smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=C[C@@H]1C[N@+]2(C)CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 252441361 SJTSZVLGFLZBFK-ZYLDRMEDSA-N 339.459 3.318 30 50 EGEA Cc1cscc1N/C(O)=N/C[C@@H]1CCN(C)[C@H]1c1cccnc1 328634538 UDBQTQCIRSTXQG-HOCLYGCPSA-N 330.457 3.470 30 50 EGEA CCOC(=O)c1c(N)sc2c1CC[C@](C#N)(c1ccccc1)C2 287357 UXAPCTLVLBWJTE-SFHVURJKSA-N 326.421 3.457 30 50 EGEA Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1[C@@H](C)CCC[C@H]1C 253534703 YZFDQWPDMUUBNQ-WURKVNMJSA-N 343.471 3.491 30 50 EGEA Cn1cc(-c2cccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)c2)cn1 167368481 JYLDCLJRJWARBS-UHFFFAOYSA-N 333.351 3.479 30 50 EGEA N#Cc1c[nH]c(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1 187354264 SNHPDKIYWUJALJ-UHFFFAOYSA-N 343.799 3.234 30 50 EGEA CCCCn1c(N)[n+](CC(=O)c2ccc(OC)cc2)c2ccccc21 1776880 CVMVJWKVDKEFOF-UHFFFAOYSA-O 338.431 3.203 30 50 EGEA COc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(F)cc2)cc1 443575 RCTFKTKAHCETDG-KRWDZBQOSA-N 341.338 3.323 30 50 EGEA C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC/C2=C/CO 118924698 FIMYJWIQTVIDQB-XCWGVBQFSA-N 328.452 3.184 30 50 EGEA COc1ccc(NC[C@@H](C#N)C(=O)NCc2ccc(Cl)cc2)cc1 31603 AYJPJHUNIUMUIK-CQSZACIVSA-N 343.814 3.217 30 50 EGEA N#Cc1c(F)cccc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1 370389440 QMJPBQOPKVEZLN-LJQANCHMSA-N 338.382 3.283 30 50 EGEA C#CC(C)(C)n1cc(Oc2ccccc2)c(=O)c(C(=O)OCC)c1 55414141 JTIOYXWYDIRWAZ-UHFFFAOYSA-N 325.364 3.186 30 50 EGEA C[C@@](O)(/C(O)=N/CCc1nc(-c2ccc(Cl)cc2)no1)C1CCC1 328595475 WDFNZAPPAVEGTP-KRWDZBQOSA-N 349.818 3.440 30 50 EGEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)[C@@H](C)c2cccnc2)cn1 328645505 ZSIPUHGAOLCREA-RRQGHBQHSA-N 328.416 3.278 30 50 EGEA C=CCc1ccccc1OCCOc1ccccc1/C=N/n1cnnc1 2878794 IUQLLMSSNTUUQX-OEAKJJBVSA-N 348.406 3.347 30 50 EGEA Cc1cc2cc(S(=O)(=O)N(C)[C@H](C)CC#N)ccc2nc1Cl 292949916 BLUZQTVAWWRTQR-LLVKDONJSA-N 337.832 3.119 30 50 EGEA C=CCn1c(SCc2cncn2C(C)C)nnc1C1CCNCC1 426715797 BBIJWXCWPDKMCI-UHFFFAOYSA-N 346.504 3.001 30 50 EGEA Cc1nc(C)c(C(=O)O[C@@H]2CCCN(c3ccc(F)cc3C#N)C2)o1 191606376 RPQXUPGWDKCXRH-OAHLLOKOSA-N 343.358 3.128 30 50 EGEA C=CCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1 12343775 AVNRCXQMBCBCQF-SDNWHVSQSA-N 330.771 3.006 30 50 EGEA N#Cc1ccccc1NC(=O)COc1ccccc1Br 5999999 VORVZWNTICPQKE-UHFFFAOYSA-N 331.169 3.338 30 50 EGEA N#Cc1cc(Oc2ccc([N+](=O)[O-])c(F)c2)c([N+](=O)[O-])cc1C#N 4697958 UIVMAGYYGQOHHS-UHFFFAOYSA-N 328.215 3.178 30 50 EGEA CCn1c(NC(=O)[C@H]2CCOc3ccccc32)nc2cc(C#N)ccc21 132119045 ZQIVPUSEVLKERI-HNNXBMFYSA-N 346.390 3.433 30 50 EGEA O=C1C(=NO)c2ccccc2[N+]1CCOc1cccc2ccccc12 343516936 KCNYMQHIGSOHRK-UHFFFAOYSA-N 332.359 3.409 30 50 EGEA C[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2[C@H](O)C[C@]3(C)[C@@H](CC[C@]3(C)O)[C@@H]12 257358325 SUKMOMANEUHOTO-MNJZNFBESA-N 332.484 3.486 30 50 EGEA CC[C@@H]1C[C@@H](CC(=O)N[C@]2(C#N)CCc3ccccc3C2)CCO1 274443941 FRECXDWADVTFLT-QKYXUNIQSA-N 326.440 3.149 30 50 EGEA N#CCC(=O)Nc1nc(Cc2ccccc2Br)cs1 122128203 DBVYGWQQYSODEZ-UHFFFAOYSA-N 336.214 3.349 30 50 EGEA C[C@H](O)c1nc2cc(-n3ccnc3-c3ccccc3C#N)ccc2n1C 1772810220 JDHSXHHBCRIVLV-ZDUSSCGKSA-N 343.390 3.351 30 50 EGEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2ncc(Cl)c(C)c2C#N)C1 888102724 IUNLCONVXMANTQ-DOMZBBRYSA-N 345.834 3.221 30 50 EGEA N#Cc1ccccc1-c1ccccc1C(=O)N1[C@H]2CC[C@H]1CC(O)C2 118715624 ZSKMHDQNOWVJBC-HOTGVXAUSA-N 332.403 3.353 30 50 EGEA CC(C)[C@@H](C#N)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 347321399 YFMRXFRHVCKHFA-LLVKDONJSA-N 338.289 3.033 30 50 EGEA N#CC1(C#N)[C@@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@H](c1cccs1)O3 245234532 BVAZBPHICLDVKX-WRFANHODSA-N 338.392 3.257 30 50 EGEA OCC#Cc1csc(CN2CCCC[C@@H]2CCc2ccccn2)c1 828644604 KKLIGUXWBILDIJ-LJQANCHMSA-N 340.492 3.474 30 50 EGEA CO[C@@H](C)CS(=O)(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 193319936 UVJQDHBMRJMUCX-ZDUSSCGKSA-N 346.408 3.127 30 50 EGEA CC(=C1C(=O)c2ccccc2C1=O)N1CCN(Cc2ccccc2)CC1 4278505 KXCUORFRYALYLF-UHFFFAOYSA-N 346.430 3.157 30 50 EGEA C[C@H](/N=C(/O)N1CC[C@@]2(C1)OCc1ccccc12)c1cncc(F)c1 329989245 VBUWAVMVMLONMK-DJJJIMSYSA-N 341.386 3.327 30 50 EGEA CCn1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)cc1C#N 67822107 WHRLBAHDPIIYQN-UHFFFAOYSA-N 329.363 3.268 30 50 EGEA O=S(=O)(c1ccccc1)[C@@H]1C[C@H]2C[C@H]1[C@]13O[C@@]21[C@H]1CC[C@H]3[C@@H]2C[C@@H]12 257357103 MAUQNJAGWDVDED-AWXLNAGXSA-N 342.460 3.052 30 50 EGEA Cn1ncc(C2CCC2)c1/C=C/C(=O)c1cc(Br)no1 888099503 NMBPXPMMAXQKAR-AATRIKPKSA-N 336.189 3.334 30 50 EGEA CO[C@H](c1ccc(F)cc1)[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C#N 271376594 QKFKTRWFCPHLNB-BMIGLBTASA-N 330.319 3.189 30 50 EGEA CC1(C)OB(c2cccc(C(=O)Nc3ccc(F)cc3)c2)OC1(C)C 169746650 SNPZVDHDRQNRNU-UHFFFAOYSA-N 341.191 3.377 30 50 EGEA in-vitro C=CCCC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 15078023 VDWUQUDSENNRBG-HXUWFJFHSA-N 344.430 3.133 30 50 EGEA N#Cc1cnc(N2CCc3c(ncn3-c3ccccc3)C2)c(Cl)c1 349869458 SBVXDMXLYJHUQA-UHFFFAOYSA-N 335.798 3.355 30 50 EGEA CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328654458 XLYPBLCLMVEREI-PXNSSMCTSA-N 338.430 3.217 30 50 EGEA CC#CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 253392274 KPEWYHDPBYGRER-YOEHRIQHSA-N 338.373 3.228 30 50 EGEA N#Cc1c(N2CC[C@H](Cc3ccncc3)C2)nc2cc(Cl)ccn12 376409065 RNJLKECQLSCKPJ-CQSZACIVSA-N 337.814 3.323 30 50 EGEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(c2ccncc2F)C1 1875249576 DPUWQTDSOHJZAO-OAHLLOKOSA-N 341.386 3.396 30 50 EGEA CN1CCc2nc(SCCOc3ccccc3)c(C#N)cc2C1 20000410 PVINTFPXPQAQMT-UHFFFAOYSA-N 325.437 3.112 30 50 EGEA Cc1ccoc1C(=O)NC[C@@H]1CCCN(Cc2ccccc2C#N)C1 67773857 SXOVOJGGLUSCAW-INIZCTEOSA-N 337.423 3.102 30 50 EGEA CC(C)Cc1cc(C(=O)N(CC#Cc2ccccc2)C2CC2)n(C)n1 65383147 YVKQOCPCXVZCQE-UHFFFAOYSA-N 335.451 3.275 30 50 EGEA [N-]=[N+]=Nc1cc([N+](=O)[O-])cc2c1C(=O)N(Cc1ccccc1)[S@@]2=O 245257019 VTERQTXNYMKNAR-XMMPIXPASA-N 343.324 3.215 30 50 EGEA Cc1nn(C)c(C)c1[C@H](C)/C(O)=N/Cc1nnc(C2CC2)n1C1CC1 329849885 NVTSJWDJTSSMCO-JTQLQIEISA-N 342.447 3.101 30 50 EGEA C#CCCC1(CCNC(=O)c2sc(CC(F)(F)F)nc2C)N=N1 1875381337 RFBOVLUSGVVPQY-UHFFFAOYSA-N 344.362 3.252 30 50 EGEA C[C@H]1c2ccc(Cl)n2CCN1C(=O)CC/N=C(/O)OC(C)(C)C 328593386 NXPRDPJEIWNFST-NSHDSACASA-N 341.839 3.164 30 50 EGEA Cc1c(C#N)cccc1NC(=O)NC1CCN(c2nccs2)CC1 366866494 RRIVBWCSKLRYCS-UHFFFAOYSA-N 341.440 3.114 30 50 EGEA Cc1cc(C(O)=Nc2c3c(nn2C)CCC3)c2cnn(C(C)C)c2n1 329222060 VSZHTEVIQHQRMD-UHFFFAOYSA-N 338.415 3.179 30 50 EGEA FC(F)(F)c1ccccc1C=NN1CCN(c2ccccn2)CC1 238901308 LHCBEAIBSLDLTG-UHFFFAOYSA-N 334.345 3.257 30 50 EGEA C[C@@H](NCc1cccc(CN2CCOCC2)c1)c1ccc(C#N)cc1 181530467 JGOJDJBTGCUCHN-QGZVFWFLSA-N 335.451 3.241 30 50 EGEA CCCCCS(=O)(=O)Cc1cc(C#N)ccc1Br 191723571 QGHBIAGEAFFKLS-UHFFFAOYSA-N 330.247 3.426 30 50 EGEA O=[N+]([O-])c1cc(/C=N/N2CCN(c3ccccc3)CC2)ccc1Cl 232112 KIROLPJDXHFBPF-CPNJWEJPSA-N 344.802 3.404 30 50 EGEA CCc1c(C#N)c(N)nc2sc(C(=O)c3cccs3)c(N)c12 19534946 QUSZQSCNKKIYKJ-UHFFFAOYSA-N 328.422 3.187 30 50 EGEA N#Cc1cnc(Nc2cnn(Cc3cc(F)ccc3Cl)c2)cn1 2325841545 ZHPASHNKELWIQP-UHFFFAOYSA-N 328.738 3.129 30 50 EGEA COCCNC(=O)c1ccc(-c2nc3ccccc3c(C)c2C#N)cc1 2356150003 HQIAICTWQKBMQO-UHFFFAOYSA-N 345.402 3.458 30 50 EGEA O=C1CCCC2=C1C(c1ccncc1Cl)C1=C(CCCC1=O)N2 25694854 AQVROVNQBCNBKP-UHFFFAOYSA-N 328.799 3.436 30 50 EGEA Cc1ccnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1C#N 253426719 OCROMNLKAZSMHR-SFHVURJKSA-N 325.387 3.351 30 50 EGEA COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)c(OC)c1OC 35298931 ZINXQOBUHIPKGO-UHFFFAOYSA-N 339.395 3.107 30 50 EGEA N#Cc1ccc(F)cc1CN1CCCC[C@H]1c1nnc2n1CCCC2 159235551 OMNWZIACYKFTCG-KRWDZBQOSA-N 339.418 3.352 30 50 EGEA CC1(C)OB(c2ccc(C(=O)OCc3ccccc3)cc2)OC1(C)C 169979465 OJRYYUUOHDTXEW-UHFFFAOYSA-N 338.212 3.343 30 50 EGEA in-vitro COC1(OC)CC2(CN(c3ncc(C#N)cc3Cl)[C@H]2C(C)C)C1 952877184 MGBXLRNXLKEXNB-AWEZNQCLSA-N 335.835 3.221 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(C)n1 100231420 DMGSUCAJDRTLFG-SFHVURJKSA-N 340.423 3.167 30 50 EGEA Cc1cccc(F)c1N=C(O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 328596141 UZEKYMSBJKBWQU-UHFFFAOYSA-N 343.406 3.102 30 50 EGEA N#CC1(C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CCCC1 123476486 UFZDNUWTWRSLSG-UHFFFAOYSA-N 349.316 3.309 30 50 EGEA N=C(O)N1CCC[C@H]1/C(O)=N/[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 330014925 BGHIOSIXDVGJEH-XQQFMLRXSA-N 339.342 3.058 30 50 EGEA CN(C)C[C@H]1COCCN(Cc2ccccc2C#Cc2ccccc2)C1 72161219 WQPGPQIREYWDKV-OAQYLSRUSA-N 348.490 3.096 30 50 EGEA C=C1CCN(C(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 1775987849 IUQXDVULGAIWDS-UHFFFAOYSA-N 349.232 3.187 30 50 EGEA O=C1CCCC2=C1C(c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 19863602 AQPOJANDYZTULW-UHFFFAOYSA-N 338.363 3.296 30 50 EGEA COc1ccc(/C(N)=N/OC(=O)COc2ccc(C(C)C)cc2)cc1 4318735 KFRKUSSAVOZBSF-UHFFFAOYSA-N 342.395 3.061 30 50 EGEA COc1ccccc1-c1nnc(S)n1/N=C/C=C/c1ccco1 6166191 IZTLPMUTDOVFHX-ZUCBPKHASA-N 326.381 3.383 30 50 EGEA Cc1ccc(C(=O)ONC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 204676 PLBYSLCUNVLOMC-UHFFFAOYSA-N 334.715 3.058 30 50 EGEA CCOC(=O)[C@H](C#N)[C@]1(c2ccc(OC)cc2)CCOC(C)(C)C1 209742 GHWOYMJONOHRTR-QFBILLFUSA-N 331.412 3.225 30 50 EGEA CCc1c(C)sc(NC(=O)c2cc(C(F)(F)F)nn2C)c1C#N 2747870 IKRGVCLRXFUIJO-UHFFFAOYSA-N 342.346 3.495 30 50 EGEA C#CC(=O)Nc1cc(OC)c(C(=O)N[C@H]2CCCC[C@H]2C)cc1Cl 1875387859 BCHLZFABNOYXPT-RISCZKNCSA-N 348.830 3.229 30 50 EGEA N#C[C@H](NC(=O)c1ccn2ccnc2c1)c1ccc2ccccc2c1 1875365148 OBXBMGHBNFWTJF-SFHVURJKSA-N 326.359 3.482 30 50 EGEA C=CCOc1ccc2ccccc2c1CNCCCN1CCOCC1 19922640 PFYNDXDDRGSFNJ-UHFFFAOYSA-N 340.467 3.217 30 50 EGEA Cc1sc(NC(=O)[C@H]2CC(Cl)=CC[C@H]2C(=O)O)c(C#N)c1C 310803 GFZMQNUBHCITLC-MNOVXSKESA-N 338.816 3.409 30 50 EGEA COc1ccccc1/C=C/c1nc(C#N)c(NCCCn2ccnc2)o1 4809878 AQFFNYLSMIPLQH-BQYQJAHWSA-N 349.394 3.424 30 50 EGEA N#CC1(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CCCCC1 144398468 UHWHIVUFAHUCAB-UHFFFAOYSA-N 326.375 3.102 30 50 EGEA O=S(=O)(O/N=C1/CCCc2occc21)c1ccc(Cl)cc1 6221853 VMWVVIPXLUGVQP-SSZFMOIBSA-N 325.773 3.379 30 50 EGEA CC1(C)C[C@@H](/N=C(/O)c2nc(F)ccc2Br)CCO1 328592876 XFJYSVBTRPBLHL-QMMMGPOBSA-N 331.185 3.245 30 50 EGEA Cc1ccc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)nc1C#N 328587892 HSIIBFNEUZJFJM-MRXNPFEDSA-N 345.349 3.441 30 50 EGEA C=C[C@H]1C[N@@+]2(C)CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 252462454 SJTSZVLGFLZBFK-WPSJWVAYSA-N 339.459 3.318 30 50 EGEA biogenic Cc1[nH]c(CN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1C#N 584900205 FBSAJJKABMSGOW-UHFFFAOYSA-N 329.831 3.332 30 50 EGEA N#Cc1nccc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1 408522085 CPTDEICEGPWURX-GFCCVEGCSA-N 325.441 3.068 30 50 EGEA NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(F)c(Cl)c1 8844426 KXGVFKVKZYCGDD-UHFFFAOYSA-N 342.761 3.072 30 50 EGEA C#CCCC1(CCC(=O)N(C)C[C@@H](C)N(C)Cc2ccccc2)N=N1 2325900646 CZFKHDRKMPDUIS-QGZVFWFLSA-N 340.471 3.321 30 50 EGEA C=CCn1cc(CN2CCc3[nH]cnc3[C@H]2Cc2ccccc2)cn1 67713035 AFJBNRJUZYPEHU-LJQANCHMSA-N 333.439 3.134 30 50 EGEA C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1cc(C#N)cn1C 215513067 RCWHURMEZQWAMP-CYBMUJFWSA-N 333.395 3.120 30 50 EGEA CC1(C)OB(c2cc(F)c(C(F)(F)F)cc2[N+](=O)[O-])OC1(C)C 216705062 DRBVXMGTLRVVEG-UHFFFAOYSA-N 335.062 3.052 30 50 EGEA N#C[C@H](C(=O)c1ccc(Cl)c(F)c1)c1nnc2n1CCCCC2 161985158 ONIVDCOWLJJVDA-LLVKDONJSA-N 332.766 3.287 30 50 EGEA C=CCn1nc(C)c(CN2CCC(Cc3ccc(O)nc3)CC2)c1C 1772813329 XCEKWXOJBBDUTP-UHFFFAOYSA-N 340.471 3.241 30 50 EGEA C=CCNC(=O)Cc1c2c(n(CC(C)C)c1C)CC(C)(C)CC2=O 12073494 BFMTYSRFJAXHMQ-UHFFFAOYSA-N 330.472 3.452 30 50 EGEA COc1ccccc1[C@@H](C#N)NC(=O)c1sc(CC2CC2)nc1C 170608859 OPOCBUOPPMJMLI-CQSZACIVSA-N 341.436 3.407 30 50 EGEA CC(C)(C)OC(=O)n1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 169743718 MMXDKXUKSKMROG-UHFFFAOYSA-N 344.220 3.119 30 50 EGEA in-vitro CCCCc1cc(=O)oc2c(C)c(O)c(C(=O)/C=C/N(C)C)cc12 13690761 RWTYWTHJVJESKV-CMDGGOBGSA-N 329.396 3.408 30 50 EGEA CCOc1ccc(-c2c(C#N)c(N)nc3sc(C#N)c(N)c23)cc1 19880086 KLZTUGXTLNZPNY-UHFFFAOYSA-N 335.392 3.270 30 50 EGEA N#Cc1ccccc1C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 67513644 DBJAHGICAGUWKF-UHFFFAOYSA-N 346.365 3.098 30 50 EGEA COc1ccccc1CC1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1 263782396 IPIPTWVMGMABPH-UHFFFAOYSA-N 349.434 3.365 30 50 EGEA CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]45O[C@]35CC[C@@]12C 257346478 JLQLCPKXYHMMHD-UXXOSCIKSA-N 330.424 3.335 30 50 EGEA Cc1ccn2cc(CNCc3ccc(C#CC(C)(C)O)s3)nc2c1 952869773 OCHKQCXXDANJJL-UHFFFAOYSA-N 339.464 3.116 30 50 EGEA CC1(C)OB(c2cccc3nn([C@@H]4CCCCO4)cc23)OC1(C)C 169984384 RSQIEDANVHBVHU-INIZCTEOSA-N 328.221 3.035 30 50 EGEA in-vitro CCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1 3142510 JUJQCSZKMHUDES-XMHGGMMESA-N 346.452 3.486 30 50 EGEA N#Cc1ccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)F)c(F)c1 344337039 CDOIUFHMJGIDFC-DLBZAZTESA-N 334.341 3.024 30 50 EGEA N#C[C@@H]1CSCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 252512666 UJWKHXKGJJZQCC-KGYLQXTDSA-N 340.370 3.276 30 50 EGEA COc1cc(N[C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)cc(OC)c1 332360531 UXHNQNAJGZMBJB-ZMSDIMECSA-N 329.444 3.272 30 50 EGEA Cc1ccc(NC(=O)N2CCC(O)(c3ccccc3)CC2)cc1C#N 96149017 NQWZLIIETZYWHQ-UHFFFAOYSA-N 335.407 3.382 30 50 EGEA N#Cc1cc(N(Cc2ccccc2)C[C@@H](O)c2cccs2)ncn1 408514527 KYZJZAWXKYUOAH-MRXNPFEDSA-N 336.420 3.150 30 50 EGEA Cc1c(C(=O)N2CCC(C#N)(c3ccccc3)CC2)nc2ccccn12 1857670225 BPYCHNHRBQWQFN-UHFFFAOYSA-N 344.418 3.340 30 50 EGEA N#C[C@@H](NC(=O)c1ncncc1Cl)c1ccccc1C(F)(F)F 1857531289 DSNVQAMUOVZRFL-LLVKDONJSA-N 340.692 3.143 30 50 EGEA N#Cc1ccc(F)c(CNS(=O)(=O)C2=Cc3ccccc3CC2)c1 173742242 DWGACXVLYYXCBZ-UHFFFAOYSA-N 342.395 3.104 30 50 EGEA N#Cc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(F)cc2)cc1 36357284 UVZXADANCTXZGR-MRXNPFEDSA-N 332.338 3.357 30 50 EGEA COc1cc(NC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc(OC)c1 293931268 YWJBTWSEQFAWRK-PBHICJAKSA-N 329.444 3.272 30 50 EGEA CC(C)c1ccc(C#N)c(N2CC[C@@]3(CCCN(C(C)C)C3=O)C2)n1 91663741 QVRJVTHONJRWSI-FQEVSTJZSA-N 340.471 3.304 30 50 EGEA CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2cccc(C#N)c2)CC1 255190401 XBDOKNWCBLNDLW-QAQDUYKDSA-N 329.444 3.484 30 50 EGEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1(c2ccnc3ccccc23)CC1 867997906 MCWHQMJCCUIAJT-DNVCBOLYSA-N 336.435 3.364 30 50 EGEA C=C(C)COc1cccc(NC(=O)N(C)CCNCC(F)(F)F)c1 1875273870 YTWYTNAFVIXPTN-UHFFFAOYSA-N 345.365 3.257 30 50 EGEA C=C(Cl)CS(=O)(=O)NC[C@H](C)c1nc2ccccc2s1 170608427 IPIMCJXGQRYAAL-VIFPVBQESA-N 330.862 3.072 30 50 EGEA COc1cc(C#N)ccc1OC[C@H]1CCCN(c2ccncc2F)C1 1875249575 DPUWQTDSOHJZAO-HNNXBMFYSA-N 341.386 3.396 30 50 EGEA Cc1cc(N2CCN(c3nc4ccccc4o3)CC2)nc(C)c1C#N 2356150962 KKBJRCHIJGWQPT-UHFFFAOYSA-N 333.395 3.038 30 50 EGEA Cc1ccsc1CN(CCN(C)C)Cc1ccc(C#CCO)s1 55344077 YPEFUWLQUZJJCT-UHFFFAOYSA-N 348.537 3.026 30 50 EGEA CC(C)CCn1ncc(N/C(O)=N/C2CCN(C)CC2)c1C(C)C 331108023 JTNCLMPAICKVFO-UHFFFAOYSA-N 335.496 3.473 30 50 EGEA N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)c1 333685887 LWMVKNVRQKNMRZ-XJKSGUPXSA-N 336.844 3.021 30 50 EGEA CN(Cc1ccc(C#CC(C)(C)O)s1)C[C@@H]1Cc2ccccc2O1 670445998 NZJUMFUOZXKVND-INIZCTEOSA-N 341.476 3.306 30 50 EGEA Cn1cc(C#N)cc1C(=O)N1CCCCC[C@@H]1[C@H]1CCCCC1=O 164561466 RVGRMMCZTMJXCK-HZPDHXFCSA-N 327.428 3.041 30 50 EGEA COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2sccc2C#N)c1 190890944 YJFMYJSULPWRCJ-JSGCOSHPSA-N 328.393 3.379 30 50 EGEA CC[C@H](CC#N)NC(=O)c1c(C)ccc(Br)c1OC 424793540 ZVWDIEGKKLGGHI-SNVBAGLBSA-N 325.206 3.188 30 50 EGEA Clc1ccc(N2CCN(/N=C\c3ccc4c(c3)OCO4)CC2)cc1 5034343 OPNFKHMOTOXEBB-NDENLUEZSA-N 343.814 3.225 30 50 EGEA C=CCc1cc2c(C)cc(=O)oc2c(I)c1O 470438 OOUJYQSGDDZVRA-UHFFFAOYSA-N 342.132 3.140 30 50 EGEA COc1cccc(C[C@H](C)/N=C(/O)N2CCC[C@@H]2c2noc(C)n2)c1 329413653 YQASYNCHSCHMDO-BLLLJJGKSA-N 344.415 3.069 30 50 EGEA N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 252537653 LYGRVSZXIURWDT-PWRODBHTSA-N 345.446 3.199 30 50 EGEA N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 376014662 NTOXUURKOALYKD-CQSZACIVSA-N 333.382 3.032 30 50 EGEA N#Cc1ccc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1F 290297278 YLHRBOMKYOBOOF-CQSZACIVSA-N 338.386 3.345 30 50 EGEA Cl/C(C=NN1CCN(c2ccccn2)CC1)=C\c1ccccc1 245228730 DIVHNASUCKLCEI-UVPZNFJVSA-N 326.831 3.469 30 50 EGEA N#Cc1ccc(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1Cl 182255757 UEVLNWXSOWJJNH-AWEZNQCLSA-N 343.770 3.027 30 50 EGEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(c2nnc(C)s2)C1 1875248675 FSGPOUXHWOPHBH-CQSZACIVSA-N 344.440 3.022 30 50 EGEA COc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccc(Cl)cc2)cc1 6493623 FPKFDSMSUOTFNG-OAHLLOKOSA-N 343.766 3.215 30 50 EGEA CCn1cc(-c2cc(-c3ccc(O)c(OC)c3)nc(N)c2C#N)c(C)n1 67965341 MDSQJSCMUUZZNK-UHFFFAOYSA-N 349.394 3.109 30 50 EGEA C=C[C@@H](COC)NC(=O)N1CCC2(CC1)C(C)=Nc1ccccc12 1352053424 FTQKRWGHRMOBFL-HNNXBMFYSA-N 327.428 3.037 30 50 EGEA O=C(O)C[C@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O 1277566 YHPXYKMSQIMFLO-IAFNSTAXSA-N 326.377 3.297 30 50 EGEA O/C(=N/[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@@H]1C[C@H]1c1nc[nH]n1 328587957 KKJHVSUAKZSXMI-UMSGYPCISA-N 347.216 3.183 30 50 EGEA CC[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ncccc1C 2325745994 QIKHFIRZFCESJY-OALUTQOASA-N 348.450 3.104 30 50 EGEA C=CCNc1ccccc1C(=O)N(C)C[C@@H]1CC(=O)N(C(C)(C)C)C1 55211483 FHNURELCTQVGLO-HNNXBMFYSA-N 343.471 3.004 30 50 EGEA O=S(=O)(O[C@@H]1CC[C@H]2CC[C@@H]21)c1ccc(Br)cc1 104949362 ICMSWNALDAFPPO-JIMOISOXSA-N 331.231 3.343 30 50 EGEA C=CCN(Cc1ccccc1C)C(=O)[C@H](C)Cn1nc(C)nc1C 55053613 MHPMJQBBBBZZBO-OAHLLOKOSA-N 326.444 3.054 30 50 EGEA N#Cc1csc(CNC[C@H]2CCc3nc(C(F)(F)F)cn3C2)c1 328646935 SXDOSPJQNNEVKS-SNVBAGLBSA-N 340.374 3.187 30 50 EGEA Cc1cnc([C@H](C)/N=C(/O)Nc2cn(C)nc2C(F)(F)F)s1 331328611 RCJSEMBTOWDEFE-ZETCQYMHSA-N 333.339 3.291 30 50 EGEA CCCn1cc(-c2cc(-c3ccc(O)cc3)c(C#N)c(N)n2)c(C)n1 71764260 SWDSBKBGOFPAPL-UHFFFAOYSA-N 333.395 3.490 30 50 EGEA N#Cc1ccc(CC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 287785803 IQODJSYUNNSMQV-NJDAHSKKSA-N 346.430 3.132 30 50 EGEA Oc1cccc(C=NN2CCN(Cc3ccccc3Cl)CC2)c1 239046890 FYTPQPDGPHCLLX-UHFFFAOYSA-N 329.831 3.197 30 50 EGEA COc1ccc(/C=N/OCC(=O)O[C@H]2c3ccccc3C[C@H]2F)cc1 1875266510 HUIIFMMNDHBJFH-YAUSOUDHSA-N 343.354 3.224 30 50 EGEA Cc1ccc(C#N)c(N2CCC(O)(c3ccccc3Cl)CC2)n1 277690920 FWZVRHHRAGLOAQ-UHFFFAOYSA-N 327.815 3.403 30 50 EGEA Cc1ncsc1CN(C)C[C@H]1CCN(Cc2cccc(C#N)c2)C1 190465403 XSXAJIYKLOAMBB-GOSISDBHSA-N 340.496 3.277 30 50 EGEA Cc1ccc(C(=O)O/N=C(\N)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 5073118 DXVXSSHGNOLJBK-UHFFFAOYSA-N 333.731 3.034 30 50 EGEA C=CCSc1nnc(-c2nnc(SCC=C)n2CC)n1CC 2701970 OTUFHJMITYXLMJ-UHFFFAOYSA-N 336.490 3.133 30 50 EGEA Cc1ccc(C[C@@H]2S/C(=N/N=C/c3cccs3)NC2=O)cc1 4898098 PCLIZMOSWCLVTC-FBJMNJBLSA-N 329.450 3.221 30 50 EGEA OC(=Nc1ccc2ccoc2c1)N1CCC[C@@H](CN2CCOCC2)C1 328655182 MOTUVVOITMVBON-HNNXBMFYSA-N 343.427 3.023 30 50 EGEA CC(C)(C)OC(=O)N1CCC(/N=C(/O)N2CC3(CCCC3)C2)CC1 328596127 TZMUXUMWKLJWJW-UHFFFAOYSA-N 337.464 3.176 30 50 EGEA COc1ccc(OC2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 77503986 UZDXGRRXGYWYHL-UHFFFAOYSA-N 336.391 3.250 30 50 EGEA C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1C[C@H]1OC(=O)C=C12 257357979 RBULKOMEEZXUGR-FYBFFCPCSA-N 340.419 3.159 30 50 EGEA CCc1nc2ccccc2n1[C@@H]1CCCN(c2cc(C#N)ncn2)C1 952877100 LPPAVDRJRNDXHS-OAHLLOKOSA-N 332.411 3.102 30 50 EGEA N#Cc1cccc(C#N)c1N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 302909237 YMEMDLDCOZJQSC-CQSZACIVSA-N 345.328 3.487 30 50 EGEA COc1ccccc1[C@@H]1C(C(C)=O)=C(O)C(=O)N1c1ccc(F)cc1 273561 FJTXVAFBMSTRJH-QGZVFWFLSA-N 341.338 3.323 30 50 EGEA C=C(C)COc1c(I)cc(C=O)cc1OC 1056913 FEJBDZLBARSQON-UHFFFAOYSA-N 332.137 3.067 30 50 EGEA N/C(=N\OC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccnc1 4899010 RUMKQARJATWYTO-UHFFFAOYSA-N 331.375 3.155 30 50 EGEA N#CCc1ccc(CN2CCOC[C@H]2CC(=O)c2cccs2)cc1 225452846 ICHIIUNRQLUZDR-QGZVFWFLSA-N 340.448 3.288 30 50 EGEA CC1(C)OB(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cc2)OC1(C)C 170005736 SEFRCQUSRWMJPX-UHFFFAOYSA-N 338.138 3.395 30 50 EGEA N#Cc1ccc(N2CC[C@@H](OC(=O)c3ccc4cc[nH]c4c3)C2=O)cc1 170621052 KYIXRJHEJQGMDK-GOSISDBHSA-N 345.358 3.002 30 50 EGEA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cccc2ccccc12 245380750 KCWQNWPQOBZSRR-INLHMWBXSA-N 342.398 3.227 30 50 EGEA COc1cc(C(=O)/C=C/Nc2cccc(O)c2)cc(OC)c1OC 459152 BIXCTNOEDVSNNT-BQYQJAHWSA-N 329.352 3.227 30 50 EGEA O=C(O)c1ccccc1/C=N/n1c(-c2ccccc2F)n[nH]c1=S 1277624 KVUQTAZUWNTWGC-GIJQJNRQSA-N 342.355 3.327 30 50 EGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 3176589 XTDLKZYNBFTMOO-CQSZACIVSA-N 347.436 3.239 30 50 EGEA N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@H](CNc2ccccn2)C1 115516602 ZYKIXCFNHDCEKZ-LBPRGKRZSA-N 347.344 3.305 30 50 EGEA C=CCN(Cc1cccc(OCC)c1)C(=O)COc1ccccc1O 55152929 WCPLIXRUBFKKDR-UHFFFAOYSA-N 341.407 3.385 30 50 EGEA C[C@@H]1CN(c2nccc(C#N)n2)C[C@H](c2cccc(C(F)(F)F)c2)O1 450538505 GRTUGQQLEOKVQE-IAQYHMDHSA-N 348.328 3.333 30 50 EGEA O=C1CCN1c1cccc(C/N=C(/O)C[C@H]2CCCCN=C2O)c1 328691958 FDRQBPXBLBRIKV-CQSZACIVSA-N 329.400 3.027 30 50 EGEA COCCCn1nccc1[C@H]1OCC[C@@H]1C(O)=Nc1ccsc1 328605821 PIOIUAOLZIEIMI-ZFWWWQNUSA-N 335.429 3.347 30 50 EGEA CC(C)[C@@H]1OCCC[C@@H]1C/N=C(/O)N1CCC[C@H]1C1CCOCC1 329486002 QWWLXODKFMKXIU-SQNIBIBYSA-N 338.492 3.243 30 50 EGEA Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2[C@H](C#N)c2ccccc2)cn1 239761655 CKCPBWFRDVPSNB-HAGHYFMRSA-N 348.450 3.212 30 50 EGEA COc1cc(CN2CCC3(CC2)C[C@@H]3c2nnc(C)o2)ccc1C#N 367028138 DTQPTDBUNDKQES-MRXNPFEDSA-N 338.411 3.028 30 50 EGEA C#CCCC1(CCC(=O)Nc2ccccc2N2CC(C)(C)C2=O)N=N1 1875321988 DTKUYUOVYVQDEB-UHFFFAOYSA-N 338.411 3.354 30 50 EGEA C[C@@H](Sc1nc(N)c(C#N)cc1C#N)c1noc(-c2ccccc2)n1 170615480 JLJPBNVOCKSKGU-SNVBAGLBSA-N 348.391 3.310 30 50 EGEA Cc1ccc(C(=O)[C@H]2C(C#N)(C#N)C23CCC2(CC3)OCCO2)cc1 55065759 HBSAHUODWCEUJT-QGZVFWFLSA-N 336.391 3.145 30 50 EGEA Cn1cc(CN2CCC[C@@H](COc3ccc(F)cc3)C2)cc1C#N 72143035 HDJGJBZNTJOAHQ-OAHLLOKOSA-N 327.403 3.327 30 50 EGEA N#Cc1c(-c2cccn2-c2ccncc2)cc(-c2cc[nH]c2)nc1N 71712137 HVLWSDMWPNGMTR-UHFFFAOYSA-N 326.363 3.383 30 50 EGEA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O/N=C(\N)c1ccccn1 5077984 QYBPMZPKENTRAW-CYBMUJFWSA-N 341.411 3.010 30 50 EGEA Cc1noc(C2CC2)c1N=C(O)N[C@@]1(CO)CCCc2ccccc21 328589011 ZXKHFPGLUZAIGU-LJQANCHMSA-N 341.411 3.220 30 50 EGEA CCOC(=O)c1cc2c(B3OC(C)(C)C(C)(C)O3)cccc2s1 170008770 DBUVFSFDPVRNLY-UHFFFAOYSA-N 332.230 3.377 30 50 EGEA C=CCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br 1462713304 FMBSFJNZSNDOCI-UHFFFAOYSA-N 345.045 3.220 30 50 EGEA CC(C)Oc1ccc(NC(=O)Nc2ccn(CCC#N)n2)c(F)c1 186586026 ALPRZGVPMONWDG-UHFFFAOYSA-N 331.351 3.367 30 50 EGEA O/C(=N/Cc1cn2ccsc2n1)N1CCC(c2ccncc2)CC1 330267306 AKLPHILGTLQCNU-UHFFFAOYSA-N 341.440 3.084 30 50 EGEA C=CC1(CC(=O)N2C[C@@H](C)[C@@H](n3cc(C4CCCC4)nn3)C2)CC1 1875323350 FQRYDZGEBHQUCA-PBHICJAKSA-N 328.460 3.311 30 50 EGEA N#Cc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)o1 2325782358 RXQSOMJBHFCRGY-UHFFFAOYSA-N 330.771 3.488 30 50 EGEA CC(=O)C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(Cl)cc1 283382 YEURINGIJKHIBZ-OAHLLOKOSA-N 328.755 3.224 30 50 EGEA C=C(C)COc1ccccc1C(=O)NCCc1c(C)nn(CC)c1C 55036232 STWKOYHRAKXNDM-UHFFFAOYSA-N 341.455 3.447 30 50 EGEA C[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccc(F)cc1F 348009350 YSXSOAOURXBANA-DOMZBBRYSA-N 339.345 3.396 30 50 EGEA CCc1ccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c(O)c1 328588508 RQTPACYCLCVLOH-LJQANCHMSA-N 336.391 3.040 30 50 EGEA CCc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)c(C)n1 183562709 CTPLWLBHTCXCDX-UHFFFAOYSA-N 348.450 3.177 30 50 EGEA C[C@H]1CCCc2ncc(C(=O)Nc3ccc(F)cc3OCC#N)n21 1346125430 AWRLKUXHCIXVLO-NSHDSACASA-N 328.347 3.074 30 50 EGEA N#CC1(COC(=O)c2ccc(Br)cc2F)CCOCC1 170593448 QVJSTRLNXRGVDY-UHFFFAOYSA-N 342.164 3.065 30 50 EGEA CCOc1ccccc1/C=N/N1CCN(c2ccccc2OC)CC1 445820 WVXJTGDVNUVUEB-LTGZKZEYSA-N 339.439 3.250 30 50 EGEA COc1ccc(-c2nnc(S)n2/N=C/c2cccs2)cc1OC 1246324 ORKLBFRVNKYDCT-CXUHLZMHSA-N 346.437 3.195 30 50 EGEA C#Cc1ccccc1CNS(=O)(=O)Cc1ccc(F)cc1Cl 2325869322 JAQHXDLSYHIFEQ-UHFFFAOYSA-N 337.803 3.080 30 50 EGEA Cc1ccc(C(=O)Nc2nc3nc4ccccc4n3cc2C#N)cc1 388892 GBWKPEMZCOBPPM-UHFFFAOYSA-N 327.347 3.315 30 50 EGEA C=CCN(Cc1ccc(C#CCO)s1)Cc1ccccc1OC 55283279 BDJKNFHTRQSIFO-UHFFFAOYSA-N 327.449 3.289 30 50 EGEA Cc1c(CCc2ccncc2)c(=O)n2c([nH]c3ccccc32)c1C#N 100901801 BWAMMMKBCNJMHV-UHFFFAOYSA-N 328.375 3.141 30 50 EGEA C/C(=N\N=C\c1cccc([N+](=O)[O-])c1)C1C(=O)c2ccccc2C1=O 100491842 ATTRNEYJISVBGR-ROUMAOROSA-N 335.319 3.085 30 50 EGEA C=CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N(C)CCCc1ccccc1 55393461 FNSVAUAIQWUZQL-MOPGFXCFSA-N 342.483 3.186 30 50 EGEA N#Cc1cccnc1N1CCC(CO)(Cc2ccccc2Cl)CC1 67654473 JOUHMFUBZVEPAY-UHFFFAOYSA-N 341.842 3.428 30 50 EGEA N#C[C@H](C(=O)c1ccnc(-n2ccnc2)c1)c1nc2ccccc2s1 122865029 RBMAJRPSKKMJDI-CYBMUJFWSA-N 345.387 3.367 30 50 EGEA C=C(C)COc1cccc(C(=O)N(C)Cc2cn(CC)nc2C)c1 426651366 PTNQTKJREHBMKV-UHFFFAOYSA-N 327.428 3.439 30 50 EGEA N#Cc1cc(CN2CCC[C@H](c3nnc4ccccn34)C2)ccc1F 176896106 WZIADQLYEYHZRU-HNNXBMFYSA-N 335.386 3.120 30 50 EGEA COc1cc2c(NCc3ccc(C#N)cc3F)ncnc2cc1F 302560084 LDKFWGYANVMELH-UHFFFAOYSA-N 326.306 3.400 30 50 EGEA N#Cc1c(COC(=O)c2cc(-c3ccco3)[nH]n2)cn2ccccc12 170595263 FBTHPLOHZSQQTD-UHFFFAOYSA-N 332.319 3.151 30 50 EGEA C#CCCC1(CCC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)N=N1 952876396 PGWXQWFSDVROFT-LSDHHAIUSA-N 325.368 3.169 30 50 EGEA CN(C)[C@@H](C/N=C(\O)c1cc2ccccc2oc1=O)c1cccs1 28291405 OBXVKCVZDTWGHN-AWEZNQCLSA-N 342.420 3.462 30 50 EGEA N#Cc1ccsc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 328653492 WWRKDKNYRBGBBB-STQMWFEESA-N 349.456 3.024 30 50 EGEA N#C[C@@H]1CCCN(C(=O)NCc2csc(-c3ccccc3)n2)C1 426505893 SBTSSRRDCKIDKR-ZDUSSCGKSA-N 326.425 3.255 30 50 EGEA N#Cc1ccccc1C(=O)N1CCC2(CC1)OCCc1ccsc12 1704342007 BIWFEKRYESMWQW-UHFFFAOYSA-N 338.432 3.324 30 50 EGEA Cc1ccccc1-c1cc[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)cn1 5712078 BNGOMKSOUIVXOU-UHFFFAOYSA-N 334.355 3.136 30 50 EGEA Cc1ccccc1C[C@@H](C)/N=C(/O)c1cncc(N2CCOCC2)c1 330032887 TUGUWVWGCONHEE-MRXNPFEDSA-N 339.439 3.162 30 50 EGEA CC1(C)OB(c2ccc(NC(=O)c3ccccc3)cc2F)OC1(C)C 405020596 WVMZYSQFFDDVTM-UHFFFAOYSA-N 341.191 3.377 30 50 EGEA CCOC(=O)[C@@H](C#N)[C@]1(c2ccc(OC)cc2)CCOC(C)(C)C1 209741 GHWOYMJONOHRTR-VQIMIIECSA-N 331.412 3.225 30 50 EGEA CCOc1ccc(/C=C/C(=O)c2c(Br)cnn2C)cc1 6554294 WHGDPCQNRLYAAK-RMKNXTFCSA-N 335.201 3.477 30 50 EGEA COC(=O)C[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccsc1 218256154 XJYBJLOAEXJMGM-CYBMUJFWSA-N 342.372 3.286 30 50 EGEA COc1cc(N[C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)cc(OC)c1 332360529 UXHNQNAJGZMBJB-INMHGKMJSA-N 329.444 3.272 30 50 EGEA N#Cc1ccc(CC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 287785804 IQODJSYUNNSMQV-NJYVYQBISA-N 346.430 3.132 30 50 EGEA N#Cc1cccc(C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)c1 19772090 ZJZDSBFYEFAWQX-FQEVSTJZSA-N 334.419 3.014 30 50 EGEA C#CCCC1(CCC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)N=N1 952880055 BJEARTJMSJOIHA-MRXNPFEDSA-N 342.443 3.197 30 50 EGEA Cc1ccc(C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)cc1 370773 YHSUBQQQOVRBMW-UHFFFAOYSA-N 327.409 3.191 30 50 EGEA CCN(CC)c1ccc(C(=O)c2cnc(/N=C/N(C)C)s2)cc1 18022679 FBODAPOHPFTVSK-XDHOZWIPSA-N 330.457 3.442 30 50 EGEA N#C[C@@]1(NC(=O)[C@H]2CCOc3ccccc32)CCc2ccccc2C1 183976453 UFGIMVFNZFCUJW-GHTZIAJQSA-N 332.403 3.120 30 50 EGEA CC(C)(C)[C@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@H]1O 272341616 BTLNQZHNORCYFA-NWDGAFQWSA-N 327.350 3.205 30 50 EGEA CC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OCc1ccccc1 6022673 DYHQKARICUSVLA-LJQANCHMSA-N 336.391 3.483 30 50 EGEA CN(C)C(=O)c1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1Cl 253416297 XLDFMYOQCYXVHF-UHFFFAOYSA-N 345.761 3.305 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)N=N1 2325892703 XWUWTKFWAROHCH-HNNXBMFYSA-N 335.411 3.405 30 50 EGEA CC[C@H](CO)N(Cc1ccc(F)cc1)Cc1cc(C#CCO)cs1 55166109 CXAIGJBCWBZCGQ-GOSISDBHSA-N 347.455 3.004 30 50 EGEA CC(C)c1noc([C@H](/N=C(/O)[C@]2(C)CCCO2)C2CCOCC2)n1 328610855 JHSNMMSXMBTEEF-DYVFJYSZSA-N 337.420 3.186 30 50 EGEA CC(C)[C@@H](C#N)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 352693208 MZUVMWJBZGJSLL-CQSZACIVSA-N 336.317 3.169 30 50 EGEA C[C@H](C[C@@H](O)c1ccco1)NC(=O)N[C@H](C)c1cccc(C#N)c1 241231145 KSMFDXYKMMYYLQ-XJKCOSOUSA-N 327.384 3.024 30 50 EGEA C[C@H]1Cc2cc(-n3ccnc3-c3cc(C#CCO)cs3)ccc2O1 72408287 KNJDBIXBWHTYSO-ZDUSSCGKSA-N 336.416 3.268 30 50 EGEA CCCCCCCCCCCNC(=O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225632517 ZTMVRTJMXOQSMD-VQHPVUNQSA-N 337.460 3.288 30 50 EGEA N#CCc1ccc(NC(=O)NC[C@@H](O)c2c(F)cccc2Cl)cc1 741395816 REWOQLKUOCBUSX-OAHLLOKOSA-N 347.777 3.400 30 50 EGEA CCN1C(=O)[C@@](O)(CC(=O)/C=C/C=C/c2ccccc2)c2ccccc21 2062685 GMZFERDQFWXEAH-QZGVGMRUSA-N 347.414 3.470 30 50 EGEA N#Cc1cnccc1N1CCC2(CCN(Cc3ccccc3)CC2)C1 366432094 RZKVMPOSTDXOOL-UHFFFAOYSA-N 332.451 3.446 30 50 EGEA Cc1cc2cc(NC(=O)C(=O)Nc3ccc(F)c(C#N)c3)ccc2[nH]1 121690289 ZUTWQAVOAFFGKY-UHFFFAOYSA-N 336.326 3.064 30 50 EGEA Cc1cc([C@@H]2CCCN(/C(O)=N/[C@@H](C)c3cncc(F)c3)C2)n[nH]1 328752738 RZGPEIIJAUDSGZ-QWHCGFSZSA-N 331.395 3.107 30 50 EGEA CCNc1ncc(-c2cc(-c3cccc(C)c3)nc(N)c2C#N)cn1 67674144 KFQQOBMZRITTPJ-UHFFFAOYSA-N 330.395 3.400 30 50 EGEA C[C@H]1CCO[C@H](C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)C1 253416294 WWMKICYBRZNSRR-WFASDCNBSA-N 340.345 3.264 30 50 EGEA CCCn1cc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c(C)n1 91793539 ZXVDWXWMWWXPSI-UHFFFAOYSA-N 336.439 3.299 30 50 EGEA C=CCNC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 11879651 XCYMYLYOKVSOCN-UHFFFAOYSA-N 326.274 3.188 30 50 EGEA COCC1(C)CCN(C(O)=Nc2cc(C(F)(F)F)cnc2O)CC1 330638569 DAWBOWZNLFCMEE-UHFFFAOYSA-N 347.337 3.100 30 50 EGEA N#Cc1ccc(S(=O)(=O)N(CC(F)F)c2ccc(F)cc2)s1 225792491 YQHMYENYEGJZSR-UHFFFAOYSA-N 346.355 3.219 30 50 EGEA N#Cc1cccc([C@H]2CN(Cc3c(Cl)ccnc3F)CCO2)c1 1204664407 IJXRXJNAQWTYNR-MRXNPFEDSA-N 331.778 3.319 30 50 EGEA Cc1ccc(S(=O)(=O)N2CCC(C#N)(c3ccccc3)CC2)cc1 2565328 RQTVIKMRXYJTDX-UHFFFAOYSA-N 340.448 3.241 30 50 EGEA C#CCOc1ccccc1NC(=O)N1CC[C@H](CN2CCCCC2)C1 188879622 JGCNJQBMUONCRX-QGZVFWFLSA-N 341.455 3.038 30 50 EGEA CCNC(=S)N/N=C/c1ccc(OC(=O)c2ccccc2C)cc1 2521698 VKWDTARLSGRUHY-UDWIEESQSA-N 341.436 3.032 30 50 EGEA Cc1ccc(S(=O)(=O)/N=C(\c2ccccc2)N2CCCC2)cc1 2709210 HFOBGVHNBOVDLI-VHEBQXMUSA-N 328.437 3.226 30 50 EGEA CCc1nc(N2CCN(c3ccccc3C#N)CC2)c2ccsc2n1 301841783 ZFIMSWQDUCHFGM-UHFFFAOYSA-N 349.463 3.452 30 50 EGEA Cc1nnc(C/N=C(/O)[C@@H]2C[C@@]23CCOc2ccccc23)n1C1CC1 328593668 VYKVEJOYNKKEMN-HNAYVOBHSA-N 338.411 3.118 30 50 EGEA O/C(=N/C[C@@H]1CCCn2ccnc21)N1CCCC[C@@H]1c1nccs1 328598491 BGCXCAGTKKPOEQ-UONOGXRCSA-N 345.472 3.358 30 50 EGEA C=CCSC1=N/C(=C\c2cc(OC)c3c(c2)OCO3)C(=O)S1 3000824 ABLYHHAPJOFYQH-YHYXMXQVSA-N 335.406 3.313 30 50 EGEA aggregator O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccco1)n1ncnc1N2 8968906 IGBCCXRSSNBCGZ-FZKQIMNGSA-N 332.363 3.287 30 50 EGEA Cc1ccc2nc(CN3CCc4c(cnc(C)c4C#N)C3)[nH]c2c1C 67541285 IXHJJXSVJFPAJC-UHFFFAOYSA-N 331.423 3.313 30 50 EGEA N#Cc1ccc(F)cc1CN1CCOC[C@H]1C[C@@H](O)c1cccs1 161524258 AFSWUAVETVAWPY-IAGOWNOFSA-N 346.427 3.083 30 50 EGEA COc1ccc(N(Cc2ccco2)C(=O)c2cc(C#N)c[nH]2)cc1F 177880725 SICNDRDCUTZGJP-UHFFFAOYSA-N 339.326 3.474 30 50 EGEA N#Cc1ccc2c(c1)NC(=O)/C2=C/c1ccc(Cl)cc1-n1cncn1 794942487 BDVACFCVGRKYPG-GIDUJCDVSA-N 347.765 3.285 30 50 EGEA CC1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@H]5[C@@H]32)CC1 1772492718 ASHKYTHYJZVSKW-VFFFDHNBSA-N 347.499 3.244 30 50 EGEA C[C@H]1C[C@H]1c1nc(C#N)c(N2CCN(c3ccc(F)cc3)CC2)o1 1775965344 YLAMLVRGGYQEHI-SWLSCSKDSA-N 326.375 3.135 30 50 EGEA COc1nccc(/C=N/Nc2cc(C(=O)OC(C)(C)C)ccn2)c1F 1875279742 BPDDIOCWRSHMNE-UFFVCSGVSA-N 346.362 3.026 30 50 EGEA N#Cc1cn(CC(=O)Nc2ccc3c(c2)OCCCO3)c2ccccc12 9028107 NSJHFOXPOFDCCU-UHFFFAOYSA-N 347.374 3.313 30 50 EGEA C[C@@H]1Cc2cc(-n3ccnc3-c3cc(C#CCO)cs3)ccc2O1 72408286 KNJDBIXBWHTYSO-CYBMUJFWSA-N 336.416 3.268 30 50 EGEA OCC#Cc1csc(-c2nccn2-c2cccc(-c3ccn[nH]3)c2)c1 71748638 HAGMBMIAOHJPDR-UHFFFAOYSA-N 346.415 3.335 30 50 EGEA COc1ccc(-c2nc(NC(=O)CSCC#N)sc2C)cc1 298461568 ZMVODMZTLKYSCG-UHFFFAOYSA-N 333.438 3.322 30 50 EGEA CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O 38146043 YQFJJDSGBAAUPW-INIZCTEOSA-N 325.449 3.298 30 50 EGEA biogenic,in-vitro Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCC[C@@H](C)CC3)CC2)o1 194212371 BGAUPINWJJCLKZ-CJNGLKHVSA-N 344.459 3.156 30 50 EGEA N#CC(CCN1C[C@H]2C[C@H](O)[C@H]2C1)(c1ccccc1)c1ccccc1 1772704136 KJJRTMBZLTWVRO-QMMLZNLJSA-N 332.447 3.199 30 50 EGEA COc1ccc(-c2nnc(S)n2/N=C/C=C/c2ccco2)cc1 5893640 QPNUKAIDUWHRER-PAKBQEMXSA-N 326.381 3.383 30 50 EGEA COc1ccc(/C(C)=N/N2CCN(c3ccccc3)CC2)cc1OC 5605486 JNDRMBUOAAASLC-LTGZKZEYSA-N 339.439 3.250 30 50 EGEA CCn1ncc2ccc(N=C(O)N3CCC[C@@H]3C3CCOCC3)cc21 329422407 FPZWNXGOGRIXLQ-QGZVFWFLSA-N 342.443 3.493 30 50 EGEA Cc1cccnc1CN(Cc1ccccc1)C(=O)c1cc(C#N)cn1C 216081639 ZBZHQJLDNQZNQH-UHFFFAOYSA-N 344.418 3.443 30 50 EGEA C=CC[C@@]1(CO)CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1 92076855 PJROKHTYJKRQIJ-HXUWFJFHSA-N 328.456 3.078 30 50 EGEA O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1cccc3ccccc13)[C@H]1C=C[C@H]2C12CC2 245226879 QHKWURCCXMUFLW-LRRDHWBYSA-N 342.398 3.371 30 50 EGEA N#Cc1ccc(N2CCC[C@@H](N(Cc3ccncc3)C3CC3)C2=O)cc1 192709761 NJSFJRZMBLDFAH-HXUWFJFHSA-N 346.434 3.113 30 50 EGEA COc1ccc(NC(=O)CSc2ncccc2C#N)cc1Cl 7051484 QSGILEHIADVHSK-UHFFFAOYSA-N 333.800 3.346 30 50 EGEA Cc1ccccc1N1CCN(Cc2cc(C#CCO)cs2)[C@@H](C)C1 106251583 CAFPEFOKPLFBPS-KRWDZBQOSA-N 340.492 3.111 30 50 EGEA CC(C)(C)C(=O)NCC[C@@H]1CCCN(Cc2ccccc2C#N)C1 67966492 UENXZLVZAAOGFG-INIZCTEOSA-N 327.472 3.323 30 50 EGEA C[C@H](NC(=O)N[C@H]1CCO[C@H]1c1ccccc1)c1ccc(C#N)cc1 252672811 QOFZSBVWYJZGPC-JVPBZIDWSA-N 335.407 3.449 30 50 EGEA Cc1nc([C@@H]2CCCN2C(O)=Nc2cc(Cl)cc3c2OCC3)no1 328594027 JPQJPSBWOZJTIL-ZDUSSCGKSA-N 348.790 3.349 30 50 EGEA Cc1cnn([C@@H]2CCCN(c3ncc(Br)cc3C#N)C2)c1 297096739 KYQPTMARNKEJLH-CQSZACIVSA-N 346.232 3.062 30 50 EGEA CC(C)(C#N)CC(=O)N=[S@](C)(=O)c1ccccc1Br 952878333 CJQDGBHDVRYVRQ-LJQANCHMSA-N 343.246 3.372 30 50 EGEA O=C1C[C@H](c2cc(Br)ccc2F)C2=C(CCCC2=O)N1 1430817 QQWPKJLOVPEESH-SNVBAGLBSA-N 338.176 3.199 30 50 EGEA C#Cc1ccccc1CC(=O)Nc1ccc(Oc2ccncn2)cc1 2325823251 LKCJKYDDBBTGLO-UHFFFAOYSA-N 329.359 3.431 30 50 EGEA CN(CC1=CCCN(Cc2cccc(C#N)c2)C1)C(=O)c1ccco1 67473047 ZVUXRUCHRWXUFR-UHFFFAOYSA-N 335.407 3.056 30 50 EGEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)[C@H](C)c2cccnc2)cn1 328645507 ZSIPUHGAOLCREA-XOKHGSTOSA-N 328.416 3.278 30 50 EGEA COC(=O)c1ccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1 261508308 RGIUSKAKTDYOKD-UHFFFAOYSA-N 338.212 3.439 30 50 EGEA N#Cc1ccccc1CSCCNC(=O)CSc1ccncc1 170069085 KFAGXBMDNOOWER-UHFFFAOYSA-N 343.477 3.095 30 50 EGEA CCCN(C(=O)C(C)(C)C#N)c1cccc(NC(=O)C(C)(C)C#N)c1 194207233 YFNAIBQYBJAZLQ-UHFFFAOYSA-N 340.427 3.468 30 50 EGEA COc1cccc2cc(C(=O)C[n+]3ccc4ccccc4c3)c(=O)oc12 2072130 NNDFVSBTXMJDLB-UHFFFAOYSA-N 346.362 3.125 30 50 EGEA CC(C)(C#N)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 110981827 NZKMUZCCZCDXTG-CQSZACIVSA-N 337.826 3.109 30 50 EGEA Cc1cccnc1[C@H](NC(=O)c1cccc(C#CC(C)(C)O)c1)C1CC1 65533388 AWPHNBOIHYPXRZ-HXUWFJFHSA-N 348.446 3.394 30 50 EGEA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1cccc2ccccc12 245380751 KCWQNWPQOBZSRR-QUBODKCXSA-N 342.398 3.227 30 50 EGEA C#CCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OC 16193542 CBLKSYVPZGEJLP-VBKFSLOCSA-N 333.343 3.052 30 50 EGEA Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/O)cc1 16310734 MTPHCMOBPMUDKM-CXUHLZMHSA-N 325.773 3.224 30 50 EGEA Cc1cc(/C(O)=N/[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c(C)o1 82138166 HPDUKLAIVGLGIH-INIZCTEOSA-N 326.352 3.378 30 50 EGEA biogenic CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1 112856 PENKCJKEHOMKIA-KRWDZBQOSA-N 338.411 3.335 30 50 EGEA C#CCOc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 8570563 KMZIJGOAKXUYJB-UHFFFAOYSA-N 336.347 3.433 30 50 EGEA N#Cc1cccc(CNC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c1 119153645 IWAMSPNJHWQQOJ-MOPGFXCFSA-N 335.407 3.278 30 50 EGEA C=C[C@@H]1CCCCN1C(=O)c1ccc(CN2CCSCC2)cc1 252499424 SAKKNAPEBLIOOB-GOSISDBHSA-N 330.497 3.416 30 50 EGEA N#Cc1cccc(-c2csc(NC(=O)[C@H]3CCc4cn[nH]c4C3)n2)c1 161146384 HITOWUVZCLRMPZ-ZDUSSCGKSA-N 349.419 3.148 30 50 EGEA C=CC[C@]1(C(=O)O)CCCN(Cc2ccc(C(F)(F)F)nc2)C1 91745423 FIOGNQRICZJWES-HNNXBMFYSA-N 328.334 3.343 30 50 EGEA CCOC(=O)[C@H](C#N)[C@]1(Cc2ccccc2)C[C@H](C)N(C)C[C@H]1C 244685585 ISTLFIQBNBWVQL-JMVFIXPQSA-N 328.456 3.278 30 50 EGEA CC(C)(C)c1cc(NS(=O)(=O)c2cc(C#N)ccc2Cl)on1 186425855 MLQFGCHBWYOKHD-UHFFFAOYSA-N 339.804 3.298 30 50 EGEA COc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1OC 5640301 NMSFYUMYAJNDEA-VCHYOVAHSA-N 333.388 3.163 30 50 EGEA CN1CC[C@@H](C/N=C(/O)Cc2cccc(F)c2)[C@@H]1c1cccnc1 328634535 UCXOIDJPXZUPAG-LPHOPBHVSA-N 327.403 3.413 30 50 EGEA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CCc3c(C#N)cccc32)cc1 1875373465 BPWKSHKRYARQEL-LJQANCHMSA-N 345.402 3.124 30 50 EGEA Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1ccc(C#N)cc1 2325825712 ZZKKWPDEHPFZBT-UHFFFAOYSA-N 348.381 3.070 30 50 EGEA Cc1nc(-c2cccc(Cl)c2)[nH]c1C(=O)[C@H](C#N)c1nccn1C 2325859626 DMSAOIPVOQNWTQ-ZDUSSCGKSA-N 339.786 3.262 30 50 EGEA N#Cc1c(-c2cccnc2OCC(F)(F)F)cc(C2CC2)nc1N 67688573 MVLFBOGVFCNNAG-UHFFFAOYSA-N 334.301 3.416 30 50 EGEA CCn1cc(CN2CCC([C@H](O)Cc3ccccc3)CC2)cc1C#N 72427195 XVVWMOLNTVEKTB-OAQYLSRUSA-N 337.467 3.195 30 50 EGEA Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 239761659 CKCPBWFRDVPSNB-VNTMZGSJSA-N 348.450 3.212 30 50 EGEA C=CC[C@@]1(C(=O)O)CCCN(Cc2ccc(C(F)(F)F)nc2)C1 91745424 FIOGNQRICZJWES-OAHLLOKOSA-N 328.334 3.343 30 50 EGEA Cc1ncc2c(c1C#N)CCN(C(=O)c1cccc3ncsc13)C2 1940196336 DALFBVXUWPQHBU-UHFFFAOYSA-N 334.404 3.070 30 50 EGEA C=CCNC(=O)c1sc2ncnc(NCc3ccco3)c2c1C 12037451 LNCLXLUMQAVRLZ-UHFFFAOYSA-N 328.397 3.121 30 50 EGEA COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccccc2)cc1 443824 XWDOYZWMJIHMKC-SFHVURJKSA-N 337.375 3.180 30 50 EGEA C=CCN(CC=C)Cc1cc(O)c(CN(CC=C)CC=C)cc1O 4018735 ROENDVUHWVKPEA-UHFFFAOYSA-N 328.456 3.446 30 50 EGEA C=CCN(Cc1ccccc1Cl)C(=O)CN1CCCCCC1=O 55325335 XIRKNDNHXXIFTN-UHFFFAOYSA-N 334.847 3.257 30 50 EGEA Cc1csc([C@@H](C)n2ccnc2-c2cc(C#CCO)cs2)n1 71749887 FGZVGYPVACKMLQ-GFCCVEGCSA-N 329.450 3.330 30 50 EGEA Cc1cc(O)ccc1-c1cc(-c2cnn(C)c2C2CC2)c(C#N)c(N)n1 71762875 VSLVRJGJUVQEGS-UHFFFAOYSA-N 345.406 3.494 30 50 EGEA CCNS(=O)(=O)c1ccc(C)c(/C(O)=N/[C@]2(C)CC=CCC2)c1 331349857 NOKNYHSQIBYJRY-QGZVFWFLSA-N 336.457 3.097 30 50 EGEA N#CC1(CCCSc2nc(O)cc(C(F)F)n2)CCOCC1 289461838 GHILVZJHGRQFPF-UHFFFAOYSA-N 329.372 3.312 30 50 EGEA COc1cccc(C=NN2CCN(c3ccc(Cl)cc3)CC2)c1O 252320587 CASFUZZYTGCSQZ-UHFFFAOYSA-N 345.830 3.210 30 50 EGEA N#Cc1cccc(C2(NC(=O)[C@@H]3CCCc4c(O)cccc43)CC2)c1 276514357 JTNKNHPYFUGXJT-GOSISDBHSA-N 332.403 3.489 30 50 EGEA C=C(C)CN(C)Cc1cccc(OC[C@@H](O)CN2CCCCCC2)c1 12021696 LGPZXVQJJCCMIK-FQEVSTJZSA-N 346.515 3.310 30 50 EGEA Cn1nccc1[C@@H]1CCCCN1/C(O)=N/[C@@H]1CCCC12CCOCC2 328734787 YRJXKROTUJALIM-DLBZAZTESA-N 346.475 3.210 30 50 EGEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(O)c1 4660740 QNYOXXKUNYKWJS-GOSISDBHSA-N 341.407 3.313 30 50 EGEA Cc1nc(C(O)=Nc2cccc(N=C(O)NN(C)C)c2)c(C)s1 328589842 JXAICLVJHYCKBD-UHFFFAOYSA-N 333.417 3.008 30 50 EGEA N#Cc1c(-c2ccc(-n3ccnc3)cc2)cc(-c2ccc[nH]2)nc1N 71763860 OZRKLESKIRKVEL-UHFFFAOYSA-N 326.363 3.383 30 50 EGEA COC(=O)[C@H]1CCN(CCCC2(C#N)CCOCC2)c2ccccc21 282031324 QAPXYWMGLLBCOV-KRWDZBQOSA-N 342.439 3.254 30 50 EGEA CC(C)c1ccc(C#N)c(N2CCN(C(=O)OC(C)(C)C)CC2)n1 43828212 YDXALJQNKBADBC-UHFFFAOYSA-N 330.432 3.134 30 50 EGEA C=CCN(c1ccc(C(=O)O)cc1)S(=O)(=O)/C=C/c1ccccc1 239406 XPZHIQNUZLJTQG-WYMLVPIESA-N 343.404 3.378 30 50 EGEA C=CCN1C(=O)[C@@](O)(CC(=O)c2cccs2)c2cc(Cl)ccc21 5267437 AEYAJPNMBIANAJ-QGZVFWFLSA-N 347.823 3.395 30 50 EGEA C#CCCC1(CCN2C(=O)N[C@](CCC(C)C)(C3CC3)C2=O)N=N1 2325891647 TVECGBSSLKMSLW-GOSISDBHSA-N 330.432 3.089 30 50 EGEA CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(F)cc1 549407 RGYWIDQGVHRDLH-QGZVFWFLSA-N 325.339 3.310 30 50 EGEA Clc1ccc(/C=N/Nc2nnnn2-c2ccccc2)c(Cl)c1 4697722 XZCMUWXCMOZMLZ-RQZCQDPDSA-N 333.182 3.415 30 50 EGEA C=CCN(Cc1ccccc1OC)C(=O)c1cc(OC)ccc1O 55074496 XATFLOYZTQQDSU-UHFFFAOYSA-N 327.380 3.238 30 50 EGEA N#Cc1cnc(N(Cc2ccccc2)C[C@H](O)c2cccs2)cn1 127826126 XOMJFDYWXYUXNB-INIZCTEOSA-N 336.420 3.150 30 50 EGEA N#Cc1ccnc(N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)c1 285135799 SJQSPEHOMFCHSK-IUODEOHRSA-N 333.313 3.284 30 50 EGEA N#Cc1ccc(NC(=O)C(=O)N2CCCCC[C@H]2c2ccncc2)cc1 193881920 KRHPQMVUQSGLEK-SFHVURJKSA-N 348.406 3.036 30 50 EGEA Cc1c(C#N)cccc1NC(=O)NCC1CCN(c2ccncc2)CC1 181081550 MBDWVTXLVNIHKO-UHFFFAOYSA-N 349.438 3.300 30 50 EGEA C=CCOc1ccc(CN2CCC[C@@H](NC(C)=O)C2)cc1CC=C 820505665 QFLRUWQKIIZXGF-LJQANCHMSA-N 328.456 3.080 30 50 EGEA Cc1ccc([C@@H](CNC(=O)Cc2ccc(C#N)cc2)N2CCCC2)cc1 194882324 NQYVVYRUOLKFSL-OAQYLSRUSA-N 347.462 3.363 30 50 EGEA C=C(C)Cn1c(-c2cc(C(C)C)ncn2)nnc1N1C[C@@H]2CCC[C@H]21 2325771415 OLSRCSMRZDUVLX-WMLDXEAASA-N 338.459 3.423 30 50 EGEA C[C@H]1c2ccc(C#N)n2CCN1C(=O)Cc1cncc2ccccc12 2325791408 WETSHMSFGMBVSI-AWEZNQCLSA-N 330.391 3.054 30 50 EGEA Cc1ccc(-c2cc[n+](CC(=O)c3ccc([N+](=O)[O-])cc3)cn2)c(C)c1 2529507 FBAGVKOXZUPGQE-UHFFFAOYSA-N 348.382 3.444 30 50 EGEA N/C(=N\OC(=O)Oc1ccccc1)c1ccc(Br)cc1 4685100 RESNRPUCGQVYSH-UHFFFAOYSA-N 335.157 3.285 30 50 EGEA CN(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 4819274 GFUCOPPNAHPDHY-QPJJXVBHSA-N 340.335 3.286 30 50 EGEA C=C(C)COc1ccc(C(=O)N2CCCC[C@H]2C(=O)OCC)cc1 55155016 OLKVEPAEVJBIOV-KRWDZBQOSA-N 331.412 3.199 30 50 EGEA Cc1ccc(C(=O)[C@@]2(C)N(O)[C@@H](C)C(c3cccs3)=[N+]2[O-])cc1 104310605 SWEZWYGQZZMOHC-SJCJKPOMSA-N 330.409 3.048 30 50 EGEA C/N=C(/NC[C@H]1CCOC1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 119587964 DSYUYPBZFPLATN-NVXWUHKLSA-N 343.471 3.025 30 50 EGEA Cc1sc(NC(=O)c2cc(-c3cnn(C)c3C)no2)c(C#N)c1C 13641869 TZFHDWUBOCMOJC-UHFFFAOYSA-N 341.396 3.186 30 50 EGEA CCOC(=O)C1CCN(c2cccc(Br)c2C#N)CC1 95495734 ZSFMRRYGQRABPI-UHFFFAOYSA-N 337.217 3.100 30 50 EGEA C[C@@H](c1cccc(C#N)c1)N1CCN([C@H]2CCCc3c2cnn3C)CC1 170602825 QUSPEJMTMOXGFE-KKSFZXQISA-N 349.482 3.048 30 50 EGEA CC(C)Cc1nnc(NCc2cn(C)nc2-c2ccc(C#N)cc2)o1 195552742 LMMDLKLQRFAVRL-UHFFFAOYSA-N 336.399 3.152 30 50 EGEA COc1ccc(NC(=O)O/N=C/c2cc(OC)ccc2OC)cc1 289208 DVPHMXHIMXBXIT-WOJGMQOQSA-N 330.340 3.295 30 50 EGEA N#Cc1cccnc1N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 302027783 IVFSWKJCOQWFJR-INIZCTEOSA-N 330.395 3.122 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H]2[C@H]3Cc4c(Cl)cccc4[C@H]32)N=N1 952881674 QSKZNQNQRPYWCD-IAOVAPTHSA-N 327.815 3.450 30 50 EGEA C#CCCC1(CCC(=O)N2CC(C)(C)c3cc(C(=O)O)ccc32)N=N1 2325901158 WERMMMXZYGBGSR-UHFFFAOYSA-N 339.395 3.365 30 50 EGEA Cc1n(C)c2ccccc2[n+]1CC(=O)c1cccc(Br)c1 2922022 KJAGTLAJIAYVKW-UHFFFAOYSA-N 344.232 3.420 30 50 EGEA COc1ccc(C(=O)C[n+]2ccc(-c3cccc(C)c3)nc2)cc1OC 6317620 NUNXMJGVYAFINV-UHFFFAOYSA-N 349.410 3.245 30 50 EGEA CCOc1ccc(-c2cc(-c3cnn(CC)c3)c(C#N)c(N)n2)cc1 67542198 ISQWOSWRHXMREF-UHFFFAOYSA-N 333.395 3.485 30 50 EGEA C=CCn1c(SCc2cc(C(C)C)no2)nnc1C1CCNCC1 426690538 GIDRJMAESGOIMW-UHFFFAOYSA-N 347.488 3.335 30 50 EGEA COc1ccc(NC(=O)N(C)[C@@H](C)Cc2ncccc2C)cc1C#N 426599765 PWORCKZHIHQQEC-AWEZNQCLSA-N 338.411 3.365 30 50 EGEA CC(=O)N[C@H]1C(=O)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1857524698 IGQWGSCTFRUHTN-INWOFZLFSA-N 343.467 3.202 30 50 EGEA CC1(C)CN(CCOCCC#N)[C@@H]1c1nccn1-c1cccc(F)c1 952893534 UPBUJUHNZLQIKI-QGZVFWFLSA-N 342.418 3.325 30 50 EGEA COc1cccc(/C=C/c2nc(C#N)c(N3C[C@H](C)O[C@@H](C)C3)o2)c1 4867239 ZIUYEJDSIHAVFE-SWICKSTGSA-N 339.395 3.339 30 50 EGEA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](/N=C(/O)c1cn(C3CCOCC3)nn1)C2 329509554 JQZVPXODDVXZNQ-QITLCBANSA-N 332.448 3.149 30 50 EGEA CC(C)c1occc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 279966840 JFZXDBSNDSOSKE-SFHVURJKSA-N 337.423 3.426 30 50 EGEA Cc1cc(C)c(N=C(O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c(C)n1 331290286 BCOOFOJXGHQEGO-INIZCTEOSA-N 346.475 3.037 30 50 EGEA CCc1cc(C#N)ccc1OC(=O)c1ccc(CN2CCCC2=O)cc1 282213765 TZVFEEKIZLNIEA-UHFFFAOYSA-N 348.402 3.462 30 50 EGEA Cc1nc(N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)ccc1C#N 685940804 VVCRQFKOKDIGTK-KXBFYZLASA-N 335.411 3.080 30 50 EGEA Cc1cc(CS(=O)(=O)CCCC#N)nc(-c2ccc(Cl)cc2)n1 190938113 KAZACLAMNBGDQO-UHFFFAOYSA-N 349.843 3.324 30 50 EGEA C=CCN1CCN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 12380420 PBDGMJGGPPMKGS-MRXNPFEDSA-N 330.472 3.082 30 50 EGEA N#Cc1cc2c(nc1S(=O)(=O)Cc1ccc(Cl)cc1)CCCC2 74079 UYRYXXIMANOOPU-UHFFFAOYSA-N 346.839 3.459 30 50 EGEA C=CCn1c(NC(=O)c2ccco2)c(C(=O)OCC)sc1=S 457650 FRJWWFYWNBDDBO-UHFFFAOYSA-N 338.410 3.487 30 50 EGEA O=C(C[n+]1ccc(Cc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 3136977 STTMCAPBJYBYOR-UHFFFAOYSA-N 333.367 3.356 30 50 EGEA C=C(C)COc1ccccc1C(=O)N(C)[C@@H](COC)c1ccccn1 55119448 VRDPUUANZQVVFS-SFHVURJKSA-N 340.423 3.496 30 50 EGEA CCn1cc([C@H]2OCC[C@@H]2/N=C(/O)c2cc3ccccc3o2)cn1 328627900 NDCULRLVKGNUHZ-WMLDXEAASA-N 325.368 3.484 30 50 EGEA COc1ccc(-n2ccnc2-c2ccc(C#CC(C)(C)O)cc2)cn1 72152072 YUNSXHVMMLPAQM-UHFFFAOYSA-N 333.391 3.065 30 50 EGEA CN1CC[C@]2(CCN(C(=O)Nc3ccc(C#N)c4ccccc34)C2)C1 96130867 QVQUZYFSNTZKHY-FQEVSTJZSA-N 334.423 3.271 30 50 EGEA N#Cc1ccsc1NC(=O)[C@@H]1COc2ccc(Br)cc21 179883495 YJLBHFKBTJYNRG-LLVKDONJSA-N 349.209 3.497 30 50 EGEA CC(C)(O)C#Cc1ccc(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cc1 952964112 BHKNSAZBNHZYGD-ZVBHREPYSA-N 337.463 3.460 30 50 EGEA C=C1CC[C@@]23C[C@@H](CC[C@@H]2[C@]12C[C@H](c1ccoc1)OC2=O)OC3=O 248340244 UNKJMPBJRRFBEL-HIGHGGLBSA-N 328.364 3.316 30 50 EGEA biogenic C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](C)[C@@H]1c1ccccc1 245416630 FHQNOVRSUFWJDM-SOLBZPMBSA-N 325.456 3.411 30 50 EGEA COCCN(Cc1ccc(C)cc1)Cc1cc(C#CCO)cs1 55414884 OEYZERMPFNNBGB-UHFFFAOYSA-N 329.465 3.049 30 50 EGEA Cc1ccccc1N1CCN(Cc2ccc(C#CCO)s2)[C@H](C)C1 65375171 KYNVWCLWWCWLKD-QGZVFWFLSA-N 340.492 3.111 30 50 EGEA Cc1cccc(C/N=C(/O)CN2CCN(C)C3(CCCCC3)C2)c1 328599395 RKOSQXQZKCCDIV-UHFFFAOYSA-N 329.488 3.402 30 50 EGEA COCc1cc(/C=C\C(=O)c2ccc3c(c2)OCO3)ccc1OC 6490511 UUXPRTOHOHDQPY-UTCJRWHESA-N 326.348 3.466 30 50 EGEA Cc1cc([N+](=O)[O-])c(-c2ccc(/C=N/n3cnnc3)o2)cc1Cl 275868 IQCQDNUBVULXSU-NGYBGAFCSA-N 331.719 3.290 30 50 EGEA CC(C)Oc1cccc(-c2nnc(S)n2/N=C/c2ccco2)c1 5817438 HHVHFGNGZKHSKT-LICLKQGHSA-N 328.397 3.496 30 50 EGEA CC1(C)Cc2c(cnn2-c2ccncc2)CN([C@@H]2CC[C@@H](C#N)C2)C1 2325756956 WCHLQQURIMNZAZ-CRAIPNDOSA-N 335.455 3.344 30 50 EGEA CN(C)Cc1ccc(NC(=O)c2coc(C#N)c2)cc1C(F)(F)F 894985480 PZQGVQNCMDNWMV-UHFFFAOYSA-N 337.301 3.484 30 50 EGEA COC(=O)c1sc(NC(=O)[C@@]2(C)CC2(Cl)Cl)c(C#N)c1C 2872522 ZMZBCHAVWIPFRQ-GFCCVEGCSA-N 347.223 3.237 30 50 EGEA C=CCN(Cc1nc(-c2ccccc2)no1)Cc1nc(C)ccc1O 55309736 SKGCYKNNBPBDBZ-UHFFFAOYSA-N 336.395 3.334 30 50 EGEA OCCN(/C(O)=N/C1CCC2(CCCCC2)CC1)C1CCOCC1 329833599 GOCKROKMSIJLBD-UHFFFAOYSA-N 338.492 3.267 30 50 EGEA C[C@]1(NC(=S)Nc2ccc3ccccc3c2)CC[S@@+](=O)(O)C1 334158987 RRAAUQYJISORGZ-INIZCTEOSA-P 335.474 3.261 30 50 EGEA CCCCn1c(S(=O)(=O)Cc2ccccc2C#N)nc(C)c1C 278568502 NGOCDZPWAWCXNJ-UHFFFAOYSA-N 331.441 3.146 30 50 EGEA CCc1nn(Cc2ncc(-c3ccc(C)cc3)o2)c(=O)c(C#N)c1CC 266223074 FQCQWYAOHLEHKY-UHFFFAOYSA-N 348.406 3.252 30 50 EGEA C=C(C(=O)c1c(OC)cc2c(c1OC)OCO2)c1ccccc1O 584879798 SIKIIXNKUAAGAM-UHFFFAOYSA-N 328.320 3.034 30 50 EGEA biogenic,in-vitro N#Cc1nccnc1N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 253432957 QEDAEDYFDCSJIZ-SECBINFHSA-N 339.346 3.208 30 50 EGEA CCOc1cccc(NC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@@H]4O[C@@H]4[C@H]23)c1 254300351 TTWBJLXTVXWETO-OPRKSIIFSA-N 329.396 3.446 30 50 EGEA C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C(=O)CO)CC[C@H]12 257346380 ZDYFFPNLCUDFDB-ZSPTZRBXSA-N 328.452 3.472 30 50 EGEA COc1ccc(N/C=C2/C(=O)Oc3ccccc3C2=O)c2cccnc12 824645519 BKOIOUNWQZEKNH-SDNWHVSQSA-N 346.342 3.341 30 50 EGEA biogenic COc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)c(OC)c1OC 25570 JGOPTESGPYJSBC-NVNXTCNLSA-N 328.320 3.034 30 50 EGEA biogenic Cc1cnc(NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 169969071 OWBJFQOVHAKAFM-UHFFFAOYSA-N 334.225 3.036 30 50 EGEA COc1cc(C#N)ccc1OC[C@H]1CCCN(c2nnc(C)s2)C1 1875248674 FSGPOUXHWOPHBH-AWEZNQCLSA-N 344.440 3.022 30 50 EGEA COc1ccc(-c2cc(C(F)F)n3ncc(C#N)c3n2)cc1OC 2766732 UPJJOPMZSVSLMY-UHFFFAOYSA-N 330.294 3.223 30 50 EGEA Cc1noc([C@H](NC(O)=Nc2cscc2C)C2CCOCC2)n1 328627952 NFMSQXRHZFDXGJ-CYBMUJFWSA-N 336.417 3.051 30 50 EGEA CC(=O)[C@H]1C[C@@H](O)[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 71770796 TXSVIPOXNODKEY-XCEZYFHXSA-N 328.452 3.470 30 50 EGEA N#CCc1cccc(NC(=O)N[C@H]2CCN(c3ccccc3F)C2)c1 455901865 FNYFCNJJNNDDSE-INIZCTEOSA-N 338.386 3.292 30 50 EGEA COc1ccc(C=Nn2c(S)nnc2-c2ccc(OC)cc2)cc1 239038703 DRVVCGNBZDZICF-UHFFFAOYSA-N 340.408 3.133 30 50 EGEA CC(C)(O)C#Cc1ccc(C(=O)N2CC[C@@H]2c2ccc(F)cc2)o1 952986927 GYOHUNCMUVWCJS-MRXNPFEDSA-N 327.355 3.128 30 50 EGEA COCCN(C(=O)c1ccoc1Br)c1ccc(C#N)cc1 192603157 BHPRFBHCPRCMGB-UHFFFAOYSA-N 349.184 3.207 30 50 EGEA Cc1cc(C)n([C@H]2CCCN(CCCC3(C#N)CCOCC3)C2)n1 375612356 NAOASYCDKQZFJK-SFHVURJKSA-N 330.476 3.237 30 50 EGEA C#CCCC1(CCC(=O)N(C)C2CCN(c3ccccc3)CC2)N=N1 2325892462 OFLZJPMQTFZEOB-UHFFFAOYSA-N 338.455 3.470 30 50 EGEA CC#CC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 253392273 KPEWYHDPBYGRER-WMLDXEAASA-N 338.373 3.228 30 50 EGEA Cc1noc([C@H](/N=C(/O)CCc2ccsc2)C2CCOCC2)n1 328612765 PUILLHBYFSAJME-OAHLLOKOSA-N 335.429 3.497 30 50 EGEA N#Cc1ccccc1-c1ccccc1C(=O)N1CC([C@@H]2CCOC2)C1 377410110 CWZKLUXWXLUXGO-MRXNPFEDSA-N 332.403 3.334 30 50 EGEA C=CCC(C)(C)CNC(=O)CCCc1nc(O)c2ccccc2n1 294109175 DZIGAQBDHYKPCA-UHFFFAOYSA-N 327.428 3.377 30 50 EGEA Cc1ccc(C(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)c(Cl)c1 18161710 LAHKWVHNPJPLQC-UHFFFAOYSA-N 333.731 3.034 30 50 EGEA C#CCCC1(CCC(=O)Nc2ncc(C[C@@H]3CCCO3)s2)N=N1 2325891945 LWBCGYKVWFWDHR-LBPRGKRZSA-N 332.429 3.159 30 50 EGEA N#CCc1cccc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)c1 225398893 MHKANVKYDDEPFH-UHFFFAOYSA-N 347.465 3.279 30 50 EGEA C=C(C)COc1cccc(C(=O)N(C)[C@@H](COC)c2ccccn2)c1 55225070 WYLNERNTWIWCPN-IBGZPJMESA-N 340.423 3.496 30 50 EGEA CCc1noc(C)c1N=C(O)N1CCC[C@H](Oc2ncccc2F)C1 328587818 JBJXLTNIAKSWIA-LBPRGKRZSA-N 348.378 3.168 30 50 EGEA C[C@H]1CN(c2nccc(C#N)n2)C[C@H](c2cccc(C(F)(F)F)c2)O1 450538507 GRTUGQQLEOKVQE-XHDPSFHLSA-N 348.328 3.333 30 50 EGEA C[C@@H](C#N)Oc1ccc(CN2CCC(=O)Nc3cc(F)ccc32)cc1 378132179 PTASCVKBKVDPAS-ZDUSSCGKSA-N 339.370 3.465 30 50 EGEA COc1cc(O)ccc1-c1c(C#N)c(N)nc2c1Cc1c(O)cccc1-2 71749052 KKHSWJWTPJXTQH-UHFFFAOYSA-N 345.358 3.193 30 50 EGEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)CCCc2ccc(OC)cc2)C1 91474191 ORWCTPSETCLNPK-HXUWFJFHSA-N 345.439 3.287 30 50 EGEA N#Cc1cc2n(n1)CCCN(Cc1cc(C3CCCCC3)no1)C2 1506398711 RXKAGRFFONQQHF-UHFFFAOYSA-N 325.416 3.196 30 50 EGEA COc1ccc(OC)c(CNc2nc(C)c([N+](=O)[O-])c(C)c2C#N)c1 19315329 JQLNMIJAKICSER-UHFFFAOYSA-N 342.355 3.108 30 50 EGEA C[C@@H]1CC[C@@]23OC(=N)[C@@](C#N)([C@@H]2C1)C(C#N)(C#N)[C@@H](c1ccccc1)O3 169680368 GHTRPRHOWLFKPL-JCRWAUQASA-N 346.390 3.441 30 50 EGEA Cn1cc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)CC2=CCCCC2)cn1 328650271 VMSLNLNBLPGWOQ-IRXDYDNUSA-N 334.439 3.180 30 50 EGEA C=CCN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(OC)c1 55119514 BIYXSJNUICTMGW-UHFFFAOYSA-N 345.464 3.287 30 50 EGEA CCn1cc([C@H]2OCCC[C@@H]2NC2CCC(/N=C(/C)O)CC2)cn1 328655598 YNKSGGCUBUJZFU-ZGUYJTEBSA-N 334.464 3.000 30 50 EGEA CSc1cc(C(=O)[C@@H](C#N)C(=O)NC2CCCCC2)ccc1F 155561450 RPANYFDFZQODOS-CYBMUJFWSA-N 334.416 3.319 30 50 EGEA Cc1ccccc1C(=O)NC1CCN(c2snc(C)c2C#N)CC1 283677508 XHJZMTGLBJMILZ-UHFFFAOYSA-N 340.452 3.030 30 50 EGEA N#Cc1cccc(N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)n1 91695179 BHQHCCJAZWURCL-FQEVSTJZSA-N 338.455 3.105 30 50 EGEA CCc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cccnc2C#N)o1 276966405 FCGTYTBSUABVDF-HNNXBMFYSA-N 345.424 3.025 30 50 EGEA O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccnn1C(F)F 2777610 ZDIZOYHCFYNREU-UHFFFAOYSA-N 327.159 3.226 30 50 EGEA CC1=NN(c2ccccc2)C(=O)[C@@H]1C=C1C(=O)c2ccccc2C1=O 100193826 VAFQYLOIORCNPM-MRXNPFEDSA-N 330.343 3.031 30 50 EGEA C=CCn1nc(C(=O)O)c2c1CC[C@@H](N1CCC(CC)(CC)C1)C2 67850940 JFEUJSCUDVJYJM-CQSZACIVSA-N 331.460 3.137 30 50 EGEA CCn1cc(CN2CCCN(Cc3cccs3)CC2)cc1C#N 72425169 AHPMLVHGRIWBEB-UHFFFAOYSA-N 328.485 3.149 30 50 EGEA C[C@@H](NCc1ccc(C#CCO)s1)c1ccccc1-n1cccn1 952976212 UYJRURGLLBJWGD-OAHLLOKOSA-N 337.448 3.128 30 50 EGEA Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2ccc(C#N)s2)C1 190456903 SMWRNHNDGPJLSH-AWEZNQCLSA-N 346.525 3.339 30 50 EGEA CC1(C)CN(CCOCCC#N)[C@H]1c1nccn1-c1cccc(F)c1 952893532 UPBUJUHNZLQIKI-KRWDZBQOSA-N 342.418 3.325 30 50 EGEA CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H](c1ccccc1)C(C#N)C#N 233296 IBBUNMDCCDIBFL-MOPGFXCFSA-N 328.375 3.472 30 50 EGEA Cc1cc2cc(NC(=O)C(=O)Nc3ccc(F)cc3C#N)ccc2[nH]1 121664743 UEBLGGOXFJMYDD-UHFFFAOYSA-N 336.326 3.064 30 50 EGEA C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1O 264523343 INOJVPSIVOUVHQ-NFAWXSAZSA-N 333.457 3.363 30 50 EGEA COc1ccc(C=NN=Cc2ccc(OC)c(OC)c2)cc1OC 253776994 DCROUMFSOORFPU-UHFFFAOYSA-N 328.368 3.174 30 50 EGEA COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2cccc(F)c2)cc1 5686964 OKKWKPFJLYHHJT-MRXNPFEDSA-N 341.338 3.042 30 50 EGEA C#C[C@H](C)NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 225610918 PFQRPRRZCPPYNR-LBPRGKRZSA-N 329.787 3.457 30 50 EGEA CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 100433490 XUWVOUIJQDCKQK-GOSISDBHSA-N 341.407 3.312 30 50 EGEA N#CCc1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccccc2)cc1 247750708 SIMVSEIQFYZBSC-CTNGQTDRSA-N 336.435 3.329 30 50 EGEA CC(=O)c1ccc(OCC(=O)N(CC#N)c2ccccc2)c(Cl)c1 119454462 JAXBTXKSPZULRO-UHFFFAOYSA-N 342.782 3.478 30 50 EGEA C[C@@H](/N=C(/O)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2)c1nc[nH]n1 328603672 GVNQQBHCHVKMBV-IDHHARJASA-N 339.443 3.125 30 50 EGEA Cn1nccc1N1CCC[C@H](/N=C(/O)[C@@H]2CCCC(F)(F)C2)C1 328586594 IWDYUSDYCMPBIV-OLZOCXBDSA-N 326.391 3.171 30 50 EGEA CC1(C)OB(c2ccc(C(=O)NC3CCCCC3)c(F)c2)OC1(C)C 204026317 WANRXUOKTLHYOK-UHFFFAOYSA-N 347.239 3.187 30 50 EGEA N#Cc1ccc(Cl)cc1N1CCC[C@@H](CNC(=O)c2ccco2)C1 239722388 CCOOMFNDMDOVJC-ZDUSSCGKSA-N 343.814 3.451 30 50 EGEA CC(C)(C)c1cc(/C(O)=N/[C@H]2CCCN(CC(F)(F)F)C2)no1 330599857 CLMNPXZDNPGCTL-JTQLQIEISA-N 333.354 3.303 30 50 EGEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc2ccn(C)c2c1 71498495 PBGLNEQFRPENCV-UHFFFAOYSA-N 342.406 3.403 30 50 EGEA N#Cc1ccccc1N1CCC(CNC(=O)[C@H]2CCC(F)(F)C2)CC1 370556853 XBBDIAMXMWWSEX-HNNXBMFYSA-N 347.409 3.326 30 50 EGEA N#Cc1cccnc1N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 67541012 CRROJHHVDPFORL-IBGZPJMESA-N 343.377 3.053 30 50 EGEA O=C1CCN1c1cccc(C/N=C(/O)C[C@@H]2CCCCN=C2O)c1 328691957 FDRQBPXBLBRIKV-AWEZNQCLSA-N 329.400 3.027 30 50 EGEA C=C[C@@H]1CCCCN1CC(=O)Nc1cc(C)nn1-c1ccccc1F 489441265 QSHPCUBNWCVMML-OAHLLOKOSA-N 342.418 3.299 30 50 EGEA N#Cc1c(Br)cccc1N1CCN(C2CCCC2)CC1 95495735 ZFJCWKIBCNUPKI-UHFFFAOYSA-N 334.261 3.385 30 50 EGEA CC[C@@H]1C[C@@H](CC(=O)N[C@@]2(C#N)CCc3ccccc3C2)CCO1 274443938 FRECXDWADVTFLT-CVAIRZPRSA-N 326.440 3.149 30 50 EGEA C=CCc1ccccc1OCCOc1cccc(/C=N/n2cnnc2)c1 5517753 YDRZYERRGAQAFX-OEAKJJBVSA-N 348.406 3.347 30 50 EGEA Cc1occc1C(=O)N1CCC(N[C@@H](C)c2ccc(C#N)cc2)CC1 373222589 CYYZGSCIOBMELU-AWEZNQCLSA-N 337.423 3.415 30 50 EGEA Cn1cc(NC(=O)c2ccc(N3CCCC3)c(C#N)c2)c(C2CC2)n1 1875260691 XOCMWHVWYBCSQB-UHFFFAOYSA-N 335.411 3.022 30 50 EGEA C#CCCC1(CCSc2nnnn2-c2ccc(C)c(C)c2)N=N1 2325891631 RWRVRDINXBNHCZ-UHFFFAOYSA-N 326.429 3.337 30 50 EGEA CNC(=O)CC1CCN(Cc2ccc(-c3ccccc3C#N)o2)CC1 71745828 QNRPTWVQRMAKFR-UHFFFAOYSA-N 337.423 3.166 30 50 EGEA N#Cc1c(N2CC[C@@H](Cc3ccncc3)C2)nc2cc(Cl)ccn12 376409064 RNJLKECQLSCKPJ-AWEZNQCLSA-N 337.814 3.323 30 50 EGEA N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)c1 333685881 LWMVKNVRQKNMRZ-CJNGLKHVSA-N 336.844 3.021 30 50 EGEA CC(C)CCn1c(CN2CCn3nc(C#N)cc3C2)nc2ccccc21 826805771 XDFFTKLWFRTGFB-UHFFFAOYSA-N 348.454 3.166 30 50 EGEA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 364926325 ZLQIYHHHQQYNMI-CYBMUJFWSA-N 343.818 3.277 30 50 EGEA N#Cc1cc(Br)ccc1Cc1nc(-c2nccs2)no1 2325869577 UTUHSYDIPCQFCF-UHFFFAOYSA-N 347.197 3.418 30 50 EGEA Cc1c(Br)ccc(C(=O)N[C@]2(C#N)CC2(C)C)c1F 291506348 VXXPBXXMUUIPMV-AWEZNQCLSA-N 325.181 3.319 30 50 EGEA Cc1cc(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)n[nH]1 176443665 IBLHOTWJBAPUBQ-UHFFFAOYSA-N 346.390 3.350 30 50 EGEA N#Cc1cc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)ncn1 408514578 XTFCSKYQDFOIIN-GFCCVEGCSA-N 325.441 3.068 30 50 EGEA COc1cc2c(cc1/C=C1/C(=O)Nc3cc(C#N)ccc31)O[C@@H](C)C2 773158351 BVNUFHLZSHZUEB-JRUYLCMPSA-N 332.359 3.383 30 50 EGEA C#CCCC1(CCNC(=O)c2oc3ccccc3c2CN(C)C)N=N1 2325891055 NYEMRJMVNOLVQY-UHFFFAOYSA-N 338.411 3.190 30 50 EGEA C#CCCC1(CCC(=O)NCC[C@H](c2ccccc2)N(C)C)N=N1 2325900053 JENQBHNTJMWAJA-QGZVFWFLSA-N 326.444 3.151 30 50 EGEA COc1ccc(CCn2c(N)c(C#N)c3nc4ccccc4nc32)cc1 390245 ZFXJAQONEZEDLZ-UHFFFAOYSA-N 343.390 3.290 30 50 EGEA Cc1nnc(N2CCN(c3ccc(F)cc3Cl)CC2)c(C#N)c1C 270257550 TVVQQANIDZPNOS-UHFFFAOYSA-N 345.809 3.084 30 50 EGEA COc1cc(C#N)ccc1OC[C@H]1CCCN(Cc2nccs2)C1 1875246495 PSRQYLDBXBROAT-HNNXBMFYSA-N 343.452 3.314 30 50 EGEA COCCn1ncc2c1[C@H](Nc1ncc(Cl)c(C)c1C#N)CCC2 240534546 GOKIKRKJCFLVGF-OAHLLOKOSA-N 345.834 3.248 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)N=N1 952881116 KVSGNKHROXEYOI-WMZOPIPTSA-N 325.412 3.379 30 50 EGEA CCOc1cccc(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 1776007499 HAEFAWXISWUGRP-OAHLLOKOSA-N 345.248 3.394 30 50 EGEA Cc1nc(S(=O)(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl 118980 SKIOBYLBCQALHH-UHFFFAOYSA-N 335.816 3.049 30 50 EGEA O=C(Nc1cccc([N+](=O)[O-])c1)C(F)(F)C(F)(F)C(F)(F)F 2172838 XLJRHHILGOGNKM-UHFFFAOYSA-N 334.147 3.366 30 50 EGEA O=C1C[C@H](c2cccc(O)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 4520710 POCQRVFBQCBVFQ-GXTWGEPZSA-N 339.416 3.458 30 50 EGEA CCSC1=N/C(=C\c2cc(OC)c(OC)cc2OC)C(=O)S1 4755420 LMSVCYKLCLCCST-POHAHGRESA-N 339.438 3.436 30 50 EGEA O=C1Oc2cc([N+](=O)[O-])ccc2N/C1=C/C(=O)c1ccc(Cl)cc1 100476741 JMUROTBPYCAULL-MDWZMJQESA-N 344.710 3.346 30 50 EGEA N=C(N)N/N=C\c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 35123774 JHZKWRAHAGSAAA-ZBKNUEDVSA-N 337.210 3.389 30 50 EGEA C[C@H](NCc1nccc(=N)[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 371705562 DRMSTJMVMBTWPU-AWEZNQCLSA-N 329.407 3.279 30 50 EGEA N#Cc1ccccc1-c1ccccc1C(=O)N1CC([C@H]2CCOC2)C1 377410109 CWZKLUXWXLUXGO-INIZCTEOSA-N 332.403 3.334 30 50 EGEA C=CCN1CC2(CCC1=O)CCN(Cc1ccccc1OCC)CC2 91807747 BBNBFUIGCGXVIE-UHFFFAOYSA-N 342.483 3.476 30 50 EGEA CC1(C)COB(c2ccc(C(c3ccc[nH]3)c3ccc[nH]3)cc2)OC1 169794582 JWZNBORWRYAAFX-UHFFFAOYSA-N 334.228 3.291 30 50 EGEA O=S1(=O)CCC(CC/N=C(/O)[C@H]2CCCc3ccccc32)CC1 328975055 BEZKFHPEDZGOHS-KRWDZBQOSA-N 335.469 3.278 30 50 EGEA COc1ccccc1/C=N/N1C(=O)c2cccc3cccc(c23)C1=O 59220 UCIHEFNZEMOEGR-CIAFOILYSA-N 330.343 3.479 30 50 EGEA C=CCN(C(=O)c1coc(COc2ccc3c(c2)OCO3)n1)C(C)C 67886091 RRTGYBZSVDBPHX-UHFFFAOYSA-N 344.367 3.019 30 50 EGEA N#Cc1cc(F)ccc1CN1CC[C@](CO)(Cc2ccc(F)cc2)C1 377542114 HGGKEDNIJXZVQQ-FQEVSTJZSA-N 342.389 3.264 30 50 EGEA N#Cc1ccc(O[C@H]2CCN(C(=O)c3cccc4c3CCCC4)C2)nc1 295286192 IYDYDBISEIMJLK-KRWDZBQOSA-N 347.418 3.126 30 50 EGEA N#Cc1ccc(NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)cc1Cl 182255742 UEVLNWXSOWJJNH-CQSZACIVSA-N 343.770 3.027 30 50 EGEA CC1=C(C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 447973 AOXGMTYWKUNEQY-INIZCTEOSA-N 337.335 3.106 30 50 EGEA N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CC[C@H](O)CC2)cc1 246174052 VOHYMAVRUYXNBL-WGSAOQKQSA-N 349.434 3.328 30 50 EGEA COC(C/N=C1\NC[C@@H](c2ccccc2)Sc2ccccc21)OC 96027530 BRVVXTSUTXQVHQ-KRWDZBQOSA-N 342.464 3.489 30 50 EGEA COc1cc(CNC(=O)C#CC2CC2)ccc1OCc1ccccc1 408520214 UVGIXVWWMJNEEA-UHFFFAOYSA-N 335.403 3.304 30 50 EGEA Cc1sc(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)O)c(C#N)c1C 4845013 GFZMQNUBHCITLC-QWRGUYRKSA-N 338.816 3.409 30 50 EGEA C#CCn1c([C@@H]2CC(=O)N(Cc3cccs3)C2)nc2ccccc21 7543136 WOARDGUZLXGRQL-CQSZACIVSA-N 335.432 3.247 30 50 EGEA Cc1cncc(/C=C/C(O)=N/C[C@H](CO)Cc2ccncc2Cl)c1 328589960 OHYBXTVKAMMULN-XYBNCVKDSA-N 345.830 3.259 30 50 EGEA CCNC(=S)N/N=C/c1ccc(OC(=O)c2cccc(C)c2)cc1 2531346 PMOOOBDEUZDNSH-UDWIEESQSA-N 341.436 3.032 30 50 EGEA N#Cc1ccc(N2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1C(F)(F)F 113334142 OPSIVAKKLQRWKC-NWDGAFQWSA-N 338.251 3.469 30 50 EGEA C[C@H](/N=C(/O)c1cccc2oc(O)nc12)c1ccc2c(c1)OCCO2 328592728 XQKKIWQSSFIEKB-JTQLQIEISA-N 340.335 3.370 30 50 EGEA Cc1noc([C@H](/N=C(/O)c2cc3ccccc3[nH]2)C2CCOCC2)n1 328608771 BFDUYKIOJHZOAM-MRXNPFEDSA-N 340.383 3.332 30 50 EGEA C=CCn1cc(-c2c(C)c(-c3ccc(O)cc3)nc(N)c2C#N)cn1 71497784 AXECIXFBPUIWIA-UHFFFAOYSA-N 331.379 3.266 30 50 EGEA CC(C)[C@H]1CN(C(=O)c2cc(C#N)cn2C)C[C@@H](c2ccccc2)O1 1529153744 UYJKNQBDLBFEDW-MOPGFXCFSA-N 337.423 3.135 30 50 EGEA C=CCS(=O)(=O)N1CCC[C@@H](CCc2c(F)cccc2F)C1 11842994 IXZSYTFXWAHVFO-ZDUSSCGKSA-N 329.412 3.125 30 50 EGEA C[C@@H](C#N)C(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 952891184 BPQFKQCUOGPHHB-ZDUSSCGKSA-N 338.386 3.148 30 50 EGEA C[C@@H]1CN(c2c3c(c(C#N)c4nc5ccccc5n24)CCC3)C[C@@H](C)O1 183165 ODDCOAJSJSWGGF-ZIAGYGMSSA-N 346.434 3.461 30 50 EGEA O=C(/C=C(/c1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 4957506 GHVSMYVWOHVILP-JXAWBTAJSA-N 338.363 3.151 30 50 EGEA C=CCn1c(=O)c(C(=O)N[C@@H](C)c2ccccc2)c(O)c2ccccc21 100505263 VTMGRPSAIFIPRJ-AWEZNQCLSA-N 348.402 3.384 30 50 EGEA C#CCOc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1ccccc1 65370022 NJTJEZJBEPIZJZ-QGZVFWFLSA-N 343.386 3.358 30 50 EGEA C=CCCOCCNC(=O)N[C@@H](C)c1ccc(-c2cncnc2)cc1 127438795 UMWRIXOSLRCKAS-HNNXBMFYSA-N 340.427 3.097 30 50 EGEA O=[N+]([O-])c1ccc(N/N=C2/[C@@H]3[C@H]4C[C@@H]5[C@H]6C[C@H]([C@H]3[C@@H]46)[C@H]25)c([N+](=O)[O-])c1 245266925 KSEOYFBWVDHLNF-OAFOZPQESA-N 340.339 3.049 30 50 EGEA CCCCC(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]12 1848443768 BAYQPGBXUAKXTF-UKPUIBMWSA-N 346.423 3.132 30 50 EGEA N#Cc1ccc(N2CCC(NCc3sccc3Cl)CC2)nc1 225609925 IBIHIGHCPDEFBC-UHFFFAOYSA-N 332.860 3.427 30 50 EGEA N#Cc1ccccc1N1CCN(CC2([C@H]3CCCCO3)CC2)CC1 1776005320 CPEDKSNGEVLTPU-LJQANCHMSA-N 325.456 3.030 30 50 EGEA C=C(C)COc1c(CN(C)Cc2[nH]nc3c2CCC3)cccc1OC 55393323 NIPQAWVRHSTBGB-UHFFFAOYSA-N 341.455 3.494 30 50 EGEA OC(=Nc1ccc(F)c(C2CC2)c1)N[C@@H]1CCO[C@@]2(CCOC2)C1 328588698 VLQQLUWMYXIZLY-KDOFPFPSSA-N 334.391 3.176 30 50 EGEA O/C(=N/C[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@H](O)c1ccccc1 328625881 DPPRHVJPQPVETB-YQQAZPJKSA-N 348.443 3.351 30 50 EGEA COc1cccc(CSc2nc3c(cc2C#N)CN(C)CC3)c1 19851858 YZMRYBKMRKANJL-UHFFFAOYSA-N 325.437 3.242 30 50 EGEA C#CCCC1(CCNC(=O)c2c[nH]cc2-c2scnc2C)N=N1 2325887401 OEDRDMLMRNXENX-UHFFFAOYSA-N 327.413 3.142 30 50 EGEA CCC/C(=N\OCC)[C@H]1C(=O)CC(C)(C)[C@H](c2cc(C)no2)C1=O 102909761 PRMMBWKGPFIKKP-AHQHQLSQSA-N 334.416 3.444 30 50 EGEA COc1ccccc1N/N=C1\C(=O)Nc2ccc(Br)cc21 100377799 RSDRSIHMJPCROW-UHFFFAOYSA-N 346.184 3.226 30 50 EGEA CCCCOc1c(C)cc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] 170003706 HNHSGDCCCAEVCN-UHFFFAOYSA-N 335.209 3.381 30 50 EGEA N#Cc1c(-c2ccccc2OCCO)cc(-c2cccs2)nc1N 67879315 PBTZPODDYZZELI-UHFFFAOYSA-N 337.404 3.302 30 50 EGEA CN1CCC([C@@H]2CCN(C(=O)CC/N=C(/O)C3CCCCC3)C2)CC1 328752026 CSLFPDJNOQFFQK-GOSISDBHSA-N 349.519 3.104 30 50 EGEA Cc1nc([C@H]2CCCN(c3cccc(C#N)n3)C2)cc(N2CCCC2)n1 72477319 ZTPXBUFTBISHHG-INIZCTEOSA-N 348.454 3.036 30 50 EGEA CC(=O)N1C[C@@H](CCC(=O)Nc2sccc2C#N)c2ccccc21 253428941 PXFWYOXYTHNEJB-CQSZACIVSA-N 339.420 3.489 30 50 EGEA N#Cc1ccc(CN2CCC(NC3Cc4ccccc4C3)CC2)cc1 184008164 MXWZLTAOPXDWHP-UHFFFAOYSA-N 331.463 3.280 30 50 EGEA COc1cccc(SC[C@H](O)COc2ccc(CC#N)cc2)c1 408526004 KFYVTNWBETYDFJ-OAHLLOKOSA-N 329.421 3.293 30 50 EGEA N#Cc1cc(N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)ccn1 225475010 GHJZZKKEIUSCBC-CZUORRHYSA-N 333.313 3.284 30 50 EGEA Cc1cccc(C)c1CC/N=C(/O)N1CCC(c2cnc[nH]2)CC1 328587987 LEIGQMFYPZYMIA-UHFFFAOYSA-N 326.444 3.363 30 50 EGEA CN1CCN(C(=O)c2cccc(-c3ccc(C#N)c(Cl)c3)c2)CC1 426512171 NZAPWKVQNGTBBY-UHFFFAOYSA-N 339.826 3.266 30 50 EGEA N#Cc1ccnc(N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)c1 92080616 HOSCKFRFNRLYKH-FQEVSTJZSA-N 338.455 3.105 30 50 EGEA C=CCN(C)CC[C@]1(c2ccccc2)C(=O)N(N(C)C)c2ccccc21 96027506 OCLPDPOJWHCAJQ-JOCHJYFZSA-N 349.478 3.304 30 50 EGEA C#CCCC1(CCC(=O)N2CCCC[C@H]2c2nccn2CC)N=N1 952882932 ZHWAFRRDXVXYSH-HNNXBMFYSA-N 327.432 3.312 30 50 EGEA CCc1nnc([C@H]2CCCN(Cc3ccc(F)c(C#N)c3)[C@H]2C)o1 952852815 UQCVDDGIYPGLRT-WFASDCNBSA-N 328.391 3.411 30 50 EGEA Cc1c(C#N)c2ccccc2n1CC(=O)N1CCc2ccccc2C1 309552 CRYXXHABWNOVQM-UHFFFAOYSA-N 329.403 3.406 30 50 EGEA COc1ccc(CC(=O)O/N=C(\N)Cc2cccc3ccccc23)cc1 4723547 CNFANTDQHCLMMQ-UHFFFAOYSA-N 348.402 3.449 30 50 EGEA CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccnc(C3CC3)c2)cc1 408513971 IOBPKWLZCXGZQY-KRWDZBQOSA-N 333.391 3.483 30 50 EGEA COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1OC 13111210 XDSDRHJVFJQAIG-ZROIWOOFSA-N 339.347 3.057 30 50 EGEA N#Cc1ccc(CN2CC[C@@H]([C@@H]3CCOC3)C2)c(Br)c1 360757899 VNUTWBKDPVLVLB-UKRRQHHQSA-N 335.245 3.179 30 50 EGEA Cc1noc(CC/N=C(/O)[C@H]2C[C@@]23CC(C)(C)Oc2ccccc23)n1 328603498 GFGLSVNTLBATCK-KUHUBIRLSA-N 341.411 3.396 30 50 EGEA CC(C)(CN1CCOCC1)/N=C(/O)c1ccc(Cl)c(Cl)c1O 331309933 BPPPUUOWUGEOHE-UHFFFAOYSA-N 347.242 3.114 30 50 EGEA O=C1Nc2ccccc2/C1=N/N=Cc1cc(Cl)cc(Cl)c1O 254485529 COMKYRMEPIKBDA-UHFFFAOYSA-N 334.162 3.474 30 50 EGEA O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc([N+](=O)[O-])cc1 12375812 FHWBDWXGIJHPJK-GXDHUFHOSA-N 325.349 3.486 30 50 EGEA C=CCN1C(=O)[C@H]2C3c4ccccc4C(C)(c4ccccc43)[C@@H]2C1=O 233534 YITKMVZUCLEHOZ-DBAFAGGRSA-N 329.399 3.239 30 50 EGEA CCOC(=O)SC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)S1 4953103 ZNKHODKLFQEJPJ-UITAMQMPSA-N 337.378 3.275 30 50 EGEA C=CCC1(OC)CCN(Cc2cc3ccc(F)cc3[nH]c2=O)CC1 67771820 DMNZZPNRROOXGU-UHFFFAOYSA-N 330.403 3.224 30 50 EGEA Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1 257365469 ABZULFQDNCVWBW-ORPRQENYSA-N 338.455 3.337 30 50 EGEA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3ccccc3C#N)C2)c1 77321621 CDVPQOJNLXBCDU-OAHLLOKOSA-N 336.391 3.205 30 50 EGEA CCc1cccc(CC(=O)Nc2ccnn2-c2ccc(C#N)cc2)c1 133746397 NEQHADOAZGXIRB-UHFFFAOYSA-N 330.391 3.488 30 50 EGEA C=CCN(Cc1cccc(OC)c1)C(=O)c1snnc1C(C)C 65407834 ZJZUCRDSDCNVAQ-UHFFFAOYSA-N 331.441 3.499 30 50 EGEA N#CC1(CNC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)CCC1 333555729 PWJLMVQCOAYSBC-INIZCTEOSA-N 337.427 3.493 30 50 EGEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)c1cn2c3c(cccc3c1=O)CC2 210055204 HFBVKSCFLSKDQA-HOCLYGCPSA-N 334.419 3.293 30 50 EGEA Cc1c(/C=N/Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cnn1C 6184739 HUPARQYIWLQLQH-UBKPWBPPSA-N 327.266 3.102 30 50 EGEA C=CCc1ccccc1OCCCn1c(CNC=O)nc2ccccc21 4810364 ZSKCEKGQFJHDPV-UHFFFAOYSA-N 349.434 3.480 30 50 EGEA N#Cc1nc(C2CCC2)oc1N1CCN(c2ccc(F)cc2)CC1 1857798705 ZMLGRTCSJYYJHR-UHFFFAOYSA-N 326.375 3.279 30 50 EGEA N#Cc1cccnc1SCC(=O)Nc1ccc(Br)cc1 7051335 HGGGQVUJTHLBIU-UHFFFAOYSA-N 348.225 3.447 30 50 EGEA C/C(=N\N1CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 33314140 XFNIWBVNLOBNQR-CAPFRKAQSA-N 338.411 3.137 30 50 EGEA CCc1cc(-c2cc(-c3c(C)nn(CC)c3C)nc(N)c2C#N)on1 71708138 NHMWEEMSYNBFEU-UHFFFAOYSA-N 336.399 3.253 30 50 EGEA CCCO[C@H]1CCCN(C(=O)Nc2ccc(OCC)c(C#N)c2)C1 299761388 WAYKBTSVVFNBQO-INIZCTEOSA-N 331.416 3.380 30 50 EGEA C#CCCC1(CCC(=O)NCc2cc(Cl)cc3c2OCC3)N=N1 952879124 AFSQBFHHZGFMPZ-UHFFFAOYSA-N 331.803 3.247 30 50 EGEA Cc1ccc(F)c(O)c1CN1CCO[C@H](c2cccc(C#N)c2)C1 952995536 PHYOSNGVBFOTOR-SFHVURJKSA-N 326.371 3.285 30 50 EGEA CCOc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C#N)c2ccccc12 170652035 AELAPTBHIVKOLU-CJNGLKHVSA-N 344.436 3.209 30 50 EGEA Cc1cc([C@H]2CCCN2C(=O)c2cccc(C#CC(C)(C)O)c2)no1 1506416667 DKZLGMFGKSKSPI-GOSISDBHSA-N 338.407 3.083 30 50 EGEA N#Cc1cnn(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1 328589464 KEVXSEZSVVEOCF-HNNXBMFYSA-N 349.221 3.425 30 50 EGEA CCc1ncc(-c2c(C#N)c(N)nc3c2CCc2cc(O)ccc2-3)cn1 71775985 BTNBWVNGKLWSHT-UHFFFAOYSA-N 343.390 3.026 30 50 EGEA N#Cc1cc(C(=O)Nc2cc(Br)c(F)cc2F)c[nH]1 190246015 UHYXLMQYXOIGAP-UHFFFAOYSA-N 326.100 3.179 30 50 EGEA C=CCC(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1 12703880 VBEYHWNOKLHWNT-FQEVSTJZSA-N 332.488 3.374 30 50 EGEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2cccs2)cc1 6876144 FMEUABWEYIURGK-MHWRWJLKSA-N 345.453 3.272 30 50 EGEA C=CCOc1ccccc1CN1CCN(CCC(C)C)[C@@H](CCO)C1 23375330 PFWNJULCQSMFFU-FQEVSTJZSA-N 346.515 3.166 30 50 EGEA Cc1ccnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1C#N 253427198 XIUSAQDJHKDQTE-INIZCTEOSA-N 345.349 3.441 30 50 EGEA CCC(CC)n1ncc(/C(O)=N/Cc2cnc3nccn3c2)c1C 328593496 BGICQMCCMIWSMG-UHFFFAOYSA-N 326.404 3.100 30 50 EGEA CC[C@@H]1C[C@@H](/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)CCO1 328642884 YPLOEGCBBXGFJB-OWLYRPNTSA-N 331.460 3.236 30 50 EGEA CCn1cc([C@H]2CSCCN2Cc2cccc(C#N)c2F)cn1 408522789 LSFQQMSLWAMBEG-MRXNPFEDSA-N 330.432 3.204 30 50 EGEA C=CCc1cc(C)ccc1OCCOCCN1C[C@H](C)O[C@H](C)C1 16247502 PIPKRWKAGGDCBT-HDICACEKSA-N 333.472 3.228 30 50 EGEA COc1cc(CN2C[C@H](O)C[C@H]2c2ccc(F)cc2)ccc1C#N 343334419 GSLNWCBWDBEBOB-MSOLQXFVSA-N 326.371 3.014 30 50 EGEA COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(F)cc2)c1 536452 ZRTXXARWKAJJSZ-QGZVFWFLSA-N 341.338 3.323 30 50 EGEA O=C1N/C(=N/N=C/c2cccs2)S[C@@H]1Cc1ccc(F)cc1 9014126 FVJDHQXBYPVFCY-LFMVTYOGSA-N 333.413 3.051 30 50 EGEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cn2c3c(cccc3c1=O)CC2 55211262 HFBVKSCFLSKDQA-GDBMZVCRSA-N 334.419 3.293 30 50 EGEA N#C[C@@H]1CSCCN1C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 252512667 UJWKHXKGJJZQCC-WXHSDQCUSA-N 340.370 3.276 30 50 EGEA CC(C)N(C)C(=O)C(=O)c1cccn1-c1cccc(Cl)c1C#N 4054735 BHGFGSXNBMAVTI-UHFFFAOYSA-N 329.787 3.052 30 50 EGEA Cc1nsc(NCc2cccnc2OCC(F)(F)F)c1C#N 253415471 YBLPQJTXGSJWDA-UHFFFAOYSA-N 328.319 3.271 30 50 EGEA Cc1cc2cc(S(=O)(=O)N(C)[C@@H](C)CC#N)ccc2nc1Cl 292949920 BLUZQTVAWWRTQR-NSHDSACASA-N 337.832 3.119 30 50 EGEA COc1ccc(C(F)(F)C(=O)NCC(F)(F)C(F)(F)F)cc1 1875274773 ZCNTXWJRONBPFH-UHFFFAOYSA-N 333.203 3.101 30 50 EGEA N#Cc1ccc(N2CCCN(c3cc(C(F)F)ncn3)CC2)cc1 2325764375 KPICHNVWDDXBDJ-UHFFFAOYSA-N 329.354 3.003 30 50 EGEA C#CCCC1(CCC(=O)Nc2ccc(N3CCCCC3=O)cc2)N=N1 2325900445 ZGXIJTAIUCVSIU-UHFFFAOYSA-N 338.411 3.498 30 50 EGEA C=CCc1cc(C)ccc1OCCC(C(=O)OCC)C(=O)OCC 3003804 GUXOIFJVMZMOPP-UHFFFAOYSA-N 334.412 3.235 30 50 EGEA C=CCN(Cc1cccc(OC)c1)C(=O)Cn1nc(C)c(C)c1C 55401095 YGRLJIROKNBTIK-UHFFFAOYSA-N 327.428 3.032 30 50 EGEA C/C(C[C@]1(O)C(=O)Nc2ccccc21)=N\Nc1cccc2cccnc12 22342678 BCRPQKQWGRZSBN-VMHRPQTGSA-N 346.390 3.253 30 50 EGEA CCS[C@@H]1CC[C@H](/N=C(/O)N2CCC[C@@H](C3(C)OCCO3)C2)C1 328593464 YHLWSBLDZXHMEZ-QLFBSQMISA-N 342.505 3.050 30 50 EGEA N#Cc1ccc(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cn1 253433475 XLSRSYHKBYUDKM-UHFFFAOYSA-N 347.344 3.448 30 50 EGEA CCc1ccc2occ(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)c2c1 408516495 ZWIWBWHSBHZICS-CQSZACIVSA-N 333.347 3.351 30 50 EGEA O=C(O/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1Br 284497 SEDSNYYHJUUSFJ-VGOFMYFVSA-N 339.101 3.141 30 50 EGEA CC1(C)OB(c2cccc(NC(=O)N3CCCCC3)c2)OC1(C)C 169955858 LDEPAKFSPUQKCJ-UHFFFAOYSA-N 330.237 3.004 30 50 EGEA Cn1cc(CN[C@@H]2CCO[C@@H](C3CC3)C2)c(-c2ccc(C#N)cc2)n1 156809317 IHNIFACETKEESN-RTBURBONSA-N 336.439 3.006 30 50 EGEA Cc1sc(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)O)c(C#N)c1C 4845014 GFZMQNUBHCITLC-GHMZBOCLSA-N 338.816 3.409 30 50 EGEA CC1(C)OB(C[C@@H]2CCN(C(=O)OCC(F)(F)F)C2)OC1(C)C 1875370419 OEGLTZHFVVSIHD-JTQLQIEISA-N 337.147 3.099 30 50 EGEA Cc1ccc2c(N3CCN(Cc4cncc(C#N)c4)CC3)ccnc2c1 2325789185 BYHZQVBFBXLXCU-UHFFFAOYSA-N 343.434 3.132 30 50 EGEA C=CCN1C(=O)N(c2ccc(C#N)cc2)C(=O)[C@H]1Cc1ccccc1 349260225 COUIZQATSBABEJ-GOSISDBHSA-N 331.375 3.124 30 50 EGEA Cc1nc(S)sc1CC(=O)N[C@@H](CCC#N)c1ccccc1 153687935 CVFKDFUPZDTOJB-ZDUSSCGKSA-N 331.466 3.444 30 50 EGEA Cc1ccc(C#N)c(N2CC[C@]3(CCCN(C4CCCC4)C3=O)C2)n1 91780287 WYXGBDOLDQNFCC-HXUWFJFHSA-N 338.455 3.023 30 50 EGEA C=CC[C@]1(CO)CCCN(C(=O)Cc2cc(F)c(F)cc2Cl)C1 91781796 XVBBETPQDZFVTN-KRWDZBQOSA-N 343.801 3.338 30 50 EGEA COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)CC(C)(C)C 712289856 JBCCPZSOLHEHMC-UHFFFAOYSA-N 347.264 3.369 30 50 EGEA Cc1ccc(CC/C(O)=N/[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)o1 328612970 QLFPBKANAWOTDN-YJBOKZPZSA-N 331.416 3.358 30 50 EGEA C=CCNc1ncnc2sc(C(=O)N3C[C@H]4CC[C@H]3C4)c(C)c12 101271061 YPBSIIACEPVMHU-RYUDHWBXSA-N 328.441 3.222 30 50 EGEA C=CCC(O)(CC=C)CNC(=O)c1cc(C)nc2cc(OC)ccc12 20819420 SYXXDSDCZPGFJA-UHFFFAOYSA-N 340.423 3.165 30 50 EGEA Cc1ccccc1[C@H]1CCCN(C(=O)c2cc(C#N)c(O)nc2C)C1 77358878 SSLAZGKBESQMDY-HNNXBMFYSA-N 335.407 3.296 30 50 EGEA Cn1nccc1C1CCN(/C(O)=N/[C@@H]2CCCC(F)(F)C2)CC1 330218330 JFXLHJBBJNIDLN-CYBMUJFWSA-N 326.391 3.091 30 50 EGEA CC(C)(C)c1cc(NC(=O)[C@H]2CCOC2)n(-c2ccc(C#N)cc2)n1 241719949 QRAKFAYQDUEQLR-AWEZNQCLSA-N 338.411 3.016 30 50 EGEA CCN(CCOC)C(=O)c1cccc(-c2ccc(F)c(C#N)c2)c1 426522830 AYUIQLZFNAQADV-UHFFFAOYSA-N 326.371 3.473 30 50 EGEA N#C[C@]1(NC(=O)c2ccc(C(F)(F)F)nc2)CCc2ccccc2C1 183936592 WKGZFOLANGMZAY-KRWDZBQOSA-N 345.324 3.281 30 50 EGEA Cc1ccc(S(=O)(=O)Nc2cc(C#N)cnc2Cl)c(Cl)c1 170609107 XGVAPPCOCGSROK-UHFFFAOYSA-N 342.207 3.369 30 50 EGEA Cc1nn(-c2ccccc2)c2nc(C(=O)NC3(C#N)CCCC3)ccc12 194702554 IBTSKBUWSQFCFQ-UHFFFAOYSA-N 345.406 3.295 30 50 EGEA O=C1/C(=N\Nc2ccc(Cl)cc2)Oc2c1c(=O)oc1ccccc21 2325809610 OIHOUDCDXCJUHI-CAPFRKAQSA-N 340.722 3.447 30 50 EGEA C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C/C=C1\C=COC1=O 201355984 YIIRVUDGRKEWBV-CZUXAOBFSA-N 332.440 3.115 30 50 EGEA biogenic,in-vitro O=C1CN2C(=C1c1ccccc1)NC(=O)c1c2sc2c1CCCC2 101381166 FPYFAIAZVCZXJE-UHFFFAOYSA-N 336.416 3.128 30 50 EGEA CCCCCCCCCCCCNC(=O)C[n+]1ccc(C(N)=O)cc1 100857525 GWPKRJBFJIHNBD-UHFFFAOYSA-O 348.511 3.110 30 50 EGEA C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC/C2=C/CO 257356029 FIMYJWIQTVIDQB-DRVFTGSSSA-N 328.452 3.184 30 50 EGEA CC1(C)OB(c2cccc(NC(=O)NC3CCCCC3)c2)OC1(C)C 382635940 CGJCWUWDGMPETC-UHFFFAOYSA-N 344.264 3.440 30 50 EGEA CC(C)C#CC(=O)N1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 952894087 PLTZZZBFXOUJIR-UHFFFAOYSA-N 335.451 3.443 30 50 EGEA COc1ccc(C(=O)/C=C/Nc2ccc([N+](=O)[O-])cc2OC)cc1 4663145 GDVQMLFODNNIPT-MDZDMXLPSA-N 328.324 3.421 30 50 EGEA Cc1nn(-c2cccc(F)c2)cc1C(=O)N(CC#N)C1CCCC1 413478134 HWVIFWIXZJUPFG-UHFFFAOYSA-N 326.375 3.228 30 50 EGEA N#CCC(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl 225397377 MUAPHVZDKIKGMG-ZDUSSCGKSA-N 340.210 3.227 30 50 EGEA C=C(C)COc1ccccc1CN(CCOC)C1CCN(C)CC1 55197396 XIMIPQTXLKYTRJ-UHFFFAOYSA-N 332.488 3.184 30 50 EGEA Cc1ccc(OCCN(C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 137618032 PWRAZKNDNGQZRV-KRWDZBQOSA-N 343.471 3.037 30 50 EGEA Cc1ccc(CS(=O)(=O)/N=C(/O)[C@@H]2C[C@H]2c2cccnc2)c(F)c1 328594511 POHLIILZCSCCRZ-LSDHHAIUSA-N 348.399 3.119 30 50 EGEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(O)=Nc1ccsc1 328617213 CMFSLEXGWOMWGD-HOCLYGCPSA-N 330.457 3.313 30 50 EGEA CC(C)/N=C(/O)c1cnn2c1C[C@H](C/N=C(/O)c1ccsc1)CC2 328604422 JROOLNMQFVIVNR-GFCCVEGCSA-N 346.456 3.225 30 50 EGEA Cc1ccc(C#N)cc1S(=O)(=O)N1CCCC[C@H]1c1nccs1 175387776 VZNLCAJAVJIDNO-AWEZNQCLSA-N 347.465 3.239 30 50 EGEA COc1cc(NC2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc(OC)c1 293931275 YWJBTWSEQFAWRK-YOEHRIQHSA-N 329.444 3.272 30 50 EGEA N#CCCN(C(=O)c1ncncc1Cl)C12CC3CC(CC(C3)C1)C2 187055753 YJMVMNABTFVYGS-UHFFFAOYSA-N 344.846 3.455 30 50 EGEA COc1cccc(/C=N/NC(=S)Nc2cccc(Cl)c2)c1O 731165 XZHWGPFENLIUTI-RQZCQDPDSA-N 335.816 3.375 30 50 EGEA Cc1ccc(C(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)c(Cl)c1 13635719 IUHWGWXSXUCYMP-UHFFFAOYSA-N 347.758 3.228 30 50 EGEA C[C@@H]1CCC[C@@H](CC(=O)NC2CCN(c3ccncc3C#N)CC2)C1 1875339222 XBAZVGWYEWDKRE-HZPDHXFCSA-N 340.471 3.255 30 50 EGEA CO/N=C/c1c(Sc2ccc(C)cc2)nc2ccccn2c1=O 2994439 ZLMHSPHCSZNPJE-WOJGMQOQSA-N 325.393 3.134 30 50 EGEA C=CCN(Cc1ccccc1C)C(=O)c1ccc(-n2cnnc2)cc1 55281412 YLRPDFUEQZMYSK-UHFFFAOYSA-N 332.407 3.404 30 50 EGEA CN(Cc1ccccn1)[C@@H]1CCCN(/C(O)=N/[C@H]2C=CCCC2)CC1 328632922 LOZVCTYBHNEOKH-PKOBYXMFSA-N 342.487 3.391 30 50 EGEA N#Cc1ccccc1C(=O)N[C@H](c1ccc(F)cc1F)[C@H]1C[C@@H](O)C1 243892980 ANAOCIVPOMRMOM-WRSAYESZSA-N 342.345 3.078 30 50 EGEA C[C@@H](NC(=O)N1CCC(C#N)CC1)c1cnn(-c2ccc(F)cc2)c1 534649373 VQRCATYJABUOCA-CYBMUJFWSA-N 341.390 3.018 30 50 EGEA C=CCOc1ccccc1CN1CCCN(C(=O)C2CCC2)CC1 670466321 PJRIOTAPNUDPIW-UHFFFAOYSA-N 328.456 3.086 30 50 EGEA C[C@@H]1C[C@@H]1c1nc(C#N)c(N2CCN(c3ccccc3F)CC2)o1 1775965148 GJCGXVGPTJERKT-OLZOCXBDSA-N 326.375 3.135 30 50 EGEA C=CCCC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2Cl)C1 12031215 DXOZJFJGHCYVBQ-AWEZNQCLSA-N 334.847 3.275 30 50 EGEA C#CCCC1(CCC(=O)N2C[C@H](N(C)C)CCc3ccccc32)N=N1 952879855 BWNMRJGRKDNMLK-QGZVFWFLSA-N 338.455 3.252 30 50 EGEA C#CCCC1(CCC(=O)N2CCc3cc(OC)c(F)cc3C2)N=N1 952879151 ALXFECXGPXHNHM-UHFFFAOYSA-N 329.375 3.075 30 50 EGEA Cn1cc(NC(=O)c2csc(-c3cccc(Cl)c3)n2)c(C#N)n1 2325828508 JBDXJKLDZGRXHT-UHFFFAOYSA-N 343.799 3.321 30 50 EGEA Cc1nc2c(s1)CCC[C@@H]2CN(C)/C(O)=N/C[C@H]1CCCCO1 328618062 DIMUSWNVFLFEBS-ZIAGYGMSSA-N 337.489 3.286 30 50 EGEA CC(C)(C)OC(=O)N1CCC(/N=C(/O)N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]32)CC1 328598506 MIWRLOKJBDIMKS-WMHQRMGPSA-N 349.475 3.030 30 50 EGEA C=CCc1cc(C(=O)N[C@@H](C)c2nc(C(C)C)no2)ccc1OC 299787752 YAXHNIZXTHNRCM-LBPRGKRZSA-N 329.400 3.421 30 50 EGEA C=CCNC(=O)N1CCC[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 14949629 WJAQQCYOCDJHMS-CYBMUJFWSA-N 340.345 3.496 30 50 EGEA O/C(CSc1n[nH]c(O)n1)=N/C1CC(c2cccc(Cl)c2)C1 328587126 NKIRCGJSLGXOOB-UHFFFAOYSA-N 338.820 3.159 30 50 EGEA COc1ccc(/C=N/OCC(=O)O[C@@H]2c3ccccc3C[C@@H]2F)cc1 1875266509 HUIIFMMNDHBJFH-XQOBYBSRSA-N 343.354 3.224 30 50 EGEA C#CC(=O)Nc1cc(OC)c(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1Cl 1875387860 BCHLZFABNOYXPT-SMDDNHRTSA-N 348.830 3.229 30 50 EGEA N#Cc1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCCO4)nc12 2743762 IAGIHKCISVXZJI-UHFFFAOYSA-N 346.268 3.058 30 50 EGEA C=CCCC(=O)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 71751619 ZJKUDJMKILSTEY-OAHLLOKOSA-N 327.346 3.442 30 50 EGEA C=CCOC(=O)[C@@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]6[C@@H]7[C@H]4[C@@H]4[C@H]8C[C@H]([C@H]43)[C@@H]1[C@@H]1C[C@H]([C@@H]87)[C@H]6[C@@H]1[C@H]52 257357270 MXXJXNBNZOAERM-LRGCGOAMSA-N 346.470 3.094 30 50 EGEA O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCCC[C@H]1C(=O)O 911152532 YTWXENJTHCLIJA-RBUKOAKNSA-N 348.402 3.311 30 50 EGEA CN(c1oc(-c2cccs2)nc1C#N)S(=O)(=O)c1ccccc1 1857798396 CSNZVYKJNQMXHD-UHFFFAOYSA-N 345.405 3.100 30 50 EGEA N#CCN(CC#N)C(=O)c1cc(-c2ccccc2)nc2ccccc12 549791 AJIGJYSQWJYMPN-UHFFFAOYSA-N 326.359 3.391 30 50 EGEA N#CC1(c2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@@H]3O)cc2)CC1 225618737 YARWZKPHFHRKLL-QRVBRYPASA-N 338.451 3.397 30 50 EGEA Cc1nc([C@@H]2CCCN(c3cccc(C#N)n3)C2)cc(N2CCCC2)n1 72477318 ZTPXBUFTBISHHG-MRXNPFEDSA-N 348.454 3.036 30 50 EGEA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2c1ccc(C#N)cc1[N+](=O)[O-] 253392470 AWTYHTXVXFVQFR-GOOCMWNKSA-N 337.383 3.115 30 50 EGEA CC1(C)[C@H]2OCC[C@H]2[C@H]1NCC1CCN(c2ccccc2C#N)CC1 369327217 PKVBRXVEQFYKMN-SXLOBPIMSA-N 339.483 3.178 30 50 EGEA CN1CCCC[C@H]1CCC(=O)N1CCC(C#N)(c2ccccc2)CC1 95357862 JUOYGULCILMIDZ-IBGZPJMESA-N 339.483 3.335 30 50 EGEA CCc1ccnc(C/N=C(/O)N2CCCC[C@H]2c2ccnn2C)c1 329610268 NSRXCSJOECWTET-KRWDZBQOSA-N 327.432 3.019 30 50 EGEA N#Cc1ccc(N2CCO[C@@H](c3ccccc3Br)C2)cn1 241139469 JREGGYYYVUSBLY-MRXNPFEDSA-N 344.212 3.294 30 50 EGEA C=CCc1ccc(OCCN2CCC(C(=O)OCC)CC2)c(OC)c1 6701710 ODCCGBAZOWECBT-UHFFFAOYSA-N 347.455 3.078 30 50 EGEA C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)Nc2[nH]nc(CC)c21 67676204 PBIFTMWKMXJKDR-ZDUSSCGKSA-N 341.411 3.410 30 50 EGEA Cc1noc([C@@H](/N=C(/O)c2cccc3cc[nH]c23)C2CCOCC2)n1 328612046 NQCWQDVRINLFEI-INIZCTEOSA-N 340.383 3.332 30 50 EGEA N#Cc1ccc(F)c(CN2CCOC[C@@H]2CC(=O)c2cccs2)c1 154447654 VGCSBHDGVQXWOZ-HNNXBMFYSA-N 344.411 3.233 30 50 EGEA Cn1cc(CN2CCC([C@@H](O)CCc3ccccc3)CC2)cc1C#N 72435595 SMFBMJGGWWSCPU-NRFANRHFSA-N 337.467 3.102 30 50 EGEA N#C[C@H]1CN(c2nc3ccccc3s2)C[C@]12C(=O)Nc1ccccc12 241644420 PQOMZINQJDXRQC-BUXKBTBVSA-N 346.415 3.146 30 50 EGEA N#Cc1ccccc1-c1cccc(C(=O)N2CCN(CC3CC3)CC2)c1 426430623 FFUICKACGPAPIU-UHFFFAOYSA-N 345.446 3.393 30 50 EGEA C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@@]2(C)/C(=C\CO)CC[C@H]12 257356032 FIMYJWIQTVIDQB-KRLIUDDKSA-N 328.452 3.184 30 50 EGEA C=CCc1cc(C=Cc2ncc(C(=O)NC)s2)cc(OC)c1O 1857532382 AGLHYEOKTPGJNV-UHFFFAOYSA-N 330.409 3.116 30 50 EGEA CC1(C)OB(c2ccc(NC(=O)c3ccc(F)cc3)cc2)OC1(C)C 404932724 FQXFWLOPMUQGRI-UHFFFAOYSA-N 341.191 3.377 30 50 EGEA C#CCCC1(CCC(=O)Nc2ccc3oc(C(=O)O)cc3c2)N=N1 952876215 GZPXYEKLAOBXPK-UHFFFAOYSA-N 325.324 3.425 30 50 EGEA C#CCCC1(CCC(=O)N2CC[C@@H]2Cc2ccc(OC)cc2)N=N1 952881267 LUVSHKBXGBYJQS-MRXNPFEDSA-N 325.412 3.194 30 50 EGEA CC1(C)OB(c2cccc(Oc3ccc(N)cc3F)c2)OC1(C)C 170006424 PEWRXMLADWGLKU-UHFFFAOYSA-N 329.180 3.499 30 50 EGEA Cc1cc(C)n(CCCN(C)Cc2ccc(C#CC(C)(C)O)cc2)n1 823708546 OKJICAMDRYFMGA-UHFFFAOYSA-N 339.483 3.144 30 50 EGEA C=C(C)CN1CCN(Cc2cc3ccc(Cl)cc3nc2O)CC1 952961478 MDEYLOZARZNPFV-UHFFFAOYSA-N 331.847 3.288 30 50 EGEA CCn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)c1cc2ccccc2o1 328632447 RVTXMXAGLNKZDK-BBRMVZONSA-N 325.368 3.484 30 50 EGEA Cc1nc(/C(O)=N/[C@H]2CCOC(C)(C)C2)c(Br)s1 328592870 UYSXBWPXCQWIIV-QMMMGPOBSA-N 333.251 3.476 30 50 EGEA C#CCCC1(CCC(=O)NC[C@@H]2CCCN2C2CCCCC2)N=N1 2325892610 UFJLJOJHPDVUJY-KRWDZBQOSA-N 330.476 3.255 30 50 EGEA C[C@]1(N/C(O)=N/CCc2nc3c(s2)CCCC3)CCO[C@H]1C1CC1 328587293 WVWVOJQIQBFKAG-WMZOPIPTSA-N 349.500 3.026 30 50 EGEA C=CCc1cccc(C(C)C)c1NC(=O)N1CCN2CCOC[C@H]2C1 253427557 CNAAVUYYXYQPHA-QGZVFWFLSA-N 343.471 3.087 30 50 EGEA Cc1ccccc1[C@@H]1CCCN(C(=O)c2cc(C#N)c(O)nc2C)C1 77358875 SSLAZGKBESQMDY-OAHLLOKOSA-N 335.407 3.296 30 50 EGEA C[C@]12CC[C@@H]3[C@H](CC[C@]45O[C@H]4OC(=O)CC[C@]35C)[C@H]1CC[C@@]2(C)O 257356186 GRVLFUXZSFWPQB-BFJGMBQPSA-N 334.456 3.412 30 50 EGEA C#CCCC1(CCC(=O)Nc2cc(C(=O)O)ccc2OC(C)C)N=N1 952876297 LGZJWLGSCOMXRZ-UHFFFAOYSA-N 343.383 3.466 30 50 EGEA CCOC(=O)c1ccccc1N(C)C(=O)c1ccc(F)c(C#N)c1 241776775 RSKZDBRTVCQVTM-UHFFFAOYSA-N 326.327 3.151 30 50 EGEA C#CCCC1(CCC(=O)Nc2cccc(-c3nc(C)cc(O)n3)c2)N=N1 2325892122 AEILOTMEHVFGQE-UHFFFAOYSA-N 349.394 3.452 30 50 EGEA CC(C)(C)n1cc(C#N)cc1NC(=O)Cn1ccc2ccccc2c1=O 279317684 OZFNXOYTWPSERW-UHFFFAOYSA-N 348.406 3.068 30 50 EGEA CC(O)=Nc1ccc(N2C(=O)CN(C(C)C)C2=O)c(C(F)(F)F)c1 328595323 RFKYHWFNSVULLP-UHFFFAOYSA-N 343.305 3.490 30 50 EGEA Cc1noc([C@@H](/N=C(/O)c2cc3ccccn3c2)C2CCOCC2)n1 328611814 MSGBBMSQCGVQME-INIZCTEOSA-N 340.383 3.103 30 50 EGEA O=C1CCC(c2ccccc2)=C1CC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 77298706 OGUOTRMWINVBIX-MRXNPFEDSA-N 349.434 3.323 30 50 EGEA CC#CCN[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 182308158 IPSGSESYRMSFBM-GOSISDBHSA-N 349.402 3.071 30 50 EGEA N#CC1(c2ccccc2)CCN(C(=O)NCCCc2ccco2)CC1 534633046 SFPFJIXGMINZOY-UHFFFAOYSA-N 337.423 3.479 30 50 EGEA N#C[C@@H](C(=O)c1cccc2nc(O)oc12)c1nc(C2CC2)cs1 647378509 BCQKJOUDKAQVQU-JTQLQIEISA-N 325.349 3.357 30 50 EGEA CC(C)(O)C#Cc1ccc(C(=O)N(Cc2ccc(O)cc2)C2CC2)cc1 1506419227 XNMJEEXBFIZDQT-UHFFFAOYSA-N 349.430 3.319 30 50 EGEA CCCOc1ccc(NC(=O)CSc2ncccc2C#N)cc1 16648356 XMWIXBOILZLEOS-UHFFFAOYSA-N 327.409 3.473 30 50 EGEA CC1(C)OB(c2cn(Cc3ccccc3)c3ncccc23)OC1(C)C 169745778 TXYJAQWDYBJALP-UHFFFAOYSA-N 334.228 3.384 30 50 EGEA N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H]1c1ccc(N)nn1 886086281 SHXWULDSOFUBHP-CQSZACIVSA-N 333.317 3.291 30 50 EGEA Cc1cc(C)cc([C@@H]2CCCN2C(=O)N=c2[nH]cc(C#N)s2)c1 2325781737 DNTXWCKZDMZBAB-HNNXBMFYSA-N 326.425 3.423 30 50 EGEA C#CCCC1(CCNC(=O)c2ccc3cnc(C4CC4)n3c2C)N=N1 2325887442 RYGGBBVEQZQBSH-UHFFFAOYSA-N 335.411 3.216 30 50 EGEA COc1ccc(-c2nc(C#N)c(N3CCC[C@H](C)C3)o2)cc1OC 1857799580 MFOFWBQTQCOPSG-LBPRGKRZSA-N 327.384 3.467 30 50 EGEA CC1(C)OB(c2ccc([C@H](N)c3cccc(F)c3)cc2)OC1(C)C 170007614 NSEWNXGEISRRJV-KRWDZBQOSA-N 327.208 3.173 30 50 EGEA COc1cccc([C@@H]2C[C@@H](O)CN2Cc2ccc(F)cc2C#N)c1 337507745 GPFGMJCLEGRNIN-MJGOQNOKSA-N 326.371 3.014 30 50 EGEA C[C@H]1C[C@@H]2[C@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@]3(C)O)[C@]2(C)CCC(=O)C=C12 257357098 LZRQDFQQYIQZLG-IFFLVSEMSA-N 332.484 3.486 30 50 EGEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)CCc1nc(-c2ccco2)no1 1506405314 ZCAMGUIUMKASOB-ZIAGYGMSSA-N 327.384 3.384 30 50 EGEA CCn1ncnc1C/N=C(/O)N1CCC[C@H]1Cc1ccccc1Cl 328589022 XWFFBOMRQIITOW-AWEZNQCLSA-N 347.850 3.073 30 50 EGEA Cc1noc(C2CC2)c1N=C(O)N[C@]1(CO)CCCc2ccccc21 328589009 ZXKHFPGLUZAIGU-IBGZPJMESA-N 341.411 3.220 30 50 EGEA C#CCCC1(CCC(=O)Nc2ccc(C)c(O[C@@H]3CCOC3)c2)N=N1 2325892402 LZENGELCASUWQL-MRXNPFEDSA-N 341.411 3.457 30 50 EGEA O=C(C[n+]1cccc(NC(=O)c2ccccc2)c1)c1ccc(F)cc1 3129735 UYPXDKSTXJBKNR-UHFFFAOYSA-O 335.358 3.248 30 50 EGEA O=C(N/C=N/c1ccc(F)cc1)C(F)(F)C(F)(F)C(F)(F)F 102309080 ZZJNACJVPUWCSO-UHFFFAOYSA-N 334.166 3.435 30 50 EGEA CCn1nccc1[C@@H]1OCC[C@H]1C(O)=Nc1nc2ccccc2[nH]1 328637451 VYVPROUDPCJNBA-IAQYHMDHSA-N 325.372 3.145 30 50 EGEA C[C@@H]1OCC[C@@]1(C)/N=C(/O)C1CCN(c2ccc(C#N)cc2F)CC1 329081472 DBRJBCYBBGWRGE-ORAYPTAESA-N 345.418 3.438 30 50 EGEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)c1cnc2sc(C)c(C)n2c1=O 216521980 QJEMWFGFNLGDJQ-FZMZJTMJSA-N 343.452 3.108 30 50 EGEA C=C(COc1ccc(Br)cc1C(F)(F)F)C(=O)O 2325852036 QMOUPJMOELOHMF-UHFFFAOYSA-N 325.080 3.488 30 50 EGEA C=CCNC(=O)c1sc(=S)n(-c2ccc(OCC)cc2)c1N 2597504 GFFUJHWMVNAPQR-UHFFFAOYSA-N 335.454 3.165 30 50 EGEA N#C[C@H]1CCC[C@H]1NC(=O)c1csc(=Nc2cc(F)cc(F)c2)[nH]1 450039880 GJZPJCHSJABJIF-NOZJJQNGSA-N 348.378 3.009 30 50 EGEA N#CC1(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CCCC1 372918860 WAOWZZIHSROYEA-XLIONFOSSA-N 344.430 3.100 30 50 EGEA C#CCCCC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C 496400981 GXEPRQSYZIPGPO-INIZCTEOSA-N 348.487 3.428 30 50 EGEA N#Cc1ccc(N2CCO[C@@H](c3cccc(Br)c3)C2)cn1 176881906 DIHJSZKHAMBNPR-MRXNPFEDSA-N 344.212 3.294 30 50 EGEA O=S(=O)(/N=C(\c1ccccc1)N1CCCC1)c1ccc(F)cc1 16448512 MYTWEDIXBYJHDD-HTXNQAPBSA-N 332.400 3.057 30 50 EGEA C#CCCC1(CCC(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)N=N1 952882315 UEASDGZZQZCSBU-CQSZACIVSA-N 341.415 3.356 30 50 EGEA O/C(=N/Cc1cc(Cl)sc1Cl)[C@H]1CCc2nn[nH]c2C1 328960845 KMCXJPORVQCJCD-LURJTMIESA-N 331.228 3.435 30 50 EGEA CCCCCCCCCCC[C@H](O)CC(=O)N[C@@H]1CCOC1=O 101234515 IKQUESGRCDRZTI-JKSUJKDBSA-N 327.465 3.090 30 50 EGEA O=C1c2ccccc2N[C@H](c2ccc(Br)s2)N1O 374745 SYXGNGJIEGEIHB-NSHDSACASA-N 325.187 3.466 30 50 EGEA N#Cc1cc(NC(=O)N2CC[C@H](CN3CCCCC3)C2)ccc1F 120092068 CRFFJUWJJRGOPM-CQSZACIVSA-N 330.407 3.037 30 50 EGEA Cc1ncsc1CN(C)C[C@H]1CCN(c2snc(C)c2C#N)C1 329181792 DZGQQEBLRFNCQZ-CYBMUJFWSA-N 347.513 3.046 30 50 EGEA C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1 218012541 GWAYEODKMGWQNE-OAHLLOKOSA-N 326.348 3.344 30 50 EGEA biogenic C=CCN1CC2(CCC1=O)CCN(Cc1cc(OC)ccc1F)CC2 91915225 CIHAIFNOKNMZOJ-UHFFFAOYSA-N 346.446 3.225 30 50 EGEA N#Cc1ccc(CN2CC[C@@H](NC/C=C/c3ccc(F)cc3)C2=O)cc1 192244597 SENJQGZAVHKDFF-IUINOXSKSA-N 349.409 3.101 30 50 EGEA COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1O 13496820 YLHPIBGTWWOHJL-GHXNOFRVSA-N 329.739 3.399 30 50 EGEA Cc1cc(S(=O)(=O)N2CCc3sccc3[C@H]2C)ccc1C#N 318495237 CRDQTXZJCZKPKF-GFCCVEGCSA-N 332.450 3.236 30 50 EGEA C[C@H]1CN(Cc2ccccc2CNCc2ccc(C#N)o2)C[C@H](C)O1 237621488 ZCUYLSSYPBLUHD-HOTGVXAUSA-N 339.439 3.050 30 50 EGEA CC(C)CCc1noc([C@]2(C#N)CCCN(C(=O)OC(C)(C)C)C2)n1 1875290749 BWBLOIDLWRAMSH-SFHVURJKSA-N 348.447 3.450 30 50 EGEA C=CCN(Cc1ccccc1C)C(=O)c1ccc2c(c1)ncn2CCO 55386280 DGIBPZGJPJWMTC-UHFFFAOYSA-N 349.434 3.165 30 50 EGEA N#CC1(C(=O)N2CCOc3ccc(Br)cc3C2)CCCC1 252488758 IYGXALGRAMNUQM-UHFFFAOYSA-N 349.228 3.254 30 50 EGEA Oc1ccc(Cl)cc1[C@H](C#Cc1ccccc1)N1CCOCC1 19770600 AEMGXLDTHKNMOY-SFHVURJKSA-N 327.811 3.471 30 50 EGEA CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cnccc21 169810111 HMMFPFCRVNJLSY-UHFFFAOYSA-N 344.220 3.119 30 50 EGEA CN1CCc2ccc(N=C(O)c3coc(C4CCOCC4)n3)cc21 328776369 FNGCZEPNMCIUGV-UHFFFAOYSA-N 327.384 3.197 30 50 EGEA CCOC(=O)Nc1ccc(N[C@H]2CCN(CC)C[C@@H]2C)cc1C#N 221871601 ZXSGBXNEHQCLPD-BBRMVZONSA-N 330.432 3.269 30 50 EGEA C=CCn1c(N2C(=O)C[C@H](Cc3ccccc3)C2=O)nc2ccccc21 100490017 RHYPBGIAQHMDKS-INIZCTEOSA-N 345.402 3.345 30 50 EGEA CCOc1ccc2c(c1)C(=O)/C(=C/NCCc1ccccn1)S2 100233032 VJLCQAYVYMDNAY-ATVHPVEESA-N 326.421 3.442 30 50 EGEA C[C@H](C#N)CSc1ccccc1NC(=O)CCNC(=O)[C@H]1C[C@H]1C 252467400 HYBDWEWLSMXGEV-MCIONIFRSA-N 345.468 3.039 30 50 EGEA COC(=O)c1ccc(C/N=C(/O)[C@](C)(OC)c2ccccc2F)nc1 328591353 PBMFABPOUKKHSV-GOSISDBHSA-N 346.358 3.026 30 50 EGEA N#CCCN(CC(F)(F)F)C(=O)c1ccc(C(F)(F)F)nc1 177619330 MPOFNVSAXNGVOD-UHFFFAOYSA-N 325.212 3.019 30 50 EGEA C=CC[C@@]1(C(=O)O)CCCN(Cc2ccc(OC)c(COC)c2)C1 91829592 KLOJPQFRXJPJHS-LJQANCHMSA-N 333.428 3.085 30 50 EGEA N#C[C@@H](CO)Cc1cc(-c2ccc([C@H]3CCC(=O)N3)cc2)ccc1F 904833594 PCTIEOKRMUNMAF-ORAYPTAESA-N 338.382 3.118 30 50 EGEA CCn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1ccc(C#N)cc1 1325252030 GITGMSZAMUGSLD-UHFFFAOYSA-N 347.422 3.482 30 50 EGEA N#Cc1cc(N(Cc2ccccc2)C[C@H](O)c2cccs2)ncn1 408514524 KYZJZAWXKYUOAH-INIZCTEOSA-N 336.420 3.150 30 50 EGEA N#Cc1cccc(C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)c1 19772092 ZJZDSBFYEFAWQX-HXUWFJFHSA-N 334.419 3.014 30 50 EGEA CC(=O)N(C1CCC1)[C@@H]1CCCN(/C(O)=N/[C@@H]2C=CCCC2)CC1 328655244 YFIYOSTVWBHZDL-SJLPKXTDSA-N 333.476 3.265 30 50 EGEA C#CCCC1(CCC(=O)NCC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)N=N1 952883230 VGEITABPKKKMTK-IYBDPMFKSA-N 332.492 3.215 30 50 EGEA O/C(=N/CCn1ccnc1)N1CCCC[C@@H]1c1ccc(F)cc1F 328588536 SBNLSTYDAVMKTJ-MRXNPFEDSA-N 334.370 3.303 30 50 EGEA N#Cc1ncccc1S(=O)(=O)N1CCCC[C@@H]1c1ccc(F)cc1 253432676 MOEFAPWQDGRORI-MRXNPFEDSA-N 345.399 3.008 30 50 EGEA Cc1ncc(S(=O)(=O)N2C[C@@H](C(C)C)c3ccccc32)cc1C#N 331920979 HHHOFELJMINBPC-KRWDZBQOSA-N 341.436 3.210 30 50 EGEA CCOC(=O)c1noc(C)c1CSc1nc(C)cc(C)c1C#N 13641040 SFQXHGLLDKPYID-UHFFFAOYSA-N 331.397 3.336 30 50 EGEA CCOC(=O)C(CCCCC#N)(Oc1ccccc1)C(=O)OCC 44125552 IURIQHBXJWHODS-UHFFFAOYSA-N 333.384 3.014 30 50 EGEA Cc1nc(N2CCC(C#N)(c3ccccc3)CC2)cc([C@H]2C[C@@H](N)C2)n1 243893127 AOBASNSPGARLLC-MAEOIBBWSA-N 347.466 3.052 30 50 EGEA C#CCCCCC(=O)OCc1snc(OC)c1Br 888099807 YDUQCAINKFIDQP-UHFFFAOYSA-N 332.219 3.151 30 50 EGEA COc1cccc2cc(-c3cc(-c4cnn(C)c4)c(C#N)c(N)n3)oc12 71415594 XGSSAHUIVJYOJU-UHFFFAOYSA-N 345.362 3.358 30 50 EGEA CC1(C)OB(c2cnc3cc(Br)ccc3c2)OC1(C)C 1772572639 FSOSOBUSDDSGHS-UHFFFAOYSA-N 334.022 3.297 30 50 EGEA C=CCOc1ccc(Cl)cc1/C=C1\SC(NC(C)=O)=NC1=O 2812549 XIATVVHVMGCUCW-JYRVWZFOSA-N 336.800 3.011 30 50 EGEA N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc[nH]n2)cc1 343586101 RPXHGGVPDOIYJA-UHFFFAOYSA-N 334.354 3.263 30 50 EGEA N#CCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 39247014 OKWFOVTZQZAELI-UHFFFAOYSA-N 333.782 3.338 30 50 EGEA Cn1cc(-c2cc(-c3cc(F)c(F)cc3F)nc(N)c2C#N)cn1 71757246 IUZDOIVEUXKUFV-UHFFFAOYSA-N 329.285 3.020 30 50 EGEA C[C@H](Sc1cccc(C#N)c1)C(=O)N1CC(=O)Nc2ccccc21 158748386 AOSOMUOCCODGFZ-LBPRGKRZSA-N 337.404 3.024 30 50 EGEA N#Cc1cccc(N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)n1 72149102 YUUKYFOIWNQXIT-CEWLAPEOSA-N 330.435 3.020 30 50 EGEA COc1ccc(/C=N/N=c2\sc3ccccc3n2C)c(OC)c1 15798872 LYZZFMVUZAFKAK-ONMBGNKZSA-N 327.409 3.192 30 50 EGEA C=C[C@H]1OCC[C@@H]1C(=O)Nc1nc2ccc3scnc3c2s1 1857527830 GELMADBZRNZGOB-WCBMZHEXSA-N 331.422 3.436 30 50 EGEA C=CCN1C[C@@H](C)N(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)C[C@H]1C 952961024 ADPHHBWFTRUWAX-HZPDHXFCSA-N 338.455 3.106 30 50 EGEA C#CCCC1(CCC(=O)Nc2ccccc2CN2CCCC2=O)N=N1 1875368777 PECFAROFBQMTLP-UHFFFAOYSA-N 338.411 3.103 30 50 EGEA CC[C@]1(C)NC(=O)N(/N=C2\CCCc3c2[nH]c2ccc(C)cc32)C1=O 1775985696 URDVJNYCDFKYGH-OMNSNBSWSA-N 338.411 3.237 30 50 EGEA CN(C)c1ccnc(-n2cccc2/C=N/OCc2ccccc2)c1C#N 20218985 NGYJEQSGNYFJIF-OEAKJJBVSA-N 345.406 3.361 30 50 EGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1C 135337 SIMCYGHRMFMNDZ-MRXNPFEDSA-N 341.407 3.158 30 50 EGEA C=CCN(Cc1cccnc1)[C@@H](C(=O)O)c1cc(C)ccc1OC 55071623 TZWHEQCTWRMTIA-GOSISDBHSA-N 326.396 3.213 30 50 EGEA CC(C)CN(CC#Cc1ccccc1)C(=O)c1c[nH]c(=O)c(Cl)c1 55132944 KXGCCIPSNSNLTN-UHFFFAOYSA-N 342.826 3.178 30 50 EGEA C=CCOc1c(Cl)cc(C(=O)NCc2nnc(C)o2)cc1Cl 55133090 UHPMFJYDPPBRFW-UHFFFAOYSA-N 342.182 3.180 30 50 EGEA C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1 218012461 GWAYEODKMGWQNE-HNNXBMFYSA-N 326.348 3.344 30 50 EGEA biogenic CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1cc([N+](=O)[O-])ccc1Cl 4913030 XNSUECSSSDXDAY-NSHDSACASA-N 348.786 3.495 30 50 EGEA Cc1cscc1N=C(O)N1CCOC[C@@H]1c1nnc(C(C)C)o1 328637426 VYLDCPCJKBMBNH-GFCCVEGCSA-N 336.417 3.182 30 50 EGEA CCn1cc(-c2cc(-c3cc(F)cc(F)c3)nc(N)c2C#N)cn1 71767855 KOCGBMKXKCMQCP-UHFFFAOYSA-N 325.322 3.364 30 50 EGEA CC1(C)OB(c2ccc(OCc3ccccc3)c(C=O)c2)OC1(C)C 169745806 WCYUTUPOLUMDFG-UHFFFAOYSA-N 338.212 3.377 30 50 EGEA in-vitro N#CCCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1772715897 SXZMTHFJPUIQMP-UHFFFAOYSA-N 340.386 3.488 30 50 EGEA COc1ccc2c(c1)OCC/C2=N\OC(=O)c1ccccc1OC 4838422 GPUKEHGVFPERNZ-XDJHFCHBSA-N 327.336 3.047 30 50 EGEA Cc1occc1/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328645976 ZWYHQFCCEIMPEL-JTQLQIEISA-N 327.306 3.371 30 50 EGEA COc1ccccc1[C@H]1C(C(C)=O)=C(O)C(=O)N1c1ccc(F)cc1 273556 FJTXVAFBMSTRJH-KRWDZBQOSA-N 341.338 3.323 30 50 EGEA C=CCN(Cc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1OC 55270191 ANLJQSWPRRDLRF-UHFFFAOYSA-N 345.464 3.287 30 50 EGEA N#Cc1cncc(N2CCC(c3nc(C(F)(F)F)cs3)CC2)n1 420636788 MVKJQSOMZHPTIE-UHFFFAOYSA-N 339.346 3.208 30 50 EGEA COc1ccc(-c2cc(-c3cnn(C)c3C3CC3)c(C#N)c(N)n2)cc1 67713576 UFCLIQIVAPUXQO-UHFFFAOYSA-N 345.406 3.489 30 50 EGEA N#CCN(CC#N)C(=O)c1ccc2c(Br)cccc2c1 252497191 QBEMGLZLJFAJMY-UHFFFAOYSA-N 328.169 3.092 30 50 EGEA Cc1cnc([C@H](C)C/N=C(/O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)s1 329610228 NRIZONQGMPRQTE-BNOWGMLFSA-N 337.489 3.358 30 50 EGEA CC(C)(C)[C@@H]1CN(C(=O)C2CCC(/N=C(/O)C3CC3)CC2)CCO1 330095229 VCSIMNDVPBKGGO-GPANFISMSA-N 336.476 3.185 30 50 EGEA [O-][N+](O)=C1C=CC(=C2C(=S)Sc3c4ccccc4cc[n+]32)C=C1 328579953 YHSQVTJYYMWRIW-UHFFFAOYSA-N 339.421 3.238 30 50 EGEA O=[N+]([O-])c1ccc(C=Nn2c(S)nnc2-c2ccccc2)cc1 239212599 TTZIAKNUUKCNGO-UHFFFAOYSA-N 325.353 3.024 30 50 EGEA CNC(=O)c1ccc(CN2CCC(C#N)(c3ccccc3)CC2)cc1 299775746 IPGNLQISGRXWLZ-UHFFFAOYSA-N 333.435 3.104 30 50 EGEA N/C(=N\C(=O)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 13153287 IRSKWUPUVXQPMX-UHFFFAOYSA-N 340.814 3.109 30 50 EGEA CCN(CC)C(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C 350697 RPYHLXBFTGRHOT-UHFFFAOYSA-N 331.397 3.256 30 50 EGEA C=CCOc1ccc(C(=O)N[C@H](C)[C@@H]2COc3ccccc3O2)cc1 2090206 MSNMEVMJLUCFLP-KUHUBIRLSA-N 339.391 3.210 30 50 EGEA biogenic COc1ccc(OC)c(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)c1 71745339 XNGHUDSWYBHXCM-UHFFFAOYSA-N 349.394 3.227 30 50 EGEA C[C@](C#N)(/N=C(/O)CN1CCC[C@H]1c1nc2c([nH]1)CCCC2)C1CC1 328655393 YHUNLZATLMUQBA-QFBILLFUSA-N 341.459 3.074 30 50 EGEA CCc1nnc(Nc2ccc3c(c2)CCC(=O)N3C)c(C#N)c1CC 125321044 FSYVGRVCBNOAIP-UHFFFAOYSA-N 335.411 3.126 30 50 EGEA O=[N+]([O-])c1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1 5033443 LDXVKJDXFWSIAH-UYRXBGFRSA-N 344.802 3.404 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)N=N1 952876254 ISGUKTZKHYQXPW-AWEZNQCLSA-N 347.802 3.328 30 50 EGEA C#CCCC1(CCC(=O)N=C2C[C@@H](C)N(Cc3ccccc3)N2)N=N1 2325892410 MGLJTHAMWYZYHP-OAHLLOKOSA-N 337.427 3.066 30 50 EGEA C#CCCC1(CCC(=O)N2CCC(Nc3nc(C)cs3)CC2)N=N1 2325892747 ZVVUHUJECRPLOV-UHFFFAOYSA-N 345.472 3.210 30 50 EGEA CN1C(=O)N(C)[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O 974760 OESLMOPPNAGXHG-MRXNPFEDSA-N 343.383 3.276 30 50 EGEA O=c1c(/C=N/Nc2ccccc2)c(N2CCCCC2)nc2ccccn12 4738082 WXRKTPPTTXIEBE-RCCKNPSSSA-N 347.422 3.131 30 50 EGEA CCCCOc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1N 170003767 FXNUGYLGJFWYHO-UHFFFAOYSA-N 325.645 3.400 30 50 EGEA Cc1ccnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1C#N 253427200 XIUSAQDJHKDQTE-MRXNPFEDSA-N 345.349 3.441 30 50 EGEA CNC(=O)c1ccc([C@H]2CCCCN2Cc2cc(C#N)cs2)n1C 328648082 UKFYYFMCQZFHQL-MRXNPFEDSA-N 342.468 3.045 30 50 EGEA Cc1nc2c(s1)CCC[C@@H]2CN(C)/C(O)=N/[C@H](C)[C@H]1CCCO1 328639685 WZBOGTCVJHSHIU-MRVWCRGKSA-N 337.489 3.285 30 50 EGEA N#Cc1ccc(N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)cn1 280416158 JKLXAUVUQSOFOT-CZUORRHYSA-N 333.313 3.284 30 50 EGEA Cc1c([C@H]2CCCN2C(=O)c2cc(C#N)ccc2Cl)cnn1C 367711414 CJEPBMOLQOSSJO-MRXNPFEDSA-N 328.803 3.231 30 50 EGEA C=CCSc1nc(O)c2c(n1)NC(=O)C[C@H]2c1ccc(F)c(F)c1 820497024 XLTLROWOJIAMGW-VIFPVBQESA-N 349.362 3.213 30 50 EGEA N#Cc1cccc(C2(NC(=O)Cc3cnccc3C(F)(F)F)CC2)c1 408522246 GBBATQNKAOIHHN-UHFFFAOYSA-N 345.324 3.320 30 50 EGEA N#CCCN(CCC#N)C(=O)c1cccc(NC(=O)c2ccccc2)c1 2855007 XACOMXOOWYYMTD-UHFFFAOYSA-N 346.390 3.208 30 50 EGEA Cc1noc([C@@H](/N=C(/O)c2cccc3c2CCC3)C2CCOCC2)n1 328614414 VZFOTQJYHQSIMG-KRWDZBQOSA-N 341.411 3.339 30 50 EGEA N#Cc1ccc(CCC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 331593126 NBFWGXNMAWDZGL-GUDVDZBRSA-N 326.440 3.033 30 50 EGEA C[C@@H](c1ccc(C#N)cc1)N1CCO[C@@H](c2nc(C(C)(C)C)n[nH]2)C1 229300884 LJWDFRSMRBMWJE-XJKSGUPXSA-N 339.443 3.108 30 50 EGEA N#C[C@@H]1CN(C(=O)c2cc3nccnc3cc2F)C[C@H]1c1ccccc1 366498095 QUCCVEJOLVPQAK-ZBFHGGJFSA-N 346.365 3.148 30 50 EGEA C=CCOc1ccc(C(=O)N2CCC[C@@H](COC)CC2)cc1OC 457024307 DQUMDXMYXDJMLM-OAHLLOKOSA-N 333.428 3.149 30 50 EGEA N#Cc1cc(F)cc(C(=O)NCC2(N3CCCCC3)CCCC2)c1 670437997 DMQNVTWLTBABQW-UHFFFAOYSA-N 329.419 3.226 30 50 EGEA C#CCCC1(CCC(=O)N2C[C@@H](N3CCCC3)C[C@H]2C(C)C)N=N1 1875381871 KAJXECKGUUHKRK-IRXDYDNUSA-N 330.476 3.063 30 50 EGEA C=C(C)COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 9698551 ACQRKTPUKLZNPU-UHFFFAOYSA-N 325.364 3.300 30 50 EGEA C=C(C)COc1cccc(C(=O)N(C)Cc2[nH]nc3c2CCC3)c1 55343977 XBYDPFPGHYQSLA-UHFFFAOYSA-N 325.412 3.126 30 50 EGEA COc1ccc(CNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)cc1 170004856 NXCYEGCORIPPCF-UHFFFAOYSA-N 340.232 3.002 30 50 EGEA Cc1cccc2c(C(=O)N3CCC(C#N)CC3)cc(-c3cn[nH]c3)nc12 23581490 IUYKPZKWLNBFCW-UHFFFAOYSA-N 345.406 3.309 30 50 EGEA C=CC[C@@]1(CO)CCCN(C(=O)c2c[nH]nc2C2CCCCC2)C1 91873346 YWXJMVLOXZCMCW-LJQANCHMSA-N 331.460 3.248 30 50 EGEA C=CCn1nc(C)c(C(=O)NCC2(N3CCCCC3)CCCC2)c1C 670448921 NDCOJHZYQZULEG-UHFFFAOYSA-N 344.503 3.214 30 50 EGEA CCN1CC[C@@H](CN(CC)Cc2ccc(C#CC(C)(C)O)s2)C1 952868157 CDYOKCDPAFRCDY-MRXNPFEDSA-N 334.529 3.034 30 50 EGEA CN(Cc1ccc2ncccc2c1)C(=O)c1ccc(C#CC(C)(C)O)o1 1506417404 IGTSWDSIRDAELC-UHFFFAOYSA-N 348.402 3.222 30 50 EGEA C=CCOc1nc2ccc(C)cc2cc1CNCCCn1ccnc1 11789451 SFONVOOJUPLJMV-UHFFFAOYSA-N 336.439 3.484 30 50 EGEA CCn1c([C@H](C)NCC(=O)Nc2ccc(C#N)cc2)nc2ccccc21 119347764 KDBDICSHXHYSQH-AWEZNQCLSA-N 347.422 3.217 30 50 EGEA Cc1ccc(C(=O)N2CCC[C@](CO)(c3ccccc3)C2)cc1C#N 367315188 NUBDLMOCTXMVCN-NRFANRHFSA-N 334.419 3.033 30 50 EGEA C#CCCC1(CCC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C(C)C)N=N1 1875381869 KAJXECKGUUHKRK-DLBZAZTESA-N 330.476 3.063 30 50 EGEA CCOc1ccc(CC(N)=C2C(=O)CC(C)(C)CC2=O)cc1OCC 100147587 OPVKYXCCIQBLKR-UHFFFAOYSA-N 345.439 3.198 30 50 EGEA C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C)CC1 552481 JYZHJZZEVMMUBQ-UHFFFAOYSA-N 345.450 3.148 30 50 EGEA C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ccc(C#N)nc1 225599322 CYLUVDGLWQHHQE-HNNXBMFYSA-N 349.438 3.383 30 50 EGEA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1/C(O)=N/[C@@H]1CCC[C@H](C)CC1 329211428 ZEPFJHSHIOKYLW-OBVSXPTNSA-N 338.492 3.385 30 50 EGEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccncc1 20560945 UNBFDZJSHAWRKP-QGZVFWFLSA-N 326.396 3.003 30 50 EGEA C=CC[C@H](C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[nH]1)c1ccccc1 1456397435 MWXBISIWLDPGRL-JQWIXIFHSA-N 338.333 3.361 30 50 EGEA COc1cnc2ccccc2c1C(=O)Nc1ccc(C#N)c(C#N)c1 253393240 XBOPUBQDTROJHZ-UHFFFAOYSA-N 328.331 3.239 30 50 EGEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1(c2ccnc3ccccc23)CC1 867997907 MCWHQMJCCUIAJT-HNAYVOBHSA-N 336.435 3.364 30 50 EGEA C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCc2cc(O)ccc2[C@H]1C 1875274748 XVQWFYYMWIBRRE-KGLIPLIRSA-N 336.391 3.177 30 50 EGEA CN(C)c1cc(N/C(O)=N/[C@H]2CC(C)(C)Oc3ccccc32)ncn1 329443347 BWJLPHHMTUUXEQ-ZDUSSCGKSA-N 341.415 3.171 30 50 EGEA Cc1nc([C@@H]2CCCCCN2C(O)=Nc2cn(C)nc2C(C)C)no1 328587636 DPHFXCDQAWZOHT-AWEZNQCLSA-N 346.435 3.398 30 50 EGEA C(#Cc1ccccc1)CN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 286476933 YQPSHIQEBSSZJF-ZWKOTPCHSA-N 337.423 3.500 30 50 EGEA CC(C)N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N 17822016 CKCGFSBUZKUABH-UHFFFAOYSA-N 333.844 3.384 30 50 EGEA CC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OCc1ccccc1 6022667 DYHQKARICUSVLA-IBGZPJMESA-N 336.391 3.483 30 50 EGEA CCn1cc(CN2CCC[C@@H](C(=O)Cc3ccccc3)C2)cc1C#N 72424569 MGGVARJQTPZNEN-LJQANCHMSA-N 335.451 3.403 30 50 EGEA OC(=Nc1c[nH]nc1-c1ccccc1F)[C@@H]1CCc2c[nH]nc2C1 328586449 XPGRFWGCIINRLF-SNVBAGLBSA-N 325.347 3.332 30 50 EGEA Cc1nccn1-c1ccc(CNc2c(F)cc(C#N)cc2F)cn1 301130358 XNWFTYFIXOOOMZ-UHFFFAOYSA-N 325.322 3.338 30 50 EGEA CCCOc1ccc(/C=N/n2c(S)nnc2-c2cccnc2)cc1 5738398 NLPGBMAUXHCSJX-YBFXNURJSA-N 339.424 3.300 30 50 EGEA N#CCc1ccc(CN2CCOC[C@@H]2CC(=O)c2cccs2)cc1 225452807 ICHIIUNRQLUZDR-KRWDZBQOSA-N 340.448 3.288 30 50 EGEA Cc1ccc(N/C(N)=N\c2nc(-c3ccccc3)cc(=O)[nH]2)cc1C 20477870 YYXAVQFEXBWHOU-UHFFFAOYSA-N 333.395 3.112 30 50 EGEA Cc1nc(-c2cc(-c3ccc(-n4ccnc4)cc3)nc(N)c2C#N)c[nH]1 67833727 WWOYCLCQNMGLLS-UHFFFAOYSA-N 341.378 3.087 30 50 EGEA N#Cc1ccc(N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)cn1 280416152 JKLXAUVUQSOFOT-BBRMVZONSA-N 333.313 3.284 30 50 EGEA N#Cc1cccc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)c1 426727497 NSLXWBSHHYUIBU-FQEVSTJZSA-N 345.446 3.197 30 50 EGEA COc1cc(O)c(C(=O)/C=C/c2ccc(N(C)C)cc2)c(OC)c1 4245985 AJBXYCXQFLOEKN-JXMROGBWSA-N 327.380 3.372 30 50 EGEA S[C@@H](COCc1ccccc1)CN1CCN(c2ccccc2)CC1 55464353 QJXSVJCMRJTVAZ-HXUWFJFHSA-N 342.508 3.324 30 50 EGEA Cc1ccc(CN(CCN(C)C)Cc2cc(C#CCO)cs2)s1 55568718 MZKRHNAHHRZQPT-UHFFFAOYSA-N 348.537 3.026 30 50 EGEA Cc1nscc1/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328628103 NHKAUSVJVTWXID-VIFPVBQESA-N 344.362 3.234 30 50 EGEA CCCn1ncc(-c2cc(-c3ccc(O)c(O)c3)c(C#N)c(N)n2)c1C 71765586 FTAUQBHKDVQZKB-UHFFFAOYSA-N 349.394 3.196 30 50 EGEA N#Cc1ccccc1C(=O)N1CCC(c2nccn2CC2CC2)CC1 82083160 FQFVFEVIJHLSFZ-UHFFFAOYSA-N 334.423 3.185 30 50 EGEA CCN(C(=O)CNC(=O)CC1CCCC1)[C@H](C)c1ccc(C#N)cc1 160959959 UNWFCJPAGDJZEG-OAHLLOKOSA-N 341.455 3.164 30 50 EGEA O=S(=O)(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccccc1 451364 GYSLQVDXCNSXJS-CXUHLZMHSA-N 329.208 3.306 30 50 EGEA COc1ccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)cc1 5910696 GCECKELRCHZVGS-VCHYOVAHSA-N 328.372 3.264 30 50 EGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl 3191399 KNTWGJYREMHVJQ-AWEZNQCLSA-N 347.798 3.194 30 50 EGEA CCN(Cc1ccccn1)/C(O)=N/[C@@H]1CCc2cnn(C(C)C)c2C1 328588283 AVDSRNLCEZVDTE-MRXNPFEDSA-N 341.459 3.152 30 50 EGEA N#Cc1ccnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)c1 283769370 OMZXFRQDVCIPLG-OAHLLOKOSA-N 344.212 3.294 30 50 EGEA CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H](CC#N)c2ccccc2)c1 408513989 LASZHRMMXXNXSY-BEFAXECRSA-N 336.391 3.428 30 50 EGEA COc1cc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)ccc1O 16677854 WONLIVGPSZKNTM-MOSHPQCFSA-N 345.830 3.210 30 50 EGEA Cc1cnn(C/C(O)=N/[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1 328861957 FKEMOSBAOKRGQS-NVXWUHKLSA-N 332.835 3.247 30 50 EGEA Cn1ncc(NC(=O)c2ccc(N3CCCC3)c(C#N)c2)c1C1CC1 1875261884 VWXIONACVADPHH-UHFFFAOYSA-N 335.411 3.022 30 50 EGEA C#CCCC1(CCC(=O)N(Cc2ccccc2)C[C@H](C)C(=O)O)N=N1 2325900787 JDOUCZRUJOOVPV-HNNXBMFYSA-N 341.411 3.092 30 50 EGEA N#Cc1ccccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 74828 UIHFIQMJUUDTQP-UHFFFAOYSA-N 326.299 3.378 30 50 EGEA C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 4083986 AMQJCGDKERGSAU-CYBMUJFWSA-N 341.194 3.351 30 50 EGEA C=CCOc1ccc(Cl)cc1[C@@H]1CC(=O)NCc2nc(N)sc21 65488472 KOCUPPAYUSGRKP-NSHDSACASA-N 349.843 3.095 30 50 EGEA Cc1cc(C)n(C(=O)/C(C#N)=N/Nc2cc(Cl)cc(Cl)c2)n1 1406384 FKLPICSKIBQBSQ-CPNJWEJPSA-N 336.182 3.439 30 50 EGEA COC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 68576150 DSKGYKJXZRFRDP-GSVOUGTGSA-N 344.076 3.195 30 50 EGEA in-vitro N#Cc1ccc(Br)c(CNc2ccccc2C(N)=O)c1 191694303 UZIHYIUQSBUKKL-UHFFFAOYSA-N 330.185 3.032 30 50 EGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OC)c1 19536078 BMIDJDXRDZJFRM-GOSISDBHSA-N 341.407 3.226 30 50 EGEA COc1cc(C#N)ccc1OC[C@H]1CCCN(c2nc(C)ns2)C1 2100534638 RDKNPDFQAXXRBJ-AWEZNQCLSA-N 344.440 3.022 30 50 EGEA COC(=O)c1ccc(NC=C2C(=O)CC(c3ccccc3)CC2=O)cc1 177132 VHIXGYYQSMLTDJ-UHFFFAOYSA-N 349.386 3.485 30 50 EGEA O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ncc(Cl)cc2Cl)c1 33845979 LKVJEDOPYILLRI-FZSIALSZSA-N 327.127 3.448 30 50 EGEA Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc(F)c(C#N)c2)n1 367736109 CCHYUMJTNLQQAE-MRXNPFEDSA-N 338.386 3.118 30 50 EGEA CCOC(=O)N1CCN(Cc2ccc(-c3ccccc3C#N)o2)CC1 223279731 NAANZYGKSHQHRG-UHFFFAOYSA-N 339.395 3.092 30 50 EGEA Cc1ccnc(N2CCC(n3cc(Br)cn3)CC2)c1C#N 253426456 IHXQWXXWLZIVQJ-UHFFFAOYSA-N 346.232 3.062 30 50 EGEA COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccccc2)cc1 443826 XWDOYZWMJIHMKC-GOSISDBHSA-N 337.375 3.180 30 50 EGEA CSCCc1[nH]c(SCC(=O)Nc2ccccc2C#N)nc1C 6607243 MUFWMFPCRMKBST-UHFFFAOYSA-N 346.481 3.226 30 50 EGEA COc1ccc([C@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]2N(C)C)cc1 1565508280 GTDIODJRQLOASB-RTWAWAEBSA-N 335.451 3.096 30 50 EGEA Cc1onc(CC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c1C#N 408513909 USCKYJCFLPMJQL-LJQANCHMSA-N 335.407 3.466 30 50 EGEA Cc1nn(C)cc1/C=N/c1sccc1C(=O)NCc1ccco1 6527226 VESRTQDXHVSIQQ-QGMBQPNBSA-N 328.397 3.064 30 50 EGEA CCCN1C(=O)CCc2cc(NC(=O)N[C@H](CC)CC#N)ccc21 158655049 FGABCMUQOHBBMS-CQSZACIVSA-N 328.416 3.190 30 50 EGEA COc1cc(/C=N/N=C2C(=O)Nc3ccccc32)ccc1OC(C)C 334160703 KMYBFUJFIRLICR-RGVLZGJSSA-N 337.379 3.258 30 50 EGEA C#CCCC1(CCNC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)N=N1 1875381441 VDSOJXABCYAJIH-ZDUSSCGKSA-N 340.210 3.109 30 50 EGEA COc1ccc(N/C=C\C(=O)c2ccc3c(c2)OCO3)cc1OC 100467160 JSQHBZDOTOUVSJ-FPLPWBNLSA-N 327.336 3.241 30 50 EGEA N#Cc1c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)sc2c1CCCC2 100729708 ODVXWYOVAPRVBO-GREKMHCPSA-N 338.432 3.200 30 50 EGEA CN(C)/C=C(/C(=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 12861103 NAAYNOPKRYBNSN-VBKFSLOCSA-N 349.839 3.400 30 50 EGEA CC1CCN(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 230549068 ZOJWEHSRHWFKGV-UHFFFAOYSA-N 344.264 3.250 30 50 EGEA COc1cc(/C=N/n2c(C)nnc2C)ccc1OCc1ccccc1 228386 NTVAEUSNLIFXPI-UDWIEESQSA-N 336.395 3.365 30 50 EGEA CCn1nncc1/C(O)=N/[C@H]1COc2c1ccc(Cl)c2Cl 328878223 KYJMRUXHBOIPLR-VIFPVBQESA-N 327.171 3.043 30 50 EGEA C=CCn1c(SCC(N)=O)nnc1-c1ccc(Cl)c(Cl)c1 6727042 HKMZEUXHVZKDRC-UHFFFAOYSA-N 343.239 3.015 30 50 EGEA C=C(C)COc1c(CN[C@@H](C)c2ncnn2CC)cccc1OC 55109084 BEPCHNFSIWZVQK-AWEZNQCLSA-N 330.432 3.112 30 50 EGEA CC[C@@H]1C[C@H](CC(=O)N[C@]2(C#N)CCc3ccccc3C2)CCO1 274443943 FRECXDWADVTFLT-XFQXTVEOSA-N 326.440 3.149 30 50 EGEA Cc1ccc(NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 169969251 XKTAPHBEFGWOMA-UHFFFAOYSA-N 334.225 3.036 30 50 EGEA Cc1c(Cl)cnc(NC[C@@H]2CCCO[C@H]2c2nccn2C)c1C#N 858008122 JVCQOWPLSMMWKZ-SWLSCSKDSA-N 345.834 3.228 30 50 EGEA CCc1ccc(S(=O)(=O)Nc2cnc(Cl)cc2C#N)s1 225530304 QHUUUQCKGDESNV-UHFFFAOYSA-N 327.818 3.031 30 50 EGEA C=CCOc1c(Cl)cc(C(=O)NCCc2c[nH]cn2)cc1Cl 55042384 GEFZGYXVTFODLL-UHFFFAOYSA-N 340.210 3.254 30 50 EGEA O=C(ON=C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 4053259 CQIDFIGQOYTEDL-UHFFFAOYSA-N 339.351 3.408 30 50 EGEA COCCN(Cc1ccccn1)C(=O)Nc1scc(C)c1C#N 328595892 JIGCFVLXPLNTCN-UHFFFAOYSA-N 330.413 3.004 30 50 EGEA CCC(C)(C)c1cc(-c2ccccc2OCCO)c(C#N)c(N)n1 71763396 LQNWYMVIXDYMFF-UHFFFAOYSA-N 325.412 3.261 30 50 EGEA COCCN1C[C@H](Cc2ccc(C3(C#N)CCCC3)cc2)CC1=O 219810359 HMGUSQUBDFNTMO-QGZVFWFLSA-N 326.440 3.059 30 50 EGEA N#CC1(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCC1 276403501 LARMPXBQYOHJTC-GFCCVEGCSA-N 338.238 3.382 30 50 EGEA Cc1cc(C)n(-c2ccc(C(=O)N(CC#N)Cc3ccccc3)cn2)n1 170638778 WSGRELJIJJTTFP-UHFFFAOYSA-N 345.406 3.050 30 50 EGEA N#Cc1c(CNc2ccccc2CN2CCOCC2)cn2ccccc12 193431162 GGTDSPHRGIYGQS-UHFFFAOYSA-N 346.434 3.255 30 50 EGEA C=CCN(Cc1ccco1)C(=O)c1cnn(-c2ccccc2OC)c1 55071816 IQMFCKYJKXMOLF-UHFFFAOYSA-N 337.379 3.302 30 50 EGEA Cc1ccc(S(=O)(=O)ON=c2ccc3ccccc3cc2)cc1 45070757 HDLAFXBPPVQBNZ-UHFFFAOYSA-N 325.389 3.369 30 50 EGEA C=CCn1ncc(CN2CCC[C@@H](c3cccc(C(=O)O)c3)C2)c1C 95353416 IIQXSYHPZHZVHK-GOSISDBHSA-N 339.439 3.455 30 50 EGEA CN1CCCC[C@@H]1CCC(=O)N1CCC(C#N)(c2ccccc2)CC1 95357861 JUOYGULCILMIDZ-LJQANCHMSA-N 339.483 3.335 30 50 EGEA O=C1Nc2ccccc2[C@@H]1N/N=C/c1cc(Cl)cc(Cl)c1O 96429975 UBXRDFCZBUFPDB-VXSOZLBZSA-N 336.178 3.316 30 50 EGEA CC(C)c1ccc(/C=N/O[C@H]2CCCN(c3cnn(C)c3)C2=O)cc1 170642569 XKJOJJVIAFKTDQ-NIQDBXHUSA-N 340.427 3.090 30 50 EGEA Cc1nn(C)cc1/C=N/Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 6184721 AIXPRJWTKFTOFM-UBKPWBPPSA-N 327.266 3.102 30 50 EGEA O/C(=N/Cc1cccc(-c2ccccn2)c1)N[C@@H]1CCO[C@H]1C1CC1 330031610 BDCGBJUDEYRIGN-MOPGFXCFSA-N 337.423 3.320 30 50 EGEA COc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccc(Cl)cc2)cc1 6493626 FPKFDSMSUOTFNG-HNNXBMFYSA-N 343.766 3.215 30 50 EGEA COc1ccc(C(=O)N2C[C@@]3(C)[C@H]4CC[C@@]3(C)[C@@]2(C#N)C4)cc1OC 100920513 LPPVWMDNFLZLBE-GAZPGATBSA-N 340.423 3.248 30 50 EGEA Cn1nccc1/C=C/C(=O)N(CCC#N)C12CC3CC(CC(C3)C1)C2 133805560 ONMZWKZGDQLOJO-ONEGZZNKSA-N 338.455 3.144 30 50 EGEA Cc1ccccc1N1CCN(Cc2ccc(C#CCO)s2)[C@@H](C)C1 106244272 KYNVWCLWWCWLKD-KRWDZBQOSA-N 340.492 3.111 30 50 EGEA Cc1cc(C)n([C@@H]2CCN(Cc3ccc(C#CC(C)(C)O)cc3)C2)n1 65533174 HHUWHMSSPJZZTD-HXUWFJFHSA-N 337.467 3.069 30 50 EGEA COc1ccc(/C=N/O)cc1Cn1nc(C)c(Br)c1C 369444 CTUJQJSTSYQBML-FRKPEAEDSA-N 338.205 3.127 30 50 EGEA COc1cccc(N2CCC[C@H](/N=C(/O)CCc3cnccn3)C2)c1 328588276 AURDZELJDGFCCH-INIZCTEOSA-N 340.427 3.043 30 50 EGEA C=CCN1C(=O)[C@](O)(CC(=O)c2cccs2)c2cc(Cl)ccc21 5267439 AEYAJPNMBIANAJ-KRWDZBQOSA-N 347.823 3.395 30 50 EGEA Cc1ccc(-c2cc[n+](CC(=O)c3cccc([N+](=O)[O-])c3)cn2)cc1 5683896 YQBZOJXOVSHZDF-UHFFFAOYSA-N 334.355 3.136 30 50 EGEA C=CCn1c(N2C(=O)C[C@@H](Cc3ccccc3)C2=O)nc2ccccc21 529361 RHYPBGIAQHMDKS-MRXNPFEDSA-N 345.402 3.345 30 50 EGEA Cc1c(NC(=O)Nc2cccc(C#N)c2)c(=O)n(-c2ccccc2)n1C 612658 PCAWWLNENVYGGC-UHFFFAOYSA-N 347.378 3.000 30 50 EGEA CCn1cc(-c2cc(-c3cc(OC)ccc3OC)nc(N)c2C#N)cn1 67771736 ZHWUEKBICMCLBC-UHFFFAOYSA-N 349.394 3.103 30 50 EGEA COc1cc(N=C(O)N2CCOC[C@H]2c2ccccc2)ccc1F 328588443 PJZGTEOBDZZFBS-INIZCTEOSA-N 330.359 3.453 30 50 EGEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ncc(C#N)cc1Cl 328640186 XGXLBFGLNAGBHK-RDJZCZTQSA-N 341.846 3.131 30 50 EGEA COc1cccc([C@H]2C[C@@H](O)CN2Cc2ccc(C#N)c(F)c2)c1 337399332 KDINWFAZCIEAOM-VQIMIIECSA-N 326.371 3.014 30 50 EGEA Cc1ccc(N/C(N)=N/c2nc(C)cc(N3CCCCC3)n2)c(C)c1 13522694 FTUASJMDPFCADW-UHFFFAOYSA-N 338.459 3.450 30 50 EGEA C=CCN(C)Cc1cccc(OC[C@@H](O)CN(C)C2CCCCC2)c1 95520042 USLGSIDOVTVDGE-FQEVSTJZSA-N 346.515 3.309 30 50 EGEA CCOC(=O)C1=C(C)NC(=S)[C@@H](C#N)[C@H]1c1ccc(Cl)cc1 13285275 IWYVZHGOUDGWAV-GXTWGEPZSA-N 334.828 3.331 30 50 EGEA CCCCNCc1cc(Br)c(OCC#N)c(OC)c1 15356887 FDDVDTCCOIAEDK-UHFFFAOYSA-N 327.222 3.250 30 50 EGEA Cc1nc([C@H]2CCCCCN2C(O)=Nc2cn(C)nc2C(C)C)no1 328587637 DPHFXCDQAWZOHT-CQSZACIVSA-N 346.435 3.398 30 50 EGEA O=C(O)c1ccc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)cc1 1267752 YJCLSGSVEMUCPZ-GIJQJNRQSA-N 342.355 3.327 30 50 EGEA N#Cc1ccc(C(=O)C[n+]2ccc(-c3cccc(Cl)c3)nc2)cc1 5892293 IURPMNPOCAGGJH-UHFFFAOYSA-N 334.786 3.444 30 50 EGEA CC(C)(C)OC(=O)N1[C@@H](CB2OC(C)(C)C(C)(C)O2)COC1(C)C 1772717048 QGVDMAIPXOFMJG-LBPRGKRZSA-N 341.257 3.451 30 50 EGEA C#CCCC1(CCC(=O)NC2(C(=O)O)CC3(CCCCC3)C2)N=N1 2325901074 SQFCKTRRFSWQLH-UHFFFAOYSA-N 331.416 3.026 30 50 EGEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cnc(N)nc1C 55225990 KEJWAHCZGMSVLR-AEFFLSMTSA-N 334.423 3.455 30 50 EGEA CC(=O)CCCC(=O)N1CC[C@H](C)C[C@@H]1C/N=C(/O)OC(C)(C)C 328593319 QHEIAKHFZKQIOV-DZGCQCFKSA-N 340.464 3.102 30 50 EGEA C/C(O)=N/[C@H](c1nc(COc2ccc(F)cc2)no1)C1CCOCC1 328633976 SYYNSNIACRADSB-INIZCTEOSA-N 349.362 3.232 30 50 EGEA CSc1cc(C(=O)[C@H](C#N)C(=O)NC2CCCCC2)ccc1F 155561559 RPANYFDFZQODOS-ZDUSSCGKSA-N 334.416 3.319 30 50 EGEA CCOc1ccc(-c2cc(-c3c(C)nn(C)c3C)nc(N)c2C#N)cn1 71747938 DWWINROONZLDMY-UHFFFAOYSA-N 348.410 3.014 30 50 EGEA CCc1c(C)sc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)c1C#N 239347363 MUAPAZVQVRZWTE-UOVKNHIHSA-N 344.436 3.342 30 50 EGEA CCOc1cc(/C=N/O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 451591 ZMMREZIOCXQVEO-LICLKQGHSA-N 330.296 3.021 30 50 EGEA COc1cccc([C@H]2NC(=S)NC(c3ccccc3)=C2C(C)=O)c1 484403 RZJSYJZQEQNCLV-GOSISDBHSA-N 338.432 3.214 30 50 EGEA COc1ccc(/C(N)=N/OC(=O)c2cc(Cl)ccc2Cl)cc1 4985914 XMZRSBJVVIJDKW-UHFFFAOYSA-N 339.178 3.479 30 50 EGEA N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)o1 367752280 HLHDDOMOMWMBOY-CRAIPNDOSA-N 342.420 3.241 30 50 EGEA N#Cc1ccccc1N1CCCN(CCCO[C@@H]2CCCCO2)CC1 373410047 YDUAQRWZQBPPJQ-HXUWFJFHSA-N 343.471 3.004 30 50 EGEA N#C[C@H]1CCCC[C@@H]1OC(=O)CN1C(=O)CCCc2sccc21 170623084 GFIMCSGNRQCPCM-OCCSQVGLSA-N 332.425 3.043 30 50 EGEA O=C(/C=C/c1ccc(I)o1)c1cccnc1 5263438 KTGMOOGKHWHAQC-HWKANZROSA-N 325.105 3.175 30 50 EGEA CCOc1ccc(-c2nc(C#N)c(N3C[C@@H](C)O[C@H](C)C3)o2)cc1 467639 MRKYPOSHYHJRRX-CHWSQXEVSA-N 327.384 3.226 30 50 EGEA COc1cc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)ccc1C#N 343371761 QODBCKUEWGWCQC-MAUKXSAKSA-N 344.361 3.153 30 50 EGEA CC(C)(c1ccccc1)C1(/N=C(/O)Cn2cc([N+](=O)[O-])cn2)CC1 328597055 CYHISJWDQLJNDF-UHFFFAOYSA-N 328.372 3.258 30 50 EGEA N#Cc1cccc(-c2cn(CCCn3ncc4ccccc43)nn2)c1 91817921 VEVDYUFSWUKLKH-UHFFFAOYSA-N 328.379 3.257 30 50 EGEA CC1(C)OB(c2ccc(C#N)c(OCc3ccccc3)c2)OC1(C)C 169808866 YDEUNLVOYPZMFK-UHFFFAOYSA-N 335.212 3.436 30 50 EGEA in-vitro N#Cc1c[nH]c(C(=O)Nc2cc(Br)c(F)cc2F)c1 190244534 QCJUUEIOCFMPQT-UHFFFAOYSA-N 326.100 3.179 30 50 EGEA CC(C)c1ccc(OC/C(O)=N/c2ncn[nH]2)c(Br)c1 382534 IYWWNVRQYKVMFG-UHFFFAOYSA-N 339.193 3.358 30 50 EGEA C[C@@]12CC[C@@H]3C[C@]1(C#N)N(NC(=O)c1ccc(Cl)cc1)C[C@]32C 239306021 GICLVULQWFFDEX-NKGKWGDASA-N 329.831 3.389 30 50 EGEA COc1ccc(/C=N/N=C/c2ccc(OC)cc2OC)c(OC)c1 3075602 VXGDBTSCPMXTBL-AYKLPDECSA-N 328.368 3.174 30 50 EGEA C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)[C@@H](C)CC(=O)O 390834863 JLKVYKGJSWVYPZ-GLLKNPCHSA-N 338.320 3.038 30 50 EGEA C[C@@H]1CCC[C@@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 252671960 OSYBMRCHZIRSOK-BZUAXINKSA-N 349.475 3.174 30 50 EGEA C[C@H]1SCc2c1nc(N)c(C#N)c2-c1ccc(O)c(CN(C)C)c1 71404227 UCGHDLFAUDCSJC-SNVBAGLBSA-N 340.452 3.277 30 50 EGEA Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)c1cc(C(C)C)nn1C 82109291 YTAODYLLMQMTBX-UHFFFAOYSA-N 349.438 3.177 30 50 EGEA COC(=O)CSc1nc(N2CCCCC2)c2c(c1C#N)CCCC2 19799420 GKNOEJHEOCUKOQ-UHFFFAOYSA-N 345.468 3.087 30 50 EGEA CC1(C)OB(c2cnc(Cl)nc2OCc2ccccc2)OC1(C)C 169745959 YXXPVSCUVOPQBT-UHFFFAOYSA-N 346.623 3.008 30 50 EGEA Cn1nccc1[C@@H]1CCCCN1/C(O)=N/[C@H]1CCCC12CCOCC2 328734788 YRJXKROTUJALIM-IRXDYDNUSA-N 346.475 3.210 30 50 EGEA CN(C)C/C=C/C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1875375428 CSFVFTMDGPKIAP-QPJJXVBHSA-N 325.437 3.021 30 50 EGEA Cc1nc(-c2ccc(C(=O)N3CC(C#N)C3)cc2)c2sccc2n1 2356138005 DWOAYDVGUZFXLI-UHFFFAOYSA-N 334.404 3.262 30 50 EGEA Cc1sc(NC(=O)c2cc(C(F)(F)F)nn2C)c(C#N)c1C 2758666 KUONPQGTXJBIAG-UHFFFAOYSA-N 328.319 3.241 30 50 EGEA C=CCN(C)Cc1ccc(C(=O)Nc2nn(C)c3ccccc23)cc1 65407327 FHQQKJXFIKEDIY-UHFFFAOYSA-N 334.423 3.443 30 50 EGEA C[C@@H](C(O)=Nc1cc2c(cc1O)n(C)c(=O)n2C)c1cccc(F)c1 328594183 XGPQAUPMWFCQAV-SNVBAGLBSA-N 343.358 3.113 30 50 EGEA Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)c1cnn2c1CCCC2 125579518 OJZCCZHJMWBLIZ-AWEZNQCLSA-N 346.390 3.215 30 50 EGEA N#Cc1ccc(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1F 377529438 CPCDQMQPFWHQTD-FQEVSTJZSA-N 342.389 3.264 30 50 EGEA CS[C@H](C)Cc1c(C#N)c(N)nc2c1CN(C1CCCC1)CC2 72165627 OQYNAGYGZCPHEF-GFCCVEGCSA-N 330.501 3.130 30 50 EGEA CC(C)(C)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 606241572 AEPMFJSDCDDVTE-UHFFFAOYSA-N 337.656 3.168 30 50 EGEA CC(C)c1ccc(C#N)c(-c2ccc(C(=O)N3CCOCC3)cc2)n1 534588879 BDTWWKNNJUWCKM-UHFFFAOYSA-N 335.407 3.216 30 50 EGEA COc1cc(OC)c(OC)cc1/C=C1\N=C(SC)SC1=O 458083 WVRNZSZAXPTYPS-UITAMQMPSA-N 325.411 3.046 30 50 EGEA CCCOc1ccc(/C=N/n2c(S)nnc2-c2ccccn2)cc1 5892797 LBATXJYZNSGIKH-XDHOZWIPSA-N 339.424 3.300 30 50 EGEA C[C@H](CC#N)N(C)C[C@@](O)(c1ccc(Br)cc1)C(F)F 1875275589 AASAUFAKXYZZJK-QMTHXVAHSA-N 347.203 3.136 30 50 EGEA COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(C#N)cc3)no2)c1 3908357 ZWFIQZMWIGTPLJ-UHFFFAOYSA-N 349.346 3.483 30 50 EGEA C=C(C)COc1ccccc1C(=O)N(C)CCc1noc(C(C)C)n1 55401184 SPAOMMAHWXPJNF-UHFFFAOYSA-N 343.427 3.463 30 50 EGEA C=CCN(Cc1ccco1)C(=O)[C@H]1COc2c(cccc2OC)C1 65420770 MJPQMORKPPFRTP-OAHLLOKOSA-N 327.380 3.054 30 50 EGEA C#CCN(CCC(=O)OCC(Cl)(Cl)Cl)Cc1ccccc1 25663438 YGQZJWKINXGGBK-UHFFFAOYSA-N 348.657 3.425 30 50 EGEA COc1ccccc1NC(=S)Nc1cc(OC)c(OC)cc1C#N 1394205 ZNXGSODWLRSTAP-UHFFFAOYSA-N 343.408 3.393 30 50 EGEA Cc1[nH]c2ccccc2c1/C=N/c1sccc1C(=O)NC(N)=O 6527021 NJFAXLOATDBMPE-QGMBQPNBSA-N 326.381 3.097 30 50 EGEA C#CCNC(=O)c1ccccc1NCc1coc(-c2ccccc2)n1 159467415 XECNDBCAXLVQOR-UHFFFAOYSA-N 331.375 3.317 30 50 EGEA C=CCOc1ccc(-c2nnc(SCc3n[nH]c(CC)n3)o2)cc1 131078443 IFCJHZSIZYHFCP-UHFFFAOYSA-N 343.412 3.274 30 50 EGEA CCOc1cccc(NC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@@H]4O[C@@H]4[C@@H]23)c1 254300350 TTWBJLXTVXWETO-IKJNXIIRSA-N 329.396 3.446 30 50 EGEA Cn1cc(C#N)cc1C(=O)N1CCCCC[C@H]1[C@H]1CCCCC1=O 164561578 RVGRMMCZTMJXCK-CVEARBPZSA-N 327.428 3.041 30 50 EGEA C=CCN(C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1)C1CC1 271349904 DCPSOKHCTFUDLO-UHFFFAOYSA-N 349.425 3.289 30 50 EGEA N#CC1(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCC1 276403502 LARMPXBQYOHJTC-LBPRGKRZSA-N 338.238 3.382 30 50 EGEA N#Cc1ccc(Nc2ccc(OCCCC(=O)O)cc2)c([N+](=O)[O-])c1 739121493 SMJNGEDUPSATLI-UHFFFAOYSA-N 341.323 3.454 30 50 EGEA Cn1c([C@H](C#N)C(=O)c2n[nH]c3c2CCCCC3)nc2ccccc21 190776292 KVIGFVOARPIAKJ-CYBMUJFWSA-N 333.395 3.055 30 50 EGEA N#Cc1cc(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)ccn1 193622274 SGWHTPRSFODJPG-UHFFFAOYSA-N 337.276 3.297 30 50 EGEA Oc1ccc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)c(O)c1 1271963 HBEYPPDZJBKKSB-CAOOACKPSA-N 330.344 3.040 30 50 EGEA O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1/C=N/O 5738719 OFABHCUVDOROEK-RGVLZGJSSA-N 331.331 3.454 30 50 EGEA Cc1nnc(-c2ccccc2C(=O)OCc2cc(C#N)ccc2F)o1 225565710 OVKAZZGJPZQLBK-UHFFFAOYSA-N 337.310 3.413 30 50 EGEA Nc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 4008114 LBRAFDBKAUADGR-UHFFFAOYSA-N 347.418 3.457 30 50 EGEA COCCOc1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 310512159 OXLAKSGJOBBYIL-UHFFFAOYSA-N 328.217 3.164 30 50 EGEA N#Cc1ccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)F)c(F)c1 344337041 CDOIUFHMJGIDFC-IRXDYDNUSA-N 334.341 3.024 30 50 EGEA N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 348968619 SVEFQBQMLAJMMN-FQEVSTJZSA-N 344.418 3.191 30 50 EGEA Cc1nc([Si](C)(C)C(C)(C)C)sc1B1OC(C)(C)C(C)(C)O1 575442735 PXMLKWPBKYEOFR-UHFFFAOYSA-N 339.386 3.466 30 50 EGEA C=CCSc1nc(N)c(C(=O)Nc2cccc(F)c2)cc1C#N 20388233 KCEMEDOTMHWCJF-UHFFFAOYSA-N 328.372 3.205 30 50 EGEA N#CC1(C#N)[C@@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@H](c1ccccc1)O3 239248140 YDHPTFXGAJFNQY-ILRDRHFLSA-N 332.363 3.195 30 50 EGEA N#Cc1nc(N2CC[C@H](n3cnc4c3CCCC4)C2)ccc1Cl 299739339 NKUYMQPFTFIHKI-LBPRGKRZSA-N 327.819 3.133 30 50 EGEA CC(=O)Nc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 2155823 RJFMPSNQAHVWNZ-FYJGNVAPSA-N 348.406 3.193 30 50 EGEA CCCCCCCN1CCN(C[C@H]2CCC(=O)N(C(C)C)C2)CC1 1775981793 IJBHRUJCOLNTHK-LJQANCHMSA-N 337.552 3.221 30 50 EGEA C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 12380913 BNWJEHCBABPUGY-CYBMUJFWSA-N 342.370 3.148 30 50 EGEA CC(=O)NCc1ccc([C@@H]2CCCN2Cc2ccc(C#N)cc2F)o1 375139962 HIFAAPOZIYZHDV-SFHVURJKSA-N 341.386 3.264 30 50 EGEA N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H](CNc2ccccn2)C1 115516605 ZYKIXCFNHDCEKZ-GFCCVEGCSA-N 347.344 3.305 30 50 EGEA C=CCC[C@H](CN(C)Cc1cccnc1)Oc1cccc(OC)n1 67742380 YLEILFJQYJXLKB-QGZVFWFLSA-N 327.428 3.331 30 50 EGEA Cc1nc(SCC(=O)NCc2ccco2)c(C#N)c(C)c1Cl 1428519 QYSYYRHIZHWVRJ-UHFFFAOYSA-N 335.816 3.225 30 50 EGEA CCc1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)oc1CC 128872303 NTEIQYPXHTWMNV-ZDUSSCGKSA-N 326.400 3.212 30 50 EGEA CCO[C@@H]1C[C@@H](Nc2nc(C)c(C#N)cc2Cl)C12CCOCC2 290876064 AAONXFHQCFJHDO-HUUCEWRRSA-N 335.835 3.301 30 50 EGEA C=CCNC(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 12430982 PSWRVNWHUGDLDE-INIZCTEOSA-N 330.428 3.264 30 50 EGEA CCOC(=O)/C(=N\Nc1ccc(SC(F)(F)F)cc1)C(C)=O 16134120 XJDQHFBOMYBVAU-WQRHYEAKSA-N 334.319 3.219 30 50 EGEA N#CCCn1cc(C(=O)Nc2nccs2)c(-c2cccs2)n1 3410491 KWINBCRVDRRSNS-UHFFFAOYSA-N 329.410 3.234 30 50 EGEA C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2[C@@H](O)C[C@@H]1C3 197452689 NSFLYGNWNATSHL-UKFLMKJWSA-N 332.440 3.190 30 50 EGEA biogenic C=C(C)[C@H]1CC=C(COC(=O)c2ccc(CS(C)(=O)=O)o2)CC1 170649730 CEYZPVIXAIWWDG-AWEZNQCLSA-N 338.425 3.284 30 50 EGEA N#Cc1c(NC(=O)CCn2ccnn2)sc2c1-c1ccccc1CC2 240902827 IVPDOGWJKZPAOA-UHFFFAOYSA-N 349.419 3.006 30 50 EGEA C#CCCC1(CCC(=O)N2CCO[C@H](c3ccc(F)c(C)c3)C2)N=N1 952882081 RMNRTVJVHDFIIS-KRWDZBQOSA-N 343.402 3.390 30 50 EGEA CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1F 52270 ZJYGFKZXBKEAHE-QGZVFWFLSA-N 325.339 3.310 30 50 EGEA CN(C)CCNc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2 85702 BPAIWACZMOLEQM-UHFFFAOYSA-N 333.439 3.211 30 50 EGEA Cc1ccc(CN2CCN(/N=C/c3ccc(N(C)C)cc3)CC2)cc1 20189243 YXAMMGSXGMHYQR-CJLVFECKSA-N 336.483 3.213 30 50 EGEA CNC(=O)[C@H](C#N)C(=O)c1ccc(Sc2ccc(Cl)cc2)o1 170599418 MYBBWQWQUDZXPJ-LLVKDONJSA-N 334.784 3.153 30 50 EGEA C[C@H](/N=C(/O)[C@@H]1CCO[C@H]1c1ccnn1C)c1c(F)cccc1F 328642806 YMNSAQVFYXKOKB-LYOVBCGYSA-N 335.354 3.494 30 50 EGEA COc1ccccc1[C@H](C#N)NC(=O)c1ccoc1Br 225561345 QKJKHPUUBKDDSD-NSHDSACASA-N 335.157 3.045 30 50 EGEA Cc1cc(N=C(O)CN2CCC[C@H]2c2nc3c(n2C)CCCC3)on1 328653074 WSSPAHIIXVVDJB-HNNXBMFYSA-N 343.431 3.020 30 50 EGEA Cc1n[nH]c(C)c1-c1cc(-c2cnc(C(C)C)nc2)c(C#N)c(N)n1 71753796 JZHURASAFGLMSL-UHFFFAOYSA-N 333.399 3.123 30 50 EGEA N=C(N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 2013227 MOOFYEJFXBSZGE-LQGKIZFRSA-N 334.210 3.475 30 50 EGEA in-man Cc1nc2sc3c(c2c(=O)n1/N=C/N(C)C)CC[C@@H](C(C)(C)C)C3 4284208 YPARXAOQEYJZJD-AINDZBIGSA-N 346.500 3.270 30 50 EGEA Cc1nc2sc3c(c2c(=O)n1/N=C/N(C)C)CC[C@H](C(C)(C)C)C3 4284209 YPARXAOQEYJZJD-NJDFMEINSA-N 346.500 3.270 30 50 EGEA Cc1cccc(F)c1S(=O)(=O)Nc1c(C#N)cnn1C1CCCC1 252484598 GABPNCZWUWVPKJ-UHFFFAOYSA-N 348.403 3.118 30 50 EGEA C#CCCC1(CCC(=O)N(C[C@H]2Cc3ccccc3O2)C2CC2)N=N1 2325885769 LFSSPUZUNGAEDU-QGZVFWFLSA-N 337.423 3.337 30 50 EGEA O/C(=N/C[C@@H]1C[C@H](F)CN1Cc1cccs1)Nc1ccccn1 328621766 ATSSDXGWAUFNRL-STQMWFEESA-N 334.420 3.082 30 50 EGEA O=C1CCC(c2ccccc2)=C1CC(=O)N1CCC[C@H](c2ccn[nH]2)C1 77298704 OGUOTRMWINVBIX-INIZCTEOSA-N 349.434 3.323 30 50 EGEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1cccc2cnccc12 71767607 PKIGRAAGDOWBJI-UHFFFAOYSA-N 340.390 3.460 30 50 EGEA COc1cccc([C@@H]2C[C@H](O)CN2Cc2ccc(C#N)c(F)c2)c1 337399330 KDINWFAZCIEAOM-LPHOPBHVSA-N 326.371 3.014 30 50 EGEA N#Cc1cnnc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 408524697 XWFOUVMRPMPACP-CYBMUJFWSA-N 325.441 3.068 30 50 EGEA N#Cc1ccc(Br)c(CN2CCC(n3ccnc3)CC2)c1 191805927 NWKFWECLHPOOQS-UHFFFAOYSA-N 345.244 3.354 30 50 EGEA COCc1cc(C)nc(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1C#N 17885181 CPJHTNHRWKQNCZ-BETUJISGSA-N 347.484 3.005 30 50 EGEA N#Cc1cccc(OC2CCN(S(=O)(=O)C3CCCCC3)CC2)c1 264462222 AQGFJAXRPOFRSA-UHFFFAOYSA-N 348.468 3.064 30 50 EGEA CC1(C)OB(C2CCN(c3nccc(C(F)F)n3)CC2)OC1(C)C 1776007594 OGTPIVYKGLXLBR-UHFFFAOYSA-N 339.195 3.477 30 50 EGEA Cc1ccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1C 100418162 HHHCIUTVHDQTAV-CQSZACIVSA-N 340.423 3.021 30 50 EGEA CCc1noc(C)c1N=C(O)N1CCC[C@@H](Oc2ncccc2F)C1 328587817 JBJXLTNIAKSWIA-GFCCVEGCSA-N 348.378 3.168 30 50 EGEA C[C@H]1CCc2c(sc(NC(=O)CSc3nccn3C)c2C#N)C1 4334916 UJXHJPRLXGCRSM-JTQLQIEISA-N 346.481 3.209 30 50 EGEA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)CC1 328653864 XAWURWVEFXDUHO-HXUWFJFHSA-N 348.450 3.080 30 50 EGEA CC1(C)CO[C@@H](c2ccccc2Cl)CN1c1cnc(C#N)cn1 193014730 MDROHPRDVLOWKN-OAHLLOKOSA-N 328.803 3.358 30 50 EGEA O=C(NCC#C[C@@H]1CCCCO1)c1ncc(C(F)(F)F)cc1Cl 891108826 CKOLWUQGWRGJOQ-NSHDSACASA-N 346.736 3.056 30 50 EGEA CC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(O)c(Cl)c1 2881765 UURUTQSYIFTPCY-QGZVFWFLSA-N 342.782 3.400 30 50 EGEA Cc1ccc(C(=O)/C=C2\NC(=S)N(c3ccccc3C)C2=O)cc1 100134107 JAHOJUJSHWZUEI-PTNGSMBKSA-N 336.416 3.291 30 50 EGEA N#Cc1ccc(N[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)nc1 72474880 BFZOYICBUFEIMZ-AWEZNQCLSA-N 347.344 3.448 30 50 EGEA O/C(=N/[C@@H]1CCO[C@@H]1C1CC1)Nc1cc(F)c(OC(F)F)cc1F 328596414 NTFHYVOWOIFDQK-ZWNOBZJWSA-N 348.296 3.460 30 50 EGEA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cc(F)cc(C#N)c1 72440031 ULUYQVKWJOBWGO-UHFFFAOYSA-N 334.354 3.155 30 50 EGEA COc1ccc2[nH]cc(C3CCN(C(=O)c4cc(C#N)c[nH]4)CC3)c2c1 175412802 JTKGBRRAKAWARB-UHFFFAOYSA-N 348.406 3.396 30 50 EGEA Fc1ccccc1/C=N/n1c(S)nnc1COc1ccccc1 1245514 RHRBQMRWXIZZRY-VCHYOVAHSA-N 328.372 3.167 30 50 EGEA COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2)ccc1O 5115722 HJTVQHVGMGKONQ-LUZURFALSA-N 338.359 3.361 30 50 EGEA endogenous,in-man C=C(C)COc1ccc(C(=O)N(C)CCCc2nccn2C)cc1 55243698 PESCPPSFBFRSRD-UHFFFAOYSA-N 327.428 3.080 30 50 EGEA C=CC[C@@H]1CC=C[C@@H](C)N1CC(=O)Nc1ccc(N(C)C(C)=O)cc1 65385459 JVRFWCDIQVESFL-DNVCBOLYSA-N 341.455 3.203 30 50 EGEA Cn1cc(/C(O)=N/[C@@H]2CCc3cc(F)ccc32)c([C@@H]2CCOC2)n1 328627118 MJUOEEZAXNHXJF-MLGOLLRUSA-N 329.375 3.055 30 50 EGEA COc1cccc(OC[C@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)c1 72156623 MEAONWURPHVNGP-INIZCTEOSA-N 339.439 3.196 30 50 EGEA O=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2 19849676 GIPHOYUBFAGWEU-UHFFFAOYSA-N 338.363 3.296 30 50 EGEA COCCn1c(C(=O)N(C)Cc2ccc(C#N)cc2)cc2ccccc21 1875260775 LGXPKSFBRQKBDN-UHFFFAOYSA-N 347.418 3.432 30 50 EGEA C=CC(=O)N1CCC(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)CC1 1875261515 RSPBOALFGXHWAR-UHFFFAOYSA-N 345.487 3.026 30 50 EGEA Cc1sc(NC(=O)[C@@H]2CC(Cl)=CC[C@@H]2C(=O)O)c(C#N)c1C 4845012 GFZMQNUBHCITLC-WDEREUQCSA-N 338.816 3.409 30 50 EGEA O=C(COc1ccccc1)O/N=C/c1ccc(Br)cc1 4953687 QOKATBGEQAVQBN-LICLKQGHSA-N 334.169 3.405 30 50 EGEA O/C(=N/Cc1ccon1)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2 328606511 RWDJNCOZRNUBSA-VQIMIIECSA-N 325.412 3.433 30 50 EGEA Oc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1 239235737 WPIFMFZQJCPHGG-UHFFFAOYSA-N 329.831 3.197 30 50 EGEA COc1ccc(-c2nnc(S)n2N=Cc2ccccc2OC)cc1 252429359 HBTRIYCVCVUPAQ-UHFFFAOYSA-N 340.408 3.133 30 50 EGEA CC1(C)CCCN(C(=O)c2ccc(OC3CCOCC3)cc2)[C@@H]1C#N 277751913 CEJKHDZIOYEXKX-GOSISDBHSA-N 342.439 3.399 30 50 EGEA C[C@@H]1CCCN(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 405146237 NIKGDKASULIZLE-CQSZACIVSA-N 344.264 3.250 30 50 EGEA C#CCN(Cc1nc([C@H](C)OCC)no1)[C@H]1CCc2ccccc21 245287279 BTGYZMRGFFWVID-YOEHRIQHSA-N 325.412 3.290 30 50 EGEA CC(C)(C)OC(=O)CN(Cc1cccc(C#N)c1F)C1CCOCC1 408523230 IAGDLCTUXUHKHS-UHFFFAOYSA-N 348.418 3.020 30 50 EGEA O=S(=O)(N/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1 442043 AYDSCGOBDZHVLL-CXUHLZMHSA-N 329.208 3.306 30 50 EGEA C=C(C)CN(C)Cc1cccc(OC[C@H](O)CN2CCCCCC2)c1 12021700 LGPZXVQJJCCMIK-HXUWFJFHSA-N 346.515 3.310 30 50 EGEA N#Cc1cnc2ccccc2c1N1CCC(OC[C@@H]2CCOC2)CC1 302127531 GBDOLSXNKDGXHS-OAHLLOKOSA-N 337.423 3.128 30 50 EGEA Cc1cc(N2CCOCC2)ccc1C=C1C(=O)c2ccccc2C1=O 4620821 HYWJFDCARUIKJV-UHFFFAOYSA-N 333.387 3.294 30 50 EGEA COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c(OC)c1 4832377 ISZFTOOQHDANME-QPJJXVBHSA-N 326.348 3.371 30 50 EGEA CCOc1ccccc1N1CCN(/C(S)=N\Cc2ccco2)CC1 8682691 HVMIMHNKJCHOSE-UHFFFAOYSA-N 345.468 3.286 30 50 EGEA Cn1cc(/C(O)=N/[C@@H]2CCO[C@@]3(CCOC3)C2)c(C2CCCCC2)n1 329125494 SZVWNJKQKPEXOR-BEFAXECRSA-N 347.459 3.111 30 50 EGEA Cc1c(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)cnn1C(C)(C)C 328588193 YVRNSNSBFAWNHL-VQIMIIECSA-N 344.459 3.014 30 50 EGEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)c2ccc(F)c(F)c2)cn1 328627326 MQORQVFIVWRDIK-JKSUJKDBSA-N 335.354 3.406 30 50 EGEA CN/C(=N/C[C@H]1CCCO[C@@H]1c1ccc(C)cc1)NCc1ccco1 253430994 NAYNUQFXHWDVSZ-IEBWSBKVSA-N 341.455 3.421 30 50 EGEA Cc1nccn1C[C@@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 77337915 WFSWWUVKDPYAGA-INIZCTEOSA-N 335.455 3.254 30 50 EGEA C=CCn1cc(CN2CCC3(CC2)CN([C@@H](C)CCC)C(=O)O3)cn1 72419505 PROVWNGBKDKIHT-INIZCTEOSA-N 346.475 3.045 30 50 EGEA N#Cc1cnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(F)c1 413150466 UUTXAGIRXQKJDD-UHFFFAOYSA-N 327.203 3.413 30 50 EGEA CCCCCCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1 3190353 ONGBHHTXXGCYAQ-UHFFFAOYSA-N 326.462 3.284 30 50 EGEA N#CCCCN1C(=O)CCc2cc(NCc3cncs3)ccc21 225537939 FQOLCSDRNFBRHL-UHFFFAOYSA-N 326.425 3.338 30 50 EGEA CC(=O)N(C1CCC1)[C@@H]1CCCN(/C(O)=N/[C@@H]2CCC[C@@H]2C)CC1 328636700 OFYKKZOXVHUONP-BMGDILEWSA-N 335.492 3.345 30 50 EGEA CC(C)(C)c1cc(NC(=O)CCNC(=O)c2ccco2)c(C#N)s1 154276037 GHOPQFGQPAUDMO-UHFFFAOYSA-N 345.424 3.269 30 50 EGEA N#Cc1ccc(CC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 287785806 IQODJSYUNNSMQV-QHAWAJNXSA-N 346.430 3.132 30 50 EGEA COC(=O)c1cc(C(=O)/C=C/N(C)C)ccc1OCc1ccccc1 141988310 IKWWKQRJXXTTQB-VAWYXSNFSA-N 339.391 3.310 30 50 EGEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2cccc(O)c2)c1 1279570 YSNNCTVBUVISCY-LICLKQGHSA-N 326.381 3.204 30 50 EGEA N=C(O)N1CC[C@@H](C/N=C(/O)c2ccc(Cl)c(C(F)(F)F)c2)C1 328599414 RPXRZKPVADMZJZ-QMMMGPOBSA-N 349.740 3.478 30 50 EGEA C#CCCC1(CCC(=O)N(CC(=O)O)Cc2ccccc2Cl)N=N1 2325900683 FURWWDYMHFITMI-UHFFFAOYSA-N 347.802 3.109 30 50 EGEA CC(=O)C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc(Cl)cc1 283365 YEURINGIJKHIBZ-HNNXBMFYSA-N 328.755 3.224 30 50 EGEA CN(C)CCC[C@@]1(c2ccc(F)cc2)OC(=O)c2cc(C#N)ccc21 22065570 ASGSMDPSNUXWMB-FQEVSTJZSA-N 338.382 3.453 30 50 EGEA in-vitro N#Cc1cccc(N2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)n1 71735742 GZVGJBDORPVASG-IBGZPJMESA-N 343.377 3.053 30 50 EGEA O=[N+]([O-])c1ccc(/C=C\C=N\N=C\C=C/c2ccc([N+](=O)[O-])o2)o1 71770514 SUADWMOTMGDFFO-CCQWYCAXSA-N 330.256 3.472 30 50 EGEA C=CCC1(C(=O)N2CCC3(CCC3)S(=O)(=O)CC2)CCCCC1 334111779 CMIVLGJFXQOFBN-UHFFFAOYSA-N 339.501 3.083 30 50 EGEA COc1ccc(-c2cc(C3(C)CC3)nc(N)c2C#N)cc1CN(C)C 71748039 CEUCRTDIJBSBFT-UHFFFAOYSA-N 336.439 3.324 30 50 EGEA C=CC[C@@]1(CO)CCCN(Cc2cc3c(cc2OC)OCCCO3)C1 92066860 RIMNCSULMOAVKZ-HXUWFJFHSA-N 347.455 3.007 30 50 EGEA Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C12CC2 245226648 HFFAZLHMEAXMCV-IVFQKNHHSA-N 345.402 3.007 30 50 EGEA Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc(F)cc2)cc1 13123089 FRWHTNXFOYTGPX-INIZCTEOSA-N 325.339 3.342 30 50 EGEA Cc1cc([N+](=O)[O-])cc2c1NC(=O)/C2=N\Nc1cccc2cccnc12 15018508 UTVDWWTXVHRIBE-UHFFFAOYSA-N 347.334 3.220 30 50 EGEA Cc1ccc(C(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 4755242 SGNFNHVXSZAAGN-UHFFFAOYSA-N 333.731 3.034 30 50 EGEA Cc1cccc2[nH]c([C@@H]3CCCN(Cc4cc(C#N)n(C)c4)C3)nc12 72158772 VQTITWYIVKCHMD-MRXNPFEDSA-N 333.439 3.461 30 50 EGEA N#Cc1ccc(=O)n(CC(=O)Nc2ccccc2-c2ccccc2)c1 253429361 NAEHAYAYIKSADJ-UHFFFAOYSA-N 329.359 3.026 30 50 EGEA Cn1c([C@@H](C#N)C(=O)c2n[nH]c3c2CCCCC3)nc2ccccc21 190776275 KVIGFVOARPIAKJ-ZDUSSCGKSA-N 333.395 3.055 30 50 EGEA CCOC(=O)/C(=C\c1cc(Br)ccc1OCC)C(C)=O 465596 APVIJHGCIPHTKM-LCYFTJDESA-N 341.201 3.383 30 50 EGEA N#Cc1cnc2ccccc2c1N1CCC(OC[C@H]2CCOC2)CC1 302127530 GBDOLSXNKDGXHS-HNNXBMFYSA-N 337.423 3.128 30 50 EGEA COc1ccc2c(c1)/C(=N/Nc1ccc(C(=O)O)c(Cl)c1)CO2 1875252905 CVCYEPUWZXUKDR-XMHGGMMESA-N 332.743 3.255 30 50 EGEA C#CCCC1(CCNC(=O)c2c(CC)nc3ccc(Cl)cn23)N=N1 1875368686 KVAPSEVFBBRDMB-UHFFFAOYSA-N 343.818 3.246 30 50 EGEA O=C(Nc1ccc2c(c1)OCO2)C(F)(F)C(F)(F)C(F)(F)F 2900258 GEPSLPPTKXDXQZ-UHFFFAOYSA-N 333.159 3.187 30 50 EGEA C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 4845108 KUYVLBRFIIEXMG-MRXNPFEDSA-N 328.412 3.341 30 50 EGEA N#Cc1c(SCC(=O)c2ccccc2)sc2c(O)cc(=O)[nH]c12 4945410 CYDXGSLCFVDOBH-UHFFFAOYSA-N 342.401 3.142 30 50 EGEA Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)cc2)co1 8600801 GHCFGYRONRGEFM-UHFFFAOYSA-N 339.376 3.323 30 50 EGEA N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(Cl)cc2)CC1 8703033 FUGYRFZNEYAQEW-UHFFFAOYSA-N 342.786 3.446 30 50 EGEA C=CCNc1ccccc1C(=O)N(C)Cc1nc(-c2ccncc2)no1 55108572 QLQYGVJGGZHWJY-UHFFFAOYSA-N 349.394 3.002 30 50 EGEA CC(C)(C)OC(=O)N1CCC(/N=C(/O)N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]32)CC1 328598505 MIWRLOKJBDIMKS-UGQVUOCMSA-N 349.475 3.030 30 50 EGEA COc1ccc(N[C@@H]2CCCN(c3cccc(C#N)n3)C2)cc1OC 72122275 JBUXBAWHDFANOD-MRXNPFEDSA-N 338.411 3.051 30 50 EGEA C/N=C(/S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 13556527 LXCPVMCENUAIIM-UHFFFAOYSA-N 325.481 3.309 30 50 EGEA N#Cc1ccc(N=C(O)CCN2[C@H]3CC[C@H]2CC(O)=NC3)cc1Cl 330070037 HTKWRKCJHUKUFY-KBPBESRZSA-N 346.818 3.383 30 50 EGEA C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1C1CCOCC1 2325810475 MNTYCQWZTFDMFL-KXBFYZLASA-N 342.439 3.133 30 50 EGEA Cc1cccc(/C=N/N=C2\NC(=O)[C@@H](Cc3cccc(C)c3)S2)c1 4964800 CQRANTBCPWKHTN-XNHPLOEXSA-N 337.448 3.468 30 50 EGEA Cc1ccc(C(=O)/C=C2/NC(=S)N(c3ccccc3C)C2=O)cc1 100134102 JAHOJUJSHWZUEI-RVDMUPIBSA-N 336.416 3.291 30 50 EGEA COc1cc(CN2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)ccc1C#N 343371762 QODBCKUEWGWCQC-QAPCUYQASA-N 344.361 3.153 30 50 EGEA CC#CC(=O)N1CCC[C@H](c2nc(C)ncc2-c2cccc(C)c2)C1 11784324 UFHLCERSBJLCJA-SFHVURJKSA-N 333.435 3.490 30 50 EGEA C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](O)Cc1ccccc1Cl 425120772 BABCLNDBYXDVIR-FZKQIMNGSA-N 342.826 3.335 30 50 EGEA N#Cc1ccc(F)cc1CN1CCOC[C@@H]1C[C@H](O)c1cccs1 161524630 AFSWUAVETVAWPY-IRXDYDNUSA-N 346.427 3.083 30 50 EGEA OCC#Cc1csc(CN(Cc2ccccn2)Cc2ccco2)c1 952973432 HCVRALQOFWJIES-UHFFFAOYSA-N 338.432 3.282 30 50 EGEA CC1CCN(c2ccc(CO)cc2NC(=O)c2ccc(C#N)o2)CC1 14965469 NNPCFFIJVKYGHR-UHFFFAOYSA-N 339.395 3.132 30 50 EGEA in-vivo Cc1ccc(C)c(OCC(=O)O/N=C(\N)c2ccc(Cl)cc2)c1 8573216 PEMPVBKJEYPTOP-UHFFFAOYSA-N 332.787 3.199 30 50 EGEA COc1ccc(Cl)cc1NC(=O)CSc1ncccc1C#N 9295496 GCKYDUGKNDPMCV-UHFFFAOYSA-N 333.800 3.346 30 50 EGEA C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)cc2nccnc12 194443985 FFQLKHKEDBPVBW-UHFFFAOYSA-N 346.365 3.469 30 50 EGEA C=C(C)[C@@H](O)COc1ccc2c(OC)c3ccoc3nc2c1OC 13219891 LNJTUUHDKCPQAA-ZDUSSCGKSA-N 329.352 3.314 30 50 EGEA biogenic,in-vitro N#Cc1c(NC(=S)NC(=O)c2cccs2)sc2c1CCC2 2364829 FHJYAGNFBALNRQ-UHFFFAOYSA-N 333.463 3.297 30 50 EGEA CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC 4488876 DGRVWFINJPXHMW-CYBMUJFWSA-N 343.423 3.341 30 50 EGEA C=C(C)COc1ccccc1C(=O)N1CCC[C@@H](C(=O)OCC)C1 55196917 OAYKMTMMSUZTQR-OAHLLOKOSA-N 331.412 3.057 30 50 EGEA C=CCn1cc(CNCc2cc(-c3ccc(OC)cc3)on2)c(C)n1 55134251 GCNSFDQATHRKHQ-UHFFFAOYSA-N 338.411 3.331 30 50 EGEA COc1cccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)c1F 72153082 KHTHRZLATSOQTB-IINYFYTJSA-N 338.386 3.042 30 50 EGEA C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C(C)=O)c(O)c1 328596712 RXSMITDTKMTUQZ-UHFFFAOYSA-N 325.339 3.010 30 50 EGEA Cc1c(C#N)cccc1NC(=O)N[C@H]1CCN(c2ccccc2F)C1 368392607 JGJKVSYTPWYDKE-HNNXBMFYSA-N 338.386 3.406 30 50 EGEA N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 376014660 NTOXUURKOALYKD-AWEZNQCLSA-N 333.382 3.032 30 50 EGEA O=[N+]([O-])c1ccc(N2CCN(/C(S)=N\C3CCCCC3)CC2)cc1 13482570 IAFFAWSDWUDDKZ-UHFFFAOYSA-N 348.472 3.335 30 50 EGEA Cc1ncc(CO)c(/C=N/N=C/c2cccc(Cl)c2Cl)c1O 3003525 YQAIAYRQADWNMB-UPICDLATSA-N 338.194 3.348 30 50 EGEA C=CCN1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 20160951 OSEHVBICQLRFBM-UHFFFAOYSA-N 343.652 3.046 30 50 EGEA C#CCOc1ccc(/C=C2\SC(=O)N(CC(C)C)C2=O)cc1OC 2831817 ZCRCVIZVDUPMNI-YBEGLDIGSA-N 345.420 3.400 30 50 EGEA O=C(c1cccn1C(O)(C(F)(F)F)C(F)(F)F)C(F)(F)F 3154176 QDNPZSQXOXEWQR-UHFFFAOYSA-N 329.118 3.003 30 50 EGEA C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 4845107 KUYVLBRFIIEXMG-INIZCTEOSA-N 328.412 3.341 30 50 EGEA C=C(C)CN[C@@H](C(=O)OCC)c1c(C)nn(-c2ccccc2)c1C 225496144 GVTODGWSQSTIJF-GOSISDBHSA-N 327.428 3.259 30 50 EGEA N#CC1(C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)CCOCC1 116665894 UAXBFWMVFOEFRA-UHFFFAOYSA-N 346.858 3.441 30 50 EGEA C[C@@](OS(C)(=O)=O)(c1ccc(Br)cc1)C(F)(F)F 114001163 DOIIWOSCJOIGLQ-SECBINFHSA-N 347.152 3.203 30 50 EGEA in-vitro CC(C)N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 12378315 OUYRMZJXENCWJB-UHFFFAOYSA-N 336.844 3.474 30 50 EGEA C#CCOc1ccc(/C=C2\SC(=O)N(CC#C)C2=O)cc1Cl 2813835 VBPPVVCEUKLMEY-UVTDQMKNSA-N 331.780 3.022 30 50 EGEA COC(=O)c1ccc(C/N=C(/O)[C@@](C)(OC)c2ccccc2F)nc1 328591354 PBMFABPOUKKHSV-SFHVURJKSA-N 346.358 3.026 30 50 EGEA CN(C)/C=N/C(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1 12861410 CYXZHEBXLGRQGU-UFWORHAWSA-N 338.194 3.283 30 50 EGEA CCc1ccc(N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=N)cc1 334157765 OXIZVKVGQAXUPS-UHFFFAOYSA-N 346.434 3.413 30 50 EGEA N#Cc1ncccc1S(=O)(=O)N1CCCC2(CCCCC2)CC1 277184404 NVZAOLVBMIQVNK-UHFFFAOYSA-N 333.457 3.078 30 50 EGEA C[C@H](CNC1CCN(Cc2ccc(C#N)cc2)CC1)c1nccs1 186726987 DCYTVHBEGIQNGR-OAHLLOKOSA-N 340.496 3.372 30 50 EGEA O=C1C=C2CN([C@@H](C(=O)C3CC3)c3ccccc3F)CC[C@H]2S1 40442723 MJAMUSZUMAHFLH-NVXWUHKLSA-N 331.412 3.120 30 50 EGEA in-vitro COc1ccc2c(c1)CC/C2=N/OC(=O)c1ccc(OC)c(OC)c1 5060215 JTJJPLACTCXLMZ-SILNSSARSA-N 341.363 3.220 30 50 EGEA C=CCNc1ncnc2sc(C(=O)N3CCC[C@@H](C)C3)c(C)c12 12036563 RKRDQMRMAVPDNF-LLVKDONJSA-N 330.457 3.470 30 50 EGEA CCOc1cc(/C=N/NC(=S)Nc2ccc(OC)cc2)ccc1O 2544513 IBAYUWQIQGOLBX-WOJGMQOQSA-N 345.424 3.120 30 50 EGEA CN(C)CCOC(=O)Nc1ccc(C(=O)/C=C\c2ccccc2)nc1 4566926 HLQPYMZCWWVVNO-FLIBITNWSA-N 339.395 3.088 30 50 EGEA C#CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 8570504 OJMGXWHHCASCLJ-UHFFFAOYSA-N 348.402 3.187 30 50 EGEA CCCCN(CC#Cc1ccccc1)C(=O)c1c(C)nc2ncccn12 55252420 UBJAEHPRNJWVAB-UHFFFAOYSA-N 346.434 3.332 30 50 EGEA Cc1ccc(CN2CCN(/N=C/c3ccccc3[N+](=O)[O-])CC2)cc1 20171974 RUTRRWUAQQIVOZ-XSFVSMFZSA-N 338.411 3.055 30 50 EGEA C=CC[C@]1(CO)CCCN(Cc2cnc(-c3cccs3)nc2)C1 91486665 HZPOBSGMCIWOGU-SFHVURJKSA-N 329.469 3.356 30 50 EGEA Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCC[C@@H](C)CC3)CC2)o1 194212357 BGAUPINWJJCLKZ-CZUORRHYSA-N 344.459 3.156 30 50 EGEA Cc1nc(CCN(C)c2oc(-c3ccccc3Cl)nc2C#N)no1 1857800633 MIEFKJIWYAJWQF-UHFFFAOYSA-N 343.774 3.237 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(F)ccc1F 19810983 BEXDEWNYZFMRFL-INIZCTEOSA-N 333.334 3.106 30 50 EGEA C=CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCCc1ccccc1Cl 55254868 NPDLFTOFDKLLIS-CVEARBPZSA-N 348.874 3.107 30 50 EGEA COc1cccc(/C=N/c2ccc(N3C(=O)CCC3=O)c(C)c2)c1O 112561620 IQTLAEYOZYULSL-RGVLZGJSSA-N 338.363 3.113 30 50 EGEA C[C@H](/N=C(/O)N1CC[C@]2(C1)OCc1ccccc12)c1cncc(F)c1 329989246 VBUWAVMVMLONMK-ORAYPTAESA-N 341.386 3.327 30 50 EGEA CC[C@H](C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1 17068365 QPHZERASANRUED-HTMJNSLASA-N 332.425 3.218 30 50 EGEA Cc1c([C@@H](C)NCC(=O)N[C@](C)(C#N)C2CC2)oc2ccccc12 183570522 FWHPMGGRBVQGLZ-BFUOFWGJSA-N 325.412 3.200 30 50 EGEA C#CCOc1ccccc1NC(=O)N1CCO[C@H](c2ccsc2)C1 188040762 MEIQWYKURFSIHG-KRWDZBQOSA-N 342.420 3.366 30 50 EGEA CCOc1cc(Br)cc(B2OC(C)(C)C(C)(C)O2)c1 169746314 JPVRJWZQGKYTEV-UHFFFAOYSA-N 327.027 3.147 30 50 EGEA N#Cc1cnn(CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1 328589465 KEVXSEZSVVEOCF-OAHLLOKOSA-N 349.221 3.425 30 50 EGEA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3cc(C#N)ccc3Cl)C2)o1 952890503 BHCOGYALNJPMKE-YPMHNXCESA-N 344.802 3.044 30 50 EGEA COc1ccc(-c2nc(C#N)c(N3CCC[C@@H](C)C3)o2)cc1OC 1857799579 MFOFWBQTQCOPSG-GFCCVEGCSA-N 327.384 3.467 30 50 EGEA N#Cc1cc2c(nc1SCC(=O)N1CCCCC1)CCCCC2 100918 WIJJHUDTUWYRDT-UHFFFAOYSA-N 329.469 3.327 30 50 EGEA C=C(C)Cn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 205446 LKFWJJLXJGFVLU-UHFFFAOYSA-N 341.436 3.434 30 50 EGEA CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)CCC3)ccc1OC(C)C 4915077 OUSFZFRCKRKVRP-CQSZACIVSA-N 343.423 3.483 30 50 EGEA CCCCCCCCCCCCOCCOCCOCC(N)=O 100970335 PINZOVIXGXHZIW-UHFFFAOYSA-N 331.497 3.442 30 50 EGEA N#Cc1cccnc1Oc1ccc(CN2CCOCC2)c2cccnc12 67840990 DCPQFSBRRPGSDH-UHFFFAOYSA-N 346.390 3.126 30 50 EGEA Cc1ccc(Cc2ccccn2)cc1N=C(O)N1C[C@@H]2CC[C@H](C1)O2 328724379 YNQWOPGMXRJTIS-HDICACEKSA-N 337.423 3.390 30 50 EGEA N#C[C@H](C(=O)c1ccn(Cc2ccccc2)n1)c1nc2ccccc2[nH]1 357781707 SYLWTDRGGYZWMT-OAHLLOKOSA-N 341.374 3.298 30 50 EGEA Cc1nc2cc(-n3ccnc3-c3ccc(C#CCCO)cc3)ccc2[nH]1 71551869 KDGRIGIROIAFKZ-UHFFFAOYSA-N 342.402 3.458 30 50 EGEA CCn1nc(Cc2cccc(Cl)c2)nc1-c1cc(C#N)cn1C 96160629 IVZOUBKHYSUDDR-UHFFFAOYSA-N 325.803 3.419 30 50 EGEA Cc1ccc(I)c(Oc2cc(C#N)ncn2)c1 408514532 MABTYWIUSUFXGW-UHFFFAOYSA-N 337.120 3.054 30 50 EGEA N#CCSCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 113217479 LNYZWDNAKCWKFO-OAHLLOKOSA-N 340.452 3.039 30 50 EGEA CC(C)(C)c1ncc(/C=C2/CCc3occ(C(=O)O)c3C2=O)cn1 828234763 WWVHKJBEINHHEW-WDZFZDKYSA-N 326.352 3.278 30 50 EGEA COCc1cc(C)nc(SCC(=O)Nc2ccc(F)cc2)c1C#N 105105 HMGBWBZALWADQE-UHFFFAOYSA-N 345.399 3.278 30 50 EGEA C[C@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)c1cccs1 155236816 UMGBMMHFQDHJBJ-DOTOQJQBSA-N 339.464 3.261 30 50 EGEA COc1ccc(OC2CCN(C(=O)c3ccccc3C#N)CC2)cc1 77377743 LNXDAXLGCOFGKY-UHFFFAOYSA-N 336.391 3.250 30 50 EGEA Cc1oc(NC(=O)[C@@H](C)N2CCC=C(c3ccco3)C2)c(C#N)c1C 375666189 PUNXWYKUDMFHDW-CYBMUJFWSA-N 339.395 3.477 30 50 EGEA CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1ccc(Cl)cc1C#N 285004162 YIHYTCZKARVUDO-RCCFBDPRSA-N 334.847 3.228 30 50 EGEA CC(C)(C)[C@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1O 272341617 BTLNQZHNORCYFA-RYUDHWBXSA-N 327.350 3.205 30 50 EGEA N#Cc1cccnc1N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 212665248 VFEOKBKFSKSNLG-UXHICEINSA-N 329.403 3.461 30 50 EGEA COc1ccc(C)cc1NC(=S)N/N=C/c1cccc([N+](=O)[O-])c1 2156265 RBFWNKHUHWWMCO-LICLKQGHSA-N 344.396 3.232 30 50 EGEA Cc1nn(C(C)(C)C)cc1[C@H](C)/N=C(/O)N1C[C@H](C)O[C@@H](C2CC2)C1 329984674 QMEKRCPKGGVBPW-GDZNZVCISA-N 348.491 3.421 30 50 EGEA C[C@H](C(=O)N1CCCC[C@H]1C1CCOCC1)c1ccc(C#N)cc1 2325810513 OQMRBGUUGJFHAI-KXBFYZLASA-N 326.440 3.469 30 50 EGEA CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(F)cc1 549405 RGYWIDQGVHRDLH-KRWDZBQOSA-N 325.339 3.310 30 50 EGEA C[C@H](C/N=C/c1ccc2c(c1)OCO2)/N=C/c1ccc2c(c1)OCO2 4980853 NLRMZZTTXIWARR-CLNLMDRESA-N 338.363 3.071 30 50 EGEA N#Cc1cccc(N2CCC[C@](CO)(CCOc3ccccc3)C2)n1 67695909 UWZVEBZJTPVGJM-FQEVSTJZSA-N 337.423 3.001 30 50 EGEA CC1(C)OB(c2ccc3cnn([C@H]4CCCCO4)c3c2)OC1(C)C 170024193 SXVSMJSODQLQDT-MRXNPFEDSA-N 328.221 3.035 30 50 EGEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cnc2sc(C)c(C)n2c1=O 71707728 QJEMWFGFNLGDJQ-BXUZGUMPSA-N 343.452 3.108 30 50 EGEA Cn1nnc2c1C[C@H](/C(O)=N/C1(C(F)(F)F)CCCCC1)CC2 329635915 UUUPXCATESMOSB-SNVBAGLBSA-N 330.354 3.142 30 50 EGEA Cn1cc(CN2CCC[C@@H](c3ccn[nH]3)C2)c(-c2ccc(C#N)cc2)n1 179944435 RHQIFXJEBGPEPN-QGZVFWFLSA-N 346.438 3.061 30 50 EGEA C[C@@H]1CC[C@@]23OC(=N)[C@@](C#N)([C@@H]2C1)C(C#N)(C#N)[C@H](c1ccccc1)O3 230127198 GHTRPRHOWLFKPL-GFDPAEIDSA-N 346.390 3.441 30 50 EGEA Cc1ccc([N+](=O)[O-])cc1/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 2190228 JMCYWGITFABGLF-FRKPEAEDSA-N 329.268 3.291 30 50 EGEA N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1Cl 4247665 FZTVUOYMUGTAPH-UHFFFAOYSA-N 329.208 3.088 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1 13285533 UZOYBHVFOIKSOZ-MRXNPFEDSA-N 331.799 3.481 30 50 EGEA Cc1cccc(-c2cc[n+](CC(=O)c3ccc([N+](=O)[O-])cc3)cn2)c1 5711129 NNLZGQHKVOQTAJ-UHFFFAOYSA-N 334.355 3.136 30 50 EGEA Cc1cccc(C[C@@H]2S/C(=N\N=C\c3ccccc3F)NC2=O)c1 18209384 NXPZKOGKJUYCBP-YODDIOPGSA-N 341.411 3.298 30 50 EGEA C#CCCC1(CCC(=O)N2CCN(c3cccc(F)c3)C[C@H]2C)N=N1 952879145 AJWJDFBWCCMZRC-OAHLLOKOSA-N 342.418 3.219 30 50 EGEA C=CCOC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 2479783 KKJHULFASWTMFL-UHFFFAOYSA-N 348.782 3.433 30 50 EGEA C/C(=C\c1ccc(Cl)cc1)C(=O)NCC1CCN(CC#N)CC1 221991486 LXFVCGVUKYUIHF-WYMLVPIESA-N 331.847 3.095 30 50 EGEA Cc1cc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)ccn1 119528543 PFGVDDAGHASNLA-UHFFFAOYSA-N 335.411 3.006 30 50 EGEA Cc1cc(C)n2ncc(-c3c(C#N)c(N)nc4c3CCCCC4)c2n1 67804237 XWIYIUXQLSKHJH-UHFFFAOYSA-N 332.411 3.131 30 50 EGEA N#Cc1cncnc1N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 328598982 POFFYDJDWBMHEC-GFCCVEGCSA-N 325.441 3.068 30 50 EGEA OC(=Nc1cccc(-c2noc(C3CC3)n2)c1)[C@@H]1C[C@H]1c1nc[nH]n1 328588479 PZFJFXMBWSGMKY-CHWSQXEVSA-N 336.355 3.124 30 50 EGEA COc1nc2ccc(N=C(O)[C@@H]3CCn4cncc4C3)cc2s1 329116006 TUPQNOVVOGHVBQ-SNVBAGLBSA-N 328.397 3.352 30 50 EGEA CC/C(=N/NS(=O)(=O)c1ccc(CC)cc1)c1ccccc1O 17068376 NEPRFAOETCBCDC-VLGSPTGOSA-N 332.425 3.047 30 50 EGEA CCOc1cccc(/C=N/n2c(-c3ccco3)n[nH]c2=S)c1O 1254242 JNMAAZIJYYEKIG-CXUHLZMHSA-N 330.369 3.187 30 50 EGEA COc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1C#N 339784468 HDJZIGBPPJRHNG-ZWKOTPCHSA-N 326.371 3.014 30 50 EGEA N#Cc1nc(-c2ccccc2F)oc1C(=O)NCCc1ccccc1 2050024995 MMINIQDAHBRHPJ-UHFFFAOYSA-N 335.338 3.325 30 50 EGEA C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1\C=COC1=O 6491329 YIIRVUDGRKEWBV-FZOOCBFYSA-N 332.440 3.115 30 50 EGEA biogenic,in-vitro N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCc3cc(Cl)ccc3C2)cc1 280193083 YZAZGIUALWEHNT-SFHVURJKSA-N 349.821 3.479 30 50 EGEA Cc1cc(C)c(C#N)c(SCC(=O)N(C)Cc2ccccc2)n1 1422524 RVZKKXIICVTQBJ-UHFFFAOYSA-N 325.437 3.321 30 50 EGEA C[C@@H](C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)c1cccs1 155236701 UMGBMMHFQDHJBJ-WBVHZDCISA-N 339.464 3.261 30 50 EGEA C[C@H](C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)c1cccs1 155236588 UMGBMMHFQDHJBJ-RDJZCZTQSA-N 339.464 3.261 30 50 EGEA N#Cc1ccc(F)c(CN2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 340237594 OSIDDQSXQZSXKS-KDOFPFPSSA-N 332.325 3.283 30 50 EGEA C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1cccs1 6730922 MVQZIDUDZYUUAJ-UHFFFAOYSA-N 348.497 3.344 30 50 EGEA N#Cc1cccc(-n2cccc2CN2CCN(c3ccncc3)CC2)c1 65394009 ZMLRBKFJNVEXEW-UHFFFAOYSA-N 343.434 3.066 30 50 EGEA COCC1(C)CCN(C(O)=Nc2cn(C)nc2-c2ccccc2)CC1 329529689 IMQYEXFTJZZGED-UHFFFAOYSA-N 342.443 3.381 30 50 EGEA FC(F)(F)c1ccccc1/C=N/OCc1nnnn1-c1ccccc1 170650987 AOKFKUCTKGBQCU-KEBDBYFISA-N 347.300 3.232 30 50 EGEA COC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cccnc2)C1=O 4881491 LSSYBFGSQFNPAU-UVTDQMKNSA-N 338.388 3.235 30 50 EGEA O=C1N[C@H](c2ccccc2F)C(C(=O)c2ccc(Cl)cc2)=C1O 6493933 WEOCIKMGOOZREO-CQSZACIVSA-N 331.730 3.345 30 50 EGEA N#Cc1ccc(N2CCC[C@@H](NC(=O)Cc3ccsc3)C2)c(F)c1 109304232 GFXLTWNSVBJRHF-OAHLLOKOSA-N 343.427 3.087 30 50 EGEA CC(C)(/N=C(/O)CN1CCOCC1=O)c1ccc(Cl)c(Cl)c1 329871726 CRKLWHUIQFPJSH-UHFFFAOYSA-N 345.226 3.044 30 50 EGEA C=CCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S 2976694 OFDIZLINEQUBEA-QBFSEMIESA-N 333.434 3.007 30 50 EGEA Cn1nccc1CN1C[C@@H](F)C[C@H]1C/N=C(/O)CC1=CCCCC1 328628864 HRFITQQSFQLBAI-RDJZCZTQSA-N 334.439 3.180 30 50 EGEA COc1ccc(O)c(CNC2CCN(c3ccc(C#N)cc3)CC2)c1 367601668 OVNLXNZPOVHEPM-UHFFFAOYSA-N 337.423 3.031 30 50 EGEA C=CCn1c(SCc2cc(C(C)C)on2)nnc1C1CCNCC1 426372178 GQZSMODLKDQRHX-UHFFFAOYSA-N 347.488 3.335 30 50 EGEA N#Cc1ccc(-c2nnc(CN3CCC[C@H](c4ccncc4)C3)o2)cc1 295945374 LMCLZMYEOBQSQV-SFHVURJKSA-N 345.406 3.383 30 50 EGEA Cc1c(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cnn1C 1019070 FETPZSUTKDDAGC-BQYQJAHWSA-N 326.425 3.192 30 50 EGEA C[C@@H]1CCC[C@H](OC/C(O)=N/[C@@H]2CCO[C@H](c3cncn3C)C2)C1 328623695 JHLKUKRFZAZTFQ-AIANPOQGSA-N 335.448 3.192 30 50 EGEA CCCCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)NC2(C#N)CCCCC2)C1(C)C 253430363 QMAXBBCALVFHAA-GVDBMIGSSA-N 349.519 3.291 30 50 EGEA O=S(=O)(CCC(F)(F)F)/N=C(/O)[C@@H]1C[C@@]12CCc1ccccc12 328595615 ZGDWXOCIZPHQKD-GXTWGEPZSA-N 347.358 3.129 30 50 EGEA C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cc2ccccc2s1 184365926 ITLTWXNYQJJDQP-SGTLLEGYSA-N 327.453 3.360 30 50 EGEA O=C1C=C[C@H]2[C@@H](c3cccc4c3OCO4)C[C@H]1N2Cc1ccccc1 252502420 UQDRHOFDAIMBIQ-FGTMMUONSA-N 333.387 3.281 30 50 EGEA C#CC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2385931 ALHPEVGGGAQSCG-AWEZNQCLSA-N 349.386 3.392 30 50 EGEA C=CCc1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)ccc1O 71748974 HUECJBYHQFNQQP-WMLDXEAASA-N 346.434 3.328 30 50 EGEA COc1cccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)c1O 16228121 ADFMLBJWRQPWAY-GXDHUFHOSA-N 326.377 3.292 30 50 EGEA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3ccc(Cl)c(C#N)c3)C2)o1 952891280 ZFAWMWUMBUUSOG-RISCZKNCSA-N 344.802 3.044 30 50 EGEA N#Cc1ccc(C2CCN(C[C@H](O)c3cccc(F)c3)CC2)nc1 879027060 QYNMKZZFSKZORC-IBGZPJMESA-N 325.387 3.005 30 50 EGEA CCCN/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 2841233 AVFMBJWMQLWOGM-UHFFFAOYSA-N 334.416 3.269 30 50 EGEA CC1(C)Cc2c(sc(NC(=O)NCc3ccncc3)c2C#N)CO1 6672208 XSRLGORWJNYKTB-UHFFFAOYSA-N 342.424 3.188 30 50 EGEA C=CCOc1cccc(CN(CC)C(=O)c2cnc(CC)nc2)c1 55383766 CCWYQSASCJNCLF-UHFFFAOYSA-N 325.412 3.266 30 50 EGEA C=CCOc1cccc(CN2CCN(c3ncc(Cl)cn3)CC2)c1 65434699 NAHWCGZBSYTREM-UHFFFAOYSA-N 344.846 3.017 30 50 EGEA COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)c2ccccc2C1=O 1402200 BIMVRKNWOHDJIA-UHFFFAOYSA-N 331.327 3.417 30 50 EGEA COc1cc(C(=O)/C=C/Nc2ccccc2O)cc(OC)c1OC 301709 PHMPBCPSWGNNSZ-CMDGGOBGSA-N 329.352 3.227 30 50 EGEA C=CCCC(=O)NC[C@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1 12212750 XWUBKTVDCQYLIR-OAHLLOKOSA-N 343.814 3.183 30 50 EGEA C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 12380912 BNWJEHCBABPUGY-ZDUSSCGKSA-N 342.370 3.148 30 50 EGEA COc1ccc2c(c1)/C(=N/OS(=O)(=O)c1ccc(C)cc1)CCC2 5415962 JYVZHEYOQGNVJZ-VHEBQXMUSA-N 345.420 3.450 30 50 EGEA in-vitro CCc1ncsc1/C(O)=N/[C@H]1CCCO[C@@H]1c1cnn(CC)c1 328645937 ZVHNDOJIHZJXMD-UONOGXRCSA-N 334.445 3.147 30 50 EGEA C=C[C@](C)(O)c1cn(Cc2nc3c(s2)C(C)(C)CC(C)(C)C3)nn1 900593274 LNEMBMJBAGOQRT-SFHVURJKSA-N 346.500 3.426 30 50 EGEA CCCc1cc(SCC(=O)O)n2c(nc3ccccc32)c1C#N 1279381 YKEMSRCSPHMHKQ-UHFFFAOYSA-N 325.393 3.488 30 50 EGEA C=CCN(Cc1ccc(C)s1)C(=O)c1ccc(S(C)(=O)=O)cc1 55108679 ZSEQQTWRXGDOED-UHFFFAOYSA-N 349.477 3.288 30 50 EGEA Cn1cncc1[C@@H]1C[C@H](/N=C(/O)[C@@H]2C[C@H]2c2ccccc2)CCO1 328631823 RJTLCCHVSIDEJA-HPFXQQBRSA-N 325.412 3.400 30 50 EGEA COc1ccc(C[C@H](C)NC(=O)C2(C#N)CCCCC2)cc1OC 171515033 XDVYWNMALQJXIW-AWEZNQCLSA-N 330.428 3.225 30 50 EGEA C=CCn1cc(-c2cc(-c3cnn(CCC)c3C)nc(N)c2C#N)cn1 71422377 KTTVVLXXALGRRD-UHFFFAOYSA-N 347.426 3.167 30 50 EGEA Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc(F)c(C#N)c2)n1 367736108 CCHYUMJTNLQQAE-INIZCTEOSA-N 338.386 3.118 30 50 EGEA N#Cc1c[nH]c(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 178385537 LGTOWJQXNQQZFX-CYBMUJFWSA-N 340.452 3.241 30 50 EGEA CC(=O)/C(=C(/C)O)[C@@H]1c2ccccc2O[C@@H](C(F)(F)F)[C@@H]1[N+](=O)[O-] 42408787 OHPUZUJQIHXLGR-YADFJFBMSA-N 345.273 3.160 30 50 EGEA C#CCOc1ccccc1NCc1cc(OC)ccc1OCOC 185172131 QIFMBTKWQLWDTJ-UHFFFAOYSA-N 327.380 3.302 30 50 EGEA O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1ccccn1 126092 CLMJMXQKIMXMJH-UFFVCSGVSA-N 332.388 3.402 30 50 EGEA N#CCSCC(=O)Nc1ccc(Br)c2cccnc12 253393171 CMQWSWOUVJUHCM-UHFFFAOYSA-N 336.214 3.193 30 50 EGEA CC(=O)[C@@H]1C[C@@H](O)[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 71770795 TXSVIPOXNODKEY-MZLRYNDKSA-N 328.452 3.470 30 50 EGEA COc1ccc(Cc2noc([C@H](/N=C(/C)O)C3CCOCC3)n2)cc1 328645930 ZUUPYEDUJVPTGL-QGZVFWFLSA-N 345.399 3.113 30 50 EGEA C=CCNC(=O)/C(=C\c1ccc(C)cc1)NC(=O)c1ccc(C)cc1 33611617 NQTSNJKBUDWLSW-XMHGGMMESA-N 334.419 3.377 30 50 EGEA Cc1nn(Cc2nc(C3CCCCC3)cs2)c(=O)c(C#N)c1C 333153556 MCYBRPVOPYPVEO-UHFFFAOYSA-N 328.441 3.284 30 50 EGEA C=CCCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 95385821 CNWWHBPZRFBBAC-CEWLAPEOSA-N 340.467 3.050 30 50 EGEA N#CCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)n1 1475726538 GAUUALPSGQZZMT-UHFFFAOYSA-N 342.207 3.255 30 50 EGEA Cn1nnc2c(/C(O)=N/[C@H]3c4ccccc4CCC3(C)C)ccnc21 328836901 XPFIXBIIPITRKH-INIZCTEOSA-N 335.411 3.382 30 50 EGEA Cc1cccc(N=C(O)CN(C[C@@H]2CCCO2)C(=O)N(C)C)c1C 330032014 HFNBUUIOLPSIPZ-HNNXBMFYSA-N 333.432 3.054 30 50 EGEA C#CCCC1(CCC(=O)N2CCC[C@H](n3ccnc3CCC)C2)N=N1 2325892782 CGKOUDVQZWJRKJ-INIZCTEOSA-N 341.459 3.355 30 50 EGEA C#CCCC1(CCC(=O)N(Cc2ccc(C(=O)O)cc2)C2CC2)N=N1 2325901131 VHGUNDDBEYLPAQ-UHFFFAOYSA-N 339.395 3.232 30 50 EGEA C=CCNC(=O)c1ccccc1OCC(=O)Nc1c(C)cccc1C 4841514 RWKCCDKWHCWAEX-UHFFFAOYSA-N 338.407 3.237 30 50 EGEA CC1CCN([C@H](C/N=C(\N)Nc2ccccn2)c2ccccc2)CC1 170909463 OLSZAQZWAFGONI-GOSISDBHSA-N 337.471 3.281 30 50 EGEA N#Cc1ccc([C@@H](C(N)=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1 252511503 HJVJIZUPAQKKKD-IRXDYDNUSA-N 325.799 3.185 30 50 EGEA CN(Cc1ccccn1)[C@@H]1CCCN(/C(O)=N/C2CC=CC2)CC1 328623583 BXVDGBRLJBAWBN-GOSISDBHSA-N 328.460 3.001 30 50 EGEA Cn1cc(/C(O)=N/[C@@H]2CCO[C@]3(CCOC3)C2)c(C2CCCCC2)n1 329125495 SZVWNJKQKPEXOR-DNVCBOLYSA-N 347.459 3.111 30 50 EGEA O=C1N/C(=N\Nc2ccccc2)S/C1=C/c1ccc([N+](=O)[O-])cc1 4985073 YNDFHFHNBZQPJC-GXDHUFHOSA-N 340.364 3.182 30 50 EGEA N#Cc1ccc(CCC(=O)N2CCO[C@H](c3ccccc3F)C2)cc1 365381671 VOONZOVUGOHVLK-IBGZPJMESA-N 338.382 3.230 30 50 EGEA C#CCCC1(CCC(=O)Nc2ccc3oc(COC)nc3c2)N=N1 952882194 SJVJCMAKBCABQM-UHFFFAOYSA-N 326.356 3.268 30 50 EGEA N#Cc1cccc(CS(=O)(=O)N2CCC[C@@H](c3ccccc3)C2)c1 431599699 JBTXBAUKIYDUFM-LJQANCHMSA-N 340.448 3.268 30 50 EGEA C=C(C)[C@@H]1CC=C(CN2CC[C@@H](N(C)C)[C@@H](CCC(=O)OC)C2)CC1 15002841 CBYUEFVVOCLSDV-HSALFYBXSA-N 348.531 3.494 30 50 EGEA CCOC(=O)/C(=C\c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 5247265 DWRIXGMCPXRTRU-QINSGFPZSA-N 325.320 3.424 30 50 EGEA O=C(O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 13116576 YHPXYKMSQIMFLO-MGPWXQLLSA-N 326.377 3.297 30 50 EGEA CCOc1ccccc1-n1c(N)c(C#N)c2nc3ccccc3nc21 390223 WHFAJGSHINGCJU-UHFFFAOYSA-N 329.363 3.426 30 50 EGEA Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)CCC3)cc1Br 4078654 MSYWXUFHHYPHDZ-LLVKDONJSA-N 334.213 3.368 30 50 EGEA N#Cc1ccnc(N2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)c1 67457958 ABTTWDQHAMWJIH-LJQANCHMSA-N 341.842 3.428 30 50 EGEA C=CCSc1nnc([C@H]2CCCN(Cc3ccccc3O)C2)n1C 20820241 QALIMDNNYMVREN-HNNXBMFYSA-N 344.484 3.178 30 50 EGEA CN(C)/N=C(\C[C@H]1OC(=O)c2ccccc21)c1ccccc1[N+](=O)[O-] 25574597 YETXSPHHBAWZMS-VXNZKSKFSA-N 339.351 3.162 30 50 EGEA N#Cc1cccc(CNC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1 119153737 IWAMSPNJHWQQOJ-RTBURBONSA-N 335.407 3.278 30 50 EGEA O=C(C1CCC(/N=C(/O)C2CC2)CC1)N1CCc2ccc(O)cc2C1 330015216 NPGCEOHDGXUESL-UHFFFAOYSA-N 342.439 3.202 30 50 EGEA O=C(O)CCOc1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1 368791208 QTYKTJSFKHQZBB-RAXLEYEMSA-N 342.322 3.338 30 50 EGEA Cc1ccccc1-c1ncc(-c2c(C#N)c(N)nc3c2CNCC3)s1 72128172 YZNWXRMOEDQKCP-UHFFFAOYSA-N 347.447 3.280 30 50 EGEA Cc1nnc(N2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c(C#N)c1C 376477521 DGSVJQNUVRKBQZ-KRWDZBQOSA-N 332.329 3.318 30 50 EGEA N#Cc1ccccc1NC(=O)CCN1CCC(C2CCOCC2)CC1 170687436 ZLURMAIVZJUPJD-UHFFFAOYSA-N 341.455 3.025 30 50 EGEA Cc1nn(C)cc1/C=N/NC(=S)Nc1ccc(Cl)c(Cl)c1 124538 LHQSADXXCBEEAX-OMCISZLKSA-N 342.255 3.356 30 50 EGEA COc1ccc(C(=O)/C=C\Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 106014225 UXAMBHPAEUNHPG-KTKRTIGZSA-N 328.324 3.421 30 50 EGEA Cc1ccc(N/C(N)=N/c2nc(-c3ccccc3)cc(=O)[nH]2)c(C)c1 20064190 NAXGDJAVXOBVMS-UHFFFAOYSA-N 333.395 3.112 30 50 EGEA Cc1[nH]ccc1/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328618518 DUQCMPMRNLWIAG-JTQLQIEISA-N 326.322 3.106 30 50 EGEA CC(C)(C#N)CC(=O)N1C[C@@H](COc2ccccc2)OC(C)(C)C1 285035456 NHBMJKNSFUQHJE-INIZCTEOSA-N 330.428 3.011 30 50 EGEA O=C1CCC(c2ccccc2)=C1CC(=O)N1CCC[C@@]2(CCOC2)C1 91547089 UIQKYHSQAGIRAM-OAQYLSRUSA-N 339.435 3.222 30 50 EGEA N#Cc1cccc(NC(=O)NCCOc2cccc3cccnc23)c1 244403966 YLYOTSVKAUUUEW-UHFFFAOYSA-N 332.363 3.307 30 50 EGEA Oc1cccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1 19773242 JVPGCENVDPAAFH-DEDYPNTBSA-N 329.831 3.197 30 50 EGEA N#C[C@H](c1ccccc1)C1CCN(c2cccc(F)c2C(N)=O)CC1 1875287884 FBXRMBSMOYFNEG-MRXNPFEDSA-N 337.398 3.448 30 50 EGEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2c(F)cc(C#N)cc2F)C1 888102562 AXDZIPARFHRGAP-DOMZBBRYSA-N 332.354 3.143 30 50 EGEA C=CCC1(S(=O)(=O)N(C)[C@@H]2CCCc3nc(C)sc32)CC1 1775999290 IHKOJEJVKDBDOS-CYBMUJFWSA-N 326.487 3.199 30 50 EGEA C=CCOc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1 4841299 ZDWYEJCGKROJOW-UHFFFAOYSA-N 341.407 3.241 30 50 EGEA COC(=O)c1cc(C#N)c(NCc2cc(-c3ccccc3)no2)nc1C 20385955 HLUQDXYFLVUQHI-UHFFFAOYSA-N 348.362 3.315 30 50 EGEA CC(C)CCN1C[C@]2(CCCN(c3cc(C#N)ccn3)C2)CCC1=O 91644449 FMKGAJLKUNULCB-HXUWFJFHSA-N 340.471 3.208 30 50 EGEA N#Cc1ccc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1F 248881929 PRWSTHZPZWKLRS-KDOFPFPSSA-N 332.325 3.283 30 50 EGEA O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1O/N=C(/c1ccccc1)C(F)(F)F 2325751444 GTUSEUWYVMZDST-MZKFNBBBSA-N 340.345 3.417 30 50 EGEA O=C(C[n+]1cc2ccccc2cn1)Nc1ccc(C(F)(F)F)cc1 2519865 YSJRETHEPVDADB-UHFFFAOYSA-O 332.305 3.180 30 50 EGEA COC(=O)c1ccc(N/C(S)=N/C2CC(C)(C)NC(C)(C)C2)cc1 8683495 UOHONZBOOYPEKJ-UHFFFAOYSA-N 349.500 3.480 30 50 EGEA C=CCn1cc(CNC[C@H](c2ccccc2Cl)N(C)C)c(C)n1 55211327 ADIQQBBKJMDMTH-GOSISDBHSA-N 332.879 3.423 30 50 EGEA N#Cc1ccc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)nc1N 328597877 JFOYHDBAMLFWSW-ZDUSSCGKSA-N 339.468 3.255 30 50 EGEA Cc1cc(C(F)(F)F)nc(SCn2cc([N+](=O)[O-])cn2)c1C#N 6400109 ZWCGKHHTIOEIFP-UHFFFAOYSA-N 343.290 3.135 30 50 EGEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)CCc1nc(-c2ccco2)no1 1615696820 ZCAMGUIUMKASOB-KBPBESRZSA-N 327.384 3.384 30 50 EGEA C#CCn1c([C@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 7425216 LNQMRGCMULFJHY-INIZCTEOSA-N 329.403 3.498 30 50 EGEA N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2c2cccs2)cc1 247652258 NSQNREJSIXMHHZ-WBVHZDCISA-N 328.437 3.197 30 50 EGEA N#Cc1ccccc1N1CCCN(CCCO[C@H]2CCCCO2)CC1 373410046 YDUAQRWZQBPPJQ-FQEVSTJZSA-N 343.471 3.004 30 50 EGEA CN(C)CCCN(C)C(=O)c1cccc(-c2ccc(F)c(C#N)c2)c1 426491081 RWAUFFDNGIJCII-UHFFFAOYSA-N 339.414 3.388 30 50 EGEA Cc1ccc(S(=O)(=O)OCCCCNC(=O)OC(C)(C)C)cc1 83315704 WBSGGWFVABZVGV-UHFFFAOYSA-N 343.445 3.005 30 50 EGEA CCOc1cc2c(cc1/C=N/Nc1oc(C)nc1C#N)O[C@H](C)C2 170640949 WPYNILHOXGBIAT-XTTRTJGBSA-N 326.356 3.023 30 50 EGEA COc1cccc(-c2nnc(S)n2/N=C/C=C/c2ccco2)c1 5932596 PFWQEZZWGIJABI-JDKJHHCNSA-N 326.381 3.383 30 50 EGEA CCCCC(=O)Nc1ccc(C(=O)N(CCC#N)CCC#N)cc1 4696332 LVJPFXFBUPSUSL-UHFFFAOYSA-N 326.400 3.085 30 50 EGEA CCOc1cc(C=Nn2cnnc2)ccc1OCCc1ccccc1 8573161 GVEFZRAMXFRSMS-UHFFFAOYSA-N 336.395 3.181 30 50 EGEA Cc1c(I)cccc1N=C(O)N1CCCCO1 328589656 VSFFOXSEDYXKHZ-UHFFFAOYSA-N 346.168 3.173 30 50 EGEA Cc1nc(N=C(O)[C@H]2CCCN2C2CC2)sc1SCC(=N)O 330250071 GRAPTDFCCGSWLI-SNVBAGLBSA-N 340.474 3.294 30 50 EGEA N#Cc1cc(=NCc2ccc(-n3ccnc3)cc2)[nH]c2ccccc12 1875259492 GYDRVZONGBBDSV-UHFFFAOYSA-N 325.375 3.326 30 50 EGEA C=CCn1cc(CN(CCO)Cc2ccc(SC)cc2)c(C)n1 55575430 VFNQZNJSLIYCIZ-UHFFFAOYSA-N 331.485 3.094 30 50 EGEA C[C@H](C1CC1)n1cc(N=C(O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)cn1 329828007 IZTVZPCDWXKWNC-DAXOMENPSA-N 332.448 3.289 30 50 EGEA CC(C)[C@@H]1CN(C(=O)c2ccccc2C#N)CCCN1CC1CC1 71765525 JDHCFZHFZVWMTI-IBGZPJMESA-N 325.456 3.141 30 50 EGEA CC(C)C(=O)C1=Cc2cc([N+](=O)[O-])ccc2O[C@H]1N1CCCCC1 22064815 LGIMNUYWIJRUDW-GOSISDBHSA-N 330.384 3.408 30 50 EGEA COc1cc(O)c(C(=O)/C=C/c2cccc(OC)c2OC)c(OC)c1 4252738 LYUYMCWIWGASRX-CMDGGOBGSA-N 344.363 3.323 30 50 EGEA biogenic,in-vitro Cc1c(C#N)c(N2CCN(C3CCCCC3)C(=O)C2)nc2ccccc12 1857680883 QJSOSWSJZOIBDC-UHFFFAOYSA-N 348.450 3.396 30 50 EGEA CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1cccc(F)c1 80212 NMZKQWZQSHTDQX-MRXNPFEDSA-N 327.311 3.020 30 50 EGEA O=S(=O)(O[C@@H]1CC[C@@H]2CC[C@H]21)c1ccc(Br)cc1 104949368 ICMSWNALDAFPPO-ZWKOPEQDSA-N 331.231 3.343 30 50 EGEA Cc1ncsc1CCN(C)Cc1ccc(C#CC(C)(C)O)s1 952986802 ILCLELHQWRAIMS-UHFFFAOYSA-N 334.510 3.310 30 50 EGEA C=CC[C@@H](C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[nH]1)c1ccccc1 1456397432 MWXBISIWLDPGRL-CMPLNLGQSA-N 338.333 3.361 30 50 EGEA N#Cc1cnc(N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)c(Cl)c1 376263816 ZNBZCZGUENHBFD-CVEARBPZSA-N 327.815 3.209 30 50 EGEA C[C@@H](CC#N)N(C)C[C@](O)(c1ccc(Br)cc1)C(F)F 1875275587 AASAUFAKXYZZJK-HZMBPMFUSA-N 347.203 3.136 30 50 EGEA C=C(C)COc1ccccc1CN1CCN(C(=O)C(C)(C)C)CC1 55404715 XMDDFOVQORGKQK-UHFFFAOYSA-N 330.472 3.332 30 50 EGEA N#Cc1cccc(-n2ccc(C(=O)Nc3nc4ccc(F)cc4[nH]3)n2)c1 225589615 PINSRYBGYKRMCX-UHFFFAOYSA-N 346.325 3.012 30 50 EGEA CSc1ccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)cc1 1429750 HYIZIACQDLVXKS-AWEZNQCLSA-N 330.453 3.208 30 50 EGEA Cn1cc(CNC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1C#N 372784771 PIHINMJDRGPNLL-AWEZNQCLSA-N 328.847 3.166 30 50 EGEA CCOc1ccccc1N1CCN(c2snc(C)c2C#N)CC1 285557992 JBCCWXISTYLOIS-UHFFFAOYSA-N 328.441 3.049 30 50 EGEA CC#CC(=O)N1CCC[C@H](C(=O)c2ccc3cc(OC)ccc3c2)C1 14974627 NFYGMBNGSSIADT-SFHVURJKSA-N 335.403 3.293 30 50 EGEA CC1(C)OB(CC2CC3(CCN(C(=O)C(F)F)CC3)C2)OC1(C)C 1875370095 BLNMUYOILICKTP-UHFFFAOYSA-N 343.223 3.363 30 50 EGEA C#CCCC1(CCNC(=O)c2[nH]nc(C(F)(F)F)c2C(C)C)N=N1 1875382250 WCIJAFAMHSTZMG-UHFFFAOYSA-N 341.337 3.247 30 50 EGEA Cc1nc(/C(O)=N/[C@@H]2CCOC(C)(C)C2)c(Br)s1 328592869 UYSXBWPXCQWIIV-MRVPVSSYSA-N 333.251 3.476 30 50 EGEA N#Cc1c(-c2ccc3c(c2)OCO3)ccn2nc(-c3ccco3)nc12 4050906 SEKTYBJRWVIIAJ-UHFFFAOYSA-N 330.303 3.257 30 50 EGEA N/C(=N\OC(=O)COc1ccccc1Cl)c1ccc(Cl)cc1 5042365 PKEHLSAURISJRP-UHFFFAOYSA-N 339.178 3.236 30 50 EGEA Cc1cccc(/C(N)=N/OC(=O)c2ccc(Br)cc2)c1 5091098 BAGFZMFQTMIWQB-UHFFFAOYSA-N 333.185 3.235 30 50 EGEA Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)c(C)n1 162372612 ALIXNYPMBYHINL-OAHLLOKOSA-N 344.212 3.456 30 50 EGEA CCOC(=C\N(C)C)/C=C1/CC/C(=C\C(=C\N(C)C)OCC)C1=O 226503803 UGFAQFAGZZITCR-QVQUDUQVSA-N 334.460 3.081 30 50 EGEA CN1CC[C@@]2(CCN(C(=O)Nc3ccc(C#N)c4ccccc34)C2)C1 96130870 QVQUZYFSNTZKHY-HXUWFJFHSA-N 334.423 3.271 30 50 EGEA C=CC[C@@]1(C(=O)O)CCCN(Cc2c[nH]c(CC3CCCC3)n2)C1 92062022 IFSKGKYTJHMISS-LJQANCHMSA-N 331.460 3.385 30 50 EGEA COc1cc(/C=C2/COc3c(F)cccc3C2=O)cc([N+](=O)[O-])c1O 170595647 SVIDGEKVIGQYCK-YHYXMXQVSA-N 345.282 3.107 30 50 EGEA N#Cc1cccc(N2C(=O)N[C@H](Cc3cccc4ccccc34)C2=O)c1 170613780 GOXWROOEMLAUJM-LJQANCHMSA-N 341.370 3.379 30 50 EGEA C=CCNCc1cc2cc(OC)c(OC)cc2n(CC(=C)Cl)c1=O 12331518 FQCSOZLLFVLYMK-UHFFFAOYSA-N 348.830 3.047 30 50 EGEA Cc1noc([C@H](/N=C(/O)Cc2ccc(F)cc2)C2CCOCC2)n1 328614688 WPOABXLILDAXCG-MRXNPFEDSA-N 333.363 3.184 30 50 EGEA N#Cc1ccc(C2CCN(C[C@H](O)c3ccc(F)cc3)CC2)nc1 879026622 JSVFSOFYDXGSLR-IBGZPJMESA-N 325.387 3.005 30 50 EGEA C#CCCC1(CCC(=O)Nc2cccn(Cc3ccccc3)c2=O)N=N1 2325892147 BFIRJJPDBKCOIO-UHFFFAOYSA-N 348.406 3.191 30 50 EGEA C=CCOC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 2479775 BEFSNRONXSESOY-UHFFFAOYSA-N 334.755 3.043 30 50 EGEA C=CCC[C@H](CN(C)Cc1cccnc1)Oc1cc(CC)ncn1 67588995 ZSJUEXBUYITKIG-GOSISDBHSA-N 326.444 3.280 30 50 EGEA N#Cc1ccc([C@H](C(N)=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1 252511502 HJVJIZUPAQKKKD-DLBZAZTESA-N 325.799 3.185 30 50 EGEA O/C(=N/C[C@@H]1CCCn2ccnc21)N1CCCC[C@H]1c1nccs1 328598490 BGCXCAGTKKPOEQ-KBPBESRZSA-N 345.472 3.358 30 50 EGEA C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cc2ccccc2s1 184365981 ITLTWXNYQJJDQP-KZULUSFZSA-N 327.453 3.360 30 50 EGEA CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccnc(C3CC3)c2)cc1 408513972 IOBPKWLZCXGZQY-QGZVFWFLSA-N 333.391 3.483 30 50 EGEA COc1ccc(/N=C2\SCC(=O)N2c2ccc(OC)cc2)cc1 13467658 AIPQWDLMORICDV-ZCXUNETKSA-N 328.393 3.471 30 50 EGEA CC1(C)OB(c2cccc3c2cnn3[C@H]2CCCCO2)OC1(C)C 169982317 NWAGHQGLQLEDIZ-MRXNPFEDSA-N 328.221 3.035 30 50 EGEA C[C@@]1(N2CCOCC2)CCN(c2c(Cl)cc(C#N)cc2Cl)C1 1875405528 IKCXDBGLGJHPJL-MRXNPFEDSA-N 340.254 3.166 30 50 EGEA N#Cc1cc(NC(=O)NC2([C@@H]3CCCCO3)CCC2)c(F)cc1F 880708017 BVLRMMZJIVXAFV-HNNXBMFYSA-N 335.354 3.450 30 50 EGEA Cc1c(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)cnn1C(C)(C)C 328588191 YVRNSNSBFAWNHL-QFBILLFUSA-N 344.459 3.014 30 50 EGEA C=CCn1cc(CN2CCC3(CC2)CN([C@H](C)CCC)C(=O)O3)cn1 72419504 PROVWNGBKDKIHT-MRXNPFEDSA-N 346.475 3.045 30 50 EGEA C=CCSc1nc(O)c2c(n1)NC(=O)C[C@@H]2c1cccc(C)c1F 670416181 WNUOVVNGJPJAMH-LLVKDONJSA-N 345.399 3.382 30 50 EGEA Cc1c(NC2=CC(=O)CC(C)(C)C2)c(=O)n(-c2ccccc2)n1C 13556127 OGAOXBRSUIHURM-UHFFFAOYSA-N 325.412 3.169 30 50 EGEA CC[C@@]1(CO)CCCN(C(O)=Nc2csc(-c3ccccn3)n2)C1 330251570 NQHOVZSPXNEBRL-QGZVFWFLSA-N 346.456 3.235 30 50 EGEA O=C1Nc2ccccc2/C1=N\c1ccc(I)cc1 6534236 GCHQBRYRLIOPLP-UHFFFAOYSA-N 348.143 3.364 30 50 EGEA C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)c2cnn(C)c2C#N)C1 408350585 SNHIYKZEVUEURU-JTQLQIEISA-N 346.843 3.334 30 50 EGEA C=C[C@](C)(CCOC)C(=O)N1CCC2(CC1)OCCc1ccsc12 353460827 QSUIAZPBIUSSHK-GOSISDBHSA-N 349.496 3.367 30 50 EGEA N#Cc1cc(NCc2ccc(C(N)=O)cc2F)cc(-c2ccncc2)c1 1875357101 YQOQIMSSSXMPEE-UHFFFAOYSA-N 346.365 3.470 30 50 EGEA N/C(=N\OC(=O)C(c1ccccc1)c1ccccc1)c1ccccn1 4171353 XEEGJTWVBAMGJY-UHFFFAOYSA-N 331.375 3.077 30 50 EGEA C#CCn1c([C@@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 7425214 LNQMRGCMULFJHY-MRXNPFEDSA-N 329.403 3.498 30 50 EGEA C[C@H]1CN(C(=O)Cc2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 172667447 YDQISMGPZHVVQV-LIRRHRJNSA-N 338.382 3.228 30 50 EGEA CCn1c(NC(=O)[C@@H]2CCOc3ccccc32)nc2cc(C#N)ccc21 132118820 ZQIVPUSEVLKERI-OAHLLOKOSA-N 346.390 3.433 30 50 EGEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)C2CCCCCC2)cc1 220039805 MJAXARBHKSGUQD-RTBURBONSA-N 342.439 3.181 30 50 EGEA Cc1ccc([C@H]2CCCN2[C@H]2CCN(c3sccc3C#N)C2=O)o1 267579456 FYKXXUGFYCTLRC-CABCVRRESA-N 341.436 3.464 30 50 EGEA N#Cc1ccc(NC(=O)N2CCCC[C@@H]2CCc2ccccn2)cn1 299772792 BXRVOJZPLVHQEF-GOSISDBHSA-N 335.411 3.367 30 50 EGEA C=C[C@](C)(C[C@@H]1C[C@H]2CC[C@H]1C2)OC(=O)C[C@H]1CCS(=O)(=O)C1 252515997 PEILSFBSOICGPW-ULQWZQFMSA-N 340.485 3.125 30 50 EGEA Cc1ccc(Cc2ccccn2)cc1N=C(O)N1CC[C@H](O)[C@@H](C)C1 329228840 CBKVADQJKSPRNB-KXBFYZLASA-N 339.439 3.229 30 50 EGEA Cc1ccc2cnn([C@H]3CCCCO3)c2c1B1OC(C)(C)C(C)(C)O1 328578257 FQDKNHOWVOERAI-OAHLLOKOSA-N 342.248 3.343 30 50 EGEA CCc1nn(C)cc1C(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc12 181252636 XZQUETHCXFWMGV-HNNXBMFYSA-N 346.390 3.097 30 50 EGEA C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@@]2(C)/C(=C/CO)CC[C@H]12 254096470 SBMHTRUNPKWTLU-DHRKTQAVSA-N 330.468 3.408 30 50 EGEA COc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)c2ccccc12 65178 HDTLFCFZZXGDTA-CIAFOILYSA-N 330.343 3.479 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)N=N1 952881108 KVSGNKHROXEYOI-AEFFLSMTSA-N 325.412 3.379 30 50 EGEA C=C(C)COc1ccc(C(=O)N2CCCC[C@@H]2C(=O)OCC)cc1 55155018 OLKVEPAEVJBIOV-QGZVFWFLSA-N 331.412 3.199 30 50 EGEA C=CCOc1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2)c(O)c1 2813211 MCSHTIOGRBBSLT-UHFFFAOYSA-N 341.363 3.386 30 50 EGEA COCCOc1ccc(C/C(O)=N/[C@@H](C(C)C)C2(CO)CCC2)cc1 328598542 MUJVQEXTTPNTML-IBGZPJMESA-N 349.471 3.398 30 50 EGEA N#Cc1ccc(NC(=O)C(=O)N(Cc2ccco2)C2CCCC2)cc1 155727244 SNMXKGCECYBWCY-UHFFFAOYSA-N 337.379 3.061 30 50 EGEA CCCN1CCc2nc(N)c(C#N)c(-c3ccc4[nH]ccc4c3)c2C1 72148163 BGRSQDDPLLDXCC-UHFFFAOYSA-N 331.423 3.452 30 50 EGEA C=CCN(CC=C)C(=O)c1cc(COc2cncc(Cl)c2)on1 12592178 LSQBXQGJDVRYKV-UHFFFAOYSA-N 333.775 3.116 30 50 EGEA C#CCCC1(CCC(=O)N[C@H](Cc2ccccn2)c2ccccn2)N=N1 2325892806 GKLQYUVRUQSFSP-GOSISDBHSA-N 347.422 3.232 30 50 EGEA C#CCOc1cc(Br)c(CNCC(C)C)cc1OC 2861742 PFHQDWNVSPTDLG-UHFFFAOYSA-N 326.234 3.215 30 50 EGEA Cc1cc(=NC[C@@H](c2cccnc2)N2CCCCC2)[nH]c(C)c1C#N 2356156935 XLKMVPSCEBPJEC-IBGZPJMESA-N 335.455 3.026 30 50 EGEA CCc1ccc(S(=O)(=O)N/N=C\c2c[nH]c3ccccc23)cc1 32568398 CCXRIKCVLRBUND-UNOMPAQXSA-N 327.409 3.043 30 50 EGEA CC1CCC(NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)CC1 4858192 GLLIFEANBSATHM-UHFFFAOYSA-N 345.468 3.132 30 50 EGEA CN(C)C(=O)c1cccc(C(=O)N[C@](C)(C#N)CCc2ccccc2)c1 110844236 NQHCQSMLXXOOCG-NRFANRHFSA-N 349.434 3.033 30 50 EGEA Cc1c(-c2ccccc2F)o[nH]c1=N/C(O)=N/[C@@H]1CCO[C@H]1C1CC1 328595795 FFACTWPUEJIMGG-ZBFHGGJFSA-N 345.374 3.104 30 50 EGEA Cc1nc[nH]c1C/N=C(/O)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2 328602219 AVGPPGSVCJZFKH-YLJYHZDGSA-N 338.455 3.477 30 50 EGEA C[C@@H]1CN(C(O)=Nc2cn(Cc3ccccc3)nn2)[C@@H]2CCCC[C@@H]12 330275696 LWFFLALCZKWVCX-HYVNUMGLSA-N 339.443 3.382 30 50 EGEA C#CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)cc1 72115587 CVFZMOVOBPQYBM-QGZVFWFLSA-N 335.407 3.484 30 50 EGEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/C(O)=N/CCc1ccsc1 328609339 CWWJNDCNJUPWSX-HOCLYGCPSA-N 333.457 3.375 30 50 EGEA C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1C1CCOCC1 2325810473 MNTYCQWZTFDMFL-DNVCBOLYSA-N 342.439 3.133 30 50 EGEA C#CCCC1(CCC(=O)NCCCn2ccnc2C2CCCC2)N=N1 2325900131 LXLIXJHZYOHRLO-UHFFFAOYSA-N 341.459 3.403 30 50 EGEA C#CCCC1(CCC(=O)N2CCc3cc(C(=O)O)ccc3[C@H]2C)N=N1 2325901024 QQFAXHNVTWESPO-CYBMUJFWSA-N 339.395 3.186 30 50 EGEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2ccccc2)cc1 6876118 ISVCGBLDRYOFML-LDADJPATSA-N 339.424 3.210 30 50 EGEA CCC1=C[C@H]2C(=O)C(c3ccc(F)cc3)=CO[C@@H]2C(CN(C)C)=C1O 22258459 XKWDSTQZFSKVBP-YWZLYKJASA-N 343.398 3.474 30 50 EGEA O/C(CCc1ccccn1)=N/CCc1ccccc1N1CCOCC1 328596913 BMFRTWAZWKGUBI-UHFFFAOYSA-N 339.439 3.050 30 50 EGEA C=C1Cn2c(c(C(=O)Nc3ccc(OC)cc3)c(=O)c3ccccc32)O1 144625639 AOBKUWYGRCSVAW-UHFFFAOYSA-N 348.358 3.169 30 50 EGEA C=C(C)CN(CC)[C@H]1CCC(=O)N(Cc2cccc(OC)c2)CC1 14984377 AJSBAYVOTTUNJG-SFHVURJKSA-N 330.472 3.474 30 50 EGEA C=CCCC(=O)N(CCc1ccc(OC)cc1)CC1CCN(C)CC1 12073100 XISADABTDPVIJY-UHFFFAOYSA-N 344.499 3.374 30 50 EGEA C=CCN1C(=O)/C(=C2/C(=O)N(CCC)c3ccccc32)SC1=S 13773575 SGROJWVZHRAJOM-YPKPFQOOSA-N 344.461 3.201 30 50 EGEA C[C@H]1CCCN(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 405146236 NIKGDKASULIZLE-AWEZNQCLSA-N 344.264 3.250 30 50 EGEA Cc1ccc(OCC(=O)Nc2sc(C)c(C)c2C#N)c([N+](=O)[O-])c1 6690892 BSESZPHSNMUJLI-UHFFFAOYSA-N 345.380 3.471 30 50 EGEA C=C(C)COc1cccc(C(=O)NCCc2ccc(OC)c(O)c2)c1 55154075 YOUVBCDFMGYFLR-UHFFFAOYSA-N 341.407 3.328 30 50 EGEA CC[C@@H](C/N=C(/O)[C@H]1CCCC(O)=N1)N1CCc2ccccc2C1 328834557 WUODZEUQSHCTES-DLBZAZTESA-N 329.444 3.289 30 50 EGEA CCOC(=O)C1(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)CC1 181843759 TVVJIRTUVAVUCW-NSHDSACASA-N 341.194 3.018 30 50 EGEA C=CCC1(OCc2ccccc2)CCN(CCC(=O)N(C)C)CC1 244716276 LMCASKGVWGAVON-UHFFFAOYSA-N 330.472 3.092 30 50 EGEA C=CCc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1OC 14401811 JVWGMVGAVRQHJE-UHFFFAOYSA-N 336.435 3.386 30 50 EGEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N(C)C(=O)OC(C)(C)C 169745790 FZESGBZQXNHCBH-UHFFFAOYSA-N 348.252 3.061 30 50 EGEA CCOC(=O)[C@@H](C#N)[C@@]1(c2ccccc2OC)CCOC(C)(C)C1 206895 JKYAQPBLKAVSMJ-BEFAXECRSA-N 331.412 3.225 30 50 EGEA COc1ccc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)cc1 390235 BPUDGWCIWMDOJT-UHFFFAOYSA-N 329.363 3.095 30 50 EGEA N#Cc1cc2c(nc1N1CCC[C@@]3(CCc4c[nH]nc43)C1)CCCC2 2356144186 MHDLGLIIVITUPB-HXUWFJFHSA-N 333.439 3.040 30 50 EGEA Cc1ccnc(N2C[C@@H](COc3ccccc3)OC(C)(C)C2)c1C#N 329224088 ZBRJZLWDAPMYAJ-KRWDZBQOSA-N 337.423 3.325 30 50 EGEA COc1cc(N[C@@H]2CCCN([C@@H]3CC[C@@H](C#N)C3)C2)cc(OC)c1 332360528 UXHNQNAJGZMBJB-BFYDXBDKSA-N 329.444 3.272 30 50 EGEA CN(c1nc(C(F)(F)F)ccc1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 242389636 ZZCNVBFMPJUGIU-CYZMBNFOSA-N 325.334 3.222 30 50 EGEA CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H](CC#N)c2ccccc2)c1 408513992 LASZHRMMXXNXSY-KXBFYZLASA-N 336.391 3.428 30 50 EGEA C=CCn1c(SCCCN2CCCCC2)nnc1-c1cccnc1 191814231 ABKPYSMISIXWNL-UHFFFAOYSA-N 343.500 3.494 30 50 EGEA O=C1CN2C(=C1c1nc3ccccc3s1)N=C(O)c1ccccc12 101157240 WFVCDCIFZOAVKF-UHFFFAOYSA-N 333.372 3.372 30 50 EGEA Cc1coc(C)c1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 332440826 ZZJDTYXAGAFDPQ-UHFFFAOYSA-N 343.814 3.384 30 50 EGEA Cc1cc(C#N)cc(N2CCC(O)(c3cccc4cnccc34)CC2)n1 952964812 WSYDHELXEDCQGY-UHFFFAOYSA-N 344.418 3.298 30 50 EGEA Fc1ccc(/C=N/Nc2nc(-c3ccncc3)no2)c2ncccc12 1875261376 NMLWKGOJPHRYRB-UFFVCSGVSA-N 334.314 3.265 30 50 EGEA C[C@@H]1CC(NCc2ccccc2)=CC(=O)[C@@H]1C(=O)NCc1ccccc1 100000757 GLBNMIOAGOTENI-IIBYNOLFSA-N 348.446 3.202 30 50 EGEA Cc1ncsc1CN(C)C[C@@H]1CCN(c2snc(C)c2C#N)C1 329181793 DZGQQEBLRFNCQZ-ZDUSSCGKSA-N 347.513 3.046 30 50 EGEA CC(C)Nc1ccc(-n2ccnc2-c2ccc(C#CCO)s2)cn1 77300421 NFFPELJLUGXDQK-UHFFFAOYSA-N 338.436 3.160 30 50 EGEA COCCOc1ccc(NC(=O)NCC2CCC(C#N)CC2)cc1F 282043906 AAXMBFNEGBMPSW-UHFFFAOYSA-N 349.406 3.302 30 50 EGEA CCOc1ccc(CN2CCCn3nc(C#N)cc3C2)cc1Cl 823383218 HKVGGOITNBDFPY-UHFFFAOYSA-N 330.819 3.213 30 50 EGEA COc1cc(OC)c2ncc(C#N)c(NCc3c(C)n[nH]c3C)c2c1 1331956343 UVGWVLJSOFBSBS-UHFFFAOYSA-N 337.383 3.076 30 50 EGEA N#C[C@@H](NC(=O)C1SCCS1)c1cccc(Cl)c1Cl 408513695 FKLZOLGKRHSSNJ-SECBINFHSA-N 333.265 3.480 30 50 EGEA C=CCC(O)(CC=C)CNc1cc(C(=O)N2CCCCC2)ccn1 1529168618 IBWUKWFMBXUFLV-UHFFFAOYSA-N 329.444 3.003 30 50 EGEA Cc1ccc(-c2csc3nc(C)n(/N=C/N(C)C)c(=O)c23)cc1 4071033 SWVHMMRMIULNDA-VCHYOVAHSA-N 326.425 3.095 30 50 EGEA Cc1ccc(-c2cc[n+](CC(=O)c3ccccc3[N+](=O)[O-])cn2)cc1 5794935 XUTSNRUXGGOHEV-UHFFFAOYSA-N 334.355 3.136 30 50 EGEA N#Cc1cc(C#N)c(SCC2([C@H]3CCCCO3)CCC2)nc1N 952884013 REOCWLQJTVEYEO-CQSZACIVSA-N 328.441 3.239 30 50 EGEA Cc1sc(NC(=O)Cn2nc(C(F)(F)F)cc2C)c(C#N)c1C 369025 HPUMGDRNJOHAPV-UHFFFAOYSA-N 342.346 3.399 30 50 EGEA COc1ccc(/C=C2/COc3c(OC)cc(C)cc3C2=O)cc1O 368788644 WHIXMVPPQIQNBB-JYRVWZFOSA-N 326.348 3.377 30 50 EGEA N#Cc1cccc([C@H]2CN(C(=O)c3ccccc3OC3CC3)CCO2)c1 376995420 XZGAPFZWCGAIKT-HXUWFJFHSA-N 348.402 3.313 30 50 EGEA CCc1cc(C#N)ccc1NC(=O)N(C)CCc1c(C)n[nH]c1C 95524439 RTQSUAIDGHMLIT-UHFFFAOYSA-N 325.416 3.167 30 50 EGEA Oc1ccc2ccccc2c1/C=N/N1CCN(c2ccccn2)CC1 15658714 VLMMPNVCLKLYPE-PXLXIMEGSA-N 332.407 3.097 30 50 EGEA COc1ccccc1/N=C1/SCC(=O)N1c1ccccc1OC 15987800 KKOMQAZHAUIUQO-ISLYRVAYSA-N 328.393 3.471 30 50 EGEA C=CCN1C(=O)/C(=C/c2c(F)cccc2Cl)C(C(=O)OC)=C1C 4525731 BPNMUSFQALQMEK-FMIVXFBMSA-N 335.762 3.338 30 50 EGEA C#CCCC1(CCC(=O)NCc2cc(Cl)c3c(c2)OCCO3)N=N1 952883403 ZIZXLNAIPVAASS-UHFFFAOYSA-N 347.802 3.083 30 50 EGEA COC1(OC)CC2(CN(c3ccc(C#N)cn3)[C@H]2c2ccccc2)C1 952994622 RROFDLRKVZUAHS-SFHVURJKSA-N 335.407 3.284 30 50 EGEA COc1ccc([C@@H]2CC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 353881 JKKRIPGPWQBCTA-AWEZNQCLSA-N 343.423 3.293 30 50 EGEA CCOC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)/C=C/N(C)C 6349996 HZNINJSNPLWUSB-GWJCSSMESA-N 344.238 3.360 30 50 EGEA Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NC(=O)OC(C)(C)C)n1 169969102 WTEPUXGTXHAWBG-UHFFFAOYSA-N 334.225 3.036 30 50 EGEA C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(O)c1 2896311 GTVBBDCSVVVQSH-GOSISDBHSA-N 339.391 3.089 30 50 EGEA CCCCCCCCCC[C@@H](C(=O)O)[C@@]1(C(=O)O)CCC(=O)O1 67957230 TUXHHVJPGQUPCF-SUMWQHHRSA-N 328.405 3.378 30 50 EGEA biogenic,in-vitro C[C@H](OC[C@H]1CCCO1)C(=O)[C@H](C#N)c1nc2ccccc2s1 252497895 HGCCJUWXCFPTAZ-XQQFMLRXSA-N 330.409 3.057 30 50 EGEA Cc1nc(N)sc1-c1cc(-c2ccccc2F)c(C#N)c(N)n1 71405733 CHRLVVYFGSNDQG-UHFFFAOYSA-N 325.372 3.356 30 50 EGEA O=C(O)c1ccc(C=Nn2c(S)nnc2C2CCCCC2)cc1 244852587 UVEZPFRCKIJTKH-UHFFFAOYSA-N 330.413 3.195 30 50 EGEA C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C)O 28643006 YLRFCQOZQXIBAB-HAXSJCRZSA-N 336.447 3.332 30 50 EGEA biogenic,in-vitro CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)C2=C(CCCC2=O)N1 100434514 ZGYZPDAJCODHDO-KRWDZBQOSA-N 326.396 3.001 30 50 EGEA C=C(C)COc1c(CNC[C@H](O)c2ccccc2)cccc1OC 55242698 DSURMTJANOILBR-SFHVURJKSA-N 327.424 3.473 30 50 EGEA COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1[N+](=O)[O-] 171330384 IJIJHQMSDHWEIC-NSHDSACASA-N 337.291 3.235 30 50 EGEA COc1ccccc1[C@@H]1CC[C@@H](C)CN1S(=O)(=O)CCCC#N 285427096 WGGYQSZKLLTNFR-ZBFHGGJFSA-N 336.457 3.102 30 50 EGEA Cc1cc(Cl)c2ncc(C#N)c(N[C@H]3CCc4ncnn4C3)c2c1 225777918 TZTLSKLHGKFXTB-LBPRGKRZSA-N 338.802 3.087 30 50 EGEA C=C(C)C[C@H](C)C(=O)N[C@H](c1cccc(OC)c1)c1nccn1C 375130115 YLVSJUZCSPMKET-WMLDXEAASA-N 327.428 3.237 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cccs1 379110 CGIFCPGGCIKYJJ-OAHLLOKOSA-N 337.400 3.490 30 50 EGEA N#Cc1cccc(CNC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c1 119153834 IWAMSPNJHWQQOJ-OALUTQOASA-N 335.407 3.278 30 50 EGEA CN1CC[C@@H](C/N=C(/O)COc2ccccc2)[C@@H]1c1cccnc1 328645946 ZVTCSLDSDQYAIK-LPHOPBHVSA-N 325.412 3.110 30 50 EGEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/C(O)=N/[C@@H](C)c1cccnc1 328613267 RKCWNCXWURRAPG-KCTSRDHCSA-N 328.416 3.227 30 50 EGEA C[C@](C#N)(CCc1ccccc1)NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 156592961 BCXICADPGLTBHQ-PGGWPXBNSA-N 338.451 3.413 30 50 EGEA CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(F)c(C#N)c1 284003786 UVCWQEKBGRDBIE-UHFFFAOYSA-N 342.370 3.377 30 50 EGEA C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C 257345537 AIPVEEYYOOGTAW-BCFZLBOMSA-N 332.484 3.486 30 50 EGEA Cc1c(C(=O)O/N=C(\N)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 5073182 WCORIIXIQWZVDI-UHFFFAOYSA-N 333.731 3.034 30 50 EGEA Cc1ccccc1NC1=C(N2CCOCC2)C(=O)c2ccccc2C1=O 4140281 SAMGDIXQYSZAJA-UHFFFAOYSA-N 348.402 3.030 30 50 EGEA C#CCCC1(CCNC(=O)c2cc(-c3cc(F)ccc3F)on2)N=N1 1875381421 USAHAJRHVNJJOD-UHFFFAOYSA-N 344.321 3.315 30 50 EGEA CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F 52269 ZJYGFKZXBKEAHE-KRWDZBQOSA-N 325.339 3.310 30 50 EGEA C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1C1CCOCC1 2325810472 MNTYCQWZTFDMFL-BEFAXECRSA-N 342.439 3.133 30 50 EGEA N#Cc1ccc(C(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)CC2)cn1 65395283 DVIUYNDCILBLES-OAQYLSRUSA-N 345.402 3.424 30 50 EGEA C[C@@H](/N=C(/O)c1cc(N(C)C)nc2ccccc12)c1csnn1 328597714 IUUWNXXZBLFDIH-SNVBAGLBSA-N 327.413 3.218 30 50 EGEA Cc1noc([C@H](/N=C(/O)COC2CCCCC2)C2CCOCC2)n1 328613187 RBBMBTWTRLHBCR-MRXNPFEDSA-N 337.420 3.152 30 50 EGEA N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)c1 1857682454 QCGQFEJARNNSDP-VWPQPMDRSA-N 346.430 3.157 30 50 EGEA CC[C@@](C)(/N=C(/O)N=c1ccc(C2CC2)n[nH]1)c1nc(C)cs1 330070137 WVHNUFRSSVIRSM-MRXNPFEDSA-N 331.445 3.192 30 50 EGEA CCc1nc2ccccc2n1[C@H]1CCCN(c2cc(C#N)ncn2)C1 952877092 LPPAVDRJRNDXHS-HNNXBMFYSA-N 332.411 3.102 30 50 EGEA C#CCCC1(CCC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccccc2)N=N1 2325899911 DLBPDZMTLVKOIY-IEBWSBKVSA-N 338.455 3.151 30 50 EGEA Cn1c(-c2cccc(O)c2)cs/c1=N/N=C/c1ccccc1C=O 333034 PZCZBTPHARMDFB-GQVLRKDXSA-N 337.404 3.207 30 50 EGEA CCn1cc([C@@H]2N=C(O)CC[C@H]2Nc2ncc(C#N)cc2Cl)cn1 328628759 OBFZLODCNVHBGB-HIFRSBDPSA-N 344.806 3.095 30 50 EGEA C=CCN1CC[C@@H](Nc2cccc(NC(=O)c3ccccc3)c2C)C1=O 253419963 NYQJBEUVMGKQHJ-LJQANCHMSA-N 349.434 3.446 30 50 EGEA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1cccc2ccccc12 245380748 KCWQNWPQOBZSRR-CJAQALHFSA-N 342.398 3.227 30 50 EGEA N#CCSCC(=O)Nc1c(Cl)cc(F)cc1Br 193616154 SOBYUONKCUHKGD-UHFFFAOYSA-N 337.601 3.437 30 50 EGEA Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/[C@H]1CCOC1 328602091 ABPWZYYILKUEHB-MPGHIAIKSA-N 341.411 3.004 30 50 EGEA CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccccc1F 17838268 CUSUMEOSPXIFFB-INIZCTEOSA-N 327.311 3.020 30 50 EGEA CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(C(C)C)cc1 96617 NYGOHHRVPKTXKW-FUHWJXTLSA-N 343.423 3.273 30 50 EGEA C[C@H](OC[C@H]1CCCO1)C(=O)[C@@H](C#N)c1nc2ccccc2s1 229579084 HGCCJUWXCFPTAZ-YNEHKIRRSA-N 330.409 3.057 30 50 EGEA CC1(C)OB(c2cccc(C(=O)c3ccc(F)cc3)c2)OC1(C)C 170007405 LVRDUXQSWWYPBW-UHFFFAOYSA-N 326.176 3.356 30 50 EGEA Cc1cc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c(C#N)c(C)n1 328626105 LJBDHPARRXWGMF-PXNSSMCTSA-N 335.455 3.094 30 50 EGEA N#Cc1ccc(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 304012018 VHLNRDIBNGAXPI-IBGZPJMESA-N 338.382 3.283 30 50 EGEA N#Cc1ccnc(N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)c1 212210210 KQOVFFSCRMBRHM-UXHICEINSA-N 329.403 3.461 30 50 EGEA O=C(C#C[C@@H]1CCCOC1)NCCCCc1ccc(Cl)s1 1775994351 AONROLAHLXCRFU-ZDUSSCGKSA-N 325.861 3.270 30 50 EGEA COc1ccc(C)nc1N=C(O)N1CCCCC[C@@H]1c1noc(C)n1 328587449 USVQMGZLWYCUBG-CYBMUJFWSA-N 345.403 3.253 30 50 EGEA COc1cc(OC)c(C(=O)/C=C/c2ccc(O)c(OC)c2)c(OC)c1 4252615 BAHHZVVNFAOLAZ-SOFGYWHQSA-N 344.363 3.323 30 50 EGEA O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1ccc(O)c(F)c1 863947693 VZDJAFZACDJCBH-UHFFFAOYSA-N 337.166 3.094 30 50 EGEA COc1ccc(OC)c([C@@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)c1 1422960 XKHONPFXXNRICD-ZDUSSCGKSA-N 330.380 3.378 30 50 EGEA C#CCCC1(CCNC(=O)C[C@H](c2ccccc2)c2ncc[nH]2)N=N1 2325891416 FGTVNGBQMODIEL-MRXNPFEDSA-N 335.411 3.014 30 50 EGEA CCn1nc(C)c(-c2cc(-c3cccc(O)c3)c(C#N)c(N)n2)c1C 71405772 UHNNHLHORYXGCQ-UHFFFAOYSA-N 333.395 3.408 30 50 EGEA Cc1csc(CNC(=O)CC2=C(c3ccccc3)CCC2=O)n1 584893212 TUOTXDSHZQWVSS-UHFFFAOYSA-N 326.421 3.275 30 50 EGEA O=[N+]([O-])c1cc2c(cc1/C=N/Nc1cccc3cccnc13)OCO2 5008854 FYPOYFYBLQWHIS-DJKKODMXSA-N 336.307 3.318 30 50 EGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(OC)c1 19536080 BMIDJDXRDZJFRM-SFHVURJKSA-N 341.407 3.226 30 50 EGEA Cc1c(C#N)sc2nc(-c3ccccc3)nc(N3CCOCC3)c12 49514 KUOGGIYPIJQDBQ-UHFFFAOYSA-N 336.420 3.375 30 50 EGEA N/C(=N\OC(=O)CC(c1ccccc1)c1ccccc1)c1ccncc1 4570766 OXXUALQFUUIEAW-UHFFFAOYSA-N 345.402 3.467 30 50 EGEA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3=CC(=O)[C@]12C 254819994 QOBSXMNUZVHPQI-DNTFTJGDSA-N 344.451 3.487 30 50 EGEA C#CCN1C(=O)S/C(=C/c2cccn2-c2ccc(F)cc2)C1=O 12342701 HTHYOHYXNVZMMT-RVDMUPIBSA-N 326.352 3.286 30 50 EGEA C=C(C)COc1ccccc1C(=O)NC[C@@H](C)Oc1cccnc1 55358780 QRYBGOAQIMOMQY-OAHLLOKOSA-N 326.396 3.234 30 50 EGEA CN1CC[C@@H](C/N=C(/O)CC2(O)CCCCC2)[C@@H]1c1cccnc1 328625773 LAGRHURTEQYXHT-WMZOPIPTSA-N 331.460 3.116 30 50 EGEA C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 257345539 AIPVEEYYOOGTAW-UMMICYICSA-N 332.484 3.486 30 50 EGEA CCOc1cccc(NC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@@H]4O[C@H]4[C@@H]23)c1 254300353 TTWBJLXTVXWETO-SJOOKJJESA-N 329.396 3.446 30 50 EGEA C=CCNC(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 11996820 MSLPLGOMFJQOMY-UHFFFAOYSA-N 339.439 3.045 30 50 EGEA C#CCCC1(CCC(=O)N2CC(F)(c3ccc(F)c(OC)c3)C2)N=N1 1875382066 PMYCUQJHVZLMSY-UHFFFAOYSA-N 347.365 3.197 30 50 EGEA Cc1cc(CCNC(=O)[C@@H]2CCCCN2C2CCCC2)ccc1C#N 1875340599 JUXZLQYKLCXPAE-FQEVSTJZSA-N 339.483 3.323 30 50 EGEA C=CCN(Cc1ccccc1OC)C(=O)c1cnn(CCC)c1C 55153496 ZWSOXWXTTZARBC-UHFFFAOYSA-N 327.428 3.439 30 50 EGEA C[C@H](C#N)Oc1ccc(CN2CCC(=O)Nc3cc(F)ccc32)cc1 378132177 PTASCVKBKVDPAS-CYBMUJFWSA-N 339.370 3.465 30 50 EGEA CCOc1cc2c(cc1/C=N/Nc1oc(C)nc1C#N)O[C@@H](C)C2 170640953 WPYNILHOXGBIAT-XPAGJJBOSA-N 326.356 3.023 30 50 EGEA COc1cc(O)c(C(=O)/C=C/c2ccc(OC)c(O)c2)c(OC)c1 4100763 WMOWJHFPSNZXSK-GQCTYLIASA-N 330.336 3.020 30 50 EGEA in-vitro Cc1ccc(NC(=O)C[C@H]2CC3=C(CCCC3=O)NC2=O)cc1Cl 1740818286 YUXIBPHERWRLDD-LLVKDONJSA-N 346.814 3.120 30 50 EGEA C=CC[C@@]1(NC(=O)c2cc3cc(C(=O)O)sc3s2)CCOC1 1875315830 JIHHUQLXMPFHEA-OAHLLOKOSA-N 337.422 3.126 30 50 EGEA CCCCc1cc(=O)oc2cc(C)c(C(=O)/C=C/N(C)C)c(O)c12 2084329485 PWDCEPVJCBXYAQ-CMDGGOBGSA-N 329.396 3.408 30 50 EGEA COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(C)c1 96514 PXBYRRYSEDTGFD-HNNXBMFYSA-N 341.407 3.095 30 50 EGEA N#Cc1cccc([C@H]2CN(Cc3ccc(Br)o3)CCO2)c1 372811809 KWJCYCFZRLEBCZ-OAHLLOKOSA-N 347.212 3.487 30 50 EGEA C=CCc1cc(C(=O)N2CCCC[C@H]2CCC(=O)O)ccc1OC 426589070 QKFNGRGHAKIZLH-INIZCTEOSA-N 331.412 3.283 30 50 EGEA CCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C#N)c2ccccc12 170652036 AELAPTBHIVKOLU-XJKSGUPXSA-N 344.436 3.209 30 50 EGEA CSc1c(F)cc(NC(=O)Nc2ccn(CCC#N)n2)cc1F 170605388 QPKDNQZSRUPRCS-UHFFFAOYSA-N 337.355 3.441 30 50 EGEA Cc1ccc(CN2CCN(/N=C\c3cccc([N+](=O)[O-])c3)CC2)cc1 19773061 LVTSHKAPFSMDRC-ZHZULCJRSA-N 338.411 3.055 30 50 EGEA C=CCN1CCC[C@H]1C(=O)Nc1ccc(NC(=O)CCC)c(OC)c1 55282644 SSLODGIAIZVKIS-INIZCTEOSA-N 345.443 3.023 30 50 EGEA CC[C@@H](/N=C(/O)N1CCC(c2cnc[nH]2)CC1)c1c(C)noc1C 328586467 NNDNUNKFSQNTPH-CQSZACIVSA-N 331.420 3.259 30 50 EGEA CCC1=C[C@@H]2C(=O)C(c3ccc(F)cc3)=CO[C@@H]2C(CN(C)C)=C1O 22258464 XKWDSTQZFSKVBP-QRWLVFNGSA-N 343.398 3.474 30 50 EGEA Cc1nn(C(C)(C)C)cc1C(O)=Nc1cccc2c(=O)n(C)ccc12 328662920 XQAMSPFPMLHCCU-UHFFFAOYSA-N 338.411 3.435 30 50 EGEA C[C@H](O)c1nc2cc(-n3ccnc3-c3cccc(C#N)c3)ccc2n1C 1772812954 RXIQFFWUGTVJHF-ZDUSSCGKSA-N 343.390 3.351 30 50 EGEA N#Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 1390009 IYQZPUREBQWJED-UHFFFAOYSA-N 325.799 3.174 30 50 EGEA C=CCN(CC=C)C(=O)C1CCC(C(=O)N(CC=C)CC=C)CC1 38142705 LUANGBZEIUHEOZ-UHFFFAOYSA-N 330.472 3.194 30 50 EGEA C=CCn1c([C@H]2c3nc[nH]c3CCN2CC2CC2)nc2ccccc21 72433936 PJRHXZJSOKBSPP-LJQANCHMSA-N 333.439 3.303 30 50 EGEA N#Cc1ccc(N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)nc1 128195579 QEKJRCFBJQVOPI-LSDHHAIUSA-N 333.313 3.284 30 50 EGEA Cc1ccc(S(=O)(=O)O[C@H]2[C@@H]3[C@H]4S[C@@H]5[C@@H]6CC[C@@H]([C@H]3[C@H]46)[C@H]25)cc1 247996637 BNRVSUWIRICMPT-IIKMSOMESA-N 348.489 3.085 30 50 EGEA Cc1nc2n(/N=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3n2c1C#N 445024 RNHQTNJXCDCRPD-RGVLZGJSSA-N 344.334 3.260 30 50 EGEA C[C@@H](O)c1nc2cc(-n3ccnc3-c3cccc(C#N)c3)ccc2n1C 1772812952 RXIQFFWUGTVJHF-CYBMUJFWSA-N 343.390 3.351 30 50 EGEA Cc1cc(Br)c2nc[nH]c(=NCCC(C)(C)C#N)c2c1 1875325915 FXKIGRPTSVCPFF-UHFFFAOYSA-N 333.233 3.474 30 50 EGEA N#Cc1ccc(-c2ccc(OC(=O)CCCn3cncn3)cc2)cc1 2325728422 KUFHIAIZPAJXPP-UHFFFAOYSA-N 332.363 3.203 30 50 EGEA N#Cc1cccnc1N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 67541014 CRROJHHVDPFORL-LJQANCHMSA-N 343.377 3.053 30 50 EGEA CNC(=O)O[C@@H]1C=CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O1 33815020 WAFJSVJRYUCSTB-ICSRJNTNSA-N 337.375 3.406 30 50 EGEA CC(C)(C)S(=O)(=O)/C(C#N)=N/Nc1ccc(C(F)(F)F)cc1 3047651 CWCWITCRSMRUTD-YBFXNURJSA-N 333.335 3.168 30 50 EGEA N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cccc4c3CCCC4)C2)nc1 295286197 IYDYDBISEIMJLK-QGZVFWFLSA-N 347.418 3.126 30 50 EGEA Cc1ccc(NC(=O)N(Cc2c(C)nn(C)c2C)C2CC2)cc1C#N 299801117 YFLYOBOXPAUFIP-UHFFFAOYSA-N 337.427 3.414 30 50 EGEA C=CCOc1cc(Cl)c(CN2C[C@@H]3CC[C@H](C2)[C@@H]3N)cc1OC 820491554 LERKDDRSTVTWHH-MCBXIFIFSA-N 336.863 3.083 30 50 EGEA N#Cc1nc(NC(=O)Cc2cc3c(ccc4ccccc43)o2)[nH]c1C#N 156232492 XIHDKQAJUSUJPW-UHFFFAOYSA-N 341.330 3.234 30 50 EGEA COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2sccc2C#N)c1 190890970 YJFMYJSULPWRCJ-GXTWGEPZSA-N 328.393 3.379 30 50 EGEA O/C(COc1ccc2ccccc2c1Br)=N\c1ncn[nH]1 18221775 VXWRIMGZAXPBQV-UHFFFAOYSA-N 347.172 3.387 30 50 EGEA Cc1c(CN2CCN(Cc3cccc(Cl)c3)CC2)cc(C#N)n1C 72166273 JKRLZXMBSSDOJO-UHFFFAOYSA-N 342.874 3.176 30 50 EGEA N#C[C@H](C(=O)c1cnn2c1CCCC2)c1nc(-c2ccncc2)cs1 125668008 RLUNRIXATYNUNH-CYBMUJFWSA-N 349.419 3.228 30 50 EGEA CC(C)(C)OC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169743564 CUDCEJRRWNIPDL-UHFFFAOYSA-N 333.237 3.011 30 50 EGEA in-vitro NC(=S)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4229913 XGMAXQCGMWPWDM-CIAFOILYSA-N 349.415 3.226 30 50 EGEA Cc1ccc(CC[C@H](C)/N=C(/O)N2CCCC23CCN(C)CC3)o1 328586835 SBMYMSIQNWXKGM-HNNXBMFYSA-N 333.476 3.383 30 50 EGEA Oc1ccc(N2CCN(/C(S)=N\CCc3ccccc3)CC2)cc1 13483218 UYRKTXJAOGZAQE-UHFFFAOYSA-N 341.480 3.043 30 50 EGEA CC1(C)OCc2cc(C#N)c(N3C[C@@]45CCCC[C@]4(COC5)C3)nc21 2325775422 GHJAMHGPSFIPGF-WOJBJXKFSA-N 339.439 3.116 30 50 EGEA C#CCCC1(CCNC(=O)[C@H]2CC(C)(C)Oc3ccccc32)N=N1 2325891592 PLUKXQJAJPPPOJ-HNNXBMFYSA-N 325.412 3.413 30 50 EGEA C=CCn1ncc(CN(Cc2ccc(F)cc2)[C@@H](CC)CO)c1C 55199416 AJBZLXDWTNEGET-IBGZPJMESA-N 331.435 3.290 30 50 EGEA N#Cc1ccncc1C(=O)N1CCC(Cc2cc(F)ccc2F)CC1 456835386 ZUAIQJLGBZCKEV-UHFFFAOYSA-N 341.361 3.326 30 50 EGEA Cc1nc(C#N)c(N2CCC(c3nc(-c4cccs4)no3)CC2)o1 193144819 YDCPFYRVIOQHNL-UHFFFAOYSA-N 341.396 3.350 30 50 EGEA CC(=O)N1CC[C@H](/C(O)=N/[C@@H]2CCCc3cn(C4CCCC4)nc32)C1 329314546 HAJYNANXYXNMST-DOTOQJQBSA-N 344.459 3.201 30 50 EGEA CC(C)(C)OC(=O)N1C[C@H]2CC/C(=N\N=c3cc[nH]cc3F)C[C@@H]2C1 1875267450 GRHFIPXKRRZOIW-FWWDCTDVSA-N 348.422 3.078 30 50 EGEA N#Cc1cnn2c(O)cc(CN3CCCCCc4ccccc4C3)nc12 2325873705 QNAUVOOBEBOZAB-UHFFFAOYSA-N 347.422 3.035 30 50 EGEA CCOc1cc(/C=N/n2c(CC)n[nH]c2=S)cc(Cl)c1O 6519858 FBVARRJFERGZJQ-VIZOYTHASA-N 326.809 3.143 30 50 EGEA CO[C@@](F)(C(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F 3672551 ZVXXVBLYLXPRQP-VIFPVBQESA-N 335.175 3.398 30 50 EGEA COc1cccnc1N=C(O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 328594691 SDCIGDFEVDMZOR-BLLLJJGKSA-N 345.374 3.237 30 50 EGEA N#CC1(c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@H]3O)cc2)CC1 253623522 YARWZKPHFHRKLL-IPMKNSEASA-N 338.451 3.397 30 50 EGEA C[C@@H]1CN(Cc2ccccc2CNCc2ccc(C#N)o2)C[C@@H](C)O1 237411773 ZCUYLSSYPBLUHD-HZPDHXFCSA-N 339.439 3.050 30 50 EGEA Cc1nc(-c2cc(C#N)cn2C)n(-c2ccc3nc(C)sc3c2)n1 96131738 LHUZOHRAQYDMSK-UHFFFAOYSA-N 334.408 3.371 30 50 EGEA C=CCn1c(Sc2cc(C#N)ncn2)nnc1-c1ccc(C)cc1 408514505 FVPVUFQXKPTGSU-UHFFFAOYSA-N 334.408 3.252 30 50 EGEA Cc1cccc(/C=N/N=C2\NC(=O)[C@H](Cc3ccccc3C)S2)c1 4159401 CDLALEXHSZYITE-RONKMWSCSA-N 337.448 3.468 30 50 EGEA COc1cc(CN2C[C@@H](O)C[C@H]2c2ccc(F)cc2)ccc1C#N 343334423 GSLNWCBWDBEBOB-ROUUACIJSA-N 326.371 3.014 30 50 EGEA N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@](F)(CO)C1 376413505 KKUJDLNUQMSWOL-FQEVSTJZSA-N 338.382 3.162 30 50 EGEA C=CCC(F)(F)C(=O)N1CCC[C@@H]1CSc1nnc(C)s1 1775999691 USXALFCMQWHEEY-SNVBAGLBSA-N 333.429 3.141 30 50 EGEA N#Cc1cccc(CNc2ccc(C(=O)NCC(F)(F)F)cc2)c1 178255072 UIJATZKXWMTQHH-UHFFFAOYSA-N 333.313 3.462 30 50 EGEA N#C[C@]1(NC(=O)[C@@H]2CCOc3ccccc32)CCc2ccccc2C1 183976435 UFGIMVFNZFCUJW-NQIIRXRSSA-N 332.403 3.120 30 50 EGEA CC(C)C[C@]1(CO)CCCN1C(O)=Nc1ccc(OC(F)F)nc1 330423684 FGYVLFSYTODCSI-INIZCTEOSA-N 343.374 3.102 30 50 EGEA Cc1cc(S[C@H](C)C(=O)Nc2sc(C)c(C)c2C#N)ncn1 12000665 CDOKYDVZPADWBM-LLVKDONJSA-N 332.454 3.454 30 50 EGEA C#Cc1cccc(OCC(=O)N[C@H](C)C(=O)c2ccc(Cl)cc2)c1 2325853476 QMDUZEMGMDDFGS-CYBMUJFWSA-N 341.794 3.088 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)o1 194908 NUNWMAFEZAJIBX-QGZVFWFLSA-N 329.396 3.365 30 50 EGEA CN1CCC[C@@H](C/N=C(/N)NC2CCCCC2)[C@H]1c1cccs1 252486424 JYOLFIDLWONDII-YOEHRIQHSA-N 334.533 3.368 30 50 EGEA Cc1cc(C)n(-c2cc(N/N=C\c3ccc(N(C)C)cc3)nc(C)n2)n1 32492053 IEKNHDAPMDTVBM-NDENLUEZSA-N 349.442 3.100 30 50 EGEA N#Cc1c(F)cccc1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 370389434 QMJPBQOPKVEZLN-IBGZPJMESA-N 338.382 3.283 30 50 EGEA N#CCOc1c(Br)cc([N+](=O)[O-])cc1Br 50441358 KNKHMLWAWGGBHX-UHFFFAOYSA-N 335.939 3.022 30 50 EGEA in-vitro C=CCn1cc(CN[C@@H]2CCCN(Cc3cccs3)C2)c(C)n1 952870319 VXDZOVDOVCJEEO-QGZVFWFLSA-N 330.501 3.193 30 50 EGEA Cc1cc(N2CCC[C@@H]2C[C@H](C)O)n2c(nc3ccccc32)c1C#N 301782402 SYLLAAKIILYGBE-LSDHHAIUSA-N 334.423 3.407 30 50 EGEA COC(=O)c1cccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1 169745849 WHJJVEIJHJEWDK-UHFFFAOYSA-N 338.212 3.439 30 50 EGEA in-vitro C#CCOc1ccccc1NC(=O)N1CC[C@@H](CN2CCCCC2)C1 188879647 JGCNJQBMUONCRX-KRWDZBQOSA-N 341.455 3.038 30 50 EGEA N#Cc1ccc(N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)nc1 1857709444 YAWKGAIFHBKLDM-RTBURBONSA-N 349.434 3.205 30 50 EGEA O=C(/C=C/c1ccc(N2CCC(O)CC2)cc1)c1ccc2c(c1)CCO2 864087310 RZVARTHKJIOSGS-XVNBXDOJSA-N 349.430 3.479 30 50 EGEA C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc2ccc3scnc3c2s1 888297506 GELMADBZRNZGOB-SCZZXKLOSA-N 331.422 3.436 30 50 EGEA CC[C@@H](CO)N(Cc1ccc(F)cc1)Cc1cc(C#CCO)cs1 55166106 CXAIGJBCWBZCGQ-SFHVURJKSA-N 347.455 3.004 30 50 EGEA CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)c1ccccc1C#N 55281625 OPNDUNDARCPYSD-UHFFFAOYSA-N 332.407 3.448 30 50 EGEA C=CCN1C(=O)[C@]2(NCCc3c2[nH]c2ccccc32)c2ccccc21 20064198 RWYJOGFEAKHHNP-NRFANRHFSA-N 329.403 3.090 30 50 EGEA biogenic CC(C)(C)[C@H]1CN(C(=O)C2CCC(/N=C(/O)C3CC3)CC2)CCO1 330095230 VCSIMNDVPBKGGO-UYSNPLJNSA-N 336.476 3.185 30 50 EGEA C[C@@H](O)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 191850954 KZUCTKGGHDOVFG-WBMJQRKESA-N 343.814 3.498 30 50 EGEA COc1cccc(/C(C)=N/NS(=O)(=O)c2ccc(Cl)cc2)c1 5093276 IISDMATZIQMTLY-GZTJUZNOSA-N 338.816 3.051 30 50 EGEA C=CCc1cccc2cc(C(=O)Nc3ccc(C(=O)O)cc3)c(=O)oc12 296482 HLXWYFISPLDTFI-UHFFFAOYSA-N 349.342 3.472 30 50 EGEA biogenic COc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1OC 390237 YGGXAOJWSUCASV-UHFFFAOYSA-N 345.362 3.045 30 50 EGEA N#Cc1cccc(N2C[C@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)n1 230185773 RJIGVWPTGKEXFQ-CABCVRRESA-N 333.313 3.284 30 50 EGEA CC(O)=Nc1ccc(NC(=O)CN2CCSC[C@H]2C2CC2)cc1 328598744 OHIQYWVKVXNJLR-INIZCTEOSA-N 333.457 3.060 30 50 EGEA Cc1cccc(/C(N)=N/OC(=O)COc2ccc(Cl)cc2C)c1 5013966 VGDRKCNKUQBGPU-UHFFFAOYSA-N 332.787 3.199 30 50 EGEA COC(=O)C1=C(C)N/C(=C/c2ccccc2OCc2ccccc2)C1=O 4094866 IFDGTVCVISANEB-SFQUDFHCSA-N 349.386 3.226 30 50 EGEA N#C[C@H](NC(=O)c1ncncc1Cl)c1ccccc1C(F)(F)F 1857531290 DSNVQAMUOVZRFL-NSHDSACASA-N 340.692 3.143 30 50 EGEA O/C(=N/Cc1cc(Cl)sc1Cl)[C@@H]1CCc2nn[nH]c2C1 328960846 KMCXJPORVQCJCD-ZCFIWIBFSA-N 331.228 3.435 30 50 EGEA C#CCCC1(CCC(=O)N2CC[C@@H]3C[C@@H](CC(=O)O)CC[C@@H]3C2)N=N1 2325901013 QLFIPQKMQCJJIA-ARFHVFGLSA-N 345.443 3.082 30 50 EGEA C=CCc1ccccc1OCCCN1CCC(C(=O)OCC)CC1 6702637 DVKFFOMKJJEGAL-UHFFFAOYSA-N 331.456 3.459 30 50 EGEA CCOC(=O)/C(C(=O)c1ccccc1)=C(/N)C(Cl)(Cl)Cl 100986609 PECCKOOEPGEWCV-PKNBQFBNSA-N 336.602 3.015 30 50 EGEA CC(C)[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)c1cccnc1 119434845 WFFWTZZHIDUCDA-CQSZACIVSA-N 329.350 3.401 30 50 EGEA CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1ccc(Cl)cc1C#N 285004159 YIHYTCZKARVUDO-OKZBNKHCSA-N 334.847 3.228 30 50 EGEA N#CCC[C@H](C#N)CN1CCN(c2cccc(Br)c2)CC1 284723696 JOIJAJDQXUILHX-CQSZACIVSA-N 347.260 3.015 30 50 EGEA NS(=O)(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1 96068499 ZBUILKZAUXTOSA-REZTVBANSA-N 345.207 3.097 30 50 EGEA Cc1nnc([C@@H]2CC23CCN(c2c(F)cc(C#N)cc2F)CC3)o1 363516475 VDBAWSQWSGASEH-LBPRGKRZSA-N 330.338 3.302 30 50 EGEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(O)c1 2055173 QNYOXXKUNYKWJS-SFHVURJKSA-N 341.407 3.313 30 50 EGEA CC1=C[C@@H](c2ccccc2)N2N=C(/N=C(\O)c3ccccc3)NC2=N1 4844703 KFEBYWRIZAWKMJ-INIZCTEOSA-N 331.379 3.182 30 50 EGEA N#Cc1cccc(Oc2ccc(CN3CCOCC3)c3cccnc23)n1 67587167 ODPJDXWOCZNVAH-UHFFFAOYSA-N 346.390 3.126 30 50 EGEA COc1cccc([C@H]2C[C@@H](O)CN2c2c(F)cc(C#N)cc2F)c1 283340968 AZRAWXKXAXITNI-CXAGYDPISA-N 330.334 3.157 30 50 EGEA COC1=CC=C/C(=C/C=C2/N(CCO)c3ccccc3C2(C)C)C1=O 136450247 SQLVYYUCCFIXPO-CTGWRUSHSA-N 337.419 3.256 30 50 EGEA CN(C)Cc1csc(-c2cc(-c3cccnc3)c(C#N)c(N)n2)c1 71776008 GMEDFGFURPDYBL-UHFFFAOYSA-N 335.436 3.388 30 50 EGEA N#Cc1nccc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 408522086 CPTDEICEGPWURX-LBPRGKRZSA-N 325.441 3.068 30 50 EGEA C=CCNC(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2C)C1 12298433 SOVPDZPBBRWHIP-SFHVURJKSA-N 329.488 3.077 30 50 EGEA C#Cc1cccc(NC(=O)c2ccc(N3CC[C@H]([C@H](C)O)C3)cc2)c1 1875318335 GAZSNWFEAIGVSJ-YJBOKZPZSA-N 334.419 3.127 30 50 EGEA N#Cc1nc(C2CCC2)oc1N1CCN(c2ccccc2F)CC1 1857798626 SCPVIOOUIXTXPO-UHFFFAOYSA-N 326.375 3.279 30 50 EGEA C#CCCC1(CCC(=O)N(C)Cc2ncc(-c3ccccc3)[nH]2)N=N1 2325892627 URANWFPLOLAMJO-UHFFFAOYSA-N 335.411 3.391 30 50 EGEA C#CCCC1(CCC(=O)N[C@H](Cc2ccccn2)c2cccnc2)N=N1 2325899961 GIYDZJRGYAKEIV-GOSISDBHSA-N 347.422 3.232 30 50 EGEA N#Cc1ccc(Cc2cnc(NC(=O)c3n[nH]c4c3CCC4)s2)cc1 131861316 SJIVKAVFBGQIMX-UHFFFAOYSA-N 349.419 3.070 30 50 EGEA C=CCC(C)(C)CN1CCN(c2nnc(C(F)(F)F)s2)CC1 67458980 ZBWCYCFLNHTHQY-UHFFFAOYSA-N 334.411 3.281 30 50 EGEA C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3cnn(C)c3)c2C#N)C1 375836 BPFOCGKULYXCBI-DUMNWFOQSA-N 326.425 3.130 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 19300853 QVQKQVCVNNTYJF-QGZVFWFLSA-N 325.408 3.464 30 50 EGEA Cc1nnc([C@H]2CC23CCN(c2c(F)cc(C#N)cc2F)CC3)o1 363516474 VDBAWSQWSGASEH-GFCCVEGCSA-N 330.338 3.302 30 50 EGEA N#C[C@H](CO)Cc1cc(-c2ccc([C@H]3CCC(=O)N3)cc2)ccc1F 904833558 PCTIEOKRMUNMAF-BFUOFWGJSA-N 338.382 3.118 30 50 EGEA CCC/C(=N\OCC)[C@@H]1C(=O)CC(C)(C)[C@@H](c2cc(C)no2)C1=O 102909764 PRMMBWKGPFIKKP-QZZQKYANSA-N 334.416 3.444 30 50 EGEA CC1(C)OB(c2cc(O)cc(-c3ccc(C(=O)O)cc3)c2)OC1(C)C 170008617 ROEUDGVMTTUJGR-UHFFFAOYSA-N 340.184 3.057 30 50 EGEA C[C@H]1COCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 371323504 OJJDHSBYHWXOJL-OAHLLOKOSA-N 335.407 3.410 30 50 EGEA O=C(CC1=C(c2ccccc2)CCC1=O)NCc1cnc2c(c1)CCC2 426548729 DGMVVQQLVQJBRS-UHFFFAOYSA-N 346.430 3.393 30 50 EGEA C=CCC1(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)CCC1 190349955 WMZHXIHOKXJNTN-UHFFFAOYSA-N 331.431 3.468 30 50 EGEA CC[C@@H]1S/C(=N/N=C(/C)c2ccc(Br)cc2)NC1=O 5061371 CSCSIQBUYKBJIC-FSKGUYTJSA-N 340.246 3.171 30 50 EGEA Cc1cc(=O)oc2cc(N/C(S)=N/Cc3cccnc3)ccc12 13496784 BXNPDQGOQIWUSR-UHFFFAOYSA-N 325.393 3.394 30 50 EGEA CCCC(C)(CCC)C(=O)N[C@H]1CCN(C(=O)[C@]2(C)C[C@@H](C#N)C2)C1 2325843053 RQOVKUHADKJPLZ-FTRWYGJKSA-N 347.503 3.250 30 50 EGEA C[C@H](OC(=O)C[C@@H](NC(N)=O)c1ccccc1)c1ccc(C#N)s1 2325874177 COKGIHBXOOQDJT-SMDDNHRTSA-N 343.408 3.024 30 50 EGEA CCOC(=O)CSc1nc(-c2ccc3c(c2)OCO3)ccc1C#N 523029 VXZJGHPVKBQRGV-UHFFFAOYSA-N 342.376 3.004 30 50 EGEA COc1cc(C)c(NC(=O)COc2ccc(C#N)cc2OC)cc1C 4829072 PRHWWGXZRBRPHH-UHFFFAOYSA-N 340.379 3.210 30 50 EGEA N#CC1(NC(=O)c2n[nH]c3ccc(Br)cc23)CCCCC1 171770260 WYQCBQUVXGTDQO-UHFFFAOYSA-N 347.216 3.282 30 50 EGEA C#CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 36914700 ZXOKSWZUJXKQCQ-NRFANRHFSA-N 349.386 3.392 30 50 EGEA N#C[C@@H]1CN(c2ccnc3ccsc23)C[C@]12C(=O)Nc1ccccc12 253392184 BZSLHAAJZZPWSG-BLVKFPJESA-N 346.415 3.146 30 50 EGEA C[C@H](/N=C(/O)CCc1ccc2c(c1)OCCCO2)C(=O)OC(C)(C)C 328596252 ZAMMEUKHCXRKGU-ZDUSSCGKSA-N 349.427 3.467 30 50 EGEA Cc1nc2c(s1)CCC[C@@H]2CN(C)/C(O)=N/C[C@@H]1CCCCO1 328618059 DIMUSWNVFLFEBS-KGLIPLIRSA-N 337.489 3.286 30 50 EGEA CCn1ccnc1[C@@H]1OCC[C@H]1C(O)=Nc1cccc2c1CCO2 329149356 YUOXABHHGDAQHT-CZUORRHYSA-N 327.384 3.204 30 50 EGEA COc1cc(CN2CCC3(CC2)C[C@H]3c2nnc(C)o2)ccc1C#N 367028137 DTQPTDBUNDKQES-INIZCTEOSA-N 338.411 3.028 30 50 EGEA CN1CCC[C@@H](CNc2cc(Cl)ccc2C#N)[C@@H]1c1ccnn1C 284533369 DLLOIXJEBJIERC-KBXCAEBGSA-N 343.862 3.440 30 50 EGEA N#Cc1ccc(C2=CCN(S(=O)(=O)c3sccc3F)CC2)cc1 338939526 FEVSLDWKQKFCOZ-UHFFFAOYSA-N 348.424 3.237 30 50 EGEA Oc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2)cc1 239164923 NENRBIJBQMFWHH-UHFFFAOYSA-N 330.800 3.475 30 50 EGEA C=CCOc1ccc(CN[C@]23CCC[C@@]2(OC)OCC3)cc1OC 928996603 XTHRUOTWYLRPOE-RBUKOAKNSA-N 333.428 3.035 30 50 EGEA Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 4912434 LQNSGIGYVVTMSN-LBPRGKRZSA-N 328.368 3.150 30 50 EGEA CN(Cc1csc(-c2cccs2)n1)C(=O)c1ccc(C#N)nc1 72424651 JVPWQQTWGYGBLR-UHFFFAOYSA-N 340.433 3.410 30 50 EGEA CNC(=O)Cc1nc(-c2ccc(C#N)cc2)cc(-c2cccs2)n1 823825753 SAMWLJBRTMGEDB-UHFFFAOYSA-N 334.404 3.032 30 50 EGEA CC(C)COc1ncc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 169936218 XIGQSTXYSFRQSD-UHFFFAOYSA-N 345.170 3.434 30 50 EGEA in-vitro C=CCn1c(SCC(N)=O)nnc1-c1ccc(Cl)cc1Cl 5535871 ONUCYQFERXWLTB-UHFFFAOYSA-N 343.239 3.015 30 50 EGEA CCOc1ccccc1/C=N\N1CCN(c2ccccc2OC)CC1 15685349 WVXJTGDVNUVUEB-PGMHBOJBSA-N 339.439 3.250 30 50 EGEA C#CCCC1(CCC(=O)NCc2ccnc(N3CCCCC3)c2)N=N1 952881102 KHXLDAWFXQOUCQ-UHFFFAOYSA-N 339.443 3.044 30 50 EGEA CCOc1cccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c1 129695 NNTZJFMOSKCNDU-GOSISDBHSA-N 341.407 3.226 30 50 EGEA CC(C)c1occc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 279966837 JFZXDBSNDSOSKE-GOSISDBHSA-N 337.423 3.426 30 50 EGEA CC#CCN(Cc1ccco1)C(=O)COc1ccc(C(=O)CC)cc1 55154434 IICKHYJJUPSMKD-UHFFFAOYSA-N 339.391 3.303 30 50 EGEA C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 100034191 DGDCJMBPLINRKY-OQLLNIDSSA-N 345.271 3.247 30 50 EGEA N#Cc1ccc(CN(C(=O)c2cc(F)c(F)c(O)c2F)C2CC2)cc1 184970894 UWJDGELETUOEPA-UHFFFAOYSA-N 346.308 3.486 30 50 EGEA C=CC[C@H](CC)/N=C(/O)Nc1cnn(C/C(O)=N/C2CCCC2)c1 328599748 TVKYZINHZBZGNN-ZDUSSCGKSA-N 333.436 3.463 30 50 EGEA C[C@@H](NC(=O)N1CCC([C@H]2CCCO2)CC1)c1cccc(C#N)c1 253429797 UPWULCYLILYBES-RDTXWAMCSA-N 327.428 3.220 30 50 EGEA N#Cc1c(-c2cccn2-c2ccncc2)cc(-c2ccc[nH]2)nc1N 71524217 FGJZQKNPCQLHRO-UHFFFAOYSA-N 326.363 3.383 30 50 EGEA C=CCc1ccc(OC[C@H](O)CN2[C@@H](C)CCC[C@H]2C)c(OC)c1 6556186 BUXZZUGYOMPIKM-SOLBZPMBSA-N 333.472 3.426 30 50 EGEA O=C(c1cccs1)[C@@H]1CCCN(Cc2cc(C#CCO)cs2)C1 828644584 HBSUQGRLBBMROY-OAHLLOKOSA-N 345.489 3.248 30 50 EGEA C=C(C)COc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)cc1 952961635 KTAAPQMQAYYZGD-UHFFFAOYSA-N 345.420 3.297 30 50 EGEA COc1cc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)ccc1O 1287733 DJJBFEUMOYQKQZ-GIJQJNRQSA-N 344.371 3.343 30 50 EGEA C=CCNC(=O)c1sc2ncnc(N(CC)CC(=C)C)c2c1C 14959342 GARPOWUXQVRLKA-UHFFFAOYSA-N 330.457 3.318 30 50 EGEA C#CCCC1(CCNC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)N=N1 1875381440 VDSOJXABCYAJIH-CYBMUJFWSA-N 340.210 3.109 30 50 EGEA CCC/C(=N\OCC)[C@H]1C(=O)CC(C)(C)[C@@H](c2cc(C)no2)C1=O 102909765 PRMMBWKGPFIKKP-BXRKRMDBSA-N 334.416 3.444 30 50 EGEA Cc1ccsc1CN(CCN(C)C)C(=O)c1ccccc1C#N 55211762 RXXRIJAPJPMEJT-UHFFFAOYSA-N 327.453 3.132 30 50 EGEA C=CCC1(OC)CCN(Cc2cc3ccc(C)cc3[nH]c2=O)CC1 67955395 FKPSQPRGSQVLOM-UHFFFAOYSA-N 326.440 3.394 30 50 EGEA COc1ccc([C@@H](NCc2cc(C#N)n(C)c2)C2CCOCC2)cc1 373610170 JNIWITIJMNJCOW-HXUWFJFHSA-N 339.439 3.163 30 50 EGEA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@]12C 257359029 XYVVSFGOAQGVRE-WMKCGOMXSA-N 328.452 3.470 30 50 EGEA CCOc1cc(/C=N/O)ccc1OCC(=O)Nc1cccc(C)c1 13110565 AUEHBPSWHOFRPH-YBFXNURJSA-N 328.368 3.219 30 50 EGEA N#CC1(C#N)[C@H](c2cccs2)O[C@@]23CCCC[C@H]2[C@@]1(C#N)C(=N)O3 208159615 PADCIVFBXXREEE-MGBSGCIJSA-N 338.392 3.257 30 50 EGEA O=S1(=O)CC/C(=N\Nc2ccc(Cl)cc2)c2ccsc21 5674230 QNOHKWLTLUIGRJ-FOWTUZBSSA-N 326.830 3.395 30 50 EGEA COc1ccc(CN2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1C#N 340236427 KFLCFZBIQLPEAQ-YJBOKZPZSA-N 344.361 3.153 30 50 EGEA COc1cccc([C@@H]2CCCN2Cc2cc(C#CCO)cs2)c1 828644671 WWSUBXMXBOMCEP-IBGZPJMESA-N 327.449 3.438 30 50 EGEA Cc1cccc(NC2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)c1 188547959 PESSEZBKDLKQFP-UHFFFAOYSA-N 335.407 3.289 30 50 EGEA Oc1ccccc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 19594636 QXLZEGINMLHKDL-DEDYPNTBSA-N 329.831 3.197 30 50 EGEA CC#CC(=O)N1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1 922929486 HPSGUVKCTPSNHT-KRWDZBQOSA-N 346.471 3.038 30 50 EGEA C#CCCC1(CCC(=O)N2CC[C@H]2Cc2ccc(OC)cc2)N=N1 952881264 LUVSHKBXGBYJQS-INIZCTEOSA-N 325.412 3.194 30 50 EGEA CC(C)c1ccc(-n2cc(CN(C)C(=O)c3coc(C#N)c3)nn2)cc1 1875354481 XGHMQIPTISMULB-UHFFFAOYSA-N 349.394 3.128 30 50 EGEA CC1(C)Cc2c(cnn2-c2ccncc2)CN([C@@H]2CC[C@H](C#N)C2)C1 2325756957 WCHLQQURIMNZAZ-MAUKXSAKSA-N 335.455 3.344 30 50 EGEA CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(C)=O 464245 MBHYJHHPWRKJAM-UHFFFAOYSA-N 336.343 3.473 30 50 EGEA CC(C)c1cnc(S[C@@H](C)C(=O)NC2(C#N)CCC2)n1C1CC1 225532159 CNORNQDSTRQMPD-LBPRGKRZSA-N 332.473 3.384 30 50 EGEA O=[N+]([O-])c1ccc(N/N=C\c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 55441172 MUTZZELKZCVYEZ-MFOYZWKCSA-N 325.284 3.430 30 50 EGEA CC(=O)[C@H]1C[C@H](O)[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 71770794 TXSVIPOXNODKEY-UOUVBWGTSA-N 328.452 3.470 30 50 EGEA C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 127502185 JXYIPYMWUYUJGI-STQMWFEESA-N 338.367 3.144 30 50 EGEA N#Cc1ccccc1CN1CCOC[C@@H]1c1nc(-c2ccccc2)no1 282142853 SAIDGBAPVUNRQM-GOSISDBHSA-N 346.390 3.182 30 50 EGEA C[C@H](c1cccc(C#N)c1)N1CCN([C@@H]2CCCc3c2cnn3C)CC1 170602824 QUSPEJMTMOXGFE-IIBYNOLFSA-N 349.482 3.048 30 50 EGEA CC(C)N1C[C@H](CN2CCC(C#N)(c3ccccc3)CC2)CCC1=O 1775979952 QBVQQXZDJIFVGO-SFHVURJKSA-N 339.483 3.191 30 50 EGEA C#CCCC1(CCC(=O)NC[C@@H]2CC[C@H](Oc3ccncc3)C2)N=N1 2325899529 JBJKZHVHNOZGAO-WBVHZDCISA-N 340.427 3.101 30 50 EGEA N#Cc1cc(NC(=O)c2ccc(F)cc2)c(=O)n2c1[nH]c1ccccc12 100641446 HZGNRUPAEORLKQ-UHFFFAOYSA-N 346.321 3.044 30 50 EGEA N#Cc1cc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)ccc1F 120092209 CRFFJUWJJRGOPM-AWEZNQCLSA-N 330.407 3.037 30 50 EGEA CCc1nc(C)sc1Cn1ccnc1-c1ccc(C#CCO)s1 77406740 GCOQHDGZWGNHBY-UHFFFAOYSA-N 343.477 3.331 30 50 EGEA COc1cc(/C=C2\N=C(SC)SC2=O)cc(OC)c1OC 199429 KZPIUGHCUAYLJJ-UITAMQMPSA-N 325.411 3.046 30 50 EGEA O=C1c2ccccc2N[C@@H](c2ccc(Br)s2)N1O 374748 SYXGNGJIEGEIHB-LLVKDONJSA-N 325.187 3.466 30 50 EGEA C=CCN(Cc1ccccc1Cl)C(=O)[C@H](N)Cc1ccccc1 55133267 CENSYUVLHWBXST-GOSISDBHSA-N 328.843 3.425 30 50 EGEA C/N=C(/NC[C@H]1CCOC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 119588287 DSYUYPBZFPLATN-WBVHZDCISA-N 343.471 3.025 30 50 EGEA COc1ccc(C#N)cc1CN1C[C@H](O)C[C@H]1c1cccc(F)c1 253395726 GMYAOPBZNOYZNU-MSOLQXFVSA-N 326.371 3.014 30 50 EGEA C[C@H]1CCCN1C1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 154891154 ZEDMXKQXYURBAT-LBPRGKRZSA-N 338.377 3.425 30 50 EGEA O=C1C=C2CN([C@H](C(=O)C3CC3)c3ccccc3F)CC[C@H]2S1 40442722 MJAMUSZUMAHFLH-WBVHZDCISA-N 331.412 3.120 30 50 EGEA CC1(C)C[C@]1(C#N)NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 292468017 MMYKLOUWEXZTHO-MRXNPFEDSA-N 332.310 3.096 30 50 EGEA Cn1cc(C#N)cc1C(=O)N1CCCCC[C@H]1[C@@H]1CCCCC1=O 164561352 RVGRMMCZTMJXCK-HOTGVXAUSA-N 327.428 3.041 30 50 EGEA COc1cccc(CN2C[C@@H]3CN(Cc4ccccc4C#N)CC[C@@H]32)c1 1772805165 IXEKJQAJCLWEBF-UNMCSNQZSA-N 347.462 3.273 30 50 EGEA O=S1(=O)CCC(CC/N=C(/O)[C@@H]2CCCc3ccccc32)CC1 328975056 BEZKFHPEDZGOHS-QGZVFWFLSA-N 335.469 3.278 30 50 EGEA CC1(C)OB(c2cnc3ccc(Br)cc3c2)OC1(C)C 1857786972 SQRAARCDMVZUGK-UHFFFAOYSA-N 334.022 3.297 30 50 EGEA Cc1ccc(OCC(=O)O/N=C(\N)c2ccc(Cl)cc2)cc1C 4819564 GGCDMBLOJUEWOQ-UHFFFAOYSA-N 332.787 3.199 30 50 EGEA CC(C)Oc1ncccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C 342451219 WBJXXBHJAOALDN-CQSZACIVSA-N 334.379 3.246 30 50 EGEA CC(NC1CC(C)(C)NC(C)(C)C1)=C1C(=O)c2ccccc2C1=O 100435956 SLLRQFBRNAWMFU-UHFFFAOYSA-N 326.440 3.238 30 50 EGEA C[C@@H](c1nncn1C)n1ccnc1-c1ccc(-c2ccccc2C#N)o1 72157522 IOFUZCAFMPNNOG-ZDUSSCGKSA-N 344.378 3.420 30 50 EGEA C#CCCC1(CCC(=O)N2CC[C@@H](c3ccc(OC)cc3)C2)N=N1 952879845 BUCZOKMLHKVBLZ-MRXNPFEDSA-N 325.412 3.367 30 50 EGEA CC(C)(C#N)c1nc(-c2cc(Br)ncc2OC2CC2)no1 1775994085 SHYNZPGXXSUQGK-UHFFFAOYSA-N 349.188 3.236 30 50 EGEA N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)o1 367752281 HLHDDOMOMWMBOY-MAUKXSAKSA-N 342.420 3.241 30 50 EGEA N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1N1CCOCC1 20385925 DOCPHRXCEMOVKW-UHFFFAOYSA-N 333.313 3.476 30 50 EGEA OCCn1c(NN=Cc2ccccc2O)nc2c3ccccc3ccc21 252679452 MRWXHKXZVWTVAC-UHFFFAOYSA-N 346.390 3.333 30 50 EGEA N#Cc1cnnc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 408524698 XWFOUVMRPMPACP-ZDUSSCGKSA-N 325.441 3.068 30 50 EGEA COc1ccc2ccccc2c1/C=N/N1C(=O)c2ccccc2C1=O 250672 OVFVEZFVGFVKPH-CIAFOILYSA-N 330.343 3.479 30 50 EGEA C#CCCC1(CCC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)N=N1 2325892704 XWUWTKFWAROHCH-OAHLLOKOSA-N 335.411 3.405 30 50 EGEA O=C1C[C@@H](c2cccc(O)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 4520709 POCQRVFBQCBVFQ-JSGCOSHPSA-N 339.416 3.458 30 50 EGEA CN(C)N1C(=O)C[C@@H](c2c(F)cccc2Cl)C2=C1CCCC2=O 1422731 NEACGMSVPOPATL-JTQLQIEISA-N 336.794 3.279 30 50 EGEA N#Cc1csc(CNC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c1 328646934 SXDOSPJQNNEVKS-JTQLQIEISA-N 340.374 3.187 30 50 EGEA N#CCc1cccc(NC(=O)N[C@@H]2CCN(c3ccccc3F)C2)c1 455901867 FNYFCNJJNNDDSE-MRXNPFEDSA-N 338.386 3.292 30 50 EGEA COc1ccc(CN2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)cc1C#N 340236424 KFLCFZBIQLPEAQ-CRAIPNDOSA-N 344.361 3.153 30 50 EGEA CC(C)(C)OC(=O)N1CCN(CCSc2cccc(C#N)c2)CC1 170605616 OKSDCPRVHXUMKU-UHFFFAOYSA-N 347.484 3.203 30 50 EGEA Cc1ccsc1/C=N/n1c(S)nnc1COc1ccccc1 1298855 TXEZHJDNVOQQDW-CXUHLZMHSA-N 330.438 3.398 30 50 EGEA C=CCN1CCN(C(=O)c2c(-c3ccccc3Cl)noc2C)CC1 13323083 DLVVNFYGEYZWIM-UHFFFAOYSA-N 345.830 3.247 30 50 EGEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C1(c2ccnc3ccccc23)CC1 867997908 MCWHQMJCCUIAJT-KXBFYZLASA-N 336.435 3.364 30 50 EGEA C#CCCC1(CCNC(=O)Cc2c(C(F)(F)F)coc2C)N=N1 1875369069 YEZFODDUSPMELF-UHFFFAOYSA-N 327.306 3.231 30 50 EGEA N#Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 303975 QETUGQZRNRLHLI-UHFFFAOYSA-N 337.198 3.122 30 50 EGEA C=CCOc1ccccc1CN(CC)C(=O)C1(Cn2ccnc2)CC1 55245062 SAWZIIILPDNMDO-UHFFFAOYSA-N 339.439 3.277 30 50 EGEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cc(Cn2nc(C)cc2C)[nH]n1 11663879 VWZCJEIRMIZQDK-RHSMWYFYSA-N 339.443 3.007 30 50 EGEA N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@H](c1ccccc1)O3 138867730 YDHPTFXGAJFNQY-WTLGNFPFSA-N 332.363 3.195 30 50 EGEA Cc1c([C@@H](C)NCC(=O)N[C@@](C)(C#N)C2CC2)oc2ccccc12 183570485 FWHPMGGRBVQGLZ-YJYMSZOUSA-N 325.412 3.200 30 50 EGEA Cc1ncc(NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 261507686 LDSLSRPOODXWMM-UHFFFAOYSA-N 334.225 3.036 30 50 EGEA COc1ccc(NC(C)=O)cc1NCc1cn2ccccc2c1C#N 193406093 FXSSWPDPRLHTKX-UHFFFAOYSA-N 334.379 3.390 30 50 EGEA CC(C)N1C[C@@H](CN2CCC(C#N)(c3ccccc3)CC2)CCC1=O 1775979950 QBVQQXZDJIFVGO-GOSISDBHSA-N 339.483 3.191 30 50 EGEA CN(C)C(=O)c1ccnc(N=C(O)c2coc(C3CCCCC3)n2)c1 328712639 BQIBVIPREKOYCJ-UHFFFAOYSA-N 342.399 3.455 30 50 EGEA C#CCCC1(CCNC(=O)C23CC4(O)C[C@@](C)(C2)C[C@@](C)(C4)C3)N=N1 1875380809 ANVIOIPWLFOQMA-YYZRRKBYSA-N 343.471 3.180 30 50 EGEA N#Cc1ccc(N2CCO[C@@H](CCF)C2)c(F)c1Br 700576781 IEFBYBPSUFZDGB-JTQLQIEISA-N 331.160 3.025 30 50 EGEA N#Cc1ccsc1NC(=O)[C@H]1COc2ccc(Br)cc21 179883510 YJLBHFKBTJYNRG-NSHDSACASA-N 349.209 3.497 30 50 EGEA C=CCNC(=O)Cc1c2c(n(Cc3ccccc3)c1C)CCCC2=O 12588094 HKZKPCAPARKFSI-UHFFFAOYSA-N 336.435 3.209 30 50 EGEA CC(C)c1ccc([C@H](C)NCc2cc(O)n3ncc(C#N)c3n2)cc1 2325771851 VWQZZRXGWWYSOV-ZDUSSCGKSA-N 335.411 3.281 30 50 EGEA CCOc1cc(-c2cc(-c3cn(C)nc3C)nc(N)c2C#N)ccc1O 71759281 JEFGDCLJUHMLSX-UHFFFAOYSA-N 349.394 3.016 30 50 EGEA N#Cc1nccnc1N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 253432958 QEDAEDYFDCSJIZ-VIFPVBQESA-N 339.346 3.208 30 50 EGEA C=CCCC(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91770090 HGHXQISUWSENLY-UHFFFAOYSA-N 340.467 3.384 30 50 EGEA C=CC[C@@]1(C(=O)O)CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 92028795 NRKPOHNONXMSFE-LJQANCHMSA-N 343.402 3.459 30 50 EGEA Cc1ccc([C@H]2CN(c3cc(C#N)ccn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95385192 JFRLAVDNCXRWNQ-CEMLEFRQSA-N 344.462 3.328 30 50 EGEA CC[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1c(C)noc1C 182442046 LHMUZZVISSQJOJ-OAHLLOKOSA-N 346.818 3.496 30 50 EGEA CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H](CC#N)c2ccccc2)c1 408513991 LASZHRMMXXNXSY-HNAYVOBHSA-N 336.391 3.428 30 50 EGEA CC1CCC2(CC1)OC[C@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)O2 167466386 RCWBAYGWXDPJNO-VXKCQOAXSA-N 331.372 3.200 30 50 EGEA Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)NC(C)(C)C 405062612 FCOKWGKPFBXVMW-UHFFFAOYSA-N 332.253 3.214 30 50 EGEA Cc1cnccc1CCN1CCC(B2OC(C)(C)C(C)(C)O2)CC1 952884262 UCRCTYZOVYKWFN-UHFFFAOYSA-N 330.281 3.491 30 50 EGEA Cc1cc(=O)c(C(=O)Nc2ccc(C3CC3)c(C#N)c2)cn1C1CC1 882310137 DHTLKPSVWZJBAO-UHFFFAOYSA-N 333.391 3.493 30 50 EGEA C#CCCC1(CCC(=O)Nc2cnc(OC(C)C)c(C#N)c2)N=N1 2325892413 MKKRPWUHSOAGQO-UHFFFAOYSA-N 325.372 3.035 30 50 EGEA C=CCc1cc(C)ccc1OCCN1CCC(C(=O)OCC)CC1 6702169 MTSXNFNLPNSQLR-UHFFFAOYSA-N 331.456 3.377 30 50 EGEA CC(C)(C)OC(=O)n1ccc2cc(B3OC(C)(C)C(C)(C)O3)cnc21 170005756 YMTQEKULAXKNKQ-UHFFFAOYSA-N 344.220 3.119 30 50 EGEA C=CCOc1ccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)cc1 67756475 KWCBXTOIUAYXMS-KBXCAEBGSA-N 346.434 3.459 30 50 EGEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)/C(O)=N/[C@@H]1C=CCCC1 328630865 QIKIRMMIXHUJMO-KSZLIROESA-N 328.460 3.029 30 50 EGEA CN1CC[C@@H](C/N=C(/O)c2cc3ccccn3c2)[C@@H]1c1cccnc1 328619942 GMTHSWGTHYJQHQ-LPHOPBHVSA-N 334.423 3.332 30 50 EGEA Cc1cc(C)c2c(c1)/C(=N/O[C@H](C)c1nnc(CC(C)C)o1)C(=O)N2 170650994 KSEOQVTVYVOSKM-GFCCVEGCSA-N 342.399 3.319 30 50 EGEA N#Cc1cc(NC[C@@H]2CCC[C@H]3CCCCN23)c([N+](=O)[O-])cc1C#N 4628957 TWZKYQDKKNQNIW-CVEARBPZSA-N 339.399 3.157 30 50 EGEA CCOc1ccc(/C=C/c2nc(C#N)c(NCCCN(C)C)o2)cc1 4867795 SSUIZLWEFVWTGI-DHZHZOJOSA-N 340.427 3.479 30 50 EGEA aggregator Cc1noc([C@@H](NC(O)=Nc2cscc2C)C2CCOCC2)n1 328627953 NFMSQXRHZFDXGJ-ZDUSSCGKSA-N 336.417 3.051 30 50 EGEA N#Cc1cccc(C2(NC(=O)[C@H]3CCCc4c(O)cccc43)CC2)c1 276514367 JTNKNHPYFUGXJT-SFHVURJKSA-N 332.403 3.489 30 50 EGEA Cc1ccc(/C(N)=N/OC(=O)COc2ccc(C(C)C)cc2)cc1 18093443 MFAMOTDVVKJMOT-UHFFFAOYSA-N 326.396 3.361 30 50 EGEA CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccco1 20058124 AQNTWVPFUBVYNT-MRXNPFEDSA-N 335.359 3.411 30 50 EGEA Cc1cc(COCC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)on1 252497088 PYOQURDLNXHDNB-KRWDZBQOSA-N 341.411 3.178 30 50 EGEA N#Cc1ccc(NC(=O)c2cnc(-c3ncccn3)s2)cc1Cl 121402276 HADSQBZHGCHAMD-UHFFFAOYSA-N 341.783 3.377 30 50 EGEA N#Cc1cccnc1N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 72436160 BLGNZGRHSQRGNF-CQSZACIVSA-N 347.344 3.448 30 50 EGEA N#Cc1ccc(F)c(CNc2cc(C(N)=O)ccc2N2CCCC2)c1 298074719 GSWVKGRPYOECNH-UHFFFAOYSA-N 338.386 3.009 30 50 EGEA CC1(C)OB(c2cccc3nn([C@H]4CCCCO4)cc23)OC1(C)C 169984386 RSQIEDANVHBVHU-MRXNPFEDSA-N 328.221 3.035 30 50 EGEA in-vitro C[C@H](C(=O)O/N=C(\N)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 4985759 CDXHIHQEZNUDKL-JTQLQIEISA-N 347.758 3.215 30 50 EGEA C=CCN1C(=O)N(c2ccc(C#N)cc2)C(=O)[C@@H]1Cc1ccccc1 349260251 COUIZQATSBABEJ-SFHVURJKSA-N 331.375 3.124 30 50 EGEA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2c1c(F)cc(C#N)cc1F 253393184 VVTOIJROQHRKRN-AGUYFDCRSA-N 328.366 3.485 30 50 EGEA Cc1ccnc(Sc2nnc(C3CCNCC3)n2C(C)C)c1C#N 253419192 DTXXXOYIWRIEJX-UHFFFAOYSA-N 342.472 3.052 30 50 EGEA Cc1cnc(COc2cc(C#N)ccc2I)o1 337222661 MBZZLJYQBHBHGU-UHFFFAOYSA-N 340.120 3.038 30 50 EGEA N#Cc1ccc(-c2nnc(CN3CC[C@@H](O)c4ccccc4C3)o2)cc1 374804658 CNGNSZAUURLZIT-GOSISDBHSA-N 346.390 3.048 30 50 EGEA C=C(C)CN1CCN(C2CCN(c3cc(C)cc(C)c3)CC2)CC1 952961462 FRLYUJJGZLSUAL-UHFFFAOYSA-N 327.516 3.466 30 50 EGEA N#Cc1ccc(N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)cc1Cl 1775958085 BYYJBEVDTCNFRY-JKSUJKDBSA-N 334.803 3.060 30 50 EGEA N#Cc1c(N)n(CCc2ccc(F)cc2)c2nc3ccccc3nc12 390247 MLRFWAUKRGIPTK-UHFFFAOYSA-N 331.354 3.420 30 50 EGEA Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCc1cccc(C#N)c1 225599395 MYQBBZUOIOIJOH-UHFFFAOYSA-N 344.374 3.095 30 50 EGEA C=CCN(CCO)C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 117044261 MRCWUWUDVFYUDR-UHFFFAOYSA-N 344.377 3.173 30 50 EGEA O=C(O)c1cc(NC2=C(Cl)C(=O)c3ccccc3C2=O)ccc1O 4049852 YQLZYNDVVJFGBH-UHFFFAOYSA-N 343.722 3.032 30 50 EGEA Cc1nsc(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)CC3)c1C#N 286798691 KHIVOGFHGCLDSH-STQMWFEESA-N 348.472 3.301 30 50 EGEA N#Cc1cc(F)ccc1CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 179506681 XFFZPQCDRBJSQH-CQSZACIVSA-N 325.391 3.072 30 50 EGEA C=CCN(C)C(=O)[C@@H](CCCCCC(C)=O)NC(=O)OC(C)(C)C 408521928 ALCNSGSLGOKIFL-OAHLLOKOSA-N 340.464 3.064 30 50 EGEA N#CCN1CCC(c2nc(-c3ccccc3Br)no2)CC1 276834754 GYHMOXPICSUQSI-UHFFFAOYSA-N 347.216 3.202 30 50 EGEA NC(=S)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4282254 FPOHNEGIUQAAJM-CIAFOILYSA-N 349.415 3.226 30 50 EGEA C=C(C)CN(CC)C(=O)c1cc(Br)cc2nc(O)[nH]c12 408523205 PWWXZUWMLROADV-UHFFFAOYSA-N 338.205 3.069 30 50 EGEA Cc1sc(C)c(C(=O)N2CCc3cc(O)cc(F)c3C2)c1C#N 1875297733 BWBHTXMTEPLTCO-UHFFFAOYSA-N 330.384 3.280 30 50 EGEA CCOC(=O)N1CCN(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)CC1 6401753 JSAVHNTUTCEBTO-ONEGZZNKSA-N 346.471 3.060 30 50 EGEA COC(=O)[C@H]1CC12CCN(/C(O)=N/Cc1ccc(C3CC3)cc1)CC2 328595572 YLOCPAHMCXRLNT-QGZVFWFLSA-N 342.439 3.253 30 50 EGEA Cc1cc(F)ccc1CN1CC(=O)N(c2ccc(C#N)cc2)C[C@@H]1C 82121536 IHGQYHHYJXCDTG-HNNXBMFYSA-N 337.398 3.243 30 50 EGEA COc1ccc(-c2nnc(S)n2N=Cc2ccccc2F)cc1 252429452 QNOVWJDSWSDRQP-UHFFFAOYSA-N 328.372 3.264 30 50 EGEA CCOC(=O)COc1ccc(/C=N/N(C)c2ccccc2)cc1OC 4989556 SYLNHNPNGVBMMF-DEDYPNTBSA-N 342.395 3.107 30 50 EGEA N#Cc1cccnc1N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 67946487 DEUIRIVWOOBMEX-UHFFFAOYSA-N 341.842 3.428 30 50 EGEA CCCCO[C@@H]1C[C@H](N[C@H](C)C(=O)NC2(C#N)CCCCC2)C1(C)C 253430373 QMAXBBCALVFHAA-IXDOHACOSA-N 349.519 3.291 30 50 EGEA N#C[C@@H]1CN(c2nc3ccccc3s2)C[C@]12C(=O)Nc1ccccc12 241644419 PQOMZINQJDXRQC-BLVKFPJESA-N 346.415 3.146 30 50 EGEA CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCCN1C1CCCC1 241897231 TWTLVAQYLSIECA-LJQANCHMSA-N 325.456 3.314 30 50 EGEA COc1cccc(/C=C/c2nc(C#N)c(N3C[C@H](C)O[C@H](C)C3)o2)c1 16487921 ZIUYEJDSIHAVFE-CWZTWBIVSA-N 339.395 3.339 30 50 EGEA COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C)cc1 9089565 IKFHBODSZAZPEZ-QGZVFWFLSA-N 337.375 3.212 30 50 EGEA N#Cc1cnc2c(-c3ccccc3)c(COc3ccccc3)nn2c1N 1059438 SKJJTZRKFFIDKE-UHFFFAOYSA-N 341.374 3.429 30 50 EGEA CC[C@H](C(=O)O/N=C(\N)c1ccc(OC)c(OC)c1)c1ccccc1 6953690 SNPLEUKTXZKLPK-HNNXBMFYSA-N 342.395 3.061 30 50 EGEA C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CCC(CN3CCCC3=O)CC1)C2 102192149 VOMNUUPLHCAWSG-LAUBAEHRSA-N 344.499 3.230 30 50 EGEA C=CCN(Cc1ccccc1Cl)C(=O)c1cnc(NCC)nc1 55225006 UUVGQBYSZIVFGJ-UHFFFAOYSA-N 330.819 3.390 30 50 EGEA CC(C)[C@H](C#N)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 347321401 YFMRXFRHVCKHFA-NSHDSACASA-N 338.289 3.033 30 50 EGEA Cn1nccc1C1CCN(/C(O)=N/[C@H]2CCCC(F)(F)C2)CC1 330218332 JFXLHJBBJNIDLN-ZDUSSCGKSA-N 326.391 3.091 30 50 EGEA Cc1c(-c2cc(-c3cnn(C)c3)c(C#N)c(N)n2)c2ccccc2n1C 71767967 ZHRDZNOPWSRDCM-UHFFFAOYSA-N 342.406 3.403 30 50 EGEA N#Cc1ccc(F)cc1CN1CCC(OC[C@@H]2CCCCO2)CC1 160984949 IQAKPKCYHUZPRQ-IBGZPJMESA-N 332.419 3.247 30 50 EGEA N#Cc1c[nH]c(C(=O)NCc2cc3cc(Br)ccc3[nH]2)c1 186528948 ULLADSLJWSUZNY-UHFFFAOYSA-N 343.184 3.060 30 50 EGEA Cc1ccc(-c2ccc(/C=N\n3cnnc3)o2)c(Br)c1 37663 CNDKTIWKKPQJIZ-WSVATBPTSA-N 331.173 3.491 30 50 EGEA Oc1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)cc1 1305817 NENRBIJBQMFWHH-RQZCQDPDSA-N 330.800 3.475 30 50 EGEA C#CCCC1(CCC(=O)NCC2(OC)CCC(F)(F)CC2)N=N1 952882600 WAOVCEZGVKPMOS-UHFFFAOYSA-N 327.375 3.053 30 50 EGEA N#C[C@@H]1CC[C@H](CC(=O)Nc2ccc(NC(=O)C3CCC3)cn2)C1 2325797271 KAQMTPCBXHQSAO-QWHCGFSZSA-N 326.400 3.089 30 50 EGEA N#Cc1cnc2c(-c3ccccc3)c(Cc3ccccc3)nn2c1N 6697101 HAGVPSJSVCKBGL-UHFFFAOYSA-N 325.375 3.441 30 50 EGEA C=CCN(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)CC(C)C)C2)cn1 67714450 NHQNXHPBZCWMDI-QGZVFWFLSA-N 343.471 3.171 30 50 EGEA CCc1cc(N2CCC(C#N)(c3ccccc3)CC2)n2nccc2n1 72146914 MFQWFHQTBICSJS-UHFFFAOYSA-N 331.423 3.353 30 50 EGEA COc1ccccc1[C@H]1CC[C@@H](C)CN1S(=O)(=O)CCCC#N 285427082 WGGYQSZKLLTNFR-GDBMZVCRSA-N 336.457 3.102 30 50 EGEA COc1cc(CN2CCC[C@H](c3nnc(C)o3)[C@@H]2C)ccc1C#N 886077540 HGEUXNSJTNVPBR-LRDDRELGSA-N 326.400 3.026 30 50 EGEA C=CCOc1ccccc1CN1CCC[C@@H](N(C)CCCN(C)C)C1 20998748 GDTGNXLPEKRPND-HXUWFJFHSA-N 345.531 3.099 30 50 EGEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Cc3ccccc3)o2)cc1 170623850 WFGRLLWZUBLHNX-UHFFFAOYSA-N 338.388 3.496 30 50 EGEA N#Cc1ccc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)nc1N 328597873 JFOYHDBAMLFWSW-CYBMUJFWSA-N 339.468 3.255 30 50 EGEA C=CCOC(=O)[C@@]12[C@H]3[C@H]4[C@H]5[C@H]6C[C@H]4[C@@H]1[C@@H]1C[C@@H]4[C@@H]6[C@@H]6[C@H]7[C@@H]([C@H]3[C@H]56)[C@H]2[C@H]1[C@@H]74 257357269 MXXJXNBNZOAERM-DZRMMHCTSA-N 346.470 3.094 30 50 EGEA C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nccc(Br)c1C 905961003 WUGQCSQDMOVUIJ-JQWIXIFHSA-N 325.206 3.072 30 50 EGEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2ccc(C)o2)cc1 6876089 DLVGHQMBFRBZBQ-LICLKQGHSA-N 343.412 3.112 30 50 EGEA COc1ccccc1Oc1ccc(NC(=O)c2cc(C#N)c[nH]2)cn1 824827546 IGUZPDFRVCGCSO-UHFFFAOYSA-N 334.335 3.335 30 50 EGEA C#Cc1ccc([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCCN24)cc1 12195014 PSDFFHKUARKMMM-VCOUNFBDSA-N 334.463 3.348 30 50 EGEA C[C@@H]1CN([C@H](C)C(=O)NC2(C#N)CCCCC2)[C@@H]1c1ccccc1 245416629 FHQNOVRSUFWJDM-NUJGCVRESA-N 325.456 3.411 30 50 EGEA CN(CC1(O)CCCCCC1)/C(O)=N/CCc1cccc(C#N)c1 328588078 QXGYDWOGBQCUDJ-UHFFFAOYSA-N 329.444 3.032 30 50 EGEA CN(Cc1ccc(F)cc1C#N)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328653139 WTORLLONZDZQNY-PXNSSMCTSA-N 338.430 3.217 30 50 EGEA CC(C)N1C(O)=N[C@@H]2CN(C(O)=Nc3ccc4ccoc4c3)CC[C@@H]21 329071795 ZEPXGTCXDNDMPF-CABCVRRESA-N 342.399 3.059 30 50 EGEA Cc1cccnc1CN(C)[C@@H](C(=O)O)c1ccc(C(C)(C)C#N)cc1 95382115 KCOQJJDUYTYFGM-GOSISDBHSA-N 337.423 3.449 30 50 EGEA CC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(C#CC(C)(C)O)o1 1506419408 PFRXNBYTZQPLRD-INIZCTEOSA-N 326.396 3.020 30 50 EGEA C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccn3)c2C)C1=O 981589 VHXMKGYQDJBADA-RVDMUPIBSA-N 337.404 3.159 30 50 EGEA COc1ccc(CC2(CO)CCN(CC#Cc3ccccc3)CC2)cc1 12228770 LIRFNHZKAAZKRH-UHFFFAOYSA-N 349.474 3.364 30 50 EGEA O=C1c2ccccc2C(=O)N1OC(F)(C(F)(F)F)C(F)(F)F 1988187979 FCGXTBJQZWDVAN-UHFFFAOYSA-N 331.143 3.005 30 50 EGEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1cccc(-n2cnnc2)n1 55404824 WDNXGUYUQHWSFF-IRXDYDNUSA-N 349.438 3.344 30 50 EGEA N#Cc1ccc(OCC(=O)NCc2ccc(-n3cccc3)cc2)cc1 1426632 LMEQQSSDZYXCLM-UHFFFAOYSA-N 331.375 3.044 30 50 EGEA CCn1cc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)cc1C#N 72480926 STNOEUVKNLHHKH-OAQYLSRUSA-N 348.494 3.055 30 50 EGEA COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccsc2)cc1Cl 130317289 DJFCMZVPLWUWPH-LLVKDONJSA-N 334.784 3.371 30 50 EGEA CC(C)(O)C#Cc1ccc(C(=O)N2CC[C@H]2c2ccc(F)cc2)o1 952986925 GYOHUNCMUVWCJS-INIZCTEOSA-N 327.355 3.128 30 50 EGEA CC1(C)Cc2c(cnn2-c2ccncc2)CN([C@H]2CC[C@@H](C#N)C2)C1 2325756958 WCHLQQURIMNZAZ-QAPCUYQASA-N 335.455 3.344 30 50 EGEA O=S(=O)(N/N=C/c1ccccc1O)c1cc(Cl)ccc1Cl 6660800 JAVHLPHLLSFRIR-LZYBPNLTSA-N 345.207 3.011 30 50 EGEA CCCNc1ncc(-c2cc(-c3cccc(O)c3)nc(N)c2C#N)cn1 67954849 IMLOKKDQKOSUBK-UHFFFAOYSA-N 346.394 3.187 30 50 EGEA C=CCc1cc(C(=O)N(C)CCCc2c(C)n[nH]c2C)ccc1OC 952961329 BOSPLJOLDBWILO-UHFFFAOYSA-N 341.455 3.468 30 50 EGEA Cc1cc(CN[C@@H](CN2CCCC2=O)c2ccccc2)ccc1C#N 408514756 DCDSHZSQQBSJNN-FQEVSTJZSA-N 333.435 3.320 30 50 EGEA CCc1cnccc1C(=O)N[C@H](C#N)c1cccc(Br)c1 185265760 VCJRGHJYGHYYOQ-OAHLLOKOSA-N 344.212 3.401 30 50 EGEA C=CCn1c(SCc2ccnc(N)c2)nnc1-c1cccs1 195501568 CWWFIVGMVAYPHZ-UHFFFAOYSA-N 329.454 3.462 30 50 EGEA Oc1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)cc1O 1287613 DQPMCLUMMMRZLW-CAOOACKPSA-N 346.799 3.181 30 50 EGEA CCn1ccnc1[C@H]1OCC[C@@H]1N/C(O)=N/[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 328961309 KQBWFUIGSFVEGY-NQCBRMCBSA-N 346.475 3.061 30 50 EGEA N#Cc1cc(Cl)ccc1N1CCC([C@@H]2CC[C@H](C(=O)O)O2)CC1 1775958065 AETSAAYWUPATJM-JKSUJKDBSA-N 334.803 3.060 30 50 EGEA Cc1nc[nH]c1-c1cc(-c2cc(F)c(F)c(F)c2)nc(N)c1C#N 71752690 AVQLDCXOIHJPBR-UHFFFAOYSA-N 329.285 3.318 30 50 EGEA C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CCC1=CC(=O)O[C@H]1O 136327916 GZTUAPFQPZVTGA-FXRFXEHHSA-N 348.439 3.432 30 50 EGEA biogenic CN(CCN(Cc1ccc(C#N)cc1Br)C1CC1)C1CC1 170616702 NGLDBNDZXYQWIA-UHFFFAOYSA-N 348.288 3.379 30 50 EGEA COC[C@@H](NC(=O)Cc1cccc2ncccc12)c1cccc(C#N)c1 1875316875 GGOGBULAXIRNEE-HXUWFJFHSA-N 345.402 3.153 30 50 EGEA N#C[C@H]1CN(c2ccnc3ccsc23)C[C@@]12C(=O)Nc1ccccc12 253392190 BZSLHAAJZZPWSG-HXPMCKFVSA-N 346.415 3.146 30 50 EGEA N#Cc1c(N)nc2c(c1-c1cccc(OC3CCCC3)c1)CNCC2 72139030 ZHNCDRHHQIIIIO-UHFFFAOYSA-N 334.423 3.170 30 50 EGEA C/C(=N\NCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2 43761327 SBDFEWKZBLCFLB-DEDYPNTBSA-N 325.368 3.434 30 50 EGEA N#C[C@H]1CCC[C@H](CC(=O)Nc2ccc(NC(=O)C3CCC3)cn2)C1 2325781409 NHQJBMXPRQLGOI-KBPBESRZSA-N 340.427 3.479 30 50 EGEA CCOc1ccc(-c2nc(C#N)c(N3C[C@H](C)O[C@@H](C)C3)o2)cc1 467640 MRKYPOSHYHJRRX-STQMWFEESA-N 327.384 3.226 30 50 EGEA N#CCc1ccc(OC[C@H](O)CN2CCC[C@H]2c2cccs2)cc1 247708471 HCZQTRLDYKKAFJ-AEFFLSMTSA-N 342.464 3.391 30 50 EGEA Cc1cc(C)c(/C(N)=N/OC(=O)c2ccccc2Cl)c(Cl)n1 4771503 QYPUSYBKIIPGBZ-UHFFFAOYSA-N 338.194 3.483 30 50 EGEA C[C@H](NCCCC1(C#N)CCOCC1)c1ccc(-n2cncn2)cc1 281932382 IDRMVNWINYLDHT-INIZCTEOSA-N 339.443 3.018 30 50 EGEA CCc1nnc([C@]23CCC[C@H]2CN(c2nccc(C#N)c2Cl)C3)o1 952849390 JWKZBKQFKFRPGQ-SJCJKPOMSA-N 343.818 3.110 30 50 EGEA C#CCOc1ccccc1NC(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 188133547 KJBWMRPYWURXRY-RDJZCZTQSA-N 338.411 3.010 30 50 EGEA Cc1cccc(C(=O)O/N=C(\N)c2ccc(Br)cc2)c1 4682062 HPZKKTINIGQDIZ-UHFFFAOYSA-N 333.185 3.235 30 50 EGEA CCn1cc([C@@H]2OCCC[C@H]2CNc2ccc(Cl)c(C#N)n2)cn1 886088667 HOKQYRPQAVHXSY-YVEFUNNKSA-N 345.834 3.403 30 50 EGEA CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(CC)CC1 521153 LVNIRRLSRMHXSP-UHFFFAOYSA-N 347.466 3.372 30 50 EGEA CC[C@H](C)C(=O)OC[C@]1(c2ccc(C)cc2OC(=O)C(C)C)CO1 1608519 DBEFONQGRSUFQO-IFXJQAMLSA-N 334.412 3.371 30 50 EGEA endogenous,in-man C#CCCC1(CCNC(=O)C[C@H](c2ccccc2)N2CCCC2)N=N1 2325891662 UQCWDMFXXZOGMS-GOSISDBHSA-N 338.455 3.295 30 50 EGEA CC(C)c1ccc(/C=N/O[C@@H]2CCCN(c3cnn(C)c3)C2=O)cc1 170642567 XKJOJJVIAFKTDQ-PGNNWUFWSA-N 340.427 3.090 30 50 EGEA C=CCN1C(=O)/C(=C\c2cc3c(cc2Cl)OCO3)SC1=S 12343668 LFBGWFPHZLXAQO-LFYBBSHMSA-N 339.825 3.456 30 50 EGEA CC1=C(C)/C(=N/OC(=O)c2ccccc2)C=C(Br)C1=O 12412622 OTYHDLWDLDAAIR-GHRIWEEISA-N 334.169 3.397 30 50 EGEA COc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)ccc1O 18125190 JOIUJUJSHIHBDT-GDNBJRDFSA-N 326.377 3.292 30 50 EGEA biogenic,in-vitro CC(C)c1noc([C@H](/N=C(/O)[C@@]2(C)CCCO2)C2CCOCC2)n1 328610854 JHSNMMSXMBTEEF-CXAGYDPISA-N 337.420 3.186 30 50 EGEA CCn1cc(CN2CCCN(Cc3ccc(F)cc3)CC2)cc1C#N 72158199 AYBUZNVXRHDYKP-UHFFFAOYSA-N 340.446 3.227 30 50 EGEA N#Cc1ccccc1N1CCC(CNC(=O)[C@@H]2CCC(F)(F)C2)CC1 370556856 XBBDIAMXMWWSEX-OAHLLOKOSA-N 347.409 3.326 30 50 EGEA C=CCn1c(SCC(=O)OC)nnc1-c1csc(CCC)c1 17070942 MHRQHFFYAOGTKV-UHFFFAOYSA-N 337.470 3.410 30 50 EGEA Cc1ccccc1C[C@@H](C)/N=C(/O)c1cn(C)nc1-c1cnn(C)c1 328588861 XVJRPWKXDGWFOQ-CQSZACIVSA-N 337.427 3.065 30 50 EGEA C#CCCC1(CCC(=O)N2CCCN(c3ccc(C)cc3)CC2)N=N1 952881690 MJLXOMVDOUEIHU-UHFFFAOYSA-N 338.455 3.389 30 50 EGEA Cc1ncc(N=C(O)C2CCN(C(=O)C(C)C)CC2)c(C2CC2)n1 328753840 DMOMIPXBQCDAQL-UHFFFAOYSA-N 330.432 3.145 30 50 EGEA Cc1oc(C#N)cc1C(=O)N1CCC[C@H](Cn2cnc3ccccc32)C1 369052650 COVZJUXQQYFNCH-HNNXBMFYSA-N 348.406 3.362 30 50 EGEA C=C(C)COc1ccccc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 820530613 GSYQKXJWHJKWEF-HNNXBMFYSA-N 342.439 3.371 30 50 EGEA Cn1ncc(C(O)=Nc2ccc(N3CCCCC3)cn2)c1C1CC1 329243208 SSJJHROSEJOKKI-UHFFFAOYSA-N 325.416 3.319 30 50 EGEA CN(c1cccnn1)C1CCN(c2ccc(Cl)cc2C#N)CC1 253433585 YYFKBROOKKJMGY-UHFFFAOYSA-N 327.819 3.107 30 50 EGEA Cc1ccc(S(=O)(=O)N/N=C/c2c(F)cccc2Cl)cc1 453607 JZCIBHAOAAKHKD-RQZCQDPDSA-N 326.780 3.100 30 50 EGEA CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cccc(C#N)c12 2529491 ZZIWNGZWOWKJQU-UHFFFAOYSA-N 336.322 3.358 30 50 EGEA COc1cccc(N2CCc3nc(N)c(C#N)c(-c4ccoc4)c3C2)c1 72173751 ONYDULKMNSONEC-UHFFFAOYSA-N 346.390 3.367 30 50 EGEA N#Cc1ccc(CNC(=O)CC[C@@H]2CCCN3CCCC[C@H]23)cc1 95384014 QVFPFWFAENFSLE-RBUKOAKNSA-N 325.456 3.219 30 50 EGEA C=CCc1cc(C(=O)N(CCO)Cc2cccs2)ccc1OC 952972731 QTYJVQUTHWJHJC-UHFFFAOYSA-N 331.437 3.120 30 50 EGEA N#Cc1cc(NC(=O)Nc2ccc(O)cc2)ncc1Br 170608501 ZWUYOGXVEKNSOM-UHFFFAOYSA-N 333.145 3.065 30 50 EGEA O=C1c2cccc3cccc(c23)C(=O)N1/N=C/c1cccc([N+](=O)[O-])c1 446250 BNQUBONCPYDFNS-RGVLZGJSSA-N 345.314 3.378 30 50 EGEA C=CCn1c(CNC(=O)C2CC2)nnc1SCc1cccc(C)c1 12454364 YQFCYQHPLXBFAA-UHFFFAOYSA-N 342.468 3.091 30 50 EGEA COc1ccc(CC/N=C(/S)NCc2cccs2)cc1OC 13496765 MEBXCEIDCPDHEM-UHFFFAOYSA-N 336.482 3.383 30 50 EGEA N#CC1(C#N)[C@@H](c2cccs2)O[C@@]23CCCC[C@H]2[C@@]1(C#N)C(=N)O3 208159572 PADCIVFBXXREEE-UWWPHRKUSA-N 338.392 3.257 30 50 EGEA C=CCCc1noc([C@@]2(C(F)(F)F)CCN(c3ccccn3)C2)n1 952894890 RLPOPNORXJESQT-OAHLLOKOSA-N 338.333 3.294 30 50 EGEA N#Cc1ccc(CN2CCC(N3CCc4cc(F)ccc43)CC2)cn1 2325778711 KUEAVBZCMYSCLO-UHFFFAOYSA-N 336.414 3.119 30 50 EGEA C#CCCC1(CCC(=O)N2CC[C@@H]3C[C@H](CC(=O)O)CC[C@H]3C2)N=N1 2325901015 QLFIPQKMQCJJIA-OAGGEKHMSA-N 345.443 3.082 30 50 EGEA N#CCCn1cc(C(=O)NCc2ccccc2)c(-c2cccs2)n1 3410502 VNMJBEQRCBRRHX-UHFFFAOYSA-N 336.420 3.455 30 50 EGEA CC1(C)OB(c2ccc(C(=O)c3cccc(F)c3)cc2)OC1(C)C 170007529 JJTIURQZNOXFOM-UHFFFAOYSA-N 326.176 3.356 30 50 EGEA O/C(=N/CCc1cnc(C2CC2)nc1)[C@H]1CCCN1C1CCCC1 328772073 JMCFTWIHAVFHBG-QGZVFWFLSA-N 328.460 3.260 30 50 EGEA C=C(C)[C@@H]1CC=C(CN2CCC(=O)N(Cc3cccnc3)CC2)CC1 299755323 AAVHORYFHZUIGY-HXUWFJFHSA-N 339.483 3.419 30 50 EGEA CCNC(=S)N(C)/N=C(\C(=O)c1ccccc1)c1ccccc1 670421240 SYHHEBSTEWHFHY-SILNSSARSA-N 325.437 3.100 30 50 EGEA COc1ccc2ccccc2c1/C=N/n1c(C)cc(C)c(C#N)c1=O 116587 GCWFVMBMXXWZJV-WSDLNYQXSA-N 331.375 3.381 30 50 EGEA COc1cccc(-c2ccc(=O)n(Cc3c(C)cc(C#N)cc3C)n2)c1 2325854563 KFUUWBMLDYNRDN-UHFFFAOYSA-N 345.402 3.456 30 50 EGEA S=c1[nH]nc(/N=C/c2ccc3c(c2)OCO3)n1Cc1ccccc1 6864292 FWDAOCFNSWXNNV-GIJQJNRQSA-N 338.392 3.468 30 50 EGEA N#Cc1ccc(C(=O)N2CCC[C@]3(C=Cc4ccccc4O3)CC2)cn1 65395282 DVIUYNDCILBLES-NRFANRHFSA-N 345.402 3.424 30 50 EGEA N#Cc1cccc(CN2CCC(Oc3ccccc3)(C(=O)O)CC2)c1 72432126 MGTNMGAPIJGDJQ-UHFFFAOYSA-N 336.391 3.056 30 50 EGEA C#CCCCOc1ccccc1NC(=O)CCNC(=O)OC(C)(C)C 408524961 CTWHPFPIVSBGAS-UHFFFAOYSA-N 346.427 3.332 30 50 EGEA COc1cccc(/C=N/n2c(-c3ccco3)n[nH]c2=S)c1OC 1241156 FGTAQUQRHFZAAX-CXUHLZMHSA-N 330.369 3.100 30 50 EGEA CC(C)(C)OC(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 200119576 NTQQTTMKWCHRCI-UHFFFAOYSA-N 339.266 3.072 30 50 EGEA O=C1c2ccccc2C(=O)N1N=Cc1cc(Cl)cc(Cl)c1O 254402953 OXEQBGOMYAVJJM-UHFFFAOYSA-N 335.146 3.329 30 50 EGEA C#CCCC1(CCNC(=O)c2ccc(N)c(-c3nccs3)c2)N=N1 2325891419 FJYTWMHUCWDUMN-UHFFFAOYSA-N 339.424 3.088 30 50 EGEA CSc1nc2n(n1)[C@@H](c1sccc1C)C1=C(CCCC1=O)N2 4776998 UTQBIBLBFMUCDQ-GFCCVEGCSA-N 332.454 3.392 30 50 EGEA NC1=C(Nc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2C1=O 4955876 GHCCRBAXZVOAEU-UHFFFAOYSA-N 332.281 3.367 30 50 EGEA OC(=Nc1c[nH]nc1-c1nccs1)C1CCN(CC(F)F)CC1 329340720 OLPTXLIQSHHJPM-UHFFFAOYSA-N 341.387 3.098 30 50 EGEA Cc1ccc(Cc2ccccn2)cc1N=C(O)N1CCC[C@@H](CO)C1 328687781 HHQYIKLJSPIURF-QGZVFWFLSA-N 339.439 3.231 30 50 EGEA N#Cc1ccc(CCC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 331593152 NBFWGXNMAWDZGL-OTWHNJEPSA-N 326.440 3.033 30 50 EGEA C[C@](NCc1ccc(C#N)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 177387030 WZXUFNDPQUVZHN-QGZVFWFLSA-N 347.340 3.067 30 50 EGEA N#Cc1cccc(OCCn2ccnc2[C@H](O)c2ccc(F)cc2)c1 189525535 CISUICKEWYYIPI-GOSISDBHSA-N 337.354 3.055 30 50 EGEA COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@H](C#N)C1CC1 194806572 JGFYMQMOPIKNIV-GOSISDBHSA-N 334.375 3.172 30 50 EGEA Cc1ccc(/C(N)=N/OC(=O)c2cccc(Br)c2)cc1 4281345 KQRYNHGLVFEFAI-UHFFFAOYSA-N 333.185 3.235 30 50 EGEA CC(C)n1cc([C@H]2OCC[C@@H]2NCc2cc(C#N)ccc2F)cn1 886094215 UVMREHWZYKZCRT-ZWKOTPCHSA-N 328.391 3.095 30 50 EGEA CCOC(=O)C1=C(C)NC(=S)[C@H](C#N)[C@H]1c1ccc(Cl)cc1 1206882 IWYVZHGOUDGWAV-TZMCWYRMSA-N 334.828 3.331 30 50 EGEA CC(C)[C@H](C#N)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 352693199 MZUVMWJBZGJSLL-AWEZNQCLSA-N 336.317 3.169 30 50 EGEA O/C(=N/Cc1ccc2nc(O)[nH]c2c1)[C@@H]1C[C@@]12CCOc1ccccc12 329495148 DLSHLAIQKUNXIC-VBKZILBWSA-N 349.390 3.465 30 50 EGEA Cc1cc(C#N)nc(N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)n1 288211438 DDQLMGGDQBLNCJ-AWEZNQCLSA-N 341.846 3.193 30 50 EGEA C=CCN(Cc1cccc(OC)c1)C(=O)CCN1C[C@@H]2CC[C@H]1C2 952869110 ILWHSINKOXGLAH-MSOLQXFVSA-N 328.456 3.084 30 50 EGEA N#C[C@H]1CCC[C@H](Nc2ccccc2CN2CCC(CO)CC2)C1 193112412 ZRFISWNQJWWMNH-HKUYNNGSSA-N 327.472 3.385 30 50 EGEA C=CCNc1ncnc2sc(C(=O)N3CCC[C@H](C)C3)c(C)c12 12036566 RKRDQMRMAVPDNF-NSHDSACASA-N 330.457 3.470 30 50 EGEA CCN(CC)c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(OC)c1 15685705 LFTSCURAEKHGAB-ODLFYWEKSA-N 343.387 3.291 30 50 EGEA N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(N)=O 283341 LNLIHASOZZDHMS-UHFFFAOYSA-N 343.355 3.278 30 50 EGEA O=S(=O)(/N=C(/O)C1(C2CC2)CCOCC1)c1ccccc1Cl 328594062 MVNQSMUTXKPZMO-UHFFFAOYSA-N 343.832 3.192 30 50 EGEA CC(C)[C@@H](NC(=O)c1ccc(-c2ccccc2C#N)cc1)C(=O)N(C)C 426388614 XWSGXBLYILJLJI-LJQANCHMSA-N 349.434 3.068 30 50 EGEA C=CCN(CC=C)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C 11974019 JDGLBCRVKSRFMS-UHFFFAOYSA-N 349.394 3.045 30 50 EGEA C#CCCC1(CCC(=O)N2CCOC[C@H]2c2cccc(F)c2)N=N1 952879544 FKOMTEUZMAXJOS-INIZCTEOSA-N 329.375 3.081 30 50 EGEA CN=C(NCC(C)C)N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 1875319764 QTADTUWWPBIUMN-CYBMUJFWSA-N 332.879 3.500 30 50 EGEA CC#CC(=O)Nc1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C2 1875365520 ORLLLXMJGXJLPI-MRXNPFEDSA-N 328.412 3.030 30 50 EGEA N#Cc1ccc(NC(=O)c2ccccc2I)cc1 95891 UZKBPVBWTKLXJS-UHFFFAOYSA-N 348.143 3.415 30 50 EGEA Cc1c(Br)ccc(C(=O)N[C@@]2(C#N)CC2(C)C)c1F 291506351 VXXPBXXMUUIPMV-CQSZACIVSA-N 325.181 3.319 30 50 EGEA Cc1oc(C#N)cc1C(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 253433276 VAMYSVWZLGKCTF-WMLDXEAASA-N 337.423 3.100 30 50 EGEA Cc1ccccc1C(=O)O/N=C(\N)c1cccc(Br)c1 4832543 PUIPIOCXXUXUSV-UHFFFAOYSA-N 333.185 3.235 30 50 EGEA C=CCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 4843128 NGXNRUMTEQEKQR-UHFFFAOYSA-N 328.324 3.421 30 50 EGEA N#Cc1ccc(C[C@H](C#N)C(=O)N2CCc3cc(Cl)ccc3C2)cc1 280193079 YZAZGIUALWEHNT-GOSISDBHSA-N 349.821 3.479 30 50 EGEA N#Cc1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1N1CCCC1 114994503 NTOPATQMOQUKCE-UHFFFAOYSA-N 331.379 3.287 30 50 EGEA C=CCn1c(=S)sc2c(=O)[nH]c(-c3ccc4c(c3)OCO4)nc21 108804 VBKKOJLJGCLRDA-UHFFFAOYSA-N 345.405 3.097 30 50 EGEA N#CCSc1cccc(C(=O)Nc2ccc(-c3nnc[nH]3)cc2)c1 175892724 RDMKZHZTQDWTAC-UHFFFAOYSA-N 335.392 3.340 30 50 EGEA COc1cc2ccn(Cc3cn4ccccc4c3C#N)c(=O)c2cc1F 165466571 SULOHVAVGTZLFD-UHFFFAOYSA-N 347.349 3.322 30 50 EGEA C=CCCC(=O)N1CC[C@@]2(CCCN(CCc3ccccc3)C2=O)C1 12027727 FGTHFUPNEHUKIN-NRFANRHFSA-N 340.467 3.036 30 50 EGEA C=CCc1c(C)nc(SCC(=O)Nc2ccc(Cl)cc2)[nH]c1=O 18250787 BWNHCACLHXWODD-UHFFFAOYSA-N 349.843 3.191 30 50 EGEA N#Cc1cccc(N2CCC3(CC2)C[C@@H](O)C[C@H](c2ccccc2)O3)n1 1857711115 HYHJQIQFXXPROG-RBUKOAKNSA-N 349.434 3.205 30 50 EGEA N#CCSCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 113217481 LNYZWDNAKCWKFO-HNNXBMFYSA-N 340.452 3.039 30 50 EGEA Cc1nsc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)c1C#N 253425284 CFJMJZBQEYMARX-TVQRCGJNSA-N 340.408 3.170 30 50 EGEA C[C@@H](N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1cccc(C#N)c1 340622023 UAHIOBSXZNPMGP-OXQOHEQNSA-N 333.435 3.052 30 50 EGEA C=CCc1cc(C(=O)N[C@@H](C)c2nncn2C(C)C)ccc1OC 820505701 WCZFSPDWDXOZMA-ZDUSSCGKSA-N 328.416 3.087 30 50 EGEA CC(C)(C)OC(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 169747266 JWYMEKZRPHNWGS-UHFFFAOYSA-N 337.200 3.472 30 50 EGEA O=C(C/N=C(/O)NC1CCCCC1)N1CCC=C(c2ccccc2)C1 328931601 ZSCWDYDNSPSPJS-UHFFFAOYSA-N 341.455 3.139 30 50 EGEA N#Cc1cc2ccccc2nc1NC[C@H]1CCC2(CCOCC2)CO1 882789515 WNZNSMVHPHJXAH-QGZVFWFLSA-N 337.423 3.494 30 50 EGEA Cc1c(NC(=O)Nc2ccc(C#N)cc2)c(=O)n(-c2ccccc2)n1C 2862232 MBXFSGLROPUBQC-UHFFFAOYSA-N 347.378 3.000 30 50 EGEA Cc1ccc(OCCOc2ccccc2/C=N/n2cnnc2)cc1C 2961728 XVWFSPFEQDSHDV-WSDLNYQXSA-N 336.395 3.235 30 50 EGEA O=C1N[C@@H](c2ccccc2F)C(C(=O)c2ccc(Cl)cc2)=C1O 6493934 WEOCIKMGOOZREO-AWEZNQCLSA-N 331.730 3.345 30 50 EGEA COCc1cc(C)nc(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1C#N 10231433 CPJHTNHRWKQNCZ-CHWSQXEVSA-N 347.484 3.005 30 50 EGEA C=CCN(Cc1cccnc1)C(=O)CC(=O)Nc1cc(C)cc(C)c1 65428246 NTCCXPYOVXANAI-UHFFFAOYSA-N 337.423 3.242 30 50 EGEA N#Cc1ccc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)nc1 72137211 JDSRQLWGXFJBQA-HMXCVIKNSA-N 330.435 3.020 30 50 EGEA COc1cccc(/C=C/C(=O)c2ccc(N3C(=O)C=CC3=O)cc2)c1 74941617 SRJPVKMPXKIDDY-BJMVGYQFSA-N 333.343 3.021 30 50 EGEA O=C(/C=C/c1ccc2c(c1)OCCO2)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 169944670 PYGVKCPJCUHDCD-NQKYJMEXSA-N 340.419 3.371 30 50 EGEA C(#Cc1cnn(-c2ccccc2)c1)CN1CCC(c2ncco2)CC1 2325771739 LOVYVAHUWJXIRB-UHFFFAOYSA-N 332.407 3.091 30 50 EGEA C#CCCC1(CCC(=O)NC2(c3ccccc3)CCN(C)CC2)N=N1 2325886399 VSUDNRKXDGAPHF-UHFFFAOYSA-N 338.455 3.079 30 50 EGEA Cc1ccc(S(=O)(=O)/N=C2/C=C(Cl)C(=O)c3ccccc32)cc1 100301997 HEXZPWGZGDGCEG-MNDPQUGUSA-N 345.807 3.492 30 50 EGEA CC(C)(C)O/C(O)=N/CC/C(O)=N/CC1CCN(CC(F)F)CC1 328591879 FOVDBLUIFVNCPP-UHFFFAOYSA-N 349.422 3.039 30 50 EGEA CCc1nnc(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)o1 253419002 GLXHBCZOGGBSMS-UHFFFAOYSA-N 336.399 3.041 30 50 EGEA COc1ccccc1N1CCN(Cc2cc(C#N)n(C)c2)CC1(C)C 72146209 RVIXQZPSPHMRLZ-UHFFFAOYSA-N 338.455 3.006 30 50 EGEA CN1CC[C@@H](CN/C(O)=N/CCC2=CCCC2)[C@@H]1c1cccnc1 328636687 VQMUNIMHOLJXQE-ROUUACIJSA-N 328.460 3.078 30 50 EGEA O=C1CCCc2nc(O)c(C(O)=Nc3cccc4c3OCCC4)cc21 329865328 UDWZLLSZXMWFAG-UHFFFAOYSA-N 338.363 3.268 30 50 EGEA COc1cccc(CNc2ncccc2OCCCC#N)c1OC 162247458 CVPISFZXTGLALW-UHFFFAOYSA-N 327.384 3.393 30 50 EGEA Cc1ccc(S(=O)(=O)OCCCNc2ccc(C#N)cc2)cc1 148007930 DMKUNHJZZHMFFE-UHFFFAOYSA-N 330.409 3.074 30 50 EGEA C#CCCC1(CCNC(=O)C2(CN3C[C@H]4CC[C@H]3C4)CCCC2)N=N1 1875381424 UTCYPHGYKFOLPQ-IRXDYDNUSA-N 342.487 3.113 30 50 EGEA CCc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)s1 108073 TVFAUPFMXXIZAH-KRWDZBQOSA-N 331.437 3.451 30 50 EGEA COC(=O)C1=C(C)N/C(=C/c2cccc(Oc3ccccc3)c2)C1=O 4813084 JSGRRLWSAFRRFE-SFQUDFHCSA-N 335.359 3.439 30 50 EGEA C=CCN1CCN(C(=O)c2cc(Br)c(CC)s2)CC1 20191201 HIEUXEGYRBYQEI-UHFFFAOYSA-N 343.290 3.017 30 50 EGEA CS[C@H](C)/C(O)=N/[C@@H](c1nc(C(C)C)no1)C1CCOCC1 328611406 LIYIPKOEGATYRM-ZYHUDNBSSA-N 327.450 3.369 30 50 EGEA C#CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3C2CCCC2)cc1 72115586 CVFZMOVOBPQYBM-KRWDZBQOSA-N 335.407 3.484 30 50 EGEA N#Cc1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 185460638 JSJOJJKPKMFBIL-UHFFFAOYSA-N 348.318 3.032 30 50 EGEA CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)s1 1857787007 WYSBPZBLASTKER-UHFFFAOYSA-N 325.239 3.394 30 50 EGEA C=CCOC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1OC 2910621 CZFCCIDFKBIAEU-SAPNQHFASA-N 337.375 3.195 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1nc(C)cs1 4542654 SHPYMCDBMFKDCH-OAHLLOKOSA-N 346.452 3.229 30 50 EGEA C=CCN(CC=C)S(=O)(=O)CCc1ccc(C(F)(F)F)cc1 225832406 XSICUCKPCFQVBH-UHFFFAOYSA-N 333.375 3.252 30 50 EGEA C[C@@H]1CN(C(O)=Nc2cn(Cc3ccccc3)nn2)[C@H]2CCCC[C@@H]12 330275698 LWFFLALCZKWVCX-PVAVHDDUSA-N 339.443 3.382 30 50 EGEA C[C@H]1C[C@@H]2[C@H]([C@H](O)C[C@]3(C)[C@H]2CC[C@]3(C)O)[C@]2(C)CCC(=O)C=C12 257357101 LZRQDFQQYIQZLG-ZTMNUAMUSA-N 332.484 3.486 30 50 EGEA Cc1cc(C#N)ccc1-c1cccc(C(=O)N[C@H]2CN3CCC2CC3)c1 299782056 GQRABFBRVLWIRE-NRFANRHFSA-N 345.446 3.358 30 50 EGEA C#CCCC1(CCC(=O)NCC2(c3ccccc3)CCOCC2)N=N1 952883245 YFYUBATUEYXAMY-UHFFFAOYSA-N 339.439 3.207 30 50 EGEA CCOc1cccc(CCN=c2[nH]c3c(cc2C#N)CSC3)c1 1875305208 MKUQDPMAIOLXGK-UHFFFAOYSA-N 325.437 3.175 30 50 EGEA C#CCCC1(CCC(=O)NC[C@H]2CCCc3sc(C)nc32)N=N1 2325886144 XNOLIHIANLCDQW-CYBMUJFWSA-N 330.457 3.343 30 50 EGEA Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O 242648757 RGGFUBMUOVFZEF-UHFFFAOYSA-N 347.440 3.090 30 50 EGEA CC(C)n1cc(C#N)c(NC(=O)CCc2ncc(C(C)(C)C)o2)n1 193725818 KBUNEYFKTOWCEF-UHFFFAOYSA-N 329.404 3.192 30 50 EGEA C=CCC(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2=O)C1 12439368 DLKQRZFPJSTCDA-OAQYLSRUSA-N 340.467 3.036 30 50 EGEA N/C(=N/OC(=O)/C=C/c1ccccc1)c1ccc(Br)cc1 18172992 BJBNWVXOGJHRLV-IZZDOVSWSA-N 345.196 3.326 30 50 EGEA CC(=O)N[C@@H]1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118918374 IGQWGSCTFRUHTN-GHMDXEKNSA-N 343.467 3.202 30 50 EGEA Cn1nnc2c(/C(O)=N/[C@@H]3c4ccccc4CCC3(C)C)ccnc21 328836902 XPFIXBIIPITRKH-MRXNPFEDSA-N 335.411 3.382 30 50 EGEA N#Cc1c(N)c(C(=O)c2ccc(Br)cc2)n2ccccc12 192048 VADMXOZPLCPNDT-UHFFFAOYSA-N 340.180 3.387 30 50 EGEA COc1ccc(C(=O)c2sc(NC(C)C)c(C#N)c2N)cc1OC 59606777 BGNDMTJRKPAFAD-UHFFFAOYSA-N 345.424 3.270 30 50 EGEA COc1ccccc1[C@@H](C#N)NC(=O)c1ccoc1Br 225561375 QKJKHPUUBKDDSD-LLVKDONJSA-N 335.157 3.045 30 50 EGEA CS[C@H](CO)[C@H](C)Nc1c(C#N)cnc2c(F)c(F)c(F)cc12 281080922 BUWMOXHRVHPELH-WRWORJQWSA-N 341.358 3.048 30 50 EGEA Cc1ccc([C@@H]2CN(C(=O)c3cccc(C#N)c3)C[C@H]2N(C)C)cc1 77485865 FQJNGGXKAIQAIA-VQTJNVASSA-N 333.435 3.037 30 50 EGEA CCOc1ccc(NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1C#N 97436894 DBKULWVFCNKAKD-ZDUSSCGKSA-N 339.399 3.092 30 50 EGEA CN(CCN(C)N=Cc1ccc(F)cc1)N=Cc1ccc(F)cc1 254515048 UWNZCQKEYMUFLY-UHFFFAOYSA-N 330.382 3.196 30 50 EGEA N#CCCn1ccc(NC(=O)Nc2cc(CC3CCCCC3)n[nH]2)n1 192267016 MQSMLSWGZYCQRT-UHFFFAOYSA-N 341.419 3.287 30 50 EGEA Cc1noc(C(C)(C)/N=C(/O)Nc2ccnn2[C@@H](C)CC(C)C)n1 330581965 QWNOPPXVSLITHH-NSHDSACASA-N 334.424 3.443 30 50 EGEA COc1ccc(N(C(C)=O)c2nc(C)cc(C)c2C#N)c(OC)c1 93581 LEGPVHOKWASUAN-UHFFFAOYSA-N 325.368 3.272 30 50 EGEA C[C@H]1CCCCN1C(=O)c1ccc(N=C(O)c2cccc(O)n2)cc1 328886032 ZLRTWGXSCPDIAR-ZDUSSCGKSA-N 339.395 3.438 30 50 EGEA CCn1ncc(-c2c(C)c(-c3ccc(O)cc3)nc(N)c2C#N)c1C 71416183 FLTKLFLINYYCIZ-UHFFFAOYSA-N 333.395 3.408 30 50 EGEA Cc1nc(N2CCc3c(ncn3-c3ccc(F)cc3)C2)ccc1C#N 487759212 HZJUAALGZPMOBV-UHFFFAOYSA-N 333.370 3.149 30 50 EGEA Cc1nc(-c2ncccn2)sc1C(=O)OCCCC(C)(C)C#N 170615770 MJRGIDKYXGYBJO-UHFFFAOYSA-N 330.413 3.395 30 50 EGEA N#Cc1cccc(OCCn2ccnc2[C@@H](O)c2ccc(F)cc2)c1 189525558 CISUICKEWYYIPI-SFHVURJKSA-N 337.354 3.055 30 50 EGEA N#Cc1cc(C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)ccn1 192803477 SLGFGAWEOAILMH-UHFFFAOYSA-N 329.319 3.342 30 50 EGEA O=C(/C=C\c1ccc(I)o1)c1ccncc1 4566987 DLNDQZCGGQDJGL-IWQZZHSRSA-N 325.105 3.175 30 50 EGEA COc1cccc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(C)=O)c1 484402 RZJSYJZQEQNCLV-SFHVURJKSA-N 338.432 3.214 30 50 EGEA COc1ccc(Cl)cc1C(=O)O/N=C(\N)c1ccc(Cl)cc1 4685126 YITGQBUARUGEIR-UHFFFAOYSA-N 339.178 3.479 30 50 EGEA C=C(C)CN(CC)C(=O)CCCc1nc(-c2cccc(OC)c2)no1 55195883 DFRMJBYRRTZAHJ-UHFFFAOYSA-N 343.427 3.493 30 50 EGEA COc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1O 25758083 JGCGVVLDMMVELZ-UHFFFAOYSA-N 339.391 3.102 30 50 EGEA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1/C(O)=N/[C@@H]1CCC[C@@H](C)CC1 329211427 ZEPFJHSHIOKYLW-HSFUPAIVSA-N 338.492 3.385 30 50 EGEA Cc1cc(C#N)ccc1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328628373 NRVVAPRENAJOFP-ICSRJNTNSA-N 348.450 3.027 30 50 EGEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/C(O)=N/[C@H](C)c1cccnc1 328613270 RKCWNCXWURRAPG-PJQXDXOGSA-N 328.416 3.227 30 50 EGEA C=CCCO[C@H](C)C(=O)Nc1cc2ccc(Br)cn2n1 170614356 JGGALDOQTWNTPH-SNVBAGLBSA-N 338.205 3.017 30 50 EGEA O=C(O)c1ccc(/C=N/n2c(-c3ccc(F)cc3)n[nH]c2=S)cc1 1283136 RFEPNBQYUDXYIE-GIJQJNRQSA-N 342.355 3.327 30 50 EGEA COc1ccc(-c2nnc(S)n2/N=C/c2ccc(C)s2)cc1 1300165 CATSYAPQYAXXMN-CXUHLZMHSA-N 330.438 3.495 30 50 EGEA COc1cc(CC(=O)Nc2cc(C)c(N(C)C)cc2C#N)ccc1C 253432255 XQXUCJHHASKXHZ-UHFFFAOYSA-N 337.423 3.431 30 50 EGEA CC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(O)c(Cl)c1 2881764 UURUTQSYIFTPCY-KRWDZBQOSA-N 342.782 3.400 30 50 EGEA COc1cccc([C@@H](/N=C(/O)c2snnc2C)c2ccccn2)c1 328587111 DZTQZVNFDPKICT-OAHLLOKOSA-N 340.408 3.344 30 50 EGEA COc1cccc([C@H]2C[C@@H](O)CN2Cc2ccc(F)c(C#N)c2)c1 282047050 GFQLFACQPKBLET-VQIMIIECSA-N 326.371 3.014 30 50 EGEA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@]12C 257359027 XYVVSFGOAQGVRE-KQFCJCSDSA-N 328.452 3.470 30 50 EGEA C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc(C#N)c[nH]1 187101467 BTTGYDSUJOJOSV-BDJLRTHQSA-N 329.787 3.142 30 50 EGEA CCOc1ccc(/C=N/N2CCN(c3ccccc3OC)CC2)cc1 46767 FRJFTKDLHMHBOO-LTGZKZEYSA-N 339.439 3.250 30 50 EGEA N/C(Cc1ccc([N+](=O)[O-])cc1)=N/OC(=O)c1ccc2ccccc2c1 18173054 QVTSUBMFNQGAPL-UHFFFAOYSA-N 349.346 3.420 30 50 EGEA aggregator N#Cc1ccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)F)c(F)c1 344337040 CDOIUFHMJGIDFC-IAGOWNOFSA-N 334.341 3.024 30 50 EGEA Cc1nnc([C@]23CCC[C@H]2CN(c2c(F)cc(C#N)cc2F)C3)o1 912374329 ZUYGAUCLQNGXRJ-SJCJKPOMSA-N 330.338 3.086 30 50 EGEA CC1(C)CCN(/C(O)=N/[C@@H]2CCO[C@]3(CCSC3)C2)CCS1 328589014 ZYOUXNYHRHBVJZ-CZUORRHYSA-N 344.546 3.173 30 50 EGEA COc1ccc(N[C@H]2CCCN(c3cccc(C#N)n3)C2)cc1OC 72122276 JBUXBAWHDFANOD-INIZCTEOSA-N 338.411 3.051 30 50 EGEA CCc1ccc2occ(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)c2c1 408516494 ZWIWBWHSBHZICS-AWEZNQCLSA-N 333.347 3.351 30 50 EGEA Cn1c([C@H](C#N)C(=O)c2coc(Br)c2)nc2ccccc21 122125142 JPNPOORSFGABJK-SNVBAGLBSA-N 344.168 3.419 30 50 EGEA CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 4853385 KBDYMVJKPZEWRG-INIZCTEOSA-N 346.383 3.460 30 50 EGEA C=CCN(Cc1ccccc1OC)C(=O)CCn1ccnc1CC 55415111 AHAXDAFYBNAAAD-UHFFFAOYSA-N 327.428 3.059 30 50 EGEA C=CCN(CC=C)C(=O)[C@]1(C)CC1(Br)Br 2770720 OVASDGHEJYVBFT-JTQLQIEISA-N 337.055 3.083 30 50 EGEA COC(=O)[C@@H]1CCN(CCCC2(C#N)CCOCC2)c2ccccc21 282031328 QAPXYWMGLLBCOV-QGZVFWFLSA-N 342.439 3.254 30 50 EGEA N#CC1(CCCN2CCC[C@@]2(CO)Cc2ccccc2)CCOCC1 374072489 QIGYDJSPSSAAGN-NRFANRHFSA-N 342.483 3.157 30 50 EGEA CCC#CCN1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 91475229 QWLBQDGIQTTZBX-UHFFFAOYSA-N 338.495 3.347 30 50 EGEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1CC[C@H]2C(=O)CO 257346379 ZDYFFPNLCUDFDB-ZPMOIGASSA-N 328.452 3.472 30 50 EGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)cc1 19285944 ZKWLPRVCZKURKF-SFHVURJKSA-N 341.407 3.226 30 50 EGEA COc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)c(OC)c1 90119 TXPNSWZBGZZIID-UHFFFAOYSA-N 345.362 3.045 30 50 EGEA Cc1nc2ccc(NC(=O)CCCCOc3cccc(C#N)c3)cn2n1 280709748 GKEHHCIQHSWESZ-UHFFFAOYSA-N 349.394 3.097 30 50 EGEA C=CCc1cc(C=O)c(OC(=O)c2ccc3c(c2)OCO3)c(OC)c1 336966 QIKVMIGZLJTOSI-UHFFFAOYSA-N 340.331 3.184 30 50 EGEA CC1(C#N)CCN(/C(O)=N/C[C@@H]2CCCN2C2CCCCC2)CC1 328588007 LTQOIJJIGGHVCQ-KRWDZBQOSA-N 332.492 3.323 30 50 EGEA C[C@H](c1ccccc1)N1CC[C@H](N/C(O)=N/CC2(O)CCCCC2)C1 329034978 CBYVQJHACVZQAN-AEFFLSMTSA-N 345.487 3.021 30 50 EGEA C=C(C)COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 820530614 GSYQKXJWHJKWEF-OAHLLOKOSA-N 342.439 3.371 30 50 EGEA CC1(C)OB(c2ccc(NC(=O)NC3CCCC3)cc2)OC1(C)C 169745893 XIRYAWDMLJRGHR-UHFFFAOYSA-N 330.237 3.050 30 50 EGEA in-vitro C=CCN(c1ccc(C(=O)Nc2ccccc2F)cc1)S(C)(=O)=O 4839764 LNYYBUDVTLKBCY-UHFFFAOYSA-N 348.399 3.030 30 50 EGEA C#CCOc1ccc(N(C)C(=O)c2ncccc2Br)cc1 225420014 HPLQUMBSSFSZOX-UHFFFAOYSA-N 345.196 3.133 30 50 EGEA CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(CN2CCCC2)cc1 225503117 CCYHTBDRRVDVBD-UHFFFAOYSA-N 333.435 3.426 30 50 EGEA COc1ccc(/C=N/OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 100626553 KHBNNPYVSGEVEI-JRSYJKOESA-N 344.455 3.473 30 50 EGEA N#Cc1c(N2C(=O)C=CC2=O)sc2c1CC[C@@H](c1ccccc1)C2 22866922 JUWZLAKOOZBZCR-CYBMUJFWSA-N 334.400 3.322 30 50 EGEA C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 242038588 VMJCRDFZATXZJK-VFOQYASISA-N 340.423 3.044 30 50 EGEA N#Cc1cc(N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)ccn1 284945961 JNYZZTOMEJSJPK-JKSUJKDBSA-N 333.313 3.284 30 50 EGEA N#Cc1ccccc1N1CCN(CCCCOc2ccccc2)CC1=O 92046963 QIKUHLUOHSMBPW-UHFFFAOYSA-N 349.434 3.066 30 50 EGEA CCCc1c2c3ccccc3nc-2c2c(n1N)CC(C)(C)C/C2=N\N 334157364 AFNYUDBVDUTVPA-ZVHZXABRSA-N 335.455 3.443 30 50 EGEA C=C[C@@H]1C[N@+]2(C)CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 252441359 SJTSZVLGFLZBFK-VFCFUDEOSA-N 339.459 3.318 30 50 EGEA Cc1c(O[C@H]2CCCCO2)ccc(B2OC(C)(C)C(C)(C)O2)c1F 169747288 RPWLRVFHYWWVCT-HNNXBMFYSA-N 336.212 3.339 30 50 EGEA in-vitro COc1cccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)c1 119033 BGBNRKSISXZSEH-KEBDBYFISA-N 339.420 3.228 30 50 EGEA COc1ccc(N2CCN(c3oc([C@@H]4C[C@@H]4C)nc3C#N)CC2)cc1 1775965210 MIUWAYATUKYPJE-XJKSGUPXSA-N 338.411 3.005 30 50 EGEA C[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2C#N)C1 572071 HMFHQOHXPARWLI-MRVPVSSYSA-N 331.353 3.498 30 50 EGEA CCN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 4991315 XEEPVXJJSPOPPF-UHFFFAOYSA-N 340.807 3.224 30 50 EGEA OCC#Cc1csc(CN(Cc2ccsc2)C[C@H]2CCCO2)c1 55074673 YKTVVEVZBWKZMU-QGZVFWFLSA-N 347.505 3.335 30 50 EGEA C=C(C)COc1ccc(C(=O)NCc2ccccc2-n2cncn2)cc1 55245082 WQJPXYNGRQNROB-UHFFFAOYSA-N 348.406 3.152 30 50 EGEA C=C(C)COc1ccccc1C(=O)N[C@H](CC(C)C)c1ncnn1C 55254686 SRFNDNGSRBHXHL-MRXNPFEDSA-N 342.443 3.287 30 50 EGEA CCCCCCCCCC[C@H](C(=O)O)[C@]1(C(=O)O)CCC(=O)O1 38139796 TUXHHVJPGQUPCF-DYVFJYSZSA-N 328.405 3.378 30 50 EGEA biogenic,in-vitro N#Cc1cccnc1N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72145010 FZNKOFTZJZXTIX-XUVXKRRUSA-N 330.435 3.020 30 50 EGEA COc1c(C#N)cc(I)cc1C(F)(F)F 95828966 METMOUVZRLQWPY-UHFFFAOYSA-N 327.043 3.190 30 50 EGEA in-vitro C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1(CO)CCC1 170594267 GMOLRZMUNWZLPK-UHFFFAOYSA-N 343.345 3.163 30 50 EGEA C[C@@]12CCC(=O)[C@@H]1[C@@H]1C[C@@H]3O[C@@]34CCC3(C[C@]4(C)[C@H]1CC2)OCCO3 253531167 MUOSCBNRUUJMHQ-KPQYJEARSA-N 346.467 3.473 30 50 EGEA CC[C@H](Oc1ccccc1)C(=O)O/N=C(\N)c1ccc(Cl)cc1 4986154 DXPGXQMYLVFOBN-HNNXBMFYSA-N 332.787 3.361 30 50 EGEA C=CCN(Cc1cccc(OC)c1)C(=O)c1csc(CN(C)C)n1 55074260 WGVMFFIIYXCYGU-UHFFFAOYSA-N 345.468 3.042 30 50 EGEA C#CCN(Cc1ccc(C)cc1)C(=O)CC(=O)Nc1ccc(C)cc1 65418590 OEUVMCMLCPGAFX-UHFFFAOYSA-N 334.419 3.294 30 50 EGEA COc1cc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)ccc1F 71764476 XATOBVWZCYQWEM-UHFFFAOYSA-N 337.358 3.357 30 50 EGEA COc1ccc(-c2nnc(S)n2N=Cc2ccc(C)s2)cc1 252429320 CATSYAPQYAXXMN-UHFFFAOYSA-N 330.438 3.495 30 50 EGEA COc1ccccc1[C@H](C#N)NC(=O)c1sc(CC2CC2)nc1C 170608858 OPOCBUOPPMJMLI-AWEZNQCLSA-N 341.436 3.407 30 50 EGEA CCOc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(F)cc1 459693 VUFQNDJJMBORPR-LSHDLFTRSA-N 340.358 3.277 30 50 EGEA N#CCCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C23CC3)cc1 2325783819 DZHFOQXSDDUSAJ-RDJZCZTQSA-N 330.453 3.096 30 50 EGEA C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccc(F)cc1F 348009352 YSXSOAOURXBANA-SWLSCSKDSA-N 339.345 3.396 30 50 EGEA COc1ccccc1/C=C/c1nc(C#N)c(NC[C@@H]2CCCO2)o1 4850998 GFHUHKKYJXSRFY-VFNNOXKTSA-N 325.368 3.316 30 50 EGEA CCC[C@H](C)c1cc(NS(=O)(=O)c2cc(C#N)ccc2C)[nH]n1 159881000 KGYVKFZVMOFHKZ-NSHDSACASA-N 332.429 3.294 30 50 EGEA N#Cc1ccc(CC(=O)NC2[C@H]3CC[C@H]2Cc2ccccc2C3)cc1 286585584 ACTQQKPHNCOEFA-PMACEKPBSA-N 330.431 3.411 30 50 EGEA CC1CCN(CCOc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 169972188 HOYXWNQGZKBUHW-UHFFFAOYSA-N 345.292 3.097 30 50 EGEA O=S1(=O)CCC[C@@H]1/C=N/N(Cc1ccccc1)c1ccccc1 5376102 DIZBFEDNKUWDHF-XWALVKJWSA-N 328.437 3.256 30 50 EGEA N#CC1(CS(=O)(=O)NCc2c(O)ccc3ccccc23)CCCC1 1775993696 VRDJLCWBCGUSPF-UHFFFAOYSA-N 344.436 3.049 30 50 EGEA C#CCCC1(CCNC(=O)Cc2sc(CCCC)nc2C)N=N1 2325891545 NPDHOHBXXQJKJI-UHFFFAOYSA-N 332.473 3.418 30 50 EGEA CCCCCCCCNC(=O)Cc1c(O)c2ccccc2[nH]c1=O 2285822 MKJWCVDVBAHFTE-UHFFFAOYSA-N 330.428 3.253 30 50 EGEA C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCC=C)cc1 6697595 KQYYDVBEYGHBNZ-UHFFFAOYSA-N 336.391 3.420 30 50 EGEA C=CCc1cc(-c2nccn2Cc2nccs2)cc(OC)c1O 82108026 PDVDCPFLVVHENK-UHFFFAOYSA-N 327.409 3.498 30 50 EGEA COC(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 169746407 JQJYCPNGBPJIFX-UHFFFAOYSA-N 331.004 3.079 30 50 EGEA in-vitro C=CCn1c(CNC(=O)CC)nnc1SCc1cccc(C)c1 14959942 BOVHVZPJDRWVBV-UHFFFAOYSA-N 330.457 3.091 30 50 EGEA CC(C)n1cc(C#N)c(NC(=O)[C@H]2CCOc3ccc(Cl)cc32)n1 253418881 CBHBEKUSAXUKAA-ZDUSSCGKSA-N 344.802 3.494 30 50 EGEA Cc1ccc(C[C@@H]2CCCN2S(=O)(=O)c2sccc2C#N)cc1 2325819158 WYTIXSOAJUFFBL-INIZCTEOSA-N 346.477 3.324 30 50 EGEA C=CCn1cc(-c2cc(-c3ccc(OC)cc3)nc(N)c2C#N)cn1 67473338 USJMZTGXTCXRCC-UHFFFAOYSA-N 331.379 3.261 30 50 EGEA N#Cc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 1390034 CRAMCYFAQIBEOO-UHFFFAOYSA-N 325.799 3.174 30 50 EGEA N#Cc1cccc(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)c1 95506058 IHQVWUNOBJWQFT-GOSISDBHSA-N 334.423 3.185 30 50 EGEA CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccc(C#N)cc2)CC1 255189359 PHONJTARMNLENE-QAQDUYKDSA-N 329.444 3.484 30 50 EGEA N#CCCN(Cc1ccco1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 192610410 JSVLAVIRWQUGTC-IBGZPJMESA-N 348.406 3.063 30 50 EGEA C/C(O)=N/S(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 439524 MZUCGUFYHJDMIU-UHFFFAOYSA-N 349.437 3.161 30 50 EGEA C=CCN1CCN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 12380419 PBDGMJGGPPMKGS-INIZCTEOSA-N 330.472 3.082 30 50 EGEA C=CCNCC[C@H]1CCC(=O)N1Cc1ccccc1C(F)(F)F 14955594 MAXAYSPJHNQPDJ-CQSZACIVSA-N 326.362 3.362 30 50 EGEA C[C@@H]1CCCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)C1 229994715 HCQODXJXLKLAFK-KJZYVHILSA-N 347.499 3.245 30 50 EGEA biogenic N#Cc1cccnc1N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 128257278 PDBYCCVVOOCCRF-HUUCEWRRSA-N 333.313 3.284 30 50 EGEA C#C[C@@]1(O)CCC[C@H](NC(=O)Nc2cc(F)cc(Cl)c2F)C1 2325782067 UCNMPWDTPYXBMI-ZUZCIYMTSA-N 328.746 3.047 30 50 EGEA COc1ccc(C)cc1/N=C(\S)N1CCN(c2ccccn2)CC1 8682729 UYUMUOMARMYKFR-UHFFFAOYSA-N 342.468 3.138 30 50 EGEA CCOC(=O)[C@H](C#N)c1nnc(-c2ccccc2)c(-c2ccccc2)n1 23114656 KDWCQZSXFUCTDL-MRXNPFEDSA-N 344.374 3.376 30 50 EGEA Cn1cc(-c2cc(-c3cc(F)c(F)c(F)c3)nc(N)c2C#N)cn1 71749911 JBMNGBUNFFPGNS-UHFFFAOYSA-N 329.285 3.020 30 50 EGEA COc1cccc(CNC(=O)c2cccc(SCC#N)c2)c1OC 175572726 PDYRYVCJIJHQAC-UHFFFAOYSA-N 342.420 3.249 30 50 EGEA Cc1ccncc1/C(O)=N/[C@@H](c1c(C)nn(C)c1C)C(F)(F)F 331180190 LIBWHPZAGUJEJO-ZDUSSCGKSA-N 326.322 3.349 30 50 EGEA C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC/C2=C/CO 257356028 FIMYJWIQTVIDQB-BCOYPQHCSA-N 328.452 3.184 30 50 EGEA C=CC[C@H]1CC=C[C@H](CCCC)N1S(=O)(=O)c1cnc(CC)[nH]1 1506400688 FSXSCNDJCBZRLT-GJZGRUSLSA-N 337.489 3.426 30 50 EGEA O=[N+]([O-])c1ccc(Cl)c(/C=N/N2CCN(c3ccccc3)CC2)c1 232132 XTUDKEPBUGXXLZ-CPNJWEJPSA-N 344.802 3.404 30 50 EGEA CC1=C(C(=O)OC(C)C)[C@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 18279592 XUWVOUIJQDCKQK-SFHVURJKSA-N 341.407 3.312 30 50 EGEA N#Cc1ccnc(N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 343242516 KULOLGWBDFDHIG-LSDHHAIUSA-N 333.313 3.284 30 50 EGEA Oc1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)cc1O 1242141 LIDVCISMPUDIDE-CAOOACKPSA-N 346.799 3.181 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)cc1 19229021 VTNYBNGREGVNLD-KRWDZBQOSA-N 341.407 3.169 30 50 EGEA Cn1ncc2c1CCCN(c1ccc(C#N)c(Br)c1)C2 952964709 WCIFFGOATGQOHK-UHFFFAOYSA-N 331.217 3.007 30 50 EGEA C#CCCC1(CCC(=O)N[C@H](C)c2ccc3nc(O)oc3c2)N=N1 2325886351 QFFIBNDDKOEOLR-LLVKDONJSA-N 326.356 3.066 30 50 EGEA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)C1=CC(=O)CC(C)(C)O1 55211875 WPWZWMUENSGEFT-UHFFFAOYSA-N 341.363 3.000 30 50 EGEA CCCn1nccc1C1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 374300855 FVQNFBRWMQCLTR-FQEVSTJZSA-N 338.455 3.078 30 50 EGEA COC(=O)c1ccc(C=Cc2ccnc(C#N)n2)c(Br)c1 1857531611 GOZKMFGBYYJLLI-UHFFFAOYSA-N 344.168 3.068 30 50 EGEA COc1ccccc1CC(=O)O/N=C(\N)Cc1cccc2ccccc12 18173059 HLPHIVACDBFVIE-UHFFFAOYSA-N 348.402 3.449 30 50 EGEA C=CCOc1ccc2c(C)cc(=O)oc2c1I 2950284 XPDBCEVMYJNAMN-UHFFFAOYSA-N 342.132 3.271 30 50 EGEA N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](CSc2ccccc2)C1 253429345 RWPJONGYKVOWLW-CYBMUJFWSA-N 340.408 3.480 30 50 EGEA Cc1nc(C)c(C/N=C(/O)CNC(=O)c2ccc(C(C)(C)C)cc2)o1 328591800 NADYXNDLPFYMIG-UHFFFAOYSA-N 343.427 3.475 30 50 EGEA C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 278870291 VFEVYZPTOGWFON-MLGOLLRUSA-N 327.340 3.063 30 50 EGEA CCOC(=O)c1cc(C2CCC2)n(-c2oc(CC(C)C)nc2C#N)n1 1875358389 URCDXQNFRVXDMP-UHFFFAOYSA-N 342.399 3.375 30 50 EGEA N#CCCCOc1cccc(NC(=O)Nc2cnn3cccnc23)c1 2325818538 IBZJKCIZTFIKLV-UHFFFAOYSA-N 336.355 3.056 30 50 EGEA C#CCCC1(CCC(=O)NCc2nc(-c3ccncc3)cs2)N=N1 2325886313 JJJGHMMNRSUBEW-UHFFFAOYSA-N 339.424 3.177 30 50 EGEA CCSc1ncc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)cn1 67867060 DWUFPZSHLREAOV-UHFFFAOYSA-N 349.419 3.477 30 50 EGEA C=CCOc1ccc(Cl)cc1CN1CCC2(CC1)CNC(=O)C2 65526823 IVEBGKGYNPBIAL-UHFFFAOYSA-N 334.847 3.007 30 50 EGEA OC(=Nc1c[nH]nc1[C@@H]1CCCN([C@@H]2CCOC2)C1)c1ccccc1 329172861 KPHXAUFUUORVDA-HZPDHXFCSA-N 340.427 3.014 30 50 EGEA CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/N2CCCCC2)C1=O 73855622 YSECHPURTOEANS-OWBHPGMISA-N 339.391 3.360 30 50 EGEA biogenic N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@](O)(C2CC2)C1 373341811 RIRNGXOYEWSBQG-OAQYLSRUSA-N 332.403 3.212 30 50 EGEA C=CCn1cc(CN[C@H]2CCCN(Cc3cccs3)C2)c(C)n1 952870318 VXDZOVDOVCJEEO-KRWDZBQOSA-N 330.501 3.193 30 50 EGEA C#CCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OCC 16246864 KJFINNGFUSDIDS-LGMDPLHJSA-N 347.370 3.442 30 50 EGEA CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 169747256 FALNYBWTRBHWID-UHFFFAOYSA-N 337.200 3.472 30 50 EGEA CC(C)(C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)nc1Cl 169794082 XBJPONGDNPXIAL-UHFFFAOYSA-N 338.644 3.019 30 50 EGEA N#Cc1ccc(N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)cc1Cl 253392206 GISCPFDVWXVZBS-YJYMSZOUSA-N 348.793 3.062 30 50 EGEA N#C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(NC(=O)C3CCC3)cn2)C1 2325781410 NHQJBMXPRQLGOI-KGLIPLIRSA-N 340.427 3.479 30 50 EGEA Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cn1 252504420 BCKOQZHERXULPW-YWPYICTPSA-N 349.221 3.211 30 50 EGEA Cc1nc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)C2=COCCC2)cs1 328638122 OXLOAPHQSPATGR-ZFWWWQNUSA-N 339.436 3.015 30 50 EGEA CC[N+](C)(CC)CC(=O)NCC(c1ccccc1)c1ccccc1 670422174 KAFVDHOOXSZSJN-UHFFFAOYSA-O 325.476 3.421 30 50 EGEA CCOc1cc(/C=N/n2cnnc2)ccc1OCc1ccccc1C#N 459838 FAIYWRAURCSCBQ-FOKLQQMPSA-N 347.378 3.010 30 50 EGEA CCC1(CC)[C@H](/N=C(/O)CN2CCc3ccccc3C2=O)C[C@H]1OC 329877895 JXWWHWWXHLRUPF-IAGOWNOFSA-N 344.455 3.235 30 50 EGEA C=CCn1cc(CN(C)Cc2nccn2Cc2ccccc2)c(C)n1 55404981 JUNXTQULDDVTGA-UHFFFAOYSA-N 335.455 3.254 30 50 EGEA CCn1cc(CN2CCCC[C@@H]2CCn2ccnc2C)cc1C#N 77436439 FUCDKQAOZHFYLK-GOSISDBHSA-N 325.460 3.329 30 50 EGEA COc1cc2c(Oc3ccc(C#N)cc3OC)ncnc2cc1F 302291878 LJHVJSIKIKPBDJ-UHFFFAOYSA-N 325.299 3.450 30 50 EGEA N#Cc1ccccc1CN1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccc1 222246006 KLTYZXZXUBVOJS-RTWAWAEBSA-N 345.446 3.181 30 50 EGEA Cc1ccc2c(C(=O)OCCNc3ncccc3C#N)ccnc2c1 2325854057 MHLQQFIHJGCTPK-UHFFFAOYSA-N 332.363 3.079 30 50 EGEA C=CCCc1ccccc1N/C(O)=N/[C@@H]1CCO[C@]2(CCOC2)C1 328589403 OTDXPGIJVLZYDB-VQIMIIECSA-N 330.428 3.469 30 50 EGEA CCCN1C(=O)CCc2cc(NC(=O)N[C@@H](CC)CC#N)ccc21 158654918 FGABCMUQOHBBMS-AWEZNQCLSA-N 328.416 3.190 30 50 EGEA CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 169746084 KETIHPKFQXFMTA-UHFFFAOYSA-N 337.200 3.472 30 50 EGEA in-vitro CC1(C)CN(CCOCCC#N)[C@@H]1c1nccn1-c1ccc(F)cc1 952891687 HCFQOYCVPSACEW-QGZVFWFLSA-N 342.418 3.325 30 50 EGEA C#C[C@]1(O)CCC[C@H](NC(=O)Nc2cc(F)cc(Cl)c2F)C1 2325782065 UCNMPWDTPYXBMI-BONVTDFDSA-N 328.746 3.047 30 50 EGEA CCOC(=O)c1c(N)sc2c1CC[C@@](C#N)(c1ccccc1)C2 287356 UXAPCTLVLBWJTE-GOSISDBHSA-N 326.421 3.457 30 50 EGEA COc1ccc(-c2noc(COc3ccc(C#N)cc3OC)n2)cc1 4384745 SPFABISVKGDQEC-UHFFFAOYSA-N 337.335 3.204 30 50 EGEA C[C@@H]1CCc2c(sc(NC(=O)CSc3nccn3C)c2C#N)C1 158892 UJXHJPRLXGCRSM-SNVBAGLBSA-N 346.481 3.209 30 50 EGEA Cc1nc(N=C(O)[C@@H]2CCCN2C2CC2)sc1SCC(=N)O 330250069 GRAPTDFCCGSWLI-JTQLQIEISA-N 340.474 3.294 30 50 EGEA Cc1ccc(C)c(NC(=O)CCn2cc(-c3cccc(C#N)c3)nn2)c1 91459435 JHPZYWCKSAGLRW-UHFFFAOYSA-N 345.406 3.462 30 50 EGEA C=C(C)COc1ccc(NC(=O)N(CC)Cc2noc(C)n2)cc1 96151839 AWLBXROVOMRKAP-UHFFFAOYSA-N 330.388 3.387 30 50 EGEA C[C@@H]1CC[C@@]23OC(=N)[C@@](C#N)([C@H]2C1)C(C#N)(C#N)[C@@H](c1ccccc1)O3 252469990 GHTRPRHOWLFKPL-JTOXWUSOSA-N 346.390 3.441 30 50 EGEA N#Cc1ccc(N2CCC[C@H](N(Cc3ccncc3)C3CC3)C2=O)cc1 192709746 NJSFJRZMBLDFAH-FQEVSTJZSA-N 346.434 3.113 30 50 EGEA CC1=C(C(=O)OC(C)C)[C@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 19315066 FNXLZWXKBJJXEO-SFHVURJKSA-N 341.407 3.312 30 50 EGEA C#CCCC1(CCC(=O)N[C@H](CN2CCCC2)c2ccccc2)N=N1 952881354 LQMNXZLBWLWYRW-GOSISDBHSA-N 338.455 3.295 30 50 EGEA Cc1c(/N=C/c2ccccc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C 61135 UYEAZBSMOCQYIQ-XDHOZWIPSA-N 336.351 3.143 30 50 EGEA C#CCCC1(CC(=O)N(C)Cc2sccc2Br)N=N1 2325900054 JEVSDRHRGLNFNK-UHFFFAOYSA-N 340.246 3.435 30 50 EGEA CN1CCC(CCC(=O)N2CCC(C#N)(c3ccccc3)CC2)CC1 426441704 DZOKNFVUTYXUIV-UHFFFAOYSA-N 339.483 3.192 30 50 EGEA C[C@H](c1ccc2c(c1)OCCO2)N(C)Cc1cc(C#CCO)cs1 952965285 GCIRVKCCVQDIRT-CQSZACIVSA-N 343.448 3.056 30 50 EGEA C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 1772820457 ZYKRXWIPMUJNME-FVCCQREESA-N 346.423 3.010 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H](CN2CCCC2)c2ccccc2)N=N1 952881356 LQMNXZLBWLWYRW-SFHVURJKSA-N 338.455 3.295 30 50 EGEA C#CCCC1(CCC(=O)N2CC[C@@H](c3ccccc3OC)C2)N=N1 952879287 CTYIGXXJMCSOLL-OAHLLOKOSA-N 325.412 3.367 30 50 EGEA C=C(CC(C)C)C(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1 952992900 LHERAMZKJKYECY-UHFFFAOYSA-N 328.456 3.352 30 50 EGEA COc1cc(CO)c(Br)cc1OCc1ccccc1C#N 469730 COPOBWZAZYGLTR-UHFFFAOYSA-N 348.196 3.401 30 50 EGEA C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10314604 DGISYTSYCOCFBO-UHFFFAOYSA-N 344.436 3.020 30 50 EGEA O=C1Nc2ccccc2[C@H]1N/N=C/c1cc(Cl)cc(Cl)c1O 22343453 UBXRDFCZBUFPDB-BPGOPIFBSA-N 336.178 3.316 30 50 EGEA Cc1ccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 1429570 MMBCUIQIPADEBZ-OAHLLOKOSA-N 326.440 3.431 30 50 EGEA N#Cc1c(F)cccc1C(=O)N1CCC[C@]2(C1)OCc1ccccc12 368798721 SSROTCDFVBJJOU-HXUWFJFHSA-N 336.366 3.359 30 50 EGEA Brc1ccccc1C=NN1CCN(c2ccccn2)CC1 238923851 PNRMBEJYEILTKO-UHFFFAOYSA-N 345.244 3.000 30 50 EGEA CCOc1ccc(NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1C#N 97436895 DBKULWVFCNKAKD-CYBMUJFWSA-N 339.399 3.092 30 50 EGEA CN(Cc1nccs1)C(=O)CC1=C(c2ccccc2)CCC1=O 823625641 MRBVSXBCQRSHPA-UHFFFAOYSA-N 326.421 3.308 30 50 EGEA C=CCSc1nc(O)c2c(n1)NC(=O)C[C@@H]2c1c(F)cccc1F 820497027 XZIDTAPMZNSLAQ-MRVPVSSYSA-N 349.362 3.213 30 50 EGEA CC(C)(C)OC(=O)CC1(NCc2cccc(C#N)c2F)CCOCC1 408523453 KEQQYNNJIWMHIT-UHFFFAOYSA-N 348.418 3.068 30 50 EGEA N#Cc1ccc(NC(=O)c2ncoc2-c2ccc(F)cc2)cc1C#N 185977068 JIMRVYZOTKVOBC-UHFFFAOYSA-N 332.294 3.476 30 50 EGEA COc1ccc(NC(=S)N/N=C/c2ccc(N(C)C)cc2)cc1 2506454 PXOYWTLNOSMXTP-LDADJPATSA-N 328.441 3.082 30 50 EGEA Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1 257365468 ABZULFQDNCVWBW-CFSSXQINSA-N 338.455 3.337 30 50 EGEA C=CCn1c(CN)nnc1SCc1cc(C2CCCCC2)no1 426730412 LUUYTVORFQEACO-UHFFFAOYSA-N 333.461 3.251 30 50 EGEA C#CCOc1ccc(CNC(=O)c2ccc(-c3cnco3)cc2)cc1 1460188680 RFUZEWKXXHHRHA-UHFFFAOYSA-N 332.359 3.284 30 50 EGEA COc1cc(/C=C2/C(=O)ON=C2C)ccc1OC(=O)c1cccs1 70559 ZYEZEFAYGBTETR-XYOKQWHBSA-N 343.360 3.292 30 50 EGEA Cc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2ccccc2C)S1 18126636 HFWGFIWUUIHVID-XNHPLOEXSA-N 337.448 3.468 30 50 EGEA C#CCCC1(CCC(=O)N2CC[C@H](c3ccccc3OC)C2)N=N1 952879283 CTYIGXXJMCSOLL-HNNXBMFYSA-N 325.412 3.367 30 50 EGEA Cn1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3C2=O)c2ccccc21 216627066 ARZGZXFGEJGXLD-QGMBQPNBSA-N 349.342 3.258 30 50 EGEA biogenic COc1cccc(/C=N/n2c(S)nnc2COc2ccccc2)c1 4900872 HHEOHQUQQYXISD-WOJGMQOQSA-N 340.408 3.037 30 50 EGEA COc1nc(N)c2c(c1C#N)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1 19874997 HSRXKWLHMUXPOA-OAHLLOKOSA-N 346.390 3.109 30 50 EGEA C=CCOC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Cl 4794922 OVKBUTCETXUPCM-RVDMUPIBSA-N 331.755 3.433 30 50 EGEA C=CCN1CCN(C(=O)CCCOc2ccc(Cl)cc2C)CC1 20352746 NIGWVJQMZGUURQ-UHFFFAOYSA-N 336.863 3.138 30 50 EGEA Cc1c(/C(O)=N/C2CCC(F)(F)CC2)cnn1C1CCOCC1 329129306 NTFVPJLHVNIKQX-UHFFFAOYSA-N 327.375 3.426 30 50 EGEA Cc1c([C@H](C)NCC(=O)N[C@](C)(C#N)C2CC2)oc2ccccc12 183570539 FWHPMGGRBVQGLZ-ORAYPTAESA-N 325.412 3.200 30 50 EGEA Cc1cc(N2C[C@H](c3n[nH]c(C(C)C)n3)[C@@H](C3CC3)C2)c(C#N)cn1 685940476 BOVMGROBQSOJMJ-CVEARBPZSA-N 336.443 3.133 30 50 EGEA COc1ccc(C(=O)/C=C/Nc2cccc([N+](=O)[O-])c2)cc1OC 318697 PMWKRTMGYSIPLD-CMDGGOBGSA-N 328.324 3.421 30 50 EGEA O=[N+]([O-])c1cccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)c1 5996510 JANQRWJGMVAGKM-RQZCQDPDSA-N 343.343 3.163 30 50 EGEA N/C(=N\OC(=O)c1ccccc1CCc1ccccc1)c1cccnc1 4806195 NPJGUKSKHBTTET-UHFFFAOYSA-N 345.402 3.344 30 50 EGEA CC1(C)OB([C@@H]2CCCN(C(=O)c3nccs3)CC2)OC1(C)C 1875370570 UJUKVHGCBCAXDF-GFCCVEGCSA-N 336.266 3.232 30 50 EGEA C#CCCC1(CCN2C(=O)N[C@@](CCC(C)C)(C3CC3)C2=O)N=N1 2325891648 TVECGBSSLKMSLW-SFHVURJKSA-N 330.432 3.089 30 50 EGEA CN1C(=O)N(C)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O 974761 OESLMOPPNAGXHG-INIZCTEOSA-N 343.383 3.276 30 50 EGEA COc1ccccc1[C@@H]1C[C@@H]1NC(=O)[C@H](C)Oc1ccccc1C#N 248381364 SWANXWKAMIWCIQ-JQFCIGGWSA-N 336.391 3.006 30 50 EGEA C=CCCc1ccccc1N/C(O)=N/[C@@H]1CCO[C@@]2(CCOC2)C1 328589402 OTDXPGIJVLZYDB-APWZRJJASA-N 330.428 3.469 30 50 EGEA OCC#Cc1ccc(CN2CCOc3ccc(Cl)cc3C2)s1 952986325 GVWFJICCNKDEGC-UHFFFAOYSA-N 333.840 3.140 30 50 EGEA N#Cc1ccc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 304012019 VHLNRDIBNGAXPI-LJQANCHMSA-N 338.382 3.283 30 50 EGEA Cc1cc(N(C)/N=C/c2ccccc2O)nc(-c2ccccc2O)n1 4697416 MGZJSZRKDXNQNZ-UDWIEESQSA-N 334.379 3.334 30 50 EGEA CC(C)CCN1C[C@@]2(CCCN(c3cc(C#N)ccn3)C2)CCC1=O 91644448 FMKGAJLKUNULCB-FQEVSTJZSA-N 340.471 3.208 30 50 EGEA N#Cc1nc(N2CC[C@@H](n3cnc4c3CCCC4)C2)ccc1Cl 299739338 NKUYMQPFTFIHKI-GFCCVEGCSA-N 327.819 3.133 30 50 EGEA C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@@]2(C)/C(=C/CO)CC[C@H]12 257358187 SBMHTRUNPKWTLU-ROQJIDASSA-N 330.468 3.408 30 50 EGEA C=CCC(F)(F)C(=O)N1CCC[C@H]1CSc1nnc(C)s1 1775999689 USXALFCMQWHEEY-JTQLQIEISA-N 333.429 3.141 30 50 EGEA N#Cc1ccccc1NC(=O)Nc1ccc(CN2CCOCC2)cc1 20428732 OWWYDMQWUOYQRH-UHFFFAOYSA-N 336.395 3.034 30 50 EGEA C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)Nc1ccc(C#N)nc1 225599293 CYLUVDGLWQHHQE-OAHLLOKOSA-N 349.438 3.383 30 50 EGEA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(O)=Nc1ccccn1 328656993 ZWQZIMWMDABUKZ-KBPBESRZSA-N 348.447 3.233 30 50 EGEA N#Cc1nccnc1N1CCC[C@@H](COc2ccccc2Cl)C1 269896336 DPKICULHIDUBHP-CYBMUJFWSA-N 328.803 3.297 30 50 EGEA C=CCOc1ccc(CN2CCOC[C@@H]2c2nc(C)no2)cc1Cl 188466963 DDFNBHFHIWAMSO-OAHLLOKOSA-N 349.818 3.170 30 50 EGEA COc1ccc(-c2oc(N)c(C#N)c2-c2oc(C)cc(=O)c2O)cc1 2049513399 PBPVPKCDYJFNIQ-UHFFFAOYSA-N 338.319 3.043 30 50 EGEA C=CCOc1cccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 4843181 KVAOPAYBXPMKRF-UHFFFAOYSA-N 328.324 3.421 30 50 EGEA CCCCNc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] 170003421 OYBCGULFVPNWIO-UHFFFAOYSA-N 338.188 3.245 30 50 EGEA Cc1cc(C)n([C@H]2CCN(Cc3ccc(C#CC(C)(C)O)s3)C2)n1 65380400 RXDIQAMQPVKWRK-INIZCTEOSA-N 343.496 3.131 30 50 EGEA N#Cc1ccc(N2CCC[C@](CO)(CCOc3ccccc3)C2)nc1 67756654 FPJMPTRUAJOFBP-FQEVSTJZSA-N 337.423 3.001 30 50 EGEA C[C@@H]1C[C@H]1c1ccc(CN(CC(=O)N[C@](C)(C#N)C2CC2)C2CC2)o1 245285982 ZWUPXVBEWYSVCT-YXKFXFPPSA-N 341.455 3.176 30 50 EGEA N#CC1CCN(C(=O)CO[C@@H](c2ccccc2)C(F)(F)F)CC1 222673300 CVBBBFXXNBTOFL-HNNXBMFYSA-N 326.318 3.069 30 50 EGEA C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)c2C#N)C1 239309433 HPOIRISOGRLPBD-KGYLQXTDSA-N 344.436 3.350 30 50 EGEA Cc1ccc(OC/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1 1075357 DFWMYERZNGSBRZ-UHFFFAOYSA-N 339.800 3.373 30 50 EGEA CCOC(=O)[C@H](C#N)[C@]1(Cc2ccccc2)C[C@@H](C)N(C)C[C@@H]1C 13509774 ISTLFIQBNBWVQL-WQDJSCAQSA-N 328.456 3.278 30 50 EGEA COc1ccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)c(C)c1 67446878 HTPUVHFWPQNAKD-YVEFUNNKSA-N 334.423 3.211 30 50 EGEA CCCCCCCCCCCCCC(=O)N[C@H](CO)C(=O)OC 97950603 BZVCUBJEPHSGJB-MRXNPFEDSA-N 329.481 3.338 30 50 EGEA CCCNCc1cc(OCC)c(OCC#N)cc1Br 2862257 HZKUJUNFBNHIHG-UHFFFAOYSA-N 327.222 3.250 30 50 EGEA O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccco1)n1ncnc1N2 8968902 IGBCCXRSSNBCGZ-ACJLOTCBSA-N 332.363 3.287 30 50 EGEA Cc1cnn([C@H](C)C2CC2)c1NC(=O)c1ccc(C#CC(C)(C)O)o1 55228644 AMVZZZLAJWQEHD-CYBMUJFWSA-N 341.411 3.130 30 50 EGEA CNS(=O)(=O)c1cc(N=C(O)CC2=CCCCC2)ccc1F 328592303 XOIAELPGQKGZRM-UHFFFAOYSA-N 326.393 3.212 30 50 EGEA N#Cc1cccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1 77354396 DDWGKJCUZGRCSX-UHFFFAOYSA-N 347.462 3.339 30 50 EGEA C[C@@]1(C=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H]3[C@@H]3[C@H]2[C@H]2[C@H]1[C@@H]1CC[C@@H]5O[C@H](O4)[C@]3(C)[C@H]2[C@H]51 254448424 GLLJQNVYACDGFA-KAFWAMATSA-N 340.463 3.126 30 50 EGEA N#C[C@H](C(=O)c1ccc(O[C@@H]2CCOC2)cc1)c1nc2ccccc2[nH]1 408515101 NVTNODMEPKKOIN-HZPDHXFCSA-N 347.374 3.221 30 50 EGEA COc1ccc(/C(N)=N/OC(=O)c2ccc(Cl)cc2Cl)cc1 5112082 SRPCCVXIEGXEQI-UHFFFAOYSA-N 339.178 3.479 30 50 EGEA N#Cc1ccccc1C(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857667195 FUDINVWKLSFDDE-DWLFOUALSA-N 346.430 3.157 30 50 EGEA C#CCCC1(CCC(=O)NC[C@@H](c2ccccc2)c2ncc[nH]2)N=N1 2325900041 IUEAOCUJWQPNNM-INIZCTEOSA-N 335.411 3.014 30 50 EGEA C=CCn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 519923 PBZNNBHXDUCYMJ-UHFFFAOYSA-N 327.409 3.044 30 50 EGEA C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 110450937 DOQRHSSSQVCVQK-OQLLNIDSSA-N 345.271 3.247 30 50 EGEA CCn1c(NC(=O)[C@H]2OCCc3ccccc32)nc2cc(C#N)ccc21 131889994 ARLLPVRXYNRNDP-SFHVURJKSA-N 346.390 3.180 30 50 EGEA C[C@@H](/N=C(/O)[C@@H]1CCO[C@H]1c1ccnn1C)c1c(F)cccc1F 328642804 YMNSAQVFYXKOKB-GLKRBJQHSA-N 335.354 3.494 30 50 EGEA N#Cc1cc(-c2ccc(C3(O)CCC3)cc2)ccc1N1CC(C(=O)O)C1 864612498 PSPKACSUYKJRRA-UHFFFAOYSA-N 348.402 3.118 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H]2[C@H]3Cc4c(Cl)cccc4[C@@H]32)N=N1 952881684 QSKZNQNQRPYWCD-RRQGHBQHSA-N 327.815 3.450 30 50 EGEA C#CCCC1(CCC(=O)N2[C@H]3CC[C@H]2CC(c2cnn(C)c2)C3)N=N1 2325886268 ATYQPMPIHMVPGW-IRXDYDNUSA-N 339.443 3.013 30 50 EGEA C/C(O)=C1\C(=O)[C@H]2c3c[nH]c4cccc(c34)C[C@H]2C(C)(C)N(C)C1=O 101145335 WJCPGKDPOYBOOJ-QOCWYBFNSA-N 338.407 3.076 30 50 EGEA Cc1ccoc1/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328634537 UCYLLUCKIAUMGB-SNVBAGLBSA-N 327.306 3.371 30 50 EGEA Cc1cc(NC(=O)CSc2nc3c(cc2C#N)CCCCC3)no1 38141395 IEWDISXALSAZQR-UHFFFAOYSA-N 342.424 3.249 30 50 EGEA OC(=Nc1c[nH]nc1[C@H]1CCCN([C@@H]2CCOC2)C1)c1ccccc1 329172862 KPHXAUFUUORVDA-JKSUJKDBSA-N 340.427 3.014 30 50 EGEA COc1cccc(SCCS(=O)(=O)c2ccc(C#N)cc2)c1 176884291 JMXQTNSVEBAGGI-UHFFFAOYSA-N 333.434 3.133 30 50 EGEA Cc1ccc(-c2cc[n+](CC(=O)c3cccc([N+](=O)[O-])c3)cn2)c(C)c1 2529506 WTHWLZVCIKOLDC-UHFFFAOYSA-N 348.382 3.444 30 50 EGEA N#Cc1sc(N[C@@H]2CCN(c3ccccc3F)C2=O)nc1Cl 225651316 DWCAHKOMUVNWBO-SECBINFHSA-N 336.779 3.025 30 50 EGEA C=CCn1c(CCCCc2n[nH]c(=S)n2CC=C)n[nH]c1=S 25557909 VPNYZIFYDCAKDP-UHFFFAOYSA-N 336.490 3.132 30 50 EGEA CO[C@@](F)(C(=O)Nc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F 33355522 NURBVHMQIKPDIY-VIFPVBQESA-N 341.129 3.195 30 50 EGEA CC(=O)NCc1ccc([C@@H]2CCCN2c2ccc(C#N)cc2F)o1 372063607 TTYPUDOQRCZVQS-KRWDZBQOSA-N 327.359 3.268 30 50 EGEA C=CCc1cc(C(=O)N[C@H](C)c2nc(C(C)C)no2)ccc1OC 299787751 YAXHNIZXTHNRCM-GFCCVEGCSA-N 329.400 3.421 30 50 EGEA OCCC#Cc1ccc(-c2nccn2C[C@H]2CC[C@H](CO)CC2)cc1 1857708828 PKIILPVPVJCHDT-WGSAOQKQSA-N 338.451 3.083 30 50 EGEA COC(=O)[C@]1(C)CCC[C@]2(C)C1=C(OC(C)=O)C(=O)c1ccccc12 393181 HAUMAEDQWYEBSS-VQTJNVASSA-N 342.391 3.321 30 50 EGEA N#Cc1ccc(N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)nc1 253396256 MRKIPTCNBHAQPT-DOMZBBRYSA-N 333.313 3.284 30 50 EGEA CC(C)(O)C#Cc1cccc(-c2nc(CCc3ccccc3)n[nH]2)c1 65373192 BKGFESJFMIBAIU-UHFFFAOYSA-N 331.419 3.379 30 50 EGEA Cc1ccc(S(=O)(=O)N/N=C/c2ccc(C(F)(F)F)cc2)cc1 7946097 AMYZVZVMZNSZRO-VXLYETTFSA-N 342.342 3.326 30 50 EGEA C[C@H](C1CC1)n1cc(N=C(O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)cn1 329828009 IZTVZPCDWXKWNC-UHOFOFEASA-N 332.448 3.289 30 50 EGEA C=CCN1CC2(CCC1=O)CCN(C(=O)CCc1ccccc1)CC2 92037195 OLMGGAGKABUJHO-UHFFFAOYSA-N 340.467 3.036 30 50 EGEA Cc1cc(C)n(CCCN(C)Cc2ccc(C#CC(C)(C)O)s2)n1 823709215 KGXBOIQASJGCQO-UHFFFAOYSA-N 345.512 3.206 30 50 EGEA C[C@@H](O)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 191850966 KZUCTKGGHDOVFG-MLGOLLRUSA-N 343.814 3.498 30 50 EGEA C=CCOc1ccccc1CNC(=O)N1CCC([C@@H]2CCCO2)CC1 195573794 DIPFUDLXKIXKBS-SFHVURJKSA-N 344.455 3.352 30 50 EGEA CSc1nc2n(n1)[C@H](c1ccccn1)C1=C(CC(C)(C)CC1=O)N2 13123864 KYGPMPOOLOOFDG-CQSZACIVSA-N 341.440 3.053 30 50 EGEA Cc1nc(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)ccc1C#N 230123828 OPGOUVZSYIKUNB-MUKKUYKPSA-N 335.407 3.252 30 50 EGEA C#CCCC1(CCC(=O)NCc2cccc(Cn3ccnc3C)c2)N=N1 2325891990 VFDGVPPNYIHTDV-UHFFFAOYSA-N 349.438 3.212 30 50 EGEA Cc1cc(C)c(C#N)c(SCCS(=O)(=O)Cc2ccccc2)n1 470419 FFMNGACSUQNLGB-UHFFFAOYSA-N 346.477 3.277 30 50 EGEA COc1ccc(C#N)cc1CN1C[C@@H](O)C[C@H]1c1cccc(F)c1 253395730 GMYAOPBZNOYZNU-ROUUACIJSA-N 326.371 3.014 30 50 EGEA Cc1csc(N2CCC(=NNc3ccc(C(=O)O)cc3)CC2)n1 328600315 WTJDLEIGXUVOFE-UHFFFAOYSA-N 330.413 3.218 30 50 EGEA CC(C)[C@H]1CN(C(=O)C2(C#N)CC2)CCCN1Cc1ccc(F)cc1 71747066 IAQRUEMHVVXTOG-GOSISDBHSA-N 343.446 3.188 30 50 EGEA C[C@@H](Nc1ccc2nc(C(F)F)sc2c1)C(=O)N(C)CCC#N 328591361 QGEUMWDTDCGRCT-SECBINFHSA-N 338.383 3.406 30 50 EGEA N#Cc1c(-c2cccnc2)cc(-c2cnn(-c3ccccc3)c2)nc1N 71765077 TZKAUDAJQHTKHF-UHFFFAOYSA-N 338.374 3.450 30 50 EGEA CC(=O)NCc1ccc([C@H]2CCCN2c2ccc(F)cc2C#N)o1 368761481 KWORRIHYFVCMHE-QGZVFWFLSA-N 327.359 3.268 30 50 EGEA C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC[C@H]4COC)[C@H]3C[C@@H]12 252694547 LYZJRMREVMQKQK-WKOMVXTHSA-N 347.499 3.411 30 50 EGEA biogenic C=CCOc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1OC 5126840 BEUXBRNVYUCXHM-UHFFFAOYSA-N 325.368 3.042 30 50 EGEA Cc1cc(NC(=O)[C@@H]2CCOc3ccc(Cl)cc32)n(CCC#N)n1 241171090 KECCSLQSAHBPRL-CYBMUJFWSA-N 344.802 3.263 30 50 EGEA O=C(O)C(F)(F)[C@@](F)(N(C(F)(F)F)C(F)(F)F)C(F)(F)F 100912209 DFWIISOTHWLFTD-GSVOUGTGSA-N 347.055 3.276 30 50 EGEA COc1ccc(C2CC(=O)C(=CNCc3ccccc3)C(=O)C2)cc1 100424082 INGROTHXECWDSG-UHFFFAOYSA-N 335.403 3.385 30 50 EGEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)/C(O)=N/[C@H]1C=CCCC1 328630864 QIKIRMMIXHUJMO-BZSNNMDCSA-N 328.460 3.029 30 50 EGEA Cc1cccc(OCC(=O)O/N=C(\N)c2ccccc2Cl)c1C 5065406 HZLLLERKMCDMGM-UHFFFAOYSA-N 332.787 3.199 30 50 EGEA CC1(C)OB(c2ccc(NC(=O)c3ccccc3)c(F)c2)OC1(C)C 405024703 JRCGXGWZQCXACF-UHFFFAOYSA-N 341.191 3.377 30 50 EGEA Cc1cc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)ncn1 1286591 ZWYGOKINDWAMMH-UHFFFAOYSA-N 344.465 3.328 30 50 EGEA N#CCN(CC#N)C(=O)CCCOc1ccc(Cl)cc1Cl 4600129 PUFLFGHKEFBDEP-UHFFFAOYSA-N 326.183 3.028 30 50 EGEA C=C(C)CN1C(=O)[C@@](O)(CC(=O)c2c(C)coc2C)c2ccccc21 6729392 XQSAJBJEGBHNLO-HXUWFJFHSA-N 339.391 3.280 30 50 EGEA CN(C)C(=O)c1cccc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)c1 110844233 NQHCQSMLXXOOCG-OAQYLSRUSA-N 349.434 3.033 30 50 EGEA CS[C@H](CO)[C@@H](C)Nc1c(C#N)cnc2c(F)c(F)c(F)cc12 281080921 BUWMOXHRVHPELH-RDDDGLTNSA-N 341.358 3.048 30 50 EGEA C=CCN(C)CCN(CC)CC(=O)Nc1cc(Cl)ccc1Cl 253418854 BJRMDZVRJHGBKZ-UHFFFAOYSA-N 344.286 3.372 30 50 EGEA CC1=NN(c2ccc(C(=O)N(CCC#N)CC(F)(F)F)cc2)CC1 177625529 JIJHMSNQXYVRJM-UHFFFAOYSA-N 338.333 3.191 30 50 EGEA CC(C)c1cnc(S(=O)(=O)Cc2ccccc2C#N)n1C1CC1 408514986 WNNWVJMWYSMRGV-UHFFFAOYSA-N 329.425 3.187 30 50 EGEA C#CCCC1(CCC(=O)N2CCC[C@@H](n3nc(C)cc3C)C2)N=N1 952880905 KGTICSOJDJULDB-MRXNPFEDSA-N 327.432 3.019 30 50 EGEA C#CC[C@@H]1CCCN(C(=O)[C@H](NC(=O)c2ccccc2)[C@@H](C)CC)C1 843682907 ZNBIPDBKRLOAIL-YQVWRLOYSA-N 340.467 3.093 30 50 EGEA C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 4083984 AMQJCGDKERGSAU-ZDUSSCGKSA-N 341.194 3.351 30 50 EGEA O/C(=N/[C@@H]1CCO[C@@H](C2CC2)C1)Nc1ncc(C(F)(F)F)s1 328588396 OPYFJKXWSJQWPL-RKDXNWHRSA-N 335.351 3.445 30 50 EGEA CC1(C)C[C@@H](/N=C(/O)c2csc(CN)n2)c2ccc(F)cc2O1 328587969 KQHONLJMUDHDFH-LLVKDONJSA-N 335.404 3.348 30 50 EGEA CS[C@@H](C)Cc1c(C#N)c(N)nc2c1CN(C1CCCC1)CC2 72165626 OQYNAGYGZCPHEF-LBPRGKRZSA-N 330.501 3.130 30 50 EGEA CC(C)(C)N1C[C@H](C(O)=Nc2csc(-c3ccncc3)n2)CC1=O 328790069 YPCXWOFVMZVURX-GFCCVEGCSA-N 344.440 3.440 30 50 EGEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)N3CCCC[C@@H]3C)o2)cc1 826802948 VJMCJVGNEWYXTL-ZDUSSCGKSA-N 345.424 3.085 30 50 EGEA Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)c(O)c2)cc1 6556820 NQUFBRIRAYWMLK-RQZCQDPDSA-N 326.381 3.210 30 50 EGEA C=CCn1cc(CNCc2c[nH]nc2-c2ccc(OC)cc2)c(C)n1 55120380 UPGASJMDPZXCEY-UHFFFAOYSA-N 337.427 3.066 30 50 EGEA CC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2[C@H]1c1cccc(C)c1 22034610 YAMXUQMJYBYLFK-ZDUSSCGKSA-N 341.436 3.158 30 50 EGEA C=CCSc1nnc2nc3c(nn12)c1cc(C)ccc1n3CC=C 4123919 RKCRDSSCYRAMCG-UHFFFAOYSA-N 336.424 3.400 30 50 EGEA C=CC[C@@H](CC)NC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 281402203 OZEHGSXALCENQU-CYBMUJFWSA-N 347.440 3.358 30 50 EGEA N/C(Cc1cccc2ccccc12)=N\OC(=O)COc1ccccc1 5092237 CWMVWTONQBNICO-UHFFFAOYSA-N 334.375 3.277 30 50 EGEA CCN(CC)/C(=N\S(=O)(=O)c1ccccc1)c1ccc(F)cc1 5173836 MPHSWBLGGLDCHL-ZPHPHTNESA-N 334.416 3.303 30 50 EGEA C=CCNC(=O)Cc1c(OC)ccc2cc(Br)ccc12 2172749 CPZOKMPWYUJRDO-UHFFFAOYSA-N 334.213 3.456 30 50 EGEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1(c2ccnc3ccccc23)CC1 867997905 MCWHQMJCCUIAJT-BEFAXECRSA-N 336.435 3.364 30 50 EGEA N#Cc1c(C#N)c(-c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)c1N 1188762 DBHIBEPVTUDKMX-UHFFFAOYSA-N 329.319 3.378 30 50 EGEA C=CCN1C(=O)/C(=C\c2cc(Cl)cc(OC)c2O)SC1=S 2993842 COJCGXMRZNTGPK-IZZDOVSWSA-N 341.841 3.441 30 50 EGEA COc1ccc(OC)c(/C=N/N=c2\sc3ccccc3n2C)c1 4819434 LMPIOOFJCNBFKB-ONMBGNKZSA-N 327.409 3.192 30 50 EGEA N#Cc1c(SCC(N)=O)nc(-c2cccs2)c2c1CCCC2 6703646 OHQWNPKPMIHCQF-UHFFFAOYSA-N 329.450 3.138 30 50 EGEA N#Cc1cccc(N2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)n1 67712823 WJBSTONTGBPDAL-LJQANCHMSA-N 341.842 3.428 30 50 EGEA COc1ccccc1N1CCc2nc(N)c(C#N)c(-c3ccoc3)c2C1 72167402 NLWBPYBTQNMPEO-UHFFFAOYSA-N 346.390 3.367 30 50 EGEA COc1ccc(Cl)cc1N1CC[C@H](NC(=O)C2(C#N)CCCC2)C1 263957927 CRJSMHSIQMEKRS-AWEZNQCLSA-N 347.846 3.127 30 50 EGEA CCNC(=O)c1cc(NC(=O)c2cc(F)cc(C#N)c2)ccc1Cl 952967183 JAZGYWFPIVBWGM-UHFFFAOYSA-N 345.761 3.353 30 50 EGEA C=CCCC(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2OC)C1 12373699 VJXCROOMBCHNER-SFHVURJKSA-N 344.499 3.374 30 50 EGEA N=C(O)N1CC[C@H](C/N=C(/O)c2ccc(Cl)c(C(F)(F)F)c2)C1 328599413 RPXRZKPVADMZJZ-MRVPVSSYSA-N 349.740 3.478 30 50 EGEA CCCn1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)c(C)n1 67847611 RMGSSGJYKFXCRJ-UHFFFAOYSA-N 333.395 3.490 30 50 EGEA COc1ccc([C@@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)c(OC)c1 1422966 FGYLHHMTHKKCAT-ZDUSSCGKSA-N 330.380 3.378 30 50 EGEA biogenic CS[C@@H](CO)[C@@H](C)Nc1c(C#N)cnc2c(F)c(F)c(F)cc12 281080920 BUWMOXHRVHPELH-HQJQHLMTSA-N 341.358 3.048 30 50 EGEA N#Cc1cc(F)c(C(=O)NCC2(c3ccc(F)cc3)CC2)c(F)c1 121660853 DCNLQPPSNJXXLX-UHFFFAOYSA-N 330.309 3.437 30 50 EGEA CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 4783551 PUKLDDOGISCFCP-JSQCKWNTSA-N 344.451 3.017 30 50 EGEA biogenic,in-vitro COc1nc2ccc(N=C(O)[C@H]3CCn4cncc4C3)cc2s1 329116005 TUPQNOVVOGHVBQ-JTQLQIEISA-N 328.397 3.352 30 50 EGEA CCC#CCN1CCn2nc(CN(C)Cc3sccc3C)cc2C1 72163563 DWAOLLIUBXGUGE-UHFFFAOYSA-N 342.512 3.114 30 50 EGEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)C2CCCCCC2)cc1 1565512851 MJAXARBHKSGUQD-OALUTQOASA-N 342.439 3.181 30 50 EGEA N#Cc1ccc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)nn1 301969544 QMGWCOSQVXPTPG-GFCCVEGCSA-N 325.441 3.068 30 50 EGEA COc1cc(/C=N/N2C(=O)c3cccc4cccc(c34)C2=O)ccc1O 446468 MDBLIIGUWWAPNX-SRZZPIQSSA-N 346.342 3.184 30 50 EGEA C=CCCC(=O)N1CC[C@]2(CCCN(CC3CCCCC3)C2=O)C1 12455970 HIWPUOAZYVBXQD-HXUWFJFHSA-N 332.488 3.374 30 50 EGEA Cn1c(B2OC(C)(C)C(C)(C)O2)cc2cc(Br)ccc21 169746269 GBAYEAQTJRVESZ-UHFFFAOYSA-N 336.038 3.240 30 50 EGEA CC#CC(=O)N(Cc1cc(Br)ccc1OCC)C1CC1 253392239 DBQVVZAPLLEEOW-UHFFFAOYSA-N 336.229 3.362 30 50 EGEA O=S1(=O)CCC[C@H](C/C(O)=N/[C@@H]2CSc3ccccc32)C1 328889426 QPGUJKFPICDKPQ-DGCLKSJQSA-N 325.455 3.005 30 50 EGEA CCOc1cccc(C=Nn2c(S)nnc2-c2ccccc2)c1O 239203401 SHXNNJYUVQVXKK-UHFFFAOYSA-N 340.408 3.220 30 50 EGEA CC(C)(C)n1cc(C#N)c(NC(=O)c2ccoc2Br)n1 192669304 NERBYRUPBMJJFI-UHFFFAOYSA-N 337.177 3.118 30 50 EGEA C=CCN1C(=O)/C(=C\c2ccc(OC)c(OCC)c2)SC1=S 1416041 HUGKIBOIHQQYFT-GXDHUFHOSA-N 335.450 3.481 30 50 EGEA OCCC#Cc1ccc(CN2CCC[C@H](Nc3ccccc3)C2)cc1 12430104 XICGIUUGZZBSOH-QFIPXVFZSA-N 334.463 3.497 30 50 EGEA O=C(O)Cc1cccc(/C=C/C(=O)c2cnn(Cc3ccccc3)c2)c1 1777651736 NTNOGNDKTBVTQN-MDZDMXLPSA-N 346.386 3.455 30 50 EGEA Cc1cc(N2CCOCC2)c(F)cc1[C@](C)(O)C#Cc1ccccc1 268431 HZORSQLFFXJAMC-OAQYLSRUSA-N 339.410 3.230 30 50 EGEA CC1(C)Cc2c(sc(NC(=O)NCc3cccnc3)c2C#N)CO1 6670350 XVWVFCLBQNPWJB-UHFFFAOYSA-N 342.424 3.188 30 50 EGEA COc1ccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2O)cc1OC 49590022 GMELYVVJGGTRIY-ZZXKWVIFSA-N 329.308 3.214 30 50 EGEA C=CCN(Cc1ccsc1)C(=O)CCc1c(C)nc(O)nc1C 1506421139 XUUFSJDORBEARN-UHFFFAOYSA-N 331.441 3.008 30 50 EGEA C=CC[C@H]1N(C(=O)c2cccc(OCC(=O)O)c2)CCCC1(C)C 668321763 YZBFQYUTJGNXNG-MRXNPFEDSA-N 331.412 3.357 30 50 EGEA N#Cc1ccnc(N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 343242515 KULOLGWBDFDHIG-HUUCEWRRSA-N 333.313 3.284 30 50 EGEA Cc1ncc(/C(O)=N/[C@H](c2c(C)nn(C)c2C)C(F)(F)F)c(C)n1 330700889 GSETYZOXRGFIEF-CYBMUJFWSA-N 341.337 3.052 30 50 EGEA Cc1nnc(N2CC[C@@H](Oc3ccccc3Cl)C2)c(C#N)c1C 131799361 XRABIEAAWFTVLQ-CYBMUJFWSA-N 328.803 3.276 30 50 EGEA COCCCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(C#N)nc1 96166792 SZIJDMQDHRDUOU-UHFFFAOYSA-N 338.411 3.332 30 50 EGEA C[C@H]1C[C@@H]1c1nc(C#N)c(N2CCN(c3ccc(F)cc3)CC2)o1 1775965345 YLAMLVRGGYQEHI-WFASDCNBSA-N 326.375 3.135 30 50 EGEA C=CCNC(=O)c1sc2ncnc(N3CCCCCC3)c2c1C 14992537 GSBXVJSLBNBEPO-UHFFFAOYSA-N 330.457 3.296 30 50 EGEA CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(C#N)c(C)c2)n[nH]1 435725581 YSEJXLXYFHASDJ-NSHDSACASA-N 332.429 3.294 30 50 EGEA COc1ccnc(NC(=O)[C@@H](C)CCOc2ccccc2)c1C#N 1875275109 YDCKGMLZWQEINJ-ZDUSSCGKSA-N 325.368 3.006 30 50 EGEA CCCCCCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1 100925730 FAGSBFXBWGCSCA-UHFFFAOYSA-N 326.462 3.413 30 50 EGEA N#C[C@@H](C(=O)c1ccn(Cc2ccccc2)n1)c1nc2ccccc2[nH]1 357781706 SYLWTDRGGYZWMT-HNNXBMFYSA-N 341.374 3.298 30 50 EGEA O=[N+]([O-])c1ccc(N/N=C2/[C@@H]3[C@H]4C[C@@H]5[C@H]6C[C@@H]([C@H]25)[C@@H]3[C@H]46)c([N+](=O)[O-])c1 245266923 KSEOYFBWVDHLNF-IQQTZQCISA-N 340.339 3.049 30 50 EGEA C=CCn1c(SCC(=O)OCC)nnc1-c1csc(CC)c1 5950085 VSKJOQBGUNAEEC-UHFFFAOYSA-N 337.470 3.410 30 50 EGEA CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(O)cc1 225845535 HWXRWFWWSYKQEL-UHFFFAOYSA-N 329.787 3.382 30 50 EGEA Cc1cnc([C@H](C)C/N=C(/O)[C@@H]2CCO[C@H]2c2ccnn2C)s1 328625091 KKMDMFAFLDAQOE-MPKXVKKWSA-N 334.445 3.023 30 50 EGEA C=C(C)COc1ccccc1NC(=O)[C@@H](C)N1C[C@H](C)O[C@H](C)C1 952961613 GKYAAIAWSOZULK-OWCLPIDISA-N 332.444 3.078 30 50 EGEA N#Cc1cc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)ccn1 192770730 RCGAUQJZLSSZNV-UHFFFAOYSA-N 347.296 3.445 30 50 EGEA Cc1c(Cl)cnc(N2CCC(CC(=O)N3CCCC3)CC2)c1C#N 242339119 ZFBHQVLSJHCDQF-UHFFFAOYSA-N 346.862 3.144 30 50 EGEA O=c1[nH]c2ccc(C#CCN3CCC(Cc4ccccc4)CC3)cc2[nH]1 23994 JJEXWPHPFZLTCU-UHFFFAOYSA-N 345.446 3.162 30 50 EGEA in-vitro N#CC1(c2nc(-c3ccccc3CN3CCCC3=O)no2)CCCC1 225591427 VMPBSWMMJYAUIG-UHFFFAOYSA-N 336.395 3.194 30 50 EGEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1ccc2nnnn2c1 55211773 BWVCNVHNSPOVKK-MSOLQXFVSA-N 345.406 3.212 30 50 EGEA COc1ccc(NC[C@H](C#N)C(=O)NCc2ccc(Cl)cc2)cc1 4054250 AYJPJHUNIUMUIK-AWEZNQCLSA-N 343.814 3.217 30 50 EGEA Cn1cc([C@H]2OCCC[C@@H]2/N=C(/O)[C@@H]2C[C@@H]2c2ccccc2)cn1 328616605 BVHNZDLIXKDWNU-ZJPYXAASSA-N 325.412 3.400 30 50 EGEA Cc1ccc(NC(=O)N[C@@H](C)CC#N)cc1OCC1CCOCC1 160922801 DQDSULLKTUSNPG-AWEZNQCLSA-N 331.416 3.224 30 50 EGEA CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C 170030982 MZFOCJORKNCEMQ-UHFFFAOYSA-N 347.264 3.353 30 50 EGEA in-vitro C=CC[C@H]1CC=C[C@H](C)N1CC(=O)Nc1ccc(N(C)C(C)=O)cc1 209922912 JVRFWCDIQVESFL-KXBFYZLASA-N 341.455 3.203 30 50 EGEA Cc1cc(N(C)/N=C/c2ccc(O)cc2)nc(-c2ccccc2O)n1 4697419 JHIPFGLHTBMAET-UDWIEESQSA-N 334.379 3.334 30 50 EGEA Cc1cc(C(=O)NC2CCCCC2)ccc1B1OC(C)(C)C(C)(C)O1 170004197 ZABLPXQAYMZERA-UHFFFAOYSA-N 343.276 3.357 30 50 EGEA CCCC[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1cccnc1 822830932 SMLLFCVLQUZCLJ-KRWDZBQOSA-N 329.425 3.163 30 50 EGEA O=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1ccc([N+](=O)[O-])cc1 18061571 GXGCBMULWZUZBM-ZROIWOOFSA-N 341.348 3.192 30 50 EGEA C[C@H](NC(=O)N[C@@H](C)[C@H]1COc2ccccc21)c1ccc(C#N)cc1 241160559 JYGSKFAFUWYYME-SUNYJGFJSA-N 335.407 3.483 30 50 EGEA N#CCC(=O)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 390834437 YVPGDUVIBNCRKL-SNVBAGLBSA-N 335.123 3.472 30 50 EGEA C=C[C@@H]1OCC[C@H]1NC(=O)Nc1nc2ccc3scnc3c2s1 934013336 BCPBCKZNISTJLL-SCZZXKLOSA-N 346.437 3.371 30 50 EGEA C=C1CCN(C(=O)N=c2[nH]nc(SCc3ccccc3)s2)C1 1875277841 JGPOEKOQMNZHLT-UHFFFAOYSA-N 332.454 3.046 30 50 EGEA N#Cc1ccccc1-c1nc([C@@]2(c3ccc(F)cc3)CCOC2)no1 20866159 IIDYSCHLZQBFNI-IBGZPJMESA-N 335.338 3.454 30 50 EGEA CC(C)(O)C#Cc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)o1 65376070 FFSNNWYUWPRQFE-UHFFFAOYSA-N 335.403 3.332 30 50 EGEA N#CC1(C#N)[C@@H](c2ccccc2)O[C@@]23CCCC[C@H]2[C@@]1(C#N)C(=N)O3 239432956 WZLSMMJVGMRTON-QGWWYQLQSA-N 332.363 3.195 30 50 EGEA COc1cccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)c1O 1299440 JPPLAWRMOSLQFA-LICLKQGHSA-N 326.381 3.204 30 50 EGEA CCCCCCCCNC(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1 1772708597 FIJGNNGEMSWGJQ-SFHVURJKSA-N 345.487 3.100 30 50 EGEA Cc1oc(C#N)cc1C(=O)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 253433277 VAMYSVWZLGKCTF-YOEHRIQHSA-N 337.423 3.100 30 50 EGEA CCOc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 250419010 YYTIZANXSDIAKL-SQWLQELKSA-N 330.428 3.277 30 50 EGEA O=C(COCC(F)(F)F)NCc1ccc(F)cc1C(F)(F)F 122811092 UAKOSEIRJNRJOC-UHFFFAOYSA-N 333.203 3.040 30 50 EGEA CC(C)Oc1cccc(-c2cc(C3CCNCC3)c(C#N)c(N)n2)c1 71708059 REXCWGVZDUBCLV-UHFFFAOYSA-N 336.439 3.457 30 50 EGEA N#Cc1ccc(C2=CCN(C(=O)C[C@H](O)c3ccccc3)CC2)cc1 367390691 SERXXFNJKVBBHA-FQEVSTJZSA-N 332.403 3.298 30 50 EGEA C=CCOc1ccccc1-c1cc(-c2cn(C)nc2C)nc(N)c1C#N 71416027 FLINWMCGVDFURU-UHFFFAOYSA-N 345.406 3.476 30 50 EGEA Cc1cccc(C(=O)Nc2cc(C)n(CCC#N)n2)c1Br 271146393 ROPKRTCHGAJNTL-UHFFFAOYSA-N 347.216 3.428 30 50 EGEA Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3s2)c2cnn(C)c2n1 170592280 URFOARLTGSWYPU-GFCCVEGCSA-N 347.403 3.377 30 50 EGEA Oc1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)c(O)c1 1306850 PKIQGRJZAFBQMT-CAOOACKPSA-N 346.799 3.181 30 50 EGEA CCc1noc(C)c1/C(O)=N/CC1CCN(CC(F)(F)F)CC1 331023852 MTYHBDSLDITDIR-UHFFFAOYSA-N 333.354 3.124 30 50 EGEA CC(C)(C)Oc1cccc(CNC(=O)c2c(F)cc(C#N)cc2F)n1 390834756 WZXVFZDLKTZJLJ-UHFFFAOYSA-N 345.349 3.339 30 50 EGEA C#CCCC1(CCC(=O)N2CC[C@H](COc3ccccc3)C2)N=N1 952883426 ZMLUYELCAFRVPJ-INIZCTEOSA-N 325.412 3.270 30 50 EGEA N#Cc1cccnc1N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280444005 KPJUJJSZKPSCCM-IUODEOHRSA-N 333.313 3.284 30 50 EGEA COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2C#N)CC(=O)N3)cc1 65405267 ZFUMMTNFKBAOCL-INIZCTEOSA-N 344.374 3.431 30 50 EGEA C=CC[C@@]1(CO)CCCN(C(=O)Cc2cc(F)c(F)cc2Cl)C1 91781799 XVBBETPQDZFVTN-QGZVFWFLSA-N 343.801 3.338 30 50 EGEA C#Cc1cccc(NC(=O)C(=O)Nc2ccc(-c3cnc(C)o3)cc2)c1 187385747 ATNZTQIVGHWZOL-UHFFFAOYSA-N 345.358 3.209 30 50 EGEA COc1cc(/C=C2/COc3c(F)cccc3C2=O)ccc1OCC#N 194859282 QZHGMWPQGIJLGD-LCYFTJDESA-N 339.322 3.395 30 50 EGEA CC(C)(C)OC(=O)n1c(B2OC(C)(C)C(C)(C)O2)cc2ccncc21 1772572694 RHDMHNUGNHRHIG-UHFFFAOYSA-N 344.220 3.119 30 50 EGEA CC(C)n1ccc(C(=O)N2CC[C@H](CB3OC(C)(C)C(C)(C)O3)C2)n1 1875369016 VSSSXPOGHOFQRM-CQSZACIVSA-N 347.268 3.018 30 50 EGEA C=CCC1(S(=O)(=O)N(C)[C@H]2CCCc3nc(C)sc32)CC1 1775999291 IHKOJEJVKDBDOS-ZDUSSCGKSA-N 326.487 3.199 30 50 EGEA C=CCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N(CC)C1 55341100 WGHFIUAFFZHAOX-OAHLLOKOSA-N 334.847 3.113 30 50 EGEA C=C(C)COc1cccc(CNCc2nc3ccccc3c(=O)[nH]2)c1 63882164 MRVJWYIIKXGVEO-UHFFFAOYSA-N 335.407 3.168 30 50 EGEA CCCCCCCCCC[C@@H](C(=O)O)[C@]1(C(=O)O)CCC(=O)O1 67957228 TUXHHVJPGQUPCF-GUYCJALGSA-N 328.405 3.378 30 50 EGEA biogenic,in-vitro COc1cc(/C=N\Nc2nc3ccccc3o2)cc(OC)c1OC 31939399 FKVNRRVOINSYRD-ZDLGFXPLSA-N 327.340 3.300 30 50 EGEA CO[C@]1(C)CCCN(/C(O)=N/[C@@H](C)c2nc(C(C)(C)C)no2)CC1 328588384 DIQOZDYRLTYAMW-YVEFUNNKSA-N 338.452 3.233 30 50 EGEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)[C@@H]2C[C@@H]2C2CCCCC2)C1 328654519 XNCVLAIGMWPMGP-OPQOLIRYSA-N 348.487 3.487 30 50 EGEA Cc1ccc([C@@H](NC(=O)N2CCC(C#N)CC2)c2ccncc2)cc1 426431718 DCTUUUROFKOSPC-LJQANCHMSA-N 334.423 3.425 30 50 EGEA N#CCC(=O)N1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 170598970 LPDNLOZHQSTDDN-UHFFFAOYSA-N 334.379 3.129 30 50 EGEA C#CCCC1(CCC(=O)NCc2ccc(-c3cnn(C)c3)cc2)N=N1 1875368803 QYHCUHJEKZFRPM-UHFFFAOYSA-N 335.411 3.059 30 50 EGEA CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CC(CC#N)C1 888100696 HAYNBYZPSFUAGC-UHFFFAOYSA-N 326.318 3.235 30 50 EGEA Cc1nc2ccccc2c(C)c1CC(=O)Nc1nc2n(c1C#N)CCC2 1775999888 ZCHYKSNEJBMYFZ-UHFFFAOYSA-N 345.406 3.047 30 50 EGEA C=CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1Br 2936882 UNJQCVCWDRPEJZ-YRNVUSSQSA-N 340.198 3.338 30 50 EGEA Cc1cccc2c1[nH]c1nc(N/N=C\c3ccc(N(C)C)cc3)nnc12 4750712 CKDLADXZGKVUKH-JAIQZWGSSA-N 345.410 3.327 30 50 EGEA O=C(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)[nH]1)C(F)(F)F 100290644 IMRORTLKCNPPDZ-UHFFFAOYSA-N 329.118 3.072 30 50 EGEA COC[C@](C)(C#N)NC(=O)c1cc(C)c(Br)c(Cl)c1 252485747 HCUDIDMDGOUQPS-ZDUSSCGKSA-N 345.624 3.069 30 50 EGEA C=CCc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)O)ccc1OC 426589071 QKFNGRGHAKIZLH-MRXNPFEDSA-N 331.412 3.283 30 50 EGEA CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](CC#N)c2ccccc2)c1 408513990 LASZHRMMXXNXSY-DNVCBOLYSA-N 336.391 3.428 30 50 EGEA Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3s2)c2cnn(C)c2n1 170592281 URFOARLTGSWYPU-LBPRGKRZSA-N 347.403 3.377 30 50 EGEA CC(C)c1ccc(/C=N/O[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 170642563 NSCDSDSNUOMXCX-UOBPLZBXSA-N 340.427 3.090 30 50 EGEA Cc1cc(CNC(=O)N2CCO[C@@H](C#N)C2)ccc1-c1ccccc1 188070922 FCYDUIAYWSKHBA-SFHVURJKSA-N 335.407 3.096 30 50 EGEA Cc1c(C#N)c(N2CCO[C@@H](c3cccnc3)C2)nc2ccccc12 1857666754 VRSOPEMJTFSSON-LJQANCHMSA-N 330.391 3.388 30 50 EGEA Cc1ccc(/C(O)=N/[C@@H](CCO)C2CCOCC2)c(F)c1Cl 331344916 QAXDLLOQYMIKFM-ZDUSSCGKSA-N 329.799 3.270 30 50 EGEA Cc1cc(C2CCN(c3ccc(Br)c(C#N)n3)CC2)n[nH]1 1875272002 BIYJAJFFONDKPS-UHFFFAOYSA-N 346.232 3.131 30 50 EGEA C/C(=N\N=C\c1ccc([N+](=O)[O-])cc1)C1C(=O)c2ccccc2C1=O 100326897 DOQCDSOLDPOPNA-ROUMAOROSA-N 335.319 3.085 30 50 EGEA CS[C@@H]1CCCCN(/C(O)=N/Cc2nnc(C(C)(C)C)s2)C1 328588421 OYPPADCIAOXPDU-LLVKDONJSA-N 342.534 3.467 30 50 EGEA CC(=O)OC[C@H]1[C@@H]2[C@@H]3CCC4=C3[C@H]3[C@H]2[C@H]2[C@H]1[C@H]1CCC[C@H]1[C@H]2[C@H]3C4=O 257346386 ACNQABZCVSHDBM-YXBTYZSZSA-N 338.447 3.239 30 50 EGEA N#Cc1nccnc1N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 1529147082 UAKDUAMLJMOUHC-ILZDJORESA-N 334.423 3.005 30 50 EGEA C#CCCC1(CCNC(=O)COc2ccc3c(c2)CCCC3)N=N1 1875381226 NXVKOXRRJWPOQM-UHFFFAOYSA-N 325.412 3.026 30 50 EGEA C[C@@H](OCC(F)(F)F)c1noc(-c2ccccc2OCC#N)n1 896613658 SCPLMPZWWYYWTK-SECBINFHSA-N 327.262 3.279 30 50 EGEA CCc1nnc(C[C@@H]2CC[C@H](Nc3ccc(Cl)c(C#N)n3)C2)o1 1775957843 PNJWDOHHTUNYOO-MNOVXSKESA-N 331.807 3.375 30 50 EGEA CC(C)(C#N)C(=O)Nc1cc(Br)nc(Br)c1 1775985202 ICPNRXAPUTXNQC-UHFFFAOYSA-N 347.010 3.095 30 50 EGEA C#CCCC1(CC(=O)NCc2cc(Br)ccc2F)N=N1 2325900021 IFBLUERTFGYLRY-UHFFFAOYSA-N 338.180 3.170 30 50 EGEA CC(C)Oc1cccc(-c2cc(-c3cnn(C)c3)c(C#N)c(N)n2)c1 67843340 ZFKXGELXPNCKJY-UHFFFAOYSA-N 333.395 3.390 30 50 EGEA N#Cc1ccc(NC(=O)Cc2cccc(OCC(F)(F)F)c2)nc1 123491488 XSMKTVFUDQUBTD-UHFFFAOYSA-N 335.285 3.076 30 50 EGEA O/C(=N/C1CC(C(F)(F)F)C1)N[C@H]1CCOc2c(F)cccc21 329521880 FXTLRYTWFRLVQX-KWPJZBAWSA-N 332.297 3.494 30 50 EGEA CC(C)(C)OC(=O)C1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 1772572632 DDRTXDRMXGRHIH-UHFFFAOYSA-N 344.260 3.359 30 50 EGEA CC1(C)OB(c2ccc(-c3nc4ccc(N)cc4o3)cc2)OC1(C)C 200794819 LDVXDNUBDXVHEA-UHFFFAOYSA-N 336.200 3.376 30 50 EGEA C=CCOc1ccc(C(=O)N[C@H](C)[C@H]2COc3ccccc3O2)cc1 2090204 MSNMEVMJLUCFLP-AUUYWEPGSA-N 339.391 3.210 30 50 EGEA biogenic COc1ccc(/C=C/c2nc(C#N)c(N3CCCC3)o2)cc1OC 4840029 XBVVYCJILMLSGN-SOFGYWHQSA-N 325.368 3.334 30 50 EGEA C=CCNc1nnc(COc2ccc(Br)cc2)s1 6745275 VUWFQTOZBKDEBZ-UHFFFAOYSA-N 326.219 3.478 30 50 EGEA CCn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)COc1cccc(C)c1 328618489 DSVOILVFKOZIQL-RDJZCZTQSA-N 329.400 3.077 30 50 EGEA N#Cc1ccc(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1 193881907 KRHPQMVUQSGLEK-GOSISDBHSA-N 348.406 3.036 30 50 EGEA Cc1ccncc1/C(O)=N/[C@H](c1c(C)nn(C)c1C)C(F)(F)F 331180189 LIBWHPZAGUJEJO-CYBMUJFWSA-N 326.322 3.349 30 50 EGEA Cc1ncsc1CN(C)C[C@H]1CCN(c2cccc(F)c2C#N)C1 190445958 MRXXKCFTPKLQMC-CQSZACIVSA-N 344.459 3.421 30 50 EGEA Cc1c(CN2CCC(N3CCc4ccccc4C3)CC2)cc(C#N)n1C 1506416387 AXQTUGNUCSFCKH-UHFFFAOYSA-N 348.494 3.228 30 50 EGEA C=CCN(CC=C)C(=O)c1cc(-c2ccccc2)cc(-n2cnnn2)c1 15000814 BRZRAJYHBXYEIC-UHFFFAOYSA-N 345.406 3.144 30 50 EGEA COc1cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)ccc1O 1239452 ULUUPBXLBTXAFU-LICLKQGHSA-N 326.381 3.204 30 50 EGEA N#Cc1ccc(-c2ccccc2)nc1SCCN1CCOCC1 19758614 QECYQCBZALYEDH-UHFFFAOYSA-N 325.437 3.045 30 50 EGEA C#CCCC1(CCC(=O)N(C)Cc2ccn(-c3ccccc3)n2)N=N1 2325886274 BJDBSRRIXRYPLN-UHFFFAOYSA-N 335.411 3.186 30 50 EGEA C[C@@H]1SCc2c1nc(N)c(C#N)c2-c1ccc(O)c(CN(C)C)c1 71404228 UCGHDLFAUDCSJC-JTQLQIEISA-N 340.452 3.277 30 50 EGEA COc1ccc(-c2ccc(C)c(NC(O)=Nc3cnn(C)c3)c2)cn1 328586398 MWGLHNKDXMHNMA-UHFFFAOYSA-N 337.383 3.457 30 50 EGEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/N=C(/O)c1ccnc(C2CC2)c1 330267416 IBSSYWMMMIKNBI-YJBOKZPZSA-N 340.427 3.144 30 50 EGEA COc1ccc(OC)c(-c2cc(-c3cccnc3)c(C#N)c(N)n2)c1 33671413 KPVOBSMWHCDWIL-UHFFFAOYSA-N 332.363 3.282 30 50 EGEA CC(C)n1cc([C@@H]2CN(c3c(Cl)cccc3C#N)C[C@H]2CO)cn1 284627181 SKZTVLQRCPYQPB-HOTGVXAUSA-N 344.846 3.201 30 50 EGEA C=CCn1c(SCc2cc(C3CC3)on2)nnc1C1CCNCC1 426442806 AYLVCUWBULEBKO-UHFFFAOYSA-N 345.472 3.089 30 50 EGEA N#Cc1cccc(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)c1 95506057 IHQVWUNOBJWQFT-SFHVURJKSA-N 334.423 3.185 30 50 EGEA C=CCN(Cc1ccccc1F)C(=O)c1ccc(O)cc1[N+](=O)[O-] 170595779 PGIZMZUBXPRGFD-UHFFFAOYSA-N 330.315 3.268 30 50 EGEA CCOc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1 203887 PPJJSKRJCDDVGJ-SFHVURJKSA-N 341.407 3.226 30 50 EGEA C=C(C)C(=O)OCCOC(=O)Nc1cccc(Br)c1 2172443 GZSPZTXHNOXARE-UHFFFAOYSA-N 328.162 3.117 30 50 EGEA COc1ccc(C#N)cc1CN1C[C@H](O)C[C@@H]1c1cccc(F)c1 225651836 GMYAOPBZNOYZNU-QZTJIDSGSA-N 326.371 3.014 30 50 EGEA N#C[C@@H]1CCCC[C@@H]1OC(=O)CN1C(=O)CCCc2sccc21 170623086 GFIMCSGNRQCPCM-JSGCOSHPSA-N 332.425 3.043 30 50 EGEA CC(C)(C#N)c1ccccc1CN1CCC[C@H](c2cc[nH]c(=N)n2)C1 366883298 LUXFIUFSPOLOBL-INIZCTEOSA-N 335.455 3.070 30 50 EGEA CN1[C@H]2CCC[C@@H]1C[C@H](NC1CCC(C#N)(c3ccccn3)CC1)C2 2325778005 WOXLMFRCHQVJML-HNUODNMFSA-N 338.499 3.390 30 50 EGEA O/C(=N/CCc1cnc(C2CC2)nc1)[C@@H]1CCCN1C1CCCC1 328772072 JMCFTWIHAVFHBG-KRWDZBQOSA-N 328.460 3.260 30 50 EGEA Cc1cc(O)ccc1-c1cc(-c2ccc(N(C)C)nc2)c(C#N)c(N)n1 71763107 WIJJAPXIHFGFLH-UHFFFAOYSA-N 345.406 3.345 30 50 EGEA N#CC1(c2ccc(C(=O)N3CC[C@@H](O)c4ccccc4C3)cc2)CC1 375781225 VDUYZFJDOCMENS-LJQANCHMSA-N 332.403 3.321 30 50 EGEA N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCC(O)CC1 227154937 NNVCYDZKSJSENH-UHFFFAOYSA-N 333.391 3.251 30 50 EGEA CCn1cc(O[C@@H]2CCC[C@@H]2NCc2ccc(C#N)cc2F)cn1 685940445 ACWQKGYZBVLQCB-ZWKOTPCHSA-N 328.391 3.003 30 50 EGEA N#C[C@H](CO)Cc1cc(-c2ccc([C@@H]3CCC(=O)N3)cc2)ccc1F 904833598 PCTIEOKRMUNMAF-YJYMSZOUSA-N 338.382 3.118 30 50 EGEA COC(=O)c1ccc(N/C=C\C(=O)c2ccc3c(c2)OCO3)cc1 100281651 SXMFUIDYFDOFBW-HJWRWDBZSA-N 325.320 3.010 30 50 EGEA CC(O)=Nc1ccc(NC(=O)CN2CC[C@@H](c3ccncc3)C2)cc1 328596064 PZJVBAXHODDWPL-MRXNPFEDSA-N 338.411 3.118 30 50 EGEA Cc1c([C@H](C)NC(=O)c2ccc(C#N)nc2)cnn1-c1cccc(F)c1 91391045 WSGLMVZOWMHIRL-LBPRGKRZSA-N 349.369 3.078 30 50 EGEA CCC[C@H]1C(C#N)(C#N)[C@@]2(C#N)C(=N)O[C@@]1(C)O[C@H]2c1ccccc1 239203278 SBKVXNYVGBVMGA-LORHWOILSA-N 334.379 3.441 30 50 EGEA C[C@@H]1CN(Cc2ccc(C#N)cc2)CCN1Cc1cc(C#N)ccc1F 170596435 UOMHHIWHHINQOP-MRXNPFEDSA-N 348.425 3.275 30 50 EGEA CC(C)CCN/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1 16448085 FTTYZRDBRSUVKP-UHFFFAOYSA-N 330.453 3.458 30 50 EGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1C 135338 SIMCYGHRMFMNDZ-INIZCTEOSA-N 341.407 3.158 30 50 EGEA N#Cc1ccc(CN2CC[C@H]3OCCC[C@H]3C2)c(Br)c1 245534380 DVZPGBHYTSMKJR-GOEBONIOSA-N 335.245 3.322 30 50 EGEA COc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)no2)cc1OC 3908135 XQIYWAIXFQIZTF-UHFFFAOYSA-N 349.346 3.483 30 50 EGEA C=CCOc1ccccc1CN1CCC[C@H](N(C)CCCN(C)C)C1 20998750 GDTGNXLPEKRPND-FQEVSTJZSA-N 345.531 3.099 30 50 EGEA O=C1CCC(c2ccccc2)=C1CC(=O)N1Cc2ccccc2[C@@H](O)C1 82099319 SBJPBGUCBBISMD-NRFANRHFSA-N 347.414 3.269 30 50 EGEA CN(C)c1ccc(/C=C/C(=O)c2c(O)c3ccccc3oc2=O)cc1 96034870 RGEZPZWWPVZCIT-FMIVXFBMSA-N 335.359 3.461 30 50 EGEA O=[N+]([O-])c1ccc(N/N=C2/[C@@H]3[C@H]4C[C@@H]5[C@H]6C[C@@H]([C@H]25)[C@@H]3[C@@H]46)c([N+](=O)[O-])c1 245266928 KSEOYFBWVDHLNF-YQIOADKLSA-N 340.339 3.049 30 50 EGEA Cc1ccc(-c2nnc(S)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1 252429442 QAAZNAUPWJAYRO-UHFFFAOYSA-N 339.380 3.333 30 50 EGEA CC(C)[C@H]1O[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@@H]2c1ccccc1 169308206 LDYURYAXCISGAL-RRIFGTCXSA-N 334.379 3.092 30 50 EGEA Cc1ccc(NC(=O)C(=O)N(CCC#N)Cc2ccco2)c(Cl)c1 164259944 IEPDVODVWWALNW-UHFFFAOYSA-N 345.786 3.122 30 50 EGEA CC1(C)Cc2c(cnn2-c2ccncc2)CN([C@H]2CC[C@H](C#N)C2)C1 2325756959 WCHLQQURIMNZAZ-YJBOKZPZSA-N 335.455 3.344 30 50 EGEA Cc1ccc(N2C(=O)CS/C2=N/C(=O)NC2CCCCC2)cc1 101121248 MLUFFBBJMWRVBT-HTXNQAPBSA-N 331.441 3.473 30 50 EGEA CC(C)CN(CC#Cc1ccccc1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 55182864 NEAFDOCEADIVTQ-UHFFFAOYSA-N 347.418 3.006 30 50 EGEA CCOc1ccc(C#N)cc1NC1CCN(Cc2ccccn2)CC1 180740461 QRSDWTXXVQJYGV-UHFFFAOYSA-N 336.439 3.428 30 50 EGEA COc1cc(/C=N/NC(N)=S)ccc1OCc1ccccc1Cl 5236891 KHQCOCZAIUSZBP-DJKKODMXSA-N 349.843 3.095 30 50 EGEA CC(C)c1nc(C2(NC(=O)c3ccc(F)c(C#N)c3)CCCC2)no1 225461174 MYYPTXRPGPPSPL-UHFFFAOYSA-N 342.374 3.403 30 50 EGEA N#Cc1ccnc(N2CCC(CO)(Cc3ccc(Cl)cc3)CC2)c1 67855804 MQZWHAQFRNHTLT-UHFFFAOYSA-N 341.842 3.428 30 50 EGEA CC(C)=C1Oc2c(ccc3c2[C@@H](c2cnn(C)c2C)CC(=O)O3)C1=O 217865016 RRKDJJGVQUFWKI-GFCCVEGCSA-N 338.363 3.039 30 50 EGEA biogenic N#CC1(CNC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)CCC1 333555730 PWJLMVQCOAYSBC-MRXNPFEDSA-N 337.427 3.493 30 50 EGEA N#Cc1ccc(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1F 377529439 CPCDQMQPFWHQTD-HXUWFJFHSA-N 342.389 3.264 30 50 EGEA N#Cc1cccc2c1CCN2C(=O)c1cnc(-c2ccccc2)nc1 1436919941 SRACSHAGJXYDHI-UHFFFAOYSA-N 326.359 3.218 30 50 EGEA Cc1ccc(O[C@H](C)CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1 1669511827 GHACUPBNHRVRHS-DNVCBOLYSA-N 349.434 3.101 30 50 EGEA COc1ccc(/C=C/C(=O)c2sc(NC(N)=S)nc2C)cc1 6200992 ZRGMYZFFTQRGQC-VMPITWQZSA-N 333.438 3.012 30 50 EGEA CC[C@](C)(/N=C(/O)N=c1ccc(C2CC2)n[nH]1)c1nc(C)cs1 330070136 WVHNUFRSSVIRSM-INIZCTEOSA-N 331.445 3.192 30 50 EGEA CC(C)n1cc([C@H]2OCC[C@@H]2NCc2ccc(C#N)cc2F)cn1 888075939 CCGKWCFFWNXNLY-ZWKOTPCHSA-N 328.391 3.095 30 50 EGEA CC1(C)OB(C2=CCN(C(=O)CCc3ccccc3)CC2)OC1(C)C 1776000227 QBKOZXNWBVZPOO-UHFFFAOYSA-N 341.260 3.409 30 50 EGEA C#CCCC1(CCC(=O)N(Cc2nccn2C(F)F)C2CC2)N=N1 2325892150 BKEJEJIRQASLFU-UHFFFAOYSA-N 335.358 3.125 30 50 EGEA CC(C)(O)C#Cc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)s1 55226561 CMZSBBNQHPLZLL-UHFFFAOYSA-N 326.377 3.112 30 50 EGEA Cc1nsc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c1C#N 253425282 CFJMJZBQEYMARX-RNCFNFMXSA-N 340.408 3.170 30 50 EGEA COC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 68576147 DSKGYKJXZRFRDP-VKHMYHEASA-N 344.076 3.195 30 50 EGEA in-vitro C#CCN1C(=O)S/C(=C/c2cccn2-c2ccc(OC)cc2)C1=O 1167426 IKIWBLIFAIYNID-FOWTUZBSSA-N 338.388 3.155 30 50 EGEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)cc2)c1 1276550 NMDVVMONJYRKPO-LICLKQGHSA-N 326.381 3.204 30 50 EGEA COc1ccccc1/C=N/n1c(S)nnc1COc1ccccc1 1307054 AHUHABRBUSUWFN-WOJGMQOQSA-N 340.408 3.037 30 50 EGEA CCOc1ccc(N/C(=N/C(=O)CC)Nc2nc(C)cc(C)n2)cc1 18275836 XKKOQVLDGBQQIA-UHFFFAOYSA-N 341.415 3.309 30 50 EGEA Cc1cc(C)c2[nH]cc(C#N)c(=NCc3cccc4c3CCNC4)c2c1 2325858035 ZINMEBPVDLNQSA-UHFFFAOYSA-N 342.446 3.403 30 50 EGEA C#CCCC1(CCNC(=O)C[C@@H](c2ccccc2)c2ncc[nH]2)N=N1 2325891415 FGTVNGBQMODIEL-INIZCTEOSA-N 335.411 3.014 30 50 EGEA CC(=O)Nc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 2172840 JJFFNKQLNPUARZ-UHFFFAOYSA-N 346.202 3.416 30 50 EGEA biogenic Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/C(O)=N/Cc1ccccc1F 328613995 UUWBLRSFEHZKIE-YOEHRIQHSA-N 331.391 3.410 30 50 EGEA N#Cc1ccnc(NCc2cccnc2-n2cnc3ccccc32)c1 67842173 PIHIOCZEPOPFAX-UHFFFAOYSA-N 326.363 3.299 30 50 EGEA CC(O)=Nc1ccc(NC(=O)CN2CC[C@H](c3ccncc3)C2)cc1 328596063 PZJVBAXHODDWPL-INIZCTEOSA-N 338.411 3.118 30 50 EGEA CC(C)n1ncc2c1C[C@@H](/N=C(/O)Cc1ccc3c(c1)CCO3)CC2 329777521 KMWWUUSDNNGLBX-KRWDZBQOSA-N 339.439 3.455 30 50 EGEA C=CCOc1cccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c1 223254260 AGFUPIOIMDPISP-UHFFFAOYSA-N 341.319 3.199 30 50 EGEA C#CCCC1(CCC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)N=N1 952880483 GECBPVXLRGEODT-QGZVFWFLSA-N 326.444 3.070 30 50 EGEA C=CCCC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1C 1875359825 QSIMLAGERVRPBA-JTQLQIEISA-N 337.217 3.257 30 50 EGEA C=C(C)COc1ccccc1C(=O)NCCCc1c(C)n[nH]c1C 55099197 YAUSIHBRSAFRKN-UHFFFAOYSA-N 327.428 3.344 30 50 EGEA CC[C@@H]1CN(c2nc(C)ccc2C#N)CCC(=O)N1Cc1ccccc1 71756868 ZPBTYJRPTQSOSO-LJQANCHMSA-N 348.450 3.279 30 50 EGEA Cc1nsc(N2CCC[C@@H](N(C)Cc3ccccn3)CC2)c1C#N 283765425 NUNJDAPUZXLAHJ-MRXNPFEDSA-N 341.484 3.209 30 50 EGEA CCc1nc(C)c(-c2c(C#N)c(N)nc3c2Cc2c(O)cccc2-3)[nH]1 71405867 KCKQRXZKXNKZPL-UHFFFAOYSA-N 331.379 3.073 30 50 EGEA O=S(=O)(N/N=C/c1cccc(Cl)c1Cl)c1ccccc1 439212 JTJVMOCEZVLZOX-CXUHLZMHSA-N 329.208 3.306 30 50 EGEA C=CCNC(=O)N1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 14949632 WJAQQCYOCDJHMS-ZDUSSCGKSA-N 340.345 3.496 30 50 EGEA N#Cc1cccc(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)c1 1857678682 KJIDWVJLPJLGAI-UHFFFAOYSA-N 342.402 3.189 30 50 EGEA OC(=Nc1cnc2c(c1)CCCC2)N1CC[C@@H](n2cc(Cl)cn2)C1 329499661 HCZNQPQRIVOCGS-OAHLLOKOSA-N 345.834 3.303 30 50 EGEA C=C1CC[C@@]23C[C@@H](CC[C@@H]2[C@]12C[C@@H](c1ccoc1)OC2=O)OC3=O 248340245 UNKJMPBJRRFBEL-LKKZHYCFSA-N 328.364 3.316 30 50 EGEA biogenic CCC1=C[C@H]2C(=O)C(c3ccc(F)cc3)=CO[C@H]2C(CN(C)C)=C1O 22258451 XKWDSTQZFSKVBP-MGPUTAFESA-N 343.398 3.474 30 50 EGEA O=C1C2=C(NC(=S)N[C@@H]2c2ccc(Cl)cc2)c2ccccc21 1390283 QKYPDVVVCBSKTA-CQSZACIVSA-N 326.808 3.466 30 50 EGEA biogenic CC(C)[C@@H]1CN(C(=O)C2(C#N)CC2)CCCN1Cc1ccc(F)cc1 71747065 IAQRUEMHVVXTOG-SFHVURJKSA-N 343.446 3.188 30 50 EGEA Cc1noc([C@H](/N=C(/O)c2cccc3[nH]ccc23)C2CCOCC2)n1 328612739 PPUUTGSHLKOTQG-MRXNPFEDSA-N 340.383 3.332 30 50 EGEA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1ccc(Cl)cc1C#N 285004155 YIHYTCZKARVUDO-KZNAEPCWSA-N 334.847 3.228 30 50 EGEA CCn1cc([C@@H]2CSCCN2Cc2cccc(C#N)c2F)cn1 408522788 LSFQQMSLWAMBEG-INIZCTEOSA-N 330.432 3.204 30 50 EGEA N#CCN(CC#N)C(=O)c1ccc2cc(Br)ccc2c1 129535327 RQNWLUSOGSVDMV-UHFFFAOYSA-N 328.169 3.092 30 50 EGEA C=CCn1c(SCc2cn3ccccc3n2)nnc1-c1ccccn1 6699692 ZKQDRBOZCNLCED-UHFFFAOYSA-N 348.435 3.466 30 50 EGEA C=CCN(Cc1ccccn1)C(=O)COc1ccc(C(=O)CC)cc1 55368893 LFYSSXJKQWZCNE-UHFFFAOYSA-N 338.407 3.268 30 50 EGEA COc1ccccc1/C=N/n1c(S)nnc1-c1ccc(F)cc1 5911553 CBMXEQSTRFUGPL-VCHYOVAHSA-N 328.372 3.264 30 50 EGEA C=CCS(=O)(=O)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 12091364 QWYQPPRPEQCCCN-AWEZNQCLSA-N 329.412 3.125 30 50 EGEA C=CCOc1c(I)cc(/C=N/O)cc1OCC 13915458 KLKMXKOZSAKDFH-RIYZIHGNSA-N 347.152 3.063 30 50 EGEA Cc1ccc(/C=N/n2c(S)nnc2COc2ccccc2)s1 2700115 ALPDIYKVYDGADH-CXUHLZMHSA-N 330.438 3.398 30 50 EGEA C#CCCC1(CCC(=O)Nc2cc(CN(C)C)ccc2OC)N=N1 952880587 GVYXVEYOOBKBQO-UHFFFAOYSA-N 328.416 3.051 30 50 EGEA C=C1CCC(C(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)CC1 888762777 GIXGTGNNEFBCBV-UHFFFAOYSA-N 340.467 3.496 30 50 EGEA N#Cc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CCC3 127868 PPPYJVCKRAUYNJ-UHFFFAOYSA-N 334.404 3.491 30 50 EGEA O[C@@H](C#Cc1ccccc1)C#CC(O)(c1ccccc1)c1ccccc1 2473849 DXABUTUQUQBXDJ-QHCPKHFHSA-N 338.406 3.339 30 50 EGEA C=CCOC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCCC3 2479788 ZLAOMHXAEUFKIM-UHFFFAOYSA-N 328.364 3.088 30 50 EGEA C=CCOc1ccccc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 22023282 UTJGCAYNLNJEAD-AEFFLSMTSA-N 336.435 3.032 30 50 EGEA Cc1cccc2[nH]c(C3CCN(Cc4cc(C#N)n(C)c4)CC3)nc12 72154984 ZKUDWLBQVHEAFS-UHFFFAOYSA-N 333.439 3.461 30 50 EGEA C=CCOC(=O)[C@@H]1CC=CC[C@H]1C(=O)OCc1ccc(F)cc1F 23279735 TVWMSLAJFYBAJH-HUUCEWRRSA-N 336.334 3.320 30 50 EGEA CCOc1cc(/C=N/n2c(-c3ccco3)n[nH]c2=S)ccc1O 1305457 IFWDKBLFEMTLLZ-CXUHLZMHSA-N 330.369 3.187 30 50 EGEA O=C1Nc2ccccc2/C1=N/Nc1ncnc2sc3c(c12)CCCC3 4579324 DLILUTTVWBCQEU-UHFFFAOYSA-N 349.419 3.338 30 50 EGEA Cc1cccc(N=C(O)CN(C[C@H]2CCCO2)C(=O)N(C)C)c1C 330032017 HFNBUUIOLPSIPZ-OAHLLOKOSA-N 333.432 3.054 30 50 EGEA CC(C)[C@H](C#N)CS(=O)(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 2325803991 NTPKTWRNVCMZAG-IIAWOOMASA-N 340.876 3.301 30 50 EGEA C#CCCC1(CCC(=O)NCc2cnc(C)n2-c2ccccc2)N=N1 2325892595 SXRQLQVFUJDYIU-UHFFFAOYSA-N 335.411 3.153 30 50 EGEA CCn1ccnc1[C@@H]1CCCCN1C(O)=Nc1nc(COC)cs1 328588770 WFMHKSHTLQLQPX-ZDUSSCGKSA-N 349.460 3.279 30 50 EGEA C=CCNC(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 14948235 XRZMLMUBLZOJEH-UHFFFAOYSA-N 329.381 3.088 30 50 EGEA CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccnc21 169810090 FWSVXYOMGFESAP-UHFFFAOYSA-N 344.220 3.119 30 50 EGEA in-vitro N#C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(NC(=O)C3CCC3)cn2)C1 2325781412 NHQJBMXPRQLGOI-ZIAGYGMSSA-N 340.427 3.479 30 50 EGEA COc1ccccc1[C@@H]1C[C@@H]1NC(=O)[C@@H](C)Oc1ccccc1C#N 229410897 SWANXWKAMIWCIQ-COXVUDFISA-N 336.391 3.006 30 50 EGEA N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)cn1 72425619 ZTPRXCJFPWFMMV-QGZVFWFLSA-N 349.369 3.336 30 50 EGEA C/C(=N\Nc1nncc(-c2ccccc2)n1)c1cc([N+](=O)[O-])cs1 5006144 CNKXVXTYXPNAGH-VCHYOVAHSA-N 340.368 3.344 30 50 EGEA C#CCCCCC(=O)OCc1cccc(S[C@@H]2CCN(C)C2=O)c1 888099189 CESWUHRQIXKSAP-QGZVFWFLSA-N 345.464 3.246 30 50 EGEA C[C@@H]1CC[C@H]2[C@H](C[C@@H]3C[C@@]2(O)C2=CC(=O)[C@H]4CCCC[C@@H]4[C@H]23)N1C 238733401 ATJYANLRBFNIEG-FBMLLKETSA-N 329.484 3.172 30 50 EGEA biogenic C#CC[C@@H]1CCCN(C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)CC)C1 843682906 ZNBIPDBKRLOAIL-SCTDSRPQSA-N 340.467 3.093 30 50 EGEA C=CCCNC(=S)NC(=O)c1cc(Br)ccc1Cl 2852042 UWKXYWQDZJIBIX-UHFFFAOYSA-N 347.665 3.283 30 50 EGEA CN1C(=O)C[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C1CC(C)(C)CC2=O 2905235 IDPPEDDMOJOGDC-ZDUSSCGKSA-N 328.368 3.184 30 50 EGEA C=CCN1C[C@@H](C(=O)N(CCCC)Cc2ccsc2)CCC1=O 55413412 DCQLHYMLOZRXIA-INIZCTEOSA-N 334.485 3.301 30 50 EGEA Cc1ccccc1-c1cc(NCc2cccc(C#N)c2)n(CCO)n1 237692166 PDIVJZUAAKFHNX-UHFFFAOYSA-N 332.407 3.335 30 50 EGEA CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ncccc1C 534667083 YNALEIMDUIQCCT-CQSZACIVSA-N 349.843 3.345 30 50 EGEA C[C@@H](c1ccc2c(c1)OCCO2)N(C)Cc1cc(C#CCO)cs1 952965282 GCIRVKCCVQDIRT-AWEZNQCLSA-N 343.448 3.056 30 50 EGEA Cc1ccnc(N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c1C#N 225519660 JLYVTWLEJDIXGD-LLVKDONJSA-N 335.333 3.388 30 50 EGEA CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O 28539035 AVBJHQDHVYGQLS-AWEZNQCLSA-N 329.437 3.342 30 50 EGEA in-vitro C#CCCC1(CCNC(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)N=N1 2325891067 OQGPPMWQYUKBOK-UHFFFAOYSA-N 348.410 3.045 30 50 EGEA Cc1nc(C(C)C)cc(N2CCN(Cc3cccc(C#N)c3)CC2)n1 65451906 NMDLLYKTLBMBLS-UHFFFAOYSA-N 335.455 3.102 30 50 EGEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 281045164 RMKSTBZHAXVFHV-XWSJACJDSA-N 344.455 3.187 30 50 EGEA CC(=O)NCc1ccc([C@H]2CCCN2c2ccc(C#N)cc2F)o1 372063608 TTYPUDOQRCZVQS-QGZVFWFLSA-N 327.359 3.268 30 50 EGEA N#Cc1ccnc(N2CCO[C@H](c3ccc(Br)cc3)C2)c1 283769364 OMZXFRQDVCIPLG-HNNXBMFYSA-N 344.212 3.294 30 50 EGEA CC(C)(C)OC(=O)N1CCC(C#N)(Nc2ccc([N+](=O)[O-])cc2)CC1 953067021 HSIIXVXTSGPOEL-UHFFFAOYSA-N 346.387 3.300 30 50 EGEA CN([C@@](C)(C#N)C1CC1)S(=O)(=O)c1ccc(CC(F)(F)F)cc1 194814238 QXIJYBDOBQDERG-AWEZNQCLSA-N 346.374 3.104 30 50 EGEA CC[C@@H](CC#N)NC(=O)c1c(C)ccc(Br)c1OC 424793539 ZVWDIEGKKLGGHI-JTQLQIEISA-N 325.206 3.188 30 50 EGEA Cn1ccnc1SCC(=O)Nc1sc2c(c1C#N)CCCCC2 14067062 ADVSSJHVDIACKU-UHFFFAOYSA-N 346.481 3.353 30 50 EGEA C[C@@H](C(=O)N=c1[nH][nH]c(C2CC2)c1C#N)c1cccc2ccccc12 1875295918 VOZIKPKIGLXLPS-GFCCVEGCSA-N 330.391 3.476 30 50 EGEA C=C(C)Cn1c(-c2cc(C(C)C)ncn2)nnc1N1C[C@H]2CCC[C@@H]21 2325771413 OLSRCSMRZDUVLX-PBHICJAKSA-N 338.459 3.423 30 50 EGEA Cc1ccc(S(=O)(=O)OC[C@]2(C)C(=O)C[C@]3(C(C)C)C[C@H]32)cc1 257356748 KAYDIWFMEXYNLW-SZMVWBNQSA-N 336.453 3.342 30 50 EGEA Cc1ccc(O[C@@H](C)CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1 1669511829 GHACUPBNHRVRHS-KXBFYZLASA-N 349.434 3.101 30 50 EGEA CCn1ncnc1C/N=C(/O)N1CCC[C@@H]1Cc1ccccc1Cl 328589023 XWFFBOMRQIITOW-CQSZACIVSA-N 347.850 3.073 30 50 EGEA Cc1ccc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)nc1C#N 328587891 HSIIBFNEUZJFJM-INIZCTEOSA-N 345.349 3.441 30 50 EGEA Cn1cncc1[C@@H]1C[C@H](/N=C(/O)[C@@H]2C[C@@H]2c2ccccc2)CCO1 328631824 RJTLCCHVSIDEJA-KONPQCLYSA-N 325.412 3.400 30 50 EGEA C=CCOc1ccccc1CN[C@@H]1COc2c(cccc2OC)C1 20202811 RMSQFLYIYMKBLF-KRWDZBQOSA-N 325.408 3.353 30 50 EGEA C[C@H](Nc1nc2ncccc2cc1C#N)c1ccc2nc(O)[nH]c2c1 1472658882 FFIMDFUSLQEEFP-JTQLQIEISA-N 330.351 3.256 30 50 EGEA C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/N=C/c1ccco1 4075947 FNZMMCQYVQMZBQ-LYHVSDRMSA-N 339.420 3.342 30 50 EGEA Cc1noc([C@@H](/N=C(/O)Cc2ccc(F)cc2)C2CCOCC2)n1 328614687 WPOABXLILDAXCG-INIZCTEOSA-N 333.363 3.184 30 50 EGEA C[C@@H](O)CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 129630116 IZBCLCULJCFSGK-LLVKDONJSA-N 330.771 3.115 30 50 EGEA Cc1nnc([C@@H]2CC23CCN(Cc2ccc(C#N)c(F)c2)CC3)o1 364473237 RBDLNAXWAWOQFZ-HNNXBMFYSA-N 326.375 3.159 30 50 EGEA C=CCC(O)(CC=C)[C@@H](C)Nc1nncc(-c2ccc(OC)cc2)n1 12452953 XVIGMDIATMZAFR-CQSZACIVSA-N 340.427 3.231 30 50 EGEA N#Cc1cccc(N2CCC(CO)(CCOc3ccccc3)CC2)n1 67805176 DNSLPGZXEXXGGG-UHFFFAOYSA-N 337.423 3.001 30 50 EGEA COc1cc(NC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc(OC)c1 293931272 YWJBTWSEQFAWRK-WMLDXEAASA-N 329.444 3.272 30 50 EGEA C=C[C@H]1C[N@+]2(C)CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 252462453 SJTSZVLGFLZBFK-NYDWQMLGSA-N 339.459 3.318 30 50 EGEA biogenic CCN(Cc1ccc(C(=O)N(C)C)cc1)c1ccc(Cl)c(C#N)n1 269355200 KWKRQBXVTBLVAR-UHFFFAOYSA-N 342.830 3.335 30 50 EGEA COC(=O)Cc1cccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 186994555 GGXKRTMMHSKHKS-UHFFFAOYSA-N 339.395 3.083 30 50 EGEA C=CCNc1ncnc2sc(C(=O)N(CC=C)CC=C)c(C)c12 12037982 LJQGEQUIUMVOKD-UHFFFAOYSA-N 328.441 3.412 30 50 EGEA Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 4123364 ZNJWGJJSSXQZJK-UHFFFAOYSA-N 342.380 3.209 30 50 EGEA C#CCCC1(CCC(=O)N(Cc2ccccc2)[C@H]2CCOC2)N=N1 2325900335 ULCNEEMIKSHTMT-KRWDZBQOSA-N 325.412 3.160 30 50 EGEA CCOC(=O)[C@H](OS(=O)(=O)c1ccc(C)cc1)c1ccccc1 2172781 PULJAZHCGDDGFR-MRXNPFEDSA-N 334.393 3.005 30 50 EGEA C=CCOc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 4843479 WBTMKQOETGRHKB-UHFFFAOYSA-N 340.398 3.353 30 50 EGEA N#Cc1ccc(N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)cn1 280416161 JKLXAUVUQSOFOT-XJKSGUPXSA-N 333.313 3.284 30 50 EGEA O=S(=O)(O[C@@H]1CC[C@@H]2CC[C@@H]21)c1ccc(Br)cc1 104949365 ICMSWNALDAFPPO-TVYUQYBPSA-N 331.231 3.343 30 50 EGEA CC1(C)OB(c2ccc3cnn([C@@H]4CCCCO4)c3c2)OC1(C)C 170024189 SXVSMJSODQLQDT-INIZCTEOSA-N 328.221 3.035 30 50 EGEA CC(C)(C)OC(=O)Nc1cc(NC(=O)CC#N)c(F)c(F)c1F 952877870 WMUHAZIFTUOYGC-UHFFFAOYSA-N 329.278 3.303 30 50 EGEA O=C(NO)c1cnc(NC2(c3ccccc3)CCC(F)(F)CC2)nc1 1772574695 MRWCVKLVSWYIFO-UHFFFAOYSA-N 348.353 3.112 30 50 EGEA CC1(C)CCCN(C(=O)c2cccc(Nc3cnccn3)c2)[C@@H]1C#N 225499871 LLTYVHOXJAAZJH-MRXNPFEDSA-N 335.411 3.375 30 50 EGEA O/C(=N/[C@@H]1CCO[C@@H](C2CC2)C1)Nc1nccn1-c1ccccc1 328595707 BNJSSOPSBDHGSB-GDBMZVCRSA-N 326.400 3.156 30 50 EGEA Cn1cncc1[C@@H]1C[C@H](/N=C(/O)Cn2ccc3ccccc32)CCO1 328614904 AOFCTFLJRXQFQL-QAPCUYQASA-N 338.411 3.252 30 50 EGEA Cc1ccc(NCc2cn3ccccc3c2C#N)cc1S(C)(=O)=O 193472602 VMDQLRLJPCAGDU-UHFFFAOYSA-N 339.420 3.135 30 50 EGEA C[C@@H]1CCCN(CCOc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 303245074 LCBBPGYSXWRWGZ-MRXNPFEDSA-N 345.292 3.097 30 50 EGEA CCn1cc([C@@H]2OCC[C@H]2CNc2ncc(C#N)cc2Cl)cn1 886071934 JBEGCXJLQONADA-SWLSCSKDSA-N 331.807 3.013 30 50 EGEA COc1cc(CN2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)ccc1C#N 343371763 QODBCKUEWGWCQC-YJBOKZPZSA-N 344.361 3.153 30 50 EGEA CC(C)=C[C@@H]1[C@H](C(=O)[C@H](C#N)c2nnc3n2CCCCC3)C1(C)C 248203501 YABIVITXGIMWIO-SQWLQELKSA-N 326.444 3.419 30 50 EGEA CCCCO[C@@H]1C[C@H](N[C@@H](C)C(=O)NC2(C#N)CCCCC2)C1(C)C 253430377 QMAXBBCALVFHAA-YESZJQIVSA-N 349.519 3.291 30 50 EGEA N#Cc1cc(I)cc(Br)c1F 36532900 MNSJLMXWCZEFKV-UHFFFAOYSA-N 325.906 3.064 30 50 EGEA CC(C)n1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(Cl)c2)cn1 170605045 SIZUFVZRZLZNGW-AWEZNQCLSA-N 330.775 3.079 30 50 EGEA C[C@@H](NC(=O)N1CCC([C@@H]2CCCO2)CC1)c1cccc(C#N)c1 253429775 UPWULCYLILYBES-KDOFPFPSSA-N 327.428 3.220 30 50 EGEA CN(C(=O)c1ccc(Nc2ccc(C#N)cc2)nn1)c1ccccc1 244325166 XKRRAOAQCORITD-UHFFFAOYSA-N 329.363 3.368 30 50 EGEA C#CCOc1cccc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)c1 72117637 HUNYNDKGJKRAMB-QGZVFWFLSA-N 335.407 3.484 30 50 EGEA CC(C)(C(=O)N1C[C@@H](C#N)[C@H](c2ccccc2)C1)C1CCC(O)CC1 333240728 ZVJSNIXFBUVPAR-UGXKVIGPSA-N 340.467 3.329 30 50 EGEA C=CCN(Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C 642881978 OAIABNLBYRDLEZ-UHFFFAOYSA-N 337.332 3.426 30 50 EGEA Cn1cc(CN[C@H]2CCO[C@H](C3CC3)C2)c(-c2ccc(C#N)cc2)n1 156809177 IHNIFACETKEESN-OALUTQOASA-N 336.439 3.006 30 50 EGEA N#Cc1cc(F)cc(C(=O)N2CCCN(Cc3cccs3)CC2)c1 77356568 WCFRVPBEQYMFIV-UHFFFAOYSA-N 343.427 3.107 30 50 EGEA C=C(C)[C@H]1OCCC[C@H]1C(=O)N(Cc1ccco1)C[C@H]1CCCO1 241869005 STRXQQZSNOKTQB-KZNAEPCWSA-N 333.428 3.159 30 50 EGEA CC(=O)[C@@H]1C[C@H](O)[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 71770793 TXSVIPOXNODKEY-FSEDFMJGSA-N 328.452 3.470 30 50 EGEA Cc1cc(C(=O)Cn2cc(C#N)ccc2=O)c(C)n1Cc1ccccc1 197195134 FMYGNANMYYHBSU-UHFFFAOYSA-N 345.402 3.070 30 50 EGEA in-vitro Cc1ccc(C(=O)O/N=C(\N)c2ccc(Br)cc2)cc1 4191378 UISPMHKDFGTWKI-UHFFFAOYSA-N 333.185 3.235 30 50 EGEA aggregator C=C(C)CNc1ccc(C(=O)N2CCN(C(C)C)[C@H](CC)C2)cn1 12429789 RWYSMSSHZOURRT-QGZVFWFLSA-N 330.476 3.014 30 50 EGEA Cc1cc(NC(=O)OC(C)(C)C)cnc1B1OC(C)(C)C(C)(C)O1 169969244 QBULHKHQUCMAEA-UHFFFAOYSA-N 334.225 3.036 30 50 EGEA N#Cc1ccc(N2CCC(C(=O)N[C@H]3CC[C@@H]3C3CC3)CC2)c(F)c1 1875255874 FLWBAWIBPBBPDM-AEFFLSMTSA-N 341.430 3.219 30 50 EGEA O=C1N/C(=N\c2ccccc2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1 16956637 YWAGAWNYNWPBQU-CQSZACIVSA-N 327.365 3.057 30 50 EGEA N#Cc1ccc(CN2CC[C@@H]3OCCC[C@H]3C2)c(Br)c1 245534382 DVZPGBHYTSMKJR-HOCLYGCPSA-N 335.245 3.322 30 50 EGEA C=CCn1cc(CNCCOc2cccc3ccc(C)nc23)c(C)n1 55576207 GPGGGJMPDLNGGW-UHFFFAOYSA-N 336.439 3.403 30 50 EGEA COc1ccnc(C/C(O)=N/Cc2ccccc2Cn2cccn2)c1 328594458 LKLMICQVXSXGOV-UHFFFAOYSA-N 336.395 3.034 30 50 EGEA C[C@H]1COCCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 373063664 OWINZRKAYRWTBX-OAHLLOKOSA-N 325.412 3.054 30 50 EGEA CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1 17068363 QPHZERASANRUED-RNEAKCBISA-N 332.425 3.218 30 50 EGEA CN(C)Cc1ccc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)o1 97360060 FFKLMGGHZNQREX-UHFFFAOYSA-N 337.423 3.039 30 50 EGEA CCN1C(=O)[C@](O)(CC(=O)/C=C/C=C/c2ccccc2)c2ccccc21 4184221 GMZFERDQFWXEAH-ZNLFEDBPSA-N 347.414 3.470 30 50 EGEA Cc1noc(C)c1CN1CCN(c2ccc(Cl)cc2C#N)CC1 264178890 YKUWPBCFPQWHMN-UHFFFAOYSA-N 330.819 3.139 30 50 EGEA Cn1c([C@@H](C#N)C(=O)c2ccc3nsnc3c2)nc2ccccc21 390833144 CUHOYHRACMSNHD-NSHDSACASA-N 333.376 3.068 30 50 EGEA C=CCNC1=C(Cl)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 1769074 BEDAXBDTVQIUNZ-UHFFFAOYSA-N 331.586 3.093 30 50 EGEA CCOC(=O)c1sc2nc(N)c(C#N)c(-c3ccccc3)c2c1N 22343186 BHTNSGLNVCGPLC-UHFFFAOYSA-N 338.392 3.176 30 50 EGEA Cc1nc(CC/N=C(/O)C2CCN([C@@H]3CCSC3)CC2)cs1 328592659 XJSXIPNDILPWEY-OAHLLOKOSA-N 339.530 3.168 30 50 EGEA C#CCOc1ccccc1NC(=O)N1CCCC[C@H]1c1ccnn1C 281907128 IMTYXCVZFCFUAJ-KRWDZBQOSA-N 338.411 3.191 30 50 EGEA Cn1cnnc1[C@@H]1CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 121370521 WNQVZVJXNYBSNB-GFCCVEGCSA-N 335.333 3.090 30 50 EGEA CN1CCC([C@H]2CCN(C(=O)CC/N=C(/O)C3CCCCC3)C2)CC1 328752027 CSLFPDJNOQFFQK-SFHVURJKSA-N 349.519 3.104 30 50 EGEA COc1cccc(S(=O)(=O)c2oc(-c3ccccc3)nc2C#N)c1 334162150 KVSGCAROGRWDOU-UHFFFAOYSA-N 340.360 3.055 30 50 EGEA C#CCN1C(=O)S/C(=C/c2ccc(OCC)cc2OCC)C1=O 2993254 RNGSWLAQGKKJQC-XNTDXEJSSA-N 331.393 3.154 30 50 EGEA CCSC1=N/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)S1 4755317 HMCMRJNNMLUOLJ-POHAHGRESA-N 339.438 3.436 30 50 EGEA CN(C)CCC[C@]1(c2ccc(F)cc2)OC(=O)c2cc(C#N)ccc21 22065573 ASGSMDPSNUXWMB-HXUWFJFHSA-N 338.382 3.453 30 50 EGEA in-vitro C[C@@H](Cc1ccc(C(F)(F)F)cc1)/C(O)=N/CC1=NN(C)C(=O)C1 328591393 BMOUMRMNYAMKMS-JTQLQIEISA-N 341.333 3.059 30 50 EGEA COc1cccc(OC[C@@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)c1 72156625 MEAONWURPHVNGP-MRXNPFEDSA-N 339.439 3.196 30 50 EGEA Cc1nc(-c2cc3c(s2)CCN(c2cnc(C#N)cn2)C3)cs1 128957875 KOLQDKDXYXUTQY-UHFFFAOYSA-N 339.449 3.404 30 50 EGEA C=CCOc1ccc(CNCc2ccc(C(=O)O)cc2)cc1OC 5243759 XMNFMSGWCSLBLS-UHFFFAOYSA-N 327.380 3.248 30 50 EGEA C#CCCC1(CCC(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)O)N=N1 952876483 RXBDROWTACZLQF-JKSUJKDBSA-N 345.443 3.224 30 50 EGEA N#Cc1ccc([C@H]2CN(C(=O)Nc3cccnc3C3CC3)CCO2)cc1 2325782089 WGGNULOIEDHEBS-GOSISDBHSA-N 348.406 3.436 30 50 EGEA CCCCc1n(C)c(=O)c2ccccc2[n+]1CC(=O)c1ccccc1 2546757 XAPAUDLNALNLDK-UHFFFAOYSA-N 335.427 3.052 30 50 EGEA C=CCn1cc(CN(CC)CCc2nc3ccc(F)cc3[nH]2)c(C)n1 55359370 HSUCACXHGUJKAF-UHFFFAOYSA-N 341.434 3.458 30 50 EGEA Cc1cc([C@@H]2CCCN2CCCC(=O)Nc2ccc(C#N)cc2)on1 244874842 XIDPPGSROKMZAH-KRWDZBQOSA-N 338.411 3.411 30 50 EGEA COC[C@H](NC(=O)c1ccc2ncsc2c1)c1cccc(C#N)c1 2325817370 MKPKMMWWPGOVQS-INIZCTEOSA-N 337.404 3.285 30 50 EGEA CCn1c2ccccc2c2nnc(N/N=C/c3ccc(O)cc3)nc21 3898148 OZEREDBAPCSGST-YBFXNURJSA-N 332.367 3.151 30 50 EGEA COc1cccc(-c2cc(/C(O)=N/c3nn[nH]n3)c3ccccc3n2)c1 8495094 VJRKLONJZKHAEU-UHFFFAOYSA-N 346.350 3.060 30 50 EGEA OC1=Nc2cc(C(O)=Nc3nccc4sccc34)cnc2OC1 328593972 FHUMTMVGQFMUAH-UHFFFAOYSA-N 326.337 3.308 30 50 EGEA COc1cc(N=C(O)N2CCOC[C@@H]2c2ccccc2)ccc1F 328588444 PJZGTEOBDZZFBS-MRXNPFEDSA-N 330.359 3.453 30 50 EGEA C#CCCCC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C 496400982 GXEPRQSYZIPGPO-MRXNPFEDSA-N 348.487 3.428 30 50 EGEA Cc1ccc([C@@H]2CCCN2[C@H]2CCN(c3sccc3C#N)C2=O)o1 267579458 FYKXXUGFYCTLRC-GJZGRUSLSA-N 341.436 3.464 30 50 EGEA CC1(C#N)CCN(C(=O)NCc2sccc2Br)CC1 272421667 DHNZJBJYWLSSBI-UHFFFAOYSA-N 342.262 3.346 30 50 EGEA C#CCCC1(CCNC(=O)c2ccc(F)c(COCC3CC3)c2)N=N1 2325890960 IEWXMUKQENHUSJ-UHFFFAOYSA-N 343.402 3.448 30 50 EGEA C=CCOc1ccccc1C(=O)N1CCc2c(nc(C(C)C)n2C)C1 112666085 QNQFTRMQOZCLNE-UHFFFAOYSA-N 339.439 3.307 30 50 EGEA C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1 248054677 BSQCDQFQSOUOBZ-HLIPFELVSA-N 339.483 3.355 30 50 EGEA C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C/C=C1\C=COC1=O 148146188 YIIRVUDGRKEWBV-HOHGAXEVSA-N 332.440 3.115 30 50 EGEA CCCCCCCC(=O)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 1455768097 RJJVXQFSAVRQQF-LBPRGKRZSA-N 346.397 3.380 30 50 EGEA CC[C@@H]1C[C@H](CC(=O)N[C@@]2(C#N)CCc3ccccc3C2)CCO1 274443945 FRECXDWADVTFLT-ZTNFWEORSA-N 326.440 3.149 30 50 EGEA C[C@]1(N2CCOCC2)CCN(c2c(Cl)cc(C#N)cc2Cl)C1 1875405527 IKCXDBGLGJHPJL-INIZCTEOSA-N 340.254 3.166 30 50 EGEA C#CCCC1(CCC(=O)N2CC[C@@H]3C[C@@H](CC(=O)O)CC[C@H]3C2)N=N1 2325901016 QLFIPQKMQCJJIA-XHSDSOJGSA-N 345.443 3.082 30 50 EGEA Cc1cc(C)n2ncc(CN3CCC(C#N)(c4ccccc4)CC3)c2n1 215930612 JRPGQFFIUQNEPG-UHFFFAOYSA-N 345.450 3.404 30 50 EGEA N#Cc1ccc(-c2nnc(CN3CCC[C@@H](c4ccncc4)C3)o2)cc1 295945372 LMCLZMYEOBQSQV-GOSISDBHSA-N 345.406 3.383 30 50 EGEA CCNC(=S)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 2390795 MQASSOLEBJZUEL-UDWIEESQSA-N 343.452 3.092 30 50 EGEA C=CCC(=O)NC[C@H]1Cc2c(ccc3cc(-c4ncccn4)ccc23)O1 12038323 INKSUKQSJPSKGE-MRXNPFEDSA-N 345.402 3.293 30 50 EGEA Cc1cnn(C/C(O)=N/[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1 328861959 FKEMOSBAOKRGQS-WBVHZDCISA-N 332.835 3.247 30 50 EGEA Cc1nnc([C@]23CCC[C@H]2CN(c2cccc(Cl)c2C#N)C3)o1 912373080 ZCRKDRGJIKMORU-SJCJKPOMSA-N 328.803 3.461 30 50 EGEA C#CCCC1(CCC(=O)N=c2ccc3cccc(OCC)c3[nH]2)N=N1 2325892981 ZFOKICPICGIJCD-UHFFFAOYSA-N 336.395 3.350 30 50 EGEA CC(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 6741593 FJPQBWXMLQYJIG-UHFFFAOYSA-N 345.468 3.086 30 50 EGEA COC(=O)c1cccc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)c1 67678061 UIUHFCIZDVRUFX-UHFFFAOYSA-N 345.358 3.362 30 50 EGEA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C[C@H](C#N)CCC#N 352901302 JTDGDXZRMDEQOA-JYJNAYRXSA-N 334.464 3.036 30 50 EGEA N#C[C@@H]1CN(c2ccnc3ccsc23)C[C@@]12C(=O)Nc1ccccc12 253392188 BZSLHAAJZZPWSG-CWTRNNRKSA-N 346.415 3.146 30 50 EGEA N#Cc1cncnc1N1CCC[C@H](c2nc3c(s2)CCCC3)C1 328598984 POFFYDJDWBMHEC-LBPRGKRZSA-N 325.441 3.068 30 50 EGEA C[C@H]1CCCCN1CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 303246358 QNJFPGPSCWAIRH-INIZCTEOSA-N 345.292 3.239 30 50 EGEA C#CCCC1(CCC(=O)Nc2ccc(CN3CCCCC3)nc2)N=N1 1875367161 UEXNNXVYLMWVCN-UHFFFAOYSA-N 339.443 3.362 30 50 EGEA C=CCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 4868885 BTDBBOSTALSUTQ-UHFFFAOYSA-N 328.324 3.421 30 50 EGEA Cc1noc(C)c1CN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 109351834 VJAJHRWPPZBKAS-OAHLLOKOSA-N 328.391 3.061 30 50 EGEA COc1ccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)cc1F 67818849 DPUGHZQQFUAPMU-XHDPSFHLSA-N 338.386 3.042 30 50 EGEA Cc1cc([C@H]2CCCN2CCCC(=O)Nc2ccc(C#N)cc2)on1 244874843 XIDPPGSROKMZAH-QGZVFWFLSA-N 338.411 3.411 30 50 EGEA C=C[C@@H]1C[N@@+]2(C)CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 252441358 SJTSZVLGFLZBFK-UPRHPDDXSA-N 339.459 3.318 30 50 EGEA C=CCC(=O)N(CCOC)CC1CCN(Cc2ccccc2F)CC1 11997357 ZXAPWFOATUIWDV-UHFFFAOYSA-N 348.462 3.089 30 50 EGEA C=CCOc1ccccc1CN1CCN(C2CCCC2)[C@@H](CCO)C1 19300521 IZPCHOJBEQYCOI-FQEVSTJZSA-N 344.499 3.063 30 50 EGEA C=CCNc1ccccc1C(=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 101270192 NWNCWRKSJLTJAT-SNEKZUEESA-N 326.440 3.098 30 50 EGEA C=CCc1cc([C@@H]2CC(=O)Nc3n[nH]cc32)cc(OCC)c1OC 65432527 LWGTXRYBWUKMLO-ZDUSSCGKSA-N 327.384 3.020 30 50 EGEA C[C@@H](C(O)=Nc1ccc(F)c(F)c1)N1CCC[C@H](n2cccn2)C1 328721992 XFMZBLBSQADLRB-JSGCOSHPSA-N 334.370 3.475 30 50 EGEA N#Cc1cc(-c2ccc(C(=O)N3CCCC[C@H]3CO)cc2)ccc1F 426627886 ZDLMNQMWKMBWQI-SFHVURJKSA-N 338.382 3.351 30 50 EGEA C[C@H]1C[C@@H]1c1nc(C#N)c(N2CCN(c3ccccc3F)CC2)o1 1775965150 GJCGXVGPTJERKT-STQMWFEESA-N 326.375 3.135 30 50 EGEA C[C@H](O)CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 127826445 IZBCLCULJCFSGK-NSHDSACASA-N 330.771 3.115 30 50 EGEA N#Cc1ccc(N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cc1Cl 253392205 GISCPFDVWXVZBS-ORAYPTAESA-N 348.793 3.062 30 50 EGEA C[C@H](C#N)C(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 952891140 BDQRPRGEAXWRIB-CYBMUJFWSA-N 340.402 3.082 30 50 EGEA C=CCc1ccccc1OCCn1c(CNC=O)nc2ccccc21 4809921 XUVTXIFHXYIPQT-UHFFFAOYSA-N 335.407 3.090 30 50 EGEA COc1cccc(OC)c1Oc1cc(C#N)c(C#N)cc1[N+](=O)[O-] 1427050 STPJPWRSJUVAGS-UHFFFAOYSA-N 325.280 3.148 30 50 EGEA Cc1ncsc1/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328623116 IWOFNGWGSZWCAG-SECBINFHSA-N 344.362 3.234 30 50 EGEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1c[nH]c2ccccc12 71762584 ZXJMJUGXHGPEGE-UHFFFAOYSA-N 328.379 3.393 30 50 EGEA N#Cc1cc2c(nc1NCc1cccnc1-n1cccn1)CCCC2 270990016 UJXJZTHYIXBWMG-UHFFFAOYSA-N 330.395 3.025 30 50 EGEA C[C@@H](C#N)CN(C)Cc1nc(N)c2c3c(sc2n1)CCCCC3 169978629 XABHUZGORZCZHC-NSHDSACASA-N 329.473 3.134 30 50 EGEA O=[N+]([O-])c1ccccc1/C=N/N=C(\Nc1ccccn1)c1ccccn1 8036150 URVIIWABLXZTHP-FYJGNVAPSA-N 346.350 3.278 30 50 EGEA C=C[C@H]1OCC[C@@H]1C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 1857530671 LAWFNZCYUBDBHG-MEDUHNTESA-N 336.794 3.210 30 50 EGEA C#CCCC1(CCNC(=O)Cc2csc(-c3ccoc3)n2)N=N1 1875368579 BWBRTJSLYRUMBM-UHFFFAOYSA-N 328.397 3.027 30 50 EGEA CN1C(=O)[C@@](O)(CC(=O)/C=C/C=C/c2ccccc2)c2ccccc21 2988188 DHXLGCCCWUZASP-ZCKJQCEFSA-N 333.387 3.079 30 50 EGEA C=CCn1cc(CNCCc2nccc(-c3ccccc3)n2)c(C)n1 63844550 KXIVNYOULKVYRH-UHFFFAOYSA-N 333.439 3.167 30 50 EGEA CCc1nc(/C(O)=N/[C@H](c2nc(C(C)C)no2)C2CCOCC2)co1 328611884 MZZBDBLGNIRTJS-AWEZNQCLSA-N 348.403 3.216 30 50 EGEA Cn1cc(/C(O)=N/Cc2cc3ccccc3o2)c([C@H]2CCOC2)n1 328621259 HQFHCLREFHNICG-ZDUSSCGKSA-N 325.368 3.175 30 50 EGEA CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328638943 PGGSIXZNOLXQSL-PXNSSMCTSA-N 338.430 3.217 30 50 EGEA CCC(=O)Nc1cccc(-c2cc([C@@H]3CCOC3)c(C#N)c(N)n2)c1 71736319 UHUPMXLCGRPCPW-CYBMUJFWSA-N 336.395 3.055 30 50 EGEA Cc1cccc(CC2(NC(=O)c3ccc(C#CC(C)(C)O)o3)CC2)c1 1506413216 IKCLIWMYUXFSAU-UHFFFAOYSA-N 337.419 3.216 30 50 EGEA COc1ccccc1-c1nnc(S)n1/N=C/c1ccc(C)s1 5969506 GTRDEZJHFFKBQT-CXUHLZMHSA-N 330.438 3.495 30 50 EGEA Cc1ccc(C)c(S(=O)(=O)N/N=C/c2c(F)cccc2Cl)c1 311913 CTLJHEIOKFAOML-GIJQJNRQSA-N 340.807 3.408 30 50 EGEA CCOc1ccc(N/C(N)=N/c2nc(C)cc(C(F)(F)F)n2)cc1 18118530 WVOTYSAYYFOYEW-UHFFFAOYSA-N 339.321 3.261 30 50 EGEA Cc1c(C#N)c(N2CCO[C@H](c3cccnc3)C2)nc2ccccc12 1857666753 VRSOPEMJTFSSON-IBGZPJMESA-N 330.391 3.388 30 50 EGEA N#Cc1cccc(OC2CCN(c3nccc(C(F)(F)F)n3)CC2)c1 241862531 SQWHPUBQOKSWIK-UHFFFAOYSA-N 348.328 3.415 30 50 EGEA C#CCCC1(CCC(=O)NCc2ccc(N3CCCCC3)nc2)N=N1 952880059 BNIDHXKSJFJWQA-UHFFFAOYSA-N 339.443 3.044 30 50 EGEA COc1ccc(OC)c(-c2nc(CN3CCC[C@H](C#N)C3)c(C)o2)c1 71751633 XTOKLMCGLYUNEW-CQSZACIVSA-N 341.411 3.403 30 50 EGEA CCn1c(-c2ccc(OCCC(=O)O)cc2)nc2cc(C#N)ccc21 340083830 XHUVCWYCJHDTIA-UHFFFAOYSA-N 335.363 3.448 30 50 EGEA Cc1n[nH]c(-c2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2)n1 129530410 MPJDFQXAHYFGSG-UHFFFAOYSA-N 339.305 3.182 30 50 EGEA COc1cc(C(=O)/C=C/c2ccc3c(c2)sc(=O)n3C)ccc1O 170612968 DZSSVHATUQBANK-QPJJXVBHSA-N 341.388 3.210 30 50 EGEA COc1ccc(C#Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1 169745996 RRYKLXOOBFDYDY-UHFFFAOYSA-N 334.224 3.394 30 50 EGEA in-vitro CCn1nc(C)c(-c2cc(-c3c(C)nn(C)c3C)c(C#N)c(N)n2)c1C 71748946 FMOUJXQICWDJGO-UHFFFAOYSA-N 349.442 3.053 30 50 EGEA COc1ccc(S(=O)(=O)N/N=C(/C)c2ccc(Cl)cc2)cc1 135634 YPMKTVSMBAIMGE-BOPFTXTBSA-N 338.816 3.051 30 50 EGEA N#Cc1cc2c(nc1N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)CCCC2 220639561 MPOHECKXQRJDHM-QOKNQOGYSA-N 334.423 3.151 30 50 EGEA COc1ccccc1[C@@H](C)NC1CCN(c2ccc(C#N)cn2)CC1 161691066 MJPBUHGRJBICKO-OAHLLOKOSA-N 336.439 3.281 30 50 EGEA COC(=O)c1scc(C)c1NC=C1C(=O)c2ccccc2C1=O 2550099 IRNDWAGCNUJKLR-UHFFFAOYSA-N 327.361 3.218 30 50 EGEA Cc1c(C#N)cccc1N=C(O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 328586783 QKRLCJXUNYXVAN-WMZOPIPTSA-N 339.370 3.359 30 50 EGEA Cc1c(C#N)cccc1N=C(O)N1C[C@H](O)C[C@H]1c1cccc(F)c1 328586780 QKRLCJXUNYXVAN-AEFFLSMTSA-N 339.370 3.359 30 50 EGEA FC(F)Oc1ccc(/C=N/n2c(S)nnc2C(F)(F)F)cc1 6863160 IKGQOSLMPXJBGJ-YAXRCOADSA-N 338.261 3.069 30 50 EGEA OC(=Nc1c[nH]nc1[C@@H]1CCCN([C@H]2CCOC2)C1)c1ccccc1 329172859 KPHXAUFUUORVDA-CVEARBPZSA-N 340.427 3.014 30 50 EGEA O=C1N/C(=N/c2ccccc2)S/C1=C/c1cc([N+](=O)[O-])ccc1O 5015280 XGGWRKHENGOXKF-NTEUORMPSA-N 341.348 3.192 30 50 EGEA CC1(C)OB(c2cccc(OCc3ccccc3C#N)c2)OC1(C)C 303245674 NZECDMMIVDMXGK-UHFFFAOYSA-N 335.212 3.436 30 50 EGEA C[C@H]1OCc2c1nc(N)c(C#N)c2-c1cccc2c1OC(F)(F)O2 71749384 JZRQVPWTALXVNN-SSDOTTSWSA-N 331.278 3.115 30 50 EGEA C[C@@]1(/N=C(/O)C2CCN(c3ccc(C#N)cc3F)CC2)CCCOC1 329160422 FEYPEYHDHLDEJC-LJQANCHMSA-N 345.418 3.439 30 50 EGEA Cc1ccccc1[C@H]1C[C@@H](C)N(S(=O)(=O)CC(C)(C)CC#N)C1 331326037 MPVMULXNPUIOGU-CVEARBPZSA-N 334.485 3.443 30 50 EGEA N#Cc1cc2c(nc1SCC(=O)Nc1nccs1)CCCCC2 37867977 HZAAPRANCMOVML-UHFFFAOYSA-N 344.465 3.409 30 50 EGEA aggregator CNC(=O)Cc1nc(-c2ccc(C#N)cc2)cc(-c2cccc(C)c2)n1 823825732 QTEDSCQHHYUWTK-UHFFFAOYSA-N 342.402 3.279 30 50 EGEA C[C@@H](C#N)CN(C)C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 222146986 UCLCXPSRMMLAHR-UKIVVQBQSA-N 339.277 3.338 30 50 EGEA CC1(C)OB(c2cccc(NC(=O)c3cccc(F)c3)c2)OC1(C)C 203588479 RSDHCSQMIZGKNE-UHFFFAOYSA-N 341.191 3.377 30 50 EGEA Cc1cc(Cl)c2ncc(C#N)c(NCc3ccc(C(N)=O)o3)c2c1 225778043 SCHQSCWEZOTQGD-UHFFFAOYSA-N 340.770 3.372 30 50 EGEA CCn1ccnc1[C@H]1OCC[C@@H]1N/C(O)=N/[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 328961307 KQBWFUIGSFVEGY-GGUVTUNTSA-N 346.475 3.061 30 50 EGEA C=CCCc1noc([C@]2(C(F)(F)F)CCN(c3ccccn3)C2)n1 952894887 RLPOPNORXJESQT-HNNXBMFYSA-N 338.333 3.294 30 50 EGEA C#CCCC1(CCC(=O)N[C@](C)(CC2=CCCCC2)C(=O)OC)N=N1 2325892811 GUFTYZPFDVCQMA-GOSISDBHSA-N 345.443 3.281 30 50 EGEA CC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] 450237 CPIOJOZJRHKMMA-INIZCTEOSA-N 338.319 3.084 30 50 EGEA CCCC[C@H](CC)Cn1c(=N)c(C#N)cc2c(=O)n3ccccc3nc21 100660406 GAAFWZIWXLUDIF-AWEZNQCLSA-N 349.438 3.217 30 50 EGEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(O)cc1Cl 71762129 WSHVJHUTYYHTEJ-UHFFFAOYSA-N 339.786 3.270 30 50 EGEA COc1ccc(-c2nnc(S)n2/N=C/c2ccc(C)o2)cc1OC 4366331 PQIACLNHQCSAGR-RQZCQDPDSA-N 344.396 3.035 30 50 EGEA CC1(C)OB(C[C@H]2CCN(C(=O)OCC(F)(F)F)C2)OC1(C)C 1875370420 OEGLTZHFVVSIHD-SNVBAGLBSA-N 337.147 3.099 30 50 EGEA C#CCCC1(CCC(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccccc2)N=N1 2325899913 DLBPDZMTLVKOIY-PKOBYXMFSA-N 338.455 3.151 30 50 EGEA Cc1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1C 100418167 HHHCIUTVHDQTAV-AWEZNQCLSA-N 340.423 3.021 30 50 EGEA CCn1cc(-c2c(C)c([C@H]3CCOC(C)(C)C3)nc(N)c2C#N)cn1 67605397 CJSGJYYNQOCRCG-ZDUSSCGKSA-N 339.443 3.400 30 50 EGEA Cc1cc(C(F)F)nc(SCn2cc([N+](=O)[O-])cn2)c1C#N 6400113 BRTHHHNLXSYZON-UHFFFAOYSA-N 325.300 3.054 30 50 EGEA OC1=N[C@@H](/C(O)=N/CCc2cc(C(F)(F)F)ccn2)CCCC1 328593277 MEUDUOMOAYMREV-GFCCVEGCSA-N 329.322 3.499 30 50 EGEA OCC#Cc1csc(CN[C@H]2CCCN(CC3CCCCC3)C2)c1 19730687 PUWNQFVEHKGXBA-IBGZPJMESA-N 346.540 3.226 30 50 EGEA O=[N+]([O-])c1ccc(/C=N\CC/N=C/c2ccc([N+](=O)[O-])cc2)cc1 2273397 SQKBKHPIUDTFCI-MJZABRMRSA-N 326.312 3.041 30 50 EGEA C=CCn1c(=N)n(C[C@@H](O)c2ccc(OCC)cc2)c2ccccc21 19854824 DERGUDDBYPWAJK-LJQANCHMSA-N 337.423 3.241 30 50 EGEA Cc1ccc(-c2noc(CCc3c(C)nc(O)c(C#N)c3C)n2)nc1C 351231293 HHWDVMQEKWMTFV-UHFFFAOYSA-N 349.394 3.123 30 50 EGEA N#Cc1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)co1 2325782222 GBLJPOUHHCSPOD-UHFFFAOYSA-N 330.771 3.488 30 50 EGEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2C(=O)Nc1ccc(Cl)cc1 100418180 SGQWPKUDDYBADT-GFCCVEGCSA-N 346.814 3.058 30 50 EGEA COc1cnccc1[C@H](C)/N=C(/O)N1CCCC[C@H]1c1ccnn1C 328587430 RNDITURREORYBC-BBRMVZONSA-N 343.431 3.026 30 50 EGEA CN(Cc1nccn1Cc1ccccc1)c1nc2ccccn2c1C#N 159710067 OKBBEGMNXFTJRN-UHFFFAOYSA-N 342.406 3.087 30 50 EGEA CC1(C)C(=O)Nc2cc(C(=O)NC3(c4cccc(C#N)c4)CC3)ccc21 293376370 MMLBQYHRXFNABV-UHFFFAOYSA-N 345.402 3.207 30 50 EGEA N#Cc1cc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c[nH]1 180802353 CKZFMYKLCVZTEV-UHFFFAOYSA-N 336.395 3.155 30 50 EGEA Cc1nc(N2CCN(c3ccc(Cl)c(C#N)n3)CC2)sc1C 269959278 URIMWBAUIFLJEO-UHFFFAOYSA-N 333.848 3.007 30 50 EGEA CC(C)(C)[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@H]1O 272341618 BTLNQZHNORCYFA-VXGBXAGGSA-N 327.350 3.205 30 50 EGEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccccc1 5483195 CIJNPRDJZSLCTJ-UHFFFAOYSA-N 349.390 3.330 30 50 EGEA C#CCCC1(CCC(=O)N2CC[C@@H](COc3ccccc3)C2)N=N1 952883427 ZMLUYELCAFRVPJ-MRXNPFEDSA-N 325.412 3.270 30 50 EGEA O[C@H](C#Cc1ccccc1)C#CC(O)(c1ccccc1)c1ccccc1 2473850 DXABUTUQUQBXDJ-HSZRJFAPSA-N 338.406 3.339 30 50 EGEA N#C[C@@H]1CN(Cc2nnc(C3CC3)n2C2CC2)C[C@H]1c1ccccc1 366499025 WDFXZKPOTCMFSX-AEFFLSMTSA-N 333.439 3.230 30 50 EGEA N#Cc1ccc(F)cc1CN1CCC(OC[C@H]2CCCCO2)CC1 160985084 IQAKPKCYHUZPRQ-LJQANCHMSA-N 332.419 3.247 30 50 EGEA Cc1cc(N2CCC[C@H]2C[C@H](C)O)n2c(nc3ccccc32)c1C#N 301782401 SYLLAAKIILYGBE-GJZGRUSLSA-N 334.423 3.407 30 50 EGEA Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 190465538 FOKUQMODZQTMNF-SFHVURJKSA-N 340.496 3.277 30 50 EGEA O=C(O)c1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1 110789 TYLPTGMQARBNQU-UHFFFAOYSA-N 327.723 3.326 30 50 EGEA COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(C#N)oc2C)c1 253433329 VURLEMYEWUESGN-QGZVFWFLSA-N 340.379 3.454 30 50 EGEA CCNS(=O)(=O)c1ccc(C)c(/C(O)=N/[C@@]2(C)CC=CCC2)c1 331349856 NOKNYHSQIBYJRY-KRWDZBQOSA-N 336.457 3.097 30 50 EGEA Cc1cscc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 175814123 ALQXEVBQMOXCTQ-QGZVFWFLSA-N 325.437 3.079 30 50 EGEA COc1ccc(NC(=O)c2ccc(F)c(C#N)c2)c(C(C)=O)c1OC 242191440 XFNHVRXUAGZTQL-UHFFFAOYSA-N 342.326 3.169 30 50 EGEA Cc1nc(C#N)c(NC[C@H](c2ccc(F)cc2F)N2CCCC2)o1 227156235 BAFUFQHXCONXJG-MRXNPFEDSA-N 332.354 3.382 30 50 EGEA N#Cc1ccc(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1F 290297277 YLHRBOMKYOBOOF-AWEZNQCLSA-N 338.386 3.345 30 50 EGEA COc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc1O 13476965 SQXSMLLCDWJNAC-XNTDXEJSSA-N 326.377 3.292 30 50 EGEA COC1=CC=CC(=CC=C2N(CCO)c3ccccc3C2(C)C)C1=O 1857525753 SQLVYYUCCFIXPO-UHFFFAOYSA-N 337.419 3.256 30 50 EGEA COc1ccc(OC)c(/C=C/C(=O)c2cc(OC)c(O)c(OC)c2)c1 48057045 LSFVPVUVPZXWOA-FNORWQNLSA-N 344.363 3.323 30 50 EGEA CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1CCOC1=O 38146041 IKQUESGRCDRZTI-CVEARBPZSA-N 327.465 3.090 30 50 EGEA biogenic C#CC(C)(C)N(C)Cc1cc(=O)oc2cc(NC(=O)OCC)ccc12 170616789 PWDSDWIUAUYJBD-UHFFFAOYSA-N 342.395 3.205 30 50 EGEA C#CCN1C(=O)S/C(=C/c2cccc(OC)c2OC(C)C)C1=O 1149898 FDKKCWRXIRHPHS-GXDHUFHOSA-N 331.393 3.152 30 50 EGEA CCn1c2ccccc2c2nnc(N/N=C/c3ccccc3O)nc21 3898155 BGAYJLMKKRSLPW-YBFXNURJSA-N 332.367 3.151 30 50 EGEA Cc1cccc(/C=N/N=C2\NC(=O)[C@H](Cc3cccc(C)c3)S2)c1 4964801 CQRANTBCPWKHTN-RONKMWSCSA-N 337.448 3.468 30 50 EGEA Cc1ccccc1-n1cc(-c2cc([C@H]3CCOC3)c(C#N)c(N)n2)cn1 71753845 UVCLBGHGUJIULG-AWEZNQCLSA-N 345.406 3.201 30 50 EGEA C[C@H](N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1cccc(C#N)c1 340622018 UAHIOBSXZNPMGP-OXJNMPFZSA-N 333.435 3.052 30 50 EGEA CC(C)(CC#N)CNC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 458042594 OXBLHJHOXCSCMO-UHFFFAOYSA-N 334.326 3.344 30 50 EGEA C[C@@H]1CCCc2ncc(C(=O)Nc3ccc(F)cc3OCC#N)n21 1346125429 AWRLKUXHCIXVLO-LLVKDONJSA-N 328.347 3.074 30 50 EGEA CC#CC(=O)N(C)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 12713869 ZVEQFPKFVNDGHQ-QGZVFWFLSA-N 332.875 3.076 30 50 EGEA N#Cc1ccc(CN2CC[C@H]([C@H]3CCOC3)C2)c(Br)c1 360757900 VNUTWBKDPVLVLB-ZFWWWQNUSA-N 335.245 3.179 30 50 EGEA COc1ccccc1/N=C1\c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1C(C)=O 100707459 IJZHYDGDBNTRCW-GWOGKKTRSA-N 338.319 3.126 30 50 EGEA C#CCOc1ccc(CNCc2ccc(OC)c(OC)c2OC)cc1 113324265 BLUBVQANSLOPMU-UHFFFAOYSA-N 341.407 3.014 30 50 EGEA COc1ccc([C@@H](C)NC(=O)c2cccc(C#CC(C)(C)O)c2)cc1 65386865 UBRSZUZLVRIVPP-OAHLLOKOSA-N 337.419 3.309 30 50 EGEA O=c1[nH]c2ccccc2nc1N/N=C/c1cccc(C(F)(F)F)c1 4003214 RZHVYSUQGDQTST-AWQFTUOYSA-N 332.285 3.388 30 50 EGEA CC1(C)OB(c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3)OC1(C)C 198565619 RRDRJCQRUPRAIU-UHFFFAOYSA-N 349.239 3.142 30 50 EGEA C[C@@H]1C[C@H]1c1nc(C#N)c(N2CCN(c3ccc(F)cc3)CC2)o1 1775965343 YLAMLVRGGYQEHI-IUODEOHRSA-N 326.375 3.135 30 50 EGEA C=C1CC[C@@]23C[C@@H](CC[C@@H]2[C@@]12C[C@@H](c1ccoc1)OC2=O)OC3=O 17219227 UNKJMPBJRRFBEL-UJYOZEIHSA-N 328.364 3.316 30 50 EGEA biogenic Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 368272184 LJXCVTPNVBKFJQ-ZDUSSCGKSA-N 334.423 3.318 30 50 EGEA C=C(C)C[C@H](C)C(=O)N[C@@H](c1cccc(OC)c1)c1nccn1C 375130116 YLVSJUZCSPMKET-YOEHRIQHSA-N 327.428 3.237 30 50 EGEA COC[C@@H](NC(=O)c1cc(F)cc2cnccc12)c1cccc(C#N)c1 1875317074 MSXKXWZZVGFEAB-LJQANCHMSA-N 349.365 3.363 30 50 EGEA CC#CC(=O)N[C@@H](C)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 1875363158 WIHGTQCLTKABEI-NSHDSACASA-N 335.329 3.400 30 50 EGEA COc1ccc(N2CCN(/C(S)=N/Cc3ccccc3)CC2)cc1 13521644 OUXRRYUIRHEXBI-UHFFFAOYSA-N 341.480 3.303 30 50 EGEA C#C[C@]1(O)CCC[C@@H](NC(=O)Nc2cc(F)cc(Cl)c2F)C1 2325782064 UCNMPWDTPYXBMI-BMIGLBTASA-N 328.746 3.047 30 50 EGEA C=CCc1c(C)nc(Nc2nc(C)c3cc(CC)ccc3n2)[nH]c1=O 9936625 XYPUYHSXKUDZBH-UHFFFAOYSA-N 335.411 3.364 30 50 EGEA Cc1cc(N2CCC[C@@H](N(C)Cc3ccccn3)CC2)c(C#N)c(C)n1 328648463 UPAYDRFSUFOZCK-LJQANCHMSA-N 349.482 3.456 30 50 EGEA C=CCn1c(SCc2nccn2C)nnc1-c1ccccc1C 158112947 ZRKCYKCRCVHOIS-UHFFFAOYSA-N 325.441 3.465 30 50 EGEA N#Cc1ccc([C@@H]2CN(C(=O)Nc3cccnc3C3CC3)CCO2)cc1 2325782090 WGGNULOIEDHEBS-SFHVURJKSA-N 348.406 3.436 30 50 EGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(C)ccc1C 28042 ZHOHMMJNLJRHNA-MRXNPFEDSA-N 341.407 3.158 30 50 EGEA CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1 203883 PPJJSKRJCDDVGJ-GOSISDBHSA-N 341.407 3.226 30 50 EGEA C=CCn1cc(CN2CCC(Cc3noc(C4CC4)n3)CC2)c(C)n1 55119410 VQTHUQKMVTYALI-UHFFFAOYSA-N 341.459 3.093 30 50 EGEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1 4913040 JKPSGLNFOWUWSE-SNVBAGLBSA-N 348.786 3.495 30 50 EGEA CCn1ncc2ccc(N=C(O)N3CCC[C@H]3C3CCOCC3)cc21 329422406 FPZWNXGOGRIXLQ-KRWDZBQOSA-N 342.443 3.493 30 50 EGEA CC1(C)[C@H]2OCCC[C@H]2[C@H]1/N=C(/O)N1CCC(c2nccs2)CC1 329808752 POMBXRMHUMGSPZ-ZNMIVQPWSA-N 349.500 3.440 30 50 EGEA Cc1cc(NC(=O)C(C)(C)C#N)cc(N2CCN(C(C)C)CC2)c1 190804062 GSYFHEXUYXCXNN-UHFFFAOYSA-N 328.460 3.014 30 50 EGEA COc1ccccc1/C=C/C=N/n1c(S)nnc1-c1cccnc1 2587454 VXTMJFZKRZVPTD-SPJXWURQSA-N 337.408 3.185 30 50 EGEA C#CCCC1(CCC(=O)N2CCC[C@@H](CN3CCC(C)CC3)C2)N=N1 952882085 PAOYGYKVPYDQHA-SFHVURJKSA-N 344.503 3.313 30 50 EGEA Cn1cnnc1[C@H]1CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 121370668 WNQVZVJXNYBSNB-LBPRGKRZSA-N 335.333 3.090 30 50 EGEA Cc1oc(NC(=O)[C@H](C)N2CCC=C(c3ccco3)C2)c(C#N)c1C 375666191 PUNXWYKUDMFHDW-ZDUSSCGKSA-N 339.395 3.477 30 50 EGEA O=C(Nc1ccccc1C#Cc1ccccc1)N1CC[C@@](F)(CO)C1 338427606 YFLILXRFHSFPIN-FQEVSTJZSA-N 338.382 3.025 30 50 EGEA CC#CC(=O)N[C@H]1c2ccccc2N(C(=O)OC(C)(C)C)C1(C)C 923076841 XCCRIOSEKABNAQ-INIZCTEOSA-N 328.412 3.401 30 50 EGEA C=CCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)OCC)nc21 1117070 FDHNFOFKCHVNMZ-NSHDSACASA-N 342.424 3.209 30 50 EGEA CN1C(=O)[C@]2(CCCN(Cc3ccccc3C#N)C2)c2ccccc21 72133164 MOWMCFZHWOOTAK-NRFANRHFSA-N 331.419 3.068 30 50 EGEA C[C@H](C#N)CNC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 176429633 GHBDTFVVQGSLCL-MRVPVSSYSA-N 339.277 3.037 30 50 EGEA COCC1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 887695201 KTTGTVMVSPPOGK-UHFFFAOYSA-N 337.379 3.461 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)N=N1 2325892422 MULCYMMTUVRBDH-QGZVFWFLSA-N 338.455 3.436 30 50 EGEA COc1ccc(-c2cc[n+](CC(=O)c3ccc(C)cc3)cn2)cc1OC 6272991 VPTLIPFPMMSSIC-UHFFFAOYSA-N 349.410 3.245 30 50 EGEA Cc1nc(CC2CC2)oc1C(=O)N1CCC[C@@H](/C(O)=N/CC2CC2)C1 330007686 GAIRPKUFDIUCMQ-OAHLLOKOSA-N 345.443 3.154 30 50 EGEA C=C[C@H](COC)NC(=O)N1CCC2(CC1)C(C)=Nc1ccccc12 1352053430 FTQKRWGHRMOBFL-OAHLLOKOSA-N 327.428 3.037 30 50 EGEA C=CCc1cc(CN[C@@H]2CCCN(C(=O)C(C)C)C2)ccc1OC 952961341 FIOSPBQRBJRRBZ-GOSISDBHSA-N 330.472 3.160 30 50 EGEA Cc1ncsc1CN(C)C[C@H]1CCN(Cc2ccc(C#N)cc2)C1 190465567 FOKUQMODZQTMNF-GOSISDBHSA-N 340.496 3.277 30 50 EGEA C=CCC(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1 12439367 DLKQRZFPJSTCDA-NRFANRHFSA-N 340.467 3.036 30 50 EGEA C=CCC(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 12749937 FNJQSKMYOZWQNY-HNNXBMFYSA-N 332.419 3.037 30 50 EGEA ClC(=C\c1ccccc1)/C=N/N1CCN(c2ccccn2)CC1 100574335 DIVHNASUCKLCEI-WANMUPLOSA-N 326.831 3.469 30 50 EGEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1ccc(=O)n(C)c1 65529395 IRBFVGWDPGJGOQ-MOPGFXCFSA-N 334.419 3.473 30 50 EGEA CO/N=C/C(=N\Nc1ccc(OC)cc1)C(=O)c1ccc(F)cc1 5210717 ISUPWLKTTGJUKS-BRRLLNCPSA-N 329.331 3.117 30 50 EGEA CC[C@@H](NC(=O)c1ccc(C#CC(C)(C)O)o1)c1ccc(OC)cc1 1506402617 UGKXKRMJMNEGMQ-QGZVFWFLSA-N 341.407 3.292 30 50 EGEA COc1ccc(/C=N/n2cnnc2)cc1COc1ccc(Cl)cc1 442894 CWMWTEDMRMQHAR-ZVBGSRNCSA-N 342.786 3.401 30 50 EGEA O=[N+]([O-])c1ccccc1/C=N/n1c(S)nnc1-c1ccc(F)cc1 5998093 DZFGZRVSXFOQGX-RQZCQDPDSA-N 343.343 3.163 30 50 EGEA Cn1cc(CN[C@H]2CCO[C@@H](C3CC3)C2)c(-c2ccc(C#N)cc2)n1 156809464 IHNIFACETKEESN-RBUKOAKNSA-N 336.439 3.006 30 50 EGEA C#CCCC1(CCC(=O)Nc2cc(Cc3ccccc3)nn2C)N=N1 1875381738 GFEGTLNNFBMIAX-UHFFFAOYSA-N 335.411 3.305 30 50 EGEA N#Cc1cccnc1N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67821500 VFEOKBKFSKSNLG-VQTJNVASSA-N 329.403 3.461 30 50 EGEA COc1ccc(C(O)=NNc2ncnc(Cl)c2C(C)C)c(O)c1 328597645 IJWWSBMQHDJGCF-UHFFFAOYSA-N 336.779 3.299 30 50 EGEA C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 331645241 VNSQMSSXTBTINC-SBHAEUEKSA-N 340.467 3.423 30 50 EGEA N#CC1(c2nc(C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)no2)CCOCC1 685940002 IKYCLBQKIFDYCS-LGBHXNNWSA-N 347.846 3.471 30 50 EGEA CC(=O)Nc1ccccc1CC(=O)[C@H](C#N)c1nc2ccccc2o1 170615545 WOBNRTYBCXJTSO-AWEZNQCLSA-N 333.347 3.205 30 50 EGEA Cc1cc([C@@H]2CCCN2C(=O)c2cccc(C#CC(C)(C)O)c2)no1 1506416669 DKZLGMFGKSKSPI-SFHVURJKSA-N 338.407 3.083 30 50 EGEA COc1cccc2cc(CNc3ncnc4c3cnn4CCC#N)oc12 1875254204 DRMDFBKSWXYGLB-UHFFFAOYSA-N 348.366 3.107 30 50 EGEA CCOc1ccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 4745794 CWASPBAFJDHLFF-INIZCTEOSA-N 348.354 3.449 30 50 EGEA C=CCOc1ccc(C(=O)N(CC)C[C@H]2CCN(C)C2)cc1OCC 55100505 QIULLFZPFBXHDG-INIZCTEOSA-N 346.471 3.064 30 50 EGEA Cc1ccc(S(=O)(=O)OC[C@]2(C)C(=O)C[C@]3(C(C)C)C[C@@H]32)cc1 101082079 KAYDIWFMEXYNLW-NJAFHUGGSA-N 336.453 3.342 30 50 EGEA CC(=O)c1cccc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 160591643 IHRZHRUPSSIQRI-UHFFFAOYSA-N 335.363 3.056 30 50 EGEA C=CCNC1=C(Cl)C(=O)N(c2cccc(Cl)c2Cl)C1=O 1766053 ONYZYIYVDFJKQL-UHFFFAOYSA-N 331.586 3.093 30 50 EGEA C[C@@H]1CN([C@H](C)C(=O)NC2(C#N)CCCCC2)[C@H]1c1ccccc1 245416628 FHQNOVRSUFWJDM-JFIYKMOQSA-N 325.456 3.411 30 50 EGEA Cc1cc([C@@H]2CCCN2C(=O)c2cccc(C#CC(C)(C)O)c2)on1 1506430161 XZPIRDFUXMETLH-KRWDZBQOSA-N 338.407 3.083 30 50 EGEA Cc1nc(N2C[C@@H](COc3ccccc3)OC(C)(C)C2)ccc1C#N 330176800 KGNLFRPQKSAYGW-SFHVURJKSA-N 337.423 3.325 30 50 EGEA COC(=O)[C@H]1C(=O)C=C(OC(=O)c2ccc(Cl)cc2)CC1(C)C 336469 PJZMVHSZMPAZGO-CQSZACIVSA-N 336.771 3.169 30 50 EGEA C#CCN1C(=O)[C@@](O)(CC(=O)c2cc(C)c(C)cc2C)c2ccccc21 4866535 WSYTYTDWLVQLKN-JOCHJYFZSA-N 347.414 3.052 30 50 EGEA COC[C@@](C)(C#N)NC(=O)c1cc(C)c(Br)c(Cl)c1 252485746 HCUDIDMDGOUQPS-CYBMUJFWSA-N 345.624 3.069 30 50 EGEA C=C/C(O)=N/Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 328598918 PAWFBUFJEKDPSL-UHFFFAOYSA-N 340.402 3.190 30 50 EGEA COC1(OC)CC2(CN(c3ncc(C#N)cc3Cl)[C@@H]2C(C)C)C1 952877185 MGBXLRNXLKEXNB-CQSZACIVSA-N 335.835 3.221 30 50 EGEA CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccccc1F 6692775 CUSUMEOSPXIFFB-MRXNPFEDSA-N 327.311 3.020 30 50 EGEA C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 528619 WWPHXRCUSALZHH-QGZVFWFLSA-N 347.823 3.395 30 50 EGEA Cc1ccoc1C(=O)NC[C@H]1CCCN(Cc2ccccc2C#N)C1 67773858 SXOVOJGGLUSCAW-MRXNPFEDSA-N 337.423 3.102 30 50 EGEA Cc1nc(CC2CC2)oc1C(=O)N1CCC[C@H](/C(O)=N/CC2CC2)C1 330007685 GAIRPKUFDIUCMQ-HNNXBMFYSA-N 345.443 3.154 30 50 EGEA Cc1cc(N=C(O)CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)on1 328653079 WSSPAHIIXVVDJB-OAHLLOKOSA-N 343.431 3.020 30 50 EGEA Cc1nn(C)c2cc(N=C(O)N3CCC[C@@H]3C3CCOCC3)ccc12 329798065 HNMDIJHHGXMWPL-QGZVFWFLSA-N 342.443 3.318 30 50 EGEA O=c1c2[nH]c3ccccc3c2ncn1N=Cc1c[nH]c2ccccc12 254752486 MUEOPMGWLIWVAP-UHFFFAOYSA-N 327.347 3.241 30 50 EGEA CN(Cc1cc(C#CCO)cs1)C[C@@H]1CCN(c2ccccc2)C1 952969489 NQHABQSPYBQNFR-SFHVURJKSA-N 340.492 3.050 30 50 EGEA C(=N/Nc1nnc2c(n1)[nH]c1ccccc12)\c1c[nH]c2ccccc12 4301963 LEUUBGIPOWMTLJ-KEBDBYFISA-N 327.351 3.433 30 50 EGEA CC1(C)OB(c2cc(F)c(F)c(OCC(F)(F)F)c2)OC1(C)C 1875389840 SYMUZZHSVJBNKB-UHFFFAOYSA-N 338.081 3.205 30 50 EGEA C#CCCC1(CCC(=O)Nc2ccc(NC(=O)C3CCC3)cn2)N=N1 2325892940 VDNNVTXWVMGHGK-UHFFFAOYSA-N 339.399 3.114 30 50 EGEA O/C(=N/C[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@@H](O)c1ccccc1 328625882 DPPRHVJPQPVETB-ZOBUZTSGSA-N 348.443 3.351 30 50 EGEA C[C@@H]1CCC[C@H](CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 252671961 OSYBMRCHZIRSOK-OWCLPIDISA-N 349.475 3.174 30 50 EGEA C[C@@H](CNC1CCN(Cc2ccc(C#N)cc2)CC1)c1nccs1 186726969 DCYTVHBEGIQNGR-HNNXBMFYSA-N 340.496 3.372 30 50 EGEA Cc1ccc(S(=O)(=O)N/N=C/C=C/c2ccc(N(C)C)cc2)cc1 3001913 WQFFNKLTWFGQOK-FGACYFSBSA-N 343.452 3.039 30 50 EGEA C[C@H](C(=O)N=c1[nH][nH]c(C2CC2)c1C#N)c1cccc2ccccc12 1875295919 VOZIKPKIGLXLPS-LBPRGKRZSA-N 330.391 3.476 30 50 EGEA COc1ccc2nc(SCC(=O)Nc3ccccc3C#N)[nH]c2c1 6498660 WDSGUKKNVUKPOL-UHFFFAOYSA-N 338.392 3.174 30 50 EGEA C=CCC[C@H](CN(C)Cc1cccnc1)Oc1ccc(Cl)nn1 67726710 BMCLETVXHVRQPI-OAHLLOKOSA-N 332.835 3.371 30 50 EGEA C[C@H](C(O)=Nc1cc2c(cc1O)n(C)c(=O)n2C)c1cccc(F)c1 328594182 XGPQAUPMWFCQAV-JTQLQIEISA-N 343.358 3.113 30 50 EGEA N#CC1(c2ccccc2)CCN(C(=O)NCC[C@@H]2CCCOC2)CC1 534639963 BXPJLNOSZGHFAW-KRWDZBQOSA-N 341.455 3.070 30 50 EGEA N#Cc1ccc(Cl)cc1NC1CCN(C(=O)c2ccncc2)CC1 253427775 GRRSASYOZVHYRL-UHFFFAOYSA-N 340.814 3.323 30 50 EGEA C=C1CCN(C(=O)CCCCCn2cc(-c3ccoc3)nn2)CC1 1875324052 ZSZVOTVURQVHNM-UHFFFAOYSA-N 328.416 3.277 30 50 EGEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/N=C(/O)[C@@H]1C[C@@H]1c1ccco1 328611844 MWKCOKQRBIBCRC-LOUJCGABSA-N 329.400 3.220 30 50 EGEA C=CCn1nc(Br)c(Br)c1Br 398361 NITNUVUFMWIPFK-UHFFFAOYSA-N 344.832 3.357 30 50 EGEA CC(C)c1nn(C)c(Cl)c1/C(O)=N/C1CCC(C(=O)O)CC1 328591364 QUPQGVXXQXLHNY-UHFFFAOYSA-N 327.812 3.145 30 50 EGEA Cn1c(=O)oc2cc(N=C(O)N3CCC=C(c4ccccc4)C3)ccc21 328586865 NGQAKNBEOCKZRB-UHFFFAOYSA-N 349.390 3.466 30 50 EGEA CN1CC[C@@H](C/N=C(/O)CC[C@@H]2CCCOC2)[C@@H]1c1cccnc1 328634214 TUGUQIWLNZHNQQ-IEZWGBDMSA-N 331.460 3.238 30 50 EGEA N#Cc1ccnc(N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)c1 285135791 SJQSPEHOMFCHSK-DOMZBBRYSA-N 333.313 3.284 30 50 EGEA C=C(C)COc1ccc(NC(=O)C2CCN(C(=O)CC)CC2)cc1 952990930 NAQYNGUFXBPWSV-UHFFFAOYSA-N 330.428 3.229 30 50 EGEA Cc1ccc(C(=O)[C@@H]2C(C#N)(C#N)C23CCC2(CC3)OCCO2)cc1 12447646 HBSAHUODWCEUJT-KRWDZBQOSA-N 336.391 3.145 30 50 EGEA C[C@H](NC(=O)N1CCC([C@H]2CCCO2)CC1)c1cccc(C#N)c1 253429771 UPWULCYLILYBES-KBXCAEBGSA-N 327.428 3.220 30 50 EGEA COC[C@H]1CCCN(CC/N=C(/O)CSc2ccc(F)cc2)C1 328591250 GJVYRTBWOUPISU-AWEZNQCLSA-N 340.464 3.233 30 50 EGEA N#Cc1ccc(C(F)(F)F)c(N2CCCN(C(=O)C3CC3)CC2)c1 152832351 GKDDHNNRMVBMKH-UHFFFAOYSA-N 337.345 3.026 30 50 EGEA CC1=C(C(=O)OC(C)C)[C@@H](c2ccncc2)C2=C(CCCC2=O)N1 19315184 UEDCHNUUVXWJBO-QGZVFWFLSA-N 326.396 3.001 30 50 EGEA N#Cc1ccc(CN2CC[C@H](NC/C=C/c3ccc(F)cc3)C2=O)cc1 192244593 SENJQGZAVHKDFF-ZGTHZTNPSA-N 349.409 3.101 30 50 EGEA N/C(=N\OC(=O)CCc1ccccc1)c1ccc(Br)cc1 4191746 BBFVYKWNWPKUCJ-UHFFFAOYSA-N 347.212 3.245 30 50 EGEA Cn1c2ccccc2c2c1cc(C#N)c(=O)n2-c1ccc([N+](=O)[O-])cc1 210161 TZEXGCXFOXXFKH-UHFFFAOYSA-N 344.330 3.262 30 50 EGEA in-vivo CC(C)c1nc([C@H]2CN(C(=O)c3cccc(C#N)c3)C[C@@H]2C2CC2)n[nH]1 952848922 NSKSKSOSEZDIGU-SJORKVTESA-N 349.438 3.066 30 50 EGEA Cc1ncc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)cc1C#N 2325824824 RLGMMFYYKCPFPQ-UHFFFAOYSA-N 331.379 3.317 30 50 EGEA C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 528617 WWPHXRCUSALZHH-KRWDZBQOSA-N 347.823 3.395 30 50 EGEA CC1(C)CCCN(C(=O)c2cccc(Nc3cnccn3)c2)[C@H]1C#N 225499843 LLTYVHOXJAAZJH-INIZCTEOSA-N 335.411 3.375 30 50 EGEA CC[C@@H]1[C@H](/C(O)=N/C2CCOCC2)CCN1C(=O)OC(C)(C)C 328593731 BQHPIOWXUXDYCU-ZIAGYGMSSA-N 326.437 3.158 30 50 EGEA Cc1c(/C=N/c2sccc2C(=O)NCc2ccco2)cnn1C 6527517 AUFBYGQEHVHYII-QGMBQPNBSA-N 328.397 3.064 30 50 EGEA CC(C)c1nc2n(n1)C[C@@H](/N=C(/O)Nc1scnc1C1CC1)CC2 328928246 XTIHTPIGBFQQDU-NSHDSACASA-N 346.460 3.076 30 50 EGEA C[C@@H](N[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1cccc(C#N)c1 340622026 UAHIOBSXZNPMGP-UZLBHIALSA-N 333.435 3.052 30 50 EGEA Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2cccc(C#N)c2)C1 190465376 XSXAJIYKLOAMBB-SFHVURJKSA-N 340.496 3.277 30 50 EGEA C=CCn1c(SCC2(O)CCCCC2)nnc1-c1ccccn1 163875755 WDPVOLZRPPWRFM-UHFFFAOYSA-N 330.457 3.313 30 50 EGEA CC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] 450239 CPIOJOZJRHKMMA-MRXNPFEDSA-N 338.319 3.084 30 50 EGEA CC1(C)OB(c2cnn(Cc3cccc(Cl)c3F)c2)OC1(C)C 409420654 MXPVNMFNSBOFQV-UHFFFAOYSA-N 336.603 3.023 30 50 EGEA O/C(=N/[C@@H]1CCO[C@H](C2CC2)C1)Nc1ncc(C(F)(F)F)s1 328588394 OPYFJKXWSJQWPL-BDAKNGLRSA-N 335.351 3.445 30 50 EGEA CC[C@H](/N=C(/O)N1CCC(c2cnc[nH]2)CC1)c1c(C)noc1C 328586466 NNDNUNKFSQNTPH-AWEZNQCLSA-N 331.420 3.259 30 50 EGEA Cc1nc(N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)ccc1[N+](=O)[O-] 952992294 JOVJAFJGLGYMFV-UHFFFAOYSA-N 347.224 3.361 30 50 EGEA C#CCn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 7542989 ZEWGLXVPCVQNHO-MRXNPFEDSA-N 347.393 3.325 30 50 EGEA C#CCCC1(CCC(=O)NCc2cc(C3CC3)n(C(C)(C)C)n2)N=N1 2325899389 BDZGFFVYGZJJCA-UHFFFAOYSA-N 341.459 3.487 30 50 EGEA COc1ccc(C(=O)C[n+]2ccc(-c3ccc(C)cc3)nc2)cc1OC 6277686 FMWAJGYCDKAXPT-UHFFFAOYSA-N 349.410 3.245 30 50 EGEA C=C(C)COc1ccccc1C(=O)N[C@H](C(=O)OC)c1ccccc1 55211589 VLYROINMNTUAGK-SFHVURJKSA-N 339.391 3.286 30 50 EGEA C=CCCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(C)c3)C2=O)C1 12594436 FWLJPKYTTRVLBE-NRFANRHFSA-N 340.467 3.302 30 50 EGEA CCn1cc([C@H]2OCC[C@@H]2CNc2ncc(C#N)cc2Cl)cn1 1857530077 JBEGCXJLQONADA-DOMZBBRYSA-N 331.807 3.013 30 50 EGEA N#Cc1ccccc1/C=C/c1nnc([C@H]2OCC[C@H]2Cn2cccn2)o1 886096870 RCCYBLJMQQYOKE-RTQGNFRKSA-N 347.378 3.086 30 50 EGEA C#CCCC1(CCC(=O)NC2[C@H]3CC4C[C@H]2CC(OC)(C4)C3)N=N1 2325886048 DGYJNIVJBIDLCV-KGYFKUTRSA-N 329.444 3.052 30 50 EGEA N#Cc1c(-c2ccc(Br)cc2)nc2n(c1=O)CCCS2 2876859 BEHHAZMOPRXWKL-UHFFFAOYSA-N 348.225 3.040 30 50 EGEA C=CCc1ccc(OC[C@H](O)CN2[C@H](C)CCC[C@H]2C)c(OC)c1 5610954 BUXZZUGYOMPIKM-JFIYKMOQSA-N 333.472 3.426 30 50 EGEA CC(C)(C)OC(=O)NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 199784928 AOEHDGVQRPERBA-UHFFFAOYSA-N 347.264 3.053 30 50 EGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 19300863 UISSLKINORBWCP-QGZVFWFLSA-N 340.423 3.249 30 50 EGEA CCC(C)(C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC 712300910 JASMMJCQXCSRDY-UHFFFAOYSA-N 347.264 3.369 30 50 EGEA Cc1cnc(C/N=C(/O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)s1 328609484 DKTKLTSQUVRADE-WFASDCNBSA-N 334.445 3.036 30 50 EGEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)c2cccc(F)c2F)cn1 328632501 RZZMFAQVLCWNFF-GOEBONIOSA-N 335.354 3.406 30 50 EGEA C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)[n+]1cccc(C(N)=O)c1 4714730 XJIOGGFMZMCBFA-HNNXBMFYSA-O 331.395 3.184 30 50 EGEA Cc1c(-c2cc(-c3ccc(F)c(F)c3)nc(N)c2C#N)cnn1C 67880930 ZQPGMKSOZOXXER-UHFFFAOYSA-N 325.322 3.190 30 50 EGEA C=CCN(Cc1ccco1)C(=O)[C@@H]1COc2c(cccc2OC)C1 65420772 MJPQMORKPPFRTP-HNNXBMFYSA-N 327.380 3.054 30 50 EGEA Cc1ccc(C#N)c(N2CCC(n3cc(Br)cn3)CC2)n1 328586792 XVQAYFPIPYJNBK-UHFFFAOYSA-N 346.232 3.062 30 50 EGEA CC(C)[C@@H]1OCCC[C@@H]1C/N=C(/O)N1CCC[C@@H]1C1CCOCC1 329486001 QWWLXODKFMKXIU-KURKYZTESA-N 338.492 3.243 30 50 EGEA N#C[C@H]1CCCN(C(=O)NCc2ccc(C(F)(F)F)cc2F)C1 426584832 PURLKIQKFOPWNR-SNVBAGLBSA-N 329.297 3.290 30 50 EGEA CCOc1ccc(NC(=O)N(CC)CC2CCOCC2)cc1C#N 96161704 FXWDOSVNMYFANV-UHFFFAOYSA-N 331.416 3.237 30 50 EGEA CC[C@@H]1C=CCN1C(=O)c1cccc(-c2ccnc(OC)c2C#N)c1 299774831 JHSJQAFLWWBCIY-MRXNPFEDSA-N 333.391 3.419 30 50 EGEA C=CCN(Cc1ccccc1OC)C(=O)[C@@H](C)N1CCCCCC1 952960986 UQKGVLBZIHJTRR-QGZVFWFLSA-N 330.472 3.474 30 50 EGEA COCCn1c(Sc2cc(C#N)ncn2)nc2cc(Cl)ccc21 408514589 ZGLFGQBBHGEQJM-UHFFFAOYSA-N 345.815 3.149 30 50 EGEA Cc1ccc(CN2CCN(/N=C\c3ccc(N(C)C)cc3)CC2)cc1 13113676 YXAMMGSXGMHYQR-JWGURIENSA-N 336.483 3.213 30 50 EGEA Cc1cs/c(=N\C2CCCCC2)n1/N=C/c1ccc(O)c(O)c1O 15913384 RGGFUBMUOVFZEF-LDRVEFRDSA-N 347.440 3.090 30 50 EGEA in-vitro CC(C)(C)OC(=O)NCCc1ccccc1B1OC(C)(C)C(C)(C)O1 203597308 WADCCZWZIKUZGB-UHFFFAOYSA-N 347.264 3.053 30 50 EGEA COc1ccc(/C=N/N=C/c2ccc(OC)c(OC)c2)cc1OC 1653715 DCROUMFSOORFPU-AYKLPDECSA-N 328.368 3.174 30 50 EGEA C[C@@]12CCC(=O)[C@@H]1[C@@H]1C[C@@H]3O[C@]34CCC3(C[C@]4(C)[C@H]1CC2)OCCO3 253531172 MUOSCBNRUUJMHQ-YLQGPCHRSA-N 346.467 3.473 30 50 EGEA Cc1nn(C)cc1Cc1nc(C2CCCC2)nn1-c1ccc(C#N)cc1 2100545630 ZGORFBBGPVXYLP-UHFFFAOYSA-N 346.438 3.429 30 50 EGEA N#Cc1c(NC(=S)NC(=O)c2ccco2)sc2c1CCCC2 284394 DTYOORCBCYBHHY-UHFFFAOYSA-N 331.422 3.218 30 50 EGEA CCSC1=N/C(=C\c2ccc(OC)c(OC)c2OC)C(=O)S1 4755211 DTZXPXYEKDAODK-NTMALXAHSA-N 339.438 3.436 30 50 EGEA C=C(C)COc1cccc(C(=O)NCc2ccc(O)c(OC)c2)c1 55327290 XNSCQMKENLEBFL-UHFFFAOYSA-N 327.380 3.286 30 50 EGEA Cc1cc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cnc1O 241776753 RSDKDMUCPUAUKU-UHFFFAOYSA-N 347.378 3.125 30 50 EGEA COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)OC(C)(C)C 169856442 HTNAUNFQAMHASO-UHFFFAOYSA-N 349.236 3.341 30 50 EGEA in-vitro O=[N+]([O-])c1ccccc1/C=C/C=N/n1c(S)nnc1-c1ccco1 13522146 MDTIRXOYFKDTLV-KJWHQMAJSA-N 341.352 3.282 30 50 EGEA COc1ccc(Br)c(B2OC(C)(C)C(C)(C)O2)c1C 169955995 AXKSFLZFRKEULD-UHFFFAOYSA-N 327.027 3.065 30 50 EGEA CN1C(=O)C[C@@H](c2ccccc2[N+](=O)[O-])C2=C1CC(C)(C)CC2=O 3171975 VLSXZLFDUSFVKO-LBPRGKRZSA-N 328.368 3.184 30 50 EGEA CC(C)(C#N)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 110981828 NZKMUZCCZCDXTG-AWEZNQCLSA-N 337.826 3.109 30 50 EGEA C=C(C)COc1ccccc1C(=O)NC[C@H](C)Oc1cccnc1 55358779 QRYBGOAQIMOMQY-HNNXBMFYSA-N 326.396 3.234 30 50 EGEA CCCCCCCCCCCNC(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 239439319 ZTMVRTJMXOQSMD-QBPKDAKJSA-N 337.460 3.288 30 50 EGEA C=CC[C@]1(C(=O)O)CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 92028794 NRKPOHNONXMSFE-IBGZPJMESA-N 343.402 3.459 30 50 EGEA C=CCn1c(CNC(=O)C(C)C)nnc1SCc1cccc(C)c1 14992460 SSWLCSJMLTVYFM-UHFFFAOYSA-N 344.484 3.337 30 50 EGEA C=CCOc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 4843476 WNRRVUUQOOPPBD-UHFFFAOYSA-N 340.398 3.353 30 50 EGEA O=C(OC/C(=N\O)c1ccccc1)c1ccc(Br)cc1 59501 NPVICPBISALKGU-SAPNQHFASA-N 334.169 3.484 30 50 EGEA C#CCOc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccnn1C 281907132 IMTYXCVZFCFUAJ-QGZVFWFLSA-N 338.411 3.191 30 50 EGEA CC(C)(C)O/N=C/c1ccc(OCC(=O)O)c(Br)c1 170591108 FWGZNRQJGJKMQK-VIZOYTHASA-N 330.178 3.062 30 50 EGEA Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/[C@@H]1CCOC1 328602092 ABPWZYYILKUEHB-VKJFTORMSA-N 341.411 3.004 30 50 EGEA CO[C@@H]1C[C@H](c2ncc[nH]2)N(c2ccc(C#N)c(C(F)(F)F)c2)C1 888077718 QXDUEHDJSOOUCE-TZMCWYRMSA-N 336.317 3.267 30 50 EGEA Cc1ccc(SCCOc2ccccc2/C=N/NC(N)=S)cc1 2969596 LFTXCSHIWVWTRY-XDHOZWIPSA-N 345.493 3.333 30 50 EGEA C[C@@H](C(=O)O/N=C(\N)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 8576404 CDXHIHQEZNUDKL-SNVBAGLBSA-N 347.758 3.215 30 50 EGEA C=CCn1cc(CNCc2cc(-c3ccccc3OC)no2)c(C)n1 55200143 IVYRRXKHJCNCHN-UHFFFAOYSA-N 338.411 3.331 30 50 EGEA COc1ccc(CN2C[C@H](O)C[C@H]2c2ccc(F)cc2)cc1C#N 339784465 HDJZIGBPPJRHNG-MSOLQXFVSA-N 326.371 3.014 30 50 EGEA N#CCc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2F)C1 225850731 DZVCMOWPCILYIG-SFHVURJKSA-N 339.370 3.497 30 50 EGEA COc1ccc(OC)c([C@H]2CCN(C(=O)c3cccc(C#N)c3)C2)c1 77542266 VXRXYCKFHGXAGE-INIZCTEOSA-N 336.391 3.205 30 50 EGEA N#C[C@H]1CCCN(C(=O)c2cccc(CN3CCCCCC3)c2)C1 426494711 XZRIUORAEIFFRC-GOSISDBHSA-N 325.456 3.438 30 50 EGEA C=CCOc1cccc(NC(=O)N(CC)Cc2nc(CC)no2)c1 96166055 XDIQZLDDXKEJHB-UHFFFAOYSA-N 330.388 3.251 30 50 EGEA Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccccc1Br 316252 AQNQDBATWOMRCG-UFWORHAWSA-N 344.216 3.330 30 50 EGEA Cc1csc(C2=C(N)N(c3cc(Cl)cc(Cl)c3)CC2=O)n1 13693294 HVUWKCXHMKPOLL-UHFFFAOYSA-N 340.235 3.475 30 50 EGEA C#CC(=O)Nc1cc(OC)c(C(=O)N(CCC)CCC)cc1Cl 1875367399 KZOOKLOYPZLOMJ-UHFFFAOYSA-N 336.819 3.183 30 50 EGEA Cc1cc([N+](=O)[O-])ccc1N/C=C\C(=O)c1ccc2c(c1)OCO2 4905346 DNEHCVNDZAUUAU-SREVYHEPSA-N 326.308 3.440 30 50 EGEA C=CCNc1ccccc1C(=O)N(C)Cc1nc(CC(C)C)no1 55568858 RIMYGKIKIJYNKS-UHFFFAOYSA-N 328.416 3.138 30 50 EGEA O=C(/C=C1/NC(=S)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 100331162 OCANHBGWSPXREK-GXDHUFHOSA-N 342.807 3.328 30 50 EGEA CC1(C)OB(c2cccc(C(=O)c3cccc(F)c3)c2)OC1(C)C 170007678 AKDUMFCHDFVHPU-UHFFFAOYSA-N 326.176 3.356 30 50 EGEA C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 331645224 VNSQMSSXTBTINC-DYXWJJEUSA-N 340.467 3.423 30 50 EGEA COc1cc(/C=C/C(=O)c2c(O)cccc2OC)cc(OC)c1OC 48057074 OEKOYDNDUSEWAD-CMDGGOBGSA-N 344.363 3.323 30 50 EGEA Cn1ncc(C2CC2)c1/C=C/C(=O)c1nc(Br)cs1 685940890 YZPHMAHGGXUQKN-SNAWJCMRSA-N 338.230 3.413 30 50 EGEA Cc1ncsc1CN(C)C[C@H]1CCN(c2ccc(C#N)cc2)C1 190444573 FECSERQYOLZCGN-MRXNPFEDSA-N 326.469 3.282 30 50 EGEA Cc1ccc(/C(N)=N/OC(=O)c2ccc(Br)cc2)cc1 5102770 ZDZCXEASLAOCHI-UHFFFAOYSA-N 333.185 3.235 30 50 EGEA N#C[C@@]1(c2ccccn2)CCCN(C[C@@H]2CCC3(CCCC3)O2)C1 852332274 PYCOWNSHBBYIRI-HKUYNNGSSA-N 325.456 3.431 30 50 EGEA CCn1c2ccccc2c2nnc(N/N=C/c3ccc(OC)cc3)nc21 3898154 DQHPAHYJDUYTGK-UDWIEESQSA-N 346.394 3.454 30 50 EGEA COc1ccc(C#N)cc1CN1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 253395484 ULRPXODJRUSOOH-QAPCUYQASA-N 344.361 3.153 30 50 EGEA CCc1noc(C)c1/C(O)=N/C1CCN(/C(O)=N/C(C)(C)C)CC1 330666286 ANURMQRDTDSBAG-UHFFFAOYSA-N 336.436 3.027 30 50 EGEA N#C[C@H](NS(=O)(=O)c1cccc(Cl)c1F)C1CCCCC1 161111527 XGRYDMCJCPFJCF-LBPRGKRZSA-N 330.812 3.230 30 50 EGEA C=CCN(Cc1cccc(OC)c1)C(=O)CCc1cc(Cl)no1 55183199 DDIPWTAIJITCEU-UHFFFAOYSA-N 334.803 3.484 30 50 EGEA CCOc1ccccc1/C=C/C(=O)c1ccc(N2C(=O)C=CC2=O)cc1 74941610 PIUGXGIPINCNGI-FMIVXFBMSA-N 347.370 3.411 30 50 EGEA C=CCn1ncc(CN(C)Cc2cc(-c3cccs3)n[nH]2)c1C 820505261 IUKGEOJYLUROQY-UHFFFAOYSA-N 327.457 3.461 30 50 EGEA Cc1ccnc(-c2ccc(NC(=O)Nc3ccn(CCC#N)n3)cc2)n1 170600059 ZAOMSSSXZQBOTP-UHFFFAOYSA-N 347.382 3.206 30 50 EGEA C#CCCC1(CCC(=O)N2CC[C@H](c3ccc(OC)cc3)C2)N=N1 952879844 BUCZOKMLHKVBLZ-INIZCTEOSA-N 325.412 3.367 30 50 EGEA C#CCOc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1ccccc1 65370021 NJTJEZJBEPIZJZ-KRWDZBQOSA-N 343.386 3.358 30 50 EGEA C#CCN(CC=C)Cc1nc(-c2ccc(OC)cc2OC)oc1C 20599858 DXCCXEHYCMMOOG-UHFFFAOYSA-N 326.396 3.288 30 50 EGEA CCOc1ccc(C(=O)/C=C(/Nc2ccc(OC)cc2)C(=O)O)cc1 83299504 KBJBPTAPIHHLLK-SFQUDFHCSA-N 341.363 3.357 30 50 EGEA CC(=O)[C@@H]1CC(=O)[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC(=O)[C@@]12C 254393681 QQFLSXLNHSKYDE-GFYPJBIUSA-N 342.435 3.082 30 50 EGEA Cc1c(Cl)cnc(NC[C@H]2CCN(CC(F)(F)F)C2)c1C#N 273390051 URESMQOFPHEUDK-SNVBAGLBSA-N 332.757 3.211 30 50 EGEA Cc1oc(C#N)cc1C(=O)N1CCOc2ccc(Br)cc21 408515566 BBUDKSYROCWTKO-UHFFFAOYSA-N 347.168 3.261 30 50 EGEA CN(C)C(=O)Cn1ccc(-c2cccc(-c3ccc(C#N)cc3)c2)n1 19227400 JGHSHXZMZNROSS-UHFFFAOYSA-N 330.391 3.177 30 50 EGEA Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@H](C)CC1=O)N2 4488251 MYIJKDQIDFCTBY-ZKANADHPSA-N 330.338 3.133 30 50 EGEA COc1cc(CN2CCC(=O)Nc3cc(F)ccc32)ccc1C#N 378129897 SNHKVAMFINPJAT-UHFFFAOYSA-N 325.343 3.055 30 50 EGEA C=C1CCN(C(=O)NCCc2ccc(OC)c(OC)c2Cl)CC1 895047456 VWECKNDLLOLASE-UHFFFAOYSA-N 338.835 3.261 30 50 EGEA C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 3875484 YLRFCQOZQXIBAB-RBZZARIASA-N 336.447 3.332 30 50 EGEA biogenic,fda COc1ccc(-c2nnc(S)n2N=Cc2cccc(F)c2)cc1 239174293 PSHWKEUYQAGHGE-UHFFFAOYSA-N 328.372 3.264 30 50 EGEA COc1ccc(-c2nnc(S)n2N=C/C=C/c2ccco2)cc1 252429453 QPNUKAIDUWHRER-QHRYSZJBSA-N 326.381 3.383 30 50 EGEA N#CCCCOc1cccnc1NC(=O)N1CCc2ccccc2C1 186441536 FQQZMNXKYYNEHB-UHFFFAOYSA-N 336.395 3.354 30 50 EGEA CC(=O)c1cccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)c1 107326 JFPSDFRUQPWEHI-UHFFFAOYSA-N 327.347 3.230 30 50 EGEA C#CCCC1(CCC(=O)NCc2c(OC)ccc3cccnc23)N=N1 1875368732 MMFPVQSFCFBFQC-UHFFFAOYSA-N 336.395 3.215 30 50 EGEA CC(C)c1ccc2ncc(C#N)c(N3CC[C@](O)(c4cc[nH]n4)C3)c2c1 2325775631 TWRDWNONMAPILT-HXUWFJFHSA-N 347.422 3.051 30 50 EGEA C#CCCC1(CCC(=O)NCCc2c[nH]c3cc(OC)ccc23)N=N1 2325886279 BTKBSFQLKXZIEY-UHFFFAOYSA-N 338.411 3.191 30 50 EGEA O=C1C[N+]([O-])=Cc2[nH]c3ccccc3c2N1c1ccc(Cl)cc1 1781178 CPPMVHVBPDZSIJ-UHFFFAOYSA-N 325.755 3.429 30 50 EGEA C=CCn1nnc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)n1 10148865 UWVQFIGWHUXRAO-UHFFFAOYSA-N 347.737 3.164 30 50 EGEA CN(C)N1C(=O)C[C@H](c2c(F)cccc2Cl)C2=C1CCCC2=O 1422730 NEACGMSVPOPATL-SNVBAGLBSA-N 336.794 3.279 30 50 EGEA CC(C)(C)C1CCC(C#N)(NC(=O)c2cccc(C(N)=O)c2)CC1 183907137 DETMXRSHCFIPII-UHFFFAOYSA-N 327.428 3.014 30 50 EGEA COc1cc(N2CCC(n3c(C)nc4ccccc43)CC2)c(C#N)cn1 408515350 PQEJKKCDGJRQCX-UHFFFAOYSA-N 347.422 3.462 30 50 EGEA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)cc1[N+](=O)[O-] 445442 BRCVESKZCNLXQK-VCHYOVAHSA-N 338.323 3.264 30 50 EGEA O=C1N/C(=N/N=C/c2ccco2)S[C@@H]1Cc1ccc(Cl)cc1 17015982 XVIPLJFVHGDSII-LFMVTYOGSA-N 333.800 3.097 30 50 EGEA Oc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1 19771351 WPIFMFZQJCPHGG-DEDYPNTBSA-N 329.831 3.197 30 50 EGEA CC(C)(C)OC(=O)N1C[C@H]2CC/C(=N\N=c3cc[nH]cc3F)C[C@H]2C1 1875267452 GRHFIPXKRRZOIW-UZYNNGDQSA-N 348.422 3.078 30 50 EGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 196624 NAOZUHXAJDKWOV-CQSZACIVSA-N 347.798 3.194 30 50 EGEA CCCOc1ccc(C2=[N+]([O-])[C@@]3(CCCCC3=O)N(O)C2(C)C)cc1 4857566 OTHKTCYNJSXXAK-IBGZPJMESA-N 346.427 3.098 30 50 EGEA CC1(C)OB(c2cc(N)cc(F)c2OCc2ccccc2)OC1(C)C 170003210 OEKNDRPXHGCSGU-UHFFFAOYSA-N 343.207 3.286 30 50 EGEA N#CC1(NC(=O)c2ccc(F)cc2C(F)(F)F)CCSCC1 152669654 JEYIGNPVHPWJTO-UHFFFAOYSA-N 332.322 3.364 30 50 EGEA C#CCCC1(CCC(=O)N2CCC[C@@H]2CN2CCC(C)CC2)N=N1 1875382385 ZJOIUYJLMWFAOU-QGZVFWFLSA-N 330.476 3.065 30 50 EGEA N#Cc1cccc(CN2CCC[C@@H](CNC(=O)C3CCCCC3)C2)c1 67975544 CIFDVWJLJHVNKD-IBGZPJMESA-N 339.483 3.467 30 50 EGEA CCn1ccnc1[C@@H]1CCCCN1/C(O)=N/[C@H](C)Cc1cc(C)[nH]n1 330277208 NXTGCMPAXODSCV-CJNGLKHVSA-N 344.463 3.007 30 50 EGEA CC(C)c1noc([C@@H](Nc2ncccc2C#N)C2CCOCC2)n1 275487861 VYJWHZHAIYBGRC-AWEZNQCLSA-N 327.388 3.039 30 50 EGEA N#C[C@@H]1CCC[C@@H](Nc2ccccc2CN2CCC(CO)CC2)C1 193112427 ZRFISWNQJWWMNH-IEBWSBKVSA-N 327.472 3.385 30 50 EGEA C=CCN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccccc2)c2ccccc21 299876 KLNMNCREQVFYHE-JNCYCUAHSA-N 333.387 3.079 30 50 EGEA N/C(Cc1cccc2ccccc12)=N\OC(=O)c1ccc([N+](=O)[O-])cc1 5042449 JDHJRNANRYUJMA-UHFFFAOYSA-N 349.346 3.420 30 50 EGEA Cc1cc(=O)oc2cc(N/C(S)=N/Cc3ccccn3)ccc12 13519561 IGKRBWTWRQNUEN-UHFFFAOYSA-N 325.393 3.394 30 50 EGEA CCOC(=O)CC(=O)CSc1nc(-c2ccccc2)ccc1C#N 3088091 PSRXLGGVLAVANJ-UHFFFAOYSA-N 340.404 3.235 30 50 EGEA COc1ccc(-c2nc(N)c(C#N)c(-c3ccc(CO)o3)c2C)cc1 67642789 VSTMUFXGBMZBPY-UHFFFAOYSA-N 335.363 3.272 30 50 EGEA C/C(O)=N/[C@@H](c1nc(COc2ccccc2)no1)C1CCOCC1 328640998 XTCBFZZDHLIZDH-MRXNPFEDSA-N 331.372 3.093 30 50 EGEA Cc1nc(C[C@@H]2CCCN(/C(O)=N/[C@@H]3C[C@H]3c3ccccc3)C2)no1 330296519 KFRIVIJGIKXVFA-BHYGNILZSA-N 340.427 3.103 30 50 EGEA C[C@H]1CN([C@H](CNCC(C)(C)CCC#N)c2cccs2)CCO1 241287060 LJMSPMVVDTWZSA-JKSUJKDBSA-N 335.517 3.429 30 50 EGEA Cc1ccc(C#N)c(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 161617815 PCZMJHWXZIRJEG-UHFFFAOYSA-N 338.367 3.218 30 50 EGEA COc1ccc([C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2N(C)C)cc1 95501652 GTDIODJRQLOASB-LEWJYISDSA-N 335.451 3.096 30 50 EGEA CCN(CC)CCNC(=O)c1ccc(N=Cc2ccccc2O)cc1 252679196 JIIOQUBMHDSXOQ-UHFFFAOYSA-N 339.439 3.214 30 50 EGEA N#C[C@]1(NC(=O)c2cc(F)c(F)cc2F)CCc2ccccc2C1 183930220 JUBAHHZPVXNZOR-SFHVURJKSA-N 330.309 3.285 30 50 EGEA C=CCC1(OCc2ccccc2)CCN(C(=O)[C@@H]2CC[C@H](N)C2)CC1 216845990 RMAVZWMVLOZRHT-MOPGFXCFSA-N 342.483 3.268 30 50 EGEA CCCCCCCCCCCC(=O)N(CC(=O)O)[C@H]1CCNC1 1875266997 JJAWXKADPBLWNK-INIZCTEOSA-N 326.481 3.182 30 50 EGEA CC(=O)C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccc(Cl)cc1 79423 SHPLLJHOSVXHSP-OAHLLOKOSA-N 328.755 3.224 30 50 EGEA COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C)cc1 9089564 IKFHBODSZAZPEZ-KRWDZBQOSA-N 337.375 3.212 30 50 EGEA COc1cc(/C=C\C(C)=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 4844793 NWINSXLDOCZLNE-SREVYHEPSA-N 341.319 3.425 30 50 EGEA N#Cc1cccc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1 65509384 QPGMVRNEWHJUQX-VQTJNVASSA-N 329.403 3.461 30 50 EGEA CN1CC[C@@H](C/N=C(/O)c2cc(F)ccc2F)[C@@H]1c1cccnc1 328637904 WBQCWYWIGWZGJR-GUYCJALGSA-N 331.366 3.357 30 50 EGEA N#C[C@@H](C(=O)c1ccnc(-n2ccnc2)c1)c1nc2ccccc2s1 122864869 RBMAJRPSKKMJDI-ZDUSSCGKSA-N 345.387 3.367 30 50 EGEA COc1cccc(Cl)c1CN/C(O)=N/C[C@@H]1CCC(C)(C)O1 331070725 CVFSANXQCUAWMU-NSHDSACASA-N 326.824 3.310 30 50 EGEA C#CC(C)(C)NC1(c2nnnn2-c2c(C)cccc2C)CCCCC1 19848419 RNYWAPRNYDHDTG-UHFFFAOYSA-N 337.471 3.440 30 50 EGEA N#Cc1ccc(N2CCC(C(=O)N[C@H]3CC[C@H]3C3CC3)CC2)c(F)c1 1875255877 FLWBAWIBPBBPDM-WMZOPIPTSA-N 341.430 3.219 30 50 EGEA CN(C)[C@@H](CNc1nc2c(c(C#N)c1C#N)CCCCCC2)C1CC1 225455795 AOXYWWMBJMHAQH-IBGZPJMESA-N 337.471 3.236 30 50 EGEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)/C(O)=N/Cc1ccsc1 328630653 QCFCMJUPLJEICP-IRXDYDNUSA-N 344.484 3.182 30 50 EGEA C=CCNC(=O)c1ccccc1NC(=O)c1c(F)cc(C#N)cc1F 154449896 ZFWIOFLFWUQKEH-UHFFFAOYSA-N 341.317 3.005 30 50 EGEA Cc1ccc(C[C@H]2CCCN2S(=O)(=O)c2sccc2C#N)cc1 2325819159 WYTIXSOAJUFFBL-MRXNPFEDSA-N 346.477 3.324 30 50 EGEA CCOC(=O)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)/C=C/N(C)C 6350158 HZNINJSNPLWUSB-SBDDDAINSA-N 344.238 3.360 30 50 EGEA C=C[C@@](C)(C=O)C[C@H]1O[C@@H](C#N)[C@@]23C(=O)CC[C@@H]2CC[C@@H](C)[C@@]13C 71786308 BWHCUUHAFYWNOR-KLOPSHJNSA-N 329.440 3.460 30 50 EGEA COC(=O)c1ccc(N/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1 444634 LONYBYOYFHJOSD-ZHACJKMWSA-N 341.363 3.299 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H](C)c2ccccc2-n2ccnc2)N=N1 1875368778 PELSYRJHNUIIFM-HNNXBMFYSA-N 335.411 3.405 30 50 EGEA COCc1ncc(-c2c(C)c(-c3ccc(C)cc3)nc(N)c2C#N)cn1 67954455 VQYXVAPBPCPLPM-UHFFFAOYSA-N 345.406 3.423 30 50 EGEA Oc1ccccc1/C=N/C(=S)C(=S)/N=C/c1ccccc1O 71769571 AHHQAAQTSSKBRG-BEQMOXJMSA-N 328.418 3.291 30 50 EGEA Cc1ccc(Br)cc1-c1noc(C2(C#N)CCOCC2)n1 289321027 YLZHRLFKZURBLU-UHFFFAOYSA-N 348.200 3.379 30 50 EGEA Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn(C)cn1 178920281 WRNBNVLIWVIQAZ-UHFFFAOYSA-N 333.351 3.040 30 50 EGEA COc1ccc(CS(=O)(=O)Cc2ccccc2C#N)cc1Cl 179154362 KZPDQQKRPUFDGT-UHFFFAOYSA-N 335.812 3.335 30 50 EGEA C[C@H](NC1(CNc2ccc(C#N)nc2)CCOCC1)c1ccccc1 170655543 NEYJCDLPUZSROL-INIZCTEOSA-N 336.439 3.265 30 50 EGEA O=S(=O)(N/N=C/c1cccc(Cl)c1)c1ccc(Cl)cc1 442002 XQQYGLAMRBOGNF-CXUHLZMHSA-N 329.208 3.306 30 50 EGEA C=CCN(Cc1ccc(C)s1)C(=O)C[C@@H]1CN(C(C)C)CCO1 55042718 DVWKFALIRYNFNL-MRXNPFEDSA-N 336.501 3.070 30 50 EGEA CC1(C)OB(c2ccc(C(=O)c3ccc(F)cc3)cc2)OC1(C)C 170007408 CDQDBJVWOUIWHG-UHFFFAOYSA-N 326.176 3.356 30 50 EGEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2nc3ccccc3s2)C1 328611617 MBAWPEIFQHLVGQ-INIZCTEOSA-N 343.412 3.070 30 50 EGEA C[C@@H](NC(=O)CN1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 244646938 GSBYCRCBBYWCPQ-GOSISDBHSA-N 347.462 3.421 30 50 EGEA C=CCOC(=O)[C@@]12[C@H]3[C@@H]4[C@@H]5[C@@H]6[C@@H]7[C@H]4[C@@H]4[C@H]8C[C@H]([C@H]43)[C@@H]1[C@@H]1C[C@H]([C@@H]87)[C@H]6[C@@H]1[C@H]52 257357272 MXXJXNBNZOAERM-RDBNHGLZSA-N 346.470 3.094 30 50 EGEA O=S(=O)(c1ccccc1)[C@@H]1C[C@H]2C[C@H]1[C@]13O[C@@]21[C@H]1CC[C@H]3[C@H]2C[C@H]21 257357105 MAUQNJAGWDVDED-JCHUQSDKSA-N 342.460 3.052 30 50 EGEA N#Cc1ccc(NC(=O)N2CCCC[C@H]2CCc2ccccn2)cn1 299772797 BXRVOJZPLVHQEF-SFHVURJKSA-N 335.411 3.367 30 50 EGEA Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)nnn1CC1CCCC1 408515097 LYJYMTBSDMGZBB-CQSZACIVSA-N 348.410 3.143 30 50 EGEA CC(=O)OC1(C#CI)C2CC3CC(C2)CC1C3 88695 KJCWEQWNIJHKOK-UHFFFAOYSA-N 344.192 3.140 30 50 EGEA C#CCCC1(CCC(=O)NCc2nc3c(s2)C[C@H](C)CC3)N=N1 2325886286 DLBFSRDUNPPTBN-GFCCVEGCSA-N 330.457 3.240 30 50 EGEA CSc1nnc(C(C)(C)C)c(=O)n1/N=C/c1ccc(Cl)cc1 93533 JOMAZPWCPYLWLB-RQZCQDPDSA-N 336.848 3.193 30 50 EGEA C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc(C#N)c[nH]1 187101434 BTTGYDSUJOJOSV-BZNIZROVSA-N 329.787 3.142 30 50 EGEA C=CCN(Cc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C1CC1 408523890 OHPDANCAFYUMBD-UHFFFAOYSA-N 343.452 3.033 30 50 EGEA CC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 5094421 DJQLNQZGMGAODV-ISLYRVAYSA-N 332.425 3.096 30 50 EGEA N#Cc1ccc(CNC(=O)[C@H]2C[C@]23CCOc2ccc(F)cc23)cc1 1857529842 UOMQDJHVKHGXKL-XLIONFOSSA-N 336.366 3.054 30 50 EGEA C=C(C)COc1c(CN(C)Cc2nncn2C(C)C)cccc1OC 55088186 OIUQLEWKLRIKGL-UHFFFAOYSA-N 344.459 3.455 30 50 EGEA C=CCN(CC=C)C(=O)c1ccc(F)cc1NC(=O)c1ccoc1 253426564 HOMQTUMDQOYXAA-UHFFFAOYSA-N 328.343 3.485 30 50 EGEA N#Cc1cc(F)c(C(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)c(F)c1 333701132 HCFAMLQQQNZNBV-KRWDZBQOSA-N 346.377 3.258 30 50 EGEA C=CCN(c1ccc(C(=O)Nc2ccc(C)cc2)cc1)S(C)(=O)=O 571552 QGWUEIZJJGRHHJ-UHFFFAOYSA-N 344.436 3.199 30 50 EGEA C#CCn1c([C@H]2CC(=O)N(Cc3cccs3)C2)nc2ccccc21 7543149 WOARDGUZLXGRQL-AWEZNQCLSA-N 335.432 3.247 30 50 EGEA CC(C)[C@H](/N=C(/O)CC/N=C(/O)OC(C)(C)C)[C@H](O)C(F)(F)F 328589770 AMDFSQRRRVHXEV-QWRGUYRKSA-N 342.358 3.010 30 50 EGEA C=CCC1(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)CCCCC1 332422558 ABBOFTBYOZPELK-UHFFFAOYSA-N 347.503 3.309 30 50 EGEA Cc1cc(C(=O)N2CCOC[C@@H](C)C2)c(C)n1-c1ccc(C#N)cc1 374352726 PZKSRGLCMQXXDF-AWEZNQCLSA-N 337.423 3.074 30 50 EGEA Cc1cc(CNc2ccc(C(=O)N3CCOCC3)cc2C)ccc1C#N 340700797 LUWMEICXOCVGBS-UHFFFAOYSA-N 349.434 3.260 30 50 EGEA CCc1ccnc(C/N=C(/O)N2CCCC[C@@H]2c2ccnn2C)c1 329610270 NSRXCSJOECWTET-QGZVFWFLSA-N 327.432 3.019 30 50 EGEA N#Cc1ccc(CN2CC[C@@H]([C@H]3CCOC3)C2)c(Br)c1 360757898 VNUTWBKDPVLVLB-HIFRSBDPSA-N 335.245 3.179 30 50 EGEA O=[N+]([O-])c1cccc(/C=N\CC/N=C/c2cccc([N+](=O)[O-])c2)c1 104225291 LCDWIXVPDSNHCZ-MJZABRMRSA-N 326.312 3.041 30 50 EGEA C[C@@H](/N=C(/O)c1cccc2oc(O)nc12)c1ccc2c(c1)OCCO2 328592729 XQKKIWQSSFIEKB-SNVBAGLBSA-N 340.335 3.370 30 50 EGEA Cc1noc([C@H](/N=C(/O)c2cccc3cc[nH]c23)C2CCOCC2)n1 328612047 NQCWQDVRINLFEI-MRXNPFEDSA-N 340.383 3.332 30 50 EGEA CC1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 5524014 KVTRMBWBQOOITL-CYBMUJFWSA-N 331.485 3.415 30 50 EGEA COc1cccc(C(=O)C[n+]2ccc(C(=O)c3ccccc3)cc2)c1 5676289 KESFJAPULKWYQQ-UHFFFAOYSA-N 332.379 3.097 30 50 EGEA CN1CC[C@@H](C/N=C(/O)c2ccc(F)cc2F)[C@@H]1c1cccnc1 328643832 YZIBRKKTQRTUHS-GUYCJALGSA-N 331.366 3.357 30 50 EGEA CC(C)(C)C1=CCN(CC/N=C(/O)[C@@H]2CCc3c[nH]nc3C2)CC1 329121003 VXURKQLFGYZWHH-CQSZACIVSA-N 330.476 3.149 30 50 EGEA N#Cc1c(NC(=O)CSc2ncccn2)sc2c1CCCCC2 3248298 NNSKYCUFPYBCCB-UHFFFAOYSA-N 344.465 3.409 30 50 EGEA N#Cc1ccc(N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)nc1 225461088 MRKIPTCNBHAQPT-SWLSCSKDSA-N 333.313 3.284 30 50 EGEA CC1(C#N)CCN(/C(O)=N/C[C@H]2CCCN2C2CCCCC2)CC1 328588008 LTQOIJJIGGHVCQ-QGZVFWFLSA-N 332.492 3.323 30 50 EGEA C=CCn1cc(CNC(=O)N2CCCC3(CCCCC3)CC2)nn1 333439036 WDGOIYMIXGRGMU-UHFFFAOYSA-N 331.464 3.110 30 50 EGEA Cc1ccc(O[C@@H](C)CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1 1669511828 GHACUPBNHRVRHS-HNAYVOBHSA-N 349.434 3.101 30 50 EGEA CCN(CC)/C(=N\S(=O)(=O)c1ccc(F)cc1)c1ccccc1 13144756 DMNKPUYMRMTNRT-ZPHPHTNESA-N 334.416 3.303 30 50 EGEA COc1ccc(-c2ncc(C(=O)N3CC(F)(F)C[C@@H]3C#N)s2)cc1 1875370368 MHWQFFZKKUFPTA-LLVKDONJSA-N 349.362 3.192 30 50 EGEA N#Cc1ccc(C2CCN(C[C@@H](O)c3ccccc3F)CC2)nc1 879026888 OCWJJPDLRFYQRZ-LJQANCHMSA-N 325.387 3.005 30 50 EGEA C=C(C)Cn1c(-c2cc(C(C)C)ncn2)nnc1N1C[C@@H]2CCC[C@@H]21 2325771416 OLSRCSMRZDUVLX-YOEHRIQHSA-N 338.459 3.423 30 50 EGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 332971 XTDLKZYNBFTMOO-AWEZNQCLSA-N 347.436 3.239 30 50 EGEA COc1cccc2c1C1(CCN(c3ccc(C#N)cn3)CC1)OCC2 2356138711 FYMITGJMYFOZJX-UHFFFAOYSA-N 335.407 3.030 30 50 EGEA C=CCOc1ccccc1CN(CC)C(=O)c1cnn(CC)c1C 55308919 OEPLECSPMZOHBG-UHFFFAOYSA-N 327.428 3.439 30 50 EGEA CC1(C)OB(c2ccccc2Oc2ccc(N)cc2F)OC1(C)C 170006572 LQEINKJBTQNKAA-UHFFFAOYSA-N 329.180 3.499 30 50 EGEA CCO[C@@H]1C[C@H](/N=C(/O)[C@H]2C[C@@H]2c2cccc(O)c2)C12CCOCC2 328588789 QBMYWKBIAXSNKZ-VSZNYVQBSA-N 345.439 3.426 30 50 EGEA C[C@H]1CCC[C@H](C)N1C/C(N)=N/OCc1noc(C2CCCCC2)n1 253428326 JDGZXYJNUOIAQT-KBPBESRZSA-N 349.479 3.169 30 50 EGEA N#CC1(CCCN2CCC[C@@](CO)(c3ccccc3)C2)CCOCC1 374556598 NLLBCNDWAPLTDZ-OAQYLSRUSA-N 342.483 3.113 30 50 EGEA CCOc1cc(Br)c(NC(=O)CC#N)cc1OCC 133090468 RGBROWFBGNZMCB-UHFFFAOYSA-N 327.178 3.099 30 50 EGEA N#Cc1ccnc(-c2ccc(C(=O)N(CCO)C3CCCCC3)cc2)c1 426584877 UFBHQINLKVARSK-UHFFFAOYSA-N 349.434 3.387 30 50 EGEA CCn1c([C@@H](C)NCC(=O)Nc2ccc(C#N)cc2)nc2ccccc21 119347619 KDBDICSHXHYSQH-CQSZACIVSA-N 347.422 3.217 30 50 EGEA C=CCCCS(=O)(=O)Nc1ncc2[nH]ccc2c1Br 864096444 GPFIAQXTUHRDOF-UHFFFAOYSA-N 344.234 3.033 30 50 EGEA C#CCCC1(CCNC(=O)c2nc(C(F)(F)F)n3ccccc23)N=N1 1875381320 QMQWERCCSYPIQI-UHFFFAOYSA-N 349.316 3.049 30 50 EGEA CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(O)=Nc1ccc2ccoc2c1 329037876 NKQQHVDLIZSBOG-YESZJQIVSA-N 344.411 3.494 30 50 EGEA COC(=O)c1ccccc1Sc1c(C#N)c(C(F)(F)F)nn1C 1387991 DRYZGOWKERBFHV-UHFFFAOYSA-N 341.314 3.248 30 50 EGEA C[C@@H](Sc1cccc(C#N)c1)C(=O)N1CC(=O)Nc2ccccc21 158748502 AOSOMUOCCODGFZ-GFCCVEGCSA-N 337.404 3.024 30 50 EGEA O=C(C#Cc1ccccc1)N(Cc1ccc(F)cc1)C1CCOCC1 276992350 CEZNYRJXVVXLOB-UHFFFAOYSA-N 337.394 3.385 30 50 EGEA C=CCOc1ccccc1CNC(=O)N1CCC([C@H]2CCCO2)CC1 195573796 DIPFUDLXKIXKBS-GOSISDBHSA-N 344.455 3.352 30 50 EGEA CCC(=O)NC(=S)Nc1nc(C)c(C(=O)/C=C/c2ccco2)s1 5500932 HUXBVSKHJMGQRG-VOTSOKGWSA-N 349.437 3.164 30 50 EGEA N#Cc1ccc(Cl)cc1N1CCC[C@H](CNC(=O)c2ccco2)C1 239722387 CCOOMFNDMDOVJC-CYBMUJFWSA-N 343.814 3.451 30 50 EGEA C=CCN(Cc1ccccc1Cl)C(=O)c1ccc2[nH]nnc2c1 55575667 CBLMQAQJDLZNGM-UHFFFAOYSA-N 326.787 3.440 30 50 EGEA N#Cc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)cn1 345054423 NFTGHDXBBSMCBB-UHFFFAOYSA-N 334.404 3.049 30 50 EGEA CC(C)(C)Nc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] 170003184 JKHFKQQCFRCEKQ-UHFFFAOYSA-N 338.188 3.244 30 50 EGEA Cc1cccc2[nH]c([C@H]3CCCN(Cc4cc(C#N)n(C)c4)C3)nc12 72158774 VQTITWYIVKCHMD-INIZCTEOSA-N 333.439 3.461 30 50 EGEA N#Cc1cccc(-c2cn([C@@H](CO)Cc3ccc(Cl)cc3)nn2)c1 91321818 VTAUKPMOTQCTDC-QGZVFWFLSA-N 338.798 3.246 30 50 EGEA N#C[C@]1(NC(=O)[C@H]2CCOc3ccccc32)CCc2ccccc2C1 183976473 UFGIMVFNZFCUJW-RXVVDRJESA-N 332.403 3.120 30 50 EGEA CCn1nccc1[C@@H]1OCC[C@H]1CNc1ncc(C#N)cc1Cl 275435995 FNPCUJBAZSGNHT-SWLSCSKDSA-N 331.807 3.013 30 50 EGEA C[C@@H](CCc1ccccc1)N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 6700586 IDJYMGIADFGRJN-AWEZNQCLSA-N 346.434 3.096 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H](C)c2ccc3nc(O)oc3c2)N=N1 2325886352 QFFIBNDDKOEOLR-NSHDSACASA-N 326.356 3.066 30 50 EGEA C#CCCC1(CCC(=O)NC[C@H](c2ccccc2)c2ncc[nH]2)N=N1 2325900042 IUEAOCUJWQPNNM-MRXNPFEDSA-N 335.411 3.014 30 50 EGEA COc1ccc(C/N=C(/S)NCc2ccc(F)cc2)cc1OC 7351611 GSCLYENJLCBDHA-UHFFFAOYSA-N 334.416 3.419 30 50 EGEA COc1ccccc1OC1CCN(Cc2cc(C#N)n(C)c2C)CC1 72145383 HGVGCCVXJVNDEH-UHFFFAOYSA-N 339.439 3.257 30 50 EGEA Cc1c([C@H](C)NCC(=O)N[C@@](C)(C#N)C2CC2)oc2ccccc12 183570502 FWHPMGGRBVQGLZ-DJJJIMSYSA-N 325.412 3.200 30 50 EGEA CN1CCN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 2288789 PDNZQQNYZWNULD-WOJGMQOQSA-N 348.790 3.090 30 50 EGEA CC1(C)OB(c2ccc(OCCCN3CCCCC3)cc2)OC1(C)C 169809940 HAAFQCQAHKMHJF-UHFFFAOYSA-N 345.292 3.241 30 50 EGEA COc1ccc2c(c1)CCC/C2=N\OS(=O)(=O)c1ccc(C)cc1 5342120 DNAQWQKSPAJSTQ-VHEBQXMUSA-N 345.420 3.450 30 50 EGEA N#Cc1ccnc(N2CCC3(CC2)C[C@@H](O)C[C@H](c2ccccc2)O3)c1 1857707576 DRFPSHZKMDPIHV-RBUKOAKNSA-N 349.434 3.205 30 50 EGEA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(O)=Nc1ccsc1 328630451 PWCLEOQGKPVJBQ-XJKSGUPXSA-N 347.488 3.042 30 50 EGEA C[C@@]1(C=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H]3[C@@H]3[C@H]2[C@@H]2[C@H]5[C@H]6[C@H](CC[C@H]6[C@H]21)O[C@H](O4)[C@]53C 257346444 GLLJQNVYACDGFA-DCMBRUFQSA-N 340.463 3.126 30 50 EGEA C[C@H](NC(=O)C1(C#N)CCOCC1)c1ccc(C(F)(F)F)cc1 109139514 CPKMWPXWYLMUBX-NSHDSACASA-N 326.318 3.203 30 50 EGEA Oc1ccc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)cc1O 1269848 FPRQPEHOSIOUMF-CAOOACKPSA-N 330.344 3.040 30 50 EGEA Cc1ccc(N(CCC#N)C(=O)c2cn(-c3ccccc3)nn2)cc1C 112286770 KQPDQYIPNVXUEC-UHFFFAOYSA-N 345.406 3.445 30 50 EGEA COc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(F)cc2)cc1 443576 RCTFKTKAHCETDG-QGZVFWFLSA-N 341.338 3.323 30 50 EGEA CN(C)C1=C(Nc2ccc(F)c(F)c2)C(=O)c2ccccc2C1=O 4725427 HQARVPMSALERGZ-UHFFFAOYSA-N 328.318 3.229 30 50 EGEA Cc1ccc(-c2cc(-c3ccccc3OCCO)c(C#N)c(N)n2)o1 67770205 ZCMUSAZECZAADV-UHFFFAOYSA-N 335.363 3.142 30 50 EGEA C=CCN1CCN(Cc2cccc(OC3CCCC3)c2)CCC1=O 1506405502 BVYLXRJSXZYHRI-UHFFFAOYSA-N 328.456 3.228 30 50 EGEA N#Cc1cccc(/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)c1 328629301 OPXVAIDGCRFWAU-GFCCVEGCSA-N 348.328 3.341 30 50 EGEA O/C(=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C1=COCCC1 328617046 CIFTWUDEPJVLIT-SNVBAGLBSA-N 329.322 3.115 30 50 EGEA CSc1nnc(C(F)F)n1/N=C/c1c[nH]nc1-c1ccccc1 6413086 PZLNHIFLJONGTR-QGMBQPNBSA-N 334.355 3.210 30 50 EGEA C=C(Br)CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 221947412 BZCLSJAYHMNEGP-CMPLNLGQSA-N 333.270 3.130 30 50 EGEA CC(C)n1cc(C#N)c(NC(=O)[C@@H]2CCOc3ccc(Cl)cc32)n1 253418880 CBHBEKUSAXUKAA-CYBMUJFWSA-N 344.802 3.494 30 50 EGEA C=C(C)Cn1c(-c2cc(C(C)C)ncn2)nnc1N1C[C@H]2CCC[C@H]21 2325771414 OLSRCSMRZDUVLX-RHSMWYFYSA-N 338.459 3.423 30 50 EGEA Cc1cc(NC(=O)c2ccc(C#N)nc2)ccc1NC(=O)C(C)(C)C 55053089 WCMFFDWHSISOKZ-UHFFFAOYSA-N 336.395 3.499 30 50 EGEA C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC[C@H]4CO)[C@H]3C[C@@H]12 252695221 WNVZVCLBASTOLF-WKOMVXTHSA-N 347.499 3.147 30 50 EGEA biogenic Cc1cc(-c2cccc(C(=O)N[C@H]3CCCC[C@@H]3O)c2)nc(C)c1C#N 584888291 WUDZADUBRXMWLR-ICSRJNTNSA-N 349.434 3.270 30 50 EGEA O=[N+]([O-])c1cccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)c1 16946464 AMMASIAPYUZIAZ-MHWRWJLKSA-N 325.353 3.398 30 50 EGEA C#CCCC1(CCC(=O)N[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]32)N=N1 952881681 QSKZNQNQRPYWCD-KBRIMQKVSA-N 327.815 3.450 30 50 EGEA C#CCCC1(CCC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)N=N1 952880052 BJEARTJMSJOIHA-INIZCTEOSA-N 342.443 3.197 30 50 EGEA CC(C)N(CC#CC[C@@](O)(c1ccccc1)C1CCCC1)CCO 1813254 XUPWMFVPLKVQOJ-OAQYLSRUSA-N 329.484 3.161 30 50 EGEA N#Cc1cccnc1SCC(=O)Nc1ccc(OC(F)F)cc1 9295480 DNBGSXWCJPHOEL-UHFFFAOYSA-N 335.335 3.285 30 50 EGEA COc1cc(OC)cc(C(=O)O[C@@H](C)C(=O)c2ccc(C#N)cc2)c1 328590485 HKZITIXVKJUDLV-LBPRGKRZSA-N 339.347 3.004 30 50 EGEA CN1CC[C@@H](C/N=C(/O)CC[C@@H]2CCCCO2)[C@@H]1c1cccnc1 328622571 IMGFKRMVWKTDHY-LNLFQRSKSA-N 331.460 3.380 30 50 EGEA N#C[C@@H]1CN(c2nc3ccccc3s2)C[C@@]12C(=O)Nc1ccccc12 241644421 PQOMZINQJDXRQC-CWTRNNRKSA-N 346.415 3.146 30 50 EGEA COc1cccc([C@@H]2C[C@@H](O)CN2c2c(F)cc(C#N)cc2F)c1 283340978 AZRAWXKXAXITNI-DYVFJYSZSA-N 330.334 3.157 30 50 EGEA Cn1cc(CN2CCC[C@H](c3ccn[nH]3)C2)c(-c2ccc(C#N)cc2)n1 179944419 RHQIFXJEBGPEPN-KRWDZBQOSA-N 346.438 3.061 30 50 EGEA N/C(=N\OC(=O)C(c1ccccc1)c1ccccc1)c1cccnc1 5027377 GUKBELCODPYZJR-UHFFFAOYSA-N 331.375 3.077 30 50 EGEA C[C@H]1C[C@H]1c1nc(C#N)c(N2CCN(c3ccccc3F)CC2)o1 1775965149 GJCGXVGPTJERKT-QWHCGFSZSA-N 326.375 3.135 30 50 EGEA Cc1ccc(C(=O)OCCNc2ncccc2C#N)c2cccnc12 2325854668 OYPRDJIWMZBCMU-UHFFFAOYSA-N 332.363 3.079 30 50 EGEA OCCC#Cc1ccc(-c2nccn2-c2ccc3cn[nH]c3c2)cc1 67919912 LKRNJJKOCPEBFI-UHFFFAOYSA-N 328.375 3.150 30 50 EGEA C=CCN(Cc1cccnc1)C(=O)[C@@H](CC)Nc1cccc(OC)c1 65382577 CIJXWCQGAHQFNI-LJQANCHMSA-N 339.439 3.496 30 50 EGEA C[C@H](C1CC1)n1cc(N=C(O)N2CCN(C)c3ccccc3C2)cn1 328596271 ZRRAZNSEAWSVQV-CQSZACIVSA-N 339.443 3.352 30 50 EGEA Cc1cc(C#N)nc(N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)n1 288211441 DDQLMGGDQBLNCJ-CQSZACIVSA-N 341.846 3.193 30 50 EGEA N#Cc1cccc(C#N)c1N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 302909236 YMEMDLDCOZJQSC-AWEZNQCLSA-N 345.328 3.487 30 50 EGEA COc1cccc(C[C@@]2(CO)CCCN(CC#Cc3ccccc3)C2)c1 12570980 HHBHOBJTPGNADA-QHCPKHFHSA-N 349.474 3.364 30 50 EGEA CCc1c(C#N)c(N)nc(SCC(=O)c2ccc(C)cc2)c1C#N 19337953 KMHAILNWUHLBEA-UHFFFAOYSA-N 336.420 3.253 30 50 EGEA CC(C)(C)CC(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 404917313 QDXWYASKKBWVHS-UHFFFAOYSA-N 335.228 3.500 30 50 EGEA CC1(C)OB(C2=CCN(c3nccc(C(F)F)n3)CC2)OC1(C)C 1776007472 FPMNULMUFDFANO-UHFFFAOYSA-N 337.179 3.182 30 50 EGEA C=CCn1cc(CN2CCc3[nH]cnc3[C@@H]2Cc2ccccc2)cn1 67713034 AFJBNRJUZYPEHU-IBGZPJMESA-N 333.439 3.134 30 50 EGEA C[C@H](C#N)CN(C)Cc1nc(N)c2c3c(sc2n1)CCCCC3 169978626 XABHUZGORZCZHC-LLVKDONJSA-N 329.473 3.134 30 50 EGEA CCCOc1nc(C)ccc1C(=O)Nc1nn(C(C)C)cc1C#N 195580404 VJUOXRKPCDABRQ-UHFFFAOYSA-N 327.388 3.080 30 50 EGEA O/C(CN1CCC2(CC1)OCCO2)=N\c1cc(Cl)cc(Cl)c1 82111353 FRJOPHSERMMNJG-UHFFFAOYSA-N 345.226 3.420 30 50 EGEA CCc1noc(CN(CC)C(=O)Nc2ccc(C#N)cc2CC)n1 95507284 AZWQHWXAXFEYDY-UHFFFAOYSA-N 327.388 3.120 30 50 EGEA N#Cc1cc(NCCc2nc3cc(F)ccc3[nH]2)ccc1[N+](=O)[O-] 167003955 WNBADCRDLYLYHZ-UHFFFAOYSA-N 325.303 3.136 30 50 EGEA Cn1cc(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)cc1C#N 278560998 AWULEPUUVXKAPO-LBPRGKRZSA-N 337.349 3.018 30 50 EGEA C#CCOc1ccccc1NC(=O)N1CCO[C@H](c2cccs2)C1 188087665 MJBFNTRLQRQJOG-INIZCTEOSA-N 342.420 3.366 30 50 EGEA C=CCc1cccc2cc(C(=O)NCCc3ccccc3)c(=O)oc12 82776 ADJUJJFHCFTHQZ-UHFFFAOYSA-N 333.387 3.494 30 50 EGEA Cc1ccc(-c2nc(C#N)c(N3CC[C@@H](c4nc(C)no4)C3)o2)cc1 1857798804 BFJFAYGPSUPTLY-CQSZACIVSA-N 335.367 3.207 30 50 EGEA C=C(C)COc1cccc(C(=O)NCCCc2c(C)n[nH]c2C)c1 55053223 WRYLFIFRMFJMPI-UHFFFAOYSA-N 327.428 3.344 30 50 EGEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC/C=C/c1ccc(C#N)cc1 328625521 KVEKTSFRXQFOKQ-BJUCQYRTSA-N 336.439 3.042 30 50 EGEA O=[N+]([O-])c1ccc(N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 33836746 KBVJUJOSOKKCKM-VIZOYTHASA-N 336.691 3.308 30 50 EGEA C=CCn1ncc(CN2CCN(c3cccc(Cl)c3)CC2)c1C 820505290 ORSHZWVOXHDTST-UHFFFAOYSA-N 330.863 3.353 30 50 EGEA C=CCN1C[C@H](C(=O)Nc2cccc(Cl)c2OCCC)CC1=O 952860189 HLSMEGHQYOUIQD-GFCCVEGCSA-N 336.819 3.102 30 50 EGEA C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)COC(=O)C(=C)C 2539792 KVQKTWAXEMSAGH-UHFFFAOYSA-N 348.239 3.131 30 50 EGEA in-vitro C=CCn1c(=O)c(C(=O)Nc2ccc(C)cc2)c(O)c2ccccc21 100498438 OJHXNUZRYLRMNQ-UHFFFAOYSA-N 334.375 3.454 30 50 EGEA C=CCc1cc(C)ccc1OCCOCCN1C[C@H](C)O[C@@H](C)C1 20167268 PIPKRWKAGGDCBT-ROUUACIJSA-N 333.472 3.228 30 50 EGEA CN1CC[C@@H](CN=c2c(C#N)c[nH]c3ccccc23)[C@@H]1c1cccnc1 377990397 PGOXUKGEMCVARN-KKSFZXQISA-N 343.434 3.028 30 50 EGEA N/C(=N\OC(=O)c1ccccc1CCc1ccccc1)c1ccccn1 4832716 WFACQCJAFXWYES-UHFFFAOYSA-N 345.402 3.344 30 50 EGEA C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 253433352 VYWLBQSQQSMINI-RHSMWYFYSA-N 349.858 3.131 30 50 EGEA COc1ccc(C(=O)[C@H]2CCCN(c3cc(C#N)ccn3)C2)cc1F 71764110 GTTRAGHHPYJBNF-HNNXBMFYSA-N 339.370 3.200 30 50 EGEA C[C@@]1(Br)C[C@H]1C(=O)NC1(c2ccc(C#N)cc2)CCC1 862144362 ZOVLTUYRCGSTNY-DZGCQCFKSA-N 333.229 3.227 30 50 EGEA C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCc2cc(O)ccc2[C@H]1C 1875274750 XVQWFYYMWIBRRE-ZIAGYGMSSA-N 336.391 3.177 30 50 EGEA C=CCn1nc(C(=O)O)c2c1CC[C@H](N(C)Cc1sccc1C)C2 67910121 UXMBBQJBMXUAAF-ZDUSSCGKSA-N 345.468 3.127 30 50 EGEA C=CCNc1cc(CS(=O)(=O)c2ccc(Cl)cc2)nc(C)n1 5423399 AVCQGKNILYNGLN-UHFFFAOYSA-N 337.832 3.010 30 50 EGEA C=C(C)COc1ccc(NC(=O)N2CCCN3CCC[C@H]3C2)cc1 299792093 CYGGNKVWQZCICW-KRWDZBQOSA-N 329.444 3.344 30 50 EGEA CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 12865013 NKONQGNRIXJJEE-UHFFFAOYSA-N 347.846 3.435 30 50 EGEA Cc1oc(C#N)cc1C(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 253433275 VAMYSVWZLGKCTF-RHSMWYFYSA-N 337.423 3.100 30 50 EGEA Oc1c(/C=N/Nc2nc(-c3ccncc3)no2)ccc2ccccc12 1875264386 MZBLKWIRAHPCNT-RGVLZGJSSA-N 331.335 3.436 30 50 EGEA C=CCNC(=O)N1CC[C@]2(CCCN(CCC3CCCCC3)C2=O)C1 11765983 PVZCMCBIUHSJCV-HXUWFJFHSA-N 347.503 3.167 30 50 EGEA COc1cccc([C@H]2C[C@@H](O)CN2Cc2ccc(F)cc2C#N)c1 337507744 GPFGMJCLEGRNIN-IEBWSBKVSA-N 326.371 3.014 30 50 EGEA C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 175966848 XRNFKGWMVWGYFD-ZDUSSCGKSA-N 342.830 3.059 30 50 EGEA N#Cc1ccccc1N(Cn1cncn1)C(=O)c1ccc(Cl)cc1 22014215 DHYFOQIQQILSMI-UHFFFAOYSA-N 337.770 3.108 30 50 EGEA N#Cc1cc(C(=O)N(Cc2ccccn2)c2ccc(F)cc2)ccn1 193484333 MNJWPUOWVUJJNO-UHFFFAOYSA-N 332.338 3.334 30 50 EGEA CC(C)Oc1ccc(-c2csc(N=C(O)c3cnnn3C)n2)cc1 330032042 HKHSZXBRSVIHJK-UHFFFAOYSA-N 343.412 3.362 30 50 EGEA Cn1cc(/C=C/C(=O)c2cc(Br)no2)c(C(C)(C)C)n1 888099619 SYZRDRZTOLJVQY-AATRIKPKSA-N 338.205 3.364 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H](Cc2ccccn2)c2cccnc2)N=N1 2325899962 GIYDZJRGYAKEIV-SFHVURJKSA-N 347.422 3.232 30 50 EGEA Cc1ccc(C#N)cc1S(=O)(=O)N(C)[C@@H](C)Cc1cccc(F)c1 416562148 PMPYDUGWRDVFGL-AWEZNQCLSA-N 346.427 3.258 30 50 EGEA C=C(C)COc1cccc(C(=O)N(C)[C@H](COC)c2ccccn2)c1 55225073 WYLNERNTWIWCPN-LJQANCHMSA-N 340.423 3.496 30 50 EGEA CN(C)C(=O)c1cccc(C/N=C(/O)N2CC3(CCCCC3)C2)c1 329564398 KCPFTAYUUSVNSB-UHFFFAOYSA-N 329.444 3.069 30 50 EGEA Cc1nc(C/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)cs1 328632146 RQNSRAJQGMLARY-YOEHRIQHSA-N 330.457 3.039 30 50 EGEA CC(C)c1nc2n(n1)C[C@H](/N=C(/O)Nc1scnc1C1CC1)CC2 328928245 XTIHTPIGBFQQDU-LLVKDONJSA-N 346.460 3.076 30 50 EGEA C[C@@H]1CCCCN1c1cc(C(=O)Nc2ccc(C#N)c(C#N)c2)ccn1 152631171 STMFFQZCAYTIRV-CQSZACIVSA-N 345.406 3.456 30 50 EGEA CC1(C)OB(c2cnn(-c3ccc(Cl)cc3Cl)c2)OC1(C)C 380910458 KXRHPILWTJQIPE-UHFFFAOYSA-N 339.031 3.478 30 50 EGEA Cc1ccc(NCC(=O)N[C@](C)(C#N)C(C)C)c(Br)c1 170600433 OXSDWDGPJGFZDG-OAHLLOKOSA-N 338.249 3.224 30 50 EGEA C=CCCC(=O)N(C)C[C@H]1CCCN(CCc2ccccc2OC)C1 12373700 VJXCROOMBCHNER-GOSISDBHSA-N 344.499 3.374 30 50 EGEA COc1ccccc1N1CC(=O)C(c2nc3ccccc3s2)=C1N 132197 ANJZBDNILKRHEF-UHFFFAOYSA-N 337.404 3.022 30 50 EGEA CN(/C(N)=N/C[C@H]1CCCN(C)[C@@H]1c1cccc(Cl)c1)C1CC1 252570764 XCJFIBMJSUDHRY-RHSMWYFYSA-N 334.895 3.132 30 50 EGEA COc1cc(OC)cc(C(=O)O[C@H](C)C(=O)c2ccc(C#N)cc2)c1 328590484 HKZITIXVKJUDLV-GFCCVEGCSA-N 339.347 3.004 30 50 EGEA C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC/C2=C\CO 257358186 SBMHTRUNPKWTLU-CQZHNCCLSA-N 330.468 3.408 30 50 EGEA Cc1nnc(N2CCC(CN3CCc4ccccc43)CC2)c(C#N)c1C 301250716 MPGMPTKGTMBEJQ-UHFFFAOYSA-N 347.466 3.244 30 50 EGEA COc1cccc2c1C1(CCN(c3cc(C#N)ccn3)CC1)OCC2 1704296984 BFZGENCINDPXIQ-UHFFFAOYSA-N 335.407 3.030 30 50 EGEA C[C@H](CS(C)(=O)=O)n1ccc2c(C(F)(F)F)c(C#N)ccc21 208146348 SKDVMPZQJMZEAC-SECBINFHSA-N 330.331 3.137 30 50 EGEA in-vitro N#Cc1ccc(C2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)nc1 879026623 JSVFSOFYDXGSLR-LJQANCHMSA-N 325.387 3.005 30 50 EGEA CCCCc1ccc(S(=O)(=O)N/N=C(/C)c2ccncc2)cc1 15934442 QETFHSQIQVLPNO-RGEXLXHISA-N 331.441 3.127 30 50 EGEA C#CCCC1(CCC(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)O)N=N1 952876481 RXBDROWTACZLQF-HOTGVXAUSA-N 345.443 3.224 30 50 EGEA C=CCC1(C(=O)NCC2(F)CCN(C(=O)OC(C)(C)C)CC2)CC1 1875297941 IZRLYXSDUURUQV-UHFFFAOYSA-N 340.439 3.198 30 50 EGEA CCCC[C@@H](CC)Cn1c(=N)c(C#N)cc2c(=O)n3ccccc3nc21 100660408 GAAFWZIWXLUDIF-CQSZACIVSA-N 349.438 3.217 30 50 EGEA C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](O)Cc1ccccc1Cl 425120774 BABCLNDBYXDVIR-SCLBCKFNSA-N 342.826 3.335 30 50 EGEA C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 242038589 VMJCRDFZATXZJK-YARXLOAZSA-N 340.423 3.044 30 50 EGEA N#Cc1ccc(-c2nnc(CN3CC[C@H](O)c4ccccc4C3)o2)cc1 374804659 CNGNSZAUURLZIT-SFHVURJKSA-N 346.390 3.048 30 50 EGEA CC[C@@]12OC(=N)[C@@](C#N)([C@@H]1C)C(C#N)(C#N)[C@@H](c1ccc(C)cc1)O2 136606155 PSEFZTALOJAXRE-LLBUTXAOSA-N 334.379 3.360 30 50 EGEA C#CCNc1cc2oc3cc(=[N+](C)C)ccc-3nc2c2ccccc12 86012807 YFCBWOFMYCEIRK-UHFFFAOYSA-O 328.395 3.163 30 50 EGEA C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1C[C@@H]1OC(=O)C=C12 257357980 RBULKOMEEZXUGR-GCLVLASRSA-N 340.419 3.159 30 50 EGEA CC(C)CN/C(=N\c1ccc([N+](=O)[O-])cc1)n1nnc2ccccc21 6364233 WEHUETAMWOXKMV-UHFFFAOYSA-N 338.371 3.121 30 50 EGEA C=C[C@](C)(C[C@@H]1C[C@H]2CC[C@H]1C2)OC(=O)C[C@@H]1CCS(=O)(=O)C1 225401206 PEILSFBSOICGPW-IQWQSGHPSA-N 340.485 3.125 30 50 EGEA C=CCN[C@@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl 24061592 ICRWHEGZPYJNTF-XEHSLEBBSA-N 333.646 3.288 30 50 EGEA C/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccncc1 25579799 FFOGJYLDMXVOKQ-RCCKNPSSSA-N 328.847 3.277 30 50 EGEA Cn1cc(/C(O)=N/[C@@H]2CCc3cc(F)ccc32)c([C@H]2CCOC2)n1 328627117 MJUOEEZAXNHXJF-BLLLJJGKSA-N 329.375 3.055 30 50 EGEA N#Cc1ccc(-c2cccc(C(=O)NCC3(O)CCCCC3)c2)cn1 426632901 PZKNFIOVRAGLNO-UHFFFAOYSA-N 335.407 3.045 30 50 EGEA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C 257359026 XYVVSFGOAQGVRE-CZUPSRJTSA-N 328.452 3.470 30 50 EGEA N#Cc1cccc(N2C(=O)N[C@@H](Cc3cccc4ccccc34)C2=O)c1 170613781 GOXWROOEMLAUJM-IBGZPJMESA-N 341.370 3.379 30 50 EGEA Cc1c(Br)c2ccccc2n1CC(=O)NC1(C#N)CCC1 170606585 DXLMHICRCCTVHF-UHFFFAOYSA-N 346.228 3.275 30 50 EGEA N#C[C@H](C(=O)c1cccc2nc(O)oc12)c1nc(C2CC2)cs1 647378510 BCQKJOUDKAQVQU-SNVBAGLBSA-N 325.349 3.357 30 50 EGEA CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C 2361581 VOXMVGANEOCRCI-UHFFFAOYSA-N 338.477 3.067 30 50 EGEA C=CCn1c(S)nnc1COc1ccc(Br)cc1 2536737 XBGQDDPNLHZYMR-UHFFFAOYSA-N 326.219 3.094 30 50 EGEA N#Cc1ccnc(N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)c1 285135814 SJQSPEHOMFCHSK-WFASDCNBSA-N 333.313 3.284 30 50 EGEA C[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@@H]1[C@H]1CC[C@](C)(O)[C@]1(C)C[C@H]2O 257358327 SUKMOMANEUHOTO-RTICLRTCSA-N 332.484 3.486 30 50 EGEA COc1ccc(NC2=C/C(=N\OC(C)=O)c3ccccc3C2=O)cc1 257540349 FCKWWLLFNXODFC-HEHNFIMWSA-N 336.347 3.155 30 50 EGEA N#Cc1cc(C#N)c(SCC2([C@@H]3CCCCO3)CCC2)nc1N 952884012 REOCWLQJTVEYEO-AWEZNQCLSA-N 328.441 3.239 30 50 EGEA C#CCCC1(CCC(=O)NCc2ccnc(-c3ccccc3)n2)N=N1 2325892320 IZTWZGJEUSMKTM-UHFFFAOYSA-N 333.395 3.116 30 50 EGEA CCN(C(=O)c1cccc(C#CC(C)(C)O)c1)[C@H]1CCOC(C)(C)C1 65383683 OUKXRQHTSBZESP-SFHVURJKSA-N 343.467 3.229 30 50 EGEA C=CCc1cc(CN2CCCN(C(=O)c3ccco3)CC2)ccc1O 67515325 NNAFVCSODKJBEB-UHFFFAOYSA-N 340.423 3.062 30 50 EGEA CCc1nc(C/N=C(/O)N2CCCC[C@@H]2c2ccnn2C)cs1 328587162 ANIPLSFWPITUFG-CQSZACIVSA-N 333.461 3.080 30 50 EGEA CCOc1ccc(CNC(=S)N/N=C/[C@@H]2CCOC(C)(C)C2)cc1 4964922 DKIJSFXDVZIYTC-OOWUWCJESA-N 349.500 3.240 30 50 EGEA N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCO[C@@H]1c1cccnc1 283100274 VMANSNCVHKECKM-GXTWGEPZSA-N 334.301 3.309 30 50 EGEA C=CCCC(=O)N1C[C@H](c2cccc(OC)c2)[C@@H]2[C@H]1C1CCN2CC1 95387600 FFTJTWAFOHFKAD-HMXCVIKNSA-N 340.467 3.050 30 50 EGEA Cc1ccc2nc(CCCNC(=O)N3CCC(C#N)CC3)[nH]c2c1C 584896514 KOXZQJPKNKLSPN-UHFFFAOYSA-N 339.443 3.058 30 50 EGEA N#Cc1ccc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1F 192125670 PRWSTHZPZWKLRS-KBXCAEBGSA-N 332.325 3.283 30 50 EGEA CC(C)(C#N)c1ccccc1CN1C(=O)N[C@](C)(C(C)(C)C)C1=O 193739289 GZYJXSGAMSHCPU-IBGZPJMESA-N 327.428 3.344 30 50 EGEA COc1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1O 13111977 ACWQHGALMWELFB-MOSHPQCFSA-N 345.830 3.210 30 50 EGEA CN(C)c1ccc(C#N)cc1CNc1nnc(C(F)(F)F)s1 865290426 YTCCWMPZSJGABB-UHFFFAOYSA-N 327.335 3.107 30 50 EGEA C#CCCC1(CCC(=O)N2CCCC[C@@H]2c2nccn2CC)N=N1 952882936 ZHWAFRRDXVXYSH-OAHLLOKOSA-N 327.432 3.312 30 50 EGEA Cc1ccc(N(Cc2cn3ccccc3n2)C(=O)[C@@H](C)C#N)cc1F 1875360703 GQBFIZHGCLUWRB-AWEZNQCLSA-N 336.370 3.475 30 50 EGEA C#CCCC1(CCC(=O)Nc2ncccc2OCc2ccncc2)N=N1 2325892395 LVBXLINWSDZKIJ-UHFFFAOYSA-N 349.394 3.350 30 50 EGEA COc1ccc(NC(=O)N(C)[C@H](C)Cc2ncccc2C)cc1C#N 426599766 PWORCKZHIHQQEC-CQSZACIVSA-N 338.411 3.365 30 50 EGEA CC(=O)[C@@H]1CC(=O)[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]12C 254393682 QQFLSXLNHSKYDE-IPSAEJOYSA-N 342.435 3.082 30 50 EGEA O=C1N/C(=N\c2ccc(F)cc2)S/C1=C1\C(=O)Nc2ccccc21 13777942 FKHOZTQBFJOYNQ-YPKPFQOOSA-N 339.351 3.040 30 50 EGEA Cc1nn(CCO)c2ncc(-c3cc(C4(C#N)CC4)ccc3F)cc12 1875303792 MSGPKPQOTYBXCL-UHFFFAOYSA-N 336.370 3.093 30 50 EGEA CC1=CC(=O)C=C(C)C1=NOC(=O)c1ccccc1Br 265571 QBYFWOGSSPKKJE-UHFFFAOYSA-N 334.169 3.437 30 50 EGEA C=CCN(Cc1ccccc1OCC)C(=O)c1c(O)cccc1O 55270137 RAFMXQIREWMVEE-UHFFFAOYSA-N 327.380 3.325 30 50 EGEA C=CCN[C@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl 24061595 ICRWHEGZPYJNTF-MMQHEFTJSA-N 333.646 3.288 30 50 EGEA Cc1ccc(OCCN(C)[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 137618104 PWRAZKNDNGQZRV-QGZVFWFLSA-N 343.471 3.037 30 50 EGEA Cc1nn(C)cc1-c1cc(-c2cc3ccccc3[nH]2)c(C#N)c(N)n1 71764776 ZFTMSTUCQASTCF-UHFFFAOYSA-N 328.379 3.393 30 50 EGEA C=CCN1CC2(CCC1=O)CCN(CC[C@@H](O)c1ccccc1)CC2 91550722 KMJSFGFSERJNGC-LJQANCHMSA-N 342.483 3.001 30 50 EGEA C[C@@H]1CC[C@@]23OC(=N)[C@@](C#N)([C@H]2C1)C(C#N)(C#N)[C@H](c1ccccc1)O3 252469991 GHTRPRHOWLFKPL-PALCPLIKSA-N 346.390 3.441 30 50 EGEA Cc1csc([C@@H](C)CNC(=O)c2cccc(C#CC(C)(C)O)c2)n1 299798642 TYMOFGHPMKGRGD-ZDUSSCGKSA-N 342.464 3.107 30 50 EGEA N#C[C@H](C(=O)c1ccc2c(c1)CCC(=O)N2)c1cnc2ccccc2n1 190894185 NRPCXMGLMPOSOL-AWEZNQCLSA-N 342.358 3.005 30 50 EGEA C#CCCC1(CCC(=O)N2CCC(c3ncc(Cl)cn3)CC2)N=N1 952879187 BAYHLITWPMFYPE-UHFFFAOYSA-N 345.834 3.192 30 50 EGEA COc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1[N+](=O)[O-] 1054860 PVJZCPQWPLYEDD-UHFFFAOYSA-N 331.353 3.406 30 50 EGEA N#Cc1ccnc(N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)c1 343242513 KULOLGWBDFDHIG-CABCVRRESA-N 333.313 3.284 30 50 EGEA N#Cc1ccc(CN2CCC(Oc3ccccc3)(C(=O)O)CC2)cc1 72421079 FVPQLQPKRWOTDC-UHFFFAOYSA-N 336.391 3.056 30 50 EGEA COc1cc(/C(C)=N/Nc2ccccc2C(=O)O)cc(OC)c1OC 4587180 MXJKEDHOTNXTTD-YBFXNURJSA-N 344.367 3.247 30 50 EGEA Cc1cc(CCNC(=O)[C@H]2CCCCN2C2CCCC2)ccc1C#N 1875340600 JUXZLQYKLCXPAE-HXUWFJFHSA-N 339.483 3.323 30 50 EGEA N#Cc1ccccc1/C=C/C(=O)OCCCOc1cncc(Cl)n1 2325749107 OLJJELONAUEHHU-VOTSOKGWSA-N 343.770 3.027 30 50 EGEA C=C[C@H]1CCCCN1C(=O)c1ccc(CN2CCSCC2)cc1 252499425 SAKKNAPEBLIOOB-SFHVURJKSA-N 330.497 3.416 30 50 EGEA COc1ccc(-c2nc(C)c(C(=O)/C=C/N(C)C)s2)cc1OC 1403843 DBOLESYBRJSSFK-CMDGGOBGSA-N 332.425 3.394 30 50 EGEA CN1CCCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c2ccccc21 241171008 KDNNVFWEOZQNIW-GOSISDBHSA-N 344.418 3.114 30 50 EGEA N#CC1(c2ccccc2)CCN(C(=O)c2ccc3nccn3c2)CC1 91562899 ABTIZCLQGFEDHW-UHFFFAOYSA-N 330.391 3.032 30 50 EGEA COc1cccc2c1C1(CCN(c3nc(C)ccc3C#N)CC1)OCC2 1704313612 JQJNYTIBJVMBPJ-UHFFFAOYSA-N 349.434 3.339 30 50 EGEA O=S(=O)(/N=C(/Nc1nccs1)c1ccccc1)c1cccs1 15906642 GWLQPSSYLVWOAM-UHFFFAOYSA-N 349.462 3.452 30 50 EGEA Cc1ccc(CC[C@@H](C)/N=C(/O)N2CCCC23CCN(C)CC3)o1 328586836 SBMYMSIQNWXKGM-OAHLLOKOSA-N 333.476 3.383 30 50 EGEA CC[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ncccc1C 2325745996 QIKHFIRZFCESJY-RTBURBONSA-N 348.450 3.104 30 50 EGEA C#CCCN(CC)C(=O)[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 2325824832 SFHLPPXOTJPIOI-LLVKDONJSA-N 341.238 3.440 30 50 EGEA CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccco1 20058125 AQNTWVPFUBVYNT-INIZCTEOSA-N 335.359 3.411 30 50 EGEA Cc1nc2c(B3OC(C)(C)C(C)(C)O3)ccc(Br)c2o1 170008816 QYOQVUVSNVGLJU-UHFFFAOYSA-N 338.010 3.198 30 50 EGEA Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1 22010649 FPOHNWQLNRZRFC-ZHACJKMWSA-N 349.434 3.327 30 50 EGEA fda COc1cccc([C@@H]2C[C@@H](O)CN2Cc2ccc(F)c(C#N)c2)c1 282047043 GFQLFACQPKBLET-APWZRJJASA-N 326.371 3.014 30 50 EGEA C[C@H](Nc1cnn(-c2ccccc2)c1)C(=O)NC1(C#N)CCCCC1 126048950 CXTPEKSICSXQLB-HNNXBMFYSA-N 337.427 3.015 30 50 EGEA COc1cccc([C@H]2C[C@H](O)CN2Cc2ccc(F)cc2C#N)c1 337507746 GPFGMJCLEGRNIN-PKOBYXMFSA-N 326.371 3.014 30 50 EGEA CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 292468011 MMYKLOUWEXZTHO-INIZCTEOSA-N 332.310 3.096 30 50 EGEA Cc1cnccc1NC(=O)N1CCCN(c2ccccc2C#N)CC1 179860424 QGUWOPLGQLMMOG-UHFFFAOYSA-N 335.411 3.006 30 50 EGEA CC(C)(C)[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1O 272341615 BTLNQZHNORCYFA-NEPJUHHUSA-N 327.350 3.205 30 50 EGEA COc1ccc(C(=O)/C=C\Nc2ccc3c(c2)OCO3)cc1OC 13381917 RFHCRAKOXLLWSR-FPLPWBNLSA-N 327.336 3.241 30 50 EGEA CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2cccc(C#N)c12 2529493 HBWBLNDQNMOFCU-UHFFFAOYSA-N 348.358 3.227 30 50 EGEA N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)CCC1CCCCC1 4845084 INKQKVAFFIXPLY-UHFFFAOYSA-N 333.388 3.313 30 50 EGEA O=C1C2=C(NC(=S)N[C@H]2c2ccc(Cl)cc2)c2ccccc21 1390284 QKYPDVVVCBSKTA-AWEZNQCLSA-N 326.808 3.466 30 50 EGEA biogenic CC(=O)N(C1CCC1)[C@@H]1CCCN(Cc2ccc(C#N)s2)CC1 328630763 JTDXXQSCMWOWHY-MRXNPFEDSA-N 331.485 3.375 30 50 EGEA N#Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 77299155 XPRVYRUTMHTFIB-CQSZACIVSA-N 339.370 3.024 30 50 EGEA C=CCOC(=O)[C@H]1CC=CC[C@H]1C(=O)OCc1ccc(F)cc1F 23279729 TVWMSLAJFYBAJH-LSDHHAIUSA-N 336.334 3.320 30 50 EGEA N#Cc1ccc(NC2CCN(C(=O)c3cccc4cc[nH]c34)CC2)nc1 170597677 SKPFHEMSHUZEFB-UHFFFAOYSA-N 345.406 3.151 30 50 EGEA Cc1ncsc1CN(C)C[C@H]1CCN(Cc2cc(C#N)cs2)C1 190467932 PTTBMMMNYQLUBI-CQSZACIVSA-N 346.525 3.339 30 50 EGEA C#CCCC1(CCC(=O)N2C[C@@H](N(C)C)CCc3ccccc32)N=N1 952879854 BWNMRJGRKDNMLK-KRWDZBQOSA-N 338.455 3.252 30 50 EGEA C[C@H](OC(=O)C[C@H](NC(N)=O)c1ccccc1)c1ccc(C#N)s1 2325874175 COKGIHBXOOQDJT-FZMZJTMJSA-N 343.408 3.024 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)o1 194911 NUNWMAFEZAJIBX-KRWDZBQOSA-N 329.396 3.365 30 50 EGEA COc1ccc(NC(=O)CSc2nc3c(cc2C#N)CCC3)cc1 2821193 CULLJLRZKCXSPQ-UHFFFAOYSA-N 339.420 3.181 30 50 EGEA C[C@@H]1CCc2sc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c(C#N)c2C1 100630661 OEFZKLVDEPGSFD-OWWRBYITSA-N 338.432 3.056 30 50 EGEA COc1ccccc1[C@@H]1C[C@H]1NC(=O)[C@@H](C)Oc1ccccc1C#N 229410912 SWANXWKAMIWCIQ-XOKHGSTOSA-N 336.391 3.006 30 50 EGEA N#Cc1cccnc1N1CCC[C@](CO)(CCOc2ccccc2)C1 67983341 KGWVLIWINQSIKO-FQEVSTJZSA-N 337.423 3.001 30 50 EGEA Cc1nc(C[C@H]2CCCN(/C(O)=N/[C@@H]3C[C@H]3c3ccccc3)C2)no1 330296525 KFRIVIJGIKXVFA-HYVNUMGLSA-N 340.427 3.103 30 50 EGEA N#Cc1ccc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 127637438 FTXOYWKVONROER-UHFFFAOYSA-N 345.355 3.477 30 50 EGEA CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(C#N)c(F)c2)[nH]n1 291994060 WRPJNKPJULWGHH-JTQLQIEISA-N 336.392 3.125 30 50 EGEA C[C@H](c1nccs1)N(C)C(=O)c1ccc(C#CC(C)(C)O)cc1 823637435 DCFVGULVFBRIOT-CYBMUJFWSA-N 328.437 3.099 30 50 EGEA C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc(C#N)c[nH]1 187101482 BTTGYDSUJOJOSV-MEDUHNTESA-N 329.787 3.142 30 50 EGEA Cc1cccc(C[C@H]2S/C(=N/N=C/c3cccs3)NC2=O)c1 5214306 XNAHVTAYDZVMIW-NGWPFTMJSA-N 329.450 3.221 30 50 EGEA Cc1noc(C)c1CN[C@H]1CCCN(c2ccc(C#N)cc2F)C1 109351836 VJAJHRWPPZBKAS-HNNXBMFYSA-N 328.391 3.061 30 50 EGEA C#CCCC1(CCC(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)O)N=N1 952876480 RXBDROWTACZLQF-CVEARBPZSA-N 345.443 3.224 30 50 EGEA CC(C)(NC(=O)Cc1cccc(OCC#N)c1)c1nc2ccccc2[nH]1 952993092 WACDVTZMICFPMO-UHFFFAOYSA-N 348.406 3.059 30 50 EGEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 281045160 RMKSTBZHAXVFHV-HCXYKTFWSA-N 344.455 3.187 30 50 EGEA COc1ccc(C(=O)[C@@H]2CCCN(c3cc(C#N)ccn3)C2)cc1F 71764109 GTTRAGHHPYJBNF-OAHLLOKOSA-N 339.370 3.200 30 50 EGEA CC#CC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1 12438953 QDRWVXCSSKTZHC-KRWDZBQOSA-N 337.423 3.034 30 50 EGEA C#CC[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2385799 ALHPEVGGGAQSCG-CQSZACIVSA-N 349.386 3.392 30 50 EGEA Cc1[nH]ccc1/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328618519 DUQCMPMRNLWIAG-SNVBAGLBSA-N 326.322 3.106 30 50 EGEA Cc1c(Cl)cnc(NC[C@@H]2CCN(CC(F)(F)F)C2)c1C#N 273390047 URESMQOFPHEUDK-JTQLQIEISA-N 332.757 3.211 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(C)n1 100231422 DMGSUCAJDRTLFG-GOSISDBHSA-N 340.423 3.167 30 50 EGEA N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 348968622 SVEFQBQMLAJMMN-HXUWFJFHSA-N 344.418 3.191 30 50 EGEA CCn1cc(-c2cc(-c3ccc(OC)cc3)nc(N)c2C#N)c(C)n1 67884521 KYYSKPLPFSORPX-UHFFFAOYSA-N 333.395 3.403 30 50 EGEA O/C(=N/[C@@H]1CCO[C@H]1C1CC1)Nc1cc(F)ccc1Br 328586241 UNKBKPUBOJAKNS-YPMHNXCESA-N 343.196 3.482 30 50 EGEA C[C@@H]1CCC[C@H](OC/C(O)=N/[C@@H]2CCO[C@@H](c3cncn3C)C2)C1 328623696 JHLKUKRFZAZTFQ-PNBKFKSVSA-N 335.448 3.192 30 50 EGEA CC(=O)c1ccc2c(c1)CCN(c1ccc([N+](=O)[O-])c(C#N)c1)CC2 253428038 GQMIDODWNTVXCY-UHFFFAOYSA-N 335.363 3.274 30 50 EGEA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1cccc2ccccc12)[C@@H]1C[C@@H]31 245380749 KCWQNWPQOBZSRR-HJEXZQTOSA-N 342.398 3.227 30 50 EGEA N#Cc1cccc(NC(=O)c2ccc(I)cc2)c1 443521 VYBQEDGMQZNWIL-UHFFFAOYSA-N 348.143 3.415 30 50 EGEA CN1[C@H]2CC[C@H]1CC([C@@H](NC(=O)CC#N)c1ccc(Cl)cc1)C2 374900340 HBRCTJOOCXOJKX-BQFCYCMXSA-N 331.847 3.284 30 50 EGEA CC[C@@H](C(=O)O/N=C(\N)c1ccc(OC)c(OC)c1)c1ccccc1 6954843 SNPLEUKTXZKLPK-OAHLLOKOSA-N 342.395 3.061 30 50 EGEA C=CCSc1nnc([C@@H]2CCCN(Cc3ccccc3O)C2)n1C 20820237 QALIMDNNYMVREN-OAHLLOKOSA-N 344.484 3.178 30 50 EGEA C[Si](C)(C)c1ccc(C/N=C(/O)CCNC(=O)c2ccco2)cc1 328598547 MVTZLQOMMOXPNF-UHFFFAOYSA-N 344.487 3.101 30 50 EGEA CN(Cc1ccccn1)[C@@H]1CCCN(/C(O)=N/[C@@H]2C=CCCC2)CC1 328632918 LOZVCTYBHNEOKH-IEBWSBKVSA-N 342.487 3.391 30 50 EGEA Cc1onc(CC(=O)Nc2ccc(Nc3ccccc3)nc2)c1C#N 353890287 GXXHXDXSSXEKIT-UHFFFAOYSA-N 333.351 3.175 30 50 EGEA Cn1c([C@@H](C#N)C(=O)c2coc(Br)c2)nc2ccccc21 122124919 JPNPOORSFGABJK-JTQLQIEISA-N 344.168 3.419 30 50 EGEA Cc1cc(C)c(C#N)c(N2CCC[C@@](Cc3ccccc3)(C(=O)O)C2)n1 71750777 YBAJXOIAZKHUGJ-NRFANRHFSA-N 349.434 3.484 30 50 EGEA C[C@](O)(CNC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccsc1 151303381 DZPOHZVFPNTFOO-WMZOPIPTSA-N 343.452 3.300 30 50 EGEA N#Cc1cc2[nH]c3ccccc3c2n(-c2ccc([N+](=O)[O-])cc2)c1=N 100303710 SVNWDFBGXLJHSP-UHFFFAOYSA-N 329.319 3.371 30 50 EGEA CCc1ccc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c(O)c1 328588506 RQTPACYCLCVLOH-IBGZPJMESA-N 336.391 3.040 30 50 EGEA N#Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)cn1 77299157 XPRVYRUTMHTFIB-AWEZNQCLSA-N 339.370 3.024 30 50 EGEA Cn1nccc1CNc1c(C#N)cnc2c(Br)cccc12 225644147 AWFKGQLSXWFSSO-UHFFFAOYSA-N 342.200 3.215 30 50 EGEA N#Cc1cccc([C@@H]2CN(Cc3c(Cl)ccnc3F)CCO2)c1 1204664405 IJXRXJNAQWTYNR-INIZCTEOSA-N 331.778 3.319 30 50 EGEA C#CCCC1(CCC(=O)NC2CCN(CC3CCCC3)CC2)N=N1 952880376 DXNRZBFCOMDIAW-UHFFFAOYSA-N 330.476 3.113 30 50 EGEA CC[C@@H](C)C(=O)OC[C@]1(c2ccc(C)cc2OC(=O)C(C)C)CO1 1608518 DBEFONQGRSUFQO-AUUYWEPGSA-N 334.412 3.371 30 50 EGEA endogenous,in-man CC#CC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 253392270 KPEWYHDPBYGRER-PBHICJAKSA-N 338.373 3.228 30 50 EGEA C[C@@]1(C=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H]3[C@@H]3[C@H]2[C@@H]2[C@H]5[C@@H]6[C@H](CC[C@H]6[C@H]21)O[C@H](O4)[C@]53C 257346445 GLLJQNVYACDGFA-LVLLEDCZSA-N 340.463 3.126 30 50 EGEA C=CCN(Cc1ccccc1OC)C(=O)[C@H](C)N1CCCCCC1 952960983 UQKGVLBZIHJTRR-KRWDZBQOSA-N 330.472 3.474 30 50 EGEA N#Cc1cccnc1N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280444011 KPJUJJSZKPSCCM-SWLSCSKDSA-N 333.313 3.284 30 50 EGEA COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccccc2F)c1 548646 FALARGXHXHDVOU-QGZVFWFLSA-N 341.338 3.323 30 50 EGEA C=CCNc1nc(N)c(C(=O)c2ccc(Br)cc2)s1 2379968 RMBRASBYUXFJAE-UHFFFAOYSA-N 338.230 3.317 30 50 EGEA N#CCc1cccc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)c1 455902748 HLKITRMPONETPW-KRWDZBQOSA-N 326.444 3.092 30 50 EGEA C/C(=N\Nc1ccccc1)c1c(O)c(Br)c(C)oc1=O 169726890 HTHHXCBTJDQREA-LZYBPNLTSA-N 337.173 3.252 30 50 EGEA C[C@@H](NC(=O)C1(C#N)CCOCC1)c1ccc(C(F)(F)F)cc1 109139516 CPKMWPXWYLMUBX-LLVKDONJSA-N 326.318 3.203 30 50 EGEA C=CCc1cccc2cc(C(=O)Nc3cccc(C(=O)O)c3)c(=O)oc12 206343 SIYYXVCRKMIJHU-UHFFFAOYSA-N 349.342 3.472 30 50 EGEA C=C/C(O)=N/Cc1ccccc1CN1C(=O)C2(CCCCC2)N=C1O 328597147 DXLKMAQVCWUPKB-UHFFFAOYSA-N 341.411 3.288 30 50 EGEA C[C@H](C1CC1)n1cc(N=C(O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cn1 329828008 IZTVZPCDWXKWNC-KCXAZCMYSA-N 332.448 3.289 30 50 EGEA CSc1cc(Br)cc(B2OC(C)(C)C(C)(C)O2)c1 169746545 WPCGZCGXKQLVBR-UHFFFAOYSA-N 329.068 3.470 30 50 EGEA in-vitro C=CCNc1ncnc2sc(C(=O)N3CCC(C)CC3)c(C)c12 14992089 DZTURIBYXCTHLD-UHFFFAOYSA-N 330.457 3.470 30 50 EGEA Cc1c(C#N)c(N2CCO[C@@H](c3ccccn3)C2)nc2ccccc12 1149805369 JUFYZKAASMFJAY-LJQANCHMSA-N 330.391 3.388 30 50 EGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 332968 LRNXUFGJTBOSHN-HNNXBMFYSA-N 341.407 3.177 30 50 EGEA Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S1 13914817 NBCFQQKRTPFTAW-WQLSENKSSA-N 329.337 3.388 30 50 EGEA C=CCc1ccc(OCCCSc2nc(N)cc(O)n2)c(OC)c1 16527153 SBFIHOZLNZDKHM-UHFFFAOYSA-N 347.440 3.063 30 50 EGEA Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccccc2F)cc1 17146407 VWLPEKBLJHROIX-MRXNPFEDSA-N 325.339 3.342 30 50 EGEA N#Cc1cccc(NC(=O)c2ccc(N3C[C@@H]4CC[C@H](C3)O4)cc2)c1 1875340209 QKDFJBCMURBOTI-KDURUIRLSA-N 333.391 3.178 30 50 EGEA CC[C@@]1(C)NC(=O)N(/N=C2\CCCc3c2[nH]c2ccc(C)cc32)C1=O 1775985697 URDVJNYCDFKYGH-QTCOBDOFSA-N 338.411 3.237 30 50 EGEA C/C(C[C@@]1(O)C(=O)Nc2ccccc21)=N\Nc1cccc2cccnc12 22342673 BCRPQKQWGRZSBN-IYHCKTHZSA-N 346.390 3.253 30 50 EGEA C#CCN1CCC(NC[C@H](c2ccccc2)N2CCCCCC2)CC1 820365061 HMQMRQKXCCFBTD-JOCHJYFZSA-N 339.527 3.291 30 50 EGEA N#Cc1ccc(N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)cc1Cl 253392204 GISCPFDVWXVZBS-DJJJIMSYSA-N 348.793 3.062 30 50 EGEA COc1ccccc1[C@H](C)NC1CCN(c2ccc(C#N)cn2)CC1 161690928 MJPBUHGRJBICKO-HNNXBMFYSA-N 336.439 3.281 30 50 EGEA Cc1ccc(C#N)c(NCCC2CCN(CC(F)(F)F)CC2)n1 161715890 GLNKXXXWHITATN-UHFFFAOYSA-N 326.366 3.338 30 50 EGEA N#Cc1sc(N[C@H]2CCN(c3ccccc3F)C2=O)nc1Cl 225651338 DWCAHKOMUVNWBO-VIFPVBQESA-N 336.779 3.025 30 50 EGEA C=C(C)COc1c(CN[C@H](C)c2ncnn2CC)cccc1OC 55109081 BEPCHNFSIWZVQK-CQSZACIVSA-N 330.432 3.112 30 50 EGEA CCc1ccccc1/N=C(\S)N1CCN(c2ccccn2)CC1 6871090 IBIIGHMTVUQPOA-UHFFFAOYSA-N 326.469 3.384 30 50 EGEA COc1cccnc1N=C(O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 328594694 SDCIGDFEVDMZOR-WBMJQRKESA-N 345.374 3.237 30 50 EGEA Cc1noc([C@H](/N=C(/O)[C@@H]2C[C@@H]2c2ccco2)C2CCOCC2)n1 328615126 XSCQPOWFGKMJJD-GZBFAFLISA-N 331.372 3.199 30 50 EGEA CN(C)c1ccccc1N=C(O)N1CCC(C(=O)OC(C)(C)C)CC1 330631173 FEPVXLIDXUCDQG-UHFFFAOYSA-N 347.459 3.352 30 50 EGEA Cc1ncc(S(=O)(=O)N2C[C@H](C(C)C)c3ccccc32)cc1C#N 331920985 HHHOFELJMINBPC-QGZVFWFLSA-N 341.436 3.210 30 50 EGEA COC(=O)C1=C(C)N/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 4094863 BHPFMYPVFBJKEH-LDADJPATSA-N 349.386 3.226 30 50 EGEA C=CCc1cc(CN2CCC[C@@H]2C2(O)CC2)cc(OCC)c1OC 1772813845 WMTMKKYUWJUNJA-GOSISDBHSA-N 331.456 3.312 30 50 EGEA N#Cc1c(-c2cc(Cl)ccc2OCC(=O)O)cc(C2CC2)nc1N 71749309 MDLSDBAWLPOVLD-UHFFFAOYSA-N 343.770 3.197 30 50 EGEA CC1(C)OB(c2cccc(NC(=O)c3ccccc3F)c2)OC1(C)C 405050857 HXWYSTQAQUYMJH-UHFFFAOYSA-N 341.191 3.377 30 50 EGEA C=CC/N=C(\S)N1CCN(c2cccc(C(F)(F)F)c2)CC1 8683488 DJBARJXKFZWMOY-UHFFFAOYSA-N 329.391 3.299 30 50 EGEA CN(C)C[C@@H]1COCCN(Cc2ccccc2C#Cc2ccccc2)C1 72161220 WQPGPQIREYWDKV-NRFANRHFSA-N 348.490 3.096 30 50 EGEA C(#Cc1ccccc1)CN1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 286476928 YQPSHIQEBSSZJF-QZTJIDSGSA-N 337.423 3.500 30 50 EGEA N#Cc1cc(N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)ccn1 284945956 JNYZZTOMEJSJPK-HZPDHXFCSA-N 333.313 3.284 30 50 EGEA CCOc1cccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c1 129701 NNTZJFMOSKCNDU-SFHVURJKSA-N 341.407 3.226 30 50 EGEA N#Cc1ccc(NC(=O)c2ccc(I)cc2)cc1 449973 VYZONPZYPSHLHI-UHFFFAOYSA-N 348.143 3.415 30 50 EGEA N#Cc1ccccc1CN1CCC[C@H](CNC(=O)C2CCCCC2)C1 67880293 QZZKLCIFIGENMP-QGZVFWFLSA-N 339.483 3.467 30 50 EGEA Cc1noc([C@@H](/N=C(/O)c2cccc3[nH]ccc23)C2CCOCC2)n1 328612738 PPUUTGSHLKOTQG-INIZCTEOSA-N 340.383 3.332 30 50 EGEA Cc1n[nH]c(C)c1CN(C)[C@H](C(=O)O)c1ccc(C(C)(C)C#N)cc1 95368337 LIVLRVJLJHVEGT-KRWDZBQOSA-N 340.427 3.085 30 50 EGEA CC(C)Cc1cc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)[nH]n1 97505383 JSLDLLIFVJXLPS-UHFFFAOYSA-N 336.439 3.306 30 50 EGEA Cc1ccc(S(=O)(=O)N/N=C\c2ccc(OC(C)C)cc2)cc1C 32577567 KYIBPOKXGSRERM-UNOMPAQXSA-N 346.452 3.403 30 50 EGEA Oc1ccc2ccccc2c1/C=N/n1c(S)nnc1-c1ccncc1 1259923 CMAIWILCYITNEX-RGVLZGJSSA-N 347.403 3.370 30 50 EGEA N#Cc1ccc(N2CCC(CN3CCCCC3=O)CC2)cc1Cl 225595977 RXGLBNIGARHXTC-UHFFFAOYSA-N 331.847 3.441 30 50 EGEA CC[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ncccc1C 2325745993 QIKHFIRZFCESJY-MOPGFXCFSA-N 348.450 3.104 30 50 EGEA CN/C(S)=N/N=C\c1ccc(OCc2ccccc2)c(OC)c1 4749719 DXNYJNKZSSKVKT-ODLFYWEKSA-N 329.425 3.113 30 50 EGEA C=CCN(c1ccc(C(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O 4810874 KHKDQSNFUCYTSI-UHFFFAOYSA-N 348.399 3.030 30 50 EGEA COC(=O)C[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccccc1 217607855 JWTFREBEOZEACE-HNNXBMFYSA-N 336.343 3.225 30 50 EGEA biogenic Cc1ccccc1-c1cccc([C@@H](C#CCCO)N2CCOCC2)c1 96140855 WZWCPAAKFBPFFN-JOCHJYFZSA-N 335.447 3.421 30 50 EGEA CCn1nc(C)c(C(=O)Nc2nc3cc(C#N)ccc3n2CC)c1C 270891035 MXHOPXDVXYMMGY-UHFFFAOYSA-N 336.399 3.013 30 50 EGEA COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2sccc2C#N)c1 190890956 YJFMYJSULPWRCJ-OCCSQVGLSA-N 328.393 3.379 30 50 EGEA COc1ccc(/C=N/Nc2nncc(-c3ccccc3)n2)c(OC)c1 5016045 FFYPNNDQOUPXCL-YBFXNURJSA-N 335.367 3.002 30 50 EGEA N#CC1(CC(=O)N2CCC(c3ccc(Cl)cn3)CC2)CCOCC1 952884395 BDOVXKQCERKYFZ-UHFFFAOYSA-N 347.846 3.151 30 50 EGEA C#CCCC1(CCC(=O)NC2(c3ccccc3)CCOCC2)N=N1 952880545 GVFRWCXIEOJCOI-UHFFFAOYSA-N 325.412 3.164 30 50 EGEA OC(=Nc1c[nH]nc1-c1ccccc1F)[C@H]1CCc2c[nH]nc2C1 328586448 XPGRFWGCIINRLF-JTQLQIEISA-N 325.347 3.332 30 50 EGEA Cc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1/C(O)=N/[C@H]1CCC(O)=NC1 328604827 LGNNFFGZUFAZQP-RFUYNDQBSA-N 328.412 3.419 30 50 EGEA Cc1ccc(CC/N=C(/O)[C@H]2CCO[C@@H]2c2cnn(C(C)C)c2)cn1 328617226 CMRVQILPFPQSCP-ZWKOTPCHSA-N 342.443 3.444 30 50 EGEA C[C@@H]1C(C#N)(C#N)[C@@]2(C#N)C(=N)O[C@@]1(C)O[C@H]2c1ccccc1Cl 245326484 KSIJAWXPQCVRDP-QYDQDYAYSA-N 340.770 3.315 30 50 EGEA CC1CCC2(CC1)OC[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)O2 167466485 RCWBAYGWXDPJNO-YAJUMTOWSA-N 331.372 3.200 30 50 EGEA C=CCOc1ccc(CN2CCOC[C@H]2c2nc(C)no2)cc1Cl 188466939 DDFNBHFHIWAMSO-HNNXBMFYSA-N 349.818 3.170 30 50 EGEA N#CCSCC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 193434354 IBNXJYDWHADURV-UHFFFAOYSA-N 336.844 3.018 30 50 EGEA Oc1ccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)cc1 1269008 LWTBHSOPYMCADE-RQZCQDPDSA-N 330.800 3.475 30 50 EGEA O=C(NCc1cccnc1)c1ccc(C#CC2(O)CCCCC2)cc1 1187965 LYVCHUBNUYEVGA-UHFFFAOYSA-N 334.419 3.058 30 50 EGEA CN1CC[C@@H](C/N=C(/O)COC2CCCCC2)[C@@H]1c1cccnc1 328631805 RIXCAYRNTDOKEB-LPHOPBHVSA-N 331.460 3.380 30 50 EGEA Cn1ccnc1[C@H]1CCN(C(O)=Nc2ncc(C(C)(C)C)s2)C1 328777014 CXIBVFMMEVAUQK-NSHDSACASA-N 333.461 3.209 30 50 EGEA C=CCOc1ccc(C(=O)N2CCC[C@H](COC)CC2)cc1OC 457024300 DQUMDXMYXDJMLM-HNNXBMFYSA-N 333.428 3.149 30 50 EGEA C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC[C@H]4CO)[C@H]3C[C@H]12 252695222 WNVZVCLBASTOLF-YKFXCJJJSA-N 347.499 3.147 30 50 EGEA biogenic OC(=Nc1cc(Cl)c(Cl)cn1)N1CCCC[C@@H]1c1nc[nH]n1 328594341 DDONLJRTKAHNRP-SNVBAGLBSA-N 341.202 3.279 30 50 EGEA CCc1ccsc1/C(O)=N/[C@H](c1nc(C)no1)C1CCOCC1 328615437 YKFCPYOMUFDXEK-ZDUSSCGKSA-N 335.429 3.474 30 50 EGEA C#CCCC1(CCC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)N=N1 952881020 NJCDUEKHGLWDIL-IRXDYDNUSA-N 325.412 3.379 30 50 EGEA N#Cc1ccc(N2CCC[C@H]2c2ccc(N)nn2)cc1C(F)(F)F 886086340 SXWIIHXTQBKOIU-AWEZNQCLSA-N 333.317 3.291 30 50 EGEA CC(C)OC(=O)C(=O)/C=C(/Nc1ccc(O)cc1)c1ccccc1 100087560 IRODDMKJKSADTG-SFQUDFHCSA-N 325.364 3.366 30 50 EGEA C=CCc1cc(CN2CCC(NC(C)=O)CC2)ccc1OC(C)C 55413202 NULVVDFDOZKNLQ-UHFFFAOYSA-N 330.472 3.303 30 50 EGEA N#Cc1ccccc1CN1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2=O 92028652 KLTYZXZXUBVOJS-LEWJYISDSA-N 345.446 3.181 30 50 EGEA C[C@@H](NC1(CNc2ccc(C#N)nc2)CCOCC1)c1ccccc1 170655545 NEYJCDLPUZSROL-MRXNPFEDSA-N 336.439 3.265 30 50 EGEA O=S(=O)(/N=C(/Nc1ccccn1)c1ccccc1)c1ccccc1 5278389 ZNYUPEQXQIKTKE-UHFFFAOYSA-N 337.404 3.329 30 50 EGEA COc1ccc(C(=O)C[n+]2ccc(Cc3ccccc3)cc2)cc1OC 4542450 UHOFQHZKYJEEDA-UHFFFAOYSA-N 348.422 3.465 30 50 EGEA CCSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C1=C(CCCC1=O)N2 6677828 UQTSNYYCGBHOBP-HNNXBMFYSA-N 342.424 3.118 30 50 EGEA C#CCOc1cccc([C@@H]2CC(=O)Nc3c2cnn3C2CCCC2)c1 72117636 HUNYNDKGJKRAMB-KRWDZBQOSA-N 335.407 3.484 30 50 EGEA CN(Cc1cc(C#N)n(C)c1)CC1CCN(Cc2ccccc2)CC1 72457881 CTMVASCLSAVYQC-UHFFFAOYSA-N 336.483 3.241 30 50 EGEA [N-]=[N+]=Nc1cc([N+](=O)[O-])cc2c1C(=O)N(Cc1ccccc1)[S@]2=O 245257021 VTERQTXNYMKNAR-DEOSSOPVSA-N 343.324 3.215 30 50 EGEA Cn1cc(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)cc1C#N 278560971 AWULEPUUVXKAPO-GFCCVEGCSA-N 337.349 3.018 30 50 EGEA CCc1c(C#N)c(N)nc2sc(C(=O)Nc3ccccc3)c(N)c12 13757315 YBLNRGSWEMWOJH-UHFFFAOYSA-N 337.408 3.147 30 50 EGEA CC[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ncccc1C 2325745995 QIKHFIRZFCESJY-RBUKOAKNSA-N 348.450 3.104 30 50 EGEA C=CCn1c(=O)c(C(=O)Nc2cccc(C)c2)c(O)c2ccccc21 100470666 MXZDNRBCVMNSIW-UHFFFAOYSA-N 334.375 3.454 30 50 EGEA C=CCc1cc(-c2c(C#N)c(N)nc3c2N2CCC3CC2)ccc1O 101329825 SXQCGMYXZNHRAT-UHFFFAOYSA-N 332.407 3.334 30 50 EGEA N#Cc1cc2c(nc1NC(=O)[C@@H]1CCc3ccccc3O1)CCCC2 333208073 ZFNFLWQBAKPLBC-SFHVURJKSA-N 333.391 3.164 30 50 EGEA COc1c(C)cc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1C 179495500 IMUFQDKAMMIZST-UHFFFAOYSA-N 326.400 3.388 30 50 EGEA C[C@@H]1CCCCN1C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]21 252694290 IHANHCGTYJEQAK-BPOVIGQYSA-N 347.499 3.388 30 50 EGEA biogenic C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc(C#N)c[nH]1 187101450 BTTGYDSUJOJOSV-ZBEGNZNMSA-N 329.787 3.142 30 50 EGEA CCNC(=S)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1 2531737 QHQIKGMJIVCINA-UDWIEESQSA-N 327.453 3.392 30 50 EGEA N#Cc1ccc(N=C(O)CCN2CCOCC3(CC3)C2)cc1Cl 329362022 CSEALZPNAOVSHO-UHFFFAOYSA-N 333.819 3.302 30 50 EGEA N#Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)N(Cc2ccccc2)C3)c1 247648665 LRRBLSNZVBJUFD-FPOVZHCZSA-N 345.446 3.295 30 50 EGEA CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(C(C)C)cc1 96598 NYGOHHRVPKTXKW-AEFFLSMTSA-N 343.423 3.273 30 50 EGEA O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccccc1)n1ncnc1N2 4435926 XHIGTUVIKQAZIQ-SCLBCKFNSA-N 332.363 3.287 30 50 EGEA C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(Cl)cccc1Cl 4845054 VXTVHVQJKBZUEW-ZDUSSCGKSA-N 341.194 3.351 30 50 EGEA Cc1nscc1/C(O)=N/[C@@H](c1c(C)nn(C)c1C)C(F)(F)F 330779561 CTFJPHJKHSHJPN-NSHDSACASA-N 332.351 3.410 30 50 EGEA C[C@@H]1CCCCN1C(=O)c1ccc(N=C(O)c2cccc(O)n2)cc1 328886031 ZLRTWGXSCPDIAR-CYBMUJFWSA-N 339.395 3.438 30 50 EGEA COc1cccc([C@@H]2C[C@H](O)CN2Cc2ccc(F)cc2C#N)c1 337507742 GPFGMJCLEGRNIN-HKUYNNGSSA-N 326.371 3.014 30 50 EGEA C(=NNc1cc(N2CCCC2)nc(N2CCCC2)n1)c1cccs1 252320853 XNTNQJBEXZYALP-UHFFFAOYSA-N 342.472 3.185 30 50 EGEA C#C[C@@H](Cc1ccc(F)cc1F)N(C)C(=O)c1c[nH]c2ncccc12 1875391542 ZGZZZQNQHXIWSJ-AWEZNQCLSA-N 339.345 3.158 30 50 EGEA Cc1nn(C(C)(C)C)cc1[C@H](C)/N=C(/O)N1C[C@H](C)O[C@H](C2CC2)C1 329984673 QMEKRCPKGGVBPW-DCGLDWPTSA-N 348.491 3.421 30 50 EGEA C#CCCC1(CCNC(=O)c2ccc3nc(COC)sc3c2)N=N1 2325887337 HHVSODCVTGZKKT-UHFFFAOYSA-N 342.424 3.138 30 50 EGEA C=C/C(O)=N/Cc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 328597637 IHMNHCKSGIIMJX-UHFFFAOYSA-N 327.350 3.100 30 50 EGEA C/C(O)=N/[C@@H](c1nc(COc2ccc(F)cc2)no1)C1CCOCC1 328633977 SYYNSNIACRADSB-MRXNPFEDSA-N 349.362 3.232 30 50 EGEA Cc1nsc(C)c1/C(O)=N/[C@@H](C)C1(N2CCOCC2)CCCC1 328851493 VCCISAIFKVKGQX-AWEZNQCLSA-N 337.489 3.098 30 50 EGEA COc1cccc([C@@H]2C[C@H](O)CN2Cc2cc(C#N)ccc2F)c1 282427592 YXBFIPLKNIBVOU-LPHOPBHVSA-N 326.371 3.014 30 50 EGEA N#Cc1ccc(F)c(CN2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 340237598 OSIDDQSXQZSXKS-KSSFIOAISA-N 332.325 3.283 30 50 EGEA COc1cccc([C@H]2CCCN2Cc2cc(C#CCO)cs2)c1 828644672 WWSUBXMXBOMCEP-LJQANCHMSA-N 327.449 3.438 30 50 EGEA N#Cc1ccccc1/C=C/C(=O)N1CC[C@]2(C1)OCc1ccccc12 186960583 QDIYQYMEJAVODY-LCCNJJIFSA-N 330.387 3.229 30 50 EGEA CN1C(=O)/C(=C\c2cccnc2)S/C1=N\c1cccc(C(=O)O)c1 13207308 LUYRKZQQVYTULD-OBHXIIETSA-N 339.376 3.014 30 50 EGEA Cn1c(B2OC(C)(C)C(C)(C)O2)cc2ccc(Br)cc21 206176330 PLOKIUPSPWQDAY-UHFFFAOYSA-N 336.038 3.240 30 50 EGEA C/C(O)=N/CC(=O)N(Cc1cccs1)C1Cc2ccccc2C1 328586779 PEQZCABSXSBZES-UHFFFAOYSA-N 328.437 3.221 30 50 EGEA Cc1ccc(C#N)c(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)n1 225519950 XMOHVPIPVZQZOX-LBPRGKRZSA-N 335.333 3.388 30 50 EGEA CCCOc1ccc(/C=N/n2c(S)nnc2-c2ccncc2)cc1 4873337 NOUUQFVALFPRTI-XDHOZWIPSA-N 339.424 3.300 30 50 EGEA O=C(O)CCC/C=C1/C[C@@H]2[C@@H](C#CC3(O)CCCCC3)[C@@H](O)C[C@H]2C1 64858015 LGIPMFCHTFFLFR-PCLKITIKSA-N 346.467 3.273 30 50 EGEA in-vitro CC(C)(C)OC(=O)n1ncc2c(B3OC(C)(C)C(C)(C)O3)cccc21 170007842 QOHRWWXGGDSKKK-UHFFFAOYSA-N 344.220 3.119 30 50 EGEA CSc1ccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)cc1 1429749 HYIZIACQDLVXKS-CQSZACIVSA-N 330.453 3.208 30 50 EGEA O=S(=O)(O[C@@H]1CC[C@H]2CC[C@H]21)c1ccc(Br)cc1 71785343 ICMSWNALDAFPPO-OASPWFOLSA-N 331.231 3.343 30 50 EGEA O=C1C(=NO)c2ccccc2[N+]1CCOc1ccc2ccccc2c1 343516895 IBNAUZPPTKUHQT-UHFFFAOYSA-N 332.359 3.409 30 50 EGEA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]45O[C@]35CC[C@]12C 257346479 JLQLCPKXYHMMHD-XHYRXIGBSA-N 330.424 3.335 30 50 EGEA C=CCNC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1ccco1 12274048 PEDHDZDHBXZOGJ-UHFFFAOYSA-N 328.759 3.097 30 50 EGEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(c2nccs2)C1 1857719066 BUGIOJXXMQVHHJ-CQSZACIVSA-N 329.425 3.319 30 50 EGEA CC1(C)OB(c2ccc(NC(=O)c3cccs3)cc2)OC1(C)C 405000509 LKGCFFKTRAZTOZ-UHFFFAOYSA-N 329.230 3.300 30 50 EGEA Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)N1CCCCC1 405158612 ZNORGKKRQHXHPF-UHFFFAOYSA-N 344.264 3.312 30 50 EGEA Fc1cccc(Cl)c1/C=N/n1c(S)nnc1-c1ccccn1 6000468 YWKIIQFCTUNCQO-QGMBQPNBSA-N 333.779 3.304 30 50 EGEA C=CCN(Cc1cccnc1)C(=O)CCC(=O)NC1CCCCCC1 55309671 DUFYWSQNGZRFCA-UHFFFAOYSA-N 343.471 3.215 30 50 EGEA N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1 328588272 NHFHZIJEHYHTAN-CABCVRRESA-N 342.399 3.060 30 50 EGEA COCCn1cc2c(n1)[C@@H](/N=C(/O)c1ccoc1C1CC1)CCC2 328586654 TVLPDDBWVUFVPG-HNNXBMFYSA-N 329.400 3.382 30 50 EGEA Cc1cnc([C@@H](C)C/N=C(/O)[C@@H]2CCO[C@H]2c2ccnn2C)s1 328625092 KKMDMFAFLDAQOE-ZKYQVNSYSA-N 334.445 3.023 30 50 EGEA Cc1cc(C#N)cc(NC(=O)N2CC[C@H](CN3CCCCC3)C2)c1 455948739 BOZHNHYTQAGWQF-MRXNPFEDSA-N 326.444 3.206 30 50 EGEA N#Cc1ccnc(N2CCC(CO)(Cc3ccccc3Cl)CC2)c1 67673079 YDJSEMMRYCLIDE-UHFFFAOYSA-N 341.842 3.428 30 50 EGEA N#Cc1ccccc1OCC(=O)Nc1ccc(OC(F)(F)F)cc1 98963 YFVXTZQCVIBZTJ-UHFFFAOYSA-N 336.269 3.474 30 50 EGEA Cn1nccc1[C@@H]1OCC[C@H]1C(O)=Nc1nc2c(s1)CCCC2 328619711 GDAZVTIIUOOQAV-QMTHXVAHSA-N 332.429 3.121 30 50 EGEA N#Cc1cc(N(Cc2ccccc2)C[C@@H](O)c2ccsc2)ncn1 253432568 LEWPYUYPBAUHSQ-QGZVFWFLSA-N 336.420 3.150 30 50 EGEA CC(C)[C@H](/N=C(/O)c1ccccn1)C(=O)N1CC(C)(C)[C@@H]1C1CC1 330215208 GWLFMTWLQXVLCL-HOTGVXAUSA-N 329.444 3.058 30 50 EGEA O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](C#CC3(O)CCCCC3)[C@H]2C1 34189869 LGIPMFCHTFFLFR-PRYZLTTQSA-N 346.467 3.273 30 50 EGEA in-vitro N#Cc1cc(NC(=O)NC2([C@H]3CCCCO3)CCC2)c(F)cc1F 880708018 BVLRMMZJIVXAFV-OAHLLOKOSA-N 335.354 3.450 30 50 EGEA COc1ccc(C(=O)/C=C(\C)NCc2ccc3c(c2)OCO3)cc1 17355404 MLKPZWBQRRHAMF-UKTHLTGXSA-N 325.364 3.300 30 50 EGEA N#C[C@H]1CC[C@H](CC(=O)Nc2ccc(NC(=O)C3CCC3)cn2)C1 2325797272 KAQMTPCBXHQSAO-STQMWFEESA-N 326.400 3.089 30 50 EGEA C=CCOc1ccc(C(=O)N2CCC[C@@](CC)(CO)C2)cc1OCC 55154828 NNCMXADQJGEAJB-HXUWFJFHSA-N 347.455 3.275 30 50 EGEA N#Cc1ccccc1-c1nc([C@]2(c3ccc(F)cc3)CCOC2)no1 20866155 IIDYSCHLZQBFNI-LJQANCHMSA-N 335.338 3.454 30 50 EGEA C/C(=N/C1CCCC1)c1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O 101155704 BXOVVGSGFYSJNW-WQRHYEAKSA-N 328.372 3.134 30 50 EGEA Cc1c(C(=O)N(C)C)sc(NC(=O)/C=C/c2cccs2)c1C#N 1000067 LRIJHNFHONPGLH-VOTSOKGWSA-N 345.449 3.343 30 50 EGEA CCOC(=O)Cc1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1 341042478 ICIRVHJWQPCZHC-UHFFFAOYSA-N 326.327 3.055 30 50 EGEA C=C(C)C(C)(C)C(=O)N1CCC(c2ocnc2C(=O)OCC)CC1 1775993146 BHBIUSZKRHLTGJ-UHFFFAOYSA-N 334.416 3.160 30 50 EGEA COc1cc(OC)c(OC)cc1/C=N/NC(=S)Nc1ccccc1 731234 FUYKCLPJJPJJTN-WOJGMQOQSA-N 345.424 3.033 30 50 EGEA COc1ccccc1-c1nnc(S)n1/N=C/c1sccc1C 5982093 FZQULUQLJLMSIL-CXUHLZMHSA-N 330.438 3.495 30 50 EGEA C=CCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Cl 4507437 PSIBCVSLNNLQNT-RVDMUPIBSA-N 330.771 3.006 30 50 EGEA CCn1nc(C)c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1C 332433569 XOPITSLIGYJLAP-UHFFFAOYSA-N 334.423 3.321 30 50 EGEA N#C[C@]1(c2ccccn2)CCCN(C[C@H]2CCC3(CCCC3)O2)C1 852332275 PYCOWNSHBBYIRI-IEBWSBKVSA-N 325.456 3.431 30 50 EGEA CCC(=O)Nc1ccccc1Nc1cc(C#N)c(C#N)cc1[N+](=O)[O-] 4819340 XNRWALKBNUFRBZ-UHFFFAOYSA-N 335.323 3.430 30 50 EGEA CCOc1ccc(N/C(=C/C(=O)c2ccccc2)C(=O)OC)cc1 100704234 QGMPDKRBZAKPBU-GHRIWEEISA-N 325.364 3.437 30 50 EGEA Cc1ccc(/C=N/n2c(SCC#N)nc3ccccc3c2=O)cc1 2802158 WIBVZRJSSHLMBB-UDWIEESQSA-N 334.404 3.203 30 50 EGEA COc1ccc(-c2noc(C3(C#N)CCCC3)n2)nc1Br 952876495 SINRUMCPIAJISZ-UHFFFAOYSA-N 349.188 3.238 30 50 EGEA O=C(Nc1ccc([N+](=O)[O-])c(/N=C(\O)C(F)(F)F)c1)C(F)(F)F 4016753 BAFVJGWLVSGWEX-UHFFFAOYSA-N 345.155 3.246 30 50 EGEA C=C[C@H]1C[N@+]2([O-])CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 256009895 WVDIZKMXQMCCAA-ROCUERRRSA-N 340.423 3.186 30 50 EGEA in-vitro CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cccnc1 101163297 WJPKBMAABYJLFS-KRWDZBQOSA-N 346.386 3.213 30 50 EGEA N#Cc1c(F)cc(Br)cc1I 113802520 AVOJNETXISRKKX-UHFFFAOYSA-N 325.906 3.064 30 50 EGEA Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(CC#N)cc2)n1 105111 DGBFLAGRXWMMMH-UHFFFAOYSA-N 336.420 3.367 30 50 EGEA Cn1nccc1N1CCC[C@H](/N=C(/O)[C@H]2CCCC(F)(F)C2)C1 328586595 IWDYUSDYCMPBIV-STQMWFEESA-N 326.391 3.171 30 50 EGEA C[C@H](Nc1cnc(C#N)cn1)c1noc(-c2ccc(Cl)cc2)n1 126576315 ATVMSWHXLKOOKT-VIFPVBQESA-N 326.747 3.225 30 50 EGEA C=CCn1c(=O)c(CNCC2(O)CCCCC2)cc2cc(C)ccc21 299755907 GAEBJTQNFRSIFG-UHFFFAOYSA-N 340.467 3.281 30 50 EGEA COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C#N)cn1C(C)(C)C 277398563 GSPRBTMJPBAXPH-UHFFFAOYSA-N 342.355 3.284 30 50 EGEA CC1(C)OB(c2ccc3c(cnn3[C@@H]3CCCCO3)c2)OC1(C)C 169905417 GXJMPLXLXKDVGV-INIZCTEOSA-N 328.221 3.035 30 50 EGEA in-vitro Cc1cc(N[C@@H](C)C(=O)NC(C)(C)C)n2c(nc3ccccc32)c1C#N 170605746 XHPFVYRMJBDDIN-ZDUSSCGKSA-N 349.438 3.383 30 50 EGEA CCSc1nc2n(n1)[C@@H](c1cccs1)C1=C(CCCC1=O)N2 4436233 ADVOKHDHHKZQMR-ZDUSSCGKSA-N 332.454 3.474 30 50 EGEA N#Cc1cc2c(nc1N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)CCCC2 223427049 MPOHECKXQRJDHM-GMBSWORKSA-N 334.423 3.151 30 50 EGEA Cc1noc(C2CCN(c3ccc(Br)cc3C#N)CC2)n1 253427314 QCCOLEIARYGCKD-UHFFFAOYSA-N 347.216 3.396 30 50 EGEA CC(C)(C)N(CC#CC(O)(c1ccccc1)c1ccccc1)CCO 2288358 FHUGZXQNMAIUBO-UHFFFAOYSA-N 337.463 3.019 30 50 EGEA CN(C)[C@H](C/N=C(\O)c1cc2ccccc2oc1=O)c1cccs1 28291408 OBXVKCVZDTWGHN-CQSZACIVSA-N 342.420 3.462 30 50 EGEA C=CCOc1cccc(CN(CC)C(=O)c2noc(C)c2COC)c1 55243739 RGLPNAZFHOJZIU-UHFFFAOYSA-N 344.411 3.357 30 50 EGEA Cc1nc(CCN2CCC(Oc3cccc(C#N)c3)CC2)cs1 120683942 NIHGPXLAQFHPDG-UHFFFAOYSA-N 327.453 3.409 30 50 EGEA COc1ccc(OC2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 49706185 INSYDZMDASKKJP-UHFFFAOYSA-N 336.391 3.250 30 50 EGEA N#Cc1cccc(-c2ccc(C(=O)N3CCN4CCC[C@@H]4C3)cc2)c1 426412270 KYNPLQYSMZFYFW-HXUWFJFHSA-N 331.419 3.145 30 50 EGEA C=CCc1cc(CN2C[C@@H]3CC[C@H](C2)N(CCC)C3=O)ccc1OC 91756577 MUDVXQVKUYIVQB-RBUKOAKNSA-N 342.483 3.257 30 50 EGEA N#CC1(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)CCCC1 304218021 CQDFTOSCSGCKTP-KRWDZBQOSA-N 330.403 3.182 30 50 EGEA COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@@H](C#N)C1CC1 194806561 JGFYMQMOPIKNIV-SFHVURJKSA-N 334.375 3.172 30 50 EGEA Cc1ccc(/C(N)=N/OC(=O)c2ccccc2Br)cc1 5112214 VWLSBIULNCKNAM-UHFFFAOYSA-N 333.185 3.235 30 50 EGEA OC(=Nc1cc(Cl)c(Cl)cn1)N1CC[C@H](CN2CCCC2)C1 328594619 ZMMTVESXZMJPAX-LLVKDONJSA-N 343.258 3.352 30 50 EGEA COc1ccc(/C=N/N=C(/S)NCc2ccccc2)cc1OC 8830261 NVAWHTUQPDSZEV-XDHOZWIPSA-N 329.425 3.113 30 50 EGEA Cc1nnc([C@H]2CC23CCN(Cc2ccc(C#N)c(F)c2)CC3)o1 364473238 RBDLNAXWAWOQFZ-OAHLLOKOSA-N 326.375 3.159 30 50 EGEA Cc1c(C#N)c2ncn(Cc3ccccc3)c(=O)c2n1-c1ccccc1 448053 PVIABTJIOOAOEW-UHFFFAOYSA-N 340.386 3.416 30 50 EGEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccccc1O 1270404 MZTUZSFCOSNARK-LICLKQGHSA-N 326.381 3.204 30 50 EGEA C[C@@H]1c2ccc(Cl)n2CCN1C(=O)CC/N=C(/O)OC(C)(C)C 328593385 NXPRDPJEIWNFST-LLVKDONJSA-N 341.839 3.164 30 50 EGEA Cc1ncsc1/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328623117 IWOFNGWGSZWCAG-VIFPVBQESA-N 344.362 3.234 30 50 EGEA O=C(CC1=C(c2ccccc2)CCC1=O)NCc1cccc(CO)c1 828827625 UCJLPDURLALMOV-UHFFFAOYSA-N 335.403 3.002 30 50 EGEA N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CC[C@@H]3C3CC3)CC2)c(F)c1 1875255876 FLWBAWIBPBBPDM-SJLPKXTDSA-N 341.430 3.219 30 50 EGEA COc1cc2c(cc1OC)[C@H]1C/C(=N\O)[C@H](CC(C)C)CN1CC2 169306169 APWMOWABPJKXTE-LOYNYXHRSA-N 332.444 3.499 30 50 EGEA CCc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1 124000 QUYKMFZJFSOBCB-GOSISDBHSA-N 325.408 3.390 30 50 EGEA Cc1ccc(S(=O)(=O)N/N=C2\C[C@H]3C=C[C@H]2c2ccccc23)cc1 102319669 LAOMSHFSMFTKIK-PHNPQXFASA-N 338.432 3.470 30 50 EGEA CC1(C)OB(c2ccc(CO)c(OCc3ccccc3)c2)OC1(C)C 170007544 DIBBWNUHECMPOF-UHFFFAOYSA-N 340.228 3.057 30 50 EGEA N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H]3CCCC[C@H]32)c(F)c1 230110371 URMKIEBJYQEUOK-SWLSCSKDSA-N 340.395 3.180 30 50 EGEA C[C@H](/N=C(/O)c1cc(N(C)C)nc2ccccc12)c1csnn1 328597712 IUUWNXXZBLFDIH-JTQLQIEISA-N 327.413 3.218 30 50 EGEA C/C(O)=N/[C@@H](c1nc(CCc2ccccc2)no1)C1CCOCC1 328636660 VQFABFKPCZUCKF-QGZVFWFLSA-N 329.400 3.299 30 50 EGEA C[C@H](Oc1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1)C(=O)O 375588294 RGFURALZZDEDQD-KWJWQAOWSA-N 342.322 3.336 30 50 EGEA COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O)c1OC 5018579 PSPONZNQSBPSLY-RMKNXTFCSA-N 330.336 3.020 30 50 EGEA COc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1Cl 4756967 OARLWLFAWAQIHQ-UHFFFAOYSA-N 336.800 3.215 30 50 EGEA COC(=O)[C@@H]1C(=O)C=C(OC(=O)c2ccc(Cl)cc2)CC1(C)C 336467 PJZMVHSZMPAZGO-AWEZNQCLSA-N 336.771 3.169 30 50 EGEA CS[C@H]1CCCCN(/C(O)=N/Cc2nnc(C(C)(C)C)s2)C1 328588422 OYPPADCIAOXPDU-NSHDSACASA-N 342.534 3.467 30 50 EGEA Cn1cc(-c2ccccc2C/N=C(/O)NC2Cc3ccccc3C2)cn1 328587403 MRHKAPMDJUPYAA-UHFFFAOYSA-N 346.434 3.258 30 50 EGEA Cc1noc([C@H](/N=C(/O)c2cccc3c2CCC3)C2CCOCC2)n1 328614415 VZFOTQJYHQSIMG-QGZVFWFLSA-N 341.411 3.339 30 50 EGEA N#CCC[C@@H](C#N)CN1CCN(c2cccc(Br)c2)CC1 284723693 JOIJAJDQXUILHX-AWEZNQCLSA-N 347.260 3.015 30 50 EGEA CN(Cc1ccc(C#CC(C)(C)O)s1)C[C@H]1Cc2ccccc2O1 670445999 NZJUMFUOZXKVND-MRXNPFEDSA-N 341.476 3.306 30 50 EGEA CC1(C)OB([C@H]2CCCN(C(=O)c3nccs3)CC2)OC1(C)C 1875370571 UJUKVHGCBCAXDF-LBPRGKRZSA-N 336.266 3.232 30 50 EGEA N#Cc1cc(C(=O)NCCc2csc(-c3ccccc3)n2)ccn1 193487830 LPMQZBHBNWADPT-UHFFFAOYSA-N 334.404 3.049 30 50 EGEA C(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1ccncc1 19773200 WIEWCVDFHPBMMK-XQNSMLJCSA-N 330.435 3.387 30 50 EGEA N#Cc1ccc(Cl)c(C(=O)N2CCC(Cc3ncc[nH]3)CC2)c1 425301109 IMZLBBPTLDDZAN-UHFFFAOYSA-N 328.803 3.030 30 50 EGEA O=C1C(=C(O)CS(=O)(=O)c2ccccc2)Sc2ccccc21 2083176132 BIMOEYKMJUKXSQ-UHFFFAOYSA-N 332.402 3.219 30 50 EGEA COCC1(CNc2ccc(C(F)(F)F)c(C#N)c2)CCNCC1 261928614 SLQRDBFVYYVEAU-UHFFFAOYSA-N 327.350 3.005 30 50 EGEA CCn1cc(CN(C)Cc2cnn(-c3cccc(OC)c3)c2)cc1C#N 72121943 WYJAFNRPHNNBBP-UHFFFAOYSA-N 349.438 3.206 30 50 EGEA C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 175966866 XRNFKGWMVWGYFD-CYBMUJFWSA-N 342.830 3.059 30 50 EGEA C#CCCC1(CCC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)N=N1 952881257 LBEOLLMYWGSLHE-OAHLLOKOSA-N 342.418 3.124 30 50 EGEA CNC(=O)c1ccc(CN(C)Cc2ccc(Cl)cc2C#N)cc1 186519397 GQJGTFYSSVFMHR-UHFFFAOYSA-N 327.815 3.203 30 50 EGEA COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 4871896 SHGKRWWBURZLAO-GORDUTHDSA-N 341.319 3.271 30 50 EGEA CCN(CC)CC#CC[C@@H](C(=O)c1ccccc1)C(=O)C(C)(C)OC 103402332 MBBZGOIEMWMOAS-SFHVURJKSA-N 343.467 3.215 30 50 EGEA C=CCN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 20311755 WSLNMVTVDIPPNG-LBPRGKRZSA-N 343.254 3.091 30 50 EGEA CCc1nc(C/N=C(/O)N2CCCC[C@H]2c2ccnn2C)cs1 328587161 ANIPLSFWPITUFG-AWEZNQCLSA-N 333.461 3.080 30 50 EGEA Cc1noc([C@@H](/N=C(/O)CCc2cccs2)C2CCOCC2)n1 328614753 WWNCBBGVVLCRMD-HNNXBMFYSA-N 335.429 3.497 30 50 EGEA CC(C)CCN1C[C@]2(CCCN(c3ccc(C#N)cn3)C2)CCC1=O 77319115 CZQDKSWTBXMJRM-HXUWFJFHSA-N 340.471 3.208 30 50 EGEA CCOc1ccc(-c2nc(Cn3ccc(C)c(C#N)c3=O)co2)cc1 183279249 BGIYBDMNQUDRSS-UHFFFAOYSA-N 335.363 3.130 30 50 EGEA N#Cc1cc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)ncn1 408514581 XTFCSKYQDFOIIN-LBPRGKRZSA-N 325.441 3.068 30 50 EGEA CCc1nnc(NCc2cc(F)cc3c2OCOC3)c(C#N)c1CC 170662054 YWPSOKJRZUZNBI-UHFFFAOYSA-N 342.374 3.091 30 50 EGEA N#CCCN(CCC#N)C(=O)c1ccc(Cl)cc1Br 130803834 IEPDGSNCJQJQLL-UHFFFAOYSA-N 340.608 3.372 30 50 EGEA C=CCN/C(S)=N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 13555805 ATRBCTXFHAKHQB-LICLKQGHSA-N 330.369 3.250 30 50 EGEA C#CCCC1(CCC(=O)NC[C@H]2CC[C@@H](Oc3ccncc3)C2)N=N1 2325899526 JBJKZHVHNOZGAO-DOTOQJQBSA-N 340.427 3.101 30 50 EGEA COc1ccc(OC)c([C@H]2CCN(C(=O)c3ccc(C#N)cc3)C2)c1 77341891 VGTZLBUNEHNELA-INIZCTEOSA-N 336.391 3.205 30 50 EGEA CC(C)n1cc(S(=O)(=O)N(c2ccccc2C#N)C2CCC2)cn1 888099884 YODXTZCADJWSIO-UHFFFAOYSA-N 344.440 3.083 30 50 EGEA CC(C)CN(CC(C)C)c1ccc(/C=N/n2cnnc2)cc1[N+](=O)[O-] 5074166 OPBUFPQEQSYUAJ-DNTJNYDQSA-N 344.419 3.187 30 50 EGEA C=CCCC(=O)N1CC[C@]2(CCCN(Cc3ccccc3F)C2=O)C1 12031313 NDLBLWINQVUIMH-HXUWFJFHSA-N 344.430 3.133 30 50 EGEA CCOC(=O)c1c(NC(=O)C#Cc2ccccc2)sc2c1CCC2 227450 OQSRTEAJPLICRK-UHFFFAOYSA-N 339.416 3.404 30 50 EGEA C#Cc1cccc(C(=O)N(CCOC)Cc2ccc(OCC)cc2)c1 55228533 AINOWHVSJPTMQI-UHFFFAOYSA-N 337.419 3.355 30 50 EGEA CCn1cc(CN2CCN(c3ccccc3OC)C[C@H]2C)cc1C#N 106946196 VTJQDNQJAXTJON-MRXNPFEDSA-N 338.455 3.099 30 50 EGEA CCc1ncc(-c2c(C#N)c(N)nc3c2CCc2c(O)cccc2-3)cn1 71753347 VYUYEWUCCBGMIE-UHFFFAOYSA-N 343.390 3.026 30 50 EGEA CO/N=C/c1ccc(C(=O)NCc2ccncc2C(F)(F)F)cc1 1875261306 WFEAPVUNISFPFP-GZIVZEMBSA-N 337.301 3.011 30 50 EGEA CCOC(=O)[C@@H](OS(=O)(=O)c1ccc(C)cc1)c1ccccc1 2172783 PULJAZHCGDDGFR-INIZCTEOSA-N 334.393 3.005 30 50 EGEA N#Cc1cccc(CN2CC[C@H](CNC(=O)C3CCCCC3)C2)c1 67787248 QUWDBHLAGIJMTP-GOSISDBHSA-N 325.456 3.077 30 50 EGEA CC1(C)C[C@H](/N=C(/O)c2csc(CN)n2)c2ccc(F)cc2O1 328587970 KQHONLJMUDHDFH-NSHDSACASA-N 335.404 3.348 30 50 EGEA CC(C)c1cc(/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)no1 328618174 DMDCQKOHBLDDOY-YOEHRIQHSA-N 328.416 3.191 30 50 EGEA C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@]1(CO)C[C@@H]1c1ccccc1 1875321635 PIBNSVFQSVKARC-SAWYMBPVSA-N 348.446 3.019 30 50 EGEA CC(C)c1ccc(/C=N/O[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 170642565 NSCDSDSNUOMXCX-NNIWKIFQSA-N 340.427 3.090 30 50 EGEA O=[N+]([O-])c1cccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)c1 5024407 GCDNRXNIYPHICA-UYRXBGFRSA-N 344.802 3.404 30 50 EGEA COc1cc(O)c(C(=O)/C=C/c2ccc(O)c(OC)c2)c(OC)c1 4252579 BXXKRESPUSMTEI-FNORWQNLSA-N 330.336 3.020 30 50 EGEA in-vitro C=CCc1ccccc1OCCn1c(CCNC=O)nc2ccccc21 4810418 LCOZHTYEEADREU-UHFFFAOYSA-N 349.434 3.132 30 50 EGEA Cc1cccnc1[C@@H](NC(=O)c1cccc(C#CC(C)(C)O)c1)C1CC1 65533391 AWPHNBOIHYPXRZ-FQEVSTJZSA-N 348.446 3.394 30 50 EGEA O=C(O)CCC/C=C1\C[C@H]2C[C@H](O)[C@H](C#CC3(O)CCCCC3)[C@H]2C1 64858021 LGIPMFCHTFFLFR-JGWFDFFLSA-N 346.467 3.273 30 50 EGEA in-vitro N#Cc1ccc(CCC(=O)N2CCC[C@@]2(CO)Cc2ccccc2)cc1 365112917 WIVTZAAGJULCSL-QFIPXVFZSA-N 348.446 3.087 30 50 EGEA Cc1noc([C@@H](/N=C(/O)Cc2ccccc2C)C2CCOCC2)n1 328610447 HXETUFZALGCFPF-KRWDZBQOSA-N 329.400 3.353 30 50 EGEA Cc1cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)nn1[C@@H](C)C1CC1 329950512 MJPULILJEPMJPW-BTYIYWSLSA-N 348.450 3.344 30 50 EGEA N#Cc1cc(C(=O)NC[C@H]2CCCN(c3ccccc3)C2)ccc1F 375145884 DKENDBYWHHZYRV-OAHLLOKOSA-N 337.398 3.344 30 50 EGEA C=C[C@@](C)(CC)C(=O)N1CCC(n2cc(Br)cn2)CC1 241466027 NUAMUEDJMFLNGM-HNNXBMFYSA-N 340.265 3.411 30 50 EGEA CN([C@](C)(C#N)C1CC1)S(=O)(=O)c1ccc(CC(F)(F)F)cc1 194814224 QXIJYBDOBQDERG-CQSZACIVSA-N 346.374 3.104 30 50 EGEA CC#CC(=O)N1CCC[C@@H](C(=O)c2ccc3cc(OC)ccc3c2)C1 14974624 NFYGMBNGSSIADT-GOSISDBHSA-N 335.403 3.293 30 50 EGEA C/C(=N\S(=O)(=O)c1ccc(C)cc1)N/C(S)=N\c1ccccc1 17729147 LWZIJQFTNZJZDM-UHFFFAOYSA-N 347.465 3.309 30 50 EGEA N#Cc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)cc1 169755522 WTYAOWLJIXEJQM-UHFFFAOYSA-N 343.390 3.405 30 50 EGEA COc1ccc(OC)c([C@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)c1 1422959 XKHONPFXXNRICD-CYBMUJFWSA-N 330.380 3.378 30 50 EGEA N#CCCn1cc(C(=O)NCc2ccccc2)c(-c2ccccc2)n1 3355987 FTJMZPMBOJTPSL-UHFFFAOYSA-N 330.391 3.394 30 50 EGEA C=CCn1ncc(CN(CCN(C)C)Cc2ccccc2C)c1C 55393342 FQIJTLOLCFLROQ-UHFFFAOYSA-N 326.488 3.250 30 50 EGEA CCCOC(=O)N1CCC[C@]2(CCN(Cc3cccc(C#N)c3)C2)C1 67714350 IKMCSNVJJHHAQV-HXUWFJFHSA-N 341.455 3.393 30 50 EGEA C[C@@H]1CCCN1C1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 154891045 ZEDMXKQXYURBAT-GFCCVEGCSA-N 338.377 3.425 30 50 EGEA N#Cc1ccccc1CN1CCOC[C@H]1c1nnc(-c2ccccc2)o1 367541265 SQDLPKLGIXJLOJ-SFHVURJKSA-N 346.390 3.182 30 50 EGEA Cc1nccn1C[C@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 77337921 WFSWWUVKDPYAGA-MRXNPFEDSA-N 335.455 3.254 30 50 EGEA C[C@@H](CC(F)F)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1875260172 JYPNSSRJYVUFLQ-NSHDSACASA-N 339.361 3.074 30 50 EGEA Fc1cccc(Cl)c1/C=N/n1c(S)nnc1-c1cccnc1 1296322 QINWBRXKHDWPDA-QGMBQPNBSA-N 333.779 3.304 30 50 EGEA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 364926326 ZLQIYHHHQQYNMI-ZDUSSCGKSA-N 343.818 3.277 30 50 EGEA N#Cc1ccc([C@H](NCC(F)(F)c2ccc(Cl)cc2)C(N)=O)cc1 390834698 QYQDCSRKPWNRRL-HNNXBMFYSA-N 349.768 3.120 30 50 EGEA Cc1c(C#N)c(=O)oc2c(Br)cc(Br)cc12 58018 GSOMUTAKSGLHCF-UHFFFAOYSA-N 342.974 3.498 30 50 EGEA biogenic Cn1cc(CN2CCC([C@H](O)CCc3ccccc3)CC2)cc1C#N 72435592 SMFBMJGGWWSCPU-OAQYLSRUSA-N 337.467 3.102 30 50 EGEA C=CCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)SC1=S 1175706 IZBSLWKYENHXIH-YRNVUSSQSA-N 341.841 3.441 30 50 EGEA Cc1ccc(C(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)cc1Cl 4690203 IFOSHYZOFPHWSS-UHFFFAOYSA-N 333.731 3.034 30 50 EGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(F)c1 4719746 DYURMMHZFXOREN-KRWDZBQOSA-N 329.371 3.357 30 50 EGEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/C(O)=N/Cc1ccc(F)cc1 328613643 SYGQKTADNPAWLC-RDJZCZTQSA-N 331.391 3.410 30 50 EGEA COc1ccc(-c2cc(-c3cc(C(C)(C)C)[nH]n3)c(C#N)c(N)n2)cn1 71754572 OZEHSCFGOXSRFZ-UHFFFAOYSA-N 348.410 3.294 30 50 EGEA N#Cc1c(-c2cccc(-n3cccn3)c2)cc(-c2cc[nH]c2)nc1N 71614010 OWLCIFHRBQSPFU-UHFFFAOYSA-N 326.363 3.383 30 50 EGEA CN(C)/C=N/C(=O)c1cc(C(=O)c2ccc(C(C)(C)C)cc2)c[nH]1 17918521 JMXVXXYHXWIOOS-CIAFOILYSA-N 325.412 3.273 30 50 EGEA COC(=O)c1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1 1240549 XRPNKWQGSGJMPO-WOJGMQOQSA-N 338.392 3.276 30 50 EGEA C/C(=N\N1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 19893910 POPQCWHICGMKLR-CAPFRKAQSA-N 338.411 3.137 30 50 EGEA C=CCn1nc(C(=O)O)c2c1CC[C@H](N1CCC(CC)(CC)C1)C2 67850941 JFEUJSCUDVJYJM-AWEZNQCLSA-N 331.460 3.137 30 50 EGEA C#CC[C@@H](OC(=O)CN(C)C(=O)OCc1ccccc1)C(C)(C)C 252480307 BZOZCSGWKMTOOW-MRXNPFEDSA-N 331.412 3.236 30 50 EGEA C[C@@H](NC(=O)c1cc(F)cc(C#N)c1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 826768245 PANVTSUZCMOVBW-QYJOXAENSA-N 342.414 3.147 30 50 EGEA CO[C@H](c1ccc(F)cc1)[C@H](C)Nc1ncc([N+](=O)[O-])cc1C#N 271376598 QKFKTRWFCPHLNB-BONVTDFDSA-N 330.319 3.189 30 50 EGEA CC(C)(C)OC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 169747264 OOORQXGLIKPNDK-UHFFFAOYSA-N 345.248 3.283 30 50 EGEA in-vitro CC1(C)CCCN(S(=O)(=O)c2ccc(F)cc2Cl)[C@@H]1C#N 277449383 GHEYGGCXNXZZMA-CYBMUJFWSA-N 330.812 3.182 30 50 EGEA C#CCN(CC1CC1)C(=O)c1cn(CC)c2ccc(Cl)cc2c1=O 195562358 POIMNHQGLPZOLA-UHFFFAOYSA-N 342.826 3.160 30 50 EGEA CC(C)(C)OC(=O)n1ccc2c(B3OC(C)(C)C(C)(C)O3)ccnc21 203897168 GHDNLFGEJLLKEC-UHFFFAOYSA-N 344.220 3.119 30 50 EGEA in-vitro N#C[C@]1(c2ccccn2)CCCN(C[C@@H]2CCC3(CCCC3)O2)C1 852332277 PYCOWNSHBBYIRI-PKOBYXMFSA-N 325.456 3.431 30 50 EGEA COc1ccc(OC)c(NC(=O)Cn2cc(C#N)c3ccccc32)c1 2876789 PYBPYWDWNADOLD-UHFFFAOYSA-N 335.363 3.169 30 50 EGEA C=CCc1cc(OC)ccc1OCCN1CCC(C(=O)OCC)CC1 6702193 JTBWOLBWEDGPRS-UHFFFAOYSA-N 347.455 3.078 30 50 EGEA C=C(C)COc1ccccc1C(=O)N[C@H]1C(=O)Nc2cccc(C)c21 55198410 BIHLBPAIPWWBIP-GOSISDBHSA-N 336.391 3.373 30 50 EGEA N#Cc1cccc(N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)n1 77488765 HSWMTBCUVHJQMY-HXUWFJFHSA-N 338.455 3.105 30 50 EGEA C=CCn1c(SCc2cnn(C)c2)nnc1-c1ccccc1C 177795328 PBSSPNWUVDKIIU-UHFFFAOYSA-N 325.441 3.465 30 50 EGEA C#CCCC1(CCC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)N=N1 952882614 SWVCCEVFDHBVQR-INIZCTEOSA-N 346.862 3.415 30 50 EGEA Cc1c(/N=C/c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C 61141 MIOPZSFSXPQPAW-KGENOOAVSA-N 334.423 3.301 30 50 EGEA COc1cc(/C=N\n2c(C)nnc2C)ccc1OCc1ccccc1 5033809 NTVAEUSNLIFXPI-NDENLUEZSA-N 336.395 3.365 30 50 EGEA C[C@@H]1C[C@H]1c1nc(C#N)c(N2CCN(c3ccccc3F)CC2)o1 1775965146 GJCGXVGPTJERKT-CHWSQXEVSA-N 326.375 3.135 30 50 EGEA C[C@H](N/C(O)=N/C[C@H]1CCCN1C1CCCCC1)C1CCOCC1 328587719 GEIMRYCZDPOFQC-MAUKXSAKSA-N 337.508 3.102 30 50 EGEA CN1[C@H]2CCC[C@@H]1C[C@@H](NC1CCC(C#N)(c3ccccn3)CC1)C2 2325778006 WOXLMFRCHQVJML-NFJCTOKBSA-N 338.499 3.390 30 50 EGEA C#CCCC1(CCC(=O)Nc2cccc(Nc3cnn(C)c3)c2)N=N1 2325892358 KWHPRFRSDATYTC-UHFFFAOYSA-N 336.399 3.458 30 50 EGEA COc1ccccc1C(=O)ON1C(=O)c2cccc3cccc(c23)C1=O 620274 DAYNBSWZBICCIC-UHFFFAOYSA-N 347.326 3.216 30 50 EGEA COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc([N+](=O)[O-])cc1 4829035 QQPJYGZVDMLJGA-UHFFFAOYSA-N 332.699 3.348 30 50 EGEA C=CCN(Cc1cccc(OCC(N)=O)c1)Cc1ccc(C)s1 55108551 LWVUHEBIMDMORB-UHFFFAOYSA-N 330.453 3.109 30 50 EGEA Cc1nc(CCN(C)c2oc(-c3ccc(Cl)cc3)nc2C#N)no1 227156242 HKJJWLMEBGXPCS-UHFFFAOYSA-N 343.774 3.237 30 50 EGEA COc1ccsc1S(=O)(=O)Nc1cc(C#N)ccc1NC1CC1 193353912 ZDGRPEBNBMSKGA-UHFFFAOYSA-N 349.437 3.003 30 50 EGEA CCOc1ccccc1N/C(O)=N/S(=O)(=O)c1ccc(C)cc1 205664 UUIQVKLKKMXJLU-UHFFFAOYSA-N 334.397 3.109 30 50 EGEA C[C@](OS(C)(=O)=O)(c1ccc(Br)cc1)C(F)(F)F 114001165 DOIIWOSCJOIGLQ-VIFPVBQESA-N 347.152 3.203 30 50 EGEA in-vitro O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)cc1 5589089 XBKUZWMHEIFYTR-LREOWRDNSA-N 337.375 3.148 30 50 EGEA N/C(=N\OC(=O)C1CCCCC1)c1ccc(Br)cc1 4191627 GALDAVQKPRIRIY-UHFFFAOYSA-N 325.206 3.193 30 50 EGEA CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccsc2)C1=O 136009546 VYNUVKVGKNGZGH-INIZCTEOSA-N 337.445 3.064 30 50 EGEA N#Cc1ccccc1CN1CCC[C@@H](CNC(=O)C2CCCCC2)C1 67880296 QZZKLCIFIGENMP-KRWDZBQOSA-N 339.483 3.467 30 50 EGEA Cc1ccccc1C[C@H](C)N(C)S(=O)(=O)c1cc(C#N)ccc1C 445065183 KLDLVKQMNGVKLP-INIZCTEOSA-N 342.464 3.427 30 50 EGEA CCOc1cccc(COC(=O)/C=C/c2ccc(OCC#N)cc2)n1 129107773 YVQMOOYRKHYJTQ-DHZHZOJOSA-N 338.363 3.139 30 50 EGEA CC1(C)CCCN(C(=O)c2ccc(OC3CCOCC3)cc2)[C@H]1C#N 277751920 CEJKHDZIOYEXKX-SFHVURJKSA-N 342.439 3.399 30 50 EGEA C#CCCC1(CCC(=O)Nc2ncc(C[C@H]3CCCO3)s2)N=N1 2325891944 LWBCGYKVWFWDHR-GFCCVEGCSA-N 332.429 3.159 30 50 EGEA C#CC[C@H](OC(=O)CN(C)C(=O)OCc1ccccc1)C(C)(C)C 252480306 BZOZCSGWKMTOOW-INIZCTEOSA-N 331.412 3.236 30 50 EGEA C[C@@H]1COCCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 373063663 OWINZRKAYRWTBX-HNNXBMFYSA-N 325.412 3.054 30 50 EGEA CN1C(=O)[C@@]2(CCCN(Cc3ccccc3C#N)C2)c2ccccc21 72133163 MOWMCFZHWOOTAK-OAQYLSRUSA-N 331.419 3.068 30 50 EGEA COc1ccc(-c2nnc(S)n2N=Cc2sccc2C)cc1 239046349 FOQNPVOBKUGBEX-UHFFFAOYSA-N 330.438 3.495 30 50 EGEA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)cc1 299756433 DZYKRKAMTLFPKF-LJQANCHMSA-N 336.439 3.315 30 50 EGEA N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H]1c1ccc(N)nn1 886086280 SHXWULDSOFUBHP-AWEZNQCLSA-N 333.317 3.291 30 50 EGEA CC#CC(=O)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 408515930 RNVOYNSCHXIBNC-INIZCTEOSA-N 343.224 3.267 30 50 EGEA CCn1c(C)cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2OC)c1C 193470570 CYESIGSWPGZWKC-HNNXBMFYSA-N 339.395 3.095 30 50 EGEA CC#CC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1 12438954 QDRWVXCSSKTZHC-QGZVFWFLSA-N 337.423 3.034 30 50 EGEA Cc1cc(O)c(C(=O)/C=C/c2ccccc2Br)c(=O)o1 13125098 ZIJPAMQADXGOFI-VOTSOKGWSA-N 335.153 3.312 30 50 EGEA C=C(C)COc1ccc(C(=O)NC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 101387099 YALFCCWDXFQCPY-AJHHTPGJSA-N 341.451 3.455 30 50 EGEA N#C[C@H]1CCCN(C(=O)c2cc(-c3cn[nH]c3)nc3cc(F)ccc23)C1 20780408 NZGHFQCOKPFPIQ-GFCCVEGCSA-N 349.369 3.140 30 50 EGEA Cc1c(C#N)c(NCc2nnc([C@H]3CCCOC3)o2)nc2ccccc12 1775959435 WNETYIQOORHGDC-ZDUSSCGKSA-N 349.394 3.304 30 50 EGEA N#Cc1ccccc1C(C(N)=O)(c1ccccc1)c1ccccc1C#N 4020842 RWBNJQJJVOUXCG-UHFFFAOYSA-N 337.382 3.250 30 50 EGEA CN(c1oc(-c2ccccc2)nc1C#N)S(=O)(=O)c1ccccc1 1857799307 WBHYDELXALKYSM-UHFFFAOYSA-N 339.376 3.038 30 50 EGEA C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1c(Cl)cccc1Cl 4845053 VXTVHVQJKBZUEW-CYBMUJFWSA-N 341.194 3.351 30 50 EGEA C=CCOc1ccccc1[C@@H]1CC(=O)NCc2nc3cc(C)ccn3c21 65371797 BWHVQOYEQRMYPF-INIZCTEOSA-N 347.418 3.359 30 50 EGEA O/C(=N\C1(C/N=C(/O)[C@@H]2CCCOCC2)CC1)[C@@H]1CCCOCC1 330215170 GTVAXLMDZRTGBH-HUUCEWRRSA-N 338.448 3.065 30 50 EGEA O=[N+]([O-])c1ccc(C=Nn2c(S)nnc2C2CCCCC2)cc1 244719162 LYBNVDYAZKAESB-UHFFFAOYSA-N 331.401 3.405 30 50 EGEA N/C(=N\OC(=O)C(c1ccccc1)c1ccccc1)c1ccncc1 13634331 LYTULKVDLGKOFS-UHFFFAOYSA-N 331.375 3.077 30 50 EGEA COC(=O)C[C@H]1CC[C@H](CNC(=O)c2c(C)cc(C#N)cc2C)CC1 2325792947 XOLODCQAKLOVOH-WKILWMFISA-N 342.439 3.274 30 50 EGEA CC(C)c1cc(N2CCN(C)CC2)n2c(nc3ccccc32)c1C#N 544554 RWUBBAHKXTZYGC-UHFFFAOYSA-N 333.439 3.234 30 50 EGEA OCCN(C(O)=Nc1cccc(C(F)(F)F)c1)C1CCSCC1 331258913 GKGVISFJHUDMHR-UHFFFAOYSA-N 348.390 3.441 30 50 EGEA N#Cc1sc(N2CCc3cc(N4CCCC4=O)ccc32)nc1Cl 1875392221 BYZHVWXDHKCAIE-UHFFFAOYSA-N 344.827 3.489 30 50 EGEA CO[C@](F)(C(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F 3672552 ZVXXVBLYLXPRQP-SECBINFHSA-N 335.175 3.398 30 50 EGEA O=C(CC1CCCC1)N1CCCN(/C(O)=N/Cc2cccs2)CC1 329270481 HDSHECUWKAGMNO-UHFFFAOYSA-N 349.500 3.277 30 50 EGEA CN1CCN(c2nc(-c3ccc(C#N)cc3)cc(C(C)(C)C)n2)CC1 826782594 CDZZTFCAIIPSOO-UHFFFAOYSA-N 335.455 3.065 30 50 EGEA C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCc2cc(O)ccc2[C@@H]1C 1875274747 XVQWFYYMWIBRRE-KBPBESRZSA-N 336.391 3.177 30 50 EGEA Cc1c(O)ccc(/C=N/Nc2nnc(Cl)c3ccccc23)c1O 4481872 CMMAINNXPWKUSM-QGMBQPNBSA-N 328.759 3.449 30 50 EGEA C[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccc(F)cc1F 348009351 YSXSOAOURXBANA-IUODEOHRSA-N 339.345 3.396 30 50 EGEA C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 331645244 VNSQMSSXTBTINC-ZJOUEHCJSA-N 340.467 3.423 30 50 EGEA CC1(C)C[C@H](/N=C(/O)c2nc(F)ccc2Br)CCO1 328592875 XFJYSVBTRPBLHL-MRVPVSSYSA-N 331.185 3.245 30 50 EGEA OC(=Nc1cccc(O)c1F)[C@H](c1ccccc1)N1CCC(O)CC1 328587204 HIVBJFGQGVJKTI-SFHVURJKSA-N 344.386 3.317 30 50 EGEA N#Cc1cc2c(nc1N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)CCCC2 220639502 MPOHECKXQRJDHM-IDHHARJASA-N 334.423 3.151 30 50 EGEA O=C1C[C@@H](c2ccc(F)c(Br)c2)C2=C(CCCC2=O)N1 4035135 MTZZTRDCNCCHMR-VIFPVBQESA-N 338.176 3.199 30 50 EGEA CCc1nc(C)c(-c2cc(-c3ccc(OC)cc3)nc(N)c2C#N)[nH]1 67743699 LEFUWFSPRZSIDH-UHFFFAOYSA-N 333.395 3.472 30 50 EGEA CCc1cc(C#N)ccc1NC(=O)N(CCOC)Cc1ccccn1 299759101 NNLBIYLTZLLFNO-UHFFFAOYSA-N 338.411 3.196 30 50 EGEA CCOC(=O)[C@@H](C#N)[C@]1(c2ccccc2OC)CCOC(C)(C)C1 206899 JKYAQPBLKAVSMJ-DNVCBOLYSA-N 331.412 3.225 30 50 EGEA COc1cc([N+](=O)[O-])ccc1/N=C(\S)Nc1cccc(C(=O)O)c1 8682667 LJDKPOKHBKDGAF-UHFFFAOYSA-N 347.352 3.331 30 50 EGEA CC(C)(O)C#Cc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1 67783881 NRQGQMNGOJBRBD-UHFFFAOYSA-N 346.430 3.263 30 50 EGEA C=CCc1ccc(OC[C@H](O)CN2[C@@H](C)CCC[C@@H]2C)c(OC)c1 11852188 BUXZZUGYOMPIKM-XYJFISCASA-N 333.472 3.426 30 50 EGEA C[C@@H]1CCC[C@@H](C)N1C/C(N)=N/OCc1noc(C2CCCCC2)n1 253428333 JDGZXYJNUOIAQT-ZIAGYGMSSA-N 349.479 3.169 30 50 EGEA CCc1cc(C(=O)N[C@@]2(C#N)CC2(C)C)c2c(C(C)C)noc2n1 362173988 RJRHUGMGLWYNIW-GOSISDBHSA-N 326.400 3.331 30 50 EGEA Cc1c(N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cnn1C1CCCC1 194630953 HODNAVKAKGVBBH-GOSISDBHSA-N 349.438 3.396 30 50 EGEA Cc1ccc2c(c1)[C@](O)(CC(=O)/C=C/C=C/c1ccccc1)C(=O)N2 4029725 OIXSHZJIDWYQQO-FRTMFBJGSA-N 333.387 3.364 30 50 EGEA biogenic CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc2c(c1)OCO2 2462592 QSSRFIRPIYTBRR-KRWDZBQOSA-N 345.395 3.280 30 50 EGEA C=CCN1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1 20160908 HRYAZUGJEQWFIO-UHFFFAOYSA-N 336.435 3.063 30 50 EGEA CCC/C(=N\OCC)[C@@H]1C(=O)CC(C)(C)[C@H](c2cc(C)no2)C1=O 102909758 PRMMBWKGPFIKKP-VTLGGBRFSA-N 334.416 3.444 30 50 EGEA N#Cc1ccc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1 3883618 HKXQPGWUQBZUIK-UHFFFAOYSA-N 349.236 3.021 30 50 EGEA N#Cc1cccc([C@@H]2CN(C(=O)c3ccccc3OC3CC3)CCO2)c1 376995419 XZGAPFZWCGAIKT-FQEVSTJZSA-N 348.402 3.313 30 50 EGEA COc1ccccc1OC1CCN(C(=O)c2cccc(C#N)c2)CC1 77459651 JYLYVSVNLCPHCH-UHFFFAOYSA-N 336.391 3.250 30 50 EGEA CC1(C)[C@H]2CC[C@@]13O[C@H]3C[C@H]1[C@@H](OCCO)CCC[C@@]1(C)C(=O)C2 71786552 PPBXUWWTMQYOIT-SWXUPSNXSA-N 336.472 3.107 30 50 EGEA N#Cc1ccccc1CN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2 95357037 GNPZZDIGNSJZHT-HXUWFJFHSA-N 345.446 3.197 30 50 EGEA C[C@]12CC[C@@H]3[C@H](CC[C@]45O[C@@H]4OC(=O)CC[C@]35C)[C@@H]1CC[C@@]2(C)O 257356187 GRVLFUXZSFWPQB-VBXJRAJLSA-N 334.456 3.412 30 50 EGEA Cc1cc(/C=C/C(=O)c2cc(C(=O)O)ccc2OC(C)C)nn1C 864086169 CIXJIAYLQNEOPZ-VOTSOKGWSA-N 328.368 3.110 30 50 EGEA C#CCCC1(CCC(=O)N2C[C@H](N3CCCC3)C[C@H]2C(C)C)N=N1 1875381872 KAJXECKGUUHKRK-SJORKVTESA-N 330.476 3.063 30 50 EGEA C#CCCC1(CCNC(=O)c2cnoc2-c2ccc(C)s2)N=N1 1875382409 ZUAKOYARMWCSPW-UHFFFAOYSA-N 328.397 3.407 30 50 EGEA COc1ccc(C(=O)/C=C\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2325809673 WEOFQOUUJUGQHP-HJWRWDBZSA-N 343.295 3.320 30 50 EGEA C#CCCC1(CCNC(=O)c2ccc(OC)cc2OCC2CC2)N=N1 2325891032 MGPNWBYYLGZOTL-UHFFFAOYSA-N 341.411 3.179 30 50 EGEA C[C@](O)(CNC(=O)N[C@H](CCC#N)c1ccccc1)c1ccsc1 151303496 DZPOHZVFPNTFOO-AEFFLSMTSA-N 343.452 3.300 30 50 EGEA C=CCN(C)c1ccc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)cn1 67714451 NHQNXHPBZCWMDI-KRWDZBQOSA-N 343.471 3.171 30 50 EGEA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)c2ccc(C#N)cc2)CC1 328653863 XAWURWVEFXDUHO-FQEVSTJZSA-N 348.450 3.080 30 50 EGEA CCCN1CCc2nc(N)c(C#N)c(-c3ccc(N(C)C)cc3)c2C1 71754530 HJAHSMYCTSPPPH-UHFFFAOYSA-N 335.455 3.037 30 50 EGEA N#Cc1cnc(N2CC[C@H](n3cnc4c3CCCC4)C2)c(Cl)c1 299739593 QLWPWMKTKCUUHS-ZDUSSCGKSA-N 327.819 3.133 30 50 EGEA COc1cc(C)c(Br)cc1NC(=O)N(C)CCC#N 184594394 LKJNZBURHTWZJX-UHFFFAOYSA-N 326.194 3.144 30 50 EGEA CC(C)n1cc([C@H]2OCC[C@@H]2NCc2cccc(C#N)c2F)cn1 886095329 RYXCBNZWPUQGEN-FUHWJXTLSA-N 328.391 3.095 30 50 EGEA CC(C)n1cc([C@H]2OCC[C@@H]2NCc2ccc(C#N)c(F)c2)cn1 888076096 YEWDHPRVMLBMSE-ZWKOTPCHSA-N 328.391 3.095 30 50 EGEA C=CCOc1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1 12343924 HCXBSGAFIDLGRE-UHFFFAOYSA-N 338.407 3.340 30 50 EGEA C=CCN(CC#Cc1ccccc1)Cc1cccn1-c1ncccn1 55393089 IKHXJQBBFJVGLX-UHFFFAOYSA-N 328.419 3.307 30 50 EGEA C=CCn1cc(CNCCc2csc(-c3cccnc3)n2)c(C)n1 55341615 VGGITRJYRGTZBQ-UHFFFAOYSA-N 339.468 3.228 30 50 EGEA CCN(/C=C1\C(=O)C(C)(C)Oc2ccc3ccc(=O)oc3c21)CC 30734292 BTEOQJVIAZIIEP-QBFSEMIESA-N 327.380 3.216 30 50 EGEA CC1(C)OB(c2cc(Br)c(F)c(F)c2F)OC1(C)C 169807021 MZKXPDQZXAYMAC-UHFFFAOYSA-N 336.944 3.166 30 50 EGEA in-vitro CCn1c(Cn2cc(C#N)c(=O)c3ccccc32)nc2c(F)cccc21 170617977 VDDRIELLLDBSHE-UHFFFAOYSA-N 346.365 3.430 30 50 EGEA CN1[C@H]2CC[C@H]1CC([C@H](NC(=O)CC#N)c1ccc(Cl)cc1)C2 374900341 HBRCTJOOCXOJKX-XYJFISCASA-N 331.847 3.284 30 50 EGEA Cc1nnc([C@H]2COCCN2C(O)=Nc2csc3ccccc23)o1 328616384 BNTPTCKGDSPZIQ-CYBMUJFWSA-N 344.396 3.212 30 50 EGEA C[C@H](/N=C(/O)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2)c1ncon1 328602892 DBBNQXQJFXLVOC-ZSZQSSIHSA-N 340.427 3.389 30 50 EGEA C[C@@H](C(O)=Nc1cccc2ncccc12)N1CCOCC2(CC2)C1 329284600 GEDYWFJOLLWAJH-AWEZNQCLSA-N 325.412 3.324 30 50 EGEA CCn1c(NC(=O)[C@H]2C[C@@H](C(C)=O)C2(C)C)nc2cc(C#N)ccc21 157054378 NFUIYXRDULFMFE-UONOGXRCSA-N 338.411 3.118 30 50 EGEA CCCn1ncc(C(=O)N2CCC(c3cccc(C#N)c3)CC2)c1C 91503787 KTRGEOPPFROALI-UHFFFAOYSA-N 336.439 3.493 30 50 EGEA Cc1nc(-c2ccccc2)oc1C(=O)[C@H](C#N)C(=O)Nc1ccccn1 181432474 IGGJNBBFAJIZDL-AWEZNQCLSA-N 346.346 3.006 30 50 EGEA C#CCCC1(CCC(=O)Nc2cccc3c2OCC[C@H]3OC)N=N1 952879915 CDFKJFLPOQEWAY-OAHLLOKOSA-N 327.384 3.451 30 50 EGEA C#C[C@H](Cc1ccc(F)cc1F)N(C)C(=O)c1c[nH]c2ncccc12 1875391543 ZGZZZQNQHXIWSJ-CQSZACIVSA-N 339.345 3.158 30 50 EGEA C#CCOc1ccccc1NC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 188133522 KJBWMRPYWURXRY-WBVHZDCISA-N 338.411 3.010 30 50 EGEA N#Cc1cc2c(nc1N1CCC(c3ccnc(O)c3)CC1)CCCC2 1772819833 VCIMLCZIGXSMPU-UHFFFAOYSA-N 334.423 3.317 30 50 EGEA Cn1cccc1/C=C1\SC(Nc2ccccc2)=C(C(=O)O)C1=O 2080317874 CQFXIRNMQQDYAZ-RAXLEYEMSA-N 326.377 3.090 30 50 EGEA COC(=O)Cn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 444027 POVCXULCRWKQMI-UHFFFAOYSA-N 345.354 3.277 30 50 EGEA C=CCN1C(=O)[C@@]2(NCCc3c2[nH]c2ccc(F)cc32)c2ccccc21 20064209 PCFMPFDVGZSEFI-OAQYLSRUSA-N 347.393 3.229 30 50 EGEA biogenic Cn1ncc(-c2cc(-c3cccc(O)c3)nc(N)c2C#N)c1C1CC1 67974905 PYTIWPOPYKMMED-UHFFFAOYSA-N 331.379 3.186 30 50 EGEA COc1cc(OC)c(N=C(O)N2CCCCO2)cc1Br 328589644 LJXDNNWZIYJKEM-UHFFFAOYSA-N 345.193 3.039 30 50 EGEA CCn1ccnc(N2CCC(/N=C(/O)CC3=CCCCC3)CC2)c1=O 328647130 TTXKGMIRBVDVDE-UHFFFAOYSA-N 344.459 3.079 30 50 EGEA CCCN(CCC)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 218898792 BXVJEOQXHZUQCB-UHFFFAOYSA-N 331.265 3.248 30 50 EGEA C=CCN1C(=O)/C(=C/c2ccc(OC)c(OC(C)=O)c2)SC1=S 15016518 BVLXSOPCIIIKQG-ZROIWOOFSA-N 349.433 3.008 30 50 EGEA CC[C@H]1CN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)C[C@@H](C)O1 111026901 SUOXEDWXAZCRQT-YPMHNXCESA-N 345.468 3.192 30 50 EGEA C=CCN1C(=O)/C(=C\c2coc3ccccc3c2=O)SC1=S 4917270 SYUXARPVCFNXSU-MDWZMJQESA-N 329.402 3.180 30 50 EGEA Cc1ccccc1CC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C#N 6727018 HBXGAFUYXOKDEA-UHFFFAOYSA-N 341.436 3.120 30 50 EGEA COCCOc1ccc(CC(=O)N[C@@H](CC#N)c2ccccc2)cc1 408514732 ZZGJMAZIKNTNKT-IBGZPJMESA-N 338.407 3.025 30 50 EGEA O=[N+]([O-])c1ccccc1/C=N/n1c(-c2ccccc2)n[nH]c1=S 13111802 RUSPVQCGHLYGOS-MHWRWJLKSA-N 325.353 3.398 30 50 EGEA CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 19315064 FNXLZWXKBJJXEO-GOSISDBHSA-N 341.407 3.312 30 50 EGEA Cc1ccc(O[C@H](C)CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1 1669511826 GHACUPBNHRVRHS-BEFAXECRSA-N 349.434 3.101 30 50 EGEA C=CCn1cc(CN2CCC[C@H](c3nc(C(C)C)no3)C2)c(C)n1 55404223 YHACWPIZYIEDRK-HNNXBMFYSA-N 329.448 3.264 30 50 EGEA C[C@H](C(O)=Nc1cccc2ncccc12)N1CCOCC2(CC2)C1 329284842 GEDYWFJOLLWAJH-CQSZACIVSA-N 325.412 3.324 30 50 EGEA C=CCC[C@@H](CN(C)Cc1ccoc1)Oc1ccnc(OC)c1C#N 72434651 QGESXQCHQYIYBU-INIZCTEOSA-N 341.411 3.400 30 50 EGEA CC[C@]1(CO)CCCN(C(O)=Nc2csc(-c3ccccn3)n2)C1 330251569 NQHOVZSPXNEBRL-KRWDZBQOSA-N 346.456 3.235 30 50 EGEA Cc1cc(Cl)c2ncc(C#N)c(N3CCO[C@@]4(CCOC4)C3)c2c1 242263298 XXTBOSMVTDEKEI-SFHVURJKSA-N 343.814 3.064 30 50 EGEA C=CCN(Cc1ccccc1C)S(=O)(=O)N(C)Cc1ccccc1 952961092 JLIRFNLUEDNHMC-UHFFFAOYSA-N 344.480 3.360 30 50 EGEA C[C@H](Sc1nc(N)c(C#N)cc1C#N)c1noc(-c2ccccc2)n1 170615479 JLJPBNVOCKSKGU-JTQLQIEISA-N 348.391 3.310 30 50 EGEA N#C[C@H](C(=O)c1noc2c1CCCCC2)c1cnc2ccccc2n1 190944524 LLYJFRWBBDVSCJ-ZDUSSCGKSA-N 332.363 3.377 30 50 EGEA CCc1ccc(/N=C2\N=C(O)C[C@H](C(=O)Nc3ccccc3)N2)cc1 528213 ZSCQPJRVOGHKQX-MRXNPFEDSA-N 336.395 3.194 30 50 EGEA C#CCCC1(CC(=O)NCCc2ccccc2Br)N=N1 2325900389 WPWCYSKEBYWLOE-UHFFFAOYSA-N 334.217 3.073 30 50 EGEA Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](CN2CCCCC2)C1 120233234 XDOYEANSOSGJLT-QGZVFWFLSA-N 326.444 3.206 30 50 EGEA COc1ccc(-c2c(C#N)c(N)nc3c2CN(C)CC3)c2ccccc12 71752505 KXEJYBUAOOXIGK-UHFFFAOYSA-N 344.418 3.352 30 50 EGEA N#CCC1(CNC(=O)c2csc(=Nc3cc(F)cc(F)c3)[nH]2)CC1 451385783 TWJZKUAUCILLSJ-UHFFFAOYSA-N 348.378 3.010 30 50 EGEA CCn1cc(CN2CCN(c3ccccc3OC)C[C@@H]2C)cc1C#N 72128943 VTJQDNQJAXTJON-INIZCTEOSA-N 338.455 3.099 30 50 EGEA N#CC1(C#N)[C@@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@H](Cc1ccccc1)O3 245238374 MCBJDBNHNDAUID-XAMWDVODSA-N 346.390 3.065 30 50 EGEA N#C[C@@]1(NC(=O)c2ccc(C(F)(F)F)nc2)CCc2ccccc2C1 183936573 WKGZFOLANGMZAY-QGZVFWFLSA-N 345.324 3.281 30 50 EGEA COc1ccc(CN2CCC[C@H](c3nnc(C)o3)[C@@H]2C)cc1C#N 886077557 JCMZUIVQDPQPGV-LRDDRELGSA-N 326.400 3.026 30 50 EGEA C=CCN1C(=O)[C@@H]2C3c4ccccc4C(C)(c4ccccc43)[C@@H]2C1=O 233535 YITKMVZUCLEHOZ-KLOMGHIOSA-N 329.399 3.239 30 50 EGEA COc1cccc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)c1OC 67908495 YLYRTQVVFSCLFU-UHFFFAOYSA-N 334.379 3.225 30 50 EGEA C=C/C(O)=N/CCOc1cccc(NC(=O)c2ccc(OC)cc2)c1 328597064 CZXGMSQIGDGQGB-UHFFFAOYSA-N 340.379 3.469 30 50 EGEA CCCn1cc(-c2cc(-c3ccc(OC)nc3)nc(N)c2C#N)c(C)n1 71763495 RYGKXGJSRWWRDO-UHFFFAOYSA-N 348.410 3.188 30 50 EGEA COc1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)cc1 244724441 MUGGWZWSKYDPAD-UHFFFAOYSA-N 337.467 3.464 30 50 EGEA C#CCCC1(CCC(=O)N2CCO[C@@H](c3ccc(F)c(C)c3)C2)N=N1 952882082 RMNRTVJVHDFIIS-QGZVFWFLSA-N 343.402 3.390 30 50 EGEA CCCCCCCCCCOCCOCCOCCOCCO 71788551 ASMWIUUCZFNLHL-UHFFFAOYSA-N 334.497 3.186 30 50 EGEA in-vitro Cc1ncsc1CN(C)C[C@@H]1CCN(c2cccc(F)c2C#N)C1 190445936 MRXXKCFTPKLQMC-AWEZNQCLSA-N 344.459 3.421 30 50 EGEA COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)cc1 70754 JZXNDABXKWJPGE-SFHVURJKSA-N 337.375 3.493 30 50 EGEA O=[N+]([O-])c1ccc(N/N=C2/[C@@H]3[C@H]4C[C@@H]5[C@H]6C[C@H]([C@H]3[C@H]46)[C@H]25)c([N+](=O)[O-])c1 245266927 KSEOYFBWVDHLNF-USZBJIJPSA-N 340.339 3.049 30 50 EGEA Cc1ccc(Br)c2c1N(C(=O)CSCC#N)CCC2 272176945 FEBNFMUGBOPACA-UHFFFAOYSA-N 339.258 3.294 30 50 EGEA COc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1 2821013 RNXHXSXRUWCGGX-UHFFFAOYSA-N 327.409 3.310 30 50 EGEA CCc1cc(C(=O)N[C@]2(C#N)CC2(C)C)c2c(C(C)C)noc2n1 362173989 RJRHUGMGLWYNIW-SFHVURJKSA-N 326.400 3.331 30 50 EGEA Cc1ccc(C#N)cc1S(=O)(=O)N1CCCC[C@@H]1c1nccs1 175387758 VZNLCAJAVJIDNO-CQSZACIVSA-N 347.465 3.239 30 50 EGEA N#C[C@H](C(=O)c1cnc2ccc(F)cc2c1)c1nnc2n1CCCCC2 179000247 YMRKZLMVDHKTKO-OAHLLOKOSA-N 349.369 3.182 30 50 EGEA CCc1nnc(N2CC(c3ncnc4ccccc34)C2)c(C#N)c1CC 1875305030 CWDFWZCOURFDML-UHFFFAOYSA-N 344.422 3.020 30 50 EGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1c(F)cccc1F 19902713 OLRSEYJKBKPVLL-SFHVURJKSA-N 347.361 3.496 30 50 EGEA C=CCN(Cc1ccc(C)s1)C(=O)CCC(=O)NC1CCCC1 55414640 HKTAUCJZKUBELV-UHFFFAOYSA-N 334.485 3.410 30 50 EGEA C=CCN(Cc1ccc(-n2cncn2)cc1)Cc1cccc(OC)c1 55568753 GCPGYKKNICOVEQ-UHFFFAOYSA-N 334.423 3.464 30 50 EGEA C=C(C)COc1cccc(C(=O)NCCCn2ccnc2CC)c1 55119683 SABXZPMPDHZRSQ-UHFFFAOYSA-N 327.428 3.221 30 50 EGEA N#C[C@H]1COCCN1C(=O)c1cn(Cc2ccccc2)c2ccccc12 173129964 BHUAYLJKMAUJAW-KRWDZBQOSA-N 345.402 3.054 30 50 EGEA N#Cc1ccc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)nc1 292888459 ZSOVYTBUVWCUND-UHFFFAOYSA-N 332.451 3.446 30 50 EGEA C=CCn1cc(-c2cn(Cc3csc4c3CCCC4)nn2)cn1 91416705 IHHYTMDJHCAVQN-UHFFFAOYSA-N 325.441 3.316 30 50 EGEA Cc1nc(C(=O)Nc2cccc(C#N)c2)nn1-c1cccc(Cl)c1 252498528 RDYWGRNEYNYLKP-UHFFFAOYSA-N 337.770 3.353 30 50 EGEA C[C@@H]1CCCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)C1 252694013 HCQODXJXLKLAFK-BPOVIGQYSA-N 347.499 3.245 30 50 EGEA biogenic C=CCN(Cc1ccccc1C)C(=O)COc1ccc2c(c1)OCO2 55344690 WRXQFRADSMSRSV-UHFFFAOYSA-N 339.391 3.317 30 50 EGEA OC(=Nc1c[nH]nc1[C@H]1CCCN([C@H]2CCOC2)C1)c1ccccc1 329172860 KPHXAUFUUORVDA-HOTGVXAUSA-N 340.427 3.014 30 50 EGEA N#Cc1cc(Cl)ccc1CN1CCC(OC[C@H]2CCOC2)CC1 364366976 VXJPNBBZODJKJL-AWEZNQCLSA-N 334.847 3.229 30 50 EGEA CC[C@H](C)CONC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 292198249 NOUFYZNUGFTDRL-ZDUSSCGKSA-N 333.407 3.008 30 50 EGEA COCc1cc(C)nc(SCC(=O)N[C@H]2CCCC[C@@H]2C)c1C#N 13281410 NHUJFAZBBCPFKE-LRDDRELGSA-N 347.484 3.195 30 50 EGEA Cc1oc(C#N)cc1C(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1 253433274 VAMYSVWZLGKCTF-PBHICJAKSA-N 337.423 3.100 30 50 EGEA CCOC(=O)[C@H](C#N)[C@]1(c2ccccc2OC)CCOC(C)(C)C1 206903 JKYAQPBLKAVSMJ-HNAYVOBHSA-N 331.412 3.225 30 50 EGEA Cn1cc(C#N)cc1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1 225466802 XAZJSTUMOCGGCI-UHFFFAOYSA-N 349.438 3.340 30 50 EGEA N#Cc1cc(N(Cc2ccccc2)C[C@H](O)c2ccsc2)ncn1 253432567 LEWPYUYPBAUHSQ-KRWDZBQOSA-N 336.420 3.150 30 50 EGEA C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC/C2=C/CO 257356030 FIMYJWIQTVIDQB-GBUPKJRSSA-N 328.452 3.184 30 50 EGEA C#CC[C@]1(c2nc(-c3ccc(OCC(F)F)cn3)no2)CCCCO1 1875285944 HMPWCAHOOCZPQC-QGZVFWFLSA-N 349.337 3.195 30 50 EGEA CC1(C)CCCN(S(=O)(=O)c2ccc(F)cc2Cl)[C@H]1C#N 277449387 GHEYGGCXNXZZMA-ZDUSSCGKSA-N 330.812 3.182 30 50 EGEA Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 189143037 OFVLUZFOLBHFHB-UHFFFAOYSA-N 349.394 3.089 30 50 EGEA Cc1noc([C@H](/N=C(/O)c2ccc3cc[nH]c3c2)C2CCOCC2)n1 328613115 QTWXBXWLGJZTIK-MRXNPFEDSA-N 340.383 3.332 30 50 EGEA N#Cc1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 6377261 IVUXNEPTWAMHKY-UHFFFAOYSA-N 349.159 3.477 30 50 EGEA C#CC1(NS(=O)(=O)c2ccccc2C(F)(F)F)CCCCC1 4108972 QRQGUVQUPKMGAU-UHFFFAOYSA-N 331.359 3.320 30 50 EGEA Cn1cc(CNC[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1C#N 372784772 PIHINMJDRGPNLL-CQSZACIVSA-N 328.847 3.166 30 50 EGEA Cc1nnc(N2CC[C@](F)(c3cc(F)cc(F)c3)C2)c(C#N)c1C 376477522 DGSVJQNUVRKBQZ-QGZVFWFLSA-N 332.329 3.318 30 50 EGEA N#Cc1nc2c(nc1C#N)-c1ccccc1C2=NOCc1ccccc1 255003915 GKOWDIBLCDZJHF-UHFFFAOYSA-N 337.342 3.170 30 50 EGEA Cn1cc(C#N)cc1C(=O)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O 164561226 RVGRMMCZTMJXCK-JKSUJKDBSA-N 327.428 3.041 30 50 EGEA C=CCN(CC=C)S(=O)(=O)c1cc(Br)c(C)cc1C 1775988912 QJXPHLPPAWWPMI-UHFFFAOYSA-N 344.274 3.429 30 50 EGEA CC(C)[C@@H]1C[C@@H](CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCO1 222196993 PWLQEBLEJOEYFZ-ACRUOGEOSA-N 341.499 3.148 30 50 EGEA N#CCC(=O)Nc1ccnn1Cc1ccc(SC(F)(F)F)cc1 408514129 UJEUNVDRBGZZMH-UHFFFAOYSA-N 340.330 3.395 30 50 EGEA Cc1ccc([C@H](CNC(=O)Cc2ccc(C#N)cc2)N2CCCC2)cc1 194882344 NQYVVYRUOLKFSL-NRFANRHFSA-N 347.462 3.363 30 50 EGEA C=C(C)[C@@H]1CC=C(CN2CCC(=O)N(Cc3ccccn3)CC2)CC1 12242996 WJCGGZHVQYWOAT-LJQANCHMSA-N 339.483 3.419 30 50 EGEA C#Cc1cccc(NC(=O)COc2ccc(Br)cc2)c1 467837 IEIMINVIOHNJND-UHFFFAOYSA-N 330.181 3.448 30 50 EGEA N#Cc1cc2c(nc1N1CCC[C@]3(CCc4c[nH]nc43)C1)CCCC2 2356144185 MHDLGLIIVITUPB-FQEVSTJZSA-N 333.439 3.040 30 50 EGEA Cc1cc(C)n([C@H]2CCN(Cc3ccc(C#CC(C)(C)O)cc3)C2)n1 65533178 HHUWHMSSPJZZTD-FQEVSTJZSA-N 337.467 3.069 30 50 EGEA N#Cc1cccc(N2CCN(Cc3ccc(F)c(Cl)c3F)CC2)n1 65395747 MIUDAABIEBFBMM-UHFFFAOYSA-N 348.784 3.207 30 50 EGEA C=CCCc1ccccc1NC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 331579597 OTDXPGIJVLZYDB-LPHOPBHVSA-N 330.428 3.265 30 50 EGEA C#Cc1cccc(N(Cc2ccccc2)C(=O)COC2CCOCC2)c1 253427124 WFFCOTFVGASQEK-UHFFFAOYSA-N 349.430 3.397 30 50 EGEA Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2cc(C#N)cs2)C1 190467914 PTTBMMMNYQLUBI-AWEZNQCLSA-N 346.525 3.339 30 50 EGEA COc1nc(N)c2c(c1C#N)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1 19874995 HSRXKWLHMUXPOA-HNNXBMFYSA-N 346.390 3.109 30 50 EGEA C[C@@H](Cc1ccccc1C(F)(F)F)/N=C(/O)N1CCCOCC1 328587118 IPKACAVDJLXLHE-LBPRGKRZSA-N 330.350 3.273 30 50 EGEA CC(C)/N=C(/O)N1CCN=C(O)[C@@H]1c1ccccc1Br 328586847 WUDFUXSEYUUCOC-LBPRGKRZSA-N 340.221 3.085 30 50 EGEA N#Cc1ccc(NCC(=O)Nc2ccc(F)cc2OC(F)F)cc1 359533561 XMMFGRGWWRJAJM-UHFFFAOYSA-N 335.285 3.349 30 50 EGEA O=C(O)c1ccc(/C=N/N=C(/Nc2ccccn2)c2ccccn2)cc1 23549934 VVNGVYCIHNJLAB-LPYMAVHISA-N 345.362 3.068 30 50 EGEA COc1ccc(-c2cc(-c3cnc(SC)nc3)c(C#N)c(N)n2)cc1 67974151 WOZIGAQVPZSIPO-UHFFFAOYSA-N 349.419 3.390 30 50 EGEA N#Cc1c[nH]c(C(=O)Nc2ccc(OC(F)F)c3ncccc23)c1 177751591 MFLDULDNFDYQMI-UHFFFAOYSA-N 328.278 3.288 30 50 EGEA Cc1ccc(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)cc1C#N 367315189 NUBDLMOCTXMVCN-OAQYLSRUSA-N 334.419 3.033 30 50 EGEA N#Cc1ccccc1NS(=O)(=O)c1ccc(Br)cc1 300794 DRUDOPHVPJKXJT-UHFFFAOYSA-N 337.198 3.122 30 50 EGEA CSc1cc(C(=O)CSc2nccc(O)n2)ccc1N=C(C)O 328590180 PTMCFWFSUUOXAB-UHFFFAOYSA-N 349.437 3.487 30 50 EGEA C=C(C)COc1cccc(NC(=O)N(C)CCc2noc(C)n2)c1 286971792 KTKDZIQWWLFBLV-UHFFFAOYSA-N 330.388 3.039 30 50 EGEA COc1ccc2occ(C(=O)[C@H](C#N)C(=O)NC3CCCCC3)c2c1 408515782 IWNVHWUPAFHLNF-HNNXBMFYSA-N 340.379 3.213 30 50 EGEA CCOc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1OC 520699 VPQDERHLNDWQGT-LTGZKZEYSA-N 339.439 3.250 30 50 EGEA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C[C@@H](C#N)CCC#N)C1 343747314 KZBYXVVXYOCJFT-OLZOCXBDSA-N 339.365 3.062 30 50 EGEA C[C@H](Cc1ccccc1)/C(O)=N/[C@H]1CCCO[C@@H]1c1cnn(C)c1 328630831 QGINKZSIMMYDAG-FHLIZLRMSA-N 327.428 3.476 30 50 EGEA C=CCOc1ccccc1-c1c(C)c(-c2cnn(C)c2)nc(N)c1C#N 71754095 HXPAYDSAVAJJMH-UHFFFAOYSA-N 345.406 3.476 30 50 EGEA Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 239672606 BUBPEDKEAKFEKE-HNJNHCNJSA-N 341.455 3.388 30 50 EGEA CN1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(F)c(C#N)c3)cc2)C1 426612681 KWOCRKTWKLPBHF-SFHVURJKSA-N 337.398 3.140 30 50 EGEA O=[N+]([O-])c1ccccc1C=NN1CCN(c2ccc(Cl)cc2)CC1 239038737 DVAKTGFHOXUGRT-UHFFFAOYSA-N 344.802 3.404 30 50 EGEA Cn1c(Cl)nc(Cl)c1/C=C/C(=O)c1ccc(O)c([N+](=O)[O-])c1 136513884 JAVUDQHYGSZXIR-HWKANZROSA-N 342.138 3.237 30 50 EGEA Cc1ccc2n(c1)cc(C)[n+]2CC(=O)c1ccc(Br)cc1 22018617 QPOXQSNSCZZXJW-UHFFFAOYSA-N 344.232 3.489 30 50 EGEA N#Cc1ccc(Oc2cccc(C(=O)NCc3ccncn3)c2)cc1 353539801 ARQSJOXALHMHRK-UHFFFAOYSA-N 330.347 3.071 30 50 EGEA O=C(OCc1ccccc1)[C@@H]1CC/C(=N\OCc2ccccc2)CN1 216174650 AWQXWHGUAORNIK-HXTJDARSSA-N 338.407 3.055 30 50 EGEA Cc1cc(=O)oc(C)c1C(=O)N(CC#Cc1ccccc1)CC(C)C 199490576 SZCYOPVXDHHKFT-UHFFFAOYSA-N 337.419 3.407 30 50 EGEA CC(C)(C)OC(=O)N1C[C@H]2C/C(=N/N=c3cc[nH]cc3F)CC[C@H]2C1 1875267451 GRHFIPXKRRZOIW-OMVDDMMESA-N 348.422 3.078 30 50 EGEA N#Cc1ccc(C(F)(F)F)nc1N1CCC(O)(c2ccccc2)CC1 274277383 UDINKENTOIVLSZ-UHFFFAOYSA-N 347.340 3.460 30 50 EGEA CC1CCN([C@@H](C/N=C(\N)Nc2ccccn2)c2ccccc2)CC1 170909460 OLSZAQZWAFGONI-SFHVURJKSA-N 337.471 3.281 30 50 EGEA CC(O)=Nc1ccc(NC(=O)CN2CCSC[C@@H]2C2CC2)cc1 328598745 OHIQYWVKVXNJLR-MRXNPFEDSA-N 333.457 3.060 30 50 EGEA CN(CCC/N=C(/O)[C@@H]1CCCC12OCCO2)Cc1ccccc1 328589900 NMYHQZZGDPVSHV-KRWDZBQOSA-N 332.444 3.008 30 50 EGEA COc1ccc(C(=O)/C=C/Nc2ccc(NC(C)=O)cc2)cc1OC 4179399 ZWAOMUGIVYCJTE-ZHACJKMWSA-N 340.379 3.471 30 50 EGEA N#Cc1ccc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1F 248881931 PRWSTHZPZWKLRS-KSSFIOAISA-N 332.325 3.283 30 50 EGEA N#Cc1cc(F)c(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)c(F)c1 151890995 IZTQXUOJUNJBRF-YMTOWFKASA-N 334.272 3.401 30 50 EGEA C=CCN1C(=O)/C(=C2\SC(=S)N(CCC)C2=O)c2ccccc21 1822619 MKTPFOFHCTYKGW-YPKPFQOOSA-N 344.461 3.201 30 50 EGEA O=C(C[n+]1cc2ccccc2cn1)Nc1cc(Cl)cc(Cl)c1 2532625 STVSJPRNQOGVNF-UHFFFAOYSA-O 333.198 3.468 30 50 EGEA C=CCOc1cccc(C(=O)NCc2nc(-c3ccccc3)no2)c1 4842578 PKXUKJPLTYKZTM-UHFFFAOYSA-N 335.363 3.231 30 50 EGEA C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 105225476 GBFCWQABIOVAIP-KDWLLMAHSA-N 326.849 3.430 30 50 EGEA C#Cc1cccc(C(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)c1 12298147 XRLUYGVFZYZSPL-JOCHJYFZSA-N 346.474 3.447 30 50 EGEA CC(=O)Nc1ccc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)cc1 71440364 HOGIDXJYXGUHAV-UHFFFAOYSA-N 346.394 3.168 30 50 EGEA CC1(C)OB(c2cc(F)ccc2OC[C@H]2CCCCO2)OC1(C)C 384464675 UBZXQJADCQGFRP-CQSZACIVSA-N 336.212 3.073 30 50 EGEA C[C@H](CC#N)N(C)C[C@](O)(c1ccc(Br)cc1)C(F)F 1875275590 AASAUFAKXYZZJK-YGRLFVJLSA-N 347.203 3.136 30 50 EGEA Cc1ccc(C#N)cc1C(=O)NCCc1cnn(-c2ccccc2)c1 1354499324 LTIKTDNJROTIDD-UHFFFAOYSA-N 330.391 3.025 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 19300854 QVQKQVCVNNTYJF-KRWDZBQOSA-N 325.408 3.464 30 50 EGEA CN1CC[C@@H](C/N=C(/O)Cc2ccccc2F)[C@@H]1c1cccnc1 328627099 MITHDJIEPGPNER-LPHOPBHVSA-N 327.403 3.413 30 50 EGEA CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(C(C)C)cc1 96603 NYGOHHRVPKTXKW-SJLPKXTDSA-N 343.423 3.273 30 50 EGEA O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccccc1)n1ncnc1N2 4435931 XHIGTUVIKQAZIQ-FZKQIMNGSA-N 332.363 3.287 30 50 EGEA Cc1sc(NC(=O)CCn2c(=O)oc3ccccc32)c(C#N)c1C 4487924 BTZSYPKWWUFVGG-UHFFFAOYSA-N 341.392 3.173 30 50 EGEA C=CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 4842455 NRVAEXXTGRGSGD-UHFFFAOYSA-N 328.324 3.421 30 50 EGEA C=CCC(O)(CC=C)[C@H](C)Nc1nncc(-c2ccc(F)cc2)n1 12373157 NNJPIHRIXXNDPB-ZDUSSCGKSA-N 328.391 3.361 30 50 EGEA OC[C@@H](Cc1ccncc1)/N=C(/O)c1cccc(C(F)(F)F)c1F 328594676 JDSBHBSSUAWUCO-LLVKDONJSA-N 342.292 3.148 30 50 EGEA COc1ccc2c(c1)/C(=N/Nc1ccc(C(=O)O)cc1)CCCO2 1875262271 CKVDAFYIBZLGAV-CAPFRKAQSA-N 326.352 3.382 30 50 EGEA C#CCCC1(CCC(=O)N2CCC[C@H]2CN2CCC(C)CC2)N=N1 1875382384 ZJOIUYJLMWFAOU-KRWDZBQOSA-N 330.476 3.065 30 50 EGEA C=CCSc1nc2cc(C(=O)O)ccc2c(=O)n1-c1ccccc1 13234998 BTFXHDQPTBXLHH-UHFFFAOYSA-N 338.388 3.362 30 50 EGEA OC(CCN1CCC[C@@H]2CCC[C@H]21)=N/C(O)=N/CCC(F)(F)F 328600079 VLWHLJRDBFDNDN-NWDGAFQWSA-N 335.370 3.464 30 50 EGEA N#Cc1ncncc1Nc1cnn(Cc2cc(F)ccc2Cl)c1 2325841174 HHXOFKOPVWXKRJ-UHFFFAOYSA-N 328.738 3.129 30 50 EGEA Cc1ccc(C(=O)[C@]2(C)N(O)[C@H](C)C(c3cccs3)=[N+]2[O-])cc1 4314734 SWEZWYGQZZMOHC-SJKOYZFVSA-N 330.409 3.048 30 50 EGEA C#C[C@@H](C)NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 225610949 PFQRPRRZCPPYNR-GFCCVEGCSA-N 329.787 3.457 30 50 EGEA CC1(C)OB(c2cccc(NC(=O)NC3CCCC3)c2)OC1(C)C 382646301 YLGKLVOKNAWIBF-UHFFFAOYSA-N 330.237 3.050 30 50 EGEA Cc1c(O[C@@H]2CCCCO2)ccc(B2OC(C)(C)C(C)(C)O2)c1F 169747287 RPWLRVFHYWWVCT-OAHLLOKOSA-N 336.212 3.339 30 50 EGEA in-vitro C=CCN1C(=O)/C(=C/c2ccc(Br)o2)SC1=S 1083660 SNVFRDZNVBEYKO-VURMDHGXSA-N 330.228 3.429 30 50 EGEA Cc1ccnc(B2OC(C)(C)C(C)(C)O2)c1NC(=O)OC(C)(C)C 169969228 MBDUEZDXNKIRSM-UHFFFAOYSA-N 334.225 3.036 30 50 EGEA C#CCCC1(CCC(=O)N2CCc3cc(C(=O)O)ccc3[C@@H]2C)N=N1 2325901025 QQFAXHNVTWESPO-ZDUSSCGKSA-N 339.395 3.186 30 50 EGEA C=CCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1 2866647 DHIJCRISWSWYQG-UHFFFAOYSA-N 330.365 3.365 30 50 EGEA Cc1ccc(-c2nc(CCNC(=O)c3cccc(C#N)c3)co2)cc1 364456615 CVCVXPCEFJTOTE-UHFFFAOYSA-N 331.375 3.494 30 50 EGEA N#Cc1ccc(NC(=O)NC[C@H]2CCN(c3ccccc3F)C2)cc1 365802443 ZUBRSFSCLFAZIY-OAHLLOKOSA-N 338.386 3.345 30 50 EGEA C[C@H](NC(=O)N1CCC(C#N)CC1)c1cnn(-c2ccc(F)cc2)c1 534649374 VQRCATYJABUOCA-ZDUSSCGKSA-N 341.390 3.018 30 50 EGEA N#Cc1ccc(CC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1 194748562 JTZWJGCVZLXODY-UHFFFAOYSA-N 347.418 3.412 30 50 EGEA O=C1N/C(=N/N=C/c2cccs2)S[C@H]1Cc1ccc(F)cc1 17015246 FVJDHQXBYPVFCY-YRUBURHZSA-N 333.413 3.051 30 50 EGEA C=CC[C@H](CC)NC(=O)NCc1ccc(-n2nc(C)cc2C)nc1 225568014 ULPZCFSTFFRIJG-INIZCTEOSA-N 327.432 3.038 30 50 EGEA C=CCNC(=S)N/N=C/c1ccc(OCc2ccccc2)cc1 2969198 SCNLBENVNUGTGE-DEDYPNTBSA-N 325.437 3.250 30 50 EGEA C#CCCC1(CCC(=O)NC[C@@H]2CCCc3sc(C)nc32)N=N1 2325886145 XNOLIHIANLCDQW-ZDUSSCGKSA-N 330.457 3.343 30 50 EGEA CC(=O)NC[C@H]1CCCN(Cc2ccc(-c3ccccc3C#N)o2)C1 67856809 XWJACTRGPQCDRT-MRXNPFEDSA-N 337.423 3.166 30 50 EGEA Cc1nn(-c2ccccc2)c(C)c1[C@H]1Nc2ccccc2C(=O)N1O 39423 NGLDORCRRLOQLY-SFHVURJKSA-N 334.379 3.445 30 50 EGEA CCn1nccc1C(=O)/C=C/c1ccc(OC)c(Cn2cccn2)c1 6634673 NHDYKWTZWILGGC-FNORWQNLSA-N 336.395 3.053 30 50 EGEA C#CCCC1(CCNC(=O)Cc2nc(-c3cccs3)oc2C)N=N1 1875381360 RTVLQAFNZAUCJW-UHFFFAOYSA-N 342.424 3.336 30 50 EGEA COc1ccc(/C=N/N2CCOCC2)cc1COc1ccc(F)cc1 443141 UKYKKVDMGUHITH-FYJGNVAPSA-N 344.386 3.079 30 50 EGEA Cc1cc(C)c2[nH]cc(C#N)c(=NCc3ccc4c(c3)CNC4)c2c1 2325858679 WYNCAAHERYGYST-UHFFFAOYSA-N 328.419 3.361 30 50 EGEA C#CCCC1(CCNC(=O)Cc2cccc(OCC3CC3)c2)N=N1 2325891482 KBAHYKYPZGSUJH-UHFFFAOYSA-N 325.412 3.100 30 50 EGEA C#CCCC1(CCC(=O)N(C)Cc2c(C)nc3sccn23)N=N1 2325892317 IYCIMKQEJMJLFE-UHFFFAOYSA-N 329.429 3.018 30 50 EGEA C=CCOc1c(Cl)cc(CN[C@@H](C)Cn2cccn2)cc1OC 55225939 ZTVQHLVKXVYXBQ-ZDUSSCGKSA-N 335.835 3.288 30 50 EGEA C=CCn1c(SC[C@H]2CCCS(=O)(=O)C2)nc2ccccc21 252483681 FGVJVRFRCXDPNS-CYBMUJFWSA-N 336.482 3.139 30 50 EGEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cc([N+](=O)[O-])c1OCC(C)C 170003748 ONSHTYKSOJYKTE-UHFFFAOYSA-N 335.209 3.237 30 50 EGEA Cc1ccccc1NC(=O)[C@@H](C#N)Cc1c(C)[nH]c2ccccc2c1=O 65365646 YJTIVGXHHAJKMM-OAHLLOKOSA-N 345.402 3.466 30 50 EGEA C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H](O)Cc1ccccc1Cl 425120770 BABCLNDBYXDVIR-ACJLOTCBSA-N 342.826 3.335 30 50 EGEA N#Cc1cnc(Oc2cccc(C(=O)NCc3ccccc3)c2)cn1 120489669 ZXYXDEGSMWFGQO-UHFFFAOYSA-N 330.347 3.071 30 50 EGEA CCCCO[C@@H]1C[C@@H](N[C@H](C)C(=O)NC2(C#N)CCCCC2)C1(C)C 253430356 QMAXBBCALVFHAA-BRWVUGGUSA-N 349.519 3.291 30 50 EGEA CN1CCC(N(CCc2ccccc2)C(=O)c2ccc(C#N)cc2)CC1 72439491 ZNTQFAFXDGHICW-UHFFFAOYSA-N 347.462 3.337 30 50 EGEA Cc1ccc(C#N)c(N2CCC[C@H](N(C)CCc3ccccc3)C2)n1 72137075 CIHSDSGMPSAVFY-FQEVSTJZSA-N 334.467 3.405 30 50 EGEA C#CCCC1(CCNC(=O)c2snnc2-c2ccccc2C)N=N1 1875381469 WEKBLCIKQXZENX-UHFFFAOYSA-N 339.424 3.209 30 50 EGEA COc1cccc(C[C@]2(CO)CCCN(CC#Cc3ccccc3)C2)c1 12570987 HHBHOBJTPGNADA-HSZRJFAPSA-N 349.474 3.364 30 50 EGEA C#CCCC1(CCC(=O)NCc2cccnc2OCCCC)N=N1 2325892656 VYLPMMYWUZVETH-UHFFFAOYSA-N 328.416 3.232 30 50 EGEA CCOC(=O)C1=C(c2ccc(OC)cc2)C(=O)c2ccccc2C1=O 290988 XXVSDVHJZIFLCW-UHFFFAOYSA-N 336.343 3.091 30 50 EGEA C=C(C)[C@@H]1CC=C(CN2CCC(n3cc(C(C)(C)O)nn3)CC2)CC1 23478320 LFSZTQVAVBTABW-QGZVFWFLSA-N 344.503 3.445 30 50 EGEA C[C@H](Cc1ccc(C(F)(F)F)cc1)/C(O)=N/CC1=NN(C)C(=O)C1 328591394 BMOUMRMNYAMKMS-SNVBAGLBSA-N 341.333 3.059 30 50 EGEA COc1ccc(CN2CCC(C)(C#N)CC2)cc1CN1CCCC1 215166359 BLRKLLPVSRBFMP-UHFFFAOYSA-N 327.472 3.417 30 50 EGEA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCc1ccc(C#N)cc1)(C3)C2 952972866 MDOCVKUXIQGCLG-GFOJFJKKSA-N 338.451 3.286 30 50 EGEA CCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C#N)c2ccccc12 170652034 AELAPTBHIVKOLU-CZUORRHYSA-N 344.436 3.209 30 50 EGEA Cc1ccc(S(=O)(=O)/N=C(/c2ccc(Cl)cc2)N(C)C)cc1 15856840 QEIQMXAWEUKIRW-VLGSPTGOSA-N 336.844 3.346 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(F)ccc1F 19810979 BEXDEWNYZFMRFL-MRXNPFEDSA-N 333.334 3.106 30 50 EGEA N#Cc1nc(COc2ccc(Br)cc2)oc1NC1CC1 618835 YENPKPXSFKAOQQ-UHFFFAOYSA-N 334.173 3.462 30 50 EGEA C=CCOc1ccc(C(=O)N2CCC[C@](CC)(CO)C2)cc1OCC 55154825 NNCMXADQJGEAJB-FQEVSTJZSA-N 347.455 3.275 30 50 EGEA COc1cccc2c1CCc1c-2nc(N)c(C#N)c1-c1ccc(CO)o1 67871961 WNLJUDZZPHBZSZ-UHFFFAOYSA-N 347.374 3.062 30 50 EGEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(Cc2ncc(C(C)C)s2)C1 328621559 HUSOMANFCJIHFB-INIZCTEOSA-N 349.460 3.036 30 50 EGEA Cc1c([C@@H]2CCCN2C(=O)c2cc(C#N)ccc2Cl)cnn1C 367711413 CJEPBMOLQOSSJO-INIZCTEOSA-N 328.803 3.231 30 50 EGEA CC1(c2cc(-c3ccc(Cn4cccn4)cc3)c(C#N)c(N)n2)CC1 71589567 TUCPHGWWXWSPQN-UHFFFAOYSA-N 329.407 3.499 30 50 EGEA C=C[C@](C)(CC)C(=O)N1CCC(n2cc(Br)cn2)CC1 241466028 NUAMUEDJMFLNGM-OAHLLOKOSA-N 340.265 3.411 30 50 EGEA C[C@H](NCc1cccc(CN2CCOCC2)c1)c1ccc(C#N)cc1 181530450 JGOJDJBTGCUCHN-KRWDZBQOSA-N 335.451 3.241 30 50 EGEA CCOc1ccc(OC)c(/C=N/NC(=S)NC2CCCCC2)c1 4229733 PGECZKGEFYVANM-LDADJPATSA-N 335.473 3.225 30 50 EGEA O=[N+]([O-])c1ccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)cc1 5996701 JHXOYXQYWKPKJY-RQZCQDPDSA-N 343.343 3.163 30 50 EGEA COc1cc(/C=N/NC(=S)Nc2cccc(Cl)c2)ccc1O 4360383 WDUDFVVUUXRSPR-RQZCQDPDSA-N 335.816 3.375 30 50 EGEA C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1\C(=O)OC=C1O 110786817 QQCLBMUOIGPCDE-MCQYLCLSSA-N 348.439 3.001 30 50 EGEA COc1ccc([C@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)c(OC)c1 1422965 FGYLHHMTHKKCAT-CYBMUJFWSA-N 330.380 3.378 30 50 EGEA biogenic C[C@@H](C#N)CNC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 176429647 GHBDTFVVQGSLCL-QMMMGPOBSA-N 339.277 3.037 30 50 EGEA O=[N+]([O-])c1ccc(/C=N/NC(=S)NC2CCCCC2)cc1Cl 4210557 INTBKHVCSTVKEN-CXUHLZMHSA-N 340.836 3.379 30 50 EGEA O=C1C[C@@H](C(=O)Nc2ccc(F)cc2)S/C(=N/c2ccccc2)N1 13552688 VMCBSUJRIDQQNW-AWEZNQCLSA-N 343.383 3.074 30 50 EGEA Cc1nc(CC2CC2)sc1/C(O)=N/C1CCN(C(=O)C2CC2)CC1 329955728 KVCWVEKNXJOTCY-UHFFFAOYSA-N 347.484 3.110 30 50 EGEA N#Cc1cccc(-c2nc(C3CC3)nn2-c2ccc3c(c2)OCO3)c1 65489263 VXKFCTPSNAXGCN-UHFFFAOYSA-N 330.347 3.412 30 50 EGEA CCCc1c(N/C(O)=N/[C@H]2CN=C(O)C2)cnn1-c1ccc(C)cc1 328595788 FEDHVAFOLMGSFG-CYBMUJFWSA-N 341.415 3.188 30 50 EGEA COCCOc1ccc(C/C(O)=N/[C@H](C(C)C)C2(CO)CCC2)cc1 328598543 MUJVQEXTTPNTML-LJQANCHMSA-N 349.471 3.398 30 50 EGEA C=C(Br)CSc1nnc(COc2ccccc2)n1C 124531582 PUCCGDFUZKKNFP-UHFFFAOYSA-N 340.246 3.395 30 50 EGEA Cc1nsc(NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)c1C#N 253425278 CFJMJZBQEYMARX-NOZJJQNGSA-N 340.408 3.170 30 50 EGEA Cc1cc(C)c(C#N)c(N2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)n1 77389465 VLBRUDCEZJNNQP-FQEVSTJZSA-N 340.471 3.188 30 50 EGEA CCCn1cnnc1[C@H](C)NC(=O)Nc1ccc(C#N)cc1CC 95521021 MJJYALYQSIRHLN-LBPRGKRZSA-N 326.404 3.005 30 50 EGEA CO[C@H](C)CS(=O)(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 193319949 UVJQDHBMRJMUCX-CYBMUJFWSA-N 346.408 3.127 30 50 EGEA Cc1ccc(NC(=O)ON2C(=O)c3ccccc3C2=O)cc1Cl 397722 XTVGILUFYXAZFR-UHFFFAOYSA-N 330.727 3.408 30 50 EGEA OCC[C@H](/N=C(/O)c1cc(F)c(F)cc1Cl)C1CCOCC1 330915578 ZCTZVUUTMMXKKM-AWEZNQCLSA-N 333.762 3.100 30 50 EGEA C=CCN(Cc1ccccc1OCC)C(=O)c1c(C)cc(C)[nH]c1=O 55253654 LPXWHHGQZSVPPQ-UHFFFAOYSA-N 340.423 3.219 30 50 EGEA COc1cccnc1N=C(O)N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1 328594692 SDCIGDFEVDMZOR-LRDDRELGSA-N 345.374 3.237 30 50 EGEA C[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)NC2CCCCC2)CC1 184233861 HHHGHYGOJRNHLQ-INIZCTEOSA-N 340.471 3.279 30 50 EGEA Cc1cc(C#N)ccc1-c1ccc(C(=O)N2CCCC[C@@H]2CN)cc1 584885625 CLGZHWWRJYJDIG-LJQANCHMSA-N 333.435 3.487 30 50 EGEA Cc1nnc(C[C@@H]2CC[C@H](Nc3nc(C)c(C#N)cc3Cl)C2)o1 952890474 AWKDQRVIXLWECI-YPMHNXCESA-N 331.807 3.430 30 50 EGEA COCc1cc(C)nc(SCC(=O)N[C@@H]2CCCC[C@H]2C)c1C#N 13281411 NHUJFAZBBCPFKE-MLGOLLRUSA-N 347.484 3.195 30 50 EGEA CC1=C/C(=N/OS(=O)(=O)c2ccc(C)cc2)C(C(C)C)=CC1=O 4755018 AVPOYHHAAUBXSV-VLGSPTGOSA-N 333.409 3.168 30 50 EGEA CC[C@@H]1CN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)C[C@H](C)O1 111026892 SUOXEDWXAZCRQT-WCQYABFASA-N 345.468 3.192 30 50 EGEA C[C@H]1CCc2sc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c(C#N)c2C1 100630662 OEFZKLVDEPGSFD-WQFFQYHTSA-N 338.432 3.056 30 50 EGEA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(Cc1cccc(C#N)c1)CC2 426641450 UXPSKWSWNRQCCZ-QHAWAJNXSA-N 340.467 3.497 30 50 EGEA Cc1c(C#N)c(N2CCOc3ccc(CO)cc3C2)nc2ccccc12 1857682892 VDWAEMXJNWDUHN-UHFFFAOYSA-N 345.402 3.306 30 50 EGEA Cc1nc(CN2CCN(c3c(Cl)cccc3C#N)CC2)oc1C 266374972 MHPCZJNFYWHQNF-UHFFFAOYSA-N 330.819 3.139 30 50 EGEA N#CCCn1cc(CN2CCCc3n[nH]cc32)c(-c2ccccc2)n1 225744821 VVZMLTAMRSUSQP-UHFFFAOYSA-N 332.411 3.140 30 50 EGEA C=CCN1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)CCC)c(OC)c1 55282648 SSLODGIAIZVKIS-MRXNPFEDSA-N 345.443 3.023 30 50 EGEA C=CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1c(C)cc(C)cc1C 55119808 QDEHPLFSIJFURL-MSOLQXFVSA-N 342.483 3.337 30 50 EGEA CN(Cc1cc(C#CCO)cs1)C[C@H]1CCN(c2ccccc2)C1 952969459 NQHABQSPYBQNFR-GOSISDBHSA-N 340.492 3.050 30 50 EGEA CC[C@@H](C/N=C(/O)N1C[C@@H]2CC[C@H](C1)O2)Oc1ccccc1Cl 330100099 DQKDHXLCEMCFSB-MELADBBJSA-N 338.835 3.275 30 50 EGEA CC1(C)OB(c2cccc(F)c2CNCc2ccccc2)OC1(C)C 170007426 NDXHLFSDPYCNLO-UHFFFAOYSA-N 341.235 3.415 30 50 EGEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1cc2ccccc2n1C 71735656 CKEZRVOFWJTRII-UHFFFAOYSA-N 342.406 3.403 30 50 EGEA C#CCCC1(CCC(=O)N2CCN(C)c3cc(Cl)ccc32)N=N1 952879947 CLSKDIHZAFXUDK-UHFFFAOYSA-N 330.819 3.479 30 50 EGEA C#CCC(C)(C)C(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C 185599199 KTKUXPLAVNSCOP-UHFFFAOYSA-N 344.480 3.172 30 50 EGEA C=CCn1c(SC2CN(C(=O)OC(C)(C)C)C2)nnc1C1CC1 170641689 DIUHVGSYDWCZAX-UHFFFAOYSA-N 336.461 3.053 30 50 EGEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 281045168 RMKSTBZHAXVFHV-YRXWBPOGSA-N 344.455 3.187 30 50 EGEA COc1ccc(/C=N/n2c(-c3ccco3)n[nH]c2=S)c(OC)c1 1261073 GBOXTPWQTKEMOL-CXUHLZMHSA-N 330.369 3.100 30 50 EGEA CC1(C)OB(c2cc([N+](=O)[O-])cc(C(F)(F)F)c2F)OC1(C)C 169955897 MAXOMANZLLMOOF-UHFFFAOYSA-N 335.062 3.052 30 50 EGEA Cn1c(Sc2cc(C#N)ccc2[N+](=O)[O-])nnc1-c1ccccc1 241213338 KOFDXWKTFFAGRW-UHFFFAOYSA-N 337.364 3.413 30 50 EGEA CN(c1nc(C(F)(F)F)ccc1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 242389637 ZZCNVBFMPJUGIU-RAIGVLPGSA-N 325.334 3.222 30 50 EGEA CCn1nc(C)c(-c2cc(-c3ccc(O)cc3)c(C#N)c(N)n2)c1C 71771533 XESYASOHSIGXPL-UHFFFAOYSA-N 333.395 3.408 30 50 EGEA Cc1cc(C#N)ccc1-c1ccc(C(=O)N2CCCC[C@H]2CN)cc1 584885624 CLGZHWWRJYJDIG-IBGZPJMESA-N 333.435 3.487 30 50 EGEA N#CCCOCCN1CCC(c2nccc(-c3ccccc3)n2)CC1 952891250 CMWCESVTKFDILB-UHFFFAOYSA-N 336.439 3.253 30 50 EGEA C=CCOc1cccnc1C(=O)Nc1ccc2oc(N(C)C)nc2c1 170591763 ZZGVZTUCQCITJO-UHFFFAOYSA-N 338.367 3.106 30 50 EGEA COc1cc(/C=N/NC(N)=S)ccc1OCc1ccc(Cl)cc1 478850 HZWOMCUJMYGUAX-DJKKODMXSA-N 349.843 3.095 30 50 EGEA O=C(O)c1ccc(/N=C2\SCC(=O)N2Cc2ccccc2)cc1 13382203 USTPNGHYQGSMHJ-ZCXUNETKSA-N 326.377 3.148 30 50 EGEA CC(C)CN1C(=O)c2ccc(C(=O)Nc3cccc(C#N)c3)cc2C1=O 452998 LNIIXRREQNSIRE-UHFFFAOYSA-N 347.374 3.063 30 50 EGEA COc1cc(Nc2ccc([N+](=O)[O-])cc2C#N)cc(OC)c1OC 8146874 WDHVNWAIOIMCLU-UHFFFAOYSA-N 329.312 3.236 30 50 EGEA N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)Cc1ccc(F)cc1 170623808 OCMMZRWTMVQTGF-UHFFFAOYSA-N 342.351 3.326 30 50 EGEA C/N=C(/O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 328587165 AZEQXMOAPCADNU-GXTWGEPZSA-N 329.366 3.222 30 50 EGEA Cc1ncsc1CCC(=O)N1CCC(C#N)(c2ccccc2)CC1 96148851 OCJKHXUVCMFRGU-UHFFFAOYSA-N 339.464 3.468 30 50 EGEA N#Cc1c(Nc2ccccc2)ccn(CC(=O)c2ccccc2)c1=O 22146821 ZHEVEXLECRRLLU-UHFFFAOYSA-N 329.359 3.346 30 50 EGEA CC1CCN(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 230549207 QQRSLQQIVIWTEN-UHFFFAOYSA-N 344.264 3.250 30 50 EGEA CC1(C)CN(C(=O)CC#N)[C@H]1c1nccn1COCC[Si](C)(C)C 1157158453 ZCGYZNMXEKXLJZ-HNNXBMFYSA-N 348.523 3.019 30 50 EGEA CCn1ccnc1[C@H]1OCC[C@@H]1Nc1ncc(Cl)c(C)c1C#N 275475134 HYIQBVYEKZOIOQ-KBPBESRZSA-N 331.807 3.074 30 50 EGEA Cn1cccc1/C=N/N1CCN(Cc2cccc3ccccc23)CC1 19773104 FNYLTEJIDZQAOO-CJLVFECKSA-N 332.451 3.330 30 50 EGEA N#CCCN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O 2529535 ROGONWUYMZZYOC-DHZHZOJOSA-N 337.198 3.399 30 50 EGEA Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 332196164 YTUOTHSVTVEFAS-AWEZNQCLSA-N 348.450 3.328 30 50 EGEA COc1ccc2c(ccc[n+]2CC(=O)c2ccc(OC)c(OC)c2)c1 4542448 XQFDEEJUTVVBPW-UHFFFAOYSA-N 338.383 3.036 30 50 EGEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)C(C)(C)C 6697951 BLWXCXXSEXRDJV-UHFFFAOYSA-N 329.400 3.306 30 50 EGEA C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1cc(C#N)cn1C 215513020 RCWHURMEZQWAMP-ZDUSSCGKSA-N 333.395 3.120 30 50 EGEA OC(=Nc1cccc(-c2noc(C3CC3)n2)c1)[C@@H]1C[C@@H]1c1nc[nH]n1 328588481 PZFJFXMBWSGMKY-QWHCGFSZSA-N 336.355 3.124 30 50 EGEA Cc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1ccc(N(C)C)nc1 71746685 LVSPFDIUZWBQNM-UHFFFAOYSA-N 345.406 3.345 30 50 EGEA O/C(=N/[C@@H]1CCOC2(CCCCC2)C1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 330205370 CJOMXPQLBKUPDL-VQHPVUNQSA-N 336.476 3.330 30 50 EGEA Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H](OCc3ccccc3)C2)cc1 390822268 OZZFTTRVVCIFDV-CALCHBBNSA-N 332.421 3.448 30 50 EGEA CC(C)(O)C#Cc1ccc(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)o1 952980792 IKHMAIJBSWPMEE-PJPHBNEVSA-N 327.424 3.053 30 50 EGEA Cc1cccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)c1 4138293 FIJKTAMBZOKNBU-UHFFFAOYSA-N 348.402 3.030 30 50 EGEA Cc1nc(C)c(C/N=C(/O)Nc2cn(C)nc2C(F)(F)F)s1 331314017 CIQMVCCUOYVNJL-UHFFFAOYSA-N 333.339 3.038 30 50 EGEA Cc1ccc(S(=O)(=O)c2oc(-c3ccccc3F)nc2C#N)cc1 334161867 GNKLBGYPDVRBEP-UHFFFAOYSA-N 342.351 3.494 30 50 EGEA C#CCCC1(CCNC(=O)CO[C@H]2CCCc3ccccc32)N=N1 2325886578 BATNJTHRKRZAJY-KRWDZBQOSA-N 325.412 3.162 30 50 EGEA CC(=O)c1ccc(OCC(=O)Nc2ccc(C#N)cc2)c(Cl)c1 119550741 QYYVZIHTEZDPFN-UHFFFAOYSA-N 328.755 3.432 30 50 EGEA Cc1ncc(/C(O)=N/[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)c(C)n1 330700890 GSETYZOXRGFIEF-ZDUSSCGKSA-N 341.337 3.052 30 50 EGEA Cc1ccc(Cc2ccccn2)cc1N=C(O)N1CCC(=O)[C@H](C)C1 329109064 FVPYRWVVOQRQPB-OAHLLOKOSA-N 337.423 3.437 30 50 EGEA COc1cc(N[C@@H]2CCCN([C@H]3CC[C@H](C#N)C3)C2)cc(OC)c1 332360530 UXHNQNAJGZMBJB-UXLLHSPISA-N 329.444 3.272 30 50 EGEA CCCc1nc(CNC(=O)Nc2ccc(OC)c(C#N)c2)cs1 96132937 JTGCRHSHTWGKKY-UHFFFAOYSA-N 330.413 3.298 30 50 EGEA C=C(C)CN(CC)[C@H]1CCC(=O)N(Cc2ccc(OC)cc2)CC1 14953997 WVGFPRLGAUZBGN-SFHVURJKSA-N 330.472 3.474 30 50 EGEA O=c1oc2ccccc2cc1-c1cs/c(=N\N=C\c2ccco2)[nH]1 3898066 VLTUMZDAPJAKRL-GIJQJNRQSA-N 337.360 3.377 30 50 EGEA C=CCNCc1ccc(OCC(=O)Nc2ccccc2)c(OCC)c1 4858514 VPWQMDSCHWMUHZ-UHFFFAOYSA-N 340.423 3.378 30 50 EGEA C=CCNC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1 6727241 ANYRNXUDNTWJNJ-UHFFFAOYSA-N 328.799 3.437 30 50 EGEA C[C@@H]1CCc2c(F)cccc2[C@@H]1N/C(O)=N/[C@H]1CCc2c[nH]nc2C1 329857782 ZMVUDGCZKAXJCF-SUFBMKPHSA-N 342.418 3.233 30 50 EGEA CCOc1ccc([C@H](O)C2CCN(c3ccncc3C#N)CC2)cc1 365705713 VGYBQLSGYKEGJB-FQEVSTJZSA-N 337.423 3.302 30 50 EGEA COc1cccc([C@H]2C[C@H](O)CN2Cc2cc(F)ccc2C#N)c1 282434655 ZDKDEJWWPRWJTH-PKOBYXMFSA-N 326.371 3.014 30 50 EGEA Cc1ccc(-c2nnc(S)n2/N=C/c2ccc(C(=O)O)cc2)cc1 5730561 SRMPMANHNPCVIC-VCHYOVAHSA-N 338.392 3.123 30 50 EGEA CCOc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 250419009 YYTIZANXSDIAKL-IIAWOOMASA-N 330.428 3.277 30 50 EGEA C[C@H](/C(O)=N/[C@@H]1c2ccccc2C[C@@H]1O)N1CCc2ccccc2C1 330339965 XHWDIEBUXNCCGX-VOBQZIQPSA-N 336.435 3.048 30 50 EGEA C[C@H]1C[C@H](/N=C(/O)[C@H]2C[C@@H]2C2CC2)c2ccsc2S1(=O)=O 329106190 DHBFFQMEVDYKPW-MHNYQROPSA-N 325.455 3.358 30 50 EGEA Cc1ccc([C@H]2CCCN2[C@@H]2CCN(c3sccc3C#N)C2=O)o1 267579460 FYKXXUGFYCTLRC-HUUCEWRRSA-N 341.436 3.464 30 50 EGEA C#CCN(CC#C)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 752151748 CXXQDFXHFVOMGV-UHFFFAOYSA-N 339.398 3.248 30 50 EGEA CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 442065 LWAXKFRCZPIKNB-GZTJUZNOSA-N 338.816 3.051 30 50 EGEA COCCOC1CCC(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 253430971 PIGSSQHQIVJMPN-UHFFFAOYSA-N 336.819 3.372 30 50 EGEA COc1ccc(-c2cc(C3CC3)nc(SCC(N)=O)c2C#N)cc1 556169 DIHANAJZHSZEGC-UHFFFAOYSA-N 339.420 3.084 30 50 EGEA Cc1cc(C)nc(N/N=C/c2cc3c(cc2Br)OCO3)n1 4719362 KAIJZBHQAJQZMS-OMCISZLKSA-N 349.188 3.031 30 50 EGEA CCO[C@H](/C(O)=N/Cc1ccc(C(=O)OC)cn1)c1ccccc1 328589777 BGTORSPNGOQOSG-INIZCTEOSA-N 328.368 3.103 30 50 EGEA Cc1noc([C@@H]2CCCN(/C(O)=N/[C@@H]3C[C@H]3c3ccccc3F)C2)n1 328587597 CSXPQVZVIQIOGK-IVMMDQJWSA-N 344.390 3.167 30 50 EGEA C=C[C@@](C)(C=O)C[C@H]1O[C@H](C#N)[C@@]23C(=O)CC[C@@H]2CC[C@@H](C)[C@@]13C 71786306 BWHCUUHAFYWNOR-RRTWWDOWSA-N 329.440 3.460 30 50 EGEA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(O)=Nc1ccc2ccoc2c1 329037873 NKQQHVDLIZSBOG-BRWVUGGUSA-N 344.411 3.494 30 50 EGEA CC(C)N(C(=O)c1cccc(C#N)c1)c1ccc(CC(=O)N(C)C)cc1 240912265 IWYMLHGXQLTLGR-UHFFFAOYSA-N 349.434 3.244 30 50 EGEA CN1CCC[C@@H](CCC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 95359434 HDNQSNLVSRNEEY-SFHVURJKSA-N 339.483 3.192 30 50 EGEA C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2ncn[nH]2)cc1 185012435 SQMOYZJOMGBGPR-UHFFFAOYSA-N 343.390 3.172 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H]2CCc3cc(OC)ccc3C2)N=N1 952879728 GWYBRCVBBCJVOG-MRXNPFEDSA-N 325.412 3.024 30 50 EGEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1Cc1cc(=O)n2nc(C)cc2[nH]1 1704329050 SIYHVBJFCZPNJU-ROUUACIJSA-N 338.455 3.372 30 50 EGEA C=CCS(=O)(=O)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 12091367 QWYQPPRPEQCCCN-CQSZACIVSA-N 329.412 3.125 30 50 EGEA COc1ccc(NC(=S)N/N=C/c2ccc(OC)c(OC)c2)cc1 2506491 GCGUMCKVRBXPNY-WOJGMQOQSA-N 345.424 3.033 30 50 EGEA Cc1cc(C)cc([C@H]2CCCN2C(=O)N=c2[nH]cc(C#N)s2)c1 2325781738 DNTXWCKZDMZBAB-OAHLLOKOSA-N 326.425 3.423 30 50 EGEA Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)cc2O)cc1 6556821 LIQIPDSYXIFNGO-RQZCQDPDSA-N 326.381 3.210 30 50 EGEA CCc1c(C)sc(NC(=O)COc2ccccc2[N+](=O)[O-])c1C#N 2753903 JZZLWMCNYZNUJO-UHFFFAOYSA-N 345.380 3.416 30 50 EGEA Cc1ccc(S(=O)(=O)N/N=C2\[C@H]3C=C/C=C/[C@@H](C=C3)[C@@H]2C)cc1 257346512 NJKAGWLHGKJNOV-WVGLPTLBSA-N 328.437 3.194 30 50 EGEA Cc1nn(C)c(C)c1CN(C(=O)c1cc(F)cc(C#N)c1)C(C)C 55211580 CBLWLLYUSISKHH-UHFFFAOYSA-N 328.391 3.099 30 50 EGEA COc1ccc(CCNC=C2C(=O)CC(c3ccccc3)CC2=O)cc1 100631282 AKANLGXPLZMDFG-UHFFFAOYSA-N 349.430 3.427 30 50 EGEA N#Cc1ccccc1C(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1 67650059 RNGAICFTIULECX-FQEVSTJZSA-N 334.419 3.014 30 50 EGEA COc1cc(F)ccc1NN=C(O)c1cnc([C@@H]2CCCO2)s1 328591256 MYVFDTKJMOIBBK-NSHDSACASA-N 337.376 3.474 30 50 EGEA N#CC[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)C1CC1 20404946 LZAIOJCPPZMFMP-JTQLQIEISA-N 347.724 3.401 30 50 EGEA CC(C)Cc1nc(NCCCN(C)C)c(C#N)c2c1COC(C)(C)C2 20057628 DZBWNOLTKGTPFW-UHFFFAOYSA-N 344.503 3.367 30 50 EGEA Cc1nc(C)c(C(=O)O[C@H]2CCCN(c3ccc(F)cc3C#N)C2)o1 191606392 RPQXUPGWDKCXRH-HNNXBMFYSA-N 343.358 3.128 30 50 EGEA C#CCCC1(CCNC(=O)Cc2nc(-c3ccccc3)cs2)N=N1 2325891628 ROGWKCMIQSRVSN-UHFFFAOYSA-N 338.436 3.434 30 50 EGEA CCCOc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1[N+](=O)[O-] 170003734 BELQRFKXYGYERS-UHFFFAOYSA-N 341.600 3.336 30 50 EGEA Cc1nsc(NC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)c1C#N 253425285 CFJMJZBQEYMARX-ZANVPECISA-N 340.408 3.170 30 50 EGEA Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 239672605 BUBPEDKEAKFEKE-CDHAZOANSA-N 341.455 3.388 30 50 EGEA CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1ccc(F)c(C#N)c1 222103124 IAGTWTAYDCSYQR-APSNUPSMSA-N 332.400 3.229 30 50 EGEA COc1ccc(C/C(N)=N/OCc2ccn(C3CCCC3)n2)cc1 170668110 DOOIRLRTBZTDDZ-UHFFFAOYSA-N 328.416 3.038 30 50 EGEA CCOC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 5598074 HNGLUPZNKWOGNW-FOWTUZBSSA-N 325.320 3.424 30 50 EGEA Cc1noc(C)c1/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328617649 CYTHOZRTNLODPE-SNVBAGLBSA-N 342.321 3.074 30 50 EGEA N#Cc1c(NC(=O)CO/N=C/c2ccccc2)sc2c1CCCC2 2943704 WPWBTAXQEAIEEX-RGVLZGJSSA-N 339.420 3.488 30 50 EGEA Nc1cc2c(cc1N=C(O)[C@@H]1C[C@@]13CCOc1ccccc13)OCO2 328596226 XQPMMDISTGFTFN-HXPMCKFVSA-N 338.363 3.326 30 50 EGEA CC1(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCCCC1 496444585 SEOJAPTYILRPBP-CQSZACIVSA-N 337.464 3.413 30 50 EGEA CC(C)(C#N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20387111 OOROZDHOHLQRSB-UHFFFAOYSA-N 332.757 3.178 30 50 EGEA CC(C)c1ccc2ncc(C#N)c(N3CC[C@@](O)(c4cc[nH]n4)C3)c2c1 2325775630 TWRDWNONMAPILT-FQEVSTJZSA-N 347.422 3.051 30 50 EGEA C#C[C@@]1(O)CCC[C@@H](NC(=O)Nc2cc(F)cc(Cl)c2F)C1 2325782066 UCNMPWDTPYXBMI-MEBBXXQBSA-N 328.746 3.047 30 50 EGEA Cc1cccc(CN=C2NC[C@H]3CC[C@H](C)CN23)c1Br 2325864026 DPGDXNWETWWYLC-SMDDNHRTSA-N 336.277 3.317 30 50 EGEA C[C@@](O)(CNC(=O)N[C@H](CCC#N)c1ccccc1)c1ccsc1 151303431 DZPOHZVFPNTFOO-SJLPKXTDSA-N 343.452 3.300 30 50 EGEA N#Cc1ccc(Cn2cnc3ccc(Br)cc3c2=O)cc1 388866 IDTZIEASAICZQL-UHFFFAOYSA-N 340.180 3.079 30 50 EGEA CC(=O)/C(=C(/C)O)[C@@H]1c2ccccc2O[C@H](C(F)(F)F)[C@@H]1[N+](=O)[O-] 20601839 OHPUZUJQIHXLGR-BOUYHWOHSA-N 345.273 3.160 30 50 EGEA CC1(C)OB(c2cnn(-c3ccc(C(F)(F)F)cc3)c2)OC1(C)C 203614616 QXNKAJOUMBWCGK-UHFFFAOYSA-N 338.138 3.190 30 50 EGEA C=CCCC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 12455969 HIWPUOAZYVBXQD-FQEVSTJZSA-N 332.488 3.374 30 50 EGEA Cc1ccc(/C(O)=N/[C@H](CCO)C2CCOCC2)c(F)c1Cl 331344915 QAXDLLOQYMIKFM-CYBMUJFWSA-N 329.799 3.270 30 50 EGEA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1/C(O)=N/[C@H](C(=N)O)C(C)C 328605073 MGISFRXGVYRVDB-QIIPPGSGSA-N 332.400 3.252 30 50 EGEA Cc1nc([C@H]2CCCN(c3ncccc3C#N)C2)cc(N2CCCC2)n1 72433171 OTPWABBVZTVUFJ-KRWDZBQOSA-N 348.454 3.036 30 50 EGEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)N3CCCC[C@H]3C)o2)cc1 826802947 VJMCJVGNEWYXTL-CYBMUJFWSA-N 345.424 3.085 30 50 EGEA CCc1ccccc1NC(=O)CCC(=O)N1CCC(C)(C#N)CC1 952868304 JGVJYTOFWIHZBW-UHFFFAOYSA-N 327.428 3.120 30 50 EGEA Cn1c([C@H](C#N)C(=O)c2c[nH]nc2-c2ccccc2)nc2ccccc21 193264702 PBUASYNJMUYTFV-CQSZACIVSA-N 341.374 3.453 30 50 EGEA Cc1ccccc1C[C@H]1S/C(=N/N=C/c2cccs2)NC1=O 4898968 HHLDEULGVNOHDE-NGWPFTMJSA-N 329.450 3.221 30 50 EGEA C=C(C)COc1ccccc1C(=O)N[C@@H]1C(=O)Nc2cccc(C)c21 101388315 BIHLBPAIPWWBIP-SFHVURJKSA-N 336.391 3.373 30 50 EGEA C=CCN(Cc1ccccc1C)C(=O)[C@@H](C)Cn1nc(C)nc1C 55053610 MHPMJQBBBBZZBO-HNNXBMFYSA-N 326.444 3.054 30 50 EGEA Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](CN2CCCCC2)C1 120233355 XDOYEANSOSGJLT-KRWDZBQOSA-N 326.444 3.206 30 50 EGEA CCC1(O)CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 253424581 HZMDPPUWWMRMLF-UHFFFAOYSA-N 337.379 3.339 30 50 EGEA COc1ccc(-c2cc(-c3cn(C)nc3C)nc(N)c2C#N)c(C)c1 71764212 ZDSCAUYHKWATGR-UHFFFAOYSA-N 333.395 3.228 30 50 EGEA Cc1ccc(N(CCC#N)C(=O)[C@@H](C)SC2=NCCS2)cc1 125969466 UYZMSTVCXDYUST-CYBMUJFWSA-N 333.482 3.466 30 50 EGEA Cc1ccccc1-c1ncc(-c2c(C#N)c(N)nc3c2COCC3)cn1 71639491 JOEUSAIJYKCXNR-UHFFFAOYSA-N 343.390 3.041 30 50 EGEA N#CC[C@H](CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)C1CC1 20404945 LZAIOJCPPZMFMP-SNVBAGLBSA-N 347.724 3.401 30 50 EGEA C/C(=C\C(=O)Nc1nc(C#N)c(C#N)[nH]1)c1ccccc1C(F)(F)F 743305233 XEWILHQQKKWURR-RMKNXTFCSA-N 345.284 3.214 30 50 EGEA O=S(=O)(N/N=C/c1c[nH]c2ccccc12)c1ccc(Cl)cc1 442081 WBOFMESROCQMFQ-VCHYOVAHSA-N 333.800 3.134 30 50 EGEA Cc1nc(C(O)=Nc2cc(N(C)C)c(Br)cn2)c(C)o1 328598097 JZNZBMFHDJNPKT-UHFFFAOYSA-N 339.193 3.151 30 50 EGEA CCCCCCCCCC[C@H](C(=O)O)[C@@]1(C(=O)O)CCC(=O)O1 67957232 TUXHHVJPGQUPCF-CXAGYDPISA-N 328.405 3.378 30 50 EGEA biogenic,in-vitro Cc1ccoc1/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328634536 UCYLLUCKIAUMGB-JTQLQIEISA-N 327.306 3.371 30 50 EGEA CN1CC[C@@H](C/N=C(/O)Cc2ccc(F)cc2)[C@@H]1c1cccnc1 328629385 OUSQRXGZDHFGBA-LPHOPBHVSA-N 327.403 3.413 30 50 EGEA N#Cc1ccc(F)cc1CN1CCCC[C@@H]1c1nnc2n1CCCC2 159235451 OMNWZIACYKFTCG-QGZVFWFLSA-N 339.418 3.352 30 50 EGEA CCCN1CCC[C@]2(CCN(c3nc(C(C)C)ccc3C#N)C2)C1=O 91745587 VHBSXQNCEBRVGY-HXUWFJFHSA-N 340.471 3.306 30 50 EGEA CCc1nnc(C[C@@H]2CC[C@H](Nc3nccc(C#N)c3Cl)C2)o1 1775957938 UDKHGRRNVBLOHC-PWSUYJOCSA-N 331.807 3.375 30 50 EGEA C=CCOc1ccc(/C=C2\SC(=S)N(CCOC)C2=O)cc1 2674202 JKXMTZHLBRLNRM-KAMYIIQDSA-N 335.450 3.099 30 50 EGEA CC1(C)OCc2cc(C#N)c(N3C[C@]45CCCC[C@]4(COC5)C3)nc21 2325775420 GHJAMHGPSFIPGF-BGYRXZFFSA-N 339.439 3.116 30 50 EGEA Cc1ccccc1-c1nnc(S)n1/N=C/c1ccccc1C(=O)O 4873556 RJQPPRGLBKRMKU-VCHYOVAHSA-N 338.392 3.123 30 50 EGEA C=C(C)COc1ccccc1C(=O)N1CCC[C@H](C(=O)OCC)C1 55196921 OAYKMTMMSUZTQR-HNNXBMFYSA-N 331.412 3.057 30 50 EGEA COC(=O)CCc1nc2c(C#N)c(-c3ccc(Cl)cc3)ccn2n1 1399544 ARPKTWBJNXKZLT-UHFFFAOYSA-N 340.770 3.027 30 50 EGEA N#Cc1c(N)nc2c(c1-c1ccc(-n3cccn3)cc1)N1CCC2CC1 101954966 UJPHTVXTDXUCBM-UHFFFAOYSA-N 342.406 3.086 30 50 EGEA C=C(C)COc1cccc(CN(CCOC)C2CCN(C)CC2)c1 55415119 JRUVLTASOKSJRI-UHFFFAOYSA-N 332.488 3.184 30 50 EGEA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C2)c1 77341884 VGTZLBUNEHNELA-MRXNPFEDSA-N 336.391 3.205 30 50 EGEA C#C[C@@H](NC(=O)c1ccc2nc(O)n(C3CC3)c2c1)c1ccccc1 1299870196 ZWERMPNPSZHRSU-MRXNPFEDSA-N 331.375 3.181 30 50 EGEA COc1ccc(C(=O)O/N=C(\N)Cc2ccc(Cl)cc2)c(OC)c1 4191548 AQLPPRUBMNWCRY-UHFFFAOYSA-N 348.786 3.029 30 50 EGEA Cc1noc([C@@H](/N=C(/O)c2ccc3cc[nH]c3c2)C2CCOCC2)n1 328613114 QTWXBXWLGJZTIK-INIZCTEOSA-N 340.383 3.332 30 50 EGEA C#CCCC1(CCC(=O)N(Cc2ccccc2)Cc2cc[nH]n2)N=N1 2325892696 XKIFVTPCJZLCLD-UHFFFAOYSA-N 335.411 3.294 30 50 EGEA Cc1nc(CC(C)C)c(N=C(O)N2CCC[C@@H]2CCCO)s1 331344124 UQCJMZRTMZTAMQ-CYBMUJFWSA-N 325.478 3.432 30 50 EGEA C=CCN(CC=C)C(=O)[C@@]1(C)CC1(Br)Br 2770721 OVASDGHEJYVBFT-SNVBAGLBSA-N 337.055 3.083 30 50 EGEA COc1ccc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2C)c(C)c1 71289689 HTPUVHFWPQNAKD-PXAZEXFGSA-N 334.423 3.211 30 50 EGEA CN(CCc1ccccc1)[C@H]1CCCN(C(=O)C#Cc2ccccc2)C1 12431697 NLIVDXPYBQRZTN-QFIPXVFZSA-N 346.474 3.204 30 50 EGEA COc1ccc2ccccc2c1[C@H]1NC(=S)NC(C)=C1C(C)=O 2475973 NLSCWBJYYSFMBG-KRWDZBQOSA-N 326.421 3.230 30 50 EGEA CC(C)[C@H](/C(O)=N/C1CCN(c2nccn2C)CC1)c1cccnc1 328709059 BFVRJDYHKHPTCU-KRWDZBQOSA-N 341.459 3.180 30 50 EGEA N#Cc1cc(Cl)ccc1CN1CCC(OC[C@@H]2CCOC2)CC1 364366977 VXJPNBBZODJKJL-CQSZACIVSA-N 334.847 3.229 30 50 EGEA N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 333685872 LWMVKNVRQKNMRZ-BBRMVZONSA-N 336.844 3.021 30 50 EGEA COc1ccc2[nH]cc(CCNC(=O)c3ccc(N=[N+]=[N-])nc3)c2c1 334159263 LBCFKFSAVTZTJV-UHFFFAOYSA-N 336.355 3.486 30 50 EGEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc3ccccc13)[C@H]1C=C[C@H]2C12CC2 245226880 QHKWURCCXMUFLW-XMTRHDODSA-N 342.398 3.371 30 50 EGEA O=C(C[C@H]1CCCC[C@@H]1O)NCC#Cc1ccc(C(F)(F)F)cc1 281047719 XDEHFGLCOKWVGH-ZBFHGGJFSA-N 339.357 3.114 30 50 EGEA CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)cc1OCC 4915078 WJKWQLXCTIOPAT-ZDUSSCGKSA-N 329.396 3.095 30 50 EGEA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C[C@H](C#N)CCC#N)C1 343747316 KZBYXVVXYOCJFT-STQMWFEESA-N 339.365 3.062 30 50 EGEA C#CCOc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cc1 173901245 UEDDYGXWDIAJBK-INIZCTEOSA-N 329.359 3.075 30 50 EGEA CCN(CC)c1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1 5808342 RWABKCTVSRVHKA-OQKWZONESA-N 337.471 3.084 30 50 EGEA C=C(C)CNc1ccc(C(=O)N2CCN(C(C)C)[C@@H](CC)C2)cn1 12429790 RWYSMSSHZOURRT-KRWDZBQOSA-N 330.476 3.014 30 50 EGEA Cc1nnc([C@]23CCC[C@H]2CN(c2ccc(Cl)cc2C#N)C3)o1 912372037 CFOWBZFZIWSBGY-GUYCJALGSA-N 328.803 3.461 30 50 EGEA Cc1cccc(CN=C2NC[C@H]3CC[C@@H](C)CN23)c1Br 2325864023 DPGDXNWETWWYLC-BXUZGUMPSA-N 336.277 3.317 30 50 EGEA COc1ccc(-c2cc(CCSC)c(C#N)c(N)n2)cc1OC 67676459 IJRVQNFWHDTOPP-UHFFFAOYSA-N 329.425 3.125 30 50 EGEA CCN(Cc1ccccn1)/C(O)=N/[C@H]1CCc2cnn(C(C)C)c2C1 328588281 AVDSRNLCEZVDTE-INIZCTEOSA-N 341.459 3.152 30 50 EGEA Cc1cc2c(cc1-c1cc(-c3ccc[nH]3)nc(N)c1C#N)OCCO2 71763666 UOBHSDHTEBKRGJ-UHFFFAOYSA-N 332.363 3.277 30 50 EGEA CCc1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)oc1CC 128872087 NTEIQYPXHTWMNV-CYBMUJFWSA-N 326.400 3.212 30 50 EGEA C#Cc1cccc(N(C(=O)Cc2ccc3c(c2)NC(=O)C3)C(C)C)c1 182599822 CCDBFQATBSVJGE-UHFFFAOYSA-N 332.403 3.147 30 50 EGEA CC(C)(C)OC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 689671438 PKXYEBQLYCHGAG-UHFFFAOYSA-N 339.266 3.072 30 50 EGEA N#Cc1ccc(N2CCC[C@@H]2c2ccc(N)nn2)cc1C(F)(F)F 886086342 SXWIIHXTQBKOIU-CQSZACIVSA-N 333.317 3.291 30 50 EGEA CC(C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F 169978300 ILSFYCBFQZKMJN-UHFFFAOYSA-N 331.143 3.187 30 50 EGEA in-vitro Cc1cc(N[C@H](C)C(=O)NC(C)(C)C)n2c(nc3ccccc32)c1C#N 170605748 XHPFVYRMJBDDIN-CYBMUJFWSA-N 349.438 3.383 30 50 EGEA C=C(C)CN1CCC(NC(=O)N2CCC(c3ccncc3)CC2)CC1 192385995 DTEIVHAHZDEPTI-UHFFFAOYSA-N 342.487 3.011 30 50 EGEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccc(O)c2)cc1 1250132 ZDPYAXBRLKWXKA-LICLKQGHSA-N 326.381 3.204 30 50 EGEA Cc1nn(C)c(C)c1[C@@H](C)/C(O)=N/Cc1nnc(C2CC2)n1C1CC1 329849886 NVTSJWDJTSSMCO-SNVBAGLBSA-N 342.447 3.101 30 50 EGEA Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c2[nH]cc(C#N)c12 8704 LWGUASZLXHYWIV-UHFFFAOYSA-N 336.376 3.020 30 50 EGEA investigational N#Cc1nc(-c2cccs2)oc1S(=O)(=O)Cc1ccccc1 170623874 WTLRAXSBPMCNNQ-UHFFFAOYSA-N 330.390 3.249 30 50 EGEA COc1ccccc1[C@H](C#N)NC(=O)c1cccnc1C(F)(F)F 170608861 QAXXVTNLCQPCCM-LBPRGKRZSA-N 335.285 3.104 30 50 EGEA COc1ccc2[nH]c(C(=O)N[C@H](C#N)c3ccccc3OC)cc2c1 170605028 ZYENRUVGLIFSPK-QGZVFWFLSA-N 335.363 3.180 30 50 EGEA COc1ccc(/C(C)=N\N2CCN(c3ccccc3OC)CC2)cc1 230049 NAHFLEZXDIVQIA-PGMHBOJBSA-N 339.439 3.250 30 50 EGEA C=CCN1C(=O)S/C(=C/c2cc(Cl)cc(OC)c2O)C1=O 1132738 HBSWTWXEPSMTIP-IZZDOVSWSA-N 325.773 3.277 30 50 EGEA Cc1cc(/C(O)=N/[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c(C)o1 82138167 HPDUKLAIVGLGIH-MRXNPFEDSA-N 326.352 3.378 30 50 EGEA biogenic N#CCC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl 225397333 MUAPHVZDKIKGMG-CYBMUJFWSA-N 340.210 3.227 30 50 EGEA C=CCOc1ccc2c(c1)NC(=O)C[C@@H]2c1cnc(NCCC)nc1 65528078 TWNKHIMXZXXHGL-MRXNPFEDSA-N 338.411 3.337 30 50 EGEA C#CCCC1(CCC(=O)NCC23C[C@@H]4C[C@H](C2)CC(OC)(C4)C3)N=N1 1875382072 PRXNGBKMAXRTHZ-CCZBSFLLSA-N 343.471 3.444 30 50 EGEA CC1(C)OB(c2ccc(F)c(C(=O)Nc3ccccc3)c2)OC1(C)C 1772572689 MHMKEKYXQOZEKZ-UHFFFAOYSA-N 341.191 3.377 30 50 EGEA CCSC1=N/C(=C\c2ccc(OC(C)=O)c(OC)c2)C(=O)S1 4755440 GDZODYYJAIOZCZ-XFFZJAGNSA-N 337.422 3.344 30 50 EGEA OC(=Nc1cccc(-c2noc(C3CC3)n2)c1)[C@H]1C[C@H]1c1nc[nH]n1 328588480 PZFJFXMBWSGMKY-OLZOCXBDSA-N 336.355 3.124 30 50 EGEA Cc1cc(C)c(C#N)c(N2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)n1 77389469 VLBRUDCEZJNNQP-HXUWFJFHSA-N 340.471 3.188 30 50 EGEA N#Cc1ccc(F)cc1CN1CCOC[C@@H]1C[C@@H](O)c1cccs1 161524510 AFSWUAVETVAWPY-DLBZAZTESA-N 346.427 3.083 30 50 EGEA C#CCCC1(CCC(=O)N2CCN(c3cccc(F)c3)C[C@@H]2C)N=N1 952879143 AJWJDFBWCCMZRC-HNNXBMFYSA-N 342.418 3.219 30 50 EGEA N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CC[C@H]3C3CC3)CC2)c(F)c1 1875255875 FLWBAWIBPBBPDM-FUHWJXTLSA-N 341.430 3.219 30 50 EGEA Cc1nc(NC(=O)c2ccc(C#N)cc2F)ccc1Br 4841695 OIFUWVJSAVAAAO-UHFFFAOYSA-N 334.148 3.416 30 50 EGEA N#Cc1ccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1 328587961 KOOUTVZBODIXOX-UHFFFAOYSA-N 349.346 3.102 30 50 EGEA O=S1(=O)CCC[C@H](/N=C(/O)C2(Cc3cccc(F)c3)CCC2)C1 330073961 KWSJPNKGPGVHRG-HNNXBMFYSA-N 339.432 3.072 30 50 EGEA CCn1cc(CN2CCC[C@H](C(=O)Cc3ccccc3)C2)cc1C#N 72424568 MGGVARJQTPZNEN-IBGZPJMESA-N 335.451 3.403 30 50 EGEA C#CCCC1(CCC(=O)N2Cc3ccc(OC)cc3C3(CC3)C2)N=N1 952879192 BFJQFYPNDIXTFQ-UHFFFAOYSA-N 337.423 3.425 30 50 EGEA C[C@@H](CC#N)N(C)C[C@@](O)(c1ccc(Br)cc1)C(F)F 1875275588 AASAUFAKXYZZJK-IINYFYTJSA-N 347.203 3.136 30 50 EGEA C=CCOC(=O)Cn1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 5318099 KDHVPRNQTAURFV-UHFFFAOYSA-N 337.335 3.341 30 50 EGEA Cc1cccc(C[C@H]2S/C(=N/N=C/c3ccccc3C)NC2=O)c1 16134316 FMKCKTDIZYSMJI-XNHPLOEXSA-N 337.448 3.468 30 50 EGEA CN(C)CCc1ccc(C(=O)NC2(c3cccc(C#N)c3)CC2)cc1 328597682 IQHJERWNWUUQSX-UHFFFAOYSA-N 333.435 3.081 30 50 EGEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(F)c(F)c1 71775511 YKBPIIGUKXZZFX-UHFFFAOYSA-N 325.322 3.190 30 50 EGEA C[C@H](c1ccc(C#N)cc1)N1CCO[C@@H](c2nc(C(C)(C)C)n[nH]2)C1 229300892 LJWDFRSMRBMWJE-CZUORRHYSA-N 339.443 3.108 30 50 EGEA CC[C@@H](C)/N=C/c1c(NCc2ccco2)nc2c(C)cccn2c1=O 13139093 WUPHGRKJEJGDKR-MQMKENTISA-N 338.411 3.425 30 50 EGEA CCC1=C[C@@H]2C(=O)C(c3ccc(F)cc3)=CO[C@H]2C(CN(C)C)=C1O 22258454 XKWDSTQZFSKVBP-FOIQADDNSA-N 343.398 3.474 30 50 EGEA Cc1ccc(N=C(O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c(C)n1 328611036 KCJPSCPQSFDAEK-YOEHRIQHSA-N 328.416 3.415 30 50 EGEA C/C(=N/NS(=O)(=O)c1ccc(CC(C)C)cc1)c1ccccc1O 17072131 RWDWQJKAQZPYAB-RGEXLXHISA-N 346.452 3.293 30 50 EGEA Cc1nn(-c2ccccc2)c(O)c1/C=N/Nc1ccc([N+](=O)[O-])cc1 4018096 KUXWLNJLTHELNO-WOJGMQOQSA-N 337.339 3.241 30 50 EGEA Cc1ccc(S(=O)(=O)CCSc2nc(C)cc(C)c2C#N)cc1 470642 ABSLNFJKZQBBAX-UHFFFAOYSA-N 346.477 3.445 30 50 EGEA CCOc1c(OC)cccc1[C@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 4488908 QUKCNDHDBPUENQ-CYBMUJFWSA-N 343.423 3.341 30 50 EGEA N#Cc1cccnc1N1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 67757086 DZYWGLQVADDMPZ-LJQANCHMSA-N 341.842 3.428 30 50 EGEA Cc1nc(/N=C(\N)Nc2ccc(Oc3ccccc3)cc2)[nH]c(=O)c1C 20028221 WRCZTSNNUMHNIC-UHFFFAOYSA-N 349.394 3.237 30 50 EGEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/C(O)=N/CCc1cccs1 328613381 RVHNGVBYDFOQOU-HOCLYGCPSA-N 333.457 3.375 30 50 EGEA Cc1nnc([C@@H]2CN(C(O)=Nc3csc4ccccc34)CCO2)o1 328623698 JHQJCGCNJPHMSL-ZDUSSCGKSA-N 344.396 3.212 30 50 EGEA CC(C)SCCNC(=O)c1cccc(-c2ccc(C#N)nc2)c1 426470865 ORQZOVTYPBFVBY-UHFFFAOYSA-N 325.437 3.492 30 50 EGEA N#Cc1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)cc1 91987299 BRLQZUVBXXNGPF-LEWJYISDSA-N 345.446 3.181 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)N=N1 952881021 NJCDUEKHGLWDIL-SJORKVTESA-N 325.412 3.379 30 50 EGEA COC[C@H](C)N(Cc1cccc(F)c1)C(=O)c1ccc(C#N)cc1 952986787 FRLXLHLUEKIASL-AWEZNQCLSA-N 326.371 3.375 30 50 EGEA Cc1nnc([C@H]2CC23CCN(Cc2cc(C#N)ccc2F)CC3)o1 370823042 PSFGWZWMMCCTAG-OAHLLOKOSA-N 326.375 3.159 30 50 EGEA C=CCOc1ccc2nnc(-c3ccc(Br)cc3)n2n1 3667874 VTCDMGYXFIYJOJ-UHFFFAOYSA-N 331.173 3.119 30 50 EGEA C#CCSc1nc2ccccc2n1C(=O)c1ccc2c(c1)OCO2 8643089 CKBAFXACQYXSSV-UHFFFAOYSA-N 336.372 3.179 30 50 EGEA N#Cc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(F)cc2)cc1 36357283 UVZXADANCTXZGR-INIZCTEOSA-N 332.338 3.357 30 50 EGEA COc1ccc(/C=C2\SC(=S)NC2=O)cc1C#C[Si](C)(C)C 210454141 JHFDWHHUUUMRLK-UVTDQMKNSA-N 347.537 3.413 30 50 EGEA CC(C)(C)OC(=O)CCSCC(=O)Nc1sccc1C#N 241124204 JGINZMLZBXSWNM-UHFFFAOYSA-N 326.443 3.023 30 50 EGEA CC(C)c1nccc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)n1 426531516 BBHWXAGBQUPZRV-UHFFFAOYSA-N 334.423 3.298 30 50 EGEA N#CCCCOc1cccnc1NC(=O)NC1Cc2ccccc2C1 188762669 VLHIRZCVCXAPHX-UHFFFAOYSA-N 336.395 3.053 30 50 EGEA O=C(/C=C\c1ccccc1)/C=C1/Nc2ccc([N+](=O)[O-])cc2OC1=O 5061297 JTXVFZKNMFPVBU-GEVRQCGLSA-N 336.303 3.092 30 50 EGEA O=C(/C=C/c1ccc(I)o1)c1ccncc1 5263572 DLNDQZCGGQDJGL-HNQUOIGGSA-N 325.105 3.175 30 50 EGEA CCOc1cc(Br)c(Br)c(/C=N/O)c1O 20154466 GZPPIISDFUFKGZ-UUILKARUSA-N 338.983 3.124 30 50 EGEA Cc1ccccc1N1CCN(Cc2cc(C#CCO)cs2)[C@H](C)C1 65393659 CAFPEFOKPLFBPS-QGZVFWFLSA-N 340.492 3.111 30 50 EGEA N#CC1(CCCN2CC[C@@H](c3ccccc3)[C@@H](CO)C2)CCOCC1 375690689 UXVMSBHSPUIZJV-UXHICEINSA-N 342.483 3.185 30 50 EGEA N#Cc1ccc(NC(=O)[C@H](Sc2cnn[nH]2)c2ccccc2)cc1 1772491205 MNFVKNOIIODOPA-MRXNPFEDSA-N 335.392 3.148 30 50 EGEA C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)[C@H](C)CC(=O)O 390834864 JLKVYKGJSWVYPZ-NVQFYFQMSA-N 338.320 3.038 30 50 EGEA CC(C)(C(=O)Nc1ccc(OCCCO)cc1)c1cccc(C#N)c1 253418752 YYPMWMFWRWKZOS-UHFFFAOYSA-N 338.407 3.236 30 50 EGEA N#Cc1c(Br)ccc(I)c1F 136861129 NOAFPTRNLAQJNL-UHFFFAOYSA-N 325.906 3.064 30 50 EGEA CC(C)Cn1c(CN2CCCn3nc(C#N)cc3C2)nc2ccccc21 826805689 QJQPQWAUSQEWOR-UHFFFAOYSA-N 348.454 3.166 30 50 EGEA OCC#Cc1csc(CN2CCC([C@@H](O)c3cccs3)CC2)c1 952982638 QYRCKFULZWQORN-GOSISDBHSA-N 347.505 3.099 30 50 EGEA C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccnc3)c2C)C1=O 1149378 ACLCYWLQMVIFEV-MHWRWJLKSA-N 337.404 3.159 30 50 EGEA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N/Nc1ccccc1C 18143248 LAXHHVNLBQUZCR-KNTRCKAVSA-N 337.339 3.094 30 50 EGEA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)Nc1ccc(CC#N)cc1Cl 408519933 UHRQHQUYTGKXDS-CQSZACIVSA-N 349.818 3.354 30 50 EGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1 196641 JYXNWRVDKRYTIA-CQSZACIVSA-N 347.798 3.194 30 50 EGEA Cc1nc(CC/N=C(/O)C2CCN([C@H]3CCSC3)CC2)cs1 328592658 XJSXIPNDILPWEY-HNNXBMFYSA-N 339.530 3.168 30 50 EGEA Cc1nn(C)c2nc(N3CCC(C#N)(c4ccccc4)CC3)sc12 95525005 OHKBKCOUFSFOGB-UHFFFAOYSA-N 337.452 3.400 30 50 EGEA Cc1cc(-c2cc(-c3cccc(OCCO)c3)c(C#N)c(N)n2)c(C)o1 67788043 KTONSPNTCDQQNK-UHFFFAOYSA-N 349.390 3.450 30 50 EGEA CC(C)(C#N)CC(=O)N=[S@@](C)(=O)c1ccccc1Br 952878324 CJQDGBHDVRYVRQ-IBGZPJMESA-N 343.246 3.372 30 50 EGEA C/C(=N\Nc1nnc2c(n1)[nH]c1ccc(C)cc12)c1ccccc1O 15018409 CTLICLFOUPAIPJ-SRZZPIQSSA-N 332.367 3.356 30 50 EGEA N#Cc1ccc(N2CCO[C@H](c3ccccc3Br)C2)cn1 241139468 JREGGYYYVUSBLY-INIZCTEOSA-N 344.212 3.294 30 50 EGEA Cc1nc(S(=O)(=O)N(C)C2CCCCC2)c(C#N)c(C)c1Cl 6668703 IODXUDLEOHUZQT-UHFFFAOYSA-N 341.864 3.177 30 50 EGEA CC(C)(C)O[C@H]1C[C@@H](CO/N=C/c2ccc(-n3cncn3)cc2)C1 2325772442 VBUBUERYHMQFDM-FUGMESBNSA-N 328.416 3.212 30 50 EGEA N#Cc1c(NC(=O)c2cccc(-n3cnnc3)c2)sc2c1CCCC2 6701875 QJWDANDAFJKIQJ-UHFFFAOYSA-N 349.419 3.332 30 50 EGEA N#Cc1cc([N+](=O)[O-])ccc1NCc1noc(-c2cccs2)n1 225647515 QSMATQVEJVPKNQ-UHFFFAOYSA-N 327.325 3.190 30 50 EGEA C=C(C)COc1ccc(C(=O)NCCc2cn3ccccc3n2)cc1 55053095 MUSBNIVMDVBSIS-UHFFFAOYSA-N 335.407 3.262 30 50 EGEA C#CCCC1(CCC(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)N=N1 952879748 HCESQUXSKTTWNM-CYBMUJFWSA-N 338.411 3.104 30 50 EGEA C#CCCC1(CCC(=O)N2CCC[C@@H](CN3CCCCCC3)C2)N=N1 952880643 HGTJOMYBUKBYNV-SFHVURJKSA-N 344.503 3.457 30 50 EGEA CCOc1cccc(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 1776007498 HAEFAWXISWUGRP-HNNXBMFYSA-N 345.248 3.394 30 50 EGEA CC[C@@H](c1cccnc1)N(C)C(=O)c1cccc(C#CC(C)(C)O)c1 1506402119 UMDCNJQAWSARCQ-IBGZPJMESA-N 336.435 3.427 30 50 EGEA CNc1nc(Nc2cn(C(C)(C)C#N)nc2C)ncc1C(F)(F)F 103260600 ZPPUMAMZIMPJGP-UHFFFAOYSA-N 339.325 3.044 30 50 EGEA in-vitro C[C@@H](Cc1ccccc1)/C(O)=N/[C@H]1CCCO[C@@H]1c1cnn(C)c1 328630832 QGINKZSIMMYDAG-JCGIZDLHSA-N 327.428 3.476 30 50 EGEA Cc1ncc(-c2cc(-c3c[nH]c4ccccc34)nc(N)c2C#N)n1C 71661451 JTMWMSCNVJSGIR-UHFFFAOYSA-N 328.379 3.393 30 50 EGEA CC(C)(C)OC(=O)Nc1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1 238791288 ZKCKGRGTRIFFMP-UHFFFAOYSA-N 337.200 3.472 30 50 EGEA C#CCCC1(CCNC(=O)c2cc(F)cc3nc(C)c(C)nc23)N=N1 1875368802 QXVMCYOIWCYPNP-UHFFFAOYSA-N 339.374 3.081 30 50 EGEA C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(F)cc1C#N 193744572 UQTCXSFRWSXPJC-LBPRGKRZSA-N 331.391 3.111 30 50 EGEA COc1ccc(/C=N/n2c(-c3ccco3)n[nH]c2=S)cc1OC 5911149 IMODQSYJEGODHQ-CXUHLZMHSA-N 330.369 3.100 30 50 EGEA Oc1ccccc1N1CCN(/C(S)=N\CCc2ccccc2)CC1 8682785 SVYNDOHPTDCHFN-UHFFFAOYSA-N 341.480 3.043 30 50 EGEA C=CCN(Cc1ccc(C)s1)C(=O)C[C@H]1CN(C(C)C)CCO1 55042719 DVWKFALIRYNFNL-INIZCTEOSA-N 336.501 3.070 30 50 EGEA COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2C#N)CC(=O)N3)cc1 65405268 ZFUMMTNFKBAOCL-MRXNPFEDSA-N 344.374 3.431 30 50 EGEA O/C(=N\c1nc(-c2ccccc2F)n[nH]1)N1CCc2sccc2C1 23619729 GZOZCVFCSNSABI-UHFFFAOYSA-N 343.387 3.276 30 50 EGEA C=C[C@@](C)(O)c1cn(Cc2nc3c(s2)C(C)(C)CC(C)(C)C3)nn1 900593267 LNEMBMJBAGOQRT-GOSISDBHSA-N 346.500 3.426 30 50 EGEA Cc1nc2c(s1)CCC[C@@H]2CN(C)/C(O)=N/[C@H](C)[C@@H]1CCCO1 328639681 WZBOGTCVJHSHIU-BNOWGMLFSA-N 337.489 3.285 30 50 EGEA Cc1ccc(S(=O)(=O)N/N=C2\[C@H]3C=C/C=C/[C@@H](C=C3)[C@H]2C)cc1 257346511 NJKAGWLHGKJNOV-JDXKNQPTSA-N 328.437 3.194 30 50 EGEA N#C[C@@H](NC(=O)c1ccn2ccnc2c1)c1ccc2ccccc2c1 1875365147 OBXBMGHBNFWTJF-GOSISDBHSA-N 326.359 3.482 30 50 EGEA O=C1N/C(=N\c2ccccc2)S[C@H]1Cc1cccc([N+](=O)[O-])c1 16956638 YWAGAWNYNWPBQU-AWEZNQCLSA-N 327.365 3.057 30 50 EGEA CC(C)N(CC#CC[C@](O)(c1ccccc1)C1CCCC1)CCO 1813256 XUPWMFVPLKVQOJ-NRFANRHFSA-N 329.484 3.161 30 50 EGEA COCc1cc(C)nc(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)c1C#N 10231432 CPJHTNHRWKQNCZ-STQMWFEESA-N 347.484 3.005 30 50 EGEA C=CCN(Cc1cccc(OC)c1)C(=O)c1cnc(NC(C)C)nc1 55368543 NXCWYAURXXHHLI-UHFFFAOYSA-N 340.427 3.134 30 50 EGEA COc1ccc(-c2cc(-c3ccc(CO)o3)c(C#N)c(N)n2)c(F)c1 67840818 KXOZOMWMCGINRY-UHFFFAOYSA-N 339.326 3.102 30 50 EGEA CC(C)(C)C(=O)NCC[C@H]1CCCN(Cc2ccccc2C#N)C1 67966494 UENXZLVZAAOGFG-MRXNPFEDSA-N 327.472 3.323 30 50 EGEA C=CCc1cc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)ccc1O 71479667 CIYDBDFHNRCFBN-UHFFFAOYSA-N 345.406 3.346 30 50 EGEA CC(C)(C)OC(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 238791286 OSYJIDYCYMRPMC-UHFFFAOYSA-N 337.200 3.472 30 50 EGEA C=CCOc1cccc(C(=O)N2CCN(CC3CCCC3)CC2)c1 820494484 BFXUKHMCVOYDTH-UHFFFAOYSA-N 328.456 3.199 30 50 EGEA C#CCCC1(CCC(=O)N2CCOC[C@@H]2c2cccc(F)c2)N=N1 952879555 FKOMTEUZMAXJOS-MRXNPFEDSA-N 329.375 3.081 30 50 EGEA C#C[C@H](C)Oc1ccc(COC(=O)c2cccc(-n3ccnc3)n2)cc1 170617245 VWTNFEHDZJDJLK-HNNXBMFYSA-N 347.374 3.025 30 50 EGEA COc1cc(C(=O)Nc2ccc(CC#N)cc2)cc(OC)c1OC 93999 VQMDOFYBKQXHRU-UHFFFAOYSA-N 326.352 3.031 30 50 EGEA biogenic C=CCN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(C)c2ccccc21 233538 YITKMVZUCLEHOZ-IDPGXWOASA-N 329.399 3.239 30 50 EGEA Cc1cnn([C@@H](C)C2CC2)c1NC(=O)c1ccc(C#CC(C)(C)O)o1 55228641 AMVZZZLAJWQEHD-ZDUSSCGKSA-N 341.411 3.130 30 50 EGEA CCC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC(F)(F)F 170007393 BPQQVZUYBKXOOG-UHFFFAOYSA-N 344.138 3.477 30 50 EGEA Cc1cscc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 175814107 ALQXEVBQMOXCTQ-KRWDZBQOSA-N 325.437 3.079 30 50 EGEA N#Cc1ccc(C[C@H](C#N)C(=O)N2CCCc3ccc(F)cc32)cc1 408515284 WKLVUNLHTMEDQD-QGZVFWFLSA-N 333.366 3.359 30 50 EGEA C/C(=N\NS(=O)(=O)c1ccc(C)cc1)[C@H]1C[C@H]1c1ccccc1 256272103 CYTXZSSGRJWZNE-UUQGSQHFSA-N 328.437 3.453 30 50 EGEA C#CCN(CC=C)Cc1nc(-c2cc(OC)ccc2OC)oc1C 20999731 XRKSPAUHRZFCJU-UHFFFAOYSA-N 326.396 3.288 30 50 EGEA CN(Cc1ccc2nonc2c1)Cc1ccc(C#CC(C)(C)O)s1 823709198 FSYRIXZWOSMIRG-UHFFFAOYSA-N 341.436 3.039 30 50 EGEA Cc1ncc(NC(=O)c2ccc(F)c(C#N)c2)n1CC(F)(F)F 1875357529 KRESDDQSLZGOQG-UHFFFAOYSA-N 326.253 3.017 30 50 EGEA COc1ccc(C#N)cc1CN1CCC2(CC1)C[C@@H]2c1nnc(C)o1 363522255 NZYCYQSHULPMCV-MRXNPFEDSA-N 338.411 3.028 30 50 EGEA C#CCCC1(CCC(=O)Nc2cc(C)c(OCC(=O)O)c(C)c2)N=N1 2325901256 ZTDJRSCBBZSURA-UHFFFAOYSA-N 343.383 3.061 30 50 EGEA CC1(C)CC(=O)C(=CNCc2ccccc2Br)C(=O)C1 100445078 FOHBUVJUAMVMFB-UHFFFAOYSA-N 336.229 3.381 30 50 EGEA C=CCN(Cc1ccccn1)C(=O)CC(=O)Nc1cc(C)ccc1C 65466953 GWXCKXKOMKRKCR-UHFFFAOYSA-N 337.423 3.242 30 50 EGEA COCCCn1nccc1[C@H]1OCC[C@@H]1/C(O)=N/Cc1ccsc1 328607160 UYBKRJRBFYSKSU-HOCLYGCPSA-N 349.456 3.215 30 50 EGEA N#Cc1ccccc1CN1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 91849229 NISUNRFURXSHCO-HNAYVOBHSA-N 338.480 3.111 30 50 EGEA CC(C)Oc1ccc(NC(=O)N2CCCc3n[nH]cc32)cc1C#N 878983176 ICHQGJWHMONRCA-UHFFFAOYSA-N 325.372 3.053 30 50 EGEA C=CCS(=O)(=O)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 14948273 NZRXBJMUCYDZFJ-ZDUSSCGKSA-N 329.412 3.125 30 50 EGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 19300864 UISSLKINORBWCP-KRWDZBQOSA-N 340.423 3.249 30 50 EGEA COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC 4416166 UHJQUDOUGDSPCS-ZZXKWVIFSA-N 326.348 3.371 30 50 EGEA CN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 4993481 NPLLYLBIWKSOLX-UHFFFAOYSA-N 343.235 3.348 30 50 EGEA CC(=O)C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccc(Cl)cc1 79396 SHPLLJHOSVXHSP-HNNXBMFYSA-N 328.755 3.224 30 50 EGEA CC(C)c1cccc([C@H](C)NCc2cc(O)n3ncc(C#N)c3n2)c1 2325771858 WIXXADURLYRWHG-ZDUSSCGKSA-N 335.411 3.281 30 50 EGEA C=CCN1C[C@H](C(=O)N(CCCC)Cc2ccsc2)CCC1=O 55413411 DCQLHYMLOZRXIA-MRXNPFEDSA-N 334.485 3.301 30 50 EGEA COc1ccccc1/C=C/C(=O)c1ccc(N2C(=O)C=CC2=O)cc1 74941607 FCHKSCAPVKSLLS-DHZHZOJOSA-N 333.343 3.021 30 50 EGEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2ccnc3ccccc23)C1 328610625 IQJSUWRNMAAYFN-GOSISDBHSA-N 337.383 3.008 30 50 EGEA Cc1nc(NC[C@@H]2CCCO[C@H]2c2nccn2C)c(Cl)cc1C#N 858008336 MXFLFGUOAWZBJJ-SWLSCSKDSA-N 345.834 3.228 30 50 EGEA C#CCCC1(CCC(=O)NC[C@H]2CC[C@H](Oc3ccncc3)C2)N=N1 2325899528 JBJKZHVHNOZGAO-RDJZCZTQSA-N 340.427 3.101 30 50 EGEA CC(C)(C)OC(=O)N1CCC(/N=C(/O)N2C[C@H]3CCCC[C@H]32)CC1 328593898 XGNAMIXWFUSOKC-UKRRQHHQSA-N 337.464 3.174 30 50 EGEA COc1ccccc1COC1CCN(c2nccc(C)c2C#N)CC1 253426780 PHSUGGKHUZQHEC-UHFFFAOYSA-N 337.423 3.456 30 50 EGEA N#C[C@@H](c1ccccc1)C1CCN(c2cccc(F)c2C(N)=O)CC1 1875287883 FBXRMBSMOYFNEG-INIZCTEOSA-N 337.398 3.448 30 50 EGEA N#Cc1ccncc1C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 411060888 HYMZNIUFPNEXSC-KRWDZBQOSA-N 331.379 3.197 30 50 EGEA CC(=O)N(C1CCC1)[C@H]1CCCN(Cc2ccc(C#N)s2)CC1 328630762 JTDXXQSCMWOWHY-INIZCTEOSA-N 331.485 3.375 30 50 EGEA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)CC(C)(C)CCC#N 328629029 HUKQALRFDNZPCZ-GJZGRUSLSA-N 338.496 3.317 30 50 EGEA Cc1nnc(N=C(O)[C@H]2C[C@@]23CC(C)(C)Oc2ccccc23)n1C 328605948 PVYCKZUIROWQMU-ACJLOTCBSA-N 326.400 3.231 30 50 EGEA C[C@@H]1OCC[C@]1(C)/N=C(/O)C1CCN(c2ccc(C#N)cc2F)CC1 329081471 DBRJBCYBBGWRGE-DJJJIMSYSA-N 345.418 3.438 30 50 EGEA C=CCc1cccc(OC)c1OCCn1cnc2ccccc2c1=O 4845448 HOEHSPGAUUQZBQ-UHFFFAOYSA-N 336.391 3.213 30 50 EGEA CN(Cc1cc(C#N)cs1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328626491 FDDPUBHUUDCILB-WMZOPIPTSA-N 326.469 3.140 30 50 EGEA Cc1cc(N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)ncc1[N+](=O)[O-] 952993571 ZCFCVTRRFXDIMF-UHFFFAOYSA-N 347.224 3.361 30 50 EGEA CCc1ccc(/N=C2\N=C(O)C[C@@H](C(=O)Nc3ccccc3)N2)cc1 528212 ZSCQPJRVOGHKQX-INIZCTEOSA-N 336.395 3.194 30 50 EGEA C=CCc1cc(C(=O)N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)ccc1OC 1529103643 GEPDHXPDXDCAQA-USTZCAOPSA-N 329.440 3.045 30 50 EGEA CC[C@H]1S/C(=N/N=C(/C)c2ccc(Br)cc2)NC1=O 5061370 CSCSIQBUYKBJIC-OUZNOSRWSA-N 340.246 3.171 30 50 EGEA C=CCCC(=O)NC[C@@H]1Cc2c(F)ccc(-c3ccncc3)c2O1 11840226 KRSFAIWPKCJSPY-AWEZNQCLSA-N 326.371 3.274 30 50 EGEA N#Cc1cccnc1N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 302027784 IVFSWKJCOQWFJR-MRXNPFEDSA-N 330.395 3.122 30 50 EGEA CNC(=O)O[C@H]1C=CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O1 33815018 WAFJSVJRYUCSTB-QUCCMNQESA-N 337.375 3.406 30 50 EGEA C=CCn1c(SC[C@@H]2CCCS(=O)(=O)C2)nc2ccccc21 252483682 FGVJVRFRCXDPNS-ZDUSSCGKSA-N 336.482 3.139 30 50 EGEA Cc1noc([C@H](/N=C(/O)CCc2ccc(C)o2)C2CCOCC2)n1 328615202 YBCCAXVPPDHOOW-MRXNPFEDSA-N 333.388 3.336 30 50 EGEA N#Cc1ccc(NC(=S)N2CCN(c3ccccc3F)CC2)cc1 2582319 KKMLDMQVASTLKU-UHFFFAOYSA-N 340.427 3.216 30 50 EGEA N#Cc1ccccc1COc1cc(Br)cc([N+](=O)[O-])c1N 241837538 SKXRWKUFESXQFV-UHFFFAOYSA-N 348.156 3.390 30 50 EGEA C#CCCC1(CCC(=O)Nc2cccc3c2OCC[C@@H]3OC)N=N1 952879902 CDFKJFLPOQEWAY-HNNXBMFYSA-N 327.384 3.451 30 50 EGEA COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100007884 NJXMLQHJFDKLKL-UHFFFAOYSA-N 328.077 3.263 30 50 EGEA in-vitro CCCNC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 405174631 ZEJDAIOYSQNCHL-UHFFFAOYSA-N 338.644 3.171 30 50 EGEA Cc1ccc(CS(=O)(=O)c2oc(-c3ccccc3)nc2C#N)cc1 170623810 FGDAQZZXLAXFEE-UHFFFAOYSA-N 338.388 3.496 30 50 EGEA CN(C(=O)Cc1c(F)ccc(Br)c1F)C1(C#N)CCC1 252484621 GAUSETUQCVLVJJ-UHFFFAOYSA-N 343.171 3.174 30 50 EGEA Cn1cncc1C(O)=Nc1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1 329659449 HSXYHCWQOQFWNA-UHFFFAOYSA-N 325.416 3.247 30 50 EGEA COCc1nc2n(n1)CCC[C@H]2/N=C/c1c(O)ccc2ccccc12 155090761 LXAXQRBAZCUBKW-MBTVCVBTSA-N 336.395 3.237 30 50 EGEA C[C@@H]1CN(c2nccc(C#N)n2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 450538498 GRTUGQQLEOKVQE-ABAIWWIYSA-N 348.328 3.333 30 50 EGEA N#Cc1cc(-c2ccc(C(=O)N3CCCC[C@@H]3CO)cc2)ccc1F 426627885 ZDLMNQMWKMBWQI-GOSISDBHSA-N 338.382 3.351 30 50 EGEA CCc1cc(C#N)ccc1NC(=O)NCc1cncn1CC(C)C 299788432 RZOWWHJPKGXENB-UHFFFAOYSA-N 325.416 3.295 30 50 EGEA Cc1cc(Cl)cc(-c2cnn(C)c2C#N)c1OC1CCNCC1 1875330491 ZSEGYKLXGGPYBW-UHFFFAOYSA-N 330.819 3.051 30 50 EGEA CSc1nc(NCCOC(C)=O)c(C#N)c(-c2ccc(C)cc2)n1 5607436 RBNWMJMTKGVIGE-UHFFFAOYSA-N 342.424 3.021 30 50 EGEA NC(N)=N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 4616872 RFUDSPIIZKGMIK-DNTJNYDQSA-N 337.210 3.180 30 50 EGEA NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(Cl)cc1F 5009276 QJYXAWMHPCWKHL-UHFFFAOYSA-N 342.761 3.072 30 50 EGEA C=CCn1cc(CN[C@H]2CCCN(Cc3ccccc3F)C2)c(C)n1 20598354 MFGJCQSTPJIQAZ-IBGZPJMESA-N 342.462 3.271 30 50 EGEA N#Cc1nc(-c2cccs2)oc1S(=O)(=O)Cc1ccc(F)cc1 170623873 MJARPSHJLIQAKH-UHFFFAOYSA-N 348.380 3.388 30 50 EGEA COc1cnccc1[C@H](C)/N=C(/O)N1CCCC[C@@H]1c1ccnn1C 328587431 RNDITURREORYBC-XJKSGUPXSA-N 343.431 3.026 30 50 EGEA COc1ccc(NC(=S)N/N=C/c2cc(Cl)ccc2O)cc1 2597721 SOEGXIGERJVPHG-RQZCQDPDSA-N 335.816 3.375 30 50 EGEA C#CCCC1(CCC(=O)N(C[C@@H]2Cc3ccccc3O2)C2CC2)N=N1 2325885768 LFSSPUZUNGAEDU-KRWDZBQOSA-N 337.423 3.337 30 50 EGEA N#C[C@@H](C(=O)c1ccc(O[C@H]2CCOC2)cc1)c1nc2ccccc2[nH]1 408515100 NVTNODMEPKKOIN-HOTGVXAUSA-N 347.374 3.221 30 50 EGEA C=CCN1C(=O)/C(=C/c2cc(OC)c(O)cc2Cl)SC1=S 15016606 FEDFYHGNFRTHMO-SDQBBNPISA-N 341.841 3.441 30 50 EGEA C=CCN1C(=O)/C(=C2\SC(=S)N(C(C)C)C2=O)c2ccccc21 2277401 XZYACRUWRVJQDG-YPKPFQOOSA-N 344.461 3.199 30 50 EGEA Oc1ccccc1/C=N/n1c(S)nnc1-c1ccc(Cl)cc1 4898088 HCYHYCYKYZJWRG-RQZCQDPDSA-N 330.800 3.475 30 50 EGEA C[C@H]1CN(c2c3c(c(C#N)c4nc5ccccc5n24)CCC3)C[C@H](C)O1 183166 ODDCOAJSJSWGGF-KBPBESRZSA-N 346.434 3.461 30 50 EGEA O/C(=N/C[C@@H]1C[C@H](F)CN1Cc1nccs1)Nc1ccsc1 328657014 ZXMGQFSJRKDDJO-JQWIXIFHSA-N 340.449 3.143 30 50 EGEA CCc1cc(-c2cc(-c3ccc(C(=O)O)cc3)nc(N)c2C#N)on1 71762230 PRJMATIGLZXRPX-UHFFFAOYSA-N 334.335 3.118 30 50 EGEA N#Cc1ccc(CN[C@H](CO)c2cccc(Br)c2)c(F)c1 178799419 KPXQUPMLVCCYTG-MRXNPFEDSA-N 349.203 3.283 30 50 EGEA C#Cc1cccc(NC(=O)c2ccc(N3CC[C@@H]([C@H](C)O)C3)cc2)c1 1875318333 GAZSNWFEAIGVSJ-MAUKXSAKSA-N 334.419 3.127 30 50 EGEA COC(=O)c1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1 5104402 OVOOJFQCIIFFKB-UXBLZVDNSA-N 326.348 3.387 30 50 EGEA COc1ccc(C(=O)C[n+]2ccc(Cc3ccccc3)cc2)c(OC)c1 2529512 KDQQUOUTARUKAG-UHFFFAOYSA-N 348.422 3.465 30 50 EGEA CC1(C)OB(c2ccccc2NC(=O)Cc2ccccc2)OC1(C)C 405016191 UDELWVZNVREOHQ-UHFFFAOYSA-N 337.228 3.167 30 50 EGEA C=C(C)COc1c(I)cc(C#N)cc1OC 4827345 YJMBKDXOAPAXHJ-UHFFFAOYSA-N 329.137 3.126 30 50 EGEA C[C@H](Nc1ccc2nc(C(F)F)sc2c1)C(=O)N(C)CCC#N 328591362 QGEUMWDTDCGRCT-VIFPVBQESA-N 338.383 3.406 30 50 EGEA Cc1c(-c2ccccc2F)o[nH]c1=N/C(O)=N/[C@@H]1CCO[C@@H]1C1CC1 328595794 FFACTWPUEJIMGG-GDBMZVCRSA-N 345.374 3.104 30 50 EGEA Cc1noc([C@H](/N=C(/O)[C@@H]2C[C@H]2c2ccco2)C2CCOCC2)n1 328615127 XSCQPOWFGKMJJD-UMVBOHGHSA-N 331.372 3.199 30 50 EGEA CN(C(=O)c1ccn(-c2c(F)cccc2F)n1)c1cccc(C#N)c1 176190665 HSBZMMSGFUJRJP-UHFFFAOYSA-N 338.317 3.299 30 50 EGEA CC#CCN[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 182308140 IPSGSESYRMSFBM-SFHVURJKSA-N 349.402 3.071 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(O)c1 19925098 INUIWVGZXKLKJO-QGZVFWFLSA-N 341.407 3.169 30 50 EGEA CC(C)OC(=O)C(=O)/C=C(\Nc1ccccc1O)c1ccccc1 100091180 GDOZYRKOHZNVMJ-VBKFSLOCSA-N 325.364 3.366 30 50 EGEA biogenic C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1C1CCOCC1 2325810474 MNTYCQWZTFDMFL-HNAYVOBHSA-N 342.439 3.133 30 50 EGEA Cc1ccccc1OC1CN(C(=O)c2ccc(C#CC(C)(C)O)cc2)C1 218447749 AZEHUHVXQPMOIH-UHFFFAOYSA-N 349.430 3.021 30 50 EGEA C=CCSc1nc(O)c2c(n1)NC(=O)C[C@@H]2c1ccc(F)c(F)c1 820497023 XLTLROWOJIAMGW-SECBINFHSA-N 349.362 3.213 30 50 EGEA CCCN1CCC[C@@]2(CCN(c3nc(C(C)C)ccc3C#N)C2)C1=O 91745588 VHBSXQNCEBRVGY-FQEVSTJZSA-N 340.471 3.306 30 50 EGEA C#CCCC1(CCC(=O)N2CCCc3cc(OC)ccc3C2)N=N1 952881617 QLQUNHIKGGYMFN-UHFFFAOYSA-N 325.412 3.326 30 50 EGEA N#Cc1cccc(C(=O)NCCc2nc(-c3ccccn3)cs2)c1 109879285 YJXKNCGIHCYHEU-UHFFFAOYSA-N 334.404 3.049 30 50 EGEA Cc1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 4063181 UBKOWVOSSLUPDI-UHFFFAOYSA-N 348.402 3.030 30 50 EGEA CSc1nnc(C(C)(C)C)c(=O)n1/N=C/C1=CC[C@H]2C[C@H]1C2(C)C 253397561 WIUDNFXIBOZGRH-QMBHURKLSA-N 346.500 3.484 30 50 EGEA C=C[C@@](C)(C=O)C[C@@H]1O[C@H](C#N)[C@@]23C(=O)CC[C@@H]2CC[C@@H](C)[C@@]13C 71786305 BWHCUUHAFYWNOR-HKEUYKKTSA-N 329.440 3.460 30 50 EGEA CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/Nc2ccccn2)C1=O 18202657 MTMQQELMPORHIG-QBFSEMIESA-N 348.358 3.381 30 50 EGEA COc1cc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)ccc1C#N 343334425 GSLNWCBWDBEBOB-ZWKOTPCHSA-N 326.371 3.014 30 50 EGEA Cc1c(C#N)c(N[C@@H]2COC[C@H]2Cc2ccncc2)nc2ccccc12 2356150367 YTQCLQHUABCFPM-OXQOHEQNSA-N 344.418 3.480 30 50 EGEA O/C(=N/[C@@H]1CCO[C@@H]1C1CC1)Nc1cc(F)ccc1Br 328586240 UNKBKPUBOJAKNS-DGCLKSJQSA-N 343.196 3.482 30 50 EGEA N#Cc1cccc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccc2)C3)c1 1565530767 LUGNCDYDABEKBM-FPOVZHCZSA-N 345.446 3.295 30 50 EGEA Cc1nc(NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 169989606 RXOJTVKEVZGCDL-UHFFFAOYSA-N 334.225 3.036 30 50 EGEA Cc1c(CN2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)cc(C#N)n1C 1857678449 YSFSYLLPXSWGIX-NNWRFLSQSA-N 349.478 3.163 30 50 EGEA N#Cc1ccc(CN2CC[C@H]([C@@H]3CCOC3)C2)c(Br)c1 360757895 VNUTWBKDPVLVLB-DZGCQCFKSA-N 335.245 3.179 30 50 EGEA CN(C)N1C(=O)C[C@H](c2ccccc2F)C2=C1CC(C)(C)CC2=O 1422738 WAKMBWRNCKWQBL-CYBMUJFWSA-N 330.403 3.261 30 50 EGEA C=C(C)COc1ccc(C(=O)NCC2(Cn3ccnc3)CC2)cc1 55359930 VNGUYBUTRKWORA-UHFFFAOYSA-N 325.412 3.048 30 50 EGEA C=CCN(Cc1ccccc1Cl)C(=O)[C@H]1CCC(=O)N(CC)C1 55341103 WGHFIUAFFZHAOX-HNNXBMFYSA-N 334.847 3.113 30 50 EGEA N#C[C@@]1(c2ccccn2)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]21 239347195 MISRPTAWNSSWEW-RBUKOAKNSA-N 334.379 3.366 30 50 EGEA C#CCCC1(CCC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)N=N1 952880480 GECBPVXLRGEODT-KRWDZBQOSA-N 326.444 3.070 30 50 EGEA CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CC[C@@](F)(C#N)C2)cc1 170604673 PVLDCBPUJZTREX-GOSISDBHSA-N 347.390 3.040 30 50 EGEA C=C(C)CN1C(=O)[C@@](O)(CC(=O)c2cccs2)c2ccccc21 6729237 MRZWGXPWFDDXHM-GOSISDBHSA-N 327.405 3.131 30 50 EGEA N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccsc2)cc1 247642544 IIFXTTHDPMJCMI-AEFFLSMTSA-N 328.437 3.197 30 50 EGEA CC#CC(=O)NCCCCCc1nc(-c2ccc(Cl)cc2)no1 252492308 MIFSIBCXJPFOES-UHFFFAOYSA-N 331.803 3.242 30 50 EGEA C/C(O)=N/C[C@H]1CCN(C(=O)COc2cccc3ccccc23)C1 328591908 SNPROKLYSFCQEB-OAHLLOKOSA-N 326.396 3.044 30 50 EGEA Cc1ccc(-n2nnc(C(=O)Nc3ccccc3C#N)c2C)cc1C 8021673 YYUOBCOTEBTYFD-UHFFFAOYSA-N 331.379 3.317 30 50 EGEA C#CCCC1(CCC(=O)Nc2nc(C3CCOCC3)cs2)N=N1 2325885228 CGBOGOWMLMGTMW-UHFFFAOYSA-N 332.429 3.331 30 50 EGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl 289872 KNTWGJYREMHVJQ-CQSZACIVSA-N 347.798 3.194 30 50 EGEA CC1=C/C(=N\N=c2\sc3ccccc3n2C)c2cccnc2C1=O 4773312 WTVYARQDTAHBRK-NQUFBGNASA-N 334.404 3.082 30 50 EGEA Cn1cc([C@H]2OCCC[C@@H]2/N=C(/O)[C@@H]2C[C@H]2c2ccccc2)cn1 328616604 BVHNZDLIXKDWNU-XWTMOSNGSA-N 325.412 3.400 30 50 EGEA Cc1nsc(N2CCC[C@H](N(C)Cc3ccccn3)CC2)c1C#N 283765423 NUNJDAPUZXLAHJ-INIZCTEOSA-N 341.484 3.209 30 50 EGEA CN(C)c1nccc2c1CCN(c1ncc(C#N)c3ccsc13)C2 1875287998 JIFDDRCZVJFISR-UHFFFAOYSA-N 335.436 3.192 30 50 EGEA CN(C)c1cc(C#N)cc(-c2nc(C(C)(C)c3ccncc3)no2)c1 871857621 VOONXKPHQMYWKC-UHFFFAOYSA-N 333.395 3.395 30 50 EGEA C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1N1CCN(C)CC1 5246468 SHVSBNJXYXEFMU-UHFFFAOYSA-N 347.466 3.185 30 50 EGEA COc1ccccc1N1CCN(/N=C/C(C)=C/c2ccco2)CC1 5494359 INMKDRVMQUZTTE-MJOZVEEZSA-N 325.412 3.500 30 50 EGEA CNc1ccc(C#N)cc1NC(=O)Cc1c[nH]c2ccc(OC)cc12 253418581 WQPMWHILABTUFL-UHFFFAOYSA-N 334.379 3.271 30 50 EGEA C=CCn1c2nc3ccccc3nc2c2c(=O)n([C@@H](C)CC)cnc21 534096 FQHOQKOHGCMRLU-LBPRGKRZSA-N 333.395 3.451 30 50 EGEA C=C(C)COc1ccc(C(=O)N2CCC[C@@H]2c2nonc2C)cc1 55325853 PMWBZSGVAMCANO-MRXNPFEDSA-N 327.384 3.310 30 50 EGEA Cc1cc([C@@H]2CCCN(/C(O)=N/[C@H](C)c3cncc(F)c3)C2)n[nH]1 328752726 RZGPEIIJAUDSGZ-CHWSQXEVSA-N 331.395 3.107 30 50 EGEA O=C1CC[C@H](/C(O)=N/C2CC(F)(F)C2)[C@@H](c2ccncc2)N1C1CC1 329112426 HDJUQYLKHHLYAV-GOEBONIOSA-N 349.381 3.278 30 50 EGEA CC[C@@H](C)CONC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 292198244 NOUFYZNUGFTDRL-CYBMUJFWSA-N 333.407 3.008 30 50 EGEA CC1=C(C(=O)OC(C)C)[C@H](c2ccncc2)C2=C(CCCC2=O)N1 19315187 UEDCHNUUVXWJBO-KRWDZBQOSA-N 326.396 3.001 30 50 EGEA COc1ccc2nc(C(=O)NCc3ccc(C#N)cc3F)ccc2c1 170932078 VUOCLFGDKXSAAD-UHFFFAOYSA-N 335.338 3.184 30 50 EGEA N#C[C@@H](C(=O)c1ccc2c(c1)CCC(=O)N2)c1cnc2ccccc2n1 190894168 NRPCXMGLMPOSOL-CQSZACIVSA-N 342.358 3.005 30 50 EGEA O=S1(=O)CCC[C@H]1/C=N/N(Cc1ccccc1)c1ccccc1 5376098 DIZBFEDNKUWDHF-OGBKAESYSA-N 328.437 3.256 30 50 EGEA Cc1ccc(-c2noc(C3CCN(c4ocnc4C#N)CC3)n2)cc1 1857799696 UPIKGHUTRZGVOS-UHFFFAOYSA-N 335.367 3.289 30 50 EGEA C[C@@H](C(=O)N1CCCC[C@@H]1C1CCOCC1)c1ccc(C#N)cc1 2325810511 OQMRBGUUGJFHAI-DNVCBOLYSA-N 326.440 3.469 30 50 EGEA N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(N)=O 202985 DPUJRYUSCJYOIN-UHFFFAOYSA-N 337.326 3.216 30 50 EGEA C[C@@H]1CCc2c(F)cccc2[C@@H]1N/C(O)=N/[C@@H]1CCc2c[nH]nc2C1 329857781 ZMVUDGCZKAXJCF-AEDCBLDQSA-N 342.418 3.233 30 50 EGEA C=CCN1CC[C@H](Nc2cccc(NC(=O)c3ccccc3)c2C)C1=O 253419961 NYQJBEUVMGKQHJ-IBGZPJMESA-N 349.434 3.446 30 50 EGEA CCn1cc([C@H]2OCCC[C@@H]2Nc2ncc(C#N)cc2Cl)cn1 328624417 JVXIVHFGKGDKBX-LSDHHAIUSA-N 331.807 3.155 30 50 EGEA CCCn1c(SCC(=O)Nc2sccc2C#N)nnc1C1CC1 6400243 IDJMTHNQMZKMLY-UHFFFAOYSA-N 347.469 3.229 30 50 EGEA Cc1ccc2cnn([C@@H]3CCCCO3)c2c1B1OC(C)(C)C(C)(C)O1 328578256 FQDKNHOWVOERAI-HNNXBMFYSA-N 342.248 3.343 30 50 EGEA N#Cc1cc(-c2ccc(C(=O)NCC[C@H]3CCCN3)cc2)ccc1F 426734530 QHMJWZPXWKNIAL-GOSISDBHSA-N 337.398 3.236 30 50 EGEA CC(=O)/C(=C(/C)O)[C@@H]1c2ccccc2O[C@@H](C(F)(F)F)[C@H]1[N+](=O)[O-] 820386083 OHPUZUJQIHXLGR-FDUVVWAGSA-N 345.273 3.160 30 50 EGEA COC[C@@H](C)N(Cc1cccc(F)c1)C(=O)c1ccc(C#N)cc1 952986792 FRLXLHLUEKIASL-CQSZACIVSA-N 326.371 3.375 30 50 EGEA Cc1cncc(CCCN2CCN(c3ccc(C#N)cc3F)CC2)c1 170600001 IGIHOGXMCFFMNQ-UHFFFAOYSA-N 338.430 3.156 30 50 EGEA O=S(=O)(N/N=C/c1cccc2cccnc12)c1ccc(Cl)cc1 442100 SKNGKNMVKLAJBN-YBFXNURJSA-N 345.811 3.201 30 50 EGEA COc1ccccc1/C=C/C=N/n1c(S)nnc1-c1ccco1 2344417 UKJJPWCLBHICAX-CUQLSPFUSA-N 326.381 3.383 30 50 EGEA C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CN3CCC2CC3)c1 94192 ONZMAEXKDOLEOZ-SFHVURJKSA-N 327.472 3.348 30 50 EGEA O=C1C(Cl)=CC(=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C=C1Cl 4566407 CCVXZPAIAWNWNO-UHFFFAOYSA-N 342.094 3.404 30 50 EGEA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C[C@@H](C#N)CCC#N)C1 343747312 KZBYXVVXYOCJFT-CHWSQXEVSA-N 339.365 3.062 30 50 EGEA O/C(=N/[C@@H]1CCO[C@H]1C1CC1)Nc1cc(F)c(OC(F)F)cc1F 328596413 NTFHYVOWOIFDQK-MFKMUULPSA-N 348.296 3.460 30 50 EGEA Cc1cnc([C@H](C)C/N=C(/O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)s1 329610229 NRIZONQGMPRQTE-XBFCOCLRSA-N 337.489 3.358 30 50 EGEA C[C@H]1CCC(=O)N1c1cccc(NC(=O)c2cc(F)cc(C#N)c2)c1 826768239 KLYXDVQXIIXHBL-LBPRGKRZSA-N 337.354 3.465 30 50 EGEA N/C(Cc1cccc2ccccc12)=N\OC(=O)c1ccc2c(c1)OCO2 18173072 FUMKFQKEOWMFRE-UHFFFAOYSA-N 348.358 3.240 30 50 EGEA CSc1ccc(/C=N/n2c(S)nnc2-c2ccccn2)cc1 6928757 KQNQERBVVZYZER-LICLKQGHSA-N 327.438 3.233 30 50 EGEA N#Cc1c(N2C(=O)C=CC2=O)sc2c1CC[C@H](c1ccccc1)C2 22866917 JUWZLAKOOZBZCR-ZDUSSCGKSA-N 334.400 3.322 30 50 EGEA COc1ccc(-c2c(C)sc(NC(=O)/C=C/C(=O)O)c2C#N)cc1 2789094 LPPHALJSNBAFNM-BQYQJAHWSA-N 342.376 3.183 30 50 EGEA CC(C)n1ncc2c1C[C@H](/N=C(/O)Cc1ccc3c(c1)CCO3)CC2 329777522 KMWWUUSDNNGLBX-QGZVFWFLSA-N 339.439 3.455 30 50 EGEA COc1ccc(CN2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1C#N 340236426 KFLCFZBIQLPEAQ-QAPCUYQASA-N 344.361 3.153 30 50 EGEA CCN/C(S)=N/C(=N/c1ccccc1)Nc1nc(C)cc(C)n1 13635754 MVXBGGZXULXCRT-UHFFFAOYSA-N 328.445 3.088 30 50 EGEA CC[C@@H](C)C(=O)OC[C@@]1(c2ccc(C)cc2OC(=O)C(C)C)CO1 1608516 DBEFONQGRSUFQO-KUHUBIRLSA-N 334.412 3.371 30 50 EGEA endogenous,in-man C=CCN(CCSc1ccccc1)C(=O)c1cnc(NCC)nc1 55342000 IHUSKTZWFQKDAW-UHFFFAOYSA-N 342.468 3.329 30 50 EGEA O=C1/C(=C/c2cc(O)c(O)c([N+](=O)[O-])c2)Oc2ccc(Cl)cc21 299738143 BFPMAAKVACJKIY-ACAGNQJTSA-N 333.683 3.276 30 50 EGEA CN=C(NCC(C)C)N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 1875319765 QTADTUWWPBIUMN-ZDUSSCGKSA-N 332.879 3.500 30 50 EGEA N#Cc1cccc(Oc2ccnc(NCCn3ccc(C4CC4)n3)n2)c1 1775992170 XVMFVFSUTFRADY-UHFFFAOYSA-N 346.394 3.327 30 50 EGEA CC(C)[C@H]1OCC[C@@H]1CNC1CCN(Cc2ccc(C#N)cc2)CC1 271917322 ZFHQULXTNKDJRI-TZIWHRDSSA-N 341.499 3.173 30 50 EGEA CC1(CNC(=O)C2(C#N)CCCCC2)CN(Cc2ccccc2)C1 170600606 NYRFROBGEOQKJJ-UHFFFAOYSA-N 325.456 3.099 30 50 EGEA C#CCOc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OC 2126296 HDOHDJGQHLDQIJ-FOWTUZBSSA-N 333.343 3.052 30 50 EGEA C[C@H]1CCCN(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 405130960 GAKUIGLMPHZWMG-AWEZNQCLSA-N 344.264 3.250 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1O 3071510 IWRKYKIZMKEBJK-KRWDZBQOSA-N 341.407 3.169 30 50 EGEA C=CCCOCCNC(=O)c1cc2ccccc2nc1N1CCCC1 225516694 LWZNFHNNBDJYSV-UHFFFAOYSA-N 339.439 3.158 30 50 EGEA N#CCC[C@H](C#N)CN1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 229923397 OJAREHRCAZBJIS-VXGBXAGGSA-N 325.338 3.051 30 50 EGEA Cc1noc([C@@H](/N=C(/O)COC2CCCCC2)C2CCOCC2)n1 328613186 RBBMBTWTRLHBCR-INIZCTEOSA-N 337.420 3.152 30 50 EGEA N#Cc1cccc(/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c1 328629302 OPXVAIDGCRFWAU-LBPRGKRZSA-N 348.328 3.341 30 50 EGEA C#CCCC1(CCC(=O)Nc2cccc(CN3CCCC3=O)c2)N=N1 952881572 OCJAXRPVADBOAC-UHFFFAOYSA-N 338.411 3.103 30 50 EGEA N#Cc1ccc(N2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1C(F)(F)F 43206557 OPSIVAKKLQRWKC-NEPJUHHUSA-N 338.251 3.469 30 50 EGEA in-vitro C=CCN(c1ccc(C(=O)Nc2cccc(C)c2)cc1)S(C)(=O)=O 582653 ONYFPRJCNRWRPT-UHFFFAOYSA-N 344.436 3.199 30 50 EGEA N#Cc1ccc(-c2nc(-c3cc(OCC(F)F)ccn3)no2)cc1 358008665 WICSQKFULVUEAD-UHFFFAOYSA-N 328.278 3.314 30 50 EGEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)/C(O)=N/CC1(C2CC2)CC1 328616648 BXVZDQYWUKNZSR-WMZOPIPTSA-N 342.487 3.110 30 50 EGEA Cc1cc(C(=O)N2CCOC[C@H](C)C2)c(C)n1-c1ccc(C#N)cc1 374352727 PZKSRGLCMQXXDF-CQSZACIVSA-N 337.423 3.074 30 50 EGEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1cc(C)cc(C)c1)CC2 91586647 JCYNYBUUMSTTTG-UHFFFAOYSA-N 340.467 3.334 30 50 EGEA Cc1ccc(S(=O)(=O)N/N=C\c2cccc(OC(C)C)c2)cc1 30860448 ZRTMXORSDOOFSK-PDGQHHTCSA-N 332.425 3.095 30 50 EGEA CCOC(=O)Nc1ccc(N[C@@H]2CCN(CC)C[C@@H]2C)cc1C#N 221871548 ZXSGBXNEHQCLPD-XJKSGUPXSA-N 330.432 3.269 30 50 EGEA CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)C#Cc2ccccc2)C1 12707400 UNSCKPLMKVOQES-OAQYLSRUSA-N 332.447 3.161 30 50 EGEA Cc1c(C(=O)Nc2ccc(Cl)c(C#N)c2)cnn1-c1ccccn1 121042368 RDANRIHPDLRTGS-UHFFFAOYSA-N 337.770 3.353 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cccs1 379111 CGIFCPGGCIKYJJ-HNNXBMFYSA-N 337.400 3.490 30 50 EGEA Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)cc1Br 4078651 MSYWXUFHHYPHDZ-NSHDSACASA-N 334.213 3.368 30 50 EGEA Cc1c(C#N)cccc1N=C(O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 328586782 QKRLCJXUNYXVAN-SJLPKXTDSA-N 339.370 3.359 30 50 EGEA CCn1ccnc(N2CCC(/N=C(/O)C3=CCCCCC3)CC2)c1=O 328639044 PJMZFURFOQTWFU-UHFFFAOYSA-N 344.459 3.079 30 50 EGEA Cn1nnc2c1C[C@@H](/C(O)=N/C1(C(F)(F)F)CCCCC1)CC2 329635914 UUUPXCATESMOSB-JTQLQIEISA-N 330.354 3.142 30 50 EGEA N#Cc1ccc(N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)nc1 253396258 MRKIPTCNBHAQPT-WFASDCNBSA-N 333.313 3.284 30 50 EGEA Cc1ccnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1C#N 253427032 VJCMPNRKJFPBOI-INIZCTEOSA-N 345.349 3.441 30 50 EGEA COc1nccc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1C#N 71767660 XHOYHQRTHGJMDJ-MRXNPFEDSA-N 329.787 3.193 30 50 EGEA Cn1nnc2ccc(C(=O)Nc3cc(C(C)(C)C)sc3C#N)cc21 185169597 SOVALBPGCLADSF-UHFFFAOYSA-N 339.424 3.451 30 50 EGEA COc1ccccc1[C@@H](C#N)NC(=O)c1cccnc1C(F)(F)F 170608860 QAXXVTNLCQPCCM-GFCCVEGCSA-N 335.285 3.104 30 50 EGEA CCc1ccc([C@H]2CN(C(=O)c3ccc(C#N)c(O)c3)CCO2)cc1 190863648 DEMCBKANYZWJFJ-LJQANCHMSA-N 336.391 3.040 30 50 EGEA Cc1cccc(/C(N)=N/OC(=O)COc2ccc(C(C)C)cc2)c1 6411961 LZRAUWIBQBBWRD-UHFFFAOYSA-N 326.396 3.361 30 50 EGEA CCn1nncc1/C(O)=N/[C@@H]1COc2c1ccc(Cl)c2Cl 328878222 KYJMRUXHBOIPLR-SECBINFHSA-N 327.171 3.043 30 50 EGEA CCn1nc(C2CC2)cc1C(=O)Nc1nc2cc(C#N)ccc2n1CC 907176844 ZCDMVUUIBUPCBC-UHFFFAOYSA-N 348.410 3.274 30 50 EGEA Cc1cc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)nn1[C@H](C)C1CC1 329950515 MJPULILJEPMJPW-QVKFZJNVSA-N 348.450 3.344 30 50 EGEA N#Cc1cccc(CS(=O)(=O)N2CCC[C@H](c3ccccc3)C2)c1 431599698 JBTXBAUKIYDUFM-IBGZPJMESA-N 340.448 3.268 30 50 EGEA Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 239761657 CKCPBWFRDVPSNB-MUGJNUQGSA-N 348.450 3.212 30 50 EGEA C=CCN1CC2(CCC1=O)CCN(c1cnc3ccccc3n1)CC2 91848943 YJDOIJWZGBSJPS-UHFFFAOYSA-N 336.439 3.025 30 50 EGEA CC(C)CN1CC2(CCN(Cc3cccc(C#N)c3)CC2)CC1=O 91643389 SCFRRNCXLZXJFM-UHFFFAOYSA-N 325.456 3.029 30 50 EGEA C#CCCC1(CCC(=O)N[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]32)N=N1 1875381925 LGKWSGMONMTSKB-DJIMGWMZSA-N 327.815 3.450 30 50 EGEA COc1cc(/C=N/Nc2nnc(Cl)c3ccccc23)ccc1O 4772839 MTHBLVQKZWOTPG-GIJQJNRQSA-N 328.759 3.443 30 50 EGEA COc1cccc(C[C@H](C)/N=C(/O)N2CCC[C@H]2c2noc(C)n2)c1 329414145 YQASYNCHSCHMDO-LRDDRELGSA-N 344.415 3.069 30 50 EGEA O/C(=N/CCn1ccnc1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 328588047 NHBKFNACAXEIPS-UHFFFAOYSA-N 346.381 3.255 30 50 EGEA C=CC[C@]1(CO)CCCN(Cc2ccc(OC(C)C)c(CO)c2)C1 91651139 CCINYGOAIZRAGD-FQEVSTJZSA-N 333.472 3.117 30 50 EGEA Cc1nccn1C[C@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 180521452 OXBJCYPVJLKSTA-GOSISDBHSA-N 334.423 3.052 30 50 EGEA Cc1ccc(COc2cc(Br)cnc2C=O)cc1C#N 1459290481 ONQDDLAJHQNAFH-UHFFFAOYSA-N 331.169 3.416 30 50 EGEA N#Cc1ccccc1N1CCN(CC2([C@@H]3CCCCO3)CC2)CC1 1776005318 CPEDKSNGEVLTPU-IBGZPJMESA-N 325.456 3.030 30 50 EGEA Cc1ccccc1-c1cc[n+](CC(=O)c2cccc([N+](=O)[O-])c2)cn1 5712082 FOCJJVQRNGBMBB-UHFFFAOYSA-N 334.355 3.136 30 50 EGEA C=CCc1ccccc1O[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 14632469 VAWBHMZSAODRNW-GJZGRUSLSA-N 347.411 3.257 30 50 EGEA C#CCCC1(CCC(=O)NCc2nc3c(s2)C[C@@H](C)CC3)N=N1 2325886287 DLBFSRDUNPPTBN-LBPRGKRZSA-N 330.457 3.240 30 50 EGEA Cc1cc([C@H]2CCCN2C(=O)c2cccc(C#CC(C)(C)O)c2)on1 1506430162 XZPIRDFUXMETLH-QGZVFWFLSA-N 338.407 3.083 30 50 EGEA CN(C(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1cncc(C#N)c1 2325805689 GPDJSBYJPJAKPZ-LGBHXNNWSA-N 329.831 3.494 30 50 EGEA CCSC1=N/C(=C\c2ccc(OC)c(OC(C)=O)c2)C(=O)S1 4845416 SESWDZCCSVKEPG-XFFZJAGNSA-N 337.422 3.344 30 50 EGEA C[C@H]1CN(C(O)=Nc2ccc(F)c(C3CC3)c2)C[C@]2(CCOC2)O1 328588694 VKSCTGNERRZUSG-SGTLLEGYSA-N 334.391 3.128 30 50 EGEA C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)CO)CC[C@H]12 257346378 ZDYFFPNLCUDFDB-HCNLZUIDSA-N 328.452 3.472 30 50 EGEA C=CCN(C)C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 408523611 UDOUBZUUFWWRNO-UHFFFAOYSA-N 349.431 3.047 30 50 EGEA Cc1cccc(C[C@@H]2S/C(=N\N=C\c3cccs3)NC2=O)c1 5048924 XNAHVTAYDZVMIW-FBJMNJBLSA-N 329.450 3.221 30 50 EGEA Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(C#N)cc1 181502 SBXBWPXZEHKMPU-UHFFFAOYSA-N 342.708 3.374 30 50 EGEA C=CCn1c(=N)n(C[C@H](O)c2ccc(OCC)cc2)c2ccccc21 19854822 DERGUDDBYPWAJK-IBGZPJMESA-N 337.423 3.241 30 50 EGEA CCOc1ccc(NC(=O)N2CC(N3CCCC[C@H]3C)C2)cc1C#N 299758544 KBYUBIIZXJKFLZ-CQSZACIVSA-N 342.443 3.047 30 50 EGEA CC(C)(C)OC(=O)NCc1ccsc1B1OC(C)(C)C(C)(C)O1 950757422 BGGZYORTUWGJKR-UHFFFAOYSA-N 339.266 3.072 30 50 EGEA Cc1cc(C)c(C#N)c(N2CCN(C/C=C/c3ccccc3)CC2)n1 6759647 JAZFOWWNQMCNEW-RMKNXTFCSA-N 332.451 3.406 30 50 EGEA COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(C#N)oc2C)c1 253433328 VURLEMYEWUESGN-KRWDZBQOSA-N 340.379 3.454 30 50 EGEA N#CC1CCC(CNC(=O)NCCCSc2nccs2)CC1 241466194 NVKAHODEBJZAKL-UHFFFAOYSA-N 338.502 3.254 30 50 EGEA CC1=C(C)/C(=N\OC(=O)c2ccc(Br)cc2)C=CC1=O 101972 NPRFKHMNOFSZCQ-LGMDPLHJSA-N 334.169 3.437 30 50 EGEA COc1ccc2c(c1)CCOC21CCN(c2cccc(C#N)n2)CC1 1704325577 QCWUKNXHGANRED-UHFFFAOYSA-N 335.407 3.030 30 50 EGEA C#CCCC1(CCC(=O)N2CCc3c(ncn3-c3ccccc3)C2)N=N1 952879570 FNYUZVALHHLVSE-UHFFFAOYSA-N 347.422 3.113 30 50 EGEA C=CCOc1ccc(CN2[C@H]3CC[C@@H]2C[C@H](O)C3)c(OCC=C)c1 102813318 DSJKIJLUWRTAIM-PIIMJCKOSA-N 329.440 3.304 30 50 EGEA N#Cc1ccccc1CN1CC[C@@H](CNC(=O)Nc2ccccc2)C1 67727203 BZUFDKFZKJHBEK-INIZCTEOSA-N 334.423 3.202 30 50 EGEA CCc1nc(C)c(-c2cc(-c3ccc(O)c(OC)c3)nc(N)c2C#N)[nH]1 67973843 DVXCXBGGCUYSLN-UHFFFAOYSA-N 349.394 3.178 30 50 EGEA C=CCn1c([C@@H]2c3nc[nH]c3CCN2CC2CC2)nc2ccccc21 72433935 PJRHXZJSOKBSPP-IBGZPJMESA-N 333.439 3.303 30 50 EGEA N#Cc1c(N)nc2c(c1-c1cnc(C3CCCCC3)nc1)COCC2 71759834 ZYWDOMQFRUSRNJ-UHFFFAOYSA-N 335.411 3.113 30 50 EGEA Cc1ccc(S(=O)(=O)OC[C@]2(C)C(=O)C[C@@]3(C(C)C)C[C@@H]23)cc1 43198832 KAYDIWFMEXYNLW-RYQLBKOJSA-N 336.453 3.342 30 50 EGEA Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 245226649 HFFAZLHMEAXMCV-WKRHIYTMSA-N 345.402 3.007 30 50 EGEA C#CCOc1ccccc1NC(=O)N1CCO[C@@H](c2cccs2)C1 188087690 MJBFNTRLQRQJOG-MRXNPFEDSA-N 342.420 3.366 30 50 EGEA O=S(=O)(/N=C(/Nc1cccnc1)c1ccccc1)c1cccs1 12524692 WBQPNMJGRFWGPB-UHFFFAOYSA-N 343.433 3.391 30 50 EGEA C=CCc1ccc(CN2CCC(n3ccc(C(=O)O)n3)CC2)cc1 2325799035 OTJFHTFHIPADRZ-UHFFFAOYSA-N 325.412 3.147 30 50 EGEA Cc1cc(Cl)ccc1OCCCC(=O)N(CCC#N)CCC#N 2857374 ZBQYEKXEBIIOLL-UHFFFAOYSA-N 333.819 3.463 30 50 EGEA Cc1cc(C)c(C#N)c(Oc2ccccc2CN2CCN(C)CC2)n1 67818444 CHFHNORPQPJIJU-UHFFFAOYSA-N 336.439 3.110 30 50 EGEA C[C@@H]1OCc2c1nc(N)c(C#N)c2-c1cccc2c1OC(F)(F)O2 71749385 JZRQVPWTALXVNN-ZETCQYMHSA-N 331.278 3.115 30 50 EGEA C[C@H]1C[C@@H]2[C@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@]3(C)O)[C@@]2(C)CCC(=O)C=C12 257357099 LZRQDFQQYIQZLG-PYZHNPBJSA-N 332.484 3.486 30 50 EGEA C[C@H]1C[C@@H]2[C@H]([C@H](O)C[C@]3(C)[C@H]2CC[C@]3(C)O)[C@@]2(C)CCC(=O)C=C12 257357100 LZRQDFQQYIQZLG-VZYQLYSXSA-N 332.484 3.486 30 50 EGEA COc1cc(OC)c2ncc(C#N)c(NC3CC(c4ncc[nH]4)C3)c2c1 1776005096 AVSMDQVETZACJX-UHFFFAOYSA-N 349.394 3.205 30 50 EGEA O=C1C=C2CN([C@H](C(=O)C3CC3)c3ccccc3F)CC[C@@H]2S1 13901976 MJAMUSZUMAHFLH-RDJZCZTQSA-N 331.412 3.120 30 50 EGEA N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 15777243 FUUHWOIGRQUJPU-UHFFFAOYSA-N 329.208 3.088 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1nc(C)cs1 4542653 SHPYMCDBMFKDCH-HNNXBMFYSA-N 346.452 3.229 30 50 EGEA N#Cc1ccccc1N1CCN(C(=O)c2coc3ccccc23)CC1 113042549 YWSALXVLPKWJOM-UHFFFAOYSA-N 331.375 3.267 30 50 EGEA Cc1ccc(C#N)c(N2CCC[C@@H](N(C)CCc3ccccc3)C2)n1 72137076 CIHSDSGMPSAVFY-HXUWFJFHSA-N 334.467 3.405 30 50 EGEA C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C/c1ccco1 4075948 FNZMMCQYVQMZBQ-QHUXICGISA-N 339.420 3.342 30 50 EGEA C=CCOc1ccc(CNCc2ccc3c(c2)OCO3)cc1OC 4488520 IBZQSJVFNULKEF-UHFFFAOYSA-N 327.380 3.279 30 50 EGEA N#Cc1ccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)F)c(F)c1 344337042 CDOIUFHMJGIDFC-SJORKVTESA-N 334.341 3.024 30 50 EGEA Cc1nc(CC(C)C)c(N=C(O)N2CCC[C@H]2CCCO)s1 331344125 UQCJMZRTMZTAMQ-ZDUSSCGKSA-N 325.478 3.432 30 50 EGEA Cc1c(-c2ccc(OCC(=O)O)cc2)nc(N)c(C#N)c1-c1ccoc1 72171663 NCZYEHKMULQYJH-UHFFFAOYSA-N 349.346 3.234 30 50 EGEA N#Cc1ccc([C@@H]2c3nc[nH]c3CCN2Cc2ccc(Cl)nc2)cc1 72418009 GWUXJHGMMYLOHL-LJQANCHMSA-N 349.825 3.477 30 50 EGEA Cc1ccccc1[C@H](O)CNC(=O)CC1=C(c2ccccc2)CCC1=O 952970934 ICKZVVNBYGXFQV-OAQYLSRUSA-N 349.430 3.351 30 50 EGEA COc1cc(OC)c(/C=C2\N=C(SC)SC2=O)c(OC)c1 312316 PZRLLNQCJVABHX-YFHOEESVSA-N 325.411 3.046 30 50 EGEA C#CCCC1(CCC(=O)NCc2c(F)cccc2N2CCCC2)N=N1 952880113 JAGKTGOBSYWBFS-UHFFFAOYSA-N 342.418 3.398 30 50 EGEA CCOc1ccc(/C=N/n2c(-c3ccco3)n[nH]c2=S)cc1OC 4899375 WMPHJEZAUTVTHD-LICLKQGHSA-N 344.396 3.490 30 50 EGEA CCCc1c(N/C(O)=N/[C@@H]2CN=C(O)C2)cnn1-c1ccc(C)cc1 328595790 FEDHVAFOLMGSFG-ZDUSSCGKSA-N 341.415 3.188 30 50 EGEA COc1ccccc1[C@@H]1CC[C@H](C)CN1S(=O)(=O)CCCC#N 285427092 WGGYQSZKLLTNFR-HOCLYGCPSA-N 336.457 3.102 30 50 EGEA N#Cc1ccc(-n2ccc(NCc3cc4n(n3)CCCC4)n2)c(F)c1 952876045 VRXBVSGLTYUTDU-UHFFFAOYSA-N 336.374 3.028 30 50 EGEA C=CCc1cc(CN[C@H]2CCCN(C(=O)C(C)C)C2)ccc1OC 952961342 FIOSPBQRBJRRBZ-SFHVURJKSA-N 330.472 3.160 30 50 EGEA N#Cc1ccc(F)c(CSc2nc(=O)cc(O)n2C2CCCC2)c1 192709151 ZZPQRWFIQHQNSU-UHFFFAOYSA-N 345.399 3.367 30 50 EGEA Cc1cc(C#N)cc(N2CCc3c(ncn3CCc3ccccc3)C2)n1 253415563 XICJJISEEPPICK-UHFFFAOYSA-N 343.434 3.264 30 50 EGEA N#Cc1cc2c(nc1Oc1ccccc1CN1CCOCC1)CCCC2 67642439 VEQYDHQVMHVAEW-UHFFFAOYSA-N 349.434 3.457 30 50 EGEA COc1cccc([C@H]2C[C@H](O)CN2Cc2cc(C#N)ccc2F)c1 282427595 YXBFIPLKNIBVOU-QFBILLFUSA-N 326.371 3.014 30 50 EGEA N#Cc1ccc(N2CCC[C@H]2[C@H](O)C(F)(F)F)cc1C(F)(F)F 98086063 OPSIVAKKLQRWKC-RYUDHWBXSA-N 338.251 3.469 30 50 EGEA C[C@@H](Nc1nc2ncccc2cc1C#N)c1ccc2nc(O)[nH]c2c1 1472658883 FFIMDFUSLQEEFP-SNVBAGLBSA-N 330.351 3.256 30 50 EGEA Cc1ccccc1N1CCCN(Cc2ccc(C#CCO)s2)CC1 1506425716 GXEWLLAABXWWBR-UHFFFAOYSA-N 340.492 3.113 30 50 EGEA COc1ccc(C=C2Oc3cc(O)ccc3C2=O)c(OC)c1OC 1857528166 JGOPTESGPYJSBC-UHFFFAOYSA-N 328.320 3.034 30 50 EGEA COc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2F)cc1Cl 135375349 BLPZCNKMABMYEW-UHFFFAOYSA-N 340.763 3.160 30 50 EGEA O=[N+]([O-])c1cccc(/C=N\CC/N=C\c2cccc([N+](=O)[O-])c2)c1 104225285 LCDWIXVPDSNHCZ-WHYMJUELSA-N 326.312 3.041 30 50 EGEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)CCc2ccccn2)cn1 328619311 FSGWPZXIFLTGDN-FUHWJXTLSA-N 328.416 3.107 30 50 EGEA C[C@H](NC(=O)CN1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 244646939 GSBYCRCBBYWCPQ-SFHVURJKSA-N 347.462 3.421 30 50 EGEA C=C(CNC(=O)N1CCC[C@@H](Cc2nc(C)no2)C1)c1ccccc1 894850197 VHRDSTNYVPWERE-INIZCTEOSA-N 340.427 3.056 30 50 EGEA CC(=O)Nc1ccc(Nc2nc(C(F)(F)F)nc(C)c2C#N)cc1 442074 YEYHVCVZAQFMMS-UHFFFAOYSA-N 335.289 3.378 30 50 EGEA N#Cc1cccnc1SCC(=O)Nc1cccc(Br)c1 7051442 JIFDEPSLMHBBTF-UHFFFAOYSA-N 348.225 3.447 30 50 EGEA C=CC[C@@]1(OC)C=C2C(=CC1=O)O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C 143165797 HCKMSYACKQLOPY-TVNIXMEMSA-N 340.375 3.477 30 50 EGEA biogenic COc1c(NC(=O)OC(C)(C)C)cccc1B1OC(C)(C)C(C)(C)O1 1772716690 OFIOIQZPVUANEE-UHFFFAOYSA-N 349.236 3.341 30 50 EGEA CC[C@H]1CN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)C[C@H](C)O1 111026895 SUOXEDWXAZCRQT-AAEUAGOBSA-N 345.468 3.192 30 50 EGEA COc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)cc1C#N 340236425 KFLCFZBIQLPEAQ-MAUKXSAKSA-N 344.361 3.153 30 50 EGEA CCc1c(C)sc(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)c1C#N 239347362 MUAPAZVQVRZWTE-LWWSYDQCSA-N 344.436 3.342 30 50 EGEA C[C@@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1C[C@@H]1OC(=O)C=C12 257357981 RBULKOMEEZXUGR-RDAYEZKXSA-N 340.419 3.159 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]32)N=N1 1875381924 LGKWSGMONMTSKB-BHYGNILZSA-N 327.815 3.450 30 50 EGEA C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 1772820305 DNLWUIJEVXJWBD-JVNHZCFISA-N 348.439 3.089 30 50 EGEA CCCN(CCC)/C(=N/S(=O)(=O)c1ccccc1)C(F)(F)F 16319790 XOFLICVCWHFJSH-QGOAFFKASA-N 336.379 3.458 30 50 EGEA Nc1cc2c(cc1N=C(O)[C@H]1C[C@]13CCOc1ccccc13)OCO2 328596223 XQPMMDISTGFTFN-BLVKFPJESA-N 338.363 3.326 30 50 EGEA CC1(C)OB(c2ccc3c(cnn3[C@H]3CCCCO3)c2)OC1(C)C 169905420 GXJMPLXLXKDVGV-MRXNPFEDSA-N 328.221 3.035 30 50 EGEA in-vitro C=CCn1c(SCOCC(F)(F)F)nnc1-c1ccncc1 170617565 KAHOLFMWNMNMJM-UHFFFAOYSA-N 330.335 3.155 30 50 EGEA CC#CC(=O)N1CCC(CCCc2ccccc2)(C(=O)OCC)CC1 12582663 AUAOJFVYFJWBCK-UHFFFAOYSA-N 341.451 3.205 30 50 EGEA O=C1C[C@H](/C(O)=N/[C@@H]2CCc3cc(Cl)ccc32)CN1c1cn[nH]c1 330088826 VCSZAMZBPVGAQO-XHDPSFHLSA-N 344.802 3.060 30 50 EGEA CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H](c1ccccc1)C(C#N)C#N 233298 IBBUNMDCCDIBFL-RTBURBONSA-N 328.375 3.472 30 50 EGEA C=CCOc1c(I)cc(C=O)cc1OCC 2768015 XUDOKYIBWDDHMK-UHFFFAOYSA-N 332.137 3.067 30 50 EGEA N#Cc1cccc(N2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)n1 67712824 WJBSTONTGBPDAL-IBGZPJMESA-N 341.842 3.428 30 50 EGEA CC(C)(C)S(=O)(=O)/C(C#N)=N/Nc1ccc(Cl)c(Cl)c1 3047555 WFONVRGSCXZTHU-GZTJUZNOSA-N 334.228 3.456 30 50 EGEA N#Cc1ccc(N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)nc1 253420068 CXLKOHGNZXOYBE-MRXNPFEDSA-N 330.395 3.122 30 50 EGEA N#C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(NC(=O)C3CCC3)cn2)C1 2325797269 KAQMTPCBXHQSAO-CHWSQXEVSA-N 326.400 3.089 30 50 EGEA N#Cc1c2n(c3c(=O)n(Cc4ccccc4Cl)cnc13)CCCC2 478654 RTWDFEVICFSTIG-UHFFFAOYSA-N 338.798 3.108 30 50 EGEA Cc1ccc2c(c1)[C@@](O)(CC(=O)/C=C/C=C/c1ccccc1)C(=O)N2 1832016 OIXSHZJIDWYQQO-DVFCLZDLSA-N 333.387 3.364 30 50 EGEA biogenic CC(C)c1cnc(S[C@H](C)C(=O)NC2(C#N)CCC2)n1C1CC1 225532183 CNORNQDSTRQMPD-GFCCVEGCSA-N 332.473 3.384 30 50 EGEA CCN(CC)/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1 100607161 QTMKLFSJAVHCMP-HNENSFHCSA-N 330.453 3.472 30 50 EGEA Cc1ccc(C#N)c(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1 67457871 CIVLBYIEJFNRGW-UHFFFAOYSA-N 333.370 3.166 30 50 EGEA COc1ccc(C#N)cc1CN1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 253395490 ULRPXODJRUSOOH-YJBOKZPZSA-N 344.361 3.153 30 50 EGEA C=CCn1cc(-c2cc(-c3ccc(O)cc3F)nc(N)c2C#N)cn1 71771829 VLVKSAJAXTWQNN-UHFFFAOYSA-N 335.342 3.097 30 50 EGEA C#CCCC1(CCNC(=O)c2sc(-n3cccc3)nc2CC)N=N1 2325891330 ABXDXLYXCOEXSU-UHFFFAOYSA-N 341.440 3.192 30 50 EGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 4719751 DYURMMHZFXOREN-QGZVFWFLSA-N 329.371 3.357 30 50 EGEA C#Cc1cccc(C(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2)c1 12298148 XRLUYGVFZYZSPL-QFIPXVFZSA-N 346.474 3.447 30 50 EGEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)CCc2ccc(F)cc2)C1 328646965 SYQGSNMHTIINGV-UHFFFAOYSA-N 348.418 3.042 30 50 EGEA C[C@]1(Br)C[C@@H]1C(=O)NC1(c2ccc(C#N)cc2)CCC1 862144363 ZOVLTUYRCGSTNY-HIFRSBDPSA-N 333.229 3.227 30 50 EGEA C[C@H]1CCC[C@H](CC(=O)NC2CCN(c3ccncc3C#N)CC2)C1 1875339221 XBAZVGWYEWDKRE-HOTGVXAUSA-N 340.471 3.255 30 50 EGEA Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1[C@H](C)CCC[C@H]1C 169982305 YZFDQWPDMUUBNQ-CHWSQXEVSA-N 343.471 3.079 30 50 EGEA Cc1cccc(/C(N)=N/OC(=O)c2ccccc2Br)c1 4170081 YWZDFZMKMFEXOQ-UHFFFAOYSA-N 333.185 3.235 30 50 EGEA C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(C)=O 12390617 ICVZHNAESVXDEI-UHFFFAOYSA-N 332.425 3.082 30 50 EGEA N#Cc1cc(C2=Nc3ccc(Br)cc3NC(=O)C2)ccn1 100765996 KMKZCMKOSAKVGY-UHFFFAOYSA-N 341.168 3.179 30 50 EGEA in-vitro N#Cc1ccc(Cn2oc3ccccc3c2=O)c(Br)c1 225793212 JIXZBHYXJDIJQS-UHFFFAOYSA-N 329.153 3.277 30 50 EGEA C=CCn1c(CC(C)C)nnc1SCC(=O)Nc1ccccc1 6701075 SBKAAYDQRSTREP-UHFFFAOYSA-N 330.457 3.393 30 50 EGEA CC(C)=C[C@@H]1[C@@H](C(=O)[C@H](C#N)c2nnc3n2CCCCC3)C1(C)C 248203499 YABIVITXGIMWIO-LZWOXQAQSA-N 326.444 3.419 30 50 EGEA CC(=O)c1[nH]c(C)c(C(=O)N(CC#Cc2ccccc2)C2CC2)c1C 65383012 MPOXBBILQVDNNE-UHFFFAOYSA-N 334.419 3.490 30 50 EGEA C[C@H](C1CC1)n1cc(N=C(O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)cn1 329828010 IZTVZPCDWXKWNC-WQVCFCJDSA-N 332.448 3.289 30 50 EGEA COc1ccc(C)nc1N=C(O)N1CCCCC[C@H]1c1noc(C)n1 328587450 USVQMGZLWYCUBG-ZDUSSCGKSA-N 345.403 3.253 30 50 EGEA CCCn1nccc1C1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 374300860 FVQNFBRWMQCLTR-HXUWFJFHSA-N 338.455 3.078 30 50 EGEA CCCO[C@@H]1CCCN(C(=O)Nc2ccc(OCC)c(C#N)c2)C1 299761390 WAYKBTSVVFNBQO-MRXNPFEDSA-N 331.416 3.380 30 50 EGEA N#Cc1c(F)cccc1C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 189038097 JTBUWCNYGDISCA-QGZVFWFLSA-N 328.318 3.050 30 50 EGEA N#CC(CCn1cnc([N+](=O)[O-])n1)(c1ccccc1)c1ccccc1 193067388 MDRACNWBPNYWRR-UHFFFAOYSA-N 333.351 3.086 30 50 EGEA CC1(C)OB(c2cc(F)ccc2NC(=O)c2ccccc2)OC1(C)C 404906688 DSBCXFZLPGVFCY-UHFFFAOYSA-N 341.191 3.377 30 50 EGEA O=C(O)C#CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1857779282 YFHVXXFPFZNPJB-UHFFFAOYSA-N 347.370 3.146 30 50 EGEA C=CCOc1ccccc1CN1C[C@@H](Cc2cc(C)no2)[C@@H](OC)C1 1704356982 NDVCBXMNHXMEQY-XLIONFOSSA-N 342.439 3.237 30 50 EGEA COc1ccc(/C=C/C(=O)c2c(O)cc(OC)cc2OC)c(OC)c1 4252736 IAUDUEQNUVKNBT-SOFGYWHQSA-N 344.363 3.323 30 50 EGEA in-vitro C=C(C)COc1cccc(C(=O)NCCc2[nH]nc3c2CCCC3)c1 55404559 TWIBDZNKACEIBS-UHFFFAOYSA-N 339.439 3.216 30 50 EGEA CCCC/N=C(/O)Cc1noc(-c2ccccc2N=C(O)OC)n1 328595316 QWXBZRFUHBIKPJ-UHFFFAOYSA-N 332.360 3.228 30 50 EGEA COc1cccc(Cl)c1CN/C(O)=N/C[C@H]1CCC(C)(C)O1 331070724 CVFSANXQCUAWMU-LLVKDONJSA-N 326.824 3.310 30 50 EGEA Cc1cc(C)c(N=C(O)N2CCC[C@H](CNC(=O)C(C)C)C2)c(C)n1 331290294 BCOOFOJXGHQEGO-MRXNPFEDSA-N 346.475 3.037 30 50 EGEA N#Cc1ccc(N2CCC(C(=O)NC[C@H]3CC[C@H](F)C3)CC2)c(F)c1 1875276969 RSIGACRLXFGHQV-HOCLYGCPSA-N 347.409 3.168 30 50 EGEA Cc1cccc(/C(N)=N/OC(=O)c2cccc(Br)c2)c1 4170092 FRATZGCRYMOVNW-UHFFFAOYSA-N 333.185 3.235 30 50 EGEA Cc1cc(N=C(O)c2coc(C3CCOCC3)n2)nc(C(C)C)n1 329991148 JPTNQKLLEAKNPI-UHFFFAOYSA-N 330.388 3.427 30 50 EGEA C#CC[C@@H]1CCCN(C(=O)[C@@H](NC(=O)c2ccccc2)[C@H](C)CC)C1 843682905 ZNBIPDBKRLOAIL-LMMKCTJWSA-N 340.467 3.093 30 50 EGEA S[C@H](COCc1ccccc1)CN1CCN(c2ccccc2)CC1 55464355 QJXSVJCMRJTVAZ-FQEVSTJZSA-N 342.508 3.324 30 50 EGEA C[C@H](/N=C(/O)NC1CCC(O)(c2ccccc2)CC1)c1ccncc1 328587437 SJBGNODYGNCJFI-IJNIYJAUSA-N 339.439 3.477 30 50 EGEA C=CCOC(=O)[C@H]1CC=CC[C@@H]1C(=O)OCc1ccc(F)cc1F 23279732 TVWMSLAJFYBAJH-GJZGRUSLSA-N 336.334 3.320 30 50 EGEA CC(C)(C)OC(=O)Nc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 238791284 MCDIRUIEFGVOSR-UHFFFAOYSA-N 337.200 3.472 30 50 EGEA CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CC[C@](F)(C#N)C2)cc1 170604672 PVLDCBPUJZTREX-SFHVURJKSA-N 347.390 3.040 30 50 EGEA N#CCc1ccc(NC(=O)NC[C@H](O)c2c(F)cccc2Cl)cc1 741395810 REWOQLKUOCBUSX-HNNXBMFYSA-N 347.777 3.400 30 50 EGEA Cc1ccc(S(=O)(=O)N/N=C2\[C@H]3C=CC=C[C@@H](C=C3)[C@@H]2C)cc1 1501065324 NJKAGWLHGKJNOV-ZKKRSPMMSA-N 328.437 3.194 30 50 EGEA Cc1cccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccccc3C)S2)c1 1225565 CDLALEXHSZYITE-XNHPLOEXSA-N 337.448 3.468 30 50 EGEA N#Cc1ccccc1C(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857675239 OYDNYYGWBUBVKK-UHFFFAOYSA-N 342.402 3.189 30 50 EGEA CCc1nc(C#N)cc(N[C@@H](C)c2cccc(N3CCOC3=O)c2)n1 853232692 HQPXPBMXZWPBHH-LBPRGKRZSA-N 337.383 3.040 30 50 EGEA CCOc1cc(C#N)ccc1OCC(=O)N1CCCc2ccccc21 4840146 QRJLEDFIOICTGU-UHFFFAOYSA-N 336.391 3.315 30 50 EGEA C=C(C)COc1ccccc1C(=O)N[C@@H](CC(C)C)c1ncnn1C 55254684 SRFNDNGSRBHXHL-INIZCTEOSA-N 342.443 3.287 30 50 EGEA C=CCn1c(SCc2nccn2C)nnc1-c1cccc(C)c1 133065141 LNUQZXADPOLBDO-UHFFFAOYSA-N 325.441 3.465 30 50 EGEA C=C(C)CN(CC)[C@@H]1CCC(=O)N(Cc2cccc(OC)c2)CC1 14984378 AJSBAYVOTTUNJG-GOSISDBHSA-N 330.472 3.474 30 50 EGEA CC1=CC(=NOC(=O)c2ccccc2Br)C=C(C)C1=O 457373 HOCRGYFSXWHUAU-UHFFFAOYSA-N 334.169 3.437 30 50 EGEA COc1cc2c(cc1-c1cc(-c3ccco3)nc(N)c1C#N)OCCO2 67743009 RSDJXJXZLGFERJ-UHFFFAOYSA-N 349.346 3.242 30 50 EGEA N#Cc1cc(N2CCC(CCCn3ccnc3)CC2)ccc1[N+](=O)[O-] 361626338 ILOAEHXGICLOBS-UHFFFAOYSA-N 339.399 3.360 30 50 EGEA CC(=O)OC[C@H]1[C@@H]2[C@@H]3CCC4=C3[C@H]3[C@@H]2[C@H]2[C@H]1[C@H]1CCC[C@H]1[C@H]2[C@H]3C4=O 257346383 ACNQABZCVSHDBM-AKEPHJSUSA-N 338.447 3.239 30 50 EGEA Cc1ccc(C#N)c(N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)n1 225519980 XMOHVPIPVZQZOX-GFCCVEGCSA-N 335.333 3.388 30 50 EGEA Cc1ccc(N2CCCN(c3ccc(C#N)c(Cl)c3)CC2)nn1 241774139 RNIMWFGKKZAHJT-UHFFFAOYSA-N 327.819 3.027 30 50 EGEA CCSc1nc2n(n1)[C@H](c1ccc(O)cc1)C1=C(CCCC1=O)N2 6677827 UQTSNYYCGBHOBP-OAHLLOKOSA-N 342.424 3.118 30 50 EGEA CCOc1cc([C@@H](C#N)N2CCO[C@@H](c3ccccc3)C2)ccc1O 170594280 HCLZRSWNXNLSIT-YLJYHZDGSA-N 338.407 3.429 30 50 EGEA N#CC1(C(=O)N2CCc3[nH]nc(-c4cccc5ccccc45)c3C2)CC1 67833637 RRZMTDGSQIGOQQ-UHFFFAOYSA-N 342.402 3.418 30 50 EGEA CCCn1c(SCC(=O)Nc2sccc2C#N)nnc1C(C)C 6400238 WJBFECJUXKVQGE-UHFFFAOYSA-N 349.485 3.475 30 50 EGEA Cc1nc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c(C)s1 216341633 LHILDVWLCQRBAG-UHFFFAOYSA-N 325.437 3.458 30 50 EGEA N#C[C@H]1CCCN(C(=O)NCc2csc(-c3ccccc3)n2)C1 426505891 SBTSSRRDCKIDKR-CYBMUJFWSA-N 326.425 3.255 30 50 EGEA O=c1c2[nH]c3ccc(Cl)cc3c2ncn1N=Cc1cccc(O)c1 252679150 INMJJNDTEAILRS-UHFFFAOYSA-N 338.754 3.119 30 50 EGEA C=CCN1C(=O)[C@](O)(CC(=O)/C=C/c2ccccc2)c2ccccc21 299871 KLNMNCREQVFYHE-IWGBCORSSA-N 333.387 3.079 30 50 EGEA CCc1nsc(N2CCCN(c3cc(Cl)ccc3C#N)CC2)n1 301414237 BMEQPJIZUKHYBT-UHFFFAOYSA-N 347.875 3.342 30 50 EGEA CC1(C)OB(CC23CC(I)(C2)C3)OC1(C)C 1857786167 XVGBNTIYFDNSIT-UHFFFAOYSA-N 334.006 3.436 30 50 EGEA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(O)=Nc1ccc2ccoc2c1 329037875 NKQQHVDLIZSBOG-IXDOHACOSA-N 344.411 3.494 30 50 EGEA N#C[C@H]1CCCC[C@H]1OC(=O)CN1C(=O)CCCc2sccc21 170623083 GFIMCSGNRQCPCM-TZMCWYRMSA-N 332.425 3.043 30 50 EGEA N#Cc1cccnc1N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 128257074 PDBYCCVVOOCCRF-CABCVRRESA-N 333.313 3.284 30 50 EGEA C[C@@H](OC(=O)C[C@@H](NC(N)=O)c1ccccc1)c1ccc(C#N)s1 2325874174 COKGIHBXOOQDJT-BXUZGUMPSA-N 343.408 3.024 30 50 EGEA N#CCCN(CCC#N)C(=O)COc1ccc(Cl)cc1Cl 2855705 CUTVKDDDUJIWHK-UHFFFAOYSA-N 326.183 3.028 30 50 EGEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNc1ccc(Cl)c(C#N)n1 886080299 UPNLNYUJNBREET-PXAZEXFGSA-N 345.834 3.147 30 50 EGEA N#Cc1ccc(Br)c(CN2C(=O)CC3(CCCC3)C2=O)c1 276826411 AJFXXWSIGPFIBF-UHFFFAOYSA-N 347.212 3.140 30 50 EGEA CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1cccc(F)c1 80198 NMZKQWZQSHTDQX-INIZCTEOSA-N 327.311 3.020 30 50 EGEA CC(C)(C)C1=CCN(CC/N=C(/O)[C@H]2CCc3c[nH]nc3C2)CC1 329121000 VXURKQLFGYZWHH-AWEZNQCLSA-N 330.476 3.149 30 50 EGEA N#Cc1c(N)nc2c(c1-c1cccc(O)c1)CN(c1ccccc1)CC2 71771455 PMGHUUMZBLMGJP-UHFFFAOYSA-N 342.402 3.471 30 50 EGEA CCc1nn(C)c(CC)c1C/N=C(/O)N1CC=C(C(F)(F)F)CC1 330466238 HIERHDCHHBDHFF-UHFFFAOYSA-N 344.381 3.153 30 50 EGEA N#Cc1ccc(Nc2cccc(C(=O)N3CC([C@H]4CCOC4)C3)c2)cc1 366225574 RXPGMPWFEROHJQ-KRWDZBQOSA-N 347.418 3.410 30 50 EGEA N#Cc1cccnc1N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72163473 FZNKOFTZJZXTIX-VAMGGRTRSA-N 330.435 3.020 30 50 EGEA N#C[C@@H](C(=O)c1ccc(Cl)c(F)c1)c1nnc2n1CCCCC2 161985262 ONIVDCOWLJJVDA-NSHDSACASA-N 332.766 3.287 30 50 EGEA C=CC[C@@]1(OC)C=C2C(=CC1=O)O[C@@H](c1ccc3c(c1)OCO3)[C@H]2C 238755229 HCKMSYACKQLOPY-NXXCRTJYSA-N 340.375 3.477 30 50 EGEA biogenic N#CC1(C#N)[C@@H](c2cccs2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 245327370 PADCIVFBXXREEE-UTJXIGIESA-N 338.392 3.257 30 50 EGEA Cc1ccc(S(=O)(=O)NN=Cc2c(O)ccc3ccccc23)cc1 254834036 RGNFUPWYQNYCNG-UHFFFAOYSA-N 340.404 3.166 30 50 EGEA C=C(C)COc1ccccc1NC(=O)[C@H](C)N1C[C@H](C)O[C@H](C)C1 952961614 GKYAAIAWSOZULK-XHSDSOJGSA-N 332.444 3.078 30 50 EGEA COc1cc(/C(C)=N/N2CCN(c3ccccc3)CC2)cc(C)c1O 5570677 LWUDCCVBIFYKGE-LTGZKZEYSA-N 339.439 3.255 30 50 EGEA OCC#Cc1csc(CN2CCC(OCc3ccccc3)CC2)c1 383868909 WQPRDVLJIXFCLZ-UHFFFAOYSA-N 341.476 3.273 30 50 EGEA C#CCCC1(CCC(=O)N(C)[C@H](c2ccccc2)c2ncc[nH]2)N=N1 2325886386 UYRGKKNFBSUSGA-QGZVFWFLSA-N 335.411 3.313 30 50 EGEA C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21 299851 JJFITTKCFGEHJI-IBGZPJMESA-N 341.794 3.333 30 50 EGEA COc1cccc(C(=O)/C=C/Nc2ccc([N+](=O)[O-])cc2OC)c1 4881668 UUZGQLZKTSDHHJ-CMDGGOBGSA-N 328.324 3.421 30 50 EGEA CCOC(=O)C1=C(C)N(CC#N)C(=O)C[C@@H]1c1ccc(Cl)cc1 1397991 AKNGXSQGXQAXKN-CQSZACIVSA-N 332.787 3.017 30 50 EGEA N#Cc1cc(CN2CCC[C@@H](c3nnc4ccccn34)C2)ccc1F 176896086 WZIADQLYEYHZRU-OAHLLOKOSA-N 335.386 3.120 30 50 EGEA CCN1CC[C@H](CN(CC)Cc2ccc(C#CC(C)(C)O)s2)C1 952868153 CDYOKCDPAFRCDY-INIZCTEOSA-N 334.529 3.034 30 50 EGEA O=C(O)c1ccccc1/C=N/n1c(-c2ccc(F)cc2)n[nH]c1=S 1235378 LEDPKKZZJLJKMK-GIJQJNRQSA-N 342.355 3.327 30 50 EGEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1OCc1ccccc1 206431791 NWTRYBYUNXPJAL-UHFFFAOYSA-N 325.217 3.268 30 50 EGEA C[C@@H]1CCCCN1CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 303246360 QNJFPGPSCWAIRH-MRXNPFEDSA-N 345.292 3.239 30 50 EGEA Cc1ccnc(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c1C#N 225519630 JLYVTWLEJDIXGD-NSHDSACASA-N 335.333 3.388 30 50 EGEA N#Cc1cccnc1SCC(=O)Nc1ccccc1Br 7051622 DPAFPHISVDZNTI-UHFFFAOYSA-N 348.225 3.447 30 50 EGEA Cc1c(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cnn1C(C)(C)C 328588184 YVRNSNSBFAWNHL-APWZRJJASA-N 344.459 3.014 30 50 EGEA N#Cc1ccc(Nc2cccc(C(=O)N=c3cc4n([nH]3)CCC4)c2)cc1 1875302165 CAGUJBBZDRSBJC-UHFFFAOYSA-N 343.390 3.119 30 50 EGEA CCc1cccc2c(NC3CCN(C(=O)C4CC4)CC3)c(C#N)cnc12 170632246 JLCXPQNZCOIBNX-UHFFFAOYSA-N 348.450 3.482 30 50 EGEA Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 442000 MKWVMGVIWURRLD-VXLYETTFSA-N 342.342 3.326 30 50 EGEA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O/N=C(\N)c1ccccn1 5077978 QYBPMZPKENTRAW-ZDUSSCGKSA-N 341.411 3.010 30 50 EGEA COC(=O)c1sc2ccc([N+](=O)[O-])cc2c1/N=N/C(C#N)C#N 5320265 TZLQIMUAEMNZJS-WUKNDPDISA-N 329.297 3.096 30 50 EGEA Cc1ccc(C#N)cc1S(=O)(=O)N(C)[C@H](C)Cc1cccc(F)c1 416562149 PMPYDUGWRDVFGL-CQSZACIVSA-N 346.427 3.258 30 50 EGEA N#Cc1ccc(CCC(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1 365381672 VOONZOVUGOHVLK-LJQANCHMSA-N 338.382 3.230 30 50 EGEA N#CC1(c2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@H]3O)cc2)CC1 253623521 YARWZKPHFHRKLL-GUDVDZBRSA-N 338.451 3.397 30 50 EGEA N#Cc1ccc(NC(=O)Cc2ccccc2OC(F)F)cc1C#N 173100311 UMUYLRVGBVEHFD-UHFFFAOYSA-N 327.290 3.213 30 50 EGEA N#CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)CC1 82087177 GBHIWHAMODGQMN-UHFFFAOYSA-N 330.391 3.377 30 50 EGEA COc1ccc(NC(=O)N2CCC(c3ccncc3)CC2)cc1C#N 95531500 KRYIUHDLLWPMFT-UHFFFAOYSA-N 336.395 3.373 30 50 EGEA O=C1CCC(c2ccccc2)=C1CC(=O)N1CCC[C@]2(CCOC2)C1 91547086 UIQKYHSQAGIRAM-NRFANRHFSA-N 339.435 3.222 30 50 EGEA COc1cccc(/C(C)=N\N2CCN(c3ccccc3OC)CC2)c1 5058980 UTEQKVGIGNGNQB-PGMHBOJBSA-N 339.439 3.250 30 50 EGEA CCc1onc(C)c1N=C(O)[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C 328609772 FUDZRXROPXGYCO-LRDDRELGSA-N 332.404 3.262 30 50 EGEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1 100418185 SGQWPKUDDYBADT-LBPRGKRZSA-N 346.814 3.058 30 50 EGEA N#CC1(c2ccc(C(=O)N3CC[C@H](O)c4ccccc4C3)cc2)CC1 375781224 VDUYZFJDOCMENS-IBGZPJMESA-N 332.403 3.321 30 50 EGEA CN1CCCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c2ccccc21 241171009 KDNNVFWEOZQNIW-SFHVURJKSA-N 344.418 3.114 30 50 EGEA C#CCCC1(CCC(=O)Nc2cc3c(cc2F)CCC(=O)N3)N=N1 952881988 QVEBMMVEMYCAHE-UHFFFAOYSA-N 328.347 3.005 30 50 EGEA CCOc1cc(/C=N/NC(=S)Nc2ccc(F)cc2)ccc1O 5576256 TXENADAVLFYPIM-VCHYOVAHSA-N 333.388 3.251 30 50 EGEA C=CC[C@@H]1N(C(=O)c2cccc(OCC(=O)O)c2)CCCC1(C)C 668321762 YZBFQYUTJGNXNG-INIZCTEOSA-N 331.412 3.357 30 50 EGEA C#CCn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 7542999 ZEWGLXVPCVQNHO-INIZCTEOSA-N 347.393 3.325 30 50 EGEA COc1cc(NC=C2C(=O)c3ccccc3C2=O)cc(OC)c1OC 441911 MZFOMBMKAKXBMA-UHFFFAOYSA-N 339.347 3.087 30 50 EGEA CCCOc1ccc(C2=[N+]([O-])[C@]3(CCCCC3=O)N(O)C2(C)C)cc1 4857568 OTHKTCYNJSXXAK-LJQANCHMSA-N 346.427 3.098 30 50 EGEA C=C(C)CN[C@H](C(=O)OCC)c1c(C)nn(-c2ccccc2)c1C 225496172 GVTODGWSQSTIJF-SFHVURJKSA-N 327.428 3.259 30 50 EGEA CC(C)OC(=O)C(=O)/C=C(\Nc1ccc(O)cc1)c1ccccc1 100745146 IRODDMKJKSADTG-ATVHPVEESA-N 325.364 3.366 30 50 EGEA biogenic C=CCNc1ccccc1C(=O)N(CC)Cc1noc(CCC)n1 65527785 KHECXCNSAJNILB-UHFFFAOYSA-N 328.416 3.282 30 50 EGEA N#Cc1cc2c(nc1N1CCC[C@@H](OCc3ccccn3)C1)CCCC2 77504726 SIAVXLRNCLPWPJ-LJQANCHMSA-N 348.450 3.413 30 50 EGEA CC(C)Oc1ccccc1-c1cc(-c2cnn(C)c2)c(C#N)c(N)n1 71765618 PLIWODQTEOMKJU-UHFFFAOYSA-N 333.395 3.390 30 50 EGEA CN1CC[C@@H](N(C)C(=O)c2ccc(-c3ccc(F)c(C#N)c3)cc2)C1 426612678 KWOCRKTWKLPBHF-GOSISDBHSA-N 337.398 3.140 30 50 EGEA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(Cc1cc(C#N)c(C)[nH]1)CC2 299785742 LLTIFDKEJWOKSP-HSALFYBXSA-N 343.471 3.133 30 50 EGEA COC(=O)c1sc(NC(=O)CSc2ccccc2)c(C#N)c1C 4750376 GTYAPUYNMGFZIZ-UHFFFAOYSA-N 346.433 3.446 30 50 EGEA CN1C(=O)COc2cc(N=C(O)N3[C@H]4CC[C@H]3c3ccccc34)ccc21 328598320 LFPOADFZZGWSRW-HOTGVXAUSA-N 349.390 3.479 30 50 EGEA COc1ccc(NC(=O)NCC2CCC(C#N)CC2)c(OC)c1OC 282407874 XQVPVARKRBNUTC-UHFFFAOYSA-N 347.415 3.164 30 50 EGEA N#CCc1cccc(NC(=O)N2CC[C@H](CN3CCCCC3)C2)c1 455902749 HLKITRMPONETPW-QGZVFWFLSA-N 326.444 3.092 30 50 EGEA C=CCn1c(SCC[C@H]2CC2(F)F)nnc1C1CCNCC1 426377818 ALXLZQNWJBBDMI-LBPRGKRZSA-N 328.432 3.069 30 50 EGEA C[C@H]1CCC[C@@H](CC(=O)NC2CCN(c3ccncc3C#N)CC2)C1 1875339223 XBAZVGWYEWDKRE-JKSUJKDBSA-N 340.471 3.255 30 50 EGEA Cc1cc(C(=O)N(C)Cc2cccc(C#N)c2)nn1-c1ccccc1 170623907 VJMWYVLAAVUUDN-UHFFFAOYSA-N 330.391 3.325 30 50 EGEA N#Cc1ccc(N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)cn1 280416155 JKLXAUVUQSOFOT-CJNGLKHVSA-N 333.313 3.284 30 50 EGEA CC1=CC(=O)O[C@H](/C=C(\C)CCC[C@](C)(O)C2=CC(=O)C(C)(C)O2)C1 205972582 BNEONHJMPXMLIV-TWSSUNLLSA-N 348.439 3.378 30 50 EGEA biogenic C=C(C)C[C@@H](C)C(=O)N[C@H](c1cccc(OC)c1)c1nccn1C 375130113 YLVSJUZCSPMKET-RHSMWYFYSA-N 327.428 3.237 30 50 EGEA CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc([N+](=O)[O-])cc1 8465627 UXJIWGFMOOJHPL-MRXNPFEDSA-N 346.383 3.460 30 50 EGEA Cc1[nH]c2ccccc2c(=O)c1C[C@H](C#N)C(=O)Nc1ccccc1 65365736 PMQOMUSKYGDVKM-CQSZACIVSA-N 331.375 3.158 30 50 EGEA Cc1ncc(N=C(O)[C@@H](C)Cc2c(C)nn(C)c2C)c(C2CC2)n1 328754057 DNDIVLHAWJDUDC-JTQLQIEISA-N 327.432 3.480 30 50 EGEA O=S1(=O)CCC[C@H](C/N=C(/O)CC23CC4CC(CC(C4)C2)C3)C1 329302995 WQNUIMUWKWWRMX-ZZFFKQLHSA-N 339.501 3.374 30 50 EGEA COc1cccc([C@H]2C[C@H](O)CN2c2c(F)cc(C#N)cc2F)c1 283340996 AZRAWXKXAXITNI-SUMWQHHRSA-N 330.334 3.157 30 50 EGEA CC(C)(C)OC(=O)NCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 196392071 MGDIIQXOACAHIU-UHFFFAOYSA-N 347.264 3.053 30 50 EGEA CC1(C)OB(c2cc(C(F)(F)F)nc(C(F)(F)F)c2)OC1(C)C 224394452 BUORERSKCOUNGU-UHFFFAOYSA-N 341.060 3.418 30 50 EGEA O=S(=O)(N/N=C/c1cc(Cl)ccc1O)c1ccc(Cl)cc1 442013 GEWCDEYVNBYFFI-LZYBPNLTSA-N 345.207 3.011 30 50 EGEA C=CCn1nc(C)c(C(=O)N2CCC[C@@]3(CCC[C@H]3OC)C2)c1C 1704340052 DZVHSWSIOXAHCU-APWZRJJASA-N 331.460 3.107 30 50 EGEA Cc1ccccc1C[C@@H]1S/C(=N/N=C/c2ccccc2F)NC1=O 5061111 WCLQZOYURLVRTC-YODDIOPGSA-N 341.411 3.298 30 50 EGEA COc1ccc(OC)c(/C=N/NC(=S)Nc2ccc(F)cc2)c1 2506452 XNRYYPYXJBYGPX-VCHYOVAHSA-N 333.388 3.163 30 50 EGEA C#CCCC1(CCNC(=O)c2c[nH]cc2-c2csc(C)n2)N=N1 2325887306 FHONTINEOVWNNW-UHFFFAOYSA-N 327.413 3.142 30 50 EGEA N#Cc1c(NC(=O)CSc2ncccn2)sc2c1CCCC2 469966 CHAANZMTHFOIAO-UHFFFAOYSA-N 330.438 3.019 30 50 EGEA CC(C)(C)C(=O)N1CCOc2ccc(N=C(O)N3CCCCO3)cc21 328586385 IXUMESMPTLIPLD-UHFFFAOYSA-N 347.415 3.031 30 50 EGEA N#C[C@H]1N(C(=O)Cc2ccc(Cl)s2)CCC[C@]12CCCCO2 253395332 ZQPPQTQJZQZPPD-CZUORRHYSA-N 338.860 3.398 30 50 EGEA N#Cc1cc2c(nc1N1CCC[C@H](OCc3ccccn3)C1)CCCC2 77504727 SIAVXLRNCLPWPJ-IBGZPJMESA-N 348.450 3.413 30 50 EGEA C[C@H](CC1CCCC1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 241383386 MUZKANIISIPJEJ-FVQBIDKESA-N 349.475 3.078 30 50 EGEA Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 180521431 OXBJCYPVJLKSTA-SFHVURJKSA-N 334.423 3.052 30 50 EGEA C=CCc1cc(CN2CCC[C@H]2C2(O)CC2)cc(OCC)c1OC 1772813846 WMTMKKYUWJUNJA-SFHVURJKSA-N 331.456 3.312 30 50 EGEA C=CCOc1ccccc1/C=C1/C(=O)NN(c2ccc(C)cc2)C1=O 5009721 JNONDGBKXPEGDH-LGMDPLHJSA-N 334.375 3.021 30 50 EGEA CC#CC(=O)N1CCC(Cc2ccc(Cl)cc2)(C(=O)OCC)CC1 12072466 LLTDBMOXIUBEQL-UHFFFAOYSA-N 347.842 3.078 30 50 EGEA CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc2c(c1)OCO2 2462596 QSSRFIRPIYTBRR-QGZVFWFLSA-N 345.395 3.280 30 50 EGEA C#CCCC1(CCNC(=O)c2cccc([C@@H]3CCCN(C)C3)c2)N=N1 2325891708 WXVDSGMFCBAANH-GOSISDBHSA-N 338.455 3.191 30 50 EGEA C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)cc2C)c2ccccc21 299846 DHMKVZXCKRATBD-OAQYLSRUSA-N 335.403 3.297 30 50 EGEA N#Cc1nc(/C=C/c2cccs2)oc1NCCCn1ccnc1 4810281 LTXPHQJCAWIOPW-SNAWJCMRSA-N 325.397 3.477 30 50 EGEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cc2n(n1)CCNC2 65384424 OCFOXIYCEGXQCH-XLIONFOSSA-N 348.450 3.074 30 50 EGEA Cc1cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)nn1[C@H](C)C1CC1 329950520 MJPULILJEPMJPW-VFNWGFHPSA-N 348.450 3.344 30 50 EGEA N#Cc1cc(C(=O)NC[C@@H]2CCCN(c3ccccc3)C2)ccc1F 375145882 DKENDBYWHHZYRV-HNNXBMFYSA-N 337.398 3.344 30 50 EGEA N#CC1(C#N)[C@@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@@H](c1ccccc1)O3 226940712 YDHPTFXGAJFNQY-OSGQAZFXSA-N 332.363 3.195 30 50 EGEA O=C1/C(=C/c2ccc3c(c2)CCO3)COc2c1cc(F)cc2[N+](=O)[O-] 181476950 SWKYJSBKUAMNPZ-WUXMJOGZSA-N 341.294 3.328 30 50 EGEA N#CCCCC(=O)N[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 1463526475 JYJKEOUEFWKEOR-MRXNPFEDSA-N 339.361 3.003 30 50 EGEA Cc1nc(-c2cc3c(s2)CCN(c2cc(C#N)ncn2)C3)cs1 408514538 MUCWTZRQXPPDJU-UHFFFAOYSA-N 339.449 3.404 30 50 EGEA C=CCCC(=O)N1CCC[C@H](CNC(=O)c2ccccc2Cl)C1 12031217 DXOZJFJGHCYVBQ-CQSZACIVSA-N 334.847 3.275 30 50 EGEA C#CCCC1(CCC(=O)N(Cc2ccccc2)[C@@H]2CCOC2)N=N1 2325900336 ULCNEEMIKSHTMT-QGZVFWFLSA-N 325.412 3.160 30 50 EGEA Cc1ccccc1NC(=O)[C@H](C#N)Cc1c(C)[nH]c2ccccc2c1=O 65365644 YJTIVGXHHAJKMM-HNNXBMFYSA-N 345.402 3.466 30 50 EGEA CN1CC[C@@H](C/N=C(/O)CC[C@H]2CCCOC2)[C@@H]1c1cccnc1 328634213 TUGUQIWLNZHNQQ-AYBZRNKSSA-N 331.460 3.238 30 50 EGEA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2cc(C#N)cs2)n1C 328648081 UKFYYFMCQZFHQL-INIZCTEOSA-N 342.468 3.045 30 50 EGEA CC(C)[C@@H](/C(O)=N/C1CCN(c2nccn2C)CC1)c1cccnc1 328709060 BFVRJDYHKHPTCU-QGZVFWFLSA-N 341.459 3.180 30 50 EGEA O=C(/C=C\c1ccc(I)o1)c1cccnc1 37246057 KTGMOOGKHWHAQC-HYXAFXHYSA-N 325.105 3.175 30 50 EGEA C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 331645248 VNSQMSSXTBTINC-ZVDOUQERSA-N 340.467 3.423 30 50 EGEA C=CCn1cc(CN2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)c(C)n1 95381273 NEJHDYVDECEXEN-GOSISDBHSA-N 339.439 3.455 30 50 EGEA Cc1cccc2[nH]c(C3CCN(C(=O)c4ccc(C#N)nc4)CC3)nc12 91846040 KAGKFMMWHSUOSK-UHFFFAOYSA-N 345.406 3.158 30 50 EGEA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3ccc(C#N)c(Cl)c3)C2)o1 952891067 UYVSITKVGPYDNV-RISCZKNCSA-N 344.802 3.044 30 50 EGEA CC1(C)Cc2c(cnn2-c2ccccc2)CN(CCOCCC#N)C1 952892559 OPVNXGIDIRSKNT-UHFFFAOYSA-N 338.455 3.187 30 50 EGEA O/C(=N/[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@@H]1C[C@@H]1c1nc[nH]n1 328587958 KKJHVSUAKZSXMI-WUHRBBMRSA-N 347.216 3.183 30 50 EGEA O=C(NCc1ccncc1)c1ccc(C#CC2(O)CCCCC2)cc1 209764 ZNUBYTVKJHAOJO-UHFFFAOYSA-N 334.419 3.058 30 50 EGEA O=C(c1ccccc1)c1ccc(OC/C(O)=N/[C@H]2CC[C@@H](O)C2)cc1 328592084 XGKKJDSQKLXPDQ-DLBZAZTESA-N 339.391 3.166 30 50 EGEA Cn1cc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)C2=CCCCCC2)cn1 328621671 AQBHFMHNVUNYRO-IRXDYDNUSA-N 334.439 3.180 30 50 EGEA N#CC1(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CCCC1 372918859 WAOWZZIHSROYEA-PXNSSMCTSA-N 344.430 3.100 30 50 EGEA C=CCOC(=O)[C@@H]1CC=CC[C@@H]1C(=O)OCc1ccc(F)cc1F 23279738 TVWMSLAJFYBAJH-CABCVRRESA-N 336.334 3.320 30 50 EGEA C=C(C)CN1CCC(NC2CCC(c3nc(CC)no3)CC2)CC1 183801485 LBZSHMVRNDQMPA-UHFFFAOYSA-N 332.492 3.288 30 50 EGEA CSc1ccc(Cl)c(C(=O)N[C@H](C#N)C(=O)OC(C)(C)C)c1 1775992930 WXCJYABZSUESLO-GFCCVEGCSA-N 340.832 3.026 30 50 EGEA Cc1cnn([C@@H]2CCCN(/C(O)=N/[C@@H]3CCCC34CCOCC4)C2)c1 328586313 XOUBMPILIWVZKB-IAGOWNOFSA-N 346.475 3.092 30 50 EGEA CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 447892 JDVZEATUSCXVGE-MRXNPFEDSA-N 337.335 3.106 30 50 EGEA CCOC(=O)C1=C(C)NC(=S)[C@H](C#N)[C@@H]1c1ccc(Cl)cc1 1206885 IWYVZHGOUDGWAV-OCCSQVGLSA-N 334.828 3.331 30 50 EGEA CCCCN(CC#CC(O)(c1ccccc1)c1ccccc1)CCO 2285519 BVVLMJNULJYIDK-UHFFFAOYSA-N 337.463 3.020 30 50 EGEA COc1ccccc1/C=C/c1nc(C#N)c(NC[C@H]2CCCO2)o1 4851012 GFHUHKKYJXSRFY-MYSGNRETSA-N 325.368 3.316 30 50 EGEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)[C@@H]2C[C@H]2C2CCCCC2)C1 328654521 XNCVLAIGMWPMGP-ZGUYJTEBSA-N 348.487 3.487 30 50 EGEA COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)cc2O)cc1OC 34252970 QIMAWMNCDJNNHI-FNORWQNLSA-N 344.363 3.323 30 50 EGEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)Cc2ccc(C)nc2)cn1 328619781 GFAJSQBSSPHBFM-FUHWJXTLSA-N 328.416 3.026 30 50 EGEA CC(C)c1ccc(C#N)c(N2CC[C@]3(CCCN(C(C)C)C3=O)C2)n1 91663740 QVRJVTHONJRWSI-HXUWFJFHSA-N 340.471 3.304 30 50 EGEA Cc1nc(C(=O)Nc2ccccc2C#N)nn1-c1cccc(Cl)c1 252491837 LWFUFNQVXDSKSU-UHFFFAOYSA-N 337.770 3.353 30 50 EGEA CCCCCCCCCCC[C@H](O)CC(=O)N[C@H]1CCOC1=O 38146040 IKQUESGRCDRZTI-HOTGVXAUSA-N 327.465 3.090 30 50 EGEA biogenic Cc1ccc2[nH]c3nc(N/N=C/c4ccc([N+](=O)[O-])cc4)nnc3c2c1 4611304 WGJFLGSMYUAOAZ-GIJQJNRQSA-N 347.338 3.169 30 50 EGEA COc1ccc(C#N)cc1CN1CCC2(CC1)C[C@H]2c1nnc(C)o1 363522254 NZYCYQSHULPMCV-INIZCTEOSA-N 338.411 3.028 30 50 EGEA Cc1ccnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)c1C#N 253426712 OCROMNLKAZSMHR-GOSISDBHSA-N 325.387 3.351 30 50 EGEA O=S(=O)(CCC(F)(F)F)/N=C(/O)[C@@H]1C[C@]12CCc1ccccc12 328595616 ZGDWXOCIZPHQKD-JSGCOSHPSA-N 347.358 3.129 30 50 EGEA N#Cc1nc(-c2ccccc2)oc1NCCC(=O)NCc1ccccc1 32594134 FMAIPIVRNACAOQ-UHFFFAOYSA-N 346.390 3.332 30 50 EGEA C=CC[C@]1(CO)CCCN(C(=O)c2c[nH]nc2C2CCCCC2)C1 91873344 YWXJMVLOXZCMCW-IBGZPJMESA-N 331.460 3.248 30 50 EGEA C#CCCCS(=O)(=O)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1 864096455 HWOQAWCQOPEITC-UHFFFAOYSA-N 347.415 3.248 30 50 EGEA C#CCC1(C(=O)NC2CCN(CC(F)(F)F)CC2)CCCCC1 408514387 KMCWEAGQQKZRBG-UHFFFAOYSA-N 330.394 3.103 30 50 EGEA CC(C)Oc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1 169936099 SEXJALCIYCYKAV-UHFFFAOYSA-N 331.143 3.187 30 50 EGEA in-vitro C#CCCN(CC)C(=O)[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 2325824833 SFHLPPXOTJPIOI-NSHDSACASA-N 341.238 3.440 30 50 EGEA CN1CCc2cc(/C=C3/S/C(=N\C4CCCC4)NC3=O)ccc21 130720512 VCJCQEVCINAVCJ-LFIBNONCSA-N 327.453 3.181 30 50 EGEA COc1ccc(/C=N/OCC(=O)O[C@H]2c3ccccc3C[C@@H]2F)cc1 1875266507 HUIIFMMNDHBJFH-URNPZBAUSA-N 343.354 3.224 30 50 EGEA N#C[C@@H](c1ccccc1)C1CCN(C(=O)/C=C/CN2CCCC2)CC1 1875338435 XZTUVBFUQJEWEF-ZGBFETHSSA-N 337.467 3.184 30 50 EGEA CC(C)c1nc([C@H]2CN(C(=O)c3ccc(C#N)cc3)C[C@@H]2C2CC2)n[nH]1 952848287 DPFRZGVMNHHDOA-SJORKVTESA-N 349.438 3.066 30 50 EGEA N/C(=N\OC(=O)c1cccc(F)c1)c1ccc(Br)cc1 4723192 OICRTTPGSQJHSG-UHFFFAOYSA-N 337.148 3.066 30 50 EGEA COc1cccc([C@@H]2C[C@@H](O)CN2Cc2cc(F)ccc2C#N)c1 282434652 ZDKDEJWWPRWJTH-MJGOQNOKSA-N 326.371 3.014 30 50 EGEA CC1(C)CN(C(=O)c2ccc(F)c(C#N)c2)C[C@@](C)(C(F)(F)F)O1 356331704 WMVIHJOZJHVJOQ-HNNXBMFYSA-N 344.308 3.269 30 50 EGEA Cc1cnn([C@@H]2CCCN(C(O)=Nc3cnc(C)nc3C3CC3)C2)c1 328587950 KFIWXVIOQMREEW-OAHLLOKOSA-N 340.431 3.050 30 50 EGEA Cc1cc(-c2c(C#N)c(N)nc3c2CN(C)CC3)ccc1N1CCCC1 72134325 YBLXOWXBADLOGL-UHFFFAOYSA-N 347.466 3.099 30 50 EGEA CC1(C)OB(c2cnn(-c3cccc(C(F)(F)F)c3)c2)OC1(C)C 203614732 XAVBVBJSXBLAKY-UHFFFAOYSA-N 338.138 3.190 30 50 EGEA C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 424833487 PBUFXQQUKZMGOK-JQWIXIFHSA-N 327.471 3.074 30 50 EGEA CN(Cc1ccc(F)c(C#N)c1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328629023 HUCYPBJQSHEVBP-PXNSSMCTSA-N 338.430 3.217 30 50 EGEA N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)c1 333685884 LWMVKNVRQKNMRZ-CZUORRHYSA-N 336.844 3.021 30 50 EGEA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3=CC(=O)[C@@]12C 254819998 QOBSXMNUZVHPQI-RXFVWQEYSA-N 344.451 3.487 30 50 EGEA N#Cc1ccc(C2CCN(C[C@@H](O)c3cccc(F)c3)CC2)nc1 879027061 QYNMKZZFSKZORC-LJQANCHMSA-N 325.387 3.005 30 50 EGEA N#Cc1ccc(C(F)(F)F)nc1Nc1cnn(C[C@H]2CCCO2)c1 301259342 FAROAQXURMVMIA-GFCCVEGCSA-N 337.305 3.091 30 50 EGEA NC(=S)N/N=C/c1ccccc1OCc1c(F)cccc1Cl 5236840 IIAGDIZRPHXRJK-UFWORHAWSA-N 337.807 3.225 30 50 EGEA CCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c2ccccc12 170004512 YNLAISRJFSUJDC-UHFFFAOYSA-N 339.244 3.279 30 50 EGEA N#Cc1ccc(-n2nccc2NC(=O)c2c(F)cc(C#N)cc2F)cc1 151458042 LBWNOMWKPGCSTO-UHFFFAOYSA-N 349.300 3.146 30 50 EGEA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1ccc(Cl)cc1C#N 285004151 YIHYTCZKARVUDO-FGTMMUONSA-N 334.847 3.228 30 50 EGEA CC(C)Oc1ccc(NC(=O)NC2CCC(C(=O)O)CC2)cc1C#N 263112898 VWIHSROXLPUVIN-UHFFFAOYSA-N 345.399 3.110 30 50 EGEA C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(O)c([N+](=O)[O-])c1 160153229 FSMUBQIPEIBAFM-UHFFFAOYSA-N 337.335 3.000 30 50 EGEA O=C1/C(=C(/O)CS(=O)(=O)c2ccccc2)Sc2ccccc21 334158924 BIMOEYKMJUKXSQ-SSZFMOIBSA-N 332.402 3.219 30 50 EGEA Cc1ccc(S(=O)(=O)N/N=C/c2[nH]c3ccccc3c2Cl)cc1 442047 JGVONKMMZMIBRG-VCHYOVAHSA-N 347.827 3.442 30 50 EGEA COc1ccccc1C/C(N)=N/OC(=O)c1cc(Cl)ccc1OC 5012666 UMBCYOWHFBGPSS-UHFFFAOYSA-N 348.786 3.029 30 50 EGEA C=CCn1c(CN(C)C/C(C)=C/C)nnc1SC[C@H]1CCCO1 14999676 ZJSOBHLUMIKGQT-SXSSENBOSA-N 336.505 3.133 30 50 EGEA CN1CC[C@@H](C/N=C(/O)c2cccc(F)c2F)[C@@H]1c1cccnc1 328631676 RGWATFWJOKODSN-GUYCJALGSA-N 331.366 3.357 30 50 EGEA C[C@@H]1c2ccc(C#N)n2CCN1C(=O)Cc1cncc2ccccc12 2325791409 WETSHMSFGMBVSI-CQSZACIVSA-N 330.391 3.054 30 50 EGEA CN1C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O 439517 HIHOQKIDZXKGGT-CYBMUJFWSA-N 328.368 3.184 30 50 EGEA C=CCOc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 4869114 PWRWKUPYAYTNME-UHFFFAOYSA-N 328.324 3.421 30 50 EGEA N#CC1(c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@@H]3O)cc2)CC1 225618683 YARWZKPHFHRKLL-OTWHNJEPSA-N 338.451 3.397 30 50 EGEA COc1cc(C#N)c(NC(=S)NCc2ccc(F)cc2)cc1OC 1394920 MJRLQRUMTXBTAP-UHFFFAOYSA-N 345.399 3.201 30 50 EGEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccco1)n1ncnc1N2 8968904 IGBCCXRSSNBCGZ-SCLBCKFNSA-N 332.363 3.287 30 50 EGEA COC(=O)c1ccc(/C=C/c2ccnc(C#N)n2)c(Br)c1 252485196 GOZKMFGBYYJLLI-SNAWJCMRSA-N 344.168 3.068 30 50 EGEA COC(=O)[C@@H]1CC12CCN(/C(O)=N/Cc1ccc(C3CC3)cc1)CC2 328595571 YLOCPAHMCXRLNT-KRWDZBQOSA-N 342.439 3.253 30 50 EGEA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3cccc(C#N)c3)C2)c1 77542262 VXRXYCKFHGXAGE-MRXNPFEDSA-N 336.391 3.205 30 50 EGEA N#CC1(C(=O)N2CCC(Cc3cc(F)ccc3F)CC2)CCOCC1 456821243 JNHBNKKUBSDGQA-UHFFFAOYSA-N 348.393 3.066 30 50 EGEA C[C@@]1(NC(=S)Nc2ccc3ccccc3c2)CC[S@@+](=O)(O)C1 334158988 RRAAUQYJISORGZ-MRXNPFEDSA-P 335.474 3.261 30 50 EGEA CCN(Cc1ccc(C#CC(C)(C)O)cc1)Cc1nc(C(C)C)no1 97468048 HCDRVJSIMJBLLO-UHFFFAOYSA-N 341.455 3.338 30 50 EGEA Oc1ccc(C=Nn2c(S)nnc2-c2ccc(Cl)cc2)c(O)c1 239174168 PKIQGRJZAFBQMT-UHFFFAOYSA-N 346.799 3.181 30 50 EGEA C=CCCC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@H]1C 1875359826 QSIMLAGERVRPBA-SNVBAGLBSA-N 337.217 3.257 30 50 EGEA C=CCNC(=O)c1ccccc1NC(=O)COc1ccc(CC)cc1 6702633 KIWMCHBTHRPRRS-UHFFFAOYSA-N 338.407 3.182 30 50 EGEA C=CCOc1ccccc1[C@H]1CC(=O)NCc2nc3cc(C)ccn3c21 65371798 BWHVQOYEQRMYPF-MRXNPFEDSA-N 347.418 3.359 30 50 EGEA N#Cc1ccccc1CN1CCOC[C@H]1c1nc(-c2ccccc2)no1 282142855 SAIDGBAPVUNRQM-SFHVURJKSA-N 346.390 3.182 30 50 EGEA C/C(O)=N/[C@H](c1nc(CCc2ccccc2)no1)C1CCOCC1 328636658 VQFABFKPCZUCKF-KRWDZBQOSA-N 329.400 3.299 30 50 EGEA CSc1ncc(-c2c(C)c(-c3ccc(O)cc3)nc(N)c2C#N)cn1 71738748 XAAFTACTPHRXIY-UHFFFAOYSA-N 349.419 3.395 30 50 EGEA Cc1ncsc1CN(C)C[C@@H]1CCN(c2ccc(C#N)cc2)C1 190444553 FECSERQYOLZCGN-INIZCTEOSA-N 326.469 3.282 30 50 EGEA O=C1C=C2CN([C@@H](C(=O)C3CC3)c3ccccc3F)CC[C@@H]2S1 13901974 MJAMUSZUMAHFLH-DOTOQJQBSA-N 331.412 3.120 30 50 EGEA in-vitro C=CCc1ccc(OCCn2cnc3ccccc3c2=O)c(OC)c1 614277 PJDNRECWFKEKQV-UHFFFAOYSA-N 336.391 3.213 30 50 EGEA Cc1nc(SCC(=O)Nc2ccccc2C#N)nc2c1CCCC2 2880643 CVHXUSGNKGSORC-UHFFFAOYSA-N 338.436 3.266 30 50 EGEA C=CCOc1c(Cl)cc(CN[C@H](C)Cn2cccn2)cc1OC 55225942 ZTVQHLVKXVYXBQ-CYBMUJFWSA-N 335.835 3.288 30 50 EGEA COc1cc(/C=N/c2n[nH]c(=S)n2Cc2ccccc2)ccc1O 2392028 PQLGMQSACXVHDE-VCHYOVAHSA-N 340.408 3.454 30 50 EGEA COc1cc(/C=N/n2cn[nH]c2=S)ccc1OCc1ccccc1 5543933 LHDGDTRITSHBIN-VXLYETTFSA-N 340.408 3.410 30 50 EGEA COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O 1542890 JGPMMRGNQUBGND-UHFFFAOYSA-N 338.444 3.462 30 50 EGEA biogenic,world N#Cc1ccc(C2CN(Cc3ccn(Cc4ccccc4)n3)C2)cc1 2325858430 MQWFFQDCQXDOPF-UHFFFAOYSA-N 328.419 3.402 30 50 EGEA N#Cc1ccccc1NC(=O)c1ccc(I)cc1 515299 FXNVZEZATFXHTB-UHFFFAOYSA-N 348.143 3.415 30 50 EGEA Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](C)CC1=O)N2 4488254 MYIJKDQIDFCTBY-BCTVWOGZSA-N 330.338 3.133 30 50 EGEA CC1(C)OB(c2ccc([C@@H](N)c3cccc(F)c3)cc2)OC1(C)C 170007618 NSEWNXGEISRRJV-QGZVFWFLSA-N 327.208 3.173 30 50 EGEA CCC(CC)n1ncc(/C(O)=N/Cc2nc3ccncc3n2C)c1C 328593511 CQVVMOHQGBENIG-UHFFFAOYSA-N 340.431 3.339 30 50 EGEA Cc1c(CN2CCC([C@@H](O)Cc3ccccc3)CC2)cc(C#N)n1C 72438509 PTQGTASBKDMILN-NRFANRHFSA-N 337.467 3.021 30 50 EGEA Cc1nc([C@@H]2CCCN(c3ncccc3C#N)C2)cc(N2CCCC2)n1 72433170 OTPWABBVZTVUFJ-QGZVFWFLSA-N 348.454 3.036 30 50 EGEA COCCOc1ccc(CC(=O)N[C@H](CC#N)c2ccccc2)cc1 408514733 ZZGJMAZIKNTNKT-LJQANCHMSA-N 338.407 3.025 30 50 EGEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(c2nc(C)ns2)C1 2100534639 RDKNPDFQAXXRBJ-CQSZACIVSA-N 344.440 3.022 30 50 EGEA Cc1c(NC(=O)Nc2ccc(C#N)cc2)n(C)c(=O)n1-c1ccccc1 4856889 DPDAZJPKLJWEKM-UHFFFAOYSA-N 347.378 3.000 30 50 EGEA C[C@]1(N/C(O)=N/CCc2nc3c(s2)CCCC3)CCO[C@@H]1C1CC1 328587292 WVWVOJQIQBFKAG-AEFFLSMTSA-N 349.500 3.026 30 50 EGEA C=CCC[C@H](CN(C)Cc1ccoc1)Oc1ccnc(OC)c1C#N 72434649 QGESXQCHQYIYBU-MRXNPFEDSA-N 341.411 3.400 30 50 EGEA N#Cc1cccnc1N1CCC[C@@](CO)(CCOc2ccccc2)C1 67983340 KGWVLIWINQSIKO-HXUWFJFHSA-N 337.423 3.001 30 50 EGEA C=C(C)C[C@@H](C)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 253431291 OTGQLFMUXZVGHY-QGZVFWFLSA-N 325.456 3.263 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)N=N1 952881059 NPUBOYRSTLWAKA-OAHLLOKOSA-N 344.846 3.391 30 50 EGEA CSc1ccc(Cl)c(C(=O)N[C@@H](C#N)C(=O)OC(C)(C)C)c1 1775992933 WXCJYABZSUESLO-LBPRGKRZSA-N 340.832 3.026 30 50 EGEA C=CC[C@@H](CC)NC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 281268805 HHZRSDBHRWOLTK-GFCCVEGCSA-N 343.349 3.455 30 50 EGEA C/C(=N\N=c1\[nH]c(-c2ccccc2)cs1)c1ccc(O)cc1O 7350198 NRHQNDZYHNFQHY-YBFXNURJSA-N 325.393 3.479 30 50 EGEA C=CC[C@@H](CC)NC(=O)NCc1ccc(-n2nc(C)cc2C)nc1 225568044 ULPZCFSTFFRIJG-MRXNPFEDSA-N 327.432 3.038 30 50 EGEA C#CCN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2C)C1=O 14011406 IIJFZNOFJLEARG-VBKFSLOCSA-N 326.421 3.265 30 50 EGEA C(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1ccccn1 19773137 MQWZNOCFOKHHOK-XQNSMLJCSA-N 330.435 3.387 30 50 EGEA Oc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19773220 GQPOUWGKQMNNSZ-DEDYPNTBSA-N 329.831 3.197 30 50 EGEA CC1=C(/C(O)=N/CCNS(=O)(=O)c2ccc(Cl)s2)CCC1 330031839 DVLHZISVJSDOLH-UHFFFAOYSA-N 348.877 3.137 30 50 EGEA CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cnc[nH]1 390477 WYEVEHRXTPNOFA-UHFFFAOYSA-N 339.439 3.383 30 50 EGEA Cc1cc(N2CCC[C@]3(C2)C(=O)N(C)c2ccccc23)nc(C)c1C#N 2356145005 WSADYMBULVTSTF-OAQYLSRUSA-N 346.434 3.085 30 50 EGEA O=C1N[C@H](c2ccc(F)cc2)C(C(=O)c2ccc(Cl)cc2)=C1O 6493892 HPIRLVOOCKCIDH-CQSZACIVSA-N 331.730 3.345 30 50 EGEA CC(=O)N(c1nc(/C=C/C(=O)c2cncc(F)c2)cs1)C1CC1 150952156 HRLRPCQMQHLKJZ-GORDUTHDSA-N 331.372 3.089 30 50 EGEA CC(C)Nc1ncc(CN2CCC(C#N)(c3ccccc3)CC2)cn1 215737670 LEBJOXMMPHGTOZ-UHFFFAOYSA-N 335.455 3.354 30 50 EGEA Cc1ccc(-c2nnc(S)n2N=Cc2ccccc2[N+](=O)[O-])cc1 239073251 GTXLFGIBVIAIFZ-UHFFFAOYSA-N 339.380 3.333 30 50 EGEA COc1cc(O)c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(OC)c1 4252593 RNJWVWDASBIOQQ-VOTSOKGWSA-N 329.308 3.214 30 50 EGEA N#Cc1c(F)ccc(NS(=O)(=O)c2cc3ccccc3s2)c1N 2325840580 HGFVASDSZZMBGB-UHFFFAOYSA-N 347.396 3.295 30 50 EGEA CN1CC[C@@H](CNc2ncc(C#N)cc2Cl)[C@@H]1c1cccnc1 328630079 PMXHTYYTTKAKOB-HOCLYGCPSA-N 327.819 3.107 30 50 EGEA C=CCCOCCNC(=O)N[C@H](C)c1ccc(-c2cncnc2)cc1 127438995 UMWRIXOSLRCKAS-OAHLLOKOSA-N 340.427 3.097 30 50 EGEA CC1=C[C@H](c2ccccc2)N2N=C(/N=C(\O)c3ccccc3)NC2=N1 309379 KFEBYWRIZAWKMJ-MRXNPFEDSA-N 331.379 3.182 30 50 EGEA C#Cc1cccc(C(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)c1 12298400 STKSVRHJLXTLBB-UHFFFAOYSA-N 345.377 3.396 30 50 EGEA C=C(C)COc1c(CN[C@@H](CO)c2ccccc2)cccc1OC 55072280 JOXNRHDRGMELRM-SFHVURJKSA-N 327.424 3.473 30 50 EGEA N#Cc1ccc([C@H]2c3nc[nH]c3CCN2Cc2ccc(Cl)nc2)cc1 72418010 GWUXJHGMMYLOHL-IBGZPJMESA-N 349.825 3.477 30 50 EGEA NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(F)cc1 249440 AOUAADFCYOJINU-UHFFFAOYSA-N 325.368 3.152 30 50 EGEA CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)ccc1O 4488898 DDQTZQZGODJTJL-GFCCVEGCSA-N 329.396 3.038 30 50 EGEA O=C(C[n+]1ccc(C2C(=O)c3ccccc3C2=O)cc1)c1ccccc1 100812338 QRCIUKLVLSKROA-UHFFFAOYSA-N 342.374 3.020 30 50 EGEA CC(C)(C#N)C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 139694062 WDRUYTWJRWTQSK-UHFFFAOYSA-N 336.317 3.057 30 50 EGEA CC1(C)OB(c2ccc(Oc3ccc(N)cc3F)cc2)OC1(C)C 170006557 WYSIPRIXJXXQLO-UHFFFAOYSA-N 329.180 3.499 30 50 EGEA OC(=Nc1ccc(F)c(C2CC2)c1)N[C@H]1CCO[C@]2(CCOC2)C1 328588697 VLQQLUWMYXIZLY-KBXCAEBGSA-N 334.391 3.176 30 50 EGEA CC#CC(=O)Nc1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C2 1875365519 ORLLLXMJGXJLPI-INIZCTEOSA-N 328.412 3.030 30 50 EGEA COc1cc(/C=N/n2cnnc2)ccc1OCc1ccccc1Cl 459863 WIIZUTHGLJNAFU-ZVBGSRNCSA-N 342.786 3.401 30 50 EGEA COc1ccc(SC[C@H](O)COc2ccc(CC#N)cc2)cc1 408512826 AQUYVBCBXNLZOU-OAHLLOKOSA-N 329.421 3.293 30 50 EGEA Cc1noc(C(C)(C)/N=C(/O)Nc2ccnn2[C@H](C)CC(C)C)n1 330581963 QWNOPPXVSLITHH-LLVKDONJSA-N 334.424 3.443 30 50 EGEA C=CCNC(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1 11765989 PVZCMCBIUHSJCV-FQEVSTJZSA-N 347.503 3.167 30 50 EGEA Cc1noc([C@H]2CCN(CC(O)=Nc3sc(C)c(C)c3C)C2)n1 329044721 PLSKLWLNYFWNEZ-ZDUSSCGKSA-N 334.445 3.442 30 50 EGEA CC(C)n1ncc2c(C(=O)N3CCCC[C@H]3C#N)cc(C3CC3)nc21 1875374563 WRUMTAOGTUQHLK-AWEZNQCLSA-N 337.427 3.408 30 50 EGEA Cc1c([C@@H](C)NCC(C)(C)N(C)C)cnn1-c1ccc(C#N)cc1 170070012 LYGJICDWJOONHM-CQSZACIVSA-N 325.460 3.043 30 50 EGEA CC(C)(C#N)c1ccccc1CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O 193739274 GZYJXSGAMSHCPU-LJQANCHMSA-N 327.428 3.344 30 50 EGEA COc1ccc(C(=O)/C=C/Nc2ccc([N+](=O)[O-])cc2)cc1OC 15659867 UTSFPROGGSMBEB-MDZDMXLPSA-N 328.324 3.421 30 50 EGEA COc1ccc(C2=NOC(=O)/C2=N\Nc2ccc(Cl)cc2)cc1 16310303 FQXJWBITHQYAGI-CYVLTUHYSA-N 329.743 3.078 30 50 EGEA C[C@H]1CSc2ccc(Cl)cc2N(C(=O)c2cnn(C)c2C#N)C1 408350586 SNHIYKZEVUEURU-SNVBAGLBSA-N 346.843 3.334 30 50 EGEA C#CCCC1(CCC(=O)N[C@H]2CN(C3CC3)Cc3ccccc32)N=N1 2325899492 HCHOTDAXGIGPHG-SFHVURJKSA-N 336.439 3.178 30 50 EGEA NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccc(O)cc1 9423613 KVYQKPMUKZMMQJ-UHFFFAOYSA-N 349.415 3.232 30 50 EGEA C=CCC(O)(CC=C)[C@@H](C)Nc1nncc(-c2ccccc2F)n1 11878135 MTQDEHNRNUUHOI-CYBMUJFWSA-N 328.391 3.361 30 50 EGEA C[C@H](/C(O)=N/[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1)n1cccc1 328605654 ONQAYGLNRAKLCZ-QLFBSQMISA-N 345.447 3.008 30 50 EGEA C#CCCC1(CCNC(=O)c2cc(OCc3ccccc3)ccn2)N=N1 2325890938 FDGZGJMUBCAUOX-UHFFFAOYSA-N 348.406 3.356 30 50 EGEA C#CCCC1(CCC(=O)NC[C@H]2CCN(C)[C@H]2c2ccccc2)N=N1 2325899912 DLBPDZMTLVKOIY-MJGOQNOKSA-N 338.455 3.151 30 50 EGEA C=CCOc1ccc(C(=O)N[C@H](C)Cc2ccncc2)cc1OCC 55359108 ZNAKQWBRYYFZSI-OAHLLOKOSA-N 340.423 3.406 30 50 EGEA CCc1nc(C)sc1CNC(=O)c1ccc(C#CC(C)(C)O)cc1 65371083 GBVSAVOYKJNDRP-UHFFFAOYSA-N 342.464 3.066 30 50 EGEA Cc1cc(/C(O)=N/[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)cc(O)n1 330712239 QOOSGAZAQQEKFS-ZDUSSCGKSA-N 342.321 3.054 30 50 EGEA Cc1noc(C/N=C(/O)[C@@]23CCC[C@@H]2CN(Cc2ccccc2)C3)n1 328604685 KWHOSBRZAMSSMJ-VQIMIIECSA-N 340.427 3.137 30 50 EGEA C=CCC(=O)N(CC1CCN(C2CCCC2)CC1)C[C@@H]1CCCO1 11874704 GCTTYFPVLHBGMN-IBGZPJMESA-N 334.504 3.225 30 50 EGEA CCCn1cc(-c2cc(-c3cc(CC)n[nH]3)c(C#N)c(N)n2)c(C)n1 71498120 YIYJZLNMBVPQTF-UHFFFAOYSA-N 335.415 3.070 30 50 EGEA C=CCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 12343773 DLRCWYOWXQOETM-GHRIWEEISA-N 340.810 3.413 30 50 EGEA Cc1ccc(C[C@H]2S/C(=N/N=C/c3cccs3)NC2=O)cc1 13552781 PCLIZMOSWCLVTC-NGWPFTMJSA-N 329.450 3.221 30 50 EGEA C=CCOc1ccc(/C=C2/C(=O)N(CC)C(=S)N2C)cc1OCC 2819397 GAFKSHLCYNAXMI-KAMYIIQDSA-N 346.452 3.070 30 50 EGEA C=CCc1c(C)nc(Nc2nc(C)c3cc(C)cc(C)c3n2)[nH]c1=O 9936632 GMKLSXRTUUAEOD-UHFFFAOYSA-N 335.411 3.419 30 50 EGEA COc1cc(CN2CCCC2)ccc1Oc1ccnc(OC)c1C#N 67872473 GLQAJXFJCIMUCX-UHFFFAOYSA-N 339.395 3.359 30 50 EGEA CCn1ccc(C(=O)/C=C/c2ccc(OC)c(Cn3cccn3)c2)n1 6637285 ZJFPQTWVOXYKGP-FNORWQNLSA-N 336.395 3.053 30 50 EGEA CC(=O)N(Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1)C1CC1 124918199 ASRFMQTVRKJFHX-UHFFFAOYSA-N 325.412 3.220 30 50 EGEA CCc1cc(C#N)ccc1NC(=O)NCCc1nc(C)c2c(n1)CCC2 95522693 IPSGSFJTOPAQKU-UHFFFAOYSA-N 349.438 3.072 30 50 EGEA C=CCC1(OC)CCN(C(=O)Nc2ccc(C(=O)OC)cc2C)CC1 95521422 IAKSUIZEPMWOTA-UHFFFAOYSA-N 346.427 3.371 30 50 EGEA C#CCCC1(CCC(=O)Nc2ccc(N3CCOCC3)cc2C)N=N1 952880212 DCDBGVZKAHQTPD-UHFFFAOYSA-N 340.427 3.126 30 50 EGEA N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccncc2O)o1 109889705 ZLMTTZSSCJXQCN-UHFFFAOYSA-N 335.319 3.083 30 50 EGEA CC1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 5524018 KVTRMBWBQOOITL-ZDUSSCGKSA-N 331.485 3.415 30 50 EGEA C=CCN1CCN(C(=O)[C@@H](C)Oc2cc(Cl)ccc2Cl)CC1 12380418 FELIRJRJTQKFGQ-GFCCVEGCSA-N 343.254 3.091 30 50 EGEA Cc1c(C#N)c(N2CCC3(CCC(=O)N(C)C3)CC2)nc2ccccc12 1857677009 VGZBQFQIZVEEIT-UHFFFAOYSA-N 348.450 3.254 30 50 EGEA COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)cc1 70765 JZXNDABXKWJPGE-GOSISDBHSA-N 337.375 3.493 30 50 EGEA C[C@@H](C(=O)N1CCCC[C@H]1C1CCOCC1)c1ccc(C#N)cc1 2325810510 OQMRBGUUGJFHAI-BEFAXECRSA-N 326.440 3.469 30 50 EGEA C#CCCC1(CCC(=O)Nc2nc(C(=O)OC)c(C3CC3)s2)N=N1 2325892340 JUSBYKTXZNLRLR-UHFFFAOYSA-N 346.412 3.101 30 50 EGEA Cc1ccc(C(=O)C[n+]2cccc(NC(=O)c3ccccc3)c2)cc1 1880383 UIEUNRGPTZFWLG-UHFFFAOYSA-O 331.395 3.418 30 50 EGEA C=C(C)COc1cccc(C(=O)N(Cc2nccn2C)C2CC2)c1 55392983 JDILMBSWPOYPFG-UHFFFAOYSA-N 325.412 3.180 30 50 EGEA C=CCn1cc(CNC[C@@H](c2ccccc2Cl)N(C)C)c(C)n1 55211326 ADIQQBBKJMDMTH-SFHVURJKSA-N 332.879 3.423 30 50 EGEA N#Cc1cccnc1NCc1cccnc1-n1cnc2ccccc21 67983236 OBCSBSPXDLKRMY-UHFFFAOYSA-N 326.363 3.299 30 50 EGEA CCC[C@@H](C)c1cc(NS(=O)(=O)c2cc(C#N)ccc2C)[nH]n1 159880863 KGYVKFZVMOFHKZ-LLVKDONJSA-N 332.429 3.294 30 50 EGEA N#Cc1ccc(C(=O)N2CCC(c3nccn3CC3CC3)CC2)cc1 82157609 ZLNWRKBGVIHLFA-UHFFFAOYSA-N 334.423 3.185 30 50 EGEA C#CCCCC(=O)Nc1n[nH]c(CC)c1-c1ccc2c(c1)OCO2 408514706 OEMSHIILDVVWRV-UHFFFAOYSA-N 325.368 3.110 30 50 EGEA N#Cc1ccc(Br)c(Cn2cnc(C3CCC3)cc2=O)c1 191689595 QDUWKIKCYJEICN-UHFFFAOYSA-N 344.212 3.193 30 50 EGEA COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2cccc(F)c2)cc1 5686970 OKKWKPFJLYHHJT-INIZCTEOSA-N 341.338 3.042 30 50 EGEA C=CCc1c(C)nc(SCC(=O)Nc2ccc(CC)cc2)[nH]c1=O 18254409 BBZUFUNPXPXNHV-UHFFFAOYSA-N 343.452 3.100 30 50 EGEA Cc1c(C#N)c(N2CCC3(CCC(=O)N3C)CC2)nc2ccccc12 1857670796 ZPTBWAJOJHQVHT-UHFFFAOYSA-N 334.423 3.006 30 50 EGEA O=C1N[C@@H]2CCCC[C@H]2C[C@H]1O/N=C(/c1ccccc1)C(F)(F)F 2325751441 GTUSEUWYVMZDST-AEOMSOFZSA-N 340.345 3.417 30 50 EGEA C=CCc1cc([C@H]2CC(=O)Nc3n[nH]cc32)cc(OCC)c1OC 65432529 LWGTXRYBWUKMLO-CYBMUJFWSA-N 327.384 3.020 30 50 EGEA C[C@]1(/N=C(/O)C2CCN(c3ccc(C#N)cc3F)CC2)CCCOC1 329160413 FEYPEYHDHLDEJC-IBGZPJMESA-N 345.418 3.439 30 50 EGEA CC(C)c1cc(-c2ccc(O[C@@H](C)C(=O)O)cc2)c(C#N)c(N)n1 71388763 ICGVVBYSTBPIPS-NSHDSACASA-N 325.368 3.178 30 50 EGEA N#Cc1cccc(-c2csc(NC(=O)[C@@H]3CSCCS3)n2)c1 160585636 XBNQMTMBVRIEGV-ZDUSSCGKSA-N 347.490 3.469 30 50 EGEA C[C@H](NC(=O)CC1CCCCC1)C(=O)N(CC#N)c1ccccc1 193522493 SETNSLZPULIDQG-HNNXBMFYSA-N 327.428 3.018 30 50 EGEA C=C(C)CN(C)C(=O)c1coc(COc2ccc(C)cc2OC)n1 11838614 QRWYDOXEVLQPSE-UHFFFAOYSA-N 330.384 3.219 30 50 EGEA N#Cc1c(I)ccc(Br)c1F 15443824 VCRQPVFNRGOPIK-UHFFFAOYSA-N 325.906 3.064 30 50 EGEA COc1ccc(CN2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cc1C#N 339784466 HDJZIGBPPJRHNG-QZTJIDSGSA-N 326.371 3.014 30 50 EGEA C=CCOC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(OC)cc1 2898938 ZCGUIWXDWDGUKR-NBVRZTHBSA-N 337.375 3.195 30 50 EGEA C/C(O)=N/[C@H](c1nc(COc2ccccc2)no1)C1CCOCC1 328640996 XTCBFZZDHLIZDH-INIZCTEOSA-N 331.372 3.093 30 50 EGEA Cc1nnc(C[C@@H]2CC[C@H](Nc3nc4c(cc3C#N)CCCC4)C2)o1 1775960299 DMMHAYXMYNGCKM-CJNGLKHVSA-N 337.427 3.347 30 50 EGEA CO[C@@H](c1ccc(F)cc1)[C@H](C)Nc1ncc([N+](=O)[O-])cc1C#N 271376603 QKFKTRWFCPHLNB-ZUZCIYMTSA-N 330.319 3.189 30 50 EGEA Cc1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1F 19804694 SKKIXPLMILMLFW-UHFFFAOYSA-N 341.371 3.032 30 50 EGEA Cc1cc(Cl)c2ncc(C#N)c(N[C@@H]3CCc4ncnn4C3)c2c1 225777902 TZTLSKLHGKFXTB-GFCCVEGCSA-N 338.802 3.087 30 50 EGEA Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(C[C@H](C)CC1=O)N2 4488252 MYIJKDQIDFCTBY-PWJLMRLQSA-N 330.338 3.133 30 50 EGEA FC(F)(F)c1ccc(C#CCNc2ccc(-n3cnnn3)cc2)cc1 443543685 UCWDHXWDGQHIGN-UHFFFAOYSA-N 343.312 3.145 30 50 EGEA Cc1cc(NC(=O)c2cc(F)cc(C#N)c2)ccc1N1CCCC1=O 826768265 XRQIGVUIHWSCKJ-UHFFFAOYSA-N 337.354 3.385 30 50 EGEA Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c(C)n1 162372474 ALIXNYPMBYHINL-HNNXBMFYSA-N 344.212 3.456 30 50 EGEA COc1ccc(Cl)cc1/C(O)=N/c1cccc(-c2nnn[nH]2)c1 38747912 PJUKTRJDYMCOBX-UHFFFAOYSA-N 329.747 3.165 30 50 EGEA N#Cc1ccccc1CN1CCOC[C@@H]1c1nnc(-c2ccccc2)o1 367541264 SQDLPKLGIXJLOJ-GOSISDBHSA-N 346.390 3.182 30 50 EGEA COc1cccc([C@@H]2C[C@@H](O)CN2Cc2ccc(C#N)c(F)c2)c1 337399329 KDINWFAZCIEAOM-APWZRJJASA-N 326.371 3.014 30 50 EGEA C/C(=N\NC(=S)NCC(F)(F)F)c1cccc(C(F)(F)F)c1 1875256813 DHHRCPFZFXOTOS-IFRROFPPSA-N 343.296 3.456 30 50 EGEA COc1cc(NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 200152410 XZDFUAVQCGKNHS-UHFFFAOYSA-N 349.236 3.341 30 50 EGEA O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1O/N=C(/c1ccccc1)C(F)(F)F 2325751443 GTUSEUWYVMZDST-KWFUALHASA-N 340.345 3.417 30 50 EGEA C=CCn1cc(CN(CCN(C)C)Cc2ccc(C)s2)c(C)n1 55414025 JELAKALHLCBGHR-UHFFFAOYSA-N 332.517 3.311 30 50 EGEA Cc1nc(CN2CCC(CNc3snc(C)c3C#N)CC2)oc1C 328586336 BJLQABXRIFNARS-UHFFFAOYSA-N 345.472 3.252 30 50 EGEA N#Cc1ccc(CN[C@@H](CO)c2cccc(Br)c2)c(F)c1 178799430 KPXQUPMLVCCYTG-INIZCTEOSA-N 349.203 3.283 30 50 EGEA CCCN(CC#N)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170623019 UBJHJRZKEMPRDW-UHFFFAOYSA-N 338.289 3.131 30 50 EGEA Cc1cc(C(=O)OCCNc2ncccc2C#N)c2cccnc2c1C 2325853846 DGKDDEJQTNVVEE-UHFFFAOYSA-N 346.390 3.387 30 50 EGEA C=CCN1C(=O)[C@]2(NCCc3c2[nH]c2ccc(F)cc32)c2ccccc21 20064210 PCFMPFDVGZSEFI-NRFANRHFSA-N 347.393 3.229 30 50 EGEA biogenic OC(=Nc1cccc(O)c1F)[C@@H](c1ccccc1)N1CCC(O)CC1 328587203 HIVBJFGQGVJKTI-GOSISDBHSA-N 344.386 3.317 30 50 EGEA CCn1cc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)cc1C#N 72480927 STNOEUVKNLHHKH-NRFANRHFSA-N 348.494 3.055 30 50 EGEA N#Cc1ccc(C(F)(F)F)nc1Nc1cnn(C[C@@H]2CCCO2)c1 301259345 FAROAQXURMVMIA-LBPRGKRZSA-N 337.305 3.091 30 50 EGEA C[C@H](O)CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 191850929 KZUCTKGGHDOVFG-LRDDRELGSA-N 343.814 3.498 30 50 EGEA Cc1c(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cnn1C1CCCC1 194630975 HODNAVKAKGVBBH-SFHVURJKSA-N 349.438 3.396 30 50 EGEA C=CCN1CCN(C(=O)[C@H](C)Oc2cc(Cl)ccc2Cl)CC1 12380417 FELIRJRJTQKFGQ-LBPRGKRZSA-N 343.254 3.091 30 50 EGEA OCC[C@@H](/N=C(/O)c1cc(F)c(F)cc1Cl)C1CCOCC1 330915583 ZCTZVUUTMMXKKM-CQSZACIVSA-N 333.762 3.100 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H](Cc2ccccn2)c2ccccn2)N=N1 2325892807 GKLQYUVRUQSFSP-SFHVURJKSA-N 347.422 3.232 30 50 EGEA C#CCCC1(CCC(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C(=O)OC)N=N1 2325892875 NHFHEKWSERKXAH-CABCVRRESA-N 347.459 3.168 30 50 EGEA C#CCCC1(CCC(=O)N2CC[C@@H]3C[C@H](CC(=O)O)CC[C@@H]3C2)N=N1 2325901014 QLFIPQKMQCJJIA-BZUAXINKSA-N 345.443 3.082 30 50 EGEA C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21 299854 JJFITTKCFGEHJI-LJQANCHMSA-N 341.794 3.333 30 50 EGEA CC(C)(C)NC(=O)Cn1cc(C#N)c2cc(Br)ccc21 613301 BAOCIJFZZVYABX-UHFFFAOYSA-N 334.217 3.190 30 50 EGEA COCc1cc(C)nc(SCC(=O)N(C)c2ccccc2)c1C#N 10231386 TWTXUNVGYAHNSG-UHFFFAOYSA-N 341.436 3.163 30 50 EGEA C=CCN(c1ccccc1C(=O)O)S(=O)(=O)/C=C/c1ccccc1 5030747 FVHRHJBBJASQDU-WYMLVPIESA-N 343.404 3.378 30 50 EGEA Cc1c(CN2CCCN(Cc3ccccc3F)CC2)cc(C#N)n1C 72144797 ISVJAVUJSLTQOJ-UHFFFAOYSA-N 340.446 3.052 30 50 EGEA N#Cc1cccc(-c2csc(NC(=O)[C@H]3CSCCS3)n2)c1 160585767 XBNQMTMBVRIEGV-CYBMUJFWSA-N 347.490 3.469 30 50 EGEA Cc1oc(C#N)cc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 280915430 DGQHXKXFKFAHRO-UHFFFAOYSA-N 344.798 3.237 30 50 EGEA N#CC1(C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)CCOCC1 109140913 IUOWJPXQLKBZRW-UHFFFAOYSA-N 336.351 3.082 30 50 EGEA Cc1ccc(/C(N)=N/OC(=O)COc2cccc3ccccc23)cc1 4951864 IHMVYSXSZFABHV-UHFFFAOYSA-N 334.375 3.391 30 50 EGEA N#Cc1c(N)nc2c(c1-c1c(F)ccc(F)c1Cl)[C@H]1CC[C@@H](C2)N1 71746717 NDERZQJQDMTTHS-WRWORJQWSA-N 346.768 3.483 30 50 EGEA N#CCCCS(=O)(=O)Cc1ccc(Br)c(Cl)c1 190952600 JPMOUDHARCGFSA-UHFFFAOYSA-N 336.638 3.321 30 50 EGEA CC#Cc1ccc(COC(=O)[C@@H]2CCCN2c2nccs2)cc1 225689570 FKIUHTCZNYBAEN-INIZCTEOSA-N 326.421 3.227 30 50 EGEA COC(=O)/C(=C/NC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl 100112810 YCDBNUJZSAFBIY-RMKNXTFCSA-N 332.158 3.124 30 50 EGEA N#Cc1ccccc1/C=C/C(=O)N1C[C@@H](C#N)[C@H](c2ccccc2)C1 366482153 MRZHZJATTFOQEC-WNGAPAKLSA-N 327.387 3.337 30 50 EGEA N#Cc1ccccc1N1CCN(Cc2ccccc2Cl)CC1=O 82120548 VLYVVHQMRVYBQC-UHFFFAOYSA-N 325.799 3.060 30 50 EGEA CN(Cc1ccsc1)C(=O)CO/N=C1/CCOc2c(F)cccc21 1875263998 NRNMSMIPKIVBFA-CYVLTUHYSA-N 348.399 3.049 30 50 EGEA COc1cccc(C(=O)Nc2sc3c(c2C#N)CCC3)c1OC 5169383 BHPWVSMNZDWAFX-UHFFFAOYSA-N 328.393 3.378 30 50 EGEA C=CCNCC[C@H]1CCC(=O)N1Cc1cccc(C(F)(F)F)c1 12218365 IIIYMOUCCITOAV-OAHLLOKOSA-N 326.362 3.362 30 50 EGEA CCNC(=O)N(C)c1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1 225463428 KNCFZELPNIGVBC-UHFFFAOYSA-N 340.358 3.115 30 50 EGEA C=CCNc1ccccc1C(=O)NCc1cc(-c2cccnc2)no1 55309900 LFUVDJKGDBGBMS-UHFFFAOYSA-N 334.379 3.265 30 50 EGEA Nc1cc2c(cc1N=C(O)[C@@H]1C[C@]13CCOc1ccccc13)OCO2 328596224 XQPMMDISTGFTFN-BUXKBTBVSA-N 338.363 3.326 30 50 EGEA N#CC1(CCCN2CCC[C@]2(CO)Cc2ccccc2)CCOCC1 374072490 QIGYDJSPSSAAGN-OAQYLSRUSA-N 342.483 3.157 30 50 EGEA N#CC1(C#N)[C@H](Cc2ccccc2)O[C@@]23CCCC[C@H]2[C@@]1(C#N)C(=N)O3 245325598 GFOHRJRQVKEVJH-CPLUKWAASA-N 346.390 3.065 30 50 EGEA CC(C)(C)OC(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 169747785 GVNKCVZBPCUBLS-UHFFFAOYSA-N 345.248 3.237 30 50 EGEA in-vitro C=CCC(O)(CC=C)[C@@H](C)Nc1nncc(-c2ccc(F)cc2)n1 12373156 NNJPIHRIXXNDPB-CYBMUJFWSA-N 328.391 3.361 30 50 EGEA C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OC 13881006 OXPQFUMHVLWHPB-UVTDQMKNSA-N 333.409 3.489 30 50 EGEA Cc1nc(N2C[C@H](COc3ccccc3)OC(C)(C)C2)ccc1C#N 330176799 KGNLFRPQKSAYGW-GOSISDBHSA-N 337.423 3.325 30 50 EGEA CC(C)C[C@@]1(CO)CCCN1C(O)=Nc1ccc(OC(F)F)nc1 330423685 FGYVLFSYTODCSI-MRXNPFEDSA-N 343.374 3.102 30 50 EGEA C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 1772820456 ZYKRXWIPMUJNME-CRKVZLJZSA-N 346.423 3.010 30 50 EGEA biogenic COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCCCC2)cc1 3354144 FJMSWNVLRMXQBK-UHFFFAOYSA-N 338.411 3.098 30 50 EGEA C=CCN(Cc1nc(-c2ccccc2)no1)Cc1cccnc1NC 55385140 PNZAQYDWZFCVIV-UHFFFAOYSA-N 335.411 3.362 30 50 EGEA N#Cc1cccc(CNC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c1 119153948 IWAMSPNJHWQQOJ-RBUKOAKNSA-N 335.407 3.278 30 50 EGEA Cc1cc(COCC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)on1 252497089 PYOQURDLNXHDNB-QGZVFWFLSA-N 341.411 3.178 30 50 EGEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)Cc2csc(C)n2)cn1 328628136 NJENCRVYJCOZCZ-GOEBONIOSA-N 334.445 3.087 30 50 EGEA C=CCn1c(SCc2nc(C)sc2C)nnc1C1CCNCC1 426444882 HHWGDTHELVSIIG-UHFFFAOYSA-N 349.529 3.297 30 50 EGEA C=CC[C@]1(CO)CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 91444879 KPKSNHMAURLSRQ-IBGZPJMESA-N 327.403 3.438 30 50 EGEA COc1ccc(/C=N/n2c(C)nc3sc(C)c(C)c3c2=O)cc1 371735 JMZMJBBPWXKWGY-GIJQJNRQSA-N 327.409 3.274 30 50 EGEA C=CCn1c(Sc2cccc(F)c2C#N)nnc1-c1cnccn1 152154151 UHGAPWOYCSAMBW-UHFFFAOYSA-N 338.371 3.083 30 50 EGEA Cc1ccc(N(CCC#N)C(=O)[C@H](C)SC2=NCCS2)cc1 125969726 UYZMSTVCXDYUST-ZDUSSCGKSA-N 333.482 3.466 30 50 EGEA CO/N=C/C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C 367719578 INOXYRMOQRVEKR-GOJQXYCMSA-N 349.862 3.002 30 50 EGEA N/C(=N\OC(=O)c1ccccc1F)c1ccc(Br)cc1 4170049 QQIADKSSCPUIMA-UHFFFAOYSA-N 337.148 3.066 30 50 EGEA C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 127502848 JXYIPYMWUYUJGI-CHWSQXEVSA-N 338.367 3.144 30 50 EGEA N#Cc1cnc(N(Cc2ccccc2)C[C@@H](O)c2cccs2)cn1 127826376 XOMJFDYWXYUXNB-MRXNPFEDSA-N 336.420 3.150 30 50 EGEA Cc1csc([C@H](C)n2ccnc2-c2cc(C#CCO)cs2)n1 71749888 FGZVGYPVACKMLQ-LBPRGKRZSA-N 329.450 3.330 30 50 EGEA CCCn1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc23)cn1 181516630 OIWBUAVEFGWMAQ-QGZVFWFLSA-N 346.390 3.407 30 50 EGEA CC(=O)N1CCC[C@H](c2nnc(/C=C/c3cccc(C#N)c3)o2)[C@@H]1C 886084554 IVGBLFVJWWMFGP-BDFYUECYSA-N 336.395 3.226 30 50 EGEA O=C(NCC#C[C@H]1CCCCO1)c1ncc(C(F)(F)F)cc1Cl 891108824 CKOLWUQGWRGJOQ-LLVKDONJSA-N 346.736 3.056 30 50 EGEA CCOc1cccc(/C=N/N2CCN(c3ccc(C)cc3)CC2)c1O 136658 BCYNWCRXOAVCPB-RCCKNPSSSA-N 339.439 3.255 30 50 EGEA Cc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2ccccc12 348439 JGLXBMHDKKBLJV-CIAFOILYSA-N 329.359 3.446 30 50 EGEA C#Cc1cccc(C(=O)N2CCc3[nH]nc(-c4cccc(F)c4)c3C2)c1 11820311 GWJPBBUIEDIVFS-UHFFFAOYSA-N 345.377 3.396 30 50 EGEA CC(C)(C)n1cc(C(O)=Nc2cc(Br)cnc2O)cn1 330643744 XZWSUCWMEQKQNX-UHFFFAOYSA-N 339.193 3.138 30 50 EGEA C=CCN(CC#Cc1ccccc1)Cc1cc2c(cc1OC)OCO2 55342247 OIUGFVFEUYVLCH-UHFFFAOYSA-N 335.403 3.464 30 50 EGEA C[C@@](NCc1ccc(C#N)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 177387043 WZXUFNDPQUVZHN-KRWDZBQOSA-N 347.340 3.067 30 50 EGEA CCCCCCCCCCCC(=O)N(CC(=O)O)[C@@H]1CCNC1 1875266998 JJAWXKADPBLWNK-MRXNPFEDSA-N 326.481 3.182 30 50 EGEA CN(C)Cc1ccc([C@H]2CCCN2Cc2ccc(C#CCO)cc2)cc1 1506427386 LDZYRRDQXAOGRQ-HSZRJFAPSA-N 348.490 3.429 30 50 EGEA CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC 4488875 DGRVWFINJPXHMW-ZDUSSCGKSA-N 343.423 3.341 30 50 EGEA C=C(C)C[C@@H](C)C(=O)N[C@@H](c1cccc(OC)c1)c1nccn1C 375130109 YLVSJUZCSPMKET-PBHICJAKSA-N 327.428 3.237 30 50 EGEA C#CCCC1(CCC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccccc2)N=N1 2325899910 DLBPDZMTLVKOIY-HKUYNNGSSA-N 338.455 3.151 30 50 EGEA C=CCNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2 2677514 VBKHZCAAWZGJQF-UHFFFAOYSA-N 330.409 3.388 30 50 EGEA C#CCCC1(CCC(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)N=N1 952882306 UEASDGZZQZCSBU-AWEZNQCLSA-N 341.415 3.356 30 50 EGEA C#CCCC1(CCC(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)N=N1 952876198 FLPVCVLSYZJSKF-CVEARBPZSA-N 329.444 3.150 30 50 EGEA Cc1cc2c(nc1C#C[Si](C)(C)C)OCCN2C(=O)C(C)(C)C 169794259 FKZBSJMWTIOEEB-UHFFFAOYSA-N 330.504 3.390 30 50 EGEA in-vitro C/C(=N/N1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 19771424 POPQCWHICGMKLR-SILNSSARSA-N 338.411 3.137 30 50 EGEA Cc1c(N/C=C/C(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C 6552934 NCTDXIOCZWYPKG-ZHACJKMWSA-N 339.420 3.354 30 50 EGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 6138391 ZQWHZMRDHZGSRV-QGZVFWFLSA-N 329.371 3.357 30 50 EGEA CCc1c(C(C)C)nc(N)c(C#N)c1-c1ccc(S(C)(=O)=O)cc1 71738805 YPDVTCZNCJIIKK-UHFFFAOYSA-N 343.452 3.292 30 50 EGEA CCc1ccc(S(=O)(=O)N/N=C\c2c(C)[nH]c3ccccc23)cc1 17071427 MDCZDSQFFIOMKR-UNOMPAQXSA-N 341.436 3.351 30 50 EGEA C#Cc1ccc(COC(=O)Cc2csc(NC(=O)C(C)C)n2)cc1 888099439 KBPVTDOIYATZHI-UHFFFAOYSA-N 342.420 3.005 30 50 EGEA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O/N=C(\N)c1ccncc1 5077598 XQVKGGCMDQTQOI-ZDUSSCGKSA-N 341.411 3.010 30 50 EGEA N#Cc1cc(F)c(C(=O)NC2(c3nccs3)CCCC2)c(F)c1 151893556 ORNXHFQBRUXIHU-UHFFFAOYSA-N 333.363 3.492 30 50 EGEA COc1ccc(C#N)cc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 225521366 ULRPXODJRUSOOH-MAUKXSAKSA-N 344.361 3.153 30 50 EGEA C#Cc1cccc(NC(=O)c2ccc(N3CC[C@H]([C@@H](C)O)C3)cc2)c1 1875318334 GAZSNWFEAIGVSJ-QAPCUYQASA-N 334.419 3.127 30 50 EGEA CC(=O)Nc1ccccc1CC(=O)[C@@H](C#N)c1nc2ccccc2o1 170615544 WOBNRTYBCXJTSO-CQSZACIVSA-N 333.347 3.205 30 50 EGEA CC1(C)OB(c2ccc(NC(=O)Nc3cccnc3)cc2)OC1(C)C 198029212 UAUQNTQWZIESMZ-UHFFFAOYSA-N 339.204 3.025 30 50 EGEA N#Cc1cc2[nH]c3ccccc3c2n(-c2ccc([N+](=O)[O-])cc2)c1=O 447968 RGQQFAFUXNUEMQ-UHFFFAOYSA-N 330.303 3.252 30 50 EGEA CC#CCN(Cc1ccco1)C(=O)CC(=O)Nc1ccc(C)cc1C 55054027 KANKZOFPDTYEMZ-UHFFFAOYSA-N 338.407 3.277 30 50 EGEA N#Cc1c2ccc(OCC(=O)NCc3ccco3)cc2n2ccccc12 1403769 OSWSIGMUKMGEKH-UHFFFAOYSA-N 345.358 3.252 30 50 EGEA C=CCn1c(SCC[C@@H]2CC2(F)F)nnc1C1CCNCC1 426377815 ALXLZQNWJBBDMI-GFCCVEGCSA-N 328.432 3.069 30 50 EGEA C#CCCC1(CCC(=O)NC[C@@H]2CCN(c3ccccc3F)C2)N=N1 952883002 VUXLSQLFXCKANB-HNNXBMFYSA-N 342.418 3.124 30 50 EGEA Cn1cc([C@H](NC(=O)Nc2cccc(C#N)c2)c2ccc(F)cc2)cn1 185654413 UZWVTZHAQOCRLG-GOSISDBHSA-N 349.369 3.342 30 50 EGEA COc1ccnc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c1 133714430 ACWLIMLONNVCEK-UHFFFAOYSA-N 339.439 3.415 30 50 EGEA C[C@@]12CCC(=O)[C@@H]1[C@@H]1C[C@@H]3O[C@]34CCC3(C[C@]4(C)[C@@H]1CC2)OCCO3 253531169 MUOSCBNRUUJMHQ-QQZKFIBNSA-N 346.467 3.473 30 50 EGEA CCOc1cccc(NC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@@H]4O[C@H]4[C@H]23)c1 254300352 TTWBJLXTVXWETO-RWWSCSLWSA-N 329.396 3.446 30 50 EGEA CC(C)O[C@@]1(c2nnc(/C=C/c3ccccc3C#N)o2)CCOC1 886082294 UJGQEGRDDSJTQB-DVBCCOPCSA-N 325.368 3.152 30 50 EGEA C[C@@H](c1cccc(C#N)c1)N1CCN([C@@H]2CCCc3c2cnn3C)CC1 170602823 QUSPEJMTMOXGFE-HRAATJIYSA-N 349.482 3.048 30 50 EGEA Cc1cccc(Cn2ncc(C)c2NC(=O)c2cc(C#N)cn2C)c1 1506413622 JJUAXSQZMVIRCH-UHFFFAOYSA-N 333.395 3.011 30 50 EGEA C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1N1CCOCC1 5270789 RXNHCYOVTBWAAP-UHFFFAOYSA-N 334.423 3.270 30 50 EGEA CCN1CCC[C@@H](/N=C(/O)[C@H]2C[C@@]23CCOc2ccc(OC)cc23)C1 328606974 UIUJCMVORHFNGV-WIBUTAKZSA-N 344.455 3.176 30 50 EGEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2ccnc3ccccc23)C1 328610629 IQJSUWRNMAAYFN-SFHVURJKSA-N 337.383 3.008 30 50 EGEA Cc1ccc(CN(C)C)cc1NS(=O)(=O)c1cc(C#N)ccc1C 154039455 PHGIWUDVWPBGKI-UHFFFAOYSA-N 343.452 3.038 30 50 EGEA COc1cc(C(=O)/C=C\Nc2cc(C)ccn2)cc(OC)c1OC 1776110955 ZFRKJGZPQAUBTJ-VURMDHGXSA-N 328.368 3.224 30 50 EGEA Cc1nnc([C@]23CCC[C@H]2CN(c2cc(Cl)ccc2C#N)C3)o1 912373965 UJDUVXGPMZSNSF-GUYCJALGSA-N 328.803 3.461 30 50 EGEA C[C@H]1C(C#N)(C#N)[C@@]2(C#N)C(=N)O[C@@]1(C)O[C@H]2c1ccccc1Cl 245326483 KSIJAWXPQCVRDP-BYLNDYCFSA-N 340.770 3.315 30 50 EGEA C=CCCC(=O)N1CC[C@]2(CCCN(Cc3cccc(C)c3)C2=O)C1 12594439 FWLJPKYTTRVLBE-OAQYLSRUSA-N 340.467 3.302 30 50 EGEA C[C@@H](C/N=C(/O)[C@@H]1CCO[C@H]1c1ccnn1C)Oc1cccc(F)c1 328645920 ZULWRVGNXNFGPE-XGWLTEMNSA-N 347.390 3.061 30 50 EGEA C#CCN1C(=O)[C@](O)(CC(=O)c2cc(C)c(C)cc2C)c2ccccc21 4866534 WSYTYTDWLVQLKN-QFIPXVFZSA-N 347.414 3.052 30 50 EGEA C=C(C)COc1ccccc1CNCCc1nc(-c2cccnc2)n[nH]1 55134165 YSVOZHIAVCWJTK-UHFFFAOYSA-N 349.438 3.154 30 50 EGEA C[C@H](C1CC1)n1cc(N=C(O)N2CCC[C@H](OCC3CC3)C2)cn1 328595769 DYSSFOPYRPSJPK-DYVFJYSZSA-N 332.448 3.291 30 50 EGEA N#Cc1ccccc1N1CCN(Cc2ccc(Cl)c(F)c2)CC1=O 82108500 QFMXPKYDLGPPQQ-UHFFFAOYSA-N 343.789 3.200 30 50 EGEA O=C(/C=C/N1CCN(Cc2ccccc2)CC1)C(F)(F)C(F)(F)F 20405842 DJIVMJNPYCLHPC-VOTSOKGWSA-N 348.315 3.085 30 50 EGEA O=C1/C(=C(\O)CS(=O)(=O)c2ccccc2)Sc2ccccc21 334158923 BIMOEYKMJUKXSQ-DTQAZKPQSA-N 332.402 3.219 30 50 EGEA C[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@@H]1[C@@H]1CC[C@](C)(O)[C@]1(C)C[C@H]2O 257358326 SUKMOMANEUHOTO-RNBUFOGOSA-N 332.484 3.486 30 50 EGEA C=CCSc1nc(O)c2c(n1)NC(=O)C[C@H]2c1cccc(C)c1F 670416182 WNUOVVNGJPJAMH-NSHDSACASA-N 345.399 3.382 30 50 EGEA CC1(C)OB(C2=CCN(C(=O)N3CCCC4(CC4)C3)CC2)OC1(C)C 1776007535 KESUJGNKIQDJNT-UHFFFAOYSA-N 346.280 3.246 30 50 EGEA N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)OC2CCC2)CC1 170654741 XPWQIPIKZHCLSC-UHFFFAOYSA-N 341.367 3.118 30 50 EGEA Cc1ccc(C(C)(C)C)cc1S(=O)(=O)/N=C(\N)c1ccccc1 13557089 LPYKPPKRYCDGLC-UHFFFAOYSA-N 330.453 3.387 30 50 EGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC 19638637 XWCVJHIWWGHHJF-GOSISDBHSA-N 341.407 3.226 30 50 EGEA C=CCC(O)(CC=C)[C@H](C)Nc1nncc(-c2ccccc2F)n1 11878136 MTQDEHNRNUUHOI-ZDUSSCGKSA-N 328.391 3.361 30 50 EGEA CS[C@H](C)/C(O)=N/[C@H](c1nc(C(C)C)no1)C1CCOCC1 328611405 LIYIPKOEGATYRM-PWSUYJOCSA-N 327.450 3.369 30 50 EGEA C#CCCC1(CCC(=O)Nc2ccc(Cn3ccccc3=O)cc2)N=N1 2325892520 QBDMHTYABWELBC-UHFFFAOYSA-N 348.406 3.191 30 50 EGEA CCN(c1ccccc1)S(=O)(=O)c1nc(C)c(Cl)c(C)c1C#N 1446060 BSQQOBJFMIAEAM-UHFFFAOYSA-N 349.843 3.439 30 50 EGEA C[C@@H]1[C@@H](N2C[C@H](C(=O)Nc3cccc(C#N)c3)CC2=O)CCC[C@H]1C 240668156 HMPYZYPZCIPARC-KKBFJZEXSA-N 339.439 3.170 30 50 EGEA C=CC[C@]1(CO)CCCN(Cc2cc3c(cc2OC)OCCCO3)C1 92066862 RIMNCSULMOAVKZ-FQEVSTJZSA-N 347.455 3.007 30 50 EGEA C#CCCC1(CCC(=O)NCc2cccc(CN3CCCC3)c2)N=N1 952883388 WOTKZRBZZJJYTQ-UHFFFAOYSA-N 338.455 3.254 30 50 EGEA C#Cc1cccc(NC(=O)c2ccc(N3CC[C@@H]([C@@H](C)O)C3)cc2)c1 1875318332 GAZSNWFEAIGVSJ-CRAIPNDOSA-N 334.419 3.127 30 50 EGEA CCOc1ccc(S(=O)(=O)Nc2cccc(F)c2C)cc1C#N 4727658 MDPIUQAGDYQKHX-UHFFFAOYSA-N 334.372 3.205 30 50 EGEA CCOc1ccc(CNC(=S)N/N=C/[C@H]2CCOC(C)(C)C2)cc1 4964924 DKIJSFXDVZIYTC-NPRIEWAGSA-N 349.500 3.240 30 50 EGEA C=CCOc1ccc(/C=C2\SC(=S)N(CCCOC)C2=O)cc1 2674206 HVWOHOWZZAWHAY-QINSGFPZSA-N 349.477 3.489 30 50 EGEA COc1ccc(Br)c(C(=O)NCC(C)(C)CC#N)c1 315755169 HFWCSHNZABEMSS-UHFFFAOYSA-N 325.206 3.127 30 50 EGEA C#CCCC1(CCC(=O)NC[C@H]2CCCN2C2CCCCC2)N=N1 2325892611 UFJLJOJHPDVUJY-QGZVFWFLSA-N 330.476 3.255 30 50 EGEA Cc1c(CN(C)Cc2cnn(-c3ccc(F)cc3)c2)cc(C#N)n1C 72128867 BHAPAOIWOGMEGF-UHFFFAOYSA-N 337.402 3.162 30 50 EGEA CC[C@H](C/N=C(/O)N1C[C@@H]2CC[C@H](C1)O2)Oc1ccccc1Cl 330100098 DQKDHXLCEMCFSB-MCIONIFRSA-N 338.835 3.275 30 50 EGEA COc1ccc(C(=O)CSc2nc(C)ccc2C#N)cc1OC 614430 LCCWGIWUYRPOPJ-UHFFFAOYSA-N 328.393 3.254 30 50 EGEA CC(C)N(C(=O)c1cc(F)ccc1B1OC(C)(C)C(C)(C)O1)C(C)C 170004112 WUCNMUBQYJVBEZ-UHFFFAOYSA-N 349.255 3.384 30 50 EGEA Cc1oc(C#N)cc1C(=O)N1CCC[C@@H](Cn2cnc3ccccc32)C1 369052651 COVZJUXQQYFNCH-OAHLLOKOSA-N 348.406 3.362 30 50 EGEA Cc1nnc(Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c(C#N)c1C 131746186 BMXUNXHRRMTUSL-AWEZNQCLSA-N 341.390 3.439 30 50 EGEA N#Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)cn1 72425618 ZTPRXCJFPWFMMV-KRWDZBQOSA-N 349.369 3.336 30 50 EGEA CC(C)n1ncc2c(C(=O)N3CCCC[C@@H]3C#N)cc(C3CC3)nc21 1875374564 WRUMTAOGTUQHLK-CQSZACIVSA-N 337.427 3.408 30 50 EGEA C=CCOc1ccc(C(=O)N[C@@H](C)Cc2ccncc2)cc1OCC 55359106 ZNAKQWBRYYFZSI-HNNXBMFYSA-N 340.423 3.406 30 50 EGEA COc1cc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 4488870 ROKHFNYOTVOAOB-SNVBAGLBSA-N 349.814 3.301 30 50 EGEA N#Cc1cnc(NCC2(c3ccc4c(c3)OCCO4)CCCC2)cn1 120901939 MQTLLRZCSCKSJU-UHFFFAOYSA-N 336.395 3.043 30 50 EGEA Cc1ccc(O)c(N=C(O)c2ccc3c(c2)N=C(O)CCN3C)n1 328587299 XUDQPTLQXWGRNO-UHFFFAOYSA-N 326.356 3.160 30 50 EGEA CC(C)(C)OC(=O)N1CC[C@@H]1/C(O)=N/Cc1nc2cc(F)ccc2o1 328600324 WVCHYAAQHBDZHU-GFCCVEGCSA-N 349.362 3.433 30 50 EGEA C[C@H]1CN(c2nccc(C#N)n2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 450538506 GRTUGQQLEOKVQE-NHYWBVRUSA-N 348.328 3.333 30 50 EGEA N#CCCCS(=O)(=O)Cc1cc(Br)ccc1Cl 190928602 BHYLRHAJBPSHGK-UHFFFAOYSA-N 336.638 3.321 30 50 EGEA Cc1ccc(-c2cc[n+](CC(=O)c3ccc([N+](=O)[O-])cc3)cn2)cc1 5683886 XLQBAEMBDFWUJB-UHFFFAOYSA-N 334.355 3.136 30 50 EGEA CC#CC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 12465024 PGOITWXJFOWPIF-MRXNPFEDSA-N 325.387 3.164 30 50 EGEA N#Cc1c(NC(=O)c2ccccc2C(=O)O)sc2c1CCCC2 186443 RCZITQUBOCVMBA-UHFFFAOYSA-N 326.377 3.449 30 50 EGEA Cc1cc(N2CCCN(Cc3ccccc3F)CC2)nc(C)c1C#N 2356148064 FUIURSFBFXYNOY-UHFFFAOYSA-N 338.430 3.422 30 50 EGEA CCNc1ncc(C(=O)N(CC#Cc2ccccc2)C2CCCC2)cn1 55270709 MISYCSOWAGRJLA-UHFFFAOYSA-N 348.450 3.345 30 50 EGEA C/N=C(/O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 328587166 AZEQXMOAPCADNU-JSGCOSHPSA-N 329.366 3.222 30 50 EGEA Cc1nc(C(=O)N(C)C2(C/N=C(/O)OC(C)(C)C)CCC2)c(C)o1 328600500 XVKRZDBYEMYSOC-UHFFFAOYSA-N 337.420 3.015 30 50 EGEA C=CC(=O)N1CCC(C(=O)N(CC)CC(=C)C)(c2ccccc2)CC1 490731112 JAULPEASQNXJHR-UHFFFAOYSA-N 340.467 3.157 30 50 EGEA N#Cc1cc(Cl)ccc1CN1CCC(Nc2cccnn2)CC1 186964434 MBFSJTXDDHLZIB-UHFFFAOYSA-N 327.819 3.078 30 50 EGEA N#Cc1ccccc1COc1ccc(/C=C2\SC(=N)NC2=O)cc1 4103685 ZRHABYDAHXFPPS-SXGWCWSVSA-N 335.388 3.276 30 50 EGEA N#Cc1nc(-c2ccc(COc3ccccc3Cl)o2)oc1NN 1775964873 JISOJWHWRJDWGV-UHFFFAOYSA-N 330.731 3.324 30 50 EGEA N#Cc1ccc(N2CCC[C@H](Cn3cncn3)C2)c(C(F)(F)F)c1 150837351 INDIWJJIKHZWJK-ZDUSSCGKSA-N 335.333 3.085 30 50 EGEA C#CCCC1(CCNC(=O)c2cccc(NCc3ccccn3)c2)N=N1 2325891422 FVGYXLXXZYJFRT-UHFFFAOYSA-N 347.422 3.389 30 50 EGEA C#CCOC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 2983318 BCHBWZJOUDAPIO-YDJMSOKMSA-N 331.371 3.190 30 50 EGEA aggregator CCOc1ccccc1/C=N/Nc1nnc(-c2ccccc2)c(O)n1 3945116 FJBNIDSLGNQMBE-XDHOZWIPSA-N 335.367 3.089 30 50 EGEA CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccsc2)C1=O 136009521 VYNUVKVGKNGZGH-MRXNPFEDSA-N 337.445 3.064 30 50 EGEA CCOC(=O)[C@@H](C#N)[C@@]1(c2ccc(OC)cc2)CCOC(C)(C)C1 209734 GHWOYMJONOHRTR-APWZRJJASA-N 331.412 3.225 30 50 EGEA C=C(C)CS(=O)(=O)N1CCC(c2nc3c(s2)CCCC3)CC1 331480266 GGCCYTSDPJXTRG-UHFFFAOYSA-N 340.514 3.107 30 50 EGEA N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)o1 367752283 HLHDDOMOMWMBOY-YJBOKZPZSA-N 342.420 3.241 30 50 EGEA Cn1c(=O)oc2ccc(NC3CCN(c4ccc(C#N)cc4)CC3)cc21 285954936 FESDXSGIDHZVQM-UHFFFAOYSA-N 348.406 3.084 30 50 EGEA CC1(C)CN(C(=O)CC#N)[C@@H]1c1nccn1COCC[Si](C)(C)C 1157158454 ZCGYZNMXEKXLJZ-OAHLLOKOSA-N 348.523 3.019 30 50 EGEA CC(C)(C)OC(=O)N1CCOc2c1ccnc2C#C[Si](C)(C)C 169794255 BLJXYAVCSGBWNF-UHFFFAOYSA-N 332.476 3.444 30 50 EGEA in-vitro C=C(C)[C@H](O)COc1ccc2c(OC)c3ccoc3nc2c1OC 5853670 LNJTUUHDKCPQAA-CYBMUJFWSA-N 329.352 3.314 30 50 EGEA biogenic,in-vitro CCc1nc(-c2ccccc2NC(=O)c2ccc(CC#N)cc2)n[nH]1 372266990 OBAMGBAWDPDVGO-UHFFFAOYSA-N 331.379 3.352 30 50 EGEA C=CCN(Cc1ccccc1)C(=O)c1cnnn1Cc1ccccc1 341168719 VOVJZAJWSKKFRL-UHFFFAOYSA-N 332.407 3.155 30 50 EGEA C#CC[C@@H]1CCCN(C(=O)[C@H](NC(=O)c2ccccc2)[C@H](C)CC)C1 843682908 ZNBIPDBKRLOAIL-ZHALLVOQSA-N 340.467 3.093 30 50 EGEA Cc1nnc(N2CCC(n3c(C)nc4ccccc43)CC2)c(C#N)c1C 280229525 LNZPTBPZLGSXSW-UHFFFAOYSA-N 346.438 3.465 30 50 EGEA CCc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)s1 442321 JUTRSVJNUQQDHL-OQLLNIDSSA-N 328.846 3.276 30 50 EGEA Cc1cccc(-c2cc[n+](CC(=O)c3cccc([N+](=O)[O-])c3)cn2)c1 5711131 OOZWREZCKBZFJG-UHFFFAOYSA-N 334.355 3.136 30 50 EGEA C=CCn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1C1CC1 6741028 VDVOTITVLXNVIG-UHFFFAOYSA-N 349.847 3.121 30 50 EGEA N#Cc1ccnc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c1 67672942 KQOVFFSCRMBRHM-VQTJNVASSA-N 329.403 3.461 30 50 EGEA Cn1cc([C@H]2OCCC[C@@H]2/N=C(/O)CCCc2ccccn2)cn1 328619501 FXOLQSMHDVZQLV-FUHWJXTLSA-N 328.416 3.015 30 50 EGEA CCN1CCC[C@H](/N=C(/O)[C@H]2C[C@@]23CCOc2ccc(OC)cc23)C1 328606973 UIUJCMVORHFNGV-JNAXZKDPSA-N 344.455 3.176 30 50 EGEA C=C1CN(C(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 66346592 ZBBGSTVVIHQHBT-UHFFFAOYSA-N 346.427 3.432 30 50 EGEA CC(C)c1cc(N2CCN(c3ccccc3C#N)CC2)n2nccc2n1 72163788 ROLLFXBRVSSPCA-UHFFFAOYSA-N 346.438 3.051 30 50 EGEA Cc1ccccc1CNC(=O)CN1CCC(C#N)(c2ccccc2)CC1 244899737 ZPCVPRINURDESS-UHFFFAOYSA-N 347.462 3.169 30 50 EGEA C=CCC1(NC(=O)C#CC)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1875370215 GJGSONKSRITGNF-RTHVDDQRSA-N 332.444 3.003 30 50 EGEA Cn1cc([C@@H](NC(=O)Nc2cccc(C#N)c2)c2ccc(F)cc2)cn1 185654431 UZWVTZHAQOCRLG-SFHVURJKSA-N 349.369 3.342 30 50 EGEA N#Cc1c(F)cccc1C(=O)N1CCO[C@H](c2cccc(F)c2)C1 189038076 JTBUWCNYGDISCA-KRWDZBQOSA-N 328.318 3.050 30 50 EGEA COc1ccc(/C=N/NC(=S)Nc2cccc(C)c2)cc1OC 288733 PJYSCNIRGUVFFF-WOJGMQOQSA-N 329.425 3.333 30 50 EGEA C#CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1OCC 3464144 CVJHJQUQWXLMHT-PTNGSMBKSA-N 347.461 3.318 30 50 EGEA COc1c(Cl)cc(Cl)cc1/C=C1\S/C(=N/C(C)=O)NC1=O 5562614 KNVICWTXJICRNV-WMZJFQQLSA-N 345.207 3.108 30 50 EGEA CC(=O)N1CCC[C@H](c2nnc(C=Cc3cccc(C#N)c3)o2)[C@@H]1C 1857527129 IVGBLFVJWWMFGP-GUYCJALGSA-N 336.395 3.226 30 50 EGEA Cc1cc(C)c(C#N)c(N2CCC[C@@]3(CCc4cnc(C)nc43)C2)n1 2356159378 XWOOQADGZTYAQK-HXUWFJFHSA-N 333.439 3.153 30 50 EGEA CNc1ccc([N+](=O)[O-])cc1N/C=C/C(=O)c1ccc(OC)cc1 4982061 KXGYAOQADHKTRT-MDZDMXLPSA-N 327.340 3.454 30 50 EGEA C=CCOc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 4842599 PPOLESINFJASIC-UHFFFAOYSA-N 340.398 3.353 30 50 EGEA COC(=O)c1ccc(N=C(O)CC/N=C(/O)OC(C)(C)C)s1 328592115 ZXAKNNGFRAZXTR-UHFFFAOYSA-N 328.390 3.242 30 50 EGEA Cc1ccc([C@H](C/N=C(/O)[C@H]2CCCC23OCCO3)N2CCCC2)o1 328590116 AWAUFCGYGOFIQX-CVEARBPZSA-N 348.443 3.225 30 50 EGEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(Cc2ncc(C(C)C)s2)C1 328621562 HUSOMANFCJIHFB-MRXNPFEDSA-N 349.460 3.036 30 50 EGEA C=CCn1nc(C)c(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)c1C 71707843 YYMAWEYXODHIBO-UHFFFAOYSA-N 347.426 3.209 30 50 EGEA CCCn1ncc(C(=O)NCCc2c(C)[nH]c3ccc(C#N)cc23)c1C 91650785 YQOBLFIJVSWHBY-UHFFFAOYSA-N 349.438 3.235 30 50 EGEA C=CCc1cc(C(=O)N[C@H](C)c2nncn2C(C)C)ccc1OC 820505699 WCZFSPDWDXOZMA-CYBMUJFWSA-N 328.416 3.087 30 50 EGEA CN(C)/C=C/C(=O)c1nnn(-c2ccccc2)c1Nc1ccccc1 210979 ZHTBXJPNJYVMNV-BUHFOSPRSA-N 333.395 3.269 30 50 EGEA Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 332196182 YTUOTHSVTVEFAS-CQSZACIVSA-N 348.450 3.328 30 50 EGEA CC(C)(O)C#Cc1ccc(C#Cc2ccc(C#CC(C)(C)O)cc2)cc1 4523767 QSWJXKXSPDTYOF-UHFFFAOYSA-N 342.438 3.331 30 50 EGEA CCc1c(C)sc(NC(=O)c2cc3nc(C)cc(C)n3n2)c1C#N 4820285 XDVPJLSEAJOIJS-UHFFFAOYSA-N 339.424 3.402 30 50 EGEA CC(C)n1cc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)c2C#N)cn1 67773592 PNUOGHHSABCIQV-UHFFFAOYSA-N 347.378 3.376 30 50 EGEA CCn1cc(/C(O)=N/c2nncs2)c(=O)c2cc(Cl)ccc21 32598228 WWVKKWZQDJKVAA-UHFFFAOYSA-N 334.788 3.163 30 50 EGEA N#Cc1cc(F)ccc1CN1CC[C@@](CO)(Cc2ccc(F)cc2)C1 377542115 HGGKEDNIJXZVQQ-HXUWFJFHSA-N 342.389 3.264 30 50 EGEA Cc1ccc(F)c(O)c1CN1CCO[C@@H](c2cccc(C#N)c2)C1 952995535 PHYOSNGVBFOTOR-GOSISDBHSA-N 326.371 3.285 30 50 EGEA CC(=O)N1CC[C@H](/C(O)=N/[C@H]2CCCc3cn(C4CCCC4)nc32)C1 329314548 HAJYNANXYXNMST-RDJZCZTQSA-N 344.459 3.201 30 50 EGEA CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(C#N)c(C)c2)n[nH]1 435725580 YSEJXLXYFHASDJ-LLVKDONJSA-N 332.429 3.294 30 50 EGEA N#C[C@@H]1CCCN(C(=O)c2cc(-c3cn[nH]c3)nc3cc(F)ccc23)C1 20780405 NZGHFQCOKPFPIQ-LBPRGKRZSA-N 349.369 3.140 30 50 EGEA C=CCOc1ccc(C(=O)N(C)CC2(CO)CCCC2)cc1OCC 55270491 NEOBFAQBBMTBDE-UHFFFAOYSA-N 347.455 3.275 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)N=N1 952881019 NJCDUEKHGLWDIL-IAGOWNOFSA-N 325.412 3.379 30 50 EGEA C=C(C)CN(CC)C(=O)c1cc(Cn2c(C)nc3ccccc32)on1 12448835 RSDDDGBJTDVSEC-UHFFFAOYSA-N 338.411 3.419 30 50 EGEA N#CC1(CCCN2CC[C@@H](Oc3cccc(F)c3)C2)CCOCC1 252490437 KTLDMWVWJZGKAU-GOSISDBHSA-N 332.419 3.379 30 50 EGEA Cc1cccc(CN=C2NC[C@@H]3CC[C@H](C)CN23)c1Br 2325864024 DPGDXNWETWWYLC-FZMZJTMJSA-N 336.277 3.317 30 50 EGEA Cc1ccc(-c2cc(/C(O)=N/c3nn[nH]n3)c3ccccc3n2)cc1 8550604 BQPUACFYJCNWEW-UHFFFAOYSA-N 330.351 3.360 30 50 EGEA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1/C(O)=N/[C@@H](C(=N)O)C(C)C 328605072 MGISFRXGVYRVDB-DDUZABMNSA-N 332.400 3.252 30 50 EGEA Cc1nnc([C@@H]2COCCN2C(O)=Nc2csc3ccccc23)o1 328616385 BNTPTCKGDSPZIQ-ZDUSSCGKSA-N 344.396 3.212 30 50 EGEA CCCn1cnnc1[C@@H](C)NC(=O)Nc1ccc(C#N)cc1CC 95521020 MJJYALYQSIRHLN-GFCCVEGCSA-N 326.404 3.005 30 50 EGEA Cc1nc(N2CCN(c3ccncc3)[C@H](C)C2)c(Cl)cc1C#N 882820749 ZGKNOHCVLHJTAT-GFCCVEGCSA-N 327.819 3.025 30 50 EGEA CC[C@@H](CC#N)NC(=O)Nc1cccc2c1CN(c1ccccn1)C2 274680410 WTDMOJKKQNFMTF-HNNXBMFYSA-N 335.411 3.416 30 50 EGEA CC(C)NC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 405070399 BBRLITHOACVPCJ-UHFFFAOYSA-N 338.644 3.169 30 50 EGEA N#C[C@@H]1N(C(=O)Cc2ccc(Cl)s2)CCC[C@@]12CCCCO2 253395317 ZQPPQTQJZQZPPD-BBRMVZONSA-N 338.860 3.398 30 50 EGEA O=S1(=O)CCC[C@@H](C/N=C(/O)CC23CC4CC(CC(C4)C2)C3)C1 329302993 WQNUIMUWKWWRMX-IILDEKEXSA-N 339.501 3.374 30 50 EGEA N#Cc1cccc(CNC(=O)c2c(F)cccc2Br)c1 175501577 XJWJEMHXPCAGTQ-UHFFFAOYSA-N 333.160 3.390 30 50 EGEA Cc1ccc([N+](=O)[O-])cc1NCc1nnc(-c2ccc(C#N)cc2)o1 132678903 TYUZOYJMNQRILJ-UHFFFAOYSA-N 335.323 3.437 30 50 EGEA C#CCCC1(CCNC(=O)c2ncc3cc(Cl)c(F)cc3n2)N=N1 1875381641 BUPMWHYVAWQKHR-UHFFFAOYSA-N 345.765 3.118 30 50 EGEA CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2F)cc1 308155 OYNIHPNQWWLSRZ-XDHOZWIPSA-N 334.416 3.436 30 50 EGEA COc1ccc2ccccc2c1/C=N/NS(=O)(=O)c1ccccc1 439622 SMFOOCSIFWWQQE-CPNJWEJPSA-N 340.404 3.161 30 50 EGEA Fc1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1 1250256 GNEZZMCKIJMSIT-VCHYOVAHSA-N 328.372 3.167 30 50 EGEA N#Cc1c(NC(=O)COc2ccc(F)cc2F)sc2c1CCC2 139883 ZSEOUPPCMPPBIS-UHFFFAOYSA-N 334.347 3.404 30 50 EGEA Cc1cc(N2CCOCC2)c(F)cc1[C@@](C)(O)C#Cc1ccccc1 268433 HZORSQLFFXJAMC-NRFANRHFSA-N 339.410 3.230 30 50 EGEA N#Cc1ccccc1C(=O)N1CCC([C@H](O)Cc2ccccc2)CC1 67650061 RNGAICFTIULECX-HXUWFJFHSA-N 334.419 3.014 30 50 EGEA C=CCn1c(-c2cn(Cc3ncccc3C)nn2)nc2ccccc21 91663192 ODTOECHZZSZBMO-UHFFFAOYSA-N 330.395 3.233 30 50 EGEA N#Cc1cccc(Cl)c1N1CCC([C@@H]2CC[C@H](C(=O)O)O2)CC1 1775958251 MXIANYRIXYFFOO-LSDHHAIUSA-N 334.803 3.060 30 50 EGEA COc1ccc2occ(C(=O)[C@@H](C#N)C(=O)NC3CCCCC3)c2c1 408515783 IWNVHWUPAFHLNF-OAHLLOKOSA-N 340.379 3.213 30 50 EGEA CC(C)(C)OC(=O)n1ncc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 169809873 YUDDGOUBTYNGSF-UHFFFAOYSA-N 344.220 3.119 30 50 EGEA O=C1N/C(=N\Nc2ccc([N+](=O)[O-])cc2)S/C1=C/c1ccccc1 4995892 UGANGSIBPKINBX-GXDHUFHOSA-N 340.364 3.182 30 50 EGEA CC[C@@H](C#N)S(=O)(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 229977142 XITPVUJREWKDBR-OLZOCXBDSA-N 341.502 3.078 30 50 EGEA Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)nc2Cl)cc1 97743322 GYBDDWOJOWYJHQ-LZYBPNLTSA-N 344.223 3.009 30 50 EGEA N#Cc1ccnc(NCc2ccc(OC3CCCC3)nc2)c1[N+](=O)[O-] 268490514 NRCAPDMMJHGTLN-UHFFFAOYSA-N 339.355 3.190 30 50 EGEA C#C[C@H]1C[C@H]1c1nc(-c2cccc(OCCOC(C)(C)C)n2)no1 1875291129 OKZXSGQLZZVROE-QWHCGFSZSA-N 327.384 3.062 30 50 EGEA CC(C)(C)N=C1NN=C(c2ccncc2Br)CS1 1875279234 HMQZIUDFVKDBCN-UHFFFAOYSA-N 327.251 3.039 30 50 EGEA N#Cc1ccc(N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)nc1 225461055 MRKIPTCNBHAQPT-IUODEOHRSA-N 333.313 3.284 30 50 EGEA O=C(O)C[C@@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O 13116575 YHPXYKMSQIMFLO-YWMAMYRUSA-N 326.377 3.297 30 50 EGEA C=CCOc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1 4868509 JMYHKWTWQYXPFV-UHFFFAOYSA-N 335.363 3.231 30 50 EGEA CCN(CC(=O)O)C1CC(/N=C(/O)c2cc3ccccc3s2)C1 328631731 KUQSSCWMDMBRMG-UHFFFAOYSA-N 332.425 3.143 30 50 EGEA Cc1ccc(CNc2c(C#N)cnc3c(Cl)cccc23)c(=O)n1C 1307111492 LEKHMNSMXCMGJI-UHFFFAOYSA-N 338.798 3.379 30 50 EGEA N#C[C@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1cccc(Cl)c1 170605021 VTBHXDSBQGSWNG-INIZCTEOSA-N 337.766 3.176 30 50 EGEA C=CC[C@H](CC)NC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 281268817 HHZRSDBHRWOLTK-LBPRGKRZSA-N 343.349 3.455 30 50 EGEA CCC1(CC)[C@@H](OC)C[C@H]1/N=C(/O)CN1CCc2ccccc2C1=O 329877896 JXWWHWWXHLRUPF-SJORKVTESA-N 344.455 3.235 30 50 EGEA CC(C)(C)[C@H]1CCc2nc(N)c(C#N)c(-c3ccc(CO)o3)c2C1 71757142 DAFMERSUQISHSP-NSHDSACASA-N 325.412 3.439 30 50 EGEA Cn1c(/C=N/Nc2ccc(C(=O)O)cc2)nc2cc(Cl)ccc21 1875253271 CHINMWKOHQPHAO-GIJQJNRQSA-N 328.759 3.371 30 50 EGEA C[C@@H]1C[C@@H]1c1nc(C#N)c(N2CCN(c3ccc(F)cc3)CC2)o1 1775965342 YLAMLVRGGYQEHI-DOMZBBRYSA-N 326.375 3.135 30 50 EGEA OCC[C@@H](/N=C(/O)c1cc(F)c(Cl)cc1F)C1CCOCC1 330896541 LKKAFPVOIYMDQV-CQSZACIVSA-N 333.762 3.100 30 50 EGEA C=CCOc1ccc(C(=O)N[C@H](C)c2nc(CC)no2)cc1OCC 55401072 NDFAMDXWXYLMJJ-GFCCVEGCSA-N 345.399 3.087 30 50 EGEA Cc1cc(C(F)(F)F)nc(SCC(=O)NCC(C)C)c1C#N 6275808 SSONNWAQCRVCCO-UHFFFAOYSA-N 331.363 3.145 30 50 EGEA C/C(O)=N/[C@H](CC1CCC1)/C(O)=N/[C@@H]1CCO[C@H](c2cncn2C)C1 330211222 CXGHQNFQHQZXMG-INMHGKMJSA-N 348.447 3.132 30 50 EGEA COC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccccn2)C1=O 4872583 XKNAMBCKHQCSQL-KAMYIIQDSA-N 338.388 3.235 30 50 EGEA CCSc1ccc(/C(O)=N/C(C)(C)c2nocc2C(=O)OC)cn1 328593402 SYCXXNJPPUHRKV-UHFFFAOYSA-N 349.412 3.208 30 50 EGEA COc1cccc([C@H](/N=C(/O)c2snnc2C)c2ccccn2)c1 328587110 DZTQZVNFDPKICT-HNNXBMFYSA-N 340.408 3.344 30 50 EGEA Cc1cc(C#N)ccc1N(C(=O)c1cnn(-c2ccccc2)n1)C1CC1 150728614 UURNUOIOHMDYSZ-UHFFFAOYSA-N 343.390 3.257 30 50 EGEA C#CCCC1(CCNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)N=N1 2325890898 AWPHAABLQJJUPI-UHFFFAOYSA-N 349.394 3.309 30 50 EGEA Cc1nscc1/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328628102 NHKAUSVJVTWXID-SECBINFHSA-N 344.362 3.234 30 50 EGEA Cc1ccc2c(c1)[C@@H](/N=C(/O)N1CCC[C@H]1Cn1ccnn1)CCC2 329298498 LKOUDYLAOYHXRR-WMZOPIPTSA-N 339.443 3.043 30 50 EGEA CCn1cc(CN2CCC([C@@H](O)Cc3ccccc3)CC2)cc1C#N 72427196 XVVWMOLNTVEKTB-NRFANRHFSA-N 337.467 3.195 30 50 EGEA CCN(C(=O)CNC(=O)CC1CCCC1)[C@@H](C)c1ccc(C#N)cc1 160959833 UNWFCJPAGDJZEG-HNNXBMFYSA-N 341.455 3.164 30 50 EGEA C=C[C@H]1C[N@@+]2([O-])CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 256009896 WVDIZKMXQMCCAA-YZGIFAOWSA-N 340.423 3.186 30 50 EGEA in-vitro CCCOc1c(/C=C/C(=O)c2cc(CO)on2)cccc1OCC 821013051 TWEDDABSWAPOAR-CMDGGOBGSA-N 331.368 3.251 30 50 EGEA Cc1cc(=NCCc2nccc(-c3ccccc3)n2)[nH]c(C)c1C#N 2356147920 YLUYENAYTQAFQB-UHFFFAOYSA-N 329.407 3.104 30 50 EGEA CCOC(=O)c1ccccc1NC1=C([N+](=O)[O-])C(=O)CC(C)(C)C1 100358571 HYQCMKYAZAJWTD-UHFFFAOYSA-N 332.356 3.153 30 50 EGEA Cc1noc([C@H](/N=C(/O)CCc2cccs2)C2CCOCC2)n1 328614754 WWNCBBGVVLCRMD-OAHLLOKOSA-N 335.429 3.497 30 50 EGEA CCn1c(C)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2OC)c1C 193470558 CYESIGSWPGZWKC-OAHLLOKOSA-N 339.395 3.095 30 50 EGEA Oc1ccc2ccccc2c1/C=N/n1c(S)nnc1-c1ccccn1 1249678 MZHCWSQYPLTGMR-RGVLZGJSSA-N 347.403 3.370 30 50 EGEA C=CCOc1ccccc1CN1CCN(C2CCCC2)[C@H](CCO)C1 19300519 IZPCHOJBEQYCOI-HXUWFJFHSA-N 344.499 3.063 30 50 EGEA N#Cc1cc2c(nc1N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)CCCC2 223426993 MPOHECKXQRJDHM-SIXWZSSISA-N 334.423 3.151 30 50 EGEA C=C(C)CNC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 119101087 ZPAOPYJKMWLFPE-CQSZACIVSA-N 338.411 3.270 30 50 EGEA N#Cc1ccc(N2CCC[C@H](NCc3cc4ccccn4n3)C2)c(F)c1 2325777639 PVVRNWBENLKEFD-INIZCTEOSA-N 349.413 3.104 30 50 EGEA C#CCCC1(CCC(=O)NCc2coc(-c3ccc(C#N)cc3)n2)N=N1 2325900136 MEQSHXRDSAREBT-UHFFFAOYSA-N 347.378 3.185 30 50 EGEA Cc1ccc(/C(N)=N/OC(=O)COc2ccc(Cl)c(C)c2)cc1 4725363 JODNHSRKJYNRNQ-UHFFFAOYSA-N 332.787 3.199 30 50 EGEA CSc1nc2n(n1)[C@H](c1sccc1C)C1=C(CCCC1=O)N2 4776997 UTQBIBLBFMUCDQ-LBPRGKRZSA-N 332.454 3.392 30 50 EGEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)c2cc3ccccn3c2)cn1 328620896 HJLNINZPIFSTMO-ZWKOTPCHSA-N 338.411 3.381 30 50 EGEA CN(Cc1ccc(C#N)s1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328621156 AIPULDALGAXFLC-YJBOKZPZSA-N 326.469 3.140 30 50 EGEA Cn1ccc(CC/N=C(/O)Nc2ncc(C3CCCCC3)s2)n1 329580552 PSJIWTXCDUZDNA-UHFFFAOYSA-N 333.461 3.493 30 50 EGEA CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCCN1C1CCCC1 241897230 TWTLVAQYLSIECA-IBGZPJMESA-N 325.456 3.314 30 50 EGEA C[C@@H](/N=C(/O)N1CC(O)(C2CC2)C1)c1cccc(Cl)c1Cl 329519256 FCRXASCZRBJHQA-SECBINFHSA-N 329.227 3.425 30 50 EGEA Cc1ccccc1C[C@H](C)/N=C(/O)c1cncc(N2CCOCC2)c1 330032886 TUGUWVWGCONHEE-INIZCTEOSA-N 339.439 3.162 30 50 EGEA CC(=O)c1cc(C#N)c(SCC(=O)OCc2ccccc2)nc1C 50050 KPXCNJCJBSCDPD-UHFFFAOYSA-N 340.404 3.300 30 50 EGEA C#CCCC1(CCC(=O)N[C@H](CC(=O)O)CC2CCCCC2)N=N1 2325887085 UFOJRYJYRQJYFG-HNNXBMFYSA-N 333.432 3.272 30 50 EGEA CC[C@H](C(=O)Nc1sc(C(N)=O)c(C)c1C#N)c1ccccc1 4750064 PLRRVGLBMOQTOF-LBPRGKRZSA-N 327.409 3.159 30 50 EGEA C=CCN(Cc1ccco1)C(=O)CC(=O)Nc1ccccc1OCC 65418707 IJXGEBLZSMDCNQ-UHFFFAOYSA-N 342.395 3.222 30 50 EGEA CC(C)(c1ccc(F)cc1)C1(/N=C(/O)Cn2cc([N+](=O)[O-])cn2)CC1 328597944 JNUKVHBAWRETDO-UHFFFAOYSA-N 346.362 3.397 30 50 EGEA CC(C)(O)C#Cc1ccc(-c2nccn2-c2ccccc2CCO)cc1 72148130 DPUDSAMOUBGQEF-UHFFFAOYSA-N 346.430 3.197 30 50 EGEA CCOc1ccc(NC(=O)N2CC(N3CCCC[C@@H]3C)C2)cc1C#N 299758542 KBYUBIIZXJKFLZ-AWEZNQCLSA-N 342.443 3.047 30 50 EGEA C=CCc1cc(CN2CCOC3(CCNCC3)C2)ccc1OC(C)C 820505637 KVTDDMKCLSCAHD-UHFFFAOYSA-N 344.499 3.157 30 50 EGEA CC(C)(O)C#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)o1 952973475 LGWNXSPSPGRYCO-CQSZACIVSA-N 344.436 3.226 30 50 EGEA C#C[C@@H](C)Oc1ccc(COC(=O)c2cccc(-n3ccnc3)n2)cc1 170617246 VWTNFEHDZJDJLK-OAHLLOKOSA-N 347.374 3.025 30 50 EGEA N#Cc1cccnc1N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 280443999 KPJUJJSZKPSCCM-DOMZBBRYSA-N 333.313 3.284 30 50 EGEA COc1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1 1254226 VFJMKLSFZYVXOZ-WOJGMQOQSA-N 340.408 3.037 30 50 EGEA N#Cc1ccc(N2CCC(OCCN3CCCC3)CC2)cc1Cl 266741091 QDBQQZAPJWQHHW-UHFFFAOYSA-N 333.863 3.293 30 50 EGEA COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(C)c1 96517 PXBYRRYSEDTGFD-OAHLLOKOSA-N 341.407 3.095 30 50 EGEA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C[C@H](C#N)CCC#N)C1 343747315 KZBYXVVXYOCJFT-QWHCGFSZSA-N 339.365 3.062 30 50 EGEA CCOC(=O)[C@@H](C#N)c1nnc(-c2ccccc2)c(-c2ccccc2)n1 23114655 KDWCQZSXFUCTDL-INIZCTEOSA-N 344.374 3.376 30 50 EGEA CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1CCOC1=O 101234518 IKQUESGRCDRZTI-HZPDHXFCSA-N 327.465 3.090 30 50 EGEA COC(=O)c1n[nH]cc1-c1c(C)c(C2CCCCC2)nc(N)c1C#N 71755469 FZJGJKWPYVSLIQ-UHFFFAOYSA-N 339.399 3.068 30 50 EGEA COc1cc(/C=N/NC(=S)Cc2ccccc2)cc(OC)c1OC 448716 FEGUQQKUXKDEJW-XDHOZWIPSA-N 344.436 3.206 30 50 EGEA C=CCNC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 11957087 LRXXUMMEOVYVMJ-UHFFFAOYSA-N 345.830 3.428 30 50 EGEA C[C@H](C1CC1)n1cc(N=C(O)N2CCC[C@@H](OCC3CC3)C2)cn1 328595768 DYSSFOPYRPSJPK-CXAGYDPISA-N 332.448 3.291 30 50 EGEA C#CCCC1(CCC(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)N=N1 952881270 LWMDNIPZUDIQCK-KRWDZBQOSA-N 329.444 3.150 30 50 EGEA C[C@H](C#N)CN(C)C(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 222147036 UCLCXPSRMMLAHR-YYVONYOCSA-N 339.277 3.338 30 50 EGEA CC#CC(=O)N[C@@H]1c2ccccc2N(C(=O)OC(C)(C)C)C1(C)C 923076842 XCCRIOSEKABNAQ-MRXNPFEDSA-N 328.412 3.401 30 50 EGEA N#Cc1c[nH]c(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 178385524 LGTOWJQXNQQZFX-ZDUSSCGKSA-N 340.452 3.241 30 50 EGEA CN1CCC[C@@H](CCC(=O)N2CCC(c3cccc(C#N)c3)CC2)C1 92077441 AYOWSRJODHUCDN-KRWDZBQOSA-N 339.483 3.386 30 50 EGEA O=C1[C@H]2[C@H](C(=O)N1/N=C/c1cccc3ccccc13)[C@H]1C=C[C@H]2C12CC2 245226878 QHKWURCCXMUFLW-BVPHSAIOSA-N 342.398 3.371 30 50 EGEA C=C1CCN(C(=O)NCc2cc(OC)ccc2OC(F)F)CC1 893601635 FNNRNBHDBIXRDM-UHFFFAOYSA-N 326.343 3.158 30 50 EGEA N#C[C@@H]1CCC[C@H](Nc2ccccc2CN2CCC(CO)CC2)C1 193112444 ZRFISWNQJWWMNH-MJGOQNOKSA-N 327.472 3.385 30 50 EGEA O=C(NO)c1cnc(NC2(c3cccc(F)c3)CCCCC2)nc1 166616349 IYBURCQQEUNLDL-UHFFFAOYSA-N 330.363 3.006 30 50 EGEA O/C(=N/CCOCc1ccc(Cl)cc1)N[C@H]1CCCc2c[nH]nc21 330032118 IPRTZDXDZHXPIB-HNNXBMFYSA-N 348.834 3.161 30 50 EGEA O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccccc1)n1ncnc1N2 4435933 XHIGTUVIKQAZIQ-ACJLOTCBSA-N 332.363 3.287 30 50 EGEA CN(C)CCOC(=O)Nc1ccc(C(=O)/C=C/c2ccccc2)nc1 25667824 HLQPYMZCWWVVNO-DHZHZOJOSA-N 339.395 3.088 30 50 EGEA C[C@H](/N=C(/O)[C@@H]1CCC(=O)[C@H](C)C1)c1ccc(-n2ccnn2)cc1 328990946 DBVNJJNHXFLRMK-VNHYZAJKSA-N 326.400 3.290 30 50 EGEA CCN(Cc1noc(C2CCC2)n1)C(=O)Nc1cccc(C#N)c1 95502886 BXKOLAGTGFXXPG-UHFFFAOYSA-N 325.372 3.263 30 50 EGEA C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cc2ccccc2s1 184365946 ITLTWXNYQJJDQP-XIKOKIGWSA-N 327.453 3.360 30 50 EGEA C=CCCO[C@@H](C)C(=O)Nc1cc2ccc(Br)cn2n1 170614355 JGGALDOQTWNTPH-JTQLQIEISA-N 338.205 3.017 30 50 EGEA Cn1c([C@@H](C#N)C(=O)c2c[nH]nc2-c2ccccc2)nc2ccccc21 193264686 PBUASYNJMUYTFV-AWEZNQCLSA-N 341.374 3.453 30 50 EGEA Cc1cccc(/C(N)=N/OC(=O)COc2ccc(Cl)c(C)c2)c1 4725357 JBRVPLLJBKXSNN-UHFFFAOYSA-N 332.787 3.199 30 50 EGEA CC(=O)N1C[C@H](CCC(=O)Nc2sccc2C#N)c2ccccc21 253428936 PXFWYOXYTHNEJB-AWEZNQCLSA-N 339.420 3.489 30 50 EGEA CC1(C)[C@H](/N=C(/O)N2CCC(c3nccs3)CC2)[C@@H]2CCCO[C@H]21 329808751 POMBXRMHUMGSPZ-RRFJBIMHSA-N 349.500 3.440 30 50 EGEA Cn1cc(/C(O)=N/[C@@H]2CCCC[C@H]2O)c(-c2ccc(Cl)s2)n1 330001431 AHXJCNDZQJRKTH-GHMZBOCLSA-N 339.848 3.410 30 50 EGEA N#Cc1ccc(N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)nc1 72157865 JDSRQLWGXFJBQA-CEWLAPEOSA-N 330.435 3.020 30 50 EGEA Cc1c([C@@H](C)NC(=O)c2ccc(C#N)nc2)cnn1-c1cccc(F)c1 91391044 WSGLMVZOWMHIRL-GFCCVEGCSA-N 349.369 3.078 30 50 EGEA C#CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 36914699 ZXOKSWZUJXKQCQ-OAQYLSRUSA-N 349.386 3.392 30 50 EGEA in-vitro COc1ccc(N2CCN(c3oc([C@@H]4C[C@H]4C)nc3C#N)CC2)cc1 1775965209 MIUWAYATUKYPJE-CZUORRHYSA-N 338.411 3.005 30 50 EGEA CN1C(=O)C[C@H](c2ccccc2[N+](=O)[O-])C2=C1CC(C)(C)CC2=O 226716 VLSXZLFDUSFVKO-GFCCVEGCSA-N 328.368 3.184 30 50 EGEA C=CCn1cc(CN2CCC[C@@H](c3nc(C(C)C)no3)C2)c(C)n1 55404227 YHACWPIZYIEDRK-OAHLLOKOSA-N 329.448 3.264 30 50 EGEA Cc1ccccc1C(=O)NCC1=CCCN(Cc2cccc(C#N)c2)C1 65371849 CBHBQGWEZXKHJZ-UHFFFAOYSA-N 345.446 3.429 30 50 EGEA CC[C@@H](C)Oc1cccc(Cn2ccc3nc(O)c(C#N)cc3c2=O)c1 67674587 CMTXEZAMEDTHAL-CYBMUJFWSA-N 349.390 3.199 30 50 EGEA Cc1ccccc1[C@@H]1C[C@H](C)N(S(=O)(=O)CC(C)(C)CC#N)C1 331326040 MPVMULXNPUIOGU-JKSUJKDBSA-N 334.485 3.443 30 50 EGEA CCc1nn(C)cc1C(=O)[C@@H](C#N)C(=O)Nc1cccc2ccccc12 181252621 XZQUETHCXFWMGV-OAHLLOKOSA-N 346.390 3.097 30 50 EGEA N#CC1(c2ccccc2)CCN(C(=O)CCCN2CCCCC2)CC1 95375425 ALXCHPFJIZAKGQ-UHFFFAOYSA-N 339.483 3.336 30 50 EGEA N#CCc1cc(C(F)(F)F)c(=O)n(Cc2ccc(Cl)cc2)n1 170619860 OWASJOJLOOQMKX-UHFFFAOYSA-N 327.693 3.030 30 50 EGEA COc1cc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)ccc1O 228748 WONLIVGPSZKNTM-DEDYPNTBSA-N 345.830 3.210 30 50 EGEA CCOc1ccc(S(=O)(=O)/N=C(\NC(C)C)c2ccccc2)cc1 4247666 OBUCDHATOVZJOM-UHFFFAOYSA-N 346.452 3.219 30 50 EGEA CCN(CC)CCSC/C(O)=N/Cc1cc(F)c(C#N)c(F)c1 328593413 ZXCWFCNSZUMNTP-UHFFFAOYSA-N 341.427 3.368 30 50 EGEA C[C@H](C#N)CN(C)C(=O)c1csc(Nc2cc(F)cc(F)c2)n1 294818536 KIABMBJICCXVPO-SECBINFHSA-N 336.367 3.397 30 50 EGEA C=CCOc1c(CNc2ccc3[nH]c(=O)[nH]c3c2)cccc1OC 5126847 RHKMXYKBGIWPTN-UHFFFAOYSA-N 325.368 3.042 30 50 EGEA O/C(=N/CCOCc1ccc(Cl)cc1)[C@H]1CCc2n[nH]cc2C1 328590334 MWYMAFHCVLIPBO-ZDUSSCGKSA-N 333.819 3.341 30 50 EGEA C=CC1(CC(=O)Nc2n[nH]c3cc(C)n(C)c(=O)c23)CCCCC1 822875980 NOYOMOCHODLADM-UHFFFAOYSA-N 328.416 3.035 30 50 EGEA Cc1ccc(-c2nc(C#N)c(N3CC[C@H](c4nc(C)no4)C3)o2)cc1 1857798803 BFJFAYGPSUPTLY-AWEZNQCLSA-N 335.367 3.207 30 50 EGEA C=CCN1CCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)CC1 2356155610 JYVABPKGQSOGAJ-UHFFFAOYSA-N 347.802 3.001 30 50 EGEA Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(C[C@@H](C)CC1=O)N2 4488253 MYIJKDQIDFCTBY-VPTHRUTESA-N 330.338 3.133 30 50 EGEA Cc1cc(O)ccc1-c1cc(-c2cc(C#N)n(C)c2)c(C#N)c(N)n1 71762691 HEEKHQLAJANBJA-UHFFFAOYSA-N 329.363 3.094 30 50 EGEA CC(=O)OC[C@H]1[C@@H]2[C@@H]3CCC4=C3[C@H]3[C@H]2[C@@H]2[C@H]1[C@H]1CCC[C@H]1[C@H]2[C@H]3C4=O 257346384 ACNQABZCVSHDBM-LVVLDPASSA-N 338.447 3.239 30 50 EGEA CCc1ccc([C@H]2CCCCN2S(=O)(=O)c2cccnc2C#N)o1 276966408 FCGTYTBSUABVDF-OAHLLOKOSA-N 345.424 3.025 30 50 EGEA CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2c1ccc(C#N)nc1 170592218 WASQDKZHLLKZEP-UFRUDQCGSA-N 346.434 3.225 30 50 EGEA Cc1cc(CNC(=O)N2CCO[C@H](C#N)C2)ccc1-c1ccccc1 188070893 FCYDUIAYWSKHBA-GOSISDBHSA-N 335.407 3.096 30 50 EGEA C=C(C)CN(CC)[C@@H]1CCC(=O)N(Cc2ccc(OC)cc2)CC1 14954002 WVGFPRLGAUZBGN-GOSISDBHSA-N 330.472 3.474 30 50 EGEA N#Cc1ccc(N2CCC[C@@H](NCc3cc4ccccn4n3)C2)c(F)c1 2325777640 PVVRNWBENLKEFD-MRXNPFEDSA-N 349.413 3.104 30 50 EGEA C=CCOC(=O)c1sc(NC(=O)COc2ccc(C)cc2)nc1C 2905640 ZLBWGDJUBYIEOJ-UHFFFAOYSA-N 346.408 3.120 30 50 EGEA COc1cc(C#N)cc(Cl)c1OC(=O)c1cccc([N+](=O)[O-])c1 4828303 ZICIUOSNZWPIKO-UHFFFAOYSA-N 332.699 3.348 30 50 EGEA CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 4853383 KBDYMVJKPZEWRG-MRXNPFEDSA-N 346.383 3.460 30 50 EGEA C=CCOc1ccccc1-c1c(C#N)c(N)nc2c1N1CCC2CC1 101317938 ZPWSVXDWQXBZQT-UHFFFAOYSA-N 332.407 3.465 30 50 EGEA COc1cccc(NC(=O)[C@]2(C#N)Cc3ccccc3N3CCC[C@H]32)c1 229930156 ZNKAYEUCVTXDGU-FPOVZHCZSA-N 347.418 3.369 30 50 EGEA CC1(C)OB(c2ccc(NC(=O)N3CCCCC3)cc2)OC1(C)C 405148532 PAUJKMBHTROACV-UHFFFAOYSA-N 330.237 3.004 30 50 EGEA COc1ccsc1/C(O)=N/C[C@@H]1CCN(C)[C@H]1c1cccnc1 328617411 CRYMWHCJQAGTTA-ZFWWWQNUSA-N 331.441 3.149 30 50 EGEA CC(C)CN1CCC(CNCc2ccc(C#CC(C)(C)O)s2)CC1 32553432 IACGERJVFHWXRS-UHFFFAOYSA-N 348.556 3.328 30 50 EGEA N#CC1(CS(=O)(=O)N2CC(c3cccc(Cl)c3)C2)CCCC1 333054125 HEPAWZQQMCSOIK-UHFFFAOYSA-N 338.860 3.153 30 50 EGEA N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@H](Cc1ccccc1)O3 137692097 MCBJDBNHNDAUID-WOUAJJJCSA-N 346.390 3.065 30 50 EGEA CN(Cc1ccc(C#CCO)s1)C[C@H]1CCN(c2ccccc2)C1 952986437 HUBZQRCEEGDQIH-QGZVFWFLSA-N 340.492 3.050 30 50 EGEA C=CCCC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 12031309 NDLBLWINQVUIMH-FQEVSTJZSA-N 344.430 3.133 30 50 EGEA CC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2[C@@H]1c1cccc(C)c1 22034606 YAMXUQMJYBYLFK-CYBMUJFWSA-N 341.436 3.158 30 50 EGEA CSc1ccc(/C=N/n2c(S)nnc2-c2cccnc2)cc1 1308197 QRDVWEXWKHSHLI-RQZCQDPDSA-N 327.438 3.233 30 50 EGEA C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC[C@@H](C)C4)[C@H]3[C@H]3O[C@@]132 1772492826 CSUXALKSMYDBAB-KFSMUQNESA-N 347.499 3.244 30 50 EGEA N#Cc1ccc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)nc1 67790025 ZSQDTBRYSKBMIG-VQTJNVASSA-N 329.403 3.461 30 50 EGEA N#Cc1cccnc1N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 67757089 DZYWGLQVADDMPZ-IBGZPJMESA-N 341.842 3.428 30 50 EGEA CCCS(=O)(=O)Nc1cccc(NC(=O)c2sccc2C#N)c1 128392591 LXFLUYGQYKJFFV-UHFFFAOYSA-N 349.437 3.024 30 50 EGEA N#C[C@H](c1ccccc1)C1CCN(C(=O)/C=C/CN2CCCC2)CC1 1875338434 XZTUVBFUQJEWEF-AQDCRGGLSA-N 337.467 3.184 30 50 EGEA C=C(C)CN(Cc1ccccc1)C(=O)C1CCN(C(=O)C(C)C)CC1 279506545 QBGUIZZTYZBOLT-UHFFFAOYSA-N 342.483 3.486 30 50 EGEA COc1ccc(C[C@@H](C)NC(=O)C2(C#N)CCCCC2)cc1OC 171515036 XDVYWNMALQJXIW-CQSZACIVSA-N 330.428 3.225 30 50 EGEA COc1cccc(C(=O)Nc2ccc(Cl)c(C#N)c2)c1[N+](=O)[O-] 193916165 ZOPWJDFDJMUJHD-UHFFFAOYSA-N 331.715 3.381 30 50 EGEA CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/Nc2ccncc2)C1=O 13286455 VLCHKZIXFJNTEB-KAMYIIQDSA-N 348.358 3.381 30 50 EGEA C=CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1Cl 4843862 HPZUFVQKOWORFW-GHRIWEEISA-N 340.810 3.413 30 50 EGEA Cc1ccncc1N/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1cccs1 328655799 YSBFJDIYQQYYMH-KBPBESRZSA-N 348.447 3.390 30 50 EGEA C[C@H](C(O)=Nc1ccc(F)c(F)c1)N1CCC[C@@H](n2cccn2)C1 328721994 XFMZBLBSQADLRB-TZMCWYRMSA-N 334.370 3.475 30 50 EGEA CC(C)(C)c1cc(/C(O)=N/[C@@H]2CCCN(CC(F)(F)F)C2)no1 330599858 CLMNPXZDNPGCTL-SNVBAGLBSA-N 333.354 3.303 30 50 EGEA C#CCCOc1ccc(CNc2ccc(Cn3cncn3)cc2)cc1 159373757 LKMATWRSEPRMDI-UHFFFAOYSA-N 332.407 3.341 30 50 EGEA Cc1nccn1CCCCN1CCCN(c2ccccc2C#N)CC1 179040213 PVWVVNQFKDQSAL-UHFFFAOYSA-N 337.471 3.056 30 50 EGEA N#C[C@H]1CCCN(C(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2)C1 426599757 PBFUVPNMQVUQFJ-CQSZACIVSA-N 334.375 3.458 30 50 EGEA Cc1csc([C@H](C)CNC(=O)c2cccc(C#CC(C)(C)O)c2)n1 299798636 TYMOFGHPMKGRGD-CYBMUJFWSA-N 342.464 3.107 30 50 EGEA C#CCCC1(CCOC(=O)c2ncc(Br)cc2C)N=N1 2325900001 HKLKVCROXDYDSP-UHFFFAOYSA-N 336.189 3.275 30 50 EGEA COc1cc(CO)cc(Br)c1OCc1ccccc1C#N 470600 NKSFIOZRDDBJNY-UHFFFAOYSA-N 348.196 3.401 30 50 EGEA C=C(C)COc1ccccc1CN1CCN(c2ncccc2C#N)CC1 65431597 RUIBPLKBODAAGS-UHFFFAOYSA-N 348.450 3.230 30 50 EGEA C[C@@H](c1ccccc1F)N(CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 252452449 JEYZUGQDDMMNSW-ORAYPTAESA-N 329.419 3.160 30 50 EGEA N#Cc1cccc(C#N)c1N1CCC(C(=O)Nc2ccccc2)CC1 253424016 WRIWQKKQAXPRSX-UHFFFAOYSA-N 330.391 3.285 30 50 EGEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/N=C(/O)[C@@H]1C[C@H]1c1ccco1 328611845 MWKCOKQRBIBCRC-WVZRYYJFSA-N 329.400 3.220 30 50 EGEA CC1(C)C[C@@H](NC2CCN(Cc3ccc(C#N)cc3)CC2)C(C)(C)O1 181261471 BUYGMPVHQXXHMU-LJQANCHMSA-N 341.499 3.458 30 50 EGEA CCOP(=O)(OCC)c1cn(-c2ccc(C)cc2)c(C#N)c1N 823346989 XQFOBDAOMVWARZ-UHFFFAOYSA-N 333.328 3.131 30 50 EGEA C#CC[C@@]1(c2nc(-c3ccc(OCC(F)F)cn3)no2)CCCCO1 1875285943 HMPWCAHOOCZPQC-KRWDZBQOSA-N 349.337 3.195 30 50 EGEA COC(=O)c1ccc(/N=C(\O)c2cc[n+](Cc3ccccc3)cc2)cc1 437692 OTQHERRGRSBQQC-UHFFFAOYSA-O 347.394 3.445 30 50 EGEA COCc1cc(C)nc(SCC(=O)N[C@H]2CCCC[C@H]2C)c1C#N 13281412 NHUJFAZBBCPFKE-WBMJQRKESA-N 347.484 3.195 30 50 EGEA CCOc1ccc(C#N)cc1NC1CCN(Cc2ccncc2)CC1 180463658 LGFYKGZDKXNQPP-UHFFFAOYSA-N 336.439 3.428 30 50 EGEA C#CCCC1(CCC(=O)NCCCc2cnn(-c3ccccc3)c2)N=N1 2325892837 IXTGIYGTODWWJG-UHFFFAOYSA-N 349.438 3.277 30 50 EGEA C=C(C)CN(CC)C(=O)C1CCN(Cc2ccc(OC)cc2)CC1 236150 BVBHSNLFFYWCFM-UHFFFAOYSA-N 330.472 3.332 30 50 EGEA Cc1cc(C)n([C@@H]2CCN(Cc3ccc(C#CC(C)(C)O)s3)C2)n1 65380398 RXDIQAMQPVKWRK-MRXNPFEDSA-N 343.496 3.131 30 50 EGEA Cc1nnc([C@H]2CN(C(O)=Nc3csc4ccccc34)CCO2)o1 328623697 JHQJCGCNJPHMSL-CYBMUJFWSA-N 344.396 3.212 30 50 EGEA Cn1nc([C@@H]2CCCOC2)cc1N=C(O)c1ccnn1C1CCCC1 329869461 YVYLLRHYRYJGJP-CYBMUJFWSA-N 343.431 3.262 30 50 EGEA Cc1ccc(S(=O)(=O)N/N=C\c2c(C)[nH]c3ccccc23)cc1C 17071426 YZMKVLVAMDZDLM-ODLFYWEKSA-N 341.436 3.406 30 50 EGEA C[C@@H]1CCC[C@H](CC(=O)NC2CCN(c3ccncc3C#N)CC2)C1 1875339220 XBAZVGWYEWDKRE-CVEARBPZSA-N 340.471 3.255 30 50 EGEA O=C1C[C@H](/C(O)=N/[C@H]2CCc3cc(Cl)ccc32)CN1c1cn[nH]c1 330088825 VCSZAMZBPVGAQO-NHYWBVRUSA-N 344.802 3.060 30 50 EGEA C#CCCC1(CCOC(=O)c2ncsc2Br)N=N1 2325900007 HLVOKDBVMFDHEI-UHFFFAOYSA-N 328.191 3.028 30 50 EGEA Cn1ccc(-c2cc(-c3ccc(-c4cc[nH]n4)o3)c(C#N)c(N)n2)c1 67458670 ZTKGQPDILLKYNE-UHFFFAOYSA-N 330.351 3.191 30 50 EGEA CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@@H](c1ccccc1)C(C#N)C#N 100616529 IBBUNMDCCDIBFL-OALUTQOASA-N 328.375 3.472 30 50 EGEA CC#CCCNC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 353403673 DCQFSLPYOABRQS-UHFFFAOYSA-N 327.306 3.199 30 50 EGEA Cc1ccnc(N2C[C@H](COc3ccccc3)OC(C)(C)C2)c1C#N 329224089 ZBRJZLWDAPMYAJ-QGZVFWFLSA-N 337.423 3.325 30 50 EGEA Cc1c(Cl)cnc(N2CCC(OC[C@@H]3CCCCO3)CC2)c1C#N 253426576 JQDKWXNZGUUZBQ-HNNXBMFYSA-N 349.862 3.470 30 50 EGEA C#CCCC1(CCC(=O)Nc2cccc(C3(C(=O)O)CCC3)c2)N=N1 2325901251 ZLKDWNZYFQGJKB-UHFFFAOYSA-N 339.395 3.487 30 50 EGEA COc1ccc(CN2CCCC2)cc1Oc1ccnc(OC)c1C#N 67722938 QNHSVQOAWWWEJD-UHFFFAOYSA-N 339.395 3.359 30 50 EGEA O=C1C(Cl)=C(Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc21 44151 FBFXUFXQUBTIRZ-UHFFFAOYSA-N 341.750 3.399 30 50 EGEA CCc1nn(C)c(Cl)c1-c1cc(-c2cc[nH]c2)nc(N)c1C#N 71762403 QAXMQQLTDJEPAE-UHFFFAOYSA-N 326.791 3.147 30 50 EGEA C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC[C@@H](C)C4)[C@H]3[C@@H]3O[C@]132 1772492824 CSUXALKSMYDBAB-ISPFPGQYSA-N 347.499 3.244 30 50 EGEA Cc1cccc(N2C(=O)C[C@H](S/C(N)=N/c3ccccc3)C2=O)c1 18141403 ZEJNZKHCAPAIKW-HNNXBMFYSA-N 339.420 3.007 30 50 EGEA O=C1N[C@@H](c2ccc(F)cc2)C(C(=O)c2ccc(Cl)cc2)=C1O 6493893 HPIRLVOOCKCIDH-AWEZNQCLSA-N 331.730 3.345 30 50 EGEA CNc1snc(C)c1/C(O)=N/C[C@H]1CC(c2ccc(C)cc2)=NO1 328586308 XBPTUKCPJPDLOB-CYBMUJFWSA-N 344.440 3.299 30 50 EGEA COc1cc(CN2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)ccc1C#N 343371760 QODBCKUEWGWCQC-CRAIPNDOSA-N 344.361 3.153 30 50 EGEA N#Cc1ccccc1/C=C/C(=O)N1CC[C@@]2(C1)OCc1ccccc12 186960604 QDIYQYMEJAVODY-GLCJEOIMSA-N 330.387 3.229 30 50 EGEA CC(C)n1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(Cl)c2)cn1 170605044 SIZUFVZRZLZNGW-CQSZACIVSA-N 330.775 3.079 30 50 EGEA Cc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)c(O)c2)c1 1283290 QSHQLBBKYXXYIV-RQZCQDPDSA-N 326.381 3.210 30 50 EGEA Cc1ccccc1-c1nc(C#N)c(S(=O)(=O)Cc2ccccc2)o1 1775976758 PLAFFUYMYUKCTL-UHFFFAOYSA-N 338.388 3.496 30 50 EGEA COc1ccc(N2CCN(c3oc([C@H]4C[C@@H]4C)nc3C#N)CC2)cc1 1775965206 MIUWAYATUKYPJE-BBRMVZONSA-N 338.411 3.005 30 50 EGEA Cn1nccc1[C@@H]1OCC[C@H]1CNc1c(C#N)cnc2ccccc12 225604447 XYSLLBBVDRGXER-ORAYPTAESA-N 333.395 3.030 30 50 EGEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/N=C(/O)[C@H](C)c1cccnc1 328616015 ZMRILDDWCLFEDA-PJQXDXOGSA-N 328.416 3.022 30 50 EGEA Cc1nscc1/C(O)=N/[C@H](c1c(C)nn(C)c1C)C(F)(F)F 330779560 CTFJPHJKHSHJPN-LLVKDONJSA-N 332.351 3.410 30 50 EGEA N#Cc1cc2c(nc1NCc1nnc(C3CC3)n1C1CC1)CCCC2 127041452 QOWZNFJWOBDDBH-UHFFFAOYSA-N 334.427 3.248 30 50 EGEA Cc1nnc(Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c(C#N)c1C 131746386 BMXUNXHRRMTUSL-CQSZACIVSA-N 341.390 3.439 30 50 EGEA C=CCOC(=O)[C@@]12[C@H]3[C@H]4[C@@H]5[C@H]6[C@@H]7[C@@H]8C[C@H]([C@@H]9[C@@H]8[C@H]6[C@H]4[C@@H]91)[C@@H]2[C@@H]1C[C@H]7[C@H]5[C@@H]13 257357271 MXXJXNBNZOAERM-NGQCBLTKSA-N 346.470 3.094 30 50 EGEA C[C@H](OCC(F)(F)F)c1noc(-c2ccccc2OCC#N)n1 896613659 SCPLMPZWWYYWTK-VIFPVBQESA-N 327.262 3.279 30 50 EGEA CC(C)(C#N)c1ccccc1CN1CCC[C@@H](c2cc[nH]c(=N)n2)C1 366883299 LUXFIUFSPOLOBL-MRXNPFEDSA-N 335.455 3.070 30 50 EGEA C=CCN[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)O 6293464 UZLRNQCFQBIUIM-KRWDZBQOSA-N 340.379 3.036 30 50 EGEA CC[C@H]1CN(C(=O)c2ccc(-c3ccc(C#N)cc3C)cc2)CCN1 584885255 XHERKTIYEFXYPQ-IBGZPJMESA-N 333.435 3.358 30 50 EGEA O=[N+]([O-])c1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 255295 ATHCXGFJQKMRRF-VCHYOVAHSA-N 339.380 3.361 30 50 EGEA N/C(=N\OC(=O)c1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 18250225 WSRPTFHJKXRCMS-UHFFFAOYSA-N 335.319 3.225 30 50 EGEA COc1cccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)c1 19791033 USULRIAYAYZDBJ-PXLXIMEGSA-N 337.467 3.464 30 50 EGEA CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(CC#N)cc1Cl 408519798 AIDUMQIPYKTBNY-UHFFFAOYSA-N 337.807 3.259 30 50 EGEA Cc1cccc(CN=C2NC[C@@H]3CC[C@@H](C)CN23)c1Br 2325864025 DPGDXNWETWWYLC-RISCZKNCSA-N 336.277 3.317 30 50 EGEA CCN(C(=O)c1cccc(C#CC(C)(C)O)c1)[C@@H]1CCOC(C)(C)C1 65383682 OUKXRQHTSBZESP-GOSISDBHSA-N 343.467 3.229 30 50 EGEA C=C(C)CNC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 157361150 MHHPSSFCOVMMLI-UHFFFAOYSA-N 344.436 3.358 30 50 EGEA O=C1CCC(c2ccccc2)=C1CC(=O)N1Cc2ccccc2[C@H](O)C1 82099317 SBJPBGUCBBISMD-OAQYLSRUSA-N 347.414 3.269 30 50 EGEA N#Cc1cccc(-c2cn([C@H](CO)Cc3ccc(Cl)cc3)nn2)c1 91321817 VTAUKPMOTQCTDC-KRWDZBQOSA-N 338.798 3.246 30 50 EGEA C=C[C@@](C)(CCOC)C(=O)N1CCC2(CC1)OCCc1ccsc12 353460831 QSUIAZPBIUSSHK-SFHVURJKSA-N 349.496 3.367 30 50 EGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(C)ccc1C 28043 ZHOHMMJNLJRHNA-INIZCTEOSA-N 341.407 3.158 30 50 EGEA CC[C@@H](Oc1ccccc1)C(=O)O/N=C(\N)c1ccc(Cl)cc1 4986155 DXPGXQMYLVFOBN-OAHLLOKOSA-N 332.787 3.361 30 50 EGEA N#Cc1cccc2c1CC[C@H]2NC(=O)[C@@H](O)c1ccc(Cl)cc1 1875355866 CQAWHXDTEBOBCP-SJORKVTESA-N 326.783 3.049 30 50 EGEA C#CCCC1(CCC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)N=N1 952881015 NJCDUEKHGLWDIL-DLBZAZTESA-N 325.412 3.379 30 50 EGEA C[C@@H](NCCCC1(C#N)CCOCC1)c1ccc(-n2cncn2)cc1 281932387 IDRMVNWINYLDHT-MRXNPFEDSA-N 339.443 3.018 30 50 EGEA CN(C)c1ccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)cc1 5823344 ZVQBTCCFXXBAFP-YBFXNURJSA-N 341.415 3.321 30 50 EGEA C[n+]1cccc(/C=N/Nc2nc(Cl)c(C#N)c(Cl)c2Cl)c1 4458813 PLJPATNATLIKFV-NGYBGAFCSA-N 341.609 3.184 30 50 EGEA CN(CCc1ccccn1)c1ncccc1CNc1ncccc1C#N 67983561 APSOFSXGPSOPKO-UHFFFAOYSA-N 344.422 3.034 30 50 EGEA OC(=Nc1ccc(F)c(C2CC2)c1)N[C@@H]1CCO[C@]2(CCOC2)C1 328588700 VLQQLUWMYXIZLY-RDTXWAMCSA-N 334.391 3.176 30 50 EGEA N#Cc1cnc(N2CC[C@@H](n3cnc4c3CCCC4)C2)c(Cl)c1 299739592 QLWPWMKTKCUUHS-CYBMUJFWSA-N 327.819 3.133 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H]2[C@@H]3Cc4c(Cl)cccc4[C@@H]32)N=N1 952881686 QSKZNQNQRPYWCD-XOKHGSTOSA-N 327.815 3.450 30 50 EGEA C=C1CC(c2noc([C@@]3(C#N)CCCN(C(=O)OC(C)(C)C)C3)n2)C1 1875291385 XJMKKGHDORPAHY-GOSISDBHSA-N 344.415 3.295 30 50 EGEA C#Cc1cc(F)c(NCC(=O)Nc2cc(OC)ccc2OC)c(F)c1 170616343 XBPFFWURXAGLOU-UHFFFAOYSA-N 346.333 3.014 30 50 EGEA CCOC(=O)C1=C(C)N(CC#N)C(=O)C[C@H]1c1ccc(Cl)cc1 1397990 AKNGXSQGXQAXKN-AWEZNQCLSA-N 332.787 3.017 30 50 EGEA Cc1c(NC(=O)c2cc(F)cc(C#N)c2)cccc1-c1nncn1C 826768260 WHXGTQNSIGQMDQ-UHFFFAOYSA-N 335.342 3.054 30 50 EGEA C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@@H](OC(=O)/C(=C\C)CO)[C@@H]12 1772820343 LQAWDKQOLJURMN-CMERNDRVSA-N 346.423 3.011 30 50 EGEA CC(C)CCN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 13655659 LIIGAPIRNMTDCJ-UHFFFAOYSA-N 327.453 3.368 30 50 EGEA CC(C)c1ccc([C@@H](C)NCc2cc(O)n3ncc(C#N)c3n2)cc1 2325771850 VWQZZRXGWWYSOV-CYBMUJFWSA-N 335.411 3.281 30 50 EGEA CC(C)c1cccc([C@@H](C)NCc2cc(O)n3ncc(C#N)c3n2)c1 2325771857 WIXXADURLYRWHG-CYBMUJFWSA-N 335.411 3.281 30 50 EGEA CCOC(=O)c1c(N)c(C#N)c(C)n1-c1ccc(Br)cc1 237372 LEWJTAGJSRHAMP-UHFFFAOYSA-N 348.200 3.179 30 50 EGEA C#CCCC1(CCC(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)N=N1 952881110 KVSGNKHROXEYOI-FUHWJXTLSA-N 325.412 3.379 30 50 EGEA N#Cc1cnc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c(F)c1 413154996 BHUGUXSKBHBMJL-UHFFFAOYSA-N 339.296 3.218 30 50 EGEA N#Cc1ccc(N2CCCN(c3cccnn3)CC2)cc1C(F)(F)F 265834751 QVHWOMHJDJJZBI-UHFFFAOYSA-N 347.344 3.084 30 50 EGEA C#CCCC1(CCNC(=O)Cc2coc3c(OC)cccc23)N=N1 2325891430 GETRCQYXJFKDGC-UHFFFAOYSA-N 325.368 3.066 30 50 EGEA CN(C)c1cc(N=C(O)N2CCC[C@@](C)(c3ccccc3)C2)ncn1 329792808 VHDUAMNLGVWVOP-LJQANCHMSA-N 339.443 3.142 30 50 EGEA CCOc1ccc(C[N+]2C(=O)C(=NO)c3cc(C)ccc32)cc1OC 343516875 GMQMWGMRKUSJQM-UHFFFAOYSA-N 340.379 3.093 30 50 EGEA C#CCCC1(CCC(=O)NC2(c3cccc(F)c3)CCOCC2)N=N1 952879217 BUORIKLHKXJOLA-UHFFFAOYSA-N 343.402 3.303 30 50 EGEA Cc1cccc(N2CCC(NCc3cc(C#CCO)cs3)CC2)c1 952987935 KOZUSKRGFZHQTL-UHFFFAOYSA-N 340.492 3.159 30 50 EGEA C=CCN(C)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 119101322 MAPROKNCXNUAOZ-CQSZACIVSA-N 338.411 3.222 30 50 EGEA Cc1ccc(N2CCCN(c3c(Cl)cccc3C#N)CC2)nn1 253432036 INJWVSACDOARKG-UHFFFAOYSA-N 327.819 3.027 30 50 EGEA C[C@@H](OC(=O)C[C@H](NC(N)=O)c1ccccc1)c1ccc(C#N)s1 2325874176 COKGIHBXOOQDJT-RISCZKNCSA-N 343.408 3.024 30 50 EGEA CC1=NN(c2ccccc2)C(=O)[C@H]1C=C1C(=O)c2ccccc2C1=O 447696 VAFQYLOIORCNPM-INIZCTEOSA-N 330.343 3.031 30 50 EGEA CC1(C)CC(=O)C(=C(/C=C/N2CCOCC2)c2ccccc2)C(=O)C1 25665145 VEHUPPHGDRUBJS-CMDGGOBGSA-N 339.435 3.244 30 50 EGEA Cc1cc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)nn1[C@@H](C)C1CC1 329950523 MJPULILJEPMJPW-YCRPNKLZSA-N 348.450 3.344 30 50 EGEA C=C(C)CNC(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 157400733 AGORAFFQLZBSGU-UHFFFAOYSA-N 344.436 3.358 30 50 EGEA C=CCNCC[C@@H]1CCC(=O)N1Cc1ccccc1C(F)(F)F 14955598 MAXAYSPJHNQPDJ-AWEZNQCLSA-N 326.362 3.362 30 50 EGEA Oc1ccc(Cl)cc1[C@@H](C#Cc1ccccc1)N1CCOCC1 19770599 AEMGXLDTHKNMOY-GOSISDBHSA-N 327.811 3.471 30 50 EGEA C#CCOc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl 2122566 DVOODWOZJVJKQR-UHFFFAOYSA-N 341.194 3.442 30 50 EGEA in-vitro COc1cc(C(=O)Nc2ccc(/C(C)=N/O)cc2)cc(OC)c1OC 4729217 HVUBBUCBARPIJM-RGVLZGJSSA-N 344.367 3.163 30 50 EGEA CC1(C)CC(=O)C(=CNC2CCN(Cc3ccccc3)CC2)C(=O)C1 100280090 NMVVTWKHYLJXTJ-UHFFFAOYSA-N 340.467 3.083 30 50 EGEA N#Cc1c(N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)sc2c1CCCC2 100729705 ODVXWYOVAPRVBO-KUDNYVPYSA-N 338.432 3.200 30 50 EGEA Cc1noc([C@H](/N=C(/O)c2cc3ccccn3c2)C2CCOCC2)n1 328611815 MSGBBMSQCGVQME-MRXNPFEDSA-N 340.383 3.103 30 50 EGEA N#Cc1c(F)cccc1C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 368798720 SSROTCDFVBJJOU-FQEVSTJZSA-N 336.366 3.359 30 50 EGEA N#Cc1cccc(N2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)n1 71735744 GZVGJBDORPVASG-LJQANCHMSA-N 343.377 3.053 30 50 EGEA Cc1ccc(NC(=O)N[C@H](C)CC#N)cc1OCC1CCOCC1 160922963 DQDSULLKTUSNPG-CQSZACIVSA-N 331.416 3.224 30 50 EGEA CC(=O)[C@@H]1CC(=O)[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C 254393683 QQFLSXLNHSKYDE-ZOLGCQAOSA-N 342.435 3.082 30 50 EGEA C[C@H](NC(=O)c1cc(F)cc(C#N)c1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 826768244 PANVTSUZCMOVBW-FORGLYIRSA-N 342.414 3.147 30 50 EGEA Cn1ncc2c1CCCN(c1ccc(C#N)c(Br)c1F)C2 952877398 PRIPNSCCLKRRDA-UHFFFAOYSA-N 349.207 3.146 30 50 EGEA CC1(C)CN(c2ccnc(C#N)n2)[C@H]1c1nccn1-c1cccc(F)c1 952892484 DGYCTTRXFBLIQV-KRWDZBQOSA-N 348.385 3.261 30 50 EGEA C=CCOc1ccc(C2N3CC4(CC)CN2CC(CC)(C3)C4=O)cc1 19320464 BMOKKLQWGWEQDJ-UHFFFAOYSA-N 340.467 3.257 30 50 EGEA OC(CCN1CCC[C@@H]2CCC[C@@H]21)=N/C(O)=N/CCC(F)(F)F 328600083 VLWHLJRDBFDNDN-RYUDHWBXSA-N 335.370 3.464 30 50 EGEA N#CC1(CCCN2CC[C@H](Oc3cccc(F)c3)C2)CCOCC1 252490438 KTLDMWVWJZGKAU-SFHVURJKSA-N 332.419 3.379 30 50 EGEA C=CCNC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 2485416 RZRLSRJCWQRCFF-UHFFFAOYSA-N 328.322 3.250 30 50 EGEA Cc1ccc(S(=O)(=O)N(CCC#N)CCc2ccccc2)cc1 2868024 PYDBUAQWTIJUPG-UHFFFAOYSA-N 328.437 3.142 30 50 EGEA Cc1ccc(C(=O)[C@@]2(C)N(O)[C@H](C)C(c3cccs3)=[N+]2[O-])cc1 4314742 SWEZWYGQZZMOHC-PXAZEXFGSA-N 330.409 3.048 30 50 EGEA C=C(C)COc1ccccc1C(=O)N(Cc1nccn1C)C1CC1 55343974 PMDXFJJXCAXOLN-UHFFFAOYSA-N 325.412 3.180 30 50 EGEA CCC[C@H]1CCc2nc(NC(=O)Cc3noc(C)c3C#N)sc2C1 331758576 BJUNLVGQDDMASN-NSHDSACASA-N 344.440 3.397 30 50 EGEA Cn1cc2c(n1)CCC[C@@H]2/N=C(/O)c1cccc(/C(O)=N/C2CC2)c1 328678709 MOZICALAFDAQNN-INIZCTEOSA-N 338.411 3.269 30 50 EGEA COCc1cc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)ccc1OC 71764983 CDLVRJMBYXDXPL-UHFFFAOYSA-N 334.379 3.353 30 50 EGEA O=C(CCOCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)F 791572211 DRDQTJVRTCTRHK-UHFFFAOYSA-N 336.150 3.034 30 50 EGEA COc1ccc(-c2nnc(S)n2/N=C/c2sccc2C)cc1 1241359 FOQNPVOBKUGBEX-CXUHLZMHSA-N 330.438 3.495 30 50 EGEA N/C(=N\OC(=O)CC(c1ccccc1)c1ccccc1)c1cccnc1 13598894 GMSUQDVQSOPETG-UHFFFAOYSA-N 345.402 3.467 30 50 EGEA Cc1cc(Cl)c2ncc(C#N)c(NCCc3nc(C)no3)c2c1 225777874 QCJZMJGVGXBKCF-UHFFFAOYSA-N 327.775 3.414 30 50 EGEA C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nccc(-c2ccc(OC)cc2)n1 906020976 AFYWMCKDBOFIFR-NVXWUHKLSA-N 339.395 3.072 30 50 EGEA Cc1c(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)cnn1C(C)(C)C 328588189 YVRNSNSBFAWNHL-LPHOPBHVSA-N 344.459 3.014 30 50 EGEA N#Cc1ccc(Cn2cc(-c3csc(C4CC4)n3)nn2)c(F)c1 887390387 JAYGHEDTCYEMEB-UHFFFAOYSA-N 325.372 3.338 30 50 EGEA CCOc1cccc(/C=N\N2CCN(c3ccc(C)cc3)CC2)c1O 15685357 BCYNWCRXOAVCPB-QNGOZBTKSA-N 339.439 3.255 30 50 EGEA CCn1cc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(C)n1 6490227 DSPYHEDKEIXPKY-BQYQJAHWSA-N 330.384 3.133 30 50 EGEA Cc1cncc(/C=C/C(O)=N/C[C@@H](CO)Cc2ccncc2Cl)c1 328589959 OHYBXTVKAMMULN-FAAWYNLUSA-N 345.830 3.259 30 50 EGEA Cn1nc([C@H]2CCCOC2)cc1N=C(O)c1ccnn1C1CCCC1 329869462 YVYLLRHYRYJGJP-ZDUSSCGKSA-N 343.431 3.262 30 50 EGEA Cc1sc(N)nc1-c1cc(-c2cc(F)ccc2F)c(C#N)c(N)n1 71479613 ILDWTXBDXTTWJQ-UHFFFAOYSA-N 343.362 3.495 30 50 EGEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1NC(=O)OC(C)(C)C 199486920 KNGHGCKCRJMBOZ-UHFFFAOYSA-N 334.225 3.036 30 50 EGEA C=CC(C)(C)C(=O)NCC(=O)Nc1ccc(Br)cc1C 294454870 TVCOOUQBBIMCDM-UHFFFAOYSA-N 339.233 3.024 30 50 EGEA Cn1c(/C=N/Nc2ccc(C(=O)O)cc2)nc2ccc(Cl)cc21 1875254467 UMBZGWHKRBKAIH-GIJQJNRQSA-N 328.759 3.371 30 50 EGEA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 368272180 LJXCVTPNVBKFJQ-CYBMUJFWSA-N 334.423 3.318 30 50 EGEA CCc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1 124007 QUYKMFZJFSOBCB-SFHVURJKSA-N 325.408 3.390 30 50 EGEA C=CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2)nc1C 2693429 VHUJMINFUKKYKZ-UHFFFAOYSA-N 332.381 3.055 30 50 EGEA OCCOCCOCCOCCCCCCCCCCCS 6620298 FASSFROSROBIBE-UHFFFAOYSA-N 336.538 3.469 30 50 EGEA in-vitro C=C(C)COc1cccc(C(=O)N2CC(N3CCCC[C@H]3C)C2)c1 55036751 BDAQQVLAQZQZGU-MRXNPFEDSA-N 328.456 3.340 30 50 EGEA N#Cc1nc(-c2ccccc2Cl)oc1NCCCN1CCOCC1 20132586 KIOMSTTUBSHRPL-UHFFFAOYSA-N 346.818 3.001 30 50 EGEA Cc1nc(C#N)c(N2CCC(c3nc(-c4ccccc4)no3)CC2)o1 32593950 WHTXIPBREJCHLU-UHFFFAOYSA-N 335.367 3.289 30 50 EGEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1 4913038 JKPSGLNFOWUWSE-JTQLQIEISA-N 348.786 3.495 30 50 EGEA N#Cc1ccc(F)c(CN2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1 340237588 OSIDDQSXQZSXKS-KBXCAEBGSA-N 332.325 3.283 30 50 EGEA COc1ccc(CN2CCC(C(=O)Nc3ccccc3)CC2)cc1C#N 179188234 ODCRSUHXQXQIIX-UHFFFAOYSA-N 349.434 3.418 30 50 EGEA C#CCCC1(CCC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)N=N1 952881256 LBEOLLMYWGSLHE-HNNXBMFYSA-N 342.418 3.124 30 50 EGEA NC(N)=N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 6863673 MOQAUVVDCLUWER-DNTJNYDQSA-N 337.210 3.180 30 50 EGEA CC(=O)C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1 450242 IHILZCUTYQDRNT-GFCCVEGCSA-N 334.784 3.286 30 50 EGEA CCCCCCCNS(=O)(=O)c1ccc(OC)c2ncccc12 2191671 AXUHRNRTIMFGCJ-UHFFFAOYSA-N 336.457 3.492 30 50 EGEA C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)[C@H](C)CC(=O)O 390834866 JLKVYKGJSWVYPZ-SFBSIPHCSA-N 338.320 3.038 30 50 EGEA N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCC2 173703 OMXAWDLXQJAZRU-UHFFFAOYSA-N 327.434 3.235 30 50 EGEA C[C@@H]1C[C@H](/C(O)=N/[C@H](C)c2ccc(-n3ccnn3)cc2)CCC1=O 328990945 DBVNJJNHXFLRMK-UMVBOHGHSA-N 326.400 3.290 30 50 EGEA N#C[C@@H]1CN(CCc2nc(O)c3ccccc3n2)C[C@H]1c1ccccc1 368351644 JCPWMSOSWMLGMW-AEFFLSMTSA-N 344.418 3.117 30 50 EGEA C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC 97756893 ONXCTKJXSGEPHY-LJQANCHMSA-N 349.386 3.090 30 50 EGEA CCCCCCCCCCCNC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 239439320 ZTMVRTJMXOQSMD-WCXIOVBPSA-N 337.460 3.288 30 50 EGEA CC(C)(Oc1ccc(Cl)cc1)/C(N)=N/OC(=O)c1cccnc1 5379362 JYGRNSMBPSJPFJ-UHFFFAOYSA-N 333.775 3.022 30 50 EGEA C=CCOc1cccc(NC(=O)c2cn(-c3cccc(C)c3)nn2)c1 154780917 FWGYYRBZPZENEG-UHFFFAOYSA-N 334.379 3.393 30 50 EGEA N#Cc1ccc(CCC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 331593156 NBFWGXNMAWDZGL-QRVBRYPASA-N 326.440 3.033 30 50 EGEA C=C(C)COc1ccc(C(=O)Nc2ccccc2-c2nn[nH]n2)cc1 142645970 MPDIVWAICMFEPI-UHFFFAOYSA-N 335.367 3.074 30 50 EGEA N#Cc1c(Cl)cc(Cl)cc1NS(=O)(=O)CC(F)(F)F 1875339495 MGLHNOXIFWUAGA-UHFFFAOYSA-N 333.118 3.169 30 50 EGEA C=CC[C@H](CC)NC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 281402204 OZEHGSXALCENQU-ZDUSSCGKSA-N 347.440 3.358 30 50 EGEA CC1(C)CO[C@H](c2ccccc2Cl)CN1c1cnc(C#N)cn1 193014715 MDROHPRDVLOWKN-HNNXBMFYSA-N 328.803 3.358 30 50 EGEA C=CCOC(=O)c1sc(NC(=O)/C=C/c2ccccc2)nc1C 2693425 QTNWATYVJZKKOV-MDZDMXLPSA-N 328.393 3.446 30 50 EGEA CCCCCCCCCCCNC(=O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225632547 ZTMVRTJMXOQSMD-NCOADZHNSA-N 337.460 3.288 30 50 EGEA C[C@@H](C#N)CN(C)C(=O)c1csc(Nc2cc(F)cc(F)c2)n1 294818539 KIABMBJICCXVPO-VIFPVBQESA-N 336.367 3.397 30 50 EGEA CC(C)(O)C#Cc1cccc(C(=O)N2CC[C@@H]2c2cccs2)c1 952868565 AKELHVWLJJANJC-MRXNPFEDSA-N 325.433 3.458 30 50 EGEA C[C@H]1CCCN(CCOc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 303245073 LCBBPGYSXWRWGZ-INIZCTEOSA-N 345.292 3.097 30 50 EGEA C=CCOc1ccccc1CN(CC)C(=O)Cc1c(C)noc1C 55401659 CBMXXOQJKZLPIX-UHFFFAOYSA-N 328.412 3.447 30 50 EGEA C[C@@]1(Br)C[C@@H]1C(=O)NC1(c2ccc(C#N)cc2)CCC1 862144364 ZOVLTUYRCGSTNY-UKRRQHHQSA-N 333.229 3.227 30 50 EGEA C=CCC[C@@H](CN(C)Cc1cccnc1)Oc1ccc(Cl)nn1 67726717 BMCLETVXHVRQPI-HNNXBMFYSA-N 332.835 3.371 30 50 EGEA N#Cc1cc2c(N)c(C(=O)c3ccc(Cl)cc3)sc2nc1N 21964241 UPSLVWISNJZPLH-UHFFFAOYSA-N 328.784 3.217 30 50 EGEA COc1ccc(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)cc1 170008069 IFUQVRNZRQDGNL-UHFFFAOYSA-N 338.212 3.225 30 50 EGEA Cc1ncc(N=C(O)[C@H](C)Cc2c(C)nn(C)c2C)c(C2CC2)n1 328754058 DNDIVLHAWJDUDC-SNVBAGLBSA-N 327.432 3.480 30 50 EGEA CCC[C@@H]1CCc2nc(NC(=O)Cc3noc(C)c3C#N)sc2C1 331758575 BJUNLVGQDDMASN-LLVKDONJSA-N 344.440 3.397 30 50 EGEA CN1CCC(N(Cc2ccncc2)C(=O)Nc2cccc(C#N)c2)CC1 72152369 OAANBRYSMQBJMB-UHFFFAOYSA-N 349.438 3.082 30 50 EGEA N#Cc1cccc(N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)n1 77488763 HSWMTBCUVHJQMY-FQEVSTJZSA-N 338.455 3.105 30 50 EGEA CC(=O)OC[C@H]1[C@@H]2[C@@H]3CCC4=C3[C@@H]3[C@H](C4=O)[C@@H]4[C@@H]5CCC[C@@H]5[C@@H]1[C@H]4[C@H]23 257346385 ACNQABZCVSHDBM-MHQFFHBUSA-N 338.447 3.239 30 50 EGEA COc1ccc(N2CCC(Nc3nc(F)ccc3C#N)CC2)cc1 1776005944 QXKYRKDBIICHEZ-UHFFFAOYSA-N 326.375 3.182 30 50 EGEA C=C(Cl)CS(=O)(=O)NC[C@@H](C)c1nc2ccccc2s1 170608428 IPIMCJXGQRYAAL-SECBINFHSA-N 330.862 3.072 30 50 EGEA C=CCC1(OCc2ccccc2)CCN(C(=O)c2nccn2C)CC1 1506405971 DAZGQCTWJNASOP-UHFFFAOYSA-N 339.439 3.188 30 50 EGEA Cc1ccccc1C[C@H]1S/C(=N/N=C/c2ccccc2F)NC1=O 5061110 WCLQZOYURLVRTC-MBTVCVBTSA-N 341.411 3.298 30 50 EGEA Oc1cccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c1 13582113 FYTPQPDGPHCLLX-DEDYPNTBSA-N 329.831 3.197 30 50 EGEA CCn1c(NC(=O)[C@H](OC)c2ccccc2)nc2cc(C#N)ccc21 131934840 XTROYPZCGMJDJL-QGZVFWFLSA-N 334.379 3.254 30 50 EGEA N#Cc1cc2c(nc1SCC(=O)Nc1ccc(F)cc1)CCC2 103606 AHOHXJLCXPQANM-UHFFFAOYSA-N 327.384 3.312 30 50 EGEA CC(C)(C#N)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 225703617 HXTFIYXTNVMMCT-UHFFFAOYSA-N 325.324 3.354 30 50 EGEA Cc1nn(C)c2nccc(OCc3ccc(C#N)cc3OC(F)F)c12 352227306 MCSUTYRLZVJVGZ-UHFFFAOYSA-N 344.321 3.329 30 50 EGEA CCCNC(=O)c1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1Cl 96179621 XIEZFYXRNJUBAW-GFCCVEGCSA-N 348.834 3.247 30 50 EGEA CNc1cc([N+](=O)[O-])ccc1N/C=C\C(=O)c1ccc2c(c1)OCO2 97840853 AIUHEKMBOKJZTM-SREVYHEPSA-N 341.323 3.174 30 50 EGEA CN(Cc1cc(-c2ccccc2)n[nH]1)c1nnc(C2CC2)cc1C#N 1875310460 QFZSNRRFYMMOCU-UHFFFAOYSA-N 330.395 3.252 30 50 EGEA CCc1nnc([C@H]2CCCN(Cc3ccc(C#N)cc3F)[C@H]2C)o1 952853002 VEFNHULIGFYASI-WFASDCNBSA-N 328.391 3.411 30 50 EGEA CC(C)CCc1noc([C@@]2(C#N)CCCN(C(=O)OC(C)(C)C)C2)n1 1875290748 BWBLOIDLWRAMSH-GOSISDBHSA-N 348.447 3.450 30 50 EGEA Cc1ccccc1C[C@H](C)/N=C(/O)c1cn(C)nc1-c1cnn(C)c1 328588860 XVJRPWKXDGWFOQ-AWEZNQCLSA-N 337.427 3.065 30 50 EGEA COCc1cc(C)nc(SCC(=O)Oc2ccccc2)c1C#N 210866 RXTPKFVAMSEKLT-UHFFFAOYSA-N 328.393 3.106 30 50 EGEA N#Cc1ccccc1C(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1 67803627 XWGIXOLNDSGNPH-UHFFFAOYSA-N 346.365 3.286 30 50 EGEA N#Cc1c(-c2cnc(N3CCCC3)nc2)cc(-c2ccsc2)nc1N 67586929 QKNHUSLOQQZGTP-UHFFFAOYSA-N 348.435 3.321 30 50 EGEA N#Cc1c(-c2cnc(N)nc2)cc(-c2ccc3ccccc3c2)nc1N 67982104 FAWJDVLOQJOUOD-UHFFFAOYSA-N 338.374 3.395 30 50 EGEA C=CCOc1ccccc1NC(=O)N[C@@H](C)c1nncn1CCC 97551212 ISRLBBWLOSIZAI-ZDUSSCGKSA-N 329.404 3.136 30 50 EGEA COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccccc2F)c1 548645 FALARGXHXHDVOU-KRWDZBQOSA-N 341.338 3.323 30 50 EGEA C#CCN(CC=C)C(=O)CCC(=O)Nc1ccccc1C(C)(C)C 55227701 LDLUABAMAZVIKC-UHFFFAOYSA-N 326.440 3.351 30 50 EGEA O=C(O)C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O 100089888 YHPXYKMSQIMFLO-DNZUHHBVSA-N 326.377 3.297 30 50 EGEA CC(=O)/C(=C(/C)O)[C@@H]1c2ccccc2O[C@H](C(F)(F)F)[C@H]1[N+](=O)[O-] 12362089 OHPUZUJQIHXLGR-MGYQHCTBSA-N 345.273 3.160 30 50 EGEA Cc1noc([C@H]2CCCN(/C(O)=N/[C@@H]3C[C@H]3c3ccccc3F)C2)n1 328587596 CSXPQVZVIQIOGK-DUVNUKRYSA-N 344.390 3.167 30 50 EGEA CC1(C)C[C@H](NC2CCN(Cc3ccc(C#N)cc3)CC2)C(C)(C)O1 181261459 BUYGMPVHQXXHMU-IBGZPJMESA-N 341.499 3.458 30 50 EGEA Cc1cc(C#N)ccc1-c1cccc(C(=O)N[C@@H]2CN3CCC2CC3)c1 299782078 GQRABFBRVLWIRE-OAQYLSRUSA-N 345.446 3.358 30 50 EGEA COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2sccc2C#N)c1 190890986 YJFMYJSULPWRCJ-TZMCWYRMSA-N 328.393 3.379 30 50 EGEA CC(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C#N)c1 243995436 SFFFNXQRYTUGDE-UHFFFAOYSA-N 345.761 3.342 30 50 EGEA C#CCCC1(CCC(=O)Nc2nc(CN(CC)CC)cs2)N=N1 2325892294 ICNDLTWYZRFBHE-UHFFFAOYSA-N 333.461 3.279 30 50 EGEA CC[C@@H](C(=O)Nc1sc(C(N)=O)c(C)c1C#N)c1ccccc1 4750065 PLRRVGLBMOQTOF-GFCCVEGCSA-N 327.409 3.159 30 50 EGEA C=CCc1cc(C)ccc1OCCOCCN1C[C@@H](C)O[C@H](C)C1 20167265 PIPKRWKAGGDCBT-QZTJIDSGSA-N 333.472 3.228 30 50 EGEA CO[C@@H]1Cc2ccccc2N(C(=O)c2cc(C#N)ccc2Cl)C1 367641685 FBZFKBLOCMBCNO-CQSZACIVSA-N 326.783 3.430 30 50 EGEA Cc1c[nH]nc1C1CCN(C(=O)Nc2ccc(C#N)cc2F)CC1 96131158 VFOLUCDHUNPJGL-UHFFFAOYSA-N 327.363 3.140 30 50 EGEA CC[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1c(C)noc1C 182442028 LHMUZZVISSQJOJ-HNNXBMFYSA-N 346.818 3.496 30 50 EGEA C(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1cccnc1 19773225 NYLAUQJTBURUOI-XQNSMLJCSA-N 330.435 3.387 30 50 EGEA Cc1cnn([C@@H]2CCCN(/C(O)=N/[C@H]3CCCC34CCOCC4)C2)c1 328586314 XOUBMPILIWVZKB-SJORKVTESA-N 346.475 3.092 30 50 EGEA CC(=O)N[C@@H]1C(=O)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253499481 IGQWGSCTFRUHTN-WGLMPOJLSA-N 343.467 3.202 30 50 EGEA biogenic COC[C@@H](NC(=O)c1ccc2ncsc2c1)c1cccc(C#N)c1 2325817371 MKPKMMWWPGOVQS-MRXNPFEDSA-N 337.404 3.285 30 50 EGEA CCc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)s1 108065 TVFAUPFMXXIZAH-QGZVFWFLSA-N 331.437 3.451 30 50 EGEA COc1ccc(/C(N)=N/OC(=O)c2ccc(C)cc2Cl)cc1OC 4755425 FWSHRRLPYUHXRC-UHFFFAOYSA-N 348.786 3.143 30 50 EGEA CN(C)c1cc(N/C(O)=N/[C@@H]2CC(C)(C)Oc3ccccc32)ncn1 329443344 BWJLPHHMTUUXEQ-CYBMUJFWSA-N 341.415 3.171 30 50 EGEA N#C[C@H]1CN(c2ccnc3ccsc23)C[C@]12C(=O)Nc1ccccc12 253392186 BZSLHAAJZZPWSG-BUXKBTBVSA-N 346.415 3.146 30 50 EGEA Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCC[C@H](C)CC3)CC2)o1 194212331 BGAUPINWJJCLKZ-XJKSGUPXSA-N 344.459 3.156 30 50 EGEA C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccco1 4943680 PPDDYRBPFBITJE-UHFFFAOYSA-N 339.351 3.167 30 50 EGEA Cc1ccc(S(=O)(=O)OC[C@]2(C)C(=O)C[C@@]3(C(C)C)C[C@H]23)cc1 101082073 KAYDIWFMEXYNLW-BPQIPLTHSA-N 336.453 3.342 30 50 EGEA Cc1ccc(NC(=O)CC(=O)N(CC#Cc2ccccc2)C2CC2)cc1 55568845 LPPJUFAPPSPWDY-UHFFFAOYSA-N 346.430 3.366 30 50 EGEA CN(C(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C1CCCCC1 170004620 CWFSXEOQLCPEKK-UHFFFAOYSA-N 343.276 3.391 30 50 EGEA Cc1cc(N2CCC[C@H](N(C)Cc3ccccn3)CC2)c(C#N)c(C)n1 328648462 UPAYDRFSUFOZCK-IBGZPJMESA-N 349.482 3.456 30 50 EGEA C[C@H](c1ccccc1)N1CC[C@@H](N/C(O)=N/CC2(O)CCCCC2)C1 329034979 CBYVQJHACVZQAN-SJLPKXTDSA-N 345.487 3.021 30 50 EGEA C=CC[C@@]1(CO)CCCN(Cc2cnc(-c3cccs3)nc2)C1 91486666 HZPOBSGMCIWOGU-GOSISDBHSA-N 329.469 3.356 30 50 EGEA CCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)OC 97950602 BZVCUBJEPHSGJB-INIZCTEOSA-N 329.481 3.338 30 50 EGEA N#Cc1ccc(N2CCC(C(=O)NCC3(F)CCCC3)CC2)c(F)c1 1875255884 MEYFDXLXGKMSAU-UHFFFAOYSA-N 347.409 3.312 30 50 EGEA C=CCC1(C(=O)NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC1 1875280617 AZHXIZBFCJDPTB-UHFFFAOYSA-N 336.476 3.496 30 50 EGEA CC(=O)NCc1ccc([C@H]2CCCN2Cc2ccc(C#N)cc2F)o1 375139960 HIFAAPOZIYZHDV-GOSISDBHSA-N 341.386 3.264 30 50 EGEA C#CCn1cccc1C(=O)OCCCc1ccncc1Br 2325810098 NBWAHCDKHNKDQX-UHFFFAOYSA-N 347.212 3.068 30 50 EGEA C=CCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc(C)cc1 265304 ZIULRGTVJLLHDC-UHFFFAOYSA-N 331.393 3.075 30 50 EGEA CC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OC1CCCC1 1127036 IMHGJCRMFBJJBY-QGZVFWFLSA-N 330.453 3.390 30 50 EGEA COc1ccc(/C(C)=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4670513 LGQWOKSOBNUYCG-MHWRWJLKSA-N 330.300 3.348 30 50 EGEA C=CCN(CC=C)Cc1c(C)nc2ccc(C(=O)OC)cc2c1O 8714051 HPBKJBOTMCGNEI-UHFFFAOYSA-N 326.396 3.209 30 50 EGEA CC(C)Oc1ccc(N2C(=O)[C@@H]3CCCCCN3C2=O)cc1C#N 370356577 CCKJAXNVHAPGOI-HNNXBMFYSA-N 327.384 3.057 30 50 EGEA N#C[C@@H](NC(=O)c1ncncc1Cl)c1cccc(Cl)c1Cl 175213034 AHQZCQLZMRLOSJ-SNVBAGLBSA-N 341.585 3.431 30 50 EGEA N#Cc1cccc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)c1 426727498 NSLXWBSHHYUIBU-HXUWFJFHSA-N 345.446 3.197 30 50 EGEA O=S(=O)(c1ccccc1)[C@@H]1C[C@H]2C[C@H]1[C@]13O[C@@]21[C@H]1CC[C@H]3[C@H]2C[C@@H]21 257357106 MAUQNJAGWDVDED-ZSYRUWDMSA-N 342.460 3.052 30 50 EGEA C[C@@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1C[C@H]1OC(=O)C=C12 257357982 RBULKOMEEZXUGR-YXGYCTSJSA-N 340.419 3.159 30 50 EGEA CN(C)Cc1ccc([C@@H]2CCCN2Cc2ccc(C#CCO)cc2)cc1 1506427388 LDZYRRDQXAOGRQ-QHCPKHFHSA-N 348.490 3.429 30 50 EGEA C=CCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)n1CC=C 2495381 QXOGUJBLFGTMLN-UHFFFAOYSA-N 339.420 3.255 30 50 EGEA CC(C)(O)C#Cc1cccc(C(=O)NCc2ccc3c(c2)CCCO3)c1 65371839 PLGVYVROXBMDTE-UHFFFAOYSA-N 349.430 3.064 30 50 EGEA C=CCn1c(CN(C)Cc2cccnc2)nnc1SCC(=C)Cl 64110418 LBSSULIWIQYKLV-UHFFFAOYSA-N 349.891 3.336 30 50 EGEA COc1ccccc1C1CCN(Cc2cc(C#CCO)cs2)CC1 828644582 GKXVRERILFDCJT-UHFFFAOYSA-N 341.476 3.480 30 50 EGEA CC1(C)CN=C(N2CCN(c3c(Cl)cccc3C#N)CC2)S1 301732002 FIDZYRGGDVPXSP-UHFFFAOYSA-N 334.876 3.215 30 50 EGEA Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cccc(Br)c1 317569 LRVLKJXULXXBSU-UFWORHAWSA-N 344.216 3.330 30 50 EGEA Cc1ccc(/C(N)=N/OC(=O)COc2ccc(Cl)cc2C)cc1 4170175 WDFQICFFSZPSDX-UHFFFAOYSA-N 332.787 3.199 30 50 EGEA CCOc1cccc(-c2nnc(S)n2/N=C/c2ccc(C)o2)c1 5906928 IWCAGALLNNRXDG-LICLKQGHSA-N 328.397 3.416 30 50 EGEA C=CCN(CC=C)C(=O)c1cn(Cc2cccc3ccccc23)nn1 12000481 YWWGJESAVPDPBM-UHFFFAOYSA-N 332.407 3.294 30 50 EGEA CC(C)/N=C(/O)N1CCN=C(O)[C@H]1c1ccccc1Br 328586846 WUDFUXSEYUUCOC-GFCCVEGCSA-N 340.221 3.085 30 50 EGEA C=CCN(Cc1cccnc1)C(=O)[C@H](CC)Nc1cccc(OC)c1 65382576 CIJXWCQGAHQFNI-IBGZPJMESA-N 339.439 3.496 30 50 EGEA CC1(C#N)CCN(C(=O)NCc2ccccc2Br)CC1 272571586 ONZLWUBOVFKPOZ-UHFFFAOYSA-N 336.233 3.284 30 50 EGEA O=S(=O)(N/N=C/c1ccccc1)c1cc(Cl)ccc1Cl 289027 GLLORFNEBWDSLB-CXUHLZMHSA-N 329.208 3.306 30 50 EGEA C[C@H]1CC(NCc2ccccc2)=CC(=O)[C@H]1C(=O)NCc1ccccc1 100000760 GLBNMIOAGOTENI-KKSFZXQISA-N 348.446 3.202 30 50 EGEA N#CCCN(Cc1ccco1)C(=O)c1ccc2nc(S)oc2c1 118882973 OCCYHGYVSUQCDE-UHFFFAOYSA-N 327.365 3.266 30 50 EGEA CNc1snc(C)c1/C(O)=N/C[C@@H]1CC(c2ccc(C)cc2)=NO1 328586309 XBPTUKCPJPDLOB-ZDUSSCGKSA-N 344.440 3.299 30 50 EGEA N#Cc1ccccc1CN1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2 95357036 GNPZZDIGNSJZHT-FQEVSTJZSA-N 345.446 3.197 30 50 EGEA N#Cc1ccncc1C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 411060889 HYMZNIUFPNEXSC-QGZVFWFLSA-N 331.379 3.197 30 50 EGEA OCC[C@H](/N=C(/O)c1cc(F)c(Cl)cc1F)C1CCOCC1 330896539 LKKAFPVOIYMDQV-AWEZNQCLSA-N 333.762 3.100 30 50 EGEA C=CCN(C(=O)[C@H]1OCCO[C@H]1C)c1nc(-c2ccccc2)cs1 901348106 IUPUOIQXLFLOLU-BBRMVZONSA-N 344.436 3.133 30 50 EGEA O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccccc1)n1ncnc1N2 4435928 XHIGTUVIKQAZIQ-UGSOOPFHSA-N 332.363 3.287 30 50 EGEA CNC(=O)O[C@H]1C=CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O1 33815019 WAFJSVJRYUCSTB-UYAOXDASSA-N 337.375 3.406 30 50 EGEA C#CCCC1(CCC(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)O)N=N1 952876482 RXBDROWTACZLQF-HZPDHXFCSA-N 345.443 3.224 30 50 EGEA N#CCN(CC#N)C(=O)c1ccc(-n2ncc3ccccc32)c(Cl)c1 225418051 JAULSPIGPQFMKE-UHFFFAOYSA-N 349.781 3.168 30 50 EGEA C#CCCC1(CCC(=O)NCC2CC(OCc3ccccc3)C2)N=N1 2325892185 DEAOYVJGFUCPFU-UHFFFAOYSA-N 339.439 3.454 30 50 EGEA CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 447972 AOXGMTYWKUNEQY-MRXNPFEDSA-N 337.335 3.106 30 50 EGEA CCCN(CC#Cc1ccccc1)C(=O)c1c(Cl)cnn1CC 55090638 XIMBOETXGWDOPA-UHFFFAOYSA-N 329.831 3.460 30 50 EGEA Cc1cc(/C(O)=N/[C@H](c2c(C)nn(C)c2C)C(F)(F)F)cc(O)n1 330712237 QOOSGAZAQQEKFS-CYBMUJFWSA-N 342.321 3.054 30 50 EGEA N#Cc1cnc(Sc2nnc(-c3ccco3)n2-c2ccccc2)cn1 120942243 OILCSFDDQCMYCC-UHFFFAOYSA-N 346.375 3.340 30 50 EGEA N#Cc1cc(NC(=O)N2CCCCO2)ccc1OCC(F)(F)F 328589648 PCLOEHYMUXFUEQ-UHFFFAOYSA-N 329.278 3.059 30 50 EGEA Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCN(c2ccccc2F)C1 368392608 JGJKVSYTPWYDKE-OAHLLOKOSA-N 338.386 3.406 30 50 EGEA OCCC#Cc1ccc(CN2CCC[C@@H](Nc3ccccc3)C2)cc1 12430103 XICGIUUGZZBSOH-JOCHJYFZSA-N 334.463 3.497 30 50 EGEA C#CCCC1(CCC(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)N=N1 2325891973 RMXGELAYGZIDLX-KRWDZBQOSA-N 332.492 3.215 30 50 EGEA C=CCN(CC=C)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 293150 NUTRHPAZWXAZKY-UHFFFAOYSA-N 346.386 3.301 30 50 EGEA C=CCn1c2ccccc2c2nnc(S[C@H](C)C(=O)OCC)nc21 1117068 FDHNFOFKCHVNMZ-LLVKDONJSA-N 342.424 3.209 30 50 EGEA Cc1noc([C@@H](/N=C(/O)CCc2ccc(C)o2)C2CCOCC2)n1 328615196 YBCCAXVPPDHOOW-INIZCTEOSA-N 333.388 3.336 30 50 EGEA CC1CC(/N=C(/O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)C1 329116427 NIWGJPLIHRGQMF-UHFFFAOYSA-N 328.412 3.259 30 50 EGEA Cn1c([C@@H](C#N)C(=O)c2noc3c2CCCCC3)nc2ccccc21 158768251 CMWVBHMLTOFQJM-ZDUSSCGKSA-N 334.379 3.320 30 50 EGEA CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ncccc1C 534667082 YNALEIMDUIQCCT-AWEZNQCLSA-N 349.843 3.345 30 50 EGEA CCC/C(O)=N/C(C)(C)CC(=O)N1CCN(c2ccccc2)CC1 328589993 SONJJRTUOXCPRQ-UHFFFAOYSA-N 331.460 3.261 30 50 EGEA C[C@H](CN1CCCC1=O)/N=C(/O)N1CCC[C@@H]1/C=C/c1ccccc1 328587143 VHUKOPNKCUYLLJ-OFHUKCQUSA-N 341.455 3.089 30 50 EGEA Cc1nccnc1[C@@H](C)NCC1CCN(c2ccccc2C#N)CC1 364845113 FSIPCJSKLNOFDF-MRXNPFEDSA-N 335.455 3.224 30 50 EGEA CSc1nc2n(n1)[C@@H](c1ccccn1)C1=C(CC(C)(C)CC1=O)N2 13123865 KYGPMPOOLOOFDG-AWEZNQCLSA-N 341.440 3.053 30 50 EGEA CCOc1cc(C=C2Oc3ccc(C(=O)OC)cc3C2=O)ccc1O 1857530099 SFHGIKBNUCLDBR-UHFFFAOYSA-N 340.331 3.194 30 50 EGEA C#CCCC1(CCNC(=O)C[C@H](N)c2ccc(C(C)C)cc2)N=N1 2325900825 KPGNSMQQZKYWES-KRWDZBQOSA-N 326.444 3.282 30 50 EGEA CCCCOc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1 1884711 GARKNZMXLWQCII-NBVRZTHBSA-N 332.425 3.178 30 50 EGEA COc1cccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)c1 4173695 ILEQPDNBSMYVRQ-UHFFFAOYSA-N 348.402 3.494 30 50 EGEA N#Cc1ccc(C(F)(F)F)c(N2CCC(C3OCCO3)CC2)c1 123364894 GOWDWFXXYBFZPN-UHFFFAOYSA-N 326.318 3.166 30 50 EGEA C[C@@]12CC[C@@H]3C(Br)(Br)[C@]1(C#N)OC[C@]32C 164567543 VCBOOGSOARXIEU-QCLAVDOMSA-N 335.039 3.201 30 50 EGEA C#CCOc1ccccc1NC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 188133573 KJBWMRPYWURXRY-NVXWUHKLSA-N 338.411 3.010 30 50 EGEA Cc1sc(CCNC(=O)c2ccnc(C#N)c2)nc1-c1ccccc1 193335661 AVVGAJMZUKYFEC-UHFFFAOYSA-N 348.431 3.358 30 50 EGEA COc1ccc(C(=O)/C=C/Nc2ccc(C(=O)O)cc2)cc1OC 318124 LXTJSNKVQPOOKE-MDZDMXLPSA-N 327.336 3.211 30 50 EGEA C=CCc1ccc(OCCN2C(=O)c3ccccc3C2=O)c(OC)c1 5049788 RDJJJAAURHQGHE-UHFFFAOYSA-N 337.375 3.099 30 50 EGEA Cc1cccc(C[C@H]2S/C(=N\N=C\c3ccccc3F)NC2=O)c1 18209387 NXPZKOGKJUYCBP-MBTVCVBTSA-N 341.411 3.298 30 50 EGEA CC#CC(=O)N1CCC([C@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1 922929487 HPSGUVKCTPSNHT-QGZVFWFLSA-N 346.471 3.038 30 50 EGEA Cc1nn(CC(=O)Nc2sc3c(c2C#N)CCC3)c(C)c1Cl 4745649 YEJPAQCGKGHVKC-UHFFFAOYSA-N 334.832 3.214 30 50 EGEA COc1cccc(OC)c1C(=O)Nc1sc2c(c1C#N)CCC2 54243 MVXYSZHPBXAOFV-UHFFFAOYSA-N 328.393 3.378 30 50 EGEA COc1ccc(C/C(N)=N/OC(=O)c2ccc(C)cc2Cl)cc1 4674765 UYQRMCSFXYNNBA-UHFFFAOYSA-N 332.787 3.329 30 50 EGEA Nc1cc2c(cc1N=C(O)[C@H]1C[C@@]13CCOc1ccccc13)OCO2 328596225 XQPMMDISTGFTFN-CWTRNNRKSA-N 338.363 3.326 30 50 EGEA C=CC[C@]1(C(=O)O)CCCN(C(=O)CCCc2ccc(OC)cc2)C1 91474194 ORWCTPSETCLNPK-FQEVSTJZSA-N 345.439 3.287 30 50 EGEA CCN(CC)CC#CC[C@H](C(=O)c1ccccc1)C(=O)C(C)(C)OC 103402334 MBBZGOIEMWMOAS-GOSISDBHSA-N 343.467 3.215 30 50 EGEA O=C(O)C(F)(F)[C@](F)(N(C(F)(F)F)C(F)(F)F)C(F)(F)F 100912205 DFWIISOTHWLFTD-VKHMYHEASA-N 347.055 3.276 30 50 EGEA N#Cc1cccc(N2C[C@@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)n1 230185778 RJIGVWPTGKEXFQ-GJZGRUSLSA-N 333.313 3.284 30 50 EGEA N#Cc1cccnc1N1CCC(CO)(CCOc2ccccc2)CC1 67983562 XGXPKKHKSJIWGF-UHFFFAOYSA-N 337.423 3.001 30 50 EGEA C[C@@H]1COCCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 371323503 OJJDHSBYHWXOJL-HNNXBMFYSA-N 335.407 3.410 30 50 EGEA CC(C)=C1Oc2c(ccc3c2[C@H](c2cnn(C)c2C)CC(=O)O3)C1=O 217864938 RRKDJJGVQUFWKI-LBPRGKRZSA-N 338.363 3.039 30 50 EGEA biogenic CC(C)(C)c1cc(NC(=O)[C@@H]2CCOC2)n(-c2ccc(C#N)cc2)n1 241719950 QRAKFAYQDUEQLR-CQSZACIVSA-N 338.411 3.016 30 50 EGEA CCc1cc(N2CCC[C@H](Nc3cc(C)nc(C)c3C#N)C2)ncn1 160709553 CRMCMENVBLOBFG-INIZCTEOSA-N 336.443 3.003 30 50 EGEA N#Cc1ccccc1-c1ccc(CNC(=O)C2(C#N)CCOCC2)cc1 180712894 FNZTZDUMBFJQIL-UHFFFAOYSA-N 345.402 3.162 30 50 EGEA C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)/C(=C\CO)CC[C@@H]12 257356034 FIMYJWIQTVIDQB-ZUGYKUCZSA-N 328.452 3.184 30 50 EGEA C=C(C)CN1C(=O)[C@](O)(CC(=O)c2c(C)coc2C)c2ccccc21 6729389 XQSAJBJEGBHNLO-FQEVSTJZSA-N 339.391 3.280 30 50 EGEA C=CCN(Cc1ccccc1OCC)C(=O)c1cc(Cl)c[nH]c1=O 55108165 LSFHBHZCPGFBEH-UHFFFAOYSA-N 346.814 3.255 30 50 EGEA Cc1noc([C@@H](/N=C(/O)c2cc3ccccc3[nH]2)C2CCOCC2)n1 328608768 BFDUYKIOJHZOAM-INIZCTEOSA-N 340.383 3.332 30 50 EGEA N#Cc1cc2c(nc1NC(=O)[C@H]1CCc3ccccc3O1)CCCC2 333208072 ZFNFLWQBAKPLBC-GOSISDBHSA-N 333.391 3.164 30 50 EGEA CCC[C@@H]1C(C#N)(C#N)[C@@]2(C#N)C(=N)O[C@@]1(C)O[C@H]2c1ccccc1 239203279 SBKVXNYVGBVMGA-MFWIUYSUSA-N 334.379 3.441 30 50 EGEA CN(C)/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 13153406 MAXMQZLJTGNWNX-SDXDJHTJSA-N 340.807 3.176 30 50 EGEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cn(Cc2ccc(F)cc2)nn1 14953885 VCLNKPQQQZTESA-RHSMWYFYSA-N 340.402 3.201 30 50 EGEA CN1CC[C@@H](C/N=C(/O)c2ccc(F)c(F)c2)[C@@H]1c1cccnc1 328619082 FJTMOKFWMXULPS-YOEHRIQHSA-N 331.366 3.357 30 50 EGEA N#Cc1ccc([C@@H](NCC(F)(F)c2ccc(Cl)cc2)C(N)=O)cc1 390834699 QYQDCSRKPWNRRL-OAHLLOKOSA-N 349.768 3.120 30 50 EGEA C=CCC[C@@H](CN(C)Cc1cccnc1)Oc1cc(CC)ncn1 67588993 ZSJUEXBUYITKIG-SFHVURJKSA-N 326.444 3.280 30 50 EGEA CO/N=C/C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)N2C 367719579 INOXYRMOQRVEKR-QAONTGADSA-N 349.862 3.002 30 50 EGEA N#CC1(C#N)[C@H](c2cccs2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 227088854 PADCIVFBXXREEE-OSRSDYAFSA-N 338.392 3.257 30 50 EGEA CC(C)CN1CC2(CCN(Cc3ccc(C#N)cc3)CC2)CC1=O 95388153 MDTPKYLYVDKPKY-UHFFFAOYSA-N 325.456 3.029 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)N=N1 1875381926 LGKWSGMONMTSKB-HYVNUMGLSA-N 327.815 3.450 30 50 EGEA COc1ccc(/C=C2/S/C(=N/Nc3ccccc3)NC2=O)cc1 16133874 PSMDJNCMRPPLKM-RVDMUPIBSA-N 325.393 3.282 30 50 EGEA CC1=C/C(=N\OC(=O)c2cccc([N+](=O)[O-])c2)C(C(C)C)=CC1=O 16213991 PUQFZCCYJQFKRY-OBGWFSINSA-N 328.324 3.219 30 50 EGEA Cc1cc(C)n([C@@H]2CCCN(CCCC3(C#N)CCOCC3)C2)n1 375612354 NAOASYCDKQZFJK-GOSISDBHSA-N 330.476 3.237 30 50 EGEA C=C(C)COc1ccccc1C(=O)N(CC)Cc1nnc(CC)o1 55119207 YYMPBEZHZDNGDP-UHFFFAOYSA-N 329.400 3.249 30 50 EGEA CCn1cc(CN2CCCC[C@H]2CCn2ccnc2C)cc1C#N 77436441 FUCDKQAOZHFYLK-SFHVURJKSA-N 325.460 3.329 30 50 EGEA CC(C)(C#N)c1ccc(NC(=O)NC2CCC(C(=O)O)CC2)cc1 263483779 LREIQLNQQFOTAI-UHFFFAOYSA-N 329.400 3.253 30 50 EGEA N#Cc1ccc(NC(=O)[C@@H](Sc2cnn[nH]2)c2ccccc2)cc1 1772491204 MNFVKNOIIODOPA-INIZCTEOSA-N 335.392 3.148 30 50 EGEA CCOC(=O)C1=C(Cc2ccc(C)cc2)C(=O)c2ccccc2C1=O 17858864 BPOJTSJPTIZJSW-UHFFFAOYSA-N 334.371 3.476 30 50 EGEA Cc1nc(OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1 169965098 KQORMBMNJFWVHR-UHFFFAOYSA-N 325.217 3.268 30 50 EGEA N#Cc1ccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)cc1 222057170 BRLQZUVBXXNGPF-RTWAWAEBSA-N 345.446 3.181 30 50 EGEA COc1cccc(/C=C/c2nc(C#N)c(N3C[C@@H](C)O[C@H](C)C3)o2)c1 4867245 ZIUYEJDSIHAVFE-GODNBWANSA-N 339.395 3.339 30 50 EGEA CC1(C)OB(c2cc(Cl)ccc2N2CCCCC2=O)OC1(C)C 170006408 GBTWVRFVBIEZJD-UHFFFAOYSA-N 335.640 3.156 30 50 EGEA CC1(C)CN(C(=O)c2ccc(F)c(C#N)c2)C[C@](C)(C(F)(F)F)O1 356331706 WMVIHJOZJHVJOQ-OAHLLOKOSA-N 344.308 3.269 30 50 EGEA Cc1nccnc1[C@H](C)NCC1CCN(c2ccccc2C#N)CC1 364845112 FSIPCJSKLNOFDF-INIZCTEOSA-N 335.455 3.224 30 50 EGEA N#Cc1ccc(F)c(CN2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1 340237602 OSIDDQSXQZSXKS-RDTXWAMCSA-N 332.325 3.283 30 50 EGEA CC(C)(O)C#Cc1ccc(CN2CC(Oc3ccccc3F)C2)cc1 826626557 OLSPPWDUNZWPJO-UHFFFAOYSA-N 339.410 3.211 30 50 EGEA CC(C)(C#Cc1ccccc1)NC(=O)/C=C/CNC(=O)OC(C)(C)C 1875338398 WJHKCKSJBFDRSQ-FMIVXFBMSA-N 342.439 3.014 30 50 EGEA N#Cc1cccc2c1CC[C@H]2NC(=O)[C@H](O)c1ccc(Cl)cc1 1875355865 CQAWHXDTEBOBCP-IAGOWNOFSA-N 326.783 3.049 30 50 EGEA N#Cc1c(-c2ccco2)nc(SCc2ccc(F)cc2)[nH]c1=O 18219310 DXRLBFPEYLCEPQ-UHFFFAOYSA-N 327.340 3.333 30 50 EGEA CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H](c1ccccc1)C(C#N)C#N 100616531 IBBUNMDCCDIBFL-RBUKOAKNSA-N 328.375 3.472 30 50 EGEA N#Cc1cccc(CN2CCC[C@H](CNC(=O)C3CCCCC3)C2)c1 67975542 CIFDVWJLJHVNKD-LJQANCHMSA-N 339.483 3.467 30 50 EGEA CN(CCC/N=C(/O)[C@H]1CCCC12OCCO2)Cc1ccccc1 328589902 NMYHQZZGDPVSHV-QGZVFWFLSA-N 332.444 3.008 30 50 EGEA C#CCCC1(CCC(=O)N[C@H]2CCc3cc(OC)ccc3C2)N=N1 952879727 GWYBRCVBBCJVOG-INIZCTEOSA-N 325.412 3.024 30 50 EGEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2O)c1 1272252 IQEGIDLHCFOVHO-LICLKQGHSA-N 326.381 3.204 30 50 EGEA CCN(CC)C(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N 5393262 QUYQHFPCEVKZHX-UHFFFAOYSA-N 331.363 3.241 30 50 EGEA C#CCCC1(CCNC(=O)Cc2c[nH]c3cccc(OCC)c23)N=N1 2325890919 CYPYJRIYKDCOEY-UHFFFAOYSA-N 338.411 3.191 30 50 EGEA COC(=O)c1c(-c2ccccc2)c(-c2ccccc2)[nH]c(=O)c1C#N 8655366 DVJZCGDLASFUGL-UHFFFAOYSA-N 330.343 3.367 30 50 EGEA Cc1c(C#N)c(NC(=O)COc2ccccc2)n(-c2cccnc2)c1C 9418887 GYBHCTUGTWDKPG-UHFFFAOYSA-N 346.390 3.378 30 50 EGEA C=CCC(=O)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 67605463 TVHXPLHZFKBYCG-UHFFFAOYSA-N 344.798 3.405 30 50 EGEA Cc1cnccc1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 122005473 LGKHVLZQGHEHOZ-UHFFFAOYSA-N 336.395 3.337 30 50 EGEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/N=C(/O)[C@@H](C)c1cccnc1 328616014 ZMRILDDWCLFEDA-KCTSRDHCSA-N 328.416 3.022 30 50 EGEA N#Cc1ccc(N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)nc1 128195783 QEKJRCFBJQVOPI-CABCVRRESA-N 333.313 3.284 30 50 EGEA CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](c1ccccc1)C(F)(F)F 241701727 QKRYVLWEGMEZFI-CVEARBPZSA-N 339.361 3.030 30 50 EGEA C[C@@H](c1nccs1)N(C)C(=O)c1ccc(C#CC(C)(C)O)cc1 823637437 DCFVGULVFBRIOT-ZDUSSCGKSA-N 328.437 3.099 30 50 EGEA Cc1cc(S[C@@H](C)C(=O)Nc2sc(C)c(C)c2C#N)ncn1 12000670 CDOKYDVZPADWBM-NSHDSACASA-N 332.454 3.454 30 50 EGEA Cn1c([C@H](C#N)C(=O)c2ccc3nsnc3c2)nc2ccccc21 390833143 CUHOYHRACMSNHD-LLVKDONJSA-N 333.376 3.068 30 50 EGEA C=C(C)[C@@H]1OCCC[C@H]1C(=O)Nc1onc(C2CCOCC2)c1C 2325805934 GDBIBPXMRBYJEC-ZBFHGGJFSA-N 334.416 3.187 30 50 EGEA N#Cc1cc2c(nc1SCC(=O)Nc1nccs1)CCCC2 238774 VLEAHADSKXXUKI-UHFFFAOYSA-N 330.438 3.019 30 50 EGEA CC(C)(C#N)c1ccccc1CN1CCN(C(=O)c2ccco2)CC1 135095411 BQAPGECNWIQBAL-UHFFFAOYSA-N 337.423 3.039 30 50 EGEA COc1ccc2[nH]cc(C3CCN(c4cnc(C#N)cn4)CC3)c2c1 122209793 NCSYPSUWQXBXCB-UHFFFAOYSA-N 333.395 3.222 30 50 EGEA Cc1cc(C)c(C#N)c(N2CCC[C@](Cc3ccccc3)(C(=O)O)C2)n1 71750778 YBAJXOIAZKHUGJ-OAQYLSRUSA-N 349.434 3.484 30 50 EGEA C=CCn1ncc(CN2CCC[C@H](c3cccc(C(=O)O)c3)C2)c1C 95353415 IIQXSYHPZHZVHK-SFHVURJKSA-N 339.439 3.455 30 50 EGEA CC#CC(=O)N(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCc2ccccc21 1875377354 XZIRGCHPTFXINO-QGZVFWFLSA-N 342.439 3.003 30 50 EGEA C=C(C)C(C)(C)C(=O)N1CCC(c2nc(C)c(C(=O)OCC)[nH]2)CC1 1775994037 QJWVVASQBBCFQJ-UHFFFAOYSA-N 347.459 3.203 30 50 EGEA N#C[C@@H](CO)Cc1cc(-c2ccc([C@@H]3CCC(=O)N3)cc2)ccc1F 904833591 PCTIEOKRMUNMAF-DJJJIMSYSA-N 338.382 3.118 30 50 EGEA C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccc(F)cc1F 348009353 YSXSOAOURXBANA-WFASDCNBSA-N 339.345 3.396 30 50 EGEA N#Cc1ccc2ncc(CNC[C@H]3CCO[C@@H]3c3ccccc3)n2c1 328637326 VWRVYBRRBUXFPQ-YLJYHZDGSA-N 332.407 3.073 30 50 EGEA CN/C(=N/C[C@@H]1CCCO[C@H]1c1ccc(C)cc1)NCc1ccco1 253430991 NAYNUQFXHWDVSZ-HKUYNNGSSA-N 341.455 3.421 30 50 EGEA Cn1cc(CNc2c(C#N)cnc3c(Br)cccc23)cn1 252481790 CRZMSVLYWDRJSB-UHFFFAOYSA-N 342.200 3.215 30 50 EGEA O=C(CCCCCCCCCCCS)ON1C(=O)CCC1=O 101252549 WDHWRJMCVWOMCM-UHFFFAOYSA-N 329.462 3.424 30 50 EGEA C=CCOc1ccc(C(=O)N(CC)C[C@@H]2CCN(C)C2)cc1OCC 55100503 QIULLFZPFBXHDG-MRXNPFEDSA-N 346.471 3.064 30 50 EGEA Cc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1/C(O)=N/[C@@H]1CCC(O)=NC1 328604828 LGNNFFGZUFAZQP-WTANOLMUSA-N 328.412 3.419 30 50 EGEA Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)c1 455948738 BOZHNHYTQAGWQF-INIZCTEOSA-N 326.444 3.206 30 50 EGEA CCOC(=O)c1cn(-c2cc(C#N)cc(F)c2O)nc1-c1ccco1 1875321105 UUAMMGPCDBUROT-UHFFFAOYSA-N 341.298 3.025 30 50 EGEA CC#CC(=O)N(C)[C@H]1CN(C(=O)OC(C)(C)C)CCc2ccccc21 1875377351 XZIRGCHPTFXINO-KRWDZBQOSA-N 342.439 3.003 30 50 EGEA C#CCCC1(CCC(=O)N2CCc3c(cnn3-c3ccccc3)C2)N=N1 952883090 WRSPZXXWWVCPGC-UHFFFAOYSA-N 347.422 3.113 30 50 EGEA Cc1ccsc1CCNC(=O)c1cccc(C#CC(C)(C)O)c1 952973725 HRNCBMUNLMZQPS-UHFFFAOYSA-N 327.449 3.151 30 50 EGEA C#CCCC1(CCC(=O)NCCCN(CC)Cc2ccccc2)N=N1 2325900364 VILWFZZCTRDQAP-UHFFFAOYSA-N 340.471 3.371 30 50 EGEA C=CCOC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3 2479781 SWLOBVWNBCTVOY-UHFFFAOYSA-N 328.364 3.088 30 50 EGEA O=C(O)c1ccc(Cl)c(NC=C2C(=O)c3ccccc3C2=O)c1 2562031 UNCPASIOMRAMKY-UHFFFAOYSA-N 327.723 3.413 30 50 EGEA CCc1ncsc1/C(O)=N/C[C@@H]1CCN(C)[C@H]1c1cccnc1 328624778 KFJGMPICBAJKBK-ZFWWWQNUSA-N 330.457 3.098 30 50 EGEA C=CCCN1CCC(CNC(=O)c2ccc(OC(F)F)cc2)CC1 1506421570 IXUHYCNYVDRMLD-UHFFFAOYSA-N 338.398 3.306 30 50 EGEA Cc1ncsc1CN(C)C[C@H]1CCN(Cc2ccc(C#N)s2)C1 190456927 SMWRNHNDGPJLSH-CQSZACIVSA-N 346.525 3.339 30 50 EGEA N#Cc1cccnc1NCCOC(=O)c1coc2c(F)cccc12 2325854013 KVNKORAOLGNVEE-UHFFFAOYSA-N 325.299 3.107 30 50 EGEA Cc1cc(S(=O)(=O)N2CCc3sccc3[C@@H]2C)ccc1C#N 318496032 CRDQTXZJCZKPKF-LBPRGKRZSA-N 332.450 3.236 30 50 EGEA Cn1cncc1[C@@H]1C[C@@H](/N=C(/O)c2cccc3c2CCC3)CCO1 328621590 HWELNVAZUBIQIK-KSSFIOAISA-N 325.412 3.134 30 50 EGEA N#Cc1cc2ccccc2nc1NC[C@@H]1CCC2(CCOCC2)CO1 882789514 WNZNSMVHPHJXAH-KRWDZBQOSA-N 337.423 3.494 30 50 EGEA Cc1nc(C#N)c(N2CCC(c3nc(-c4ccsc4)no3)CC2)o1 193149360 ONXWIYQCXGGKFC-UHFFFAOYSA-N 341.396 3.350 30 50 EGEA C#CCN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2Cl)C1=O 1164720 ISWPCVWAMMKCBR-NTUHNPAUSA-N 337.784 3.027 30 50 EGEA C#CCCC1(CCC(=O)N(C)C[C@H](C)N(C)Cc2ccccc2)N=N1 2325900645 CZFKHDRKMPDUIS-KRWDZBQOSA-N 340.471 3.321 30 50 EGEA COc1cccc([C@@H]2C[C@@H](O)CN2Cc2cc(C#N)ccc2F)c1 282427591 YXBFIPLKNIBVOU-APWZRJJASA-N 326.371 3.014 30 50 EGEA C[C@](O)(/C(O)=N/CCc1nc(-c2ccc(Cl)cc2)no1)C1CCC1 328595476 WDFNZAPPAVEGTP-QGZVFWFLSA-N 349.818 3.440 30 50 EGEA COc1cccnc1N=C(O)N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1 328594693 SDCIGDFEVDMZOR-MLGOLLRUSA-N 345.374 3.237 30 50 EGEA Cc1ccccc1C[C@@H](C)N(C)S(=O)(=O)c1cc(C#N)ccc1C 445065184 KLDLVKQMNGVKLP-MRXNPFEDSA-N 342.464 3.427 30 50 EGEA OCC#Cc1csc(CN2CCCC[C@H]2CCc2ccccn2)c1 828644603 KKLIGUXWBILDIJ-IBGZPJMESA-N 340.492 3.474 30 50 EGEA N#CCCn1ccc(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)n1 170605365 JFMNKJDWOSQKEF-UHFFFAOYSA-N 348.288 3.331 30 50 EGEA C#C[C@H](NC(=O)c1cccc(N[C@H](C)C(C)C)c1C)[C@H]1CCOC1 225391042 MVENGQQUOYMHOL-RYRKJORJSA-N 328.456 3.220 30 50 EGEA O=S(=O)(/N=C(\O)COc1ccccc1)c1ccc(Cl)cc1 613405 LDFXIAJOMBTGGX-UHFFFAOYSA-N 325.773 3.064 30 50 EGEA Cc1occc1/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328645978 ZWYHQFCCEIMPEL-SNVBAGLBSA-N 327.306 3.371 30 50 EGEA COc1ccc([C@H](NCc2cc(C#N)n(C)c2)C2CCOCC2)cc1 373610166 JNIWITIJMNJCOW-FQEVSTJZSA-N 339.439 3.163 30 50 EGEA CCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 4488907 QUKCNDHDBPUENQ-ZDUSSCGKSA-N 343.423 3.341 30 50 EGEA CC1(C)OB(c2ccc(Cl)c(NC(=O)C3CCC3)c2)OC1(C)C 404992176 DNBSJQVUQTVSJL-UHFFFAOYSA-N 335.640 3.378 30 50 EGEA C=CCN(C)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 119101209 MAPROKNCXNUAOZ-AWEZNQCLSA-N 338.411 3.222 30 50 EGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 6138385 ZQWHZMRDHZGSRV-KRWDZBQOSA-N 329.371 3.357 30 50 EGEA Cc1[nH]c2ccccc2c(=O)c1C[C@@H](C#N)C(=O)Nc1ccccc1 65365735 PMQOMUSKYGDVKM-AWEZNQCLSA-N 331.375 3.158 30 50 EGEA N#Cc1ccc(F)c(CN2CCOC[C@H]2CC(=O)c2cccs2)c1 154447551 VGCSBHDGVQXWOZ-OAHLLOKOSA-N 344.411 3.233 30 50 EGEA N#Cc1ccc(C2=CCN(C(=O)C[C@@H](O)c3ccccc3)CC2)cc1 367390692 SERXXFNJKVBBHA-HXUWFJFHSA-N 332.403 3.298 30 50 EGEA N#Cc1cccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)n1 426498770 VHNXWJFZAPVGDK-UHFFFAOYSA-N 327.334 3.492 30 50 EGEA CCOc1ccc(/C=N\N2CCN(c3ccccc3OC)CC2)cc1 15685163 FRJFTKDLHMHBOO-PGMHBOJBSA-N 339.439 3.250 30 50 EGEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2O)cc1 1246987 OHWQRVAHTCKZNF-LICLKQGHSA-N 326.381 3.204 30 50 EGEA CC(=O)c1cccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c1 5009217 CUPNDNQLSLSUHD-UHFFFAOYSA-N 349.415 3.216 30 50 EGEA O/C(=N/Cc1cccc(-c2ccccn2)c1)N[C@@H]1CCO[C@@H]1C1CC1 330031611 BDCGBJUDEYRIGN-RTBURBONSA-N 337.423 3.320 30 50 EGEA C=CCOc1ccc(Cl)cc1-c1c(C#N)c(N)nc2c1CNCC2 72163434 AUBQKMOJCVHPCK-UHFFFAOYSA-N 340.814 3.066 30 50 EGEA Cc1nc(-c2ccccc2)oc1C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 181432456 IGGJNBBFAJIZDL-CQSZACIVSA-N 346.346 3.006 30 50 EGEA N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(C(=O)N2CCCC2)cc1 301212194 VPZXMQQXFWSSTI-UHFFFAOYSA-N 337.335 3.495 30 50 EGEA N#Cc1cccc(C(=O)N2CCC3(CC2)OCCc2sccc23)c1 1704356981 ACTRLLKKCOZMSB-UHFFFAOYSA-N 338.432 3.324 30 50 EGEA C=C1CC[C@@]23C[C@@H](CC[C@@H]2[C@@]12C[C@H](c1ccoc1)OC2=O)OC3=O 5600852 UNKJMPBJRRFBEL-QGRWZNMESA-N 328.364 3.316 30 50 EGEA biogenic N#Cc1ccc(N2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)nc1 67804455 ZXVDZBIRGXWYOV-IBGZPJMESA-N 343.377 3.053 30 50 EGEA N#Cc1ccc(N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)nc1 128196036 QEKJRCFBJQVOPI-HUUCEWRRSA-N 333.313 3.284 30 50 EGEA C[C@]12CC[C@@H]3[C@H](CC[C@]45O[C@H]4OC(=O)CC[C@]35C)[C@@H]1CC[C@@]2(C)O 71786537 GRVLFUXZSFWPQB-GCJVYBTDSA-N 334.456 3.412 30 50 EGEA C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cc2ccccc2s1 184365964 ITLTWXNYQJJDQP-KPZWWZAWSA-N 327.453 3.360 30 50 EGEA C[C@@H]1OCCC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 189060672 XJXPTHNGANMXCJ-WFASDCNBSA-N 340.345 3.264 30 50 EGEA O=[N+]([O-])c1cc(Br)cc(/C=N/c2cncs2)c1O 5730955 LGGCVJRCNNHLCQ-QLKAYGNNSA-N 328.147 3.270 30 50 EGEA C#Cc1ccnc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1 2325806337 HUHUZOYZYXVTFI-UHFFFAOYSA-N 340.810 3.400 30 50 EGEA FC(F)(F)c1ccccc1/C=N/N1CCN(c2ccccn2)CC1 100576588 LHCBEAIBSLDLTG-LPYMAVHISA-N 334.345 3.257 30 50 EGEA C[C@@H]1CC(NCc2ccccc2)=CC(=O)[C@H]1C(=O)NCc1ccccc1 100000759 GLBNMIOAGOTENI-IERDGZPVSA-N 348.446 3.202 30 50 EGEA CCn1cc(-c2c(C)c([C@@H]3CCOC(C)(C)C3)nc(N)c2C#N)cn1 67605395 CJSGJYYNQOCRCG-CYBMUJFWSA-N 339.443 3.400 30 50 EGEA Cc1cc(S(=O)(=O)N2Cc3ccccc3C3(CC3)C2)ccc1C#N 333290463 FSYQQLSJHBCZEI-UHFFFAOYSA-N 338.432 3.103 30 50 EGEA Cc1nc(C#N)c(NC[C@@H](c2ccc(F)cc2F)N2CCCC2)o1 227156231 BAFUFQHXCONXJG-INIZCTEOSA-N 332.354 3.382 30 50 EGEA N#C[C@@H]1CCCC[C@H]1OC(=O)CN1C(=O)CCCc2sccc21 170623085 GFIMCSGNRQCPCM-GXTWGEPZSA-N 332.425 3.043 30 50 EGEA C[C@@]12CCC(=O)[C@@H]1[C@@H]1C[C@@H]3O[C@@]34CCC3(C[C@]4(C)[C@@H]1CC2)OCCO3 253531165 MUOSCBNRUUJMHQ-FNJMPTQDSA-N 346.467 3.473 30 50 EGEA CC1(C)OB(c2ccc(F)cc2C(=O)Nc2ccccc2)OC1(C)C 170004086 MLYBOPUIVMVJDB-UHFFFAOYSA-N 341.191 3.377 30 50 EGEA C[C@@H](/N=C(/O)NC1CCC(O)(c2ccccc2)CC1)c1ccncc1 328587438 SJBGNODYGNCJFI-MYWSLZCHSA-N 339.439 3.477 30 50 EGEA O=C(NCCCn1ccnc1)c1ccc(C#Cc2ccccc2)cc1 3899580 YQRGSZVXCHGHRA-UHFFFAOYSA-N 329.403 3.103 30 50 EGEA C=CCNc1cnn(CC(=O)c2ccc(Cl)cc2)c(=O)c1Cl 4049960 YZHYCPBEMFNRBL-UHFFFAOYSA-N 338.194 3.031 30 50 EGEA CC(C)=CCN1CC2(CCN(Cc3cccc(C#N)c3)CC2)CC1=O 91781233 MAZXVCZHOHAUCE-UHFFFAOYSA-N 337.467 3.339 30 50 EGEA C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(F)cc1C#N 193744587 UQTCXSFRWSXPJC-GFCCVEGCSA-N 331.391 3.111 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)cc1 19229019 VTNYBNGREGVNLD-QGZVFWFLSA-N 341.407 3.169 30 50 EGEA C#CCCC1(CCC(=O)Nc2cc(OC)cc(-n3cccn3)c2)N=N1 2325892138 AUBGSFSGCSXMPK-UHFFFAOYSA-N 337.383 3.175 30 50 EGEA C=CCC[C@@H](CN(C)Cc1cccnc1)Oc1cccc(OC)n1 67742381 YLEILFJQYJXLKB-KRWDZBQOSA-N 327.428 3.331 30 50 EGEA C[C@H](CN1CCCC1=O)/N=C(/O)N1CCC[C@H]1/C=C/c1ccccc1 328587142 VHUKOPNKCUYLLJ-KBXJCHCYSA-N 341.455 3.089 30 50 EGEA N#Cc1cccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)c1 92065770 LUGNCDYDABEKBM-TZIWHRDSSA-N 345.446 3.295 30 50 EGEA N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 225516837 LYGRVSZXIURWDT-QHAWAJNXSA-N 345.446 3.199 30 50 EGEA CC(C)CSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2 18323240 QSKAUCNYRLUPRN-UHFFFAOYSA-N 331.485 3.417 30 50 EGEA OC(=Nc1cnc2c(c1)CCCC2)N1CC[C@H](n2cc(Cl)cn2)C1 329499659 HCZNQPQRIVOCGS-HNNXBMFYSA-N 345.834 3.303 30 50 EGEA N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)Cc1ccccc1F 170623806 QJOVLCCACRATNE-UHFFFAOYSA-N 342.351 3.326 30 50 EGEA N#Cc1nc(-c2ccc(Cl)cc2)oc1SCCN1CCOCC1 227155262 NDEZROILASRKIS-UHFFFAOYSA-N 349.843 3.291 30 50 EGEA CC#CC(=O)N[C@H](C)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 1875363157 WIHGTQCLTKABEI-LLVKDONJSA-N 335.329 3.400 30 50 EGEA CC(C)(C)NC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 405083393 NOSZVJKZSPXOAM-UHFFFAOYSA-N 336.216 3.045 30 50 EGEA N#C[C@@H]1N(C(=O)Cc2ccc(Cl)s2)CCC[C@]12CCCCO2 253395342 ZQPPQTQJZQZPPD-XJKSGUPXSA-N 338.860 3.398 30 50 EGEA O=C(ON=C1C=CC(=NOC(=O)c2ccco2)C=C1)c1ccccc1 52463 LMYNUPPENXBKIV-UHFFFAOYSA-N 336.303 3.131 30 50 EGEA C=CCn1c(SCC(C)C)nc(O)c(Cc2ccccc2)c1=O 447257 KRJXMRUKCGKLEI-UHFFFAOYSA-N 330.453 3.474 30 50 EGEA COc1cccc([C@H]2C[C@H](O)CN2Cc2ccc(C#N)c(F)c2)c1 337399331 KDINWFAZCIEAOM-QFBILLFUSA-N 326.371 3.014 30 50 EGEA CC1CCN(C(=O)c2ccc(NC(=O)c3c[nH]c(C#N)c3)cc2)CC1 180852377 RIBPDMRHRARDHA-UHFFFAOYSA-N 336.395 3.011 30 50 EGEA CC1(C)CN(CCOCCC#N)[C@H]1c1nccn1-c1ccc(F)cc1 952891680 HCFQOYCVPSACEW-KRWDZBQOSA-N 342.418 3.325 30 50 EGEA N#Cc1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 16647893 VXLCZCYSXOYFSP-UHFFFAOYSA-N 339.420 3.111 30 50 EGEA Cc1ccc(C(=O)[C@]2(C)N(O)[C@@H](C)C(c3cccs3)=[N+]2[O-])cc1 1812038 SWEZWYGQZZMOHC-YVEFUNNKSA-N 330.409 3.048 30 50 EGEA C=C1CN=C(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)S1 1079329 XXEJGXJSIUWRKP-UHFFFAOYSA-N 344.461 3.494 30 50 EGEA O=C(C[n+]1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 3127714 JBCONKADXZEDNN-UHFFFAOYSA-N 333.367 3.356 30 50 EGEA N#Cc1c(N)nc2c(c1-c1ccc(O)cc1Cl)N1CCC2CC1 101816117 OOFLTCFFGVMORD-UHFFFAOYSA-N 326.787 3.259 30 50 EGEA CC(C)(C)OC(=O)N1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1 170002840 OFSNRLCTQYDTQE-UHFFFAOYSA-N 345.248 3.237 30 50 EGEA Cc1ccccc1-c1nc(C#N)c(S(=O)(=O)N2CCCCCC2)o1 1775965216 XUSJAVRJNPUOEY-UHFFFAOYSA-N 345.424 3.086 30 50 EGEA C=CCC(=O)NC[C@@H]1Cc2c(ccc3cc(-c4ncccn4)ccc23)O1 12038320 INKSUKQSJPSKGE-INIZCTEOSA-N 345.402 3.293 30 50 EGEA C#CCCC1(CCC(=O)Nc2csc(-c3ccccn3)n2)N=N1 2325892686 WWZIDEKMMWAEML-UHFFFAOYSA-N 325.397 3.499 30 50 EGEA CC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OC1CCCC1 1127038 IMHGJCRMFBJJBY-KRWDZBQOSA-N 330.453 3.390 30 50 EGEA C=CCn1cc(CN2CCN(c3ccccc3OCC)CC2)c(C)n1 55358020 WGEHWIYHQUGMFR-UHFFFAOYSA-N 340.471 3.098 30 50 EGEA C[C@@H]1CN(C(O)=Nc2ccc(F)c(C3CC3)c2)C[C@]2(CCOC2)O1 328588695 VKSCTGNERRZUSG-XIKOKIGWSA-N 334.391 3.128 30 50 EGEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2nc3ccccc3s2)C1 328611618 MBAWPEIFQHLVGQ-MRXNPFEDSA-N 343.412 3.070 30 50 EGEA C=C(C)[C@H]1OCCC[C@H]1C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 241869006 STRXQQZSNOKTQB-RCCFBDPRSA-N 333.428 3.159 30 50 EGEA Cn1cc(CN2CCC[C@H](COc3ccc(F)cc3)C2)cc1C#N 72143034 HDJGJBZNTJOAHQ-HNNXBMFYSA-N 327.403 3.327 30 50 EGEA C=C(C)CNC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 119101014 ZPAOPYJKMWLFPE-AWEZNQCLSA-N 338.411 3.270 30 50 EGEA C#CCCC1(CCC(=O)NCC[C@@H](c2ccccc2)N(C)C)N=N1 2325900052 JENQBHNTJMWAJA-KRWDZBQOSA-N 326.444 3.151 30 50 EGEA CN(/C(N)=N/C[C@H]1CCCN(C)[C@H]1c1cccc(Cl)c1)C1CC1 252570763 XCJFIBMJSUDHRY-PBHICJAKSA-N 334.895 3.132 30 50 EGEA CC(=O)NCCn1cnc(-c2ccccc2)c1-c1cccc(C#N)c1 65410027 NRSSQEHCIYNQFN-UHFFFAOYSA-N 330.391 3.225 30 50 EGEA Cc1ccc([N+](=O)[O-])c(OCC/C(O)=N/[C@H]2CC[C@@H](CO)CC2)c1 328592998 ZVNXJWQUZYYBOE-OKILXGFUSA-N 336.388 3.180 30 50 EGEA CN1CCC[C@H](CCC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 95359433 HDNQSNLVSRNEEY-GOSISDBHSA-N 339.483 3.192 30 50 EGEA S=C(N/N=C/c1ccc2c(c1)OCO2)Nc1cccc(Cl)c1 731289 BSYMDXKKVXQTIW-CAOOACKPSA-N 333.800 3.389 30 50 EGEA COCCn1ncc2c1[C@@H](Nc1ncc(Cl)c(C)c1C#N)CCC2 240534545 GOKIKRKJCFLVGF-HNNXBMFYSA-N 345.834 3.248 30 50 EGEA CCCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(C)=O)cc1OCC 4180569 DLUJNLVKFDCVPR-GOSISDBHSA-N 346.427 3.481 30 50 EGEA C=CCn1cc(CNCCc2c(C)[nH]c3ccc(C#N)cc23)c(C)n1 55369096 ZGYKIBGWMGGHFP-UHFFFAOYSA-N 333.439 3.371 30 50 EGEA Cc1nc(C)c(N=C(O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)s1 328609628 FHPNAZSSCUAAJE-JSGCOSHPSA-N 334.445 3.476 30 50 EGEA Cc1ccc(Cc2ccccn2)cc1N=C(O)N1CC[C@@H](O)[C@@H](C)C1 329228839 CBKVADQJKSPRNB-HNAYVOBHSA-N 339.439 3.229 30 50 EGEA OC(=Nc1cc(Cl)c(Cl)cn1)N1CCCC[C@H]1c1nc[nH]n1 328594340 DDONLJRTKAHNRP-JTQLQIEISA-N 341.202 3.279 30 50 EGEA CC1(C)OB(c2ccccc2Oc2ccc(F)cc2N)OC1(C)C 170006561 QOXUVPUZVVDRMS-UHFFFAOYSA-N 329.180 3.499 30 50 EGEA Cn1ccnc1N1CCC(/N=C(/O)Cc2ccc(Cl)s2)CC1 328679264 MWSASDRGYLPWEY-UHFFFAOYSA-N 338.864 3.303 30 50 EGEA Cc1cc(C)c(C#N)c(-c2ccc(C(=O)NCC3(C)COC3)cc2)n1 426701380 HUQGZJJUOCYLPC-UHFFFAOYSA-N 335.407 3.003 30 50 EGEA Cc1ccc([C@H]2CN(c3cccc(C#N)n3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95385228 GYVAXNFELCMOTN-CEMLEFRQSA-N 344.462 3.328 30 50 EGEA C[C@H](CC(F)F)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1875260171 JYPNSSRJYVUFLQ-LLVKDONJSA-N 339.361 3.074 30 50 EGEA Cn1cc(C#N)cc1C(=O)Nc1ccc(N2CCCC2)c2ncccc12 952975543 ZEKFLBBATMFCHM-UHFFFAOYSA-N 345.406 3.297 30 50 EGEA C#C[C@H](NC(=O)c1cccc(N[C@@H](C)C(C)C)c1C)[C@@H]1CCOC1 170600952 MVENGQQUOYMHOL-JZXOWHBKSA-N 328.456 3.220 30 50 EGEA COc1cc(C/N=C(/O)N2CCC(c3nccs3)CC2)ccc1O 328586517 YWSPUGMMZVKQTJ-UHFFFAOYSA-N 347.440 3.151 30 50 EGEA CSc1cccc(N(C(=O)CSCC#N)C2CCN(C)CC2)c1 112247680 MYWBIKCJCQEZMQ-UHFFFAOYSA-N 349.525 3.092 30 50 EGEA COc1cc(Cn2ccnc2-c2cccc(C#N)c2)cc(OC)c1OC 67833959 ZKJYIULAECMOEG-UHFFFAOYSA-N 349.390 3.496 30 50 EGEA C=CCSc1nnc(N/N=C/c2cccc(Br)c2)[nH]1 6856153 PWBYWERIVIYEHD-RIYZIHGNSA-N 338.234 3.291 30 50 EGEA Cc1cc(Cl)c2ncc(C#N)c(N3CCO[C@]4(CCOC4)C3)c2c1 242263297 XXTBOSMVTDEKEI-GOSISDBHSA-N 343.814 3.064 30 50 EGEA COC[C@H](NC(=O)c1cc(F)cc2cnccc12)c1cccc(C#N)c1 1875317071 MSXKXWZZVGFEAB-IBGZPJMESA-N 349.365 3.363 30 50 EGEA N#C[C@H](C(=O)c1ccc(O[C@H]2CCOC2)cc1)c1nc2ccccc2[nH]1 408515102 NVTNODMEPKKOIN-JKSUJKDBSA-N 347.374 3.221 30 50 EGEA Cn1cc([C@H]2CCN(Cc3cc(C#N)ccc3Br)C2)cn1 191792371 PCTKMYTVPKVCJD-ZDUSSCGKSA-N 345.244 3.044 30 50 EGEA COc1cccc(/C=N/n2c(SC)nnc2-c2ccccc2)c1O 434918 XCISAXFAJRYOEW-WOJGMQOQSA-N 340.408 3.263 30 50 EGEA Cc1cc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccn1 120088889 FXXSZLCTRCSEDV-UHFFFAOYSA-N 336.395 3.337 30 50 EGEA N#Cc1ncccc1S(=O)(=O)N1CCCC[C@H]1c1ccc(F)cc1 253432675 MOEFAPWQDGRORI-INIZCTEOSA-N 345.399 3.008 30 50 EGEA COc1ccc([C@H]2OCC[C@@H]2NC2CC(C#N)(c3ccccc3)C2)cn1 375340563 FKXZXTFFQGUQGC-JLMIFGBASA-N 349.434 3.134 30 50 EGEA CC1(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCCCC1 496444584 SEOJAPTYILRPBP-AWEZNQCLSA-N 337.464 3.413 30 50 EGEA C[C@@H]1CCCCN1C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12 229994349 IHANHCGTYJEQAK-KJZYVHILSA-N 347.499 3.388 30 50 EGEA biogenic CC[C@@]12OC(=N)[C@@](C#N)([C@@H]1C)C(C#N)(C#N)[C@H](c1ccc(C)cc1)O2 230027497 PSEFZTALOJAXRE-JECZMYCTSA-N 334.379 3.360 30 50 EGEA C=CCCC(=O)N1CCC[C@@]2(CN(CC3CCCCC3)CC[C@H]2O)C1 1857684895 JJKXYJGUEXTJBB-TZIWHRDSSA-N 348.531 3.208 30 50 EGEA C=C(C)COc1cccc(C(=O)N(C)Cc2nc(CC(C)C)no2)c1 55326592 FPHBBGRGQJNMEI-UHFFFAOYSA-N 343.427 3.495 30 50 EGEA Cc1noc([C@@H](/N=C(/O)CCc2ccsc2)C2CCOCC2)n1 328612764 PUILLHBYFSAJME-HNNXBMFYSA-N 335.429 3.497 30 50 EGEA N#Cc1ccnc(N2CCC(CO)(CCOc3ccccc3)CC2)c1 71439987 SRUFANPVXNXHDI-UHFFFAOYSA-N 337.423 3.001 30 50 EGEA N#Cc1ccccc1-c1ccc(CN2CCC(N3CCCC3=O)CC2)o1 71422102 PCGAFGAMURGHKG-UHFFFAOYSA-N 349.434 3.405 30 50 EGEA C=CCn1c(SCc2n[nH]c(C(C)C)n2)nnc1-c1ccccn1 291642429 MSISOBRCEYBSKR-UHFFFAOYSA-N 341.444 3.060 30 50 EGEA Cc1nc(CC(C)C)c(NC(=O)Nc2ccn(CCC#N)n2)s1 170605378 IPHOYZUKHZEVQW-UHFFFAOYSA-N 332.433 3.404 30 50 EGEA CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1 112860 PENKCJKEHOMKIA-QGZVFWFLSA-N 338.411 3.335 30 50 EGEA CCOC(=O)c1cc(CC)sc1NC(=O)C#Cc1ccccc1 227451 GLOJOSFHPJBMJR-UHFFFAOYSA-N 327.405 3.477 30 50 EGEA CCn1cc(CN2CCC(Oc3ccc(OC)cc3)CC2)cc1C#N 72157840 MTEZFLCWVYPPEJ-UHFFFAOYSA-N 339.439 3.432 30 50 EGEA C[C@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nnnn1C 189851907 WQVDTWFJIDQXHZ-NSHDSACASA-N 338.346 3.186 30 50 EGEA CC[C@H](c1cccnc1)N(C)C(=O)c1ccc(C#CC(C)(C)O)o1 1506419411 PFRXNBYTZQPLRD-MRXNPFEDSA-N 326.396 3.020 30 50 EGEA CC1(C)OB(c2cnn(-c3c(Cl)cccc3Cl)c2)OC1(C)C 169956111 UUENFKALJMRFGZ-UHFFFAOYSA-N 339.031 3.478 30 50 EGEA Cc1nnc([C@]23CCC[C@H]2CN(c2c(Cl)cccc2C#N)C3)o1 912373808 RUUAQWLCLKQLBR-GUYCJALGSA-N 328.803 3.461 30 50 EGEA Cc1cc(CNC(=O)COc2ccc(C#N)cc2)c2ccccc2n1 1426586 MHKSZLKKCDPIAH-UHFFFAOYSA-N 331.375 3.110 30 50 EGEA C#CCn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 4033518 ZSGDDZJSTUITAM-KRWDZBQOSA-N 329.403 3.186 30 50 EGEA N#Cc1c(NC(=S)NC(=O)c2cccnc2)sc2c1CCCC2 229984 MHECDMNNQXOYSU-UHFFFAOYSA-N 342.449 3.020 30 50 EGEA Cc1ccc(CN2CCN(c3cccc(C#N)n3)CC2)c2cccnc12 65371898 AYKAUSWUYUJJBB-UHFFFAOYSA-N 343.434 3.132 30 50 EGEA O/C(=N/CC1CC1)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1 328608187 YLNNQAHHYBMQRM-WMZOPIPTSA-N 325.412 3.376 30 50 EGEA OC1=N[C@@H]2CCCC[C@@H]2N(/C(O)=N/CC(F)(F)c2ccccc2)C1 329575082 AXLNRTAMTIBVBC-KGLIPLIRSA-N 337.370 3.276 30 50 EGEA Cn1ccnc1[C@@H]1CCN(/C(O)=N/[C@@H]2CCCc3sccc32)C1 329886690 WLQJJTXMCGHVPS-TZMCWYRMSA-N 330.457 3.263 30 50 EGEA C=CCCC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 95378790 MLBQRWCNRGXRSI-CWFSZBLJSA-N 346.421 3.320 30 50 EGEA O=C1N/C(=N/C2CCCC2)S/C1=C/c1cc(-n2ccnc2)cs1 783701465 WPLBKZVDXOHSBJ-RIYZIHGNSA-N 344.465 3.436 30 50 EGEA CCOC(=O)C1=C(C)NC(=S)[C@@H](C#N)[C@@H]1c1ccc(Cl)cc1 13285273 IWYVZHGOUDGWAV-JSGCOSHPSA-N 334.828 3.331 30 50 EGEA Cc1cc([C@@H](C)NCCS(=O)(=O)c2ccc(C#N)cc2)c(C)s1 163149085 WOVVAVXDMCUGRX-CYBMUJFWSA-N 348.493 3.361 30 50 EGEA Cc1ccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 1429571 MMBCUIQIPADEBZ-HNNXBMFYSA-N 326.440 3.431 30 50 EGEA COc1ccc(C(=O)c2c(N)c(C#N)c(C)n2-c2ccccc2)cc1 198139 ZGAYDFKCXHWEFQ-UHFFFAOYSA-N 331.375 3.479 30 50 EGEA Cc1c(C(=O)OC(C)C)sc(NC(=O)c2cccnc2)c1C#N 433719 ASNBMNXXSGDDJS-UHFFFAOYSA-N 329.381 3.141 30 50 EGEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(O)cc1 1272869 POPXXFBTWMZRSB-LICLKQGHSA-N 326.381 3.204 30 50 EGEA CC(C)Oc1ncccc1C(=O)[C@H](C#N)c1nc2ccccc2n1C 342451212 WBJXXBHJAOALDN-AWEZNQCLSA-N 334.379 3.246 30 50 EGEA N#Cc1ccc(CN2CCC(NCCc3ccccc3O)CC2)cc1 181650893 VYGWICAEGDKJPX-UHFFFAOYSA-N 335.451 3.061 30 50 EGEA N#CC1(c2ccccc2)CCN(Cc2cc(C#CCO)cs2)CC1 828644682 ZHHVQFBHGCEJQV-UHFFFAOYSA-N 336.460 3.149 30 50 EGEA COc1ccc(C(=O)C[n+]2ccc(C(=O)c3ccccc3)cc2)cc1 5675755 ZRTRDZPOYDAHAE-UHFFFAOYSA-N 332.379 3.097 30 50 EGEA CC(C)(C)OC(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 169839963 ANBFXKONRFZJAO-UHFFFAOYSA-N 333.237 3.011 30 50 EGEA CCc1ccc(-n2nnc(C(=O)Nc3ccccc3C#N)c2C)cc1 8021814 PQLNFKPRNDBPOK-UHFFFAOYSA-N 331.379 3.262 30 50 EGEA N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)o1 3327501 CSEVOJQNTGHUBW-UHFFFAOYSA-N 336.376 3.339 30 50 EGEA C[C@@H](C1CC1)n1cc(N=C(O)N2CCC[C@H](OCC3CC3)C2)cn1 328595770 DYSSFOPYRPSJPK-GUYCJALGSA-N 332.448 3.291 30 50 EGEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)c2sccc2OC)cn1 328617059 CIUOYQBVENKETB-GXTWGEPZSA-N 335.429 3.198 30 50 EGEA N#Cc1cc(N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)ccn1 253394382 GHJZZKKEIUSCBC-BBRMVZONSA-N 333.313 3.284 30 50 EGEA Cc1cc2c(cc1-c1cc(-c3cc[nH]c3)nc(N)c1C#N)OCCO2 71767522 ATNFEQQLLAZWPP-UHFFFAOYSA-N 332.363 3.277 30 50 EGEA Cc1c(C#N)c(NCc2nnc([C@@H]3CCCOC3)o2)nc2ccccc12 1775959434 WNETYIQOORHGDC-CYBMUJFWSA-N 349.394 3.304 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1 13285534 UZOYBHVFOIKSOZ-INIZCTEOSA-N 331.799 3.481 30 50 EGEA COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(O)c2)c(OC)c1 4252613 YZUGNKFMDOBYCA-FNORWQNLSA-N 344.363 3.323 30 50 EGEA C[C@@H]1CC[C@@H](CC/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)O1 328626348 LPLDHMSNBORBHC-WMEZAQDKSA-N 331.460 3.379 30 50 EGEA Cc1nsc(C)c1/C(O)=N/[C@H](C)C1(N2CCOCC2)CCCC1 328851494 VCCISAIFKVKGQX-CQSZACIVSA-N 337.489 3.098 30 50 EGEA Cc1ccc(-c2cc(NC(=O)Nc3cc(C)n(CCC#N)n3)[nH]n2)o1 253418414 SRKPSMTVGCYUFG-UHFFFAOYSA-N 339.359 3.041 30 50 EGEA CN/C(=N/C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)NCc1ccco1 241401070 NAYNUQFXHWDVSZ-PKOBYXMFSA-N 341.455 3.421 30 50 EGEA Cc1ccc(N(Cc2cn3ccccc3n2)C(=O)[C@H](C)C#N)cc1F 1875360704 GQBFIZHGCLUWRB-CQSZACIVSA-N 336.370 3.475 30 50 EGEA CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2ccncc21 199596501 PLTWOZMQRQBRMO-UHFFFAOYSA-N 344.220 3.119 30 50 EGEA in-vitro CC1(C)C(c2ccc(Cl)cc2)=[N+]([O-])[C@@]2(CCCC/C2=N\O)N1O 5046739 MKRQJVVJLNXSSG-HZGBGQKMSA-N 337.807 3.223 30 50 EGEA Cc1ccccc1C[C@@H]1S/C(=N\N=C\c2cccs2)NC1=O 4075918 HHLDEULGVNOHDE-FBJMNJBLSA-N 329.450 3.221 30 50 EGEA C=CCCC(=O)N1CC[C@]2(CCCN(CCc3ccccc3)C2=O)C1 12027728 FGTHFUPNEHUKIN-OAQYLSRUSA-N 340.467 3.036 30 50 EGEA COc1ccc(/C=C/C(=O)CC(=O)c2ccc(OC)cc2O)cc1 17779675 NZUWOAATXJDDFO-ZZXKWVIFSA-N 326.348 3.265 30 50 EGEA biogenic C#CCCC1(CCC(=O)NC[C@H](C(C)C)N2CCC(C)CC2)N=N1 2325891974 RMXGELAYGZIDLX-QGZVFWFLSA-N 332.492 3.215 30 50 EGEA Cc1cc(C#N)ccc1C(=O)NC1(c2cccc(F)c2)CCOCC1 126250253 CZTCAUWPAIPTRP-UHFFFAOYSA-N 338.382 3.442 30 50 EGEA CN(/C(N)=N/C[C@@H]1CCCN(C)[C@H]1c1cccc(Cl)c1)C1CC1 252570766 XCJFIBMJSUDHRY-YOEHRIQHSA-N 334.895 3.132 30 50 EGEA CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(C#N)s1 362993822 SULRUAGAHFJEKY-UHFFFAOYSA-N 349.406 3.102 30 50 EGEA COc1ccc(C(=O)[C@H]2CCCN(c3cccc(C#N)n3)C2)cc1F 71748156 DRCDKXQLNUACGG-AWEZNQCLSA-N 339.370 3.200 30 50 EGEA N#C[C@@]1(NC(=O)c2cc(F)c(F)cc2F)CCc2ccccc2C1 183930202 JUBAHHZPVXNZOR-GOSISDBHSA-N 330.309 3.285 30 50 EGEA CC(C)(O)C#Cc1cccc(C(=O)N2CC[C@H]2c2cccs2)c1 952868564 AKELHVWLJJANJC-INIZCTEOSA-N 325.433 3.458 30 50 EGEA CNC(=NCc1cnc(-c2ccc(C(F)(F)F)cc2)s1)NC 170649346 VYPDVSVLRLEUGO-UHFFFAOYSA-N 328.363 3.124 30 50 EGEA N#Cc1ccc(N2CCO[C@H](CCF)C2)c(F)c1Br 700576793 IEFBYBPSUFZDGB-SNVBAGLBSA-N 331.160 3.025 30 50 EGEA C#CCCC1(CCNC(=O)[C@@H]2CCO[C@H](c3cccc(F)c3)C2)N=N1 2325891377 BYQVYDZITFGHOP-WBVHZDCISA-N 343.402 3.375 30 50 EGEA CCc1cccc2c(C#N)cn(CC(=O)NCCc3ccccc3)c12 612935 GOQUUAWYFVGCOL-UHFFFAOYSA-N 331.419 3.434 30 50 EGEA CC(C)[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)c1cccnc1 119434972 WFFWTZZHIDUCDA-AWEZNQCLSA-N 329.350 3.401 30 50 EGEA Cc1cccc(OC[C@H](C)/N=C(/O)N2CCC[C@@H]2c2noc(C)n2)c1 328586900 XEPHXMOEPYSOAE-XJKSGUPXSA-N 344.415 3.205 30 50 EGEA COc1cc(F)ccc1NN=C(O)c1cnc([C@H]2CCCO2)s1 328591255 MYVFDTKJMOIBBK-LLVKDONJSA-N 337.376 3.474 30 50 EGEA COc1ccc(N2CCN(c3oc([C@H]4C[C@H]4C)nc3C#N)CC2)cc1 1775965208 MIUWAYATUKYPJE-CJNGLKHVSA-N 338.411 3.005 30 50 EGEA C[C@H](Cc1ccccc1C(F)(F)F)/N=C(/O)N1CCCOCC1 328587117 IPKACAVDJLXLHE-GFCCVEGCSA-N 330.350 3.273 30 50 EGEA C#CCCC1(CCC(=O)NCc2ccc(-c3ccccc3)nc2O)N=N1 2325899972 GTCITBLYFUYOTL-UHFFFAOYSA-N 348.406 3.426 30 50 EGEA CCCCCCCCCCCCOC(=O)/C=C/C(=O)NC(N)=O 101133788 OUWYXJOKJCFDQF-OUKQBFOZSA-N 326.437 3.202 30 50 EGEA Cc1cc(F)ccc1CN1CC(=O)N(c2ccc(C#N)cc2)C[C@H]1C 82121537 IHGQYHHYJXCDTG-OAHLLOKOSA-N 337.398 3.243 30 50 EGEA CC[C@@H]1CN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)C[C@@H](C)O1 111026898 SUOXEDWXAZCRQT-DGCLKSJQSA-N 345.468 3.192 30 50 EGEA COc1ccc(CN2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1C#N 339784467 HDJZIGBPPJRHNG-ROUUACIJSA-N 326.371 3.014 30 50 EGEA Cc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(O)cc1O 1260504 YMNINRDDCPNAGD-RQZCQDPDSA-N 326.381 3.210 30 50 EGEA C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Nc2[nH]nc(CC)c21 67676203 PBIFTMWKMXJKDR-CYBMUJFWSA-N 341.411 3.410 30 50 EGEA N#Cc1cc(N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)ccn1 253394390 GHJZZKKEIUSCBC-CJNGLKHVSA-N 333.313 3.284 30 50 EGEA C=CCOc1ccc(Cl)cc1[C@H]1CC(=O)NCc2nc(N)sc21 65488474 KOCUPPAYUSGRKP-LLVKDONJSA-N 349.843 3.095 30 50 EGEA Cc1ccccc1[C@@H]1C[C@@H](C)N(S(=O)(=O)CC(C)(C)CC#N)C1 331326039 MPVMULXNPUIOGU-HZPDHXFCSA-N 334.485 3.443 30 50 EGEA N#Cc1ncn(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)c1C#N 126215621 FOJBCEVTYFCVNQ-UHFFFAOYSA-N 343.268 3.349 30 50 EGEA N#Cc1cc(F)ccc1NC(=O)c1cn(-c2ccccc2Cl)nn1 170655715 AOCCCSSELKOMLE-UHFFFAOYSA-N 341.733 3.184 30 50 EGEA N#Cc1c(CNc2ccccc2SCC(N)=O)cn2ccccc12 193404066 BKOPKQJBZLWKKH-UHFFFAOYSA-N 336.420 3.000 30 50 EGEA Clc1ccc(OCCOc2ccccc2)c(/C=N/n2cnnc2)c1 2829849 RTUQXQAFNIERRZ-SRZZPIQSSA-N 342.786 3.272 30 50 EGEA O/C(=N/CCc1nc(-c2ccc(Cl)cc2)n[nH]1)C1=COCCC1 328591577 SMMSONROQPGWKY-UHFFFAOYSA-N 332.791 3.318 30 50 EGEA C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CN3CCC2CC3)c1 94195 ONZMAEXKDOLEOZ-GOSISDBHSA-N 327.472 3.348 30 50 EGEA O=C1c2ccccc2C(=O)N1CC#Cc1ccc(Br)cc1 392814 OJUGHUYXBRNKGN-UHFFFAOYSA-N 340.176 3.097 30 50 EGEA N#Cc1ccc(N2CCC[C@@](CO)(CCOc3ccccc3)C2)nc1 67756650 FPJMPTRUAJOFBP-HXUWFJFHSA-N 337.423 3.001 30 50 EGEA Cc1n[nH]c(C)c1CN(C)[C@@H](C(=O)O)c1ccc(C(C)(C)C#N)cc1 95368338 LIVLRVJLJHVEGT-QGZVFWFLSA-N 340.427 3.085 30 50 EGEA Cc1c([C@H](C)NCC(C)(C)N(C)C)cnn1-c1ccc(C#N)cc1 170070015 LYGJICDWJOONHM-AWEZNQCLSA-N 325.460 3.043 30 50 EGEA COC(=O)CSc1nc2c(c(-c3ccncc3)c1C#N)CCCC2 3878638 SSMZCTLPXVBFFK-UHFFFAOYSA-N 339.420 3.159 30 50 EGEA CCO[C@@H]1C[C@H](/N=C(/O)[C@@H]2CCCN2c2ccccc2)[C@@]12CCCO2 330111710 BHTQFJPHYOKINB-GNBUJSLZSA-N 344.455 3.339 30 50 EGEA CCc1nc(/C(O)=N/[C@@H](c2nc(C(C)C)no2)C2CCOCC2)co1 328611888 MZZBDBLGNIRTJS-CQSZACIVSA-N 348.403 3.216 30 50 EGEA CCSc1ncc(-c2cc(-c3ccc(C)cn3)nc(N)c2C#N)cn1 71708128 VRVBGSWDESJSBA-UHFFFAOYSA-N 348.435 3.475 30 50 EGEA CCc1nnc([C@H]2CCCN(Cc3ccc(C#N)c(F)c3)[C@H]2C)o1 952852937 PYACTUDZEZBKEJ-WFASDCNBSA-N 328.391 3.411 30 50 EGEA COc1ccnc(NC(=O)[C@H](C)CCOc2ccccc2)c1C#N 1875275108 YDCKGMLZWQEINJ-CYBMUJFWSA-N 325.368 3.006 30 50 EGEA CCc1nnc(C[C@@H]2CC[C@H](Nc3ncc(C#N)cc3Cl)C2)o1 1775957768 MIDHTJHNHXOCMB-PWSUYJOCSA-N 331.807 3.375 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H](COC)c2ccc3[nH]ccc3c2)N=N1 2325892784 CIRNWHZWBCJGSK-KRWDZBQOSA-N 338.411 3.327 30 50 EGEA C#CCCC1(CCC(=O)N[C@@](C)(CC2=CCCCC2)C(=O)OC)N=N1 2325892812 GUFTYZPFDVCQMA-SFHVURJKSA-N 345.443 3.281 30 50 EGEA C=CCOc1ccccc1C(=O)N1CCC(OC)(C(F)(F)F)CC1 416267363 VIJYDPARMYPDLB-UHFFFAOYSA-N 343.345 3.435 30 50 EGEA C=CCN1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 20311750 WSLNMVTVDIPPNG-GFCCVEGCSA-N 343.254 3.091 30 50 EGEA CC(C)OC(=O)C(=O)/C=C(/Nc1ccccc1O)c1ccccc1 100087546 GDOZYRKOHZNVMJ-FOWTUZBSSA-N 325.364 3.366 30 50 EGEA Cc1cnn([C@H]2CCCN(C(O)=Nc3cnc(C)nc3C3CC3)C2)c1 328587947 KFIWXVIOQMREEW-HNNXBMFYSA-N 340.431 3.050 30 50 EGEA CC(=O)c1cccc(N=C(O)[C@@H]2Cc3ccccc3N2C(C)=O)c1O 328596638 KISBIVQJRJUZHE-KRWDZBQOSA-N 338.363 3.161 30 50 EGEA CN1CC[C@@H](C/N=C(/O)CC[C@H]2CCCCO2)[C@@H]1c1cccnc1 328622572 IMGFKRMVWKTDHY-SCTDSRPQSA-N 331.460 3.380 30 50 EGEA COc1ccc(OC)c(-c2nc(CN3CCC[C@@H](C#N)C3)c(C)o2)c1 71751634 XTOKLMCGLYUNEW-AWEZNQCLSA-N 341.411 3.403 30 50 EGEA COc1nccc(N2CCO[C@H](c3ccc(Cl)cc3)C2)c1C#N 71767659 XHOYHQRTHGJMDJ-INIZCTEOSA-N 329.787 3.193 30 50 EGEA CNC(=O)[C@@H](C#N)C(=O)c1ccc(Sc2ccc(Cl)cc2)o1 170599417 MYBBWQWQUDZXPJ-NSHDSACASA-N 334.784 3.153 30 50 EGEA C[C@H](C/N=C(/O)[C@@H]1CCO[C@H]1c1ccnn1C)Oc1cccc(F)c1 328645919 ZULWRVGNXNFGPE-SRCQZFHVSA-N 347.390 3.061 30 50 EGEA C#CCCC1(CCNC(=O)C[C@@H]2C[C@H]2c2ccc(OC)cc2)N=N1 2325891382 CDKKRQVGJIHWJO-RDJZCZTQSA-N 325.412 3.271 30 50 EGEA C[C@H](C#N)CSc1ccccc1NC(=O)CCNC(=O)[C@@H]1C[C@H]1C 252467401 HYBDWEWLSMXGEV-MGPQQGTHSA-N 345.468 3.039 30 50 EGEA Cn1ccc(-c2cc(-c3cccn3-c3cccnc3)c(C#N)c(N)n2)c1 67513564 WOJIRXDETFJLHN-UHFFFAOYSA-N 340.390 3.394 30 50 EGEA Cc1cnc([C@@H](C)/N=C(/O)Nc2cn(C)nc2C(F)(F)F)s1 331328610 RCJSEMBTOWDEFE-SSDOTTSWSA-N 333.339 3.291 30 50 EGEA N#CCCn1ccc(NC(=O)NC2[C@H]3CC[C@H]2Cc2ccccc2C3)n1 287389654 VJXNBRFUZDTCDB-IRXDYDNUSA-N 349.438 3.112 30 50 EGEA COc1ccc(OCC2CCN(Cc3c[nH]c(C#N)c3)CC2)cc1 670453091 RAAXHOWVDAOFLT-UHFFFAOYSA-N 325.412 3.186 30 50 EGEA N#Cc1cc(C#N)cc(CNc2cccc(CN3CCCC3=O)c2)c1 2325790345 GQYZNTHIWHIENP-UHFFFAOYSA-N 330.391 3.164 30 50 EGEA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2ccc(C#N)s2)n1C 328655793 YRTHQRNAZUHESO-INIZCTEOSA-N 342.468 3.045 30 50 EGEA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]12C 257359028 XYVVSFGOAQGVRE-VBANPHMBSA-N 328.452 3.470 30 50 EGEA O=[N+]([O-])c1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1 13111800 TTZIAKNUUKCNGO-MHWRWJLKSA-N 325.353 3.398 30 50 EGEA C#CCCC1(CCC(=O)N(C)[C@@H](c2ccccc2)c2ncc[nH]2)N=N1 2325886385 UYRGKKNFBSUSGA-KRWDZBQOSA-N 335.411 3.313 30 50 EGEA COc1cccc(/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 328635449 UTNWSHXPTGWMAF-WMZOPIPTSA-N 325.412 3.088 30 50 EGEA Cc1nn(C)c2cc(N=C(O)N3CCC[C@H]3C3CCOCC3)ccc12 329798060 HNMDIJHHGXMWPL-KRWDZBQOSA-N 342.443 3.318 30 50 EGEA C=CCOc1ccc(CN2CCC[C@H](NC(C)=O)C2)cc1CC=C 820505664 QFLRUWQKIIZXGF-IBGZPJMESA-N 328.456 3.080 30 50 EGEA C#CCCC1(CCNC(=O)C2CCC(OC(F)(F)F)CC2)N=N1 1875381447 VHZBSUROFVEPFH-UHFFFAOYSA-N 331.338 3.163 30 50 EGEA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)c1cccc(C#N)c1 952870259 ZCEJBZDQUMREET-UHFFFAOYSA-N 330.347 3.282 30 50 EGEA Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc3c(c1)NC(=O)CO3)CO2 195301231 NFCLDXFGAONNBO-AUWJEWJLSA-N 335.359 3.293 30 50 EGEA C#CCCC1(CCC(=O)NCCc2coc(-c3ccccc3)n2)N=N1 2325892600 TWYXQNQOZLNKRP-UHFFFAOYSA-N 336.395 3.356 30 50 EGEA C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 105225481 GBFCWQABIOVAIP-PJIHYRLZSA-N 326.849 3.430 30 50 EGEA C[C@@H]1CCc2sc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c(C#N)c2C1 100630665 OEFZKLVDEPGSFD-AQQMGXQTSA-N 338.432 3.056 30 50 EGEA CSc1[nH]c(=O)c(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)cc1C#N 230120231 YIEJHRYILFGJAW-CORIIIEPSA-N 345.468 3.009 30 50 EGEA CCS[C@@H]1CC[C@H](/N=C(/O)N2CCC[C@H](C3(C)OCCO3)C2)C1 328593465 YHLWSBLDZXHMEZ-SOUVJXGZSA-N 342.505 3.050 30 50 EGEA CCc1cnccc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 185265740 VCJRGHJYGHYYOQ-HNNXBMFYSA-N 344.212 3.401 30 50 EGEA N#Cc1c(-c2cccc(O)c2)c(C#N)c2nc3ccccc3n2c1N 89781 PXBZSWIEIPYBPW-UHFFFAOYSA-N 325.331 3.186 30 50 EGEA O=S(=O)(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1 1386355 GXHCURFFVDKZPK-CXUHLZMHSA-N 329.208 3.306 30 50 EGEA N#Cc1ccc(N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)nc1 128195377 QEKJRCFBJQVOPI-GJZGRUSLSA-N 333.313 3.284 30 50 EGEA CCn1c(NC(=O)[C@@H]2OCCc3ccccc32)nc2cc(C#N)ccc21 131890196 ARLLPVRXYNRNDP-GOSISDBHSA-N 346.390 3.180 30 50 EGEA CC(C)(C)OC(=O)N1C[C@@H]2CC/C(=N\N=c3cc[nH]cc3F)C[C@H]2C1 1875267453 GRHFIPXKRRZOIW-XWZWKFJQSA-N 348.422 3.078 30 50 EGEA COC(=O)c1ccccc1CCn1c(C)nnc1-c1cccc(C#N)c1 170599480 GVGPBDVCLVVIJL-UHFFFAOYSA-N 346.390 3.155 30 50 EGEA C#CCCC1(CCNC(=O)C[C@@H](c2ccccc2)N2CCCC2)N=N1 2325891663 UQCWDMFXXZOGMS-SFHVURJKSA-N 338.455 3.295 30 50 EGEA CNC(=O)O[C@@H]1C=CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O1 33815021 WAFJSVJRYUCSTB-AZUAARDMSA-N 337.375 3.406 30 50 EGEA Cc1nc(C2CC(O)C2)cc(N2CCC(C#N)(c3ccccc3)CC2)n1 219887901 HIMKOUMTEBDCME-UHFFFAOYSA-N 348.450 3.085 30 50 EGEA CC(C)N1CCC(C(=O)N2CCC(C#N)(c3ccccc3)CC2)CC1 95363492 GEUCIBAWIRZEMD-UHFFFAOYSA-N 339.483 3.191 30 50 EGEA CC(C)n1cc([C@H]2OCC[C@@H]2NCc2ccc(F)c(C#N)c2)cn1 886095297 RAWNXYORXDEPJS-ZWKOTPCHSA-N 328.391 3.095 30 50 EGEA Cc1nc(I)c(C#N)c(C#N)c1-c1ccccc1 1848444056 GFUBXIXGWAGCRE-UHFFFAOYSA-N 345.143 3.405 30 50 EGEA C=CCS(=O)(=O)N1CCC[C@H](CCc2ccc(F)cc2F)C1 14948276 NZRXBJMUCYDZFJ-CYBMUJFWSA-N 329.412 3.125 30 50 EGEA COc1ccc(S(=O)(=O)O/N=C2\CCCc3ccccc32)cc1 5744838 MNNUHJVFCRWHII-ISLYRVAYSA-N 331.393 3.141 30 50 EGEA C[C@@H]1CN(C(O)=Nc2cn(Cc3ccccc3)nn2)[C@@H]2CCCC[C@H]12 330275695 LWFFLALCZKWVCX-DJIMGWMZSA-N 339.443 3.382 30 50 EGEA N#C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2)C1 426599756 PBFUVPNMQVUQFJ-AWEZNQCLSA-N 334.375 3.458 30 50 EGEA C#CCOc1cc(C(=O)N[C@@H](CC)c2cc(C)ccn2)ccc1OC 534631822 LLBHTEYCWKDANS-INIZCTEOSA-N 338.407 3.292 30 50 EGEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)N3CCCCCC3)o2)cc1 826802781 BNHUQHBAPMTVSQ-UHFFFAOYSA-N 345.424 3.086 30 50 EGEA C#CCCC1(CCC(=O)NC[C@H]2CCN(c3ccccc3F)C2)N=N1 952883007 VUXLSQLFXCKANB-OAHLLOKOSA-N 342.418 3.124 30 50 EGEA C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2C)c2ccccc21 299847 DHMKVZXCKRATBD-NRFANRHFSA-N 335.403 3.297 30 50 EGEA CN1C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O 439518 HIHOQKIDZXKGGT-ZDUSSCGKSA-N 328.368 3.184 30 50 EGEA Cn1ccnc1[C@@H]1CCN(/C(O)=N/[C@H]2CCCc3sccc32)C1 329886689 WLQJJTXMCGHVPS-OCCSQVGLSA-N 330.457 3.263 30 50 EGEA N#C[C@@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1cccc(Cl)c1 170605022 VTBHXDSBQGSWNG-MRXNPFEDSA-N 337.766 3.176 30 50 EGEA Oc1ccccc1/C=N/Nc1ncnc2c1cnn2Cc1ccccc1 5023718 NZCNCXJCNRHNEL-LSHDLFTRSA-N 344.378 3.026 30 50 EGEA CCc1ccc(OCC(=O)O/N=C(\N)c2ccc(Cl)cc2)cc1 4690044 OKVBRAUMOHRUKM-UHFFFAOYSA-N 332.787 3.145 30 50 EGEA Cc1cccc(Cn2nc(C)cc2NC(=O)c2ccc(C#N)nc2)c1 55211877 GWIIOVGXTHLYAL-UHFFFAOYSA-N 331.379 3.067 30 50 EGEA CCC(=O)C1=C(NCCc2nc3ccccc3[nH]2)CC(C)(C)CC1=O 1425779 XMRGACFURZVPAD-UHFFFAOYSA-N 339.439 3.317 30 50 EGEA C[C@@H](Nc1cnn(-c2ccccc2)c1)C(=O)NC1(C#N)CCCCC1 126049161 CXTPEKSICSXQLB-OAHLLOKOSA-N 337.427 3.015 30 50 EGEA COc1cc(/C=N\Nc2ccccc2[N+](=O)[O-])cc(OC)c1OC 31719683 IKRRFUFCPFSPDI-YVLHZVERSA-N 331.328 3.067 30 50 EGEA CC1(C)[C@@H](NCC2CCN(c3ccccc3C#N)CC2)[C@@H]2CCO[C@@H]21 369327216 PKVBRXVEQFYKMN-IHPCNDPISA-N 339.483 3.178 30 50 EGEA N#Cc1c(N)nc2c(c1-c1ccoc1)CN(CCc1ccccc1)CC2 72144458 WDRHXGWKGHKEBA-UHFFFAOYSA-N 344.418 3.396 30 50 EGEA CSc1ccccc1NC(=O)CN(C)c1nccc(C)c1C#N 241911280 UBEVKWJYUWOHGV-UHFFFAOYSA-N 326.425 3.059 30 50 EGEA CC#CC(=O)Nc1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2 286087028 XHVNDEROLJNZNT-UHFFFAOYSA-N 332.375 3.081 30 50 EGEA CO[C@@H](c1ccc(F)cc1)[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C#N 271376600 QKFKTRWFCPHLNB-MEBBXXQBSA-N 330.319 3.189 30 50 EGEA CC[C@H](c1cccnc1)N(C)C(=O)c1cccc(C#CC(C)(C)O)c1 1506402120 UMDCNJQAWSARCQ-LJQANCHMSA-N 336.435 3.427 30 50 EGEA COc1cccc(-c2nnc(S)n2/N=C/c2ccc(C)s2)c1 5969501 JMEQEYNILDSODY-CXUHLZMHSA-N 330.438 3.495 30 50 EGEA COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 12403588 BKTYVPCKKUIMQV-LICLKQGHSA-N 331.328 3.067 30 50 EGEA CC[C@H](C)/N=C/c1c(NCc2ccco2)nc2c(C)cccn2c1=O 18010064 WUPHGRKJEJGDKR-PVGUKEHMSA-N 338.411 3.425 30 50 EGEA O=C(C#C[C@H]1CCCOC1)NCCCCc1ccc(Cl)s1 1775994350 AONROLAHLXCRFU-CYBMUJFWSA-N 325.861 3.270 30 50 EGEA COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)ccc1[N+](=O)[O-] 171330379 IJIJHQMSDHWEIC-LLVKDONJSA-N 337.291 3.235 30 50 EGEA C=CCN(Cc1ccc(OC)c(CO)c1)Cc1ccccc1OC 55243517 BZVSOKIMGKFYBK-UHFFFAOYSA-N 327.424 3.384 30 50 EGEA N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 252537652 LYGRVSZXIURWDT-PCCBWWKXSA-N 345.446 3.199 30 50 EGEA COc1cccc([C@@H]2C[C@H](O)CN2Cc2ccc(F)c(C#N)c2)c1 282047045 GFQLFACQPKBLET-LPHOPBHVSA-N 326.371 3.014 30 50 EGEA Cc1ccc(Cc2ccccn2)cc1N=C(O)N1CCC(=O)[C@@H](C)C1 329109063 FVPYRWVVOQRQPB-HNNXBMFYSA-N 337.423 3.437 30 50 EGEA CN(C)/C=C(\C(=O)C(F)(F)F)c1onc(-c2ccccc2)c1C#N 29764049 CGEIJOWKMGDJBO-XFXZXTDPSA-N 335.285 3.247 30 50 EGEA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)c2cc(F)cc(C#N)c2)c1 826768238 KLYXDVQXIIXHBL-GFCCVEGCSA-N 337.354 3.465 30 50 EGEA C=CC[C@@H](C(=O)N[C@H](C)c1nc(C(F)(F)F)n[nH]1)c1ccccc1 1456397439 MWXBISIWLDPGRL-ZYHUDNBSSA-N 338.333 3.361 30 50 EGEA COc1ccc(Cl)cc1C(=O)O/N=C(\N)c1ccccc1Cl 5064150 IUTQKOCYFQEICC-UHFFFAOYSA-N 339.178 3.479 30 50 EGEA C#CCN(Cc1nc([C@@H](C)OCC)no1)[C@H]1CCc2ccccc21 245287277 BTGYZMRGFFWVID-PBHICJAKSA-N 325.412 3.290 30 50 EGEA COc1ccc(C#N)cc1CN1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 225521334 ULRPXODJRUSOOH-CRAIPNDOSA-N 344.361 3.153 30 50 EGEA COC(=O)c1cc(-c2ccc(Cl)cc2Cl)n2ncc(C#N)c2n1 6490480 SXNWZBHOTMYNIB-UHFFFAOYSA-N 347.161 3.361 30 50 EGEA Cc1ccccc1-c1cccc([C@H](C#CCCO)N2CCOCC2)c1 96140856 WZWCPAAKFBPFFN-QFIPXVFZSA-N 335.447 3.421 30 50 EGEA N#C[C@@]1(NC(=O)[C@@H]2CCOc3ccccc32)CCc2ccccc2C1 183976417 UFGIMVFNZFCUJW-WIYYLYMNSA-N 332.403 3.120 30 50 EGEA COC[C@H](NC(=O)Cc1cccc2ncccc12)c1cccc(C#N)c1 1875316874 GGOGBULAXIRNEE-FQEVSTJZSA-N 345.402 3.153 30 50 EGEA O=C(/C=C/c1ccccc1)C[C@]1(O)C(=O)Nc2ccc(Cl)cc21 565139 DJKAQRZCSJVIRP-JHTBKMLMSA-N 327.767 3.152 30 50 EGEA Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCc2ccc(C#N)cc21 240540920 GQHGWCRYPMYFNP-UHFFFAOYSA-N 346.365 3.394 30 50 EGEA N#Cc1ccc(N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)nc1 253420062 CXLKOHGNZXOYBE-INIZCTEOSA-N 330.395 3.122 30 50 EGEA Cc1occc1C(=O)N1CCC(N[C@H](C)c2ccc(C#N)cc2)CC1 373222590 CYYZGSCIOBMELU-CQSZACIVSA-N 337.423 3.415 30 50 EGEA Cc1cnn2c(N(C)CCOc3ccccc3C#N)cc(Cl)nc12 2325865365 ZPDKDEMNMPNICY-UHFFFAOYSA-N 341.802 3.078 30 50 EGEA COc1cccc([C@H]2C[C@@H](O)CN2Cc2cc(C#N)ccc2F)c1 282427596 YXBFIPLKNIBVOU-VQIMIIECSA-N 326.371 3.014 30 50 EGEA Cc1nc(-c2ccc(C#CC(C)(C)O)o2)n(-c2ccc(F)cc2)n1 65408173 XYQUBFJYRYGPKB-UHFFFAOYSA-N 325.343 3.097 30 50 EGEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)CC2(O)CCCCC2)cn1 328637907 WBRAVFMDADBYQP-DOTOQJQBSA-N 335.448 3.165 30 50 EGEA C/C(O)=N/Cc1ccc(S(=O)(=O)N2CC3(CCCCC3)C2)cc1 328754389 OAIPBBBCCMIKEG-UHFFFAOYSA-N 336.457 3.118 30 50 EGEA COc1nccc(Oc2ccc(CN3CCCC3)cc2F)c1C#N 67856602 CAUFSBSDDHCZCZ-UHFFFAOYSA-N 327.359 3.489 30 50 EGEA N#Cc1cccc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)n1 72126450 YUUKYFOIWNQXIT-HMXCVIKNSA-N 330.435 3.020 30 50 EGEA Cc1ccc(CNC(=O)C2(C#N)CCOCC2)c(OC(C)(C)C)c1 176853209 FHDXCIIJGMMBDM-UHFFFAOYSA-N 330.428 3.109 30 50 EGEA CC(C)(CNC(=O)c1ccnc(C#N)c1)c1coc(-c2ccccc2)n1 1875379082 LYIOCHYZNUFTFK-UHFFFAOYSA-N 346.390 3.316 30 50 EGEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 281045162 RMKSTBZHAXVFHV-MKXGPGLRSA-N 344.455 3.187 30 50 EGEA N#CCNC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 190742295 UGIVJMKTXKYSEB-UHFFFAOYSA-N 339.182 3.006 30 50 EGEA COc1ccc(C(=O)/C=C/c2cc(OC)c3c(c2)OCO3)cc1O 1848444127 NYUDKTSGDOWBKI-HWKANZROSA-N 328.320 3.034 30 50 EGEA COc1cccc2c1CCC/C2=N\OS(=O)(=O)c1ccc(C)cc1 5342122 OXYFQOOUOGRSNM-HTXNQAPBSA-N 345.420 3.450 30 50 EGEA N#C[C@@H](NS(=O)(=O)c1cccc(Cl)c1F)C1CCCCC1 161111645 XGRYDMCJCPFJCF-GFCCVEGCSA-N 330.812 3.230 30 50 EGEA Cc1c(/N=C/c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C 61127 WYNUPJAWGKEHGJ-XDHOZWIPSA-N 336.351 3.143 30 50 EGEA N/C(=N\OC(=O)c1ccc(Br)o1)c1ccccc1Cl 4689649 WSJCAMISEFUWHH-UHFFFAOYSA-N 343.564 3.173 30 50 EGEA CCc1cc(N2CCC[C@@H](Nc3cc(C)nc(C)c3C#N)C2)ncn1 160709698 CRMCMENVBLOBFG-MRXNPFEDSA-N 336.443 3.003 30 50 EGEA C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)/C(=C\CO)CC[C@H]12 257356033 FIMYJWIQTVIDQB-UIFQABLQSA-N 328.452 3.184 30 50 EGEA CC(C)(O)C#Cc1ccc(C(=O)NCc2ccc(F)cc2Cl)o1 952988153 OJYYFXIXANTILB-UHFFFAOYSA-N 335.762 3.125 30 50 EGEA N#C[C@H]1CC[C@@H](CC(=O)Nc2ccc(NC(=O)C3CCC3)cn2)C1 2325797270 KAQMTPCBXHQSAO-OLZOCXBDSA-N 326.400 3.089 30 50 EGEA CC(=O)NC[C@@H]1CCCN(Cc2ccc(-c3ccccc3C#N)o2)C1 67856807 XWJACTRGPQCDRT-INIZCTEOSA-N 337.423 3.166 30 50 EGEA CCOc1cc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)ccc1O 71774785 AMNOSQUKVSJFEG-UHFFFAOYSA-N 349.394 3.016 30 50 EGEA COc1cc(NC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc(OC)c1 293931269 YWJBTWSEQFAWRK-RHSMWYFYSA-N 329.444 3.272 30 50 EGEA Cc1ccc2c(c1Br)N(C(=O)CSCC#N)CCC2 863947299 PCRLXVXELBYQKW-UHFFFAOYSA-N 339.258 3.294 30 50 EGEA Sc1nnc(COc2ccccc2)n1/N=C/C=C/c1ccco1 2318345 VXVVMRDWWQCBQD-KGUOSTGJSA-N 326.381 3.286 30 50 EGEA O=C1C[C@H](C(=O)Nc2ccc(F)cc2)S/C(=N/c2ccccc2)N1 13552690 VMCBSUJRIDQQNW-CQSZACIVSA-N 343.383 3.074 30 50 EGEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(Cc2nccs2)C1 1875246497 PSRQYLDBXBROAT-OAHLLOKOSA-N 343.452 3.314 30 50 EGEA C#CCCC1(CCNC(=O)c2ccc3c(c2)OC(C)(C)CC3=O)N=N1 2325899930 FDEFIZDXZSAQPC-UHFFFAOYSA-N 339.395 3.126 30 50 EGEA CN1C(=O)C[C@H](c2ccc([N+](=O)[O-])cc2)C2=C1CC(C)(C)CC2=O 226719 IDPPEDDMOJOGDC-CYBMUJFWSA-N 328.368 3.184 30 50 EGEA Cc1cc(=NC[C@H](c2cccnc2)N2CCCCC2)[nH]c(C)c1C#N 2356156936 XLKMVPSCEBPJEC-LJQANCHMSA-N 335.455 3.026 30 50 EGEA Cc1ccc(CN2CCN(/N=C/c3ccc([N+](=O)[O-])cc3)CC2)cc1 20188809 DMNHFELRKXRCRA-XSFVSMFZSA-N 338.411 3.055 30 50 EGEA C=CCC1(OCc2ccccc2)CCN(C(=O)[C@H]2CC[C@@H](N)C2)CC1 72447627 RMAVZWMVLOZRHT-RBUKOAKNSA-N 342.483 3.268 30 50 EGEA C[C@H](c1nncn1C)n1ccnc1-c1ccc(-c2ccccc2C#N)o1 72157525 IOFUZCAFMPNNOG-CYBMUJFWSA-N 344.378 3.420 30 50 EGEA C=CCN(C)Cc1cccc(OC[C@H](O)CN(C)C2CCCCC2)c1 95520041 USLGSIDOVTVDGE-HXUWFJFHSA-N 346.515 3.309 30 50 EGEA O=C(c1cccs1)[C@H]1CCCN(Cc2cc(C#CCO)cs2)C1 828644583 HBSUQGRLBBMROY-HNNXBMFYSA-N 345.489 3.248 30 50 EGEA C[C@H](C#N)C(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 952891180 BPQFKQCUOGPHHB-CYBMUJFWSA-N 338.386 3.148 30 50 EGEA O=C1C[C@@H](c2cc(Br)ccc2F)C2=C(CCCC2=O)N1 1430818 QQWPKJLOVPEESH-JTQLQIEISA-N 338.176 3.199 30 50 EGEA COC(=O)c1sc(NC(=O)[C@]2(C)CC2(Cl)Cl)c(C#N)c1C 2872523 ZMZBCHAVWIPFRQ-LBPRGKRZSA-N 347.223 3.237 30 50 EGEA C=C[C@](C)(C[C@H]1C[C@H]2CC[C@H]1C2)OC(=O)C[C@H]1CCS(=O)(=O)C1 252515996 PEILSFBSOICGPW-IMSKVBIZSA-N 340.485 3.125 30 50 EGEA CCn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/[C@H]1COc2ccccc21 328645966 ZWNUYZQDWHSMOG-JKIFEVAISA-N 327.384 3.071 30 50 EGEA Cc1ccnc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)c1 184066159 OSZARAOHQCUESV-UHFFFAOYSA-N 335.411 3.006 30 50 EGEA C=CCN(C)C(=O)Nc1cc(I)ccc1C 408514233 FDBUSDCECXWBDY-UHFFFAOYSA-N 330.169 3.249 30 50 EGEA Cc1ccn(CC(=O)Nc2sc(-c3ccccc3)cc2C#N)c(=O)c1 195365088 NMLVKWRJHGKOAZ-UHFFFAOYSA-N 349.415 3.396 30 50 EGEA C#CCCCC1(CCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO)N=N1 1501018173 CNCJUDANJBAFRY-WOKGBUJHSA-N 335.492 3.310 30 50 EGEA CC1(C)OB(c2ccc3c(cnn3Cc3ccccc3)c2)OC1(C)C 223848264 GZOGMBDEHYOGCS-UHFFFAOYSA-N 334.228 3.384 30 50 EGEA Oc1cccc(/C=N/n2c(S)nnc2-c2ccccc2Cl)c1 1275475 ITYYKSKAESJCPJ-RQZCQDPDSA-N 330.800 3.475 30 50 EGEA CC(=O)Oc1ccc(/C(C)=N/N2CCN(c3ccccc3)CC2)cc1 5602623 HXZOUTQQYKRRPT-LTGZKZEYSA-N 337.423 3.158 30 50 EGEA C=CCC1(CC=C)CCCN1C(=O)c1ccccc1NCC(=O)O 55358292 NHVWZQCTLGEYRG-UHFFFAOYSA-N 328.412 3.310 30 50 EGEA COc1ccc(Cc2noc([C@@H](/N=C(/C)O)C3CCOCC3)n2)cc1 328645929 ZUUPYEDUJVPTGL-KRWDZBQOSA-N 345.399 3.113 30 50 EGEA C/N=C(/NC[C@@H]1CCOC1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 119587834 DSYUYPBZFPLATN-DOTOQJQBSA-N 343.471 3.025 30 50 EGEA C#C[C@H](NC(=O)c1cccc(N[C@@H](C)C(C)C)c1C)[C@H]1CCOC1 241383415 MVENGQQUOYMHOL-BQFCYCMXSA-N 328.456 3.220 30 50 EGEA Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 4912437 LQNSGIGYVVTMSN-GFCCVEGCSA-N 328.368 3.150 30 50 EGEA CCn1cc(-c2cc(-c3cc4ccccn4c3)nc(N)c2C#N)cn1 71746204 WJIOCPMEVBJNOR-UHFFFAOYSA-N 328.379 3.339 30 50 EGEA CC(=NNS(=O)(=O)c1ccc(C)cc1)[C@H]1C[C@@H]1c1ccccc1 252678269 CYTXZSSGRJWZNE-QZTJIDSGSA-N 328.437 3.453 30 50 EGEA C=CCN(c1ccc(C(=O)Nc2cccc(F)c2)cc1)S(C)(=O)=O 5051142 ZSTJZIOXVWLBJF-UHFFFAOYSA-N 348.399 3.030 30 50 EGEA C=C(Cl)Cn1c(=O)c(CNC2CC2)cc2cc(OC)c(OC)cc21 12100286 SDQVHKXTVDLOMH-UHFFFAOYSA-N 348.830 3.023 30 50 EGEA Cc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(C(=O)O)cc2)c1 6055689 ANWPKKBVWULHRK-VCHYOVAHSA-N 338.392 3.497 30 50 EGEA O/C(=N/[C@@H]1CCOC2(CCCCC2)C1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 330205369 CJOMXPQLBKUPDL-TWMKSMIVSA-N 336.476 3.330 30 50 EGEA C=CCCc1ccccc1NC(=O)N[C@H]1CCO[C@]2(CCOC2)C1 331579599 OTDXPGIJVLZYDB-QFBILLFUSA-N 330.428 3.265 30 50 EGEA COc1ncccc1-n1ccnc1-c1ccc(C#CC(C)(C)O)s1 72144584 QEUIXPPDWLPCMO-UHFFFAOYSA-N 339.420 3.127 30 50 EGEA N#CC1(c2ccccc2)CCN(C(=O)NCC[C@H]2CCCOC2)CC1 534639964 BXPJLNOSZGHFAW-QGZVFWFLSA-N 341.455 3.070 30 50 EGEA CC[C@](C)(C#N)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 225552960 RKHHUYUPTSWUNP-CQSZACIVSA-N 338.289 3.177 30 50 EGEA C=CCC(=O)N1CC[C@]2(CCCN(CCC3CCCCC3)C2=O)C1 12703883 VBEYHWNOKLHWNT-HXUWFJFHSA-N 332.488 3.374 30 50 EGEA CCOc1ccc(-c2nc(C#N)c(N3C[C@H](C)O[C@H](C)C3)o2)cc1 17949195 MRKYPOSHYHJRRX-BETUJISGSA-N 327.384 3.226 30 50 EGEA C[C@@H](/N=C(/O)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2)c1ncon1 328602890 DBBNQXQJFXLVOC-IDHHARJASA-N 340.427 3.389 30 50 EGEA O=C(/C=C/c1ccnn1CC1CC1)c1nc(Br)cs1 864086137 BTGCOZQZIAADBI-ONEGZZNKSA-N 338.230 3.408 30 50 EGEA Cc1nnc([C@H]2CCCN(Cc3cn4ccccc4c3C#N)[C@H]2C)o1 886077700 GHUZIXJGDRCNIE-BBRMVZONSA-N 335.411 3.271 30 50 EGEA Cc1nc(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)ccc1C#N 230123839 OPGOUVZSYIKUNB-ZXYWRSMDSA-N 335.407 3.252 30 50 EGEA C=CCN[C@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)O 6293466 UZLRNQCFQBIUIM-QGZVFWFLSA-N 340.379 3.036 30 50 EGEA C=CCn1ncc(-c2c(C#N)c(N)nc3c2Cc2cc(O)ccc2-3)c1C 71763998 YTWHKQPXNNGIPA-UHFFFAOYSA-N 343.390 3.170 30 50 EGEA Cc1cc(Br)c2c(c1)CCCN2C(=O)CSCC#N 863947260 HMDYLPTUHUNFSP-UHFFFAOYSA-N 339.258 3.294 30 50 EGEA CC(C)c1noc([C@H](Nc2ncccc2C#N)C2CCOCC2)n1 275487866 VYJWHZHAIYBGRC-CQSZACIVSA-N 327.388 3.039 30 50 EGEA N#CC1(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)CCCC1 304218022 CQDFTOSCSGCKTP-QGZVFWFLSA-N 330.403 3.182 30 50 EGEA Cc1cc2nc(N/C(N)=N/C(=O)c3ccccc3)nc(C)c2cc1C 4187574 OYVBVMJMWOSKAH-UHFFFAOYSA-N 333.395 3.122 30 50 EGEA N#Cc1ccnc(N2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)c1 67457960 ABTTWDQHAMWJIH-IBGZPJMESA-N 341.842 3.428 30 50 EGEA O/C(=N/CCn1ccnc1)N1CCCC[C@H]1c1ccc(F)cc1F 328588533 SBNLSTYDAVMKTJ-INIZCTEOSA-N 334.370 3.303 30 50 EGEA CCc1ncc(/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)s1 328636498 VMWBBNQQVDJJOH-BBRMVZONSA-N 330.457 3.098 30 50 EGEA N#Cc1cc(F)ccc1CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 179506673 XFFZPQCDRBJSQH-AWEZNQCLSA-N 325.391 3.072 30 50 EGEA C=CCN1C[C@H](C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)CC1=O 952961053 CWXCVVWEUKNPNW-GOSISDBHSA-N 340.467 3.336 30 50 EGEA C=C(C)CN(CC)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 15066669 WDQXFPNKJDZKOI-UHFFFAOYSA-N 344.367 3.021 30 50 EGEA C[C@](C#N)(/N=C(/O)CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2)C1CC1 328655394 YHUNLZATLMUQBA-VQIMIIECSA-N 341.459 3.074 30 50 EGEA Cc1ccc(C#N)c(N2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)n1 91780290 WYXGBDOLDQNFCC-FQEVSTJZSA-N 338.455 3.023 30 50 EGEA CC(C)[C@H](C(=O)Nc1ccc(Oc2ncccc2C#N)cc1)N(C)C 170664824 DJDNHDWKRWYCAN-QGZVFWFLSA-N 338.411 3.270 30 50 EGEA COc1ccc(/C(C)=N\N2CCN(c3ccccc3)CC2)cc1OC 136592 JNDRMBUOAAASLC-PGMHBOJBSA-N 339.439 3.250 30 50 EGEA COc1cc(OC)cc(C(=O)O/N=C2/CCc3cc(OC)ccc32)c1 5090944 ADPVFDGLBFBNDI-ZZEZOPTASA-N 341.363 3.220 30 50 EGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)cc1 19285941 ZKWLPRVCZKURKF-GOSISDBHSA-N 341.407 3.226 30 50 EGEA Cc1cccc(/C(N)=N/OC(=O)COc2ccc3ccccc3c2)c1 4590967 DIKNATFSSPUFTR-UHFFFAOYSA-N 334.375 3.391 30 50 EGEA C#Cc1cccc(OCC(=O)N[C@@H](C)C(=O)c2ccc(Cl)cc2)c1 2325853477 QMDUZEMGMDDFGS-ZDUSSCGKSA-N 341.794 3.088 30 50 EGEA CC(C)NC1CCN(c2ccc(C3OCCO3)c(Cl)c2C#N)CC1 252509988 YZOGCBQVINZGFQ-UHFFFAOYSA-N 349.862 3.224 30 50 EGEA C=CCc1ccc(OC[C@@H](O)CN2[C@@H](C)CCC[C@H]2C)c(OC)c1 4173838 BUXZZUGYOMPIKM-JZXOWHBKSA-N 333.472 3.426 30 50 EGEA COCC1(CNc2ccc(C(F)(F)F)cc2C#N)CCNCC1 261816821 GYBPTPUCLWIADD-UHFFFAOYSA-N 327.350 3.005 30 50 EGEA CC(=O)C1(c2ccccc2)CCN(C(=O)c2cccc(C#N)c2)CC1 72434922 XEPIMSPQRPTDQY-UHFFFAOYSA-N 332.403 3.321 30 50 EGEA C#CCCC1(CCNC(=O)c2nc(OC(C)C)ccc2Cl)N=N1 1875381168 MGTZSQJAZBYHNH-UHFFFAOYSA-N 334.807 3.218 30 50 EGEA Cc1onc(CC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c1C#N 408513908 USCKYJCFLPMJQL-IBGZPJMESA-N 335.407 3.466 30 50 EGEA N#C[C@@H](C(=O)c1noc2c1CCCCC2)c1cnc2ccccc2n1 190944502 LLYJFRWBBDVSCJ-CYBMUJFWSA-N 332.363 3.377 30 50 EGEA O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1 13377934 VWHYFMQKJYFLCC-DUXPYHPUSA-N 328.364 3.200 30 50 EGEA biogenic,in-vitro CCCN1CCC(/N=C(\S)Nc2ccc(C(=O)OCC)cc2)CC1 8682728 VVEQNUNNUYVLKO-UHFFFAOYSA-N 349.500 3.435 30 50 EGEA C[C@H]1CN(c2ccccc2NC(=O)N[C@@H]2CCC[C@H]2C#N)C[C@@H](C)O1 252512358 POBOQUQRPIILEY-XUWVNRHRSA-N 342.443 3.114 30 50 EGEA COc1cc(/C=N\Nc2nc3ccccc3[nH]2)cc(OC)c1OC 31939347 WXJUGVRDGAAXMB-ZDLGFXPLSA-N 326.356 3.035 30 50 EGEA Cc1nc(NC(=O)c2nc3cccnc3s2)sc1SCC#N 241911205 UAOFAMPAQNGOBF-UHFFFAOYSA-N 347.450 3.324 30 50 EGEA Cc1ccccc1-n1cc(-c2cc([C@@H]3CCOC3)c(C#N)c(N)n2)cn1 71753844 UVCLBGHGUJIULG-CQSZACIVSA-N 345.406 3.201 30 50 EGEA CC(C)CCN1C[C@@]2(CCCN(c3ccc(C#N)cn3)C2)CCC1=O 77319113 CZQDKSWTBXMJRM-FQEVSTJZSA-N 340.471 3.208 30 50 EGEA CN(C)C[C@H]1[C@@H]2CN(C(=O)c3cccc(-c4cccc(C#N)c4)c3)C[C@H]12 426535481 MGYUKHBODFGBDY-MZADTFQBSA-N 345.446 3.105 30 50 EGEA N#Cc1cccnc1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 170087684 ZNTVVMFUIXHCPN-UHFFFAOYSA-N 342.207 3.202 30 50 EGEA O=C(/C=C/c1ccc(-n2cncn2)cc1)c1cc([N+](=O)[O-])ccc1F 225793100 GPKIOMYTEWSPPT-FPYGCLRLSA-N 338.298 3.211 30 50 EGEA Cc1ccc(S(=O)(=O)N/N=C(/S)Nc2cccc(C)c2C)cc1 13545179 PCKPNNCZCZLAGY-UHFFFAOYSA-N 349.481 3.203 30 50 EGEA CC(C)(C)OC(=O)N1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21 169991401 JNLQPCDEHQJZLY-UHFFFAOYSA-N 345.248 3.283 30 50 EGEA C[C@@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)c1cccs1 155236931 UMGBMMHFQDHJBJ-NVXWUHKLSA-N 339.464 3.261 30 50 EGEA CCOc1ccc([C@@H](O)C2CCN(c3ccncc3C#N)CC2)cc1 365705714 VGYBQLSGYKEGJB-HXUWFJFHSA-N 337.423 3.302 30 50 EGEA Cc1c(C#N)cccc1N=C(O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 328586781 QKRLCJXUNYXVAN-FUHWJXTLSA-N 339.370 3.359 30 50 EGEA COc1cccc(/C=N/n2c(-c3ccccc3F)n[nH]c2=S)c1O 1269218 XQVSIQQXXXGKQW-GIJQJNRQSA-N 344.371 3.343 30 50 EGEA COc1ccccc1/C=C/C=N/n1c(S)nnc1-c1ccncc1 2327699 ZETJWUYSOZVRMV-CMHRUIPMSA-N 337.408 3.185 30 50 EGEA COc1ccc([C@H]2CC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 353878 JKKRIPGPWQBCTA-CQSZACIVSA-N 343.423 3.293 30 50 EGEA OCC#Cc1ccc(CN2CCc3[nH]c4ccc(F)cc4c3C2)s1 67803553 UQKOUFAEJQEADS-UHFFFAOYSA-N 340.423 3.271 30 50 EGEA CC1(C)OB(c2ccc(F)c(CNCc3ccccc3)c2)OC1(C)C 170007489 QAXRGTFKOYVELH-UHFFFAOYSA-N 341.235 3.415 30 50 EGEA CC(=O)C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1 450241 IHILZCUTYQDRNT-LBPRGKRZSA-N 334.784 3.286 30 50 EGEA C=CCc1cccc(C(C)C)c1NC(=O)N1CCN2CCOC[C@@H]2C1 253427548 CNAAVUYYXYQPHA-KRWDZBQOSA-N 343.471 3.087 30 50 EGEA C=CC[C@@]1(CO)CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 91444880 KPKSNHMAURLSRQ-LJQANCHMSA-N 327.403 3.438 30 50 EGEA COc1ccccc1-n1ncc(C(=O)N(C)c2cccc(C#N)c2)c1C 194753916 CQPPCZRXTOVOOH-UHFFFAOYSA-N 346.390 3.338 30 50 EGEA CCOC(=O)[C@H](C#N)[C@@]1(c2ccc(OC)cc2)CCOC(C)(C)C1 209737 GHWOYMJONOHRTR-LPHOPBHVSA-N 331.412 3.225 30 50 EGEA Cc1ccc(CN2CCN(/N=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 33314795 LVTSHKAPFSMDRC-XSFVSMFZSA-N 338.411 3.055 30 50 EGEA C[C@H](N[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1cccc(C#N)c1 340621998 UAHIOBSXZNPMGP-JXFKEZNVSA-N 333.435 3.052 30 50 EGEA N#CC1CCN(Cc2ccc(OCc3ccc(C(=O)O)o3)cc2)CC1 97259139 PKLMKZXZSPRNSB-UHFFFAOYSA-N 340.379 3.292 30 50 EGEA C=CCNC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 162378035 QMRCTYVKMQSQIP-UHFFFAOYSA-N 349.188 3.339 30 50 EGEA CC1(C)CN(c2ccnc(C#N)n2)[C@@H]1c1nccn1-c1cccc(F)c1 952892492 DGYCTTRXFBLIQV-QGZVFWFLSA-N 348.385 3.261 30 50 EGEA N#Cc1cnc(NCc2cccc(COC3CCOCC3)c2)c(F)c1 413146796 PGZUZCHSFMKLEM-UHFFFAOYSA-N 341.386 3.400 30 50 EGEA Cc1ncsc1CCN1CCC(Oc2cccc(C#N)c2)CC1 172534545 LFHCRALQBITMQJ-UHFFFAOYSA-N 327.453 3.409 30 50 EGEA C=CCn1c(=S)sc2c(=O)[nH]c(-c3ccc(OC)cc3)nc21 4572586 RDXGBEXUGPKMNJ-UHFFFAOYSA-N 331.422 3.377 30 50 EGEA CN(C)Cc1csc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)c1 67489795 IUNWEPBJKKTOGU-UHFFFAOYSA-N 337.452 3.331 30 50 EGEA Cn1ccnc1[C@@H]1CCN(C(O)=Nc2ncc(C(C)(C)C)s2)C1 328777012 CXIBVFMMEVAUQK-LLVKDONJSA-N 333.461 3.209 30 50 EGEA N#CC1(C#N)[C@@H](Cc2ccccc2)O[C@@]23CCCC[C@H]2[C@@]1(C#N)C(=N)O3 245325596 GFOHRJRQVKEVJH-ACZWYYKOSA-N 346.390 3.065 30 50 EGEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1CC(=O)Nc1cn(C)nc1C 1704312489 DJGIGZWKOQNEMD-IRXDYDNUSA-N 328.460 3.208 30 50 EGEA C=CCS(=O)(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1 11842993 IXZSYTFXWAHVFO-CYBMUJFWSA-N 329.412 3.125 30 50 EGEA N#CCc1ccc(NS(=O)(=O)Cc2c(F)cccc2Cl)cc1 16579178 PBBYZGOODGSZPM-UHFFFAOYSA-N 338.791 3.487 30 50 EGEA COc1ccc(SC[C@@H](O)COc2ccc(CC#N)cc2)cc1 408512825 AQUYVBCBXNLZOU-HNNXBMFYSA-N 329.421 3.293 30 50 EGEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)c2cc(C(C)C)on2)cn1 328629643 PBJIUXZJNSUSSU-XJKSGUPXSA-N 332.404 3.239 30 50 EGEA C#CCCC1(CCC(=O)N2CCC[C@@H](n3ccnc3CCC)C2)N=N1 2325892783 CGKOUDVQZWJRKJ-MRXNPFEDSA-N 341.459 3.355 30 50 EGEA C[C@H](C(=O)c1ccc(-c2ccccc2)cc1)[n+]1cccc(C(N)=O)c1 4714731 XJIOGGFMZMCBFA-OAHLLOKOSA-O 331.395 3.184 30 50 EGEA C=CCN(Cc1cnc(NC(C)C)nc1)Cc1ccccc1OC 55196210 QVYCYJJLWDECHW-UHFFFAOYSA-N 326.444 3.494 30 50 EGEA OC(=Nc1cccc2c1CN(c1ccccn1)C2)N=c1cc[nH]cc1F 328587406 NGRBAEHPLBGYBA-UHFFFAOYSA-N 349.369 3.215 30 50 EGEA Cn1cc(/C(O)=N/Cc2cc3ccccc3o2)c([C@@H]2CCOC2)n1 328621258 HQFHCLREFHNICG-CYBMUJFWSA-N 325.368 3.175 30 50 EGEA N#Cc1cc(C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)ccc1F 377098104 PWLQJQVFPVGNCW-QGZVFWFLSA-N 346.365 3.338 30 50 EGEA Cc1c(C#N)c(N2CCO[C@H](c3ccccn3)C2)nc2ccccc12 1149805368 JUFYZKAASMFJAY-IBGZPJMESA-N 330.391 3.388 30 50 EGEA COc1ccccc1/C=N/N1CCN(Cc2ccc(C)cc2C)CC1 19799329 MSSJYHQUIGCUPW-PXLXIMEGSA-N 337.467 3.464 30 50 EGEA COC(=O)/C(O)=C/C(=O)c1ccc(OCc2ccccc2)c(C)c1 169795018 UWVOFOBIZWYIMR-BOPFTXTBSA-N 326.348 3.372 30 50 EGEA Cn1c(B2OC(C)(C)C(C)(C)O2)cc2c(Br)cccc21 206176291 SZYWMGQUPHNMFQ-UHFFFAOYSA-N 336.038 3.240 30 50 EGEA Cc1ccoc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 225550256 IJZFFAHEFFBZBW-UHFFFAOYSA-N 337.379 3.423 30 50 EGEA CC(=O)N[C@H]1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918375 IGQWGSCTFRUHTN-OBQKJFGGSA-N 343.467 3.202 30 50 EGEA C#CCCC1(CCC(=O)N(Cc2ccccc2)C2CCNCC2)N=N1 2325900849 LIGNNBNUUKRJSN-UHFFFAOYSA-N 338.455 3.123 30 50 EGEA N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3CO)cc2)c1 118544595 ABPROONZXOZRBA-MRXNPFEDSA-N 337.379 3.339 30 50 EGEA C=CCOc1ccc(C(=O)N[C@@H](C)c2nc(CC)no2)cc1OCC 55401076 NDFAMDXWXYLMJJ-LBPRGKRZSA-N 345.399 3.087 30 50 EGEA COc1ccccc1[C@H]1CC[C@H](C)CN1S(=O)(=O)CCCC#N 285427088 WGGYQSZKLLTNFR-GOEBONIOSA-N 336.457 3.102 30 50 EGEA C#CCOc1cccc([C@H](C)NC2CCN(c3nccs3)CC2)c1 952991761 XPXHINIGLMHMGB-HNNXBMFYSA-N 341.480 3.475 30 50 EGEA C[C@H](c1cccc(C#N)c1)N1CCN([C@H]2CCCc3c2cnn3C)CC1 170602826 QUSPEJMTMOXGFE-IERDGZPVSA-N 349.482 3.048 30 50 EGEA N#Cc1ccc(N2CCC[C@H](NC(=O)Cc3ccsc3)C2)c(F)c1 109304229 GFXLTWNSVBJRHF-HNNXBMFYSA-N 343.427 3.087 30 50 EGEA Cc1ccccc1OC/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1 617159 VZPHJENDSOWIEZ-UHFFFAOYSA-N 339.800 3.373 30 50 EGEA Cc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2C(=O)O)c1 6055713 LJGSPWCEIPASPI-VCHYOVAHSA-N 338.392 3.497 30 50 EGEA C#CCN1C(=O)S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O 12342648 KTKLYYZHBLRDHP-UXBLZVDNSA-N 328.176 3.369 30 50 EGEA Cc1cccc(OCC(=O)O/N=C(\N)Cc2ccc(Cl)cc2)c1 18116858 XJBFXZHSQFDVTP-UHFFFAOYSA-N 332.787 3.085 30 50 EGEA N#Cc1ccc(N2CCO[C@H](c3cccc(Br)c3)C2)cn1 176881887 DIHJSZKHAMBNPR-INIZCTEOSA-N 344.212 3.294 30 50 EGEA C/C(=N\N=c1\[nH]c(-c2ccccc2)cs1)c1c(O)cc(O)cc1O 43761276 JWZOADOSNQGIHZ-VXLYETTFSA-N 341.392 3.185 30 50 EGEA N#CCCCC(=O)N[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 1463526474 JYJKEOUEFWKEOR-INIZCTEOSA-N 339.361 3.003 30 50 EGEA CC(C)(C)OC(=O)n1cnc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 169991651 RPBPVRDAROETEF-UHFFFAOYSA-N 344.220 3.119 30 50 EGEA in-vitro N#CCc1ccc(OC[C@@H](O)CNCc2cccc3occc23)cc1 2325756815 UWGYUGAZGGZHPT-KRWDZBQOSA-N 336.391 3.028 30 50 EGEA COc1ccccc1C=NN1CCN(Cc2ccc(C)cc2C)CC1 244724374 MSSJYHQUIGCUPW-UHFFFAOYSA-N 337.467 3.464 30 50 EGEA C=CC[C@H](C(=O)N[C@H](C)c1nc(C(F)(F)F)n[nH]1)c1ccccc1 1456397436 MWXBISIWLDPGRL-PWSUYJOCSA-N 338.333 3.361 30 50 EGEA Cc1nc(N/N=C2/C(=O)Nc3ccccc32)c2c3c(sc2n1)CCC3 13123299 RHAHLXBWBBZLBX-UHFFFAOYSA-N 349.419 3.257 30 50 EGEA Cc1cc(C(=O)O/N=C(\N)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 4682070 XRKANVUGEZYQJW-UHFFFAOYSA-N 333.731 3.034 30 50 EGEA Cc1nc(-c2cccc(Cl)c2)[nH]c1C(=O)[C@@H](C#N)c1nccn1C 2325859625 DMSAOIPVOQNWTQ-CYBMUJFWSA-N 339.786 3.262 30 50 EGEA C#CCCC1(CCNC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)N=N1 2325891593 PLUKXQJAJPPPOJ-OAHLLOKOSA-N 325.412 3.413 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 4728283 GESKFUHCDXOIMG-MRXNPFEDSA-N 331.799 3.481 30 50 EGEA N/C(=N\OC(=O)c1ccccc1CCc1ccccc1)c1ccncc1 4832195 GXVHAJSSABFUHH-UHFFFAOYSA-N 345.402 3.344 30 50 EGEA CC(=O)[C@@H]1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N\c1cccc(F)c1 101405238 VCDXOPRMVXIJHU-XZKWLNOSSA-N 326.283 3.256 30 50 EGEA N/C(=N\c1nc(=O)cc(-c2ccccc2)[nH]1)Nc1cccc(Cl)c1 20064258 UXMAJEXFVXBZSF-UHFFFAOYSA-N 339.786 3.149 30 50 EGEA OC[C@H](Cc1ccncc1)/N=C(/O)c1cccc(C(F)(F)F)c1F 328594677 JDSBHBSSUAWUCO-NSHDSACASA-N 342.292 3.148 30 50 EGEA N#Cc1c(-c2ccc(Cn3cccn3)cc2)cc(-c2ccc[nH]2)nc1N 71639394 MVBOXCIQFCSVTM-UHFFFAOYSA-N 340.390 3.442 30 50 EGEA CCOC(=O)c1cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2s1 170007830 RSLOHJHPBJXFTK-UHFFFAOYSA-N 332.230 3.377 30 50 EGEA N#Cc1ccc(N2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)nc1 67804454 ZXVDZBIRGXWYOV-LJQANCHMSA-N 343.377 3.053 30 50 EGEA C[C@@H](C1CC1)n1cc(N=C(O)N2CCN(C)c3ccccc3C2)cn1 328596270 ZRRAZNSEAWSVQV-AWEZNQCLSA-N 339.443 3.352 30 50 EGEA OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 48520671 BYKNGMLDSIEFFG-UHFFFAOYSA-N 332.084 3.420 30 50 EGEA in-vitro CC#CC(=O)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 408515931 RNVOYNSCHXIBNC-MRXNPFEDSA-N 343.224 3.267 30 50 EGEA CN(C)/N=C(\C[C@@H]1OC(=O)c2ccccc21)c1ccccc1[N+](=O)[O-] 5668087 YETXSPHHBAWZMS-BYFYWULKSA-N 339.351 3.162 30 50 EGEA Cn1cncc1Cn1ccc(-c2cccc(-c3ccc(C#N)cn3)c2)n1 19114082 DIMQCNCMYGIDNT-UHFFFAOYSA-N 340.390 3.266 30 50 EGEA C=CCn1c(=O)c(C(=O)Nc2ccccc2F)c(O)c2ccccc21 6492938 OHHBUFYJSWJWRX-UHFFFAOYSA-N 338.338 3.285 30 50 EGEA CCOC(=O)c1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1 555425 KZNCPVGPVZRQSH-UHFFFAOYSA-N 347.374 3.328 30 50 EGEA C=CCOc1ccc(C(=O)N[C@@H](C)[C@@H]2COc3ccccc3O2)cc1 2090205 MSNMEVMJLUCFLP-LIRRHRJNSA-N 339.391 3.210 30 50 EGEA biogenic COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 4728285 GESKFUHCDXOIMG-INIZCTEOSA-N 331.799 3.481 30 50 EGEA CCOc1cc([C@H](C#N)N2CCO[C@@H](c3ccccc3)C2)ccc1O 170594281 HCLZRSWNXNLSIT-FXAWDEMLSA-N 338.407 3.429 30 50 EGEA O=C(O)CCC/C=C1/C[C@@H]2[C@@H](C#CC3(O)CCCCC3)[C@H](O)C[C@H]2C1 64858012 LGIPMFCHTFFLFR-LWPJEIPKSA-N 346.467 3.273 30 50 EGEA in-vitro N#Cc1cccc(CN2CC[C@@H](CNC(=O)C3CCCCC3)C2)c1 67787253 QUWDBHLAGIJMTP-SFHVURJKSA-N 325.456 3.077 30 50 EGEA CC1(C)OB(c2ccc(OCc3ccccc3)c(F)c2O)OC1(C)C 170006353 RVOXIDGFXQLVAW-UHFFFAOYSA-N 344.191 3.410 30 50 EGEA C[C@H](C(O)=Nc1ccc(F)c(F)c1)N1CCC[C@H](n2cccn2)C1 328721993 XFMZBLBSQADLRB-OCCSQVGLSA-N 334.370 3.475 30 50 EGEA CC1(C)[C@H]2CC[C@@]1(C)[C@H](/N=C(/O)c1cn(C3CCOCC3)nn1)C2 329509553 JQZVPXODDVXZNQ-PNPHSEOMSA-N 332.448 3.149 30 50 EGEA Cc1nc(S)sc1CC(=O)N[C@H](CCC#N)c1ccccc1 153688030 CVFKDFUPZDTOJB-CYBMUJFWSA-N 331.466 3.444 30 50 EGEA COc1ccc2c(c1)OCC/C(=C\c1ccc(OC)c(O)c1)C2=O 364940780 JZVQKJJBXLHSGM-UKTHLTGXSA-N 326.348 3.458 30 50 EGEA CO[C@H]1Cc2ccccc2N(C(=O)c2cc(C#N)ccc2Cl)C1 367641684 FBZFKBLOCMBCNO-AWEZNQCLSA-N 326.783 3.430 30 50 EGEA C=CCN1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CCC1=O 15069270 OZDWKQOOUJYPRN-UHFFFAOYSA-N 346.858 3.009 30 50 EGEA Cc1ccccc1CN(C)S(=O)(=O)c1ccc(Cl)cc1C#N 360630478 WNAURLUCTPBPEK-UHFFFAOYSA-N 334.828 3.341 30 50 EGEA Cn1cncc1[C@@H]1C[C@@H](/N=C(/O)Cn2ccc3ccccc32)CCO1 328614905 AOFCTFLJRXQFQL-YJBOKZPZSA-N 338.411 3.252 30 50 EGEA N#Cc1cccnc1N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 72436162 BLGNZGRHSQRGNF-AWEZNQCLSA-N 347.344 3.448 30 50 EGEA Cc1ccc(C#N)c(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1 160687981 MYXQFUBSDLAIEU-UHFFFAOYSA-N 348.237 3.290 30 50 EGEA CC1(C)OB(c2ccc(C(=N)CCCn3ccnc3)cc2)OC1(C)C 228899624 WCTHIQTZTYTYHQ-UHFFFAOYSA-N 339.248 3.031 30 50 EGEA Cc1ccc2c(c1)C(=NO)C(=O)[N+]2CCOc1ccc(Cl)cc1 343516949 NYUXYOSHBQPWKO-UHFFFAOYSA-N 330.771 3.218 30 50 EGEA C=C[C@@H]1C[N@@+]2(C)CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 252441360 SJTSZVLGFLZBFK-VSKCBJGSSA-N 339.459 3.318 30 50 EGEA CC(C)O[C@]1(c2nnc(/C=C/c3ccccc3C#N)o2)CCOC1 886082296 UJGQEGRDDSJTQB-LKGOPFMKSA-N 325.368 3.152 30 50 EGEA C=CCN(C)C(=O)[C@H](CCCCCC(C)=O)NC(=O)OC(C)(C)C 408521927 ALCNSGSLGOKIFL-HNNXBMFYSA-N 340.464 3.064 30 50 EGEA N#C[C@@H](C(=O)c1ccc(O[C@@H]2CCOC2)cc1)c1nc2ccccc2[nH]1 408515098 NVTNODMEPKKOIN-CVEARBPZSA-N 347.374 3.221 30 50 EGEA COc1ccc(N2/C(=C/C(C)=O)NC(=O)c3c(C)cc(C)nc32)cc1 4498044 FVXZQZYCRIPCMH-MHWRWJLKSA-N 337.379 3.019 30 50 EGEA C#CCCC1(CCNC(=O)c2cc(C)n(Cc3ccncc3)c2C)N=N1 2325891090 PYCMTNIQKLWTIX-UHFFFAOYSA-N 349.438 3.244 30 50 EGEA CCOC(=O)[C@H](C#N)[C@]1(Cc2ccccc2)C[C@@H](C)N(C)C[C@H]1C 1201076 ISTLFIQBNBWVQL-HBXLWWENSA-N 328.456 3.278 30 50 EGEA CCCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc1OCC 4180570 DLUJNLVKFDCVPR-SFHVURJKSA-N 346.427 3.481 30 50 EGEA Cc1cscc1/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1nccs1 328626561 FFCWIHGBUIDMET-RYUDHWBXSA-N 339.461 3.430 30 50 EGEA Cc1cccc(/C(N)=N/OC(=O)COc2cccc3ccccc23)c1 5044206 JNQWHUDAUFXNMO-UHFFFAOYSA-N 334.375 3.391 30 50 EGEA C[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2C#N)C1 572069 HMFHQOHXPARWLI-QMMMGPOBSA-N 331.353 3.498 30 50 EGEA O=C1C[C@H](c2ccc(F)c(Br)c2)C2=C(CCCC2=O)N1 4035136 MTZZTRDCNCCHMR-SECBINFHSA-N 338.176 3.199 30 50 EGEA C=CCN1C(=O)[C@@]2(NCCc3c2[nH]c2ccc(C)cc32)c2ccccc21 20064217 SDAUBHXFSFYAAR-JOCHJYFZSA-N 343.430 3.398 30 50 EGEA biogenic CCn1cc([C@H]2OCC[C@@H]2/N=C(/O)c2cccc3c2CCC3)cn1 329808408 AQFLGLJTANRQPK-ZWKOTPCHSA-N 325.412 3.227 30 50 EGEA N#Cc1ccccc1C(=O)N[C@@H](c1ccc(F)cc1F)[C@H]1C[C@@H](O)C1 243892979 ANAOCIVPOMRMOM-UVBSCNOISA-N 342.345 3.078 30 50 EGEA Cc1cc(C#N)cnc1C(=O)Nc1c(C)nn(-c2cccc(F)c2)c1C 1875254968 SGQMVFZAMJGDCQ-UHFFFAOYSA-N 349.369 3.456 30 50 EGEA Cc1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1-c1ncco1 191550410 PWXQPWLYWQCWJH-UHFFFAOYSA-N 336.355 3.404 30 50 EGEA C[C@@H](O)c1nc2cc(-n3ccnc3-c3ccccc3C#N)ccc2n1C 1772810218 JDHSXHHBCRIVLV-CYBMUJFWSA-N 343.390 3.351 30 50 EGEA C#CCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 4033517 ZSGDDZJSTUITAM-QGZVFWFLSA-N 329.403 3.186 30 50 EGEA C#CCCC1(CCC(=O)N[C@H](COC)c2ccc3[nH]ccc3c2)N=N1 2325892785 CIRNWHZWBCJGSK-QGZVFWFLSA-N 338.411 3.327 30 50 EGEA COc1ccccc1[C@@H]1C[C@H]1NC(=O)[C@H](C)Oc1ccccc1C#N 248381365 SWANXWKAMIWCIQ-RRQGHBQHSA-N 336.391 3.006 30 50 EGEA C=CCN(Cc1ccccc1OC)C(=O)c1ccc(NC(C)=O)cc1 55370143 JOFBDXWRHLYGKK-UHFFFAOYSA-N 338.407 3.482 30 50 EGEA C/C(O)=N/C[C@@H]1CCN(C(=O)COc2cccc3ccccc23)C1 328591907 SNPROKLYSFCQEB-HNNXBMFYSA-N 326.396 3.044 30 50 EGEA N#Cc1cccnc1N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 280444016 KPJUJJSZKPSCCM-WFASDCNBSA-N 333.313 3.284 30 50 EGEA COc1nc(C)c(-c2cccc(CN3CCOCC3)c2)c(C)c1C#N 67872225 SEKDWQOJDSQORZ-UHFFFAOYSA-N 337.423 3.078 30 50 EGEA CCC(=O)Nc1cccc(-c2cc([C@H]3CCOC3)c(C#N)c(N)n2)c1 71736321 UHUPMXLCGRPCPW-ZDUSSCGKSA-N 336.395 3.055 30 50 EGEA N#Cc1c(-c2ccc(CO)o2)cc(-c2cc3ccccn3c2)nc1N 71748402 ZDWXKVUIZRXVRS-UHFFFAOYSA-N 330.347 3.207 30 50 EGEA CCCCNC(=O)CN(C)C(=O)c1cccc(-c2ccccc2C#N)c1 426518879 ZMBXDZXPSJUNMQ-UHFFFAOYSA-N 349.434 3.214 30 50 EGEA Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 245226650 HFFAZLHMEAXMCV-ZVXVWASGSA-N 345.402 3.007 30 50 EGEA C#C[C@H](NC(=O)c1cccc(N[C@H](C)C(C)C)c1C)[C@@H]1CCOC1 170600953 MVENGQQUOYMHOL-NUJGCVRESA-N 328.456 3.220 30 50 EGEA Cc1nc(C2CCN(C(=O)c3ccc4[nH]cc(C#N)c4c3)CC2)[nH]c1C 2325784847 ODBSUWFWNXYYPD-UHFFFAOYSA-N 347.422 3.399 30 50 EGEA C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCN(C)C 541536 KJTABBACNPGWOT-UHFFFAOYSA-N 333.439 3.370 30 50 EGEA N#Cc1c(N)nc2c(c1-c1ccnn1-c1ccccc1)N1CCC2CC1 101769029 CURBBZWIILMRHS-UHFFFAOYSA-N 342.406 3.086 30 50 EGEA Cc1ccc(I)c(Oc2cnc(C#N)cn2)c1 126181113 UUMCHBUZHBWEOU-UHFFFAOYSA-N 337.120 3.054 30 50 EGEA CCCn1cc(-c2cc(-c3[nH]c(CC)nc3C)c(C#N)c(N)n2)c(C)n1 71499220 HZMOLRPKAQNQQG-UHFFFAOYSA-N 349.442 3.378 30 50 EGEA CN(C)CCOc1cccc(-c2cc(-c3ccco3)nc(N)c2C#N)c1 67642993 NOJWAMWUNNINLD-UHFFFAOYSA-N 348.406 3.403 30 50 EGEA C=CCNC(=O)/C(=C/c1ccc(C)cc1)NC(=O)c1ccc(C)cc1 2677853 NQTSNJKBUDWLSW-RGEXLXHISA-N 334.419 3.377 30 50 EGEA C=CCN1C(=O)[C@H]2C3c4ccccc4C(C)(c4ccccc43)[C@H]2C1=O 233536 YITKMVZUCLEHOZ-LECRGTDLSA-N 329.399 3.239 30 50 EGEA N#Cc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(F)c1 2888879 PXBGGTPBCKFFKW-UHFFFAOYSA-N 342.311 3.468 30 50 EGEA C=CCN1C(=O)/C(=C2/C(=O)Nc3ccc(Cl)cc32)SC1=S 2904184 XCXDHKTVCUUOPC-KHPPLWFESA-N 336.825 3.050 30 50 EGEA COc1ccc(/C(N)=N/OC(=O)c2ccc(C)c(Cl)c2)cc1OC 4802736 XNFMYAVEKZLUNG-UHFFFAOYSA-N 348.786 3.143 30 50 EGEA N#Cc1ccnc(N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)c1 343242514 KULOLGWBDFDHIG-GJZGRUSLSA-N 333.313 3.284 30 50 EGEA C[C@@H]1CCc2sc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c(C#N)c2C1 248336179 OEFZKLVDEPGSFD-DQJMSKHYSA-N 338.432 3.056 30 50 EGEA N#Cc1cccc(C2(NC(=O)c3ccc(C4OCCO4)cc3)CC2)c1 408523044 OGGOHVZAGBICKQ-UHFFFAOYSA-N 334.375 3.023 30 50 EGEA CC1(C)OB(c2cnc(OCc3ccccc3)c(F)c2)OC1(C)C 169989597 NPCDRYABULDPRH-UHFFFAOYSA-N 329.180 3.099 30 50 EGEA CC(C)c1cc(/C(O)=N/[C@@H]2CCCN(CC(F)(F)F)C2)cc(O)n1 330612123 PVWYESLXAWWXEE-GFCCVEGCSA-N 345.365 3.242 30 50 EGEA C#CCCC1(CCNC(=O)c2cccc([C@H]3CCCN(C)C3)c2)N=N1 2325891709 WXVDSGMFCBAANH-SFHVURJKSA-N 338.455 3.191 30 50 EGEA C#CCCC1(CCC(=O)NCCN2CC(C)(C)c3ccccc32)N=N1 2325900097 KRMHWCLYZOIYTC-UHFFFAOYSA-N 338.455 3.256 30 50 EGEA COc1nccc(N2CCC3(CC2)OCCc2ccsc23)c1C#N 2356162216 CAFGCRNFOZAKJM-UHFFFAOYSA-N 341.436 3.092 30 50 EGEA O=C(COc1cccnc1)N(CC#Cc1ccccc1)C1CCCC1 55054451 VBDIOBCASBQEQQ-UHFFFAOYSA-N 334.419 3.283 30 50 EGEA C=CCNc1ccccc1C(=O)N(C)C[C@H]1CC(=O)N(C(C)(C)C)C1 55211484 FHNURELCTQVGLO-OAHLLOKOSA-N 343.471 3.004 30 50 EGEA Cn1ccc(-c2cc(-c3cccn3-c3ccncc3)c(C#N)c(N)n2)c1 67790591 DKNLNCGPUAIHJQ-UHFFFAOYSA-N 340.390 3.394 30 50 EGEA Cc1csc(NC2CCN(/C(O)=N/Cc3ccccc3)CC2)n1 328588432 GRBGQOCJDZFOGP-UHFFFAOYSA-N 330.457 3.442 30 50 EGEA N#Cc1cc2c(nc1NC(=O)c1cc3ccccc3c(=O)o1)CCCC2 253396088 YVZCTIDBFVKTGQ-UHFFFAOYSA-N 345.358 3.191 30 50 EGEA CCCOc1ccccc1/C=N/NS(=O)(=O)c1ccc(C)cc1 2897732 BFPQNGVGJHBPLH-QGOAFFKASA-N 332.425 3.096 30 50 EGEA Cc1nc([C@H]2CCCN2C(O)=Nc2cc(Cl)cc3c2OCC3)no1 328594026 JPQJPSBWOZJTIL-CYBMUJFWSA-N 348.790 3.349 30 50 EGEA O=C(Nc1ccccc1C#Cc1ccccc1)N1CC[C@](F)(CO)C1 338427611 YFLILXRFHSFPIN-HXUWFJFHSA-N 338.382 3.025 30 50 EGEA Cc1cccc(C#N)c1S(=O)(=O)N[C@@]1(c2ccccc2)CC1(C)C 1309720354 GMLXMFLXHHAQNC-LJQANCHMSA-N 340.448 3.470 30 50 EGEA Cc1cccc(-c2cc[n+](CC(=O)c3ccccc3[N+](=O)[O-])cn2)c1 5711133 HEHGNOZINKGCHE-UHFFFAOYSA-N 334.355 3.136 30 50 EGEA CC1(C)OB(c2cccc3c2cnn3[C@@H]2CCCCO2)OC1(C)C 169982314 NWAGHQGLQLEDIZ-INIZCTEOSA-N 328.221 3.035 30 50 EGEA COc1cncc(/C=C/C(=O)OCC#Cc2ccc(Cl)cc2)c1 2325729637 BGKBUUSNSZEKNP-RMKNXTFCSA-N 327.767 3.352 30 50 EGEA C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H](O)Cc1ccccc1Cl 425120775 BABCLNDBYXDVIR-UGSOOPFHSA-N 342.826 3.335 30 50 EGEA CC(C)(C)N1C[C@@H](C(O)=Nc2csc(-c3ccncc3)n2)CC1=O 328790070 YPCXWOFVMZVURX-LBPRGKRZSA-N 344.440 3.440 30 50 EGEA O=S1(=O)CCC[C@H](C/C(O)=N/[C@H]2CSc3ccccc32)C1 328889427 QPGUJKFPICDKPQ-YPMHNXCESA-N 325.455 3.005 30 50 EGEA Cc1ccc(Cc2ccccn2)cc1N=C(O)N1CC[C@H](O)[C@H](C)C1 329228837 CBKVADQJKSPRNB-BEFAXECRSA-N 339.439 3.229 30 50 EGEA N#Cc1cccnc1N1CCC[C@H](C(=O)c2cc(F)ccc2F)C1 71775815 BHTQZLTZSGYWEV-ZDUSSCGKSA-N 327.334 3.331 30 50 EGEA CC(C)(C)OC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F 238791276 CXGZDMCJLSDHIM-UHFFFAOYSA-N 337.200 3.472 30 50 EGEA O=C1C=C[C@H]2[C@H](c3cccc4c3OCO4)C[C@H]1N2Cc1ccccc1 252502421 UQDRHOFDAIMBIQ-OKZBNKHCSA-N 333.387 3.281 30 50 EGEA CC[C@H](NC(=O)c1ccc(C#CC(C)(C)O)o1)c1ccc(OC)cc1 1506402609 UGKXKRMJMNEGMQ-KRWDZBQOSA-N 341.407 3.292 30 50 EGEA O=C1COc2ccc(/C=C3/CCOc4ccc(F)cc4C3=O)cc2N1 189434993 MESRUEDFWVMXHC-GHXNOFRVSA-N 339.322 3.205 30 50 EGEA CCCCCCCN1CCN(C[C@@H]2CCC(=O)N(C(C)C)C2)CC1 1775981792 IJBHRUJCOLNTHK-IBGZPJMESA-N 337.552 3.221 30 50 EGEA N#Cc1cccnc1N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 128256678 PDBYCCVVOOCCRF-GJZGRUSLSA-N 333.313 3.284 30 50 EGEA O/C(CN1CCC2(CC1)OCCO2)=N\c1cc(Cl)ccc1Cl 82098397 AHPGYBGYDLFQJF-UHFFFAOYSA-N 345.226 3.420 30 50 EGEA COCc1cc(C)nc(SCC(=O)Nc2cccc(F)c2)c1C#N 4413903 FJZGPMJCPIQMEM-UHFFFAOYSA-N 345.399 3.278 30 50 EGEA Cc1cccc(CS(=O)(=O)c2oc(-c3ccccc3)nc2C#N)c1 170623807 KDPMPBPKEXDZOT-UHFFFAOYSA-N 338.388 3.496 30 50 EGEA C=C[C@@](C)(C=O)C[C@@H]1O[C@@H](C#N)[C@@]23C(=O)CC[C@@H]2CC[C@@H](C)[C@@]13C 71786307 BWHCUUHAFYWNOR-DHGLPVBRSA-N 329.440 3.460 30 50 EGEA C[C@@H](C(O)=Nc1ccc(F)c(F)c1)N1CCC[C@@H](n2cccn2)C1 328721991 XFMZBLBSQADLRB-GXTWGEPZSA-N 334.370 3.475 30 50 EGEA CN(Cc1cccc(Nc2cnc(C#N)cn2)c1)Cc1cscn1 124416877 BCHOOHZGGSJTID-UHFFFAOYSA-N 336.424 3.180 30 50 EGEA COc1ccc(-c2nc(N)c(C#N)c(-c3cnc(C)n3C)c2C)cc1 71754649 PZEXVPSJDMIGLH-UHFFFAOYSA-N 333.395 3.228 30 50 EGEA CC(C)(C)OC(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 169955839 SUTPCHZGPJIFEN-UHFFFAOYSA-N 333.237 3.011 30 50 EGEA in-vitro CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1ncc(C#N)cc1Cl 190417044 MWMYYGIIUUZZAU-KBPBESRZSA-N 331.807 3.155 30 50 EGEA O=[N+]([O-])c1cccc(/C=N/CC/N=C/c2cccc([N+](=O)[O-])c2)c1 17746511 LCDWIXVPDSNHCZ-JYFOCSDGSA-N 326.312 3.041 30 50 EGEA CC1(C)OB(c2ccc(NC(=O)N3CCCCC3)c(F)c2)OC1(C)C 405158609 ZNGQCYUKPHYRAG-UHFFFAOYSA-N 348.227 3.143 30 50 EGEA C=CCOc1ccccc1CN1CCN(CCC(C)C)[C@H](CCO)C1 104554022 PFWNJULCQSMFFU-HXUWFJFHSA-N 346.515 3.166 30 50 EGEA C=CCOc1cc(Cl)c(CN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)cc1OC 820491570 WFVFWNLEIOEMPD-MDBPOYHNSA-N 348.874 3.096 30 50 EGEA N#Cc1ccc(N2CCC[C@@H](Cn3cncn3)C2)c(C(F)(F)F)c1 150837376 INDIWJJIKHZWJK-CYBMUJFWSA-N 335.333 3.085 30 50 EGEA COc1nccc(N2CCC3(CC2)OCCc2sccc23)c1C#N 2356134571 SJAKNYUJWNFVIZ-UHFFFAOYSA-N 341.436 3.092 30 50 EGEA Cc1cc(C)c(C#N)c(N2CCC[C@]3(CCc4cnc(C)nc43)C2)n1 2356159377 XWOOQADGZTYAQK-FQEVSTJZSA-N 333.439 3.153 30 50 EGEA C/C(O)=C1\C(=O)[C@H]2c3c[nH]c4cccc(c34)C[C@@H]2C(C)(C)N(C)C1=O 101145329 WJCPGKDPOYBOOJ-QXBIRMTDSA-N 338.407 3.076 30 50 EGEA OCC#Cc1csc(-c2nccn2-c2cnc3ccccc3c2)c1 72172694 SHAKHKGZUQBDKT-UHFFFAOYSA-N 331.400 3.493 30 50 EGEA CCOC(=O)C1(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)CC1 181843777 TVVJIRTUVAVUCW-LLVKDONJSA-N 341.194 3.018 30 50 EGEA COc1ccc2[nH]c(C(=O)N[C@@H](C#N)c3ccccc3OC)cc2c1 170605027 ZYENRUVGLIFSPK-KRWDZBQOSA-N 335.363 3.180 30 50 EGEA COC(=O)c1occc1/C=N/Nc1ncnc2sc3c(c12)CCC3 170618780 DVLCHFMQGNRADU-FBCYGCLPSA-N 342.380 3.006 30 50 EGEA N#Cc1ccc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)nn1 301969545 QMGWCOSQVXPTPG-LBPRGKRZSA-N 325.441 3.068 30 50 EGEA Cc1ccccc1OCC(=O)O/N=C(\N)Cc1ccc(Cl)cc1 13154685 YSBMZEWRLALNAE-UHFFFAOYSA-N 332.787 3.085 30 50 EGEA COc1ccccc1N1CCN(/N=C(\C)c2ccc(F)cc2)CC1 4746460 LUAVXCXQUHDOGS-RCCKNPSSSA-N 327.403 3.381 30 50 EGEA Cc1cccc(OC[C@H](C)/N=C(/O)N2CCC[C@H]2c2noc(C)n2)c1 328586899 XEPHXMOEPYSOAE-BBRMVZONSA-N 344.415 3.205 30 50 EGEA CO[C@]1(C)CCCN(/C(O)=N/[C@H](C)c2nc(C(C)(C)C)no2)CC1 328588381 DIQOZDYRLTYAMW-SJKOYZFVSA-N 338.452 3.233 30 50 EGEA C[C@@H]1[C@@H](N2C[C@@H](C(=O)Nc3cccc(C#N)c3)CC2=O)CCC[C@H]1C 240668158 HMPYZYPZCIPARC-OAOQPFQOSA-N 339.439 3.170 30 50 EGEA C=C(C)COc1ccccc1NC(=O)NCC1(Cn2cccn2)CC1 96165214 ZPTCKPLGBBQQRO-UHFFFAOYSA-N 340.427 3.440 30 50 EGEA CC(C)C(=O)C1=Cc2cc([N+](=O)[O-])ccc2O[C@@H]1N1CCCCC1 22064811 LGIMNUYWIJRUDW-SFHVURJKSA-N 330.384 3.408 30 50 EGEA Cc1cccc(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 377511346 NDPOPJLMJQBSBJ-UHFFFAOYSA-N 347.462 3.144 30 50 EGEA N#Cc1cccc(/C=C/C(=O)N2CCC(Cc3ccccn3)CC2)c1 171611222 XXLZEZVIBGMHKE-BQYQJAHWSA-N 331.419 3.448 30 50 EGEA O=[N+]([O-])c1ccccc1/C=C/C=N/N1CCN(c2ccccc2)CC1 2223133 BEAQJIZBMQSFLV-HOGMWEGNSA-N 336.395 3.416 30 50 EGEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)cc2)cc1 4901368 BZNVVDOHNVVNMT-LICLKQGHSA-N 326.381 3.204 30 50 EGEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)/C(O)=N/C(C1CC1)C1CC1 328615614 AYXMYAATBFSZLF-HKUYNNGSSA-N 342.487 3.109 30 50 EGEA CC[C@@H]1CN(C(=O)c2ccc(-c3ccc(C#N)cc3C)cc2)CCN1 584885256 XHERKTIYEFXYPQ-LJQANCHMSA-N 333.435 3.358 30 50 EGEA C=C1CC(c2noc([C@]3(C#N)CCCN(C(=O)OC(C)(C)C)C3)n2)C1 1875291386 XJMKKGHDORPAHY-SFHVURJKSA-N 344.415 3.295 30 50 EGEA COc1ccc(-c2cc(-c3ccc4c(c3)OCO4)[nH]c(=O)c2C#N)cc1 12370982 RGYOJPRQLDKJGK-UHFFFAOYSA-N 346.342 3.318 30 50 EGEA biogenic,in-vitro COc1ccc(/C=C2/S/C(=N/c3ccc(O)cc3)NC2=O)cc1 15722703 ACYPWCBMXGKTQA-XNTDXEJSSA-N 326.377 3.292 30 50 EGEA CCc1ccsc1/C(O)=N/[C@@H](c1nc(C)no1)C1CCOCC1 328615436 YKFCPYOMUFDXEK-CYBMUJFWSA-N 335.429 3.474 30 50 EGEA C#CCCC1(CCNC(=O)C[C@@H](N)c2ccc(C(C)C)cc2)N=N1 2325900826 KPGNSMQQZKYWES-QGZVFWFLSA-N 326.444 3.282 30 50 EGEA C=CCOc1ccc(C(=O)N[C@@H](C)[C@H]2COc3ccccc3O2)cc1 2090202 MSNMEVMJLUCFLP-IFXJQAMLSA-N 339.391 3.210 30 50 EGEA biogenic C=CCn1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1 10148853 GMMLHIGPVATDEE-UHFFFAOYSA-N 329.747 3.025 30 50 EGEA N#Cc1ccc(NC(=O)NC[C@@H]2CCN(c3ccccc3F)C2)cc1 365802442 ZUBRSFSCLFAZIY-HNNXBMFYSA-N 338.386 3.345 30 50 EGEA CC(C)(C#N)CC(=O)N1C[C@H](COc2ccccc2)OC(C)(C)C1 285035460 NHBMJKNSFUQHJE-MRXNPFEDSA-N 330.428 3.011 30 50 EGEA COc1ccc(F)cc1-c1cc(-c2c(C)n[nH]c2C)nc(N)c1C#N 71404192 OORMWWJQKARTDT-UHFFFAOYSA-N 337.358 3.357 30 50 EGEA O=C1C(=O)c2c(C(=O)c3ccccc3)coc2C=C1Br 2075173 XABKEHWUESXUHI-UHFFFAOYSA-N 331.121 3.012 30 50 EGEA COc1ccc(NC(=O)CSc2nc(C)c(C)cc2C#N)cc1 6709732 NHPLGOLQVNYCJW-UHFFFAOYSA-N 327.409 3.310 30 50 EGEA CCCOC(=O)N1CCC[C@@]2(CCN(Cc3cccc(C#N)c3)C2)C1 67714351 IKMCSNVJJHHAQV-FQEVSTJZSA-N 341.455 3.393 30 50 EGEA O=C1CCC(c2ccccc2)=C1CC(=O)N1CCC(c2cc[nH]n2)CC1 952974107 SRSLOBLSHHMQAN-UHFFFAOYSA-N 349.434 3.323 30 50 EGEA CN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169794519 MWNMXMKLILKYOS-UHFFFAOYSA-N 333.237 3.357 30 50 EGEA in-vitro C=C1CCN(c2ncc3nc(N4CCC(=C)CC4)sc3n2)CC1 2325805984 KAIHBTYYXAFPJT-UHFFFAOYSA-N 327.457 3.399 30 50 EGEA C#CCCC1(CCC(=O)Nc2ccc(C)c(O[C@H]3CCOC3)c2)N=N1 2325892401 LZENGELCASUWQL-INIZCTEOSA-N 341.411 3.457 30 50 EGEA COc1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 148136 PAZGRMLCQJNGAD-UHFFFAOYSA-N 339.358 3.489 30 50 EGEA CC(C)(C#N)NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 1774891 CINGXKHGZFMCNT-UHFFFAOYSA-N 331.375 3.207 30 50 EGEA N#CCCN(Cc1ccccn1)C(=O)c1cc(-c2ccccc2)[nH]n1 349435838 YOBZKPZPMNZLRQ-UHFFFAOYSA-N 331.379 3.028 30 50 EGEA Cc1ccc(-c2nc(N)c(C#N)c(-c3cccc(OCCO)c3)c2C)o1 71748618 LJDXITIBJSHORL-UHFFFAOYSA-N 349.390 3.450 30 50 EGEA Cc1cc(C)c(/C(N)=N/OC(=O)/C=C/c2ccccc2)c(Cl)n1 4771519 ANZXAONKHOYPLJ-CMDGGOBGSA-N 329.787 3.229 30 50 EGEA CC(C)Oc1ccc(N2C(=O)[C@H]3CCCCCN3C2=O)cc1C#N 370356578 CCKJAXNVHAPGOI-OAHLLOKOSA-N 327.384 3.057 30 50 EGEA COC(=O)C[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccsc1 218256202 XJYBJLOAEXJMGM-ZDUSSCGKSA-N 342.372 3.286 30 50 EGEA N#Cc1ccc(N2CCC(C(=O)NC[C@@H]3CC[C@@H](F)C3)CC2)c(F)c1 1875276967 RSIGACRLXFGHQV-GDBMZVCRSA-N 347.409 3.168 30 50 EGEA CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)SCC1=O 350505 OABXCTVIHHNKFA-UHFFFAOYSA-N 332.208 3.496 30 50 EGEA CC(=C1C(=O)c2ccccc2C1=O)N1CCN(c2ccccc2)CC1 525784 UKRJXBMSBIUKGN-UHFFFAOYSA-N 332.403 3.162 30 50 EGEA Cc1cc(N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)c(C#N)cn1 685940869 YGEWZLYURYGCDT-KXBFYZLASA-N 335.411 3.080 30 50 EGEA C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccncc2)on1 130212076 RQXFSLFEAWNKDZ-UHFFFAOYSA-N 344.374 3.437 30 50 EGEA CCOC(=O)CC(=O)CSc1nc(-c2cccs2)ccc1C#N 3088168 TVIPIMXRXQDSPO-UHFFFAOYSA-N 346.433 3.296 30 50 EGEA C=CCOC(=O)COc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 2994275 CLMOKNLZGHILAC-UHFFFAOYSA-N 340.331 3.063 30 50 EGEA O=C1C[C@H](c2cccc(O)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 4520708 POCQRVFBQCBVFQ-TZMCWYRMSA-N 339.416 3.458 30 50 EGEA C=CCN(CC=C)C(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 12343628 OULOPXBRNTUTGS-UHFFFAOYSA-N 346.858 3.393 30 50 EGEA CC#CC(=O)N(C)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 12713863 ZVEQFPKFVNDGHQ-KRWDZBQOSA-N 332.875 3.076 30 50 EGEA CC(C)c1cc(CN(C)C(=O)c2ccc(C#CC(C)(C)O)cc2)on1 223863261 UXFIXKSZMKDKEV-UHFFFAOYSA-N 340.423 3.193 30 50 EGEA Cc1nc(CN2CCCN(c3ccc(F)cc3C#N)CC2)cs1 266185029 BBCSRRZCXYRFMZ-UHFFFAOYSA-N 330.432 3.175 30 50 EGEA C=CCc1cc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CCC)ccc1OC 216507150 MUDVXQVKUYIVQB-MOPGFXCFSA-N 342.483 3.257 30 50 EGEA COC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 118916 MUEIBUHFCMKAMK-UHFFFAOYSA-N 341.750 3.415 30 50 EGEA N#Cc1ccccc1CN1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 1565506600 NISUNRFURXSHCO-BEFAXECRSA-N 338.480 3.111 30 50 EGEA Cc1cc(O)c(C(=O)/C=C/c2c(F)c(F)c(F)c(F)c2F)c(=O)o1 6418420 CRBBJWGAICUESA-NSCUHMNNSA-N 346.207 3.245 30 50 EGEA C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)c2C#N)C1 239309436 HPOIRISOGRLPBD-RAIGVLPGSA-N 344.436 3.350 30 50 EGEA C[C@H](NC(=O)N[C@H](C)[C@H]1COc2ccccc21)c1ccc(C#N)cc1 241160558 JYGSKFAFUWYYME-PMUMKWKESA-N 335.407 3.483 30 50 EGEA C=C(C)COc1ccccc1C(=O)N[C@H](C)c1cn2ncsc2n1 55327800 ARQAFSPKUYHDMI-GFCCVEGCSA-N 342.424 3.237 30 50 EGEA C=C(C)[C@@H]1CC=C(CN2CCC(c3nn(C)c(=O)n3CC)CC2)CC1 67881451 NKLSIPZMHHXMMI-QGZVFWFLSA-N 344.503 3.084 30 50 EGEA OC1=N[C@H](/C(O)=N/CCc2cc(C(F)(F)F)ccn2)CCCC1 328593278 MEUDUOMOAYMREV-LBPRGKRZSA-N 329.322 3.499 30 50 EGEA CC(C)[C@H]1CN(C(=O)c2ccccc2C#N)CCCN1CC1CC1 71765526 JDHCFZHFZVWMTI-LJQANCHMSA-N 325.456 3.141 30 50 EGEA N#Cc1cccc(-c2ccc(C(=O)N3CCN4CCC[C@H]4C3)cc2)c1 426412269 KYNPLQYSMZFYFW-FQEVSTJZSA-N 331.419 3.145 30 50 EGEA C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1O 187113911 INOJVPSIVOUVHQ-UMVBOHGHSA-N 333.457 3.363 30 50 EGEA C=CCC(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 12749940 FNJQSKMYOZWQNY-OAHLLOKOSA-N 332.419 3.037 30 50 EGEA COc1cc(C#N)ccc1OC[C@H]1CCCN(c2nccs2)C1 1857719064 BUGIOJXXMQVHHJ-AWEZNQCLSA-N 329.425 3.319 30 50 EGEA C=C(C)[C@@H]1OCCC[C@H]1C(=O)OCCOc1cncc(Cl)c1 2325779571 PATVTSCEOOYFJU-CABCVRRESA-N 325.792 3.028 30 50 EGEA Cc1cccnc1CN(C)[C@H](C(=O)O)c1ccc(C(C)(C)C#N)cc1 95382114 KCOQJJDUYTYFGM-SFHVURJKSA-N 337.423 3.449 30 50 EGEA Cc1cccc(C#N)c1S(=O)(=O)N[C@]1(c2ccccc2)CC1(C)C 1309720352 GMLXMFLXHHAQNC-IBGZPJMESA-N 340.448 3.470 30 50 EGEA C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 2887111 GDERJKYMNDTYKO-UHFFFAOYSA-N 336.457 3.034 30 50 EGEA CN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)c1cccc(C#N)c1 55061102 YZJXZHQKEXAVJH-UHFFFAOYSA-N 334.354 3.360 30 50 EGEA C[C@@H]1CC[C@H](CC/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)O1 328626349 LPLDHMSNBORBHC-XZKMEQPCSA-N 331.460 3.379 30 50 EGEA Cn1nccc1C/N=C(/O)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2 328603303 FNMTZEXHOIWFIT-YLJYHZDGSA-N 338.455 3.179 30 50 EGEA CCCOc1cccc(-c2cc(-c3cnn(C)c3)c(C#N)c(N)n2)c1 71746180 BNXGVRAGMQRWAZ-UHFFFAOYSA-N 333.395 3.392 30 50 EGEA COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3ncccc3c2)c1 179612702 TZLWFHQQWCZJBV-KRWDZBQOSA-N 345.358 3.205 30 50 EGEA CC(=O)N[C@H]1C(=O)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253498258 IGQWGSCTFRUHTN-ISDIOFJSSA-N 343.467 3.202 30 50 EGEA C[C@H](c1cccc(C#N)c1)N1CCN(C(=O)NC2CCCCC2)CC1 184233876 HHHGHYGOJRNHLQ-MRXNPFEDSA-N 340.471 3.279 30 50 EGEA C=CCSc1nc(O)c2c(n1)NC(=O)C[C@H]2c1c(F)cccc1F 820497028 XZIDTAPMZNSLAQ-QMMMGPOBSA-N 349.362 3.213 30 50 EGEA N#CCc1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccsc2)cc1 247716091 NJIYNNWZBCJOOY-MJGOQNOKSA-N 342.464 3.391 30 50 EGEA Cc1ccccc1CS(=O)(=O)c1oc(-c2ccccc2)nc1C#N 170623824 XNFONLGAQYOECC-UHFFFAOYSA-N 338.388 3.496 30 50 EGEA C=CCc1cccc(C(C)C)c1NC(=O)NCCCc1nc[nH]n1 252502114 UMSKWUOWYHMOHU-UHFFFAOYSA-N 327.432 3.411 30 50 EGEA N#Cc1cccc([C@@H]2CN(Cc3ccc(Br)o3)CCO2)c1 372811808 KWJCYCFZRLEBCZ-HNNXBMFYSA-N 347.212 3.487 30 50 EGEA N#CC1CCN(C(=O)CO[C@H](c2ccccc2)C(F)(F)F)CC1 222673373 CVBBBFXXNBTOFL-OAHLLOKOSA-N 326.318 3.069 30 50 EGEA CC(C)[C@H](NC(=O)c1ccc(-c2ccccc2C#N)cc1)C(=O)N(C)C 426388613 XWSGXBLYILJLJI-IBGZPJMESA-N 349.434 3.068 30 50 EGEA C=CC[C@]1(C(=O)O)CCCN(C(=O)Cc2c(C)[nH]c3ccccc23)C1 91563491 QHRYATQARMEZGC-FQEVSTJZSA-N 340.423 3.288 30 50 EGEA C#CCC(CC#C)C(=O)Nc1nc(C2CCCC2)c(C(=O)OC)s1 225707746 SYPFZUIWWLYGHE-UHFFFAOYSA-N 344.436 3.189 30 50 EGEA CC1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@@H]5[C@@H]32)CC1 1772492716 ASHKYTHYJZVSKW-OFRBEMTDSA-N 347.499 3.244 30 50 EGEA Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(F)cc2)cc1 13123090 FRWHTNXFOYTGPX-MRXNPFEDSA-N 325.339 3.342 30 50 EGEA CC[C@H](C)C(=O)OC[C@@]1(c2ccc(C)cc2OC(=O)C(C)C)CO1 1608517 DBEFONQGRSUFQO-LIRRHRJNSA-N 334.412 3.371 30 50 EGEA endogenous,in-man O=S(=O)(/N=C(\O)c1cccc(Br)c1)c1ccccc1 2842292 QRVPWJQDZKZRHR-UHFFFAOYSA-N 340.198 3.143 30 50 EGEA CCCc1nc(CN(CC)Cc2ccc(C#CC(C)(C)O)s2)no1 55036871 NTFPKTJEBNKTJA-UHFFFAOYSA-N 347.484 3.228 30 50 EGEA N#C[C@@H]1CCC[C@@H]1NC(=O)c1csc(=Nc2cc(F)cc(F)c2)[nH]1 450039886 GJZPJCHSJABJIF-ZANVPECISA-N 348.378 3.009 30 50 EGEA CCCCCCCC(=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 1455768095 RJJVXQFSAVRQQF-GFCCVEGCSA-N 346.397 3.380 30 50 EGEA COc1cccc(SC[C@@H](O)COc2ccc(CC#N)cc2)c1 408526003 KFYVTNWBETYDFJ-HNNXBMFYSA-N 329.421 3.293 30 50 EGEA C=C(C)COc1cccc(C(=O)N2CC(N3CCCC[C@@H]3C)C2)c1 55036752 BDAQQVLAQZQZGU-INIZCTEOSA-N 328.456 3.340 30 50 EGEA CN(Cc1ccccn1)[C@H]1CCCN(/C(O)=N/C2CC=CC2)CC1 328623587 BXVDGBRLJBAWBN-SFHVURJKSA-N 328.460 3.001 30 50 EGEA Cc1ccnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1C#N 253427217 XRKSGUTXDKPSSR-LBPRGKRZSA-N 335.333 3.319 30 50 EGEA N#Cc1cccc(-c2ccc(C(=O)N3CCN(CC4CC4)CC3)cc2)c1 426370453 ITXBOISKVGXIIR-UHFFFAOYSA-N 345.446 3.393 30 50 EGEA Cc1nc([C@H]2CCOC2)cc(N2CCC(C#N)(c3ccccc3)CC2)n1 426634319 PTPIMYYFYRZJOA-KRWDZBQOSA-N 348.450 3.351 30 50 EGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1c(F)cccc1F 19902715 OLRSEYJKBKPVLL-GOSISDBHSA-N 347.361 3.496 30 50 EGEA O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc2c(c1)OCO2 5551734 DATRBBIPTFEIBI-NVNXTCNLSA-N 342.351 3.446 30 50 EGEA Cc1cc(C)c(C#N)c(N[C@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)n1 1857712267 HCWGWBGPUXBZPW-CMKODMSKSA-N 348.450 3.196 30 50 EGEA C#CCOC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)O)[C@H]1c1ccccc1 244794620 QQMHNDZUFXEMMS-QGFMHUBQSA-N 334.371 3.061 30 50 EGEA Cc1ccc(NCCC2CCN(CC(F)(F)F)CC2)nc1C#N 302618650 GJVQIUVCJFSJPR-UHFFFAOYSA-N 326.366 3.338 30 50 EGEA C[C@H](C(=O)N1CCCC[C@@H]1C1CCOCC1)c1ccc(C#N)cc1 2325810512 OQMRBGUUGJFHAI-HNAYVOBHSA-N 326.440 3.469 30 50 EGEA COc1cccc(NC(=O)[C@@]2(C#N)Cc3ccccc3N3CCC[C@H]32)c1 229930162 ZNKAYEUCVTXDGU-PZJWPPBQSA-N 347.418 3.369 30 50 EGEA CN1CCC[C@H](C/N=C(/N)NC2CCCCC2)[C@H]1c1cccs1 252486422 JYOLFIDLWONDII-PBHICJAKSA-N 334.533 3.368 30 50 EGEA C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2572518 DJGMNCKHNMRKFM-SFHVURJKSA-N 335.359 3.002 30 50 EGEA biogenic,in-vitro N#Cc1ccc(Nc2cccc(C(=O)N3CC([C@@H]4CCOC4)C3)c2)cc1 366225575 RXPGMPWFEROHJQ-QGZVFWFLSA-N 347.418 3.410 30 50 EGEA COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc3ncccc3c2)c1 179612716 TZLWFHQQWCZJBV-QGZVFWFLSA-N 345.358 3.205 30 50 EGEA COCCN/C(=N/Cc1ccccc1)[C@H](C#N)c1nc(C)c(C)s1 225503066 RCUJOMXVQUNECD-INIZCTEOSA-N 342.468 3.202 30 50 EGEA C=CCn1ncc(CN(Cc2ccc(F)cc2)[C@H](CC)CO)c1C 55199420 AJBZLXDWTNEGET-LJQANCHMSA-N 331.435 3.290 30 50 EGEA CC[C@H](C#N)S(=O)(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 229977149 XITPVUJREWKDBR-CHWSQXEVSA-N 341.502 3.078 30 50 EGEA N#Cc1nccnc1N1CCC[C@H](COc2ccccc2Cl)C1 269896337 DPKICULHIDUBHP-ZDUSSCGKSA-N 328.803 3.297 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)N=N1 952879750 HCESQUXSKTTWNM-ZDUSSCGKSA-N 338.411 3.104 30 50 EGEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2nc(C)c(C#N)cc2Cl)C1 888102772 LMKZPONLXXESRC-HIFRSBDPSA-N 345.834 3.221 30 50 EGEA N#CCCn1ccc(NC(=O)Nc2cc(F)ccc2OC(F)F)n1 170600075 ZLBSDSVLMAFWFX-UHFFFAOYSA-N 339.277 3.181 30 50 EGEA O=[N+]([O-])c1ccccc1/C=N/N1CCN(c2ccc(Cl)cc2)CC1 135752 DVAKTGFHOXUGRT-CPNJWEJPSA-N 344.802 3.404 30 50 EGEA CN(C)c1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1[N+](=O)[O-] 4845853 NEFBOKZQOMEPLY-UVTDQMKNSA-N 337.335 3.005 30 50 EGEA C=C(C)COc1ccccc1C(=O)N(C)[C@H](COC)c1ccccn1 55119450 VRDPUUANZQVVFS-GOSISDBHSA-N 340.423 3.496 30 50 EGEA CC(=O)N[C@@H]1C(=O)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253498259 IGQWGSCTFRUHTN-QWLXMNPYSA-N 343.467 3.202 30 50 EGEA C[C@@H](O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C 257345538 AIPVEEYYOOGTAW-JBKYINHESA-N 332.484 3.486 30 50 EGEA C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCc2[nH]ncc2C1 241383310 MUDWHMBNZMREDY-NSHDSACASA-N 335.860 3.444 30 50 EGEA CCn1cnnc1N=C(O)c1ccc(Br)cc1Cl 328592267 ALNQOCDCZNPBHN-UHFFFAOYSA-N 329.585 3.350 30 50 EGEA C=CCn1c2nc3ccccc3nc2c2c(=O)n([C@H](C)CC)cnc21 534095 FQHOQKOHGCMRLU-GFCCVEGCSA-N 333.395 3.451 30 50 EGEA N#Cc1cnc2nc(SCc3cccc(C(F)(F)F)c3)nn2c1 3118862 SXLLWLVLLYQXOO-UHFFFAOYSA-N 335.314 3.307 30 50 EGEA C=CCOc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1 10312389 RLEZBGHMBKBUBW-UHFFFAOYSA-N 335.392 3.480 30 50 EGEA O=C1C(=CNc2ccc(Br)cn2)C(=O)c2ccccc21 2539521 WELPJGXBYYLQJA-UHFFFAOYSA-N 329.153 3.219 30 50 EGEA Cc1nc(CN2C[C@@H](F)C[C@H]2CNCc2ccc(C#N)cc2)cs1 328631378 KMBIHVDVPCPVNB-WMZOPIPTSA-N 344.459 3.025 30 50 EGEA N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]3CCCC[C@H]32)c(F)c1 159477045 URMKIEBJYQEUOK-IUODEOHRSA-N 340.395 3.180 30 50 EGEA COc1ccc(C#N)cc1CN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 225651862 GMYAOPBZNOYZNU-ZWKOTPCHSA-N 326.371 3.014 30 50 EGEA CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)ccc1O 4488897 DDQTZQZGODJTJL-LBPRGKRZSA-N 329.396 3.038 30 50 EGEA N#Cc1cccnc1N1CCC2(CC1)C[C@@H](O)C[C@H](c1ccccc1)O2 1857730963 FPLVANPYWOIJFB-RBUKOAKNSA-N 349.434 3.205 30 50 EGEA Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccncc3)n2C)cc1 126104463 KVFIIKXVRNLYLY-MRXNPFEDSA-N 335.436 3.413 30 50 EGEA CC(C)(C)[C@@H]1CCc2nc(N)c(C#N)c(-c3ccc(CO)o3)c2C1 71757141 DAFMERSUQISHSP-LLVKDONJSA-N 325.412 3.439 30 50 EGEA CCCn1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc23)cn1 181516647 OIWBUAVEFGWMAQ-KRWDZBQOSA-N 346.390 3.407 30 50 EGEA C#CCOc1ccccc1NC(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 188133595 KJBWMRPYWURXRY-DOTOQJQBSA-N 338.411 3.010 30 50 EGEA N#Cc1cc(N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)ccn1 225475050 GHJZZKKEIUSCBC-XJKSGUPXSA-N 333.313 3.284 30 50 EGEA CC1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@@H]5[C@@H]32)CC1 1772492717 ASHKYTHYJZVSKW-QEHOSYAESA-N 347.499 3.244 30 50 EGEA C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nccc(Br)c1Cl 905998356 MLNUISIAWWCVKC-KWQFWETISA-N 345.624 3.417 30 50 EGEA CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)C2=C(CCCC2=O)N1 100434519 ZGYZPDAJCODHDO-QGZVFWFLSA-N 326.396 3.001 30 50 EGEA Cc1ccc(-c2cc(-c3[nH]c(C)c(C(=O)O)c3C)nc(N)c2C#N)o1 71762732 DLTDXOYVPPEQRA-UHFFFAOYSA-N 336.351 3.414 30 50 EGEA C#CCCC1(CCC(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)O)N=N1 2325900788 JDOUCZRUJOOVPV-OAHLLOKOSA-N 341.411 3.092 30 50 EGEA C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1C1CC1 84685 JSHSSQRAJANSPQ-UHFFFAOYSA-N 328.441 3.381 30 50 EGEA C=C(C)CN1C(=O)[C@](O)(CC(=O)c2cccs2)c2ccccc21 6729240 MRZWGXPWFDDXHM-SFHVURJKSA-N 327.405 3.131 30 50 EGEA C#CCOc1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc1 173901258 UEDDYGXWDIAJBK-MRXNPFEDSA-N 329.359 3.075 30 50 EGEA O=c1c2cc([N+](=O)[O-])ccc2ncn1CC#Cc1ccccc1Cl 162355101 HASWWJBJHYBTDI-UHFFFAOYSA-N 339.738 3.010 30 50 EGEA N/C(=N/OCC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccs1 170138526 YWLRWXBPYXUKAC-UHFFFAOYSA-N 343.330 3.043 30 50 EGEA CC(=O)Nc1cc(Cl)c(Cl)cc1B1OC(C)(C)C(C)(C)O1 170003271 XPRJIWWYFXBYFL-UHFFFAOYSA-N 330.020 3.251 30 50 EGEA CCOc1ccc(N=C(O)N[C@@H]2CCCN=C2O)c(C(F)(F)F)c1 328589540 VBFBFLNOOGAGEH-GFCCVEGCSA-N 345.321 3.358 30 50 EGEA C[C@@H]1CN(C(O)=Nc2cn(Cc3ccccc3)nn2)[C@H]2CCCC[C@H]12 330275697 LWFFLALCZKWVCX-OIISXLGYSA-N 339.443 3.382 30 50 EGEA N#C[C@H]1CCC[C@@H]1NC(=O)c1csc(=Nc2cc(F)cc(F)c2)[nH]1 450039882 GJZPJCHSJABJIF-RNCFNFMXSA-N 348.378 3.009 30 50 EGEA CCc1ccc([C@@H]2CN(C(=O)c3ccc(C#N)c(O)c3)CCO2)cc1 190863633 DEMCBKANYZWJFJ-IBGZPJMESA-N 336.391 3.040 30 50 EGEA COc1cc(/C=N/NC(=S)Nc2ccccc2)cc(OC)c1OC 234589 AIBMIQGSVBRQNH-WOJGMQOQSA-N 345.424 3.033 30 50 EGEA Cc1noc([C@@H]2CCN(CC(O)=Nc3sc(C)c(C)c3C)C2)n1 329044720 PLSKLWLNYFWNEZ-CYBMUJFWSA-N 334.445 3.442 30 50 EGEA N#C[C@@H]1CN(C(=O)COc2ccc(F)cc2F)C[C@H]1c1ccccc1 366419617 MCJWVZQLLBZLDI-ZBFHGGJFSA-N 342.345 3.109 30 50 EGEA CCn1cc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1C#N 72133839 PQBXXOGTNKTSRT-UHFFFAOYSA-N 342.874 3.351 30 50 EGEA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)cc1 299756431 DZYKRKAMTLFPKF-IBGZPJMESA-N 336.439 3.315 30 50 EGEA C#CCCC1(CCC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)N=N1 952882617 SWVCCEVFDHBVQR-MRXNPFEDSA-N 346.862 3.415 30 50 EGEA CO[C@@](F)(C(=O)Nc1sc2c(c1C#N)CCCC2)C(F)(F)F 3616873 SFDYAXNJXSPGOH-LBPRGKRZSA-N 336.310 3.312 30 50 EGEA N#Cc1cccc(C2(NC(=O)Nc3cccc4c3OCCO4)CC2)c1 340456522 UGGSTUKDUQGXAH-UHFFFAOYSA-N 335.363 3.140 30 50 EGEA COC(C/N=C1\NC[C@H](c2ccccc2)Sc2ccccc21)OC 96027531 BRVVXTSUTXQVHQ-QGZVFWFLSA-N 342.464 3.489 30 50 EGEA CCOc1ccc(NC(=O)N(C)CCc2c(C)n[nH]c2C)cc1C#N 299765335 ACBCCHYNEORCTF-UHFFFAOYSA-N 341.415 3.003 30 50 EGEA C#CCCC1(CCC(=O)N2CCC[C@H](n3nc(C)cc3C)C2)N=N1 952880904 KGTICSOJDJULDB-INIZCTEOSA-N 327.432 3.019 30 50 EGEA CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)C#Cc2ccccc2)C1 12431696 NLIVDXPYBQRZTN-JOCHJYFZSA-N 346.474 3.204 30 50 EGEA C=CCN1C(=O)/C(=C\c2ccc(OCC)cc2)C(C(=O)OCC)=C1C 14010607 VDWNFDJXYSKGDC-LGMDPLHJSA-N 341.407 3.334 30 50 EGEA CN(C)c1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)cc1 4119104 OSVNJTXUCUYUHQ-YBFXNURJSA-N 331.383 3.018 30 50 EGEA C=C(C)COc1c(CNC[C@@H](O)c2ccccc2)cccc1OC 55242700 DSURMTJANOILBR-GOSISDBHSA-N 327.424 3.473 30 50 EGEA COc1cccc([C@@H]2C[C@H](O)CN2c2c(F)cc(C#N)cc2F)c1 283340987 AZRAWXKXAXITNI-GUYCJALGSA-N 330.334 3.157 30 50 EGEA Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(C)c2)cs1 253425516 DCDIIUXJAXSQOE-INIZCTEOSA-N 347.465 3.157 30 50 EGEA N#Cc1ccc(CCC(=O)N2CCC[C@]2(CO)Cc2ccccc2)cc1 365112916 WIVTZAAGJULCSL-JOCHJYFZSA-N 348.446 3.087 30 50 EGEA Cc1cc(N2CCC[C@H]2C[C@@H](C)O)n2c(nc3ccccc32)c1C#N 133308420 SYLLAAKIILYGBE-CABCVRRESA-N 334.423 3.407 30 50 EGEA Brc1cccc(C=NN2CCN(c3ccccn3)CC2)c1 238950711 ZLRPTDMMSNZRQZ-UHFFFAOYSA-N 345.244 3.000 30 50 EGEA Cc1cccc(N2CCC(NCc3ccc(C#CCO)s3)CC2)c1 952973023 FHOXTLCPRVHJJQ-UHFFFAOYSA-N 340.492 3.159 30 50 EGEA CCN(CCNc1nc(C(F)(F)F)ccc1C#N)CC(F)(F)F 225387146 IELTVKIBJGJEDJ-UHFFFAOYSA-N 340.271 3.268 30 50 EGEA N#CCC(=O)N[C@@H](CC(F)(F)F)c1ccc(Br)cc1 390834436 YVPGDUVIBNCRKL-JTQLQIEISA-N 335.123 3.472 30 50 EGEA C#CCCC1(CCNC(=O)c2ccnc(OC3CCCCC3)c2)N=N1 2325893543 CQTVSURDWMMEBG-UHFFFAOYSA-N 340.427 3.489 30 50 EGEA C=CCC(=O)N(CC1CCN(C2CCCC2)CC1)C[C@H]1CCCO1 11874705 GCTTYFPVLHBGMN-LJQANCHMSA-N 334.504 3.225 30 50 EGEA C=CCN(C)CC[C@@]1(c2ccccc2)C(=O)N(N(C)C)c2ccccc21 96027507 OCLPDPOJWHCAJQ-QFIPXVFZSA-N 349.478 3.304 30 50 EGEA C#CCCC1(CCC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C(C)C)N=N1 1875381870 KAJXECKGUUHKRK-IAGOWNOFSA-N 330.476 3.063 30 50 EGEA Cc1c(C#N)cccc1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 408515975 RISZSFCAYSOBNB-UHFFFAOYSA-N 338.367 3.481 30 50 EGEA Cc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2ccccc2C)S1 4964803 HFWGFIWUUIHVID-RONKMWSCSA-N 337.448 3.468 30 50 EGEA CCSc1nc2n(n1)[C@H](c1cccs1)C1=C(CCCC1=O)N2 4436232 ADVOKHDHHKZQMR-CYBMUJFWSA-N 332.454 3.474 30 50 EGEA C=CCC(O)(CC=C)[C@H](C)Nc1nncc(-c2ccc(OC)cc2)n1 12452950 XVIGMDIATMZAFR-AWEZNQCLSA-N 340.427 3.231 30 50 EGEA CC1(C)OCc2cc(C#N)c(N3C[C@]45CCCC[C@@]4(COC5)C3)nc21 2325775421 GHJAMHGPSFIPGF-PMACEKPBSA-N 339.439 3.116 30 50 EGEA Brc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1 100573476 WXZJXFSHOLVUHW-CPNJWEJPSA-N 345.244 3.000 30 50 EGEA C=CCN(Cc1ccccc1OC)C(=O)Cn1nc(C)c(C)c1C 55341932 PTVOYTXCUXHRPT-UHFFFAOYSA-N 327.428 3.032 30 50 EGEA CC(C)(O)C#Cc1ccc(C(=O)N(Cc2ccncc2)C2CC2)cc1 65464887 VTNJTLVDVXMAGU-UHFFFAOYSA-N 334.419 3.009 30 50 EGEA CN(C)N1C(=O)C[C@@H](c2ccccc2F)C2=C1CC(C)(C)CC2=O 1422739 WAKMBWRNCKWQBL-ZDUSSCGKSA-N 330.403 3.261 30 50 EGEA CC(=O)NCc1ccc([C@@H]2CCCN2c2ccc(F)cc2C#N)o1 368761478 KWORRIHYFVCMHE-KRWDZBQOSA-N 327.359 3.268 30 50 EGEA COc1ccc2c(c1)CN(C(=O)[C@@H](C)c1cccc(C#N)c1)CCO2 456175810 IIAXKUQOSPEODC-AWEZNQCLSA-N 336.391 3.092 30 50 EGEA CN(C)[C@H](CNc1nc2c(c(C#N)c1C#N)CCCCCC2)C1CC1 225455825 AOXYWWMBJMHAQH-LJQANCHMSA-N 337.471 3.236 30 50 EGEA CCOC(=O)CCCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 169935940 IXVIBZJBLFIXPL-UHFFFAOYSA-N 332.249 3.262 30 50 EGEA COc1ccc(OC)c(/C=N/n2c(-c3ccco3)n[nH]c2=S)c1 1300657 KFYSXAOZGCZKFZ-CXUHLZMHSA-N 330.369 3.100 30 50 EGEA C#CCCC1(CCC(=O)N2CCCc3ccc(C(=O)OC)cc32)N=N1 2325892367 KYHIVFLQKQERFC-UHFFFAOYSA-N 339.395 3.108 30 50 EGEA Cn1cc([C@@H]2C[C@@H]2C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cn1 252504419 BCKOQZHERXULPW-SLEUVZQESA-N 349.221 3.211 30 50 EGEA COCCOCCc1ncc(C(O)=Nc2cccc(C(F)F)c2)[nH]1 328590330 NSIWGXRSTADLGQ-UHFFFAOYSA-N 339.342 3.189 30 50 EGEA C[C@@H](/C(O)=N/[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1)n1cccc1 328605655 ONQAYGLNRAKLCZ-SOUVJXGZSA-N 345.447 3.008 30 50 EGEA C#CCOC(=O)C1[C@@H](c2ccccc2)C(C(=O)O)[C@@H]1c1ccccc1 5093432 QQMHNDZUFXEMMS-YXWAVELNSA-N 334.371 3.061 30 50 EGEA N#Cc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)cc1 3908220 SRDIJGZTOSOEGS-UHFFFAOYSA-N 333.303 3.194 30 50 EGEA Cc1cc(O)cc(O)c1/C=N/n1c(-c2ccccc2)n[nH]c1=S 6556583 QPZNJPSCEOAWLN-RQZCQDPDSA-N 326.381 3.210 30 50 EGEA C=CC[C@]1(C(=O)O)CCCN(Cc2c[nH]c(CC3CCCC3)n2)C1 92062021 IFSKGKYTJHMISS-IBGZPJMESA-N 331.460 3.385 30 50 EGEA Cc1ccc(S(=O)(=O)O[C@H]2[C@@H]3[C@@H]4[C@@H]5[C@H]3S[C@@H]3[C@@H]5CC[C@@H]4[C@H]23)cc1 247996651 BNRVSUWIRICMPT-YXUORUBZSA-N 348.489 3.085 30 50 EGEA C=CCN1C[C@@H](C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)CC1=O 952961054 CWXCVVWEUKNPNW-SFHVURJKSA-N 340.467 3.336 30 50 EGEA N#Cc1cc(C(=O)N2CCN(C3CC3)c3ccc(Cl)cc32)ccn1 193746689 VOOPJROIMUKZMA-UHFFFAOYSA-N 338.798 3.236 30 50 EGEA Cc1c(/N=C/c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 61131 KJSZNFBWGBNEAU-XDHOZWIPSA-N 336.351 3.143 30 50 EGEA CC1(C)OB(c2ccc(NC(=O)NC3CCCCC3)cc2)OC1(C)C 169794604 ZTWRGAHFDGVATQ-UHFFFAOYSA-N 344.264 3.440 30 50 EGEA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(Cc3ccc(C#N)cc3)CC2)O1 1857706235 LOXVMOGRMIQIJH-RTBURBONSA-N 342.483 3.479 30 50 EGEA CCOC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCCC2 17440298 URHPJRCWCJINNC-UHFFFAOYSA-N 346.452 3.227 30 50 EGEA CC1(C)OB(c2cc(F)cc(N)c2OCc2ccccc2)OC1(C)C 170003784 VXFZEQVSDFJVEW-UHFFFAOYSA-N 343.207 3.286 30 50 EGEA N#Cc1cccc(N2CCC[C@@](CO)(CCOc3ccccc3)C2)n1 67695906 UWZVEBZJTPVGJM-HXUWFJFHSA-N 337.423 3.001 30 50 EGEA C[C@@H](C1CC1)n1cc(N=C(O)N2CCC[C@@H](OCC3CC3)C2)cn1 328595771 DYSSFOPYRPSJPK-SUMWQHHRSA-N 332.448 3.291 30 50 EGEA C=CCOc1ccccc1CN1CC[C@@]2(CCCN(C(C)=O)C2)C1 67605726 UCJPKENNEUWHRJ-FQEVSTJZSA-N 328.456 3.086 30 50 EGEA CC1(C)CC(=O)C2(C(=O)C1)[C@@H](c1ccc(Cl)cc1)C2(C#N)C#N 1383826 MWHHZYWFLHIBFN-HNNXBMFYSA-N 326.783 3.415 30 50 EGEA N#C[C@@H]1CCCN(C(=O)c2cccc(CN3CCCCCC3)c2)C1 426494712 XZRIUORAEIFFRC-SFHVURJKSA-N 325.456 3.438 30 50 EGEA CCc1nnc(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)[nH]1 170621517 KGDYCALHPCPOSN-UHFFFAOYSA-N 343.456 3.023 30 50 EGEA COCCN/C(=N/Cc1ccccc1)[C@@H](C#N)c1nc(C)c(C)s1 225503097 RCUJOMXVQUNECD-MRXNPFEDSA-N 342.468 3.202 30 50 EGEA CN1C(=O)/C(=N\OC(=O)c2cccc3ccccc23)c2ccccc21 448736 DPJBCKVTUQFNDM-UZYVYHOESA-N 330.343 3.377 30 50 EGEA aggregator CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 2566679 LRNXUFGJTBOSHN-OAHLLOKOSA-N 341.407 3.177 30 50 EGEA C/N=C(/NC[C@@H]1CCOC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 119588136 DSYUYPBZFPLATN-RDJZCZTQSA-N 343.471 3.025 30 50 EGEA OC(Cn1cc2ccccc2n1)=Nc1cccc(F)c1-c1nc[nH]n1 328596417 NXBMOKKLSVHFFP-UHFFFAOYSA-N 336.330 3.249 30 50 EGEA CC[C@H](C/N=C(/O)[C@H]1CCCC(O)=N1)N1CCc2ccccc2C1 328834558 WUODZEUQSHCTES-IAGOWNOFSA-N 329.444 3.289 30 50 EGEA CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(C#N)c(F)c2)[nH]n1 291994064 WRPJNKPJULWGHH-SNVBAGLBSA-N 336.392 3.125 30 50 EGEA CC1(C)C=CCCOC/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 43761483 VZRMPAKYEAPSOW-RQSLADKVSA-N 334.332 3.274 30 50 EGEA CC1(C)OB(c2cnn(Cc3ccc4ccccc4c3)c2)OC1(C)C 199785158 YNZJZOPDWDZOCN-UHFFFAOYSA-N 334.228 3.384 30 50 EGEA C=CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 4869806 YBLPFZRFSHRASA-UHFFFAOYSA-N 328.324 3.421 30 50 EGEA O/C(=N/Cc1nc(-c2ccccc2F)cs1)N1C[C@@H]2CC[C@H](C1)O2 328596396 MUWVXVXANUUXLX-TXEJJXNPSA-N 347.415 3.226 30 50 EGEA N#Cc1ccnc(N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)c1 92038527 MORJJBNUYFIXMG-UHFFFAOYSA-N 338.455 3.105 30 50 EGEA C#CCCC1(CCC(=O)N2CCC(Oc3cc(C)ccn3)CC2)N=N1 952879646 GFESWMWUVXUATN-UHFFFAOYSA-N 340.427 3.116 30 50 EGEA CN(C)c1ccc(CNC(=O)c2ccccc2SCC#N)cc1 170093248 TWGVXALVYGHJAQ-UHFFFAOYSA-N 325.437 3.298 30 50 EGEA Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccccc1O)CCCC3 301122 VVRUIRHNHWPGPM-VXLYETTFSA-N 339.420 3.233 30 50 EGEA CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2cccc(F)c2)cc1 308063 GTAPMKALXMLHQM-XDHOZWIPSA-N 334.416 3.436 30 50 EGEA CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(C(C)C)cc1 96609 NYGOHHRVPKTXKW-WMZOPIPTSA-N 343.423 3.273 30 50 EGEA N#Cc1ccc(Cl)c(C(=O)Nc2cccc(Cn3cncn3)c2)c1 350620937 PKSHJLAZFBPIHD-UHFFFAOYSA-N 337.770 3.104 30 50 EGEA CCCn1cc(N=C(O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cn1 328613459 SBGGETPOXQSONB-HOCLYGCPSA-N 331.420 3.009 30 50 EGEA O/C(CCc1ccoc1)=N/C[C@@H]1C[C@H](F)CN1Cc1nccs1 328637256 ONHOUPSTHQDMKB-KBPBESRZSA-N 337.420 3.238 30 50 EGEA C[C@H]1CN([C@H](CNCc2ccc(C#N)cc2)c2cccs2)CCO1 241135424 JPFGQWPRABLDFA-MAUKXSAKSA-N 341.480 3.171 30 50 EGEA CCn1c(C)cc(/C=N\Nc2ncc(F)c(N3CCCC3)n2)c1C 226095013 SASQOXUPQOHPQX-JMIUGGIZSA-N 330.411 3.100 30 50 EGEA C=CCNCC[C@@H]1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 299774797 JGJSCHBIWRJRPC-AWEZNQCLSA-N 342.361 3.242 30 50 EGEA C#CCCC1(CCC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)N=N1 952881048 NPUBOYRSTLWAKA-HNNXBMFYSA-N 344.846 3.391 30 50 EGEA C[C@@H](C#N)C(=O)N1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 952891141 BDQRPRGEAXWRIB-ZDUSSCGKSA-N 340.402 3.082 30 50 EGEA OCC#Cc1csc(CN2CCC([C@H](O)c3cccs3)CC2)c1 952982653 QYRCKFULZWQORN-SFHVURJKSA-N 347.505 3.099 30 50 EGEA N#Cc1nc(-c2ccc(F)cc2)oc1S(=O)(=O)Cc1ccccc1 1775974928 ADKXDPJNKAKJGS-UHFFFAOYSA-N 342.351 3.326 30 50 EGEA COc1cccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)c1 5911330 QBCKTNWQUPFJDR-VCHYOVAHSA-N 328.372 3.264 30 50 EGEA C=C(C)C[C@H](C)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 253431266 OTGQLFMUXZVGHY-KRWDZBQOSA-N 325.456 3.263 30 50 EGEA C#CCCC1(CCC(=O)NC[C@@H]2CC[C@@H](Oc3ccncc3)C2)N=N1 2325899527 JBJKZHVHNOZGAO-NVXWUHKLSA-N 340.427 3.101 30 50 EGEA O=C1CC(c2ccccc2)CC(=O)C1=CNCc1ccc2c(c1)OCO2 100630916 ZBEIBHWTFMMBAC-UHFFFAOYSA-N 349.386 3.105 30 50 EGEA N#Cc1cc(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)ccc1F 377098103 PWLQJQVFPVGNCW-KRWDZBQOSA-N 346.365 3.338 30 50 EGEA C[C@@]12CC[C@@H]3C[C@]1(C#N)N(C(=O)c1cccc([N+](=O)[O-])c1)C[C@]32C 244866408 VVPWYMMLGFSQBL-NKGKWGDASA-N 325.368 3.139 30 50 EGEA C[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2[C@H](O)C[C@]3(C)[C@H](CC[C@]3(C)O)[C@@H]12 257358324 SUKMOMANEUHOTO-CAKCKSRASA-N 332.484 3.486 30 50 EGEA N#Cc1cc(N2CCC(n3cc(Cl)cn3)CC2)ccc1[N+](=O)[O-] 167483782 IARCSAUDCMQEGQ-UHFFFAOYSA-N 331.763 3.158 30 50 EGEA Cc1nc(-c2cccc(NC(=O)C3(c4ccc(C#N)cc4)CC3)c2)n[nH]1 188541221 SZHZKGCLPOGTND-UHFFFAOYSA-N 343.390 3.322 30 50 EGEA C[C@@H](NC(=O)CC1CCCCC1)C(=O)N(CC#N)c1ccccc1 193522508 SETNSLZPULIDQG-OAHLLOKOSA-N 327.428 3.018 30 50 EGEA N#Cc1ccccc1NC(=O)c1ccccc1I 301492 XVNNZMKFGXIMOR-UHFFFAOYSA-N 348.143 3.415 30 50 EGEA COc1ccc(Oc2ccnc(OC)c2C#N)cc1CN1CCCC1 67804874 HTSQXZSYSBAVDE-UHFFFAOYSA-N 339.395 3.359 30 50 EGEA CCN(Cc1ccc(C)o1)C(=O)c1ccc(C#CC(C)(C)O)cc1 65529452 XFUZAEKHSBLOFO-UHFFFAOYSA-N 325.408 3.373 30 50 EGEA C[C@H]1CN(Cc2ccccc2CNCc2ccc(C#N)o2)C[C@@H](C)O1 237621454 ZCUYLSSYPBLUHD-IYBDPMFKSA-N 339.439 3.050 30 50 EGEA N#Cc1cc(NC[C@@H]2CCC[C@@H]3CCCCN32)c([N+](=O)[O-])cc1C#N 4628959 TWZKYQDKKNQNIW-HOTGVXAUSA-N 339.399 3.157 30 50 EGEA COC1(OC)CC2(CN(c3ccc(C#N)cn3)[C@@H]2c2ccccc2)C1 952994621 RROFDLRKVZUAHS-GOSISDBHSA-N 335.407 3.284 30 50 EGEA COc1cccc([C@H]2C[C@H](O)CN2Cc2ccc(F)c(C#N)c2)c1 282047047 GFQLFACQPKBLET-QFBILLFUSA-N 326.371 3.014 30 50 EGEA C=CCCC(=O)NC[C@@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1 12212748 XWUBKTVDCQYLIR-HNNXBMFYSA-N 343.814 3.183 30 50 EGEA Cc1ccc(S(=O)(=O)/N=C2\C=CC(=O)c3ccccc32)c(C)c1 13485252 AWAQREHBGQRFII-KNTRCKAVSA-N 325.389 3.234 30 50 EGEA COc1ccc(/C=N/Nc2cc(-n3nc(C)cc3C)nc(C)n2)cc1 4595592 YFNWBTOYLGPBAS-YBFXNURJSA-N 336.399 3.042 30 50 EGEA O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1O/N=C(/c1ccccc1)C(F)(F)F 2325751442 GTUSEUWYVMZDST-GUKCQKQFSA-N 340.345 3.417 30 50 EGEA Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2C(=O)O)c(C#N)c1C 2074840 CVNPSFYETYJSBC-UHFFFAOYSA-N 345.336 3.095 30 50 EGEA N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ccsc2)cc1 247642548 IIFXTTHDPMJCMI-WMZOPIPTSA-N 328.437 3.197 30 50 EGEA CC1(C)CC(=O)C2(C(=O)C1)[C@H](c1ccc(Cl)cc1)C2(C#N)C#N 1383827 MWHHZYWFLHIBFN-OAHLLOKOSA-N 326.783 3.415 30 50 EGEA Cc1c(CN2CCC([C@H](O)Cc3ccccc3)CC2)cc(C#N)n1C 72438508 PTQGTASBKDMILN-OAQYLSRUSA-N 337.467 3.021 30 50 EGEA O=C1CCC(c2ccccc2)=C1CC(=O)N1CC(c2ccncc2)C1 426649486 DQNBFJREEAWLLF-UHFFFAOYSA-N 332.403 3.214 30 50 EGEA C#C[C@H](NC(=O)c1ccc2nc(O)n(C3CC3)c2c1)c1ccccc1 1299870195 ZWERMPNPSZHRSU-INIZCTEOSA-N 331.375 3.181 30 50 EGEA C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1O 188914325 INOJVPSIVOUVHQ-IPYPFGDCSA-N 333.457 3.363 30 50 EGEA N#Cc1ccc(-c2cc(-c3nc4c5ccccc5ncn4n3)n[nH]2)cc1 1775964983 VQLKANZKRLEBDT-UHFFFAOYSA-N 337.346 3.206 30 50 EGEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC 19638642 XWCVJHIWWGHHJF-SFHVURJKSA-N 341.407 3.226 30 50 EGEA CCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4550837 NCZPAZOZVYLLTI-MHWRWJLKSA-N 330.300 3.348 30 50 EGEA N#Cc1cc(C[C@@H]2CCN(C(=O)c3cccc4nc[nH]c34)C2)ccc1F 2325792737 JKTYNSZAKWQEEB-AWEZNQCLSA-N 348.381 3.278 30 50 EGEA CCCC(C)(CCC)C(=O)N[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](C#N)C2)C1 2325843054 RQOVKUHADKJPLZ-JXXFODFXSA-N 347.503 3.250 30 50 EGEA C=CCOc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1 4865965 FEZJNNVXWPHFQV-UHFFFAOYSA-N 340.398 3.353 30 50 EGEA Cc1ccc(Cc2ccccn2)cc1N=C(O)N1CC[C@@H](O)[C@H](C)C1 329228838 CBKVADQJKSPRNB-DNVCBOLYSA-N 339.439 3.229 30 50 EGEA O=C1Nc2cc([N+](=O)[O-])ccc2N/C1=C\C(=O)c1ccc(Cl)cc1 95398226 GDHOWAFRTVZYJV-ZSOIEALJSA-N 343.726 3.379 30 50 EGEA C=CC(=O)N(Cc1ccc(C#N)cc1Br)[C@H](C)C(F)F 1875388942 WDINLHINJPGMHP-SECBINFHSA-N 343.171 3.489 30 50 EGEA C/C(=N\OCC(=O)N(C)C1CCC(C)CC1)c1ccc2c(c1)OCO2 222035322 OBBGLQRGJBCMFP-XSFVSMFZSA-N 346.427 3.193 30 50 EGEA N#C[C@H]1CCC[C@@H](Nc2ccccc2CN2CCC(CO)CC2)C1 193112391 ZRFISWNQJWWMNH-PKOBYXMFSA-N 327.472 3.385 30 50 EGEA N#Cc1cccc(CS(=O)(=O)c2oc(-c3ccccc3)nc2C#N)c1 170623809 RDDPEOBCKLWSIR-UHFFFAOYSA-N 349.371 3.059 30 50 EGEA N#CC1CCC(CNC(=O)N2CCCN(c3ccccc3)CC2)CC1 242001123 VDCHQSXAGCWPKK-UHFFFAOYSA-N 340.471 3.238 30 50 EGEA COc1ccccc1[C@@H](C)N(C)C(=O)CSc1ccc(C#N)cn1 339589781 WKXAAWKQGXAKMT-CYBMUJFWSA-N 341.436 3.274 30 50 EGEA CC1(C)CN(c2ccnc(C#N)n2)[C@@H]1c1nccn1Cc1ccccc1 952891968 BFBGCAYBNFEIAM-GOSISDBHSA-N 344.422 3.181 30 50 EGEA Cc1ccc(NC(=O)C[C@@H]2CC3=C(CCCC3=O)NC2=O)cc1Cl 1740818296 YUXIBPHERWRLDD-NSHDSACASA-N 346.814 3.120 30 50 EGEA Fc1cccc(/C=N/n2c(S)nnc2COc2ccccc2)c1 5999437 BYIDYZHIPCFBJV-VCHYOVAHSA-N 328.372 3.167 30 50 EGEA CC(C)(O)C#Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 444853 RWSAXMOCPJVACD-UHFFFAOYSA-N 327.811 3.392 30 50 EGEA N#C[C@@H]1COCCN1C(=O)c1cn(Cc2ccccc2)c2ccccc12 173129968 BHUAYLJKMAUJAW-QGZVFWFLSA-N 345.402 3.054 30 50 EGEA N#Cc1cccc(OC2CCN(C(=O)CSC(F)(F)F)CC2)c1 171552722 HJCQCRGRPCFCGA-UHFFFAOYSA-N 344.358 3.181 30 50 EGEA N#C[C@@]1(C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)CCCOC1 875629391 QPBXHBHWFZHOGC-NFOMZHRRSA-N 330.350 3.078 30 50 EGEA CSc1nn2c(C(F)(F)F)cc(C(F)(F)F)nc2c1C#N 1039154 VCKIBRTVNGRWOF-UHFFFAOYSA-N 326.225 3.360 30 50 EGEA COc1cc(C)c(CN2CCN(c3ccccc3C#N)C(=O)C2)cc1C 82087524 YQIIHAABGRORHG-UHFFFAOYSA-N 349.434 3.033 30 50 EGEA CC(C)(O)C#Cc1ccc(CN2CCC(O)(c3ccccc3)CC2)cc1 670458831 LIGZMCIFSUWIDB-UHFFFAOYSA-N 349.474 3.293 30 50 EGEA N#Cc1cccnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 15019411 SEPQZMVFQOFULS-UHFFFAOYSA-N 327.453 3.130 30 50 EGEA C[C@H](/N=C(/O)N1CC(O)(C2CC2)C1)c1cccc(Cl)c1Cl 329519259 FCRXASCZRBJHQA-VIFPVBQESA-N 329.227 3.425 30 50 EGEA C=C(C)COc1ccccc1C(=O)N[C@@H](C)c1cn2ncsc2n1 55327798 ARQAFSPKUYHDMI-LBPRGKRZSA-N 342.424 3.237 30 50 EGEA CCn1ccnc1[C@H]1CCCCN1C(O)=Nc1nc(COC)cs1 328588766 WFMHKSHTLQLQPX-CYBMUJFWSA-N 349.460 3.279 30 50 EGEA CN1CCC[C@H](CCC(=O)N2CCC(c3cccc(C#N)c3)CC2)C1 92077440 AYOWSRJODHUCDN-QGZVFWFLSA-N 339.483 3.386 30 50 EGEA C#CCOc1cccc([C@@H](C)NC2CCN(c3nccs3)CC2)c1 952991768 XPXHINIGLMHMGB-OAHLLOKOSA-N 341.480 3.475 30 50 EGEA C[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 172667446 YDQISMGPZHVVQV-KUHUBIRLSA-N 338.382 3.228 30 50 EGEA N#C[C@@]1(c2ccccn2)CCCN(C[C@H]2CCC3(CCCC3)O2)C1 852332276 PYCOWNSHBBYIRI-MJGOQNOKSA-N 325.456 3.431 30 50 EGEA C#CCCC1(CCC(=O)NCCc2ncc(-c3ccccc3)[nH]2)N=N1 2325892500 PCJHFUZPLPUAPF-UHFFFAOYSA-N 335.411 3.091 30 50 EGEA C=CCN(Cc1cccc(OC)c1)C(=O)c1sc(NC)nc1C 55310132 ZIMSBAROXZWVLG-UHFFFAOYSA-N 331.441 3.330 30 50 EGEA O=S(=O)(NN=C(c1ccccc1)c1ccccc1)c1ccccc1 1762451 IZNUJWMVEWFEKW-UHFFFAOYSA-N 336.416 3.418 30 50 EGEA C[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 127502624 JXYIPYMWUYUJGI-QWHCGFSZSA-N 338.367 3.144 30 50 EGEA O=C1C(=NO)c2ccccc2[N+]1CCCOc1ccccc1Cl 343516995 ZOBPSACUKCZEGY-UHFFFAOYSA-N 330.771 3.299 30 50 EGEA CN(CCCC(=O)Nc1ccc(C#N)cc1)Cc1cc(C2CC2)[nH]n1 244691672 JHABENKZADUBLI-UHFFFAOYSA-N 337.427 3.009 30 50 EGEA C[C@H](O)CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 191850940 KZUCTKGGHDOVFG-BLLLJJGKSA-N 343.814 3.498 30 50 EGEA O=C1c2ccccc2C(=O)N1/N=C/c1ccc(Br)s1 286675 MWNBSLIOHROTJF-VIZOYTHASA-N 335.182 3.141 30 50 EGEA C=C(C)CN(C)C(=O)c1coc(COc2cccc3cccnc23)n1 12314325 YSBBBAMXDJDGAF-UHFFFAOYSA-N 337.379 3.450 30 50 EGEA CC(C)(C)c1ccc(C(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)cc1 18250218 IKHPZEWLKNUHAC-UHFFFAOYSA-N 341.367 3.370 30 50 EGEA C/C(=N/N1CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 19771557 XFNIWBVNLOBNQR-SILNSSARSA-N 338.411 3.137 30 50 EGEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(Cl)c1Cl 169936737 KMIDYWRKSICSLU-UHFFFAOYSA-N 331.004 3.079 30 50 EGEA COc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 2996868 NNLRXMJQQNKZFZ-UHFFFAOYSA-N 328.393 3.135 30 50 EGEA N#Cc1ncc(C(F)(F)F)cc1S(=O)(=O)c1ccc(Cl)cc1 1385416 UTWXHYVRYGZWGP-UHFFFAOYSA-N 346.717 3.458 30 50 EGEA C[C@@H]1CN(C(O)=Nc2ccc(F)c(C3CC3)c2)C[C@@]2(CCOC2)O1 328588693 VKSCTGNERRZUSG-KZULUSFZSA-N 334.391 3.128 30 50 EGEA COc1ccc(CN[C@H]2CCN(C(C)=O)c3ccccc32)cc1C#N 366831693 NJKBUCWPPUECEM-SFHVURJKSA-N 335.407 3.154 30 50 EGEA COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)C2(C#N)CCCC2)C1 263957931 CRJSMHSIQMEKRS-CQSZACIVSA-N 347.846 3.127 30 50 EGEA Cc1nc(N2CCN(c3ccncc3)[C@@H](C)C2)c(Cl)cc1C#N 882820750 ZGKNOHCVLHJTAT-LBPRGKRZSA-N 327.819 3.025 30 50 EGEA CC(C)Oc1ccnc(N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)n1 1776000234 QPCLGNLLEGGCAV-UHFFFAOYSA-N 345.252 3.032 30 50 EGEA CNc1ccc(C#N)cc1NC(=O)c1cnn(Cc2ccccc2)c1 170619902 QGVTZUGYVGMLGI-UHFFFAOYSA-N 331.379 3.097 30 50 EGEA N#CC1(C(=O)N[C@@H]2CCOc3c(Br)cccc32)CCCC1 281837987 WGOTXSQCUWGRMY-CYBMUJFWSA-N 349.228 3.473 30 50 EGEA COc1cc(N/C(S)=N\Cc2cccnc2)cc(OC)c1OC 13521075 HRJVCHJURJIQNY-UHFFFAOYSA-N 333.413 3.005 30 50 EGEA N#Cc1c(NC(=O)c2ccc3c(c2)OCCO3)sc2c1CCC2 310815 FIHQCSNDVLXIHV-UHFFFAOYSA-N 326.377 3.132 30 50 EGEA COc1cccc([C@@H]2CCN2C(=O)c2ccc(C#CC(C)(C)O)cc2)c1 65526059 VVDUGNCRTUALON-FQEVSTJZSA-N 349.430 3.405 30 50 EGEA CC(=O)N(C1CCC1)[C@@H]1CCCN(/C(O)=N/[C@@H]2CCC[C@H]2C)CC1 328636701 OFYKKZOXVHUONP-ZTFGCOKTSA-N 335.492 3.345 30 50 EGEA CC(C)[C@H](/N=C(/O)c1ccccn1)C(=O)N1CC(C)(C)[C@H]1C1CC1 330215209 GWLFMTWLQXVLCL-JKSUJKDBSA-N 329.444 3.058 30 50 EGEA COc1ccc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)cc1CN(C)C 71708116 NZPPFQUFXAMFSW-UHFFFAOYSA-N 347.422 3.268 30 50 EGEA C=CC[C@@]1(CO)CCCN(Cc2ccc(OC(C)C)c(CO)c2)C1 91651138 CCINYGOAIZRAGD-HXUWFJFHSA-N 333.472 3.117 30 50 EGEA Cc1nn(C)c(C)c1/C(=N/Nc1cccc(C(=O)O)c1)C(F)(F)F 170626732 DJESDYWMSDBSIX-MOSHPQCFSA-N 340.305 3.114 30 50 EGEA Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)nnn1CC1CCCC1 408515095 LYJYMTBSDMGZBB-AWEZNQCLSA-N 348.410 3.143 30 50 EGEA C=CCN(CC=C)CCOc1ccc(I)cc1 20272631 PSBWVLHVBCKULU-UHFFFAOYSA-N 343.208 3.344 30 50 EGEA CC(=O)OCC/N=C(/O)Cc1csc(COc2ccc(C)cc2)n1 328591177 VGPAQMRKLCRQOA-UHFFFAOYSA-N 348.424 3.093 30 50 EGEA CC1(C)OB(C2CCN(C(=O)OCC(F)(F)F)CC2)OC1(C)C 952994341 RMTBCKCKOMHIBU-UHFFFAOYSA-N 337.147 3.244 30 50 EGEA N#Cc1cc(O)cc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c1 408515132 BDIQYURGIDVGHN-UHFFFAOYSA-N 346.346 3.444 30 50 EGEA CC(C)Oc1cccc(-c2nnc(S)n2/N=C/c2cccnc2)c1 5817437 XNKIRPLNGPTTHC-YBFXNURJSA-N 339.424 3.298 30 50 EGEA Cc1cc(N2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)nc(C)c1C#N 2356145004 WSADYMBULVTSTF-NRFANRHFSA-N 346.434 3.085 30 50 EGEA C=CCN1C(=O)[C@]2(NCCc3c2[nH]c2ccc(C)cc32)c2ccccc21 20064218 SDAUBHXFSFYAAR-QFIPXVFZSA-N 343.430 3.398 30 50 EGEA biogenic Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)c1cnn2c1CCCC2 125579766 OJZCCZHJMWBLIZ-CQSZACIVSA-N 346.390 3.215 30 50 EGEA COCCOc1ccc(C(=O)/C=C/c2oc(C)nc2C)cc1OC 864087055 ORJXQNMCQCMOKM-SOFGYWHQSA-N 331.368 3.221 30 50 EGEA C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1O 264523347 INOJVPSIVOUVHQ-VNHYZAJKSA-N 333.457 3.363 30 50 EGEA C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@@]2(C)/C(=C\CO)CC[C@H]12 257356031 FIMYJWIQTVIDQB-JRSSNDGBSA-N 328.452 3.184 30 50 EGEA CC[C@H](CC#N)NC(=O)Nc1cccc2c1CN(c1ccccn1)C2 274680416 WTDMOJKKQNFMTF-OAHLLOKOSA-N 335.411 3.416 30 50 EGEA COc1cccc([C@@H]2C[C@H](O)CN2Cc2cc(F)ccc2C#N)c1 282434647 ZDKDEJWWPRWJTH-HKUYNNGSSA-N 326.371 3.014 30 50 EGEA COCc1nc([C@@H]2CCCCN2Cc2ccc(Cl)cc2C#N)n[nH]1 408473962 VWYBNAZAUBYTGR-HNNXBMFYSA-N 345.834 3.203 30 50 EGEA CC[C@H](CC#N)NC(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 221834899 NIKVBZDRMOWLTA-YQQAZPJKSA-N 344.459 3.110 30 50 EGEA Cc1ccc(CN2CCN(/N=C\c3ccccc3[N+](=O)[O-])CC2)cc1 19773005 RUTRRWUAQQIVOZ-ZHZULCJRSA-N 338.411 3.055 30 50 EGEA C(=N/Nc1cc(N2CCCC2)nc(N2CCCC2)n1)\c1ccccc1 4591484 WKUCAPVZVIGYRU-HMMYKYKNSA-N 336.443 3.123 30 50 EGEA N#Cc1cc(NC[C@H]2CCC[C@@H]3CCCCN32)c([N+](=O)[O-])cc1C#N 4628961 TWZKYQDKKNQNIW-JKSUJKDBSA-N 339.399 3.157 30 50 EGEA N#Cc1cc(Oc2ccc(NC(=O)NCc3ccncc3)cc2)ccn1 353751401 DWKUHHBYMGLDSC-UHFFFAOYSA-N 345.362 3.462 30 50 EGEA C[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(C#N)cc1 252672812 QOFZSBVWYJZGPC-KYNGSXCRSA-N 335.407 3.449 30 50 EGEA Cc1nnc([C@H]2CCCN(C(=O)c3cc(C#N)ccc3Cl)[C@H]2C)o1 886085018 UVKKFMMYPMMDAF-GWCFXTLKSA-N 344.802 3.311 30 50 EGEA CC(C)N1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 225455272 YVLBUUBWHXCQTO-UHFFFAOYSA-N 337.471 3.014 30 50 EGEA N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 225516795 LYGRVSZXIURWDT-NJDAHSKKSA-N 345.446 3.199 30 50 EGEA C=CCN(Cc1ccsc1)C(=O)c1cnc(-c2ccccn2)nc1 1506405966 CZSUEOGNXOKUOH-UHFFFAOYSA-N 336.420 3.429 30 50 EGEA CO/C(=N\C(=N\S(=O)(=O)c1ccccc1)c1ccccc1)SC 15922327 AIZYONHKCAFZQF-UNXSSPOQSA-N 348.449 3.188 30 50 EGEA O=C(C[n+]1ccc(Cc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 3123052 BYKHHPMJQVHJEI-UHFFFAOYSA-N 333.367 3.356 30 50 EGEA N#C[C@H](NC(=O)c1ncncc1Cl)c1cccc(Cl)c1Cl 175213053 AHQZCQLZMRLOSJ-JTQLQIEISA-N 341.585 3.431 30 50 EGEA COc1ccc(OC)c(-c2nc(CN3CCC(C#N)CC3)c(C)o2)c1 71639266 OGVJZUQWCNFYTO-UHFFFAOYSA-N 341.411 3.403 30 50 EGEA C#CCCC1(CCC(=O)NCC(C)(C)N2C[C@@H](C)C[C@H](C)C2)N=N1 952883215 VGEITABPKKKMTK-HOTGVXAUSA-N 332.492 3.215 30 50 EGEA Cc1cc(CN[C@H](CN2CCCC2=O)c2ccccc2)ccc1C#N 408514757 DCDSHZSQQBSJNN-HXUWFJFHSA-N 333.435 3.320 30 50 EGEA N#CC1(C(=O)N[C@H]2CCOc3c(Br)cccc32)CCCC1 281837988 WGOTXSQCUWGRMY-ZDUSSCGKSA-N 349.228 3.473 30 50 EGEA CN(C)CCOc1ccccc1-c1cc(-c2ccco2)nc(N)c1C#N 67872438 ICLKRWUSBUIXLK-UHFFFAOYSA-N 348.406 3.403 30 50 EGEA O=[N+]([O-])c1cccc(/C=N/n2c(S)nnc2-c2cccs2)c1 4050369 TZATXLFKOOWMKD-RIYZIHGNSA-N 331.382 3.086 30 50 EGEA C[C@@H]1C[C@@H]1c1ccc(CN(CC(=O)N[C@](C)(C#N)C2CC2)C2CC2)o1 245285981 ZWUPXVBEWYSVCT-ASUYLVSUSA-N 341.455 3.176 30 50 EGEA COc1cc(O)c(/C=C/C(=O)c2ccc(OC)c(OC)c2)c(OC)c1 252479485 BGEVJUMWUMFIFP-VOTSOKGWSA-N 344.363 3.323 30 50 EGEA C#CC(=O)Nc1cc(OC)c(C(=O)N[C@@H]2CCCC[C@H]2C)cc1Cl 1875387857 BCHLZFABNOYXPT-BXUZGUMPSA-N 348.830 3.229 30 50 EGEA C[C@H](NCc1ccc(C#CCO)s1)c1ccccc1-n1cccn1 952976198 UYJRURGLLBJWGD-HNNXBMFYSA-N 337.448 3.128 30 50 EGEA C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2nncc2C)cc1 5073585 KGLXOHXLIZALSS-CPNJWEJPSA-N 336.355 3.320 30 50 EGEA Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccccc2F)cc1 17782580 VWLPEKBLJHROIX-INIZCTEOSA-N 325.339 3.342 30 50 EGEA C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(O)c1 2896312 GTVBBDCSVVVQSH-SFHVURJKSA-N 339.391 3.089 30 50 EGEA C=CCOc1ccccc1CN1CC[C@]2(CCCN(C(C)=O)C2)C1 67605724 UCJPKENNEUWHRJ-HXUWFJFHSA-N 328.456 3.086 30 50 EGEA COc1cc(-c2cc(C3CCC3)nc(N)c2C#N)cc(OC)c1OC 71763596 UYUILGIVHKVHOG-UHFFFAOYSA-N 339.395 3.496 30 50 EGEA N#C[C@@H]1CCCN(C(=O)NCc2ccc(C(F)(F)F)cc2F)C1 426584828 PURLKIQKFOPWNR-JTQLQIEISA-N 329.297 3.290 30 50 EGEA CC1(C)OB(c2cc(F)ccc2OCc2ccccn2)OC1(C)C 384464729 VMGAJDSAVDURKB-UHFFFAOYSA-N 329.180 3.099 30 50 EGEA Cn1cc([C@@H]2CCN(Cc3cc(C#N)ccc3Br)C2)cn1 191792358 PCTKMYTVPKVCJD-CYBMUJFWSA-N 345.244 3.044 30 50 EGEA COc1ccc(/C=N/NC(=S)Nc2ccccc2)c(OC)c1OC 731228 RSMGOJOYNVIKHB-WOJGMQOQSA-N 345.424 3.033 30 50 EGEA C[C@H]1CN([C@H](CNCc2cccc(C#N)c2)c2cccs2)CCO1 252506056 OQMCZLKPTLMEML-MAUKXSAKSA-N 341.480 3.171 30 50 EGEA N#C[C@H]1N(C(=O)Cc2ccc(Cl)s2)CCC[C@@]12CCCCO2 253395327 ZQPPQTQJZQZPPD-CJNGLKHVSA-N 338.860 3.398 30 50 EGEA C=CCN(C(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1ccccc1 157324447 KGJRYHLMUWMHDP-UHFFFAOYSA-N 349.365 3.204 30 50 EGEA N#Cc1csc(C(=O)NC2CCN(CCc3ccccc3)CC2)c1 176943136 SHJXKDVONDMXSW-UHFFFAOYSA-N 339.464 3.057 30 50 EGEA CS[C@@H](CO)[C@H](C)Nc1c(C#N)cnc2c(F)c(F)c(F)cc12 281080919 BUWMOXHRVHPELH-CPCISQLKSA-N 341.358 3.048 30 50 EGEA C=C[C@](C)(C[C@H]1C[C@H]2CC[C@H]1C2)OC(=O)C[C@@H]1CCS(=O)(=O)C1 225401293 PEILSFBSOICGPW-YXISZKLHSA-N 340.485 3.125 30 50 EGEA N#Cc1ccc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1F 192125663 PRWSTHZPZWKLRS-RDTXWAMCSA-N 332.325 3.283 30 50 EGEA N#Cc1ccnc(NCc2ccnc(OC3CCOCC3)c2)c1Cl 225820485 BDBUPECIZYAMIB-UHFFFAOYSA-N 344.802 3.172 30 50 EGEA Cc1nnc(SCC(=O)Nc2ccc(C#N)cc2)n1-c1ccccc1 6334956 NUMKRQQCZBAYFW-UHFFFAOYSA-N 349.419 3.178 30 50 EGEA C=CCc1cccc(OC)c1OCCCCN1CCN(CC)CC1 23076579 KMLHFGBTURVANI-UHFFFAOYSA-N 332.488 3.220 30 50 EGEA N#Cc1ccnc(NCc2ccc(-n3cnc4ccccc43)nc2)c1 367728603 MEQUSJVWUMKORH-UHFFFAOYSA-N 326.363 3.299 30 50 EGEA Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(C)C1(C#N)CCC1 225753382 LLZMMYRQNLZTFK-UHFFFAOYSA-N 332.347 3.081 30 50 EGEA COc1cc2[nH]c(C3=C(O)CC(C)(C)CC3=O)cc(=O)c2cc1OC 334157671 VKPIHTOEXSIQIK-UHFFFAOYSA-N 343.379 3.204 30 50 EGEA N#C[C@]1(C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)CCCOC1 875629392 QPBXHBHWFZHOGC-WLYUNCDWSA-N 330.350 3.078 30 50 EGEA C#CCOc1ccccc1NC(=O)N1CCO[C@@H](c2ccsc2)C1 188040787 MEIQWYKURFSIHG-QGZVFWFLSA-N 342.420 3.366 30 50 EGEA Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(Br)cc1 443672 WGVUNFSULJBNAU-UFWORHAWSA-N 344.216 3.330 30 50 EGEA Oc1ccccc1/C=N/N1CCN(Cc2ccccc2Cl)CC1 19771348 ARDWODGNHLSJCV-DEDYPNTBSA-N 329.831 3.197 30 50 EGEA Cc1cc(N2CCc3nc(O)c(C#N)cc3C2)c2ccc(F)cc2n1 2325858421 MGKNROUDQRFMPM-UHFFFAOYSA-N 334.354 3.217 30 50 EGEA C=CCn1cnc2sc(C(=O)Nc3ccccc3)c(C)c2c1=O 132451 PHKNASLGSXNGQN-UHFFFAOYSA-N 325.393 3.205 30 50 EGEA N#Cc1ccc(CCC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 331593149 NBFWGXNMAWDZGL-IPMKNSEASA-N 326.440 3.033 30 50 EGEA N#Cc1cc2cc(Br)cc(Br)c2nc1N 19850938 PPUZTSAXSJFDBB-UHFFFAOYSA-N 326.979 3.214 30 50 EGEA C=CCN1CC2(CCC1=O)CCN(C(=O)Nc1cccc(F)c1)CC2 91636304 LCABLRPCXGGIJE-UHFFFAOYSA-N 345.418 3.248 30 50 EGEA CC[C@H]1C=CCN1C(=O)c1cccc(-c2ccnc(OC)c2C#N)c1 299774825 JHSJQAFLWWBCIY-INIZCTEOSA-N 333.391 3.419 30 50 EGEA Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCC[C@H](C)CC3)CC2)o1 194212342 BGAUPINWJJCLKZ-BBRMVZONSA-N 344.459 3.156 30 50 EGEA C=CCc1cccc(/C=N/N2CCN(Cc3ccccc3)CC2)c1O 19891494 LWAMRPZXYOPFHT-CJLVFECKSA-N 335.451 3.272 30 50 EGEA C=CCn1c(Cc2ccccc2)nc2c(cnn2-c2ccccc2)c1=O 127198 QQYJYVHPQFHFBJ-UHFFFAOYSA-N 342.402 3.359 30 50 EGEA C=CCN(Cc1cccc(OC)c1)C(=O)c1cc(CCC)nn1C 55392986 SXOJUCVXLGTUQL-UHFFFAOYSA-N 327.428 3.210 30 50 EGEA CC1(C)OB(c2c(C(F)(F)F)nc3ccccc3c2O)OC1(C)C 170004742 DHDFYBKARYMCQJ-UHFFFAOYSA-N 339.122 3.258 30 50 EGEA CCN(CC(=O)O)C1CC(/N=C(/O)CCc2ccc(C)cc2C)C1 328655837 YUGHVYFZPTZFPD-UHFFFAOYSA-N 332.444 3.130 30 50 EGEA N#C[C@@H]1CCC[C@H]1NC(=O)c1csc(=Nc2cc(F)cc(F)c2)[nH]1 450039884 GJZPJCHSJABJIF-TVQRCGJNSA-N 348.378 3.009 30 50 EGEA C[C@]12CC[C@@H]3[C@H](CC[C@]45O[C@@H]4OC(=O)CC[C@]35C)[C@H]1CC[C@@]2(C)O 257356188 GRVLFUXZSFWPQB-XVKSGNMISA-N 334.456 3.412 30 50 EGEA C#Cc1cccc(N(Cc2cccs2)C(=O)Cc2cnn(C)c2)c1 170846116 AFLWRDJMTNKKDV-UHFFFAOYSA-N 335.432 3.239 30 50 EGEA C[C@@H](C/N=C/c1ccc2c(c1)OCO2)/N=C/c1ccc2c(c1)OCO2 529001 NLRMZZTTXIWARR-CIOMMYQFSA-N 338.363 3.071 30 50 EGEA CC1(C)C(c2ccc(Cl)cc2)=[N+]([O-])[C@]2(CCCC/C2=N\O)N1O 18031206 MKRQJVVJLNXSSG-APVMCDBPSA-N 337.807 3.223 30 50 EGEA Cc1c(Cl)cccc1-c1ccc(/C=N/N=C2\NC(=O)CS2)o1 12372479 YLSOEPQUJQMKDW-REZTVBANSA-N 333.800 3.461 30 50 EGEA C#CCCC1(CCC(=O)NCc2cc(C)n(-c3cccnc3)c2C)N=N1 2325886638 DAIUHDMJRIVNDN-UHFFFAOYSA-N 349.438 3.461 30 50 EGEA COc1cc(OC)c(OC)cc1/C=C/C(=O)c1c(O)cccc1OC 48057072 CPMSKLLYXILFHA-CMDGGOBGSA-N 344.363 3.323 30 50 EGEA N#Cc1ccccc1N1CCN(Cc2cc3ccccc3o2)CC1=O 82107275 GTWDHBCERUXALX-UHFFFAOYSA-N 331.375 3.153 30 50 EGEA C=CCCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 15078021 VDWUQUDSENNRBG-FQEVSTJZSA-N 344.430 3.133 30 50 EGEA C=CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 6706782 ILEQZWKSUGRVMV-UHFFFAOYSA-N 349.408 3.069 30 50 EGEA CC(C)c1ncc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)cn1 67934580 HHBGCLKMSWUDQO-UHFFFAOYSA-N 331.379 3.488 30 50 EGEA Cc1nnc(N2CC[C@H](Oc3ccccc3Cl)C2)c(C#N)c1C 131799138 XRABIEAAWFTVLQ-ZDUSSCGKSA-N 328.803 3.276 30 50 EGEA COc1cccc([C@H]2C[C@@H](O)CN2Cc2cc(F)ccc2C#N)c1 282434649 ZDKDEJWWPRWJTH-IEBWSBKVSA-N 326.371 3.014 30 50 EGEA CN(C)/C=C/C=C/C(=O)c1cccc(C(=O)/C=C/C=C/N(C)C)c1O 19336476 RJCDDTVNXWLJCA-IQGJCENESA-N 340.423 3.021 30 50 EGEA COc1ccccc1CN(C1CC1)S(=O)(=O)CC1(C#N)CCCC1 353423053 CPYGXBAHAFGXDJ-UHFFFAOYSA-N 348.468 3.073 30 50 EGEA CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(O)=Nc1ccc2ccoc2c1 329037874 NKQQHVDLIZSBOG-GVDBMIGSSA-N 344.411 3.494 30 50 EGEA O=S1(=O)CCC[C@@H](/N=C(/O)C2(Cc3cccc(F)c3)CCC2)C1 330073962 KWSJPNKGPGVHRG-OAHLLOKOSA-N 339.432 3.072 30 50 EGEA Cn1c([C@H](C#N)C(=O)c2noc3c2CCCCC3)nc2ccccc21 158768389 CMWVBHMLTOFQJM-CYBMUJFWSA-N 334.379 3.320 30 50 EGEA C[C@@H]1CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@H](C)CO1 247099239 JQCNPJBXLSNPAA-RBSFLKMASA-N 347.484 3.129 30 50 EGEA COc1cc(/C=N/O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2837513 UHJKIECXLPKLFS-OVCLIPMQSA-N 333.256 3.112 30 50 EGEA Cc1ccnc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1C#N 253427033 VJCMPNRKJFPBOI-MRXNPFEDSA-N 345.349 3.441 30 50 EGEA C[C@@H](Oc1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1)C(=O)O 375588295 RGFURALZZDEDQD-NASPGAHYSA-N 342.322 3.336 30 50 EGEA C#CCCC1(CCC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)N=N1 952881112 KVSGNKHROXEYOI-SJLPKXTDSA-N 325.412 3.379 30 50 EGEA C=CCN1C[C@@H](C(=O)Nc2cccc(Cl)c2OCCC)CC1=O 952860190 HLSMEGHQYOUIQD-LBPRGKRZSA-N 336.819 3.102 30 50 EGEA O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2nccs2)c1 5670147 DUJGOJFPMZBDQG-WLRTZDKTSA-N 328.147 3.270 30 50 EGEA Cc1cccc(C[C@@H]2S/C(=N/N=C/c3ccccc3C)NC2=O)c1 4964799 FMKCKTDIZYSMJI-RONKMWSCSA-N 337.448 3.468 30 50 EGEA CC[C@H](C)Oc1cccc(Cn2ccc3nc(O)c(C#N)cc3c2=O)c1 67674588 CMTXEZAMEDTHAL-ZDUSSCGKSA-N 349.390 3.199 30 50 EGEA Cc1cnn([C@H]2CCCN(c3ncc(Br)cc3C#N)C2)c1 297096735 KYQPTMARNKEJLH-AWEZNQCLSA-N 346.232 3.062 30 50 EGEA Cc1ccc(S(=O)(=O)O[C@H]2[C@H]3[C@H]4S[C@@H]5[C@@H]6CC[C@@H]([C@H]3[C@H]46)[C@H]25)cc1 247996641 BNRVSUWIRICMPT-RFBPDVSCSA-N 348.489 3.085 30 50 EGEA Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccc(OC(C)C)cc2)n1 460987 QRIOKAULVAVZCA-YBFXNURJSA-N 338.415 3.058 30 50 EGEA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O/N=C(\N)c1ccncc1 5077602 XQVKGGCMDQTQOI-CYBMUJFWSA-N 341.411 3.010 30 50 EGEA Cc1nc(N2CCC(Cc3ccc(O)nc3)CC2)c(C#N)c(C)c1C 1772819416 LAXWBILFMDVHEO-UHFFFAOYSA-N 336.439 3.438 30 50 EGEA CN(Cc1ccccc1)[C@H]1CCCN(C(=O)C#Cc2ccccc2)C1 12707404 UNSCKPLMKVOQES-NRFANRHFSA-N 332.447 3.161 30 50 EGEA C/C(O)=C1\C(=O)[C@@H]2c3c[nH]c4cccc(c34)C[C@@H]2C(C)(C)N(C)C1=O 12956093 WJCPGKDPOYBOOJ-NRXCIGNBSA-N 338.407 3.076 30 50 EGEA C#CCCC1(CCC(=O)Nc2ccc3oc(CN(C)C)nc3c2)N=N1 2325892289 IAQOMSINYKWAMG-UHFFFAOYSA-N 339.399 3.184 30 50 EGEA O=C(/C=C/c1ccccc1)C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21 565140 DJKAQRZCSJVIRP-IWHGQQBYSA-N 327.767 3.152 30 50 EGEA CC#CC(=O)Nc1ccc(N2CCC(OC)CC2)c(C(F)(F)F)c1 801149373 JJDFBSXSXUOIOI-UHFFFAOYSA-N 340.345 3.282 30 50 EGEA Cc1cccc[n+]1CC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2842456 FXYWLSVRNRMHRX-UHFFFAOYSA-O 331.395 3.418 30 50 EGEA C=C(C)COc1ccc(C(=O)N2CCC[C@H]2c2nonc2C)cc1 55325850 PMWBZSGVAMCANO-INIZCTEOSA-N 327.384 3.310 30 50 EGEA Cn1cc(C/C(O)=N/Cc2nc(-c3ccccc3F)cs2)cn1 328588089 SAAMMBVSMROLSB-UHFFFAOYSA-N 330.388 3.382 30 50 EGEA CCn1ccnc1[C@@H]1CCCCN1/C(O)=N/[C@@H](C)Cc1cc(C)[nH]n1 330277207 NXTGCMPAXODSCV-BBRMVZONSA-N 344.463 3.007 30 50 EGEA CN/C(=N/C[C@H]1CCCO[C@H]1c1ccc(C)cc1)NCc1ccco1 241401069 NAYNUQFXHWDVSZ-MJGOQNOKSA-N 341.455 3.421 30 50 EGEA CC(C)Oc1ccc(-c2cc(-c3cc[nH]c3)nc(N)c2C#N)cc1CO 71775871 REDBAYBCUKWHMA-UHFFFAOYSA-N 348.406 3.477 30 50 EGEA C#CCCC1(CCC(=O)N2CCC[C@H](CN3CCC(C)CC3)C2)N=N1 952882078 PAOYGYKVPYDQHA-GOSISDBHSA-N 344.503 3.313 30 50 EGEA C#CCCCCC(=O)OCc1cccc(S[C@H]2CCN(C)C2=O)c1 888099187 CESWUHRQIXKSAP-KRWDZBQOSA-N 345.464 3.246 30 50 EGEA N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCCc3ccc(F)cc32)cc1 408515283 WKLVUNLHTMEDQD-KRWDZBQOSA-N 333.366 3.359 30 50 EGEA C/C(=N\Nc1nnc2c(n1)[nH]c1ccc(C)cc12)c1ccc(O)cc1 5008914 HGDSHYQZEFQFIQ-SRZZPIQSSA-N 332.367 3.356 30 50 EGEA Cc1sc2ccccc2c1C(=O)N1CCCn2nc(C#N)cc2C1 1857710396 VHSLUCDZUHYTCK-UHFFFAOYSA-N 336.420 3.324 30 50 EGEA Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccncc3)n2C)cc1 126104248 KVFIIKXVRNLYLY-INIZCTEOSA-N 335.436 3.413 30 50 EGEA C[C@]1(Br)C[C@H]1C(=O)NC1(c2ccc(C#N)cc2)CCC1 862144365 ZOVLTUYRCGSTNY-ZFWWWQNUSA-N 333.229 3.227 30 50 EGEA C#CCCC1(CCNC(=O)c2ccc(CN(CC)C3CC3)cc2)N=N1 2325891104 QSVSXYSWMIVGDO-UHFFFAOYSA-N 338.455 3.366 30 50 EGEA C#CCCC1(CCC(=O)NCCc2ccn(C3CCCC3)n2)N=N1 2325892765 BBQUUVYFLSUOSC-UHFFFAOYSA-N 327.432 3.013 30 50 EGEA CCC#CCN1CCOc2c(O)cc(-c3nc(C)cnc3C)cc2C1 67473424 IAPLHURKTUEXFS-UHFFFAOYSA-N 337.423 3.074 30 50 EGEA COc1cccc(N2CCC[C@@H](/N=C(/O)CCc3cnccn3)C2)c1 328588279 AURDZELJDGFCCH-MRXNPFEDSA-N 340.427 3.043 30 50 EGEA N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@@](O)(C2CC2)C1 373341810 RIRNGXOYEWSBQG-NRFANRHFSA-N 332.403 3.212 30 50 EGEA N#C[C@@H](C(=O)c1cnc2ccc(F)cc2c1)c1nnc2n1CCCCC2 179000261 YMRKZLMVDHKTKO-HNNXBMFYSA-N 349.369 3.182 30 50 EGEA Cc1nc(N2CCC(C#N)(c3ccccc3)CC2)cc([C@H]2C[C@@H](O)C2)n1 244659776 HIMKOUMTEBDCME-MAEOIBBWSA-N 348.450 3.085 30 50 EGEA C=CCCC1(C(=O)O)CCN(Cc2ccc3c(c2F)OCCO3)CC1 2325788177 RAHVUZOKVXYTHJ-UHFFFAOYSA-N 349.402 3.230 30 50 EGEA CO[C@](F)(C(=O)Nc1sc2c(c1C#N)CCCC2)C(F)(F)F 3616876 SFDYAXNJXSPGOH-GFCCVEGCSA-N 336.310 3.312 30 50 EGEA N#Cc1c(-c2ccco2)cc(-c2cc(CC(=O)O)cs2)nc1N 71736076 AOKUDENDLMYDQD-UHFFFAOYSA-N 325.349 3.151 30 50 EGEA CCCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](C#N)C2)cc1Cl 96179622 XIEZFYXRNJUBAW-LBPRGKRZSA-N 348.834 3.247 30 50 EGEA C=CCNCC[C@@H]1CCC(=O)N1Cc1cccc(C(F)(F)F)c1 12218366 IIIYMOUCCITOAV-HNNXBMFYSA-N 326.362 3.362 30 50 EGEA C/C(O)=C1\C(=O)[C@@H]2c3c[nH]c4cccc(c34)C[C@H]2C(C)(C)N(C)C1=O 12956083 WJCPGKDPOYBOOJ-FJTRLSIBSA-N 338.407 3.076 30 50 EGEA CN1C(=O)[C@](O)(CC(=O)/C=C/C=C/c2ccccc2)c2ccccc21 4535119 DHXLGCCCWUZASP-XANBPEORSA-N 333.387 3.079 30 50 EGEA Cc1noc(C)c1/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328617648 CYTHOZRTNLODPE-JTQLQIEISA-N 342.321 3.074 30 50 EGEA CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)ccc1OC(C)C 4915068 OUSFZFRCKRKVRP-AWEZNQCLSA-N 343.423 3.483 30 50 EGEA N#Cc1ccccc1CN1CC[C@H](CNC(=O)Nc2ccccc2)C1 67727206 BZUFDKFZKJHBEK-MRXNPFEDSA-N 334.423 3.202 30 50 EGEA C=CCOc1ccc(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]32)cc1 229987230 XRYYIAGFSKYPHT-PMPSAXMXSA-N 335.494 3.361 30 50 EGEA O/C(=N/[C@@H]1CCO[C@H](C2CC2)C1)Nc1nccn1-c1ccccc1 328595708 BNJSSOPSBDHGSB-ZBFHGGJFSA-N 326.400 3.156 30 50 EGEA C[C@@H](Nc1cnc(C#N)cn1)c1noc(-c2ccc(Cl)cc2)n1 126576583 ATVMSWHXLKOOKT-SECBINFHSA-N 326.747 3.225 30 50 EGEA CN(C)c1ccccc1CN(C)c1ccc(Br)c(C#N)n1 1875326478 DPRVRLZGVFHLFV-UHFFFAOYSA-N 345.244 3.418 30 50 EGEA N=C(NOC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccncc1 13572095 PRKFUFAUXKJWDS-UHFFFAOYSA-N 331.375 3.364 30 50 EGEA CC(=O)N(C1CCC1)[C@@H]1CCCN(/C(O)=N/[C@H]2C=CCCC2)CC1 328655243 YFIYOSTVWBHZDL-FUHWJXTLSA-N 333.476 3.265 30 50 EGEA O=S(=O)(/N=C/c1ccc(Br)cc1)c1cccs1 55548 QDBJFRLQQSVCQR-MDWZMJQESA-N 330.228 3.318 30 50 EGEA N#CCc1ccc(OC[C@H](O)CNCc2cccc3occc23)cc1 2325756816 UWGYUGAZGGZHPT-QGZVFWFLSA-N 336.391 3.028 30 50 EGEA O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccco1)n1ncnc1N2 8968900 IGBCCXRSSNBCGZ-UGSOOPFHSA-N 332.363 3.287 30 50 EGEA Cc1cc(C)c(C(=O)N(CC#Cc2ccccc2)C2CCCC2)c(=O)[nH]1 65406195 YGWIWTKLUFZRRQ-UHFFFAOYSA-N 348.446 3.428 30 50 EGEA N#Cc1ccc(N[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)nc1 72474879 BFZOYICBUFEIMZ-CQSZACIVSA-N 347.344 3.448 30 50 EGEA CCOc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2C#N)c2ccccc12 170652037 AELAPTBHIVKOLU-BBRMVZONSA-N 344.436 3.209 30 50 EGEA CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1noc2ccccc12 408515248 PXUKREBSJHDNHM-UHFFFAOYSA-N 335.363 3.173 30 50 EGEA Cc1ccc(OC2CN(Cc3ccc(C#CC(C)(C)O)s3)C2)cc1 1506397326 SBXODRDZZGNKOL-UHFFFAOYSA-N 341.476 3.442 30 50 EGEA N#Cc1nc2c(nc1C#N)-c1ccccc1/C2=N\OCc1ccccc1 34984745 GKOWDIBLCDZJHF-NCELDCMTSA-N 337.342 3.170 30 50 EGEA Cc1cc(OCC(=O)O/N=C(\N)c2ccccc2)cc(C)c1Cl 8576163 ZWNDWWBNOIJCHX-UHFFFAOYSA-N 332.787 3.199 30 50 EGEA CCCN(CCC)S(=O)(=O)c1nc(C)c(Cl)c(C)c1C#N 1446064 ILLWUYGWDKQXIL-UHFFFAOYSA-N 329.853 3.034 30 50 EGEA C=CCn1cc(-c2cc(-c3cn(CCC)nc3C)nc(N)c2C#N)cn1 71761240 CDHSAMSGGNIQLI-UHFFFAOYSA-N 347.426 3.167 30 50 EGEA COc1ccc(C(=O)[C@@H]2CCCN(c3cccc(C#N)n3)C2)cc1F 71748155 DRCDKXQLNUACGG-CQSZACIVSA-N 339.370 3.200 30 50 EGEA Cc1ccc(Sc2nc3ccc(C)cn3c(=O)c2/C=N/O)cc1 13111251 YCOPFXDJNALDLX-GIJQJNRQSA-N 325.393 3.271 30 50 EGEA C=CCN1CCN(C2CCN(c3ccc(C)c(Cl)c3)CC2)CC1 1506397944 ZMOKKLDDRDWCCE-UHFFFAOYSA-N 333.907 3.421 30 50 EGEA CCC(CC)n1ncc(/C(O)=N/Cc2ccc(C(=O)OC)cn2)c1C 328593686 YIJKKYIUPUYAPZ-UHFFFAOYSA-N 344.415 3.239 30 50 EGEA CO/N=C\c1c(Sc2ccccc2C(=O)OC)nc2sccn12 5210033 MMRJQCNTZJITNK-SXGWCWSVSA-N 347.421 3.314 30 50 EGEA Cc1ccnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1C#N 253427214 XRKSGUTXDKPSSR-GFCCVEGCSA-N 335.333 3.319 30 50 EGEA Cc1cc(-c2ccc(C(=O)NCCN3CCCC3)cc2)nc(C)c1C#N 534656027 VKVMQHKEYAUDDV-UHFFFAOYSA-N 348.450 3.063 30 50 EGEA C#CCCC1(CCC(=O)Nc2ccc(N3CCCCC3)nc2)N=N1 952880649 HLEFJWVXRRYGEI-UHFFFAOYSA-N 325.416 3.366 30 50 EGEA C=CCN(Cc1ccc(C)s1)C(=O)c1cnc(C2CC2)nc1O 1506429433 UONYLZIPEMBAKP-UHFFFAOYSA-N 329.425 3.258 30 50 EGEA Cc1nc(CN2C[C@@H](F)C[C@H]2CNCc2cccc(C#N)c2)cs1 328645188 SCCOOESXGKWXHV-WMZOPIPTSA-N 344.459 3.025 30 50 EGEA N#Cc1cc(Br)cnc1NCCNC1CCCCCC1 261843214 VXDNTHJTCJNHRB-UHFFFAOYSA-N 337.265 3.440 30 50 EGEA CC(=O)c1ccc(NC2=C(N(C)C)C(=O)c3ccccc3C2=O)cc1 4476864 NYRNELPTSTYRAL-UHFFFAOYSA-N 334.375 3.154 30 50 EGEA C=CCN(CC#Cc1ccccc1)C(=O)c1coc2c1C(=O)CCC2 55393551 XJXSMCGPUSVTMJ-UHFFFAOYSA-N 333.387 3.479 30 50 EGEA CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cccnc1 101163295 WJPKBMAABYJLFS-QGZVFWFLSA-N 346.386 3.213 30 50 EGEA C=CCN(C)C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 157542518 MSPSKKJBAMSRGD-UHFFFAOYSA-N 325.368 3.228 30 50 EGEA N#CC1(CCCN2CCC[C@](CO)(c3ccccc3)C2)CCOCC1 374556597 NLLBCNDWAPLTDZ-NRFANRHFSA-N 342.483 3.113 30 50 EGEA CC(C)c1cc(-c2ccc(O[C@H](C)C(=O)O)cc2)c(C#N)c(N)n1 71388764 ICGVVBYSTBPIPS-LLVKDONJSA-N 325.368 3.178 30 50 EGEA Oc1cccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)c1 1241421 PIIYOZQJGPXARV-RQZCQDPDSA-N 330.800 3.475 30 50 EGEA CCOc1cc(/C=C2/C(=O)c3ccc([N+](=O)[O-])cc3C2=O)ccc1O 1772493190 MXAGVLKYXLFIAX-AUWJEWJLSA-N 339.303 3.162 30 50 EGEA CCCCc1c(C)nc(N/N=C(\C)c2cccc([N+](=O)[O-])c2)[nH]c1=O 16512855 LOQGXSWPQRLDIW-RGVLZGJSSA-N 343.387 3.165 30 50 EGEA C#CCCC1(CCC(=O)NC(C)(C)c2ccc(C(=O)O)cc2)N=N1 2325901170 WQKPWXUGNDMQIM-UHFFFAOYSA-N 327.384 3.092 30 50 EGEA N/C(=N\OC(=O)c1ccc(F)cc1)c1ccc(Br)cc1 4957583 OVPYGWCZTZCEKD-UHFFFAOYSA-N 337.148 3.066 30 50 EGEA CC1(C)OB(c2ccc(F)cc2C(=O)NC2CCCCC2)OC1(C)C 170004125 MJNYSBMHLWZYIT-UHFFFAOYSA-N 347.239 3.187 30 50 EGEA CN(/C(N)=N/C[C@@H]1CCCN(C)[C@@H]1c1cccc(Cl)c1)C1CC1 252570765 XCJFIBMJSUDHRY-WMLDXEAASA-N 334.895 3.132 30 50 EGEA Cc1nnc(S)n1-c1cccc(NC(=O)c2sccc2C#N)c1 158223161 XABDDZFOVWMDTE-UHFFFAOYSA-N 341.421 3.050 30 50 EGEA Cc1ccc([C@@H]2CCCN2[C@@H]2CCN(c3sccc3C#N)C2=O)o1 267579463 FYKXXUGFYCTLRC-LSDHHAIUSA-N 341.436 3.464 30 50 EGEA N#Cc1nccc(N2CCC(c3nccc(-c4ccccc4)n3)CC2)n1 952895300 TZDQTODYYUFEMT-UHFFFAOYSA-N 342.406 3.189 30 50 EGEA N#C[C@H](NC(=O)C1SCCS1)c1cccc(Cl)c1Cl 408513696 FKLZOLGKRHSSNJ-VIFPVBQESA-N 333.265 3.480 30 50 EGEA O=c1c(/C=N/Cc2ccco2)c(NCc2ccco2)nc2ccccn12 133044 COWCBVNPSRSXAB-DEDYPNTBSA-N 348.362 3.112 30 50 EGEA C[C@H](NC(=O)N1CCC([C@@H]2CCCO2)CC1)c1cccc(C#N)c1 253429789 UPWULCYLILYBES-KSSFIOAISA-N 327.428 3.220 30 50 EGEA N#Cc1c2n(c3c(=O)n(Cc4ccc(Cl)cc4)cnc13)CCCC2 179123 PKVFTWWFLHZYOV-UHFFFAOYSA-N 338.798 3.108 30 50 EGEA C=CCNc1ccccc1C(=O)N(C)CCOc1ccccc1OC 55414991 OTXIEMACEHNYTE-UHFFFAOYSA-N 340.423 3.444 30 50 EGEA CCO[C@@H]1C[C@@H](/N=C(/O)[C@H]2C[C@@H]2c2cccc(O)c2)C12CCOCC2 328588791 QBMYWKBIAXSNKZ-XMTFNYHQSA-N 345.439 3.426 30 50 EGEA COCc1nc2n(n1)CCC[C@@H]2/N=C/c1c(O)ccc2ccccc12 155090650 LXAXQRBAZCUBKW-YODDIOPGSA-N 336.395 3.237 30 50 EGEA N#C[C@@H](C(=O)c1cnn2c1CCCC2)c1nc(-c2ccncc2)cs1 125667765 RLUNRIXATYNUNH-ZDUSSCGKSA-N 349.419 3.228 30 50 EGEA Cc1nc([C@@H]2CCOC2)cc(N2CCC(C#N)(c3ccccc3)CC2)n1 426634320 PTPIMYYFYRZJOA-QGZVFWFLSA-N 348.450 3.351 30 50 EGEA C=CCn1cc(CN2CCC[C@H](c3ccc(C(=O)O)cc3)C2)c(C)n1 95381272 NEJHDYVDECEXEN-SFHVURJKSA-N 339.439 3.455 30 50 EGEA C#CCOc1cc(C(=O)N[C@H](CC)c2cc(C)ccn2)ccc1OC 534631823 LLBHTEYCWKDANS-MRXNPFEDSA-N 338.407 3.292 30 50 EGEA C#CCCC1(CCC(=O)NCC(C)(C)N2C[C@H](C)C[C@@H](C)C2)N=N1 952883227 VGEITABPKKKMTK-HZPDHXFCSA-N 332.492 3.215 30 50 EGEA C=C(CNC(=O)N1CCC[C@H](Cc2nc(C)no2)C1)c1ccccc1 894850198 VHRDSTNYVPWERE-MRXNPFEDSA-N 340.427 3.056 30 50 EGEA CCc1cnc(CNc2c(C#N)cnc3c(OC)cc(OC)cc23)[nH]1 1472877059 AHSXYSLXWDCZQY-UHFFFAOYSA-N 337.383 3.021 30 50 EGEA CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2ccc(C#CCCO)cc2)C1 65372116 ALWLOKWUOYEUNZ-HKBOAZHASA-N 343.467 3.191 30 50 EGEA Cc1nc(C)c(/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)s1 328629118 OKQSYZFZPGZNCC-GJZGRUSLSA-N 330.457 3.153 30 50 EGEA N#Cc1ccnc(N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)c1 92080614 HOSCKFRFNRLYKH-HXUWFJFHSA-N 338.455 3.105 30 50 EGEA N#Cc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)c1 95377987 LRRBLSNZVBJUFD-TZIWHRDSSA-N 345.446 3.295 30 50 EGEA C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC[C@@H](C)C4)[C@H]3[C@H]3O[C@]132 1772492825 CSUXALKSMYDBAB-JBAAOHBASA-N 347.499 3.244 30 50 EGEA CC(C)(C)OC(=O)Nc1cc(F)ccc1B1OC(C)(C)C(C)(C)O1 203587649 CHIICTVONKERBF-UHFFFAOYSA-N 337.200 3.472 30 50 EGEA in-vitro C=CCN(CC1CCCCC1)C(=O)c1ccc2c(c1)C(=O)NCCO2 932595055 NAKNDNWANJINQF-UHFFFAOYSA-N 342.439 3.017 30 50 EGEA N#Cc1ccc(-c2cccs2)nc1SCCN1CCOCC1 20406640 VNEISUIOFJHKJN-UHFFFAOYSA-N 331.466 3.106 30 50 EGEA Cc1noc([C@H](/N=C(/O)Cc2ccccc2C)C2CCOCC2)n1 328610454 HXETUFZALGCFPF-QGZVFWFLSA-N 329.400 3.353 30 50 EGEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1cc([N+](=O)[O-])ccc1Cl 4913032 XNSUECSSSDXDAY-LLVKDONJSA-N 348.786 3.495 30 50 EGEA C=CC[C@]1(C(=O)O)CCCN(Cc2ccc(OC)c(COC)c2)C1 91829594 KLOJPQFRXJPJHS-IBGZPJMESA-N 333.428 3.085 30 50 EGEA CC(C)Oc1ccc(NCc2ccc(F)c(C#N)c2)cc1C(N)=O 225545612 ZLAPNCLCHVSAAT-UHFFFAOYSA-N 327.359 3.196 30 50 EGEA N#CCCN(CCC#N)C(=O)CSc1nc2ccccc2s1 5629182 YHOIGHYBQISIHM-UHFFFAOYSA-N 330.438 3.044 30 50 EGEA C[C@H](N/C(O)=N/C[C@@H]1CCCN1C1CCCCC1)C1CCOCC1 328587720 GEIMRYCZDPOFQC-YJBOKZPZSA-N 337.508 3.102 30 50 EGEA N#CCSc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1 6508831 SPUQNYDPPLQLCG-UHFFFAOYSA-N 330.843 3.245 30 50 EGEA COC[C@@H]1CCCN(CC/N=C(/O)CSc2ccc(F)cc2)C1 328591251 GJVYRTBWOUPISU-CQSZACIVSA-N 340.464 3.233 30 50 EGEA Cc1nc([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(C)c2)cs1 253425524 DCDIIUXJAXSQOE-MRXNPFEDSA-N 347.465 3.157 30 50 EGEA C[C@H](CC1CCCC1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 241383385 MUZKANIISIPJEJ-BMFZPTHFSA-N 349.475 3.078 30 50 EGEA C=CCn1c(SCc2csc(CC)n2)nnc1C1CCNCC1 426582804 KEVMEPMZZGGCSM-UHFFFAOYSA-N 349.529 3.242 30 50 EGEA N#Cc1cccc(N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)n1 91695177 BHQHCCJAZWURCL-HXUWFJFHSA-N 338.455 3.105 30 50 EGEA N#Cc1cnc(NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cn1 185246959 DMQYLGUAJYOHII-UHFFFAOYSA-N 344.300 3.165 30 50 EGEA COc1ccc(-c2ncc(C(=O)N3CC(F)(F)C[C@H]3C#N)s2)cc1 1875370369 MHWQFFZKKUFPTA-NSHDSACASA-N 349.362 3.192 30 50 EGEA Cn1nccc1[C@@H]1OCC[C@H]1C/N=C(/O)c1sccc1C1CC1 329196822 TYEWJIVTNPSLFQ-SWLSCSKDSA-N 331.441 3.441 30 50 EGEA CCOc1ccc(C(=O)/C=C(\Nc2ccc(OC)cc2)C(=O)O)cc1 4754655 KBJBPTAPIHHLLK-ATVHPVEESA-N 341.363 3.357 30 50 EGEA N#Cc1ccc(N2CCC(C(=O)NC[C@H]3CC[C@@H](F)C3)CC2)c(F)c1 1875276968 RSIGACRLXFGHQV-GOEBONIOSA-N 347.409 3.168 30 50 EGEA Cc1cc(C)c2c(c1)/C(=N/O[C@@H](C)c1nnc(CC(C)C)o1)C(=O)N2 170650992 KSEOQVTVYVOSKM-LBPRGKRZSA-N 342.399 3.319 30 50 EGEA COCCN(CC(F)(F)F)C(=O)c1cccc(F)c1C(F)(F)F 1875303412 UZSDGKLMGDVETA-UHFFFAOYSA-N 347.230 3.495 30 50 EGEA C#CCOC(=O)C1[C@H](c2ccccc2)C(C(=O)O)[C@H]1c1ccccc1 5093438 QQMHNDZUFXEMMS-YYZRRKBYSA-N 334.371 3.061 30 50 EGEA C#CCCC1(CCC(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2)N=N1 2325892421 MULCYMMTUVRBDH-KRWDZBQOSA-N 338.455 3.436 30 50 EGEA O=S(=O)(CCSc1ccc(Cl)cc1)OCC(F)(F)F 1746555 BREVYARHNDMDFA-UHFFFAOYSA-N 334.768 3.341 30 50 EGEA O=[N+]([O-])c1ccc(N/N=C/c2ccc3ccccc3n2)c([N+](=O)[O-])c1 4997166 DKQUYADERJQLPB-LICLKQGHSA-N 337.295 3.497 30 50 EGEA N#Cc1cc(F)c(C(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)c(F)c1 333701133 HCFAMLQQQNZNBV-QGZVFWFLSA-N 346.377 3.258 30 50 EGEA O=C1COc2ccc(/C=C3/COc4ccc(Cl)cc4C3=O)cc2N1 195308107 VSTPFOYLRLJXGI-WZUFQYTHSA-N 341.750 3.330 30 50 EGEA Oc1ccccc1/C=N/n1c(S)nnc1-c1ccccc1Cl 1275149 LBJXTNKRBYEIPB-RQZCQDPDSA-N 330.800 3.475 30 50 EGEA COc1ccc(O)c(/C=N/NC(=S)Nc2cccc(Cl)c2)c1 4360417 QQOWAHYTENHEKP-RQZCQDPDSA-N 335.816 3.375 30 50 EGEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)/C(O)=N/CCC1=CCCC1 328626937 MFODBBIOFYGMKD-OALUTQOASA-N 342.487 3.421 30 50 EGEA COc1cc(CN2C[C@H](O)C[C@@H]2c2ccc(F)cc2)ccc1C#N 343334421 GSLNWCBWDBEBOB-QZTJIDSGSA-N 326.371 3.014 30 50 EGEA N#Cc1cc(C[C@H]2CCN(C(=O)c3cccc4nc[nH]c34)C2)ccc1F 2325792738 JKTYNSZAKWQEEB-CQSZACIVSA-N 348.381 3.278 30 50 EGEA COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(F)cc2)c1 536451 ZRTXXARWKAJJSZ-KRWDZBQOSA-N 341.338 3.323 30 50 EGEA COc1ccccc1/N=C1\c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1C(C)=O 100707461 IJZHYDGDBNTRCW-QBHGPPCGSA-N 338.319 3.126 30 50 EGEA C=CCOc1ccc(C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 229987248 XRYYIAGFSKYPHT-OAGGEKHMSA-N 335.494 3.361 30 50 EGEA C[C@@H]1CN(C2CCOCC2)CCN1C(O)=Nc1ccc2ccoc2c1 330195735 PJYWAORJSFZKPO-CQSZACIVSA-N 343.427 3.163 30 50 EGEA Cn1nc(C2CC2)cc1NC(=O)c1ccc(N2CCCC2)c(C#N)c1 1875265674 SNRIFASRSBBMHS-UHFFFAOYSA-N 335.411 3.022 30 50 EGEA Cc1ccc(NCC(=O)N[C@@](C)(C#N)C(C)C)c(Br)c1 170600432 OXSDWDGPJGFZDG-HNNXBMFYSA-N 338.249 3.224 30 50 EGEA CC[C@@](C)(C#N)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 225552994 RKHHUYUPTSWUNP-AWEZNQCLSA-N 338.289 3.177 30 50 EGEA CCN(CC)c1ccc(-n2c(C)cc(/C=N/n3cnnc3)c2C)cc1 858520 KCQBKXSOBVRIPB-WSDLNYQXSA-N 336.443 3.414 30 50 EGEA C[C@H]1CN(c2c3c(c(C#N)c4nc5ccccc5n24)CCC3)C[C@@H](C)O1 13775363 ODDCOAJSJSWGGF-OKILXGFUSA-N 346.434 3.461 30 50 EGEA CC(C)(C)OC(=O)n1nc(B2OC(C)(C)C(C)(C)O2)c2ccccc21 169893904 NJYPEWHUZBKSQM-UHFFFAOYSA-N 344.220 3.119 30 50 EGEA N#Cc1cc(NC[C@H]2CCC[C@H]3CCCCN32)c([N+](=O)[O-])cc1C#N 4628958 TWZKYQDKKNQNIW-HZPDHXFCSA-N 339.399 3.157 30 50 EGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1 196646 JYXNWRVDKRYTIA-AWEZNQCLSA-N 347.798 3.194 30 50 EGEA OC(=Nc1ccc(F)c(C2CC2)c1)N[C@H]1CCO[C@@]2(CCOC2)C1 328588699 VLQQLUWMYXIZLY-KSSFIOAISA-N 334.391 3.176 30 50 EGEA Cc1c(NC2CCC3(CCCO3)CC2)cccc1/C(O)=N/CCO 328588725 NIAFVIJFQOERIB-UHFFFAOYSA-N 332.444 3.196 30 50 EGEA COCCn1cc2c(n1)[C@H](/N=C(/O)c1ccoc1C1CC1)CCC2 328586655 TVLPDDBWVUFVPG-OAHLLOKOSA-N 329.400 3.382 30 50 EGEA N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)o1 367752282 HLHDDOMOMWMBOY-QAPCUYQASA-N 342.420 3.241 30 50 EGEA C[C@H]1CN(Cc2ccc(C#N)cc2)CCN1Cc1cc(C#N)ccc1F 170596436 UOMHHIWHHINQOP-INIZCTEOSA-N 348.425 3.275 30 50 EGEA N#Cc1cc2c(nc1SCC(=O)Nc1cccc(F)c1)CCC2 803766 LLWWOJIICWRSBK-UHFFFAOYSA-N 327.384 3.312 30 50 EGEA COc1ccc(CNC=C2C(=O)CC(c3ccccc3)CC2=O)cc1 100613469 CYLLFZFVYWTNCM-UHFFFAOYSA-N 335.403 3.385 30 50 EGEA Cc1cc(-n2nc(C)nc2-c2cccc(C#CC(C)(C)O)c2)ccn1 65436015 DHKJBDWCVZMAQX-UHFFFAOYSA-N 332.407 3.069 30 50 EGEA CNC(=O)c1ccc([C@H]2CCCCN2Cc2ccc(C#N)s2)n1C 328655794 YRTHQRNAZUHESO-MRXNPFEDSA-N 342.468 3.045 30 50 EGEA CN(C)c1cc(N=C(O)N2CCC[C@](C)(c3ccccc3)C2)ncn1 329792805 VHDUAMNLGVWVOP-IBGZPJMESA-N 339.443 3.142 30 50 EGEA COc1cc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O 4488869 ROKHFNYOTVOAOB-JTQLQIEISA-N 349.814 3.301 30 50 EGEA O=C(CNC(=O)c1ccco1)Nc1ccccc1C#Cc1ccccc1 359875715 IYCZUEXZJAOXRG-UHFFFAOYSA-N 344.370 3.048 30 50 EGEA C=CCn1cccc1C(=O)NCc1c(C)nn(-c2ccccc2)c1C 488593763 JKZVPHGLLHOJCU-UHFFFAOYSA-N 334.423 3.407 30 50 EGEA N#Cc1ccc(F)cc1CN1CCOC[C@H]1C[C@H](O)c1cccs1 161524382 AFSWUAVETVAWPY-SJORKVTESA-N 346.427 3.083 30 50 EGEA CO[C@@]12CC[C@H](OCC3CC3)C[C@@H]1N(Cc1ccc(C#N)cc1)CC2 426612986 UKYLTSJBLNLBSZ-PCCBWWKXSA-N 340.467 3.497 30 50 EGEA C=C(C)COc1ccccc1NC(=O)N1CCC(n2cnnc2)CC1 97499521 JZSCPUQBHOXIDC-UHFFFAOYSA-N 341.415 3.102 30 50 EGEA C=CC[C@]1(NC(=O)c2cc3cc(C(=O)O)sc3s2)CCOC1 1875315829 JIHHUQLXMPFHEA-HNNXBMFYSA-N 337.422 3.126 30 50 EGEA CN(c1cccnn1)C1CCN(c2ccc(C#N)c(Cl)c2)CC1 241897229 TWTGPTIFVMOLRI-UHFFFAOYSA-N 327.819 3.107 30 50 EGEA O=C1C[C@@H](c2cccc(O)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 4520707 POCQRVFBQCBVFQ-OCCSQVGLSA-N 339.416 3.458 30 50 EGEA CCOC(=O)[C@H](C#N)[C@]1(Cc2ccccc2)C[C@H](C)N(C)C[C@@H]1C 4696770 ISTLFIQBNBWVQL-DUPRYPCISA-N 328.456 3.278 30 50 EGEA Oc1ccc(Br)cc1/C=N/Nc1nccnc1Cl 4947220 KEPJSWWDSLRROQ-OMCISZLKSA-N 327.569 3.044 30 50 EGEA C=CCN(Cc1ccc(C)s1)C(=O)c1ccc(-n2cnnc2)cc1 55254009 RKQHKVIFOXUSEP-UHFFFAOYSA-N 338.436 3.466 30 50 EGEA CC[C@@H]1C[C@H](/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)CCO1 328642885 YPLOEGCBBXGFJB-SPUZQDLCSA-N 331.460 3.236 30 50 EGEA C=C[C@H]1CCCCN1CC(=O)Nc1cc(C)nn1-c1ccccc1F 489441264 QSHPCUBNWCVMML-HNNXBMFYSA-N 342.418 3.299 30 50 EGEA C=CCOc1ccccc1NC(=O)N[C@H](C)c1nncn1CCC 97551211 ISRLBBWLOSIZAI-CYBMUJFWSA-N 329.404 3.136 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@H]32)N=N1 1875381927 LGKWSGMONMTSKB-USXIJHARSA-N 327.815 3.450 30 50 EGEA CC(C)[C@@H]1O[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@@H]2c1ccccc1 169308204 LDYURYAXCISGAL-YEWFCNIMSA-N 334.379 3.092 30 50 EGEA C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)[C@@H](C)CC(=O)O 390834865 JLKVYKGJSWVYPZ-RNHPDXJNSA-N 338.320 3.038 30 50 EGEA Cc1ccc(OCCN(C)Cc2cc(C#CCO)cs2)c(C)c1 55153174 CYCIKKSSHIHHOT-UHFFFAOYSA-N 329.465 3.220 30 50 EGEA CC1=NN(c2ccc(C(=O)N3CCc4c(C#N)cccc43)cc2)CC1 421652329 QTJCNBGCZIYJDM-UHFFFAOYSA-N 330.391 3.347 30 50 EGEA C=CCN(Cc1ccc(SC)cc1)C[C@H]1[C@@H]2CN(C(C)=O)C[C@H]12 102261782 MJLJGOXZYZFCIV-LDLYASANSA-N 330.497 3.121 30 50 EGEA CCc1noc(C)c1N=C(O)[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C 328610743 JBMYCRYIEQDXCK-LRDDRELGSA-N 332.404 3.262 30 50 EGEA Cn1cc(Cl)c(C(=O)O/N=C/c2ccccc2C(F)(F)F)n1 2747318 YWOBRKQPXIWRNS-NGYBGAFCSA-N 331.681 3.283 30 50 EGEA CCc1ccc2[nH]c3nc(N/N=C/c4ccc(O)cc4)nnc3c2c1 5029581 MTCLBHMPZLYSMI-VXLYETTFSA-N 332.367 3.220 30 50 EGEA C=CCn1c(CN(C)C/C(C)=C/C)nnc1SC[C@@H]1CCCO1 14999673 ZJSOBHLUMIKGQT-HVJNQHDOSA-N 336.505 3.133 30 50 EGEA O/C(=N/[C@@H]1CCc2c[nH]nc2C1)[C@@H]1COc2ccc(Cl)cc2C1 329880705 NVNCWHYFYSPGGW-GXTWGEPZSA-N 331.803 3.128 30 50 EGEA Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)cc1C#N 376154747 BANLNXPEKLEPFH-UXHICEINSA-N 334.419 3.105 30 50 EGEA COc1cccc([C@H]2CCN2C(=O)c2ccc(C#CC(C)(C)O)cc2)c1 65526058 VVDUGNCRTUALON-HXUWFJFHSA-N 349.430 3.405 30 50 EGEA CN(C)/C=C(/C(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 29763917 MWKSHDTXDCWIIH-VBKFSLOCSA-N 349.839 3.400 30 50 EGEA C=CCc1cc(CN2CCc3n[nH]cc3C2)cc(OC)c1OCC 820505669 RNAXIKWTYWPSHF-UHFFFAOYSA-N 327.428 3.104 30 50 EGEA COCc1nc([C@H]2CCCCN2Cc2ccc(Cl)cc2C#N)n[nH]1 408473963 VWYBNAZAUBYTGR-OAHLLOKOSA-N 345.834 3.203 30 50 EGEA C[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 172667444 YDQISMGPZHVVQV-AUUYWEPGSA-N 338.382 3.228 30 50 EGEA CCOc1cc(/C=C2/C(=O)c3cccc([N+](=O)[O-])c3C2=O)ccc1O 1772493199 SVEHPXSDXXLURS-WQLSENKSSA-N 339.303 3.162 30 50 EGEA Cc1c(Br)ccc(N=C(O)N2C[C@@H]3CC[C@H](C2)O3)c1F 328587832 JMCPVSTUOIUTJH-AOOOYVTPSA-N 343.196 3.305 30 50 EGEA Oc1ccccc1C=NN1CCN(Cc2ccccc2Cl)CC1 243893435 ARDWODGNHLSJCV-UHFFFAOYSA-N 329.831 3.197 30 50 EGEA COc1ccc(-c2nnc(S)n2N=Cc2cccc(OC)c2)cc1 252429352 GKSZGGZCSWWHQX-UHFFFAOYSA-N 340.408 3.133 30 50 EGEA N#Cc1ccc(NC2CC2)c(NS(=O)(=O)c2c(F)cccc2F)c1 170619887 KMUPYMGSPYJMSN-UHFFFAOYSA-N 349.362 3.212 30 50 EGEA N#CCc1ccccc1NC(=O)N1CCO[C@@H](c2ccccc2F)C1 225850747 DZVCMOWPCILYIG-GOSISDBHSA-N 339.370 3.497 30 50 EGEA CC(C)(C)OC(=O)N1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 201957799 QPJZARVRVXOYNV-UHFFFAOYSA-N 345.248 3.283 30 50 EGEA C[C@H](CCc1ccccc1)N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 6700587 IDJYMGIADFGRJN-CQSZACIVSA-N 346.434 3.096 30 50 EGEA CC1(C)CCN(/C(O)=N/[C@@H]2CCO[C@@]3(CCSC3)C2)CCS1 328589013 ZYOUXNYHRHBVJZ-CJNGLKHVSA-N 344.546 3.173 30 50 EGEA Cc1snc(SCc2n[nH]c(COc3ccccc3)n2)c1C#N 5721521 SXEIQVIXVOMZLO-UHFFFAOYSA-N 343.437 3.313 30 50 EGEA C[C@H]1CCC[C@@H](C)N1C/C(N)=N/OCc1noc(C2CCCCC2)n1 253428328 JDGZXYJNUOIAQT-OKILXGFUSA-N 349.479 3.169 30 50 EGEA COc1ncccc1C(=O)N(Cc1ccc(C#N)cc1)CC(F)(F)F 194658190 KGIYODSKVBTNGV-UHFFFAOYSA-N 349.312 3.167 30 50 EGEA COc1cccc(-c2nnc(S)n2/N=C/c2sccc2C)c1 5982090 WYGPPQMRUJTYCL-CXUHLZMHSA-N 330.438 3.495 30 50 EGEA C=CCNC(=O)N1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 12430981 PSWRVNWHUGDLDE-MRXNPFEDSA-N 330.428 3.264 30 50 EGEA C[C@@](O)(CNC(=O)N[C@@H](CCC#N)c1ccccc1)c1ccsc1 151303310 DZPOHZVFPNTFOO-FUHWJXTLSA-N 343.452 3.300 30 50 EGEA C=CCN(Cc1cccc(OCC)c1)C(=O)c1cnc(CC)nc1 55244758 JTSGKEAWNVAPDZ-UHFFFAOYSA-N 325.412 3.266 30 50 EGEA CCO[C@@H](/C(O)=N/Cc1ccc(C(=O)OC)cn1)c1ccccc1 328589778 BGTORSPNGOQOSG-MRXNPFEDSA-N 328.368 3.103 30 50 EGEA COc1ccc2c(c1)CN(C(=O)[C@H](C)c1cccc(C#N)c1)CCO2 456175812 IIAXKUQOSPEODC-CQSZACIVSA-N 336.391 3.092 30 50 EGEA O=S(=O)(c1ccccc1)[C@@H]1C[C@H]2C[C@H]1[C@]13O[C@@]21[C@H]1CC[C@H]3[C@@H]2C[C@H]12 257357104 MAUQNJAGWDVDED-BHVVOMJISA-N 342.460 3.052 30 50 EGEA CN(Cc1ccc(C#CCO)s1)C[C@@H]1CCN(c2ccccc2)C1 952986436 HUBZQRCEEGDQIH-KRWDZBQOSA-N 340.492 3.050 30 50 EGEA C=CCN1C(=O)/C(=C2\C=CC(C(F)(F)F)=CN2C)SC1=S 1193980 LGSMVYCAIGCQKW-KTKRTIGZSA-N 332.372 3.192 30 50 EGEA O=[N+]([O-])c1ccc(Cl)cc1/C=N/NC(=S)NC1CCCCC1 4209973 FKFWOMYBDGLNAP-CXUHLZMHSA-N 340.836 3.379 30 50 EGEA OC(=Nc1cc(Cl)c(Cl)cn1)N1CC[C@@H](CN2CCCC2)C1 328594620 ZMMTVESXZMJPAX-NSHDSACASA-N 343.258 3.352 30 50 EGEA CC(C)c1cc(/C(O)=N/[C@H]2CCCN(CC(F)(F)F)C2)cc(O)n1 330612124 PVWYESLXAWWXEE-LBPRGKRZSA-N 345.365 3.242 30 50 EGEA C#CCCC1(CCNC(=O)CO[C@@H]2CCCc3ccccc32)N=N1 2325886579 BATNJTHRKRZAJY-QGZVFWFLSA-N 325.412 3.162 30 50 EGEA CCCc1cc(N2CCN(CC)CC2)n2c(nc3ccccc32)c1C#N 352599 YHEKVFCNWFOOEA-UHFFFAOYSA-N 347.466 3.454 30 50 EGEA C=CCn1cc(CN[C@@H]2CCCN(Cc3ccccc3F)C2)c(C)n1 20598353 MFGJCQSTPJIQAZ-LJQANCHMSA-N 342.462 3.271 30 50 EGEA CN1C(=O)CCc2cc(C(=O)/C=C/c3cccc(C(=O)O)c3)ccc21 126491529 CQYXRRAPMCMVNX-WEVVVXLNSA-N 335.359 3.190 30 50 EGEA C[C@H]1CCCCN1c1cc(C(=O)Nc2ccc(C#N)c(C#N)c2)ccn1 152631273 STMFFQZCAYTIRV-AWEZNQCLSA-N 345.406 3.456 30 50 EGEA C=CCNCC[C@H]1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 299774802 JGJSCHBIWRJRPC-CQSZACIVSA-N 342.361 3.242 30 50 EGEA CC(C)(C)OC(=O)N1[C@H](CB2OC(C)(C)C(C)(C)O2)COC1(C)C 1772717047 QGVDMAIPXOFMJG-GFCCVEGCSA-N 341.257 3.451 30 50 EGEA CCc1ccc2[nH]c3nc(N/N=C/c4cccc(O)c4)nnc3c2c1 5030045 APDFKEMXGUJOMX-VXLYETTFSA-N 332.367 3.220 30 50 EGEA C=CCCC(=O)NC[C@H]1Cc2c(F)ccc(-c3ccncc3)c2O1 11840223 KRSFAIWPKCJSPY-CQSZACIVSA-N 326.371 3.274 30 50 EGEA N/C(=N\OC(=O)C1CCCCC1)c1cccc(Br)c1 4833533 UHKICGFKSRJQOJ-UHFFFAOYSA-N 325.206 3.193 30 50 EGEA C=CCN(Cc1cccnc1)[C@H](C(=O)O)c1cc(C)ccc1OC 55071619 TZWHEQCTWRMTIA-SFHVURJKSA-N 326.396 3.213 30 50 EGEA Cn1cncc1[C@@H]1C[C@H](/N=C(/O)c2cccc3c2CCC3)CCO1 328621588 HWELNVAZUBIQIK-KDOFPFPSSA-N 325.412 3.134 30 50 EGEA CC#CC(=O)N1CCC[C@@H](c2nc(C)ncc2-c2cccc(C)c2)C1 11784323 UFHLCERSBJLCJA-GOSISDBHSA-N 333.435 3.490 30 50 EGEA CCCC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1cccnc1 822830933 SMLLFCVLQUZCLJ-QGZVFWFLSA-N 329.425 3.163 30 50 EGEA C#CCCC1(CCC(=O)N[C@H](CC(=O)O)c2ccccc2Cl)N=N1 952876255 ISGUKTZKHYQXPW-CQSZACIVSA-N 347.802 3.328 30 50 EGEA Cc1ccccc1[C@@H](O)CNC(=O)CC1=C(c2ccccc2)CCC1=O 952970931 ICKZVVNBYGXFQV-NRFANRHFSA-N 349.430 3.351 30 50 EGEA N#CC1(C#N)[C@@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@@H](c1cccs1)O3 169685625 BVAZBPHICLDVKX-NSNWQYSKSA-N 338.392 3.257 30 50 EGEA O/C(=N/Cc1ccc(Cl)cc1F)N1CCC(c2cnc[nH]2)CC1 328588847 XEXSIHCRLDWDIL-UHFFFAOYSA-N 336.798 3.496 30 50 EGEA O/C(=N/CCOCc1ccc(Cl)cc1)[C@@H]1CCc2n[nH]cc2C1 328590333 MWYMAFHCVLIPBO-CYBMUJFWSA-N 333.819 3.341 30 50 EGEA N#Cc1ccc(N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cc1Cl 253392203 GISCPFDVWXVZBS-BFUOFWGJSA-N 348.793 3.062 30 50 EGEA Cc1cc([C@H](C)NCCS(=O)(=O)c2ccc(C#N)cc2)c(C)s1 163149208 WOVVAVXDMCUGRX-ZDUSSCGKSA-N 348.493 3.361 30 50 EGEA CC1=C(C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 447893 JDVZEATUSCXVGE-INIZCTEOSA-N 337.335 3.106 30 50 EGEA CCn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/[C@@H]1COc2ccccc21 328645965 ZWNUYZQDWHSMOG-CKEIUWERSA-N 327.384 3.071 30 50 EGEA N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](CSc2ccccc2)C1 253429356 RWPJONGYKVOWLW-ZDUSSCGKSA-N 340.408 3.480 30 50 EGEA CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1ccc(C#N)c(C)n1 253426604 HSRSIIAYZSOESS-UHFFFAOYSA-N 348.406 3.122 30 50 EGEA Cc1cc(N2CCC[C@@H]2C[C@@H](C)O)n2c(nc3ccccc32)c1C#N 133308196 SYLLAAKIILYGBE-HUUCEWRRSA-N 334.423 3.407 30 50 EGEA CC[C@H]1CN(c2nc(C)ccc2C#N)CCC(=O)N1Cc1ccccc1 71756869 ZPBTYJRPTQSOSO-IBGZPJMESA-N 348.450 3.279 30 50 EGEA C=CCc1cc(C(=O)N(C)C[C@H](C)CN2CCCC2)ccc1OC 1506422717 SNIPYQZVRWHBLX-INIZCTEOSA-N 330.472 3.228 30 50 EGEA C=CCNC(=O)c1coc(COc2ccc3ccc(OC)cc3c2)n1 11999309 SQCANWZDKWMCFR-UHFFFAOYSA-N 338.363 3.331 30 50 EGEA COc1cc(O)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 4100776 CEBBHGDAHZDJTP-FNORWQNLSA-N 344.363 3.323 30 50 EGEA biogenic N#Cc1c(-c2ccc(O)cc2)c(C#N)c2nc3ccccc3n2c1N 84095 DMVRZVGBLGRJRA-UHFFFAOYSA-N 325.331 3.186 30 50 EGEA N#Cc1ccsc1C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 299742946 KYCPJPLVYPOBBC-ZFWWWQNUSA-N 330.384 3.266 30 50 EGEA Oc1ccccc1C=Nn1c(S)nnc1-c1ccc(Cl)cc1 252429360 HCYHYCYKYZJWRG-UHFFFAOYSA-N 330.800 3.475 30 50 EGEA C#CCCC1(CCC(=O)N2CCCN(C)c3cc(F)ccc32)N=N1 952880870 JUVKZUPIBSUAOO-UHFFFAOYSA-N 328.391 3.354 30 50 EGEA C#CCCC1(CCC(=O)N[C@H](C)c2ccccc2-n2ccnc2)N=N1 1875368779 PELSYRJHNUIIFM-OAHLLOKOSA-N 335.411 3.405 30 50 EGEA CNC(=O)c1cnc(C=Cc2cccc(OCCCC#N)c2)s1 1857533352 YMACIMKMXNONDH-UHFFFAOYSA-N 327.409 3.356 30 50 EGEA N/C(=N\OC(=O)c1ccc(F)cc1)c1cccc(Br)c1 4832004 VSPCBLAWPSBBHN-UHFFFAOYSA-N 337.148 3.066 30 50 EGEA N#Cc1ccnc(N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)c1 285135807 SJQSPEHOMFCHSK-SWLSCSKDSA-N 333.313 3.284 30 50 EGEA C#CCCC1(CCC(=O)N=C2C[C@H](C)N(Cc3ccccc3)N2)N=N1 2325892409 MGLJTHAMWYZYHP-HNNXBMFYSA-N 337.427 3.066 30 50 EGEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)c2coc3ccccc23)C1 328631753 KVVKYHWLUNFWEL-UHFFFAOYSA-N 342.395 3.065 30 50 EGEA C=CCOc1ccccc1CN[C@H]1COc2c(cccc2OC)C1 20202808 RMSQFLYIYMKBLF-QGZVFWFLSA-N 325.408 3.353 30 50 EGEA COc1ccc(OC)c(/C=C/C(=O)c2c(O)cc(OC)cc2OC)c1 48057042 RHCLDCCTKQILMS-FNORWQNLSA-N 344.363 3.323 30 50 EGEA COC1(CNc2cc(C(F)(F)F)c(F)cc2C#N)CCOCC1 952880522 ONNHJVMDAUKLJS-UHFFFAOYSA-N 332.297 3.324 30 50 EGEA COCc1cc(CN=c2[nH]c3c(cc2C#N)CSCC3)ccc1F 1875313421 NPMIMEKEFKPHPX-UHFFFAOYSA-N 343.427 3.062 30 50 EGEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)c1cn(Cc2ccc(F)cc2)nn1 208889313 VCLNKPQQQZTESA-YOEHRIQHSA-N 340.402 3.201 30 50 EGEA N#Cc1cccnc1N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 128256876 PDBYCCVVOOCCRF-LSDHHAIUSA-N 333.313 3.284 30 50 EGEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 2837479 NAOZUHXAJDKWOV-AWEZNQCLSA-N 347.798 3.194 30 50 EGEA CCO[C@@H]1C[C@H](/N=C(/O)[C@@H]2CCCN2c2ccccc2)[C@]12CCCO2 330111711 BHTQFJPHYOKINB-PNYFIKQUSA-N 344.455 3.339 30 50 EGEA CO[C@](F)(C(=O)Nc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F 33355523 NURBVHMQIKPDIY-SECBINFHSA-N 341.129 3.195 30 50 EGEA N#Cc1cccc(-c2csc(NC(=O)[C@@H]3CCc4cn[nH]c4C3)n2)c1 161146262 HITOWUVZCLRMPZ-CYBMUJFWSA-N 349.419 3.148 30 50 EGEA CN1CCC(NC(=O)c2cccc(-c3ccc(F)c(C#N)c3)c2)CC1 426683953 RRPCHWOBGLMBKW-UHFFFAOYSA-N 337.398 3.188 30 50 EGEA Cc1nc2cc(Br)cc(NC(=O)CSCC#N)c2o1 191277611 ADIMTOKRKVAXFZ-UHFFFAOYSA-N 340.202 3.094 30 50 EGEA COc1cccc(/C(C)=N/N2CCN(c3ccccc3OC)CC2)c1 5605572 UTEQKVGIGNGNQB-LTGZKZEYSA-N 339.439 3.250 30 50 EGEA Cn1cc(CN[C@@H]2CCO[C@H](C3CC3)C2)c(-c2ccc(C#N)cc2)n1 156809041 IHNIFACETKEESN-MOPGFXCFSA-N 336.439 3.006 30 50 EGEA OC(=Nc1cccc(-c2noc(C3CC3)n2)c1)[C@H]1C[C@@H]1c1nc[nH]n1 328588482 PZFJFXMBWSGMKY-STQMWFEESA-N 336.355 3.124 30 50 EGEA C=CCN1C(=O)[C@@]2(NCCc3c2[nH]c2ccccc32)c2ccccc21 20064197 RWYJOGFEAKHHNP-OAQYLSRUSA-N 329.403 3.090 30 50 EGEA biogenic C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC 32167749 GKRMJALKMNRHGF-WARWBDHMSA-N 330.424 3.254 30 50 EGEA biogenic,in-vitro Cc1ccccc1-c1csc(NC(=O)Cc2noc(C)c2C#N)n1 354486698 GQGJMAOYROQZGU-UHFFFAOYSA-N 338.392 3.468 30 50 EGEA NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccccc1F 132158 STQVUUWOQYVEOK-UHFFFAOYSA-N 325.368 3.152 30 50 EGEA COC(=O)[C@]1(C)CCC[C@@]2(C)C1=C(OC(C)=O)C(=O)c1ccccc12 393180 HAUMAEDQWYEBSS-WOJBJXKFSA-N 342.391 3.321 30 50 EGEA CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)CCC3)cc1OCC 4915088 WJKWQLXCTIOPAT-CYBMUJFWSA-N 329.396 3.095 30 50 EGEA C=C(C)COc1ccc(NC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3N(C)C)cc1 102784391 NVJNXHFQDWYMFX-MNZLEMJZSA-N 343.471 3.445 30 50 EGEA C=CCOc1ccc2c(c1)NC(=O)C[C@H]2c1cnc(NCCC)nc1 65528077 TWNKHIMXZXXHGL-INIZCTEOSA-N 338.411 3.337 30 50 EGEA Cc1nn(-c2ccccc2)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1O 39424 NGLDORCRRLOQLY-GOSISDBHSA-N 334.379 3.445 30 50 EGEA C[C@H]1CCc2c(sc(NC(=O)/C=C/c3cnn(C)c3)c2C#N)C1 375833 BPFOCGKULYXCBI-MALLOTDXSA-N 326.425 3.130 30 50 EGEA COc1ccc(NC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)cc1C#N 95500065 FPLLBBRRCSXTTI-UHFFFAOYSA-N 341.415 3.251 30 50 EGEA COc1cc2c(cc1/C=C1/C(=O)Nc3cc(C#N)ccc31)O[C@H](C)C2 773158352 BVNUFHLZSHZUEB-PFJSLNBISA-N 332.359 3.383 30 50 EGEA O=c1c2c3c(sc2ncn1/N=C/c1ccc(F)cc1)CCCC3 119024 GIYHCSKXPGDAEI-AWQFTUOYSA-N 327.384 3.358 30 50 EGEA O=[N+]([O-])c1ccc(/C=C/C=N/n2c(S)nnc2-c2ccccc2)o1 5516934 AQILLCXDRJAPDR-LVVPDBGKSA-N 341.352 3.282 30 50 EGEA CCOC(=O)[C@H](C#N)[C@@]1(c2ccccc2OC)CCOC(C)(C)C1 206897 JKYAQPBLKAVSMJ-KXBFYZLASA-N 331.412 3.225 30 50 EGEA Cc1cc([C@@H](C#N)C(=O)OCc2ccccc2)c([N+](=O)[O-])cc1F 113276560 IYULZAQZZQQAFH-CQSZACIVSA-N 328.299 3.393 30 50 EGEA C=CCn1nc(C(=O)O)c2c1CC[C@@H](N(C)Cc1sccc1C)C2 67910119 UXMBBQJBMXUAAF-CYBMUJFWSA-N 345.468 3.127 30 50 EGEA CC1(C)OB(c2cc(F)ccc2OC[C@@H]2CCCCO2)OC1(C)C 384464674 UBZXQJADCQGFRP-AWEZNQCLSA-N 336.212 3.073 30 50 EGEA N#Cc1ccc(N2CCC(C(=O)NC[C@@H]3CC[C@H](F)C3)CC2)c(F)c1 1875276970 RSIGACRLXFGHQV-ZBFHGGJFSA-N 347.409 3.168 30 50 EGEA C(=N/N1CCOCC1)\c1cn(-c2ccccc2)nc1-c1ccccc1 2529540 YTQVYDMKDOFJLD-RCCKNPSSSA-N 332.407 3.205 30 50 EGEA O/C(=N/CCOCc1ccc(Cl)cc1)N[C@@H]1CCCc2c[nH]nc21 330032120 IPRTZDXDZHXPIB-OAHLLOKOSA-N 348.834 3.161 30 50 EGEA C[C@H]1CC(NCc2ccccc2)=CC(=O)[C@@H]1C(=O)NCc1ccccc1 100000758 GLBNMIOAGOTENI-HRAATJIYSA-N 348.446 3.202 30 50 EGEA Cc1nc(NCCc2cc(-c3ccncc3)n[nH]2)c(Cl)cc1C#N 360051847 OJJCJXLVBOXSDM-UHFFFAOYSA-N 338.802 3.355 30 50 EGEA Cc1ccc(/C(N)=N/OC(=O)COc2ccc3ccccc3c2)cc1 5101918 CYYXUIMBRWEZSW-UHFFFAOYSA-N 334.375 3.391 30 50 EGEA COc1ccc(NC(=S)N/N=C/c2cc(OC)ccc2OC)cc1 2506464 DMTXMYLHAQAPSB-WOJGMQOQSA-N 345.424 3.033 30 50 EGEA C/C(O)=N/c1nc(SCc2ccc(Br)cc2)n[nH]1 5444066 LJVBRFXPICFQBR-UHFFFAOYSA-N 327.207 3.467 30 50 EGEA CC(C)(/C(O)=N/CC1C2CC3CC(C2)CC1C3)S(=O)(=O)C1CC1 328805195 KNVMVGOQKUTRGR-UHFFFAOYSA-N 339.501 3.371 30 50 EGEA N/C(=N\OC(=O)CC(c1ccccc1)c1ccccc1)c1ccccn1 4570769 NIZYYNJKBAVNEG-UHFFFAOYSA-N 345.402 3.467 30 50 EGEA C=C(C)COc1cccc(CNCCc2cn3nc(C)sc3n2)c1 55402587 FJCJKKQUKXEIEQ-UHFFFAOYSA-N 342.468 3.386 30 50 EGEA Cc1cc([C@H](C#N)C(=O)OCc2ccccc2)c([N+](=O)[O-])cc1F 113276561 IYULZAQZZQQAFH-AWEZNQCLSA-N 328.299 3.393 30 50 EGEA CC(=O)CCCC(=O)N1CC[C@H](C)C[C@H]1C/N=C(/O)OC(C)(C)C 328593320 QHEIAKHFZKQIOV-ZFWWWQNUSA-N 340.464 3.102 30 50 EGEA O=C(OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O 39226 WMSUFWLPZLCIHP-UHFFFAOYSA-N 337.331 3.016 30 50 EGEA biogenic,in-vitro CCCC(=O)N1CCc2nc(N)c(C#N)c(-c3cccc(F)c3)c2C1 72122573 HXLVHIPKWOMWAD-UHFFFAOYSA-N 338.386 3.026 30 50 EGEA Cc1c(CN2CCCN(Cc3ccc(F)cc3)CC2)cc(C#N)n1C 72174495 HHTJAWAKYPVAFC-UHFFFAOYSA-N 340.446 3.052 30 50 EGEA C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCc2[nH]ncc2C1 241383309 MUDWHMBNZMREDY-LLVKDONJSA-N 335.860 3.444 30 50 EGEA O=[N+]([O-])c1ccc(/N=C(\O)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 4897596 JTXXUBAUZSWINR-UHFFFAOYSA-N 328.495 3.461 30 50 EGEA O=C(CC1=C(c2cccs2)CCC1=O)Nc1cnc2n1CCCC2 67872363 SUDVHPSDMCJJDR-UHFFFAOYSA-N 341.436 3.426 30 50 EGEA CC(C)n1ccc(C(=O)N2CC[C@@H](CB3OC(C)(C)C(C)(C)O3)C2)n1 1875369014 VSSSXPOGHOFQRM-AWEZNQCLSA-N 347.268 3.018 30 50 EGEA CC(=O)/N=C(\Nc1nc(C)cc(C)n1)Nc1ccc(C)cc1Cl 13154176 LSYVZHWYHODZBO-UHFFFAOYSA-N 331.807 3.482 30 50 EGEA CCOC(=O)C1=C(C)N/C(=C\c2ccccc2C(F)(F)F)C1=O 18265403 HDBBGSLUKMZQDN-WQLSENKSSA-N 325.286 3.056 30 50 EGEA N#C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(NC(=O)C3CCC3)cn2)C1 2325781411 NHQJBMXPRQLGOI-UONOGXRCSA-N 340.427 3.479 30 50 EGEA Cc1ccc(CN2CCN(/N=C\c3ccc([N+](=O)[O-])cc3)CC2)cc1 22107574 DMNHFELRKXRCRA-ZHZULCJRSA-N 338.411 3.055 30 50 EGEA COC(=O)C[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccccc1 217607753 JWTFREBEOZEACE-OAHLLOKOSA-N 336.343 3.225 30 50 EGEA biogenic C=CCCC(=O)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 71751620 ZJKUDJMKILSTEY-HNNXBMFYSA-N 327.346 3.442 30 50 EGEA CCOC(=O)N1CCc2nc(N)c(C#N)c(-c3ccccc3C)c2C1 72153245 DEMPDDYIAXABAZ-UHFFFAOYSA-N 336.395 3.026 30 50 EGEA Cc1ccc(S(=O)(=O)O[C@H]2[C@H]3[C@@H]4[C@H]5[C@H]6CC[C@@H]4[C@H]2[C@@H]6S[C@H]53)cc1 247996646 BNRVSUWIRICMPT-YLGOOCKHSA-N 348.489 3.085 30 50 EGEA COc1ccc(CNc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)cc1 263624406 QEELMHOMTXOSJR-UHFFFAOYSA-N 340.232 3.002 30 50 EGEA C=CCc1cc(CN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)cc(OCC)c1OC 823358229 KUXJUSDCNVRGNO-QGFMHUBQSA-N 342.483 3.005 30 50 EGEA C[C@@H](Nc1ccc(Oc2ccccc2C#N)c(F)c1)c1nnnn1C 189851923 WQVDTWFJIDQXHZ-LLVKDONJSA-N 338.346 3.186 30 50 EGEA OCC#Cc1csc(CN[C@@H]2CCCN(CC3CCCCC3)C2)c1 19730685 PUWNQFVEHKGXBA-LJQANCHMSA-N 346.540 3.226 30 50 EGEA O/C(=N/[C@@H]1CCc2c[nH]nc2C1)[C@H]1COc2ccc(Cl)cc2C1 329880706 NVNCWHYFYSPGGW-TZMCWYRMSA-N 331.803 3.128 30 50 EGEA C#CCCC1(CCC(=O)N[C@@H]2CN(C3CC3)Cc3ccccc32)N=N1 2325899491 HCHOTDAXGIGPHG-GOSISDBHSA-N 336.439 3.178 30 50 EGEA N#Cc1c(N)[nH]c(=S)c(C#N)c1-c1ccc(Br)cc1 289324 FYFWIJUSTHHPGG-UHFFFAOYSA-N 331.198 3.499 30 50 EGEA C[C@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 127502393 JXYIPYMWUYUJGI-OLZOCXBDSA-N 338.367 3.144 30 50 EGEA N#Cc1c(-c2ccnn2-c2ccccc2)cc(-c2cc[nH]c2)nc1N 71767704 HLOYHEJDJRWAMC-UHFFFAOYSA-N 326.363 3.383 30 50 EGEA CCCn1ncc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c1C 215948880 RFKQWLJNYXEOJZ-UHFFFAOYSA-N 336.439 3.299 30 50 EGEA C=CCCS(=O)(=O)NCc1ccccc1COCc1ccccc1 130612682 ZOLWGJWVVIHKNR-UHFFFAOYSA-N 345.464 3.399 30 50 EGEA C=CC[C@]1(CO)CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1 92076854 PJROKHTYJKRQIJ-FQEVSTJZSA-N 328.456 3.078 30 50 EGEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)Cc2c(C)[nH]c3ccccc23)C1 91563490 QHRYATQARMEZGC-HXUWFJFHSA-N 340.423 3.288 30 50 EGEA CN(C)/C=N/n1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 4071382 YXKJCKZOHLSPPC-GIJQJNRQSA-N 332.816 3.131 30 50 EGEA O=C1c2cccc3cccc(c23)C(=O)N1/N=C/c1ccccc1[N+](=O)[O-] 59226 ZSYXGTIQESLADH-RGVLZGJSSA-N 345.314 3.378 30 50 EGEA O=C(O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1Cl 119300 OFYSZHOWCKXAQJ-UHFFFAOYSA-N 342.734 3.266 30 50 EGEA CC1=CC(=NOC(=O)c2ccc(Br)cc2)C=C(C)C1=O 457382 JUVXYFRZPNLNOP-UHFFFAOYSA-N 334.169 3.437 30 50 EGEA OC1=N[C@@H]2CCCC[C@H]2N(/C(O)=N/CC(F)(F)c2ccccc2)C1 329575083 AXLNRTAMTIBVBC-ZIAGYGMSSA-N 337.370 3.276 30 50 EGEA C#CC(=O)Nc1cc(OC)c(C(=O)N[C@H]2CCCC[C@@H]2C)cc1Cl 1875387858 BCHLZFABNOYXPT-FZMZJTMJSA-N 348.830 3.229 30 50 EGEA C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)c(O)c(F)c1 186716171 XAHWXWSEQXHGKK-UHFFFAOYSA-N 328.318 3.370 30 50 EGEA Cc1cs/c(=N\N=C\c2ccc(OCc3ccccc3)cc2)n1N 4833346 WPUHMIMHSXHULG-HVFCYKRDSA-N 338.436 3.086 30 50 EGEA NC1=C(c2nc3ccccc3s2)C(=O)CN1CCc1ccccc1 132180 LLSLSHBHLUJZFY-UHFFFAOYSA-N 335.432 3.051 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1O 3071509 IWRKYKIZMKEBJK-QGZVFWFLSA-N 341.407 3.169 30 50 EGEA COc1ccc(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1 170007569 LOSCNPZAODTFFR-UHFFFAOYSA-N 338.212 3.225 30 50 EGEA COCCN1C[C@@H](Cc2ccc(C3(C#N)CCCC3)cc2)CC1=O 219810297 HMGUSQUBDFNTMO-KRWDZBQOSA-N 326.440 3.059 30 50 EGEA C[C@@H](NCc1nccc(=N)[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 371705563 DRMSTJMVMBTWPU-CQSZACIVSA-N 329.407 3.279 30 50 EGEA CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccncc1 20560948 UNBFDZJSHAWRKP-KRWDZBQOSA-N 326.396 3.003 30 50 EGEA CC1(C)CN(c2ccnc(C#N)n2)[C@H]1c1nccn1Cc1ccccc1 952891980 BFBGCAYBNFEIAM-SFHVURJKSA-N 344.422 3.181 30 50 EGEA C[C@H]1CN(C(=O)Cc2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 172667445 YDQISMGPZHVVQV-IFXJQAMLSA-N 338.382 3.228 30 50 EGEA Cc1oc(-c2cnn(C)c2)nc1C(=O)Oc1ccc(C#N)c(Cl)c1 188854395 ANQSVJAKIUDAKF-UHFFFAOYSA-N 342.742 3.128 30 50 EGEA COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(F)c(C#N)c1 253416191 SWUBVMVYBCQZLM-UHFFFAOYSA-N 338.338 3.077 30 50 EGEA N#Cc1cnn2c(NCc3ccc(CN4CCCCC4)cc3)ccnc12 2325795881 CLMHFVNYMCXVCJ-UHFFFAOYSA-N 346.438 3.199 30 50 EGEA N#Cc1cccc(OCCCC/C(O)=N/Cc2cnc3nccn3c2)c1 328592227 SUWPBEYGHCHCEN-UHFFFAOYSA-N 349.394 3.307 30 50 EGEA Cc1ccc(/C(=N\c2ccccc2)NC(=S)N2CCOCC2)cc1 170623465 NIPCRIHJSCQSGP-UHFFFAOYSA-N 339.464 3.280 30 50 EGEA Cc1ccc([C@H](C/N=C(/O)[C@@H]2CCCC23OCCO3)N2CCCC2)o1 328590117 AWAUFCGYGOFIQX-HOTGVXAUSA-N 348.443 3.225 30 50 EGEA N#C[C@H]1CN(c2nc3ccccc3s2)C[C@@]12C(=O)Nc1ccccc12 241644422 PQOMZINQJDXRQC-HXPMCKFVSA-N 346.415 3.146 30 50 EGEA C=CCc1cc(-c2nccn2CC2(N(C)C)CCOCC2)ccc1O 82147491 JHGSPCVCOZDXBE-UHFFFAOYSA-N 341.455 3.095 30 50 EGEA N#Cc1ccc(N2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1C(F)(F)F 95830588 OPSIVAKKLQRWKC-VXGBXAGGSA-N 338.251 3.469 30 50 EGEA investigational C#CCSc1nnc2c3cc(Br)ccc3n(C)c2n1 820375212 MGPZKCYTSUZTLF-UHFFFAOYSA-N 333.214 3.004 30 50 EGEA C=CCC1(CSc2nnc(SCC(N)=O)s2)CCCC1 1775991387 KWNZNUTUKWSYPJ-UHFFFAOYSA-N 329.516 3.344 30 50 EGEA Cc1ccc(OCC(=O)O/N=C(\N)c2ccccc2Cl)cc1C 4819526 DOSZMCDSTKFSRG-UHFFFAOYSA-N 332.787 3.199 30 50 EGEA CC(=O)[C@H]1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N\c1cccc(F)c1 101405234 VCDXOPRMVXIJHU-RKDSPFTASA-N 326.283 3.256 30 50 EGEA Cc1cscc1N=C(O)N1CCOC[C@H]1c1nnc(C(C)C)o1 328637433 VYLDCPCJKBMBNH-LBPRGKRZSA-N 336.417 3.182 30 50 EGEA Cc1ccccc1[C@H]1C[C@H](C)N(S(=O)(=O)CC(C)(C)CC#N)C1 331326038 MPVMULXNPUIOGU-HOTGVXAUSA-N 334.485 3.443 30 50 EGEA Cc1c(Cl)cnc(N2CCC(OC[C@H]3CCCCO3)CC2)c1C#N 253426578 JQDKWXNZGUUZBQ-OAHLLOKOSA-N 349.862 3.470 30 50 EGEA CC#CCOc1c(Br)cc(CCO)cc1Br 170616293 VGQOXJZFYBIKFO-UHFFFAOYSA-N 348.034 3.149 30 50 EGEA CC1(C)OB(c2cc(Cl)cc(N3CCCCC3=O)c2)OC1(C)C 169955968 PMZHCKIJORTIHQ-UHFFFAOYSA-N 335.640 3.156 30 50 EGEA CCOC(=O)C1=C(C)N/C(=C/c2ccc(Cl)cc2Cl)C1=O 2498378 GWWAFXZKDRMDQB-WUXMJOGZSA-N 326.179 3.344 30 50 EGEA CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc([N+](=O)[O-])cc1 8465623 UXJIWGFMOOJHPL-INIZCTEOSA-N 346.383 3.460 30 50 EGEA Cc1nc2ccccc2c(=O)n1/N=C\c1ccc2ccccc2c1O 39944334 NSAWECSBDKFMHX-MTJSOVHGSA-N 329.359 3.446 30 50 EGEA C[C@@]1(C=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H]3[C@@H]3[C@H]2[C@H]2[C@H]1[C@@H]1CC[C@@H]5O[C@H](O4)[C@]3(C)[C@H]2[C@@H]51 254448418 GLLJQNVYACDGFA-IVMPMMCISA-N 340.463 3.126 30 50 EGEA CC(C)(O)C#Cc1ccc(C(=O)N2CCCC[C@H]2c2nccs2)o1 952973471 LGWNXSPSPGRYCO-AWEZNQCLSA-N 344.436 3.226 30 50 EGEA CSc1cccc(CNC(=O)c2ccc(C#CC(C)(C)O)o2)c1 952980718 RAWSYOQLQDYVLX-UHFFFAOYSA-N 329.421 3.054 30 50 EGEA CC#CC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 12465028 PGOITWXJFOWPIF-INIZCTEOSA-N 325.387 3.164 30 50 EGEA N/C(=N\OC(=O)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 18116612 DFPHGZWLKHBPOM-UHFFFAOYSA-N 335.319 3.225 30 50 EGEA aggregator CC(C)(C)O/C(O)=N/CC/C(O)=N/CCOc1cncc(Cl)c1 328589809 HRTXDYQCBNGWKE-UHFFFAOYSA-N 343.811 3.190 30 50 EGEA N#Cc1cn2c(nc1NC(=O)c1ccc(F)cc1)nc1ccccc12 388893 YOJLXZNEISZSNJ-UHFFFAOYSA-N 331.310 3.146 30 50 EGEA CCOC(=O)c1sc2nc(N)c(C#N)c(-c3cccs3)c2c1N 21630100 WVJNNHIFOZFXMV-UHFFFAOYSA-N 344.421 3.238 30 50 EGEA N#Cc1cccnc1N1CCC[C@@H](C(=O)c2cc(F)ccc2F)C1 71775816 BHTQZLTZSGYWEV-CYBMUJFWSA-N 327.334 3.331 30 50 EGEA C[C@H]1c2ccc(O)cc2CCN1C(=O)[C@@H](C)Oc1ccc(C#N)cc1 1875274749 XVQWFYYMWIBRRE-UONOGXRCSA-N 336.391 3.177 30 50 EGEA COc1ccc2ccccc2c1[C@@H]1NC(=S)NC(C)=C1C(C)=O 2475974 NLSCWBJYYSFMBG-QGZVFWFLSA-N 326.421 3.230 30 50 EGEA CC(C)[C@@H](C#N)CS(=O)(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 2325803990 NTPKTWRNVCMZAG-DZKIICNBSA-N 340.876 3.301 30 50 EGEA C[C@@](C#N)(CCc1ccccc1)NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 156593090 BCXICADPGLTBHQ-APZTZJSISA-N 338.451 3.413 30 50 EGEA N#CCCn1ccc(NC(=O)Nc2nc(-c3cccs3)ns2)n1 170605389 KCQNYLMRYYNKAL-UHFFFAOYSA-N 345.413 3.021 30 50 EGEA CC#Cc1ccc(COC(=O)[C@H]2CCCN2c2nccs2)cc1 225689594 FKIUHTCZNYBAEN-MRXNPFEDSA-N 326.421 3.227 30 50 EGEA C=CCc1cc(C(=O)N(C)C[C@@H](C)CN2CCCC2)ccc1OC 1506422718 SNIPYQZVRWHBLX-MRXNPFEDSA-N 330.472 3.228 30 50 EGEA C=C1C(=O)[C@]23CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)C2=CC[C@@]1(O)C3 209716609 MOEGAVNUGPZNDZ-CNVPOBLBSA-N 330.424 3.254 30 50 EGEA biogenic N#Cc1ccccc1CS(=O)(=O)c1oc(-c2ccccc2)nc1C#N 170623821 XOVMTRKOIODDKB-UHFFFAOYSA-N 349.371 3.059 30 50 EGEA Cc1ccc([C@H](NC(=O)N2CCC(C#N)CC2)c2ccncc2)cc1 426431717 DCTUUUROFKOSPC-IBGZPJMESA-N 334.423 3.425 30 50 EGEA Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1[C@@H](C)CCC[C@@H]1C 169982302 YZFDQWPDMUUBNQ-STQMWFEESA-N 343.471 3.079 30 50 EGEA N#CCCN(Cc1ccco1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 192610394 JSVLAVIRWQUGTC-LJQANCHMSA-N 348.406 3.063 30 50 EGEA Cc1nnc([C@@H]2CC23CCN(Cc2cc(C#N)ccc2F)CC3)o1 370823041 PSFGWZWMMCCTAG-HNNXBMFYSA-N 326.375 3.159 30 50 EGEA N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@](F)(CO)C1 376413511 KKUJDLNUQMSWOL-HXUWFJFHSA-N 338.382 3.162 30 50 EGEA N#Cc1ccccc1N1CCC(NCc2cnc3sccn23)CC1 2325777576 MIMJPCFTCRWPHZ-UHFFFAOYSA-N 337.452 3.026 30 50 EGEA C#CCCC1(CCC(=O)Nc2nc(C(=O)OC)c(C(C)C)s2)N=N1 2325892181 DAURTDKUGRNXHD-UHFFFAOYSA-N 348.428 3.347 30 50 EGEA Cc1snc(S(=O)(=O)Cc2c(F)cccc2Cl)c1C#N 1395852 BCEMJKFYFHBGJX-UHFFFAOYSA-N 330.793 3.090 30 50 EGEA N#CC1(C#N)[C@@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@@H](Cc1ccccc1)O3 217471553 MCBJDBNHNDAUID-LNKGRISISA-N 346.390 3.065 30 50 EGEA C#CCCC1(CCC(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)N=N1 952881275 LWMDNIPZUDIQCK-QGZVFWFLSA-N 329.444 3.150 30 50 EGEA N#Cc1ccc(C2CCN(C[C@H](O)c3ccccc3F)CC2)nc1 879026887 OCWJJPDLRFYQRZ-IBGZPJMESA-N 325.387 3.005 30 50 EGEA N#Cc1c(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)sc2c1CCCC2 101680885 ODVXWYOVAPRVBO-DPDCMNJDSA-N 338.432 3.200 30 50 EGEA O/C(=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C1=COCCC1 328617045 CIFTWUDEPJVLIT-JTQLQIEISA-N 329.322 3.115 30 50 EGEA COc1ccccc1[C@H](C)N(C)C(=O)CSc1ccc(C#N)cn1 339589782 WKXAAWKQGXAKMT-ZDUSSCGKSA-N 341.436 3.274 30 50 EGEA C/C(=N\NS(=O)(=O)c1ccc(C)cc1)[C@@H]1C[C@H]1c1ccccc1 256272097 CYTXZSSGRJWZNE-AAUFVAEBSA-N 328.437 3.453 30 50 EGEA C=CCn1c(=O)c(C(=O)N[C@H](C)c2ccccc2)c(O)c2ccccc21 100505265 VTMGRPSAIFIPRJ-CQSZACIVSA-N 348.402 3.384 30 50 EGEA C[C@H]1CN(C(O)=Nc2ccc(F)c(C3CC3)c2)C[C@@]2(CCOC2)O1 328588690 VKSCTGNERRZUSG-KPZWWZAWSA-N 334.391 3.128 30 50 EGEA N#C[C@H]1CC[C@@H](NC(=O)c2csc(=Nc3cc(F)cc(F)c3)[nH]2)C1 425321572 HPXADOJLHTXLKZ-JOYOIKCWSA-N 348.378 3.009 30 50 EGEA N/C(=N\OC(=O)c1cccs1)c1ccc(CN2CCCCC2)cc1 4784785 RTYZETGLNMGBNB-UHFFFAOYSA-N 343.452 3.211 30 50 EGEA N#Cc1cc(N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)ccn1 284945945 JNYZZTOMEJSJPK-CVEARBPZSA-N 333.313 3.284 30 50 EGEA COc1ccc(OC)c([C@H]2CCN(C(=O)c3ccccc3C#N)C2)c1 77321622 CDVPQOJNLXBCDU-HNNXBMFYSA-N 336.391 3.205 30 50 EGEA COc1ccc(/C=N/OCC(=O)O[C@@H]2c3ccccc3C[C@H]2F)cc1 1875266508 HUIIFMMNDHBJFH-VZNYNTKLSA-N 343.354 3.224 30 50 EGEA CCc1nc(C#N)cc(N[C@H](C)c2cccc(N3CCOC3=O)c2)n1 853232691 HQPXPBMXZWPBHH-GFCCVEGCSA-N 337.383 3.040 30 50 EGEA C[C@H](/N=C(/O)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2)c1nc[nH]n1 328603673 GVNQQBHCHVKMBV-ZSZQSSIHSA-N 339.443 3.125 30 50 EGEA N#Cc1c(N)nc2c(c1-c1ccco1)CN(c1ccccc1F)CC2 71762417 HUBPIOYBTFJFNY-UHFFFAOYSA-N 334.354 3.497 30 50 EGEA C#CCCC1(CCC(=O)N2CCC[C@H](CN3CCCCCC3)C2)N=N1 952880640 HGTJOMYBUKBYNV-GOSISDBHSA-N 344.503 3.457 30 50 EGEA C=CCNC(=O)N(C)C[C@H]1CCCN(CCc2ccccc2C)C1 12298434 SOVPDZPBBRWHIP-GOSISDBHSA-N 329.488 3.077 30 50 EGEA COc1ccc(/C(C)=N/N2CCN(c3ccccc3OC)CC2)cc1 5605553 NAHFLEZXDIVQIA-LTGZKZEYSA-N 339.439 3.250 30 50 EGEA C[C@@H]1CCCN(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 405130962 GAKUIGLMPHZWMG-CQSZACIVSA-N 344.264 3.250 30 50 EGEA CC1(C)CC(=O)C(=CNCc2cccc(Br)c2)C(=O)C1 100444971 JWCAGNYLEXPFQC-UHFFFAOYSA-N 336.229 3.381 30 50 EGEA Cn1nc(C(F)(F)F)cc1C(=O)Nc1sc2c(c1C#N)CCC2 2777663 FBWOMUUTZDLKBE-UHFFFAOYSA-N 340.330 3.113 30 50 EGEA Cc1ccc(-c2ncco2)cc1NC(=O)C(=O)Nc1ccc(C#N)cc1 129492877 RSLWXUGWOZETRV-UHFFFAOYSA-N 346.346 3.099 30 50 EGEA Cc1ccc(S(=O)(=O)N/N=C2\[C@H]3C=CC=C[C@@H](C=C3)[C@H]2C)cc1 1501065323 NJKAGWLHGKJNOV-MKZLZUNTSA-N 328.437 3.194 30 50 EGEA N/C(=N\OC(=O)CCc1ccccc1)c1cccc(Br)c1 4832130 BGAMIZAUMRPBLP-UHFFFAOYSA-N 347.212 3.245 30 50 EGEA COc1ccc(NC(=O)CSc2ncc3c(c2C#N)CCC3)cc1 6702122 VQUXLLUMWQAJKT-UHFFFAOYSA-N 339.420 3.181 30 50 EGEA C=CCc1c(C)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[nH]c1=O 9936629 HWOCUFUUELZULG-UHFFFAOYSA-N 335.411 3.419 30 50 EGEA CC[C@@H]1[C@@H](/C(O)=N/C2CCOCC2)CCN1C(=O)OC(C)(C)C 328593730 BQHPIOWXUXDYCU-UONOGXRCSA-N 326.437 3.158 30 50 EGEA CC(C)(C)OC(=O)n1c(B2OC(C)(C)C(C)(C)O2)cc2cccnc21 381913886 KXCVPYSZIWEBET-UHFFFAOYSA-N 344.220 3.119 30 50 EGEA CN(C(=O)CN1CCC(C#N)(c2ccccc2)CC1)C1CCCCC1 252479974 BQYYUTBKNWAVJU-UHFFFAOYSA-N 339.483 3.335 30 50 EGEA C#CCN1CCC(NC[C@@H](c2ccccc2)N2CCCCCC2)CC1 820365062 HMQMRQKXCCFBTD-QFIPXVFZSA-N 339.527 3.291 30 50 EGEA Cc1cc(C(=O)N(CC#N)Cc2ccccc2)nn1-c1ccccc1 170592254 DIENWJVBZOZZJT-UHFFFAOYSA-N 330.391 3.347 30 50 EGEA O=[N+]([O-])c1cccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c1 228737 GCDNRXNIYPHICA-CPNJWEJPSA-N 344.802 3.404 30 50 EGEA NS(=O)(=O)c1ccc(-c2ccc(/C=N/Nc3ccccc3)o2)cc1 5051163 XLVZDMMVWPKMFU-XDHOZWIPSA-N 341.392 3.040 30 50 EGEA OCC#Cc1csc(CN(Cc2ccsc2)C[C@@H]2CCCO2)c1 55074669 YKTVVEVZBWKZMU-KRWDZBQOSA-N 347.505 3.335 30 50 EGEA COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccsc2)cc1Cl 130317077 DJFCMZVPLWUWPH-NSHDSACASA-N 334.784 3.371 30 50 EGEA CC#CC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 253392272 KPEWYHDPBYGRER-RHSMWYFYSA-N 338.373 3.228 30 50 EGEA COc1ccc(CN[C@@H]2CCN(C(C)=O)c3ccccc32)cc1C#N 366831692 NJKBUCWPPUECEM-GOSISDBHSA-N 335.407 3.154 30 50 EGEA Cc1cc(NC(=O)c2cc(C#N)cn2C)ccc1NC(=O)C(C)(C)C 826798901 WDLKMJDLAOJFJH-UHFFFAOYSA-N 338.411 3.442 30 50 EGEA Cc1cc(C)c(C#N)c(NC[C@@H]2CCO[C@@H]2c2nc(C3CC3)no2)n1 888078258 DFXINJDONDYAEN-ZFWWWQNUSA-N 339.399 3.020 30 50 EGEA COCc1cc(C)nc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)c1C#N 13281409 NHUJFAZBBCPFKE-BLLLJJGKSA-N 347.484 3.195 30 50 EGEA C=CCN(C)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 119436542 RELFJAFEGQIYRU-UHFFFAOYSA-N 341.386 3.405 30 50 EGEA Cc1cc(NC(=O)[C@H]2CCOc3ccc(Cl)cc32)n(CCC#N)n1 241171091 KECCSLQSAHBPRL-ZDUSSCGKSA-N 344.802 3.263 30 50 EGEA CC(=O)c1ccc(OCC(=O)NC2(C#N)CCCCC2)c(Cl)c1 119552397 SEFGTHHATULJRO-UHFFFAOYSA-N 334.803 3.264 30 50 EGEA N#Cc1ccc(CC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 287785801 IQODJSYUNNSMQV-HKBOAZHASA-N 346.430 3.132 30 50 EGEA COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)C3=CC(=O)[C@@]12C 254819996 QOBSXMNUZVHPQI-NOOLTXJASA-N 344.451 3.487 30 50 EGEA C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nccc(Br)c1Cl 1857530607 MLNUISIAWWCVKC-LDYMZIIASA-N 345.624 3.417 30 50 EGEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(O)c1 19925100 INUIWVGZXKLKJO-KRWDZBQOSA-N 341.407 3.169 30 50 EGEA COC(=O)c1sc(NC(=O)c2c(F)cccc2F)c(C#N)c1C 1056212 OXZICVSVMBSUGV-UHFFFAOYSA-N 336.319 3.245 30 50 EGEA N#Cc1cc(N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)ccn1 284945951 JNYZZTOMEJSJPK-HOTGVXAUSA-N 333.313 3.284 30 50 EGEA C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2243708 DJGMNCKHNMRKFM-GOSISDBHSA-N 335.359 3.002 30 50 EGEA biogenic,in-vitro CCc1ccnc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 180173743 HATMHGZSZQVIBJ-UHFFFAOYSA-N 335.407 3.199 30 50 EGEA COc1ccc2c(c1)OCCC/C2=N/Nc1ccc(C(=O)O)cc1 1875259863 GQTYVVHEZFAPCN-SILNSSARSA-N 326.352 3.382 30 50 EGEA