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C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)CCNS(C)(=O)=O)CC1 1705271257 NPNMLGGTLDZSHU-NEPJUHHUSA-N 359.448 -0.718 30 10 FBEE C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)C[C@H](C)SC)C[C@H]2O)nn1 1719098642 LXAABZUEQYGEFU-DMDPSCGWSA-N 353.448 -0.093 30 10 FBEE C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1C 1719169456 IYUIOHYFYLCUGU-MGPQQGTHSA-N 370.471 -0.045 30 10 FBEE C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)[C@H](C)OC)[C@H](OC)C2)CC1 1719217053 STJPMDWSDNMPLG-NUEKZKHPSA-N 351.447 -0.292 30 10 FBEE CC#CCCCC(=O)N[C@@H]1CN(C(=O)CCNC(=O)NC)C[C@H]1OC 1719241600 CLWSOJUFKTULDP-ZIAGYGMSSA-N 352.435 -0.159 30 10 FBEE C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2ccc3nnn(C)c3c2)C[C@@H]1O 1719272061 INMPWZWSHDEDSM-ZBFHGGJFSA-N 371.397 -0.690 30 10 FBEE C=CCC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@H](C)NC(=O)COC)C[C@@H]1O 1719273655 MWVJDXVXFCGMJK-UPJWGTAASA-N 355.435 -0.572 30 10 FBEE C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2cc(OC)no2)C1 1719278013 BSORMRODVWVZFK-BNOWGMLFSA-N 365.386 -0.658 30 10 FBEE 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C=CCCC(=O)N1C[C@@H](OCC)[C@H](CNC(=O)Cn2c(O)nnc2O)C1 1739931924 FTQJFBLYRRDJDJ-VXGBXAGGSA-N 367.406 -0.365 30 10 FBEE C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nnc(O)nc1O 1740284629 AJRJLOKKKITLDF-ZNSHCXBVSA-N 361.358 -0.817 30 10 FBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@]1(C)CCC(=O)NC1 1740317709 ZGDMVEYXOCBYEO-BZIRYSOJSA-N 374.441 -0.710 30 10 FBEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CNC(=O)CN1C(=O)CCC1=O)C1CC1 1758612032 IVVATRJRUABKPY-MCIONIFRSA-N 363.414 -0.263 30 10 FBEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)C(=O)C1 1760153257 LUNBOFFESHEIFP-CQSZACIVSA-N 374.445 -0.062 30 10 FBEE Cn1nnc(CN2CCC[C@@H]2C(=O)ON2C(=O)c3ccccc3C2=O)n1 1772792830 HCLFAEGIQHMBHE-GFCCVEGCSA-N 356.342 -0.071 30 10 FBEE C=CCCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C(=O)C2)C1 1854196329 PNNGPVDWTZAGKX-CABCVRRESA-N 369.487 -0.258 30 10 FBEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)C(C)C)[C@@H](C)C2=O)CC1=O 1856630535 UDZVBHWKRDVKEE-STQMWFEESA-N 371.459 -0.182 30 10 FBEE 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-0.252 30 10 FBEE C=CCCC(=O)N1CC[C@@H]2CN(C(=O)CNS(=O)(=O)N(C)C)[C@@H]2C1 1489650078 LYSDMISKSRXVNC-CHWSQXEVSA-N 358.464 -0.592 30 10 FBEE C[C@@H](CNCC(=O)NCC#Cc1ccccc1)CNC(=O)[C@H]1C[C@H]1C(N)=O 1495743752 SMKSLBVYAWIPDL-UAGQMJEPSA-N 370.453 -0.382 30 10 FBEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)Cn1cc(C2CC2)nn1 1511115813 BRBXUVZUBKIHGE-GUTXKFCHSA-N 363.418 -0.660 30 10 FBEE C#CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2nnn3C)C1 1513039345 PWDRUOLATJCFGQ-CHWSQXEVSA-N 356.386 -0.532 30 10 FBEE CO[C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@H]1NC(=O)[C@H](C)C#N 1513424450 LKSHORCAXXZXDS-JHJVBQTASA-N 371.459 -0.297 30 10 FBEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cc(N(C)C)ccn1 1533290857 YMAVZAKNLQYQGP-FMKPAKJESA-N 362.430 -0.054 30 10 FBEE C=CCOCCN1CC[C@H](NC(=O)c2cn(CC(=O)N(C)C)nn2)[C@H]1C 1566115432 KGORDVLKFGQVRF-KGLIPLIRSA-N 364.450 -0.239 30 10 FBEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(O)CCN(CCNC(=O)C2CC2)C1 1569757683 NGLFQKPNISTVEE-VKJFTORMSA-N 351.447 -0.343 30 10 FBEE C=CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2n[nH]c3ccccc23)C1 1572826249 WQPRZNWKHCWJOE-HZPDHXFCSA-N 358.398 -0.004 30 10 FBEE C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cc2ccc(OC)cn2)C[C@H]1O 1572829677 ZVRHHIHQJLSDPJ-HZPDHXFCSA-N 363.414 -0.087 30 10 FBEE C#CCOCCC(=O)N1C[C@@H](NC(=O)Cn2nc(C)cc2C)[C@H](OC)C1 1572957896 PSPRRVHKVMFUAZ-HZPDHXFCSA-N 362.430 -0.118 30 10 FBEE C=CCOCCCC(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@@H]1O 1572986550 STYMGDQGVJZBMB-OCCSQVGLSA-N 366.418 -0.992 30 10 FBEE C=CCCCC(=O)N[C@@H]1CN(C(=O)CN(C)S(=O)(=O)CC)C[C@@H]1O 1573026909 AOEGGFVBZDZREH-OLZOCXBDSA-N 361.464 -0.688 30 10 FBEE C#CCNC(=O)CC(=O)N[C@@H]1CC[C@H](CNC(=O)C[C@@H]2CCC(=O)N2)C1 1573184118 ULPLSUPASYDGCG-MJBXVCDLSA-N 362.430 -0.804 30 10 FBEE C#CCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H]1C 1573532690 ZGFXMGXJAWTJIY-DYEKYZERSA-N 358.398 -0.062 30 10 FBEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1574497474 XUHFVHROBLIAFS-WYUUTHIRSA-N 350.375 -0.965 30 10 FBEE C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNS(=O)(=O)NC 1574581533 JJWDYEYKNQPSTQ-FOCJUVANSA-N 372.491 -0.109 30 10 FBEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CC)NC(=O)CN1C(=O)CCC1=O 1582566968 XYISPLOZNMSLMM-UPJWGTAASA-N 351.403 -0.263 30 10 FBEE C#C[C@H](CO)NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1623069367 DBFIHLSTBJHYAH-GFCCVEGCSA-N 367.431 -0.721 30 10 FBEE C#CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)OC 1629617611 VBAJOOLBDOWHNU-CMPLNLGQSA-N 370.431 -0.615 30 10 FBEE O=C(CCC(=O)N1CCOCC1)NCCN/C(O)=C1/N=CC=CC1=O 1632874105 DCQBVOXXAZJLPY-NXVVXOECSA-N 350.375 -0.732 30 10 FBEE C#CCO[C@@H](C)C(=O)NC[C@H]1CC[C@@H](NCCN2CCCS2(=O)=O)C1 1656293562 ONBPCLFSLZVECL-HRCADAONSA-N 371.503 -0.065 30 10 FBEE C=C[C@](C)(O)CC(=O)N[C@@H]1CN(C(=O)C23CCCN2CCC3)C[C@@H]1O 1683443647 TZQUJFMVZOMKHE-KEYYUXOJSA-N 351.447 -0.370 30 10 FBEE C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnn3cc(C)cnc23)C[C@@H]1O 1683471682 NJFMSWZEIYEGJA-CFVMTHIKSA-N 371.397 -0.622 30 10 FBEE C=CCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 1683572290 ASFFCEWOFJCYQY-OLZOCXBDSA-N 359.386 -0.401 30 10 FBEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CC1 1685658842 MDJMSOXLJAUFAV-LBPRGKRZSA-N 368.463 -0.556 30 10 FBEE C=C(C)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnc(C(N)=O)n1 1686172575 HMWRUVFYUXOCQZ-UPJWGTAASA-N 360.418 -0.019 30 10 FBEE C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2nccc(C)n2)C[C@H]1OCC 1691746882 VXYBDWCJEZZVJI-HUUCEWRRSA-N 359.430 -0.399 30 10 FBEE C#CCNC(=O)[C@H](C)N[C@@H]1CC[C@H](CNC(=O)c2cccc(C(N)=O)n2)C1 1691955255 NOPZBRCECWPPLV-MELADBBJSA-N 371.441 -0.194 30 10 FBEE Cn1cc([C@@H]2CN(C(=O)COCc3nncn3C)C[C@H]2NCC#N)cn1 1691978470 HSRQUAYGNNXZFW-UONOGXRCSA-N 358.406 -0.827 30 10 FBEE C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)nc1 1701716936 GSTDGCXVUDLVOI-RDBSUJKOSA-N 358.398 -0.829 30 10 FBEE CC(=O)N1CCCC[C@H]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1702173170 QENNTTBHQHVLJL-GVDBMIGSSA-N 361.442 -0.121 30 10 FBEE C=CCCOCC(=O)N1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 1702265153 MDGSZMNARCXTIO-CHWSQXEVSA-N 351.407 -0.862 30 10 FBEE C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)CO[C@@H](C)CC)[C@H](OC)C1 1702302836 CKQLRHYMBVVVFS-BFHYXJOUSA-N 353.419 -0.717 30 10 FBEE C#CCNC(=O)CC(=O)N1C[C@@H](NC(=O)c2ccc(F)s2)[C@H](OC)C1 1702315174 YPKUCIWRCGORBR-GHMZBOCLSA-N 367.402 -0.018 30 10 FBEE C#CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)CNC(=O)c2ccoc2C)C1 1702360923 ALFQOKGGTBBFQO-CABCVRRESA-N 361.398 -0.191 30 10 FBEE C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)CCc3cncnc3)C2)nc1 1702371858 PSTSIPXRJFSMMM-SJORKVTESA-N 365.393 -0.213 30 10 FBEE C#CCOCCC(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CCNC3=O)C[C@H]2C1 1702656414 HOEXQUBZOOBSPP-OAGGEKHMSA-N 361.442 -0.141 30 10 FBEE C#CCOCCC(=O)N1C[C@H]2CCN(C(=O)c3cnn(C)c3N)C[C@H]2C1 1702656604 OHUPIWHXFMXCGM-KGLIPLIRSA-N 359.430 -0.037 30 10 FBEE C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)CNC(=O)NC)C[C@H]32)nc1 1719066190 VSAIQIAYJYGORM-DZGCQCFKSA-N 355.398 -0.335 30 10 FBEE C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1O 1719096896 CGKRYXHBSQWAMW-HZPDHXFCSA-N 360.414 -0.511 30 10 FBEE CC(C)C#CC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1 1719288363 KIDVRIMHJJFKLR-ZBFHGGJFSA-N 355.398 -0.071 30 10 FBEE C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCCS2(=O)=O)C[C@@H]1O 1719297860 RPTDLRDULYDRNR-XQQFMLRXSA-N 358.460 -0.146 30 10 FBEE CC(C)C#CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CN1C(=O)CNC1=O 1719504678 ZJECQMGZGHCWCK-KGLIPLIRSA-N 362.430 -0.059 30 10 FBEE C#CCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2ccc3nnnn3c2)[C@@H]1C 1719615554 YVSFRICHIPUGBX-BZPMIXESSA-N 356.386 -0.118 30 10 FBEE C#CCOCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C 1719710484 JDJMLSZWPCBYRR-APIJFGDWSA-N 365.430 -0.730 30 10 FBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCC(F)F 1719846909 UDCMHVCLGIMIBL-WOPDTQHZSA-N 357.357 -0.344 30 10 FBEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1720800721 AAHWTHWOSXDPNE-POQQGIQPSA-N 350.419 -0.658 30 10 FBEE C#Cc1ccc(C(=O)NC2(CCO)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 1726039073 SXSYTXGVSTWGON-ZIAGYGMSSA-N 358.354 -0.579 30 10 FBEE C=CCCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 1734640544 UJNOWKFSWRLYCR-XQQFMLRXSA-N 364.402 -0.540 30 10 FBEE C=CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)C2CCS(=O)(=O)CC2)C1 1735963745 OGOWWERBTFXCPR-KGLIPLIRSA-N 358.460 -0.145 30 10 FBEE C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H]1CC 1736207452 PMQNBNPPYIEXMB-WCQYABFASA-N 359.386 -0.981 30 10 FBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)CCc1cncn1C 1738904579 PEDZDFSCZNMVGG-QRTARXTBSA-N 364.446 -0.073 30 10 FBEE C=CCOCC(=O)N[C@@H]1CN(C(=O)CN2CCCCCCC2=O)C[C@H]1O 1739408916 YBDDTAQXBSOWBW-HUUCEWRRSA-N 367.446 -0.330 30 10 FBEE C#CCC1(C(=O)N2C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](C)C2)CCOCC1 1739494330 LRAGJRREJIZKDG-ZIAGYGMSSA-N 370.471 -0.186 30 10 FBEE N#CCSCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)C[C@@H]1O 1739599553 DDOXPRGBQZMIQW-HONMWMINSA-N 363.443 -0.541 30 10 FBEE C=CCOCCCC(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1O 1739615493 YCYQEQHFRHKCGF-KGLIPLIRSA-N 364.402 -0.440 30 10 FBEE C#Cc1ccccc1CC(=O)NCCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1758218354 GLNDUMLKOTYPPP-JKSUJKDBSA-N 357.410 -0.134 30 10 FBEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCNC(=O)C1 1760525450 GQWCTVCHLNRTQK-UHFFFAOYSA-N 355.402 -0.498 30 10 FBEE CC#CC[C@H](CO)NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1O 2076820969 LXAPRSAFBMVCSU-PBFPGSCMSA-N 356.419 -0.390 30 10 FBEE CC(C)(C#CC(=O)O)NC(=O)[C@@H]1[C@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C 2138034072 FHUIEJUJHNKHHD-KGYLQXTDSA-N 370.402 -0.300 30 10 FBEE CC1(C)OB(c2nscc2C(=O)NC[C@H]2CNC[C@H]2O)OC1(C)C 2255636399 TZYHCELUESIOLH-MWLCHTKSSA-N 353.253 -0.248 30 10 FBEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N1CC[C@@H](C#N)C1 2259112837 QHSWCIJRKCQZCD-LBPRGKRZSA-N 374.463 -0.010 30 10 FBEE Cc1c(C(=O)N[C@H](CO)[C@H](C)O)nn(C)c1B1OC(C)(C)C(C)(C)O1 2267005573 NMAWJCISCSBCRH-WDEREUQCSA-N 353.228 -0.501 30 10 FBEE 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C=CCn1cccc1C(=O)N1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@H](OC)C1 941666539 DNHXWZPLZGUWDZ-MBNYWOFBSA-N 362.386 -0.262 30 10 FBEE C#CCCN1CCC(NC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)CC1 1136962697 VWYWVYJMXUGASK-OAHLLOKOSA-N 350.463 -0.003 30 10 FBEE C=CCn1cc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)nn1 1161486482 KOTJZRVYTZSFNR-UHFFFAOYSA-N 360.399 -0.070 30 10 FBEE CN1C(=O)NC2(CCN(Cc3cc(O)n4ncc(C#N)c4n3)CC2)C1=O 1192929150 NPJFNMOTNXDQFK-UHFFFAOYSA-N 355.358 -0.177 30 10 FBEE C#CC1(O)CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 1230629604 LVEQJLSRMQNYAC-UHFFFAOYSA-N 352.416 -0.470 30 10 FBEE N#Cc1ncccc1S(=O)(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1261456933 QPRCNCNXIYGVCC-ZDUSSCGKSA-N 357.413 -0.469 30 10 FBEE C#CC[C@@H]1CCCN(C(=O)C(=O)N(CC#C)[C@@H]2CCS(=O)(=O)C2)C1 1261583116 OFIVJCWTWUQSOF-HUUCEWRRSA-N 350.440 -0.103 30 10 FBEE Cn1cc([C@@H]2CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]2NCC#N)cn1 1264502647 OOBNQSHPZULUHA-QWHCGFSZSA-N 368.463 -0.845 30 10 FBEE C#CCO[C@H](C)C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1280556295 QPJMMQUZLFVSLK-TUVASFSCSA-N 350.415 -0.328 30 10 FBEE C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)CNC(=O)CN1CCCCC1=O 1281274629 UUXRZNOCLUBKBY-KFWWJZLASA-N 367.446 -0.475 30 10 FBEE C=CCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1OC 1281823114 FJFPPFSQHCHFET-MGPQQGTHSA-N 362.434 -0.066 30 10 FBEE C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C[C@H]1OC 1281835614 VXVKGQJEKRNBTG-RRFJBIMHSA-N 353.419 -0.717 30 10 FBEE C=C[C@](C)(CCOC)C(=O)N1C[C@H](O)[C@H](NC(=O)CCn2cncn2)C1 1281866745 LZJQIGZVIKLQRL-JKIFEVAISA-N 365.434 -0.415 30 10 FBEE C=C[C@@H](CC)CC(=O)N[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@@H]1O 1281923596 NBECNTKEMMZXBW-XQQFMLRXSA-N 361.464 -0.784 30 10 FBEE C=CCCOCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C(C)C)C1 1281923911 RBORUXXBLCCYOX-ILXRZTDVSA-N 367.446 -0.334 30 10 FBEE C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1OCC 1282183000 MKBXARWUDQWGRX-MGPQQGTHSA-N 352.435 -0.044 30 10 FBEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N(C)C)CC1 1286480737 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361.320 -0.446 30 10 FBEE N#C[C@]12CN(CC(=O)NC(=O)NC3CCCC3)C[C@H]1CS(=O)(=O)C2 1473851095 WWZHAOAPOUPCKH-XHDPSFHLSA-N 354.432 -0.375 30 10 FBEE CCNC(=O)C1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCC1 1478561705 VYXFJCRHJRPWDL-BLLLJJGKSA-N 368.459 -0.127 30 10 FBEE C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cnc(O)n1C 1488437925 NSSCELJNDILMLY-BZPMIXESSA-N 366.418 -0.392 30 10 FBEE C=CCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCNC(=O)COC)C2)CCC1 1489357650 UXHPMLNWCLTCPK-ZIAGYGMSSA-N 367.446 -0.427 30 10 FBEE C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@H]1C 1489447267 NKWNYXIMQSJYNZ-PBFPGSCMSA-N 365.434 -0.172 30 10 FBEE C=CCCO[C@H](C)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](OC)C1 1489540927 ASSMLFHBWXSRJE-MRVWCRGKSA-N 364.402 -0.293 30 10 FBEE CCO[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1CNC(=O)C#CC(C)C 1489927423 YUQCYZYORDZRTM-ZIAGYGMSSA-N 358.460 -0.330 30 10 FBEE C=CCOCC(=O)N1C[C@H]2CCN(C(=O)CS(=O)(=O)NC)C[C@H]2C1 1490034323 SVISHGURFLBVJE-OLZOCXBDSA-N 359.448 -0.955 30 10 FBEE C#CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2nnn(C)n2)CCOCC1 1490682844 BOAXCFNPDGWRDY-RDBSUJKOSA-N 372.429 -0.108 30 10 FBEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCOCC2)C1 1512867926 XMRJUPHFIFTWQG-BZUAXINKSA-N 367.446 -0.428 30 10 FBEE CO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)CO[C@@H]1CCOC1 1513372809 RUXQGKRSAGYFLI-RBSFLKMASA-N 362.386 -0.353 30 10 FBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1OC 1513382102 WKYNPPSLTXALRW-CFAJVAMVSA-N 367.446 -0.164 30 10 FBEE CC(C)(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@@H]1O 1513512416 RLJVGLHBQVBHNI-AGIUHOORSA-N 356.444 -0.699 30 10 FBEE C=CCCOCC(=O)N[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@@H]1O 1513543538 JFPFSSJDUCBHDO-OLZOCXBDSA-N 355.435 -0.571 30 10 FBEE CCCCCS(=O)(=O)CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 1513566124 CYPWKZFDJWTRJQ-CABCVRRESA-N 370.471 -0.307 30 10 FBEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCCC(=O)N(C)C)C1 1513576742 ZENJYWRHSKMDAR-KBXIAJHMSA-N 367.446 -0.476 30 10 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C#CCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CN(CC)CCO1 1574258610 XQJGKOHEOCMJMS-QZWWFDLISA-N 363.458 -0.005 30 10 FBEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)c1 1653478135 VDDOETCEYCHKFF-GOSISDBHSA-N 369.381 -0.010 30 10 FBEE C#CCNC(=O)[C@@H](C)N(CC)CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1663407163 QRBXDFQNZSQESC-FXUDXRNXSA-N 351.447 -0.386 30 10 FBEE C=CCOCC(=O)N[C@@H]1CN(C(=O)C[C@@H](C)c2cnn(C)c2)C[C@H]1O 1682376466 PNSALGCIHUBRAW-BPLDGKMQSA-N 350.419 -0.196 30 10 FBEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O 1682440196 CSFFGRJHVFLRMW-RBSFLKMASA-N 363.418 -0.958 30 10 FBEE C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cccc3nc[nH]c23)C[C@H]1O 1682444526 NGGJUKMMZRFQLI-NILFDRSVSA-N 356.382 -0.097 30 10 FBEE C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCNC(=O)CN1C(=O)CN(C)C1=O 1688380463 FGPQJCUPJUVUKP-NEPJUHHUSA-N 352.391 -0.954 30 10 FBEE C=CCOCC(=O)N1CC(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1688623007 OWJJBVGXXLZROY-NEPJUHHUSA-N 352.309 -0.138 30 10 FBEE 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N#CCNC(=O)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 1688983155 UYUUPRUVPPGZFK-BFHYXJOUSA-N 370.475 -0.532 30 10 FBEE COCC#CCNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 1691372610 LKEZHQHXSJGDFJ-RDBSUJKOSA-N 350.419 -0.549 30 10 FBEE C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]2C1 1692291328 BXWYEGDOSAPOJT-GUTXKFCHSA-N 371.441 -0.355 30 10 FBEE C#CCOCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2snnc2C2CC2)C1 1702186236 UCLNVJHOIKFKNH-VXGBXAGGSA-N 364.427 -0.243 30 10 FBEE C=CCCOCC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1C 1702260389 YXLTXQGTKWYDKJ-FRRDWIJNSA-N 351.403 -0.405 30 10 FBEE CCn1nc(C(=O)N[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2OC)ccc1=O 1702322576 ZZQQHJPBEHVWPB-HUUCEWRRSA-N 360.414 -0.122 30 10 FBEE Cn1cc([C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2NC(=O)C#CC2CC2)cn1 1702561078 JDAOAISBUSNGFE-UONOGXRCSA-N 353.386 -0.324 30 10 FBEE CCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1709153065 BVWQSZYMOHHERU-LBPRGKRZSA-N 369.447 -0.491 30 10 FBEE 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C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C1 1735924184 NGGTUKMOANKOTJ-DFBGVHRSSA-N 371.397 -0.394 30 10 FBEE C#Cc1ccc(C(=O)NC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C2CC2)nc1 1737398221 FKZRLPKXBSDQST-OWCLPIDISA-N 370.409 -0.280 30 10 FBEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CNS(=O)(=O)CC 1738719465 QMMBNESCKGKFCI-UPJWGTAASA-N 359.448 -0.766 30 10 FBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)CN(C)C(=O)Cn1cccn1 1739023589 IFABCTAJGRBRTE-DZKIICNBSA-N 350.419 -0.200 30 10 FBEE C=CCCC(=O)N[C@@H]1CN(C(=O)C2CC3(C2)CS(=O)(=O)C3)C[C@H]1O 1739405729 CSZCTHFOGPRTHH-CHWSQXEVSA-N 356.444 -0.535 30 10 FBEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@](C)(C(N)=O)C1 1760521722 BNJKITLORJHFEE-PXAZEXFGSA-N 362.434 -0.214 30 10 FBEE CC(=O)N[C@@H]1/C(=N/O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1775963095 QHLGKFLFCWDLOA-PAOXNISFSA-N 360.319 -0.896 30 10 FBEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3cnnn3C)C(=O)C2)C1 1854979977 QGBPJUNNRFBMEU-ZIAGYGMSSA-N 359.434 -0.134 30 10 FBEE C=CCN(CC=C)C[C@@H]1CC(=O)N(C(=O)C2CN(S(C)(=O)=O)C2)C1 1856231326 MHXLUPKSDLDLCU-ZDUSSCGKSA-N 355.460 -0.073 30 10 FBEE N#C[C@@H]1CN(C(=O)NCC(=O)NCC(=O)O)CCN1Cc1ccccc1 1914714320 QLLKRTQRPROUEL-CQSZACIVSA-N 359.386 -0.393 30 10 FBEE C=C(CN1C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1)C(=O)OCC 2044357526 DEQCDCQAUYUCQC-NXEZZACHSA-N 351.325 -0.040 30 10 FBEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@@H](C#N)C2)CCS(=O)(=O)C1 2060779466 LJRJVWQGLHOWDD-XHDPSFHLSA-N 373.431 -0.181 30 10 FBEE C#CCN(CC(=O)O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2086861480 SWOVCJKYBXPZNR-ZDUSSCGKSA-N 369.333 -0.388 30 10 FBEE CN(CCN(C)S(C)(=O)=O)C[C@@](N)(C#N)C1(Br)CC1 2141692464 DXGLQVPDRJSNOH-NSHDSACASA-N 353.286 -0.042 30 10 FBEE CC1(C)OB(c2cccc(C(=O)N3C[C@H](O)[C@@H](O)[C@H]3CO)c2)OC1(C)C 2201031767 BLPIISLAZLFKHZ-ILXRZTDVSA-N 363.219 -0.476 30 10 FBEE Cn1cc(C(=O)N[C@@H]2COC[C@H]2CN)c(B2OC(C)(C)C(C)(C)O2)n1 2267124107 HKMJMYRRKWMSLS-ZYHUDNBSSA-N 350.228 -0.577 30 10 FBEE 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Cn1nc(C(=O)N2CCO[C@@H](CCN)C2)cc1B1OC(C)(C)C(C)(C)O1 2281958888 JHEXBTTXNLWZST-LBPRGKRZSA-N 364.255 -0.091 30 10 FBEE Cn1cc(C(=O)N[C@@H]2CCO[C@@H](CN)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2281961306 LAJOUTCXNIOBRC-VXGBXAGGSA-N 364.255 -0.045 30 10 FBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCOC[C@H]1CCO 2282182712 WKVZPFRPFUAQOQ-LLVKDONJSA-N 366.227 -0.662 30 10 FBEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2CC(O)C[C@@H]2C1 2282191130 LRPHWXKHGQGJKG-GHMZBOCLSA-N 362.239 -0.043 30 10 FBEE CC1(C)OB(c2cnc(C(=O)N3CC[C@H](OCCN)C3)nc2)OC1(C)C 2282625696 YTCWDANBBVNDOA-ZDUSSCGKSA-N 362.239 -0.034 30 10 FBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](O)[C@](C)(O)C2)n1 2282656721 UQGWPXAEGYIGPL-QLJPJBMISA-N 366.227 -0.928 30 10 FBEE CO[C@H]1C[C@H](CN)N(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283055415 GQUQSZKCGXRKKS-NEPJUHHUSA-N 362.239 -0.036 30 10 FBEE CC1(C)OB(c2ccc(C(=O)NC(C(=O)O)C(=O)O)c(O)c2)OC1(C)C 2284457873 ZUNARZILFOXDPS-UHFFFAOYSA-N 365.147 -0.041 30 10 FBEE 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264796643 YRTMQYFVMDHBMJ-CYBMUJFWSA-N 350.400 -0.426 30 10 FBEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(N)=O)C(=O)C2)cc1Cl 416550489 ROGNEKBKFOJISU-UHFFFAOYSA-N 356.791 -0.470 30 10 FBEE C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCc3c[nH]nc32)CC1 480804630 MFTWFDQUMMGIGY-CQSZACIVSA-N 374.445 -0.650 30 10 FBEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)co2)CC1 513797205 HHHYQIWYGJZEKI-UHFFFAOYSA-N 371.415 -0.325 30 10 FBEE C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CC(C)(CO)C2)cc1 568255794 CZWKVYQUVCGUHR-NSHDSACASA-N 373.456 -0.120 30 10 FBEE C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 568333218 PFDUIQXDKNUCOZ-AAEUAGOBSA-N 364.427 -0.051 30 10 FBEE CNC(=O)CS(=O)(=O)C1CN(S(=O)(=O)c2ccc(C#N)cc2)C1 585323520 OFJJJSNYUGOFAH-UHFFFAOYSA-N 357.413 -0.908 30 10 FBEE N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CC2(CCCOC2)C1 594638993 BAPOLRGDBGNYHX-UHFFFAOYSA-N 365.477 -0.348 30 10 FBEE C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CCN1S(C)(=O)=O 595167447 BBGVHEWZRSSNQT-LLVKDONJSA-N 350.400 -0.011 30 10 FBEE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCC1(C#N)CCCCC1 597365376 ITMZOTRMVBRUCK-NEPJUHHUSA-N 357.432 -0.495 30 10 FBEE CCN1CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1=O 619825323 MJUZFTNZTCXABF-BXUZGUMPSA-N 364.427 -0.038 30 10 FBEE C=CCOCCCNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 658556251 VROWIKXTUXZJTD-MRXNPFEDSA-N 352.479 -0.066 30 10 FBEE C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)CC1 668836395 XYTCSCXLHDNGGT-OAHLLOKOSA-N 365.478 -0.033 30 10 FBEE C#CCNC(=O)CN1CCN(C(=O)c2cnc3c(C)cccn3c2=O)CC1 773329458 RLUFWOSFMFSWSS-UHFFFAOYSA-N 367.409 -0.490 30 10 FBEE C=CCn1c(=O)n(CC=C)c(=O)n(CN(CC)Cc2cn(C)nn2)c1=O 781582435 WLYCMUJSVLYNEL-UHFFFAOYSA-N 361.406 -0.848 30 10 FBEE C#C[C@@H]1COCCN1C(=O)C(=O)Nc1cc(S(=O)(=O)NC)ccc1C 839596086 KDNCHZRBTCUCCK-GFCCVEGCSA-N 365.411 -0.298 30 10 FBEE C=CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC(C(=O)OC)=NO3)C2)C1 1118950277 PBMNRVAHXWIQAQ-YVEFUNNKSA-N 365.386 -0.290 30 10 FBEE N#C[C@]12CN(C(=O)c3ncc(C(N)=O)cc3Cl)C[C@H]1CS(=O)(=O)C2 1134645159 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C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O 543815921 OMVYBWPINRQAMQ-NSHDSACASA-N 355.416 -0.339 30 10 FBEE N#CCC(=O)N1CCN(CC#CCN2CCN(C(=O)CC#N)CC2)CC1 578664271 HZGDQKABAJLROB-UHFFFAOYSA-N 356.430 -0.894 30 10 FBEE CN1CC(CN(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 595152614 OWEMGRQTGSBMND-UHFFFAOYSA-N 367.413 0.157 30 10 FBEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2COCCC2=O)cc1 628866740 HVOBCDFVEVCTCK-ZDUSSCGKSA-N 351.384 -0.034 30 10 FBEE C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 737873589 XRASYLYVKTZQLQ-SNVBAGLBSA-N 371.440 -0.629 30 10 FBEE C#C[C@@H](NC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)OC)C1)[C@H]1CCCO1 809312181 LVQFMFVSXPDINQ-HNSFDTNUSA-N 364.398 -0.679 30 10 FBEE O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N[C@H]1CCN(O)C1=O 816694147 ZJMPAXBLWFUBNJ-ZDUSSCGKSA-N 358.354 -0.835 30 10 FBEE C#CCN1CCN(C(=O)CN2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)CC1 880016391 OIJVBILBQQNGGT-CALCHBBNSA-N 353.488 -0.480 30 10 FBEE C=CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCCOC3)[C@H](OC)C2)nn1 941351865 JPFQEPRQPGYMCX-UMVBOHGHSA-N 363.418 -0.154 30 10 FBEE C#CCN(C(=O)C(=O)NCCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1117468330 RLWQKDARNMVNIW-AWEZNQCLSA-N 358.460 -0.043 30 10 FBEE C=C[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 1118902251 IQRYIXZFDPFZAB-HNNXBMFYSA-N 363.462 -0.277 30 10 FBEE C[C@@H](CC(=O)N[C@H]1CCCNC1=O)/N=C1/NS(=O)(=O)c2ccccc21 1158784733 QCCIBPBGTYCEGO-JQWIXIFHSA-N 364.427 -0.102 30 10 FBEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1175515280 VLPRPTKRJQDZHW-UHFFFAOYSA-N 352.372 -0.180 30 10 FBEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1C[C@H](O)[C@H](O)C1 1178285920 DOXCKDUFOIOLFN-VMXABPDPSA-N 353.400 -0.775 30 10 FBEE C#CCN(C(=O)C(=O)NCCOC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1257319475 LSJNWNWCVNYVMM-CYBMUJFWSA-N 356.444 -0.289 30 10 FBEE N#CCSCC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CCCCC(=O)N2)C[C@H]1O 1281640764 QLRIVRANGYPOQX-YNEHKIRRSA-N 368.459 -0.620 30 10 FBEE C#CCCCC(=O)N[C@@H]1CN(C(=O)COC[C@H](C)N2CCCC2)C[C@H]1O 1281658890 JKKPLQFFMSVPJL-GVDBMIGSSA-N 365.474 -0.021 30 10 FBEE C#CCOCCC(=O)N1C[C@@H](NC(=O)[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 1281770553 VPKUHVSRZXFTDV-HZSPNIEDSA-N 358.460 -0.330 30 10 FBEE C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)C[C@H](C)SC)C2)nn1 1281881675 XKVYMBNYJGNLAM-LOWVWBTDSA-N 353.448 -0.093 30 10 FBEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(C(=O)c2cc(C)on2)C[C@@H]1O 1281887066 OUVKLTMPTWDYIN-CFVMTHIKSA-N 364.402 -0.245 30 10 FBEE C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccc(C(N)=O)c2)C1 1281907406 XPUIDVLLJONFKQ-GLQYFDAESA-N 361.398 -0.322 30 10 FBEE C[C@]12CN(C(=O)CSCC#N)C[C@H]1CN(C(=O)[C@@H]1COCCO1)C2 1282429651 HSUHIVNZEWMBDA-HEHGZKQESA-N 353.444 -0.035 30 10 FBEE C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](CC)NC(C)=O 1282795852 OWRXYESQAZCQPD-BARDWOONSA-N 362.430 -0.711 30 10 FBEE C=CCn1cc(C(=O)N[C@H](C)CN(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)nn1 1287721896 NFVYMSMIJIWQJC-KGYLQXTDSA-N 364.406 -0.926 30 10 FBEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(C)(=O)=O 1288099464 CCGUTGZXROZGSA-AWEZNQCLSA-N 372.426 -0.097 30 10 FBEE C#CCCCC(=O)N[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1OC 1289471289 KIIOLWOMRBXXDD-YNEHKIRRSA-N 359.448 -0.930 30 10 FBEE C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)CN(C)C(=O)COC)C[C@H]1C 1290914095 UQDPHARLCHEOJX-QLFBSQMISA-N 367.446 -0.660 30 10 FBEE C=CCOCC(=O)N1C[C@@H](C)[C@H](CNC(=O)[C@H](C)N2C(=O)CCC2=O)C1 1290928080 GXROWGFBUFUUGU-HZSPNIEDSA-N 365.430 -0.063 30 10 FBEE C#CCOCCC(=O)N1C[C@@H](C)[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 1290996781 AMPGMGVFCIUGNS-ZIAGYGMSSA-N 360.414 -0.356 30 10 FBEE C=CCOCCNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 1330167132 OLHBFKBKANJFGZ-UHFFFAOYSA-N 366.418 -0.324 30 10 FBEE C#C[C@H](NC(=O)C(=O)N1C[C@@]2(C)CS(=O)(=O)C[C@@]2(C)C1)[C@H]1CCCO1 1331366649 GUHPRKGENRQVOC-UWWPHRKUSA-N 368.455 -0.433 30 10 FBEE C=CCn1c(-c2cn(C)nn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1338001872 HSMBYVDEDCOPEM-UHFFFAOYSA-N 353.390 -0.084 30 10 FBEE C=CCOCC(=O)N1C[C@@H](NC(=O)c2cn3cccnc3n2)[C@H](OC)C1 1342996800 FGVHPQHSMCDNAZ-TZMCWYRMSA-N 359.386 -0.113 30 10 FBEE C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)CCn1cnnn1 1346231746 NIXKRIYTILTNHA-VXGBXAGGSA-N 356.390 -0.213 30 10 FBEE C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1352717171 JKYYWNOTXLPJKJ-CHWSQXEVSA-N 351.403 -0.027 30 10 FBEE CCO[C@@H]1CN(C(=O)c2snnc2C)C[C@H]1CNCC(=O)NCC#N 1479529542 IXBIYODBKFNQJR-VXGBXAGGSA-N 366.447 -0.447 30 10 FBEE C#Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2C[C@H]2c2cncn2C)nc1 1488053012 BYLAYYQCJWZLRJ-RRFJBIMHSA-N 367.409 -0.193 30 10 FBEE C#CCOCCC(=O)N1C[C@@H]2CCN(C(=O)CO[C@H]3CCOC3)[C@@H]2C1 1489237199 DSJYVEFSLAWXHF-HRCADAONSA-N 350.415 -0.109 30 10 FBEE C=CCCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cn2nccc2C)C[C@@H]1O 1489561541 BIOHBHMWGVIXIB-KFWWJZLASA-N 350.419 -0.139 30 10 FBEE C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nn(C)c2Cl)C[C@@H]1O 1489579132 GAJMLSAKSAYUHU-TUAOUCFPSA-N 368.821 -0.278 30 10 FBEE C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2c(C)nn(C)c2Cl)C[C@@H]1O 1489579137 GAJMLSAKSAYUHU-UTUOFQBUSA-N 368.821 -0.278 30 10 FBEE C#CCO[C@H](C)C(=O)N1CC[C@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H]1C 1490107041 ZNAVLVDQZGDQME-BZPMIXESSA-N 358.398 -0.062 30 10 FBEE C[C@@H]1[C@@H](NC(=O)Cn2ccc(O)nc2=O)CCN1C(=O)CSCC#N 1490108381 PMFBNWMZSPLIQV-MNOVXSKESA-N 365.415 -0.689 30 10 FBEE C[C@@H]1[C@@H](NC(=O)COCc2nncn2C)CCN1C(=O)c1c[nH]c(C#N)c1 1490127095 QLRWXVOVBANCNI-RISCZKNCSA-N 371.401 -0.049 30 10 FBEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@](C)(CNC(=O)CNC(=O)NC)C1 1490529152 OVVLGIWKTVEPLG-IIYDPXPESA-N 368.434 -0.760 30 10 FBEE NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC3(CC2)C[C@H]3NC(=O)C#CC2CC2)O1 1493407877 ZZMMMZQMTHIUIJ-RRFJBIMHSA-N 359.426 -0.070 30 10 FBEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCOCC1 1508141779 OJJRLZSBBJCVKP-GFCCVEGCSA-N 369.447 -0.333 30 10 FBEE C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)CCc2ccc(C(N)=O)cc2)C[C@@H]1O 1513650878 VRUXNYKVCVPCCM-GLQYFDAESA-N 358.398 -0.434 30 10 FBEE C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCNC1=O 1522139228 KDXHCNUXZYDNPA-COJSNBRMSA-N 364.446 -0.023 30 10 FBEE C#CCNC(=O)CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 1527231468 LPDJJSHYDSPOBJ-SIIHOXLZSA-N 361.442 -0.094 30 10 FBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)CNC(=O)CN1CCOCC1=O 1532255562 RXOFPVVJTQSKJP-ZQIUZPCESA-N 367.446 -0.305 30 10 FBEE C=CCCOCC(=O)NC[C@@]1(C)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1537086224 AXNNBJHGIAFTFV-PMUMKWKESA-N 367.446 -0.033 30 10 FBEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1539174453 DQXWCMFUYOAHRP-ZDUSSCGKSA-N 360.418 -0.453 30 10 FBEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1540853839 REGCMZMZJZPASU-TUAOUCFPSA-N 368.463 -0.211 30 10 FBEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1540898876 XULHGHYSCJTSQY-OLZOCXBDSA-N 353.448 -0.098 30 10 FBEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N1CCC(C(N)=O)CC1 1567054413 RBSNRMSYSOMVNS-YUELXQCFSA-N 366.462 -0.604 30 10 FBEE C#CCNC(=O)CN1CCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1 1568701421 QBOFRGOCHPPOHM-UHFFFAOYSA-N 367.409 -0.710 30 10 FBEE C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)C2CCN(CC(F)F)CC2)C[C@H]1O 1572850370 HHEJUZQQIBYPNV-CYZMBNFOSA-N 358.389 -0.189 30 10 FBEE C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2ccnc3[nH]cnc23)C[C@@H]1O 1572995522 LJFDRLJAURRMMP-OLZOCXBDSA-N 357.370 -0.701 30 10 FBEE C=CC(C)(C)CC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 1573003013 FIMHMPVAGMTMQQ-UPJWGTAASA-N 365.430 -0.186 30 10 FBEE C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)CS(=O)(=O)C(C)C)[C@H]1C 1573499250 XYSMNSZQFNECKY-OLZOCXBDSA-N 371.459 -0.945 30 10 FBEE CS(=O)(=O)NCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CSCC#N 1574176225 JVNJWEQXHNDFEE-WOPDTQHZSA-N 374.488 -0.569 30 10 FBEE C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCN(C)C(=O)c1nccnc1C(N)=O 1582946839 ABIMRCSVIMGIIL-NEPJUHHUSA-N 361.402 -0.303 30 10 FBEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(O)nc(C3CC3)n2)C1=O 1637976384 KGKFBDASIVDEDU-UHFFFAOYSA-N 359.342 -0.347 30 10 FBEE COC(=O)CCN(CC#N)C(=O)Cn1cc(Br)c(O)nc1=O 1642946262 FTILKDDMENZHAA-UHFFFAOYSA-N 373.163 -0.373 30 10 FBEE 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)COCc2ncnn2C)C1 1745869839 OJLBYRYVRFYREU-BBRMVZONSA-N 363.418 -0.360 30 10 FBEE C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 1757606035 ZAAJHRSDHSJQOR-QFSBIZTOSA-N 366.418 -0.924 30 10 FBEE C#CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CCN(C(=O)[C@@H](C)C#N)CC1 1759990522 WHGUWTCAUQZXRA-AEGPPILISA-N 360.414 -0.368 30 10 FBEE C=CCCN1CC[C@H](N2CCN(C(=O)Cn3cnc(C)cc3=O)C(=O)C2)C1 1854408231 FGMVJCZBXFXCNZ-INIZCTEOSA-N 373.457 -0.127 30 10 FBEE C=CCN(CCO)C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 1899548428 NACSAILCFJKWDJ-LLVKDONJSA-N 350.437 -0.069 30 10 FBEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)N[C@@H](CS)C(=O)O 2009985379 SLCWZKYCAUWZRF-QMMMGPOBSA-N 359.408 -0.047 30 10 FBEE C=C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)O 2020909763 UTQNUZUKKSSYOF-UWVGGRQHSA-N 362.404 -0.224 30 10 FBEE CN1CCN(C(=O)[C@@H]2CNC(=O)CN2C(=O)OC(C)(C)C)[C@H](C#N)C1 2060816852 WWWHPHXNZQOEBX-NEPJUHHUSA-N 351.407 -0.612 30 10 FBEE CC(C)(C)OC(=O)NCCc1nc(NS(=O)(=O)N2CC(C#N)C2)n[nH]1 2063194406 AYSBRLPQWBMFRP-UHFFFAOYSA-N 371.423 -0.016 30 10 FBEE C#CCNC(=O)CCNC(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 2068344005 TXERIKDTGZLHMH-STQMWFEESA-N 351.403 -0.174 30 10 FBEE CN(CCC#N)C(=O)CN1C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2117932185 XVLAMHWPIXCVHC-NXEZZACHSA-N 363.340 -0.787 30 10 FBEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)NCC#CCCO)C1 2213554405 JDJZZGTUSNGLQR-LBPRGKRZSA-N 360.432 -0.478 30 10 FBEE CC1(C)OB(C#CC(=O)N2CCN[C@@H]3CS(=O)(=O)C[C@H]32)OC1(C)C 2255598764 QZUHLUHCZVQOMC-VXGBXAGGSA-N 354.237 -0.781 30 10 FBEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CNC[C@@H]2O)OC1(C)C 2255750124 FQLXECAJGHBSJD-MNOVXSKESA-N 374.293 -0.342 30 10 FBEE Cc1nc(S(=O)(=O)N2CCCN2)c(B2OC(C)(C)C(C)(C)O2)n1C 2255799919 OLKPMJWNPYMTCM-UHFFFAOYSA-N 356.257 -0.073 30 10 FBEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H]1CO 2255947410 APMODASHDBXEGV-JTQLQIEISA-N 357.241 -0.525 30 10 FBEE CC1(C)OB(c2cccc(S(=O)(=O)NC[C@@H](N)CO)c2)OC1(C)C 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COCCOCCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2282183993 NAWPVUNERUSPLM-UHFFFAOYSA-N 368.243 -0.151 30 10 FBEE Cn1cc(C(=O)NC[C@@H]2CCC(=O)NC2)nc1B1OC(C)(C)C(C)(C)O1 2282545792 XNKPXHGMPIQRRV-LLVKDONJSA-N 362.239 -0.025 30 10 FBEE CC1(C)OB(c2ccc(C(=O)NC(CO)(CO)CO)c(O)c2)OC1(C)C 2282878023 ZZEZRAHHXXFIKF-UHFFFAOYSA-N 367.207 -0.863 30 10 FBEE Cn1cc(C(=O)N2C[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)nc1B1OC(C)(C)C(C)(C)O1 2359268244 BFXVGDMSRCWPEB-XYJRDEOASA-N 363.223 -0.715 30 10 FBEE COC[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2359279529 NMCOYNOMSOYTPB-RWMBFGLXSA-N 367.207 -0.229 30 10 FBEE COC1(CCNC(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)CNC1 2362465153 OBKBMCRLACULBE-UHFFFAOYSA-N 364.255 -0.172 30 10 FBEE CC1(C)OB(c2ccc(N(CC(N)=O)CC(N)=O)c(C#N)c2)OC1(C)C 2364950202 DVSILACPLHACTR-UHFFFAOYSA-N 358.207 -0.366 30 10 FBEE C/N=C(/NCCNC(=O)c1cnccn1)N1CCS(=O)(=O)C(C)(C)C1 261951169 HMMFKCARXHFBDX-UHFFFAOYSA-N 368.463 -0.709 30 10 FBEE O=S1(=O)CCCN1CC/N=C(/O)N1CCN(c2cccnn2)CC1 328788336 KANUUYIWYJOUGT-UHFFFAOYSA-N 354.436 -0.452 30 10 FBEE C[C@]1(O)C[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)C1 581499957 YJGWPMWOTAKMLI-GSJFWJNXSA-N 359.429 -0.320 30 10 FBEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCNC(=O)CC2)cc1 592806003 FZZNCXFRBUKKME-GFCCVEGCSA-N 350.400 -0.379 30 10 FBEE C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 595134106 DDQIUZOEWKRJBS-SFHVURJKSA-N 370.413 -0.409 30 10 FBEE C=C(C)[C@H]1OCC[C@H]1C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 785282686 WJPXVNHPUXSORW-DGCLKSJQSA-N 362.386 -0.042 30 10 FBEE C#CCN(CC(=O)N1CCC[C@H]1CCO)CC(=O)N1CCC[C@H]1CCO 822154066 CKXBHSYREIEFOS-IRXDYDNUSA-N 365.474 -0.332 30 10 FBEE C#CCC1(O)CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 882520662 DFVNMKSFCDWVPX-UHFFFAOYSA-N 356.382 -0.377 30 10 FBEE COC(=O)CCCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 1116967605 ZOURBZTUXCXULH-UHFFFAOYSA-N 359.386 -0.329 30 10 FBEE CC1(C)CC[C@H](CNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)O1 1117318206 OLJZFRTWIKJZHT-CLMBFONXSA-N 364.402 -0.297 30 10 FBEE C=CCn1cc(CNC(=O)C(=O)N2CCO[C@]3(CCSC3)C2)nn1 1118228036 RXNKTXYUGGYBHT-OAHLLOKOSA-N 351.432 -0.185 30 10 FBEE C#CCN(C(=O)C(=O)N[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1259995454 RHIJAZKKEXMFLD-CRWXNKLISA-N 356.444 -0.293 30 10 FBEE C#C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)C1 1261563911 SHAXZEXHWIULGP-FHSNZYRGSA-N 360.414 -0.305 30 10 FBEE C=CCn1c([C@@H]2CCS(=O)(=O)N2)nnc1N1CCO[C@]2(CCOC2)C1 1262944628 TWZCZQODMDGWPB-SWLSCSKDSA-N 369.447 -0.176 30 10 FBEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(O)(CNCC(=O)N(C)C)CC1 1274565153 IJAZBCWBGJHALN-HOCLYGCPSA-N 353.463 -0.001 30 10 FBEE C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccc(O)nn2)C[C@H]1O 1281645962 HDKKAMBMGCZBFU-CYZMBNFOSA-N 350.375 -0.535 30 10 FBEE C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1C 1281747828 ZNNJFWUPULSXME-MGPQQGTHSA-N 362.434 -0.209 30 10 FBEE C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2ccc3ncn(C)c3n2)C[C@@H]1O 1281886302 ATGRLKULASTOGL-CABCVRRESA-N 371.397 -0.690 30 10 FBEE 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CO[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@H]1NC(=O)C#CC(C)(C)C 1739569545 FHDBRGGTNCYOBF-VXGBXAGGSA-N 350.419 -0.421 30 10 FBEE C#CCN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CCN(C(=O)Cc2ccn(C)n2)CC1 1739632087 NDDPKPHMTWTGAL-CVEARBPZSA-N 371.441 -0.463 30 10 FBEE N#CCSCC(=O)NC[C@]12CCC[C@H]1N(C(=O)Cn1ncnn1)CC2 1740239033 DRPUKRCMCDMUHS-IUODEOHRSA-N 363.447 -0.183 30 10 FBEE Cc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1742771432 RBZUIRJYTZEPPM-GTVMRRANSA-N 373.417 -0.220 30 10 FBEE C=CCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 1757744849 ZMDBCELGPYFGGB-RDBSUJKOSA-N 363.414 -0.120 30 10 FBEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNC(=O)Cc1ccn(CC)n1 1759606510 QUDMGICYAGKRPM-ZNMIVQPWSA-N 350.419 -0.370 30 10 FBEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@](O)(CO)[C@H](O)C2)C1 2218682703 MQVGYKOEXXYCOA-PXAZEXFGSA-N 356.419 -0.084 30 10 FBEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC(NC)(C(N)=O)C2)C1 2255146572 SSBPYQXJSXUUMA-UHFFFAOYSA-N 350.419 -0.421 30 10 FBEE 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