smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1=NC(=O)NC(=O)/C1=C\NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 13119291 YYCGEOGFTCUTBO-KGTBHZDVSA-N 381.433 1.141 50 3 GDGF COc1ccc(/C=N/NC(=O)Cn2c(=O)c(C)nc3ccccc32)cc1OC 207939280 QGORKNBSJRYVKM-SRZZPIQSSA-N 380.404 1.872 50 1 GDGF O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5CC[C@@H]4C5)ncnc32)[C@@H]1O 100469049 PVJGDYDNVNCGBT-MEFMYIJPSA-N 379.848 1.285 50 3 GDGF in-vitro C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC)[C@H](OC(=O)C(C)=CC)[C@H]12 2356679536 XAOFUSOWRJMKQF-AKHDSKFASA-N 390.432 1.815 50 1 GDGF O=C(CBr)NCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 586971227 OWPJCSXNAGYPBF-UHFFFAOYSA-N 381.274 1.449 50 1 GDGF C[C@H](CBr)n1c(=O)c2ccccc2n1CC(=O)N1CCOCC1 299836198 MFQQRSMPOHNKEC-GFCCVEGCSA-N 382.258 1.618 50 1 GDGF CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 17119660 XRACENWIFUNKDF-YFRSTRBHSA-N 398.839 1.552 50 1 GDGF C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@](C)(OC(=O)/C(C)=C/C)[C@@]13C=C[C@](C)(OO1)[C@H]23 104378397 UMHHYRUGXILZJB-ISOXRTFSSA-N 376.405 1.762 50 1 GDGF in-man O=C(Cn1nnnc1-c1ccc2c(c1)OCO2)N/N=C/c1ccc([N+](=O)[O-])cc1 103225690 DECNTHKVUAWSJR-QGMBQPNBSA-N 395.335 1.127 50 1 GDGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccccn2)C1 618007690 FDRSIMOCYQIHRL-HNNXBMFYSA-N 396.582 1.993 50 1 GDGF CCOC(=O)[C@]1(CCBr)CCc2cc3c(O)nc(O)nc3nc21 587366652 OJGMOQMJQUBJSS-HNNXBMFYSA-N 382.214 1.968 50 1 GDGF O=C(O)C1=NN(c2cccc(Cl)c2)C(=O)[C@H](I)C1=O 957657236 BXOHOPHVBOIJLW-SSDOTTSWSA-N 392.536 1.500 50 1 GDGF CCS(=O)(=O)OCCN1[C@@H](OO)CCO[P@]1(=O)N(C)CCCl 299846941 MMKANHZFUUMBPU-CHNSCGDPSA-N 380.787 1.169 50 1 GDGF Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(CCCBr)c1=O 29393640 GVYNLPHKOWHHJO-AXFHLTTASA-N 388.222 1.062 50 1 GDGF O=C(Nc1ccc(F)cn1)c1cnc(SCc2ccccc2B(O)O)nc1 261089921 DJJIPPPGDXQSSN-UHFFFAOYSA-N 384.201 1.235 50 1 GDGF NC(=O)NC(=O)c1cc(NC(=O)CBr)ccc1Br 40956453 WFQBVZCAALHBIA-UHFFFAOYSA-N 379.008 1.591 50 1 GDGF CC(C)(C)O[C@H](CCNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O 29210071 AGYCGZRCTZYTEC-SNVBAGLBSA-N 393.803 1.311 50 1 GDGF C=C(C)C(=O)O[C@@H]1[C@@H](OCC)/C(C=O)=C\CC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12 238756494 JSCXGQXFCTYXGO-NZZWCAEFSA-N 390.432 1.815 50 1 GDGF COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCSSCCN(C)C 618008554 IBULHRFJHAMKJE-ZDUSSCGKSA-N 395.591 1.975 50 1 GDGF Cc1c(O)ccc2c1[C@@](C)(c1ccc(O[C@H](C)C(=O)NN)cc1)N[C@H](C(=O)O)C2 963492087 QDEJAIOUWDDTSH-PTPDTQQLSA-N 399.447 1.320 50 1 GDGF CC(=O)N1CCc2cc(S(=O)(=O)NC3CCN(C(=O)CCl)CC3)ccc21 203474439 RPIDPDLIQQUFMZ-UHFFFAOYSA-N 399.900 1.104 50 3 GDGF CC=C(C)C(=O)O[C@@H]1C(=O)[C@]2(C)O[C@@H]2C[C@H]1[C@]1(C(=O)C=CC(C)(C)OO)CO1 2356654628 FFSZFSPHSRVERO-DBSYTYAISA-N 394.420 1.773 50 1 GDGF O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 1955749 MXFMFGFVCPHCTC-LICLKQGHSA-N 383.393 1.813 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C=C(C)[C@@]1(OO)CC=C(C)[C@H]21 2356447422 RKTXNXWAPMYGJZ-JZBZHOAESA-N 392.404 1.062 50 1 GDGF CCN(CC)C(=O)/C(C#N)=C/c1cc(OP(=O)(O)O)c(O)c([N+](=O)[O-])c1 38908768 OQBFESYGTAZBCT-BJMVGYQFSA-N 385.269 1.547 50 1 GDGF COc1ccc(/C=N\NC(=O)CN2CCN(c3ccccc3OC)CC2)cc1O 96921492 UCALXPDVSZSWOK-HMAPJEAMSA-N 398.463 1.682 50 1 GDGF O=C(N/N=C1\CCc2cccc(O)c21)c1cccc(S(=O)(=O)NC2CC2)c1 1857620920 CEFMOSUNZIKQFM-CAPFRKAQSA-N 385.445 1.913 50 1 GDGF C[C@@]1(c2ccccc2B(O)O)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962669737 QHAXLPDFYNRALR-FCHUYYIVSA-N 390.248 1.277 50 1 GDGF C=C(C)C(=O)O[C@H]1CC(=C)[C@H]2C[C@H](O)[C@@](O)(CCl)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 238780694 ONMAQPPVCANFPB-VZDDTXQJSA-N 382.840 1.499 50 1 GDGF O=C(Cn1nnnc1-c1ccc2c(c1)OCO2)N/N=C/c1ccc(Cl)cc1 103224713 BLCXJVUZFVXQEY-UFWORHAWSA-N 384.783 1.873 50 1 GDGF C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)[C@@](C)(OC(=O)/C(C)=C/C)[C@]13C=C[C@](C)(OO1)[C@@H]23 100783183 UMHHYRUGXILZJB-UHVDDTLJSA-N 376.405 1.762 50 1 GDGF endogenous,in-man COC1=C[C@@H]2C=C(C[C@]3(C(Cl)Cl)C[C@H](O)C(=O)O3)OC(=O)[C@H]2C(O)=C1 2356747754 VGDCFUPJKMVWMA-NNNSJNRFSA-N 391.203 1.886 50 1 GDGF O=C(NNS(=O)(=O)c1cc(O)ccc1F)c1cc(F)cc(-n2cccn2)c1 1857546853 YWHWWSGHIUDZPG-UHFFFAOYSA-N 394.359 1.479 50 1 GDGF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(C(=O)NN)cc4[nH]3)cc12 587037479 JKGXESIJDXUUQV-SECBINFHSA-N 397.464 1.914 50 1 GDGF CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)B(O)O 170183643 VYJGIZAZFZWYOU-OALUTQOASA-N 382.269 1.571 50 1 GDGF CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)B(O)O 170183641 VYJGIZAZFZWYOU-RBUKOAKNSA-N 382.269 1.571 50 1 GDGF Cc1cc2c(cc1O)[C@H](c1ccc(B(O)O)c(Cl)c1Cl)N[C@H](C(=O)O)C2 963523425 HSSAMUVOQIARLK-LRDDRELGSA-N 396.035 1.376 50 1 GDGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cnc[nH]2)CC1 618008206 UTVLGFIHVWHMCD-UHFFFAOYSA-N 385.559 1.321 50 1 GDGF Cc1cc(B(O)O)c(OC(C)C)c([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962891776 COMRPBUABVRUPW-ZWKOTPCHSA-N 387.216 1.289 50 1 GDGF NNC(=O)CCSSCCC(=O)n1ncc2ccc(Cl)cc2c1=O 587653565 BQLFJJITYFPOOJ-UHFFFAOYSA-N 386.886 1.842 50 1 GDGF O=C(CCl)N1CCN(CCN2C(=O)[C@@H](Cl)[C@@H]2c2cccc(O)c2)CC1 103196968 ALSHXQAKSRCBLE-HOTGVXAUSA-N 386.279 1.266 50 1 GDGF O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)ncnc32)[C@@H]1O 40845240 PVJGDYDNVNCGBT-XSMNFLGNSA-N 379.848 1.285 50 3 GDGF in-vitro C=C1C(=O)O[C@H]2C=C(C=O)CCC=C(C)C[C@@H](OC(=O)C(=C)[C@@H](O)CO)[C@H]12 2356503371 GCPJCNXGKVLIOY-MHORFTMASA-N 376.405 1.161 50 1 GDGF COc1cc2c3c(c1)O[C@]1(COC(COC(=O)CCl)=CC1=O)[C@@H](C2)C3=O 587423099 SANBPXSYOVFWEX-KPZWWZAWSA-N 378.764 1.447 50 1 GDGF Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccccn2)c1-c1ccccc1 15989877 DEMDNOKALGRGRS-JMIUGGIZSA-N 375.352 1.058 50 1 GDGF Cc1cccnc1[C@@]1(CCl)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963221095 WDJRNTGVFLPYTD-NJSLBKSFSA-N 385.855 1.353 50 1 GDGF CCc1ccc(/C=N/NC(=O)Cn2nnnc2-c2ccc3c(c2)OCO3)cc1 103225683 YOBFKYWLIMQVLA-KEBDBYFISA-N 378.392 1.782 50 1 GDGF CCOC(=O)[C@@H](C(=O)O)N1C=CC(C(=O)N/N=C/c2ccccc2Cl)C=C1 100086971 FYPLAXJGHLVDBJ-PZUDMAOCSA-N 391.811 1.766 50 1 GDGF C=C1[C@@H](C[C@H](O)[C@H]2CC(=O)NC2=O)[C@@]2(C)C[C@@H](Cl)[C@@H](O)C(C)(C)[C@H]2C[C@H]1O 2356594414 UACZEBODXTXUMI-VTPCMAFGSA-N 399.915 1.358 50 1 GDGF CC(C)C[C@H](NC(=O)Cn1ccc2ccc(Br)cc2c1=O)B(O)O 169971097 NMDMIYLRVMRXMM-AWEZNQCLSA-N 395.062 1.307 50 1 GDGF CC1=C(C=O)C[C@H](C)[C@]12CC[C@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O)C2 2356415270 GAPHEKNEWIGEDS-VUHHJGAQSA-N 382.497 1.951 50 1 GDGF CCCCC[C@@H]1[C@H]2C(=O)OC(=O)[C@@]23CC[C@@]12C(=O)OC(=O)[C@@H]2C[C@H](C)[C@H]3O 198567833 GHDBWAUSVJFFHH-KDTHUIHHSA-N 378.421 1.749 50 1 GDGF NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl 15435532 VDESYSBEVLTBGO-UHFFFAOYSA-N 388.232 1.716 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H](OO)C(=C)C[C@H](OC(=O)C(=CCO)CO)[C@H]12 2356427370 XKKROPUZCIUQMV-ZJPYXAASSA-N 394.420 1.452 50 1 GDGF C/C(=N\NC(N)=O)c1cnc2nnn([C@H](C)c3cc4cccnc4cc3F)c2n1 96169178 YIVKNZDBQVCYPW-CTWDJJQWSA-N 393.386 1.910 50 1 GDGF CC(=O)OC/C=C/C[C@]1(C(=O)OCc2ccccc2)/C(=C/C=O)O[C@@H]2CC(=O)N21 1772657620 BGQRDDSRQMAZIR-QTAHKLBGSA-N 399.399 1.649 50 1 GDGF CO[C@@H]1CCCN(Cc2ccc(CNCCN3CCNC3=C(C#N)C#N)o2)C1 3924986 KNECVBKLZJDAMM-GOSISDBHSA-N 384.484 1.144 50 1 GDGF CC(C)(CCl)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)ncnc21 40410676 LYFAZDBUGXHGQV-UHFFFAOYSA-N 385.748 1.737 50 1 GDGF CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)c1cccc(C(=O)NO)c1 95809716 LTDJKAIIQQBXAA-YRIIZNAFSA-N 376.413 1.921 50 1 GDGF C[C@]1(c2ccccc2B(O)O)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962669757 QHAXLPDFYNRALR-YADHBBJMSA-N 390.248 1.277 50 1 GDGF C/C(CC(=O)c1ccccc1)=N\[C@@H]1C(C#N)=C2CCCN2[C@@]1(O)N1CCOCC1 169302221 MOJUUSOKNFOBBM-YVVCTBMISA-N 394.475 1.954 50 1 GDGF CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@@H]2OC(=O)[C@@H](C)[C@@H]12 2356688548 DMCKVYCFRJNFGZ-ZMPSUWLDSA-N 380.437 1.922 50 1 GDGF C=C1C(=O)O[C@@H]2[C@H]1[C@@H](OC(=O)[C@@]1(C)O[C@H]1C)[C@]1(O)OO[C@@]3(C)CC=C[C@@]1(C)[C@H]23 238743782 LPXOBZWDHHUJHC-ZLZYUGBGSA-N 392.404 1.179 50 1 GDGF CCc1c(CC(N)=O)c2c(OCC(=O)NN)cccc2n1Cc1ccccc1 13446079 QVNQJCWDDMPBDG-UHFFFAOYSA-N 380.448 1.649 50 1 GDGF CN(NC(=NCC(=O)O)NN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 28246052 GHGGTSCDMSOCOF-UHFFFAOYSA-N 375.426 1.170 50 1 GDGF C=C1C[C@H](OC(=O)[C@](C)(O)CCl)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 13326252 MDFBCTWQQQIZSM-RVTSROKXSA-N 382.840 1.499 50 1 GDGF biogenic C[C@@H]1CC(=O)C2=C(C1)[C@@H](Cl)[C@@H](O)[C@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O 31158888 LYWPTXLFCTXKBJ-YYKIAPKJSA-N 378.808 1.247 50 1 GDGF CC(C)[C@@]1(CBr)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963222664 ZTACINFEIGCEQI-MKBNYLNASA-N 381.274 1.414 50 1 GDGF CCCC=COC(=O)[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@]13C[C@]21C(=O)O[C@H]3O 2356696560 FVKCVIGTXMCNPU-TWNIZFMMSA-N 390.432 1.627 50 1 GDGF Cn1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C(=O)NN 587881472 MQTIGNVAOLTSIM-UHFFFAOYSA-N 380.235 1.041 50 1 GDGF C[C@@H](Oc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1)C(=O)NN 962904970 WGAZOTLSHJGCRQ-MGZSFGTLSA-N 387.411 1.445 50 1 GDGF COC1=C/C(=C/NNC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)C=CC1=O 15973834 XCRIWWYUMRHCFA-PKNBQFBNSA-N 380.360 1.593 50 3 GDGF COc1cc(/C=N/NC(=O)CN2CCN(c3ccc(F)cc3)CC2)ccc1O 53276059 LWKFROGLOGOBFK-LPYMAVHISA-N 386.427 1.812 50 1 GDGF N#CC1=C2CCCN2[C@@](O)(N2CCOCC2)[C@H]1/N=C/c1ccc([N+](=O)[O-])cc1 299846113 JRJGIIAILWFKNF-GCOJUMRASA-N 383.408 1.248 50 1 GDGF Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)NN/C=C2\C=CC(=O)C=C2O)cc1 13125655 RCPWDWJIYFNDHO-XNTDXEJSSA-N 395.375 1.847 50 3 GDGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 618008365 ZBTZEYLFALKLGS-INIZCTEOSA-N 396.582 1.993 50 1 GDGF CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)c1cccnc1)c1ccccc1)B(O)O 195292532 HLZTYGFKTWTUGN-MSOLQXFVSA-N 383.257 1.486 50 1 GDGF N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@H]1/N=C/c1ccc([N+](=O)[O-])cc1 103210957 JRJGIIAILWFKNF-RTNGMJPVSA-N 383.408 1.248 50 1 GDGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccc(F)c(B(O)O)c3)N12 962667449 MZZONFGIJSILRW-NQIIRXRSSA-N 394.211 1.242 50 1 GDGF COC1=CN(CC(=O)O)C(CCl)=C[C@]12NCCc1c2c(C(C)C)nn1C 962920386 MRJMGEGUUSOAPI-SFHVURJKSA-N 380.876 1.895 50 1 GDGF O=C1C=CC(=CNNC(=O)CNC(=O)c2ccccc2Br)C=C1 13122338 LPKNHKJZIWYTFC-UHFFFAOYSA-N 376.210 1.379 50 3 GDGF COc1ccc(O)c(C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)B(O)O)c1 1857559475 RWIGGKZXOHMKKL-NVXWUHKLSA-N 394.277 1.088 50 1 GDGF CN(C)c1ccc(/C=N/[C@@H]2C(C#N)=C3CCCN3[C@]2(O)N2CCOCC2)cc1 103210967 YCOTUOBHDZUKJJ-ASIXBHFTSA-N 381.480 1.405 50 1 GDGF Cc1ccc([C@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2cccnc2)cc1 195288953 MLOQLTQHVGQBKI-OALUTQOASA-N 397.284 1.794 50 1 GDGF C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/CO)CO)CC(=C)[C@]1(OO)CC=C(C)[C@H]21 85582756 ZFVASFTUEVIQJA-OIECKMMNSA-N 392.404 1.062 50 1 GDGF biogenic,in-vitro C=C1C[C@H](OC(=O)[C@@](C)(O)CCl)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 13326254 MDFBCTWQQQIZSM-UJAQHVGQSA-N 382.840 1.499 50 1 GDGF biogenic O=C(CCl)N1CCN(CCN2C(=O)[C@@H](Cl)[C@H]2c2ccc(O)cc2)CC1 103195417 LIMCBKDIRYSUBP-JKSUJKDBSA-N 386.279 1.266 50 1 GDGF CCN1C(=O)/C(=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c2ccccc21 103762114 MMHOZUSRRXKPKV-XJJRAYASSA-N 376.416 1.403 50 3 GDGF C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@](C)(O)[C@]13C=C[C@](C)(OO1)[C@H]23 238776416 RETIODDHEFBATD-MFTVPULDSA-N 376.405 1.762 50 1 GDGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCl)c1c(O)nc(=O)n(C)c1N 963630089 BKWGFWLSRSQKTJ-NIVTXAMTSA-N 394.859 1.102 50 1 GDGF COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2ccnc(CCl)n2)c1OC 587939066 BGDZPCRJDCUWOP-UHFFFAOYSA-N 383.788 1.525 50 1 GDGF Cc1cc(C(=O)NNS(=O)(=O)c2cc(O)ccc2F)cc(-n2cccn2)c1 1857546319 TTWDEXORYADWOL-UHFFFAOYSA-N 390.396 1.649 50 1 GDGF O=C(O)c1cc([C@]2(CCl)N[C@H](C(=O)O)Cc3cccc(F)c32)c([N+](=O)[O-])[nH]1 962905039 OKIDDDTUXMGIGE-ZBEGNZNMSA-N 397.746 1.842 50 1 GDGF CN(C)CCSSCCNC(=O)Cc1ccc(S(C)(=O)=O)cc1 618008118 RUEIJZMKYWWBEE-UHFFFAOYSA-N 376.569 1.692 50 1 GDGF COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963015992 BHHLTRIJPNGDBJ-FJVYXFCJSA-N 376.840 1.695 50 1 GDGF Nc1nc2ncn(Cc3ccc(NC(=O)CBr)cc3)c2c(=O)[nH]1 27196229 UQZGNDAEAUJFBV-UHFFFAOYSA-N 377.202 1.084 50 1 GDGF CCN1C(=O)/C(=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c2ccccc21 102033429 MMHOZUSRRXKPKV-GHPRFPTBSA-N 376.416 1.403 50 3 GDGF O=C(OC1C[C@H]2[C@@H]3O[C@H]3[C@@H](C1)N2CBr)[C@H](CO)c1ccccc1 2356576337 WRLNTYOXEQJCFT-SFSMXDMGSA-N 382.254 1.641 50 1 GDGF COC1=CC(=O)[C@]2(C1)[C@H](Cl)C[C@]13C(OC)=C(OC)C(=O)C(=O)[C@]21CCN3C 2356642725 SAJAPJKVDJRETQ-SCDPYTBJSA-N 395.839 1.204 50 1 GDGF CCCCC[C@@H]1[C@@H]2C(=O)OC(=O)[C@@]23CC[C@@]12C(=O)OC(=O)[C@@H]2C[C@H](C)[C@@H]3O 2356755374 GHDBWAUSVJFFHH-AVJYUMAGSA-N 378.421 1.749 50 1 GDGF C=C1C(=O)O[C@@H]2[C@H]1[C@@H](OC(=O)[C@]1(C)O[C@@H]1C)[C@]1(O)OO[C@@]3(C)CC=C[C@@]1(C)[C@H]23 238733082 LPXOBZWDHHUJHC-FVDCMVLJSA-N 392.404 1.179 50 1 GDGF C=C1C[C@H](OC(=O)C=CC)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](O)[C@@]2(O)CCl 2356646462 DEOAEBOOLNZVLW-LQMJOAPMSA-N 382.840 1.499 50 1 GDGF C[C@@H](C(=O)NCCSSCCN(C)C)N1C(=O)c2ccccc2C1=O 618009208 SWBIHFQTKGMEEN-LBPRGKRZSA-N 381.523 1.730 50 1 GDGF COc1ccccc1N1CCN(CC(=O)NNc2nncc3ccccc23)CC1 84618857 JCURHFGILJFLDA-UHFFFAOYSA-N 392.463 1.904 50 1 GDGF O=C(CCl)N1CCN(CCN2C(=O)[C@H](Cl)[C@@H]2c2ccc(O)cc2)CC1 103195423 LIMCBKDIRYSUBP-CVEARBPZSA-N 386.279 1.266 50 1 GDGF CC(C)N1C(=O)C(=NNC(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc21 1857650178 BHDRTAOVGWJRAK-UHFFFAOYSA-N 386.433 1.223 50 1 GDGF CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)B(O)O 170183638 VYJGIZAZFZWYOU-MOPGFXCFSA-N 382.269 1.571 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](C)(O)[C@@]13CC[C@@](C)(OO1)[C@H]23 2356507863 IYQFKOAKCYJYHY-YOSIWLQUSA-N 378.421 1.986 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)[C@H](C)CC)[C@@H](O)[C@@H]12 2356671159 PIWVBLJALGNALB-NFTFIMACSA-N 378.421 1.241 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC)[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356679537 XAOFUSOWRJMKQF-XWSJACJDSA-N 390.432 1.815 50 1 GDGF COc1cc(NC(=S)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc(OC)c1OC 299837139 JFOYRBWXVLMLCJ-UHFFFAOYSA-N 395.397 1.580 50 1 GDGF CC1(C)C[N@@]1P(=O)(NC(=O)OCCn1ccnc1[N+](=O)[O-])[N@]1CC1(C)C 1857562440 OJQPSXZXCFLKKZ-RTBURBONSA-N 386.349 1.814 50 1 GDGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)OCC(Cl)(Cl)Cl 28765104 UVZXXVCMSNPLMB-NSHDSACASA-N 396.658 1.861 50 1 GDGF CN(Cc1ccc(B(O)O)cc1)c1ncc(C(=O)Nc2ccc(F)cc2)cn1 200193446 ASWBTVXNCFSFOM-UHFFFAOYSA-N 380.188 1.184 50 1 GDGF COc1cccc(C(=O)NNC(=O)c2cc3cccc(OC)c3oc2=O)c1O 1857588651 JVHWWVLJUZGYJN-UHFFFAOYSA-N 384.344 1.591 50 1 GDGF CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@]12C(=O)N1[C@@H](C(=O)O)C(C)(C)S(=O)(=O)[C@@H]12 170047072 DLHDQLOBEVYACK-QDRWXPAPSA-N 389.546 1.595 50 1 GDGF C=C1C(=O)O[C@H]2[C@@H]3[C@@]4(C=C[C@@]3(C)OO4)[C@](C)(OC(=O)C(C)=CC)[C@@H](O)C[C@H]12 2356508317 UMHHYRUGXILZJB-JVAXSNDZSA-N 376.405 1.762 50 1 GDGF COc1ccc(O)c(C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)B(O)O)c1 1857559477 RWIGGKZXOHMKKL-WBVHZDCISA-N 394.277 1.088 50 1 GDGF Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C\NCC[C@H]1CNCCO1)C=C3C=O 102163246 JFEHTKGEYNTRNG-DNXIFWLFSA-N 394.427 1.732 50 1 GDGF CCCc1c(C(=O)NN/C=C2\C=Nc3ccccc32)nnn1-c1nonc1N 34105603 SYINVEPSDZHSQL-MDZDMXLPSA-N 379.384 1.176 50 3 GDGF C#CCN(N=O)C(=O)NCCCC[C@H](NC(C)=O)C(=O)NCc1ccccc1 5663000 WKIQCAOTGDUJJJ-KRWDZBQOSA-N 387.440 1.304 50 1 GDGF O=C(O)C(=O)N[C@@H](CSSc1ccc(Br)cc1)C(=O)O 84670273 FXYPCWJSSICCIQ-QMMMGPOBSA-N 380.241 1.843 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)/C(C)=C\C)[C@@H](C(=C)C=O)[C@](C)([C@@H]1CO1)[C@@H]2O 15108276 KHETWGVZAJUMQY-BDJNDPSCSA-N 376.405 1.113 50 1 GDGF biogenic CC(C)(C)[Si](C)(C)O[C@@H]1/C(=C/C#N)[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO 195802274 SVYVVRNFTSBWJQ-TVOFIRLKSA-N 379.489 1.267 50 1 GDGF CC(C)SCC[C@@H](N)[C@H](O)C(=O)NNC(=O)c1ccc2ccccc2c1 27995506 OHCJXKBVOYQMND-SJORKVTESA-N 375.494 1.821 50 1 GDGF CC1=C(c2ccc3nc(CCNC(=O)CBr)[nH]c3c2)NNC(=O)C1 586971684 WKWZAAQBSZUOFR-UHFFFAOYSA-N 392.257 1.372 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC)[C@@H](OC(=O)C(C)C)[C@@H]12 2356623716 KOSNOBOYWSVACZ-OWSLCNJRSA-N 378.421 1.505 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@@H]23 2356763626 OPFLLZPIXLWOST-WLKSBDNNSA-N 376.405 1.762 50 1 GDGF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)B(O)O 195100344 XZHUWRMFSYDPDQ-IRXDYDNUSA-N 378.278 1.870 50 1 GDGF CCNC(=O)N/N=C(\c1ccc(N)cc1)c1cc2c(cc1CC(=O)OC)OCO2 27517720 OMQQMHWHZAABQG-FCDQGJHFSA-N 398.419 1.785 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](C(=C)C=O)[C@](C)([C@H]1CO1)[C@@H]2OC(=O)C(C)=CC 2356413123 NXPOIAZRKHEBBW-TWGIYTNFSA-N 376.405 1.113 50 1 GDGF CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@]12CO2 101340125 XRACENWIFUNKDF-BILXYDKESA-N 398.839 1.552 50 1 GDGF COc1ccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1NC(C)=O 169336523 PMRNVTIQYLBEJE-FYWRMAATSA-N 376.321 1.320 50 1 GDGF Cc1cc(C(=O)NNS(=O)(=O)c2cccc(O)c2F)cc(-n2cccn2)c1 1857619415 CZCYHWRIOVFXFU-UHFFFAOYSA-N 390.396 1.649 50 1 GDGF CC(=N)/C(C#N)=C(\O)COC(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O 103108250 JQHOTAKJQTZBSO-ISJFIBQHSA-N 377.422 1.291 50 1 GDGF C=C1C(=O)O[C@@H]2/C=C(/C=O)CC[C@H]3O[C@@]3(COC(C)=O)C[C@H](OC(C)=O)[C@@H]12 238756794 FIUKBHLOUGCTHU-PAZPRULQSA-N 378.377 1.026 50 1 GDGF O=C(Cn1nnnc1-c1ccccc1)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 1857544861 NHJQHLFTPGECOF-HOTGVXAUSA-N 382.811 1.562 50 1 GDGF COc1ccc2c(c1)[C@]1(NC[C@@H]3CC(=O)N(C)c4cccc1c43)C(C=O)=C(N)O2 963024350 MTLXFFBTTHDPHO-YTEVENLXSA-N 391.427 1.754 50 1 GDGF COc1cc(O)c2c(=O)oc(C[C@@]3(C(Cl)Cl)C[C@H](O)C(=O)O3)cc2c1 2356325267 WVPCKHBOHMSILA-ZBEGNZNMSA-N 389.187 1.900 50 1 GDGF CCS(=O)(=O)OCCN(C)[P@]1(=O)OCC[C@H](OO)N1CCCl 299847077 UBYPXTQKOXHFRP-CWKPULSASA-N 380.787 1.169 50 1 GDGF O=C(CN1CCN(Cc2ccc(F)cc2)CC1)N/N=C/c1cc(F)ccc1O 149794323 SMXOGIISYWHAIG-FSJBWODESA-N 388.418 1.938 50 1 GDGF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(C(=O)NN)cc2[nH]1 587119085 XDURTXBVSGKKFX-UHFFFAOYSA-N 383.290 1.647 50 1 GDGF C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)[C@H](C)CC)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@@H]23 238763115 CUOLHDCSNYOKFZ-RECCWCMFSA-N 378.421 1.842 50 1 GDGF CN(C)CCSSCCNC(=O)CCNC(=O)c1ccc2nn[nH]c2c1 618009172 GDYJHYBOMGWGSR-UHFFFAOYSA-N 396.542 1.137 50 1 GDGF CCOc1ccc(/C=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 1857629198 RPWWYXZNUJAIKJ-YBFXNURJSA-N 387.417 1.754 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)CC(=C)[C@@]1(OO)CC=C(C)[C@@H]21 2356664547 ZFVASFTUEVIQJA-DYWWHBPLSA-N 392.404 1.062 50 1 GDGF CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)C1(c2ccccc2)CC1)B(O)O 1857619682 UDDHMVDDHBIQFF-ZWKOTPCHSA-N 388.317 1.792 50 1 GDGF NNC(=O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 586920042 DVVISSQXEHNFOY-UHFFFAOYSA-N 384.461 1.672 50 1 GDGF O=C([C@H]1Cc2ccccc2[C@@]2(CCCc3ccc(B(O)O)cc32)N1)C(F)(F)F 962761912 ICIACTLXQLRNBT-IEBWSBKVSA-N 389.182 1.592 50 1 GDGF Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)NN 587885296 DWGLDYCBZBFMTB-UHFFFAOYSA-N 379.247 1.646 50 1 GDGF O=C1C=C/C(=C/NNC(=O)C(O)(c2ccccc2)c2ccccc2)C=C1[N+](=O)[O-] 13125725 WRXBKHGOZOIJRM-PFONDFGASA-N 391.383 1.727 50 3 GDGF C/C(=N\NC(N)=O)c1ccc2ncc(Cc3cc4cnn(C)c4cc3F)n2n1 96169181 SVERZSFTVLBCKI-AUEPDCJTSA-N 380.387 1.738 50 1 GDGF CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2cnc[nH]2)C1 618008263 WKLJFMQNKHUUPZ-CYBMUJFWSA-N 385.559 1.321 50 1 GDGF Cc1cc(O)cc(O)c1C(=O)O[C@]1(C)C(=O)C=C2C=C(C=CC=O)OC=C2C1=O 2356509525 SAZKXUITORBGED-OAQYLSRUSA-N 396.351 1.953 50 1 GDGF Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(O)CCl)O2)c(=O)[nH]c1=O 73169813 PDCTYXOYZKEJGU-DJLDLDEBSA-N 379.697 1.210 50 1 GDGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](Cl)C(=O)C(=O)[C@H]1Cl 587462705 RIDXPGSLRYCZQN-CXMBCZLWSA-N 385.199 1.984 50 1 GDGF O=C(NNS(=O)(=O)c1ccccc1F)c1cc(F)cc(-n2cccn2)c1 1857564519 QWXYCBJVEKGULU-UHFFFAOYSA-N 378.360 1.774 50 1 GDGF CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCCC1)B(O)O 1857768287 PLJIGMVETKDHOI-OALUTQOASA-N 388.317 1.837 50 1 GDGF O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1ccccc1C(=O)O 5875111 CUWFNWLDWSZSLB-VCHYOVAHSA-N 382.405 1.603 50 1 GDGF CN(C)CCCOc1ccc(/C=N/NC(=O)c2cccc(C(=O)NO)c2)cc1 95808769 XCKJORVSQLXIES-KGENOOAVSA-N 384.436 1.900 50 1 GDGF COc1ccc2c(c1)[C@@]1(NC[C@@H]3CC(=O)N(C)c4cccc1c43)C(C=O)=C(N)O2 963024340 MTLXFFBTTHDPHO-AMXDTQDGSA-N 391.427 1.754 50 1 GDGF O=C(N[C@@H](Cc1ccc(Cl)cc1)B(O)O)c1cnn(Cc2ccccc2)c1 1857606625 BNPKIVVDNOWWIS-SFHVURJKSA-N 383.644 1.938 50 1 GDGF CC(=O)O[C@@H]1C=C(C=O)[C@](O)(C(=O)O)[C@]2(C)[C@@H](OC(C)=O)CCC(C)(C)[C@H]12 2356781613 BMWBMNGRDVKNHG-LKKZHYCFSA-N 382.409 1.247 50 1 GDGF CCOC(=O)Nc1cccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 169336551 RQNBXNHPINONPV-WYMLVPIESA-N 376.321 1.921 50 1 GDGF CC1=CC(=O)O[C@@H]2CC[N@+]3(CCl)CC[C@H](COC(=O)[C@](C)(O)[C@H](C)C1)[C@H]23 2356320181 LGHRCDVEZVROEB-OLLMDYASSA-N 386.896 1.984 50 1 GDGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 106611830 KZJNKSIORXDWKH-RGCRRLNCSA-N 378.421 1.241 50 1 GDGF biogenic COc1cc(O)c2c(=O)oc(C[C@@]3(C(Cl)Cl)C[C@@H](O)C(=O)O3)cc2c1 2356325260 WVPCKHBOHMSILA-BZNIZROVSA-N 389.187 1.900 50 1 GDGF O[C@H]1[C@H](O)[C@H](n2cnc3c(N[C@H]4C[C@@H]5CC[C@@H]4C5)ncnc32)O[C@H]1CCl 100681042 PVJGDYDNVNCGBT-WVOGVIQASA-N 379.848 1.285 50 1 GDGF C=C1C(=O)O[C@H]2[C@H]1C[C@H](O)[C@@](C)(OC(=O)/C(C)=C/C)[C@@]13C=C[C@](C)(OO1)[C@H]23 104378399 UMHHYRUGXILZJB-OLIWNLKHSA-N 376.405 1.762 50 1 GDGF in-man CCCCC[C@@H]1[C@@H]2C(=O)OC(=O)[C@@]23CC[C@@]12C(=O)OC(=O)[C@@H]2C[C@H](C)[C@H]3O 2356755375 GHDBWAUSVJFFHH-ICTCUNTISA-N 378.421 1.749 50 1 GDGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3c(F)cccc3B(O)O)N12 962657331 BOFBJOCTYCWEQS-GHTZIAJQSA-N 394.211 1.242 50 1 GDGF CCCC=CC(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@]13C[C@@]21C(=O)O[C@H]3O 2356517303 FGNPPWFDUWSHQL-VZWRSXOKSA-N 390.432 1.422 50 1 GDGF CN1CCN(S(=O)(=O)C[C@@]2(C)[C@@H]3CC[C@@]2(C)C(=O)[C@@H]3Br)CC1 23211767 IPLUOSAUUKDXNT-UXOAXIEHSA-N 393.347 1.332 50 1 GDGF C[N+](C)(C)C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CBr)cc1 27872291 LWRRWOMYUZEBHB-UHFFFAOYSA-O 393.283 1.371 50 1 GDGF O=C(Cn1nnnc1-c1ccc2c(c1)OCO2)N/N=C/c1ccccc1[N+](=O)[O-] 103225680 RMYYDMDLLVNXQP-QGMBQPNBSA-N 395.335 1.127 50 1 GDGF CC(C)(C)[Si](C)(C)O[C@H]1/C(=C/C#N)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO 195502349 SVYVVRNFTSBWJQ-QCCRBUNLSA-N 379.489 1.267 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](O)[C@H](OC(=O)C(C)=CC)[C@@H]12 2356511951 RGDZQGAEJIRTEC-VSZNYVQBSA-N 376.405 1.161 50 1 GDGF C[C@@H]1CC[C@H]2[C@]3(C[C@@H]4COCCN4O3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 473150934 NPJFFPXKEOULSM-VXKCIIDGSA-N 381.425 1.534 50 1 GDGF COC1=C/C(=C/NNC(=O)c2cncc(Br)c2)C=C([N+](=O)[O-])C1=O 15952517 CVSCOCRYSUYRAL-VMPITWQZSA-N 395.169 1.236 50 3 GDGF C/C=C(/C=O)[C@@H](CC(=O)OCCc1ccc(O)c(O)c1)[C@H](C=O)C(=O)OC 34471704 LTKAHEKEHUYXLZ-BCNRKGMWSA-N 378.377 1.323 50 1 GDGF O=C(Cn1nnc(/C=C/c2ccccc2)n1)N/N=C/c1cccc([N+](=O)[O-])c1 1857545586 GBCQVWGUSHSOSA-PAADAATBSA-N 377.364 1.902 50 1 GDGF COc1ccc(Cn2cc(C(=O)NN=C3C(=O)Nc4ccc(C)cc43)nn2)cc1 1857606095 ZDSODPDZKUQTAT-UHFFFAOYSA-N 390.403 1.730 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(O)=CCO)C=C(C)[C@@]1(OO)CC=C(C)[C@H]21 2356667551 WSRFTQCEQNYNFO-INJPQVFBSA-N 378.377 1.585 50 1 GDGF COc1cc(/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc(OC)c1OC 96929437 XIHIJVLWPDGNDT-CNHKJKLMSA-N 377.357 1.276 50 1 GDGF Cc1cc(=O)oc2cc(OCC(=O)NN/C=C3\C=C([N+](=O)[O-])C=CC3=O)ccc12 13125664 XKJRLDQXHWGMBJ-FMIVXFBMSA-N 397.343 1.284 50 3 GDGF C/C(=N\NC(N)=O)c1ccc2ncc([C@H](O)c3cc4cccnc4cc3F)n2n1 96169127 PDJSGQQCEMPUAQ-ATXJHCGVSA-N 393.382 1.891 50 1 GDGF Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(CCCBr)c1=O 29393636 GVYNLPHKOWHHJO-MXWKQRLJSA-N 388.222 1.062 50 1 GDGF CCS(=O)(=O)OCCN1[C@H](OO)CCO[P@@]1(=O)N(C)CCCl 169318981 MMKANHZFUUMBPU-UZJPJQLHSA-N 380.787 1.169 50 1 GDGF O=C(CBr)NCCc1nc2c(F)cnc(Br)c2[nH]1 586970622 CXWGFYXVRKUIPA-UHFFFAOYSA-N 380.015 1.913 50 1 GDGF C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H]1OCC 1857536548 JSCXGQXFCTYXGO-HCXYKTFWSA-N 390.432 1.815 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(O)=CCO)CC(=C)[C@@]1(OO)CC=C(C)[C@H]21 2356598354 NNGGBEYEJBWSSK-INJPQVFBSA-N 378.377 1.585 50 1 GDGF C/C(=N\NC(N)=O)c1ccc2ncc([C@@H](O)c3cc4cccnc4cc3F)n2n1 96169128 PDJSGQQCEMPUAQ-KNQBZKNYSA-N 393.382 1.891 50 1 GDGF O[C@@H]1[C@@H](CCl)O[C@H](n2cnc3c(N[C@H]4C[C@@H]5CC[C@@H]4C5)ncnc32)[C@@H]1O 101478210 PVJGDYDNVNCGBT-GUTGALQSSA-N 379.848 1.285 50 1 GDGF C[C@@H](O)[C@H](N)C(=O)NNc1cccc(-c2ccc3c(N)nc(Cl)nc3c2)c1 95597489 PZOVNOFAIPCMJX-PSLIRLAXSA-N 386.843 1.684 50 1 GDGF COC1=CC(=O)[C@]2(C1)[C@H](Cl)C[C@@]13C(OC)=C(OC)C(=O)C(=O)[C@]12CCN3C 2356642723 SAJAPJKVDJRETQ-ISOTWLOGSA-N 395.839 1.204 50 1 GDGF Cc1cc2c(cc1O)[C@@H](c1ccc(B(O)O)c(Cl)c1Cl)N[C@H](C(=O)O)C2 963523421 HSSAMUVOQIARLK-BLLLJJGKSA-N 396.035 1.376 50 1 GDGF CNC(=S)NNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1857571018 VPDLZUOAKMXUMX-UHFFFAOYSA-N 383.429 1.964 50 1 GDGF CCN(CC)c1ccc(-c2nn(C(=O)C(=O)NN)c(=O)c3ccccc23)c(O)c1 587666934 IKNXROOIAHXASG-UHFFFAOYSA-N 395.419 1.245 50 1 GDGF O=C([C@H]1Cc2ccccc2[C@H](c2ccc(B(O)O)c(F)c2F)N1)C(F)(F)F 962704869 DPNWFQHAQBKWDT-IUODEOHRSA-N 385.097 1.380 50 1 GDGF CNC(=O)N/N=C(\c1ccc(N)cc1)c1cc2c(cc1CC(=O)OC)OCO2 13487445 ZBNHMDWAQJXDOT-RELWKKBWSA-N 384.392 1.394 50 1 GDGF Cc1cc(-n2nccn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F 1857561008 VOTAKFAKQLJZRE-UHFFFAOYSA-N 375.385 1.338 50 1 GDGF CC=C(C=O)[C@@H](CC(=O)OCCc1ccc(O)c(O)c1)[C@H](C=O)C(=O)OC 2356482420 LTKAHEKEHUYXLZ-CABCVRRESA-N 378.377 1.323 50 1 GDGF COc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c(O)c(OC)c1 49068158 SFDYXKBCVJMVAK-GIJQJNRQSA-N 375.337 1.847 50 1 GDGF C=C(C)C(=O)O[C@@H]1[C@H](OCC)C(C=O)=CCCC(CO)=C[C@@H]2OC(=O)C(=C)[C@H]21 2356653756 JSCXGQXFCTYXGO-MANSERQUSA-N 390.432 1.815 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC)[C@H](OC(=O)C(C)=CC)[C@@H]12 2356679540 XAOFUSOWRJMKQF-YDZRNGNQSA-N 390.432 1.815 50 1 GDGF CCOc1cccc2cc(C(=O)NNC(=O)c3cccc(OC)c3O)c(=O)oc12 1857570026 JXNJFBFDFYPDAN-UHFFFAOYSA-N 398.371 1.981 50 1 GDGF C=C1C(=O)O[C@H]2C=C(C)CC[C@@H](OO)C(=C)C[C@H](OC(=O)C(=CCO)CO)[C@H]12 2356427367 XKKROPUZCIUQMV-VSZNYVQBSA-N 394.420 1.452 50 1 GDGF CC(=O)C1=C(O)/C(=C(\O)Nc2cccc(N3C(=O)CCC3=O)c2)C(=O)OC1=O 169336504 POYNCUYPQCOWLY-JQIJEIRASA-N 386.316 1.006 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(C=O)CC[C@@H]3O[C@]3(COC(C)=O)C[C@H](OC(C)=O)[C@@H]12 2356523778 FIUKBHLOUGCTHU-QSUVVDIXSA-N 378.377 1.026 50 1 GDGF Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccc(Cl)cc3)c2C)c(N)n1 103231844 BCWNUVSOGFEYKR-QPSGOUHRSA-N 384.831 1.733 50 1 GDGF CN(C)[N+](=O)NOc1cc(OC(=O)c2cccnc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 377803799 AZJUTFRJUNQPCY-UHFFFAOYSA-N 393.292 1.171 50 1 GDGF C[C@@H]1CC(=O)C2=C(C1)[C@H](Cl)[C@H](O)[C@]1(O)[C@@H]2C(=O)c2cccc(O)c2[C@H]1O 2356643919 LYWPTXLFCTXKBJ-LLRCOVSHSA-N 378.808 1.247 50 1 GDGF C[C@@H]1O[C@]1(C)C(=O)O[C@@H]1[C@H]2[C@@H](C)C(=O)O[C@H]2[C@@H]2[C@]3(C)CC=C[C@]2(C)[C@@]1(O)OO3 238735290 IMPHZOKTPQRSMU-LXQQHIGESA-N 394.420 1.258 50 1 GDGF O=C(OC1C[C@H]2[C@@H]3O[C@H]3[C@@H](C1)N2CBr)[C@@H](CO)c1ccccc1 2356576338 WRLNTYOXEQJCFT-VXZLTAEBSA-N 382.254 1.641 50 1 GDGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](Cl)C(=O)C(=O)[C@@H]1Cl 587462707 RIDXPGSLRYCZQN-KCTSRDHCSA-N 385.199 1.984 50 1 GDGF N#CC1=C2CCCN2[C@@](O)(N2CCOCC2)[C@@H]1/N=C/c1ccc([N+](=O)[O-])cc1 169306026 JRJGIIAILWFKNF-DBLSVSNQSA-N 383.408 1.248 50 1 GDGF CC1(C)CN1P(=O)(NC(=O)NCCn1ccnc1[N+](=O)[O-])N1CC1(C)C 43705823 GQGGNCZNIWNWFE-UHFFFAOYSA-N 385.365 1.387 50 1 GDGF O=C(CCCCC(=O)N/N=C/c1ccc(I)cc1)NO 95808759 RFQYZMAOYXWNQD-OQLLNIDSSA-N 389.193 1.807 50 1 GDGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccc(F)c(B(O)O)c3)N12 962667454 MZZONFGIJSILRW-WIYYLYMNSA-N 394.211 1.242 50 1 GDGF C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(N[C@@H]3C[C@@H]4CC[C@@H]3C4)ncnc21 101211750 KJRVCYQOURUJNS-UVFSQJQYSA-N 393.875 1.675 50 1 GDGF C[C@@]12CC(=O)[C@@H](CC(=O)C[C@H]3C[C@@H](O[C@]3(C)CCl)[C@@]34O[C@@H]3[C@@H](C1)OC4=O)O2 2356610859 ADSJDZADTCOKBY-MLUCCACXSA-N 398.839 1.322 50 1 GDGF C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CCl)[C@@H]2[C@@H]2OC(=O)C(=C)[C@H]12 238776013 ONMAQPPVCANFPB-LSYIGHHSSA-N 382.840 1.499 50 1 GDGF C=C1C[C@H](OC(=O)C(C)=CC)[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](O)[C@]2(O)CCl 2356378991 ZHTAPHUCILGZBM-FTUNZTKESA-N 398.883 1.969 50 1 GDGF CC(=O)N[C@@H](C)C(=O)N/N=C/[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 28253218 ZXJNTMWTKAJDGW-QFPHNYCCSA-N 380.448 1.654 50 1 GDGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCl)c1c(O)nc(=O)n(C)c1N 963630090 BKWGFWLSRSQKTJ-YYSFKGJASA-N 394.859 1.102 50 1 GDGF C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1ccc(N)cc1 71294192 BRFGIONWEOHBKF-RGVLZGJSSA-N 386.433 1.670 50 1 GDGF C/C(=N\NC(N)=O)c1ccc2ncc([C@H](O)c3ccc4ncccc4c3)n2n1 96169129 ODNOCEBSNHDUMR-TYLRVVQJSA-N 375.392 1.752 50 1 GDGF C=CCN(N=O)C(=O)NCCC[C@H](NC(C)=O)C(=O)NCc1ccccc1 5663031 JARIZQCIPSZURJ-INIZCTEOSA-N 375.429 1.467 50 1 GDGF C=C(C(=O)O[C@@H]1CC(C)=CCCC(C=O)=C[C@@H]2OC(=O)C(=C)[C@@H]21)[C@@H](O)CO 2356503372 GCPJCNXGKVLIOY-XWTMOSNGSA-N 376.405 1.161 50 1 GDGF Cn1c2cc(B(O)O)sc2c2cnn(Cc3c(F)cccc3Cl)c(=O)c21 195434440 JRUKVHSMKADHDV-UHFFFAOYSA-N 391.620 1.470 50 1 GDGF C=C1C[C@H](OC(=O)C(C)=CC)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](O)[C@@]2(O)CCl 2356525723 ZSYKCZZWACIFPT-WNTNUOBASA-N 396.867 1.889 50 1 GDGF C=C(C)C(=O)O[C@@H]1C=C(C=O)[C@H](OCC)CCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 2356635865 MVHWAMDNVFDMJV-QQXKLLMISA-N 390.432 1.813 50 1 GDGF O=C1O[C@@](Cc2cc3cc(O)cc(O)c3c(=O)o2)(C(Cl)Cl)C[C@H]1O 2356456255 WLSIGSTXXIHFIZ-MEBBXXQBSA-N 375.160 1.597 50 1 GDGF CCOc1c(/C=N\NC(=O)c2ccncc2)cccc1CN1CCN(C)CC1 103222051 QRHSOLJOXBQSAM-HAHDFKILSA-N 381.480 1.992 50 1 GDGF NNC(=O)c1ccnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587888894 CXAAXCRXPGZXGI-UHFFFAOYSA-N 377.231 1.702 50 1 GDGF CCCn1c(=O)c2[nH]c(N(CCCl)CCCl)nc2n(CCC)c1=O 12405641 YEAYMUNSZGXOSO-UHFFFAOYSA-N 376.288 1.990 50 1 GDGF CC1(C)C[N@]1P(=O)(NC(=O)OCCn1ccnc1[N+](=O)[O-])[N@@]1CC1(C)C 1857562439 OJQPSXZXCFLKKZ-OALUTQOASA-N 386.349 1.814 50 1 GDGF CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO)O[C@H](n2ccc(N)nc2=O)C1(F)F 195399033 MAKBJUIOPCTFNB-DLOVCJGASA-N 377.464 1.741 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(O)=CCO)C=C(C)[C@@]1(OO)CC=C(C)[C@@H]21 2356667557 WSRFTQCEQNYNFO-TVEAVKIZSA-N 378.377 1.585 50 1 GDGF C=CCN(N=O)C(=O)NCCCC[C@H](NC(C)=O)C(=O)NCc1ccccc1 5663001 NYJRGGMIIZJDLE-KRWDZBQOSA-N 389.456 1.857 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C=C(C)[C@]1(OO)CC=C(C)[C@@H]21 2356447424 RKTXNXWAPMYGJZ-YNIGFRRXSA-N 392.404 1.062 50 1 GDGF COc1ccc(CCc2cc(=O)c3c(o2)[C@H](Cl)[C@H](O)[C@H](O)[C@H]3O)cc1O 2356729603 VDGFKYPRROFDLY-LTIDMASMSA-N 382.796 1.188 50 1 GDGF CC(C)C[C@H](NC(=O)[C@H](Cc1ccccn1)NC(=O)C1CCCCC1)B(O)O 195106923 NRGOZXOZMXHYRF-ROUUACIJSA-N 389.305 1.232 50 1 GDGF Cc1noc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/N(C)C)cc2)c1C 299827707 HFUFPVZVXOPONL-JLHYYAGUSA-N 389.437 2.000 50 1 GDGF O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 1002587 WILZNWWEBADQDB-NGYBGAFCSA-N 383.320 1.925 50 3 GDGF CCNC(=S)NNC(=O)c1csc(NC(=S)NC2CCCCC2)n1 5734152 IHSODJFLMAGOIR-UHFFFAOYSA-N 386.572 1.891 50 1 GDGF Cc1ccccc1[C@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c1cccnc1 195469529 SWQJAGCMUSOOTB-OALUTQOASA-N 397.284 1.794 50 1 GDGF CCn1cc(C(=O)N/N=C2\C(=O)Nc3ccccc32)c(=O)c2ccc(C)nc21 64510666 ZTMAZUHTOFLFPA-UHFFFAOYSA-N 375.388 1.811 50 1 GDGF Cc1cc(B(O)O)cc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1F 962731791 UPDPACZRVVVYGP-GDBMZVCRSA-N 381.134 1.549 50 1 GDGF COC1=CN(CC(=O)O)C(CCl)=C[C@@]12NCCc1c2c(C(C)C)nn1C 962920381 MRJMGEGUUSOAPI-GOSISDBHSA-N 380.876 1.895 50 1 GDGF COC(=O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=N/NC(=O)c1ccncc1 1857614835 GIYXOSCJMVLXQV-UCSGKIPZSA-N 391.468 1.669 50 1 GDGF O=C(NN=C1C(=O)Nc2ccc(F)cc21)NN=C1C(=O)Nc2ccc(F)cc21 1911580447 JZOOOEHEEFDKGM-UHFFFAOYSA-N 384.302 1.277 50 1 GDGF Cn1cnc(C(=O)NNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c1 1857648444 USYARVLYSMXFQN-UHFFFAOYSA-N 378.388 1.491 50 1 GDGF [O-]/[N+](=C\[C@@H](O)[C@H](O)CO)CCCc1ccc(N(CCCl)CCCl)cc1 64448719 QHFFRRPPAZHOQC-SJJRUYGKSA-N 393.311 1.198 50 1 GDGF Cc1cc(B(O)O)cc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1F 962731794 UPDPACZRVVVYGP-ZBFHGGJFSA-N 381.134 1.549 50 1 GDGF N#Cc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 73195616 YWJVUYFXCAIEJZ-LSFURLLWSA-N 377.429 1.969 50 1 GDGF CC1(C)CN1P(=O)(NC(=O)OCCn1ccnc1[N+](=O)[O-])N1CC1(C)C 43676742 OJQPSXZXCFLKKZ-UHFFFAOYSA-N 386.349 1.814 50 1 GDGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)C[C@H](OC(=O)/C(=C\C)CO)[C@@H]12 238746033 HJCDUXVYKZXOOB-XGUHSRKESA-N 376.405 1.163 50 1 GDGF CO[C@@]12CCN(C)C[C@H]1[C@H](c1ccc(N3CCOCC3)cc1)C(C#N)=C(N)O2 71294485 JUWIAVPJRFAMGF-QKNQBKEWSA-N 384.480 1.625 50 1 GDGF CC1=NNC(=O)[C@@H]1[C@H]1C(=O)NN=C(c2c[nH]c3ccccc23)[C@@H]1Br 195497965 CTXDHXWHBFPWLD-YNEHKIRRSA-N 388.225 1.503 50 1 GDGF COc1ccccc1CNC(=O)NNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 201455162 YDVLKGODQNXITR-UHFFFAOYSA-N 390.400 1.337 50 3 GDGF O=C(O)[C@@H]1CCS[C@H](CCO[P@](=O)(NCCl)NCCCl)N1 1857758218 LKMPHDNUCYFGFJ-WDKLKTEZSA-N 380.234 1.621 50 1 GDGF CCOC(=O)Cc1cc2c(cc1/C(=N/NC(=O)NC)c1ccc(N)cc1)OCO2 27517968 GEMSXWRRRYKGDR-FCDQGJHFSA-N 398.419 1.785 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)CC=C(C)O)C=C(C=O)CCC[C@@]1(CO1)[C@H]2O 2356481302 KURZDPLIQTTXNZ-LZRWSTQFSA-N 392.404 1.287 50 1 GDGF C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2[C@@H](O)C(=C)CCC=C(C=O)[C@H]1OC 2356460178 LQWAJKFPTTWLRD-JCECYMMASA-N 376.405 1.423 50 1 GDGF O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H]1O 40917514 GWUOJELSUSGGDU-IDTAVKCVSA-N 388.255 1.692 50 1 GDGF in-vivo COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963017058 BHHLTRIJPNGDBJ-NFSSXHDISA-N 376.840 1.695 50 1 GDGF C=C(C)C(=O)O[C@@H]1C=C(C=O)[C@H](OC)CCC(=C)[C@H](O)[C@@H]2OC(=O)C(=C)[C@@H]12 2356294082 JYJDQGQWAQKPAO-DFBDCSAJSA-N 376.405 1.423 50 1 GDGF C=C1C(=O)O[C@H]2[C@H]1C[C@H](O)[C@](C)(OC(=O)/C(C)=C/C)[C@@]13C=C[C@](C)(OO1)[C@H]23 104378401 UMHHYRUGXILZJB-ZMJWYINXSA-N 376.405 1.762 50 1 GDGF in-man CCOC(=O)[C@@H](Cl)[C@@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419740 YVTOOUMNNJSZFB-MZKGEVEHSA-N 382.796 1.915 50 1 GDGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cc(F)ccc1O 618008255 WEZBMDFGCIUSKZ-LBPRGKRZSA-N 376.475 1.746 50 1 GDGF O=C(Cn1nnnc1-c1ccc2c(c1)OCO2)N/N=C/c1ccccc1Cl 103225659 RRUQCGOIMOOGFU-UFWORHAWSA-N 384.783 1.873 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23 2356763627 OPFLLZPIXLWOST-YOSIWLQUSA-N 376.405 1.762 50 1 GDGF CCN(CC)Cc1nc(C2(NC(=O)[C@H]3CC(=O)N[C@H](Cl)C3)CCCC2)no1 618015034 QPUFZHYMDUDAJP-OLZOCXBDSA-N 397.907 1.888 50 1 GDGF COC1=C/C(=C/NNC(=O)CCNC(=O)c2ccccc2Cl)C=CC1=O 13119287 PBNKMRHAAMWUAW-VAWYXSNFSA-N 375.812 1.634 50 3 GDGF O=S(=O)(c1ccc2nc(/C=C/CBr)[nH]c2c1)N1CCOCC1 586973266 HCXGZKKQJARRSE-OWOJBTEDSA-N 386.271 1.992 50 1 GDGF C=CC(=O)N(CC(=O)N[C@@H](Cc1ccc(C)cc1C)B(O)O)c1ccccc1F 1857570273 BLDPQPOUIDGHGL-IBGZPJMESA-N 398.243 1.701 50 1 GDGF C=C1CC[C@H](O)[C@]2(C)C=CC(=O)[C@H](C)[C@@H]2[C@H](O)[C@]2(O)[C@H](C)C(=O)O[C@@H]2[C@H]1Cl 2356790537 FRUVMLCGTZBETH-LSHPJSJCSA-N 398.883 1.356 50 1 GDGF COC1=CC[C@@H]2C[C@H]3OC(=O)C[C@H]4C(C=O)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C 653797788 KXHIRQAQWBJGIS-CXKOCEMGSA-N 388.416 1.752 50 1 GDGF O=C(O)C1=NN(c2cccc(Cl)c2)C(=O)[C@@H](I)C1=O 957657252 BXOHOPHVBOIJLW-ZETCQYMHSA-N 392.536 1.500 50 1 GDGF C=C1C(=O)O[C@H]2[C@@H]3[C@@]4(C=C[C@@]3(C)OO4)[C@](C)(OC(=O)/C(C)=C/C)[C@@H](O)C[C@H]12 257555275 UMHHYRUGXILZJB-RTGAMKHNSA-N 376.405 1.762 50 1 GDGF endogenous,in-man Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)[C@H]1COc2ccccc2O1 169691082 LKOXGENSQWFWJU-PGNNWUFWSA-N 378.388 1.764 50 1 GDGF Cc1c(O)ccc2c1[C@](c1ccc(B(O)O)cc1)(C1CCCC1)N[C@H](C(=O)O)C2 963505965 DDGHLHQRATVKRT-PGRDOPGGSA-N 395.264 1.413 50 1 GDGF CN[P@@](=O)(OCCC(OC(C)=O)OC(C)=O)N(CCCl)CCCl 26170921 JWPZFLJTZAMRAS-HSZRJFAPSA-N 393.204 1.953 50 1 GDGF C/C(=N\NC(N)=O)c1ccc2ncc(Cc3c(F)cc4c(cnn4C)c3F)n2n1 96169145 YLTXBDJTRBPKHO-PGGKNCGUSA-N 398.377 1.877 50 1 GDGF C[C@]12C[C@@H](O)[C@H]3[C@@H](C[C@H](Cl)C4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO 253637850 YPALCUPIOICVHI-TXJLTDDLSA-N 394.895 1.775 50 1 GDGF COc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-n2cccn2)c1 1857565303 UKQVBNRMTJFTJZ-UHFFFAOYSA-N 390.396 1.643 50 1 GDGF Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccncc2)c1-c1ccccc1 33335810 NMWSFHOBJVDICZ-JMIUGGIZSA-N 375.352 1.058 50 1 GDGF C/C=C(\C)C(=O)O[C@@H]1C(=O)[C@@]2(C)O[C@H]2C[C@H]1[C@]1(C(=O)/C=C/C(C)(C)OO)CO1 238759109 FFSZFSPHSRVERO-ZDCYVIRMSA-N 394.420 1.773 50 1 GDGF C/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccnc1 5975701 OBUTWRFMOZAIAR-ZHZULCJRSA-N 388.449 1.257 50 1 GDGF COc1ccc(S(C)(=O)=O)cc1C(=O)NCCSSCCN(C)C 198575364 AXQJSQZOIZOVKW-UHFFFAOYSA-N 392.568 1.772 50 1 GDGF CN[P@](=O)(OCCC(OC(C)=O)OC(C)=O)N(CCCl)CCCl 100815356 JWPZFLJTZAMRAS-QHCPKHFHSA-N 393.204 1.953 50 1 GDGF C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2C[C@H](O)[C@](O)(CCl)[C@@H]2[C@H]2OC(=C)C(=C)[C@H]12 45496071 PLRNJPRHWFZGAM-GBTJBWBJSA-N 396.867 1.458 50 1 GDGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1 13555325 UUBUFMXFSOSAJV-INIZCTEOSA-N 385.380 1.495 50 1 GDGF C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](Cl)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO 118933353 YPALCUPIOICVHI-HVIRSNARSA-N 394.895 1.775 50 1 GDGF CN1C(NNC(=O)c2ccc([N+](=O)[O-])o2)=NS(=O)(=O)c2cc(Cl)ccc21 28951293 IDPHTZQCRHSUQO-UHFFFAOYSA-N 399.772 1.270 50 1 GDGF CC=C(C=O)[C@@H](CC(=O)OCCc1ccc(O)c(O)c1)C(=CO)C(=O)OC 2356681333 QIIVCNGZTQBIJG-CQSZACIVSA-N 378.377 1.950 50 1 GDGF Cc1cc2c(cc1O)[C@@](CBr)(c1cnccn1)N[C@H](C(=O)O)C2 963521022 AKTRMAHXAVXVKS-LRDDRELGSA-N 378.226 1.728 50 1 GDGF CCN(CCCl)[P@@]1(=O)OCC[C@@H](OO)N1CCOS(C)(=O)=O 60132397 QASKVMAKQLORSY-LADRHHBVSA-N 380.787 1.169 50 1 GDGF CC(=O)Nc1ccc(/C=N\NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 136931665 LYHOATACARQQOC-UNOMPAQXSA-N 388.449 1.659 50 3 GDGF Cc1c(O)ccc2c1[C@@](C)(c1ccc(O[C@@H](C)C(=O)NN)cc1)N[C@H](C(=O)O)C2 963492085 QDEJAIOUWDDTSH-LBJGKRIESA-N 399.447 1.320 50 1 GDGF COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]c(=S)[nH]c(=O)c32)cc(OC)c1OC 7342733 CLMMUBHUKIUGLW-LLVKDONJSA-N 388.405 1.676 50 1 GDGF C[C@H](Br)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587007866 FNCUOVKBZYPIPH-NSHDSACASA-N 381.274 1.769 50 1 GDGF COc1ccc(NC(=O)CC/C(CC(=O)C(C)(C)C)=N\NC(=O)C(N)=O)cc1 17195493 GXWHSIVQDVLJBX-LPYMAVHISA-N 390.440 1.377 50 1 GDGF CC1=Nc2ccccc2/C1=C/NNC(=O)CNC(=O)c1ccc2c(c1)OCCO2 104000411 YEZUHXSDMSWHLJ-LFIBNONCSA-N 392.415 1.956 50 3 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)CC(=C)[C@]1(OO)CC=C(C)[C@@H]21 2356664550 ZFVASFTUEVIQJA-YNIGFRRXSA-N 392.404 1.062 50 1 GDGF CCN(CCCl)[P@]1(=O)OCC[C@@H](OO)N1CCOS(C)(=O)=O 60132394 QASKVMAKQLORSY-UZJPJQLHSA-N 380.787 1.169 50 1 GDGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3ccccc3B(O)O)N12 962674643 VTCIZPJAHIXOTL-WIYYLYMNSA-N 376.221 1.103 50 1 GDGF CCOc1cccc2cc(C(=O)NNC(=O)c3cc(OC)ccc3O)c(=O)oc12 1857558176 PEVWEVFFFWIMNW-UHFFFAOYSA-N 398.371 1.981 50 1 GDGF COCCCN1CCc2ccc(OC)cc2[C@@]1(c1ccc(B(O)O)cc1)C1CC1 961316902 DFPFBYCYZIRXRX-QHCPKHFHSA-N 395.308 1.923 50 1 GDGF CS(=O)(=O)c1cc([N+](=O)[O-])c(N(CCCl)CCCl)cc1C(N)=O 43544062 AKCMBQKAUPJZDJ-UHFFFAOYSA-N 384.241 1.381 50 1 GDGF CCc1ccc(N2C[C@H](C(=O)NN/C=C3\C=C([N+](=O)[O-])C=CC3=O)CC2=O)cc1 13124332 QGNNAZJYABWOIU-ATGUSINASA-N 396.403 1.406 50 3 GDGF C/C=C/C(=O)NNC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc([N+](=O)[O-])c1 103293781 HIXDONRHNAVRSE-KQIUPUNMSA-N 375.410 1.111 50 1 GDGF CC(C)(C)O[C@@H](CCNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O 29210066 AGYCGZRCTZYTEC-JTQLQIEISA-N 393.803 1.311 50 1 GDGF O=C1C=C(NCCCBr)C(=O)C=C1NCCCBr 299825990 MOIZGJHQDLIONH-UHFFFAOYSA-N 380.080 1.655 50 1 GDGF CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 169373084 XRACENWIFUNKDF-QDBAFKKHSA-N 398.839 1.552 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@@H]23 2356763624 OPFLLZPIXLWOST-CXXOJBQZSA-N 376.405 1.762 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(C=O)CC[C@@H]3O[C@]3(COC(C)=O)C[C@@H](OC(C)=O)[C@@H]12 2356523776 FIUKBHLOUGCTHU-GJGATLCTSA-N 378.377 1.026 50 1 GDGF CC(C)[C@@]1([C@@H](C)Br)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963213244 GSBCUBPZXPKMQQ-FIHUPRISSA-N 395.301 1.802 50 1 GDGF COc1cc(/C=N/NC(=O)c2cccc(C(=O)NO)c2)c([N+](=O)[O-])cc1OC 95808981 OYDKPPDKTSHRCJ-GIJQJNRQSA-N 388.336 1.495 50 1 GDGF O=C(CCl)N1CCN(CCN2C(=O)[C@H](Cl)[C@@H]2c2cccc(O)c2)CC1 103196972 ALSHXQAKSRCBLE-CVEARBPZSA-N 386.279 1.266 50 1 GDGF CC1=CC(=O)O[C@@H]2CC[N@+]3(CCl)CC[C@H](COC(=O)[C@](C)(O)[C@@H](C)C1)[C@H]23 2356320182 LGHRCDVEZVROEB-PWLXFCALSA-N 386.896 1.984 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)CC=C(C)O)C=C(C=O)CCC[C@]1(CO1)[C@@H]2O 2356481304 KURZDPLIQTTXNZ-SNOHLBKASA-N 392.404 1.287 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)C[C@H](OC(=O)C(=CC)CO)[C@H]12 2356654705 HJCDUXVYKZXOOB-FGTMMUONSA-N 376.405 1.163 50 1 GDGF COc1cccc([C@H]2c3cc4c(cc3O[C@@H](NNC(N)=O)[C@@H]2C)OCO4)c1O 16958635 JAONDLJNKHLARC-YMBBQFJWSA-N 387.392 1.789 50 1 GDGF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c1 586931135 WPBPKQKWNLOKSW-UHFFFAOYSA-N 387.465 1.864 50 1 GDGF O=C(O)C(=O)N[C@@H](CSSc1cccc(Br)c1)C(=O)O 84653397 KMBULFOILUDYSQ-QMMMGPOBSA-N 380.241 1.843 50 1 GDGF CCN(CC)Cc1nc(C2(NC(=O)[C@@H]3CC(=O)N[C@@H](Cl)C3)CCCC2)no1 618015035 QPUFZHYMDUDAJP-QWHCGFSZSA-N 397.907 1.888 50 1 GDGF COc1cccc(/C(C)=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)c1 71296110 IIIMWXOIWGQQCZ-YBFXNURJSA-N 387.417 1.754 50 1 GDGF NCCNC(=O)c1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-] 43552660 QRXMHYZXRNUTMQ-UHFFFAOYSA-N 394.215 1.476 50 1 GDGF Cc1ccccc1[C@@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c1cccnc1 195469523 SWQJAGCMUSOOTB-MOPGFXCFSA-N 397.284 1.794 50 1 GDGF O=C(NNC(=O)[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccco1)c1ccncc1 473089789 LZKXYLIJHSQUKB-SJORKVTESA-N 376.372 1.840 50 1 GDGF C[C@@H]1CC(=O)C2=C(C1)[C@H](Cl)[C@H](O)[C@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@H]1O 2356643918 LYWPTXLFCTXKBJ-KNOUCMHWSA-N 378.808 1.247 50 1 GDGF C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(N[C@@H]3C[C@H]4CC[C@@H]3C4)ncnc21 40406676 KJRVCYQOURUJNS-UFSROFHWSA-N 393.875 1.675 50 1 GDGF CO/N=C(/C(=O)NCCSSCCN(C)C)c1csc(NC=O)n1 618007828 JZCPAMBJLAZXQJ-GZTJUZNOSA-N 391.544 1.121 50 1 GDGF CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@@H]2OC(=O)[C@H](C)[C@@H]12 2356421373 HJZVZKYDRKLUIF-JASIXOCMSA-N 380.437 1.922 50 1 GDGF C[C@@]1(CSC2=NCCS2)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(=O)O 26375616 SIVNUZUWNGEGKW-AGNDVQSCSA-N 397.341 1.713 50 1 GDGF COc1cc(O)c2c(=O)oc(C[C@]3(C(Cl)Cl)C[C@@H](O)C(=O)O3)cc2c1 2356325255 WVPCKHBOHMSILA-BDJLRTHQSA-N 389.187 1.900 50 1 GDGF CC[C@]1(c2ccc(B(O)O)cc2)c2cc(OC)ccc2CCN1CCCOC 961326135 QXTDENFKXSZTON-QFIPXVFZSA-N 383.297 1.923 50 1 GDGF CC(C)C[C@H](NC(=O)C[C@H](NC(=O)c1cccnc1)c1ccccc1)B(O)O 195292540 HLZTYGFKTWTUGN-ROUUACIJSA-N 383.257 1.486 50 1 GDGF COc1ccc2c3c1O[C@H]1/C(=N\NC(N)=O)CC[C@@]4(OC)[C@@H](C2)N(C)CC[C@]314 64361355 LYUBOSVGHPNOCH-GGDZVYIDSA-N 386.452 1.158 50 1 GDGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccccc3B(O)O)N12 962674626 VTCIZPJAHIXOTL-GHTZIAJQSA-N 376.221 1.103 50 1 GDGF C=C1C[C@H](OC(=O)C(C)=CC)[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@@H](O)[C@]2(O)CCl 2356378993 ZHTAPHUCILGZBM-HNGVZXGRSA-N 398.883 1.969 50 1 GDGF CCN(CC)CCN1C(=O)/C(=N\NC(=O)CN2CCCCC2)c2ccccc21 1772654146 YFEDDRKFZLKYDD-ATJXCDBQSA-N 385.512 1.681 50 1 GDGF O=C1CN(C(=O)C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CCN1 49781298 XIWWSSWRWZNFQU-UHFFFAOYSA-N 390.480 1.962 50 1 GDGF O=CNCC(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49745597 FRZGEGJPIJNUJW-UHFFFAOYSA-N 378.469 1.866 50 1 GDGF COc1cc([N+](=O)[O-])c[c-](/C=N/NC(=O)c2cncc(Br)c2)c1=O 169693166 RWNSUIHIALQXQS-UBKPWBPPSA-N 394.161 1.604 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC)[C@@H](OC(=O)C(C)=CC)[C@H]12 2356679543 XAOFUSOWRJMKQF-YRXWBPOGSA-N 390.432 1.815 50 1 GDGF CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C)B(O)O 653723896 JHFWWIFBVREJLE-IRXDYDNUSA-N 376.306 1.693 50 1 GDGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](Cl)C(=O)C(=O)[C@H]1Cl 587462706 RIDXPGSLRYCZQN-JGFGOQIWSA-N 385.199 1.984 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](C(=C)C=O)[C@](C)([C@H]1CO1)[C@H]2O 2356389889 KHETWGVZAJUMQY-FHCMSMHSSA-N 376.405 1.113 50 1 GDGF COC1=C/C(=C/NNC(=O)C(=O)/C=C2\NC(C)(C)Cc3ccccc32)C=CC1=O 36173821 LOBMGDJAVBZMFT-BHMRTXDOSA-N 393.443 1.695 50 3 GDGF CN(C)CCSSCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O 618009319 VKBPBFJIRYWBCC-GFCCVEGCSA-N 395.591 1.710 50 1 GDGF C=C(C)C(=O)O[C@@H]1[C@@H](OC)/C(C=O)=C\CCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 13585321 LQWAJKFPTTWLRD-GQECNIPLSA-N 376.405 1.423 50 1 GDGF biogenic C=C1C[C@H](OC(=O)C=CC)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@@H](O)[C@]2(O)CCl 2356646464 DEOAEBOOLNZVLW-RXUPDNGISA-N 382.840 1.499 50 1 GDGF C=C1C(=O)O[C@H]2[C@@H]3[C@@]4(C=C[C@@]3(C)OO4)[C@@](C)(OC(=O)/C(C)=C/C)[C@@H](O)C[C@H]12 257555274 UMHHYRUGXILZJB-MXMPIZPQSA-N 376.405 1.762 50 1 GDGF endogenous,in-man CCOC(=O)[C@H](C(=O)O)N1C=CCC(C(=O)N/N=C/c2ccc(OC)cc2)=C1 100086996 KOZGLTAKYZICEA-YODDIOPGSA-N 387.392 1.265 50 1 GDGF Nc1ccccc1C(=O)N/N=C1/C2CN3CCN(C2)CC1(Cc1ccccc1)C3 22920684 IBPSTAAVVMESRQ-DAFNUICNSA-N 389.503 1.845 50 3 GDGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)[C@@H]1COCCO1 1857552922 ULSZIELRWINQBS-YUYIWDJPSA-N 379.800 1.864 50 1 GDGF COc1ccc(Cl)cc1C#Cc1c(C)nn(Cn2ccc(C(=O)NN)n2)c1C 587902735 OJWSOXNNMYLSIK-UHFFFAOYSA-N 398.854 1.868 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C=C(C)[C@@]1(OO)CC=C(C)[C@@H]21 2356447421 RKTXNXWAPMYGJZ-DYWWHBPLSA-N 392.404 1.062 50 1 GDGF CCOC(=O)[C@H](C(=O)O)[n+]1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1 40863808 RTCLAGOLYLTBKT-HNNXBMFYSA-O 390.803 1.580 50 1 GDGF C[C@]12C=CC(=O)C=C1[C@@H](Cl)C[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 253637842 YPALCUPIOICVHI-DGZUQGPRSA-N 394.895 1.775 50 1 GDGF O=C(N/N=C1\CCc2cccc(O)c21)c1cccc(C(=O)N2CCOCC2)c1 1857561914 UFVDJKTWDZWQPQ-OQKWZONESA-N 379.416 1.945 50 1 GDGF O=C(CCCc1nc(O)c2ccccc2n1)N/N=C/c1cc(O)c(O)c(O)c1 299859003 VCGVPIFBHOACNI-KEBDBYFISA-N 382.376 1.925 50 1 GDGF NNC(=O)c1ncccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587881686 WYMYXUDPAUQSGB-UHFFFAOYSA-N 377.231 1.702 50 1 GDGF N[C@H](CCc1ccccc1)[C@H](O)C(=O)NNC(=O)c1ccc2ccccc2c1 27979975 NZHGHSOVEJXYOP-UXHICEINSA-N 377.444 1.922 50 1 GDGF C[C@H](Br)C(=O)Nc1ccc(Br)c(C(=O)NC(N)=O)c1 40379009 SFYHKEDXPDFFLH-YFKPBYRVSA-N 393.035 1.980 50 1 GDGF C=C1C[C@H](OC(=O)C(C)=CC)[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](O)[C@@]2(O)CCl 2356378996 ZHTAPHUCILGZBM-SCJYFROHSA-N 398.883 1.969 50 1 GDGF OB(O)c1ccccc1CN1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 1772613220 LMBLXMWDAGCPAY-UHFFFAOYSA-N 380.175 1.824 50 1 GDGF O[C@H]1[C@H](O)[C@H](CCl)O[C@@H]1n1cnc2c(N[C@@H]3C[C@@H]4CC[C@@H]3C4)ncnc21 100680984 PVJGDYDNVNCGBT-FTEFDAQKSA-N 379.848 1.285 50 1 GDGF CCN1C(NNC(=O)c2ccc([N+](=O)[O-])o2)=NS(=O)(=O)c2ccccc21 28951290 RSSIZWNMUWKNLC-UHFFFAOYSA-N 379.354 1.007 50 1 GDGF C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)CC(C)C)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23 238749402 VZDQQSIOBHVJOY-HBBIZSTPSA-N 378.421 1.842 50 1 GDGF C=C(C)C(=O)O[C@@H]1[C@@H](OC)/C(C=O)=C\CC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@@H]12 238772505 WQCKGEIRROZIBA-RJIMYSJXSA-N 376.405 1.425 50 1 GDGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](Cl)C(=O)C(=O)[C@@H]1Cl 587462708 RIDXPGSLRYCZQN-PJQXDXOGSA-N 385.199 1.984 50 1 GDGF C=C1C(=O)O[C@H]2[C@H]3[C@@](C)(O)C=C[C@@]3(OO)[C@@](C)(O)[C@@H](OC(=O)C(C)=CC)C[C@H]12 2356690338 TXADFCZCUCIAJZ-APJTUZKOSA-N 394.420 1.282 50 1 GDGF CC1=NC(=O)NC(=O)/C1=C/NNC(=O)CCCCCNC(=O)OC(C)(C)C 103981142 DGBMHECKDLIBFB-ZRDIBKRKSA-N 381.433 1.287 50 3 GDGF C=C(C)C(=O)O[C@@H]1[C@@H](OC)/C(C=O)=C\CC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12 103537369 WQCKGEIRROZIBA-JMSTWJIQSA-N 376.405 1.425 50 1 GDGF biogenic,in-vitro C=C(C)C(=O)O[C@@H]1[C@H](OC)C(C=O)=CCCC(CO)=C[C@H]2OC(=O)C(=C)[C@@H]12 2356391447 WQCKGEIRROZIBA-TVFCKZIOSA-N 376.405 1.425 50 1 GDGF O=C(N[C@@H](Cc1ccc(Cl)cc1)B(O)O)c1cn(Cc2ccccc2)nn1 1857577847 GUGJUIPVLVFKCT-KRWDZBQOSA-N 384.632 1.333 50 1 GDGF Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccccc3Cl)c2C)c(N)n1 103231847 SJLXQGQTKYIVPK-ODCIPOBUSA-N 384.831 1.733 50 1 GDGF C[C@]1(c2ccccc2B(O)O)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962669754 QHAXLPDFYNRALR-FGZHOGPDSA-N 390.248 1.277 50 1 GDGF CC=C(C=O)[C@H](CC(=O)OCCc1ccc(O)c(O)c1)[C@H](C=O)C(=O)OC 2356482421 LTKAHEKEHUYXLZ-GJZGRUSLSA-N 378.377 1.323 50 1 GDGF Cc1cc(=O)oc2cc(OCC(=O)N/N=C/[c-]3cc([N+](=O)[O-])ccc3=O)ccc12 169688681 GIZHXBPNHDGHPM-AWQFTUOYSA-N 396.335 1.618 50 1 GDGF O=C1C=C/C(=C/NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C=C1O 38172997 UYBVMAIWNMTRRE-SEYXRHQNSA-N 389.433 1.170 50 3 GDGF C[C@]12C[C@H](c3ccccc3O1)[C@@H](/C(N)=N/NC(=O)c1ccc(F)cc1)C(=O)N2 15973824 AICFEIXZPKABPO-PTSWNOGYSA-N 382.395 1.856 50 1 GDGF C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H]1OC 2356391449 WQCKGEIRROZIBA-XDNAFOTISA-N 376.405 1.425 50 1 GDGF O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(F)cc21)c1ccc(O)cc1 71333869 MOTJORAIGHZJRY-PYCFMQQDSA-N 398.394 1.302 50 1 GDGF CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)OCCO2 96926994 KNOKYYDUGXZYDQ-KRWDZBQOSA-N 394.431 1.585 50 1 GDGF CCOC(=O)/C(C#N)=C1\SC(C(C)=O)=NN1c1ccc(S(N)(=O)=O)cc1 103230495 PCLCSZFYIFWOIW-OWBHPGMISA-N 394.434 1.088 50 1 GDGF O=C(NNCCO)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1 35001637 FDRUBMNDGNJOTQ-UHFFFAOYSA-N 393.852 1.881 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)C[C@@H](OC(=O)C(=CC)CO)[C@H]12 2356654707 HJCDUXVYKZXOOB-KZNAEPCWSA-N 376.405 1.163 50 1 GDGF C=C1C[C@H](OC(=O)/C=C\C)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CCl 238776381 DEOAEBOOLNZVLW-KKOQTXPLSA-N 382.840 1.499 50 1 GDGF C/C(CC(=O)NCCCN1CCOCC1)=N/NC(=O)COc1ccc(C)cc1 13142834 POCGKNPEHPUDJL-XLNRJJMWSA-N 390.484 1.095 50 1 GDGF C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)CC(C)C)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@@H]23 238732381 VZDQQSIOBHVJOY-SKAVYJKCSA-N 378.421 1.842 50 1 GDGF C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(O)=C/CO)C=C(C)[C@]1(OO)CC=C(C)[C@H]21 238770658 WSRFTQCEQNYNFO-PXUUQBERSA-N 378.377 1.585 50 1 GDGF COc1ccc(CCc2cc(=O)c3c(o2)[C@@H](Cl)[C@H](O)[C@H](O)[C@H]3O)cc1O 238788365 VDGFKYPRROFDLY-LUKYLMHMSA-N 382.796 1.188 50 1 GDGF C=CCN(N=O)C(=O)NCCCC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 5663210 NYJRGGMIIZJDLE-QGZVFWFLSA-N 389.456 1.857 50 1 GDGF C=C(C)C(=O)O[C@@H]1C(C=O)=CCCC(CO)=C[C@@H]2OC(=O)C(=C)[C@H]2[C@H]1OC 2356747687 QCTMSISXUVDOLP-BSDSXHPESA-N 376.405 1.425 50 1 GDGF CC(=O)NNC[C@H]1CN(c2ccc(OCCN3CCCCC3)cc2)C(=O)O1 27414531 DJYFDYWFTIXZJH-SFHVURJKSA-N 376.457 1.517 50 1 GDGF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](NNC(N)=O)[C@@H]2C)OCO4)c1O 105521067 JAONDLJNKHLARC-MTHQLEKQSA-N 387.392 1.789 50 3 GDGF COc1cc(/C=N/NC(=O)CN2C(=O)c3ccccc3C2=O)cc(OC)c1OC 96930176 JDKZTXHLVYONAM-UFFVCSGVSA-N 397.387 1.459 50 1 GDGF CCS(=O)(=O)OCCN(C)[P@@]1(=O)OCC[C@@H](OO)N1CCCl 169319564 UBYPXTQKOXHFRP-LADRHHBVSA-N 380.787 1.169 50 1 GDGF C=C(C)C(=O)O[C@@H]1C(C=O)=CCCC(CO)=C[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H]1OC 2356747688 QCTMSISXUVDOLP-FJIDUMEYSA-N 376.405 1.425 50 1 GDGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963015989 BHHLTRIJPNGDBJ-ABCOOTEDSA-N 376.840 1.695 50 1 GDGF Cc1cc(O)cc(O)c1C(=O)O[C@@]1(C)C(=O)C=C2C=C(C=CC=O)OC=C2C1=O 2356509524 SAZKXUITORBGED-NRFANRHFSA-N 396.351 1.953 50 1 GDGF O[C@@H]1[C@H](CCl)O[C@H](n2cnc3c(N[C@H]4C[C@@H]5CC[C@@H]4C5)ncnc32)[C@@H]1O 100681024 PVJGDYDNVNCGBT-CHKYXTOZSA-N 379.848 1.285 50 1 GDGF Cc1ccc([C@@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2cccnc2)cc1 195288940 MLOQLTQHVGQBKI-MOPGFXCFSA-N 397.284 1.794 50 1 GDGF CC(=O)NNC1=NN(C(C)=O)[C@@]2(S1)C(=O)Nc1ccc(Br)cc12 5602317 PKKSXWANCRIZKT-ZDUSSCGKSA-N 398.242 1.061 50 1 GDGF CN(Cc1ccc(B(O)O)cc1)c1ccc(C(=O)Nc2ccc(F)cc2)cn1 200186082 XUGBIDQBQPMTPV-UHFFFAOYSA-N 379.200 1.789 50 1 GDGF C/C(=N\NC(N)=O)c1ccc2ncc([C@@H](O)c3ccc4ncccc4c3)n2n1 96169130 ODNOCEBSNHDUMR-RIDKEVFESA-N 375.392 1.752 50 1 GDGF Cc1nn(CC(=O)NN)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587885180 BWSXLAWKCQKVTJ-UHFFFAOYSA-N 394.262 1.199 50 1 GDGF NC(=O)CNC(=O)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621477321 CQJHUQKBGQLFJB-ZVUGDHRMSA-N 380.441 1.968 50 1 GDGF C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccnc1 20755486 OBUTWRFMOZAIAR-XSFVSMFZSA-N 388.449 1.257 50 1 GDGF C=C1C[C@H](OC(=O)C(C)C)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CCl 13386687 KGPJQIMZHZMIFB-URUZQALBSA-N 384.856 1.579 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)[C@H](C)CC)[C@@H](O)[C@H]12 2356671157 PIWVBLJALGNALB-HJUANSTKSA-N 378.421 1.241 50 1 GDGF CC(C)C[C@H](NC(=O)[C@@H](NC1=CC(=O)c2ccccc2C1=O)C(C)C)B(O)O 1772642878 NEYPJBDADDIKSD-ROUUACIJSA-N 386.257 1.107 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C=C(C)C)C[C@](C)(O)[C@@]13CC[C@@](C)(OO1)[C@H]23 2356713880 UZTVRQCUOHSNPN-LBRVOCHQSA-N 378.421 1.986 50 1 GDGF O=C1C=CC([N+](=O)[O-])=C/C1=C\NNC(=O)C(O)(c1ccccc1)c1ccccc1 13123175 BQBDNZJDOJGBHP-CCEZHUSRSA-N 391.383 1.727 50 3 GDGF C[C@@H]1CC(=O)C2=C(C1)[C@H](Cl)[C@H](O)[C@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O 2356643917 LYWPTXLFCTXKBJ-AQMBHLMGSA-N 378.808 1.247 50 1 GDGF CC[C@@H](NC1=C(N=C2C=CC=C(C#N)C2=O)N[S@@](=O)N1)c1cc(C)c(C)o1 2356705113 VSMDVDYFVQVZLC-QWVSSGJLSA-N 385.449 1.865 50 1 GDGF CN(C)CCCOc1ccc(/C=N/NC(=O)c2ccc(C(=O)NO)cc2)cc1 95809298 BBCJJDRPDVBUHT-KGENOOAVSA-N 384.436 1.900 50 1 GDGF C[C@@H](Oc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1)C(=O)NN 962904963 WGAZOTLSHJGCRQ-BFKBOQTRSA-N 387.411 1.445 50 1 GDGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O 195514553 CJOSHSDHCPNMOJ-XDYICZGBSA-N 381.509 1.050 50 1 GDGF CN1C(=O)C(C2=NN(C(=O)CCl)[C@@H](c3ccccc3)C2)C(=O)N(C)C1=O 169691100 IPILMLRKTJYTKJ-GFCCVEGCSA-N 376.800 1.221 50 1 GDGF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(C(=O)NN)cc3[nH]2)cc1 586927652 WJOUKJMRMMDSAY-UHFFFAOYSA-N 386.433 1.385 50 1 GDGF C[C@@]12CC(=O)[C@H](CC(=O)C[C@@H]3C[C@@H](O[C@@]3(C)CCl)[C@@]34O[C@@H]3[C@@H](C1)OC4=O)O2 199134390 ADSJDZADTCOKBY-YFQWHVQYSA-N 398.839 1.322 50 1 GDGF C=C(C(=O)NCc1cccc(B(O)O)c1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 1857549519 VIXYYWNSKHRLNL-IRWQIABSSA-N 381.281 1.881 50 1 GDGF O[C@@H]1[C@@H](CCl)O[C@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)ncnc32)[C@@H]1O 49113025 PVJGDYDNVNCGBT-VORCPNMZSA-N 379.848 1.285 50 1 GDGF CC1=NNC(=O)[C@@H]1[C@@H]1C(=O)NN=C(c2c[nH]c3ccccc23)[C@H]1Br 102957751 CTXDHXWHBFPWLD-AVGNSLFASA-N 388.225 1.503 50 1 GDGF C=CCC1=CC=C/C(=C\NNC(=O)COc2ccc(-n3cnnn3)cc2)C1=O 15837255 OLJMVTOINATLEW-RVDMUPIBSA-N 378.392 1.187 50 3 GDGF O=C(NNS(=O)(=O)c1ccccc1F)c1cc(F)cc(-n2nccn2)c1 1857581990 KSEFUXHSWZTOQE-UHFFFAOYSA-N 379.348 1.169 50 1 GDGF CN1C(=O)/C(=N\NC(=O)COc2ccc3ccc(=O)oc3c2)c2ccccc21 1857604194 RCVDWKOWEDWLLF-QOCHGBHMSA-N 377.356 1.669 50 1 GDGF C[C@@]12CC(=O)[C@@H](CC(=O)C[C@H]3C[C@@H](O[C@@]3(C)CCl)[C@@]34O[C@H]3[C@@H](C1)OC4=O)O2 2356610861 ADSJDZADTCOKBY-VBFRCCFISA-N 398.839 1.322 50 1 GDGF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(C(=O)NN)cc2[nH]1 587193507 CFARBZCMHDSPAM-CYBMUJFWSA-N 376.461 1.684 50 1 GDGF N#CC1=C(CC(=O)NCc2cc(Cl)ccc2-n2cnnn2)N(O)C(=N)CC1 169721818 HLJXDBUOROMXKJ-UHFFFAOYSA-N 386.803 1.562 50 1 GDGF C=C(C)C(=O)O[C@@H]1C=C(C=O)[C@H](OCC)CCC(=C)[C@H](O)[C@@H]2OC(=O)C(=C)[C@H]12 2356635864 MVHWAMDNVFDMJV-IEWDOMPSSA-N 390.432 1.813 50 1 GDGF Cc1c(O)ccc2c1[C@](C)(c1ccc(O[C@@H](C)C(=O)NN)cc1)N[C@H](C(=O)O)C2 963492088 QDEJAIOUWDDTSH-SAZGQGMLSA-N 399.447 1.320 50 1 GDGF COc1ccc(Cn2cc(C(=O)NN=C3C(=O)Nc4c(F)cccc43)nn2)cc1 1857538842 RPRURDGMJBSGDR-UHFFFAOYSA-N 394.366 1.560 50 1 GDGF C/C(=N\NC(N)=O)c1ccc2ncc([C@](C)(O)c3ccc4ncccc4c3)n2n1 96169139 SPFLACRPPJLOOJ-BLTFUYFMSA-N 389.419 1.926 50 1 GDGF CC(=O)NNC1=NN(C(C)=O)[C@]2(S1)C(=O)Nc1ccc(Br)cc12 1857191 PKKSXWANCRIZKT-CYBMUJFWSA-N 398.242 1.061 50 1 GDGF COC1=C[C@@H]2C=C(C[C@]3(C(Cl)Cl)C[C@H](O)C(=O)O3)OC(=O)[C@@H]2C(O)=C1 2356747755 VGDCFUPJKMVWMA-RXJAKJSKSA-N 391.203 1.886 50 1 GDGF NNC(=O)c1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 587164386 UNEYVTAUOJHZMT-UHFFFAOYSA-N 380.383 1.584 50 1 GDGF O=C(NNC(=O)c1ccncc1)C(=O)c1ccccc1NC(=O)c1ccccc1 1857639217 DUOCMEYRAFXWPY-UHFFFAOYSA-N 388.383 1.978 50 1 GDGF CC[C@H](NC1=C(N=C2C=CC=C(C#N)C2=O)N[S@](=O)N1)c1cc(C)c(C)o1 2356705111 VSMDVDYFVQVZLC-JGTBNHKDSA-N 385.449 1.865 50 1 GDGF Nc1nonc1-n1nnc(C(=O)N/N=C\c2cccs2)c1-c1ccccc1 33658184 JCTPJYZESAMIGH-NVMNQCDNSA-N 380.393 1.725 50 1 GDGF C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H]1OCC 299833156 JSCXGQXFCTYXGO-MTYXIODVSA-N 390.432 1.815 50 1 GDGF CCCCOc1c(NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(=O)c1=O 169326146 CXBAVCMYADXHMU-LBPRGKRZSA-N 397.472 1.844 50 1 GDGF CCO[C@]1(OC)C(Br)=C[C@]2(O)CC(=O)O[C@@H]2[C@H]1Br 2356416965 METYCVPWPKHKRD-CHWFTXMASA-N 386.036 1.468 50 1 GDGF C=C1CC[C@H](O)[C@]2(C)C=CC(=O)[C@H](C)[C@@H]2[C@H](O)[C@]2(O)[C@H](C)C(=O)O[C@H]2[C@@H]1Cl 2356790536 FRUVMLCGTZBETH-LMGQADJUSA-N 398.883 1.356 50 1 GDGF C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)/C(C)=C/C)C[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23 1857635505 OPFLLZPIXLWOST-XSEQFGMQSA-N 376.405 1.762 50 1 GDGF Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N2CC(C)(C)CNC2=C1[N+](=O)[O-] 653689388 DJOQLHNWCQJWEC-IBGZPJMESA-N 380.408 1.270 50 1 GDGF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(C(=O)NN)cc3[nH]2)cc1 586940740 DXERAJRYCFVQGB-HJWRWDBZSA-N 385.449 1.565 50 1 GDGF COc1ccc(/C=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)cc1 1857643901 HIMDOLBBLOGHGN-YBFXNURJSA-N 387.417 1.706 50 1 GDGF CC(C)CSC[C@@H](N)[C@H](O)C(=O)NNC(=O)c1ccc2ccccc2c1 27991623 ISPHLQBCHRHUHV-SJORKVTESA-N 375.494 1.678 50 1 GDGF Cc1csc([C@](O)(Cc2nc3ccc(C(=O)NN)cc3[nH]2)C(F)(F)F)n1 587094969 XFXGLWPLDOMAII-CQSZACIVSA-N 385.371 1.924 50 1 GDGF O[C@@H]1[C@@H](CCl)O[C@H](n2cnc3c(N[C@@H]4C[C@@H]5CC[C@@H]4C5)ncnc32)[C@@H]1O 101478205 PVJGDYDNVNCGBT-DBZLPJMXSA-N 379.848 1.285 50 1 GDGF CC1=NNC(=O)[C@H]1[C@@H]1C(=O)NN=C(c2c[nH]c3ccccc23)[C@@H]1Br 195497974 CTXDHXWHBFPWLD-FRRDWIJNSA-N 388.225 1.503 50 1 GDGF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(C(=O)NN)cc3[nH]2)s1 587023786 IWQFRDZXCRJDLU-UHFFFAOYSA-N 389.441 1.956 50 1 GDGF NNC(=O)c1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 587127232 QCBYYFFNSPJXQY-UHFFFAOYSA-N 385.327 1.522 50 1 GDGF CC=C(C)C(=O)O[C@@H]1C(=O)[C@]2(C)O[C@@H]2C[C@@H]1[C@]1(C(=O)C=CC(C)(C)OO)CO1 2356654629 FFSZFSPHSRVERO-FDQVYELESA-N 394.420 1.773 50 1 GDGF COc1ccc(C(=O)N[C@H](C(=O)N/N=C/c2ccc(Cl)cc2)[C@H](C)O)cc1 45338311 TTXRXRZXODGFGT-SJASNNCYSA-N 389.839 1.978 50 1 GDGF C[C@H](C(=O)NN)n1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 587885928 XDLMMRJVUJSOHI-LLVKDONJSA-N 394.262 1.451 50 1 GDGF OB(O)c1cc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)co1 962952461 IGSRSFKSZCENLQ-INIZCTEOSA-N 381.159 1.719 50 1 GDGF COC1=CC(=CNNC(=O)C(=O)Nc2cccc(Cl)c2)C=C(OC)C1=O 17129550 ONBCKHYTPQOYPK-UHFFFAOYSA-N 377.784 1.427 50 3 GDGF O=C1O[C@](Cc2cc3cc(O)cc(O)c3c(=O)o2)(C(Cl)Cl)C[C@H]1O 2356456253 WLSIGSTXXIHFIZ-BMIGLBTASA-N 375.160 1.597 50 1 GDGF C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@@](C)(O)[C@]13C=C[C@](C)(OO1)[C@H]23 238744781 RETIODDHEFBATD-IDFGEMQRSA-N 376.405 1.762 50 1 GDGF COC1CCN(Cc2ccc(CNCCN3CCNC3=C(C#N)C#N)o2)CC1 38424815 NGWKZUQYBMYUKU-UHFFFAOYSA-N 384.484 1.144 50 1 GDGF C=C1C[C@H](OC(=O)/C(C)=C\C)[C@@H]2[C@H](OC(=O)[C@@H]2C)[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CCl 238776469 ZHTAPHUCILGZBM-IUHOYHNISA-N 398.883 1.969 50 1 GDGF CC1=C(C=O)C[C@H](C)[C@@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2 96086078 GAPHEKNEWIGEDS-XLXFBXHYSA-N 382.497 1.951 50 1 GDGF CCOC(=O)[C@@H](Cl)[C@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419742 YVTOOUMNNJSZFB-PZDGAKPMSA-N 382.796 1.915 50 1 GDGF Cc1ccc2c(c1)C(=NNC(=O)COc1ccc3ccc(=O)oc3c1)C(=O)N2 1857533597 GWKSOXGHMJEYHY-UHFFFAOYSA-N 377.356 1.953 50 1 GDGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)[C@H]1COCCO1 1857552921 ULSZIELRWINQBS-VLUPQXHSSA-N 379.800 1.864 50 1 GDGF O=C(c1ccc2nc(/C=C\CBr)[nH]c2c1)N1CCN(CCO)CC1 586974671 YEGICLKUIZNMRU-UPHRSURJSA-N 393.285 1.721 50 1 GDGF C=C(C(=O)C=CC(C)(C)OO)[C@@H]1C[C@H](O)[C@@](C)(O)C(=O)[C@H]1OC(=O)CC(C)C 2356589056 QTXRYOLCFIXJOO-NUADTHGBSA-N 398.452 1.595 50 1 GDGF C=C1C(=O)O[C@H]2[C@@H](OC(=O)/C(C)=C\C)[C@@](C)([C@H]3CO3)[C@H](C(=C)C=O)[C@H](O)[C@@H]12 238778069 NXPOIAZRKHEBBW-SKGADCSASA-N 376.405 1.113 50 1 GDGF CS(=O)(=O)c1cc([N+](=O)[O-])c(C(N)=O)cc1N(CCCl)CCCl 5550497 OXTXZRYNFTYIKL-UHFFFAOYSA-N 384.241 1.381 50 1 GDGF Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)[C@@H]1COc2ccccc2O1 169691081 LKOXGENSQWFWJU-NIQDBXHUSA-N 378.388 1.764 50 1 GDGF Cc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)Cn2nnnc2-c2ccccc2)cc1 1857588754 DPFICSACTUXDDI-IRXDYDNUSA-N 396.838 1.871 50 1 GDGF NNC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 587134644 SNZTWPUTVQWRFR-UHFFFAOYSA-N 399.354 1.062 50 1 GDGF Cn1ccnc1SC[C@]1(C)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(=O)O 26378156 FEKDJDOMDQNFAM-GUKKNSHRSA-N 392.300 1.403 50 1 GDGF CCOc1ccc(/C=N/NC(=O)Cn2nnnc2-c2ccc3c(c2)OCO3)cc1 103225661 BPXHITBKTNVDNT-KEBDBYFISA-N 394.391 1.618 50 1 GDGF CC(C)CC(=O)O[C@@H]1C(=O)[C@@]2(C)O[C@H]2C[C@H]1[C@]1(C(=O)/C=C/C(C)(C)OO)CO1 238777634 BHBBEGXGAAULIM-PIXPEHBASA-N 396.436 1.853 50 1 GDGF CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)C1(c2ccccc2)CC1)B(O)O 1857619680 UDDHMVDDHBIQFF-QZTJIDSGSA-N 388.317 1.792 50 1 GDGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCl)c1c(O)nc(=O)n(C)c1N 963630086 BKWGFWLSRSQKTJ-DYBLOJMWSA-N 394.859 1.102 50 1 GDGF C=C1C(=O)O[C@@H]2[C@H]1C[C@H](O)[C@@](C)(OC(=O)/C(C)=C/C)[C@]13C=C[C@](C)(OO1)[C@@H]23 100783180 UMHHYRUGXILZJB-JXXQKMBFSA-N 376.405 1.762 50 1 GDGF endogenous,in-man O[C@H]1[C@H](O)[C@H](CCl)O[C@@H]1n1cnc2c(N[C@H]3C[C@@H]4CC[C@@H]3C4)ncnc21 100681034 PVJGDYDNVNCGBT-VVIBDSRPSA-N 379.848 1.285 50 1 GDGF C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@](C)(O)[C@]13C=C[C@](C)(OO1)[C@H]23 238774990 RETIODDHEFBATD-AXSLEILASA-N 376.405 1.762 50 1 GDGF C/C(CC(=O)c1ccccc1)=N\[C@@H]1C(C#N)=C2CCCN2[C@]1(O)N1CCOCC1 103174984 MOJUUSOKNFOBBM-MSURWQBHSA-N 394.475 1.954 50 1 GDGF COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)c2cc(C)nc3ccccc23)C1=O 13125665 GJQHDTWGRRXNIE-ZRDIBKRKSA-N 380.360 1.935 50 3 GDGF Cc1ccccc1C(=O)NCC(=O)NNC(=S)NC(=O)c1ccccc1C 6996429 AMTBDOUZBFTKHM-UHFFFAOYSA-N 384.461 1.369 50 3 GDGF C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCSSCCN(C)C 618008409 FSQHSLARCKKXOA-ZDUSSCGKSA-N 391.584 1.413 50 1 GDGF N[C@](CCCCB(O)O)(C(=O)O)C1CCN(Cc2ccc(Cl)cc2)CC1 170188854 GCGHKHBJSWJMRB-SFHVURJKSA-N 382.697 1.977 50 1 GDGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](OC)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 106611690 LOFBWESEBFUNJU-VESHPZBVSA-N 392.448 1.895 50 1 GDGF COC(=O)C(C(=O)OC)c1cc(OC)n(-c2ccnc(CCl)n2)c1OC 587941653 WVLULTCMVVNIRR-UHFFFAOYSA-N 383.788 1.453 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)C[C@@H](OC(=O)C(=CC)CO)[C@@H]12 2356654706 HJCDUXVYKZXOOB-KURKYZTESA-N 376.405 1.163 50 1 GDGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@@H](OC)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 238782394 LOFBWESEBFUNJU-CGFBDITFSA-N 392.448 1.895 50 1 GDGF Cc1ncc(C=O)c(CNNC(=O)c2cc(Br)ccc2O)c1O 169688894 SXTQEUVARZTFKR-UHFFFAOYSA-N 380.198 1.811 50 1 GDGF COC1=CC(=O)[C@]2(C1)[C@H](Cl)C[C@@]13C(OC)=C(OC)C(=O)C(=O)[C@@]12CCN3C 2356642724 SAJAPJKVDJRETQ-MDUGCROMSA-N 395.839 1.204 50 1 GDGF CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1(C)C 84653486 MJWZNSPFIRBVMY-SFHVURJKSA-N 379.413 1.380 50 1 GDGF NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)cc1 1857588945 KPJLZOPCLZLQFJ-UHFFFAOYSA-N 388.232 1.716 50 1 GDGF CC1=CC(=O)O[C@@H]2CC[N@+]3(CCl)CC[C@H](COC(=O)[C@](C)(O)[C@H](C)C1)[C@@H]23 2356320179 LGHRCDVEZVROEB-APVMAOEJSA-N 386.896 1.984 50 1 GDGF C=C(C(=O)C=CC(C)(C)OO)[C@@H]1C[C@H](O)[C@](C)(O)C(=O)[C@@H]1OC(=O)CC(C)C 2356589057 QTXRYOLCFIXJOO-UXYNSRGZSA-N 398.452 1.595 50 1 GDGF C/C=C(\C)C(=O)O[C@H]1C[C@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12 238779283 KDARIUDGXONUBS-NLJORAOSSA-N 378.421 1.842 50 1 GDGF C=C(C(=O)NCc1ccc(B(O)O)cc1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 1857543294 CTZZGNKTIFWFLO-IRWQIABSSA-N 381.281 1.881 50 1 GDGF CC(C)C[C@H](NC(=O)C1(c2ccccc2)CC1)C(=O)N[C@@H](CC(C)C)B(O)O 1857619681 UDDHMVDDHBIQFF-ROUUACIJSA-N 388.317 1.792 50 1 GDGF CC(C)C[C@H](NC(=O)CNC(=O)Nc1cc(Cl)ccc1Cl)B(O)O 1772625388 LYYBSOLFLNRTJR-LBPRGKRZSA-N 376.049 1.658 50 1 GDGF C=C1C[C@H](O)[C@H]2[C@@](C)(CO)C[C@H](O)C[C@]2(C)[C@]12CC[C@]1(COC(=O)C1)OO2 238767981 QTTVMNCLQMYBFN-FLLFRLODSA-N 382.453 1.250 50 1 GDGF CCN(CCCl)[P@]1(=O)OCC[C@H](OO)N1CCOS(C)(=O)=O 299847031 QASKVMAKQLORSY-CWKPULSASA-N 380.787 1.169 50 1 GDGF Cc1cc(B(O)O)cc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1F 962731793 UPDPACZRVVVYGP-HOCLYGCPSA-N 381.134 1.549 50 1 GDGF C=C1C(=O)O[C@H]2[C@@H](O)[C@@](C)([C@H]3CO3)[C@H](C(=C)C=O)[C@H](OC(=O)/C(C)=C\C)[C@@H]12 238774161 KHETWGVZAJUMQY-SKGADCSASA-N 376.405 1.113 50 1 GDGF Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N\NC(=O)[C@@H]1COc2ccccc2O1 169325490 LKOXGENSQWFWJU-DUQUIBLKSA-N 378.388 1.764 50 1 GDGF CCOC(=O)[C@@H](C(=O)O)N1C=CCC(C(=O)N/N=C/c2ccc(OC)cc2)=C1 100086992 KOZGLTAKYZICEA-MBTVCVBTSA-N 387.392 1.265 50 1 GDGF Cc1ccccc1-n1c(C)nc2c(OCC(=O)NNC(N)=O)cccc2c1=O 73239830 BBGYHCODWNJTHE-UHFFFAOYSA-N 381.392 1.081 50 1 GDGF CC(C)(C)[C@@]12C[C@H]3OC(=O)[C@@]4(C[C@@H](Cl)[C@H](Cl)[C@@]34[C@@]13COC(=O)[C@H]3O)O2 103106276 DKVQUUKNXRIAEI-ZKCOHGCUSA-N 391.247 1.378 50 1 GDGF CCN(CC(=O)N1CCCCCC1)C[C@@H]1NC(=O)[C@@H]2CC[C@@H](Cl)C[C@H]2N1 618012631 PTEWYWRDXGWARH-VQHPVUNQSA-N 384.952 1.533 50 1 GDGF COc1c2nc(CCl)n(C)c(=O)c2c(OC)c2c(=O)n(C)c(CCl)nc12 1645814 VKSJJUUHXCNOMO-UHFFFAOYSA-N 399.234 1.675 50 1 GDGF CC1=NNC(=O)[C@@H]1[C@H]1C(=O)NN=C(c2c[nH]c3ccccc23)[C@H]1Br 102957747 CTXDHXWHBFPWLD-XQQFMLRXSA-N 388.225 1.503 50 1 GDGF C=C(C)C(=O)O[C@@H]1[C@H](OC)C(C=O)=CCCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@H]21 2356460179 LQWAJKFPTTWLRD-WKULXVSPSA-N 376.405 1.423 50 1 GDGF Cn1cccc1-c1cc(C(=O)NN/C=C2\C=C(Br)C=CC2=O)[nH]n1 15885159 QGYFOEQYFKYKAM-MDZDMXLPSA-N 388.225 1.951 50 3 GDGF COc1ccc(NC(C)=O)c(C(F)(F)C(=O)NNC(=O)c2ccncc2)c1 1857759511 QCRWZRWZFRCVGL-UHFFFAOYSA-N 378.335 1.602 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1C[C@H](OC(=O)C(C)=CC)[C@](C)(O)[C@]1(OO)C=C[C@@](C)(O)[C@@H]21 2356690340 TXADFCZCUCIAJZ-WLKSBDNNSA-N 394.420 1.282 50 1 GDGF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(C(=O)NN)cc2[nH]1 587193508 CFARBZCMHDSPAM-ZDUSSCGKSA-N 376.461 1.684 50 1 GDGF N#Cc1cc(CC(=O)N/N=C2\C(=O)Nc3ccc(C(=O)O)c(Cl)c32)ccc1O 72181720 PDNLFYVXTYAZSC-UHFFFAOYSA-N 398.762 1.631 50 1 GDGF NNC(=O)C1=NO[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 40917842 MEDKDINGYXXOSJ-FQEVSTJZSA-N 379.464 1.816 50 1 GDGF CCn1cc(C(=O)NN=c2[nH]c3ccccc3[nH]c2=O)c(=O)c2ccc(C)nc21 473099453 FUGIBXMLUINHSS-UHFFFAOYSA-N 390.403 1.140 50 1 GDGF O=C1C=CC(=CNNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)C=C1 13548972 ZNFUTXUQOHHLIT-UHFFFAOYSA-N 381.417 1.533 50 3 GDGF O=C([C@@H]1Cc2ccccc2[C@@]2(CCCc3ccc(B(O)O)cc32)N1)C(F)(F)F 962761914 ICIACTLXQLRNBT-PKOBYXMFSA-N 389.182 1.592 50 1 GDGF C[C@@H]1CC(=O)C2=C(C1)[C@H](Cl)[C@H](O)[C@@]1(O)[C@@H](O)c3c(O)cccc3C(=O)[C@H]21 2356643920 LYWPTXLFCTXKBJ-UYKIPBTDSA-N 378.808 1.247 50 1 GDGF CC(C)(C)[C@@]12C[C@H]3OC(=O)[C@@]4(C[C@@H](Cl)[C@H](Cl)[C@@]34[C@]13COC(=O)[C@H]3O)O2 103106286 DKVQUUKNXRIAEI-RHYPDFBWSA-N 391.247 1.378 50 1 GDGF Nc1nc2ncn(Cc3cccc(NC(=O)CBr)c3)c2c(=O)[nH]1 27185280 QSXZHKYJIPWVCU-UHFFFAOYSA-N 377.202 1.084 50 1 GDGF CN(C)c1ccc(/C=N/[C@H]2C(C#N)=C3CCCN3[C@@]2(O)N2CCOCC2)cc1 169306030 YCOTUOBHDZUKJJ-MCGPVJOFSA-N 381.480 1.405 50 1 GDGF CN(C)[N+](=O)NOc1cc(OC(=O)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 377803810 KXFDGCAVNSNGGT-UHFFFAOYSA-N 392.304 1.776 50 1 GDGF CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1 5459313 INCLZWDOJXSFHU-ZYHUDNBSSA-N 379.196 1.870 50 1 GDGF COC1=CC(=O)[C@@]2(C1)[C@@H](Cl)C[C@]13C(OC)=C(OC)C(=O)C(=O)[C@]21CCN3C 238750317 SAJAPJKVDJRETQ-NUUCUBOJSA-N 395.839 1.204 50 1 GDGF CC(=O)OC/C=C/C[C@@]1(C(=O)OCc2ccccc2)/C(=C/C=O)O[C@@H]2CC(=O)N21 1772657622 BGQRDDSRQMAZIR-RJEFFBLNSA-N 399.399 1.649 50 1 GDGF O=C(O[C@H]1C[C@H]2[C@@H]3O[C@@H]3[C@@H](C1)N2CBr)[C@@H](CO)c1ccccc1 238745242 WRLNTYOXEQJCFT-WGGGBPLMSA-N 382.254 1.641 50 1 GDGF C[C@@H](CBr)n1c(=O)c2ccccc2n1CC(=O)N1CCOCC1 299836199 MFQQRSMPOHNKEC-LBPRGKRZSA-N 382.258 1.618 50 1 GDGF CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)N(P(N)(N)=O)C(=O)N1 84724117 REBAZQUKWAHNIN-ZDUSSCGKSA-N 397.328 1.912 50 1 GDGF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(C(=O)NN)cc3[nH]2)cc1 587227948 BUPHFRMTOQAKTJ-UHFFFAOYSA-N 396.407 1.665 50 1 GDGF O=C(CNc1ccc(N2CCOCC2)nc1)NNC(=S)Nc1ccccc1 98083648 SDSSQRUCOULPEP-UHFFFAOYSA-N 386.481 1.348 50 1 GDGF C=C1C[C@H](OC(=O)C(C)=CC)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@@H](O)[C@@]2(O)CCl 2356525724 ZSYKCZZWACIFPT-YLRNSDIYSA-N 396.867 1.889 50 1 GDGF C/C1=C/C(=O)O[C@@H]2CC[N+]3(CCl)CC[C@H](COC(=O)[C@](C)(O)[C@H](C)C1)[C@H]23 137925038 LGHRCDVEZVROEB-DDYGGJQXSA-N 386.896 1.984 50 1 GDGF Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnn1CC(=O)NN 587881752 ZOYBQYJHFLMFHF-UHFFFAOYSA-N 394.262 1.199 50 1 GDGF CC(C)(C)[Si](C)(C)O[C@H]1C[C@]12C(=O)N1[C@@H](C(=O)O)C(C)(C)S(=O)(=O)[C@@H]12 170047076 DLHDQLOBEVYACK-RRUOHSGJSA-N 389.546 1.595 50 1 GDGF CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@@H]2OC(=O)[C@@H](C)[C@H]12 2356421371 HJZVZKYDRKLUIF-BCVMEFPPSA-N 380.437 1.922 50 1 GDGF COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)/C(=N\NC(C)=O)c2ccccc21 102580909 GNUNQIQUUMPTOZ-OSEFQUDUSA-N 395.371 1.760 50 3 GDGF Cc1ncsc1C(=O)N1CCC(C(=O)NCCSSCCN)CC1 618007638 IZPJSHMJZXLRMK-UHFFFAOYSA-N 388.584 1.760 50 1 GDGF CN(C)CCSSCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 618008506 HSGJSZSTHSHHSZ-UHFFFAOYSA-N 377.557 1.731 50 1 GDGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc(N(C)C=O)cc1 618007686 FBPAVELYXKWSMR-HNNXBMFYSA-N 399.538 1.494 50 1 GDGF CCOC1=C/C(=C/NNC(=O)COc2nc(C)cc(COC)c2C#N)C=CC1=O 15974032 MJWSPJHXBZINFR-GXDHUFHOSA-N 398.419 1.351 50 3 GDGF N#Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 5505924 QCTVJOKCWFBFLJ-KGENOOAVSA-N 398.444 1.343 50 3 GDGF CCN(CC)Cc1nc(C2(NC(=O)[C@H]3CC(=O)N[C@@H](Cl)C3)CCCC2)no1 618015030 QPUFZHYMDUDAJP-CHWSQXEVSA-N 397.907 1.888 50 1 GDGF CC[C@@]1(c2ccc(B(O)O)cc2)c2cc(OC)ccc2CCN1CCCOC 961326132 QXTDENFKXSZTON-JOCHJYFZSA-N 383.297 1.923 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23 2356763625 OPFLLZPIXLWOST-JVAXSNDZSA-N 376.405 1.762 50 1 GDGF C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23 238737066 RETIODDHEFBATD-ISOVPUPJSA-N 376.405 1.762 50 1 GDGF CCCC[C@@]1(c2ccc(B(O)O)c(C)c2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963469756 KIFYJNDBWUCCDP-UGKGYDQZSA-N 397.280 1.722 50 1 GDGF O[C@H]1[C@H](O)[C@H](n2cnc3c(N[C@@H]4C[C@@H]5CC[C@@H]4C5)ncnc32)O[C@H]1CCl 100680986 PVJGDYDNVNCGBT-BVUQIVSISA-N 379.848 1.285 50 1 GDGF C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCSSCCN(C)C 618008408 FSQHSLARCKKXOA-CYBMUJFWSA-N 391.584 1.413 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)CC=C(C)O)C=C(C=O)CCC[C@]1(CO1)[C@H]2O 2356481303 KURZDPLIQTTXNZ-RFSOPEBBSA-N 392.404 1.287 50 1 GDGF C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/CO)CC/C=C(/C=O)[C@H]1OCC 1772611017 JSCXGQXFCTYXGO-YCVKBKJGSA-N 390.432 1.815 50 1 GDGF CN1CCN(Nc2ncnc3c2ncn3[C@H]2C[C@@H]3[C@@H](Cl)C[C@H]2[C@H]3CO)CC1 473123447 VJGUKOUQXNFAGM-YTFOTSKYSA-N 391.907 1.197 50 1 GDGF Cc1ccc(OCC(=O)NNC(=O)C2CCN(c3nccc(C)n3)CC2)cc1 4965946 WUGYIYAGIGOMAF-UHFFFAOYSA-N 383.452 1.536 50 3 GDGF C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@H]2C=C(CO)CCC=C(C=O)[C@H]1OC 2356391443 WQCKGEIRROZIBA-FJIDUMEYSA-N 376.405 1.425 50 1 GDGF COC(=O)CON=C(C(=O)O)[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417975 QUMVGKKEZYRDSE-BMLIUANNSA-N 397.767 1.050 50 1 GDGF CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3c(o2)=C=C=CC=3)c(O)c1 653838509 JDXRZXIVOQTZJY-CIAFOILYSA-N 396.472 1.354 50 1 GDGF COc1ccc(/C=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1O 40894741 SVAUMCOPAJLJMO-GIJQJNRQSA-N 389.389 1.070 50 1 GDGF C=C(C)C(=O)O[C@@H]1C=C(C=O)[C@H](OC)CCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@H]21 2356294084 JYJDQGQWAQKPAO-ZBRFXRBCSA-N 376.405 1.423 50 1 GDGF O[C@@H]1[C@H](CCl)O[C@@H](n2cnc3c(N[C@@H]4C[C@@H]5CC[C@@H]4C5)ncnc32)[C@@H]1O 100680979 PVJGDYDNVNCGBT-HZHZBLDLSA-N 379.848 1.285 50 1 GDGF COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963017061 BHHLTRIJPNGDBJ-XVWMFJGMSA-N 376.840 1.695 50 1 GDGF CCOC(=O)[C@@H](C(=O)O)[n+]1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1 40863806 RTCLAGOLYLTBKT-OAHLLOKOSA-O 390.803 1.580 50 1 GDGF Cc1ccc2c(c1)C(=NNC(=O)NN=C1C(=O)Nc3ccc(C)cc31)C(=O)N2 653706028 QHKJYDGFGJRGEV-UHFFFAOYSA-N 376.376 1.615 50 1 GDGF CN[P@](=O)(CCl)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-] 73195887 MMCXKFDDKZPECF-XBFBEKASSA-N 392.740 1.437 50 1 GDGF N=C(N)Nc1cccc(C(=O)NNC(=O)N[C@H](CC(=O)O)c2ccccc2)c1 13558904 DRAZWXSJTKLZTP-CQSZACIVSA-N 384.396 1.152 50 1 GDGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3ccc(F)c(B(O)O)c3)N12 962667451 MZZONFGIJSILRW-RXVVDRJESA-N 394.211 1.242 50 1 GDGF O[C@@H]1[C@@H](CCl)O[C@H](n2cnc3c(N[C@@H]4C[C@@H]5CC[C@H]4C5)ncnc32)[C@@H]1O 48995369 PVJGDYDNVNCGBT-UJNNVFPOSA-N 379.848 1.285 50 1 GDGF C[C@@]1(c2csc(B(O)O)c2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962983012 YHKDHEHIOOHOBW-BMIGLBTASA-N 387.600 1.222 50 1 GDGF COc1ccc(O)c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)B(O)O)c1 1857559474 RWIGGKZXOHMKKL-DOTOQJQBSA-N 394.277 1.088 50 1 GDGF CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@]12CO2 101340120 XRACENWIFUNKDF-LPSXLJMFSA-N 398.839 1.552 50 1 GDGF O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@@H]4C[C@@H]5CC[C@H]4C5)ncnc32)[C@@H]1O 48995372 PVJGDYDNVNCGBT-LZABMDAUSA-N 379.848 1.285 50 1 GDGF CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NNc1ccccc1)C(C)C)C(C)C 64726060 PAJCSBSOJGDEBQ-XIRDDKMYSA-N 391.516 1.019 50 1 GDGF NNC(=O)c1ccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587202653 KKGBUXKLXMMIFD-OAHLLOKOSA-N 397.391 1.609 50 1 GDGF CN1C(=O)C(C2=NN(C(=O)CCl)[C@H](c3ccccc3)C2)C(=O)N(C)C1=O 169691101 IPILMLRKTJYTKJ-LBPRGKRZSA-N 376.800 1.221 50 1 GDGF C=C(C)C(=O)O[C@@H]1C=C(C=O)[C@H](OC)CCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 253685530 JYJDQGQWAQKPAO-DZVNLGKHSA-N 376.405 1.423 50 1 GDGF CC(C)[C@@]1([C@H](C)Br)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963213250 GSBCUBPZXPKMQQ-HTWFXAOOSA-N 395.301 1.802 50 1 GDGF CC(=N)/C(C#N)=C(/O)COC(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O 101467023 JQHOTAKJQTZBSO-IYKGKORQSA-N 377.422 1.291 50 1 GDGF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(C(=O)NN)cc4[nH]3)cc12 587037484 JKGXESIJDXUUQV-VIFPVBQESA-N 397.464 1.914 50 1 GDGF C[C@@H]1CC[C@H]2[C@@H](CN3C(=O)CCC3=O)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101891694 KIMYENPKAGJYKX-DTFRLOPHSA-N 379.409 1.524 50 1 GDGF NNC(=O)c1nn(-c2ccccc2)c(=O)c2c1cnn2-c1ccc(Cl)cc1 1772574811 LYLHQOHKLUIDBE-UHFFFAOYSA-N 380.795 1.828 50 1 GDGF Cc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)Cn2nnnc2-c2ccccc2)cc1 1857588752 DPFICSACTUXDDI-DLBZAZTESA-N 396.838 1.871 50 1 GDGF COc1ccc(CCc2cc(=O)c3c(o2)[C@H](Cl)[C@@H](O)[C@@H](O)[C@H]3O)cc1O 59586251 VDGFKYPRROFDLY-TWMKSMIVSA-N 382.796 1.188 50 1 GDGF biogenic,in-vitro C=C(C(=O)C=CC(C)(C)OO)[C@@H]1C[C@H](O)[C@](C)(O)C(=O)[C@H]1OC(=O)CC(C)C 2356589055 QTXRYOLCFIXJOO-GGLFYADGSA-N 398.452 1.595 50 1 GDGF Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)NN)nn1C 587879580 VHMYNVKVTKBBDE-UHFFFAOYSA-N 394.262 1.349 50 1 GDGF Cc1cc2c(cc1O)[C@](CBr)(c1cnccn1)N[C@H](C(=O)O)C2 963521021 AKTRMAHXAVXVKS-BLLLJJGKSA-N 378.226 1.728 50 1 GDGF COc1cc2c3c(c1)O[C@@]1(COC(COC(=O)CCl)=CC1=O)[C@@H](C2)C3=O 587423103 SANBPXSYOVFWEX-SGTLLEGYSA-N 378.764 1.447 50 1 GDGF C=C(C)[C@@H](NC1=C(N=C2C=CC=C(C#N)C2=O)N[S@](=O)N1)c1ccc(C)o1 2356670469 PLUHWNMLYXUZPJ-RXAIFQJESA-N 383.433 1.723 50 1 GDGF NNC(=O)c1ccc2nc(-c3nccnc3I)[nH]c2c1 587186330 HRJXSKOAWSAFSR-UHFFFAOYSA-N 380.149 1.228 50 1 GDGF Cc1ccc([C@@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2cnccn2)cc1 195267688 WXSNSXSTOXJAHD-AEFFLSMTSA-N 398.272 1.189 50 1 GDGF NCCSSCCNC(=O)C1CCN(C(=O)c2ccncc2F)CC1 618007915 USCSERCDNRHRNG-UHFFFAOYSA-N 386.518 1.529 50 1 GDGF NNC(=O)c1ccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1 587202543 JIQXYPNPQVVCOH-HNNXBMFYSA-N 397.391 1.089 50 1 GDGF O=C(CNC(=O)c1ccccc1Br)NN/C=C1\C=CC=CC1=O 13124206 XZTJLJYSCLDFHB-PKNBQFBNSA-N 376.210 1.379 50 3 GDGF O=C(Cn1nnnc1-c1ccccc1)NN1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 1857544860 NHJQHLFTPGECOF-CVEARBPZSA-N 382.811 1.562 50 1 GDGF Cc1cc(B(O)O)ccc1[C@H]1N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962645116 UMWKFZGSUNGRGN-JKSUJKDBSA-N 395.142 1.262 50 1 GDGF CC1=C(C=O)C[C@H](C)[C@]12CC[C@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O)C2 2356415269 GAPHEKNEWIGEDS-RVQLVUHNSA-N 382.497 1.951 50 1 GDGF OB(O)c1cc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)co1 962952466 IGSRSFKSZCENLQ-MRXNPFEDSA-N 381.159 1.719 50 1 GDGF CC(=O)C1=C(O)/C(=C(\C)Nc2cccc(N3C(=O)CCC3=O)c2)C(=O)OC1=O 169316799 PXDXNQAQMVQLNR-DHDCSXOGSA-N 384.344 1.510 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)[C@H](C)CC)[C@H](O)[C@@H]12 2356671158 PIWVBLJALGNALB-IKGUUIFCSA-N 378.421 1.241 50 1 GDGF C=C1C(=O)O[C@H]2[C@@H]3[C@@](OO)(C=C[C@@]3(C)O)[C@@](C)(O)[C@@H](OC(=O)C(C)=CC)C[C@H]12 2356690341 TXADFCZCUCIAJZ-YOSIWLQUSA-N 394.420 1.282 50 1 GDGF Cc1cn([C@H]2C[C@H](SSCCCCCCO)[C@@H](CO)O2)c(=O)[nH]c1=O 40423489 AIOSRTFCDZMHKC-HZSPNIEDSA-N 390.527 1.428 50 1 GDGF O=C(O[C@@H]1CSS(=O)(=O)C1)c1ccccc1I 96911554 GDOJBVZLMBFFNK-SSDOTTSWSA-N 384.216 1.893 50 1 GDGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccn(C)n1 618017668 NWTCFOSSDHMMHY-KGLIPLIRSA-N 399.586 1.929 50 1 GDGF COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)c2cncc(Br)c2)C1=O 13123046 DFYPNFYVYVCZNZ-SOFGYWHQSA-N 395.169 1.236 50 3 GDGF [C-]#[N+][C@@H](Cc1ccc(O)c(-c2cc(C[C@@H]([N+]#[C-])C(N)=O)ccc2O)c1)C(N)=O 85558595 GGZGYPHSDRAUHA-IYBDPMFKSA-N 378.388 1.396 50 1 GDGF COc1ccc(C(=O)N[C@H](C(=O)N/N=C/c2ccc(Cl)cc2)[C@@H](C)O)cc1 45338313 TTXRXRZXODGFGT-RONGGUFTSA-N 389.839 1.978 50 1 GDGF COC(=O)CON=C(C(=O)O)[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417984 QUMVGKKEZYRDSE-QGHHPUGFSA-N 397.767 1.050 50 1 GDGF CC1(C)C[N@]1P(=O)(NC(=O)NCCn1ccnc1[N+](=O)[O-])[N@@]1CC1(C)C 1857535851 GQGGNCZNIWNWFE-PMACEKPBSA-N 385.365 1.387 50 1 GDGF Cc1ccc(OC/C(=C\C=O)Nc2cc(C[C@H](N)C(=O)O)c(O)cc2O)cc1 103549492 FSNBWEOGSXUNGF-CQMBDMNQSA-N 386.404 1.934 50 1 GDGF in-vivo CN(C)c1ccc(/C=N/[C@@H]2C(C#N)=C3CCCN3[C@@]2(O)N2CCOCC2)cc1 169306029 YCOTUOBHDZUKJJ-LBYVYJTISA-N 381.480 1.405 50 1 GDGF CC(C)(C)[C@@H]1C[C@H]2OC(=O)[C@]34C[C@@H](Cl)[C@H](Cl)[C@@]23[C@@]12[C@@H](OC(=O)[C@@H]2O)O4 103041454 AHTCCGZPYMLWRO-PFBMQYGWSA-N 391.247 1.582 50 1 GDGF CC1=NN(c2ccccc2)C(=O)/C1=C/NNC(=O)[C@@H]1COc2ccccc2O1 100547243 XWPXLRVVPZUJIM-OTMARIDSSA-N 378.388 1.754 50 3 GDGF C[C@@]12CC(=O)[C@@H](CC(=O)C[C@H]3C[C@@H](O[C@@]3(C)CCl)[C@@]34O[C@@H]3[C@@H](C1)OC4=O)O2 2356610858 ADSJDZADTCOKBY-GXQPHASHSA-N 398.839 1.322 50 1 GDGF O=C(O[C@@H]1CSS(=O)(=O)C1)c1ccc(I)cc1 96911549 VZARUACPNRWOMX-SECBINFHSA-N 384.216 1.893 50 1 GDGF C=C(C)C(=O)O[C@@H]1C=C(C=O)[C@H](OCC)CCC(=C)[C@H](O)[C@@H]2OC(=O)C(=C)[C@@H]12 2356635866 MVHWAMDNVFDMJV-ZSXDVEMLSA-N 390.432 1.813 50 1 GDGF C/C(CC(=O)c1ccccc1)=N\[C@H]1C(C#N)=C2CCCN2[C@]1(O)N1CCOCC1 103174987 MOJUUSOKNFOBBM-XZBHOHHTSA-N 394.475 1.954 50 1 GDGF CC(C)(C)[C@]12C[C@H]3OC(=O)[C@@]4(C[C@@H](Cl)[C@H](Cl)[C@]34[C@@]13COC(=O)[C@@H]3O)O2 28263978 DKVQUUKNXRIAEI-NCJNURSESA-N 391.247 1.378 50 1 GDGF C[C@H]1CC(=O)C2=C(C1)[C@@H](Cl)[C@@H](O)[C@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O 31158893 LYWPTXLFCTXKBJ-OHUXKISYSA-N 378.808 1.247 50 1 GDGF C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23 238782291 RETIODDHEFBATD-HNURMNRQSA-N 376.405 1.762 50 1 GDGF CN(C)CCSSCCNC(=O)c1ccc2c(c1)NS(=O)(=O)N2C 618018228 WKMPSHLAFUBDPO-UHFFFAOYSA-N 390.556 1.466 50 1 GDGF NS(=O)(=O)c1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)ccc1Cl 40953165 YTLMMJCSPQKBQG-GIDUJCDVSA-N 388.814 1.721 50 1 GDGF O=C(NCCO)c1ccccc1SSc1ccccc1C(=O)NCCO 1996076 IGWHTAZIFNXBAZ-UHFFFAOYSA-N 392.502 1.930 50 1 GDGF CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@@H]2OC(=O)[C@@H](C)[C@@H]12 2356421374 HJZVZKYDRKLUIF-KEKSIUOJSA-N 380.437 1.922 50 1 GDGF NNC(=O)c1cc(Cl)cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)n1 587651253 GAABEQXHYQOVEY-UHFFFAOYSA-N 378.175 1.390 50 1 GDGF C=C1CC[C@H](O)[C@]2(C)C=CC(=O)[C@H](C)[C@@H]2[C@H](O)[C@]2(O)[C@H](C)C(=O)O[C@H]2[C@H]1Cl 2356790538 FRUVMLCGTZBETH-OHPVYJTFSA-N 398.883 1.356 50 1 GDGF O=C(NN=Cc1ccc(N(CCCl)CCCl)cc1)c1cc(O)nc(O)n1 254047064 SXLLQTNEITYMMY-UHFFFAOYSA-N 398.250 1.936 50 3 GDGF Cc1c(/C=N/NC(=O)c2ccncc2)[n+]([O-])c2cc(C(F)(F)F)ccc2[n+]1[O-] 102845267 LCMGFIKLMAASRE-LSFURLLWSA-N 391.309 1.593 50 1 GDGF C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)[C@H](C)CC)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23 238761292 CUOLHDCSNYOKFZ-OFTUQYQRSA-N 378.421 1.842 50 1 GDGF CN(Cc1cccc(B(O)O)c1)c1ncc(C(=O)Nc2ccc(F)cc2)cn1 472918840 PFOXYIAFXOESBJ-UHFFFAOYSA-N 380.188 1.184 50 1 GDGF O=S(=O)(c1ccc2nc(/C=C\CBr)[nH]c2c1)N1CCOCC1 586973269 HCXGZKKQJARRSE-UPHRSURJSA-N 386.271 1.992 50 1 GDGF C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2C[C@H](O)[C@](O)(CCl)[C@H]2[C@H]2OC(=C)C(=C)[C@H]12 45496073 PLRNJPRHWFZGAM-WLZZWWMSSA-N 396.867 1.458 50 1 GDGF CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@@H]2OC(=O)[C@H](C)[C@H]12 2356421372 HJZVZKYDRKLUIF-HKRLJLPRSA-N 380.437 1.922 50 1 GDGF C=C(C)C(=O)O[C@@H]1C=C(C=O)[C@H](OC)CCC(=C)[C@H](O)[C@@H]2OC(=O)C(=C)[C@H]12 2356294083 JYJDQGQWAQKPAO-HSFUPAIVSA-N 376.405 1.423 50 1 GDGF [C-]#[N+][C@@H](Cc1ccc(O)c(-c2cc(C[C@H]([N+]#[C-])C(N)=O)ccc2O)c1)C(N)=O 85549635 GGZGYPHSDRAUHA-HOTGVXAUSA-N 378.388 1.396 50 1 GDGF C=C1C[C@H](OC(=O)C(=CCO)CO)[C@@H]2C(=C)C(=O)O[C@H]2C=C(C)CC[C@@H]1OO 2356427368 XKKROPUZCIUQMV-XLAORIBOSA-N 394.420 1.452 50 1 GDGF C/C(=N\NC(N)=O)c1ccc2nnc(Cc3cc4cccnc4cc3F)n2n1 96169157 WWTQGQBYQBSKTO-LSHDLFTRSA-N 378.371 1.795 50 1 GDGF Cc1c(C)[n+]([O-])c2cc(/C=N/NC(=O)NCCc3ccccc3)ccc2[n+]1[O-] 103288578 OXLWPIKBYMPMBZ-LPYMAVHISA-N 379.420 1.599 50 1 GDGF COc1ccc(/C(C)=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 71295952 PPOISQYRWNGIPW-YBFXNURJSA-N 387.417 1.754 50 1 GDGF CC(C)(C)[Si](C)(C)O[C@@H]1/C(=C/C#N)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO 195502352 SVYVVRNFTSBWJQ-DLFPTUBASA-N 379.489 1.267 50 1 GDGF N=C(N)Nc1cccc(C(=O)NNC(=O)C[C@@H](CC(=O)O)c2ccccc2)c1 1550172 DRUNAOKZTXRPSQ-AWEZNQCLSA-N 383.408 1.402 50 1 GDGF COc1cccc(C(=O)NCC(=O)NN/C=C2\C=NN=C2c2ccccc2)c1 15953305 XLAFVZFPINKFIV-LFIBNONCSA-N 377.404 1.418 50 3 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)CC(=C)[C@@]1(OO)CC=C(C)[C@H]21 2356664548 ZFVASFTUEVIQJA-JZBZHOAESA-N 392.404 1.062 50 1 GDGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cc(F)cc(B(O)O)c2)N1 962966664 MTMKXDBHMUSRKT-IUODEOHRSA-N 385.534 1.125 50 1 GDGF O=C(O)[C@@H]1CCS[C@@H](CCO[P@@](=O)(NCCl)NCCCl)N1 1857758216 LKMPHDNUCYFGFJ-MMXNHZJYSA-N 380.234 1.621 50 1 GDGF C=C(C)[C@H](NC1=C(N=C2C=CC=C(C#N)C2=O)N[S@](=O)N1)c1ccc(C)o1 2356670468 PLUHWNMLYXUZPJ-QZXCRCNTSA-N 383.433 1.723 50 1 GDGF C=C(C(=O)/C=C/C(C)(C)OO)[C@@H]1C[C@@H](O)[C@](C)(O)C(=O)[C@H]1OC(=O)CC(C)C 238735616 QTXRYOLCFIXJOO-QAHMCSSYSA-N 398.452 1.595 50 1 GDGF O=C(NNC(=O)[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccncc1)c1ccncc1 473089128 KLKYABMWTGODJW-MSOLQXFVSA-N 387.399 1.642 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(O)=CCO)CC(=C)[C@@]1(OO)CC=C(C)[C@@H]21 2356598357 NNGGBEYEJBWSSK-TVEAVKIZSA-N 378.377 1.585 50 1 GDGF Nc1nonc1-n1nnc(C(=O)N/N=C\c2cccs2)c1-c1cccs1 33372765 DZCWNAMURCVSNJ-APSNUPSMSA-N 386.422 1.786 50 1 GDGF NCc1cccc(C2CCN(C(=O)c3cccc4ccc(B(O)O)cc34)CC2)c1 198734810 GNVCVDWHRVFTIC-UHFFFAOYSA-N 388.276 1.998 50 1 GDGF Cc1csc([C@@](O)(Cc2nc3ccc(C(=O)NN)cc3[nH]2)C(F)(F)F)n1 587094963 XFXGLWPLDOMAII-AWEZNQCLSA-N 385.371 1.924 50 1 GDGF C[C@@H](C(=O)NN)n1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 587885929 XDLMMRJVUJSOHI-NSHDSACASA-N 394.262 1.451 50 1 GDGF Cc1c(O)ccc2c1[C@](C)(c1ccc(O[C@H](C)C(=O)NN)cc1)N[C@H](C(=O)O)C2 963492086 QDEJAIOUWDDTSH-PKQAIAMASA-N 399.447 1.320 50 1 GDGF O=C(Cn1nnc(/C=C/c2ccccc2)n1)N/N=C/c1ccccc1[N+](=O)[O-] 1857584613 WSIJTMSFKPLZOG-OFAWCBBISA-N 377.364 1.902 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](C(=C)C=O)[C@](C)([C@@H]1CO1)[C@@H]2O 2356389890 KHETWGVZAJUMQY-OQBQGGJQSA-N 376.405 1.113 50 1 GDGF O=C(Cc1ccc(F)cc1)NNC(=S)NC(=O)Cc1c(F)cccc1F 217497116 LEPWLFRSQIPIJN-UHFFFAOYSA-N 381.379 1.911 50 1 GDGF CN(C)/[N+]([O-])=N/Oc1cc(OC(=O)c2cccnc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 43617521 XHVZXUWRZFPVEQ-SILNSSARSA-N 392.284 1.850 50 1 GDGF C=C1C(=O)O[C@@H]2[C@H]1C[C@H](O)[C@](C)(OC(=O)/C(C)=C/C)[C@]13C=C[C@](C)(OO1)[C@@H]23 100783178 UMHHYRUGXILZJB-SFSDXFJFSA-N 376.405 1.762 50 1 GDGF endogenous,in-man NNC(=O)c1nc(-n2ncc3ccc(Cl)cc3c2=O)c(Cl)c(N)c1Cl 587652092 VZJMILRLDIQJDQ-UHFFFAOYSA-N 399.625 1.927 50 1 GDGF COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCSSCCN(C)C 618008526 HWDLWLDZVGKAIU-LBPRGKRZSA-N 381.564 1.585 50 1 GDGF C=C(C)C(=O)O[C@@H]1/C=C(/C=O)[C@H](OC)CCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 28465408 JYJDQGQWAQKPAO-GAZMTPAUSA-N 376.405 1.423 50 1 GDGF biogenic C[C@@]12CC(=O)[C@@H](CC(=O)C[C@H]3C[C@@H](O[C@]3(C)CCl)[C@@]34O[C@H]3[C@@H](C1)OC4=O)O2 2356610860 ADSJDZADTCOKBY-QRSIBCEHSA-N 398.839 1.322 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC)[C@H](OC(=O)C(C)C)[C@H]12 2356623720 KOSNOBOYWSVACZ-ZJPYXAASSA-N 378.421 1.505 50 1 GDGF CC(=O)O[C@@H]1C=C(C=O)[C@](O)(C(=O)O)[C@@]2(C)[C@@H]1C(C)(C)CC[C@H]2OC(C)=O 2356781611 BMWBMNGRDVKNHG-HIGHGGLBSA-N 382.409 1.247 50 1 GDGF C[C@@H](Br)C(=O)Nc1ccc(Br)c(C(=O)NC(N)=O)c1 40379010 SFYHKEDXPDFFLH-RXMQYKEDSA-N 393.035 1.980 50 1 GDGF O=C(NCCBr)c1c(NCCO)cc(-c2cccs2)oc1=O 473154264 FXXQLPSIPAXXFT-UHFFFAOYSA-N 387.255 1.897 50 1 GDGF CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O 306120777 RKLRLEQKWDSJJS-XNIJJKJLSA-N 395.536 1.509 50 1 GDGF CC1(C)CNC2=C([N+](=O)[O-])[C@]3(C(=O)Nc4ccc(F)cc43)C(C#N)=C(N)N2C1 653703951 OZQJWYBNHZBRBX-GOSISDBHSA-N 384.371 1.100 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)CC(=C)[C@]1(OO)CC=C(C)[C@H]21 2356664549 ZFVASFTUEVIQJA-QRXRQMIZSA-N 392.404 1.062 50 1 GDGF CCCC=COC(=O)[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@]13C[C@@]21C(=O)O[C@H]3O 2356696558 FVKCVIGTXMCNPU-MGWCHCTMSA-N 390.432 1.627 50 1 GDGF O=C(CSCC(=O)N/N=C/c1cccc(O)c1)N/N=C/c1cccc(O)c1 6534960 VOYDNVDLCGYOHS-LQGKIZFRSA-N 386.433 1.431 50 1 GDGF CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)/N=N/c1ccc(C(N)=O)cc1 103294142 CYKLCFNVPAIYGX-AWZKZOKMSA-N 383.408 1.696 50 1 GDGF CN(C)S(=O)(=O)c1cccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])c1 136932475 FJDYWBOQHJGVPK-BOPFTXTBSA-N 376.394 1.609 50 3 GDGF C=C1[C@@H](C[C@@H](O)[C@H]2CC(=O)NC2=O)[C@@]2(C)C[C@@H](Cl)[C@@H](O)C(C)(C)[C@H]2C[C@H]1O 2356594411 UACZEBODXTXUMI-DKMFRNKZSA-N 399.915 1.358 50 1 GDGF COC(=O)CON=C(C(=O)O)[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587374577 YTNSQXAVRDVRPM-MRXNPFEDSA-N 384.772 1.150 50 1 GDGF CC(=O)NNC[C@H]1CN(c2ccc(OCCN3CCCCC3)c(F)c2)C(=O)O1 27419511 DRBSFJXIHBYUEX-INIZCTEOSA-N 394.447 1.656 50 1 GDGF COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC[C@@H]3OC(=O)CCl)C1=O 40640237 MXVZTHDMJSVWBG-VIFPVBQESA-N 396.783 1.610 50 1 GDGF CCCCCN1C(=O)/C(=N\NC(=O)CN2CCOCC2)c2ccc(OC)cc21 40974532 DJZDNOAKIJTRSE-QOCHGBHMSA-N 388.468 1.385 50 1 GDGF C/C(=N/NC(=O)C[C@H]1N=C(Cc2ccccc2)NNC1=O)c1ccc(C)cc1 13136311 UVEHUTYZRFYRBL-OYADDEIPSA-N 377.448 1.870 50 1 GDGF COc1ccc(Br)cc1/C=N\NC(=O)CNC(=O)c1cccnc1 33351566 VNUTXXMMIMPVFT-UKWGHVSLSA-N 391.225 1.733 50 1 GDGF CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 618008366 ZBTZEYLFALKLGS-MRXNPFEDSA-N 396.582 1.993 50 1 GDGF Cc1cc(B(O)O)c(OC(C)C)c([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962891754 COMRPBUABVRUPW-ROUUACIJSA-N 387.216 1.289 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](O)[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356511950 RGDZQGAEJIRTEC-OWSLCNJRSA-N 376.405 1.161 50 1 GDGF C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1ccc(O)cc1 71295365 ZIBDDEFXLMACDR-YBFXNURJSA-N 387.417 1.793 50 1 GDGF NNC(=O)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587148555 ISVOCSMWFWLJSD-GFCCVEGCSA-N 385.374 1.961 50 1 GDGF COc1cc(/C=N\NC(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1O 28654770 JCPIHDLCHNRFIM-MTJSOVHGSA-N 381.388 1.927 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)C[C@H](OC(=O)C(=CC)CO)[C@@H]12 2356654708 HJCDUXVYKZXOOB-SQNIBIBYSA-N 376.405 1.163 50 1 GDGF COc1cc(/C=N/NC(=O)CCCCC(=O)NO)c(Br)cc1O 62233550 HELBCDDWSHHVHV-LZYBPNLTSA-N 388.218 1.679 50 1 GDGF O=NN(CCCl)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCCCl 28231536 BPQJXASDIPKKRL-GFCCVEGCSA-N 377.228 1.590 50 1 GDGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)Oc1ccc([N+](=O)[O-])cc1 43504636 IEEAQPSVEKMPHO-INIZCTEOSA-N 386.364 1.462 50 1 GDGF CC1(C)C[N@@]1[P@](=O)(NC(=O)OCCn1ccnc1[N+](=O)[O-])[N@@]1CC1(C)C 1857562441 OJQPSXZXCFLKKZ-XTIHSXFESA-N 386.349 1.814 50 1 GDGF O=C(CCCCC(=O)N/N=C/c1cc2c(cc1Br)OCO2)NO 95809062 VQKUZCWZLKYQJU-FRKPEAEDSA-N 386.202 1.694 50 1 GDGF C/C=C(\C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12 238754452 KDARIUDGXONUBS-SQBKAMOGSA-N 378.421 1.842 50 1 GDGF C=C1C[C@@H]2OC(=O)[C@@](C)(O)[C@H]2[C@@H](OC(=O)/C(C)=C\C)[C@@H]2O[C@@]2(C)CC[C@H]1OO 1857760311 AAEHRFQOSQPBIQ-SLAUIOJXSA-N 396.436 1.913 50 1 GDGF COc1ncccc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c1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/NC(=O)Cn2nnnc2N)o1 3206246 BENNNZWIYSFIIK-CNHKJKLMSA-N 384.356 1.191 50 3 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(O)=CCO)CC(=C)[C@]1(OO)CC=C(C)[C@H]21 2356598356 NNGGBEYEJBWSSK-PPLBCVRQSA-N 378.377 1.585 50 1 GDGF C/C(=N\NC(N)=O)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1 68248448 YZNMJEGWPCNNPV-NUGSKGIGSA-N 379.359 1.349 50 1 GDGF C=C1C(=O)O[C@H]2[C@@H]3C(C)=C[C@@H](O)[C@H]3[C@@](O)(CCl)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356593640 RQLHOJWFBMNYHW-SGPSVCNZSA-N 396.867 1.889 50 1 GDGF CN1C(=O)C[C@@H]2CN[C@@](c3ccccc3)(c3ccc(B(O)O)cc3)c3cccc1c32 963029255 PTVZRLAYYNCIOM-GYCJOSAFSA-N 398.271 1.712 50 1 GDGF CCN(/N=C(\C)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1)C(N)=O 96169174 IBXGWVDPIBOIHS-BRJLIKDPSA-N 389.423 1.942 50 1 GDGF O=C(CI)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 230474789 KKSILXHLGYNQMZ-UHFFFAOYSA-N 385.205 1.928 50 1 GDGF C[C@@]1(c2csc(B(O)O)c2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962983013 YHKDHEHIOOHOBW-BONVTDFDSA-N 387.600 1.222 50 1 GDGF O=C(O)[C@@H]1CCS[C@@H](CCO[P@](=O)(NCCl)NCCCl)N1 1857758215 LKMPHDNUCYFGFJ-FRUKKLPWSA-N 380.234 1.621 50 1 GDGF Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N2CC(C)(C)CNC2=C1[N+](=O)[O-] 653689389 DJOQLHNWCQJWEC-LJQANCHMSA-N 380.408 1.270 50 1 GDGF Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(CCCBr)c1=O 6521437 GVYNLPHKOWHHJO-HBNTYKKESA-N 388.222 1.062 50 1 GDGF CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@@H]2OC(=O)[C@H](C)[C@@H]12 2356688547 DMCKVYCFRJNFGZ-YBMLICPGSA-N 380.437 1.922 50 1 GDGF O=C(CCCCCCC(=O)Nc1ccccc1)NOCc1ccc(B(O)O)cc1 1857632838 LAGGXXVONHHPLO-UHFFFAOYSA-N 398.268 1.894 50 1 GDGF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)Cc1cccs1 205570574 YPOCGFLBPITFQR-VMPITWQZSA-N 390.446 1.934 50 1 GDGF [O-][n+]1nc2c(I)cnn2c2cc(OCCCl)ccc21 28649570 KLMWODXNCPKAOC-UHFFFAOYSA-N 390.568 1.738 50 1 GDGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)N3CCN(C)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103194250 CMPFTADJHZMSHW-QQOBTVJVSA-N 380.485 1.765 50 1 GDGF O=C(N/N=C/c1ccc(OCCCn2cc(CO)nn2)cc1)c1ccncc1 169346145 RLWMROBTCLQSBV-CIAFOILYSA-N 380.408 1.398 50 1 GDGF Cc1nc[nH]c1C(=O)N/N=C1\S[C@H](CC(=O)O)C(=O)N1c1ccc(F)cc1 64532133 QYVOXSLDHVMNCP-CSQSHRMHSA-N 391.384 1.481 50 1 GDGF N#Cc1ccc(CN2CCN(CC(=O)N/N=C/c3cc(F)ccc3O)CC2)cc1 149795767 JKEFDCSNAUIVBQ-ZMOGYAJESA-N 395.438 1.671 50 1 GDGF CCOC(=O)[C@@]1(CCBr)CCc2cc3c(O)nc(O)nc3nc21 587366653 OJGMOQMJQUBJSS-OAHLLOKOSA-N 382.214 1.968 50 1 GDGF CN(C)CCSSCCn1cc(CSc2nnc(N)s2)nn1 618012266 ADHZWSYXYPHLKT-UHFFFAOYSA-N 377.590 1.947 50 1 GDGF CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO)O[C@@H](n2ccc(N)nc2=O)C1(F)F 195520290 MAKBJUIOPCTFNB-ZMLRMANQSA-N 377.464 1.741 50 1 GDGF OB(O)c1cc([C@H]2NCCc3ccc(O)cc32)ccc1OCc1ccccc1 963339988 DHCOQLDIKKFTIU-JOCHJYFZSA-N 375.233 1.886 50 1 GDGF Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccccc2F)c1-c1cccs1 15978542 MWZHRSWMGHYMNE-UWVJOHFNSA-N 398.383 1.864 50 1 GDGF Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N\NC(=O)[C@H]1COc2ccccc2O1 169325493 LKOXGENSQWFWJU-UTYYKHSJSA-N 378.388 1.764 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1C[C@H](O)[C@@](C)(OC(=O)C(C)=CC)[C@@]13C=C[C@@](C)(OO1)[C@@H]23 2356508315 UMHHYRUGXILZJB-CXXOJBQZSA-N 376.405 1.762 50 1 GDGF CC(=N)/C(C#N)=C(/O)COC(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O 101467016 JQHOTAKJQTZBSO-IHSDEQHXSA-N 377.422 1.291 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(C=O)CC[C@@H]3O[C@]3(COC(C)=O)C[C@@H](OC(C)=O)[C@H]12 2356523777 FIUKBHLOUGCTHU-ILYVXUQDSA-N 378.377 1.026 50 1 GDGF Cc1cn([C@H]2O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C2(F)F)c(=O)[nH]c1=O 195761433 SHIXSJFECWHSOB-GVXVVHGQSA-N 392.475 1.760 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](O)(CCl)[C@@H]1[C@@H](O)C=C(C)[C@H]21 2356593639 RQLHOJWFBMNYHW-JEGNEPSBSA-N 396.867 1.889 50 1 GDGF CC(=O)N/N=C(\C)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1 68248445 JYCIOAWHVCUJGQ-AUEPDCJTSA-N 378.371 1.817 50 1 GDGF C=C(C)C(=O)O[C@@H]1[C@@H](OC)C(C=O)=CCCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 299807266 LQWAJKFPTTWLRD-ATIWLJMLSA-N 376.405 1.423 50 1 GDGF O=C(CCl)N1CCN(CCN2C(=O)[C@@H](Cl)[C@H]2c2ccccc2O)CC1 103196958 UXEONGFWXYXUDH-JKSUJKDBSA-N 386.279 1.266 50 1 GDGF CCS(=O)(=O)OCCN(C)[P@@]1(=O)OCC[C@H](OO)N1CCCl 299847076 UBYPXTQKOXHFRP-CHNSCGDPSA-N 380.787 1.169 50 1 GDGF CC(C)CC(=O)O[C@@H]1C(=O)[C@]2(C)O[C@@H]2C[C@H]1[C@@]1(C(=O)C=CC(C)(C)OO)CO1 2356415920 BHBBEGXGAAULIM-PPQTYKQMSA-N 396.436 1.853 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](C(=C)C=O)[C@](C)([C@H]1CO1)[C@H]2OC(=O)C(C)=CC 2356413121 NXPOIAZRKHEBBW-FHCMSMHSSA-N 376.405 1.113 50 1 GDGF O[C@@H]1[C@H](CCl)O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5CC[C@@H]4C5)ncnc32)[C@@H]1O 100681027 PVJGDYDNVNCGBT-KPHDTSAESA-N 379.848 1.285 50 1 GDGF COc1ccc(/C=N/NC(=O)Cn2c(=O)c(C)nc3ccccc32)c(OC)c1 207930316 ZLFVIKXLFRUHNR-SRZZPIQSSA-N 380.404 1.872 50 1 GDGF O=C([C@@H]1Cc2ccccc2[C@H](c2ccc(B(O)O)c(F)c2F)N1)C(F)(F)F 962704870 DPNWFQHAQBKWDT-SWLSCSKDSA-N 385.097 1.380 50 1 GDGF O=C([C@@H]1Cc2ccccc2[C@]2(CCCc3ccc(B(O)O)cc32)N1)C(F)(F)F 962761911 ICIACTLXQLRNBT-HKUYNNGSSA-N 389.182 1.592 50 1 GDGF COc1ccccc1C(=O)NCC(=O)NN/C=C1\C=NN=C1c1ccccc1 15953273 JGECKJSSLDRVAA-RVDMUPIBSA-N 377.404 1.418 50 3 GDGF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C(=O)NN)ccc3[nH]2)cc1 586938464 JZRZIRGTIBRNCD-NSHDSACASA-N 387.465 1.910 50 1 GDGF C=C(C)C(=O)O[C@@H]1[C@H](OC)C(C=O)=CCCC(=C)[C@H](O)[C@@H]2OC(=O)C(=C)[C@@H]12 2356460177 LQWAJKFPTTWLRD-ILOCAZANSA-N 376.405 1.423 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC)[C@H](OC(=O)C(C)C)[C@@H]12 2356623719 KOSNOBOYWSVACZ-VSZNYVQBSA-N 378.421 1.505 50 1 GDGF CCN(CCCl)[P@@]1(=O)OCC[C@H](OO)N1CCOS(C)(=O)=O 299847029 QASKVMAKQLORSY-CHNSCGDPSA-N 380.787 1.169 50 1 GDGF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(C(=O)NN)n1 587868810 TYQMHQGFUBGPCU-UHFFFAOYSA-N 378.314 1.960 50 1 GDGF Cc1nc2ccccc2n1CC(=O)NNC(=O)C(=O)c1c[nH]c2ccccc12 653834512 AGSFSPYGUBKJPY-UHFFFAOYSA-N 375.388 1.856 50 1 GDGF COC(=O)CN(c1ccc([Si](C)(C)O)cc1)S(=O)(=O)c1ccccc1 1857768075 CHADRLVAUQMLCQ-UHFFFAOYSA-N 379.510 1.459 50 1 GDGF CN(C)CCSSCCCNC(=O)c1ccc(S(N)(=O)=O)cc1 618007967 OXJLERJOFWNXMB-UHFFFAOYSA-N 377.557 1.397 50 1 GDGF COc1ccc(S(N)(=O)=O)cc1C(=O)NCCSSCCN(C)C 618008358 YVZDXIRKBQOWKS-UHFFFAOYSA-N 393.556 1.015 50 1 GDGF CN(C)CCSSCCNC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C 618008532 HZJOXATUAICDHO-LBPRGKRZSA-N 391.559 1.972 50 1 GDGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3ccccc3B(O)O)N12 962674634 VTCIZPJAHIXOTL-NQIIRXRSSA-N 376.221 1.103 50 1 GDGF O=C(CCC(=O)Nc1cccc(Cl)c1)NN/C=C1\C=C([N+](=O)[O-])C=CC1=O 13119028 VCKQIZQFUVKKOB-ZHACJKMWSA-N 390.783 1.863 50 3 GDGF O=C(O[C@H]1CSS(=O)(=O)C1)c1ccccc1I 96911556 GDOJBVZLMBFFNK-ZETCQYMHSA-N 384.216 1.893 50 1 GDGF COC1=CC(=O)[C@]2(C1)[C@H](Cl)C[C@]13C(OC)=C(OC)C(=O)C(=O)[C@@]21CCN3C 2356642726 SAJAPJKVDJRETQ-VNNGDKDKSA-N 395.839 1.204 50 1 GDGF C[C@]1(c2csc(B(O)O)c2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962983014 YHKDHEHIOOHOBW-MEBBXXQBSA-N 387.600 1.222 50 1 GDGF COc1ccc(C)cc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1cccnc1 6998544 RPHRPDPJNOFTAB-YDZHTSKRSA-N 383.408 1.858 50 3 GDGF CCOC(=O)[C@H](C(=O)O)N1C=CC(C(=O)N/N=C/c2ccccc2Cl)C=C1 100086974 FYPLAXJGHLVDBJ-BBJIBYMTSA-N 391.811 1.766 50 1 GDGF O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)c1cc2ccccc2oc1=O 103285659 VJRPNYQXEAPKPW-UHFFFAOYSA-N 378.300 1.787 50 1 GDGF CN(C)CCSSCCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)O 618009322 VKBPBFJIRYWBCC-LBPRGKRZSA-N 395.591 1.710 50 1 GDGF NNC(=O)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587148564 ISVOCSMWFWLJSD-LBPRGKRZSA-N 385.374 1.961 50 1 GDGF CO[C@H]1CCCN(Cc2ccc(CNCCN3CCNC3=C(C#N)C#N)o2)C1 2010414 KNECVBKLZJDAMM-SFHVURJKSA-N 384.484 1.144 50 1 GDGF CC(=N)/C(C#N)=C(\O)COC(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O 103108252 JQHOTAKJQTZBSO-NTQVGUBLSA-N 377.422 1.291 50 1 GDGF CC1=NN(c2ccccc2)C(=O)/C1=C/NNC(=O)COc1ccccc1[N+](=O)[O-] 100541586 RHVLPYRSTRYXFC-RVDMUPIBSA-N 395.375 1.901 50 3 GDGF CC(C)[C@]1(CBr)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963222666 ZTACINFEIGCEQI-MQIPJXDCSA-N 381.274 1.414 50 1 GDGF CC1(C)OB(c2cc3c(cc2/C=N/NC(=O)c2ccncc2)OCO3)OC1(C)C 1857770161 UQEFGFXGDBVKPF-FOKLQQMPSA-N 395.224 1.873 50 1 GDGF O=C(N/N=C/c1ccccc1[N+](=O)[O-])C1=C(O)c2ccccc2S(=O)(=O)N1 49552122 DPOBZOCQPJWBQS-RQZCQDPDSA-N 388.361 1.264 50 1 GDGF CC(C)(C)[Si](C)(C)O[C@@H]1/C(=C/C#N)[C@H](n2ccc(=O)[nH]c2=O)O[C@H]1CO 195502356 SVYVVRNFTSBWJQ-UPWFMHNMSA-N 379.489 1.267 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C=C(C)[C@]1(OO)CC=C(C)[C@H]21 2356447423 RKTXNXWAPMYGJZ-QRXRQMIZSA-N 392.404 1.062 50 1 GDGF NNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1cnn2-c1ccccc1 1772649088 CYTAJBCKUGKNPS-UHFFFAOYSA-N 380.795 1.828 50 1 GDGF CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2ccoc2C)C1=O 12950648 LPHOQVJZQQELFE-IBGZPJMESA-N 384.392 1.206 50 3 GDGF Cc1[nH]nc(C(=O)NN)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880618 UQOJXCGAMVTYHD-UHFFFAOYSA-N 380.235 1.339 50 1 GDGF CN(Cc1nc2ccc(C(=O)NN)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929182 TXQBMRTVWYIWGJ-UHFFFAOYSA-N 393.856 1.641 50 1 GDGF CCN(CC(=O)N1CCCCCC1)C[C@@H]1NC(=O)[C@@H]2CC[C@@H](Cl)C[C@@H]2N1 618012630 PTEWYWRDXGWARH-NCOADZHNSA-N 384.952 1.533 50 1 GDGF O=C(Cn1nnnc1-c1ccccc1)NN1C(=O)[C@H](Cl)[C@H]1c1ccccc1 1857544862 NHJQHLFTPGECOF-HZPDHXFCSA-N 382.811 1.562 50 1 GDGF O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H]1O 13796800 VFICWCCQMHAXFS-LSCFUAHRSA-N 375.816 1.296 50 1 GDGF O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@@H]4C[C@H]5CC[C@@H]4C5)ncnc32)[C@@H]1O 40845239 PVJGDYDNVNCGBT-TUCSMKNISA-N 379.848 1.285 50 3 GDGF in-vitro CC1=NNC(=O)[C@H]1[C@H]1C(=O)NN=C(c2c[nH]c3ccccc23)[C@@H]1Br 195497969 CTXDHXWHBFPWLD-JHJVBQTASA-N 388.225 1.503 50 1 GDGF CCOC1=C/C(=C\NNC(=O)NN/C=C2\C=CC(=O)C(OCC)=C2)C=CC1=O 17311306 ISILAQZGTRIIDV-HEEUSZRZSA-N 386.408 1.181 50 3 GDGF CCn1cc(C(=O)NNS(=O)(=O)c2ccc(C)cc2)c(=O)c2ccccc21 96911390 DALKUAVLSDASDP-UHFFFAOYSA-N 385.445 1.953 50 1 GDGF Cc1cn([C@@H]2O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)C2(F)F)c(=O)[nH]c1=O 195761434 SHIXSJFECWHSOB-GMXVVIOVSA-N 392.475 1.760 50 1 GDGF COc1cc(C(=O)NNS(=O)(=O)c2ccccc2)cc(-c2ncccn2)c1 1857567904 GATMKLZRYGVSAK-UHFFFAOYSA-N 384.417 1.776 50 1 GDGF CC1=CC(=O)O[C@@H]2CC[N@+]3(CCl)CC[C@H](COC(=O)[C@](C)(O)[C@@H](C)C1)[C@@H]23 2356320180 LGHRCDVEZVROEB-KECOSADSSA-N 386.896 1.984 50 1 GDGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)N3CCN(C)CC3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103194248 CMPFTADJHZMSHW-TYOHIEAGSA-N 380.485 1.765 50 1 GDGF C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12 238764026 KDARIUDGXONUBS-MQZLVKNTSA-N 378.421 1.842 50 1 GDGF CC(C)c1c(C(=O)NN/C=C2\C=Nc3ccccc32)nnn1-c1nonc1N 15952065 FMTREQGXBGPRRH-CSKARUKUSA-N 379.384 1.347 50 3 GDGF C/C=C(/C=O)[C@@H](CC(=O)OCCc1ccc(O)c(O)c1)[C@@H](C=O)C(=O)OC 34471702 LTKAHEKEHUYXLZ-JBCIRVFLSA-N 378.377 1.323 50 1 GDGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccncc2)CC1 618008342 YPZRYBYJFXLVQI-UHFFFAOYSA-N 396.582 1.993 50 1 GDGF O=C(CN1CCN(C(=O)c2ccccc2)CC1)N/N=C/c1cc(F)ccc1O 149813812 CGRBQKRLRYCSCL-LPYMAVHISA-N 384.411 1.439 50 1 GDGF COC1=CC=C/C(=C\NNC(=O)CSc2nnc(C)n2-c2ccccc2)C1=O 13119349 QRGHVYUVDXTHBZ-SDNWHVSQSA-N 397.460 1.842 50 3 GDGF CC1=C(C=O)C[C@H](C)[C@]12CC[C@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@@H]1O)C2 2356415267 GAPHEKNEWIGEDS-LXSAENJDSA-N 382.497 1.951 50 1 GDGF C=C1C(=O)O[C@H]2[C@@H]3C(C)=C[C@H](O)[C@H]3[C@@](O)(CCl)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356593641 RQLHOJWFBMNYHW-SVELIZGLSA-N 396.867 1.889 50 1 GDGF CCN(CC)S(=O)(=O)c1cccc(C(=O)NN/C=C2\C=CC=C(O)C2=O)c1 103822099 PBMWCMANGYHKIQ-WYMLVPIESA-N 391.449 1.416 50 3 GDGF CCN(CC(=O)N1CCCCCC1)C[C@@H]1NC(=O)[C@@H]2CC[C@H](Cl)C[C@H]2N1 618012557 PTEWYWRDXGWARH-HZMVEIRTSA-N 384.952 1.533 50 1 GDGF CCCCCC(=O)N[C@@H](Cc1ccccc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c1cc(O)c2c(=O)oc(C[C@]3(C(Cl)Cl)C[C@H](O)C(=O)O3)cc2c1 2356325265 WVPCKHBOHMSILA-MEDUHNTESA-N 389.187 1.900 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](O)[C@@H](OC(=O)C(C)=CC)[C@H]12 2356511949 RGDZQGAEJIRTEC-BDXSIMOUSA-N 376.405 1.161 50 1 GDGF CCO[C@]1(OC)C(Br)=C[C@]2(O)CC(=O)O[C@@H]2[C@@H]1Br 2356416968 METYCVPWPKHKRD-ZRUFSTJUSA-N 386.036 1.468 50 1 GDGF COc1cc2c3c(c1)O[C@](CBr)(c1ccnc(N)n1)[C@@H](C2)C3=O 587414344 UQSVTRQRIRQSJZ-QFYYESIMSA-N 376.210 2.105 50 1 GDGF COc1cc(/C=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)ccc1O 40894744 ZXYUEFHGWHBTHU-GIJQJNRQSA-N 389.389 1.070 50 1 GDGF CC(C)(C(=O)N[C@H]1CCCCNC1=O)c1ccc(S(=O)(=O)/C=C/C#N)cc1 147431037 NZYBKITZASENPJ-RBBXRFMQSA-N 389.477 1.560 50 1 GDGF CCOC(=O)N1CCC(=NNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 1772573245 ZHNLDIGDDVGFJH-UHFFFAOYSA-N 379.329 1.841 50 1 GDGF CC=C(C)C(=O)O[C@@H]1C(=O)[C@]2(C)O[C@@H]2C[C@@H]1[C@@]1(C(=O)C=CC(C)(C)OO)CO1 2356654630 FFSZFSPHSRVERO-NBQKNHDFSA-N 394.420 1.773 50 1 GDGF COc1cc2c3c(c1)O[C@]1(C=C(COC(=O)CCl)OCC1=O)[C@@H](C2)C3=O 587423809 WFEUIIIBXXKUOA-KPZWWZAWSA-N 378.764 1.447 50 1 GDGF C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@](O)(CCl)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 105379975 ONMAQPPVCANFPB-WDUCEZRYSA-N 382.840 1.499 50 1 GDGF biogenic C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CCl)[C@@H]2[C@H]2OC(=C)C(=C)[C@H]12 45496075 PLRNJPRHWFZGAM-IROULXBISA-N 396.867 1.458 50 1 GDGF C[C@H](Oc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1)C(=O)NN 962904979 WGAZOTLSHJGCRQ-XITNVPRNSA-N 387.411 1.445 50 1 GDGF C=C1C(=O)O[C@H]2[C@@H]3[C@@]4(C=C[C@@]3(C)OO4)[C@@](C)(OC(=O)C(C)=CC)[C@@H](O)C[C@H]12 2356508321 UMHHYRUGXILZJB-YOSIWLQUSA-N 376.405 1.762 50 1 GDGF C=C1[C@@H](C[C@@H](O)[C@@H]2CC(=O)NC2=O)[C@@]2(C)C[C@@H](Cl)[C@@H](O)C(C)(C)[C@H]2C[C@H]1O 2356594412 UACZEBODXTXUMI-PLEAFALNSA-N 399.915 1.358 50 1 GDGF CN1CCN(S(=O)(=O)C[C@]2(C)[C@@H]3CC[C@@]2(C)C(=O)[C@@H]3Br)CC1 23211769 IPLUOSAUUKDXNT-RJZRQDKASA-N 393.347 1.332 50 1 GDGF CC(C)CC(=O)O[C@@H]1C(=O)[C@]2(C)O[C@@H]2C[C@@H]1[C@]1(C(=O)C=CC(C)(C)OO)CO1 2356415919 BHBBEGXGAAULIM-OZNVVAOVSA-N 396.436 1.853 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(O)=CCO)C=C(C)[C@]1(OO)CC=C(C)[C@@H]21 2356667553 WSRFTQCEQNYNFO-LAIHZFQQSA-N 378.377 1.585 50 1 GDGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3c(F)cccc3B(O)O)N12 962657340 BOFBJOCTYCWEQS-WIYYLYMNSA-N 394.211 1.242 50 1 GDGF CCOC(=O)CCOCCCOCCc1nc2ccc(C(=O)NN)cc2[nH]1 587568493 MURKZCJXPLUDKK-UHFFFAOYSA-N 378.429 1.085 50 1 GDGF CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(C)(C)C)nn1C 1857753813 GWGYOEFAMBIJPC-INIZCTEOSA-N 396.495 1.845 50 1 GDGF Cn1c(CO[P@@](N)(=O)N(CCCl)CCCl)nc2c1C(=O)C=CC2=O 26845632 ARNYEFRGUZTLGI-XMMPIXPASA-N 395.183 1.718 50 1 GDGF CCCC=CC(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@]13C[C@]21C(=O)O[C@H]3O 2356517300 FGNPPWFDUWSHQL-BFEPZWMGSA-N 390.432 1.422 50 1 GDGF C/C(=N\NC(N)=O)c1cnc2nnn([C@@H](C)c3cc4cccnc4cc3F)c2n1 96169177 YIVKNZDBQVCYPW-OEXWIMQBSA-N 393.386 1.910 50 1 GDGF O=C(CCl)N1CCN(CCN2C(=O)[C@@H](Cl)[C@@H]2c2ccccc2O)CC1 103196961 UXEONGFWXYXUDH-HOTGVXAUSA-N 386.279 1.266 50 1 GDGF CCCC=CC(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@]13C[C@@]21C(=O)O[C@@H]3O 2356517302 FGNPPWFDUWSHQL-SMRGNRGDSA-N 390.432 1.422 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(O)=CCO)CC(=C)[C@]1(OO)CC=C(C)[C@@H]21 2356598355 NNGGBEYEJBWSSK-LAIHZFQQSA-N 378.377 1.585 50 1 GDGF COc1cc(Br)cc(/C=N/NC(=O)CCCCC(=O)NO)c1O 95809063 QEDQMDKGVINKOY-LZYBPNLTSA-N 388.218 1.679 50 1 GDGF COc1ccc2c(c1)[C@]1(NC[C@H]3CC(=O)N(C)c4cccc1c43)C(C=O)=C(N)O2 963024343 MTLXFFBTTHDPHO-IPQOISQHSA-N 391.427 1.754 50 1 GDGF CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)C1(c2ccccc2)CC1)B(O)O 1857619679 UDDHMVDDHBIQFF-MSOLQXFVSA-N 388.317 1.792 50 1 GDGF Cn1c(CO[P@](N)(=O)N(CCCl)CCCl)nc2c1C(=O)C=CC2=O 101267725 ARNYEFRGUZTLGI-DEOSSOPVSA-N 395.183 1.718 50 1 GDGF C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(N[C@H]3C[C@@H]4CC[C@@H]3C4)ncnc21 101211754 KJRVCYQOURUJNS-QXDYWETKSA-N 393.875 1.675 50 1 GDGF CC=C(C)C(=O)O[C@@H]1C(=O)[C@]2(C)O[C@@H]2C[C@H]1[C@@]1(C(=O)C=CC(C)(C)OO)CO1 2356654631 FFSZFSPHSRVERO-XYLQXPKGSA-N 394.420 1.773 50 1 GDGF C=C1C[C@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CCl 238739704 ZSYKCZZWACIFPT-FLEPOKFWSA-N 396.867 1.889 50 1 GDGF CCOc1ccc(-c2nn(C(=O)C(=O)NN)c(=O)c3ccccc23)cc1OCC 587668795 DNRNIHVWEQIMSS-UHFFFAOYSA-N 396.403 1.491 50 1 GDGF CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)B(O)O 170183636 VYJGIZAZFZWYOU-RTBURBONSA-N 382.269 1.571 50 1 GDGF C[C@@]12C[C@H](c3ccccc3O1)[C@@H](/C(N)=N\NC(=O)c1ccc(F)cc1)C(=O)N2 169684103 AICFEIXZPKABPO-IIMJZQEZSA-N 382.395 1.856 50 1 GDGF CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2ccccn2)C1 618007691 FDRSIMOCYQIHRL-OAHLLOKOSA-N 396.582 1.993 50 1 GDGF C[C@]1(c2csc(B(O)O)c2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962983015 YHKDHEHIOOHOBW-ZUZCIYMTSA-N 387.600 1.222 50 1 GDGF CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2ccoc2C)C1=O 12950652 LPHOQVJZQQELFE-LJQANCHMSA-N 384.392 1.206 50 3 GDGF CS(=O)(=O)/C(C#N)=C/c1cccn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 61944518 ZBRMKJXVRIZEJO-NTEUORMPSA-N 381.391 1.542 50 3 GDGF CC[C@@H](C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12 238777794 HJZVZKYDRKLUIF-UHTKSRHBSA-N 380.437 1.922 50 1 GDGF O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(F)cc21)c1ccccc1 71341422 FHGUAGHEYBURPW-PYCFMQQDSA-N 382.395 1.596 50 1 GDGF NNC(=O)C1=NO[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 40917843 MEDKDINGYXXOSJ-HXUWFJFHSA-N 379.464 1.816 50 1 GDGF Cc1c(SC2CCCCC2)n(COCNC(=O)CCCl)c(=O)[nH]c1=O 28129461 AVEPGCURBLKKFM-UHFFFAOYSA-N 389.905 1.947 50 1 GDGF CNC(=O)N/N=C(\C)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1 96169172 VKLOXRKIFWBBOQ-FOKLQQMPSA-N 375.396 1.471 50 1 GDGF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C(=O)NN)ccc3[nH]2)cc1 586938458 JZRZIRGTIBRNCD-LLVKDONJSA-N 387.465 1.910 50 1 GDGF C#CCN(N=O)C(=O)NCCCC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 5663206 WKIQCAOTGDUJJJ-QGZVFWFLSA-N 387.440 1.304 50 1 GDGF Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C\NCC[C@@H]1CNCCO1)C=C3C=O 102163242 JFEHTKGEYNTRNG-SCOADAFUSA-N 394.427 1.732 50 1 GDGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238761669 RGDZQGAEJIRTEC-NXBRTIEFSA-N 376.405 1.161 50 1 GDGF Cc1nnc(Sc2ccc(/C=N/NC(=O)CCCCC(=O)NO)o2)n1C 95809395 XPGLHDORVVUUPB-CXUHLZMHSA-N 380.430 1.384 50 1 GDGF CC(C)C(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(O)nc2=O)[C@H](O)[C@@H]1O 653842824 GWHCHCAECQNTNT-NMFUWQPSSA-N 386.521 1.226 50 1 GDGF CCc1ccc(N2C[C@@H](C(=O)NN/C=C3\C=C([N+](=O)[O-])C=CC3=O)CC2=O)cc1 13124331 QGNNAZJYABWOIU-GOFCXVBSSA-N 396.403 1.406 50 3 GDGF Cc1cccc([C@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2cccnc2)c1 195469566 SEJYVFOLVLKPTH-OALUTQOASA-N 397.284 1.794 50 1 GDGF CCC(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](CO)NC(=O)C(Cl)Cl 1857633065 YMUSNSABNQXGGA-ZYHUDNBSSA-N 379.196 1.870 50 1 GDGF CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)OCCCl 13650614 SZCUJDVEJHDTFO-IHRRRGAJSA-N 376.881 1.229 50 1 GDGF C=C1C[C@H](OC(=O)C(C)=CC)[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@@H](O)[C@@]2(O)CCl 2356378989 ZHTAPHUCILGZBM-AHFSPPNMSA-N 398.883 1.969 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](C(=C)C=O)[C@](C)([C@@H]1CO1)[C@H]2O 2356389892 KHETWGVZAJUMQY-WPZPEQEVSA-N 376.405 1.113 50 1 GDGF COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)/C(=N\NC(C)=O)c2ccccc21 102580905 GNUNQIQUUMPTOZ-ODENVGOISA-N 395.371 1.760 50 3 GDGF C[C@@]1(c2ccccc2B(O)O)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962669756 QHAXLPDFYNRALR-VXKWHMMOSA-N 390.248 1.277 50 1 GDGF CCN(CCCl)c1cc(C(=O)NCCN(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] 5499504 UHYLKAARJNNNSX-UHFFFAOYSA-N 387.824 1.860 50 1 GDGF Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NNC=O)[nH]c12 222685649 RGYMRFZCQUFANP-UHFFFAOYSA-N 390.407 1.801 50 1 GDGF C[C@@H](O)[C@@H](C(=O)NCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C 618009385 WTXYIPIUVUXTQX-OLZOCXBDSA-N 395.591 1.662 50 1 GDGF CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@@H]2OC(=O)[C@H](C)[C@@H]12 2356475632 KDARIUDGXONUBS-SIYQEOMKSA-N 378.421 1.842 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(C=O)CC[C@@H]3O[C@]3(COC(C)=O)C[C@H](OC(C)=O)[C@H]12 2356523779 FIUKBHLOUGCTHU-RDHIYWLCSA-N 378.377 1.026 50 1 GDGF C/C(=N\N(C)C(N)=O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1 96169171 BODSPDYFDMSKOO-BHGWPJFGSA-N 375.396 1.552 50 1 GDGF CNC(=O)N(C)/N=C(\C)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1 96169173 QELDZPVTQQCJAU-BRJLIKDPSA-N 389.423 1.813 50 1 GDGF C=C(C)C(=O)O[C@@H]1/C=C(\C=O)[C@@H](OCC)CCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 85941995 MVHWAMDNVFDMJV-GGGXDIGGSA-N 390.432 1.813 50 1 GDGF COc1ccc(CCc2cc(=O)c3c(o2)[C@H](Cl)[C@H](O)[C@H](O)[C@@H]3O)cc1O 2356729606 VDGFKYPRROFDLY-WCXIOVBPSA-N 382.796 1.188 50 1 GDGF N=C(N)Nc1cccc(C(=O)NNC(=O)N[C@@H](CC(=O)O)c2ccccc2)c1 13558903 DRAZWXSJTKLZTP-AWEZNQCLSA-N 384.396 1.152 50 1 GDGF NNC(=O)c1ccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2c1 587259737 KUEPBKSIPNCXIF-HNNXBMFYSA-N 396.451 1.873 50 1 GDGF CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@@H]2OC(=O)[C@@H](C)[C@H]12 2356688545 DMCKVYCFRJNFGZ-FUQWBHISSA-N 380.437 1.922 50 1 GDGF Cc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)Cn2nnnc2-c2ccccc2)cc1 1857588755 DPFICSACTUXDDI-SJORKVTESA-N 396.838 1.871 50 1 GDGF COC1=C[C@@H]2C=C(C[C@]3(C(Cl)Cl)C[C@@H](O)C(=O)O3)OC(=O)[C@H]2C(O)=C1 2356747753 VGDCFUPJKMVWMA-MUFQVKIBSA-N 391.203 1.886 50 1 GDGF COC1=C[C@@H]2C=C(C[C@]3(C(Cl)Cl)C[C@@H](O)C(=O)O3)OC(=O)[C@@H]2C(O)=C1 2356747752 VGDCFUPJKMVWMA-LOIZFDRZSA-N 391.203 1.886 50 1 GDGF CC1(C)C[N@@]1[P@](=O)(NC(=O)NCCn1ccnc1[N+](=O)[O-])[N@@]1CC1(C)C 1857535853 GQGGNCZNIWNWFE-ZJZZYZHZSA-N 385.365 1.387 50 1 GDGF CCn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)NN)n1 587885554 OAZRHCCHQLDYHW-UHFFFAOYSA-N 394.262 1.524 50 1 GDGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cc(F)cc(B(O)O)c2)N1 962966669 MTMKXDBHMUSRKT-WFASDCNBSA-N 385.534 1.125 50 1 GDGF COc1c[c-](/C=N/NC(=O)c2cncc(Br)c2)cc([N+](=O)[O-])c1=O 169690057 QHEDGQHCMIWCOG-YAXRCOADSA-N 394.161 1.604 50 1 GDGF C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc21 253666460 KJRVCYQOURUJNS-NFTIPNEESA-N 393.875 1.675 50 1 GDGF CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@@H]2OC(=O)[C@H](C)[C@H]12 2356688546 DMCKVYCFRJNFGZ-QLJRBGLASA-N 380.437 1.922 50 1 GDGF CCn1c(=O)c(C(=O)NNC(=O)CCc2ccc(O)cc2)c(O)c2ccccc21 1772571841 AAXWZSLEMCYUCH-UHFFFAOYSA-N 395.415 1.826 50 1 GDGF NNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc(Cl)cc1 103248239 PAJHSXQQPZAVON-UHFFFAOYSA-N 391.840 1.444 50 1 GDGF C=C(C(=O)O[C@@H]1CC(C)=CCCC(C=O)=C[C@@H]2OC(=O)C(=C)[C@@H]21)[C@H](O)CO 2356503373 GCPJCNXGKVLIOY-ZJPYXAASSA-N 376.405 1.161 50 1 GDGF C[C@@H]1N[C@H](C(=O)NNC(=O)[C@@H](N)Cc2ccccc2)Cc2c1[nH]c1ccccc21 72108472 PEFFMSAXLRDKFQ-IXDGSTSKSA-N 391.475 1.461 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C=C(C)C)C[C@@](C)(O)[C@@]13CC[C@@](C)(OO1)[C@H]23 2356713878 UZTVRQCUOHSNPN-FFDHZAPUSA-N 378.421 1.986 50 1 GDGF N#CC1(O)CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 95583868 CATIVWSNFKDBPZ-AWEZNQCLSA-N 386.387 1.297 50 1 GDGF Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-n2nccn2)c1 1857607847 LENUDVJMQABERO-UHFFFAOYSA-N 375.385 1.338 50 1 GDGF CCCC=COC(=O)[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@]13C[C@@]21C(=O)O[C@@H]3O 2356696559 FVKCVIGTXMCNPU-RIKWGHSYSA-N 390.432 1.627 50 1 GDGF Cc1cc(O)cc(O)c1C(=O)O[C@]1(C)C(=O)C=C2C=C(/C=C/C=O)OC=C2C1=O 14594463 SAZKXUITORBGED-YEFOHOTDSA-N 396.351 1.953 50 1 GDGF COc1ccc(Cn2cc(C(=O)NN=C3C(=O)Nc4ccc(F)cc43)nn2)cc1 1857565998 DSYHQOXETZMPEB-UHFFFAOYSA-N 394.366 1.560 50 1 GDGF CCN(CC(=O)N1CCCCCC1)C[C@@H]1NC(=O)[C@@H]2CC[C@H](Cl)C[C@@H]2N1 618012632 PTEWYWRDXGWARH-YVSFHVDLSA-N 384.952 1.533 50 1 GDGF CN(Cc1nc2ccc(C(=O)NN)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170374 RWSQWWQIOQMOSN-UHFFFAOYSA-N 377.401 1.126 50 1 GDGF CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCC#N 28816926 XINSIGOHVDSHMB-UHFFFAOYSA-N 385.862 1.208 50 1 GDGF Cc1cccnc1[C@]1(CCl)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963221094 WDJRNTGVFLPYTD-CKFHNAJUSA-N 385.855 1.353 50 1 GDGF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)CCl)CC3)cc21 5657623 INKFOZHHHWHYGA-UHFFFAOYSA-N 395.818 1.746 50 1 GDGF CC1(C)C[N@@]1P(=O)(NC(=O)NCCn1ccnc1[N+](=O)[O-])[N@]1CC1(C)C 1857535852 GQGGNCZNIWNWFE-WOJBJXKFSA-N 385.365 1.387 50 1 GDGF CC(=O)N[C@@H](C)C(=O)N/N=C/[C@H](Cc1ccccc1)NC(=O)c1ccccc1 28253223 ZXJNTMWTKAJDGW-PFAOCYIVSA-N 380.448 1.654 50 1 GDGF C=C(C)C(=O)O[C@@H]1C=C(C=O)[C@H](OCC)CCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@H]21 2356635863 MVHWAMDNVFDMJV-GFEQUFNTSA-N 390.432 1.813 50 1 GDGF COC(=O)c1ccccc1/C=N/NC(=O)CN1CCN(Cc2ccccc2)CC1 45300578 GPYLSLRUQHIYNR-HZHRSRAPSA-N 394.475 1.741 50 1 GDGF Cc1cc(OO)c(CO)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)[C@H](O)OC3=O 238756282 SVGOQPVFXAAWKT-GOSISDBHSA-N 390.300 1.839 50 1 GDGF C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@@](C)(OC(=O)/C(C)=C/C)[C@@]13C=C[C@@](C)(OO1)[C@H]23 100891871 UMHHYRUGXILZJB-ISOVPUPJSA-N 376.405 1.762 50 1 GDGF CC(C)(C)[Si](C)(C)O[C@@H]1/C(=C/C#N)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H]1CO 195773388 SVYVVRNFTSBWJQ-WMSGZHCNSA-N 379.489 1.267 50 1 GDGF CC(C)(C)OC(=O)N1CCN(c2ncc(C(=O)NN)c(C(F)(F)F)n2)CC1 2523408 ROHYUFUIPGNHLO-UHFFFAOYSA-N 390.366 1.156 50 1 GDGF COc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N/N=C/c2ccccc2)cc1 45352705 WNHZDTLNANKVCV-OGBFJMLUSA-N 391.431 1.910 50 1 GDGF CC(C)(C)OC(=O)NC1(c2nc3ccc(C(=O)NN)cc3[nH]2)CCC(O)CC1 587237272 PSUIEECFJXZCKY-UHFFFAOYSA-N 389.456 1.821 50 1 GDGF Cc1ccc(S(=O)(=O)NCC(=O)NCCSSCCN(C)C)cc1 618008636 IWMZQZQXLILPOF-UHFFFAOYSA-N 391.584 1.333 50 1 GDGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1=C(O)c2ccccc2S(=O)(=O)N1 40897326 AAZPXMXXXXUNAW-RQZCQDPDSA-N 388.361 1.264 50 1 GDGF C=C1C[C@H](OC(=O)C(C)=CC)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@@H](O)[C@]2(O)CCl 2356525722 ZSYKCZZWACIFPT-UQSYLFMPSA-N 396.867 1.889 50 1 GDGF C[C@]12C=CC(=O)C=C1[C@@H](Cl)C[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)CO 253637847 YPALCUPIOICVHI-MPGKTPHYSA-N 394.895 1.775 50 1 GDGF Cc1c(C(=O)N/N=C/c2c(O)ccc3ccccc23)nnn1-c1nonc1N 3098388 FEOPBRQYHUEHRQ-UFWORHAWSA-N 378.352 1.164 50 1 GDGF CC(C)CC(=O)O[C@H]1C[C@@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12 238734125 DMCKVYCFRJNFGZ-MLBSSZIMSA-N 380.437 1.922 50 1 GDGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cc(C(F)(F)F)ccc2B(O)O)N1 962892924 FKHDMEDQTODHDY-ZFWWWQNUSA-N 383.106 1.213 50 1 GDGF NS(=O)(=O)c1ccc(/N=C2\NC[C@H](CI)S2)cc1 5580650 WYATYSZFAKQDTL-QMMMGPOBSA-N 397.263 1.462 50 1 GDGF O=C(N/N=C1\CCc2cccc(O)c21)c1ccc(S(=O)(=O)NC2CC2)cc1 1857570543 KIVFSFIIVHMOOT-CAPFRKAQSA-N 385.445 1.913 50 1 GDGF C=C(C(=O)O[C@@H]1CC(C)=CCCC(C=O)=C[C@@H]2OC(=O)C(=C)[C@H]21)[C@H](O)CO 2356503370 GCPJCNXGKVLIOY-BDXSIMOUSA-N 376.405 1.161 50 1 GDGF Cc1ccc(S(=O)(=O)NNC(=O)NC(C(F)(F)F)C(F)(F)F)cc1 68573424 RIBIBMNVZRHZBY-UHFFFAOYSA-N 379.282 1.981 50 1 GDGF biogenic CC=C(C=O)[C@@H](CC(=O)OCCc1ccc(O)c(O)c1)[C@@H](C=O)C(=O)OC 2356482422 LTKAHEKEHUYXLZ-HUUCEWRRSA-N 378.377 1.323 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](C)(O)[C@@]13CC[C@@](C)(OO1)[C@@H]23 2356507862 IYQFKOAKCYJYHY-WLKSBDNNSA-N 378.421 1.986 50 1 GDGF CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419739 YVTOOUMNNJSZFB-DJCROIMJSA-N 382.796 1.915 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1C[C@H](O)[C@](C)(OC(=O)C(C)=CC)[C@@]13C=C[C@@](C)(OO1)[C@@H]23 2356508319 UMHHYRUGXILZJB-WLKSBDNNSA-N 376.405 1.762 50 1 GDGF COc1cccc(OC)c1/C=C/C(=O)NC(=S)NNC(=O)Cc1ccccc1 217490816 UOROOEIQCBGAKM-VAWYXSNFSA-N 399.472 1.982 50 1 GDGF Cc1nn(C)c(C(=O)NN)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587881384 LABPQCCDOGMGJV-UHFFFAOYSA-N 394.262 1.349 50 1 GDGF COC1=C/C(=C\NNC(=O)CSc2nnc(C)n2-c2ccccc2)C(=O)C=C1 13122694 AIIXFVIJRGHEOU-SDNWHVSQSA-N 397.460 1.842 50 3 GDGF O=C(CCl)N1CCN(CCN2C(=O)[C@H](Cl)[C@H]2c2cccc(O)c2)CC1 103196969 ALSHXQAKSRCBLE-HZPDHXFCSA-N 386.279 1.266 50 1 GDGF CC1=C(C=O)C[C@H](C)[C@]12CC[C@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2 2356415268 GAPHEKNEWIGEDS-RJFDQEFSSA-N 382.497 1.951 50 1 GDGF O=C(CO[N+](=O)[O-])NNC(=O)c1ccc(-n2nc(O)cc2-c2ccccc2)cc1 48998436 DJYNRDYJFIYYOG-UHFFFAOYSA-N 397.347 1.214 50 1 GDGF COc1cc2c3c(c1)O[C@@]1(C=C(COC(=O)CCl)OCC1=O)[C@@H](C2)C3=O 587423810 WFEUIIIBXXKUOA-SGTLLEGYSA-N 378.764 1.447 50 1 GDGF Cc1cc(C)c(-n2c(O)c(/C=N/NC(=O)c3ccncc3)c(=O)[nH]c2=O)c(C)c1 5732232 KUSBQJOSFISIPL-LSHDLFTRSA-N 393.403 1.316 50 1 GDGF O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1ccc([N+](=O)[O-])cc1 299827553 PBBYHXTYMVRJFU-VIZOYTHASA-N 375.253 1.881 50 1 GDGF Cc1nc[nH]c1C(=O)N/N=C1\S[C@@H](CC(=O)O)C(=O)N1c1ccc(F)cc1 64532131 QYVOXSLDHVMNCP-UTSGGKDNSA-N 391.384 1.481 50 1 GDGF Cc1cc(B(O)O)ccc1[C@@H]1N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962645113 UMWKFZGSUNGRGN-HOTGVXAUSA-N 395.142 1.262 50 1 GDGF O=C(Cn1nnnc1-c1ccc2c(c1)OCO2)N/N=C/c1cccc([N+](=O)[O-])c1 103225685 MZQYECLPHYMSDZ-QGMBQPNBSA-N 395.335 1.127 50 1 GDGF O=C(O)CCCCCCn1cc(N(CCCl)CCCl)c(=O)[nH]c1=O 27109804 RYFJCXZGUNPVNW-UHFFFAOYSA-N 380.272 1.856 50 1 GDGF CC1=NNC(=O)[C@@H]1[C@@H]1C(=O)NN=C(c2c[nH]c3ccccc23)[C@@H]1Br 195497971 CTXDHXWHBFPWLD-RWMBFGLXSA-N 388.225 1.503 50 1 GDGF NNC(=O)c1ccc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1 587202547 JIQXYPNPQVVCOH-OAHLLOKOSA-N 397.391 1.089 50 1 GDGF CC(C)(C)[C@]12C[C@H]3OC(=O)[C@@]4(C[C@@H](Cl)[C@H](Cl)[C@@]34[C@@]13COC(=O)[C@@H]3O)O2 103041031 DKVQUUKNXRIAEI-DTVYOMDJSA-N 391.247 1.378 50 1 GDGF C=C1[C@@H](C[C@H](O)[C@@H]2CC(=O)NC2=O)[C@@]2(C)C[C@@H](Cl)[C@@H](O)C(C)(C)[C@H]2C[C@H]1O 2356594410 UACZEBODXTXUMI-BCIFIFSHSA-N 399.915 1.358 50 1 GDGF CC1=NN(c2ccccc2)C(=O)/C1=C/NNC(=O)[C@H]1COc2ccccc2O1 100547247 XWPXLRVVPZUJIM-HAZIXKIPSA-N 378.388 1.754 50 3 GDGF NNC(=O)c1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587887901 CALNKTJZAONHHY-UHFFFAOYSA-N 377.231 1.702 50 1 GDGF CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(NS(C)(=O)=O)cc2)C(=O)OC1=O 169316801 PEBNHKZWFSDAIG-WQLSENKSSA-N 380.378 1.229 50 1 GDGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)CS(C)(=O)=O 1857561042 IUKJSEDIPIWRGY-REZTVBANSA-N 385.829 1.493 50 1 GDGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)Cc1ccc(O)c(F)c1 618007709 FPJLRPHDYXJAOC-ZDUSSCGKSA-N 390.502 1.675 50 1 GDGF Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C\NCCN1CCOCC1)C=C3C=O 102434432 BMBDKXWZKFXIBJ-QINSGFPZSA-N 394.427 1.686 50 1 GDGF CCCC=CC(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@]13C[C@]21C(=O)O[C@@H]3O 2356517301 FGNPPWFDUWSHQL-BVYYPNMBSA-N 390.432 1.422 50 1 GDGF NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccco2)c(Cl)cc1Cl 15904428 PYZZJTFGTTYUOY-UHFFFAOYSA-N 378.193 1.309 50 1 GDGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@@H](OC)[C@@H](OC(=O)C(C)C)[C@@H]12 238744968 KOSNOBOYWSVACZ-MLMVZGEJSA-N 378.421 1.505 50 1 GDGF CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(=O)NN)cc3)c(F)c2)C(=O)O1 96922453 DXKIOWFNCRZIBL-HNNXBMFYSA-N 386.383 1.558 50 1 GDGF C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccncc3)CC2)c1O 45286328 MLAKSDDYNIQHHW-BUVRLJJBSA-N 393.491 1.784 50 1 GDGF Nc1nc(O)c2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2n1 587009487 HZGMYBIJCBRCGI-NSHDSACASA-N 385.815 1.761 50 1 GDGF C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/CO)CO)C=C(C)[C@]1(OO)CC=C(C)[C@H]21 85582742 RKTXNXWAPMYGJZ-OIECKMMNSA-N 392.404 1.062 50 1 GDGF biogenic,in-vitro CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O 195514555 CJOSHSDHCPNMOJ-ADGXKJENSA-N 381.509 1.050 50 1 GDGF C/C(CC(=O)N1CCN(C=O)CC1)=N/NC(=O)c1cc2ccccc2cc1O 13152165 FEVGHCUIIGYNQW-STZFKDTASA-N 382.420 1.342 50 1 GDGF O=C(Cc1nnc(NC(=O)c2ccccc2)s1)NN/C=C1/C=CC(=O)C(O)=C1 13562417 CYDFMYAGSRYFEU-KHPPLWFESA-N 397.416 1.418 50 3 GDGF O=C(CCl)N1CCN(CCN2C(=O)[C@@H](Cl)[C@H]2c2cccc(O)c2)CC1 103196966 ALSHXQAKSRCBLE-JKSUJKDBSA-N 386.279 1.266 50 1 GDGF CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 169373083 XRACENWIFUNKDF-GCASMJRESA-N 398.839 1.552 50 1 GDGF CCCCC[C@@H]1[C@@H]2C(=O)OC(=O)[C@@]23CC[C@@]12C(=O)OC(=O)[C@@H]2C[C@@H](C)[C@@H]3O 2356755377 GHDBWAUSVJFFHH-OOPVILIESA-N 378.421 1.749 50 1 GDGF O=C(CNS(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1 40892248 PNDPHJDHLZVAON-LICLKQGHSA-N 396.266 1.878 50 1 GDGF O=C(CCCCCCCCCNC(=O)CCl)CC(=O)N[C@H]1CCOC1=O 72114458 FMEFMSUNWVCETI-HNNXBMFYSA-N 388.892 1.853 50 1 GDGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3ccc(F)c(B(O)O)c3)N12 962667447 MZZONFGIJSILRW-GHTZIAJQSA-N 394.211 1.242 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)[C@H](C)CC)[C@H](O)[C@H]12 2356671160 PIWVBLJALGNALB-ZRJZNHTDSA-N 378.421 1.241 50 1 GDGF C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3cccnc3)CC2)c1O 45300794 ZRBFNISUEOSOMN-BUVRLJJBSA-N 393.491 1.784 50 1 GDGF O=C1O[C@](Cc2cc3cc(O)cc(O)c3c(=O)o2)(C(Cl)Cl)C[C@@H]1O 2356456254 WLSIGSTXXIHFIZ-BONVTDFDSA-N 375.160 1.597 50 1 GDGF O=C(CCl)N1CCN(CCN2C(=O)[C@H](Cl)[C@H]2c2ccccc2O)CC1 103196962 UXEONGFWXYXUDH-HZPDHXFCSA-N 386.279 1.266 50 1 GDGF CCCC=COC(=O)[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@]13C[C@]21C(=O)O[C@@H]3O 2356696557 FVKCVIGTXMCNPU-AJVDCDOLSA-N 390.432 1.627 50 1 GDGF CN(C)CCCOc1ccc(/C=N/NC(=O)CCCCCC(=O)NO)cc1 95808266 OPJLLYXOPZJELT-HMMYKYKNSA-N 378.473 1.923 50 1 GDGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3c(F)cccc3B(O)O)N12 962657334 BOFBJOCTYCWEQS-NQIIRXRSSA-N 394.211 1.242 50 1 GDGF CCOC(=O)c1ccc(/N=N/N(C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 95555406 CWYGOBGZBKRJMD-RUWSDDDDSA-N 380.357 1.821 50 1 GDGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](OC)[C@@H](OC(=O)C(C)C)[C@@H]12 238741130 KOSNOBOYWSVACZ-JMSTWJIQSA-N 378.421 1.505 50 1 GDGF CC(C)[C@]1([C@@H](C)Br)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963213246 GSBCUBPZXPKMQQ-HEKSYOIISA-N 395.301 1.802 50 1 GDGF Cc1c(Sc2ccccc2)n(COCCNC(=O)CCCl)c(=O)[nH]c1=O 6520190 UKIFLROMRSLYNQ-UHFFFAOYSA-N 397.884 1.715 50 1 GDGF Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CC3=CC(=O)OC3=O)cc2)no1 43504257 LQMYASGROQJVFE-UHFFFAOYSA-N 391.361 1.122 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](O)[C@H](OC(=O)C(C)=CC)[C@H]12 2356511952 RGDZQGAEJIRTEC-ZJPYXAASSA-N 376.405 1.161 50 1 GDGF C=C1C(=O)O[C@@H]2[C@H]3C(C)=C[C@@H](O)[C@H]3[C@@](O)(CCl)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 13386654 RQLHOJWFBMNYHW-PBDZIAQESA-N 396.867 1.889 50 1 GDGF biogenic,in-vitro C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)N1CC(F)C1 618017539 NAPZWPXEKXMNSM-OCCSQVGLSA-N 377.551 1.737 50 1 GDGF CCCN1C(=O)C(=NNC(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc21 1857770666 RUDSFNURZISDCP-UHFFFAOYSA-N 386.433 1.225 50 1 GDGF Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-] 169690651 HGQFYWSLFXLYSW-RGVLZGJSSA-N 395.375 1.911 50 1 GDGF CCCCC[C@@H]1[C@@H]2C(=O)OC(=O)[C@@]23CC[C@@]12C(=O)OC(=O)[C@@H]2C[C@@H](C)[C@H]3O 2356755376 GHDBWAUSVJFFHH-JICILBAZSA-N 378.421 1.749 50 1 GDGF O=C(CCl)N1CCN(CCN2C(=O)[C@H](Cl)[C@@H]2c2ccccc2O)CC1 103196964 UXEONGFWXYXUDH-CVEARBPZSA-N 386.279 1.266 50 1 GDGF C[C@H]1CC(=O)C2=C(C1)[C@@H](Cl)[C@@H](O)[C@@]1(O)[C@@H](O)c3c(O)cccc3C(=O)[C@H]21 35456201 LYWPTXLFCTXKBJ-KQCBJWNQSA-N 378.808 1.247 50 1 GDGF COc1ccc(C(=O)NCC(=O)NN/C=C2\C=NN=C2c2ccccc2)cc1 15962143 CLVCMLSFBHVPJY-LFIBNONCSA-N 377.404 1.418 50 3 GDGF CCC(=O)Nc1cc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)ccc1O 169336525 HYODRHDECHREBR-FYWRMAATSA-N 376.321 1.407 50 1 GDGF CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)N(P(N)(N)=O)C(=O)N1 84724119 REBAZQUKWAHNIN-CYBMUJFWSA-N 397.328 1.912 50 1 GDGF O=C(NNc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)c1ccncc1 58602957 UCWZPBNBZAUTFY-UHFFFAOYSA-N 392.423 1.604 50 1 GDGF CN(Cc1cccc(B(O)O)c1)c1ccc(C(=O)Nc2ccc(F)cc2)cn1 472918841 SEVMQNKBGRJSPJ-UHFFFAOYSA-N 379.200 1.789 50 1 GDGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccccc3B(O)O)N12 962674638 VTCIZPJAHIXOTL-RXVVDRJESA-N 376.221 1.103 50 1 GDGF O=C(N/N=C/c1ccccc1O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3525173 KIYHPIQBENJARC-CPNJWEJPSA-N 389.433 1.177 50 1 GDGF Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)NN)n1 587885128 BEOPZPLJAYRTLP-UHFFFAOYSA-N 380.235 1.041 50 1 GDGF CCN1C(=O)/C(=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c2ccccc21 102033422 MMHOZUSRRXKPKV-NZGKIOCTSA-N 376.416 1.403 50 3 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C=C(C)C)C[C@](C)(O)[C@@]13CC[C@@](C)(OO1)[C@@H]23 2356713881 UZTVRQCUOHSNPN-WXXFKQLNSA-N 378.421 1.986 50 1 GDGF C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(O)=C/CO)CC(=C)[C@]1(OO)CC=C(C)[C@H]21 238769785 NNGGBEYEJBWSSK-PXUUQBERSA-N 378.377 1.585 50 1 GDGF C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CCl)[C@H]2[C@H]2OC(=C)C(=C)[C@H]12 45496077 PLRNJPRHWFZGAM-IDRKTEQXSA-N 396.867 1.458 50 1 GDGF O=C([C@H]1Cc2ccccc2[C@@H](c2ccc(B(O)O)c(F)c2F)N1)C(F)(F)F 962704868 DPNWFQHAQBKWDT-DOMZBBRYSA-N 385.097 1.380 50 1 GDGF CC(C)[C@]1([C@H](C)Br)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963213252 GSBCUBPZXPKMQQ-PYERRIOISA-N 395.301 1.802 50 1 GDGF O=C(O[C@H]1CSS(=O)(=O)C1)c1ccc(I)cc1 96911551 VZARUACPNRWOMX-VIFPVBQESA-N 384.216 1.893 50 1 GDGF CC(C)(C)[Si](C)(C)O[C@H]1C[C@@]12C(=O)N1[C@@H](C(=O)O)C(C)(C)S(=O)(=O)[C@@H]12 170047080 DLHDQLOBEVYACK-DRFYQUMISA-N 389.546 1.595 50 1 GDGF C/C(=N/NC(=O)C[C@@H]1N=C(Cc2ccccc2)NNC1=O)c1ccc(C)cc1 13136310 UVEHUTYZRFYRBL-JYBCESJWSA-N 377.448 1.870 50 1 GDGF Cc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)Cn2nnnc2-c2ccccc2)cc1 1857588753 DPFICSACTUXDDI-IAGOWNOFSA-N 396.838 1.871 50 1 GDGF C/C(=N\NC(N)=O)c1ccc2ncc([C@@](C)(O)c3ccc4ncccc4c3)n2n1 96169140 SPFLACRPPJLOOJ-VWXZLZIGSA-N 389.419 1.926 50 1 GDGF O=C([C@H]1Cc2ccccc2[C@]2(CCCc3ccc(B(O)O)cc32)N1)C(F)(F)F 962761913 ICIACTLXQLRNBT-MJGOQNOKSA-N 389.182 1.592 50 1 GDGF O=C([C@@H]1Cc2ccccc2[C@@H](c2ccc(B(O)O)c(F)c2F)N1)C(F)(F)F 962704871 DPNWFQHAQBKWDT-WFASDCNBSA-N 385.097 1.380 50 1 GDGF Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(CCCBr)c1=O 29393639 GVYNLPHKOWHHJO-GMTAPVOTSA-N 388.222 1.062 50 1 GDGF COc1nc(=NCc2ccccc2)nc([N+]23CC[N+](CCCl)(CC2)CC3)[nH]1 1857770472 NEDWHNPJZDHNPQ-UHFFFAOYSA-N 390.919 1.304 50 1 GDGF C=C(C)C(=O)O[C@@H]1/C=C(\C=O)[C@H](OC)CCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 13585318 JYJDQGQWAQKPAO-FLTPFCGOSA-N 376.405 1.423 50 1 GDGF in-vivo C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](C(=C)C=O)[C@](C)([C@@H]1CO1)[C@@H]2OC(=O)C(C)=CC 2356413122 NXPOIAZRKHEBBW-OQBQGGJQSA-N 376.405 1.113 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](C(=C)C=O)[C@](C)([C@@H]1CO1)[C@H]2OC(=O)C(C)=CC 2356413124 NXPOIAZRKHEBBW-WPZPEQEVSA-N 376.405 1.113 50 1 GDGF CCCC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O 170184719 JBGDTCWHDBCIPT-MSOLQXFVSA-N 383.257 1.526 50 1 GDGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2c(O)nc(O)nc2[nH]1 587009786 SPSGWBDFDLCVHL-NSHDSACASA-N 386.799 1.884 50 1 GDGF CC(C)(C)[C@@H]1C[C@H]2OC(=O)[C@]34C[C@@H](Cl)[C@H](Cl)[C@]23[C@@]12[C@@H](OC(=O)[C@@H]2O)O4 28757510 AHTCCGZPYMLWRO-PVBVMJAMSA-N 391.247 1.582 50 1 GDGF O=NN(CCCl)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCl 28231542 BPQJXASDIPKKRL-LBPRGKRZSA-N 377.228 1.590 50 1 GDGF NNC(=O)c1cc(-c2ccccc2)nn1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 40936691 JUWFKIKDJZJFCG-OAHLLOKOSA-N 397.391 1.502 50 1 GDGF CCNC(=S)NNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CC 1772612535 CBVLYVVAHHNYBM-UHFFFAOYSA-N 399.567 1.702 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](O)(CCl)[C@@H]1[C@H](O)C=C(C)[C@H]21 2356593638 RQLHOJWFBMNYHW-IFBNNOTLSA-N 396.867 1.889 50 1 GDGF CCN(CC)Cc1nc(C2(NC(=O)[C@@H]3CC(=O)N[C@H](Cl)C3)CCCC2)no1 618015036 QPUFZHYMDUDAJP-STQMWFEESA-N 397.907 1.888 50 1 GDGF O=C(c1ccc2nc(/C=C/CBr)[nH]c2c1)N1CCN(CCO)CC1 586974669 YEGICLKUIZNMRU-OWOJBTEDSA-N 393.285 1.721 50 1 GDGF CCn1cc(C(=O)N/N=C2\C(=O)N(O)c3ccccc32)c(=O)c2ccc(C)nc21 64261557 OFLUVGYQDXLVNH-JWGURIENSA-N 391.387 1.595 50 1 GDGF O=C(Nc1ccc(F)cn1)c1ccc(SCc2ccccc2B(O)O)nc1 261086442 CQAOKXRBQNAENA-UHFFFAOYSA-N 383.213 1.840 50 1 GDGF CC1=NC=C(CO)/C(=C/NNC(=O)c2cc(Br)ccc2O)C1=O 104000945 LGABVPYHPKYXEI-SDQBBNPISA-N 380.198 1.193 50 3 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(O)=CCO)C=C(C)[C@]1(OO)CC=C(C)[C@H]21 2356667555 WSRFTQCEQNYNFO-PPLBCVRQSA-N 378.377 1.585 50 1 GDGF CN1C(=O)C[C@H]2CN[C@](c3ccccc3)(c3ccc(B(O)O)cc3)c3cccc1c32 963030131 PTVZRLAYYNCIOM-UPCLLVRISA-N 398.271 1.712 50 1 GDGF CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 17119665 XRACENWIFUNKDF-PWDSHUSXSA-N 398.839 1.552 50 1 GDGF C=C1C[C@H](OC(=O)C=CC)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](O)[C@]2(O)CCl 2356646463 DEOAEBOOLNZVLW-QELQHLIHSA-N 382.840 1.499 50 1 GDGF Cc1ccc(S(=O)(=O)NNC(=O)c2nnn(Nc3ccccc3)c2C)cc1 66076384 MYNYSYDYIOHHFS-UHFFFAOYSA-N 386.437 1.393 50 1 GDGF C[C@@H]1CC(=O)C2=C(C1)[C@@H](Cl)[C@@H](O)[C@@]1(O)[C@@H](O)c3c(O)cccc3C(=O)[C@H]21 35456204 LYWPTXLFCTXKBJ-MHSBGDRFSA-N 378.808 1.247 50 1 GDGF CCS(=O)(=O)OCCN1[C@@H](OO)CCO[P@@]1(=O)N(C)CCCl 169318979 MMKANHZFUUMBPU-CWKPULSASA-N 380.787 1.169 50 1 GDGF C[C@]12C[C@@H](O)[C@H]3[C@@H](C[C@H](Cl)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO 26990579 YPALCUPIOICVHI-FUHFQSMCSA-N 394.895 1.775 50 1 GDGF CC[C@@H](NC1=C(N=C2C=CC=C(C#N)C2=O)N[S@](=O)N1)c1cc(C)c(C)o1 2356705112 VSMDVDYFVQVZLC-PFUSGODGSA-N 385.449 1.865 50 1 GDGF CN1C(=O)C[C@H]2CN[C@@](c3ccccc3)(c3ccc(B(O)O)cc3)c3cccc1c32 963029254 PTVZRLAYYNCIOM-FYSMJZIKSA-N 398.271 1.712 50 1 GDGF CCO[C@]1(OC)C(Br)=C[C@]2(O)CC(=O)O[C@H]2[C@H]1Br 2356416966 METYCVPWPKHKRD-VPOLOUISSA-N 386.036 1.468 50 1 GDGF CN1CCN(c2ccc3nc(CCNC(=O)CBr)[nH]c3c2)CC1 586970987 JRFKJEWWOCZKHT-UHFFFAOYSA-N 380.290 1.368 50 1 GDGF COC(=O)CON=C(C(=O)O)[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587374558 YTNSQXAVRDVRPM-INIZCTEOSA-N 384.772 1.150 50 1 GDGF O=C(COc1ccc(C(=O)c2ccccc2)cc1)NNC(=O)c1ccc(=O)oc1 1857770132 MRLLEFBBTTZMQJ-UHFFFAOYSA-N 392.367 1.711 50 1 GDGF Cn1cc(CC(=O)N/N=C2\C(=O)Nc3c(Cl)ccc(Cl)c32)ccc1=O 72181763 GBIVSOIQNFOZMV-UHFFFAOYSA-N 379.203 1.707 50 1 GDGF NNC(=O)c1cc(-c2ccccc2)nn1C[C@H](O)COc1ccc([N+](=O)[O-])cc1 40936689 JUWFKIKDJZJFCG-HNNXBMFYSA-N 397.391 1.502 50 1 GDGF O=C(O)c1cc([C@@]2(CCl)N[C@H](C(=O)O)Cc3cccc(F)c32)c([N+](=O)[O-])[nH]1 962905024 OKIDDDTUXMGIGE-MEDUHNTESA-N 397.746 1.842 50 1 GDGF NNC(=O)c1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587184369 ITSJTYTUWZAZHN-UHFFFAOYSA-N 379.161 1.833 50 1 GDGF CN(C)CCSSCCNC(=O)[C@H](CO)N(C)C(=O)OC(C)(C)C 618008861 MHFBVCYXPWRDMC-LBPRGKRZSA-N 381.564 1.273 50 1 GDGF CC=C(C=O)[C@H](CC(=O)OCCc1ccc(O)c(O)c1)[C@@H](C=O)C(=O)OC 2356482423 LTKAHEKEHUYXLZ-LSDHHAIUSA-N 378.377 1.323 50 1 GDGF COc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N/N=C/c2ccco2)cc1 45335420 SAROACGSHHCNNE-CBVHTYNASA-N 381.392 1.503 50 1 GDGF COc1ccc(-n2nc(C(=O)NN)nc2-c2cc(OC)c(OC)c(OC)c2)cc1 169312045 ULUUFXBUHWSMEM-UHFFFAOYSA-N 399.407 1.572 50 1 GDGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(F)F 618018329 XGRJSIZIHWRCQL-NEPJUHHUSA-N 383.530 1.938 50 1 GDGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cc(F)cc(B(O)O)c2)N1 962966667 MTMKXDBHMUSRKT-SWLSCSKDSA-N 385.534 1.125 50 1 GDGF COc1ccc(CCc2cc(=O)c3c(o2)[C@H](Cl)[C@H](O)[C@@H](O)[C@H]3O)cc1O 2356729605 VDGFKYPRROFDLY-QZWWFDLISA-N 382.796 1.188 50 1 GDGF O=C(CCN1CCN(c2ccccc2)CC1)NN/C=C1\C=CC(=O)C(O)=C1O 13120561 XVTSBZAYTPRMPH-CCEZHUSRSA-N 384.436 1.170 50 3 GDGF C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1cccc(O)c1 71294359 MRLQDUSSMBAZMC-YBFXNURJSA-N 387.417 1.793 50 1 GDGF C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(N[C@@H]3C[C@H]4CC[C@H]3C4)ncnc21 253666467 KJRVCYQOURUJNS-OTWQCWKKSA-N 393.875 1.675 50 1 GDGF Cc1cc(B(O)O)ccc1[C@@H]1N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962645109 UMWKFZGSUNGRGN-CVEARBPZSA-N 395.142 1.262 50 1 GDGF O=[n+]1[nH]c2c(I)cnn2c2cc(OCCCl)ccc21 377819852 IQKBVVCOTNOFTQ-UHFFFAOYSA-N 391.576 1.952 50 1 GDGF C=C1[C@@H](O)C[C@H]2C(C)(C)[C@@H](O)[C@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O 40861634 UACZEBODXTXUMI-VVHTYQJQSA-N 399.915 1.358 50 1 GDGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](OC(=O)[C@H](C)CC)[C@@H](O)[C@@H]12 238751413 PIWVBLJALGNALB-QODSFXCKSA-N 378.421 1.241 50 1 GDGF C/C=C/C(=O)NNC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 103293780 HIXDONRHNAVRSE-LYKUJDHUSA-N 375.410 1.111 50 1 GDGF C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(N[C@H]3C[C@H]4CC[C@@H]3C4)ncnc21 40406679 KJRVCYQOURUJNS-SPOFHDJASA-N 393.875 1.675 50 1 GDGF O=C(COc1ccc2ccc(=O)oc2c1)NN=C1C(=O)Nc2ccc(F)cc21 1857562991 XDPRLYVDLZVFOF-UHFFFAOYSA-N 381.319 1.784 50 1 GDGF NS(=O)(=O)c1ccc(C(=O)NN=C2C(=O)Nc3ccc(Cl)cc32)cc1 1857649388 KYGSCLFHNXEJAW-UHFFFAOYSA-N 378.797 1.074 50 1 GDGF CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)c1ccc(C(=O)NO)cc1 95808402 AQXLCXCDLTXIEO-YRIIZNAFSA-N 376.413 1.921 50 1 GDGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cc(F)cc(B(O)O)c2)N1 962966662 MTMKXDBHMUSRKT-DOMZBBRYSA-N 385.534 1.125 50 1 GDGF C=C(C)[C@@H](NC1=C(N=C2C=CC=C(C#N)C2=O)N[S@@](=O)N1)c1ccc(C)o1 2356670470 PLUHWNMLYXUZPJ-YVORESIASA-N 383.433 1.723 50 1 GDGF CC(=O)O[C@@H]1C=C(C=O)[C@](O)(C(=O)O)[C@]2(C)[C@H](OC(C)=O)CCC(C)(C)[C@@H]12 2356781616 BMWBMNGRDVKNHG-TZNWLIJBSA-N 382.409 1.247 50 1 GDGF CC(C)(C)[Si](C)(C)O[C@H]1/C(=C/C#N)[C@H](n2ccc(=O)[nH]c2=O)O[C@H]1CO 195502353 SVYVVRNFTSBWJQ-AFUGTUOKSA-N 379.489 1.267 50 1 GDGF N=C(N)Nc1cccc(C(=O)NNC(=O)C[C@H](CC(=O)O)c2ccccc2)c1 13862954 DRUNAOKZTXRPSQ-CQSZACIVSA-N 383.408 1.402 50 1 GDGF COc1ccc(/C=N/NC(=O)Cn2nnnc2-c2ccc3c(c2)OCO3)cc1 103225665 FOYNYOWNIOLEHU-DJKKODMXSA-N 380.364 1.228 50 1 GDGF CCCC[C@]1(c2ccc(B(O)O)c(C)c2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963469738 KIFYJNDBWUCCDP-SIKLNZKXSA-N 397.280 1.722 50 1 GDGF O=C(Cn1nnc(/C=C/c2ccccc2)n1)N/N=C/c1ccc([N+](=O)[O-])cc1 1857557156 JUCFDJBBANKDET-GGNBMFIYSA-N 377.364 1.902 50 1 GDGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 106611832 KZJNKSIORXDWKH-QODSFXCKSA-N 378.421 1.241 50 1 GDGF biogenic CC(=O)NC[C@H]1CN(c2ccc(N3CCC(=C(C#N)C#N)C3)c(F)c2)C(=O)O1 38896414 PDNHJHPPDNOSER-INIZCTEOSA-N 383.383 1.841 50 1 GDGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccccn2)CC1 618008640 IXQMRLRNUXUOEA-UHFFFAOYSA-N 396.582 1.993 50 1 GDGF Cc1c(O)ccc2c1[C@@](c1ccc(B(O)O)cc1)(C1CCCC1)N[C@H](C(=O)O)C2 963505964 DDGHLHQRATVKRT-AVRDEDQJSA-N 395.264 1.413 50 1 GDGF C=C(C)[C@H](NC1=C(N=C2C=CC=C(C#N)C2=O)N[S@@](=O)N1)c1ccc(C)o1 2356670467 PLUHWNMLYXUZPJ-KUNJGFBQSA-N 383.433 1.723 50 1 GDGF O=C1C([N+](=O)[O-])=CC=C/C1=C\NNC(=O)C(O)(c1ccccc1)c1ccccc1 13119208 AATLCVKMIIGDGL-CCEZHUSRSA-N 391.383 1.727 50 3 GDGF COc1ccc(Cn2cc(C(=O)NN=C3C(=O)Nc4ccccc43)nn2)cc1 1857587253 VENXLYHUIAPRCF-UHFFFAOYSA-N 376.376 1.421 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@@](C)(O)[C@@]13CC[C@@](C)(OO1)[C@@H]23 2356507860 IYQFKOAKCYJYHY-CXXOJBQZSA-N 378.421 1.986 50 1 GDGF CN(Cc1ccccc1B(O)O)c1ncc(C(=O)Nc2ccc(F)cc2)cn1 472918845 WEQNXDBEVJEMIM-UHFFFAOYSA-N 380.188 1.184 50 1 GDGF CC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(C=O)C[C@]4(O)C(=O)C(C)=C[C@H]43)[C@@H]1C2(C)C 34613590 RBAKUBXTGCEYKA-HXGSDTCMSA-N 388.460 1.737 50 1 GDGF N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@@H]1/N=C/c1ccc([N+](=O)[O-])cc1 103210955 JRJGIIAILWFKNF-MULLOCEMSA-N 383.408 1.248 50 1 GDGF N[C@@](CCCCB(O)O)(C(=O)O)C1CCN(Cc2ccc(Cl)cc2)CC1 170188852 GCGHKHBJSWJMRB-GOSISDBHSA-N 382.697 1.977 50 1 GDGF CC(C)CC(=O)O[C@@H]1C(=O)[C@]2(C)O[C@@H]2C[C@H]1[C@]1(C(=O)C=CC(C)(C)OO)CO1 2356415918 BHBBEGXGAAULIM-GDOLHHRKSA-N 396.436 1.853 50 1 GDGF CC(=O)O[C@@H]1C=C(C=O)[C@](O)(C(=O)O)[C@]2(C)[C@@H](OC(C)=O)CCC(C)(C)[C@@H]12 2356781615 BMWBMNGRDVKNHG-MXQZZYIMSA-N 382.409 1.247 50 1 GDGF COc1cc(/C=N/NC(=O)CCc2nc(O)c3ccccc3n2)cc(O)c1O 299856483 JAHUMRIFXNBZKK-KEBDBYFISA-N 382.376 1.838 50 1 GDGF NNC(=O)c1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 587193642 NUUNAJNHTDPOFR-UHFFFAOYSA-N 381.436 1.686 50 1 GDGF CC1=C(C#N)C(=O)NC(=O)/C1=N\Nc1ccc(Br)cc1C(=O)O 100544188 RLELZKAYMYXQMK-ODLFYWEKSA-N 377.154 1.412 50 3 GDGF C=C1CC[C@H](O)[C@]2(C)C=CC(=O)[C@H](C)[C@@H]2[C@H](O)[C@]2(O)[C@H](C)C(=O)O[C@@H]2[C@@H]1Cl 2356790539 FRUVMLCGTZBETH-YSPVKLQXSA-N 398.883 1.356 50 1 GDGF CN(Cc1ccc(B(O)O)cn1)c1ccc(C(=O)Nc2ccc(F)cc2)cn1 472918838 OIJWWUGMTYAYOL-UHFFFAOYSA-N 380.188 1.184 50 1 GDGF O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OS(=O)(=O)CCCCl)cccc21 29242150 JZWOCEXYKPMIBP-UHFFFAOYSA-N 396.852 1.246 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@@](C)(O)[C@@]13CC[C@@](C)(OO1)[C@H]23 2356507861 IYQFKOAKCYJYHY-JVAXSNDZSA-N 378.421 1.986 50 1 GDGF COc1ccccc1OC[C@H](O)Cn1nc(-c2ccccc2)cc1C(=O)NN 40414216 RSCJBMHLGKULMJ-OAHLLOKOSA-N 382.420 1.602 50 1 GDGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCl)c1c(O)nc(=O)n(C)c1N 963630088 BKWGFWLSRSQKTJ-LZVRBXCZSA-N 394.859 1.102 50 1 GDGF O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(-n2cc(F)cn2)c1 1857541487 HKDHQUPSXZZMKS-UHFFFAOYSA-N 378.360 1.774 50 1 GDGF C=C(C)C(=O)O[C@@H]1[C@H](OCC)C(C=O)=CCCC(CO)=C[C@H]2OC(=O)C(=C)[C@@H]12 2356653757 JSCXGQXFCTYXGO-MKXGPGLRSA-N 390.432 1.815 50 1 GDGF O=C1O[C@@](Cc2cc3cc(O)cc(O)c3c(=O)o2)(C(Cl)Cl)C[C@@H]1O 2356456256 WLSIGSTXXIHFIZ-ZUZCIYMTSA-N 375.160 1.597 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](C(=C)C=O)[C@](C)([C@H]1CO1)[C@@H]2O 2356389891 KHETWGVZAJUMQY-TWGIYTNFSA-N 376.405 1.113 50 1 GDGF CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@@H]2OC(=O)[C@@H](C)[C@@H]12 2356475631 KDARIUDGXONUBS-MWBQHHGNSA-N 378.421 1.842 50 1 GDGF OB(O)c1cc([C@@H]2NCCc3ccc(O)cc32)ccc1OCc1ccccc1 963339989 DHCOQLDIKKFTIU-QFIPXVFZSA-N 375.233 1.886 50 1 GDGF NS(=O)(=O)c1ccc(/N=C2\NC[C@@H](CI)S2)cc1 1649992 WYATYSZFAKQDTL-MRVPVSSYSA-N 397.263 1.462 50 1 GDGF O=C(N/N=C/c1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1 6673872 UXHMJZXJEZMNSO-SFQUDFHCSA-N 379.463 1.533 50 1 GDGF CN1CCN(c2ncnc3c2ncn3[C@H]2C[C@@H]3[C@@H](Cl)C[C@H]2[C@H]3CO)CC1 103232008 AOEDYCVKZHBCDV-YTFOTSKYSA-N 376.892 1.375 50 1 GDGF C=C1C[C@H](OC(=O)C(=CCO)CO)[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC[C@@H]1OO 2356427369 XKKROPUZCIUQMV-XWTMOSNGSA-N 394.420 1.452 50 1 GDGF CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587419741 YVTOOUMNNJSZFB-PSZVPEGOSA-N 382.796 1.915 50 1 GDGF CN1C(=O)C[C@@H]2CN[C@](c3ccccc3)(c3ccc(B(O)O)cc3)c3cccc1c32 963030134 PTVZRLAYYNCIOM-VOIUYBSRSA-N 398.271 1.712 50 1 GDGF COc1ccc(CCc2cc(=O)c3c(o2)[C@H](Cl)[C@H](O)[C@@H](O)[C@@H]3O)cc1O 2356729604 VDGFKYPRROFDLY-NCOADZHNSA-N 382.796 1.188 50 1 GDGF Cc1cccc([C@@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2cccnc2)c1 195469561 SEJYVFOLVLKPTH-MOPGFXCFSA-N 397.284 1.794 50 1 GDGF C=C(C)C(=O)O[C@@H]1[C@H](OC)C(C=O)=CCCC(CO)=C[C@@H]2OC(=O)C(=C)[C@H]21 2356391446 WQCKGEIRROZIBA-MLHJIOFPSA-N 376.405 1.425 50 1 GDGF CCS(=O)(=O)OCCN1[C@H](OO)CCO[P@]1(=O)N(C)CCCl 299846942 MMKANHZFUUMBPU-LADRHHBVSA-N 380.787 1.169 50 1 GDGF COc1ccc(O)c(C(=O)NNC(=O)c2cc3cccc(OC)c3oc2=O)c1 1857534793 NYQREEVOYKWEJT-UHFFFAOYSA-N 384.344 1.591 50 1 GDGF COc1ccccc1OC[C@@H](O)Cn1nc(-c2ccccc2)cc1C(=O)NN 40414219 RSCJBMHLGKULMJ-HNNXBMFYSA-N 382.420 1.602 50 1 GDGF CCOC(=O)[C@]1(NC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1(C)C 84653485 MJWZNSPFIRBVMY-GOSISDBHSA-N 379.413 1.380 50 1 GDGF COc1nc(=Nc2ccccc2)nc([N+]23CC[N+](CCCl)(CC2)CC3)[nH]1 1857773828 HEIVPEFXVHIKSC-UHFFFAOYSA-N 376.892 1.436 50 1 GDGF C=C1C[C@@H](OC(=O)/C(=C/CO)CO)[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\C)CC[C@H]1OO 238750345 XKKROPUZCIUQMV-CMRJZLKGSA-N 394.420 1.452 50 1 GDGF biogenic CCCCCCNC(=O)c1ccc(C(=O)NNC(=O)c2nccnc2N)cc1 1857754738 YMDSZDDWQRAFSV-UHFFFAOYSA-N 384.440 1.444 50 1 GDGF Cc1cc(C)n(CC(=O)NN/C=C2\C=C(Br)C=C([N+](=O)[O-])C2=O)n1 15953255 VPBQMQYBRMXSSB-UXBLZVDNSA-N 396.201 1.027 50 3 GDGF CCN1C(=O)/C(=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c2ccccc21 103762110 MMHOZUSRRXKPKV-XCGDWGQMSA-N 376.416 1.403 50 3 GDGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O 195514559 CJOSHSDHCPNMOJ-NYMYIZQJSA-N 381.509 1.050 50 1 GDGF CN(C)CCSSCCn1cc(CN2C(=O)C(=O)c3ccccc32)nn1 618012530 MTKCRMPZFGMVHR-UHFFFAOYSA-N 391.522 1.951 50 1 GDGF Cc1nc(C(=O)NNC(=O)[C@@H](N)Cc2c[nH]cn2)cc2c1[nH]c1ccccc12 73141229 SHWFEYRKWVVLEE-AWEZNQCLSA-N 377.408 1.079 50 1 GDGF CCO[C@@]1(OC)C(Br)=C[C@@]2(O)CC(=O)O[C@H]2[C@@H]1Br 238755824 METYCVPWPKHKRD-MMWGEVLESA-N 386.036 1.468 50 1 GDGF CC1(C)CNC2=C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccc(F)cc43)C(C#N)=C(N)N2C1 653703952 OZQJWYBNHZBRBX-SFHVURJKSA-N 384.371 1.100 50 1 GDGF Cc1cc(B(O)O)cc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1F 962731792 UPDPACZRVVVYGP-GOEBONIOSA-N 381.134 1.549 50 1 GDGF C=CCN1C(=O)C(=NNC(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc21 1857648259 NKGNOGILPNSOIV-UHFFFAOYSA-N 384.417 1.001 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)CC=C(C)O)C=C(C=O)CCC[C@@]1(CO1)[C@@H]2O 2356481301 KURZDPLIQTTXNZ-DRWJQLDWSA-N 392.404 1.287 50 1 GDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC)[C@@H](OC(=O)C(C)C)[C@H]12 2356623715 KOSNOBOYWSVACZ-BDXSIMOUSA-N 378.421 1.505 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1C[C@H](OC(=O)C(C)=CC)[C@](C)(O)[C@]1(OO)C=C[C@](C)(O)[C@@H]21 2356690339 TXADFCZCUCIAJZ-OPXKYWMESA-N 394.420 1.282 50 1 GDGF O=C(CNC(=O)c1ccccc1)NN/C=C1\C=C(Br)C=CC1=O 13122271 LYWXFTFTTXKNBA-FMIVXFBMSA-N 376.210 1.339 50 3 GDGF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(C(=O)NN)cc3[nH]2)cc1 586940739 DXERAJRYCFVQGB-CMDGGOBGSA-N 385.449 1.565 50 1 GDGF CC1=Nc2ccccc2/C1=C/NNC(=O)CNC(=O)c1ccc2c(c1)OCO2 103993486 HCZNDIFTDDUVTJ-OQLLNIDSSA-N 378.388 1.913 50 3 GDGF C/C=C(/C=O)[C@H](CC(=O)OCCc1ccc(O)c(O)c1)/C(=C/O)C(=O)OC 238764506 QIIVCNGZTQBIJG-QOUWVSJPSA-N 378.377 1.950 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1C[C@H](O)[C@](C)(OC(=O)/C(C)=C/C)[C@@]13C=C[C@@](C)(OO1)[C@@H]23 257555272 UMHHYRUGXILZJB-CVEYJJEJSA-N 376.405 1.762 50 1 GDGF endogenous,in-man COc1ccc2c(c1)[C@@]1(NC[C@H]3CC(=O)N(C)c4cccc1c43)C(C=O)=C(N)O2 963024346 MTLXFFBTTHDPHO-VERVWZFWSA-N 391.427 1.754 50 1 GDGF COc1ccc(OCC(=O)N/N=C\c2ccc(OC)c(OC)c2C(=O)O)cc1 15979763 WNCJOZQZOVMYSU-JMIUGGIZSA-N 388.376 1.940 50 1 GDGF C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccco1 15905782 MNKPPPQRDMQANZ-GRSHGNNSSA-N 378.352 1.647 50 1 GDGF C=CCN(N=O)C(=O)NCCC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 5663254 JARIZQCIPSZURJ-MRXNPFEDSA-N 375.429 1.467 50 1 GDGF C/C(=N\NC(N)=O)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1 68248449 ZNRBUARCMRFUKP-NUGSKGIGSA-N 396.361 1.934 50 1 GDGF Cc1cc(OO)c(CO)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)[C@@H](O)OC3=O 2356521984 SVGOQPVFXAAWKT-SFHVURJKSA-N 390.300 1.839 50 1 GDGF COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@@H](OC)[C@H](O)C3=CC[N+](CCl)(C2)[C@H]31 238777317 RPTSKQLZQCOURX-KGYAFDDHSA-N 382.864 1.373 50 1 GDGF Cc1ccc([C@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2cnccn2)cc1 195267696 WXSNSXSTOXJAHD-WMZOPIPTSA-N 398.272 1.189 50 1 GDGF NNC(=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 586920399 PHEZQDRDSDOVQI-UHFFFAOYSA-N 375.366 1.049 50 1 GDGF CC=C(C=O)[C@H](CC(=O)OCCc1ccc(O)c(O)c1)C(=CO)C(=O)OC 2356681332 QIIVCNGZTQBIJG-AWEZNQCLSA-N 378.377 1.950 50 1 GDGF N[C@@](CCCC[B-](O)(O)O)(C(=O)O)C1CCN(Cc2ccc(Cl)cc2)CC1 205772097 ZRLSZURFUKVIRB-GOSISDBHSA-N 399.704 1.420 50 1 GDGF in-vitro C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)[C@](C)(OC(=O)/C(C)=C/C)[C@]13C=C[C@](C)(OO1)[C@@H]23 100783181 UMHHYRUGXILZJB-KIAAAXMTSA-N 376.405 1.762 50 1 GDGF endogenous,in-man CN(Cc1ccccc1B(O)O)c1ccc(C(=O)Nc2ccc(F)cc2)cn1 200185973 BJYSIZPQBHWCMT-UHFFFAOYSA-N 379.200 1.789 50 1 GDGF CCn1cc(C(=O)N/N=C2\C(=O)N(C)c3ccccc32)c(=O)c2ccc(C)nc21 64437772 JLIOKACQNQMMIN-QJOMJCCJSA-N 389.415 1.835 50 1 GDGF O=C(CCl)N1CCN(CCN2C(=O)[C@@H](Cl)[C@@H]2c2ccc(O)cc2)CC1 103195419 LIMCBKDIRYSUBP-HOTGVXAUSA-N 386.279 1.266 50 1 GDGF CC(=O)C1=C(O)/C(=C(\O)Nc2ccc(O)c(NC(=O)C(C)C)c2)C(=O)OC1=O 169336526 DTHRGJCNCLKCQX-DTQAZKPQSA-N 390.348 1.653 50 1 GDGF C=C(C(=O)C=CC(C)(C)OO)[C@@H]1C[C@H](O)[C@@](C)(O)C(=O)[C@@H]1OC(=O)CC(C)C 2356589054 QTXRYOLCFIXJOO-BQCJVYABSA-N 398.452 1.595 50 1 GDGF C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@@](C)(O)[C@]1(OO)C=C[C@@](C)(O)[C@H]21 138824780 TXADFCZCUCIAJZ-HNURMNRQSA-N 394.420 1.282 50 1 GDGF COc1cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)ccc1OCC(=O)NC(C)C 587226655 WTKLZQTYYVPJFA-UHFFFAOYSA-N 397.435 1.745 50 1 GDGF CC(C)CC(=O)O[C@@H]1C(=O)[C@]2(C)O[C@@H]2C[C@@H]1[C@@]1(C(=O)C=CC(C)(C)OO)CO1 2356415921 BHBBEGXGAAULIM-RQWSGRKOSA-N 396.436 1.853 50 1 GDGF O=C(O[C@H]1C[C@H]2[C@@H]3O[C@@H]3[C@@H](C1)N2CBr)[C@H](CO)c1ccccc1 2356576336 WRLNTYOXEQJCFT-FWXGHANASA-N 382.254 1.641 50 1 GDGF O=C(NNc1nc(Nc2ncccn2)nc(N2CCCCC2)n1)c1ccncc1 58582894 SURKEHCRHNJFLQ-UHFFFAOYSA-N 392.427 1.547 50 1 GDGF COc1ccc(O)c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)B(O)O)c1 1857559476 RWIGGKZXOHMKKL-RDJZCZTQSA-N 394.277 1.088 50 1 GDGF CN(C)c1ccc(/C=N/[C@H]2C(C#N)=C3CCCN3[C@]2(O)N2CCOCC2)cc1 103210969 YCOTUOBHDZUKJJ-ZWFPEHDYSA-N 381.480 1.405 50 1 GDGF COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC[C@H]3OC(=O)CCl)C1=O 40640240 MXVZTHDMJSVWBG-SECBINFHSA-N 396.783 1.610 50 1 GDGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cc(C(F)(F)F)ccc2B(O)O)N1 962892916 FKHDMEDQTODHDY-DZGCQCFKSA-N 383.106 1.213 50 1 GDGF C/C(CC(=O)c1ccccc1)=N\[C@H]1C(C#N)=C2CCCN2[C@@]1(O)N1CCOCC1 169302223 MOJUUSOKNFOBBM-XHVIPINXSA-N 394.475 1.954 50 1 GDGF NS(=O)(=O)c1ccc(NNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 13835312 VCLXOPWIQCJANI-UHFFFAOYSA-N 381.282 1.786 50 1 GDGF C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1)c1ccc(F)cc1 1857636319 SJBDBEBYJSEVPN-VXLYETTFSA-N 375.381 1.885 50 1 GDGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cnc[nH]2)C1 618008264 WKLJFMQNKHUUPZ-ZDUSSCGKSA-N 385.559 1.321 50 1 GDGF CC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1 13612899 HOGVORDULJMFIY-UHFFFAOYSA-N 376.394 1.003 50 1 GDGF C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@H]2[C@@H](O)C(=C)CCC=C(C=O)[C@H]1OC 2356460176 LQWAJKFPTTWLRD-AVEIZBFRSA-N 376.405 1.423 50 1 GDGF O=C(O)C(=O)N[C@@H](CSSc1ccccc1Br)C(=O)O 84758536 TZOGDNPFCHJAAI-ZETCQYMHSA-N 380.241 1.843 50 1 GDGF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C(=O)NN)ccn1 587868736 QVKVDPVSUNDDGV-UHFFFAOYSA-N 378.314 1.960 50 1 GDGF O=C(O)[C@@H]1CCS[C@H](CCO[P@@](=O)(NCCl)NCCCl)N1 1857758217 LKMPHDNUCYFGFJ-PKPDKRHSSA-N 380.234 1.621 50 1 GDGF COc1ccc2o/c(=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c(C(N)=O)cc2c1 1957020 PCHBTTVVXZHSMM-UZYVYHOESA-N 382.332 1.694 50 1 GDGF C[C@H](Oc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1)C(=O)NN 962904974 WGAZOTLSHJGCRQ-QUGJLEDBSA-N 387.411 1.445 50 1 GDGF CN(C)CCSSCCCNC(=O)[C@H](CO)N(C)C(=O)OC(C)(C)C 618009262 USRVEEQCTYXLPS-ZDUSSCGKSA-N 395.591 1.664 50 1 GDGF NNC(=O)c1ccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587202648 KKGBUXKLXMMIFD-HNNXBMFYSA-N 397.391 1.609 50 1 GDGF CN[P@@](=O)(CCl)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-] 102906079 MMCXKFDDKZPECF-NONBXDIHSA-N 392.740 1.437 50 1 GDGF Cc1cc(B(O)O)ccc1[C@H]1N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962645114 UMWKFZGSUNGRGN-HZPDHXFCSA-N 395.142 1.262 50 1 GDGF CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@@H]2OC(=O)[C@@H](C)[C@H]12 2356475629 KDARIUDGXONUBS-HLJXZVOVSA-N 378.421 1.842 50 1 GDGF O=C(CCl)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 27315867 AAWYGPCNIRWCBT-JQWIXIFHSA-N 383.807 1.867 50 1 GDGF CC(=O)C1=C(O)/C(=C(\C)Nc2cccc(NS(C)(=O)=O)c2)C(=O)OC1=O 169316800 USPPWBPIURYHBA-WQLSENKSSA-N 380.378 1.229 50 1 GDGF C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1ccccc1O 102845670 UQIATHSNKXHPAK-YBFXNURJSA-N 387.417 1.793 50 1 GDGF C=C1C[C@H](OC(=O)C=CC)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@@H](O)[C@@]2(O)CCl 2356646465 DEOAEBOOLNZVLW-YWPBSVADSA-N 382.840 1.499 50 1 GDGF COCCCN1CCc2ccc(OC)cc2[C@]1(c1ccc(B(O)O)cc1)C1CC1 961316899 DFPFBYCYZIRXRX-HSZRJFAPSA-N 395.308 1.923 50 1 GDGF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](NNC(N)=O)[C@H]2C)OCO4)c1O 105521062 JAONDLJNKHLARC-DNPYPDJRSA-N 387.392 1.789 50 3 GDGF O[C@@H]1[C@H](CCl)O[C@H](n2cnc3c(N[C@@H]4C[C@@H]5CC[C@@H]4C5)ncnc32)[C@@H]1O 100680974 PVJGDYDNVNCGBT-NDVQULJSSA-N 379.848 1.285 50 1 GDGF COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]c(=S)[nH]c(=O)c32)cc(OC)c1OC 7516537 CLMMUBHUKIUGLW-NSHDSACASA-N 388.405 1.676 50 1 GDGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3c(F)cccc3B(O)O)N12 962657337 BOFBJOCTYCWEQS-RXVVDRJESA-N 394.211 1.242 50 1 GDGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccnc(N)n1)[C@@H](C2)C3=O 587414338 UQSVTRQRIRQSJZ-MGPLVRAMSA-N 376.210 2.105 50 1 GDGF C=C1C[C@H](OC(=O)C(C)=CC)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](O)[C@]2(O)CCl 2356525721 ZSYKCZZWACIFPT-NHAGCDNQSA-N 396.867 1.889 50 1 GDGF CCS(=O)(=O)OCCN(C)[P@]1(=O)OCC[C@@H](OO)N1CCCl 169319566 UBYPXTQKOXHFRP-UZJPJQLHSA-N 380.787 1.169 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C=C(C)C)C[C@@](C)(O)[C@@]13CC[C@@](C)(OO1)[C@@H]23 2356713879 UZTVRQCUOHSNPN-HPQWIRMFSA-N 378.421 1.986 50 1 GDGF CCO[C@]1(OC)C(Br)=C[C@]2(O)CC(=O)O[C@H]2[C@@H]1Br 2356416967 METYCVPWPKHKRD-XWLWVQCSSA-N 386.036 1.468 50 1 GDGF CCOc1ccccc1/C=N/NC(=O)Cn1nnnc1-c1ccc2c(c1)OCO2 103225675 YOUCIJXDIFOGEW-KEBDBYFISA-N 394.391 1.618 50 1 GDGF O=C(CCl)N1CCN(CCN2C(=O)[C@H](Cl)[C@H]2c2ccc(O)cc2)CC1 103195421 LIMCBKDIRYSUBP-HZPDHXFCSA-N 386.279 1.266 50 1 GDGF CC[C@H](NC1=C(N=C2C=CC=C(C#N)C2=O)N[S@@](=O)N1)c1cc(C)c(C)o1 2356705110 VSMDVDYFVQVZLC-CEXHIMGSSA-N 385.449 1.865 50 1 GDGF COc1cc(/C=N/NC(=O)CSc2nnnn2-c2ccccc2)ccc1O 1500931 GIRCKKFFLKDGIN-VCHYOVAHSA-N 384.421 1.619 50 1 GDGF O=C(Cn1nnnc1-c1ccccc1)NN1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 1857544863 NHJQHLFTPGECOF-JKSUJKDBSA-N 382.811 1.562 50 1 GDGF C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)C=C(C)C)C[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23 1857643734 FIBGZKFGFLBOPR-ZTFPFXEASA-N 376.405 1.762 50 1 GDGF CC(C)C[C@H](NC(=O)[C@H](C)NC1=C(Cl)C(=O)c2ccccc2C1=O)B(O)O 1772648618 HHUHLQZWVTUZKO-GWCFXTLKSA-N 392.648 1.037 50 1 GDGF Cc1ccc(OC/C(=C/C=O)Nc2cc(C[C@H](N)C(=O)O)c(O)cc2O)cc1 12502244 FSNBWEOGSXUNGF-VCXBKZMZSA-N 386.404 1.934 50 1 GDGF in-vivo O=C(CSCC(=O)NN=Cc1ccccc1O)NN=Cc1ccccc1O 254044105 BJXHONRYWGYJOW-UHFFFAOYSA-N 386.433 1.431 50 1 GDGF C/C=C(/C=O)[C@H](CC(=O)OCCc1ccc(O)c(O)c1)[C@@H](C=O)C(=O)OC 34471703 LTKAHEKEHUYXLZ-FDMWZVBTSA-N 378.377 1.323 50 1 GDGF O=C(CCl)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 71333764 CDXRMNCICFAXQW-ZDUSSCGKSA-N 386.799 1.472 50 1 GDGF C=C1C(=O)O[C@@H]2[C@@H]1C[C@H](O)[C@@](C)(OC(=O)/C(C)=C/C)[C@@]13C=C[C@@](C)(OO1)[C@@H]23 257555273 UMHHYRUGXILZJB-MIOJOJTOSA-N 376.405 1.762 50 1 GDGF endogenous,in-man