smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 28873392 UXBJTZPWAPMZLA-OQLLNIDSSA-N 303.343 2.983 50 1 DFGF COC(=O)[C@H](C)[C@H]1CC[C@@](CCCC=CC(C)=O)(OC)OO1 2356403751 UACRRWTTYXVDEF-FMKPAKJESA-N 314.378 2.564 50 1 DFGF C=C(C=O)[C@H]1Cc2cc([C@H](C)OC(=CC)C(=O)O)ccc2O1 2356572093 OLDXYWSNUYDICY-MEDUHNTESA-N 302.326 2.811 50 1 DFGF CC(C)(NC(=O)CCl)c1nc2cc(Cl)cc(F)c2[nH]1 587009353 BGYAIKFGGFBWAK-UHFFFAOYSA-N 304.152 2.946 50 1 DFGF CCCOC(=O)/C(C#N)=C1\SCC(=O)N1c1ccccc1F 1857764981 IJXMDVVIDYXYDX-UVTDQMKNSA-N 320.345 2.594 50 1 DFGF CC1=CC[C@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 38148218 YOKWNCJKSSIUBC-BPUTZDHNSA-N 308.399 2.906 50 1 DFGF CCOC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C#N 40901144 PRFGSVRQLRGCJC-UHFFFAOYSA-N 300.318 2.635 50 1 DFGF COc1ccc(/C=N/NC(=O)c2ccc3nc(C)[nH]c3c2)cc1 1772646809 HFBNCCDIPFXGBW-VCHYOVAHSA-N 308.341 2.644 50 1 DFGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](Cl)C=O)N1 587686736 DNQBQRJMXWPERF-GFJAWQGPSA-N 320.589 2.970 50 1 DFGF Cc1ccccc1/C=N/NC(=O)c1cc2ccccc2oc1=O 1857572292 DLRYHLHQQOLJRD-YBFXNURJSA-N 306.321 2.865 50 1 DFGF CC(=O)/C=C\[C@@H]1CC[C@@H](CC(=O)OCc2ccccc2)OO1 72175379 WCFGLVOPXVGKGV-KTYGHDLGSA-N 304.342 2.744 50 1 DFGF CC(=O)OCC(C)=CC(=O)O[C@H]1C=C(C=O)C(C)(C)C=C1C 2356615026 RYGKALGARMELFA-HNNXBMFYSA-N 306.358 2.519 50 1 DFGF FC(F)(F)c1ncc2nc(/C=C/CBr)nc-2[nH]1 586973735 NMOGZSGPBXGTOZ-OWOJBTEDSA-N 307.073 2.731 50 1 DFGF CC(=O)C1=C(O)/C(=C(\C)Nc2cccc(Cl)c2)C(=O)OC1=O 142162647 ZSRMMSZDCBSTDO-XFFZJAGNSA-N 321.716 2.510 50 1 DFGF CSC[C@@H](C)O[P@@](N)(=O)N(CCCl)CCCl 100898303 MZEXQCBVODQMQT-ANRSDYALSA-N 309.199 2.601 50 1 DFGF Cn1cc(C(=O)c2coc3cc(C#N)ccc23)c(C(=O)Cl)n1 587278926 XCUWYRARKZKVFD-UHFFFAOYSA-N 313.700 2.648 50 1 DFGF COC(C)(C)[C@H](Br)c1nc2c(Cl)ncnc2[nH]1 586970896 LYFHARHSKHBXJD-ZCFIWIBFSA-N 319.590 2.867 50 1 DFGF COc1cncc2nc([C@H](Br)C(C)(C)OC)[nH]c12 586971697 WVHUZAQHSAXTAG-JTQLQIEISA-N 314.183 2.828 50 1 DFGF Cc1cc2[nH]c(-c3ccc4c(c3)C(=O)OC4=O)nc2cc1[N+](=O)[O-] 586906062 HVJZNQOTPHHJHB-UHFFFAOYSA-N 323.264 2.757 50 1 DFGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(N1)[C@H]1CC[C@H](C1)[C@H]2Cl 962925555 VUXDOWRUHBIUPZ-BBYHYIEUSA-N 309.768 2.657 50 1 DFGF C[C@H]1COc2ccccc2N1C1=NC(=O)[C@](C)(CCl)S1 103184044 QNJDNTPHPODBDW-XPTSAGLGSA-N 310.806 2.901 50 1 DFGF COc1cc(OC)c2[nH]c(-c3ccc4c(c3)C(=O)OC4=O)nc2c1 586907167 TVUKLRGZFYUWCK-UHFFFAOYSA-N 324.292 2.558 50 1 DFGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc(F)cc1 95808696 BLCONRMEEVSNRD-LDADJPATSA-N 308.353 2.789 50 1 DFGF CC(C)(NC(=O)CCl)c1nc2cc(C(F)(F)F)ncc2[nH]1 587009425 FIQPXOISCUBDHN-UHFFFAOYSA-N 320.702 2.567 50 1 DFGF C[C@@H]1CCc2sc(C(=O)NNC=C3C=CC(=O)C=C3)cc2C1 13122384 DPKSHAXYSNDURM-LLVKDONJSA-N 314.410 2.686 50 3 DFGF C[C@@H]1CC[C@H]2[C@H]3CCCO[C@H]3O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43328117 INRSCOPNMDDWMR-XQLAAWPRSA-N 310.390 2.985 50 1 DFGF Nc1ccc(-c2ccc3nc([C@H](N)CCl)[nH]c3c2)cc1N 587010688 NHDXDSKMCFITFT-GFCCVEGCSA-N 301.781 2.633 50 1 DFGF Cc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)n1 13586210 GKOVQCUILUZOAU-KRWDZBQOSA-N 306.369 2.674 50 1 DFGF CCOc1cccc(/C=N/NC(=O)c2ccccn2)c1OCC 95808839 LYLIOPJFKHQGRN-XDHOZWIPSA-N 313.357 2.643 50 1 DFGF O=C(O)c1cccc2c1CCN[C@]21c2ccccc2C[C@@H]1Cl 963128546 BOAZWAFSZYDQMX-FUHWJXTLSA-N 313.784 2.938 50 1 DFGF CCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]23[C@H]1O4 43910557 TZAQQVMCWXHOOC-KDYIVRDHSA-N 309.406 2.844 50 1 DFGF C=C(C=O)[C@@H]1Cc2cc([C@H](C)O/C(=C\C)C(=O)O)ccc2O1 238731913 OLDXYWSNUYDICY-GSQXRKORSA-N 302.326 2.811 50 1 DFGF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](CCl)N1 962702825 STKFWAKADYEMIW-UWVGGRQHSA-N 311.662 2.723 50 1 DFGF CCc1ccc2c(c1)[C@@]1(C(C#N)=CO2)c2nn(C)cc2CCN1C 963956387 XVMKHUVSQCRGEV-IBGZPJMESA-N 320.396 2.514 50 1 DFGF O=C(NNc1ncnc2sc3c(c12)CCCC3)c1ccc[nH]1 1772618024 VYUJZDLYXVVJEE-UHFFFAOYSA-N 313.386 2.655 50 1 DFGF COc1cc2c3c(c1)O[C@](CCl)(C(C)(C)OC)[C@@H](C2)C3=O 587418128 RZXQLOFDYQIWCE-ZBEGNZNMSA-N 310.777 2.845 50 1 DFGF CC=C(C=O)[C@@H]1C[C@@H]2NCCc3c2n(c2ccccc32)[C@H](O)C1 2356670680 YQIYGKCKHVXNPT-RPVQJOFSSA-N 310.397 2.874 50 1 DFGF CC=C(COC(C)=O)C(=O)O[C@H]1C=C(C=O)C(C)(C)C=C1C 2356678080 RIYSKDBFFCNNSW-HNNXBMFYSA-N 306.358 2.519 50 1 DFGF C/C=C1/CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1cc(OC)ccc14 238757646 LMVCHIVHFYHQKQ-LSMJLRHGSA-N 322.408 2.866 50 1 DFGF CN(C)CCSSCCCn1cc(-c2ccccn2)nn1 618010111 PTMCVBYOOHSXAK-UHFFFAOYSA-N 323.491 2.673 50 1 DFGF COc1ccc(CC(C=N)=C(C#N)CC2(O)C=CC(=O)C=C2)cc1 2356696399 XINOHHXWXBZEKY-UHFFFAOYSA-N 322.364 2.524 50 1 DFGF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](CCl)N1 962702829 STKFWAKADYEMIW-VHSXEESVSA-N 311.662 2.723 50 1 DFGF O=C1OC(=O)[C@H]2[C@H]3O[C@H](C(c4ccccc4)=C3c3ccccc3)[C@H]12 195148439 FALSGXOQZDXLHB-TVFCKZIOSA-N 318.328 2.694 50 1 DFGF COC(=O)c1cc2[nH]c([C@@H](Cl)CCl)nc2cc1OC 587009083 UZEWLPNWETWFRA-ZETCQYMHSA-N 303.145 2.877 50 1 DFGF C=C/N=N/[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 169365195 SPGUMOTXXSUVDW-AYJMOOLESA-N 322.361 2.723 50 1 DFGF O=C(N/N=C/c1ccc(O)cc1)c1ccc(-n2cccc2)cc1 40872986 WFSUPAXUBMKGMZ-CPNJWEJPSA-N 305.337 2.947 50 1 DFGF C[C@]1(O)OC(=O)C=C1[C@@H]1CC[C@@](C)(Cl)[C@H](Br)C1 49053765 ARPGIRZFNMNODV-QNKRVWAESA-N 323.614 2.739 50 1 DFGF CN(C)CCSSCCNC(=O)Nc1ccc(C#N)cc1 618008107 YWZBJFXKRLDDQB-UHFFFAOYSA-N 324.475 2.623 50 1 DFGF NNC(=O)c1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1 587043188 QKLQBJOBNHLXMJ-AWEZNQCLSA-N 310.382 2.556 50 1 DFGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(N1)[C@H]1CC[C@H](C1)[C@@H]2Cl 962925559 VUXDOWRUHBIUPZ-PVDBGPMCSA-N 309.768 2.657 50 1 DFGF CO[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@H]1C(=O)OC(=O)[C@H]12 73417927 JVUYITYOPQCFKX-OAFZBRQQSA-N 306.317 2.622 50 1 DFGF COc1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2cn1 586971055 LFNJWHKKUGLEQU-SNVBAGLBSA-N 314.183 2.828 50 1 DFGF COc1ccc(C(=O)[C@H](Br)N=[N+]=[N-])cc1OC 84668855 OEQQIAJVPDOAGO-SNVBAGLBSA-N 300.112 2.918 50 1 DFGF C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N/N=C/c1ccc[nH]1 84690037 CNTXASDFZOXYLJ-SEYNJHBTSA-N 309.728 2.725 50 1 DFGF C=CCN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]32[C@H]1O4 169339182 QQZLTIARXCHPNN-DQHMTSTNSA-N 321.417 2.866 50 1 DFGF CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(N)cc2)cc1 3149603 WBNPZDJIFBDPOL-DEDYPNTBSA-N 310.401 2.879 50 1 DFGF Cc1cccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)n1 13586209 GKOVQCUILUZOAU-QGZVFWFLSA-N 306.369 2.674 50 1 DFGF O=C(N/N=C/c1ccc(F)cc1)c1cc2ccccc2oc1=O 1857595883 KVTHTBAYMKNIFC-VXLYETTFSA-N 310.284 2.696 50 1 DFGF COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c1 103253067 DMYNGWGPSYNQSF-QGZVFWFLSA-N 324.336 2.628 50 1 DFGF CC(=O)OC[C@H](C)CC(=O)O[C@H]1C=C(C=O)C(C)(C)C=C1C 2356515398 NLOIJAZSDLBQKU-ABAIWWIYSA-N 308.374 2.599 50 1 DFGF C=CC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 141100448 FZTWQIWCFNJTQK-IBPNRKMYSA-N 308.374 2.951 50 1 DFGF C[C@H]1Oc2ccccc2C=C1/C=N/NC(=O)c1ccc(O)cc1 1772641515 NTROVKPRPXRAEV-ZGXHQARYSA-N 308.337 2.972 50 1 DFGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](Cl)C=O)N1 587686738 DNQBQRJMXWPERF-SVERMHFZSA-N 320.589 2.970 50 1 DFGF CCCC[C@@H](/C=N/NC(=O)NC(C)C)NC(=O)OC(C)(C)C 28570119 YMCGATXFSWENJS-SEJMYLSOSA-N 314.430 2.763 50 1 DFGF CN(C)CCSSCCCNC(=O)c1ccc(C#N)cc1 618008157 SPSJRNOYUMLWJF-UHFFFAOYSA-N 323.487 2.621 50 1 DFGF CNc1cc(Cl)ccc1-c1nc2ccc(C(=O)NN)cc2[nH]1 587067323 UIOXACYMXPXPHC-UHFFFAOYSA-N 315.764 2.529 50 1 DFGF COC(C)(C)[C@H](Br)c1nc2cc(N)c(N)cc2[nH]1 586971077 LTBQCRONNFXZGP-SNVBAGLBSA-N 313.199 2.588 50 1 DFGF CCCCN1C(=O)[C@@H]2SS[C@H]1C(=O)N2Cc1ccccc1 1857553653 YSCFSMSDDWVONT-GJZGRUSLSA-N 322.455 2.705 50 1 DFGF Cc1ccc(SSC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])cc1 34052809 IHCSTCQWPTZVIV-SECBINFHSA-N 320.348 2.521 50 1 DFGF Cc1cc(Cl)ccc1C#Cc1nc2ccc(C(=O)NN)cc2[nH]1 587067255 PYIWOBZYVWPSLB-UHFFFAOYSA-N 324.771 2.528 50 1 DFGF N#C/C(=C\c1ccccc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587188472 RKSHMLYJLNAFLG-MDWZMJQESA-N 313.324 2.603 50 1 DFGF Nc1ccccc1[C@]1(CCl)NCCc2nc3ccccn3c21 962988281 XULUAKZMWCMABS-KRWDZBQOSA-N 312.804 2.545 50 1 DFGF N#CC1=C2CCOC[C@@H]2[C@@H](c2ccsc2)C(C#N)(C#N)C1=N 169688762 RLBYTCMSDAJBOH-UONOGXRCSA-N 308.366 2.755 50 1 DFGF C=C/N=N/[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 169365193 SPGUMOTXXSUVDW-UAVILIATSA-N 322.361 2.723 50 1 DFGF C/C(=N\NC(=O)c1ccc(Cl)cc1)c1nc2ncccc2[nH]1 5597119 HQYIDNSWPZQGPD-AWQFTUOYSA-N 313.748 2.765 50 1 DFGF COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1 13586191 DSEIZYGCJWXGNO-SFHVURJKSA-N 321.380 2.979 50 1 DFGF COc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1OC 263592042 YAPLJVZRQGASNZ-BZEPBZKLSA-N 302.374 2.590 50 3 DFGF CCc1ccc(N2N=C3COC(C)(C)C=C3C(C#N)=C2N)cc1 13838677 YVZYEHAGOXOINH-UHFFFAOYSA-N 308.385 2.854 50 1 DFGF CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(C#N)c1 13586160 LSLUBGBXMRIQDG-GOSISDBHSA-N 316.364 2.842 50 1 DFGF CC(C)(NC(=O)CCl)c1nc2cc(Cl)nc(Cl)c2[nH]1 587009748 QJZADVLGUWKURW-UHFFFAOYSA-N 321.595 2.855 50 1 DFGF COc1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2cn1 586971053 LFNJWHKKUGLEQU-JTQLQIEISA-N 314.183 2.828 50 1 DFGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](Cl)C=O)N1 587687508 HAOGZHKTGXIWBM-MDSUWVFBSA-N 320.589 2.970 50 1 DFGF CCN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@H](c3ccoc3)[C@H]2C1 169688661 LCRAQOGVLNGSOS-JKSUJKDBSA-N 319.368 2.592 50 1 DFGF O=C1OC(=O)c2cc(-c3nc4ccc(F)c(F)c4[nH]3)ccc21 586905817 CYOQHKDFQHXZCA-UHFFFAOYSA-N 300.220 2.819 50 1 DFGF CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc(C(N)=O)cc2)cc1 1857753988 IEAXBVSNCYFJBI-CIAFOILYSA-N 323.396 2.847 50 1 DFGF Cc1ccc(/C=N/NC(=O)c2ccc(N3CCOCC3)cc2)cc1 45287353 WJWCIFXXRKXGRC-XSFVSMFZSA-N 323.396 2.596 50 1 DFGF O=C1CCc2cc3nc(/C=C\CBr)[nH]c3cc2N1 586973329 HRAIFCKHHFZCES-UPHRSURJSA-N 306.163 2.856 50 1 DFGF COc1cc(C(=O)NN)ccc1COc1ccc(Cl)c(C)c1 103200778 BIFZJSBTNGIPOI-UHFFFAOYSA-N 320.776 2.840 50 1 DFGF CCNC(=S)NNC(=O)c1ccc(-c2ccccc2)s1 40979775 YWBNCTHZDHINMT-UHFFFAOYSA-N 305.428 2.544 50 1 DFGF Cc1ccc(SCCC(=O)NN/C=C2\C=CC=CC2=O)cc1 13122320 SSYPGGORRBSXSI-WYMLVPIESA-N 314.410 2.677 50 3 DFGF ClCc1ccc(CN[C@@]23O[C@@H]4[C@H]5[C@@H]2[C@@H]2[C@@H]6C[C@H]([C@@H]4[C@@H]63)[C@@H]52)cc1 1857542751 GUMLISHTDGQOBT-LGBJRNMMSA-N 313.828 2.998 50 1 DFGF COc1cc(C=CC(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1O 2356857233 VIQDYVAKUJDZBD-UHFFFAOYSA-N 315.281 2.928 50 1 DFGF NCCSSCCCNC(=O)Cc1ccc(Cl)cc1 618007786 QGRNIFGSFSSOBD-UHFFFAOYSA-N 318.895 2.729 50 1 DFGF Cc1ccccc1C(C)(C)c1nc2ccc(C(=O)NN)cc2[nH]1 587955178 LQZDBWPCYYCWBM-UHFFFAOYSA-N 308.385 2.801 50 1 DFGF O=C(CCCl)c1c(CO)oc2cc(Br)cnc12 587277102 ZVZKCXVDRRGINP-UHFFFAOYSA-N 318.554 2.894 50 1 DFGF CCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]23[C@@H]1O4 195309441 TZAQQVMCWXHOOC-YFMFLHRHSA-N 309.406 2.844 50 1 DFGF COc1cc2c3c(c1)O[C@@H](CCCBr)[C@@H](C2)C3=O 587415060 ZYJXVXHPELNFTA-MNOVXSKESA-N 311.175 2.986 50 1 DFGF CC(C)(O)C=CC=C(C=O)[C@@H]1C=C(C=O)CC[C@H]2O[C@]2(C)CC1 2356481169 GKXYKSRLDXJJIP-KVSKMBFKSA-N 318.413 2.912 50 1 DFGF CC(=N)/C(C#N)=C(\O)COC(=O)COc1ccc(Cl)cc1 103110447 COENXEFPFNZOJG-KXBPZSEOSA-N 308.721 2.637 50 1 DFGF Cc1ccc(SSC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])cc1 34052810 IHCSTCQWPTZVIV-VIFPVBQESA-N 320.348 2.521 50 1 DFGF C[C@H]1CC[C@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 38148260 DUCAQABZHGWIFT-SDADXPQNSA-N 310.415 2.986 50 1 DFGF NNC(=O)c1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1 587149592 HRUDQRJFDCUMQU-ZZXKWVIFSA-N 314.295 2.615 50 1 DFGF CC1(C)COc2c(-c3nc4ccc(C(=O)NN)cc4[nH]3)cccc21 586912363 QWRKMZCETCLHRP-UHFFFAOYSA-N 322.368 2.503 50 1 DFGF CC(=O)O[C@@H]1CCn2nnc(CO[Si](C)(C)C(C)(C)C)c21 195425641 GGGPFXWZPAAYBK-GFCCVEGCSA-N 311.458 2.808 50 1 DFGF C[C@@H]1CC2=CC(=O)C=CC2=C(NNC(=O)c2cccc(F)c2)C1 15686361 XSICLFXYCLEXOG-LLVKDONJSA-N 312.344 2.809 50 3 DFGF CCN(CC)C1=CC[C@@H](/C=N/NC(=O)c2ccc(O)cc2)C=C1 101001206 ODXVUGXGASANSN-ITRAFESCSA-N 313.401 2.910 50 1 DFGF COc1ccc(C2=C(c3ccccc3)C(=O)OC2=O)cc1OC 49767444 UJEGBMXGTQDDHX-UHFFFAOYSA-N 310.305 2.698 50 1 DFGF O=C1OC(=O)c2cc(-c3nc4cc(F)c(F)c(F)c4[nH]3)ccc21 586907395 LTYPGJSERPDIJZ-UHFFFAOYSA-N 318.210 2.958 50 1 DFGF CCCCCCCCCNC(=O)NNC(=O)c1ccncc1 1857629835 RCPGETZNCGJEQN-UHFFFAOYSA-N 306.410 2.776 50 1 DFGF O=C(N/N=C/c1cc(Br)cs1)c1ccccn1 2744220 KCESMUCKMVDDLS-MKMNVTDBSA-N 310.176 2.670 50 1 DFGF CC(C)(F)[C@@H](Br)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587087099 LWEPFSWZJPIVRB-BYPYZUCNSA-N 322.569 2.555 50 1 DFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c[nH]c(C=O)c1)O2 587374411 XQFZCLHCPMFLBK-MRXNPFEDSA-N 318.760 2.817 50 1 DFGF C[C@@H]1CC[C@H]2[C@H]3CCCO[C@H]3O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100863180 INRSCOPNMDDWMR-RRIGHJONSA-N 310.390 2.985 50 1 DFGF C=CC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 169365391 FZTWQIWCFNJTQK-FMARYKTNSA-N 308.374 2.951 50 1 DFGF O=c1c2c3c(sc2nc2sc(CCl)nn12)CCCC3 28814879 SGAFQZCOAGLMIN-UHFFFAOYSA-N 311.819 2.983 50 1 DFGF C=C1CC[C@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 38148221 AHJRFLWRENLSDT-BPUTZDHNSA-N 308.399 2.906 50 1 DFGF CNc1ccccc1/C(O)=C(\C#N)C(=O)NCc1cccs1 203467091 OZYAUBURHZUVNT-SQFISAMPSA-N 313.382 2.899 50 3 DFGF Cc1ccc(C2OOC(c3ccc(/C=N\N)cc3)OO2)cc1 72174356 CMVDUBOSCSPAJR-ZDLGFXPLSA-N 300.314 2.895 50 1 DFGF CCOC(=O)/C=C1/NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C 195161542 CLUUVKBUWMZNJD-RLMBRUFRSA-N 313.470 2.590 50 1 DFGF Nc1ccc(C(=O)N/N=C/c2ccc(O)c3ccccc23)cc1 13864077 ZYXVDKOSZLSDOW-RGVLZGJSSA-N 305.337 2.892 50 1 DFGF C[C@@H](C(=O)O)[C@H]1CC[C@@](C)(C/C=C/[C@@]2(C)CCC(=O)O2)OO1 58590957 HAZACBAWFGKIBT-MLRSDNKZSA-N 312.362 2.618 50 1 DFGF COc1cc(/C(O)=C(\C#N)c2ccccn2)cc([N+](=O)[O-])c1O 1857567283 LUBLDWSVQZDRNG-UVTDQMKNSA-N 313.269 2.654 50 1 DFGF CO[C@H]1O[C@]2(C)OO[C@@]13[C@H](CCO)CCC[C@@H]3CC2(C)C 100862005 BCUBFQJBIVOSFG-XNHWPECASA-N 300.395 2.621 50 1 DFGF CCS(=O)(=O)c1ccc2nc([C@H](Cl)CCl)[nH]c2c1 587008936 SHVYMQKCXVYSHS-MRVPVSSYSA-N 307.202 2.875 50 1 DFGF Cc1ccccc1NCC(=O)NN/C=C1\C=Nc2ccccc21 13118981 LHBSOHXHPSOJAY-SDNWHVSQSA-N 306.369 2.785 50 3 DFGF CCCc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 169348071 LVBUVTHPOUAKGG-MHWRWJLKSA-N 301.302 2.904 50 1 DFGF CC(=O)OC[C@H](C)CC(=O)O[C@@H]1C=C(C=O)C(C)(C)C=C1C 2356515399 NLOIJAZSDLBQKU-IAQYHMDHSA-N 308.374 2.599 50 1 DFGF Oc1nc2cc3nc(CCCCBr)[nH]c3cc2[nH]1 586972341 MUUXCKGNYFHSFD-UHFFFAOYSA-N 309.167 2.862 50 1 DFGF C/C(=N/NC(=O)c1ccccc1)C1=C(O)CC(C)(C)CC1=O 102383081 KXFLYZGPXRZFQJ-WQRHYEAKSA-N 300.358 2.994 50 1 DFGF CC(=O)[C@@]1(Cc2ccc([N+](=O)[O-])cc2)CC[C@]2(C)OO[C@@]1(C)O2 473086341 HIAFXEQUTKMXKP-XHSDSOJGSA-N 321.329 2.917 50 1 DFGF CC1(C)[C@@H]2CC[C@@]1(CCl)c1nc3nc(O)nc(O)c3cc12 587368440 KCDRVVOTJVHBJM-RFAUZJTJSA-N 305.765 2.830 50 1 DFGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@]2(N1)[C@H]1CC[C@H](C1)[C@H]2Cl 962925562 VUXDOWRUHBIUPZ-UKVVNXMMSA-N 309.768 2.657 50 1 DFGF COc1cccc2c1c(CC(=O)NN)c(C)n2Cc1ccccc1 13445909 KYHPVVZTDQURKQ-UHFFFAOYSA-N 323.396 2.539 50 1 DFGF CC1=CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 101262050 YOKWNCJKSSIUBC-KBMXLJTQSA-N 308.399 2.906 50 1 DFGF C=C1C(CC)=C(C#N)C(=O)N1NC(=O)c1ccc(Cl)cc1 64516237 GERSDCOYZSDCAV-UHFFFAOYSA-N 301.733 2.571 50 1 DFGF CC[C@@H]1C(=O)[C@@H](CC)[C@@]23C[C@H](C)CC[C@@]24OO[C@@](C)(O4)[C@H]1O3 299846712 ZVZXOCJZAIGMNG-IBMBVPAWSA-N 310.390 2.970 50 1 DFGF C=CCc1cccc(C=NNC(=O)CNc2ccccc2)c1O 261152785 PHICBLRJUHTHAI-UHFFFAOYSA-N 309.369 2.683 50 1 DFGF aggregator NCCSSCCCNC(=O)c1cc(F)c(F)c(F)c1 618007877 SNKOIXBFKGEFQU-UHFFFAOYSA-N 324.393 2.564 50 1 DFGF CN(C)CCSSc1ccc([N+](=O)[O-])c(C(=O)O)c1 618017766 ZFDYFAOUJPQSJG-UHFFFAOYSA-N 302.377 2.595 50 1 DFGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCl)c1cnnn1C 963239007 IPISVWNTCORGQG-CXAGYDPISA-N 318.852 2.954 50 1 DFGF COc1ccc(/C=C(C#N)/C=C2\SC(=S)NC2=O)cc1 103229597 SPHWRDBDKWINBJ-XDPIJNQUSA-N 302.380 2.634 50 1 DFGF O=C(O)CC/C(=N/NC(=O)c1cccs1)c1ccccc1 13146573 SKHUWHZPIJZMMR-VBKFSLOCSA-N 302.355 2.747 50 3 DFGF COC(=O)C[C@@H]1OO[C@@](CCCC=CC(C)=O)(OC)C[C@H]1C 2356482647 QBCJFJJPTMZNOE-IVMMDQJWSA-N 314.378 2.564 50 1 DFGF CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 34151390 JXZIXFRUSHDGMU-KRWDZBQOSA-N 307.353 2.676 50 1 DFGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](Cl)C=O)N1 587687506 HAOGZHKTGXIWBM-KXHDPYLZSA-N 320.589 2.970 50 1 DFGF COC(=O)c1ccc2nc([C@H](Cl)CCl)[nH]c2c1OC 587008134 KSYQIAXHHIZLNT-SSDOTTSWSA-N 303.145 2.877 50 1 DFGF NNC(=O)c1ccc2nc(-c3ccc4ccccc4c3N)[nH]c2c1 587253169 CJLGNOBCPBFZQD-UHFFFAOYSA-N 317.352 2.569 50 1 DFGF [N-]=[N+]=NCCCCCCc1nc2ccc(C(=O)NN)cc2[nH]1 587260112 NTTYKFYFJDWFOA-UHFFFAOYSA-N 301.354 2.580 50 1 DFGF COc1ccc(/C=C(\C#N)n2nc3ccccc3n2)cc1OC 72124475 XSFJREOIFULAIQ-UKTHLTGXSA-N 306.325 2.970 50 1 DFGF CCOC(=O)[C@@](Cc1ccccc1)(OOC(C)(C)C)C(C)=O 95554154 OHVMKQPYAJHRPM-KRWDZBQOSA-N 308.374 2.867 50 1 DFGF CC[C@@H]1C(=O)[C@H](CC)[C@@]23C[C@@H](C)CC[C@@]24OO[C@@](C)(O4)[C@H]1O3 299846714 ZVZXOCJZAIGMNG-KBYQZTIUSA-N 310.390 2.970 50 1 DFGF C[n+]1cccc(/C=N\NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 38204729 KLIMHKWADVGJPJ-NDENLUEZSA-O 312.437 2.568 50 1 DFGF Cc1ccc(N/C=C(\C#N)C(=O)NC(=O)c2ccccc2)cc1 6715248 VQNPIVOEVASPHD-NTCAYCPXSA-N 305.337 2.771 50 1 DFGF CCOc1ccc(N2N=C3COC(C)(C)C=C3C(C#N)=C2N)cc1 13838700 OUQRXDHGEHVSOH-UHFFFAOYSA-N 324.384 2.690 50 1 DFGF CC(=O)OCC=C(C)C(=O)O[C@H]1C=C(C=O)C(C)(C)C=C1C 2356551891 WBQKLOHMZZWZHA-HNNXBMFYSA-N 306.358 2.519 50 1 DFGF COc1cc(/C=N/NC(=O)OCc2ccccc2)ccc1O 299834844 CNVGPKQGZMFERO-LICLKQGHSA-N 300.314 2.661 50 1 DFGF O=C(NNc1nc2cc(F)ccc2n2cccc12)c1ccco1 28640719 VXJPCHQVVIUPTE-UHFFFAOYSA-N 310.288 2.977 50 1 DFGF Cc1oc2ccccc2c1C(=O)NCCSSCCN 618007670 KSHUANSAFXHSEE-UHFFFAOYSA-N 310.444 2.811 50 1 DFGF C=CCN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]32[C@H]1O4 169339180 QQZLTIARXCHPNN-PXJNTTKPSA-N 321.417 2.866 50 1 DFGF O=C(NN=C(c1ccccn1)c1ccccn1)c1cccs1 28964396 BZIUUPPTELHLQB-UHFFFAOYSA-N 308.366 2.721 50 1 DFGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)OCC#Cc1ccccc1 103245124 GPQOQOFSLVISNZ-LFIBNONCSA-N 319.316 2.600 50 1 DFGF CCc1cccc(N2N=C3COC(C)(C)C=C3C(C#N)=C2N)c1 13838675 KRLLUGBEFHLYLF-UHFFFAOYSA-N 308.385 2.854 50 1 DFGF Cc1[nH]cnc1/C=C1\C(=O)Nc2ccc(C(=O)CCl)cc21 72110150 VIRXUWUAZFKQHO-WZUFQYTHSA-N 301.733 2.632 50 1 DFGF C=CCN1C(=O)[C@H](C)[C@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]32[C@H]1O4 43397083 QQZLTIARXCHPNN-ZTAPHHKNSA-N 321.417 2.866 50 1 DFGF COc1nccc2nc([C@@H](Br)C(C)(C)OC)[nH]c12 586971690 WPSMNULSIFUGPT-SECBINFHSA-N 314.183 2.828 50 1 DFGF CC[C@H](Cl)C(=O)Nc1ccc(C2=NNC(=O)C[C@@H]2C)cc1 27894123 JAGRYBVNZNOUSM-CABZTGNLSA-N 307.781 2.503 50 1 DFGF C[C@H](Br)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587007605 AULDSHMBZPRFLG-JTQLQIEISA-N 323.238 2.771 50 1 DFGF CC(C)(F)[C@@H](Br)c1nc2ccc(C(N)=O)cc2[nH]1 587087391 PLVWAUIDMNPMGQ-VIFPVBQESA-N 314.158 2.846 50 1 DFGF COC(=O)[C@]12C=CC(=O)C(O)=C1CC=C(C)[C@H]2C/C=C(\C)C=O 103237206 RAUJCVKRKJTBPY-NZGXCVGRSA-N 316.353 2.598 50 1 DFGF CCN(CC)C1=CC[C@H](/C=N/NC(=O)c2ccc(O)cc2)C=C1 101001202 ODXVUGXGASANSN-NFECSFHCSA-N 313.401 2.910 50 1 DFGF Nc1ccc(N(CCBr)CCBr)cc1 29412435 SWWNBHLBHYSRCO-UHFFFAOYSA-N 322.044 2.865 50 1 DFGF O=C(N/N=C/c1ccc([N+](=O)[O-])o1)C12CC3CC(CC(C3)C1)C2 46192603 VENJVIPOTIFVLV-RQZCQDPDSA-N 317.345 2.854 50 1 DFGF O=C(N/N=C/c1c(Cl)c2ccccc2oc1=O)c1ccco1 1772647610 XGBKFVKRXAEGSA-CAOOACKPSA-N 316.700 2.803 50 1 DFGF Cc1cccc(C(=O)NNC(=O)c2ccc(-n3cccc3)cc2)c1 1772586153 NYVUDGOKGBWXJH-UHFFFAOYSA-N 319.364 2.861 50 1 DFGF C/C=C(/COC(C)=O)C(=O)O[C@@H]1C=C(C=O)C(C)(C)C=C1C 1567088 RIYSKDBFFCNNSW-IIEJUSTOSA-N 306.358 2.519 50 1 DFGF CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(\O)c2ccccc2)cc1 209106810 SHIOBPJQDMLVCL-HNENSFHCSA-O 317.372 2.897 50 1 DFGF N#C/C(=C\c1ccc([N+](=O)[O-])o1)c1nnc(Cc2ccccc2)[nH]1 6580919 NTIDGBCKTXTYPD-FMIVXFBMSA-N 321.296 2.961 50 1 DFGF NNC(=O)c1ccc2nc(CSCc3ccsc3)[nH]c2c1 587025235 FTKVDLAIRUUWSH-UHFFFAOYSA-N 318.427 2.661 50 1 DFGF Nc1ccc(-c2cc(O)n(-c3ccnc(CCl)n3)c2O)cc1 587940164 NEXQVWUJBQHSIO-UHFFFAOYSA-N 316.748 2.667 50 1 DFGF C=C/N=N\[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 169365194 SPGUMOTXXSUVDW-CTRHWABJSA-N 322.361 2.723 50 1 DFGF NNC(=O)c1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1 587960058 KDODKTMNUUYCQT-KBPBESRZSA-N 306.369 2.513 50 1 DFGF O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1ccc2ncccc2c1 1857541801 CDOUFSMNKJTFLU-ODLFYWEKSA-N 320.308 2.907 50 1 DFGF O=C(CCl)Nc1scc[n+]1Cc1ccccc1Cl 103142536 PYEWRVJBQXWXNV-UHFFFAOYSA-O 302.206 2.915 50 1 DFGF C#CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 206684776 NVEPSTWUQUGTGZ-QOBNMGNYSA-N 322.401 2.844 50 1 DFGF O=C(CBr)NCCc1csc2ccc(O)cc12 89456457 RAFULIQYRQZSBR-UHFFFAOYSA-N 314.204 2.661 50 1 DFGF C=C1[C@@H](OO)CC/C(C)=C/[C@@H]2OC(=O)[C@H](C)[C@H]2C[C@H]1OC(C)=O 238772486 CEBJBFICGZLFAO-BNBYZRIDSA-N 324.373 2.640 50 1 DFGF CN(C)C(=O)c1ccc2nc(/C=C\CBr)[nH]c2c1 586974305 VGHJJGDLEKKHJR-ARJAWSKDSA-N 308.179 2.673 50 1 DFGF COc1cc2c3c(c1)O[C@](CCl)(c1cccn1C)[C@@H](C2)C3=O 587418972 CHCMDWANFAFAMF-SJCJKPOMSA-N 317.772 2.915 50 1 DFGF CC(C)(F)[C@@H](Br)c1nc2cccc(C(N)=O)c2[nH]1 587086627 FQXRYICTFFOBAP-VIFPVBQESA-N 314.158 2.846 50 1 DFGF N#C/C(=C/c1ccccc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587187441 HBCVTASTBJULMY-SDQBBNPISA-N 316.320 2.958 50 1 DFGF CCCNC(=O)c1ccc(CBr)c([N+](=O)[O-])c1 2178320242 RNVPUEMNMRXJAC-UHFFFAOYSA-N 301.140 2.630 50 1 DFGF C=CCOC(=O)/C(C#N)=C(/NCc1ccc(Cl)nc1)SC 103186424 TWFMWKJDKGRUQQ-QBFSEMIESA-N 323.805 2.652 50 1 DFGF COC(=O)[C@@]12C=CC(=O)C(O)=C1CC=C(C)[C@H]2C/C=C(\C)C=O 103237208 RAUJCVKRKJTBPY-YPLGZRHUSA-N 316.353 2.598 50 1 DFGF Oc1nc(O)c2ccc(-c3ccc(O)c(CCCl)c3)nc2n1 587368040 ADJPVCLQHRTVIG-UHFFFAOYSA-N 317.732 2.590 50 1 DFGF C[C@@H](Cl)C(=O)c1c(CO)oc2cc(Br)cnc12 587275442 AXNBKFILQGYZIZ-RXMQYKEDSA-N 318.554 2.893 50 1 DFGF COc1ccc(C(=O)[C@@H](Br)N=[N+]=[N-])cc1OC 84668856 OEQQIAJVPDOAGO-JTQLQIEISA-N 300.112 2.918 50 1 DFGF C[C@H](Cl)CC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1 27894110 RRMXYMXQNJKTGN-ZJUUUORDSA-N 307.781 2.503 50 1 DFGF C/C=C1/CN2CC[C@@]34C(=C(C=O)[C@@H]1C[C@@H]23)Nc1cc(O)ccc14 238789198 TXQARMFHKWTSKZ-KIQRVOSNSA-N 308.381 2.563 50 1 DFGF COC(=O)c1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2n1 587187449 HHGAXQWOSBIEMS-FMIVXFBMSA-N 304.309 2.809 50 1 DFGF CCO/C=N/C1=C(C#N)[C@H]2CCCN2C(=O)N1c1ccccc1 45256318 AHTQANLZJJGHFL-IYSPOMMRSA-N 310.357 2.891 50 1 DFGF CCOc1cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)ccc1C 587778007 GYZUDKPGLSSYBO-UHFFFAOYSA-N 310.357 2.541 50 1 DFGF Cc1ccc2c(c1)[C@]1(C(C#N)=CO2)c2c(N)ccc3c2CCN1C3 962949901 CXCMIWWETPCKBU-HXUWFJFHSA-N 315.376 2.992 50 1 DFGF CN(C)CCSSCCNC(=O)c1ccc2cc[nH]c2c1 618008170 TUQAMCQKTMKAFP-UHFFFAOYSA-N 323.487 2.841 50 1 DFGF CN(C)CCSSCCCNC(=O)c1cccc(F)c1 618012746 ZXRJYDDVIREDBJ-UHFFFAOYSA-N 316.467 2.889 50 1 DFGF C[C@H](Br)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587009087 UTPAQOUBPBEZAL-JTQLQIEISA-N 324.222 2.851 50 1 DFGF O=C(Cl)CCCCC(=O)Nc1nnc(-c2ccncc2)s1 1857560157 FUTFMNJXAVPTSH-UHFFFAOYSA-N 324.793 2.864 50 1 DFGF O=C(NN/C=C1\C=Nc2ccc(Br)cc21)C1CC1 13120434 OSVBBSULCUMVKA-VQHVLOKHSA-N 306.163 2.537 50 3 DFGF COc1ccc(/C=N\NC(=O)c2ccc3ncccc3c2)c(O)c1 1857569377 XSFLDPIOQBMWJS-JAIQZWGSSA-N 321.336 2.713 50 1 DFGF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](CCl)N1 962702792 STKFWAKADYEMIW-NXEZZACHSA-N 311.662 2.723 50 1 DFGF NC(=O)NN=C(C=C1C2CC3CC(C2)CC1C3)C(F)(F)F 2356810653 AZZAXUHYVKOJTI-UHFFFAOYSA-N 301.312 2.956 50 1 DFGF C/C=C1/CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1ccc(OC)cc14 14614976 HGYZMLFMOQSVFN-LSMJLRHGSA-N 322.408 2.866 50 1 DFGF COc1ccc(O)c(/C=N\NC(=O)c2ccc3ncccc3c2)c1 1857556849 JWPWJNSKHUOAGB-JAIQZWGSSA-N 321.336 2.713 50 1 DFGF Cc1ccccc1N1C(=O)[C@@H](Cl)[C@@]12C(=O)Nc1ccccc12 103167061 NWSSYYHNVQTMCM-PBHICJAKSA-N 312.756 2.797 50 1 DFGF C[C@H]1CC[C@@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 100833620 DUCAQABZHGWIFT-LQKXBSAESA-N 310.415 2.986 50 1 DFGF C=CCN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]32[C@H]1O4 28536499 QQZLTIARXCHPNN-REMDBXRQSA-N 321.417 2.866 50 1 DFGF NNC(=O)c1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1 587043189 QKLQBJOBNHLXMJ-CQSZACIVSA-N 310.382 2.556 50 1 DFGF CC[C@@H](Cl)C(=O)Nc1ccc(C2=NNC(=O)C[C@@H]2C)cc1 27894117 JAGRYBVNZNOUSM-JOYOIKCWSA-N 307.781 2.503 50 1 DFGF C=C1C(=O)OC[C@H]1[C@H](C=C(C)CCC=C(C)C=O)OC(C)=O 2356648180 QTCMTKDJKLLGFD-CVEARBPZSA-N 306.358 2.519 50 1 DFGF CCC[C@H]1C2=C(CCC3=C(C[C@H]1CC)C(=O)OC3)C(=O)OC2=O 85836074 JJMFORQSBPCDMB-ZYHUDNBSSA-N 318.369 2.846 50 1 DFGF 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2.611 50 3 DFGF Oc1nc(O)c2cc(CCCl)c(-c3cccs3)nc2n1 587563378 GTUFJIMLSRTCEJ-UHFFFAOYSA-N 307.762 2.946 50 1 DFGF CCn1nc(-c2ccccc2)c2c(c1=O)N(C)CC(C#N)=C2C 13761903 XPTLCIFJTGXBLJ-UHFFFAOYSA-N 306.369 2.677 50 1 DFGF O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1ccc[nH]1 84690032 DFQNLZGYGAZZBA-REZTVBANSA-N 312.156 2.851 50 1 DFGF C=C1[C@@H](OC(C)=O)C[C@@H]2[C@H](C=C(C)CC[C@H]1OO)OC(=O)[C@@H]2C 2356753179 CEBJBFICGZLFAO-BZRJDHSHSA-N 324.373 2.640 50 1 DFGF CC(C)(F)[C@H](Br)c1nc2ccc(C(N)=O)cc2[nH]1 587087390 PLVWAUIDMNPMGQ-SECBINFHSA-N 314.158 2.846 50 1 DFGF COc1ccc([C@@H]2O[C@]34CCCC(=O)C3=C[C@@]2(C)OO4)cc1 96933998 WMDWVODYKOICFI-BBWFWOEESA-N 302.326 2.863 50 1 DFGF CCOc1ccccc1N1N=C2COC(C)(C)C=C2C(C#N)=C1N 13838698 KEUJDXPLRSYEDF-UHFFFAOYSA-N 324.384 2.690 50 1 DFGF CCCNC(=O)C1CCC2(CC1)OOC1(CCCCC1)OO2 43620338 DQWHFSHVZGWIQL-UHFFFAOYSA-N 313.394 2.970 50 1 DFGF C[C@H]1CC[C@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 38148230 DUCAQABZHGWIFT-DARAHFNDSA-N 310.415 2.986 50 1 DFGF 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314.378 2.564 50 1 DFGF COC(=O)[C@@]12C=CC(=O)C(O)=C1CC=C(C)[C@@H]2C/C=C(\C)C=O 103237211 RAUJCVKRKJTBPY-LWBXKXHNSA-N 316.353 2.598 50 1 DFGF CN(C)CCSSCCNC(=O)c1ccc2[nH]ccc2c1 618011813 UMFZQWTXSZEBJS-UHFFFAOYSA-N 323.487 2.841 50 1 DFGF O=C(N/N=C/c1cccs1)c1ccnc(Br)c1 653710187 FZKINXTXHZWRCS-VGOFMYFVSA-N 310.176 2.670 50 1 DFGF NC(=O)N/N=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 35175002 HKCUOCGBQOBXSZ-NVMNQCDNSA-N 317.732 2.561 50 1 DFGF N#C/C(=C/c1ccccc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587188470 RKSHMLYJLNAFLG-JYRVWZFOSA-N 313.324 2.603 50 1 DFGF CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCBr)C(=O)O 26020675 YKNGZCCOZCQYAG-WPVMNKCKSA-N 318.211 2.682 50 1 DFGF C[C@@H]1C(C#N)=C(SCC(N)=O)N=C2CC(C)(C)CC(O)=C21 101690509 KHPOPGKKNFRUAH-MRVPVSSYSA-N 305.403 2.663 50 1 DFGF CCC/C(NCc1ccoc1)=C(\C#N)C(=O)OCCOCC 35329764 QGHQGNOXBYIXCW-PFONDFGASA-N 306.362 2.527 50 1 DFGF NCCSSCCCNC(=O)c1ccc(Cl)c(F)c1 618007679 KZRCUSWGLPZAND-UHFFFAOYSA-N 322.858 2.939 50 1 DFGF COC(=O)[C@@H](Cl)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587495222 CCJPBSCIGBXLKX-KBPBESRZSA-N 308.761 2.680 50 1 DFGF O=C1/C(=N/c2ccccc2O)[C@@H](Cl)C(=O)N1c1ccccc1 169688745 PDMOLZBJGXZMJQ-VECBGMNBSA-N 314.728 2.646 50 1 DFGF C[C@@H]1Oc2ccccc2C=C1/C=N/NC(=O)c1ccc(O)cc1 1772641514 NTROVKPRPXRAEV-MKFNJMOCSA-N 308.337 2.972 50 1 DFGF COc1cc2c3c(c1)O[C@](C)([C@@H](C)Br)[C@@H](C2)C3=O 587412815 CMCIUPIBSJJOCL-LJXOEOAUSA-N 311.175 2.985 50 1 DFGF COC(=O)[C@H](C)[C@@H]1CC[C@](CCCC=CC(C)=O)(OC)OO1 2356403753 UACRRWTTYXVDEF-IJEWVQPXSA-N 314.378 2.564 50 1 DFGF N[C@H](C(=O)N/N=C/C1CCCC1)c1ccc(C(F)(F)F)cc1 653781844 XNBLIUWKYYLDHP-QOJWJBQSSA-N 313.323 2.997 50 1 DFGF CC1=C/C(=N\NC(=O)c2ccccc2)c2c(O)cccc2C1=O 84634220 ICHDQFPFMKZZHI-XMHGGMMESA-N 306.321 2.669 50 1 DFGF Cc1ccc(NCC(=O)NN/C=C2\C=Nc3ccccc32)cc1 13132544 UJYPEGPXMJSCEN-SDNWHVSQSA-N 306.369 2.785 50 3 DFGF COc1cc2ccnc3c2c(c1OC)[C@@H](Br)OC3=O 28524576 MTDLYFVQDDTTLR-LBPRGKRZSA-N 324.130 2.816 50 1 DFGF Oc1nc(O)c2cc(CCCl)c(-c3ccccc3)nc2n1 587368134 BZNMWOMOQZYMQX-UHFFFAOYSA-N 301.733 2.884 50 1 DFGF COc1ccc(/C=C/C(=O)NNc2nncc3ccccc23)cc1 66123696 JZLHNGVCYQSZNP-DHZHZOJOSA-N 320.352 2.795 50 1 DFGF N#C/C=C1/c2ccccc2N=C(N2CCNCC2)c2ccccc21 40655719 HSPFWZWVUUTMLK-CXUHLZMHSA-N 314.392 2.939 50 1 DFGF C[C@H]1CCc2sc(C(=O)NNC=C3C=CC(=O)C=C3)cc2C1 13122385 DPKSHAXYSNDURM-NSHDSACASA-N 314.410 2.686 50 3 DFGF CN(C)CCSSCCCNC(=O)[C@H]1CC=CCC1 618009803 JUUCLVBGLRNLGR-ZDUSSCGKSA-N 302.509 2.792 50 1 DFGF COC(=O)c1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2n1 587187450 HHGAXQWOSBIEMS-XFXZXTDPSA-N 304.309 2.809 50 1 DFGF COc1cc(O)c(/C(Cc2ccc(OO)cc2)=N/O)c(OC)c1 49878396 JYTLKRWXEZFIBO-GHRIWEEISA-N 319.313 2.682 50 1 DFGF ClCc1ccc(CN[C@]23O[C@H]4[C@@H]5[C@H]6C[C@H]([C@@H]52)[C@H]2[C@H]3[C@H]4[C@H]62)cc1 1857542752 GUMLISHTDGQOBT-PTDNPXRZSA-N 313.828 2.998 50 1 DFGF Cc1ccc(C)c(C(=O)C[C@@H]2O[C@H](O)[C@@H](Cl)[C@@H]2Cl)c1 105491349 KVGRFPSXOUEZGT-CRWXNKLISA-N 303.185 2.808 50 1 DFGF C/C=C1/CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1cc(O)ccc14 238760669 TXQARMFHKWTSKZ-FJWNSFPISA-N 308.381 2.563 50 1 DFGF CC(C)c1nn(C)c2c1[C@](CCl)(c1ccn(C)c1)NCC2 962916167 IYXRHQRINBNDOW-INIZCTEOSA-N 306.841 2.510 50 1 DFGF FC(F)(F)c1ncc2nc(/C=C\CBr)nc-2[nH]1 586973736 NMOGZSGPBXGTOZ-UPHRSURJSA-N 307.073 2.731 50 1 DFGF C/C(NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)=C1\C=CC=N1 36229394 DADQALCORVCLDT-QGDAWOFLSA-N 301.415 2.979 50 3 DFGF COc1cccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)CCN4)c1 1857764275 BJUYFBCBEXQQSL-GOSISDBHSA-N 319.364 2.881 50 1 DFGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)no1)[C@@H](C2)C3=O 587420829 JDXNYESJDDVZKN-MEDUHNTESA-N 319.744 2.873 50 1 DFGF Cc1nc2[nH]c(CBr)nc2cc1Br 586971218 OPDMYUOFENIWPR-UHFFFAOYSA-N 304.973 2.924 50 1 DFGF Cc1cc(C(=O)NCCCSSCCN)ccc1F 618007797 QMBIKFTUEAQCRN-UHFFFAOYSA-N 302.440 2.594 50 1 DFGF N#C/C(=C\c1ccccc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587187442 HBCVTASTBJULMY-WUXMJOGZSA-N 316.320 2.958 50 1 DFGF C=CCc1cccc(/C=N/NC(=O)CNc2ccccc2)c1O 6997931 PHICBLRJUHTHAI-UDWIEESQSA-N 309.369 2.683 50 1 DFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)no1)O2 587374197 VDAMALYMQDKJHT-HNNXBMFYSA-N 306.749 2.973 50 1 DFGF COC(=O)c1cc(Cl)c2[nH]c(CBr)nc2c1 586971752 YDTDTFQPQYWCOV-UHFFFAOYSA-N 303.543 2.898 50 1 DFGF COc1cccc(/C=N/NC(=O)C(=O)c2c[nH]c3ccccc23)c1 1857644020 QMJYQWXEEMFZAR-KEBDBYFISA-N 321.336 2.510 50 1 DFGF CCOC(=O)NNc1[nH]c(-c2ccccc2)cc1C(=O)OC 40402728 QTMOGYFVFMMULJ-UHFFFAOYSA-N 303.318 2.541 50 1 DFGF NC(=O)N/N=C1\CC2(CCCCCC2)Oc2ccc(O)cc21 98082016 YEXRJIRVBZORQK-QGOAFFKASA-N 303.362 2.640 50 1 DFGF O=C/C=C/c1ccc2c(c1)[C@@H](CO)[C@H](c1ccc(O)c(O)c1)O2 653688533 JDDFIFHTRGAVTR-VXPQZELDSA-N 312.321 2.520 50 1 DFGF COc1ccc(/C=N\NC(=O)c2ccc3ncccc3c2)cc1O 1857545924 HCNBUUDCINOUJX-JAIQZWGSSA-N 321.336 2.713 50 1 DFGF CCOc1ccccc1C(=O)NCCCSSCCN 618007544 CUCMMBOOCCEMOQ-UHFFFAOYSA-N 314.476 2.545 50 1 DFGF Cc1ccc(/C=N/NC(=O)c2c[nH]c3c(F)cccc3c2=O)cc1 653890255 GDOATFDJKHAQKN-ZVBGSRNCSA-N 323.327 2.740 50 1 DFGF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)NN 587859837 JZTUKLMXJXTXIH-UHFFFAOYSA-N 315.160 2.687 50 1 DFGF NNC(=O)c1cccc(-n2nc3cc2Oc2ccc(F)cc2-3)c1 587875460 OVHQMHXMRBJTGW-UHFFFAOYSA-N 310.288 2.388 50 1 DFGF Cc1ccc(C)c(C(=O)C[C@@H]2O[C@H](O)[C@@H](Cl)[C@H]2Cl)c1 105491344 KVGRFPSXOUEZGT-XUXIUFHCSA-N 303.185 2.808 50 1 DFGF N[C@H](CCl)c1nc2c(Cl)c(Br)cnc2[nH]1 587011865 UTMPHGDKUCBCLB-SCSAIBSYSA-N 309.982 2.612 50 1 DFGF O=C(N/N=C/c1cccc(F)c1)c1cc2ccccc2oc1=O 1857552538 KXSPCVYKFFLSQC-VXLYETTFSA-N 310.284 2.696 50 1 DFGF N#C/C(C(=O)Nc1ccc(Br)cn1)=C(/O)C1CC1 38958782 XJGRCOKNYUHRIO-LUAWRHEFSA-N 308.135 2.528 50 1 DFGF CC(C)(O)/C=C/C=C(/C=O)[C@@H]1/C=C(/C=O)CC[C@@H]2O[C@@]2(C)CC1 135870172 GKXYKSRLDXJJIP-MVCFCABJSA-N 318.413 2.912 50 1 DFGF COc1ccc2nc([C@@H](Br)C(C)(C)OC)[nH]c2n1 586971486 SSSVILBPCKRCHM-SECBINFHSA-N 314.183 2.828 50 1 DFGF CCCc1c(O)ccc2c1O[C@H](/C(C#N)=C/N(C)C)CC2=O 587471115 ZNQURPBUQDWKFG-OFAQMXQXSA-N 300.358 2.648 50 1 DFGF O=C(O)c1cccc2c1CCN[C@@]21c2ccccc2C[C@@H]1Cl 963128550 BOAZWAFSZYDQMX-WMZOPIPTSA-N 313.784 2.938 50 1 DFGF N#CC1=COc2cc(F)ccc2[C@]12NCCc1ccc(O)cc12 963328765 IPAWPDLSCOTKON-GOSISDBHSA-N 308.312 2.720 50 1 DFGF [C-]#[N+][C@H]1C(C)=NC2=C(C(=O)OC2)[C@H]1c1ccc2n[nH]c(C)c2c1 169703227 ZPJBJFQOAIBECC-ZBFHGGJFSA-N 306.325 2.528 50 1 DFGF C=C/N=N/[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]24OO3 195258596 SPGUMOTXXSUVDW-WETIGKOJSA-N 322.361 2.723 50 1 DFGF COc1ccc(OC)c(/C=C/C(=O)N/N=C/c2ccccc2)c1 103192017 LMHHCUGAQMREDD-UQNIYPKTSA-N 310.353 2.867 50 1 DFGF O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(F)c(Cl)c1 40934287 LRJGHPSUNUGILQ-GIDUJCDVSA-N 311.656 2.744 50 1 DFGF Cc1ccc(C)c(C(=O)C[C@@H]2O[C@H](O)[C@H](Cl)[C@@H]2Cl)c1 254077112 KVGRFPSXOUEZGT-DGAVXFQQSA-N 303.185 2.808 50 1 DFGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc[nH]1)[C@@H](C2)C3=O 587422128 POBLWZVAWYWBIT-ZBEGNZNMSA-N 303.745 2.905 50 1 DFGF O=C1OC(=O)[C@H]2[C@@H]3O[C@H](C(c4ccccc4)=C3c3ccccc3)[C@H]12 195148421 FALSGXOQZDXLHB-BRSBDYLESA-N 318.328 2.694 50 1 DFGF CCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]23[C@H]1O4 169359136 TZAQQVMCWXHOOC-BSWAFRJZSA-N 309.406 2.844 50 1 DFGF C=CC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@@H](C)CC[C@H]1[C@@]24OO3 141100645 FZTWQIWCFNJTQK-OUAHDOIBSA-N 308.374 2.951 50 1 DFGF CN1C=CN(COCC(C)(C)CBr)/C1=C\N=O 148121615 NLTKBJADVRFRSU-POHAHGRESA-N 304.188 2.666 50 1 DFGF Cc1cccc(/C=N/NC(=O)c2cc3ccccc3oc2=O)c1 1857618593 FKJATRWXSHYSTG-YBFXNURJSA-N 306.321 2.865 50 1 DFGF COc1cc2c3c(c1)O[C@@](CCl)(c1cocn1)[C@@H](C2)C3=O 587421499 MONZNUNBAWUOOP-ZUZCIYMTSA-N 305.717 2.565 50 1 DFGF CCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]23[C@@H]1O4 43910553 TZAQQVMCWXHOOC-IJVGXZNQSA-N 309.406 2.844 50 1 DFGF CC=C(COC(C)=O)C(=O)O[C@H]1C(C)=CC=C(C=O)C1(C)C 2356440122 OKPRNLNBOBRCMN-HNNXBMFYSA-N 306.358 2.519 50 1 DFGF CC(C)(O)C=CC=C(C=O)[C@@H]1C=C(C=O)CC[C@H]2O[C@@]2(C)CC1 2356481171 GKXYKSRLDXJJIP-WDYCEAGBSA-N 318.413 2.912 50 1 DFGF COC(=O)c1ccnc2[nH]c(/C(C#N)=C\c3ccccc3)nc12 587188900 WQGZOBKNFJAYFX-XFXZXTDPSA-N 304.309 2.809 50 1 DFGF CC(=O)OCC(C)=CC(=O)O[C@@H]1C=CC(C)(C)C(C)=C1C=O 2356759432 PSQVEMACZNFARQ-OAHLLOKOSA-N 306.358 2.519 50 1 DFGF COc1ccccc1Sc1ccccc1/C=N/NC(N)=O 346470 IIOJKNJSBJPBLY-LICLKQGHSA-N 301.371 2.849 50 3 DFGF CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(O)c1 13586174 DUKYMSVBECFNBN-KRWDZBQOSA-N 307.353 2.676 50 1 DFGF CN(C)CCSSCCCn1cc(-c2cccnc2)nn1 618009739 HITNVUUMZKYPQT-UHFFFAOYSA-N 323.491 2.673 50 1 DFGF CC=C1CN2CC[C@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1ccc(OC)cc14 2356526698 HGYZMLFMOQSVFN-BOUXLOLZSA-N 322.408 2.866 50 1 DFGF O=C(NNc1c2c(nc3ccccc13)CCCC2)c1cnccn1 71341259 RYYGMJREVXCMKQ-UHFFFAOYSA-N 319.368 2.661 50 1 DFGF O=C(CBr)N[C@@H]1CCc2[nH]c3ccccc3c2C1 13777717 PYQPNPOUJPDQJM-SECBINFHSA-N 307.191 2.536 50 1 DFGF CC(=O)O[C@@H]1C[C@H](C)C(C=O)=C2[C@@H]1C(C)(C)C[C@]2(C)C(=O)O 2356721164 WJDMOSUZDQFRMJ-SGMVDAIASA-N 308.374 2.590 50 1 DFGF O=C(CNc1ccc(C(F)(F)F)cc1)N/N=C/c1ccncc1 201288472 MGPIKLUDYRKGEL-ZVBGSRNCSA-N 322.290 2.663 50 1 DFGF COC(=O)[C@H](Cl)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587495230 CCJPBSCIGBXLKX-UONOGXRCSA-N 308.761 2.680 50 1 DFGF CCc1ccc(OCC(=O)N/N=C2\CC(=O)c3ccccc32)cc1 100546964 NTCDOWNXPSCQRK-LVZFUZTISA-N 322.364 2.735 50 3 DFGF C[C@@H]1CC[C@H]2C(=C3CC3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 42876860 PQJXKBAGARSFBA-AESOJRFVSA-N 306.358 2.849 50 1 DFGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCl)c1cnnn1C 963239009 IPISVWNTCORGQG-DYVFJYSZSA-N 318.852 2.954 50 1 DFGF C[C@H]1O[C@]23C[C@H](c4ccc(F)cc4)OC(=O)C2=C[C@@]1(C)OO3 96934019 RFCPLFWKNSJFOT-BBDZHYCFSA-N 306.289 2.576 50 1 DFGF C[C@@H]1CC[C@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 253635867 DUCAQABZHGWIFT-CLWVCHIJSA-N 310.415 2.986 50 1 DFGF O=C(N/N=C/c1ccccc1Cl)Nc1nnc(S)s1 28863625 CGRVHZIOGDYGJY-LFYBBSHMSA-N 313.795 2.636 50 1 DFGF O=C(COc1ccccc1)N/N=C\c1cccc2cccnc12 33314085 SARWOZAMWPSTJM-NDENLUEZSA-N 305.337 2.764 50 1 DFGF Cc1ccc(/C=C(\C#N)c2nc3c(O)nc(S)nc3[nH]2)cc1 587187519 IBIHOVFUTSLFLK-UXBLZVDNSA-N 309.354 2.720 50 1 DFGF COc1ccc(/C=N/NC(=O)C2[C@H]3CCCC[C@H]23)cc1OC 101682949 YAPLJVZRQGASNZ-RAPDUPMSSA-N 302.374 2.590 50 3 DFGF CN(C)CCSSCCNC(=O)c1cccc(F)c1F 618008341 YPJNZARPBSQFAD-UHFFFAOYSA-N 320.430 2.638 50 1 DFGF O=C(CNc1ccccc1)N/N=C/c1c(Cl)cncc1Cl 201286950 CXTQDTRIOAHNIB-KPSZGOFPSA-N 323.183 2.951 50 1 DFGF C[C@H](Cl)C(=O)c1c(CO)oc2cc(Br)cnc12 587275445 AXNBKFILQGYZIZ-YFKPBYRVSA-N 318.554 2.893 50 1 DFGF CCO/C(O)=C(C#N)\C(C)=N\c1ccnc(-c2ccncc2)n1 100053375 AQAWEJSFJZVEEZ-RFCRYLJLSA-N 309.329 2.961 50 1 DFGF C=CC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]24OO3 195261954 FZTWQIWCFNJTQK-SSDWSKNDSA-N 308.374 2.951 50 1 DFGF COC(C)(C)[C@@H](Br)c1nc2c(Cl)ncnc2[nH]1 586970895 LYFHARHSKHBXJD-LURJTMIESA-N 319.590 2.867 50 1 DFGF CC(C)(NC(=O)CCl)c1nc2cnc3ccccc3c2[nH]1 587010000 YWIJNIFIWJULFB-UHFFFAOYSA-N 302.765 2.701 50 1 DFGF O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)c(O)c1 13864065 GTHAQKPCTZWSIV-VXLYETTFSA-N 322.320 2.721 50 1 DFGF C=C1CC[C@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 100834525 AHJRFLWRENLSDT-IMJJTQAJSA-N 308.399 2.906 50 1 DFGF C[C@@H]1OC2(CCN(C)CC2)C/C1=N\NC(=O)CC1CCCCC1 26569660 HWMSBANARXJQOM-XZKWLNOSSA-N 321.465 2.702 50 1 DFGF COc1ccc(/C(C)=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)c(OC)c1 263592126 PUFQPZYQNXCCHI-RFHGAOBGSA-N 316.401 2.980 50 3 DFGF CC(C)(NC(=O)CCl)c1nc2c(Cl)c(Cl)cnc2[nH]1 587009466 GZYXTBRZWRPSDQ-UHFFFAOYSA-N 321.595 2.855 50 1 DFGF Nc1ccccc1[C@@]1(CCl)NCCc2nc3ccccn3c21 962988282 XULUAKZMWCMABS-QGZVFWFLSA-N 312.804 2.545 50 1 DFGF O=C(NN=C1[C@H]2CC3C[C@@H]1CC(Cl)(C3)C2)c1ccccn1 13571519 BPFFHKLAWWUZIM-PFBBNDLVSA-N 303.793 2.985 50 1 DFGF N#Cc1ccc2c(C(=O)c3ccc4c(c3)C(=O)OC4=O)coc2c1 587278950 XOMFIMCBELFDGV-UHFFFAOYSA-N 317.256 2.846 50 1 DFGF C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)C(C)(C)CCl)cc1 27887567 NDJKERVLCKVGEX-SNVBAGLBSA-N 321.808 2.750 50 1 DFGF O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1 169336540 IOBNNWDREPNCJS-UHFFFAOYSA-N 306.205 2.861 50 1 DFGF COC(=O)c1ccc2nc([C@@H](Cl)CCl)[nH]c2c1OC 587008136 KSYQIAXHHIZLNT-ZETCQYMHSA-N 303.145 2.877 50 1 DFGF N#CSCCOc1ccccc1I 27314120 NIQHSEVRNGSKMY-UHFFFAOYSA-N 305.140 2.884 50 1 DFGF O=C1COc2cc3[nH]c(CCCCBr)nc3cc2N1 586972509 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CC(=O)OC/C(C)=C/C(=O)O[C@@H]1C=C(C=O)C(C)(C)C=C1C 15215667 RYGKALGARMELFA-KDHUCADRSA-N 306.358 2.519 50 1 DFGF Cc1ccccc1/C=N/NC(=O)c1c[nH]c2c(F)cccc2c1=O 653857983 WQWZNCPOKFTXBV-ZVBGSRNCSA-N 323.327 2.740 50 1 DFGF NOCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 44086631 MTMACWPDTDDCCB-UHFFFAOYSA-N 309.406 2.894 50 1 DFGF COc1ccc(C=C(C#N)C(=O)OC(C)C)c(OC)c1OC 2356295981 ZFPMABVFFHSNSY-UHFFFAOYSA-N 305.330 2.571 50 1 DFGF N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCCN)n1 13647723 RADOLOVYQGMCSK-RVDMUPIBSA-N 324.413 2.647 50 1 DFGF C[n+]1cccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)c1 4934142 SUKWMNRHOFOFIS-SFHVURJKSA-N 314.368 2.882 50 3 DFGF C[n+]1cccc2ccc3c(c21)OC(N)=C(C#N)[C@@H]3c1ccccc1 546890 OUNNHNGCXQLNFQ-QGZVFWFLSA-N 314.368 2.882 50 3 DFGF Oc1cc2c(cc1O)C[C@H](N(CCCl)CCCl)CC2 29553264 JJDBHSVTWIQRLM-GFCCVEGCSA-N 304.217 2.735 50 1 DFGF O=C(CBr)N[C@H]1CCc2[nH]c3ccccc3c2C1 13777719 PYQPNPOUJPDQJM-VIFPVBQESA-N 307.191 2.536 50 1 DFGF COc1cncc([C@@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)c1 34052719 BKOTYOGRZOKSQO-INIZCTEOSA-N 318.336 2.790 50 1 DFGF O=[N+]([O-])c1cc2nc([C@H](Cl)CCl)[nH]c2cc1[N+](=O)[O-] 587009058 UNJFTOKQSOWDLL-SCSAIBSYSA-N 305.077 2.898 50 1 DFGF O=C(NN/C=N\c1ccc(Cl)c(Cl)c1)c1ccncc1 73140084 ITPZQBQPDMYVBX-UHFFFAOYSA-N 309.156 2.983 50 1 DFGF COc1cc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2cc1C 586906257 KJHJKBLWPKABFS-UHFFFAOYSA-N 308.293 2.858 50 1 DFGF CCCOc1cccc(Cc2nc3ccc(C(=O)NN)cc3[nH]2)c1 587779030 UCFUFGKQCAHZDD-UHFFFAOYSA-N 324.384 2.546 50 1 DFGF CC(=O)Nc1cccc(C(=O)NN/C=C2\C=Nc3ccccc32)c1 12475138 PJQXTFJKSBIMAU-SDNWHVSQSA-N 320.352 2.636 50 3 DFGF O=C(CNc1cccc(F)c1Cl)N/N=C/c1ccccc1O 96167315 QMVXCAQNBOXQBG-UFWORHAWSA-N 321.739 2.747 50 1 DFGF CC(=O)OC/C(C)=C/C(=O)O[C@H]1C=CC(C)(C)C(C)=C1C=O 14559703 PSQVEMACZNFARQ-SHQCLWGWSA-N 306.358 2.519 50 1 DFGF CO[C@@]12CCC[C@@H](C1)[C@@](C)(CI)OO2 43947596 CHBBLXJUKACYNX-IVZWLZJFSA-N 312.147 2.675 50 1 DFGF O=C(NNc1ccc(O)cc1)c1ccc(Br)cc1 3076461 MORVWFLDLASWHJ-UHFFFAOYSA-N 307.147 2.912 50 3 DFGF C[C@@H]1CC[C@H]2[C@@H](CCC#N)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 43888645 XSARECGQOICFGG-BZSCCJIWSA-N 321.373 2.679 50 1 DFGF CN(CC(=O)N/N=C/c1ccncc1)c1ccc2ccccc2c1 5849779 COFIAYLPZIZOLZ-FYJGNVAPSA-N 318.380 2.821 50 1 DFGF CC[C@]1(C(=O)OC(C)=O)CC(=O)c2ccc3c(c2O1)CCCC3 587523657 OFQOUGZXEKTJLY-GOSISDBHSA-N 316.353 2.769 50 1 DFGF C=CC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 43872093 FZTWQIWCFNJTQK-JUCPXWHTSA-N 308.374 2.951 50 1 DFGF COc1n[nH]c2ccc(C3C(C#N)=C(C)NC(C)=C3C#N)cc12 68151701 OGCUTLYTKFGWRW-UHFFFAOYSA-N 305.341 2.853 50 1 DFGF COc1ccc(/C=C(\C#N)C(=O)ONC2=NCCCCC2)cc1 13122130 FAEQHCLVRHWFSZ-SDNWHVSQSA-N 313.357 2.622 50 3 DFGF COC(C)(C)[C@@H](Br)c1nc2ccc(CO)cc2[nH]1 586971694 WQLPOSXTLXZWRI-NSHDSACASA-N 313.195 2.916 50 1 DFGF COC(=O)[C@H](C)[C@@H]1CC[C@@](CCCC=CC(C)=O)(OC)OO1 2356403754 UACRRWTTYXVDEF-YCPHGPKFSA-N 314.378 2.564 50 1 DFGF CC(C)(F)[C@@H](Br)c1nc2c(O)nc(S)nc2[nH]1 587087075 LPCNZZCIGPEBGM-BYPYZUCNSA-N 321.175 2.531 50 1 DFGF ClC[C@@H](Cl)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587008848 QZFYOOLSBDBBOB-LLVKDONJSA-N 314.216 2.914 50 1 DFGF O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc2ccccc2n1 3241939 AWDXYPNDQWGNIR-VXLYETTFSA-N 319.320 2.727 50 3 DFGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(CCCl)c1)O2 587376038 PMDKNPBZMDIIIJ-AWEZNQCLSA-N 305.765 2.719 50 1 DFGF COc1cc2c3c(c1)O[C@](CCl)(C1CCOCC1)[C@@H](C2)C3=O 587422682 REBLSYHJLXDSMP-SUMWQHHRSA-N 322.788 2.847 50 1 DFGF CC(C)(O)C=CC=C(C=O)[C@@H]1C=C(C=O)CC[C@@H]2O[C@@]2(C)CC1 2356481168 GKXYKSRLDXJJIP-IEZWGBDMSA-N 318.413 2.912 50 1 DFGF NNC(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 587161436 NYTKIMMQQHJIBJ-OLZOCXBDSA-N 310.332 2.577 50 1 DFGF CC(=O)OC[C@@H](C)CC(=O)O[C@H]1C=C(C=O)C(C)(C)C=C1C 2356515400 NLOIJAZSDLBQKU-NHYWBVRUSA-N 308.374 2.599 50 1 DFGF O=C(Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)CCl 26166176 XAYVDLPTLRMFNY-INIZCTEOSA-N 315.800 2.765 50 1 DFGF C=CCN1C(=O)[C@H](C)[C@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]32[C@@H]1O4 195234940 QQZLTIARXCHPNN-NACHVIBHSA-N 321.417 2.866 50 1 DFGF O=C(N/N=C\c1ccc(Br)s1)c1cccnc1 13113657 BAGDMMOWNQRIGO-AUWJEWJLSA-N 310.176 2.670 50 1 DFGF C=CC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169320728 FZTWQIWCFNJTQK-GLEQOYQSSA-N 308.374 2.951 50 1 DFGF Cc1nccn1CCC(=O)N/N=C/c1c(O)ccc2ccccc12 96929698 XHNDPRXTDHMKTD-UDWIEESQSA-N 322.368 2.591 50 1 DFGF CCOC1=C/C(=C2/C(C#N)=C(N)NC3=C2CCC[C@@H]3C)C=CC1=O 100562904 TWICHGJKEMKGJO-GBTTUNCCSA-N 323.396 2.713 50 1 DFGF Cc1ccc(/C=N\NC(=O)c2ccc3c(c2)OCCO3)s1 13110391 IGIZYZMHUYYVJM-SXGWCWSVSA-N 302.355 2.592 50 1 DFGF COC(C)(C)[C@@H](Br)c1nc2cnc(Cl)[nH]c-2n1 586970472 FJJSWGFUGDFVEW-LURJTMIESA-N 319.590 2.819 50 1 DFGF C[C@@H]1CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 100837316 DUCAQABZHGWIFT-VDERGJSUSA-N 310.415 2.986 50 1 DFGF C=C1[C@H](OO)CCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@@H]2C[C@H]1OC(C)=O 2356753181 CEBJBFICGZLFAO-XNNBJJOUSA-N 324.373 2.640 50 1 DFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c[nH]c(C=O)c1)O2 587374409 XQFZCLHCPMFLBK-INIZCTEOSA-N 318.760 2.817 50 1 DFGF COc1cc2c3c(c1)O[C@](CBr)(C1CC1)[C@@H](C2)C3=O 587412672 JRKOCEBLKWNSOL-XHDPSFHLSA-N 323.186 2.986 50 1 DFGF CC(=O)OC/C(C)=C/C(=O)O[C@@H]1C(C)=CC=C(C=O)C1(C)C 14511379 UGWAKJANSZEVRT-YCABEKBOSA-N 306.358 2.519 50 1 DFGF C/C=C1\CCN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1c(O)cccc14 238789868 APTBAXHXUSTNJD-ZAZWIPODSA-N 322.408 2.953 50 1 DFGF COc1cc2nc(C(C)(C)NC(=O)CCl)[nH]c2cc1Cl 587010021 ZIFSHIRJKKOKOZ-UHFFFAOYSA-N 316.188 2.815 50 1 DFGF Nc1cc(C(=O)N/N=C/c2ccc(O)c3ccccc23)ccc1O 13864064 PDNCSGRFNIBUMJ-KEBDBYFISA-N 321.336 2.597 50 1 DFGF Cc1ccc(F)cc1C(=O)NCCSSCCN(C)C 618007823 JSCQKFGRYWFOPW-UHFFFAOYSA-N 316.467 2.807 50 1 DFGF Cc1cccc(/C=N/NC(=O)c2ccc3c(c2)OCCCO3)c1 1772575485 WZYZZIONHFVULX-XDHOZWIPSA-N 310.353 2.920 50 1 DFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(C1CCOCC1)O2 587374375 XKFMTYIOFXQTOG-MRXNPFEDSA-N 309.793 2.947 50 1 DFGF CCn1nc(C)c(/C=N\NC(=O)c2c[nH]c3ccccc23)c1C 13111517 ZOTYKHWGDRVZAA-GRSHGNNSSA-N 309.373 2.765 50 1 DFGF CC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@@H]1COCC(=O)O 195216252 YZMHSHIQHKGJPD-VXGBXAGGSA-N 304.459 2.657 50 1 DFGF NCCCCNCc1ccc(N(CCCl)CCCl)cc1 29135293 KYSIVDFYTGJDSK-UHFFFAOYSA-N 318.292 2.799 50 1 DFGF CCc1ccccc1N1N=C2COC(C)(C)C=C2C(C#N)=C1N 13838673 BIDXOYJJLKHRET-UHFFFAOYSA-N 308.385 2.854 50 1 DFGF COc1cc(/C=C(/C=O)c2ccc(O)c(OC)c2)ccc1O 225798885 IDJCIWTUMGTOMT-QPEQYQDCSA-N 300.310 2.855 50 1 DFGF C/C=C(/COC(C)=O)C(=O)O[C@@H]1C(C)=CC=C(C=O)C1(C)C 238784879 OKPRNLNBOBRCMN-IIEJUSTOSA-N 306.358 2.519 50 1 DFGF CC(C)(NC(=O)CCl)c1nc2cc(C(F)(F)F)cnc2[nH]1 587009504 ITIJAEXDFLKMCQ-UHFFFAOYSA-N 320.702 2.567 50 1 DFGF C[C@@H]1CC[C@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 38148229 DUCAQABZHGWIFT-BFJAYTPKSA-N 310.415 2.986 50 1 DFGF COc1cc2c3c(c1)O[C@H](c1cnn(CCCl)c1)[C@@H](C2)C3=O 587420880 JMYJUALPUUSWEM-BLLLJJGKSA-N 318.760 2.619 50 1 DFGF O=C1OC(=O)[C@H]2[C@H]1[C@H]1O[C@H]2C(c2ccccc2)=C1c1ccccc1 169361010 FALSGXOQZDXLHB-XSLAGTTESA-N 318.328 2.694 50 1 DFGF Cc1cccc(/C=N/NC(=O)c2c[nH]c3c(F)cccc3c2=O)c1 653861060 KGUINRARVCSKOM-ZVBGSRNCSA-N 323.327 2.740 50 1 DFGF CN1CCN(c2ccc3nc([C@H](Cl)CCl)[nH]c3c2)CC1 587007378 CWNCUUXXJVEUBB-LLVKDONJSA-N 313.232 2.833 50 1 DFGF Cc1ccc(-c2cnnc(NNC(=O)Cc3ccccc3)n2)cc1 1842280 GUMGRLRXRKAHMJ-UHFFFAOYSA-N 319.368 2.533 50 1 DFGF COc1cc(/C=C/C=N/NC(=O)c2ccccc2O)ccc1O 95809728 ISLSBMWSKADFSP-NBGMOQMUSA-N 312.325 2.535 50 1 DFGF CC(C)c1nn(C)c2c1[C@@](CCl)(c1ccn(C)c1)NCC2 962916170 IYXRHQRINBNDOW-MRXNPFEDSA-N 306.841 2.510 50 1 DFGF CCO/C=N/C1=C(C#N)[C@@H]2CCCN2C(=O)N1c1ccccc1 45256314 AHTQANLZJJGHFL-UZUMKDMXSA-N 310.357 2.891 50 1 DFGF CC1=CC2=C(NNC(=O)c3cccc(F)c3)CCCC2=CC1=O 13125748 RJVGGBQYNRABQO-UHFFFAOYSA-N 312.344 2.954 50 3 DFGF COc1cc2c3c(c1)O[C@H](CCCBr)[C@@H](C2)C3=O 587415059 ZYJXVXHPELNFTA-GHMZBOCLSA-N 311.175 2.986 50 1 DFGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccccn1)[C@@H](C2)C3=O 587422689 RFMZOFJOYBQBSD-YVEFUNNKSA-N 315.756 2.972 50 1 DFGF Cc1ccc(/C=C(/C#N)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 587187126 COTMDFRWYWPYKK-POHAHGRESA-N 310.748 2.743 50 1 DFGF CC1=Nc2ccccc2/C1=C/NNC(=O)CCc1c(C)n[nH]c1C 13120590 CFCALKONWUNFKC-MHWRWJLKSA-N 323.400 2.727 50 3 DFGF C/C(=N\NC(=O)c1ccc(C(F)(F)F)cc1)c1cnccn1 28964351 JKWJCTNCHPWHEJ-AWQFTUOYSA-N 308.263 2.649 50 1 DFGF O=C(N/N=C/c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1O 1772636883 IFJVUYVEYQYSAY-GIJQJNRQSA-N 324.296 2.546 50 1 DFGF CCOC(=O)c1cc(-c2ccccc2)[nH]c1NNC(=O)C(C)C 40900632 VBXLSLYIHRZCAI-UHFFFAOYSA-N 315.373 2.958 50 1 DFGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc[nH]1)[C@@H](C2)C3=O 587422125 POBLWZVAWYWBIT-MEDUHNTESA-N 303.745 2.905 50 1 DFGF COc1nccc2nc([C@H](Br)C(C)(C)OC)[nH]c12 586971691 WPSMNULSIFUGPT-VIFPVBQESA-N 314.183 2.828 50 1 DFGF CC(C)CN(Cc1ccc(C(N)=O)cc1)C(=O)/C=C/[C@H](C)Cl 103288223 JDEFLXKYDGBOQK-FAFAAHBOSA-N 322.836 2.954 50 1 DFGF COc1cc2c3c(c1)O[C@](CCl)(c1ccn(C)c1)[C@@H](C2)C3=O 587423746 VUTULSCMWITDTH-SUMWQHHRSA-N 317.772 2.915 50 1 DFGF COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1ccccc1 19174 ISODDTDFQWKTLP-UHFFFAOYSA-N 323.396 2.539 50 1 DFGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cnon1)CC2=O 587459164 GIAZWPVKRIBLHZ-OAHLLOKOSA-N 322.748 2.827 50 1 DFGF [C-]#[N+][C@@H]1C(C)=NC2=C(C(=O)OC2)[C@@H]1c1ccc2n[nH]c(C)c2c1 169703224 ZPJBJFQOAIBECC-GOEBONIOSA-N 306.325 2.528 50 1 DFGF CCCc1c(O)ccc2c1O[C@H](/C(C#N)=C\N(C)C)CC2=O 587471117 ZNQURPBUQDWKFG-SNGWPZLWSA-N 300.358 2.648 50 1 DFGF COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(N(C)C)ccc21 13586197 FUBZFCWMCGQOOE-GOSISDBHSA-N 321.380 2.979 50 1 DFGF O=C(NNc1nc2cc(F)ccc2n2cccc12)c1cccnc1 28640448 BPRZORYYIMUWKB-UHFFFAOYSA-N 321.315 2.779 50 1 DFGF Oc1nc(O)c2ccc([C@@H](Cl)c3ccc(F)cc3)nc2n1 587369458 IPLPWPYMQGSHGY-NSHDSACASA-N 305.696 2.903 50 1 DFGF Oc1nc(O)c2cc3c(nc2n1)[C@H](Br)CCCC3 587367548 YHKRPVPADJSELQ-MRVPVSSYSA-N 310.151 2.598 50 1 DFGF C/C=C(\C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C=O 587874958 LJFUFGIRVLXPDM-BIIKFXOESA-N 310.180 2.801 50 1 DFGF Sc1nc(S)c2nc(CCCCBr)[nH]c2n1 586972393 PEJIHEPNQGNDCS-UHFFFAOYSA-N 319.253 2.648 50 1 DFGF C=CC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 141100845 FZTWQIWCFNJTQK-UWTPWHAJSA-N 308.374 2.951 50 1 DFGF CO[C@]12CCC[C@@H](C1)[C@](C)(CI)OO2 101354267 CHBBLXJUKACYNX-GUBZILKMSA-N 312.147 2.675 50 1 DFGF CC(=O)O[C@@H]1C[C@H](C)C(C=O)=C2[C@H]1C(C)(C)C[C@@]2(C)C(=O)O 2356721163 WJDMOSUZDQFRMJ-RTBGXRGXSA-N 308.374 2.590 50 1 DFGF O=C1/C(=N/c2ccccc2O)[C@H](Cl)C(=O)N1c1ccccc1 169688746 PDMOLZBJGXZMJQ-SUXRJGGNSA-N 314.728 2.646 50 1 DFGF Fc1cnc(Br)c2[nH]c(CBr)nc12 586972384 OVGZTLDBBSTDKH-UHFFFAOYSA-N 308.936 2.754 50 1 DFGF O=C(N/N=C/c1ccc(F)cc1)c1ccc2c(c1)OCCCO2 1772613303 QPOBVYDIILQDQY-YBFXNURJSA-N 314.316 2.751 50 1 DFGF COc1ccc(/C=N\NC(=O)CCn2cnc3ccccc32)cc1 33324215 NEXBEGNBBBAVQC-NDENLUEZSA-N 322.368 2.585 50 1 DFGF COc1nn(CCCBr)c2ccc([N+](=O)[O-])cc12 45389533 PZXLDZBZLXYBGI-UHFFFAOYSA-N 314.139 2.738 50 1 DFGF Oc1nc(O)c2cc3c(nc2n1)[C@@H](Br)CCCC3 587367550 YHKRPVPADJSELQ-QMMMGPOBSA-N 310.151 2.598 50 1 DFGF Cc1ccccc1N1C(=O)[C@H](Cl)[C@@]12C(=O)Nc1ccccc12 103167059 NWSSYYHNVQTMCM-YOEHRIQHSA-N 312.756 2.797 50 1 DFGF C=C(c1ccc(OC)cc1)[C@@H]1COC2(CCC(=O)CC2)OO1 44052618 LUVNWXBWOWDQIK-INIZCTEOSA-N 304.342 2.895 50 1 DFGF COC(=O)c1cc2[nH]c([C@H](C)Br)nc2cc1OC 587008177 JADUQRGMYYKQME-LURJTMIESA-N 313.151 2.814 50 1 DFGF CC=C(C=O)[C@@H]1C[C@H]2NCCc3c2n(c2ccccc32)[C@H](O)C1 2356670678 YQIYGKCKHVXNPT-MZMPZRCHSA-N 310.397 2.874 50 1 DFGF O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc(B(O)O)cc1 195307213 ZQMRHMBLAHIWOG-KRXBUXKQSA-N 320.968 2.569 50 1 DFGF Cc1ccccc1/C=N/NC(=O)c1ccc2c(c1)OCCCO2 1772607354 DMFYMYHHZBOJEH-XDHOZWIPSA-N 310.353 2.920 50 1 DFGF O=NN(CCCl)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 5371301 OHWQJBCIAXWENR-AWEZNQCLSA-N 324.812 2.583 50 1 DFGF C[C@@H]1CC[C@@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 100833618 DUCAQABZHGWIFT-LUYZLQTOSA-N 310.415 2.986 50 1 DFGF O=C(N[C@@H](Cc1ccccc1)C(=O)CCl)c1ccccc1 26151764 CIHKEEALDXBGPE-HNNXBMFYSA-N 301.773 2.836 50 1 DFGF COc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 34052963 XZVMSUCGEVBBHO-MRXNPFEDSA-N 323.308 2.822 50 1 DFGF CO[C@H]1O[C@@]2(C)OO[C@]13[C@H](CCO)CCC[C@@H]3CC2(C)C 100862006 BCUBFQJBIVOSFG-AKIOZOGOSA-N 300.395 2.621 50 1 DFGF C#CCn1c(-c2ccccc2)c(/C=N/NC(N)=O)c2ccccc21 103222186 LVTDBWGCKYPXCC-FYJGNVAPSA-N 316.364 2.944 50 1 DFGF CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)CC[C@]3(CN)CC[C@@H]12 71316016 SVLFCAZCCBBUPC-ZOCIIQOWSA-N 312.413 2.696 50 1 DFGF COC(C)(C)[C@@H](Br)c1nc2cc(F)cnc2[nH]1 586970569 COQBSODKSMTXBA-QMMMGPOBSA-N 302.147 2.958 50 1 DFGF C=CC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169320727 FZTWQIWCFNJTQK-QAJINGOLSA-N 308.374 2.951 50 1 DFGF C[C@H]1O[C@]23C[C@@H](c4ccc(F)cc4)OC(=O)C2=C[C@@]1(C)OO3 96934017 RFCPLFWKNSJFOT-XXIOGYHUSA-N 306.289 2.576 50 1 DFGF C=C1Nc2c(N=Nc3ccc(C)cc3)c(N)nn2C(N)=C1C#N 958004527 NQXAICJDZWKXCB-UHFFFAOYSA-N 306.333 2.779 50 1 DFGF CC=C(C=O)[C@@H]1C[C@@H]2NCCc3c2n(c2ccccc32)[C@@H](O)C1 2356670681 YQIYGKCKHVXNPT-SKDZVZGDSA-N 310.397 2.874 50 1 DFGF C=CCN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]32[C@H]1O4 100860710 QQZLTIARXCHPNN-QNHMRRABSA-N 321.417 2.866 50 1 DFGF CC(=O)[C@]1(Cc2ccc([N+](=O)[O-])cc2)CC[C@]2(C)OO[C@@]1(C)O2 473086317 HIAFXEQUTKMXKP-ARFHVFGLSA-N 321.329 2.917 50 1 DFGF COC(=O)[C@@H]1[C@](C)(O)C[C@@H]2O[C@]23C(C)(C)[C@@H](Cl)CC[C@]13C 2356503304 CNNDPTJJQLGZBJ-DRSWQUORSA-N 316.825 2.502 50 1 DFGF COc1cc(O)c(C(=O)Cc2ccc(OO)cc2)c(OC)c1 49872069 SNLMZTLRMJSZRS-UHFFFAOYSA-N 304.298 2.687 50 1 DFGF COc1ccc(/C=N/NC(=O)c2cc3ccccc3oc2=O)cc1 1857632292 ISKJFPOLMGPZEG-YBFXNURJSA-N 322.320 2.566 50 1 DFGF Cc1ccc(N2C(=O)[C@H](Cl)[C@@]23C(=O)Nc2ccccc23)cc1 103222536 NFMFQJGWSXSIOP-YOEHRIQHSA-N 312.756 2.797 50 1 DFGF CC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)[C@H]2c1ccc(F)cc1 35030214 KUSGTXCESJYFIM-OAHLLOKOSA-N 311.360 2.850 50 1 DFGF C[C@@]1(CC(=O)NCc2ccccn2)CC2(CCCCC2)OO1 49694415 QWQVLGPEHGKMST-MRXNPFEDSA-N 304.390 2.901 50 1 DFGF Cc1ccc(/C=C(\C#N)c2nc3ccc(C(=O)NN)cc3[nH]2)cc1 587187408 GWKOXOXYEKSGDL-RIYZIHGNSA-N 317.352 2.539 50 1 DFGF NNC(=O)c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1 587057601 CFQDZDHXGGNEML-UHFFFAOYSA-N 314.776 2.605 50 1 DFGF CC(=O)OC/C(C)=C/C(=O)O[C@@H]1C=CC(C)(C)C(C)=C1C=O 14559700 PSQVEMACZNFARQ-KUCQQTCKSA-N 306.358 2.519 50 1 DFGF CCc1ccc(-c2cc(C(=O)N/N=C\c3ccccn3)[nH]n2)cc1 13115072 KSTBYPZYRDPHJC-NDENLUEZSA-N 319.368 2.798 50 1 DFGF CC(C)c1csc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)n1 45300964 RYVBVPNDWHACED-VIZOYTHASA-N 318.358 2.939 50 1 DFGF C=CC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 43872090 FZTWQIWCFNJTQK-BZSCCJIWSA-N 308.374 2.951 50 1 DFGF NNC(=O)c1ccc2nc(-c3cc(N)cc4ccccc34)[nH]c2c1 587252545 ZBFUYGKLXYJPOT-UHFFFAOYSA-N 317.352 2.569 50 1 DFGF Cc1ccc(CC(=O)NCCSSCCN(C)C)cc1 618008475 HFBIPARITNAVHD-UHFFFAOYSA-N 312.504 2.597 50 1 DFGF CCOC(=O)/C(C#N)=C\Nc1ccc(C(=O)OCC)c(Cl)c1 45358896 COCDDTMWFJEYMN-KTKRTIGZSA-N 322.748 2.899 50 1 DFGF CN(C)CCSSCCCNC(=O)Cc1ccsc1 618010132 QEHPYXNTXTVENQ-UHFFFAOYSA-N 318.533 2.740 50 1 DFGF O=C1C(Cl)=C(OCCCCl)C(=O)c2c(O)ccc(O)c21 5566513 PHWVXXRUQVIBQQ-UHFFFAOYSA-N 317.124 2.573 50 1 DFGF N#Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 138402251 MMXSSTOAIDAMNL-UHFFFAOYSA-N 313.225 2.594 50 1 DFGF CC1(C)[C@H](Cl)C(=O)C(C(=O)c2ccccc2)C(=O)[C@@H]1Cl 100319445 NZERTSNECSBYNG-CGVNVENRSA-N 313.180 2.878 50 1 DFGF CC(=O)OC/C=C(\C)C[C@@H]1C=C(CC/C=C(\C)C=O)C(=O)O1 14498363 PUBGBXLWCIPNDH-WVMUNICASA-N 306.358 2.663 50 1 DFGF C[n+]1cccc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)c1 549577 SUKWMNRHOFOFIS-GOSISDBHSA-N 314.368 2.882 50 3 DFGF O=C(NNCCc1ccccc1)c1ccc(Br)cc1 206503006 PHEVVCRULNVOLA-UHFFFAOYSA-N 319.202 2.926 50 1 DFGF O=[N+]([O-])c1cccc(OCc2nnc(SCCCl)o2)c1 82156010 JRWISSMWWLMVDN-UHFFFAOYSA-N 315.738 2.888 50 1 DFGF COC(=O)[C@@H](Cl)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587495228 CCJPBSCIGBXLKX-KGLIPLIRSA-N 308.761 2.680 50 1 DFGF C=CC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169320730 FZTWQIWCFNJTQK-BKWNQFIZSA-N 308.374 2.951 50 1 DFGF COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(N(C)C)ccc21 13586195 FUBZFCWMCGQOOE-SFHVURJKSA-N 321.380 2.979 50 1 DFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(C1CCOCC1)O2 587374370 XKFMTYIOFXQTOG-INIZCTEOSA-N 309.793 2.947 50 1 DFGF COc1ccc(/C(C)=N/NC(=O)C2[C@@H]3CCCC[C@@H]23)c(OC)c1 101708633 PUFQPZYQNXCCHI-ACIMENLPSA-N 316.401 2.980 50 3 DFGF Cc1cc(C)c[n+](-c2nc3ccccc3nc2C(=C=N)C#N)c1 6404256 UGLAPLILXUWUJE-UHFFFAOYSA-N 300.345 2.679 50 3 DFGF C[C@H]1CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 100837318 DUCAQABZHGWIFT-XRGAULLZSA-N 310.415 2.986 50 1 DFGF O=C(O)c1cccc2c1CCN[C@]21c2ccccc2C[C@H]1Cl 963128548 BOAZWAFSZYDQMX-SJLPKXTDSA-N 313.784 2.938 50 1 DFGF C=C/N=N\[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 169365191 SPGUMOTXXSUVDW-KUHOAKAKSA-N 322.361 2.723 50 1 DFGF COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)CCN4)c1 1857764276 BJUYFBCBEXQQSL-SFHVURJKSA-N 319.364 2.881 50 1 DFGF COc1c2occc2c(NC(=O)CCl)c2ccc(=O)oc12 1573610 HSAHUCYEXUNKNT-UHFFFAOYSA-N 307.689 2.725 50 1 DFGF O=[N+]([O-])c1ccc(N(CCCl)CCCl)c([N+](=O)[O-])c1 26945022 JEJLDVZFDFEZJZ-UHFFFAOYSA-N 308.121 2.787 50 1 DFGF COC(=O)C[C@@H]1OO[C@@](CCC/C=C/C(C)=O)(OC)C[C@@H]1C 49710926 QBCJFJJPTMZNOE-ZLCOGHDGSA-N 314.378 2.564 50 1 DFGF O=C(Nc1cc2ccccc2oc1=O)OCCBr 96906395 DXRNLZNXYJJNAR-UHFFFAOYSA-N 312.119 2.736 50 1 DFGF C=C1C(=O)O[C@H]2C=C(C)CC[C@@H](OO)C(=C)C[C@H](OC(C)=O)[C@H]12 2356390435 BWIRHKRGIDAFBK-FXUDXRNXSA-N 322.357 2.561 50 1 DFGF CCOC(=O)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 100219779 OKJQSMJFDBJWER-MNDPQUGUSA-N 323.352 2.684 50 3 DFGF C[C@@H]1CC[C@H]2C[C@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 253633145 DUCAQABZHGWIFT-OCVGTWLNSA-N 310.415 2.986 50 1 DFGF COc1ccc(/C(C=O)=C/c2ccc(O)cc2OC)c(O)c1 208915605 QETFXXXVFOYOIP-KPKJPENVSA-N 300.310 2.855 50 1 DFGF C[C@@H]1O[C@]23C[C@@H](c4ccc(F)cc4)OC(=O)C2=C[C@@]1(C)OO3 96934018 RFCPLFWKNSJFOT-XSBRKMSKSA-N 306.289 2.576 50 1 DFGF CN(C)CCSSCCNC(=O)c1cccc2cc[nH]c12 618008163 BDYQBUYLIFQYPS-UHFFFAOYSA-N 323.487 2.841 50 1 DFGF Cc1cc2c(c(=O)o1)[C@@H](c1ccc(C)s1)C(C#N)=C(N)O2 103169592 HWWLJKDYASWXLO-GFCCVEGCSA-N 300.339 2.536 50 1 DFGF O=C(N/N=C/c1ccc([N+](=O)[O-])o1)OC/C=C/c1ccccc1 28979905 LXYCHUUZFQRGEG-UYHGDYIZSA-N 315.285 2.961 50 1 DFGF COC(=O)C[C@H]1OO[C@](CCC/C=C/C(C)=O)(OC)C[C@H]1C 216636241 QBCJFJJPTMZNOE-JHOPOCKDSA-N 314.378 2.564 50 1 DFGF COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Br)[C@@H](C2)C3=O 587412814 CMCIUPIBSJJOCL-IMIVBSTGSA-N 311.175 2.985 50 1 DFGF C/C(=N\NC(=O)Nc1nnc(S)s1)c1ccc(C)cc1 28863647 XYKSMBYSKAGJKH-RIYZIHGNSA-N 307.404 2.681 50 1 DFGF COC(=O)[C@]12C=CC(=O)C(O)=C1CC=C(C)[C@@H]2C/C=C(\C)C=O 103237209 RAUJCVKRKJTBPY-MFIUGZNGSA-N 316.353 2.598 50 1 DFGF COC(=O)c1cc2nc(/C(C#N)=C\c3ccccc3)[nH]c2cn1 587187535 IOGBBJVPTXHCLJ-GHXNOFRVSA-N 304.309 2.809 50 1 DFGF O=c1cc(-c2nc(CCl)co2)cc2ccc(O)c(O)c2c1O 1857559908 JOTRPLMFWOPHAA-UHFFFAOYSA-N 319.700 2.711 50 1 DFGF COC(=O)C[C@@H]1OO[C@](CCCC=CC(C)=O)(OC)C[C@H]1C 2356482646 QBCJFJJPTMZNOE-INWMFGNUSA-N 314.378 2.564 50 1 DFGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OCC#N)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101481472 BNUFTQGDQBRKRU-FVVNKADVSA-N 323.389 2.735 50 1 DFGF C/C=C1\CN2CC[C@@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1cc(O)ccc14 238780724 TXQARMFHKWTSKZ-DOQQSZNQSA-N 308.381 2.563 50 1 DFGF C[C@H]1CC[C@H]2C[C@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 253633147 DUCAQABZHGWIFT-WMHQRMGPSA-N 310.415 2.986 50 1 DFGF Cc1ccc(S(=O)(=O)NCCCCCC(=O)CCl)cc1 26674494 APAHKELLCHULLY-UHFFFAOYSA-N 317.838 2.642 50 1 DFGF C=CCN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]32[C@@H]1O4 195234952 QQZLTIARXCHPNN-AUSYMXBASA-N 321.417 2.866 50 1 DFGF CCOC(=O)/C=C1\NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C 195169953 CLUUVKBUWMZNJD-QOSJXDEASA-N 313.470 2.590 50 1 DFGF C[C@@H]1CC[C@H]2[C@H]3CCCO[C@H]3O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100863184 INRSCOPNMDDWMR-IEYGGJDGSA-N 310.390 2.985 50 1 DFGF CCOC1=C/C(=C2\C(C#N)=C(N)NC3=C2CCC[C@@H]3C)C=CC1=O 104008830 TWICHGJKEMKGJO-TUCQUAOGSA-N 323.396 2.713 50 3 DFGF OB(O)c1cccc(/N=N/c2cc(Cl)c(O)c(Cl)c2)c1 170057366 MNSGFOUVUAWYQC-WUKNDPDISA-N 310.933 2.794 50 1 DFGF CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 34151389 JXZIXFRUSHDGMU-QGZVFWFLSA-N 307.353 2.676 50 1 DFGF CC=C(COC(C)=O)C(=O)O[C@@H]1C(C)=CC=C(C=O)C1(C)C 2356440123 OKPRNLNBOBRCMN-OAHLLOKOSA-N 306.358 2.519 50 1 DFGF OB(O)c1cc2cc(CSc3ccccc3)ccc2s1 170095936 NKBQQHAXUYEGJK-UHFFFAOYSA-N 300.213 2.873 50 1 DFGF N[C@H](CCl)c1nc2c(Br)cnc(Cl)c2[nH]1 587012481 YCPMXKVEJHLIFH-SCSAIBSYSA-N 309.982 2.612 50 1 DFGF O=C1OC(=O)[C@H]2[C@@H]3O[C@@H](C(c4ccccc4)=C3c3ccccc3)[C@@H]12 58669628 FALSGXOQZDXLHB-USTZCAOPSA-N 318.328 2.694 50 1 DFGF C=C1C[C@H](OC(C)=O)[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC[C@@H]1OO 2356390437 BWIRHKRGIDAFBK-XUWVNRHRSA-N 322.357 2.561 50 1 DFGF N#CC(C#N)=Cc1[nH]ccc1CN1CCN(c2ccccc2)CC1 36216464 JXPFVJLJUKGXQP-UHFFFAOYSA-N 317.396 2.767 50 1 DFGF C=C1CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 100834526 AHJRFLWRENLSDT-KBMXLJTQSA-N 308.399 2.906 50 1 DFGF CCNC(=O)/C(C#N)=C/c1c(C)n(CCN(C)C)c2ccccc12 40973524 UAPXWYYUKCCIOW-NTCAYCPXSA-N 324.428 2.554 50 1 DFGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc(C#N)cc1 95809810 RXGBBVJPNDKGAG-CPNJWEJPSA-N 315.373 2.522 50 1 DFGF [C-]#[N+][C@@H]1C(C)=NC2=C(C(=O)OC2)[C@H]1c1ccc2n[nH]c(C)c2c1 169703226 ZPJBJFQOAIBECC-GDBMZVCRSA-N 306.325 2.528 50 1 DFGF CCOC(=O)c1cc(-c2ccc(C)cc2)[nH]c1NNC(C)=O 40899857 NPCKHFXTACZPLT-UHFFFAOYSA-N 301.346 2.630 50 1 DFGF CSc1ccc(/C=N\NC(=O)c2cc(O)cc(O)c2)cc1 33296326 MIPUOSSEGDRLCV-SXGWCWSVSA-N 302.355 2.584 50 1 DFGF COc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)ccc1C 40953973 RSUAYLSAWVCNLS-OVCLIPMQSA-N 319.342 2.737 50 1 DFGF COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1 13586193 DSEIZYGCJWXGNO-GOSISDBHSA-N 321.380 2.979 50 1 DFGF C/C=C1/C[N+]2([O-])CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 14614972 MQLAHNRKHQNTNL-YQSADIFOSA-N 308.381 2.870 50 1 DFGF NNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)[nH]n1 64593867 SZCKQMXJIIGFFX-UHFFFAOYSA-N 305.552 2.640 50 1 DFGF C[C@]1(CC(=O)NCc2ccncc2)CC2(CCCCC2)OO1 49710494 IKKXEAGTIWLWTR-INIZCTEOSA-N 304.390 2.901 50 1 DFGF Cc1c(Cl)sc2ncnc(NNC(=O)c3ccccn3)c12 1772572983 JPHRIZXXLQBRPI-UHFFFAOYSA-N 319.777 2.805 50 1 DFGF O=P(c1ccccc1)(c1ccccc1)c1cnc2ccccn12 38142191 BXNFOTFGLVAKNP-UHFFFAOYSA-N 318.316 2.974 50 3 DFGF Cc1cncc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1 13586207 UUKJEMKPYMGHDC-QGZVFWFLSA-N 306.369 2.674 50 1 DFGF CCS(=O)(=O)c1ccc2nc([C@@H](Cl)CCl)[nH]c2c1 587008937 SHVYMQKCXVYSHS-QMMMGPOBSA-N 307.202 2.875 50 1 DFGF COC(C)(C)[C@H](Br)c1nc2nc(Cl)c[nH]c-2n1 586971629 WENLGVDWLYKJIE-ZCFIWIBFSA-N 319.590 2.819 50 1 DFGF Cc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)c(O)c1 98082601 RBYBFMYIRADPOP-CAOOACKPSA-N 304.733 2.824 50 1 DFGF CC(=O)OCC=C(C)C(=O)O[C@@H]1C=C(C=O)C(C)(C)C=C1C 2356551892 WBQKLOHMZZWZHA-OAHLLOKOSA-N 306.358 2.519 50 1 DFGF O=C(N/N=C/c1ccc(Cl)cc1)Nc1nnc(S)s1 28863627 BSHHCSKFMMIYNE-LFYBBSHMSA-N 313.795 2.636 50 1 DFGF CC(C)(NC(=O)CCl)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587009922 XLJYCBBRGIPUAY-UHFFFAOYSA-N 323.677 2.709 50 1 DFGF COC(=O)[C@@H]1[C@](C)(O)C[C@@H]2O[C@]23C(C)(C)[C@H](Cl)CC[C@]13C 2356503306 CNNDPTJJQLGZBJ-PLFIJTDMSA-N 316.825 2.502 50 1 DFGF COC(C)(C)[C@@H](Br)c1nc2nc(Cl)c[nH]c-2n1 586971628 WENLGVDWLYKJIE-LURJTMIESA-N 319.590 2.819 50 1 DFGF CC1=Nc2ccccc2/C1=C/NNC(=O)c1cccc([N+](=O)[O-])c1 104034183 OBFPTCZDWSUUTH-XNTDXEJSSA-N 322.324 2.976 50 3 DFGF NCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 49803291 KIHHMISROZSMGV-UHFFFAOYSA-N 307.377 2.672 50 1 DFGF CCOC(=O)[C@](Cc1ccccc1)(OOC(C)(C)C)C(C)=O 95554153 OHVMKQPYAJHRPM-QGZVFWFLSA-N 308.374 2.867 50 1 DFGF CC[C@H](Cl)C(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1 27894134 JAGRYBVNZNOUSM-SKDRFNHKSA-N 307.781 2.503 50 1 DFGF CCc1ccc2c(c1)[C@]1(C(C#N)=CO2)c2nn(C)cc2CCN1C 963956391 XVMKHUVSQCRGEV-LJQANCHMSA-N 320.396 2.514 50 1 DFGF CN(NC(=O)C(=O)c1cn(C)c2ccccc12)c1ccccc1 27299048 WUOZCQQCPYAIOL-UHFFFAOYSA-N 307.353 2.529 50 1 DFGF O=C(N/N=C/c1cccs1)c1ccncc1Br 653710193 JMCIERCURZFTPU-MKMNVTDBSA-N 310.176 2.670 50 1 DFGF Cc1cnc(Cl)c2[nH]c(C(C)(C)NC(=O)CCl)nc12 587009863 WIAXHQCLFJXGSY-UHFFFAOYSA-N 301.177 2.510 50 1 DFGF Cc1occc1C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1 1857593148 ZGTDBOVQZOYNLK-ONNFQVAWSA-N 314.253 2.697 50 1 DFGF CC(=O)OC/C(C)=C\C(=O)O[C@@H]1C=C(C=O)C(C)(C)C=C1C 238770492 RYGKALGARMELFA-UJNBGNEJSA-N 306.358 2.519 50 1 DFGF CCn1nc(C)c(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1C 373010 SRBIYQBIZXBGSS-VCHYOVAHSA-N 318.808 2.866 50 3 DFGF COC(C)(C)[C@H](Br)c1nc2ccnc(O)c2[nH]1 586971229 OXJLZFKFTOBXFT-MRVPVSSYSA-N 300.156 2.525 50 1 DFGF FC(F)(F)c1nc(Cl)[nH]c2nc(CBr)nc1-2 586972139 HUJJIVHSDPYNHJ-UHFFFAOYSA-N 315.480 2.872 50 1 DFGF Cc1ccc(/C=C(/C#N)c2nc3ccc(C(=O)NN)cc3[nH]2)cc1 587187409 GWKOXOXYEKSGDL-ZSOIEALJSA-N 317.352 2.539 50 1 DFGF O=C(NNc1ncnc2sc3c(c12)CCCC3)c1ccco1 1772606163 PNCIVTVYBIUARU-UHFFFAOYSA-N 314.370 2.920 50 1 DFGF CCCCCCCC(=O)N/N=C(/C)c1c(O)cc(C)oc1=O 102220329 YTRJZQHAFGUMFA-ATVHPVEESA-N 308.378 2.855 50 1 DFGF NNC(=O)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 586906349 BUXYTXPGPPEZFC-UHFFFAOYSA-N 320.352 2.698 50 1 DFGF O=C(N/N=C/c1cccs1)c1ccc2c(c1)OCCCO2 1772574940 GASIEGDOWLUAPI-MHWRWJLKSA-N 302.355 2.673 50 1 DFGF C=C1C(=O)OC[C@@H]1[C@@H](C=C(C)CCC=C(C)C=O)OC(C)=O 2356648183 QTCMTKDJKLLGFD-JKSUJKDBSA-N 306.358 2.519 50 1 DFGF CN1C(=O)CN(CCCCCCl)c2ccc([N+](=O)[O-])cc21 28344568 XDSLGUMWPXCBQO-UHFFFAOYSA-N 311.769 2.787 50 1 DFGF COc1ccc(C/C(C#N)=C(\C#N)CC2(O)CCC(=O)CC2)cc1 238784849 FYQIYXHTDWFBNG-FOCLMDBBSA-N 324.380 2.846 50 1 DFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCN)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103104683 PTINENKTSCQTLF-VBGZEHGNSA-N 311.422 2.586 50 1 DFGF CC=C(C=O)[C@H]1C[C@H](O)n2c3c(c4ccccc42)CCN[C@@H]3C1 2356670679 YQIYGKCKHVXNPT-QBIMZIAESA-N 310.397 2.874 50 1 DFGF COc1cc2c3c(cc(O)c2cc1C)C(C)(C)C(=O)OC3=O 96914492 HTIPWCMGJSDMSU-UHFFFAOYSA-N 300.310 2.837 50 1 DFGF Cc1ccc(C)c(C(=O)C[C@@H]2O[C@H](O)[C@H](Cl)[C@H]2Cl)c1 254077114 KVGRFPSXOUEZGT-FQUUOJAGSA-N 303.185 2.808 50 1 DFGF Oc1c(Br)ccc2nc(CBr)[nH]c12 586970541 CEZWONPFUFVFDG-UHFFFAOYSA-N 305.957 2.926 50 1 DFGF O=C1OC(=O)[C@H]2[C@H]1[C@@H]1O[C@H]2C(c2ccccc2)=C1c1ccccc1 44018617 FALSGXOQZDXLHB-XLAORIBOSA-N 318.328 2.694 50 1 DFGF Cc1ccc(N/C=C(\C#N)C(=O)NC(=O)Cc2ccccc2)cc1 6715244 VQHYDVSDMJPHIT-DTQAZKPQSA-N 319.364 2.700 50 1 DFGF O=C(NN=C1CCCCCC1)c1snnc1C(F)(F)F 103183031 MGAVOTAJTLVXKS-UHFFFAOYSA-N 306.313 2.997 50 1 DFGF CC(C)(CCl)C(=O)Nc1ccc(C2=NNC(=O)CC2)cc1 27889093 VJKHVYQWAWJGTK-UHFFFAOYSA-N 307.781 2.504 50 1 DFGF COc1cc2c3c(c1)O[C@](CCl)(c1cnoc1C)[C@@H](C2)C3=O 587418971 CGYYHODXQULFOG-ZBEGNZNMSA-N 319.744 2.873 50 1 DFGF Cc1cncc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1 13586208 UUKJEMKPYMGHDC-KRWDZBQOSA-N 306.369 2.674 50 1 DFGF CC1=CC[C@@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 38148219 YOKWNCJKSSIUBC-BMFZPTHFSA-N 308.399 2.906 50 1 DFGF Cc1ccccc1N1C(=O)[C@H](Cl)[C@]12C(=O)Nc1ccccc12 103167055 NWSSYYHNVQTMCM-WMLDXEAASA-N 312.756 2.797 50 1 DFGF O=C(CCl)NC(=O)NC1c2ccccc2-c2ccccc21 28648647 QYPWDNVMCUCBJU-UHFFFAOYSA-N 300.745 2.821 50 1 DFGF COc1cccc([C@H](C)Cc2nc3ccc(C(=O)NN)cc3[nH]2)c1 587931112 MCJFOVCJKPLRIV-LLVKDONJSA-N 324.384 2.521 50 1 DFGF NNC(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 587161435 NYTKIMMQQHJIBJ-CHWSQXEVSA-N 310.332 2.577 50 1 DFGF CCc1cc[n+](-c2nc3ccccc3nc2C(=C=N)C#N)cc1 6343494 HLWICGWYNKSGDO-UHFFFAOYSA-N 300.345 2.624 50 3 DFGF CSC[C@H](C)O[P@@](N)(=O)N(CCCl)CCCl 27214161 MZEXQCBVODQMQT-VXJOIVPMSA-N 309.199 2.601 50 1 DFGF CC(C)(F)[C@@H](Br)c1nc2cc(N)c(N)cc2[nH]1 587086561 DBRADFYWDUIIDO-VIFPVBQESA-N 301.163 2.911 50 1 DFGF COc1cc2c3c(c1)O[C@@](CCl)(c1cnoc1C)[C@@H](C2)C3=O 587418968 CGYYHODXQULFOG-MEDUHNTESA-N 319.744 2.873 50 1 DFGF CC(=O)C1=C(O)/C(=C(\C)Nc2ccccc2Cl)C(=O)OC1=O 141999253 LHJDWWMTVUSQED-XFFZJAGNSA-N 321.716 2.510 50 1 DFGF CC(=O)c1ccc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2c1 586907790 XGDJIDFKBIJISO-UHFFFAOYSA-N 306.277 2.743 50 1 DFGF CCCc1n[nH]c2c1[C@@H](c1ccc(F)c(F)c1)C(C#N)=C(N)O2 5130344 GUIGDDJDUAGRKQ-ZDUSSCGKSA-N 316.311 2.859 50 1 DFGF O=C(N/N=C/C=C(\O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 101745808 LVMLBGLJSXLPTC-JBOZTJCHSA-N 311.297 2.910 50 1 DFGF CCC/C(NCc1ccco1)=C(\C#N)C(=O)OCCOCC 35329407 WVXHVEJHHSPGBJ-PFONDFGASA-N 306.362 2.527 50 1 DFGF CC(C)(NC(=O)CCl)c1nc2cc(Cl)c(F)cc2[nH]1 587009388 CQIANVZINXPWKY-UHFFFAOYSA-N 304.152 2.946 50 1 DFGF C/C=C(/C=O)c1cc2n(c(=O)c1O)CCc1c-2[nH]c2ccccc12 1857550942 SSXJDMGJJARZQV-FUQNDXKWSA-N 320.348 2.861 50 1 DFGF C=C(C)[C@@H](Cc1c(OC)c2cccc(OC)c2n(C)c1=O)OO 2356456446 DTDDJPVYHAKRRW-CQSZACIVSA-N 319.357 2.533 50 1 DFGF O=C(NCCCCN=C=S)Nc1ccc2nccnc2c1 1857561695 IMHJLOZIQYQLOC-UHFFFAOYSA-N 301.375 2.634 50 1 DFGF O=C1OC(=O)[C@H]2[C@H]3O[C@@H](C(c4ccccc4)=C3c3ccccc3)[C@H]12 253695368 FALSGXOQZDXLHB-BDXSIMOUSA-N 318.328 2.694 50 1 DFGF CCOC(=O)C(=O)[C@H](Cl)c1cc2c3c(cccc3n1)CC2 587209206 JXWKTQGNIXVCFF-CQSZACIVSA-N 303.745 2.746 50 1 DFGF COC(=O)c1ccnc2[nH]c(/C(C#N)=C/c3ccccc3)nc12 587188897 WQGZOBKNFJAYFX-FMIVXFBMSA-N 304.309 2.809 50 1 DFGF C[C@]1(NC(=O)CCl)[C@H]2CC[C@@]3(C)N=C(CCl)[C@H]1C[C@H]3C2 1857656289 KOGYTUVFAHOSPA-ILYYPIBPSA-N 317.260 2.988 50 1 DFGF O=C(N/N=C\c1cccc(Cl)c1)[C@H]1COc2ccccc2O1 33293424 YDVQZULIPVZRRI-FNMPFJKNSA-N 316.744 2.630 50 1 DFGF CCCCC(=O)Cc1cccc(NC(=O)NC(=O)CCl)c1 53298164 XOKDMLXKOZUUBP-UHFFFAOYSA-N 310.781 2.875 50 1 DFGF C=C1C(=O)OC[C@H]1[C@@H](C=C(C)CCC=C(C)C=O)OC(C)=O 2356648182 QTCMTKDJKLLGFD-HZPDHXFCSA-N 306.358 2.519 50 1 DFGF CC(C)(C)c1ccc2nc(C(C)(C)NC(=O)CCl)[nH]c2n1 587009496 ILRNUUKGXJAQKW-UHFFFAOYSA-N 308.813 2.846 50 1 DFGF CSC[C@H](C)O[P@](N)(=O)N(CCCl)CCCl 27214167 MZEXQCBVODQMQT-AYVTZFPOSA-N 309.199 2.601 50 1 DFGF CN(C)CCSSCCCNC(=O)c1ccc(F)cc1 618012447 GGGXXZWBHHBNNO-UHFFFAOYSA-N 316.467 2.889 50 1 DFGF CN(CCBr)[P@](=O)(O)OCC1CCCC1 27652363 XTVARBJREZMMSM-UHFFFAOYSA-N 300.133 2.620 50 1 DFGF Cc1ccc(/C=C/c2nc3ccc(C(=O)NN)cc3[nH]2)cc1F 587146695 SMYIHQBPKGMJHO-QPJJXVBHSA-N 310.332 2.784 50 1 DFGF N#CC(C#N)=C[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772639390 PMRKEYOSDJGKFC-AULYBMBSSA-N 317.356 2.853 50 1 DFGF O=C(CCl)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2 199348751 CJTGOHYFDWEQRU-SDQBBNPISA-N 301.733 2.685 50 1 DFGF CCCc1c(O)ccc2c1O[C@@H](/C(C#N)=C\N(C)C)CC2=O 587471114 ZNQURPBUQDWKFG-BLIJAFNYSA-N 300.358 2.648 50 1 DFGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CC(=O)N[N+](C)(C)C)O2 3918567 RGPBEKGCIOOKSP-SFHVURJKSA-O 321.441 2.529 50 1 DFGF O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccc(F)c(F)c1 40413765 HNZARFKOWLSTCC-GIDUJCDVSA-N 311.269 2.698 50 1 DFGF O=C(NNc1ncnc2sc3ccccc3c12)c1ccccn1 1772629787 KKRFNXAOCAXHDG-UHFFFAOYSA-N 321.365 2.996 50 1 DFGF COC(=O)/C(C#N)=C1\SCC(=O)N1c1ccc2ccccc2c1 1857655264 XFWQHSTYRJJWHX-PEZBUJJGSA-N 324.361 2.828 50 1 DFGF CCOC(=O)c1cc(-c2ccc(Cl)cc2)[nH]c1NNC(C)=O 40975042 KVWPPMXROZGWHG-UHFFFAOYSA-N 321.764 2.975 50 1 DFGF CO[C@H]1C[C@H]2C(=C[C@@H]1Cl)[C@H]1CN2Cc2cc3c(cc21)OCO3 139048012 XUWWIIBGXFQMPN-AJNGGQMLSA-N 319.788 2.649 50 1 DFGF O=NN(CCCl)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 5371305 OHWQJBCIAXWENR-CQSZACIVSA-N 324.812 2.583 50 1 DFGF CC[C@H](C[C@@]1(C)C[C@@H](CC)[C@@H](CC(=O)OC)OO1)C(=O)OC 43543887 ZKVNIUHEFZTQHO-BRXULGCHSA-N 316.394 2.644 50 1 DFGF O=C1OC(=O)c2cc(-c3nc4cc(F)cc(F)c4[nH]3)ccc21 586906074 IMHZVJJHPDNYLI-UHFFFAOYSA-N 300.220 2.819 50 1 DFGF O=C1OC(=O)[C@H]2[C@@H]3O[C@H](C(c4ccccc4)=C3c3ccccc3)[C@@H]12 101392742 FALSGXOQZDXLHB-XMTFNYHQSA-N 318.328 2.694 50 1 DFGF COc1ccc(Cl)cc1C#Cc1cn(C)nc1C(=O)Cl 587907633 PWLJIQGKKOFVOU-UHFFFAOYSA-N 309.152 2.861 50 1 DFGF NNC(=O)c1ccc2nc(-c3coc4cc(F)ccc34)[nH]c2c1 587174834 MPCFLDBUUTXGOI-UHFFFAOYSA-N 310.288 2.719 50 1 DFGF COC(C)(C)[C@H](Br)c1nc2ccc(CO)cc2[nH]1 586971693 WQLPOSXTLXZWRI-LLVKDONJSA-N 313.195 2.916 50 1 DFGF ClCc1ccc(CN[C@]23O[C@H]4[C@@H]5[C@H]6C[C@H]([C@@H]52)[C@@H]2[C@@H]6[C@@H]4[C@@H]23)cc1 1857542750 GUMLISHTDGQOBT-HWKKRMKWSA-N 313.828 2.998 50 1 DFGF CCCNNC(=O)CCCCCCC(=O)Nc1ccccc1 1857551867 QDBUPYIRFBUJSV-UHFFFAOYSA-N 305.422 2.997 50 1 DFGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)OCCCc1cccnc1 13821507 YXYJIJRAAWHSIH-OQLLNIDSSA-N 324.336 2.576 50 1 DFGF Cc1ccc(N2C(=O)[C@H](Cl)[C@]23C(=O)Nc2ccccc23)cc1 103222529 NFMFQJGWSXSIOP-WMLDXEAASA-N 312.756 2.797 50 1 DFGF NNC(=O)c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586884409 PMDCMQBJSABYBT-CNNMYCQVSA-N 310.401 2.634 50 1 DFGF Oc1ccc2c(c1O)CC[C@@H](N(CCCl)CCCl)C2 29558356 SEWQIFVBDMOFRY-LLVKDONJSA-N 304.217 2.735 50 1 DFGF COc1cc2c3c(c1)O[C@](CCl)(c1ccccn1)[C@@H](C2)C3=O 587422687 RFMZOFJOYBQBSD-SJCJKPOMSA-N 315.756 2.972 50 1 DFGF CCOc1ccc([C@@]2(CCl)c3nn(C)cc3CCN2C)cc1 963954793 LLGQGKQUYYVOTI-KRWDZBQOSA-N 319.836 2.789 50 1 DFGF Cc1cc([C@]2(CCl)NCCc3nc4ccccn4c32)c(C)[nH]1 962983707 MEYVKPJLKXAVDP-KRWDZBQOSA-N 314.820 2.907 50 1 DFGF CO[C@]12CCC[C@@H](C1)[C@@](C)(CI)OO2 101354268 CHBBLXJUKACYNX-AEJSXWLSSA-N 312.147 2.675 50 1 DFGF CC=C1CN2CC[C@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1cc(O)ccc14 2356466106 TXQARMFHKWTSKZ-BOFPYLFWSA-N 308.381 2.563 50 1 DFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCO)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106243 DMOJNLHMYHJZHQ-VBGZEHGNSA-N 312.406 2.619 50 1 DFGF COC(=O)[C@H](C)[C@H]1CC[C@](CCCC=CC(C)=O)(OC)OO1 2356403752 UACRRWTTYXVDEF-IIAWOOMASA-N 314.378 2.564 50 1 DFGF COc1cc(C=C(C=O)c2ccc(O)c(OC)c2)ccc1O 2356573968 IDJCIWTUMGTOMT-UHFFFAOYSA-N 300.310 2.855 50 1 DFGF CC=C1CN2CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1ccc(OC)cc14 2356526699 HGYZMLFMOQSVFN-QMIHWGKISA-N 322.408 2.866 50 1 DFGF COc1ccc(/C=N/N(C)C(=O)c2ccc(O)cc2)cc1OC 95554147 KKTNGRFKSAPNSA-WOJGMQOQSA-N 314.341 2.516 50 1 DFGF C[C@@H]1COc2ccccc2N1C1=NC(=O)[C@@](C)(CCl)S1 103184037 QNJDNTPHPODBDW-YMTOWFKASA-N 310.806 2.901 50 1 DFGF CN(C)CCOc1ccc2nc(/C=C/CBr)[nH]c2c1 586973263 HCMNGCVRPPKYTF-ONEGZZNKSA-N 324.222 2.911 50 1 DFGF C/C(=N/NC(=O)Cc1c(O)n[nH]c1C)c1ccc2ccccc2c1 13115010 FRTQJQBGMVOXDM-ODLFYWEKSA-N 322.368 2.660 50 1 DFGF CC(=O)n1nc(SSc2ccccc2[N+](=O)[O-])nc1C 1857637872 GHRKTELXOHHJAB-UHFFFAOYSA-N 310.360 2.954 50 1 DFGF Oc1ccc(-c2nc3nc(O)nc(O)c3cc2CCCl)cc1 587369258 XHTKIOKYKIDERN-UHFFFAOYSA-N 317.732 2.590 50 1 DFGF C[C@H](Cl)CC(=O)Nc1ccc(C2=NNC(=O)C[C@@H]2C)cc1 27894098 RRMXYMXQNJKTGN-UWVGGRQHSA-N 307.781 2.503 50 1 DFGF COc1ccc(-c2nc3ccc(/C(C)=N/NC(N)=O)cc3[nH]2)cc1 84728581 QMMXTBPYTBRSBA-UFFVCSGVSA-N 323.356 2.631 50 1 DFGF CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)CC[C@]3(C=O)CC[C@@H]12 71316705 APPWSRVILXGMLO-ZOCIIQOWSA-N 311.381 2.936 50 1 DFGF O=C(Cl)c1ccc([C@H]2NCCc3nc4ccccn4c32)cc1 962988395 YHBUEMILGRCJMW-OAHLLOKOSA-N 311.772 2.948 50 1 DFGF C[C@@H](C(=O)O)[C@H]1CC[C@@](C)(C/C=C/[C@]2(C)CCC(=O)O2)OO1 64373432 HAZACBAWFGKIBT-IICLXOEUSA-N 312.362 2.618 50 1 DFGF C/C=C1/CN2CC[C@]34C(=C(C=O)[C@@H]1C[C@@H]23)Nc1c(OC)cccc14 14614982 XOGYFPSILGIGCW-HKVSXCBQSA-N 322.408 2.866 50 1 DFGF COc1ccc(NNC(=O)C(=O)c2c[nH]c3ccccc23)cc1 13781209 LYXJGSDRJBZNPX-UHFFFAOYSA-N 309.325 2.503 50 1 DFGF C[C@]1(O)OC(=O)C=C1[C@@H]1CC[C@@](C)(Cl)[C@@H](Br)C1 2356566957 ARPGIRZFNMNODV-KOMHVXODSA-N 323.614 2.739 50 1 DFGF CC(C)(NC(=O)CCl)c1nc2cc(C#N)cc(Cl)c2[nH]1 587009103 VFEZYPRWNZYMJR-UHFFFAOYSA-N 311.172 2.678 50 1 DFGF CC(=O)OC/C=C(/C)C(=O)O[C@H]1C=C(C=O)C(C)(C)C=C1C 238765263 WBQKLOHMZZWZHA-FTXNUJCXSA-N 306.358 2.519 50 1 DFGF COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1CCl 587369071 SVYMPIQKZYWZDT-UHFFFAOYSA-N 317.732 2.850 50 1 DFGF C=CC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]24OO3 195261945 FZTWQIWCFNJTQK-AHHGSGGISA-N 308.374 2.951 50 1 DFGF CN1C(=O)CN=C(OCC(Cl)Cl)c2cc(Cl)ccc21 169344219 RGIKXSUFQJKFLP-UHFFFAOYSA-N 321.591 2.883 50 1 DFGF Cc1ccccc1N1C(=O)[C@@H](Cl)[C@]12C(=O)Nc1ccccc12 103167057 NWSSYYHNVQTMCM-RHSMWYFYSA-N 312.756 2.797 50 1 DFGF COc1ccc([C@H]2O[C@]34CCCC(=O)C3=C[C@@]2(C)OO4)cc1 96933997 WMDWVODYKOICFI-ZACQAIPSSA-N 302.326 2.863 50 1 DFGF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(CCCl)c1)O2 587376058 PMDKNPBZMDIIIJ-CQSZACIVSA-N 305.765 2.719 50 1 DFGF CN(C)CCSSCCNC(=O)c1ccc(F)cc1F 618007750 HFBNWZIRALITEP-UHFFFAOYSA-N 320.430 2.638 50 1 DFGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](Cl)C=O)N1 587687504 HAOGZHKTGXIWBM-HUABCPSTSA-N 320.589 2.970 50 1 DFGF CC=C1CCN2CC[C@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1c(O)cccc14 2356492702 APTBAXHXUSTNJD-WSXQUGQNSA-N 322.408 2.953 50 1 DFGF O=C(CCCl)Nc1n[nH]c2ncc(-c3ccc(O)cc3)cc12 1857754027 VCLXILPCPHUYCM-UHFFFAOYSA-N 316.748 2.898 50 1 DFGF CC(=O)O[C@H]1CCn2nnc(CO[Si](C)(C)C(C)(C)C)c21 195425646 GGGPFXWZPAAYBK-LBPRGKRZSA-N 311.458 2.808 50 1 DFGF O=C(CCCCCC(=O)N/N=C/CCC1CCCCC1)NO 95808277 KEIZGIFYLULUSY-GHRIWEEISA-N 311.426 2.905 50 1 DFGF NNC(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c1 587084793 TUFUASXOWZKJSW-UHFFFAOYSA-N 322.155 2.535 50 1 DFGF COc1ccc(O)c(/C=N/NC(=O)c2cc3ccccc3[nH]2)c1 1857540612 YBIDUZPOMFVTPF-VCHYOVAHSA-N 309.325 2.646 50 1 DFGF O=C1C=CC(=CNNC(=O)c2cccc(C(F)(F)F)c2)C=C1 13126013 KNCBIEWKKDSVBW-UHFFFAOYSA-N 308.259 2.519 50 3 DFGF N#C/C(=C/c1ccc(O)c(O)c1)C(=O)OCCc1cccs1 34738136 KCGLTUBCAGZLHP-WQLSENKSSA-N 315.350 2.852 50 1 DFGF COc1cc2c3c(c1)O[C@](CCl)(c1cocn1)[C@@H](C2)C3=O 587421495 MONZNUNBAWUOOP-BONVTDFDSA-N 305.717 2.565 50 1 DFGF CC(=O)c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 28873400 BCESDFXBYDHXTC-OVCLIPMQSA-N 317.326 2.623 50 1 DFGF Oc1cc2c(cc1O)C[C@@H](N(CCCl)CCCl)CC2 29553268 JJDBHSVTWIQRLM-LBPRGKRZSA-N 304.217 2.735 50 1 DFGF CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](c3ccsc3)[C@@H]2C1 169689871 RVTMKQHKSZBPDO-CABCVRRESA-N 321.409 2.671 50 1 DFGF CC(C)(NC(=O)CCl)c1nc2c(Cl)cnc(Cl)c2[nH]1 587009772 RSFQJBZZOLUCAU-UHFFFAOYSA-N 321.595 2.855 50 1 DFGF CC(C)(NC(=O)CCl)c1nc2ccc3ncccc3c2[nH]1 587009362 BQAGUZJPFVVGGQ-UHFFFAOYSA-N 302.765 2.701 50 1 DFGF CC(C)Oc1ccc2nc(C(C)(C)NC(=O)CCl)[nH]c2c1 587009545 KPVHGJLHPIHEND-UHFFFAOYSA-N 309.797 2.940 50 1 DFGF C/C=C(/C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C=O 587874960 LJFUFGIRVLXPDM-FUQNDXKWSA-N 310.180 2.801 50 1 DFGF ClC[C@H](Cl)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587008854 QZFYOOLSBDBBOB-NSHDSACASA-N 314.216 2.914 50 1 DFGF O=C(NNc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F 3156787 CWKOYLVRJVKLFW-UHFFFAOYSA-N 304.165 2.963 50 1 DFGF biogenic C=C(c1ccc(OC)cc1)[C@H]1COC2(CCC(=O)CC2)OO1 44052621 LUVNWXBWOWDQIK-MRXNPFEDSA-N 304.342 2.895 50 1 DFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)no1)O2 587374199 VDAMALYMQDKJHT-OAHLLOKOSA-N 306.749 2.973 50 1 DFGF O=C(NCC1=CC=C(CO)SS1)Nc1ccccc1O 6567941 CLINJTSTYDVADT-UHFFFAOYSA-N 310.400 2.669 50 1 DFGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NC/C=C/c1ccccc1 103245094 JUAIVUXQZIZIFD-UYHGDYIZSA-N 320.348 2.834 50 1 DFGF CC=C1CN2CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1cc(O)ccc14 2356466107 TXQARMFHKWTSKZ-IRWQIABSSA-N 308.381 2.563 50 1 DFGF C[C@]1(O)OC(=O)C=C1[C@@H]1CC[C@](C)(Cl)[C@H](Br)C1 2356566958 ARPGIRZFNMNODV-KSHNYCKESA-N 323.614 2.739 50 1 DFGF O=C(NNc1nc2ccccc2n2cccc12)c1ccccn1 5940145 ATBPDWLCYWFKEF-UHFFFAOYSA-N 303.325 2.639 50 1 DFGF CCc1ccc(-c2nc3cc(C(=O)NN)ccc3[nH]2)cc1CC 586878774 JWJMISWGHYQIJZ-UHFFFAOYSA-N 308.385 2.958 50 1 DFGF Cc1cc(NNC(=O)[C@@H]2O[C@H]2c2ccncc2)nc2ccccc12 27988707 ZCVVFXLQSVOJBD-DLBZAZTESA-N 320.352 2.521 50 1 DFGF COc1ccc(/C=C(\C#N)n2nnc3ccccc32)cc1OC 34073075 ZNYJIIDZGHPGLO-UKTHLTGXSA-N 306.325 2.970 50 1 DFGF Cc1ccc(N2C(=O)[C@@H](Cl)[C@@]23C(=O)Nc2ccccc23)cc1 103222539 NFMFQJGWSXSIOP-PBHICJAKSA-N 312.756 2.797 50 1 DFGF Oc1nc(O)c2ccc(-c3ccc(CCCl)cc3)nc2n1 587369294 ZCPYAOYDEYWVRC-UHFFFAOYSA-N 301.733 2.884 50 1 DFGF Nc1ccccc1N(CCBr)CCBr 29412438 RTXKPBGSBBOIFD-UHFFFAOYSA-N 322.044 2.865 50 1 DFGF CCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]23[C@H]1O4 169359135 TZAQQVMCWXHOOC-ZFCIPKFXSA-N 309.406 2.844 50 1 DFGF Cc1ccc(C)c(C(=O)C[C@H]2O[C@H](O)[C@@H](Cl)[C@@H]2Cl)c1 105491347 KVGRFPSXOUEZGT-MQYQWHSLSA-N 303.185 2.808 50 1 DFGF CC(C)(NC(=O)CCl)c1nc2cc(F)c(F)c(F)c2[nH]1 587009451 GJCCPJQVDSSBPA-UHFFFAOYSA-N 305.687 2.570 50 1 DFGF O=C1COC(CCl)=C[C@@]12c1ccc(F)cc1C[C@H]1CCCN12 963109197 YYRNAEFODOODGL-CXAGYDPISA-N 321.779 2.764 50 1 DFGF O=C(N/N=C/c1cccc2ccccc12)c1cc(O)c(O)c(O)c1 5949080 ICYVXOHQMSMOKU-VXLYETTFSA-N 322.320 2.721 50 1 DFGF C[C@H]1OO[C@@H](COC(=O)CC23CC4CC(CC(C4)C2)C3)[C@H]2O[C@H]21 44280330 FJAKSVQHKKBFSM-IRECHUBHSA-N 322.401 2.622 50 1 DFGF COc1cc(C(=O)N/N=C/c2ccnc3ccccc23)ccc1O 13864058 DYNSCFQMBKMEKV-RGVLZGJSSA-N 321.336 2.713 50 1 DFGF C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H](OO)C(=C)C[C@H](OC(C)=O)[C@H]12 2356390436 BWIRHKRGIDAFBK-LVQVYYBASA-N 322.357 2.561 50 1 DFGF O=C(N/N=C\c1ccccc1Cl)c1n[nH]c2c1CCCC2 13115027 DWZWVADRKITVKP-MFOYZWKCSA-N 302.765 2.706 50 1 DFGF COC(=O)[C@H]1[C@](C)(O)C[C@@H]2O[C@@]23C(C)(C)[C@@H](Cl)CC[C@]13C 166049032 CNNDPTJJQLGZBJ-XZKWHVPCSA-N 316.825 2.502 50 1 DFGF C=C(C)[C@H](Cc1c(OC)c2cccc(OC)c2n(C)c1=O)OO 238786274 DTDDJPVYHAKRRW-AWEZNQCLSA-N 319.357 2.533 50 1 DFGF O=NN(CCCl)C(=O)NC1CCN(Cc2ccccc2)CC1 5440052 GVOFEKQVHKRRRQ-UHFFFAOYSA-N 324.812 2.583 50 1 DFGF C[C@]1(CC(=O)NCc2ccccn2)CC2(CCCCC2)OO1 49694414 QWQVLGPEHGKMST-INIZCTEOSA-N 304.390 2.901 50 1 DFGF O=C(N/N=C\c1c(F)cccc1Cl)c1cc(C2CC2)[nH]n1 2376004 WFWZOWHFCSUXSY-IDUWFGFVSA-N 306.728 2.844 50 1 DFGF O=C(Cc1ccccc1)N/N=C\c1ccc(Br)o1 13111973 IEKTVSQDBQUXRL-DHDCSXOGSA-N 307.147 2.735 50 3 DFGF N#CC(C#N)=Cc1ccc(CN2CCN(c3ccccc3)CC2)[nH]1 84462607 FMWVLGRDWGHGJV-UHFFFAOYSA-N 317.396 2.767 50 1 DFGF Cc1cccc(NCC(=O)NN/C=C2\C=Nc3ccccc32)c1 15962387 WHDLBXOFWXYYEY-SDNWHVSQSA-N 306.369 2.785 50 3 DFGF O=C(NNC(=O)c1cc2ccccc2[nH]1)OCc1ccccc1 36379013 JMRFEJRLQYXPKG-UHFFFAOYSA-N 309.325 2.739 50 3 DFGF O=C(CSc1ccccn1)NN/C=C1\C=Nc2ccccc21 13130615 DNVMQNPZAWDIMB-ZRDIBKRKSA-N 310.382 2.552 50 3 DFGF C/C(NNC(=O)c1ccccc1)=C(/N=O)C(=O)Nc1ccccc1 15884930 WENFSIAHFDXZFL-QINSGFPZSA-N 324.340 2.558 50 3 DFGF COc1ccc(Cl)cc1C#Cc1ccc(NNC(C)=O)nc1 587908441 VSRLJVQWDDYMBE-UHFFFAOYSA-N 315.760 2.606 50 1 DFGF CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(O)c1 13586172 DUKYMSVBECFNBN-QGZVFWFLSA-N 307.353 2.676 50 1 DFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC#N)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101481476 BNUFTQGDQBRKRU-RRIGHJONSA-N 323.389 2.735 50 1 DFGF C=C(C=O)[C@@H]1Cc2cc([C@H](C)OC(=CC)C(=O)O)ccc2O1 2356572094 OLDXYWSNUYDICY-ZBEGNZNMSA-N 302.326 2.811 50 1 DFGF C/C(=N/NC(=O)c1cccc(Br)c1)c1ccccn1 15997697 GZJPBATWGXWPLE-YVLHZVERSA-N 318.174 2.998 50 1 DFGF COC(=O)[C@H]1[C@]2(C)CC[C@H](Cl)C(C)(C)[C@]23O[C@H]3C[C@@]1(C)O 2356503305 CNNDPTJJQLGZBJ-FAKWDVEZSA-N 316.825 2.502 50 1 DFGF COc1cccc([C@@H](C)Cc2nc3ccc(C(=O)NN)cc3[nH]2)c1 587931130 MCJFOVCJKPLRIV-NSHDSACASA-N 324.384 2.521 50 1 DFGF CC[C@@H]1C(=O)[C@H](CC)[C@@]23C[C@H](C)CC[C@@]24OO[C@@](C)(O4)[C@H]1O3 299846717 ZVZXOCJZAIGMNG-WTBBAFPNSA-N 310.390 2.970 50 1 DFGF C=C1[C@@H](OC(C)=O)C[C@H]2[C@H](C=C(C)CC[C@H]1OO)OC(=O)[C@@H]2C 2356753180 CEBJBFICGZLFAO-VWOPQJGGSA-N 324.373 2.640 50 1 DFGF CCCc1c(O)ccc2c1O[C@@H](/C(C#N)=C/N(C)C)CC2=O 587471116 ZNQURPBUQDWKFG-SIFUEBAJSA-N 300.358 2.648 50 1 DFGF COc1cc2c3c(c1)O[C@@](CBr)(C1CC1)[C@@H](C2)C3=O 587412671 JRKOCEBLKWNSOL-NHYWBVRUSA-N 323.186 2.986 50 1 DFGF O=C1COC(CCl)=C[C@@]12c1ccc(F)cc1C[C@@H]1CCCN12 963109218 YYRNAEFODOODGL-SUMWQHHRSA-N 321.779 2.764 50 1 DFGF CC=C1CN2CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1cc(OC)ccc14 2356654822 LMVCHIVHFYHQKQ-QMIHWGKISA-N 322.408 2.866 50 1 DFGF O=C1c2ccccc2C(=O)c2ncc(CBr)cc21 28008778 YHKOEEJDKXKGEI-UHFFFAOYSA-N 302.127 2.752 50 1 DFGF CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(Cl)cc2)C(=O)OC1=O 141969694 UMMHNUDBVQDMAE-XFFZJAGNSA-N 321.716 2.510 50 1 DFGF CC(=O)OC[C@@H](C)CC(=O)O[C@@H]1C=C(C=O)C(C)(C)C=C1C 238780187 NLOIJAZSDLBQKU-XHDPSFHLSA-N 308.374 2.599 50 1 DFGF O=C(CBr)C(Br)=CBr 2356381818 ARCXGYKRXLSYCC-UHFFFAOYSA-N 306.779 2.582 50 1 DFGF CC(=O)OC/C(C)=C\C(=O)O[C@@H]1C=CC(C)(C)C(C)=C1C=O 238763743 PSQVEMACZNFARQ-MEODZPNASA-N 306.358 2.519 50 1 DFGF CC(C)(O)C=CC=C(C=O)[C@@H]1C=C(C=O)CC[C@@H]2O[C@]2(C)CC1 2356481170 GKXYKSRLDXJJIP-VDZJLULYSA-N 318.413 2.912 50 1 DFGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@]2(N1)[C@H]1CC[C@H](C1)[C@@H]2Cl 962925558 VUXDOWRUHBIUPZ-KXWMWUJRSA-N 309.768 2.657 50 1 DFGF N[C@@H](C(=O)N/N=C/c1ccc(O)c2ccccc12)c1ccccc1 95920829 WWYPXPWOVWOANL-AGKWGAAGSA-N 319.364 2.696 50 1 DFGF in-vitro O=C1C=C2C(C#CCCCCl)=C[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 653861912 ZRGACDFJKZOIHZ-KYJSFNMBSA-N 317.816 2.798 50 1 DFGF CCOC(=O)C(=O)[C@@H](Cl)c1cc2c3c(cccc3n1)CC2 587209205 JXWKTQGNIXVCFF-AWEZNQCLSA-N 303.745 2.746 50 1 DFGF COc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 34052964 XZVMSUCGEVBBHO-INIZCTEOSA-N 323.308 2.822 50 1 DFGF O=C(CCc1ccncc1)NNc1c(Cl)cncc1Cl 84654811 ARWCCWRLVPZKFV-UHFFFAOYSA-N 311.172 2.859 50 1 DFGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)OCCc1ccccc1 11129 VSHGPCHQEFUWCE-XNTDXEJSSA-N 309.321 2.791 50 1 DFGF NNC(=O)c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586891754 VJIRUCKUMNAEBI-IFXJQAMLSA-N 318.380 2.538 50 1 DFGF C[C@H]1CC2=CC(=O)C=CC2=C(NNC(=O)c2cccc(F)c2)C1 15686358 XSICLFXYCLEXOG-NSHDSACASA-N 312.344 2.809 50 3 DFGF CN1CCN(c2ccc3nc([C@@H](Cl)CCl)[nH]c3c2)CC1 587007382 CWNCUUXXJVEUBB-NSHDSACASA-N 313.232 2.833 50 1 DFGF CC=C1CN2CC[C@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1cc(OC)ccc14 2356654821 LMVCHIVHFYHQKQ-BOUXLOLZSA-N 322.408 2.866 50 1 DFGF CCCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)O[C@@H]1C 26567580 PKIQEUSPWBDVPK-GBUWSYLDSA-N 309.454 2.702 50 1 DFGF COC(=O)[C@]1(C)CC(C)(C)[C@@H]2C1=C(C=O)[C@H](C)C[C@@H]2OC(C)=O 15048258 DTOKLDYIEIAPKT-OIDDOSSZSA-N 322.401 2.679 50 1 DFGF biogenic CCc1ccc[n+](-c2nc3ccccc3nc2C(=C=N)C#N)c1 6343523 PVYALAQYBKHKSK-UHFFFAOYSA-N 300.345 2.624 50 3 DFGF O=C(NN/C=N\c1ccc(C(F)(F)F)cc1)c1ccncc1 73139741 FKXPXESZCXHWPY-UHFFFAOYSA-N 308.263 2.695 50 1 DFGF C[C@@H]1CC[C@H]2[C@H]3CCCO[C@H]3O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 43328116 INRSCOPNMDDWMR-KVHVZWHCSA-N 310.390 2.985 50 1 DFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(C(F)F)O2 587380768 ABGJOQSDJHCZMI-GFCCVEGCSA-N 320.133 2.941 50 1 DFGF Cc1c(C(=O)N/N=C\c2ccccc2O)oc2cccc(O)c12 1911570815 PYTQPKQXTXOCIO-NVMNQCDNSA-N 310.309 2.916 50 1 DFGF C=CC[C@H]1C(=O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 101475649 FZTWQIWCFNJTQK-QPLXWKHQSA-N 308.374 2.951 50 1 DFGF Cc1c(C(=O)N/N=C\c2cccc(O)c2)oc2cccc(O)c12 1911570823 QJPFWDOTQRWXRO-NVMNQCDNSA-N 310.309 2.916 50 1 DFGF O=C1OC(=O)c2cc(-c3nc4cc(F)c(F)cc4[nH]3)ccc21 586907768 WRQNHNFYXMLVPN-UHFFFAOYSA-N 300.220 2.819 50 1 DFGF C/C=C1\CN2CC[C@@]34C(=C(C=O)[C@@H]1C[C@@H]23)Nc1cc(O)ccc14 238767660 TXQARMFHKWTSKZ-YPWXZKOESA-N 308.381 2.563 50 1 DFGF COc1cccc(/C=N/NC(=O)c2cc3ccccc3oc2=O)c1 1857748452 CLJWYUZFZPXKIR-YBFXNURJSA-N 322.320 2.566 50 1 DFGF C[C@]12C=C3C(=O)CCC[C@@]3(OO1)O[C@H]2c1ccc([N+](=O)[O-])cc1 96934000 DEPHPLYXHYHWEU-XHSDSOJGSA-N 317.297 2.762 50 1 DFGF N#CC1=C(O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)C1=O 40631378 BRZDLFVYLWCSFA-QGZVFWFLSA-N 304.349 2.976 50 1 DFGF O=C1CCc2cc3nc(/C=C/CBr)[nH]c3cc2N1 586973328 HRAIFCKHHFZCES-OWOJBTEDSA-N 306.163 2.856 50 1 DFGF CC1=C(C=O)[C@@H]2C[C@@H]3N[C@@H](Cc4c3n(C)c3ccccc43)[C@@H]2CO1 14719755 OFYVAURZLGIEIY-NBMRYCAZSA-N 322.408 2.873 50 1 DFGF CC1(C)Oc2ccc(/C=C/C#N)cc2[C@@H](n2ccccc2=O)[C@@H]1O 40499182 LLMAPHSEOIJNGC-VGRIIWOTSA-N 322.364 2.506 50 1 DFGF COc1cc2c3c(c1)OC1(CC(Br)C1)[C@@H](C2)C3=O 587416755 DUGMVNDNAWDXCY-CFEOFWIRSA-N 309.159 2.739 50 1 DFGF COc1cc(O)cc(OC)c1/C=N/NC(=O)Nc1ccccc1 98082434 TWEYCGGKJWUTOY-LICLKQGHSA-N 315.329 2.565 50 1 DFGF COc1ccc(/C=N/NC(=O)c2cc3ccccc3[nH]2)cc1O 1857588063 LWLUJJYQXFNMPY-VCHYOVAHSA-N 309.325 2.646 50 1 DFGF CCc1ccc(OCC(=O)N/N=C2/CC(=O)c3ccccc32)cc1 100546959 NTCDOWNXPSCQRK-JZJYNLBNSA-N 322.364 2.735 50 1 DFGF C[C@]1(O)OC(=O)C=C1[C@@H]1CC[C@](C)(Cl)[C@@H](Br)C1 2356566959 ARPGIRZFNMNODV-PVPBFOTQSA-N 323.614 2.739 50 1 DFGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](Cl)C=O)N1 587686739 DNQBQRJMXWPERF-UTMSNSNXSA-N 320.589 2.970 50 1 DFGF C=C1Nc2c(N=Nc3ccccc3F)c(N)nn2C(N)=C1C#N 957643981 PPLSBNREGXBBJF-UHFFFAOYSA-N 310.296 2.610 50 1 DFGF C=C1C[C@@H](OC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\C)CC[C@H]1OO 238754945 BWIRHKRGIDAFBK-VHGODSFRSA-N 322.357 2.561 50 1 DFGF N[C@H](C(=O)N/N=C/c1ccccc1)c1ccc(C(F)(F)F)cc1 653786051 CDMGOGMKNBCPFW-MNUWJXFPSA-N 321.302 2.856 50 1 DFGF O=C1OC(=O)c2cc(-c3nc4c(F)cnc(Cl)c4[nH]3)ccc21 586908153 ZLSVGZXFASUJPH-UHFFFAOYSA-N 317.663 2.728 50 1 DFGF C[n+]1cccc2ccc3c(c21)OC(N)=C(C#N)[C@H]3c1ccccc1 546891 OUNNHNGCXQLNFQ-KRWDZBQOSA-N 314.368 2.882 50 3 DFGF C[C@H]1OO[C@@H](COC(=O)CC23CC4CC(CC(C4)C2)C3)[C@@H]2O[C@H]12 43552985 FJAKSVQHKKBFSM-JQLMRPJVSA-N 322.401 2.622 50 1 DFGF C=C1C(=O)OC[C@@H]1[C@@H](/C=C(\C)CC/C=C(\C)C=O)OC(C)=O 13366390 QTCMTKDJKLLGFD-YIIQIHFSSA-N 306.358 2.519 50 1 DFGF O=c1c2ccccc2nc2n(Cc3ccccc3)c(CCl)nn12 28713689 AEUOIDZLAYAUPK-UHFFFAOYSA-N 324.771 2.831 50 1 DFGF C/C=C1/CN2CC[C@@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1cc(O)ccc14 238780728 TXQARMFHKWTSKZ-XIUAULCJSA-N 308.381 2.563 50 1 DFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C(F)F)O2 587380769 ABGJOQSDJHCZMI-LBPRGKRZSA-N 320.133 2.941 50 1 DFGF O=C(COc1c(Cl)cccc1Cl)N/N=C/c1ccc[nH]1 84741321 OLFNYUPTZGYOKQ-REZTVBANSA-N 312.156 2.851 50 1 DFGF C=CC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169320731 FZTWQIWCFNJTQK-QUEOHHOLSA-N 308.374 2.951 50 1 DFGF COc1ccc(Cl)cc1CC=NNC(=O)c1ccncc1 253650387 AGBLESULQKYYBV-UHFFFAOYSA-N 303.749 2.702 50 3 DFGF C/C(=N\NC(=O)COc1cccc2cccnc12)c1ccccn1 66058922 CYBIUBYMTAALAU-FYJGNVAPSA-N 320.352 2.549 50 1 DFGF O=C(NN/C=N\c1cccc(C(F)(F)F)c1)c1ccncc1 73140090 IFNWVDCSJIPVTB-UHFFFAOYSA-N 308.263 2.695 50 1 DFGF Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C\NC(C)C)C=C3C=O 102794717 CYMOHBNNNKMSSG-WQLSENKSSA-N 323.348 2.762 50 1 DFGF C[C@H](Oc1ccc(F)cc1Cl)C(=O)N/N=C/c1ccc[nH]1 84690036 CNTXASDFZOXYLJ-ZBPACCJBSA-N 309.728 2.725 50 1 DFGF CCS(=O)(=O)c1ccc2nc([C@H](C)Br)[nH]c2c1 587007773 DQMBIDOKLAMPEG-ZETCQYMHSA-N 317.208 2.812 50 1 DFGF CCOC(=O)NNc1[nH]c(-c2ccccc2)cc1C(=O)OCC 40899860 ISNCHWRDOJBQHI-UHFFFAOYSA-N 317.345 2.931 50 1 DFGF C=CC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]42OO3 195261964 FZTWQIWCFNJTQK-ZOINMRNXSA-N 308.374 2.951 50 1 DFGF CCO/C=N/C1=C(C#N)SC2=N/C(=C\c3ccccc3)C(=O)N21 5823148 YIRFWAIRGXOUFQ-DVHDXZMDSA-N 324.365 2.730 50 1 DFGF N#C/C(=C\C=C\c1ccc2c(c1)OCO2)C(=O)N1CCCCC1 1857563895 RJHXVSJWHHQHNK-VCXFDYNHSA-N 310.353 2.891 50 1 DFGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2[nH]1 1857608712 UKCPKYCTUOHCAD-LICLKQGHSA-N 308.297 2.840 50 1 DFGF NNC(=O)c1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1 587033474 VXZQXLIYKQVAQQ-UHFFFAOYSA-N 324.365 2.754 50 1 DFGF Cn1cc(C(=O)Cl)c(C(=O)c2coc3cc(C#N)ccc23)n1 587278240 KOTHEJVQFADBKX-UHFFFAOYSA-N 313.700 2.648 50 1 DFGF NNC(=O)c1ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1 587149590 HRUDQRJFDCUMQU-UTCJRWHESA-N 314.295 2.615 50 1 DFGF O=C(N/N=C\c1ccc(Cl)cc1)Nc1nnc(S)s1 95584272 BSHHCSKFMMIYNE-XGICHPGQSA-N 313.795 2.636 50 1 DFGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)no1)[C@@H](C2)C3=O 587420832 JDXNYESJDDVZKN-ZBEGNZNMSA-N 319.744 2.873 50 1 DFGF C/C(NNC(=O)c1cc2c(s1)CC[C@H](C)C2)=C1\C=CC=N1 36229401 DADQALCORVCLDT-KAMHRAILSA-N 301.415 2.979 50 3 DFGF C=C1C(=O)OC[C@@H]1[C@H](C=C(C)CCC=C(C)C=O)OC(C)=O 2356648181 QTCMTKDJKLLGFD-HOTGVXAUSA-N 306.358 2.519 50 1 DFGF C[C@]1(O)C[C@@H](CSC#N)O[C@@H](c2ccc([N+](=O)[O-])cc2)C1 40899275 AININMBFVYBCEE-MJBXVCDLSA-N 308.359 2.780 50 1 DFGF C[C@@H]1C(=O)C(C#N)=C[C@]2(c3ccccc3)c3ncncc3CC[C@@H]12 1857558896 AZVFCRSFDDZELR-QKMWGZLOSA-N 315.376 2.994 50 1 DFGF C[C@H](Br)c1nc2nc(Br)c[nH]c-2n1 587007559 ALIDDUZRMMKVIZ-VKHMYHEASA-N 305.961 2.523 50 1 DFGF O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccccn1 15878977 VCTZGXSKJCCTPE-LSCVHKIXSA-N 324.167 2.918 50 1 DFGF CN(C)CCSSCCCNC(=O)c1cccs1 618010434 XBOOAKGPUYMDHV-UHFFFAOYSA-N 304.506 2.811 50 1 DFGF NNC(=O)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586891758 VJIRUCKUMNAEBI-LIRRHRJNSA-N 318.380 2.538 50 1 DFGF COc1cc(OC)c(OC)cc1C=C(C#N)C(=O)OC(C)C 2356744787 IZHSYDHRUOUIHA-UHFFFAOYSA-N 305.330 2.571 50 1 DFGF C[C@H](Br)c1nc2ccc(OCCN(C)C)cc2[nH]1 587007687 CXOPQQUEXXOJDS-VIFPVBQESA-N 312.211 2.959 50 1 DFGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cnon1)CC2=O 587459163 GIAZWPVKRIBLHZ-HNNXBMFYSA-N 322.748 2.827 50 1 DFGF CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccn2)ccc1O 12487857 YLOCSAFUCGFNJU-UKTHLTGXSA-N 309.325 2.732 50 3 DFGF CC(C)(F)[C@H](Br)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587087102 LWEPFSWZJPIVRB-SCSAIBSYSA-N 322.569 2.555 50 1 DFGF C=CC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3 195261973 FZTWQIWCFNJTQK-URXBTJFJSA-N 308.374 2.951 50 1 DFGF COc1cc2c3c(c1)O[C@@](CCl)(c1cccn1C)[C@@H](C2)C3=O 587418975 CHCMDWANFAFAMF-YVEFUNNKSA-N 317.772 2.915 50 1 DFGF COc1ccc(C(=O)N/N=C\c2coc3ccccc3c2=O)cc1 15924396 TUJGWNVEVZOMRG-GRSHGNNSSA-N 322.320 2.566 50 3 DFGF Cc1ccc2oc(=O)cc(CC(=O)N/N=C/c3ccccc3)c2c1 40918728 WRNVXBDHBVQLGC-UDWIEESQSA-N 320.348 2.794 50 1 DFGF CN(C)CCSSCCCNC(=O)Cc1ccccc1 618009903 MXBMQLCMBKZSEP-UHFFFAOYSA-N 312.504 2.678 50 1 DFGF COC(=O)c1ccc2nc([C@H](C)Br)[nH]c2c1OC 587009278 YVZPTWJWELBRFW-LURJTMIESA-N 313.151 2.814 50 1 DFGF CC(C)(F)[C@H](Br)c1nc2cc(N)c(N)cc2[nH]1 587086560 DBRADFYWDUIIDO-SECBINFHSA-N 301.163 2.911 50 1 DFGF CCn1ncc(/C=N/NC(=O)c2cc(Cl)ccc2OC)c1C 355561 QPDFTLPGGXEHDG-CAOOACKPSA-N 320.780 2.637 50 3 DFGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCl)c1cnnn1C 963239011 IPISVWNTCORGQG-SUMWQHHRSA-N 318.852 2.954 50 1 DFGF NC(=O)c1c(F)ccc(OCCCCBr)c1F 203671871 QTPRJPDNDYCPHQ-UHFFFAOYSA-N 308.122 2.618 50 1 DFGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccn(C)c1)[C@@H](C2)C3=O 587423745 VUTULSCMWITDTH-GUYCJALGSA-N 317.772 2.915 50 1 DFGF CC(=O)OCC(C)=CC(=O)O[C@@H]1C=C(C=O)C(C)(C)C=C1C 2356615027 RYGKALGARMELFA-OAHLLOKOSA-N 306.358 2.519 50 1 DFGF CC(=O)OCC(C)=CC(=O)O[C@@H]1C(C)=CC=C(C=O)C1(C)C 2356667880 UGWAKJANSZEVRT-MRXNPFEDSA-N 306.358 2.519 50 1 DFGF O=C(N/N=C\c1cccc(Cl)c1)[C@@H]1COc2ccccc2O1 33293423 YDVQZULIPVZRRI-QJVAEYLJSA-N 316.744 2.630 50 1 DFGF CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(/O)c2ccccc2)cc1 96933726 SHIOBPJQDMLVCL-VHEBQXMUSA-O 317.372 2.897 50 1 DFGF CC1(C)OC2=C(C[C@@H]1Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356485150 VFXDQLBBKLSXJV-JTQLQIEISA-N 308.717 2.537 50 1 DFGF CN(C)C(=O)/C(C#N)=C/c1cccc(-c2cnc3[nH]ccc3n2)c1 148993274 XXZRACQANQDIAP-NTEUORMPSA-N 317.352 2.620 50 1 DFGF COc1ccc(C(=O)N(C)/N=C/c2ccc(O)cc2)cc1OC 95554761 AUNNYAJNOYHYNQ-WOJGMQOQSA-N 314.341 2.516 50 1 DFGF COC(=O)[C@]12C=CC(=O)C(O)=C1CC(CC/C=C(\C)C=O)=CC2 103237185 DAXHANUNZFARPB-CJPFPAEUSA-N 316.353 2.742 50 1 DFGF C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)C[C@@H](C)Cl)cc1 27894092 RRMXYMXQNJKTGN-VHSXEESVSA-N 307.781 2.503 50 1 DFGF CCO[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H]1Cl 587420884 MLIJUISBMIDIPZ-QTDMDRALSA-N 308.761 2.598 50 1 DFGF Cc1ccc(-c2noc(C(=O)N/N=C/c3ccc(O)cc3)n2)cc1 45349010 RNXCKAFJFKIQLL-VCHYOVAHSA-N 322.324 2.515 50 1 DFGF Oc1ccc2c(c1O)CC[C@H](N(CCCl)CCCl)C2 29558352 SEWQIFVBDMOFRY-NSHDSACASA-N 304.217 2.735 50 1 DFGF CC1=Nc2ccccc2/C1=C/NNC(=O)c1cc(C(C)C)[nH]n1 104027533 QXGSZWIPFIEFDH-UKTHLTGXSA-N 309.373 2.915 50 3 DFGF C/C(=N\NC(=O)c1ccncc1)c1ccccc1Br 20754347 HSEKKAZKJGXESZ-LICLKQGHSA-N 318.174 2.998 50 1 DFGF Cc1ccc(N2C(=O)[C@@H](Cl)[C@]23C(=O)Nc2ccccc23)cc1 103222532 NFMFQJGWSXSIOP-RHSMWYFYSA-N 312.756 2.797 50 1 DFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cnoc1C)O2 587373028 PDQCGJJTIOKWJO-HNNXBMFYSA-N 306.749 2.973 50 1 DFGF CCCCCC(=O)N/N=C1\NC[C@H](Cc2ccccc2)S1 4175643 UEYAQMAUEDKHPQ-AWEZNQCLSA-N 305.447 2.902 50 3 DFGF CC1(C)COC(CCC/C=N/NC(=O)c2ccccc2O)OC1 95808642 SRSSCWIBHQGFKO-VCHYOVAHSA-N 320.389 2.677 50 1 DFGF COc1cc2ccnc3c2c(c1OC)[C@H](Br)OC3=O 28524575 MTDLYFVQDDTTLR-GFCCVEGCSA-N 324.130 2.816 50 1 DFGF COc1ccc(CC(C#N)=C(C#N)CC2(O)CCC(=O)CC2)cc1 2356553864 FYQIYXHTDWFBNG-UHFFFAOYSA-N 324.380 2.846 50 1 DFGF O=C(CCCCCCB(O)O)Nc1nc2ccccc2s1 195125334 LYUCPPOOGUHWEF-UHFFFAOYSA-N 306.196 2.658 50 1 DFGF CO[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@@]1(C)F)[C@]42OO3 101659344 GMQPMNXBVFIFOX-YRDUFCKGSA-N 316.369 2.933 50 1 DFGF C=CCN/C(SC)=C(/C#N)C(=O)Nc1ccc(OCC)cc1 1857765570 LVDRDGGUMCSDMF-JQIJEIRASA-N 317.414 2.898 50 1 DFGF N#C/C(=C/c1ccccc1)c1nc2c(S)nc(S)nc2[nH]1 587187184 DJVSAIQTGHFSHZ-TWGQIWQCSA-N 311.395 2.994 50 1 DFGF CO[C@]12c3ccccc3-c3ccccc3[C@H]1[C@H]1C(=O)OC(=O)[C@H]12 73417929 JVUYITYOPQCFKX-PASDCYSWSA-N 306.317 2.622 50 1 DFGF NNC(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 587161438 NYTKIMMQQHJIBJ-STQMWFEESA-N 310.332 2.577 50 1 DFGF COc1ccc(/C=N/NC(=O)C(=O)c2c[nH]c3ccccc23)cc1 1857629407 BVEOSDNCYZEWCS-KEBDBYFISA-N 321.336 2.510 50 1 DFGF COc1cc2c3c(c1)O[C@@H](c1cnn(CCCl)c1)[C@@H](C2)C3=O 587420895 JMYJUALPUUSWEM-LRDDRELGSA-N 318.760 2.619 50 1 DFGF CC(=O)OCC(C)=CC(=O)O[C@H]1C=CC(C)(C)C(C)=C1C=O 2356759431 PSQVEMACZNFARQ-HNNXBMFYSA-N 306.358 2.519 50 1 DFGF Cc1cc([C@@]2(CCl)NCCc3nc4ccccn4c32)c(C)[nH]1 962983710 MEYVKPJLKXAVDP-QGZVFWFLSA-N 314.820 2.907 50 1 DFGF NNC(=O)c1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1 587950528 COSAOADJMALSRH-UHFFFAOYSA-N 322.368 2.765 50 1 DFGF COc1ccc([C@@H]2C(C#N)=C(N)NC3=C2C(=O)CC(C)(C)C3)cc1 40845533 ZIOYVCXRYSCZTI-MRXNPFEDSA-N 323.396 2.719 50 1 DFGF CC[C@@H](Cl)C(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1 27894129 JAGRYBVNZNOUSM-BXKDBHETSA-N 307.781 2.503 50 1 DFGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CC(=O)N[N+](C)(C)C)O2 21399 RGPBEKGCIOOKSP-GOSISDBHSA-O 321.441 2.529 50 1 DFGF CC1(C)CC(=O)C2=C(C1)O[C@H](c1ccc(O)cc1)C(C#N)=C2N 4094578 ISCJJCOZZMWPND-QGZVFWFLSA-N 310.353 2.843 50 3 DFGF CN(C)CCSSCCCNC(=O)CCc1ccco1 618010385 WJLBCXSQKZTHLG-UHFFFAOYSA-N 316.492 2.662 50 1 DFGF CN(C)C(=O)c1ccc2nc(CCCCBr)[nH]c2c1 586972320 MHTRORGIELSMGJ-UHFFFAOYSA-N 324.222 2.982 50 1 DFGF CC(C)(F)[C@H](Br)c1nc2c(O)nc(S)nc2[nH]1 587087080 LPCNZZCIGPEBGM-SCSAIBSYSA-N 321.175 2.531 50 1 DFGF CC[C@@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414073 KFAVDOIUACJKGA-YGRLFVJLSA-N 311.175 2.986 50 1 DFGF C/C(=N\NC(=O)CC#N)c1cc2c(ccc3ccccc32)oc1=O 103291524 LGXNYJRAQCEKGA-RGVLZGJSSA-N 319.320 2.700 50 1 DFGF CN(C)CCOc1ccc2nc(/C=C\CBr)[nH]c2c1 586973261 HCMNGCVRPPKYTF-ARJAWSKDSA-N 324.222 2.911 50 1 DFGF C=C1C[C@H](OC(C)=O)[C@@H]2C(=C)C(=O)O[C@H]2C=C(C)CC[C@@H]1OO 2356390438 BWIRHKRGIDAFBK-YHUYYLMFSA-N 322.357 2.561 50 1 DFGF CCCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)O[C@H]1C 26567584 PKIQEUSPWBDVPK-ZWPWWNDZSA-N 309.454 2.702 50 1 DFGF C[C@@H]1CC[C@H]2[C@@H](CCC#N)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43888648 XSARECGQOICFGG-JUCPXWHTSA-N 321.373 2.679 50 1 DFGF O=C(CBr)/C(Br)=C/Br 85637079 ARCXGYKRXLSYCC-IWQZZHSRSA-N 306.779 2.582 50 1 DFGF CCCc1n[nH]c2c1[C@H](c1ccc(F)c(F)c1)C(C#N)=C(N)O2 5130345 GUIGDDJDUAGRKQ-CYBMUJFWSA-N 316.311 2.859 50 1 DFGF O=C(NN=C1[C@@H]2CC3C[C@@H]1CC(Cl)(C3)C2)c1ccccn1 100496895 BPFFHKLAWWUZIM-YZUGKSJVSA-N 303.793 2.985 50 1 DFGF C=C/N=N\[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]24OO3 195258608 SPGUMOTXXSUVDW-CWRUDJKRSA-N 322.361 2.723 50 1 DFGF CSC1=C(C#N)C(=O)N(c2ccc(C)cc2)C(=S)[C@H]1C#N 1650981 VUDXOGAVJFCSKS-LBPRGKRZSA-N 313.407 2.949 50 1 DFGF CO[C@@]12CCC[C@@H](C1)[C@](C)(CI)OO2 43947592 CHBBLXJUKACYNX-LPEHRKFASA-N 312.147 2.675 50 1 DFGF Oc1nc(O)c2ccc([C@H](Cl)c3ccc(F)cc3)nc2n1 587369457 IPLPWPYMQGSHGY-LLVKDONJSA-N 305.696 2.903 50 1 DFGF COC(=O)[C@H](C)[C@H]1CC[C@](CCC/C=C/C(C)=O)(OC)OO1 203525739 UACRRWTTYXVDEF-GNOPSUMXSA-N 314.378 2.564 50 1 DFGF COC1=COC(CCl)=C[C@]12CC(=O)c1cc(C)cc(N)c1O2 587377209 VGMWONQPBLVUFS-INIZCTEOSA-N 321.760 2.922 50 1 DFGF Cc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCCCO3)cc1 1772633385 WOKIQURTPKSDLN-XDHOZWIPSA-N 310.353 2.920 50 1 DFGF CN(C)CCSSCCn1cc(CC2CCCC2)nn1 618010152 QQSHBOHXJJWHPQ-UHFFFAOYSA-N 314.524 2.954 50 1 DFGF CCO[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H]1Cl 587420881 MLIJUISBMIDIPZ-NODPJGRNSA-N 308.761 2.598 50 1 DFGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCl)c1cnnn1C 963239010 IPISVWNTCORGQG-GUYCJALGSA-N 318.852 2.954 50 1 DFGF Cc1ccc2[nH]c(C(=O)NN/C=C3\C=CC=CC3=O)c(C)c2c1 12475514 DTGBFNUZZGSNPW-JLHYYAGUSA-N 307.353 2.598 50 3 DFGF C[C@@H]1C(=O)C(C#N)=C[C@]2(c3ccccc3)c3n[nH]cc3CC[C@@H]12 1857567097 WWRYSJLVOMDRAJ-XGINMYPSSA-N 303.365 2.927 50 1 DFGF Cc1ccc2c(c1)[C@@]1(C(C#N)=CO2)c2c(N)ccc3c2CCN1C3 962949896 CXCMIWWETPCKBU-FQEVSTJZSA-N 315.376 2.992 50 1 DFGF CC[C@@H]1C(=O)[C@@H](CC)[C@@]23C[C@@H](C)CC[C@@]24OO[C@@](C)(O4)[C@H]1O3 299846710 ZVZXOCJZAIGMNG-FJSSWKJSSA-N 310.390 2.970 50 1 DFGF C/C(=N/NC(=O)CSc1nc(C)cc(C)n1)c1cccs1 13113862 JFQVRCPRNSCAOJ-BOPFTXTBSA-N 320.443 2.787 50 1 DFGF CN1C=CN(COCC(C)(C)CBr)/C1=C/N=O 209133076 NLTKBJADVRFRSU-UXBLZVDNSA-N 304.188 2.666 50 1 DFGF COC(=O)[C@H]1[C@]2(C)CC[C@@H](Cl)C(C)(C)[C@]23O[C@H]3C[C@@]1(C)O 2356503307 CNNDPTJJQLGZBJ-YAUNHKKPSA-N 316.825 2.502 50 1 DFGF Cc1cc(C=C(C#N)C#N)c(C)n1-c1cccc(-c2nnn[nH]2)c1 73158730 NBSLCBNRRCEMJI-UHFFFAOYSA-N 315.340 2.705 50 1 DFGF CC1(C)CCC(Cc2nc3ccc(C(=O)NN)cc3[nH]2)CC1 587963734 ROZQZSMIKCXMDQ-UHFFFAOYSA-N 300.406 2.925 50 1 DFGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)c1ccc([N+](=O)[O-])cc1 13822335 WSDDCSPJUMHQSE-KPKJPENVSA-N 310.265 2.796 50 1 DFGF C[C@@H](Cl)CC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1 27894104 RRMXYMXQNJKTGN-NXEZZACHSA-N 307.781 2.503 50 1 DFGF CCCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]23[C@H]1O4 169359134 TZAQQVMCWXHOOC-MYMDNWMNSA-N 309.406 2.844 50 1 DFGF C[C@]1(O)OC(=O)C=C1[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1 166789710 ARPGIRZFNMNODV-QZDOIJKTSA-N 323.614 2.739 50 1 DFGF O=C(CCl)c1cc(-c2ccc3c(O)nc(O)nc3n2)cs1 587562994 OBQXMVVCXALLTI-UHFFFAOYSA-N 321.745 2.586 50 1 DFGF CCC(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1 199466778 HERFVBIZLLFZOL-VZUCSPMQSA-N 304.302 2.918 50 1 DFGF COc1cc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2cc1F 586906868 RZASKNLMFKKOKS-UHFFFAOYSA-N 312.256 2.688 50 1 DFGF CCO[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H]1Cl 587420887 MLIJUISBMIDIPZ-RPCMGYBJSA-N 308.761 2.598 50 1 DFGF Cc1c(CBr)[nH]c2ccc(S(C)(=O)=O)cc12 587649390 UGAQZUQWXURZRN-UHFFFAOYSA-N 302.193 2.775 50 1 DFGF O=C(NN/C=C1\C=Nc2ccccc21)c1cccc([N+](=O)[O-])c1 13132541 FUHWLDKTXQBAFV-ZRDIBKRKSA-N 308.297 2.586 50 3 DFGF C/C(=N\NC(=O)c1snnc1C(F)(F)F)c1ccccc1 103190279 VGNNBJKANPTPEN-FRKPEAEDSA-N 314.292 2.711 50 1 DFGF O=C1COC(CCl)=C[C@]12c1ccc(F)cc1C[C@@H]1CCCN12 963109210 YYRNAEFODOODGL-GUYCJALGSA-N 321.779 2.764 50 1 DFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103105420 HOHHKZXEBTWDGW-VBGZEHGNSA-N 310.390 2.826 50 1 DFGF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1CCBr 587649414 URCGQJLAXAGXMH-UHFFFAOYSA-N 316.220 2.817 50 1 DFGF CC(=O)O[C@@H]1C[C@H](C)C(C=O)=C2[C@@H]1C(C)(C)C[C@@]2(C)C(=O)O 2356721162 WJDMOSUZDQFRMJ-HZCLXVJHSA-N 308.374 2.590 50 1 DFGF CCCCCC(=O)N/N=C1\NC[C@@H](Cc2ccccc2)S1 4175646 UEYAQMAUEDKHPQ-CQSZACIVSA-N 305.447 2.902 50 3 DFGF O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)cc1O 13864066 DRSASEQBRALQAJ-VXLYETTFSA-N 322.320 2.721 50 1 DFGF O=C(NNC(=O)c1ccc(-n2cccc2)cc1)c1ccc(F)cc1 17359749 KUZYWSGQSLQQRA-UHFFFAOYSA-N 323.327 2.691 50 1 DFGF O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1ccc2ncccc2c1 1857552906 RHIXUXPVJFFMLW-ODLFYWEKSA-N 320.308 2.907 50 1 DFGF NC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49745531 UOSSQTQEJHOGIQ-UHFFFAOYSA-N 321.417 2.879 50 1 DFGF O=C(NNc1nc2cc(F)ccc2n2cccc12)c1ccccn1 28640138 DTXPZJOWROLHIC-UHFFFAOYSA-N 321.315 2.779 50 1 DFGF CC(C)(NC(=O)CCl)c1nc2cc(Cl)c(Cl)nc2[nH]1 587009403 DIVKMNXUBVMMPV-UHFFFAOYSA-N 321.595 2.855 50 1 DFGF O=C(N/N=C\c1ccccn1)c1ccc(Br)cc1 13112121 HVMRJFFCKYXQOK-SXGWCWSVSA-N 304.147 2.608 50 1 DFGF COc1cc(O)c([C@H](N)Cc2ccc(OO)cc2)c(OC)c1 49877983 NVWGFDIXOLKIPR-CYBMUJFWSA-N 305.330 2.504 50 1 DFGF COc1cncc([C@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)c1 34052718 BKOTYOGRZOKSQO-MRXNPFEDSA-N 318.336 2.790 50 1 DFGF CN(C)CCSSCCN(C)C(=O)c1cccc(F)c1 618009389 CFHMZEFNSAQEPV-UHFFFAOYSA-N 316.467 2.841 50 1 DFGF C/C(CC(C)C)=N\NC(=O)CCC(=O)N/N=C(\C)CC(C)C 20468418 KBEAKEFDQDEHRA-HBKJEHTGSA-N 310.442 2.843 50 1 DFGF CC(=O)Nc1ccc(NC(=O)N/N=C/c2ccccc2O)cc1 28367037 LSPZHYIIYBQRJU-LICLKQGHSA-N 312.329 2.506 50 1 DFGF O=C(N/N=C/c1ccc([N+](=O)[O-])o1)C1C2CC3CC(C2)CC1C3 653903318 JPPJHGFUKBIOIU-CAOOACKPSA-N 317.345 2.710 50 1 DFGF CCN/C(SC)=C(/C#N)C(=O)Nc1ccc(OCC)cc1 1857655286 GSQZBPAZDPMATJ-FYWRMAATSA-N 305.403 2.731 50 1 DFGF NC(=O)CCCCCc1cccc(NC(=O)NCCCl)c1 29063233 DBJUPPQNPPBSMH-UHFFFAOYSA-N 311.813 2.635 50 1 DFGF COc1cc2c3c(c1)O[C@@](CCl)(C(C)(C)OC)[C@@H](C2)C3=O 587418121 RZXQLOFDYQIWCE-MEDUHNTESA-N 310.777 2.845 50 1 DFGF COc1ccc(/C(C=O)=C\c2ccc(O)cc2OC)c(O)c1 64513032 QETFXXXVFOYOIP-GHXNOFRVSA-N 300.310 2.855 50 1 DFGF O=C(CC(=O)Nc1cccc(Cl)c1)N/N=C/c1ccccc1 50083 CEUGNDBZLWGECS-WOJGMQOQSA-N 315.760 2.819 50 1 DFGF NNC(=O)c1cc(-c2cc3ccccc3o2)n(-c2ccccc2)n1 231278321 OOWPZGPQPGFQFX-UHFFFAOYSA-N 318.336 2.889 50 1 DFGF CC=C1CCN2CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1c(O)cccc14 2356492703 APTBAXHXUSTNJD-ZLXGRDSLSA-N 322.408 2.953 50 1 DFGF CCCc1c(O)ccc2c1O[C@@](CC)(C(=O)OC(C)=O)CC2=O 587486796 UHIGFAAIWYMCMI-QGZVFWFLSA-N 320.341 2.548 50 1 DFGF Cc1ccc(/C=C\c2nc3ccc(C(=O)NN)cc3[nH]2)cc1F 587146618 SMYIHQBPKGMJHO-DAXSKMNVSA-N 310.332 2.784 50 1 DFGF O=C(N/N=C/c1cc(O)cc(O)c1)c1cc2ccccc2cc1O 141632394 FLGZTGRHDGWWIE-VXLYETTFSA-N 322.320 2.721 50 1 DFGF N[P@]1(Cl)=NP(N2CC2)(N2CC2)=N[P@](N)(Cl)=N1 43663948 LRKGFZOMHLFYEE-GJZGRUSLSA-N 322.017 2.865 50 1 DFGF COc1cc(O)c2c(c1)C(=O)C1=C(C[C@@H](Cl)C(C)(C)O1)C2=O 144291946 ODBXTRLSXWKGLK-LLVKDONJSA-N 322.744 2.840 50 1 DFGF COc1cccc(Sc2ccccc2/C=N/NC(N)=O)c1 346305 OCTNWVNIGTXPOM-LICLKQGHSA-N 301.371 2.849 50 3 DFGF CC1(C)C[C@H]1C(=O)N/C(=C\CCCCBr)C(=O)O 26020683 YKNGZCCOZCQYAG-LKJZUNMESA-N 318.211 2.682 50 1 DFGF NNC(=O)c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586884414 PMDCMQBJSABYBT-ZMYIOMMISA-N 310.401 2.634 50 1 DFGF N[C@H](CCl)c1nc2cc(Br)c(F)c(F)c2[nH]1 587011569 SRLLXSUVJCXUIT-SCSAIBSYSA-N 310.529 2.842 50 1 DFGF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)NN)cc1 587906553 KLGWRKNAZQNDAP-UHFFFAOYSA-N 315.760 2.744 50 1 DFGF CC=C1CN2CC[C@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1c(OC)cccc14 2356521429 XOGYFPSILGIGCW-WSXQUGQNSA-N 322.408 2.866 50 1 DFGF N[C@H](CCl)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587010348 JHOCCOCFTQWYIB-SCSAIBSYSA-N 314.645 2.851 50 1 DFGF N#CC1=C(O)[C@H](Cc2ccccc2)N(Cc2ccccc2)C1=O 101456774 BRZDLFVYLWCSFA-KRWDZBQOSA-N 304.349 2.976 50 1 DFGF NCCSSCCNC(=O)/C=C/c1ccccc1Cl 618007717 MPFSMVCLKJORTE-AATRIKPKSA-N 316.879 2.810 50 1 DFGF CCO[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H]1Cl 587420866 MLIJUISBMIDIPZ-CAAGUOMGSA-N 308.761 2.598 50 1 DFGF Cc1cc2c(c(=O)o1)[C@H](c1ccc(C)s1)C(C#N)=C(N)O2 103169595 HWWLJKDYASWXLO-LBPRGKRZSA-N 300.339 2.536 50 1 DFGF CC1=CC[C@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 101262057 YOKWNCJKSSIUBC-IMJJTQAJSA-N 308.399 2.906 50 1 DFGF CC(=O)OCC=C(C)C[C@H]1C=C(CCC=C(C)C=O)C(=O)O1 2356606437 PUBGBXLWCIPNDH-INIZCTEOSA-N 306.358 2.663 50 1 DFGF O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1ccc2ncccc2c1 1857570911 VQCGVFBSHLGUQW-ODLFYWEKSA-N 320.308 2.907 50 1 DFGF C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)CCCCl)cc1 27887586 UABJTTKUHGJNDK-SNVBAGLBSA-N 307.781 2.504 50 1 DFGF C/C(=N\NC(=O)COc1cccc2cccnc12)c1ccco1 66058923 JWTZJRLVTIFHGX-XDHOZWIPSA-N 309.325 2.747 50 1 DFGF O=C(Cl)c1ccc([C@@H]2NCCc3nc4ccccn4c32)cc1 962988393 YHBUEMILGRCJMW-HNNXBMFYSA-N 311.772 2.948 50 1 DFGF CC[C@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414072 KFAVDOIUACJKGA-QMTHXVAHSA-N 311.175 2.986 50 1 DFGF C[C@H](Br)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587008633 MZNVEJDIWOYNNG-BYPYZUCNSA-N 315.083 2.835 50 1 DFGF COc1ccc(C(=O)N/N=C/C2=Cc3ccccc3OC2)cc1 1772597186 RWMKNKKBJXIIKJ-YBFXNURJSA-N 308.337 2.887 50 1 DFGF C[C@H]1C(C#N)=C(SCC(N)=O)N=C2CC(C)(C)CC(O)=C21 101690514 KHPOPGKKNFRUAH-QMMMGPOBSA-N 305.403 2.663 50 1 DFGF CO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@@]1(C)F)[C@]42OO3 101658323 GMQPMNXBVFIFOX-IRGWDELNSA-N 316.369 2.933 50 1 DFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cnoc1C)O2 587373031 PDQCGJJTIOKWJO-OAHLLOKOSA-N 306.749 2.973 50 1 DFGF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](CCl)N1 962702832 STKFWAKADYEMIW-ZJUUUORDSA-N 311.662 2.723 50 1 DFGF COC(=O)C[C@@H]1OO[C@](CCCC=CC(C)=O)(OC)C[C@@H]1C 2356482648 QBCJFJJPTMZNOE-NOLJZWGESA-N 314.378 2.564 50 1 DFGF CCOC(=O)c1cc(-c2ccc(NC(=O)CCCl)cc2)[nH]n1 72126933 QSYOGYXIXBJCDT-UHFFFAOYSA-N 321.764 2.821 50 1 DFGF COc1ccc2[nH]c(C)cc(=NNC(=O)c3ccccc3)c2c1 1857583689 NRGLDICPIHGIPO-UHFFFAOYSA-N 307.353 2.731 50 1 DFGF O=C1OC(=O)[C@@H]2[C@H]1[C@H]1O[C@H]2C(c2ccccc2)=C1c1ccccc1 169361011 FALSGXOQZDXLHB-MHORFTMASA-N 318.328 2.694 50 1 DFGF COC(=O)[C@@]12C=CC(=O)C(O)=C1CC(CC/C=C(\C)C=O)=CC2 103237183 DAXHANUNZFARPB-AJOBCWHBSA-N 316.353 2.742 50 1 DFGF O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)Oc1ccccc1 28979940 HGOBHTJMFYGJDZ-ZMZMSIHFSA-N 301.258 2.975 50 1 DFGF C[C@@H]1O[C@]23C[C@H](c4ccc(F)cc4)OC(=O)C2=C[C@@]1(C)OO3 96934020 RFCPLFWKNSJFOT-CIGJXOAISA-N 306.289 2.576 50 1 DFGF O=C(/C=C/c1ccc(B(O)O)cc1)c1ccc(Cl)c(Cl)c1 195201623 XHGMLFSMWGDCGK-FPYGCLRLSA-N 320.968 2.569 50 1 DFGF COC1=CC(=CC(C#N)=C2Nc3ccccc3N2)C=C(OC)C1=O 13130721 YOZAPDTYICVQBP-UHFFFAOYSA-N 321.336 2.829 50 3 DFGF [C-]#[N+][C@H]1C(C)=NC2=C(C(=O)OC2)[C@@H]1c1ccc2n[nH]c(C)c2c1 169703225 ZPJBJFQOAIBECC-HOCLYGCPSA-N 306.325 2.528 50 1 DFGF CN(C)CCSSCCN(C)C(=O)c1ccc(F)cc1 618010158 QUEDWMKQHOVKEA-UHFFFAOYSA-N 316.467 2.841 50 1 DFGF CC(=O)OCC(C)=CC(=O)O[C@H]1C(C)=CC=C(C=O)C1(C)C 2356667879 UGWAKJANSZEVRT-INIZCTEOSA-N 306.358 2.519 50 1 DFGF N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(F)cc(F)c1 473154452 HRBZPXRKYUBFFZ-AWEZNQCLSA-N 302.280 2.780 50 1 DFGF COC(C)(C)[C@H](Br)c1nc2cnc(Cl)[nH]c-2n1 586970474 FJJSWGFUGDFVEW-ZCFIWIBFSA-N 319.590 2.819 50 1 DFGF CC1(C)OC2=C(C[C@H]1Cl)C(=O)c1c(O)cc(O)cc1C2=O 205424207 VFXDQLBBKLSXJV-SNVBAGLBSA-N 308.717 2.537 50 1 DFGF C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)CCCCl)cc1 27887592 UABJTTKUHGJNDK-JTQLQIEISA-N 307.781 2.504 50 1 DFGF O=C(C=C(Br)Br)CBr 14769510 KBGOGHOUQFDUTN-UHFFFAOYSA-N 306.779 2.582 50 1 DFGF biogenic O=C(N/N=C/c1ccccc1F)c1cc2ccccc2oc1=O 1857561140 JYOXWIFPAZDILW-VXLYETTFSA-N 310.284 2.696 50 1 DFGF C=C/N=N\[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]24OO3 195258585 SPGUMOTXXSUVDW-JWEPTDNWSA-N 322.361 2.723 50 1 DFGF COC(C)(C)[C@H](Br)c1nc2cc(F)cnc2[nH]1 586970568 COQBSODKSMTXBA-MRVPVSSYSA-N 302.147 2.958 50 1 DFGF COc1cccc(Sc2ccccc2/C=N\NC(N)=O)c1 13111785 OCTNWVNIGTXPOM-YVLHZVERSA-N 301.371 2.849 50 1 DFGF O=C(CCl)Nc1n[nH]c2ncc(-c3ccc(O)cc3)cc12 1857643122 OMWLCPNPJAWQQS-UHFFFAOYSA-N 302.721 2.508 50 1 DFGF CC[C@@]1(C(=O)OC(C)=O)CC(=O)c2ccc3c(c2O1)CCCC3 587523675 OFQOUGZXEKTJLY-SFHVURJKSA-N 316.353 2.769 50 1 DFGF COC1=COC(CCl)=C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587377217 VGMWONQPBLVUFS-MRXNPFEDSA-N 321.760 2.922 50 1 DFGF CSC1=C(C#N)C(=O)N(c2ccc(C)cc2)C(=S)[C@@H]1C#N 5837947 VUDXOGAVJFCSKS-GFCCVEGCSA-N 313.407 2.949 50 1 DFGF CC=C1CN2CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1c(OC)cccc14 2356521430 XOGYFPSILGIGCW-ZLXGRDSLSA-N 322.408 2.866 50 1 DFGF NNC(=O)c1cc(-c2cccs2)nn1-c1ccc(Cl)cc1 958029548 PMTJYWTYXVCMBT-UHFFFAOYSA-N 318.789 2.858 50 1 DFGF COc1ccc2nc([C@H](Br)C(C)(C)OC)[nH]c2n1 586971487 SSSVILBPCKRCHM-VIFPVBQESA-N 314.183 2.828 50 1 DFGF C[C@H]1COc2ccccc2N1C1=NC(=O)[C@@](C)(CCl)S1 103184039 QNJDNTPHPODBDW-LKFCYVNXSA-N 310.806 2.901 50 1 DFGF C[C@@]1(CC(=O)NCc2ccncc2)CC2(CCCCC2)OO1 49710496 IKKXEAGTIWLWTR-MRXNPFEDSA-N 304.390 2.901 50 1 DFGF CC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@@H]1COCCCO 195002471 QZRNGUFBCZXZLV-ZIAGYGMSSA-N 304.503 2.955 50 1 DFGF Oc1nc(O)c2ccc(-c3cc(F)cc(CCl)c3O)nc2n1 587368158 JNNDJJBXFXXVSC-UHFFFAOYSA-N 321.695 2.687 50 1 DFGF NNC(=O)c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586884412 PMDCMQBJSABYBT-YCTNLIARSA-N 310.401 2.634 50 1 DFGF C/C=C1\CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1cc(O)ccc14 238760683 TXQARMFHKWTSKZ-WEWXLFPBSA-N 308.381 2.563 50 1 DFGF COC(=O)[C@H](Cl)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587495232 CCJPBSCIGBXLKX-ZIAGYGMSSA-N 308.761 2.680 50 1 DFGF CC(C)(F)[C@H](Br)c1nc2cccc(C(N)=O)c2[nH]1 587086624 FQXRYICTFFOBAP-SECBINFHSA-N 314.158 2.846 50 1 DFGF NNC(=O)c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)cc1 587875017 LVNRENJHFIYDME-UHFFFAOYSA-N 310.288 2.388 50 1 DFGF COc1cc2c3c(c1)O[C@@](C)([C@H](C)Br)[C@@H](C2)C3=O 587412813 CMCIUPIBSJJOCL-BNOYYICYSA-N 311.175 2.985 50 1 DFGF CN(C)CCSSCCNC(=O)c1c(F)cccc1F 618007667 DWLWPKGKWBJVEW-UHFFFAOYSA-N 320.430 2.638 50 1 DFGF NNC(=O)c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586891756 VJIRUCKUMNAEBI-KUHUBIRLSA-N 318.380 2.538 50 1 DFGF Cc1ccc(/C=C(\C#N)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 587187131 COTMDFRWYWPYKK-UXBLZVDNSA-N 310.748 2.743 50 1 DFGF Cc1ccc(/C=C(/C#N)c2nc3c(O)nc(S)nc3[nH]2)cc1 587187516 IBIHOVFUTSLFLK-POHAHGRESA-N 309.354 2.720 50 1 DFGF COc1cc2c3c(c1)OC1(CC(CBr)C1)[C@@H](C2)C3=O 587411128 BSJGCUHDWUTZHL-DYNOMCFFSA-N 323.186 2.986 50 1 DFGF CC1(C)CC(=O)C2=C(C1)O[C@@H](c1ccc(O)cc1)C(C#N)=C2N 331863 ISCJJCOZZMWPND-KRWDZBQOSA-N 310.353 2.843 50 3 DFGF O=C(CCl)c1c(CO)oc2cc(Br)cnc12 587276620 PBPJLGWHFDNEEN-UHFFFAOYSA-N 304.527 2.504 50 1 DFGF NNC(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 587161437 NYTKIMMQQHJIBJ-QWHCGFSZSA-N 310.332 2.577 50 1 DFGF