smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCC[C@@H](C)NCc1ccc(C#N)cc1 35141429 OSPOERPILHKZNU-CYBMUJFWSA-N 230.355 3.617 30 20 BHED C=C(C)CN(C)[C@@H](C)c1cc(F)ccc1F 52074969 NTMCNUPRJBMFNP-JTQLQIEISA-N 225.282 3.534 30 20 BHED C[C@@H](CC1CC1)N[C@H](CCC#N)c1ccccc1 90666045 MLMUNOIVFGSMAA-XJKSGUPXSA-N 242.366 3.810 30 20 BHED CC(C)(C)[C@@H]1CCCC[C@H]1NCCCCC#N 108367301 ASUCJPQVSSRFDM-ZIAGYGMSSA-N 236.403 3.875 30 20 BHED Cc1cc(C)cc(/C=C/C(=O)c2ccco2)c1 130871623 JOFGHAGKMJABCT-AATRIKPKSA-N 226.275 3.793 30 20 BHED C=C[C@H](C)N[C@H](CCC)c1ccccc1 157216533 RCMWTAIQOSMYOF-GXTWGEPZSA-N 203.329 3.692 30 20 BHED CC(C)CC[S@](=O)CCCCC(C)(C)C#N 232602953 NKOBEJHMQVTCDH-MRXNPFEDSA-N 243.416 3.501 30 20 BHED C=C(C)CON=C(C)c1cc2ccccc2o1 255495367 IBVWOBHTZGRXDT-UHFFFAOYSA-N 229.279 3.750 30 20 BHED Cc1ccc(OCc2ccc(F)cc2C#N)cc1 260800025 LOVRGOXYDAVPBT-UHFFFAOYSA-N 241.265 3.585 30 20 BHED Cc1ccc(OCc2ccc(C#N)c(C)c2)cc1 260873676 YIIMRNKRYHTUPB-UHFFFAOYSA-N 237.302 3.754 30 20 BHED Cc1cnccc1S[C@H](C#N)C1CCCCC1 292785130 MYDMFBBVJLOZJK-CQSZACIVSA-N 246.379 3.955 30 20 BHED C=CCCCNc1ccc(C)cc1OCC 303948241 ZMNAUJKGIBJLRU-UHFFFAOYSA-N 219.328 3.772 30 20 BHED C[C@H]1CCCC[C@]1(C)NCc1cc(C#N)cs1 308722957 QXGKCCYASDAVRN-FZMZJTMJSA-N 248.395 3.678 30 20 BHED C=CC[C@H](C)[C@@H](C)NCc1cscc1C 309010920 RWAUBOLETMPXRC-CMPLNLGQSA-N 223.385 3.747 30 20 BHED CC[C@@H]1CC[C@H](C)N1Cc1ccc(CC#N)cc1 343707318 HSAOHUMNRNAACI-XJKSGUPXSA-N 242.366 3.516 30 20 BHED C=C(CC)CN[C@H](C)c1cccc(C)c1C 381243948 NWBGYDJHXKJIJD-CQSZACIVSA-N 217.356 3.920 30 20 BHED C=CCC(C)(C)C(=O)Nc1cc(C)cc(C)c1 429927839 QRPACJOGIYNQGJ-UHFFFAOYSA-N 231.339 3.844 30 20 BHED C=CC[C@@H]1N(Cc2ccncc2)CCCC1(C)C 444778834 AHNOSKSCTRVRAP-HNNXBMFYSA-N 244.382 3.648 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)[C@H](OC)C1CC1 449635088 XGKCYSPNIUIZNW-YDHLFZDLSA-N 239.403 3.524 30 20 BHED C=CC(C)(C)C(=O)N[C@@H](C)c1c(C)cccc1C 450618439 UXXTWEBADDMZPC-ZDUSSCGKSA-N 245.366 3.693 30 20 BHED C=CCCCC(=O)N[C@@H]1CCCC[C@@H]1CCC 530882670 ROUMOOYEMJRWRJ-UONOGXRCSA-N 237.387 3.818 30 20 BHED CC(C)C[C@@H](C)CSc1cc(C#N)ccn1 540812658 BLVMJSYERMSNTD-LLVKDONJSA-N 234.368 3.728 30 20 BHED C=CCC[C@H](C)NCc1ccc([C@H]2C[C@H]2C)o1 543600136 BVLVQOFEGYDFSO-DYEKYZERSA-N 233.355 3.847 30 20 BHED C=CCCCCN[C@H](CC)c1nccs1 568183655 IRXVWKJPBYUOLB-LLVKDONJSA-N 224.373 3.540 30 20 BHED C=CCC1(C(=O)N(CC2CC2)C(C)C)CCCC1 574417095 UFKPPMZVRLEYIA-UHFFFAOYSA-N 249.398 3.770 30 20 BHED C[C@]12C[C@@H]1CCC[C@@H]2Nc1cccc(C#N)c1 619724908 VMSILJPBNULFLW-QEJZJMRPSA-N 226.323 3.549 30 20 BHED C=CCCC(C)(C)NCc1ccsc1C 657805889 WCJFLRPKQZKXOF-UHFFFAOYSA-N 223.385 3.891 30 20 BHED CC(=NNc1cc(C)ccc1C)C1CCC1 747630791 TUMUMFDUWRMGOV-UHFFFAOYSA-N 216.328 3.891 30 20 BHED CC(CCc1ccccc1)=NO[C@@H]1CCCCO1 755823936 ULWYGYLWOOATQV-OAHLLOKOSA-N 247.338 3.538 30 20 BHED C=CCCCCNC(=O)C1CCCCCCC1 770082263 NEGXAHDPGRUTBE-UHFFFAOYSA-N 237.387 3.819 30 20 BHED CC[C@@H]1CCCC1=NOCCC(F)(F)F 777461482 YHTDSTNLIVCLTG-MRVPVSSYSA-N 223.238 3.522 30 20 BHED C1CCC(NN=C2CCC[C@H](C3CC3)C2)CC1 786042159 LVABYIYBMOAHCZ-ZDUSSCGKSA-N 234.387 3.865 30 20 BHED C=CCCN(C)C(=O)N[C@H](C)CCCCCC 786104680 FYHQEDXNVHVWDM-CYBMUJFWSA-N 240.391 3.563 30 20 BHED C=C(CC)COC(=O)c1scc(C)c1Cl 791597059 BASJMQHEKMVKNM-UHFFFAOYSA-N 244.743 3.833 30 20 BHED CC(=NNc1ccccc1)c1cc(C)c(C)o1 799865033 CHFGEQHUJFZFLA-UHFFFAOYSA-N 228.295 3.733 30 20 BHED Cc1ccc(OC(=O)CCCCCC#N)cc1C 805847922 WGRJDYILAQZBON-UHFFFAOYSA-N 245.322 3.683 30 20 BHED C#CC[C@H](N[C@@H]1CC[C@H]1C1CC1)c1ccccc1 806147975 BQIUQPRUJLPFPM-YESZJQIVSA-N 239.362 3.529 30 20 BHED CCCC[C@H](C)C(C)=NNc1ccc(OC)cn1 807983404 LCGIJUSOXZFNDP-NSHDSACASA-N 249.358 3.704 30 20 BHED C=CCCCCCCCNCc1c(C)n[nH]c1C 810160418 HBIDXVDQRYWSDQ-UHFFFAOYSA-N 249.402 3.643 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H](C)CCCCC 814101307 RKDJKCAPFLJIBO-LBPRGKRZSA-N 225.376 3.674 30 20 BHED C/C(C=NOCC1CC1)=C\c1ccccc1 814243270 OAFPXJAWWICTAK-XONBKLNWSA-N 215.296 3.502 30 20 BHED CCCCCCCCC(=O)NC[C@@H]1C[C@@H]1C 915289781 GCSJRVSDUVFBFS-STQMWFEESA-N 225.376 3.509 30 20 BHED Cc1ccc(NN=Cc2sccc2C)cc1 916250491 IJMOQKFZNDQXDQ-UHFFFAOYSA-N 230.336 3.811 30 20 BHED Cc1ccccc1C=NNc1cccc(F)c1 920384427 VWEXVTRQHXEGJR-UHFFFAOYSA-N 228.270 3.580 30 20 BHED C=C(C)CCC(=O)N(C)[C@H](C)c1ccc(F)cc1 1120622540 MBEROBDZPIJCJC-GFCCVEGCSA-N 249.329 3.701 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)[C@@H](C)CC 1337679149 IZKZJVQAXKLVHM-MELADBBJSA-N 237.387 3.626 30 20 BHED CCC(C#N)(CC)C(=O)O[C@@H](C)CC(C)(C)C 1344514155 DARRTXFLSFVCDZ-NSHDSACASA-N 239.359 3.684 30 20 BHED CC(C)[C@@H]1CCCN(C[C@@H](C)CCC#N)CC1 1663618419 PFOVHKSMMCOXOZ-LSDHHAIUSA-N 236.403 3.684 30 20 BHED CCCCCCCCN[C@@H](C)[C@@H]1CCCO1 59090771 NWCWSXLFQBLFGD-KBPBESRZSA-N 227.392 3.504 30 20 BHED C=CCCCN[C@H](C)c1ccc(Cl)cc1 70591998 CHGZUIIBXCBHMX-LLVKDONJSA-N 223.747 3.957 30 20 BHED C[C@H]1C[C@@H](c2ccccc2F)N(CCCC#N)C1 75900220 VADRZNQMXXOLCW-WFASDCNBSA-N 246.329 3.512 30 20 BHED C=C[C@](C)(CC)C(=O)NCCCC(C)(C)C 188441404 XUZJVMSRASRDCR-CQSZACIVSA-N 225.376 3.531 30 20 BHED CC#CCCS[C@H](C)c1cccc(C#N)c1 190890491 CAHLFNUXZPPLTB-GFCCVEGCSA-N 229.348 3.766 30 20 BHED C=C(C)CN(CC)[C@H](C)c1cc(F)ccc1F 195732928 JHRUOXMMDPLYOP-LLVKDONJSA-N 239.309 3.924 30 20 BHED C=CCCCCCN(C)C(=O)c1c(C)coc1C 284213890 CVPZJDSKPCQGIO-UHFFFAOYSA-N 249.354 3.715 30 20 BHED CC(C)(C#N)CCCCN1CCC2(CCCC2)C1 302024443 YHZJQRSLAIILOC-UHFFFAOYSA-N 248.414 3.973 30 20 BHED C=CCSCCCCSCC=C 308112140 KOQKPUBQDFHNOB-UHFFFAOYSA-N 202.388 3.605 30 20 BHED CC(C)CCSc1nc(Cl)c(C#N)s1 308539662 NJJGEGQRBZAGMD-UHFFFAOYSA-N 246.788 3.806 30 20 BHED C=CCCCCNc1nc(C)c(C#N)cc1Cl 310125216 FPEDOZLPUFZIEK-UHFFFAOYSA-N 249.745 3.683 30 20 BHED C=C(CN[C@H](C(C)C)C1CC1)c1ccccc1 324214116 DJXYPDSTLDOOQP-MRXNPFEDSA-N 229.367 3.724 30 20 BHED C=CCCCNc1cnn(CC(C)C)c1C1CC1 345326502 OGZJMSZHIUMHHQ-UHFFFAOYSA-N 247.386 3.795 30 20 BHED N#Cc1ccc(SCC2CCC2)c(F)c1 361369430 ZRFHDIPWFDTNEJ-UHFFFAOYSA-N 221.300 3.590 30 20 BHED CC(C)CC[C@@H]1CCC[C@@H]1NCC1(CC#N)CC1 430720964 BIMDPOFARXUPPU-GJZGRUSLSA-N 248.414 3.875 30 20 BHED C=CCCCN[C@H]1CCC[C@H]1c1ccccc1 446003588 QEKVSMRLEORAQE-HOTGVXAUSA-N 229.367 3.879 30 20 BHED CC(C)CC[C@H]1CCCN1CC1(C#N)CCC1 450499395 KKNRCHJNAHWOHF-CQSZACIVSA-N 234.387 3.581 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(/C=C/C)cc1 451769472 LWXMCVRIEIQNGE-FNORWQNLSA-N 229.323 3.870 30 20 BHED CC#CCCCC(=O)N1CCC[C@H]1CCCCC 466429381 XVUURWZNWOARFF-OAHLLOKOSA-N 249.398 3.751 30 20 BHED C=CCC(CC=C)C(=O)NC[C@H]1CCCC[C@H]1C 467333835 DNZKPLSRYFPPIG-UKRRQHHQSA-N 249.398 3.697 30 20 BHED COc1ccc(C#N)cc1N[C@H](C)CCC1CC1 470296876 GKQZKUVWNQDHID-LLVKDONJSA-N 244.338 3.557 30 20 BHED C=C(C)CN[C@H](Cc1ccc(F)cc1)C(C)C 495479690 KNMURDFQEUTHMZ-OAHLLOKOSA-N 235.346 3.559 30 20 BHED C=CCCC[C@H](C)N[C@H]1CCC[C@@H]1CCOC 502395744 XXAXMOSIQBWZHT-ZNMIVQPWSA-N 239.403 3.526 30 20 BHED C=CCN(CC=C)Cc1ccc(OC(C)C)cc1 536622904 YKXDQHOCKJYMKC-UHFFFAOYSA-N 245.366 3.648 30 20 BHED C=C(C)CCc1noc(CC[C@H](C)CC)n1 558388528 NXPOAHJVQBVCKM-LLVKDONJSA-N 222.332 3.557 30 20 BHED C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC1(C)C 567017591 CRIFQMVUVVTGLT-SWLSCSKDSA-N 237.387 3.531 30 20 BHED C=C(CC)CNc1ccc(C)c(C(C)=O)c1 574771324 RUVQALDFTVDSCQ-UHFFFAOYSA-N 217.312 3.576 30 20 BHED N#CCC1(CSCCCC2CCC2)CC1 596393679 LMOFQZRYCMRKFJ-UHFFFAOYSA-N 223.385 3.994 30 20 BHED C[C@H](Sc1ccc(C#N)cc1)c1ccncc1 609484216 XSUNVAXYEVOZHH-NSHDSACASA-N 240.331 3.807 30 20 BHED C=CCCN[C@H](CC)c1cc(C)ccc1OC 658116720 NWKSBGNFLCWFOI-CQSZACIVSA-N 233.355 3.620 30 20 BHED C=CCCCCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 681144931 FNRUKIOSYWLJPM-KBPBESRZSA-N 249.398 3.697 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cc(O)c(C)cc1C 682363676 RFOVUWPXNNXLEO-OAHLLOKOSA-N 247.338 3.550 30 20 BHED C[C@H]1C[C@H](C)CC[C@@H]1/N=C\c1ccccc1O 733080813 BTYSRCATBVMWHQ-QDUGVGQWSA-N 231.339 3.636 30 20 BHED COCC(=NNc1c(C)cc(C)cc1C)C(C)C 743445231 KUELQKQSLQZIJU-UHFFFAOYSA-N 248.370 3.682 30 20 BHED CC(=NNc1c(F)cccc1F)C1CCC1 747633446 YYZWPNSZOFDHBQ-UHFFFAOYSA-N 224.254 3.553 30 20 BHED C=C(Cl)CN1CC[C@H](c2ccccc2)[C@@H]1C 751775880 IXIPFKKRUVWHCD-JSGCOSHPSA-N 235.758 3.617 30 20 BHED C[C@H]1C[C@@H]1C=NNc1cccc(C(F)(F)F)c1 758358864 MFZFOVLVKODXBW-DTWKUNHWSA-N 242.244 3.759 30 20 BHED C#CCCN1CCC[C@@H]1[C@@H](CC)c1ccccc1 760819394 JIELWKRRDWOWKO-DLBZAZTESA-N 241.378 3.668 30 20 BHED CCc1ccc(/C=C/C(=O)c2cscn2)cc1 769266554 YGAPSYGXXFWCIV-BQYQJAHWSA-N 243.331 3.602 30 20 BHED C#CC[C@H](NCCC1CCCC1)c1ccccc1 775400182 MKTOCRBZADRPOK-KRWDZBQOSA-N 241.378 3.921 30 20 BHED C#CCCCOc1cccc2ccc(Cl)nc12 786756007 MGLOBERNYUJEJC-UHFFFAOYSA-N 245.709 3.680 30 20 BHED CC[C@@H](C)CON=C(C)C1CCSCC1 793146023 NZQRSNIWFCFDLV-SNVBAGLBSA-N 229.389 3.568 30 20 BHED C=CCCCCC[C@H](C)N[C@H]1CCO[C@H](C)C1 793545659 JSFCIDKHPSDEQA-ZNMIVQPWSA-N 239.403 3.669 30 20 BHED C=C(CC)CNc1cc(C#N)ccc1NCCC 795265618 BHRKTBPUCFTUME-UHFFFAOYSA-N 243.354 3.758 30 20 BHED C[C@H](C#N)OCCSCCC1CCCCC1 802752393 UPOHRXUCWQQGEB-GFCCVEGCSA-N 241.400 3.619 30 20 BHED CCC(CC)NN=C1CC(c2ccccc2)C1 814851162 HFWGFEAEYBGGQL-UHFFFAOYSA-N 230.355 3.698 30 20 BHED CC[C@@](C)(C=NNc1ccccc1Cl)OC 834917001 UBHBLMUHBBDLNQ-LBPRGKRZSA-N 240.734 3.553 30 20 BHED CC[C@H](C)CC=NNc1cc(Cl)ccn1 834970603 NPZTURIHMYYTRW-VIFPVBQESA-N 225.723 3.569 30 20 BHED CCC(=NNc1cccc(Cl)n1)C1CCC1 834980906 FEHHRQLSIGNRKR-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C=CCC[C@H](CCC)NCC1SCCS1 850561071 QDDJVUJOKRZKSM-NSHDSACASA-N 245.457 3.517 30 20 BHED CON=Cc1ccc(-c2ccc(C)cc2)s1 920479091 KBBIWKXQLNESNY-UHFFFAOYSA-N 231.320 3.704 30 20 BHED CCN(Cc1ccccc1F)C[C@@H](C)CCC#N 1119237664 KUCQTOUUVAWPTP-ZDUSSCGKSA-N 248.345 3.587 30 20 BHED CC(C)CNN=C[C@@H](c1ccccc1)C(C)C 1256377190 XEGLKDUNMMAHRC-OAHLLOKOSA-N 232.371 3.658 30 20 BHED C[C@H]1CCC[C@@H](CSc2cccnc2C#N)C1 1641128146 BBYMQACBQXZLLZ-NWDGAFQWSA-N 246.379 3.872 30 20 BHED CC[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N 36926879 OQDSXHFXARXQSE-QMMMGPOBSA-N 242.244 3.787 30 20 BHED Cc1ccc(CN(C)CCCC(C)(C)C#N)cc1 87608447 AKTMJLFEQNBLTC-UHFFFAOYSA-N 244.382 3.757 30 20 BHED C=CCC[C@H](C)NCCc1c[nH]c2ccccc12 130510131 OMTVFNJDQIQUSO-ZDUSSCGKSA-N 242.366 3.655 30 20 BHED C=CCCCC(=O)N[C@H](CC)c1cccs1 175387233 UFVIODJDKOCENE-LLVKDONJSA-N 237.368 3.672 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1cccn1C(C)C 182608827 ATPCXRALPLLUFP-CYBMUJFWSA-N 248.370 3.544 30 20 BHED C=CCC(C)(C)CNCc1ccccc1C 238469663 CGQSTLABKCDKDI-UHFFFAOYSA-N 217.356 3.687 30 20 BHED CC[C@H](CC#N)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 251333111 IWXISXPBWQFNKF-BYNSBNAKSA-N 234.387 3.627 30 20 BHED Cc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1C 274656335 UMAAUMOYRRDROD-OFQRWUPVSA-N 242.366 3.646 30 20 BHED C=CCCc1noc(C[C@@H](C)c2ccccc2)n1 297367190 QFFOVLUQYFJITK-GFCCVEGCSA-N 242.322 3.534 30 20 BHED Cc1cnccc1SCc1cccc(C#N)c1 334202004 ORIQWAAFWCQLAE-UHFFFAOYSA-N 240.331 3.554 30 20 BHED Cc1csc(CSc2ccc(C#N)cc2)n1 336213017 CCIFEWYPLHJBEW-UHFFFAOYSA-N 246.360 3.616 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1ccc(F)cn1 344292742 GJQBEDAHZANZBF-RYUDHWBXSA-N 236.334 3.616 30 20 BHED CCN(Cc1ccccc1C)[C@H](C)CCC#N 351615219 LJZYFLCZIGYXGH-CQSZACIVSA-N 230.355 3.509 30 20 BHED C=C(CC)CSc1ccc(NC(C)=O)cc1 358561889 AYYKOSLXUCYVLY-UHFFFAOYSA-N 235.352 3.703 30 20 BHED N#Cc1cc(F)ccc1CSCCC1CC1 358642622 AEKQSWIKANLRFP-UHFFFAOYSA-N 235.327 3.731 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)CC1CCCC1 380000894 MTPRSBKIRWBHCD-GXTWGEPZSA-N 209.377 3.900 30 20 BHED C=C(Cl)CSCc1sc(C)nc1C 388325437 ZEGBBFBHJRBOGB-UHFFFAOYSA-N 233.789 3.746 30 20 BHED C=CCC[C@H](NC[C@H]1CC12CC2)c1ccco1 417331107 BFEBGSBNNFCCOA-OLZOCXBDSA-N 231.339 3.677 30 20 BHED C=CCCCC[C@H](C)NCC(C)(C)C(C)(C)O 449716898 DFCCQVYBXCCWKF-ZDUSSCGKSA-N 241.419 3.508 30 20 BHED C=CC[C@H](CC)NC[C@@H](C)c1ccc(F)cc1 467524386 YHROTNQMGMKZQS-DOMZBBRYSA-N 235.346 3.874 30 20 BHED C=CCN[C@H](c1ccc(F)cc1)c1cccs1 532048031 YIYWEYJVXPCOEE-CQSZACIVSA-N 247.338 3.752 30 20 BHED CCC[C@@H]1CCCN(Cc2ccccc2C#N)C1 532326661 CWSCLBORCDOKGS-CQSZACIVSA-N 242.366 3.570 30 20 BHED C=CCC(C)(C)c1noc(C(F)=C(C)C)n1 551144952 JGIIZRODISHCTE-UHFFFAOYSA-N 224.279 3.644 30 20 BHED CC#CCCCc1nc([C@@H](C)C(C)(C)C)no1 554808144 YFGPBBAKGIRYMY-LLVKDONJSA-N 234.343 3.565 30 20 BHED C=C(CC)CSCc1cnc2ccccc2n1 596350678 YIOUCRDEBGIJKO-UHFFFAOYSA-N 244.363 3.829 30 20 BHED Cc1cccc(CS[C@@H](C#N)C2CC2)c1 601083654 JKWBCYLFJKSEBR-ZDUSSCGKSA-N 217.337 3.530 30 20 BHED C[C@]1(C#N)CCCN(CCC2CCCCC2)C1 612167652 SPRCOHZGGKRZAU-OAHLLOKOSA-N 234.387 3.582 30 20 BHED C/C=C/CSCc1ccc(C#N)cc1C 614394720 KYJQVJXSQNHFQX-ONEGZZNKSA-N 217.337 3.676 30 20 BHED C=CCCC[C@H](C)NC1CCC(OCC)CC1 657940532 JQKVJMUJSUVRAI-NFOMZHRRSA-N 239.403 3.669 30 20 BHED C=CCCCOC(=O)CC(C)(C)c1ccccc1 735532524 MONQDRDMPMGJNI-UHFFFAOYSA-N 246.350 3.864 30 20 BHED C/C(C=NOCC(C)C)=C\c1ccccc1 749636847 TUVHPQRWAIKHCC-PUYNATSBSA-N 217.312 3.748 30 20 BHED Cc1cc(C)c(C=NNc2ccc(F)cc2C)[nH]1 750938855 PKXAMOOOXOUHPR-UHFFFAOYSA-N 245.301 3.525 30 20 BHED C=CCOc1ccc(OC(=O)C(C)=C(C)C)cc1 751401893 DTXOURICABVSQY-UHFFFAOYSA-N 246.306 3.513 30 20 BHED C#CCCCC(=O)N1CCCC(CC)(CC)CC1 758063020 NNFBBRYZVBXRES-UHFFFAOYSA-N 249.398 3.609 30 20 BHED C#CCCN[C@H](c1ccccc1)C1CCCC1 760854704 CSUVUXPFWSCVFM-MRXNPFEDSA-N 227.351 3.531 30 20 BHED C#CCCCCc1nc(CC2CCCCC2)no1 761820719 QOPWTMDGTXIPIP-UHFFFAOYSA-N 246.354 3.538 30 20 BHED C(=NOCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 762419834 XTIMBYITKCKQTL-KKUMJFAQSA-N 229.323 3.625 30 20 BHED C#CCCCN(C)[C@H](c1ccccc1)C(C)C 766902053 VTRAHYDQGGNDOX-INIZCTEOSA-N 229.367 3.729 30 20 BHED O=C(/C=C\c1nccc2ccccc12)c1ccco1 769772380 YPGVREGZPPVGIY-FPLPWBNLSA-N 249.269 3.724 30 20 BHED CC(C)(C)C=NNc1c(F)cccc1Cl 769829544 RHHZKZDTPMEGIF-UHFFFAOYSA-N 228.698 3.923 30 20 BHED C=CCN(C(=O)C=C(CCC)CCC)C1CC1 771818951 OBZKQYGJDXKOSV-UHFFFAOYSA-N 235.371 3.690 30 20 BHED C=C[C@H]1CCCCN1C(=O)/C=C(/C)C(C)(C)C 785856502 IEMAEAQBBYYOPM-HHQWOOOKSA-N 235.371 3.546 30 20 BHED CC1(C)CCCC(=NNC2CCCCC2)C1 786039423 BIIBOQPLBMWKRG-UHFFFAOYSA-N 222.376 3.865 30 20 BHED CCCCCCCCn1ccc(C#N)c1 790510448 FKKZJUHCVDUEHI-UHFFFAOYSA-N 204.317 3.720 30 20 BHED C/C(=C/Cl)CSCc1ccc(C#N)cc1 797813857 NXGOFDGLDHLXGL-POHAHGRESA-N 237.755 3.934 30 20 BHED Cc1cc(C#N)ccc1OCCSC(C)(C)C 802730246 UFRJAHXKBCYBEW-UHFFFAOYSA-N 249.379 3.777 30 20 BHED CCC(C=NOC/C=C/Cl)(CC)CC 814934831 ZTAZQDAICYIEMV-BFYZQEBZSA-N 217.740 3.958 30 20 BHED C=C[C@@H](CC)CC(=O)N1CC[C@@H](C2CCCC2)C1 823090971 FZMSYILBPNQIQU-DZGCQCFKSA-N 249.398 3.627 30 20 BHED C=CCC[C@H](C)OC(=O)CC1(C#N)CCCCC1 849907139 UTOHJQGAWYELRZ-ZDUSSCGKSA-N 249.354 3.748 30 20 BHED N#CC1(CCCCN2CCCCCC2)CCC1 929234201 NRQIRUBNXKHPOH-UHFFFAOYSA-N 234.387 3.727 30 20 BHED CC(C)(C)CCCNc1c(C#N)cccc1C#N 1116785317 SZCIJPRGFRCYKH-UHFFFAOYSA-N 241.338 3.668 30 20 BHED C=CCCCCN(C)[C@@H]1CC[C@H](SC)C1 1324487574 XYJMSZKFGKBLSV-OLZOCXBDSA-N 227.417 3.559 30 20 BHED CCN(Cc1ccccc1C(C)C)[C@H](C)C#N 1655165134 SQZZXFIHCBGKAK-CYBMUJFWSA-N 230.355 3.544 30 20 BHED C#CCCCCN[C@H](CC)c1ccc(F)cc1 130765787 SAPVCUFJUZIOTK-OAHLLOKOSA-N 233.330 3.670 30 20 BHED CC(C)(C#N)CCCN1CC[C@@H](C(C)(C)C)C1 131337049 DTVRCJXPPFSWGM-CYBMUJFWSA-N 236.403 3.684 30 20 BHED CC1(C)CCC[C@H](NCc2cc(C#N)cs2)C1 149518728 MJFHNFXLQMTJKH-LBPRGKRZSA-N 248.395 3.678 30 20 BHED CC[C@H]1CCC[C@@H]1Nc1ccc(OCC#N)cc1 165278987 YKMHSHGPOIDOTO-WFASDCNBSA-N 244.338 3.580 30 20 BHED C=CCCCN[C@H]1CCCC[C@H]1SCC 190023645 HHTYYZQMUMJPLX-QWHCGFSZSA-N 227.417 3.607 30 20 BHED N#CCCCSCc1ccc(F)c(F)c1 190883398 AAYXPKCOAROVDN-UHFFFAOYSA-N 227.279 3.502 30 20 BHED C=CCCN[C@@H]1CCC[C@H]1Cc1ccccc1 191889747 KMDDAFDXGHHMSC-JKSUJKDBSA-N 229.367 3.564 30 20 BHED C=CCCCCCN1CCC[C@H]1c1ccncc1 193454482 NYUIEBKXQAIHEZ-INIZCTEOSA-N 244.382 3.965 30 20 BHED Cc1ccnc(NCC2(C)CCCCC2)c1C#N 235930896 SXHZQFMXODNEAC-UHFFFAOYSA-N 243.354 3.644 30 20 BHED C=CCCNc1ccccc1CC(F)(F)F 266207810 MFZNGEDYCJVGCK-UHFFFAOYSA-N 229.245 3.779 30 20 BHED C=C(C)CSCc1ccnc(Cl)c1 266992987 CIPFPVNNFCGVAE-UHFFFAOYSA-N 213.733 3.544 30 20 BHED C[C@@H]1C[C@H](NCCCCC#N)c2ccccc21 289213009 KOSABCXRRONUJN-DOMZBBRYSA-N 228.339 3.518 30 20 BHED C=CCN(CC1CCCCC1)C(=O)C1CCCC1 303485034 URETYYXTKLJTQD-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CC[C@H](CC)NCc1ccc(Cl)c(F)c1 309484704 VADKVSAREPJZEG-NSHDSACASA-N 241.737 3.923 30 20 BHED C[C@H]1C[C@@H](C)C[C@H](Nc2cccc(CC#N)c2)C1 313405790 CHCQBVAUJOOTMC-VIKVFOODSA-N 242.366 3.989 30 20 BHED C[C@@H](C#N)S[C@H](C)c1ccc(F)cc1 335955284 HFBNDXOAXDDPRI-DTWKUNHWSA-N 209.289 3.532 30 20 BHED COCCCCSCc1ccc(C#N)c(C)c1 350781162 MAJOWNKYJKXNAP-UHFFFAOYSA-N 249.379 3.527 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1CC[C@H](C)C1 389965117 XEUDVHPQXIROOI-MELADBBJSA-N 209.377 3.900 30 20 BHED C[C@@H](SCCC#N)c1nc2ccccc2o1 413010381 GHPNJFNSVJVYIF-SECBINFHSA-N 232.308 3.536 30 20 BHED CC[C@H](C)CN[C@@H](CC)c1ccc(C#N)cc1 421892185 WJWHBAKUBQEDTR-WFASDCNBSA-N 230.355 3.645 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H](CC)[C@H]1CC1(C)C 424897907 WNOQLIYUDMIDEI-NEPJUHHUSA-N 237.387 3.530 30 20 BHED CC[C@@H](c1ccc(F)cc1)N(C)CC(C)(C)C#N 433321570 YFAZFXZNCGSKIB-AWEZNQCLSA-N 248.345 3.758 30 20 BHED C=C(C)CN(CC)C[C@@H](C)c1ccc(F)cc1 437595488 YVTSHKMTICMINF-CYBMUJFWSA-N 235.346 3.827 30 20 BHED Cc1cc(SC[C@H]2CC[C@H](C)O2)ccc1C#N 572720834 CXNINSCLCHTCPQ-WCQYABFASA-N 247.363 3.526 30 20 BHED CCC(C)(C)CN[C@H]1CCc2ccc(C#N)cc21 576317629 MAJSIUZGGKGKRR-HNNXBMFYSA-N 242.366 3.571 30 20 BHED C[C@H]1CCCC[C@H]1Sc1cc(C#N)ccn1 600521014 SMOMLHHRTKLMDU-CMPLNLGQSA-N 232.352 3.624 30 20 BHED C[C@@H](CCC#N)CN1CCC[C@@H]1c1ccsc1 602440039 NAHDFTXUPMPEKY-GXTWGEPZSA-N 248.395 3.825 30 20 BHED C=CCC1(NC(=O)[C@H](C)C2CCCC2)CCCC1 619107633 HBVZWLNLZSWNLC-CYBMUJFWSA-N 249.398 3.818 30 20 BHED CCCCCCCCC(=O)N1CC[C@@H](C)[C@@H]1C 752390872 RXIJHZSYCFGXBQ-KGLIPLIRSA-N 239.403 3.994 30 20 BHED C=CCC[C@@H](CCC)N[C@H](C)Cc1ccco1 764772074 XOBNXWFLUWBWRO-ZIAGYGMSSA-N 235.371 3.935 30 20 BHED CC(C)c1nccnc1NN=C1CCC[C@H](C)C1 773091434 OTMUPYFFFHXRLO-NSHDSACASA-N 246.358 3.578 30 20 BHED CC(C)Oc1ccccc1C=NOC1CCCC1 774597713 WFJIEKLVLHUJMW-UHFFFAOYSA-N 247.338 3.767 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C1\CC[C@@H](C)C1 775923369 MHZYYLJVSZDXSG-PDRVLSSUSA-N 235.371 3.594 30 20 BHED CCCCCCCOC(=O)/C=C/c1ccc[nH]1 782331606 MIIRVVNPFWNGIN-MDZDMXLPSA-N 235.327 3.542 30 20 BHED C#CCCCCNCc1c(Cl)cccc1CC 788963443 HHCOSJSOOCKVBY-UHFFFAOYSA-N 249.785 3.796 30 20 BHED CCCC[C@@H](C)C(=O)OCCCC(C)(C)C#N 800274869 XDAVIIJMEAZLFO-GFCCVEGCSA-N 239.359 3.686 30 20 BHED CC[C@H]1CCC1=NNc1cc(C)ccc1C 807955289 RQILRYYGSDRPFS-LBPRGKRZSA-N 216.328 3.891 30 20 BHED C=CCNN=C1CCCC[C@@H]1C1=CCCCC1 814927823 IULFOSVFLCLVSI-CQSZACIVSA-N 232.371 3.809 30 20 BHED CCC[C@H](C=NNc1ccc(Cl)cc1)OC 834914335 OJGGEKAPRRQOTK-GFCCVEGCSA-N 240.734 3.553 30 20 BHED CC(C)=CCCC(C)=NN[C@@H](C)C(F)(F)F 835002632 UTHPZAOWKFEHHC-JTQLQIEISA-N 236.281 3.649 30 20 BHED C[C@@H]1CCC[C@H](CCN2CCC[C@@](C)(C#N)C2)C1 1192452554 LQVGHUFJGDVJMS-OAGGEKHMSA-N 248.414 3.828 30 20 BHED CSCC(=NOC(C)(C)C)c1ccccc1 1320324917 CTQDZWJFZDMOBS-UHFFFAOYSA-N 237.368 3.569 30 20 BHED CC(C)(C)ON=C1CCC2(CCOCC2)CC1 1324558578 OMUPTLTXKSADQV-UHFFFAOYSA-N 239.359 3.528 30 20 BHED C#Cc1cccc(NCc2ccc(CC)cc2)c1 19876813 CKEOPOLHUFHTCC-UHFFFAOYSA-N 235.330 3.842 30 20 BHED CC[C@H]1CCCC[C@@H]1NCc1cccc(C#N)c1 35256716 QLPKYMVXNCKMNM-HOTGVXAUSA-N 242.366 3.617 30 20 BHED C[C@@H]1CCC[C@H](Nc2ccc(CC#N)cc2)C1 37071286 BMONKAXVBXOGAL-DOMZBBRYSA-N 228.339 3.743 30 20 BHED C=CCCCNc1ccc(OCCC)cc1 70592257 RHXRFNWSSXNSSM-UHFFFAOYSA-N 219.328 3.854 30 20 BHED CC1(C)CCC[C@@H](NCc2cccc(C#N)c2)C1 79977568 RLALLZUWBXEQAO-OAHLLOKOSA-N 242.366 3.617 30 20 BHED CCCC1CCN(CCCC(C)(C)C#N)CC1 87608683 QMVRHAFDLPTYCJ-UHFFFAOYSA-N 236.403 3.828 30 20 BHED CCCOc1ccc(OCC2(CC#N)CC2)cc1 88272102 FVPMTAAOILYAJZ-UHFFFAOYSA-N 245.322 3.548 30 20 BHED CCC(C)(C)[C@@H]1CCCN1Cc1ccc(C#N)o1 93809438 RLEMDDDCSHIKCC-AWEZNQCLSA-N 246.354 3.552 30 20 BHED C=CCCC(=O)Oc1c(Cl)cccc1Cl 102217256 AEYBEQIRUCYENE-UHFFFAOYSA-N 245.105 3.865 30 20 BHED Cc1cc(OCc2ccccc2F)ccc1C#N 133517785 OODCCXIQOWAASE-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@H](CC)CC1 150726513 MCMJYCNLBUOITP-AWEZNQCLSA-N 249.398 3.794 30 20 BHED Cc1c([C@@H](C)NCCCC#N)oc2ccccc12 184088120 OOEPOQWIDVCZLD-GFCCVEGCSA-N 242.322 3.696 30 20 BHED CC(C)CC1(CN[C@@H]2CCC[C@H](C#N)C2)CCC1 185857456 WRBUFSPNYJULJE-LSDHHAIUSA-N 248.414 3.875 30 20 BHED C=C[C@@](C)(CC)C(=O)N(CC)Cc1ccccc1 190026655 JPYWJGCMJARIFH-INIZCTEOSA-N 245.366 3.637 30 20 BHED C=CCC1(C(=O)Nc2cccc(C)c2C)CCC1 190252388 OJEYSONILDTAPD-UHFFFAOYSA-N 243.350 3.988 30 20 BHED C[C@@H](CC#N)N(C)Cc1ccc2ccccc2c1 193528099 LAJCIGRDPLXRHW-ZDUSSCGKSA-N 238.334 3.574 30 20 BHED C=CCCCCCCNc1nnc(C(F)F)o1 293212578 VEAZFPSHUMJEHP-UHFFFAOYSA-N 245.273 3.556 30 20 BHED C[C@@H](CC(C)(C)C)Nc1cccc(OCC#N)c1 295531018 WSGHAVRATQYMQL-LBPRGKRZSA-N 246.354 3.826 30 20 BHED C=CCN(CC=C)[C@@H](C)c1nc2ccccc2o1 298018281 ZXQGJXPVWKUQFL-LBPRGKRZSA-N 242.322 3.563 30 20 BHED C[C@@H](c1ccc(F)cc1)N(C)CCCCC#N 299562726 VXJHBSWEDNLDNP-LBPRGKRZSA-N 234.318 3.512 30 20 BHED C=C(C)CN(CC)c1cc(C(F)(F)F)ccn1 301732142 PNWXWALMJFLDLM-UHFFFAOYSA-N 244.260 3.503 30 20 BHED CC[C@@H]1CC[C@@H](C)N(c2cccc(F)c2C#N)C1 302509358 BSENTXVMSCWPJA-VXGBXAGGSA-N 246.329 3.712 30 20 BHED CC[C@H](CC#N)NCCCC1CCCCC1 310000814 DTQCJPZWLDDPBQ-CQSZACIVSA-N 222.376 3.629 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1cccc(C#N)c1 310925784 BGGDJJNMDKPPFE-ZDUSSCGKSA-N 242.366 3.811 30 20 BHED C=CCN(Cc1ccc(SC)cc1)C1CC1 357548159 AULVFLFHMKSHIK-UHFFFAOYSA-N 233.380 3.559 30 20 BHED C=CCCCC[C@@H](C)N[C@@H]1C[C@H]1c1ccco1 414345500 LDOREPBRTWOFSM-MGPQQGTHSA-N 233.355 3.860 30 20 BHED C=CCC1(C(=O)Nc2cccnc2)CCCCC1 448564049 FPBSARHUHYIDNO-UHFFFAOYSA-N 244.338 3.547 30 20 BHED C=CCCC[C@H](C)NC(=O)C1(CC=C)CCCC1 450429452 ZUBJKPKJBAUUMJ-AWEZNQCLSA-N 249.398 3.984 30 20 BHED C=CCC[C@H](CCC)NCCc1ccc(C)cn1 453434460 UCKTZPRHPBWJDA-HNNXBMFYSA-N 246.398 3.657 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@](C)(CC)CCC 466530249 QAIDFXDAYUMUOE-JSGCOSHPSA-N 225.376 3.674 30 20 BHED C=C(CC)CN[C@H](c1ccc(OC)cc1)C(C)C 537040310 RWHQIKRRQZSCBY-INIZCTEOSA-N 247.382 3.948 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1cc(C)cc(C)c1 540538490 SVIZOWKDNWGAHS-CQSZACIVSA-N 245.366 3.778 30 20 BHED CCN(CCCCC#N)Cc1ccc(C)cc1 608832715 LJOCMUOPMZOGME-UHFFFAOYSA-N 230.355 3.511 30 20 BHED CCC[C@@H]1CCCC[C@@H]1Nc1cccc(C#N)n1 609893031 YDXFWIXQCQKTBS-OCCSQVGLSA-N 243.354 3.724 30 20 BHED CCN(CCCCC(C)(C)C#N)Cc1ccoc1 618279285 ODUGZDIPTGIMCC-UHFFFAOYSA-N 248.370 3.822 30 20 BHED CCC(C=NNc1cc(F)c(F)cc1F)CC 734301860 SETMXDPYNJMPQQ-UHFFFAOYSA-N 244.260 3.938 30 20 BHED C=C(C)COC(=O)C[C@H](CC)c1ccc(C)cc1 738689127 MOTRUQRLWKFHAM-AWEZNQCLSA-N 246.350 3.998 30 20 BHED C#CCCS[C@@H](C)c1ccccc1OC 751786299 ZUENJXNQCHJDGP-NSHDSACASA-N 220.337 3.513 30 20 BHED CC[C@H]1CCCC1=NNc1ccc(F)cc1F 758357885 CDSYMWNBUXSJDG-VIFPVBQESA-N 238.281 3.943 30 20 BHED CC[C@@H]1CCCC1=NNc1nccnc1C(C)C 773090601 JBGXVZZHLBQXAA-LLVKDONJSA-N 246.358 3.578 30 20 BHED CCC(CC)CNN=Cc1c(C)cccc1C 774470148 FPCAZHRAMDUSMO-UHFFFAOYSA-N 232.371 3.663 30 20 BHED C=CCN(C(C)C)[C@@H](C)Cc1ccsc1 783415163 PFNMFWBRUIYXOP-LBPRGKRZSA-N 223.385 3.576 30 20 BHED C=C[C@@](C)(CC)c1nc([C@H](C)CCC)no1 809361881 ZGKKBONJHBZXHL-MFKMUULPSA-N 222.332 3.827 30 20 BHED C=CCCCCOC(=O)c1cc(C)ccc1F 811012580 PKGMBNBLFHPHKX-UHFFFAOYSA-N 236.286 3.647 30 20 BHED CC1=CCC[C@@H](C)[C@@H]1C=NOC1CCC1 812235065 JVGFTUGPJYNFQL-DGCLKSJQSA-N 207.317 3.534 30 20 BHED CCC[C@@H](C)CC(=O)O[C@@H](C)CC(C)(C)C#N 851211094 ZOMAWQGXRBXSFA-NEPJUHHUSA-N 239.359 3.684 30 20 BHED CCC(C#N)(CC)C(=O)O[C@@H](C)c1ccccc1 860198541 XTVJHEFNHBDDEE-LBPRGKRZSA-N 245.322 3.621 30 20 BHED C#CCON=C(CCC)c1cc(C)sc1C 863115059 YQMHNZIZNGWOFB-UHFFFAOYSA-N 235.352 3.519 30 20 BHED CCC(C=NNc1ccc(C)cc1)CC 916250681 UEOFZOPVYJIRDT-UHFFFAOYSA-N 204.317 3.829 30 20 BHED CC(C)(C)ON=C1CCCc2ccccc21 1319804054 WLRJOUGOSCCKMB-UHFFFAOYSA-N 217.312 3.542 30 20 BHED C#Cc1cccc(N[C@@H](C)c2cccc(C#N)c2)c1 37185262 CQUJFNXCVLUGRB-ZDUSSCGKSA-N 246.313 3.713 30 20 BHED N#Cc1ccc(NC2CCCCCC2)c(F)c1 37412608 QYKIEIYFEXQZDS-UHFFFAOYSA-N 232.302 3.832 30 20 BHED CC[C@@H]1CCCC[C@@H]1NCCCC(C)(C)C#N 87597627 LEVUOKJFUAYFEB-KGLIPLIRSA-N 236.403 3.875 30 20 BHED CCCCCCCC(=O)Nc1ccc(F)cn1 103014634 IPOQXWLEZJHLJO-UHFFFAOYSA-N 238.306 3.520 30 20 BHED C/C=C/CS[C@@H](C)c1ccc(C#N)cc1 118444367 NIMIHIZDFSTUDI-UFFNRZRYSA-N 217.337 3.929 30 20 BHED C=C[C@H](C)N[C@@H](CC)c1ccc(F)cc1F 119343622 MIMPDYIYVIGUMB-ZANVPECISA-N 225.282 3.580 30 20 BHED N#Cc1cccc(NCc2coc3ccccc23)c1 130921669 UGZNCECVJVVREC-UHFFFAOYSA-N 248.285 3.917 30 20 BHED CCCC[C@@H]1CCC[C@H]1N[C@@H](CC)CC#N 136961002 KCTWQNZHEMMOLN-HZSPNIEDSA-N 222.376 3.627 30 20 BHED C=C(C)COCCN[C@@H](CC)c1ccc(C)cc1 163519988 AEUPYIQSAJWKCV-INIZCTEOSA-N 247.382 3.628 30 20 BHED C=C(C)C[C@@H](C)C(=O)Nc1ccsc1Cl 187887477 IJLXQHRIBOQSLA-MRVPVSSYSA-N 243.759 3.942 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cccc(OCC)c1 190778007 PEQWJHAYHDHQEL-HNNXBMFYSA-N 247.338 3.626 30 20 BHED C=CC[C@H](C)[C@H](C)Nc1ccccc1CCOC 191577754 XJMXHKASRKKWMD-KBPBESRZSA-N 247.382 3.888 30 20 BHED C=CCN(CC)c1cccc2ccccc12 199992706 FKVMJAZRWQLMLK-UHFFFAOYSA-N 211.308 3.852 30 20 BHED Cc1ccoc1C(=O)/C=C\c1ccc(F)c(F)c1 263635557 FXMRTYZWXDYNST-HYXAFXHYSA-N 248.228 3.762 30 20 BHED C=C[C@@](C)(CC)C(=O)N(C)Cc1ccccc1C 276094301 ZNAFMXRVZFJMBQ-INIZCTEOSA-N 245.366 3.556 30 20 BHED N#C[C@H]1CC[C@@H](SCc2ccccc2)C1 278495872 BWTYCFLADOSYSX-QWHCGFSZSA-N 217.337 3.612 30 20 BHED C[C@@H]1C[C@@H](c2ccccc2)N(CCCCC#N)C1 285634005 KXYSFUTXRNDRNM-ZBFHGGJFSA-N 242.366 3.763 30 20 BHED CC(C)(C#N)CCCCN1CCC[C@@H]1C1CCC1 364350285 DOTKUCANXXNZRI-OAHLLOKOSA-N 248.414 3.971 30 20 BHED C=CC[C@H](CC)N[C@H](C)CC1CCCC1 380000896 MTPRSBKIRWBHCD-OCCSQVGLSA-N 209.377 3.900 30 20 BHED C=CCCCCCCNCc1cccc(C#N)c1 380673683 MTDGXHQHVFHAST-UHFFFAOYSA-N 242.366 3.784 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[C@@H]1C1CC1 424902765 XSPMBSVYTYYMNS-ZIAGYGMSSA-N 249.398 3.531 30 20 BHED CCN(CC#Cc1ccc(Cl)cc1)CC(C)C 427024014 QRJUZAPCNYWQDE-UHFFFAOYSA-N 249.785 3.669 30 20 BHED CC[C@H](C)CN(CC)[C@H](C)c1cccc(C#N)c1 442687418 XYSFRXJZQQNPFA-UONOGXRCSA-N 244.382 3.987 30 20 BHED C=C[C@](C)(CC)C(=O)N1CCC(C)(CC)CC1 442953392 AIEJDIAYAUHQEH-OAHLLOKOSA-N 237.387 3.627 30 20 BHED C=CC[C@@H](C)NC(=O)[C@H](CCC)CC(C)C 449889811 RFLBZSQSMAYQJC-CHWSQXEVSA-N 225.376 3.530 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@@H](CC)CC(C)C 451626689 VKVURWVKACJIHR-QWHCGFSZSA-N 225.376 3.530 30 20 BHED CC#CCCCC(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1 457012551 SWZHDDALVYTYPS-QLFBSQMISA-N 249.398 3.511 30 20 BHED C=CCC[C@@H](CCC)NC[C@](C)(OC)C1CC1 462820805 ZHUYOSCNXZNSIT-CABCVRRESA-N 239.403 3.526 30 20 BHED CC#CCN1CCCC[C@@H]1c1cccc(C)c1C 464778866 SNBJRGDFJJVHCL-QGZVFWFLSA-N 241.378 3.854 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H]1CCc2c(O)cccc21 482553338 GDTUUWRRARXCQI-ZOWXZIJZSA-N 245.366 3.570 30 20 BHED CCCCCN(CCCCC)CC1(C#N)CC1 518203779 ZQADQIXNDCPXSD-UHFFFAOYSA-N 236.403 3.973 30 20 BHED C[C@H](F)CCSc1cccc(F)c1C#N 576768123 NNBBQEPDMCOJGU-QMMMGPOBSA-N 227.279 3.538 30 20 BHED Cc1ccc([C@@H](C)N(C)C[C@H](C)CCC#N)cc1 602437827 DGEQJIFGSFMQIH-HUUCEWRRSA-N 244.382 3.928 30 20 BHED CC(C)[C@@H](NC[C@H](C)CCC#N)c1ccccc1 602502752 NEBMKVKIZMZZOE-GDBMZVCRSA-N 244.382 3.913 30 20 BHED C=C(CC)CSCCCOC(C)(C)C 611340094 BXESRRFZHRTUSZ-UHFFFAOYSA-N 216.390 3.891 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1nc(C)cs1 623989252 PMHHHTQAYNLDBF-LLVKDONJSA-N 238.400 3.704 30 20 BHED Cc1ccccc1C=NNc1c(F)cccc1F 735618553 BRCYWCOIUQCBTG-UHFFFAOYSA-N 246.260 3.719 30 20 BHED CC(CCc1ccsc1)=NNc1ccccn1 764894216 JOUCOSATHZOYQU-UHFFFAOYSA-N 245.351 3.564 30 20 BHED C=CCCCOC(=O)[C@@H](c1ccccc1)C1CC1 765957457 HAUHVBOLVDMBJU-HNNXBMFYSA-N 244.334 3.690 30 20 BHED C=CCN(Cc1ccc(Cl)cc1C#N)C(C)C 775573351 XZXPJXGNEKPCCP-UHFFFAOYSA-N 248.757 3.608 30 20 BHED CCCCC(C)=NOCCC(F)(F)F 777459858 MKHNMTRANHBJRA-UHFFFAOYSA-N 211.227 3.522 30 20 BHED CC(C)CON=C1CC(c2cccc(F)c2)C1 781596531 ITFLGZMGISOQPY-UHFFFAOYSA-N 235.302 3.732 30 20 BHED C=C(C)COc1cccc(N[C@@H]2CC[C@@H]2C)c1 783584406 MIJKZXXFTMUYSF-SWLSCSKDSA-N 231.339 3.852 30 20 BHED C#CCCCN[C@H](C)[C@@H](C)c1ccc(Cl)cc1 792998805 CGSZYSZYIANNHC-CHWSQXEVSA-N 249.785 3.835 30 20 BHED CC[C@@H](C)CON=Cc1cnc(C(C)C)s1 793159429 OWSGAPMKYSEYIK-SNVBAGLBSA-N 240.372 3.663 30 20 BHED CC(=NNC1CC1)[C@H](C)c1ccc(Cl)cc1 794535866 WOISVHYAFNOJQL-VIFPVBQESA-N 236.746 3.571 30 20 BHED CC(C)c1nccnc1NN=C[C@@H](C)C(C)(C)C 800816986 SWHSKCRSPCZQHJ-LLVKDONJSA-N 248.374 3.680 30 20 BHED C=CCCCCCC(C)=NOCC1CC1 814243743 LTUCZQIZTVOOEA-UHFFFAOYSA-N 209.333 3.925 30 20 BHED CC(=NOCCC1CC1)c1ccc(C)s1 814246393 KOPRALLQZORRJW-UHFFFAOYSA-N 223.341 3.597 30 20 BHED C=C[C@H](OC(=O)[C@H](C)CC)c1ccccc1 851453259 PKGHZXJBYKIZGU-YPMHNXCESA-N 218.296 3.503 30 20 BHED C[C@@H](CC(C)(C)C#N)OC(=O)C1CCC=CCC1 873544921 HFAKVJFQUAWXPO-LBPRGKRZSA-N 249.354 3.604 30 20 BHED C=CC(C)(C)CC(=O)N1CC2(CCC2)[C@@H]1C(C)C 880087000 NDZUZXAPIGMDCB-AWEZNQCLSA-N 249.398 3.626 30 20 BHED C=CCC[C@H](CC)N[C@H](c1ccncc1)C1CC1 898322408 KUAGTFAZRYAARV-HOTGVXAUSA-N 244.382 3.867 30 20 BHED CCCCCCCNc1ccc2c(c1)NC(=O)C2 902187761 XAVPZNLEPPXDLO-UHFFFAOYSA-N 246.354 3.564 30 20 BHED Cc1cccc(C=NOCc2ccccc2)c1 916621025 RYKSFYKLNVPPME-UHFFFAOYSA-N 225.291 3.546 30 20 BHED C#CC[C@@H](N[C@H](C)C1(Cl)CC1)c1ccccc1 925634884 MGHQKOJYHMCWGU-TZMCWYRMSA-N 247.769 3.501 30 20 BHED CC1(C)CCC(CNCC(C)(C)CC#N)CC1 1202760887 XIMGSLPFDYXKBO-UHFFFAOYSA-N 236.403 3.732 30 20 BHED C=CCC[C@H]1CCCN1C(=O)c1cscc1C 1336238642 QZDIBLZXMKJGAA-LBPRGKRZSA-N 249.379 3.627 30 20 BHED C#Cc1cccc(NCCC(C)(C)C)c1 37731373 FWEMZLQUTJUBHA-UHFFFAOYSA-N 201.313 3.516 30 20 BHED C[C@H](NCCCCC#N)c1ccc(Cl)s1 49578537 LOKVZGNTGPXACE-VIFPVBQESA-N 242.775 3.746 30 20 BHED CC(C)c1cccc(N(C)CCCCC#N)c1 60366490 NCRALPGQHIACLO-UHFFFAOYSA-N 230.355 3.940 30 20 BHED CCCCCCCn1ccnc1[C@H](C)OCC 161477428 ALRCADQECJNXFA-ZDUSSCGKSA-N 238.375 3.951 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc(C)c(C)c1 161663598 QPORJWQZOOMUED-ZIAGYGMSSA-N 217.356 3.919 30 20 BHED Cc1ccnc(N[C@H](C)CCCC(C)C)c1C#N 162040700 NMZRFAQZGAAOPQ-CYBMUJFWSA-N 245.370 3.888 30 20 BHED C=CC[C@@H](C)NCc1ccc(Cl)cc1F 162977620 NYCKSAUCICAQEJ-SECBINFHSA-N 227.710 3.533 30 20 BHED C=CCN(C(=O)c1cccc(C)c1F)C(C)(C)C 165232098 GOHUDTCAUUVXPC-UHFFFAOYSA-N 249.329 3.561 30 20 BHED CC[C@H](N[C@H](C)CC#N)c1ccc(Cl)cc1 170806646 ZJOIESOKAWMIAQ-MFKMUULPSA-N 236.746 3.683 30 20 BHED Cc1ccc([C@H](C)NCCCCC#N)cc1C 178644054 SHRASGZEFQZXLA-AWEZNQCLSA-N 230.355 3.648 30 20 BHED CC#CCCCC(=O)NCCCCC(C)(C)C 185477248 BCNSJJKHYBVYDY-UHFFFAOYSA-N 237.387 3.513 30 20 BHED CCc1ccc(C(=O)/C=C\c2cccnc2)s1 210366927 SXNUSBVRYYDKGA-ALCCZGGFSA-N 243.331 3.602 30 20 BHED C[C@H]1CC[C@@H](C)C[C@@H]1Nc1cccc(C#N)c1 221643648 MXYRYTQYLCYMDV-XUJVJEKNSA-N 228.339 3.795 30 20 BHED C[C@@H]1CCC[C@@H](Nc2cc(F)cc(C#N)c2)C1 227607646 QHVSHCVVTGROLZ-ZWNOBZJWSA-N 232.302 3.688 30 20 BHED CC[C@H](C)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 249328061 VDDBFLVPDINBOB-YNEHKIRRSA-N 230.355 3.643 30 20 BHED Cc1cccc(OCc2ccc(F)cc2C#N)c1 260701244 BFNLEAYXCPEKSL-UHFFFAOYSA-N 241.265 3.585 30 20 BHED CC(C)N(CC[C@@H](C)F)Cc1ccc(C#N)cc1 351844591 LWXTWSHJLLDJDQ-CYBMUJFWSA-N 248.345 3.517 30 20 BHED CC(C)Cc1cccc([C@H](C)NCCCC#N)c1 353676838 XCFBSBQBUNTVOU-AWEZNQCLSA-N 244.382 3.839 30 20 BHED CN(Cc1cc(C#N)cs1)[C@@H]1CCC(C)(C)C1 355581770 KPDAOWXYJULMSB-GFCCVEGCSA-N 248.395 3.630 30 20 BHED C[C@@H](N(C)Cc1ccc(CC#N)cc1)C(C)(C)C 399022400 FTNALMFSDMLWNI-CYBMUJFWSA-N 244.382 3.619 30 20 BHED C[C@H]1C[C@@H](C)CN1CCC1(C#N)CCCCC1 411282911 JWPACTFBMGJRFX-KGLIPLIRSA-N 234.387 3.581 30 20 BHED C=C(C)C(C)(C)C(=O)N1C[C@H](C)c2ccccc21 424585996 DOOVZUZOLZMWSB-LBPRGKRZSA-N 243.350 3.739 30 20 BHED COc1ccc(C#N)cc1N[C@H]1CCC[C@H](C)C1 500978748 GZHDZRKCWRPKIE-AAEUAGOBSA-N 244.338 3.557 30 20 BHED C=C(CC)CNc1ccccc1OCC(F)F 540194661 IBRWZVBJNKDGBA-UHFFFAOYSA-N 241.281 3.709 30 20 BHED C=CCOc1cccc(CNCC(CC)CC)c1 592462113 UNWBVPFJVLFIBR-UHFFFAOYSA-N 247.382 3.777 30 20 BHED CCOc1ccc(N[C@H](C)CC(C)(C)C#N)cc1 695776328 CTLBAIADRYEFGC-GFCCVEGCSA-N 246.354 3.826 30 20 BHED CC[C@@H](C)CCNc1nc(Cl)c(C#N)s1 696142906 JDJHOLPFMZIIAJ-SSDOTTSWSA-N 243.763 3.516 30 20 BHED C=C(C)CCOC(=O)C[C@@H]1CCCC[C@@H]1C 744304675 WTQRIRHJVNGUQG-STQMWFEESA-N 224.344 3.712 30 20 BHED C#CCCCCNc1ccc2ccc(F)cc2n1 758474760 XUWRSJWWPWDULY-UHFFFAOYSA-N 242.297 3.589 30 20 BHED Cc1ccc(F)c(NN=C2CC(C(F)F)C2)c1 766025199 NIIWRSKORJOWEP-UHFFFAOYSA-N 242.244 3.577 30 20 BHED C#CCCCN1CCC[C@H]1c1ccccc1Cl 766894827 FPUPSFJJCWCAGW-HNNXBMFYSA-N 247.769 3.890 30 20 BHED CCCCCCCCN1CCC[C@@H]1c1ncc[nH]1 778226058 OAHWFIAKYLNMMZ-CQSZACIVSA-N 249.402 3.907 30 20 BHED CCCC[C@@H](CCC)OC(=O)CC(C)(C)C#N 785080579 QZYSJVSEMSWDCF-GFCCVEGCSA-N 239.359 3.828 30 20 BHED C=CCCCCCN1CC[C@@H](C(F)(F)F)C1 785766045 JTPBZTVLGZPFLO-LLVKDONJSA-N 235.293 3.617 30 20 BHED C#C[C@H](CCC)NC(=O)C[C@H](C)C1CCCCC1 791202308 JHHHMXJCJOXMSA-DZGCQCFKSA-N 249.398 3.511 30 20 BHED C[C@@H]1C[C@H]1c1ccc(C=NOC/C=C\Cl)o1 811668863 KXMDKPJNZVWFPK-LWTLDHACSA-N 239.702 3.506 30 20 BHED Fc1ccccc1NN=Cc1cccc(Cl)c1 812458363 AUERAQWAENSHRZ-UHFFFAOYSA-N 248.688 3.925 30 20 BHED CCCCCCCCC(=O)N1CCC[C@@H](F)C1 846627907 CPKOZYYTJOPHPN-CYBMUJFWSA-N 243.366 3.698 30 20 BHED C=CCN(Cc1cccs1)C(=O)/C=C\CCC 920442631 OYDHMJJOVMCBOW-TWGQIWQCSA-N 249.379 3.619 30 20 BHED C=C[C@@H](CC)CC(=O)N1CCC[C@H]1C1CCCC1 930396038 MKNRFMQHWVQQTK-ZFWWWQNUSA-N 249.398 3.770 30 20 BHED N#Cc1ccc(CSc2cccc(O)c2)s1 1189104932 XUNPTQKPPUJRON-UHFFFAOYSA-N 247.344 3.618 30 20 BHED C=CCCCCCN(C)C(=O)C(C)=C1CCC1 1324702024 HUZLSQBKVHTTFX-UHFFFAOYSA-N 235.371 3.692 30 20 BHED C=C(CC)CSCc1ccccc1C(=O)O 1588606742 HWOUZVRKUYZXAE-UHFFFAOYSA-N 236.336 3.584 30 20 BHED C=C(C)CN(CC)C(=O)Nc1cc(C)ccc1C 6636595 FVHLDQCFBHETKU-UHFFFAOYSA-N 246.354 3.733 30 20 BHED Cc1cc(C)c(C#N)c(N[C@H]2CCCC[C@@H]2C)n1 35121549 OMRVMXSDISLVOK-HZMBPMFUSA-N 243.354 3.561 30 20 BHED CC(C)CC[C@@H](C)Nc1cccc(OCC#N)c1 37069586 QOECGNVMHJRJDF-CYBMUJFWSA-N 246.354 3.826 30 20 BHED N#Cc1cc(Sc2ccccc2Cl)ccn1 61815488 GBFJKECVOHNWMR-UHFFFAOYSA-N 246.722 3.758 30 20 BHED C#CCCCCN[C@H](c1ccccc1)C1CC1 91377860 LBUYQQSHTXDAIH-MRXNPFEDSA-N 227.351 3.531 30 20 BHED Cc1ccc([C@@H](C)/N=C\c2ccccc2O)cc1 103611376 ZERIHNHHVCFEOB-GPLLRDDGSA-N 239.318 3.881 30 20 BHED C=CC[C@@H](C)NCc1ccccc1C1CC1 129768965 GULLVTAAZYJYFH-GFCCVEGCSA-N 215.340 3.618 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc(OCCC)cc1 132689958 XVEASNILKYORTJ-STQMWFEESA-N 233.355 3.701 30 20 BHED C=CCCCC(=O)Nc1cnc2ccccc2c1 175189235 TTYHZYQZOPGINI-UHFFFAOYSA-N 240.306 3.530 30 20 BHED CC[C@@H]1CCc2ccccc2N1CCCCC#N 178071265 LQGAEEFVSMAYHS-OAHLLOKOSA-N 242.366 3.912 30 20 BHED C=CCC[C@H](C(=O)N[C@H](C)CC)c1ccccc1 189361810 BSGYAHVZYLQIQI-HIFRSBDPSA-N 245.366 3.651 30 20 BHED C#CCCCCN[C@@H](c1ccc(C)cc1)C1CC1 223185995 YGKASNADOZXBGX-KRWDZBQOSA-N 241.378 3.839 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C 246096035 LROGRJQJZFDGOA-KCQAQPDRSA-N 249.398 3.696 30 20 BHED Cc1ccccc1/C=C\C(=O)c1ccsc1 255369715 WHARTLBTNRLGOG-SREVYHEPSA-N 228.316 3.953 30 20 BHED C=C(Br)CSC(CC)CC 307583017 XFOBCABIDFTBTH-UHFFFAOYSA-N 223.179 3.817 30 20 BHED C=CCC(C)(C)CN[C@H](C)Cc1ccc(F)cc1 311179669 WWRKLIFEPKLONT-CYBMUJFWSA-N 249.373 3.949 30 20 BHED Cc1ccc(SCC2(C#N)CC2)cc1C 347019964 HUWPFIXDGUFDTP-UHFFFAOYSA-N 217.337 3.699 30 20 BHED C[C@@H]1CCC[C@@H](C)N(Cc2ccc(C#N)cc2)C1 353883574 UWPQDHLOJQNXSZ-ZIAGYGMSSA-N 242.366 3.569 30 20 BHED N#CCCN1CCC[C@@H]1CCC1CCCCC1 362953366 ACGTXIYXVVFAOW-OAHLLOKOSA-N 234.387 3.725 30 20 BHED C=CCC(C)(C)CN[C@H]1CCC[C@H]1C1CC1 378847915 BGUVVBBRNQBIEV-KBPBESRZSA-N 221.388 3.757 30 20 BHED C#CCCCNc1c(C)cccc1SC 380163437 BWRKMVMXNNHVLU-UHFFFAOYSA-N 219.353 3.542 30 20 BHED CCCCC[C@H](N[C@@H](C#N)CC)C(C)(C)C 381592180 JXGZZEQRSXGSAX-OLZOCXBDSA-N 224.392 3.873 30 20 BHED C=CCC(C)(C)CNC1CCC2(CC1)CC2 382115749 MCYHPAIPFKAMBL-UHFFFAOYSA-N 221.388 3.901 30 20 BHED C=C(C)CCN[C@@H](C)c1csc(C)c1 386953193 XVZQTJZUSIECCG-NSHDSACASA-N 209.358 3.673 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccc(N(C)C)cc1 393756484 SQDCJWBURJHXMZ-HIFRSBDPSA-N 246.398 3.758 30 20 BHED C=CC[C@@H](C)[C@H](C)NCC(C)(C)c1cccnc1 414341499 VXCDZONESZYPSA-KGLIPLIRSA-N 246.398 3.550 30 20 BHED Cc1ccc(OCCC2(C#N)CCCCC2)nc1 418885958 PZJQVDRJSNILDS-UHFFFAOYSA-N 244.338 3.633 30 20 BHED C=CCCCSCCc1ccc2c(c1)CCO2 437269726 PXFKEXSJIFFFTO-UHFFFAOYSA-N 248.391 3.863 30 20 BHED CC#CCCCC(=O)NCC1(C)CCCCCC1 466265447 RZCMHLPFKJJJLO-UHFFFAOYSA-N 249.398 3.657 30 20 BHED N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 471591780 ZYSGJLNPZVNSDK-OLMNGRFOSA-N 246.398 3.627 30 20 BHED C=CCCN1C[C@H](C)C[C@@H]1c1cccc(F)c1 525783845 FWRDROAFVBYSOG-IUODEOHRSA-N 233.330 3.785 30 20 BHED C[C@@H]1CCN(CCC(C)(C)C#N)[C@@H]2CCCC[C@@H]12 537364546 WMIQGLDNGCOZBI-QLFBSQMISA-N 248.414 3.827 30 20 BHED C=CCCC[C@H](C)NC(=O)CC1=CCCCC1 538326633 SVGVVBLJQJRNCL-ZDUSSCGKSA-N 235.371 3.738 30 20 BHED C=CCN(C(=O)[C@@H](C)CC1CCCCC1)C1CC1 540133284 FCNYEIAHZBJFCW-ZDUSSCGKSA-N 249.398 3.770 30 20 BHED C=CCCN(Cc1ccccc1F)CC(C)C 567548880 WQDLMVAGCPIEJJ-UHFFFAOYSA-N 235.346 3.860 30 20 BHED C=CCCCC[C@@H](C)NCc1ncc(C)s1 573175188 XIDDSAFXHBAIBH-LLVKDONJSA-N 238.400 3.676 30 20 BHED C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1Cl 576805670 BXPFCRJRTNJABF-UTUOFQBUSA-N 248.757 3.683 30 20 BHED N#Cc1ccccc1C(=O)/C=C\c1cccs1 588618234 IWOCDNWVYKQQBU-FPLPWBNLSA-N 239.299 3.516 30 20 BHED C=CC1CCN(Cc2ccc(CC)cc2)CC1 604998621 KMLZSRNRSVHTJW-UHFFFAOYSA-N 229.367 3.647 30 20 BHED C=CCCCC[C@H](C)NCCC(C)(C)F 658191070 JLSZCYVCFIMLKM-LBPRGKRZSA-N 215.356 3.849 30 20 BHED C=CCCCCCN(C)Cc1ccc(O)cc1 679391857 AWBHAKAHHDTCEQ-UHFFFAOYSA-N 233.355 3.570 30 20 BHED C=C(C)CN(CC)C(=O)C1CCCCCCC1 741530308 LTMFKGASBYETIB-UHFFFAOYSA-N 237.387 3.772 30 20 BHED CCCCCCCCCNC(=O)/C=C\SC 751563882 OVQFJKDEDBIERD-BENRWUELSA-N 243.416 3.730 30 20 BHED C#Cc1cccc(N[C@H]2CS[C@H](C(C)C)C2)c1 754151113 XBRSWAHGYDHPNH-CABCVRRESA-N 245.391 3.610 30 20 BHED C=C(C)CCOC(=O)c1cccc(C)c1Cl 755084198 OUAVBTKFPGLVBW-UHFFFAOYSA-N 238.714 3.771 30 20 BHED CC(C[C@@H](C)CC(C)C)=NNC1CCCC1 779774491 XGFQGFWOWBLYPH-LBPRGKRZSA-N 224.392 3.967 30 20 BHED CC1=CC(=NNc2ncccc2F)CC(C)(C)C1 794980041 FCWZDFGWMOMJBJ-UHFFFAOYSA-N 247.317 3.755 30 20 BHED CCCCCCCN[C@@H]1CCC[C@@H]1CCOC 800483305 FTVWAFBBXCALGK-HUUCEWRRSA-N 241.419 3.752 30 20 BHED C(CCC1CC1)=NNc1nc2ccccc2s1 807943774 QSWPRFCETBRAQS-UHFFFAOYSA-N 245.351 3.884 30 20 BHED CC(C[C@@H](C)CC(C)C)=NN[C@H]1CCSC1 808003567 POXFTKKCFRSFHA-AAEUAGOBSA-N 242.432 3.530 30 20 BHED CC(C)=CCCC(C)=NOC/C=C\Cl 811670038 XLSWVWPHIWDBGC-DBIHJRTBSA-N 215.724 3.878 30 20 BHED FC(F)(F)c1cccc(C=NOC2CCC2)c1 812236879 YFLMXBZPBUWSFS-UHFFFAOYSA-N 243.228 3.608 30 20 BHED C(=NOCCC1CC1)c1ccc2occc2c1 814247193 VYTMDGZNZQMFID-UHFFFAOYSA-N 229.279 3.583 30 20 BHED C=C(C)CCOc1cc(F)c(Cl)cc1C=O 814783511 KGKSEYJWUPHKMN-UHFFFAOYSA-N 242.677 3.637 30 20 BHED C(CC1CCCCC1)=NOCCC1CC1 814941575 MNXYUEWEDHEKJH-UHFFFAOYSA-N 209.333 3.759 30 20 BHED CCOc1ccc(NN=C(CC)C2CC2)cc1 814983060 AWZATFIULQTPLG-UHFFFAOYSA-N 232.327 3.673 30 20 BHED N#CCCSCCSC1CCCCC1 840214824 UZOQDYZZCLUSBQ-UHFFFAOYSA-N 229.414 3.699 30 20 BHED CC(CCCCC#N)=NOCc1ccc(F)cc1 841631697 IZXWAKPUHKPIKG-UHFFFAOYSA-N 248.301 3.802 30 20 BHED C=C[C@@H](C)ON=C(C)[C@@H](C)c1ccc(OC)cc1 844622108 URXYXKITNDIIAO-VXGBXAGGSA-N 247.338 3.766 30 20 BHED C[C@@H]1CCCCN1N=Cc1cscc1Cl 853378757 CIINVJBLUMBEFU-SECBINFHSA-N 242.775 3.610 30 20 BHED Cc1cccc(NN=C[C@H]2CCC[C@H](C)C2)n1 863159814 FROJKAGUXAYZJU-AAEUAGOBSA-N 231.343 3.614 30 20 BHED C=CCC1(C(=O)N(C)c2ccsc2)CCCC1 892555033 GNGVJBXEODOSRV-UHFFFAOYSA-N 249.379 3.847 30 20 BHED C=CCC[C@H](CCC)N[C@H](C)Cc1cccnc1 897971212 WUSMHXWQNDONGP-ZBFHGGJFSA-N 246.398 3.737 30 20 BHED C=C(Cl)CN1CCC[C@H]1C1CCCCC1 917067411 GYMMHEZRNHHFDO-ZDUSSCGKSA-N 227.779 3.784 30 20 BHED C[C@H]1C[C@@H](C)C[C@H](CCN2CCC[C@@H](C#N)C2)C1 1197621813 LAIZHNSRMNZKIT-JJXSEGSLSA-N 248.414 3.684 30 20 BHED CCC(Cc1cccs1)=NOC(C)(C)C 1320325145 JATHFHKEMCZBMI-UHFFFAOYSA-N 225.357 3.872 30 20 BHED C=C(C)CCC(=O)N1CCCC[C@H]1CC(C)C 1335811954 UXXRVLMEDGXLBP-AWEZNQCLSA-N 237.387 3.770 30 20 BHED C=C(Cl)CNC(C)(C)Cc1ccc(C)cc1 1659065312 YSLGNHNXRSLGNA-UHFFFAOYSA-N 237.774 3.658 30 20 BHED C=CCOc1ccccc1-c1ccccc1 36437402 YICXPBLPCKUFMS-UHFFFAOYSA-N 210.276 3.918 30 20 BHED C[C@@H](/N=C\c1ccccc1O)c1ccccc1 103010709 KXFHUWSZKOXLFW-COOUDCDJSA-N 225.291 3.572 30 20 BHED C=CCCCOc1ccc2ncccc2c1 156960296 REPJJAOKMGNVGP-UHFFFAOYSA-N 213.280 3.580 30 20 BHED C=CC[C@H](C)N[C@H](CC)c1ccc(OC)cc1 163313074 FZQULDMMHATOBV-SWLSCSKDSA-N 233.355 3.701 30 20 BHED C=CC[C@@H](C)NC(=O)[C@H](C)CCCCCC 173800783 VUZCQOFXZDTIGG-CHWSQXEVSA-N 225.376 3.674 30 20 BHED C=C(C)CN[C@H](C)c1cccc(OC(C)C)c1 179683045 VZSJCNWOZBBPHH-CYBMUJFWSA-N 233.355 3.701 30 20 BHED C=C[C@](C)(CC)C(=O)N1CCC[C@@H](CCC)C1 188510288 FXZLLPGKYAMTQG-UKRRQHHQSA-N 237.387 3.627 30 20 BHED Cc1cccc2c1[C@H](C)/C(=C\c1cccnc1)C2=O 255562808 SHKOTDNJZFFWOW-KMHUVPDISA-N 249.313 3.773 30 20 BHED C[C@H](CC(C)(C)c1ccccc1)NCCCC#N 273296066 TYUNWDKSNRTCJK-CQSZACIVSA-N 244.382 3.636 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccc(C#N)c(F)c1 281585818 LLTIQFBPIZVMKM-RISCZKNCSA-N 246.329 3.703 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cc(C)c(C)o1 282251618 QLXQJLGHBRPHRA-MNOVXSKESA-N 207.317 3.512 30 20 BHED N#C[C@H]1CC[C@@H](Sc2cccc(F)c2)C1 296037801 PRDXVPSMIHYBCC-JOYOIKCWSA-N 221.300 3.610 30 20 BHED C=C[C@@H](C)Nc1cc(C)nc2c(OC)cccc12 301685666 UJBOUSKDTHVXLK-SNVBAGLBSA-N 242.322 3.538 30 20 BHED C=CCSCCN[C@H](CCC(C)C)C1CC1 304385152 XIMNFAXYFJOECS-CQSZACIVSA-N 241.444 3.710 30 20 BHED CC[C@H](Nc1cc(C)cc(C#N)c1)C1CCC1 308119616 DAWMQZQPQUYSRZ-HNNXBMFYSA-N 228.339 3.857 30 20 BHED C=C(Cl)CN[C@H](C)[C@@H](C)CCCC 308366656 OHMNYHCBTVOXAF-GXSJLCMTSA-N 203.757 3.543 30 20 BHED CCCCCCCSC[C@@H](C)OC 308471868 KTURPXYJPMSBHU-LLVKDONJSA-N 204.379 3.725 30 20 BHED C=C(CC)CN[C@@H](CC)c1ccc(F)cc1 313498766 GQCNZGLVPBAKIO-AWEZNQCLSA-N 221.319 3.833 30 20 BHED C=CCCCN[C@@H](CC)c1cc(F)ccc1F 341997525 UCMMJOODXFPFKQ-AWEZNQCLSA-N 239.309 3.972 30 20 BHED C=C(CC)CSc1nccn1C(C)C 358568886 KRCAXEHIHBCFAW-UHFFFAOYSA-N 210.346 3.522 30 20 BHED C=CCC[C@H](CC)N[C@@H](C)c1cncc(F)c1 359250715 WGJVKNKJSHXUEZ-FZMZJTMJSA-N 236.334 3.616 30 20 BHED CC(C)(C#N)CN[C@@H]1CCCCC12CCCC2 384000679 OLLKCQPLLPWCNO-CYBMUJFWSA-N 234.387 3.629 30 20 BHED N#CC1(CSc2ccc3c(c2)CCCC3)CC1 421841571 KZBOKZYUJSKFHR-UHFFFAOYSA-N 243.375 3.961 30 20 BHED C=CCN(C)Cc1c(Cl)oc2ccccc12 428389703 MSOKABMUQXSTPM-UHFFFAOYSA-N 235.714 3.704 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)CCCc1cccnc1 453214703 NCADYZPTTHGOEJ-GOEBONIOSA-N 246.398 3.737 30 20 BHED C=CCC[C@H](C)Nc1ccc(CN(C)C)c(C)c1 459783379 ZTNUJJNUYFLTPW-AWEZNQCLSA-N 246.398 3.823 30 20 BHED C=CCCCN(CCC)CCc1cccs1 464580972 CUWGYYCHVVLVOF-UHFFFAOYSA-N 237.412 3.969 30 20 BHED C=C[C@@H](C)NC(=O)[C@H](CC(C)C)c1ccccc1 465118872 GDXBMNZYVUNOFQ-UKRRQHHQSA-N 245.366 3.507 30 20 BHED C=CCCCCNC(=O)c1cc(C)c(F)c(C)c1 471690997 BOLQHFUZLWOXKV-UHFFFAOYSA-N 249.329 3.529 30 20 BHED C=CCCN1CCC(c2ccccc2C)CC1 544529760 MWTBFLDHRVFMST-UHFFFAOYSA-N 229.367 3.751 30 20 BHED C=CC1CCN([C@H](C)c2ccc(F)cc2)CC1 600683174 OLJPDHTZFJEJHZ-GFCCVEGCSA-N 233.330 3.785 30 20 BHED N#CCCCCNC1CCC(=C2CCC2)CC1 602541223 OKJIEAAXRZRGST-UHFFFAOYSA-N 232.371 3.693 30 20 BHED CC(C)N(CC1(CC#N)CC1)C1CCCCC1 602785808 CTDVDQYATXNKAS-UHFFFAOYSA-N 234.387 3.723 30 20 BHED C=CCCCNC1(c2ccc(F)cc2)CCC1 605150340 JULZVLMLZNTYAO-UHFFFAOYSA-N 233.330 3.761 30 20 BHED C=C[C@](C)(CC)c1nc([C@H](C)c2ccco2)no1 621795365 HMBDIICLHQUDTQ-QMTHXVAHSA-N 246.310 3.668 30 20 BHED C=C1CCN(Cc2cc3c(C)cccc3[nH]2)CC1 667601638 HUTUSROSONJTJK-UHFFFAOYSA-N 240.350 3.628 30 20 BHED CC1(C)CCC[C@H](C=NO[C@H]2CCCCO2)C1 755821156 PMGSUAGHOHYZEG-STQMWFEESA-N 239.359 3.732 30 20 BHED C#CCCCN1CCC[C@H]1c1ccc(F)c(F)c1 766901516 PMTXJQHSMVUZCH-HNNXBMFYSA-N 249.304 3.515 30 20 BHED C#CCCCN[C@H](c1ccc(F)cc1)C(C)C 766903971 AUXPUFASJSSOLN-HNNXBMFYSA-N 233.330 3.526 30 20 BHED C#CCCCCNC[C@H](CC)c1ccccc1 767372331 BHKBTDZXRVCCRO-HNNXBMFYSA-N 229.367 3.573 30 20 BHED CC[C@H]1CCCC1=NNc1nccnc1C(C)C 773090603 JBGXVZZHLBQXAA-NSHDSACASA-N 246.358 3.578 30 20 BHED CCCC(CCC)C(=O)OCCC(C)(C)C#N 776399426 VVCSSJFTYZGKDP-UHFFFAOYSA-N 239.359 3.686 30 20 BHED CCC(C[C@@H](C)CC)=NNc1ccc(OC)cn1 780267294 JJZLKSWKJCACJM-NSHDSACASA-N 249.358 3.704 30 20 BHED CC(=NOCCC1CC1)c1ccc(F)cc1C 814246601 ACSBRJJFBONEBC-UHFFFAOYSA-N 235.302 3.675 30 20 BHED C=C(C)COC(=O)c1ccc(C(C)C)nc1CC 815353924 VAWDZRWTSVMGGC-UHFFFAOYSA-N 247.338 3.500 30 20 BHED CC(CCCC(C)C)=NN[C@@H](C)C(F)(F)F 835002143 RJIGQSFOUYMLFA-JTQLQIEISA-N 238.297 3.729 30 20 BHED C=CCC1(C(=O)OCC(C)(C)CC#N)CCCC1 835304211 QXDMYERHWLTRPW-UHFFFAOYSA-N 249.354 3.606 30 20 BHED CCCCCCCC[S@@](=O)C1CCC1 840876106 KKIRHUMMJHMOQQ-CQSZACIVSA-N 216.390 3.648 30 20 BHED CCCON=Cc1cnc(C2CCCC2)s1 842558515 YAVBJGRCNDYEMP-UHFFFAOYSA-N 238.356 3.561 30 20 BHED C=C1CCC(C(=O)N2CCC3(CCC3)CC2)CC1 890889048 RCHNIKZJQNMQFG-UHFFFAOYSA-N 247.382 3.526 30 20 BHED C/C=C/C(=O)NC[C@@H](C)CCCCCCC 917872316 IDWMGRUYFSTERB-KADSFNECSA-N 225.376 3.675 30 20 BHED C[C@H](Cc1ccsc1)/N=C\c1ccccc1O 918712029 FDXKUUXLCOQVAS-PDICVPPASA-N 245.347 3.504 30 20 BHED CCCCCCCCCc1nnc(CC)o1 1255057526 ZNLMQSBCUWAXPO-UHFFFAOYSA-N 224.348 3.925 30 20 BHED Cc1ccc(NN=C[C@@H](C#N)C(C)C)cc1Cl 1322871326 FFNMIKVLMDDGML-LLVKDONJSA-N 249.745 3.842 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)CC(C)(C)CC 1337550898 MADTZQQBCFMJGS-CYBMUJFWSA-N 237.387 3.770 30 20 BHED C[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cc1F 37412574 QBHDLIAFPBLTLO-ZWNOBZJWSA-N 232.302 3.688 30 20 BHED C=C[C@@H](CC(=O)NC(CC)CC)c1ccccc1 122077878 UGLRZGTXXFIXMK-ZDUSSCGKSA-N 245.366 3.651 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc(SC)cc1 157268048 QAMAUWTWRUQWDA-WDEREUQCSA-N 221.369 3.634 30 20 BHED C=C(C)CN[C@H](CC)c1ccc(C)cc1 160633156 ROUXDAMQBRHVJZ-CQSZACIVSA-N 203.329 3.612 30 20 BHED C[C@H](S[C@@H]1CCO[C@@H]1C)c1ccc(C#N)cc1 163699699 UOBGCDWIVRAORO-UHIISALHSA-N 247.363 3.530 30 20 BHED C=CCCCCCSC1=N[C@@H](C)CS1 195444433 RNKNQRZJTNTTKL-JTQLQIEISA-N 229.414 3.957 30 20 BHED CC(C)(C#N)CCCCSC[C@H]1CCCO1 232523662 KFCPFJVMYUVVTM-GFCCVEGCSA-N 241.400 3.619 30 20 BHED CCc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1 278904733 JCELNIJWHZVBSL-CHWSQXEVSA-N 230.355 3.592 30 20 BHED C=CCCC1(C(=O)N[C@@H](C)c2ccccc2)CC1 353301898 BHIHAJMCFMUUFU-ZDUSSCGKSA-N 243.350 3.610 30 20 BHED CCC1(NCc2cc(C#N)ccc2F)CCCC1 382603626 QOHFUQKAZDGQMZ-UHFFFAOYSA-N 246.329 3.510 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccc(C)cc1O 384924072 GZBGIDVKCKCBTQ-GFCCVEGCSA-N 233.355 3.563 30 20 BHED C=C(C)CCN[C@@H](C)c1sccc1C 386829982 HQFKSUYIMPBXOS-NSHDSACASA-N 209.358 3.673 30 20 BHED C=CCC[C@H](CC)N[C@H]1COCc2ccccc21 417355472 DJNDGUUCKMUPTN-HOCLYGCPSA-N 245.366 3.592 30 20 BHED CCCOc1ccccc1OCC1(C#N)CCC1 418835799 ZXTCYKYJPARMTK-UHFFFAOYSA-N 245.322 3.548 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CC[C@@H](C2CCCC2)C1 421644904 GBRCZYAGPJBSKL-ZBFHGGJFSA-N 249.398 3.627 30 20 BHED C=C[C@H](C)N[C@H]1CC[C@H](Cc2ccccc2)C1 438199490 LORLXOVACXKJQY-IMJJTQAJSA-N 229.367 3.562 30 20 BHED CC(C)CC[C@@H](C)NC1CCC(C)(C#N)CC1 449060875 DZMDJYVCNZPOAE-WLYUNCDWSA-N 236.403 3.873 30 20 BHED C=C(CC)CNCc1cc(C)c2ncccc2c1 449733893 KWPQLIGGWRVEAB-UHFFFAOYSA-N 240.350 3.599 30 20 BHED C=CCC(C)(C)CNC(=O)[C@H]1CCC[C@@H]1CC 452141702 VSORAEACQWQCCO-STQMWFEESA-N 237.387 3.531 30 20 BHED C=CCC(C)(C)CNC(=O)[C@]1(C)CCC[C@H]1C 452426725 ZALQOHXBSUGHJD-IUODEOHRSA-N 237.387 3.531 30 20 BHED CCC(CC)CN(CCC#N)[C@@H]1C=CCCC1 484926440 OCMJSZNAHXHTGZ-OAHLLOKOSA-N 234.387 3.747 30 20 BHED C=C(CC)CNc1cc(C#N)ccc1OC(C)C 539095494 WYWZVAWETCXOEB-UHFFFAOYSA-N 244.338 3.724 30 20 BHED C=C(CC)CN(C)[C@H](C)c1ccc(F)c(F)c1 540193615 MUMTYRGOMNZHPO-LLVKDONJSA-N 239.309 3.924 30 20 BHED C=CCN(Cc1cccc(OCCC)c1)C1CC1 543621181 HDPSNAJRLFVFRG-UHFFFAOYSA-N 245.366 3.626 30 20 BHED C=CCC[C@H](C)NCC(C)(C)Oc1ccccc1 544568543 JRDUZUOPOJLTJO-AWEZNQCLSA-N 247.382 3.788 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@H]1CCC(C)=C(C)C1 566562489 OEBFVPKJMYJJBY-UONOGXRCSA-N 235.371 3.594 30 20 BHED N#Cc1ncccc1SCC1CCCCC1 569354522 OUMOYSWQDLSRDJ-UHFFFAOYSA-N 232.352 3.626 30 20 BHED C=CCCCCN1CCC[C@H]1c1ccc[nH]1 572949534 YFMQORCISYWKEI-AWEZNQCLSA-N 218.344 3.508 30 20 BHED Cc1ccc([C@H](C)CNCC(C)(C)CC#N)cc1 600165777 STJSAIAFFQQERW-CQSZACIVSA-N 244.382 3.628 30 20 BHED C[C@H](CCC#N)CN[C@H](c1cccs1)C1CC1 602507610 OTNOBWGBTGQFKK-RISCZKNCSA-N 248.395 3.729 30 20 BHED Cc1cccc([C@@H](C)NC[C@@H](C)CCC#N)c1C 602546175 PMHNPTFEBINXQK-SWLSCSKDSA-N 244.382 3.894 30 20 BHED CC(Cc1cccs1)=NNc1ccccc1F 729635476 VZPFBWMDSSFAGV-UHFFFAOYSA-N 248.326 3.918 30 20 BHED CCCCCC[C@H](C)NN=Cc1occc1C 743449769 AYJOVLSNCFIMDW-ZDUSSCGKSA-N 236.359 3.870 30 20 BHED CC(C)C=NNc1nc(-c2ccccc2)cs1 755593962 QRFZTTMLDUKLKW-UHFFFAOYSA-N 245.351 3.864 30 20 BHED CC[C@@H]1CCCC1=NOCc1ccccc1 758374066 NMMRGGSBEJDFQS-CYBMUJFWSA-N 217.312 3.769 30 20 BHED CC(C)=CCC/C(C)=C\C=NOCC(F)F 758904832 YYNQMIDNTMZQSO-OCLNWSFISA-N 231.286 3.947 30 20 BHED C#CCCCN1CCC[C@H]1c1cccc(C)c1 766896059 WBXXGIPXJJAENX-INIZCTEOSA-N 227.351 3.545 30 20 BHED CC(=NNc1nccnc1C(C)C)C1CCCC1 773092119 ZAXLFJHZDJSPJS-UHFFFAOYSA-N 246.358 3.578 30 20 BHED CCCCC(=NOCCOCC)c1ccccc1 774416265 BIESEEUIPYBKJQ-UHFFFAOYSA-N 249.354 3.634 30 20 BHED Clc1csc(C=NNC2CCCCC2)c1 782282655 IVPXSGKSOKKFQA-UHFFFAOYSA-N 242.775 3.658 30 20 BHED CCCCCC(C)=NNCCC(C)(C)C 782908320 UQILJIOXDZWHJR-UHFFFAOYSA-N 212.381 3.968 30 20 BHED CSC1(C=NNc2ccccc2Cl)CC1 800805117 JIQAABBXFVACIL-UHFFFAOYSA-N 240.759 3.633 30 20 BHED C#Cc1ccc(CNc2ccc(Cl)cc2)cc1 809597793 YTLOCCVWKOHONZ-UHFFFAOYSA-N 241.721 3.933 30 20 BHED C[C@@H]1CCC(=NNc2nccc3sccc23)C1 814809062 NZVWCSBARXMLPE-SECBINFHSA-N 245.351 3.884 30 20 BHED CSc1ccc(C=NOC/C=C/Cl)s1 814934021 ISEGIDWTVJRBSN-RQWFWRJRSA-N 247.772 3.573 30 20 BHED CCCCCCCNC(=O)[C@@H]1CCC(F)(F)C1 862357549 YCFDDNFBVXPYNN-LLVKDONJSA-N 247.329 3.508 30 20 BHED C=CCON=C(C)CCc1c[nH]c2ccccc12 872379496 BABHRXGFNVYYBA-UHFFFAOYSA-N 242.322 3.679 30 20 BHED N#C[C@H](SCc1cccc(F)c1F)C1CC1 918865641 LYOUAGCHNZEFJY-NSHDSACASA-N 239.290 3.500 30 20 BHED CCCCCCCC(=O)N[C@@H](C)CCC 935888705 TVQINNTYKIKVGW-LBPRGKRZSA-N 213.365 3.652 30 20 BHED C=C(CC)C(=O)N(CC)[C@@H](CC)c1ccccc1 1123631491 VEBBEODKRXNUJV-HNNXBMFYSA-N 245.366 3.952 30 20 BHED CCCCCCCC(=O)N1CC(C)(C)C1(C)C 1319352453 DQNYZOBXZSAWAN-UHFFFAOYSA-N 239.403 3.994 30 20 BHED C=C(CC)CSCc1cn(C)nc1C(F)F 1320453520 OJZRZOUBJMPFNR-UHFFFAOYSA-N 246.326 3.557 30 20 BHED C=CCCCCCOc1ccnc(C)c1 1327518649 QOCVKOBRWSGHPB-UHFFFAOYSA-N 205.301 3.515 30 20 BHED C[C@H]1CCCC[C@H]1Nc1ccc(CC#N)cc1 37071281 VPYVEJGSAKOPAR-SWLSCSKDSA-N 228.339 3.743 30 20 BHED CC[C@@H]1CCCN(c2cccc(F)c2C#N)CC1 79054141 WJYALDQITWHJQR-GFCCVEGCSA-N 246.329 3.714 30 20 BHED CCCCCCCNCc1ccc(C#N)cc1F 106239452 UPEPEXYVBRWTQH-UHFFFAOYSA-N 248.345 3.757 30 20 BHED C=C[C@@H](CC(=O)NCCC(C)C)c1ccccc1 121805926 DHJNRFOUWJNELY-AWEZNQCLSA-N 245.366 3.509 30 20 BHED C=CCCNC(C)(C)CCc1ccccc1 130425992 QQRCHLHMAASAOS-UHFFFAOYSA-N 217.356 3.564 30 20 BHED CC[C@H]1CCC[C@@H](Nc2nccc(C)c2C#N)C1 135081803 XVZYKOOUMSYRBR-QWHCGFSZSA-N 243.354 3.642 30 20 BHED C=CCS[C@H](C)c1nc(-c2ccccc2)no1 154931014 FMWJEJDIUMIQDW-SNVBAGLBSA-N 246.335 3.717 30 20 BHED CC[C@H](N[C@@H](C)CC#N)c1ccc(Cl)cc1 170806638 ZJOIESOKAWMIAQ-GWCFXTLKSA-N 236.746 3.683 30 20 BHED C=CCCCN[C@H](C)c1cccc(OCC)c1 180704008 OZRMKTHFCVNPSJ-CYBMUJFWSA-N 233.355 3.702 30 20 BHED CC[C@@H]1CCCC[C@H]1NCC(C)(C)CCC#N 229680856 GVSQDNWWEUGVEX-ZIAGYGMSSA-N 236.403 3.875 30 20 BHED CC(C)CCSc1cccc(F)c1C#N 230921287 ASKXZNMWQIKXOS-UHFFFAOYSA-N 223.316 3.836 30 20 BHED CCC1(CNc2nccc(C#N)c2Cl)CCC1 233009095 RMOWCUBTHVNHFC-UHFFFAOYSA-N 249.745 3.599 30 20 BHED C=CCCC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 263685033 PVNYRSDQMIRSRA-INIZCTEOSA-N 243.350 3.529 30 20 BHED C=CCCN(C)C(=O)Nc1ccc(C(C)C)cc1 276271691 HCVRZLFYEVRMGN-UHFFFAOYSA-N 246.354 3.850 30 20 BHED C[C@@H](N[C@H]1CCC12CCC2)c1ccc(C#N)cc1 282040162 FXVCOAIAUKPQKD-DOMZBBRYSA-N 240.350 3.542 30 20 BHED CC1=CCC[C@H](C)[C@@H]1CNCC(C)(C)CCC#N 342305546 VVMWYWOCBUUDPQ-LSDHHAIUSA-N 248.414 3.898 30 20 BHED Cc1c(Cl)cnc(N[C@@H](C)CC2CC2)c1C#N 343477463 OLQPCHZWPRIFNO-QMMMGPOBSA-N 249.745 3.516 30 20 BHED CC(C)(CCC#N)CN[C@@H]1CC[C@H]2CCC[C@H]2C1 344347939 HVYFLCXFVZHIQE-QLFBSQMISA-N 248.414 3.875 30 20 BHED CC(C)(CCC#N)CN[C@@H]1CC[C@@H]2CCC[C@@H]2C1 344347945 HVYFLCXFVZHIQE-RRFJBIMHSA-N 248.414 3.875 30 20 BHED C=CCCC[C@H](C)Nc1ncccc1Cl 389988827 NFNUZGDETPGMQM-JTQLQIEISA-N 224.735 3.892 30 20 BHED CC(C)Sc1ccc([C@H](C)NCCC#N)cc1 411461406 IXYPFGYXCPIQIG-LBPRGKRZSA-N 248.395 3.751 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cccc(F)c1C 424708294 NKBXHFAABCMSSH-UHFFFAOYSA-N 235.302 3.675 30 20 BHED CN(CC#Cc1cccc(Cl)c1)CC(C)(C)C 438057189 AFUHNNHBUUKOKX-UHFFFAOYSA-N 249.785 3.669 30 20 BHED C=CCC1(C(=O)N2CCCC[C@H]2C)CCCC1 449068846 UTEPIAJFUJYMRU-CYBMUJFWSA-N 235.371 3.524 30 20 BHED C=CC(C)(C)CN[C@H]1CCC[C@H]1CCCF 453310478 RDZQUJVUAVFZHD-STQMWFEESA-N 227.367 3.707 30 20 BHED CC[C@]1(C(C)C)C[C@@H]1NCC(C)(C)CCC#N 453614602 PTSFBUWPNYQTOL-DZGCQCFKSA-N 236.403 3.731 30 20 BHED C=CCCN(C)Cc1cccc(OCC(C)C)c1 467384389 WEYZACBBXGTXSA-UHFFFAOYSA-N 247.382 3.729 30 20 BHED C=CCOCCCS[C@@H](CC)CCC 477036093 SHXNJYSEQLJRIQ-LBPRGKRZSA-N 216.390 3.891 30 20 BHED C=C(C)CCN1CCC[C@H]1c1ccccc1 509855806 ZZWHCKPJDXFGPG-HNNXBMFYSA-N 215.340 3.790 30 20 BHED CC#CCN(C)[C@@H](c1ccccc1C)C(C)C 525121899 JTADPAQMUDCDJV-MRXNPFEDSA-N 229.367 3.647 30 20 BHED C=CCN(CC=C)[C@@H](C)CCc1cccc(F)c1 543058866 QVOIVBPIYYRJCB-AWEZNQCLSA-N 247.357 3.821 30 20 BHED C=CC[C@@H](C)[C@H](C)NCCCC(C)(C)COC 558257588 MRJCBRTYJIIOGT-KGLIPLIRSA-N 241.419 3.630 30 20 BHED C[C@H](CNCC(C)(C)C#N)CC1CCCCC1 612587944 HGWZHPOWISZRQK-ZDUSSCGKSA-N 236.403 3.732 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1ccc(C)nc1C 645477664 FJLFWHNMARHRQD-ZDUSSCGKSA-N 246.398 3.951 30 20 BHED C=CCC[C@@H](CCC)NCCC(C)(C)F 658192265 DTIZCMLXNVKTPE-GFCCVEGCSA-N 215.356 3.849 30 20 BHED C=CC[C@@H]1CCCC[C@H]1NCCc1ccoc1 658199010 LCEDHOFXMXRBPZ-HUUCEWRRSA-N 233.355 3.547 30 20 BHED C=CCCO[C@H](C)c1nc([C@H](C)CCC)no1 761851775 PFSZBCGYTOFGDA-GHMZBOCLSA-N 238.331 3.627 30 20 BHED CCO[C@H]1CCCC1=NNc1cc(C)ccc1C 766433918 RSIHZIXUZMYFSQ-HNNXBMFYSA-N 246.354 3.660 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@H](F)c1ccccc1 769400144 ZSTYZVGUPPTDOR-TZMCWYRMSA-N 249.329 3.558 30 20 BHED CC(=NN[C@@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1 774609309 VBBOKTFHFLFCIO-AEGPPILISA-N 234.387 3.721 30 20 BHED CCSCC(=NOC1CCC1)c1ccccc1 812236201 YGUHKFAUQJTJBM-UHFFFAOYSA-N 249.379 3.713 30 20 BHED C#CCOCSc1cc(Cl)ccc1Cl 814727558 QWLUASOQTAIUEQ-UHFFFAOYSA-N 247.146 3.693 30 20 BHED N#CCCCSCC[C@H]1CC1(Cl)Cl 818157303 OEMDFXOTZPRNAP-QMMMGPOBSA-N 238.183 3.607 30 20 BHED C=CC[C@H]1CCCC[C@@H]1OC(=O)CC(C)(C)C#N 851144600 SDZFPINXDQBAGX-STQMWFEESA-N 249.354 3.604 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1c(O)cccc1F 886605190 LMPGSBMFEQKUML-GHMZBOCLSA-N 237.318 3.537 30 20 BHED CC1CC(CSCCC(C)(C)C#N)C1 901791812 NFWKDFLCUFERBL-UHFFFAOYSA-N 211.374 3.706 30 20 BHED CC[C@H](CCc1ccccc1)NCC(C)(C)C#N 903101346 FOPWLUASVZRKCJ-OAHLLOKOSA-N 244.382 3.537 30 20 BHED C=CCN(C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)C(C)C 915153436 LJVLIVBYLANFSK-KBPBESRZSA-N 249.398 3.648 30 20 BHED CCCCCCCNC(=O)/C=C/c1ccccc1 3159971 XJKMGTXXWOFLLT-OUKQBFOZSA-N 245.366 3.786 30 20 BHED O=CCCSc1ccc(Cl)c(Cl)c1 19686165 OREIKEGFUIDVKJ-UHFFFAOYSA-N 235.135 3.675 30 20 BHED Cc1ccc(NCc2ccc(C#N)cc2F)cc1 20055961 FOIVOPJOWHTPAC-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=C(C)CSc1ccc2c(c1)OCCCO2 71063712 YRJUAYAIDHKWTO-UHFFFAOYSA-N 236.336 3.516 30 20 BHED N#Cc1ccc(Cl)cc1N[C@H]1CC=CCC1 80120369 YTJCHMVSCNSCKG-LBPRGKRZSA-N 232.714 3.732 30 20 BHED CC[C@@H]1CCC[C@H](NCc2cc(C#N)cs2)C1 93492685 IOSZIDDEBFLJDO-YPMHNXCESA-N 248.395 3.678 30 20 BHED CCCCN(CC)[C@@H](C)c1ccc(C#N)cc1 97153515 DBPWNFQZEPDAHM-ZDUSSCGKSA-N 230.355 3.741 30 20 BHED C=C(C)CS[C@@H](C)c1nc(C(C)C)no1 121808788 BRAMOVNBWNCNRE-VIFPVBQESA-N 226.345 3.563 30 20 BHED CCCCN(CCCC)c1nccc(C)c1C#N 135061501 ZHVSYGFZUVRNRR-UHFFFAOYSA-N 245.370 3.668 30 20 BHED CC1CCC(CNCc2ccc(C#N)s2)CC1 135686436 WKMODLWVRATKKL-UHFFFAOYSA-N 248.395 3.536 30 20 BHED CC(C)C1CCN(c2cccc(F)c2C#N)CC1 230914593 HDVRMXBWBYRXBB-UHFFFAOYSA-N 246.329 3.570 30 20 BHED CN(CCCCC(C)(C)C#N)CC(C)(C)C 234271389 FQOJUGVJPWXPGA-UHFFFAOYSA-N 224.392 3.684 30 20 BHED CCCCCCC[C@@H](C)NC1(CO)CCCC1 236640458 KUNVFYLVAHDLNZ-CQSZACIVSA-N 241.419 3.630 30 20 BHED FC(F)(F)C#Cc1cc(Cl)ccc1Cl 238548811 NOXCUMXJJIAPMW-UHFFFAOYSA-N 239.023 3.907 30 20 BHED CC#CC(=O)Nc1ccc(SC(C)(C)C)cc1 283064964 DFUGHGJLYODXFP-UHFFFAOYSA-N 247.363 3.539 30 20 BHED CC(C)(CNc1ccc(C#N)nc1)C1=CCCC1 312525615 NZBPWKQWLFPZHY-UHFFFAOYSA-N 241.338 3.502 30 20 BHED CCC[C@H](NCc1cccc(C#N)c1)C1CCC1 322263833 IBBIXWHVIZPZHL-INIZCTEOSA-N 242.366 3.617 30 20 BHED CC(C)[C@@H](CNCCCCC#N)c1ccccc1 354347482 KVNVNJXJZXLZPM-MRXNPFEDSA-N 244.382 3.710 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)c1cn(C)nc1C 359351950 ZADITXDGMMKHCQ-QWHCGFSZSA-N 249.402 3.514 30 20 BHED CC(C)(C#N)CCNc1ccccc1C(F)F 424577030 ZCJSKQUKOWWCMH-UHFFFAOYSA-N 238.281 3.976 30 20 BHED C=CCCN(C)Cc1ccc(C(F)(F)F)s1 432925870 BMOJEVVEPKDAIT-UHFFFAOYSA-N 249.301 3.775 30 20 BHED C=CCOCCCSCc1ccccc1C 475961977 YVQIHBCZJATCDW-UHFFFAOYSA-N 236.380 3.821 30 20 BHED C=C(C)CCSc1cccc([N+](=O)[O-])c1 509074108 HBSVSQXXYQOLMC-UHFFFAOYSA-N 223.297 3.653 30 20 BHED CC(C)(C)[C@@H]1CCCN1Cc1ccccc1C#N 513753379 CHTCJYOJAWLZRM-HNNXBMFYSA-N 242.366 3.569 30 20 BHED C=CCCN[C@@H](C)c1cc2cccc(F)c2o1 530552983 PIQWNHTYYNCESD-JTQLQIEISA-N 233.286 3.799 30 20 BHED CC(C)CN(CC#Cc1ccc(F)cc1)C(C)C 533460362 CDZQFHJDAXDFRC-UHFFFAOYSA-N 247.357 3.544 30 20 BHED C=CCCCCN1CC[C@@H](C(F)(F)F)[C@H]1C 567441317 GJVPNDYDSZKFGY-GHMZBOCLSA-N 235.293 3.615 30 20 BHED C=C(C)CCNc1ccccc1OCC1CC1 575784044 JBQDXEDDZDBVGY-UHFFFAOYSA-N 231.339 3.854 30 20 BHED CC[C@@H](C)CN(CC)[C@H](C#N)c1ccccc1 595343840 FLMBPCHQGCYNNL-UKRRQHHQSA-N 230.355 3.619 30 20 BHED C=CCCCSCc1noc(C2CCC2)n1 600620818 IRWUBVZSQJKIPS-UHFFFAOYSA-N 238.356 3.537 30 20 BHED C[C@@H](CCC#N)CN(C)[C@@H](C)c1ccc(F)cc1 602431545 SRHXXMHNNUXRGQ-STQMWFEESA-N 248.345 3.758 30 20 BHED C[C@H](CCC#N)CN(C)[C@H](C)C1CCCCC1 602650143 BLCJDNCVILXMPW-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED C=CCCCN1CCc2cc(F)ccc2[C@@H]1C 606448756 GEJPIOMQXVLOOL-LBPRGKRZSA-N 233.330 3.711 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C 650390134 NSJKOJBVBPQSAB-YWPYICTPSA-N 237.387 3.530 30 20 BHED C=CC[C@H]1CCCC[C@@H]1NCC(C)(C)OCC 657983834 YFTAWWQLAWNZFJ-KBPBESRZSA-N 239.403 3.526 30 20 BHED C=CCC1(C(=O)N[C@H](C)c2ccsc2)CCC1 669861629 LNTKSOPWZZFNAW-LLVKDONJSA-N 249.379 3.672 30 20 BHED N#Cc1ccccc1SCCCCCCCO 743454109 FLSRRMYARLWZHP-UHFFFAOYSA-N 249.379 3.593 30 20 BHED C=CCCCC(=O)Oc1cccc(C)c1C 748665029 XRXCJQBWJZUINP-UHFFFAOYSA-N 218.296 3.565 30 20 BHED CC1(C)CCC[C@H](C=NNc2ccccn2)C1 752722326 KQJKLDWBGFDQJA-LBPRGKRZSA-N 231.343 3.696 30 20 BHED CC/C=C(/C)C(=O)NCCCCCCCC 754853315 FFIOSNVQHIOIBO-QBFSEMIESA-N 225.376 3.819 30 20 BHED CC1(C)CCCC(=NOC2CCCC2)C1 774604409 WVPNNSISDNZTKV-UHFFFAOYSA-N 209.333 3.902 30 20 BHED C[C@@H]1CCC[C@H](C=NOCCC(F)(F)F)C1 777459327 ILTMIPHUECWXAR-ZJUUUORDSA-N 237.265 3.768 30 20 BHED CCCCCCC(=O)OCCCC(C)(C)C#N 782988179 UYTKVUJGBMJORD-UHFFFAOYSA-N 239.359 3.830 30 20 BHED C[C@H]1C[C@H]1c1ccc(C=NNC2CCCCC2)o1 786042886 CDJMOQBHBMZQHB-SMDDNHRTSA-N 246.354 3.659 30 20 BHED CCCCCC(C)=NNc1ncccc1F 794990916 SCOLPEYOLKQUCZ-UHFFFAOYSA-N 223.295 3.589 30 20 BHED C[C@H]1CC[C@@H](C=NNCCCc2ccccc2)C1 800812919 NRQVFESTADMUBZ-GOEBONIOSA-N 244.382 3.631 30 20 BHED C[C@@H]1CC[C@H](C=NOC2CCCCC2)C1 800816813 PLXAHINOAUKVEA-NEPJUHHUSA-N 209.333 3.758 30 20 BHED C=CCCCCOC(=O)c1ccoc1C1CC1 811010537 BOHHUSZNIWUBAP-UHFFFAOYSA-N 234.295 3.670 30 20 BHED CCC(C[C@@H](C)CC)=NNC[C@@H]1CCSC1 811661807 TYRCBOFBTDOHPU-RYUDHWBXSA-N 242.432 3.531 30 20 BHED CC(=NOCCC1CC1)C1CCCCC1 814244721 BGMMKMSBZTZBNK-UHFFFAOYSA-N 209.333 3.759 30 20 BHED C[C@H]1CCC(=NN[C@H]2CCCCC2(C)C)C1 814916469 ATNNIWYFEHHXIZ-AAEUAGOBSA-N 222.376 3.721 30 20 BHED C=C(C)CNc1ccc(C(=O)OCCCC)cc1 896378342 QZAGQVNXJLKWAN-UHFFFAOYSA-N 247.338 3.632 30 20 BHED CN(CCC1(C#N)CCCCC1)CC1CCCC1 1307433528 LMYXBGDSGJOJNJ-UHFFFAOYSA-N 248.414 3.973 30 20 BHED C=CCC[C@@H](CC)Nc1cc(C)cc(C(=O)O)c1 1602857721 WMEXIVNTWJBQNP-CYBMUJFWSA-N 247.338 3.850 30 20 BHED CC(C)c1cccc(C(C)C)c1NC(=O)CC#N 36240552 ATBQLAUXHUNNTD-UHFFFAOYSA-N 244.338 3.786 30 20 BHED C[C@@H](NCC1CCCCC1)c1cccc(C#N)c1 37255321 HBBCMLSUVLRUEK-CYBMUJFWSA-N 242.366 3.789 30 20 BHED CC[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cc1 44317505 PVEYBHUWQIOOJO-UKRRQHHQSA-N 228.339 3.939 30 20 BHED N#CCCCN[C@H](c1ccc(F)cc1)C1CCC1 104704846 MKSRVOCJNTUWCE-HNNXBMFYSA-N 246.329 3.560 30 20 BHED C=CCC[C@H](NC[C@@]1(C)CCCS1)C1CC1 121655274 ZKKBIMLVOXGRJW-UONOGXRCSA-N 239.428 3.607 30 20 BHED C=C(C)CCNc1cccc(Br)c1 168948666 HSYLUWKIYKNCNQ-UHFFFAOYSA-N 240.144 3.827 30 20 BHED C=CCCCC(=O)N(CC)Cc1ccccc1C 175243163 TVBLNSXFCIVXIW-UHFFFAOYSA-N 245.366 3.700 30 20 BHED CC1CCC(N(C)Cc2ccc(C#N)s2)CC1 179718560 QOOUUVDAUSZKOW-UHFFFAOYSA-N 248.395 3.630 30 20 BHED C=CCC[C@@H](C(=O)N(C)C(C)C)c1ccccc1 186415364 NIBRXFCJIHSWBV-OAHLLOKOSA-N 245.366 3.603 30 20 BHED O=C(/C=C\c1ccc(F)cc1)c1ccccc1F 199265125 WBWNLFXFNNQXKT-YFHOEESVSA-N 244.240 3.861 30 20 BHED CC[C@H](C)CSc1ccccc1C#N 228559321 YHWLYHZNUNIMRW-JTQLQIEISA-N 205.326 3.696 30 20 BHED C[C@H]1C[C@@H](C)CN([C@H](C)c2cccc(C#N)c2)C1 249114776 DEYMRNOTCBLISD-HZSPNIEDSA-N 242.366 3.597 30 20 BHED C=C(C)CCN1CCC[C@H]1c1ccc(COC)o1 274791503 BZKRSWSSIJGXOV-AWEZNQCLSA-N 249.354 3.529 30 20 BHED C=CCCCNc1cccc(NC(=O)OC)c1C 280530399 BUDFMUWYVLLVAR-UHFFFAOYSA-N 248.326 3.551 30 20 BHED C=CCC[C@H](NCCC(C)(F)F)c1ccco1 296634800 BOUCXWWFDLYORW-NSHDSACASA-N 243.297 3.922 30 20 BHED CC1(C)CCC[C@H]1Nc1nccc(C#N)c1Cl 300267119 VJQHBCTTYSUACG-SNVBAGLBSA-N 249.745 3.597 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCCC[C@H]1SC 300358796 AGRAWLKMISLECU-YNEHKIRRSA-N 227.417 3.605 30 20 BHED CN(c1ccc(C#N)cn1)C1CCCCCCC1 301112246 JYCOKQSOPTZNPU-UHFFFAOYSA-N 243.354 3.502 30 20 BHED Cc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1 301506296 BIWJRCKUKMXGBR-UHFFFAOYSA-N 243.697 3.659 30 20 BHED C=CCCCCNc1ncnc2sc(C)cc12 302267372 RFSJUKCGCUNSGO-UHFFFAOYSA-N 247.367 3.768 30 20 BHED C[C@H]1CCC[C@@](C=O)(C/C=C/Cl)C1 306344235 NDFVWMBHQHXRSF-RYBICEQDSA-N 200.709 3.524 30 20 BHED C=CCCNc1cc(Cl)c(OC)c(Cl)c1 308932040 JSZDDTMSKZWBRC-UHFFFAOYSA-N 246.137 3.990 30 20 BHED C=CCC[C@H](NCCC=C(C)C)C1CC1 309085725 XEMUBVIUKYPMSC-AWEZNQCLSA-N 207.361 3.677 30 20 BHED C=CCCCCN[C@H]1CS[C@@H](C(C)(C)C)C1 309666322 HYJGATZWWDBAIK-CHWSQXEVSA-N 241.444 3.853 30 20 BHED C=CCC(C)(C)CN[C@H]1CCCC[C@@H]1C 310169903 PEVDEPXDNCZOJE-STQMWFEESA-N 209.377 3.757 30 20 BHED CCCCN(CCCC#N)[C@@H]1CCC[C@@H](C)C1 339649860 VFNFAZMSEPLTGM-HUUCEWRRSA-N 236.403 3.971 30 20 BHED C=CCCCCCCNCc1nc(C)cs1 380550860 JUIZQUOWGVLIKL-UHFFFAOYSA-N 238.400 3.678 30 20 BHED CC(C)CN(CCC#N)C[C@@H](C)c1ccccc1 384600211 NOZUFADSQHHWFD-OAHLLOKOSA-N 244.382 3.662 30 20 BHED CCc1ccc(Nc2cccc(C#N)n2)cc1C 385317800 HRODNBGFSCIPAN-UHFFFAOYSA-N 237.306 3.568 30 20 BHED C[C@@H](NCCCCC#N)[C@@H]1C[C@H]1c1cccs1 417300308 AKTKPDZCOKDOCK-FRRDWIJNSA-N 248.395 3.524 30 20 BHED CC(C)C[C@H](C)C[C@H](C)N[C@@H]1CC[C@H](C#N)C1 424337555 ZLTCFIBDJRPNHM-ZQDZILKHSA-N 236.403 3.729 30 20 BHED C=CCC(C)(C)C(=O)N[C@H](C)CCC(C)C 429838995 IPKIAHFOKLFFPM-GFCCVEGCSA-N 225.376 3.530 30 20 BHED CC(C)[C@@H]1CN(CCCC#N)c2ccccc21 447396529 KRARDCTVPNUDBP-AWEZNQCLSA-N 228.339 3.550 30 20 BHED C=CCC1(CN[C@@H](C)C2CC2)CCCC1 449606788 RZUYZIBMJCNTLB-LBPRGKRZSA-N 207.361 3.511 30 20 BHED CC#CCCN(Cc1ccco1)c1ccccc1 462320859 SPZJVJHNIIXMLA-UHFFFAOYSA-N 239.318 3.700 30 20 BHED CC#CCCS[C@H](C)c1ccccc1OC 462410996 CBMHZTDXCXLSRE-GFCCVEGCSA-N 234.364 3.903 30 20 BHED C=CCCN(C)C(=O)C[C@H](CC)CCCC 466643452 UYQVNYSDKIMDDN-CYBMUJFWSA-N 225.376 3.627 30 20 BHED CC#CCN[C@@H](c1ccccc1)c1ccc(C)cc1 494714998 KTPXRBXYALRRMK-SFHVURJKSA-N 249.357 3.697 30 20 BHED C=CCN(CC=C)C(=O)C[C@H](C)C1CCCCC1 497882756 YXMLLXNHOAJLNJ-AWEZNQCLSA-N 249.398 3.794 30 20 BHED C=CC1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 538730420 KBIPNYXMQVYSDF-SWLSCSKDSA-N 245.366 3.801 30 20 BHED C=CCOCCN(c1ccccc1)C1CCCC1 559144026 GCKBTDLNEXSMPE-UHFFFAOYSA-N 245.366 3.638 30 20 BHED Cc1cccc([C@@H](C)N2CCC[C@@H](CC#N)C2)c1 595617297 YDJOKQKJRIZODT-CABCVRRESA-N 242.366 3.682 30 20 BHED C=CC[C@@H](CC)NC(=O)C[C@H](C)CC(C)(C)C 684939820 WNPRHLYCRGWVHL-QWHCGFSZSA-N 239.403 3.920 30 20 BHED C#CCCCNCc1ccccc1-c1ccccc1 742385135 RJCCNHKVYKTBQB-UHFFFAOYSA-N 249.357 3.857 30 20 BHED CCC(=NNc1cccc(C)c1)C1CCOCC1 745193307 MVIQEZIUACHLQQ-UHFFFAOYSA-N 246.354 3.600 30 20 BHED C#C[C@H](CC)NC(=O)[C@@H](CCC)CC1CCCC1 754683412 WKTMRFUHJHKMHT-LSDHHAIUSA-N 249.398 3.511 30 20 BHED CC[C@H]1CCCC1=NNc1c(F)cccc1F 758371305 WMKYJACARDAUJT-VIFPVBQESA-N 238.281 3.943 30 20 BHED Cc1cccc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)c1 762408320 CWWPQFBQZCQTBZ-IHRRRGAJSA-N 228.339 3.829 30 20 BHED CC(=NNc1ccc(C)cc1)c1sccc1O 769766583 OJWZSZVKEOJRHX-UHFFFAOYSA-N 246.335 3.598 30 20 BHED c1ccc([C@@H]2CCC2=NOC2CCCC2)cc1 769799333 UIACPGHEDPRVMU-AWEZNQCLSA-N 229.323 3.879 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cc2ccccc2[nH]1 775632330 LUHZQWJYCUPOGV-VXGBXAGGSA-N 228.339 3.783 30 20 BHED CC#CCCNC(=O)[C@H](CC)CCCCCC 779376503 OTTQBNKWAXUGMB-CQSZACIVSA-N 237.387 3.513 30 20 BHED C#CCCCCCC(=O)N1CCC[C@@H](CC)CC1 779917122 ZMISWBSPFGKFGA-OAHLLOKOSA-N 249.398 3.609 30 20 BHED Cc1cccnc1NN=C1CCCCC1(C)C 790185601 HFLVVPYQMFESBV-UHFFFAOYSA-N 231.343 3.758 30 20 BHED Fc1ccccc1NN=C1CCC12CCC2 799874403 KDOTVBPTXCOZFN-UHFFFAOYSA-N 218.275 3.558 30 20 BHED CC[C@@H](SCCO[C@@H](C)C#N)c1ccccc1 801657933 LWHGKNLGDFPSBU-GXTWGEPZSA-N 249.379 3.800 30 20 BHED C=CCCCCCCNC(=O)C=C1CCCC1 805218677 JNEBKHMXGMKIGH-UHFFFAOYSA-N 235.371 3.740 30 20 BHED CC(=NOC/C=C\Cl)c1ccccc1Cl 811670633 XIBCCGPJWHPNLU-LIMBZAAPSA-N 244.121 3.833 30 20 BHED C=C(CC)CN[C@@H](CC)c1ccc(F)cc1O 834904145 VPIPQKQAJODZMO-ZDUSSCGKSA-N 237.318 3.538 30 20 BHED Cc1ccc2c(c1)CC[C@@H]2NCC(C)(C)CC#N 840785548 INCPZENZNWFEQO-HNNXBMFYSA-N 242.366 3.512 30 20 BHED CCC(=NNc1cccc(Cl)n1)[C@H]1C[C@@H]1C 841642105 GLVDCURBGWXXBQ-IUCAKERBSA-N 237.734 3.569 30 20 BHED C=C[C@@H](C)ON=C(C)c1csc(C(C)C)n1 844622179 WCDCOTAUXPUHOL-SECBINFHSA-N 238.356 3.582 30 20 BHED CCC(CC)OC(=O)CC1(C#N)CCCCC1 849906873 LCPGQZPPBGHKHF-UHFFFAOYSA-N 237.343 3.582 30 20 BHED CC(CCC(C)C)=NNc1cccc([N+](=O)[O-])c1 916269111 RSMWNUYNLWPBKE-UHFFFAOYSA-N 249.314 3.819 30 20 BHED CC(C)(C)ON=C/C=C/c1ccccc1 1116404960 RQGAJYGIVQRCJK-BXOUXZMXSA-N 203.285 3.501 30 20 BHED C=C(Cl)CN[C@]1(C)CCCc2ccccc21 1459816031 VOIOFLFANQQRGF-CQSZACIVSA-N 235.758 3.580 30 20 BHED C=C(CC)C(=O)N[C@@H](C)c1ccc(C2CC2)cc1 1548722064 VETPIKPSKUJLEL-LBPRGKRZSA-N 243.350 3.707 30 20 BHED CC[C@H](S)c1cc(Br)ccc1O 20476525 AUPXVABASQMENH-VIFPVBQESA-N 247.157 3.536 30 20 BHED C=C(Cl)CN[C@@H](C)c1ccc(Cl)cc1 42224775 NMDHOPUOVZNDRW-VIFPVBQESA-N 230.138 3.743 30 20 BHED C[C@@H]1CCC[C@H](Nc2cccc(C#N)c2)[C@@H]1C 85085094 PRFLKBDIDORONR-JMSVASOKSA-N 228.339 3.795 30 20 BHED Cc1ccc(Nc2snc(C)c2C#N)cc1F 92912260 ULARYOCTLCQTAU-UHFFFAOYSA-N 247.298 3.514 30 20 BHED C=CCCCSc1nccc(C(F)(F)F)n1 117550579 HWNWOIOFBOHLBG-UHFFFAOYSA-N 248.273 3.554 30 20 BHED C=CCC[C@H](C)Nc1ccc(CC#N)cc1 130779983 YFCUBELSTQJFOJ-LBPRGKRZSA-N 214.312 3.519 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc(C)c(C)c1 161663694 QPORJWQZOOMUED-KGLIPLIRSA-N 217.356 3.919 30 20 BHED CC(C)(C)CN(CCC#N)Cc1ccccc1F 171939426 SYXMBMVDNZWRRF-UHFFFAOYSA-N 248.345 3.587 30 20 BHED C=CCCCC(=O)Nc1ccc(CSC)cc1 175538650 FWKJXVGEPPVDHH-UHFFFAOYSA-N 249.379 3.844 30 20 BHED CC(C)C[C@H](NCC#N)c1ccc(Cl)cc1 179716819 AEBAMLDJMQTJSK-ZDUSSCGKSA-N 236.746 3.540 30 20 BHED C=CCCCOc1ccc([C@@H]2CCOC2)cc1 190309969 CXOJTYQRGQXVKI-CQSZACIVSA-N 232.323 3.536 30 20 BHED C=CCCCOc1ccc2c(c1)C(=O)CCC2 232596039 HUJHBISDUBDEIL-UHFFFAOYSA-N 230.307 3.551 30 20 BHED CCCC[C@@H](CC)CNc1nccc(C)c1C#N 233062785 ZYIQTYVOHKLJGN-CYBMUJFWSA-N 245.370 3.890 30 20 BHED C=C(Cl)CNC[C@@H](C)c1cccc(Cl)c1 308928775 DTFZVGCREDAWNH-SECBINFHSA-N 244.165 3.786 30 20 BHED CC[C@@H](CC#N)N[C@H]1CCCC12CCCCC2 313096443 DRAGTVOSKUPUSM-KBPBESRZSA-N 234.387 3.771 30 20 BHED C[C@H]1CC[C@@H](C)N1CCCCC(C)(C)C#N 336671609 ZQKFWOXWAADXHO-BETUJISGSA-N 222.376 3.579 30 20 BHED C=C(CN[C@@H](C)c1cncs1)c1ccccc1 346781211 QAHUHFSHAGYZNQ-LBPRGKRZSA-N 244.363 3.507 30 20 BHED CN(Cc1ccccc1C#N)[C@H]1CCC(C)(C)C1 355588712 XTGGIYJYVMHKLA-HNNXBMFYSA-N 242.366 3.569 30 20 BHED N#Cc1cccc(SCCOC2CCCC2)c1 431942676 SJPNEVLFWFSQFU-UHFFFAOYSA-N 247.363 3.610 30 20 BHED C[C@H]1CC[C@@H](C)C[C@H]1NCC(C)(C)CCC#N 449334740 XXKGINIBMHZVKG-HZSPNIEDSA-N 236.403 3.731 30 20 BHED C=CCC1(NCc2cncs2)CCCCC1 449576469 UDBMIZOWUJOFMH-UHFFFAOYSA-N 236.384 3.512 30 20 BHED C=CCC1(NC(=O)C2CCCC2)CCCCC1 456377500 GIMKUVDMURPJJB-UHFFFAOYSA-N 235.371 3.572 30 20 BHED C=C(C)CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 558742630 PIORSIHYFBZLEM-BJWYYQGGSA-N 241.378 3.973 30 20 BHED C=CCCc1ccccc1NC(=O)C[C@H]1C[C@@H]1C 564506649 RJZQADPHUYHIPU-GXTWGEPZSA-N 243.350 3.790 30 20 BHED CC[C@@H](CC#N)N[C@@H]1CCc2c(Cl)cccc21 568181591 XUDVMUMQIAMNQP-IINYFYTJSA-N 248.757 3.609 30 20 BHED O=C(/C=C\c1sccc1Cl)c1cccnc1 588601519 SUOQOXAYKFLTPO-ARJAWSKDSA-N 249.722 3.693 30 20 BHED CC(C)(C)c1cccc(OCCC#N)c1Cl 594716739 VBGMIRYIQWESCG-UHFFFAOYSA-N 237.730 3.930 30 20 BHED C=C(C)CN(C)C(=O)CCCC[C@@H](C)CC 680042496 UIZDJVPIAUCGPV-ZDUSSCGKSA-N 225.376 3.627 30 20 BHED C[C@@H](CC(C)(C)C#N)NCC(C)(C)C1CCC1 695871437 KLAMZHLMLBELPA-LBPRGKRZSA-N 236.403 3.731 30 20 BHED CCc1ccccc1NN=C1CCC[C@@H]1C 729141617 BGGPGQBRSOUQLI-NSHDSACASA-N 216.328 3.837 30 20 BHED CCCCCCCCNC(=O)[C@@H]1CC12CCC2 754850364 MQGQQBXKSTXAME-ZDUSSCGKSA-N 237.387 3.653 30 20 BHED C#CC[C@H](N[C@H](C)CCC=C)c1ccccc1 756777569 ZTYYDWVYYGGXRS-ZBFHGGJFSA-N 227.351 3.695 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H](F)c1ccccc1 769400139 ZSTYZVGUPPTDOR-GXTWGEPZSA-N 249.329 3.558 30 20 BHED CCCCCCN1CCCC(C)(C)[C@H]1C#N 769892904 KREPXZSQBICFHZ-CYBMUJFWSA-N 222.376 3.581 30 20 BHED CC(=NN[C@@H]1C[C@H]2CC[C@H]1C2)c1sccc1C 774606046 DVUBCLXAIZLFAP-RWMBFGLXSA-N 248.395 3.559 30 20 BHED C=CCCC[C@H](C)NC(=O)C=C1CCCCC1 775924493 AQOHCQVOXAGMMX-ZDUSSCGKSA-N 235.371 3.738 30 20 BHED CC(C)(C#N)CCOC(=O)/C=C\C1CCCCC1 776387928 YNPCXZXDACGATP-HJWRWDBZSA-N 249.354 3.606 30 20 BHED CC1(C)CCCC1=NOCCC(F)(F)F 777462713 IOSCEVNKGWJWOM-UHFFFAOYSA-N 223.238 3.522 30 20 BHED C=C(Cl)CN1CC[C@@H](c2cccc(C)c2)C1 784481790 REGNIRGRUPCLJY-CQSZACIVSA-N 235.758 3.537 30 20 BHED CC[C@H](C)[C@H](C)C(=O)OCCCC(C)(C)C#N 784614380 QRIDMGLMOGSMJP-RYUDHWBXSA-N 239.359 3.542 30 20 BHED CC[C@H](C)NN=C1CCCC[C@H]1C(C)C 790186069 AMDBFIKZHIAHBO-RYUDHWBXSA-N 210.365 3.577 30 20 BHED C[C@@H](NN=C1CCCC1(C)C)C(C)(C)C 793116496 SVPMOUFWSKOJIF-SNVBAGLBSA-N 210.365 3.577 30 20 BHED Fc1cccc(NN=CCC2CCCCCC2)n1 795007453 GERZVZNPFWYKMH-UHFFFAOYSA-N 249.333 3.979 30 20 BHED C=CCN(C(=O)[C@H]1CCC[C@@H]1CCC)C(C)C 823096712 JBJWEVFHDLILLH-KBPBESRZSA-N 237.387 3.626 30 20 BHED Cc1nc(S[C@H]2CC[C@@H](C#N)C2)sc1C 829227384 NCIXVNWQJUHXFK-ZJUUUORDSA-N 238.381 3.544 30 20 BHED CC(C)ON=Cc1ccc(C(F)(F)F)s1 835003456 UOFMUWHGMREVDN-UHFFFAOYSA-N 237.246 3.526 30 20 BHED C=CC[C@@H]1CCCCC1=NOCC1CC1 853349314 VEZKUAGUZHHQQQ-GFCCVEGCSA-N 207.317 3.535 30 20 BHED FC(F)c1ccc(C=NOCC2CCC2)cc1 853441211 QRDNEICHQHAQOV-UHFFFAOYSA-N 239.265 3.775 30 20 BHED CC(=NNc1ccc2ccccc2n1)C(C)C 916285700 AXQMHUFFRKDUFE-UHFFFAOYSA-N 227.311 3.679 30 20 BHED C=C[C@@H](C)N[C@H](C)c1coc2ccccc12 925262551 NMJNEYWGCFBRCU-GHMZBOCLSA-N 215.296 3.658 30 20 BHED C=C[C@@H](CC)CC(=O)N(C)[C@H](C)c1ccccc1 929530887 PZEQJRMZQBZIBZ-KGLIPLIRSA-N 245.366 3.808 30 20 BHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)C1CCCCCC1 1193262088 ZDBMAFXHZOCDQY-GUTXKFCHSA-N 234.387 3.627 30 20 BHED C[C@H](CCC(C)(C)C)Nc1cccc(CC#N)n1 1320656915 YUJMLNRVLHJJIH-GFCCVEGCSA-N 245.370 3.774 30 20 BHED C=CCC1(c2nnc([C@H](C)CC)o2)CCC1 1325797023 CDBRTCJBFAOFSS-SNVBAGLBSA-N 220.316 3.581 30 20 BHED Fc1ccc(CCC=NOCC2CCC2)cc1 1350474499 QOABYXOCAQFNPA-UHFFFAOYSA-N 235.302 3.561 30 20 BHED CC(C)C[C@@H](C)CN1CCCC(C)(C)[C@H]1C#N 1460060732 RIAJHZMGIZPDTD-ZIAGYGMSSA-N 236.403 3.683 30 20 BHED C=CCCCN[C@H](C)c1ccc(C)cc1 70592041 BSCVALYTOYUNKH-CYBMUJFWSA-N 203.329 3.612 30 20 BHED Cc1nsc(NC2CCCCCCC2)c1C#N 92912210 BBIKTKHLKMSCAO-UHFFFAOYSA-N 249.383 3.848 30 20 BHED N#CCCCNC1(c2ccc(Cl)cc2)CCC1 104707585 NMDKMMVVWIJZNU-UHFFFAOYSA-N 248.757 3.613 30 20 BHED C=CCCCC(=O)N1CCC[C@@H](CC(C)C)C1 177106459 JQAILVANWJIFMG-AWEZNQCLSA-N 237.387 3.627 30 20 BHED CCCCCCCCCN[C@@H]1CCOC[C@@H]1C 192128650 LFYMWIJVDGEHGN-LSDHHAIUSA-N 241.419 3.752 30 20 BHED C=C(Cl)CN[C@@H](C)c1csc(Cl)c1 230410781 KDTMMMGWWMNTRW-ZETCQYMHSA-N 236.167 3.805 30 20 BHED C[C@H](NC[C@H]1CCC[C@@H]1C)c1ccc(C#N)cc1 230659523 LTHADFNVNPUBJJ-HEHGZKQESA-N 242.366 3.645 30 20 BHED N#CCCCNC1CCC(c2ccccc2)CC1 273202232 RNYKONFKVSMPMN-UHFFFAOYSA-N 242.366 3.606 30 20 BHED Cc1cc(Oc2ccc(C#N)c(C)n2)ccc1F 336788653 HMCDIQDXKJYTGU-UHFFFAOYSA-N 242.253 3.502 30 20 BHED C=CC[C@@H](CC)Nc1ncnc2oc(C)c(C)c12 344550630 KKPHJMRTCBZGMA-LLVKDONJSA-N 245.326 3.606 30 20 BHED Cc1ccc(/C=C\c2ccncc2C#N)c(C)c1 347455571 XJNIKFBIPALFAO-WAYWQWQTSA-N 234.302 3.741 30 20 BHED C[C@H]1CCCCN1CC#Cc1cccc(Cl)c1 448450510 ARDKMBZOEKRNDR-ZDUSSCGKSA-N 247.769 3.566 30 20 BHED C=CCCC1(C(=O)N(CC)C[C@H](C)CC)CC1 476232801 YFEANLKPOLUBNO-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=CCCC(=O)N1CCC[C@H]1CCC1CCCC1 488324814 DERMXMRILCDHGB-HNNXBMFYSA-N 249.398 3.914 30 20 BHED C=C[C@H](C)N[C@H]1CC=C(c2ccc(F)cc2)CC1 498766959 LGNFEFMNGACEMX-LRDDRELGSA-N 245.341 3.926 30 20 BHED C=C(C)CCSc1nc2ccccc2[nH]1 505488294 TTXKEOMPQABMPB-UHFFFAOYSA-N 218.325 3.621 30 20 BHED C=C(C)CCOc1cc(F)cc(F)c1C(C)=O 505540249 MQGLAWDKLLYENY-UHFFFAOYSA-N 240.249 3.512 30 20 BHED C=CCN(CCC(=C)C)Cc1cccc(C#N)c1 509292909 DDPINRPNVYGXCN-UHFFFAOYSA-N 240.350 3.512 30 20 BHED C=CCC(C)(C)c1noc(-c2ccccc2)n1 551498371 YQEPHBMJQXKDOX-UHFFFAOYSA-N 228.295 3.590 30 20 BHED N#C[C@@H]1CC[C@@H](N[C@H]2CCCCC23CCCC3)C1 556179597 TXSRFUVFKVYFMV-KFWWJZLASA-N 246.398 3.771 30 20 BHED CC(C)(CC#N)CSc1nc2ccccc2o1 563439743 LVPKCZNBCYTBRW-UHFFFAOYSA-N 246.335 3.860 30 20 BHED C=CCCCCNC1(c2cccc(OC)c2)CC1 565991538 FOJCKINCENQXLN-UHFFFAOYSA-N 245.366 3.630 30 20 BHED Cc1cc(F)cc(NC(=O)CCCCCC#N)c1 588162083 HXDFWCWPAXIWED-UHFFFAOYSA-N 248.301 3.547 30 20 BHED C=C(C)CCNc1cc([N+](=O)[O-])c(C)cc1C 589055616 WVSTVAOUYXWALV-UHFFFAOYSA-N 234.299 3.590 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H]1CCC[C@@H]1CC 620855778 JGKLIKLNJPNPIW-STQMWFEESA-N 237.387 3.674 30 20 BHED C=CCCNC(=O)Nc1ccc(C2CCC2)cc1 666915695 DNCGUQJDQOGSBH-UHFFFAOYSA-N 244.338 3.652 30 20 BHED C=CC[C@@H](N[C@@H]1CCC(C)(C)C1)c1ccncc1 753669721 NJIUBCGQAOBJQO-HUUCEWRRSA-N 244.382 3.867 30 20 BHED CC(=NOC1CCCC1)c1cccc(C)c1C 774609279 WGBGEFXLEMQMNX-UHFFFAOYSA-N 231.339 3.987 30 20 BHED Cc1cc(C(=O)/C=C/c2cccc(F)c2)oc1C 799896787 KHLYQEHUZFWYFV-VOTSOKGWSA-N 244.265 3.932 30 20 BHED C=CCCCCCCNC(=O)/C(C)=C\CC 805218826 MMZNPWBMRHFLLI-QBFSEMIESA-N 223.360 3.595 30 20 BHED FC(F)(F)CNN=C1CCCC12CCCCC2 834968471 DGQOJCQWVISVEE-UHFFFAOYSA-N 248.292 3.629 30 20 BHED CCCC(=NOC)c1cc(C)sc1C 863079587 SGSLGIPKGHBHST-UHFFFAOYSA-N 211.330 3.516 30 20 BHED F[C@H]1CCCC1=NNc1ccc2ccccc2n1 872327804 LEFRPWLKWQGULR-NSHDSACASA-N 243.285 3.525 30 20 BHED C=C[C@H](CC)CC(=O)Nc1c(C)cccc1F 935254192 XFPDMRBCXFLRIY-LLVKDONJSA-N 235.302 3.675 30 20 BHED COc1ccc([C@H](C)S[C@H](C#N)C2CC2)cc1 1165587751 XTQUFNQPPCATGY-IINYFYTJSA-N 247.363 3.792 30 20 BHED CCCCCCCNC(=O)C1(C(C)(F)F)CC1 1332913337 HPJWFEPKSMQZQX-UHFFFAOYSA-N 247.329 3.508 30 20 BHED Cc1ccccc1Sc1ncc(C#N)cc1F 1472666420 NARXFHLTAAPLKQ-UHFFFAOYSA-N 244.294 3.552 30 20 BHED C=C(CC(C)C)C(=O)N(C1CCC1)C1CCC1 1520200205 MXIPWHDDSDXZIK-UHFFFAOYSA-N 235.371 3.522 30 20 BHED C=CCCCOc1cc([N+](=O)[O-])ccc1Cl 86453384 MGMQOUCBGPOHKS-UHFFFAOYSA-N 241.674 3.593 30 20 BHED Cc1ccc(/C=C/C(=O)c2ccncc2)cc1C 90624515 CHLWXZQEALNAFF-AATRIKPKSA-N 237.302 3.595 30 20 BHED CCCCCCCCC(=O)N[C@H](C#N)CCC 112204228 UAWNRGYMPRTAQB-ZDUSSCGKSA-N 238.375 3.545 30 20 BHED C=CC[C@H](C)NC(=O)c1ccc2ccccc2c1 116858303 ZIUXMDRYWRVIED-LBPRGKRZSA-N 239.318 3.534 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc(CC)s1 161672359 OMSWKVNXIUCUMD-QWRGUYRKSA-N 223.385 3.926 30 20 BHED CC(C)CN(Cc1ccc(F)cc1C#N)C(C)C 171376866 RXJUIOSPJRIFDG-UHFFFAOYSA-N 248.345 3.564 30 20 BHED CCC[C@@H](C)C(=O)O[C@H](C)c1ccc(C#N)cc1 175789760 ITVBOSKBZBSLDO-VXGBXAGGSA-N 245.322 3.599 30 20 BHED C#CCCCN[C@@H](CC)c1ccc(Cl)s1 178061469 ZKRDBUZBOKZQBT-JTQLQIEISA-N 241.787 3.856 30 20 BHED CC(C)CC[C@H]1CCC[C@@H]1NCCCCC#N 178642523 HIBLLOCTAGPJTG-CABCVRRESA-N 236.403 3.875 30 20 BHED C=CCC[C@@H](NCCCC#N)c1ccccc1 180049878 KQDBZEOMOOLFCH-OAHLLOKOSA-N 228.339 3.587 30 20 BHED N#C[C@H]1CCC[C@H](NCCCC2CCCC2)C1 185752360 KGQDLKSCDNKWHY-GJZGRUSLSA-N 234.387 3.629 30 20 BHED C=CC[C@H](C)NC(=O)c1ccc(C2CCC2)cc1 191880915 SVPKAFOHHRTIKY-LBPRGKRZSA-N 243.350 3.649 30 20 BHED C#CCCCC(=O)N[C@@H]1CCC[C@@H]1CCC(C)C 192109346 NSVGCAWUNKKGKU-HUUCEWRRSA-N 249.398 3.511 30 20 BHED CC(C)CN(C/C=C\c1ccccc1)CCC#N 218744816 FKLRREGHNNRGFY-POHAHGRESA-N 242.366 3.571 30 20 BHED CCC1(CNc2nc(C)ccc2C#N)CCCC1 231630720 AFHPCXSCBNPNOF-UHFFFAOYSA-N 243.354 3.644 30 20 BHED C=CCC[C@H](CC)NCCCc1ncccc1C 295139514 ZOMALYKQFAPRNI-HNNXBMFYSA-N 246.398 3.657 30 20 BHED C#CCCSc1cc(Cl)ccc1F 306447794 UYYBICCZBQRMRH-UHFFFAOYSA-N 214.692 3.595 30 20 BHED CC[C@@H](C)[C@@H](C)Nc1cc(C)cc(C#N)c1 308109766 UMHUUEDNXXOFPS-VXGBXAGGSA-N 216.328 3.713 30 20 BHED C=CCCCCN[C@H]1Cc2ccc(Cl)cc2C1 310178153 MSWPWNOFPQVDAI-HNNXBMFYSA-N 249.785 3.753 30 20 BHED C=CCCCCN[C@@H](C)c1cccc(OC)c1 310275871 JNSNGWRPQZKTOV-ZDUSSCGKSA-N 233.355 3.702 30 20 BHED C=C(CC)CNCc1ccccc1OC(C)C 313535280 LJQLFULGVJARPV-UHFFFAOYSA-N 233.355 3.530 30 20 BHED C=C(CC)CN[C@H](C)c1csc(C(C)C)n1 336779631 OYVICBAUKYRFDW-LLVKDONJSA-N 238.400 3.883 30 20 BHED C[C@H]1CCC[C@@H]1Nc1c(Cl)cccc1C#N 390528162 HPSAYIVJSDGRDZ-CABZTGNLSA-N 234.730 3.812 30 20 BHED CC1(C)CCCN(CCC2CCCC2)[C@H]1C#N 444725579 BDAQFPLYYOYXAR-AWEZNQCLSA-N 234.387 3.581 30 20 BHED N#CCc1cccc(NCC2=CCCCC2)c1 453144740 KYBAHUULOMUHDP-UHFFFAOYSA-N 226.323 3.665 30 20 BHED C=C(CC)CN[C@@H](C)c1ccc2ccccc2n1 453357766 LMTZZMYYJXHXJR-ZDUSSCGKSA-N 240.350 3.852 30 20 BHED C=CCCC1(c2nc(-c3cccs3)no2)CC1 584494765 YJYKUDTUMPNYMA-UHFFFAOYSA-N 246.335 3.796 30 20 BHED CCCC[C@H](C)N(C)CCc1ccc(C#N)cc1 595489924 KKDPDIITFJNBGP-AWEZNQCLSA-N 244.382 3.611 30 20 BHED Cc1cccc(C)c1[C@H]1CCCN1CCCC#N 595599940 CJHVLXZPMLWCLV-OAHLLOKOSA-N 242.366 3.744 30 20 BHED N#C[C@H](Sc1cc(Cl)ccc1F)C1CC1 601082441 GWVFQUHFCSQNLE-NSHDSACASA-N 241.718 3.873 30 20 BHED C=CCCCN1CCC[C@H]1c1cccs1 605149633 HTIYXWBZNMQRIW-LBPRGKRZSA-N 221.369 3.851 30 20 BHED C=C(C)CCc1noc([C@H](C)C2CCCC2)n1 671670986 XITKGMHFDWLLFZ-LLVKDONJSA-N 234.343 3.872 30 20 BHED CCC(CC)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 734366436 RPVMLLHHNSDTKA-ZZVYKPCYSA-N 234.387 3.577 30 20 BHED C=CCCOC(=O)/C=C(/CC)c1ccc(C)cc1 744049163 KLBKNIPSFRESQO-OWBHPGMISA-N 244.334 3.908 30 20 BHED C=C(C)CCOC(=O)c1ccc(SC)cc1 744302818 ANKZTQBVRHHBEJ-UHFFFAOYSA-N 236.336 3.532 30 20 BHED CC(=NOCC(C)C)[C@@H](C)c1ccccc1 749636342 FPAWQBPDRFHEQM-GFCCVEGCSA-N 219.328 3.839 30 20 BHED CC(CC1CCCC1)=NNc1ccc(F)cn1 752730251 LFPAHQSKYQFIPA-UHFFFAOYSA-N 235.306 3.589 30 20 BHED Cc1ccc(C(=O)/C=C/c2cccs2)c(O)c1 757475349 JFIZGILHGCWWHY-FNORWQNLSA-N 244.315 3.658 30 20 BHED C=CCN(C(=O)CCCCCC(C)C)C1CC1 771818169 GOADKZOQJAOUJB-UHFFFAOYSA-N 237.387 3.770 30 20 BHED CC1(C)CCCC[C@H]1NN=Cc1cccs1 773124433 GENPJOGHBFPMAJ-GFCCVEGCSA-N 236.384 3.640 30 20 BHED C[C@H]1CN(CCC(C)(C)C#N)Cc2ccccc21 776579751 PJHQCDOEEJCAKX-ZDUSSCGKSA-N 242.366 3.546 30 20 BHED C#CCCCCCC(=O)N(C)[C@H]1CCC[C@@H](C)C1 779809766 PQNGMQRDYQGZTE-CABCVRRESA-N 249.398 3.607 30 20 BHED C[C@H]1CCCC(=NOC2CCCC2)[C@@H]1C 781124284 CSYHDNCLKJKMNJ-WDEREUQCSA-N 209.333 3.758 30 20 BHED CCCCC(CC)=NNCCC(C)(C)C 782907038 IGTQNQCWBXVVLC-UHFFFAOYSA-N 212.381 3.968 30 20 BHED C[C@H](C#N)CNN=CC1CCC(C(C)(C)C)CC1 783857137 UCOMALAKSCQDAV-IYXRBSQSSA-N 249.402 3.574 30 20 BHED CCC(=NNc1ncccc1F)c1cccs1 794990204 JWBPOORDLMFKOC-UHFFFAOYSA-N 249.314 3.508 30 20 BHED C#CCCCOc1ccnc2c(Cl)cccc12 795230277 IDOSHGVRERIXGB-UHFFFAOYSA-N 245.709 3.680 30 20 BHED C=C[C@H]1CCCCN1CCSC(C)(C)C 801951148 BOCJLWPREDYCKV-LBPRGKRZSA-N 227.417 3.559 30 20 BHED C=CCCCCCCCCNC(=O)C1CC=CC1 805277426 BNVGZJAYLJWVHT-UHFFFAOYSA-N 249.398 3.986 30 20 BHED C[C@H]1CCC(=NNCC2CCCC2)[C@H](C)C1 808006062 OBVGJBPKLSTRHS-NWDGAFQWSA-N 222.376 3.578 30 20 BHED c1ccc([C@@H]2CCC(=NNC3CCCC3)C2)cc1 814833049 VRTGKYSEADNHEF-CQSZACIVSA-N 242.366 3.842 30 20 BHED C=CC(C)(C)C(=O)Oc1c(F)cccc1Cl 839314121 HHUVIDUUCPSKET-UHFFFAOYSA-N 242.677 3.597 30 20 BHED CC[C@H](C)CON=Cc1cc2ccncc2s1 853349906 LCWVVHQUEONJMG-JTQLQIEISA-N 248.351 3.693 30 20 BHED CC(C)=CCC[C@H](C)CC=NNc1ncccn1 912974106 LAMPMMGLRUSQHN-ZDUSSCGKSA-N 246.358 3.647 30 20 BHED C=CCCCCCN[C@H](c1ccncc1)C1CC1 934696762 GZYUIRLSGAKRHG-INIZCTEOSA-N 244.382 3.869 30 20 BHED C=C(C)CCC(=O)N1CCC[C@@H](C(C)(C)C)C1 1120731349 WKDYGACXXSKOEI-CYBMUJFWSA-N 237.387 3.627 30 20 BHED CC[C@@H]1[C@H](C)CCN1CCC1(C#N)CCCCC1 1169582343 SNWBKSIHSUYWMB-HUUCEWRRSA-N 248.414 3.971 30 20 BHED CC(=NOC(C)(C)C)c1ccc(C(F)F)nc1 1261652406 IPESLPGHUZAYJZ-UHFFFAOYSA-N 242.269 3.558 30 20 BHED CC(C)CN(CCC#N)CC(C(C)C)C(C)C 1560718026 GHPAXKKIAWDKLA-UHFFFAOYSA-N 238.419 3.786 30 20 BHED CC(C)(C)CC(C)(C)NCc1ccc(C#N)cc1 37100687 LWVZXCOJKNSSGE-UHFFFAOYSA-N 244.382 3.863 30 20 BHED CC[C@H](Nc1ccc(CC#N)cc1)C(C)C 37301882 URFXHAFVTBYNFI-AWEZNQCLSA-N 216.328 3.599 30 20 BHED C[C@H](NCC1(CC#N)CC1)c1ccccc1Cl 88249754 WMXYUDQGJAHGTB-NSHDSACASA-N 248.757 3.684 30 20 BHED C=CC[C@H](C)NC(=O)C[C@@H](C)C1CCCCC1 116849958 ZNFKFEWLBHTVKC-OLZOCXBDSA-N 237.387 3.674 30 20 BHED CCCCCCCC[S@](=O)CCCC 140966552 FSKNVKASXIBLQN-AWEZNQCLSA-N 218.406 3.896 30 20 BHED N#Cc1ccc(CNc2ccc3ccccc3c2)o1 155597003 MOFAPKINOOEKDB-UHFFFAOYSA-N 248.285 3.917 30 20 BHED Cc1cc(CSCCCC#N)c(C)s1 190924939 QYJINWNQMRFAOV-UHFFFAOYSA-N 225.382 3.902 30 20 BHED CC(C)(CCC#N)CN[C@@H]1CCCc2occc21 229672393 VSWPHFDLQZOODE-CYBMUJFWSA-N 246.354 3.577 30 20 BHED C[C@@H]1CCCC[C@@H]1Nc1nccc(C#N)c1Cl 235242410 YNTHDXAURWDJAM-KOLCDFICSA-N 249.745 3.597 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccc(Cl)cn1 281614409 NFXAPXWCVNZWHS-PWSUYJOCSA-N 238.762 3.740 30 20 BHED C=CCCC[C@H](C)Nc1nc(C(C)C)ns1 302032636 SPJDOKZXFILZCL-JTQLQIEISA-N 239.388 3.818 30 20 BHED Cc1ccc(Cl)cc1N[C@H]1CC[C@H](C#N)C1 309719703 VMIIAIOSTLTWDW-JQWIXIFHSA-N 234.730 3.753 30 20 BHED CC1(C)CC[C@H](C(O)=Nc2ncc(C3CC3)[nH]2)C1 329293814 JJLIWFIITRDZPI-JTQLQIEISA-N 247.342 3.701 30 20 BHED CC(C)N(CCCC(C)(C)C#N)C1CCC1 336672502 KIVDRTGNLFTVNL-UHFFFAOYSA-N 222.376 3.579 30 20 BHED C=C(C)CCNc1cnn(CC(C)C)c1C1CC1 345339278 LRNOIJKTGJAJCF-UHFFFAOYSA-N 247.386 3.795 30 20 BHED C[C@H](CCC#N)N1CCC(c2ccccc2)CC1 351594016 FWMYCGFLQAEDNR-CQSZACIVSA-N 242.366 3.558 30 20 BHED CCCCCNc1c(Cl)cccc1C#N 380018158 VDIQYPOBRVXJTH-UHFFFAOYSA-N 222.719 3.814 30 20 BHED C=CCNCc1ccc(C2CCCC2)cc1 390210478 UYAVCGIZCNQILE-UHFFFAOYSA-N 215.340 3.620 30 20 BHED C=CCC1(C(=O)N[C@@H](CC)C2CCCC2)CCC1 411057224 AKFKVXVAWZHQBZ-AWEZNQCLSA-N 249.398 3.818 30 20 BHED C[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)[C@H](C)[C@@H]1C 419375508 RQOHSLGUGXSINP-AAVRWANBSA-N 242.366 3.596 30 20 BHED CCC[C@@H]1CCC[C@@H]1NCc1ccc(C#N)s1 421881853 PHPUUYXDGWEQOO-RISCZKNCSA-N 248.395 3.678 30 20 BHED CCc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1CC 442852327 HNCUMBSRDIGJDS-GXTWGEPZSA-N 242.366 3.916 30 20 BHED CC#CCCN1C[C@H](c2ccccc2C)C[C@H]1C 462314081 NJTBNOMVSGUJPL-HZPDHXFCSA-N 241.378 3.586 30 20 BHED CCC[C@@](C)(CC)C(=O)Nc1ccc(C#N)cc1 483054755 RSEPBQQIPQVISF-OAHLLOKOSA-N 244.338 3.713 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)CC1CCCC1 488857953 COCBDMPPXQLMBL-UKRRQHHQSA-N 249.398 3.770 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCC(O)(CCC)CCC 531968575 QHVHZSGGQCCMMC-ZIAGYGMSSA-N 241.419 3.508 30 20 BHED C=C(CC)CN(Cc1ccccc1OC)C1CC1 536882184 UFQGYRAPMDAXSL-UHFFFAOYSA-N 245.366 3.626 30 20 BHED CC(C)C[C@H]1CCCN(CCC(C)(C)C#N)C1 537368687 MXPJDEIMMMQOOM-CQSZACIVSA-N 236.403 3.684 30 20 BHED C[C@@H](CC1CCCCC1)CN(C)C[C@@H](C)C#N 541774960 NQDHWXVJGAEJKG-KBPBESRZSA-N 236.403 3.684 30 20 BHED CC(C)(C#N)CCN1CCC[C@@H](C(C)(C)C)C1 567071658 NKBUNDZTCACGJH-CYBMUJFWSA-N 236.403 3.684 30 20 BHED Cc1ccc2c(c1)[C@H](NC[C@@H](C)CCC#N)CC2 602539724 JCSUWMHQNLTDJG-XJKSGUPXSA-N 242.366 3.512 30 20 BHED CC#CCN(Cc1cccc(Cl)c1)C(C)C 607726761 GJETUXRVZZANOS-UHFFFAOYSA-N 235.758 3.574 30 20 BHED C=CCN(C(=O)[C@H](CCCC)C(C)C)C1CC1 621942032 JALXXARVGFZQQW-CQSZACIVSA-N 237.387 3.626 30 20 BHED C=C(C)CN(CC)c1ccc(Cl)cc1 728917733 NBTHXRULMLQYHP-UHFFFAOYSA-N 209.720 3.742 30 20 BHED C=C(Cl)CN1CCc2ccccc2[C@@H]1CC 734058541 QMDOBPQNAFTMHK-AWEZNQCLSA-N 235.758 3.748 30 20 BHED CCc1ccc(C(C)=NNc2cccc(C)c2)o1 752158469 YYHIPOJKUVMATG-UHFFFAOYSA-N 242.322 3.987 30 20 BHED C#CC[C@H](NCc1cccc(C)c1)c1ccccc1 756995862 KPRNMOZDVCLMCY-SFHVURJKSA-N 249.357 3.849 30 20 BHED C=CCCC(C)=NNc1ccc2ccccc2n1 758066253 BJXFXRVUEDRCKE-UHFFFAOYSA-N 239.322 3.989 30 20 BHED FC(F)(F)CON=C1CCC[C@@H](C2CC2)C1 764846845 RMEOAPNQGFIIMK-SECBINFHSA-N 235.249 3.522 30 20 BHED CCCCCCCN1CCCC[C@H](COC)C1 767945618 ANJFPZRSLZKSBT-HNNXBMFYSA-N 241.419 3.705 30 20 BHED CC[C@@H]1C[C@H](C)CCC1=NO[C@@H]1CCCCO1 769583071 BLGHXYQUWAOROR-YRGRVCCFSA-N 239.359 3.732 30 20 BHED C=CCCC[C@H](C)NC(=O)C=C(C1CC1)C1CC1 775922970 HJJHDHMQBCASEW-LBPRGKRZSA-N 247.382 3.594 30 20 BHED C=CCC[C@@H](Nc1ccc(OC)c(F)c1)C1CC1 776811242 LRKNZPPSWPDUGX-CQSZACIVSA-N 249.329 3.991 30 20 BHED C=CCCCCCCNC(=O)[C@@H](C)c1ccco1 805218964 QSKFXYFYHKGXAD-ZDUSSCGKSA-N 249.354 3.636 30 20 BHED C[C@@H](C#N)OCCSCCC1=CCCCC1 842184631 UJOIVJOAGFLXTQ-LBPRGKRZSA-N 239.384 3.539 30 20 BHED CC1=C(C)C[C@@H](C(=O)O[C@H](C)C(C)(C)C#N)CC1 842741344 HRVYIVVNMCHHHZ-OLZOCXBDSA-N 249.354 3.604 30 20 BHED C=C[C@H](OC(=O)[C@H]1C[C@@H]1C1CC1)c1ccccc1 851451709 LAHOZWYVEYHJCH-ILXRZTDVSA-N 242.318 3.503 30 20 BHED C=CC(C)(C)CC(=O)N1CC[C@@H](C2CCCC2)C1 880325614 AMUWCHBBWVQDEJ-CQSZACIVSA-N 249.398 3.627 30 20 BHED Fc1ccc(NN=CC2CCCCC2)cc1 916268072 IDPQGGLWOBYDJF-UHFFFAOYSA-N 220.291 3.804 30 20 BHED CC(C)C[C@@H](C)CN1CCc2c(C#N)cccc21 1171345391 YXWWVZSFEDLKQL-CYBMUJFWSA-N 242.366 3.603 30 20 BHED C=C(CC)C(=O)N[C@@](C)(CC)c1ccc(F)cc1 1263869355 PBSCHBAADABUAA-HNNXBMFYSA-N 249.329 3.533 30 20 BHED C[C@@H]1CCC[C@H]1NCCCCC1(C#N)CCC1 1333471054 KUQGPSJINQWDJF-ZIAGYGMSSA-N 234.387 3.629 30 20 BHED C[C@@H](CSc1cc(C#N)ccn1)C(C)(C)C 1458916062 ZBVJZNZHJGANQX-JTQLQIEISA-N 234.368 3.728 30 20 BHED CCCCN(CCCC)c1cc(C)c(C#N)cn1 1472653646 YGJBTADLWYROSH-UHFFFAOYSA-N 245.370 3.668 30 20 BHED CCCN(CCC)CCC1(C#N)CCCCC1 1652284105 PSKCLBDYBOISCL-UHFFFAOYSA-N 236.403 3.973 30 20 BHED CCCC[C@H](CC)CNCc1cccc(C#N)c1 20010833 GYRQOOFGXSHUDR-AWEZNQCLSA-N 244.382 3.864 30 20 BHED C[C@H](Nc1cccc(F)c1C#N)c1cccs1 35134973 VVJSJAAAIIPPSZ-VIFPVBQESA-N 246.310 3.932 30 20 BHED C[C@H]1CCC[C@H](C)N(Cc2cc(C#N)cs2)C1 93509326 XVSIUSDHBCQUSX-RYUDHWBXSA-N 248.395 3.630 30 20 BHED N#CCCCSCC1CCCCCC1 191015233 RKRLTLGXSDQFNU-UHFFFAOYSA-N 211.374 3.994 30 20 BHED C=CCN(CCC#N)[C@H](CC)c1ccccc1 292259864 RKFSBCFQMLOEMJ-OAHLLOKOSA-N 228.339 3.539 30 20 BHED C=CCCCSCCSC(C)C 308113436 LFZPLFUJTGBFKQ-UHFFFAOYSA-N 204.404 3.827 30 20 BHED C[C@@H]1CCCC[C@H]1Nc1ncc(C#N)cc1Cl 339239446 WRRNTUIQQDJXMJ-BXKDBHETSA-N 249.745 3.597 30 20 BHED CC[C@@H](N[C@@H]1CCC1(C)C)c1ccc(C#N)cc1 348270691 GXPLQOGNSUIBAA-HUUCEWRRSA-N 242.366 3.788 30 20 BHED C[C@@H]1C[C@@H](c2ccccc2)CCN1CCCC#N 374174074 IMACMZCZDFNEBX-ZBFHGGJFSA-N 242.366 3.558 30 20 BHED C=CCCN[C@@H](C)c1c(C)cccc1C 380263567 SOEWZDFLQCNWPA-ZDUSSCGKSA-N 203.329 3.530 30 20 BHED CC1(CN[C@@H]2CC[C@H](C#N)C2)CCCCCC1 424188811 CLRXDYOANUWQEE-UONOGXRCSA-N 234.387 3.629 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccc2c(c1)COC2 453314306 YHZKYXQAFUXCCB-GFCCVEGCSA-N 245.366 3.580 30 20 BHED C=CCCN(C)c1ncc(-c2ccccc2)s1 466377581 FUZJNWRQTLEARH-UHFFFAOYSA-N 244.363 3.822 30 20 BHED C=CCCCN1CC[C@@H](c2cccc(F)c2)C1 518251522 OAZUUZGGAVAYOS-CQSZACIVSA-N 233.330 3.581 30 20 BHED Cc1cc(C)c(Cn2cc(C)c(C#N)c2)c(C)c1 532766757 KJRBQZKKMZTOAY-UHFFFAOYSA-N 238.334 3.642 30 20 BHED CC(C)CC[C@@H]1CCC[C@@H]1N[C@H]1CC[C@H](C#N)C1 555460994 GREGSLVVMTWMML-VGWMRTNUSA-N 248.414 3.873 30 20 BHED CC[C@H](COc1cccc(C#N)c1)CC(F)F 594880906 HHAGDUYUUIQDPG-JTQLQIEISA-N 239.265 3.618 30 20 BHED N#CC1(CSCCCC2CCC2)CCC1 596367533 CDOLIYCOGORZDA-UHFFFAOYSA-N 223.385 3.994 30 20 BHED CCC#C[C@@H](C)N[C@H](C)c1cc2ccccc2o1 680405009 WQUCUVPEDOVPOA-CHWSQXEVSA-N 241.334 3.885 30 20 BHED Cc1ccnc(NN=C2C[C@H](C)C[C@@H](C)C2)c1 747763843 HJHZRIZHWPVEDV-VXGBXAGGSA-N 231.343 3.614 30 20 BHED C[C@@H]1CC(C)(C)CC1=NNC1CCCCC1 766028220 AGFJSASXFQBNIU-LLVKDONJSA-N 222.376 3.721 30 20 BHED CC(CCC1CC1)=NNc1ncccc1Cl 768766699 CVTQXLZTFJYHOE-UHFFFAOYSA-N 237.734 3.713 30 20 BHED CC1(C)CCCC[C@@H]1NN=C1CCCCC1 773126124 RUJVZXIKUFVILT-ZDUSSCGKSA-N 222.376 3.865 30 20 BHED C=C[C@@H](C)OC(=O)c1cccc2c(C)c(C)[nH]c12 781575661 CAKVOVQVMSGRKR-SECBINFHSA-N 243.306 3.516 30 20 BHED CC[C@@H](C)CON=Cc1ccc2ccccc2n1 793144942 GMKRXNWWLBMYGL-GFCCVEGCSA-N 242.322 3.631 30 20 BHED CCC(=NOC1CCC1)c1ccc(C)cc1 812236322 KJXGMOHJEPEACV-UHFFFAOYSA-N 217.312 3.678 30 20 BHED CC(C)OCCON=C1CCC(C)(C)C[C@@H]1C 812239661 ZLQPTBUOJUHGFA-LBPRGKRZSA-N 241.375 3.630 30 20 BHED Fc1cccc(NN=C2CC[C@@H]2C2CCC2)c1 814814815 AYVCEUKJMMUSAB-CYBMUJFWSA-N 232.302 3.804 30 20 BHED CON=C1CC[C@H](c2cccc(Cl)c2)C1 841619650 NZNNENJQXNBNDK-JTQLQIEISA-N 223.703 3.610 30 20 BHED CCC(=NNc1ccc(Cl)cn1)C(C)C 853437638 FSUGKIGNYLJFPR-UHFFFAOYSA-N 225.723 3.569 30 20 BHED CCSc1ccccc1CN(C)[C@H](C)CC#N 929833548 ZOAFXNDINCBXOD-GFCCVEGCSA-N 248.395 3.533 30 20 BHED N#CCCCCSCc1ccc(Cl)cn1 1319996423 UUCGBNLWWZATKD-UHFFFAOYSA-N 240.759 3.662 30 20 BHED Cc1c(C=NOC(C)(C)C)n(C)c2ccccc12 1327801149 TXKYAPABXITBMR-UHFFFAOYSA-N 244.338 3.636 30 20 BHED C=CC[C@H](CC)NCc1nccc2ccccc12 1334366015 ARMWMMYKZALGBA-AWEZNQCLSA-N 240.350 3.679 30 20 BHED COc1ccc([C@H](C)SCC2(C#N)CC2)cc1 1458925675 ZGOPCNZMIYBZJU-NSHDSACASA-N 247.363 3.793 30 20 BHED C=C(CC)C(=O)N(CCC)Cc1ccc(C)cc1 1518855881 ZRARCXXYLCPAAC-UHFFFAOYSA-N 245.366 3.700 30 20 BHED CC1(C)CCC[C@H](CNc2ccc(C#N)cn2)C1 1651151583 YKUVIUBHJKMMLB-LBPRGKRZSA-N 243.354 3.582 30 20 BHED CCN(Cc1ccccc1C#N)C1CCCCC1 19804714 GRXZISWTJUVFBN-UHFFFAOYSA-N 242.366 3.713 30 20 BHED Cc1ccc(NCc2ccc(C#N)cc2)cc1C 19920179 CIVXNNOQCXEIMG-UHFFFAOYSA-N 236.318 3.787 30 20 BHED C=C(C)CNc1ccc(C(F)(F)F)cc1 41579747 YNYXGGFGZGHZEP-UHFFFAOYSA-N 215.218 3.693 30 20 BHED CC(C)(C)[C@@H]1CCCN(CCCCC#N)CC1 71203001 OVKHPFKDDSNCIM-CQSZACIVSA-N 236.403 3.828 30 20 BHED C=CCCOc1ccc(Br)c(F)c1 83119654 DXDUMCRWBZNFOG-UHFFFAOYSA-N 245.091 3.543 30 20 BHED C=CCCc1csc(-c2ccccc2O)n1 90065574 PYIZVTGUYLGVCK-UHFFFAOYSA-N 231.320 3.634 30 20 BHED CC[C@H](C)CN[C@@H](CCC#N)c1ccccc1 93109620 FADCLCYKNUSZDZ-ZFWWWQNUSA-N 230.355 3.667 30 20 BHED C=CCCCSCCOc1cccc(C#N)c1 117943624 XQVPQYJWRXQGBW-UHFFFAOYSA-N 247.363 3.636 30 20 BHED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1CC 120842562 ZAFUCTLHQBETSQ-AWEZNQCLSA-N 235.371 3.546 30 20 BHED C=CCN(CCC(C)(C)C#N)Cc1cccs1 157432630 SUCGMJAQAXHCGC-UHFFFAOYSA-N 248.395 3.676 30 20 BHED CC#CCN[C@H](C)c1cc(Cl)ccc1Cl 160565059 UHAOVOSMKQBRRG-SECBINFHSA-N 242.149 3.667 30 20 BHED C=CCCCC(=O)N1CCc2ccc(Cl)cc21 175472289 VZDJCTSNMGYEEK-UHFFFAOYSA-N 249.741 3.585 30 20 BHED Cc1cccc(S[C@H](C)CCC#N)c1 188304060 BOSXZOSLDLSFKC-LLVKDONJSA-N 205.326 3.779 30 20 BHED C[C@H](CSCCCC#N)c1ccccc1 191003749 OUEMRPICZFCSHZ-GFCCVEGCSA-N 219.353 3.827 30 20 BHED C(=NNc1ccccc1)c1cc2ccccc2[nH]1 255972472 FROIZJHNYWVRQM-UHFFFAOYSA-N 235.290 3.614 30 20 BHED C=CCCC(=O)N(C(C)C)[C@H](C)c1ccccc1 297966300 VNFIFLHWIXKKGO-CQSZACIVSA-N 245.366 3.951 30 20 BHED C=CC(C)(C)C(=O)Nc1cc(F)ccc1Cl 298803049 SMVZDOFKBZVJAU-UHFFFAOYSA-N 241.693 3.630 30 20 BHED Cc1cc(C#N)cc(NCc2cccs2)c1 308100611 GNYLCIMZICRHOI-UHFFFAOYSA-N 228.320 3.540 30 20 BHED Cc1cc(C#N)cc(NC[C@@H]2C[C@H]3CC[C@H]2C3)c1 308158777 VBOCGJWMBURDTL-QEJZJMRPSA-N 240.350 3.715 30 20 BHED C=CCC(C)(C)CNCc1cccc(F)c1F 310469070 HTTBTXVVMQRTBB-UHFFFAOYSA-N 239.309 3.657 30 20 BHED Cc1c(Cl)cnc(N[C@@H]2CCC[C@@H]2C)c1C#N 336919188 FDYCECXDUBQBFZ-QPUJVOFHSA-N 249.745 3.516 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1ccc(F)cn1 344292743 GJQBEDAHZANZBF-VXGBXAGGSA-N 236.334 3.616 30 20 BHED C=C(C)CCN(Cc1ccco1)Cc1ccco1 352102300 LGCKIQCGKXXMRY-UHFFFAOYSA-N 245.322 3.841 30 20 BHED CN(Cc1ccc(C#N)s1)[C@H]1CCC(C)(C)C1 355580435 IBMPWQBWPGWBHC-NSHDSACASA-N 248.395 3.630 30 20 BHED C=CCCCCNC1CCC(CSC)CC1 385462232 WAWIQRHOIIRHHX-UHFFFAOYSA-N 241.444 3.854 30 20 BHED C=C(C)CCN[C@H](C)CCCC(F)(F)F 387337661 DVZREVZFFWILAU-SNVBAGLBSA-N 223.282 3.663 30 20 BHED CCCCN(Cc1ccc(CC#N)cc1)C1CC1 398988366 IRPGPJUZJCWZOE-UHFFFAOYSA-N 242.366 3.517 30 20 BHED C=CC[C@H](CC)NC(=O)C[C@H]1CCC[C@H](C)C1 410127445 NEQOTKHQDNAJTG-IHRRRGAJSA-N 237.387 3.674 30 20 BHED CCN(Cc1cccc(C2CC2)c1)C[C@@H](C)C#N 421325070 YRPCUHPMTORJNR-ZDUSSCGKSA-N 242.366 3.546 30 20 BHED C=C(C)CCNC(=O)[C@@H](C)CC1CCCCC1 452715738 FCBANLZIXNYFSG-ZDUSSCGKSA-N 237.387 3.675 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@H]1CCCC(C)(C)C1 467877154 DFIYDQHGVZZVGL-WFASDCNBSA-N 237.387 3.674 30 20 BHED C=CCCC1(C(=O)N[C@H]2CCC[C@@H](CC)C2)CC1 476089744 IGLJMGPITHSTIP-KGLIPLIRSA-N 249.398 3.818 30 20 BHED C=CCN(CC=C)C(=O)C[C@@H](C)C1CCCCC1 497882757 YXMLLXNHOAJLNJ-CQSZACIVSA-N 249.398 3.794 30 20 BHED C=CC[C@H](C)NC(=O)CCCC1CCCCC1 522645256 KTJACNIIWQEZIM-ZDUSSCGKSA-N 237.387 3.818 30 20 BHED CC#CCN1CCC[C@@H]1c1ccc(Cl)cc1 525120410 USABJWSAABQRKG-CQSZACIVSA-N 233.742 3.500 30 20 BHED C=CCC[C@@H](CCC)Nc1cn(C)nc1CC 545272198 XXYVZPHZUOTGLK-GFCCVEGCSA-N 235.375 3.529 30 20 BHED C=CCCCCOc1ccc(C(C)=O)cc1OC 579436014 LHDKZPLINUGJIL-UHFFFAOYSA-N 248.322 3.633 30 20 BHED C1CCCC(CON=C2CCCOCC2)CC1 588472061 RFJCROVMASLXBW-UHFFFAOYSA-N 239.359 3.530 30 20 BHED C=CCCCSCc1cnc2ccccc2n1 596342721 NMYXYESOTGVRQQ-UHFFFAOYSA-N 244.363 3.829 30 20 BHED Cc1ccc(S[C@H](C#N)C2CC2)c(C)c1 601072692 PVXJOCURYHUDLQ-CYBMUJFWSA-N 217.337 3.698 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H](C)C2)C1 617782575 IFJBDJCVJUJTJG-RRFJBIMHSA-N 249.398 3.627 30 20 BHED C=CCCCCN1CCC[C@H]1c1ccncc1 649398394 QRRLRCAEJWKEHD-HNNXBMFYSA-N 230.355 3.575 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 684939586 RNNXAZUDRQFWLR-IHRRRGAJSA-N 249.398 3.696 30 20 BHED C=C(C)CCc1noc(C2(F)CCCCC2)n1 685691771 NFTFXIQIQOWRIU-UHFFFAOYSA-N 238.306 3.707 30 20 BHED CCCCCCCN[C@@H]1CCO[C@H](C(C)C)C1 703742915 CXHCQDRIRGHFIS-CABCVRRESA-N 241.419 3.750 30 20 BHED C=C(Cl)CN1CCC[C@H](C(C)(C)C)CC1 734853210 WAXFEQJWYIJHCA-LBPRGKRZSA-N 229.795 3.887 30 20 BHED C=CCCCC(=O)NCC1CCCCCCC1 748297421 MSCYYYHWTHIUCE-UHFFFAOYSA-N 237.387 3.819 30 20 BHED CC1(C)CCCC1=NNCCCc1ccccc1 749855489 OMAPCZWAZOMNJP-UHFFFAOYSA-N 244.382 3.775 30 20 BHED CC[C@H](C)C=NNc1nc2ccccc2s1 755463534 FGGNEPFDBFWEPT-VIFPVBQESA-N 233.340 3.740 30 20 BHED CCCCC=NNc1cc(F)c(F)cc1F 755731354 RFOHHBRIPZAILC-UHFFFAOYSA-N 230.233 3.692 30 20 BHED C#CCCCOc1c(CC=C)cc(C)cc1OC 783563455 WHTJDLLGQNPCML-UHFFFAOYSA-N 244.334 3.524 30 20 BHED CC1(C)CCC(=NNc2cc(Cl)ccn2)C1 783861604 IHCXLGOCWWZROR-UHFFFAOYSA-N 237.734 3.713 30 20 BHED Cc1cccc(C=NN[C@@H](C)C(C)(C)C)c1C 793116394 XKNKHFVIZYPPCJ-ZDUSSCGKSA-N 232.371 3.662 30 20 BHED C=CCCCCCOC(=O)[C@@H]1CCC(F)(F)C1 796375129 NXJXNTLZDILRKZ-LLVKDONJSA-N 246.297 3.711 30 20 BHED C=CCCCCOC(=O)C1(CC=C)CCC1 811012928 CLJASVFSJIXBEO-UHFFFAOYSA-N 222.328 3.632 30 20 BHED C[C@H]1CCC(=NOCc2ccc(F)cc2)C1 814903289 BPKDYBNQNJZTEM-JTQLQIEISA-N 221.275 3.518 30 20 BHED C=CCCC(CCC)=NNc1ncccc1F 814927467 PQGCPEXXUUARGR-UHFFFAOYSA-N 235.306 3.755 30 20 BHED CCCC(=NO[C@@H]1CCCCO1)C1CCCC1 834967068 SCPYIAKKZNTHDG-CQSZACIVSA-N 239.359 3.876 30 20 BHED CCCCCCCSc1ncc(C)c(O)n1 849902361 ZCBVZCAYEKMHQQ-UHFFFAOYSA-N 240.372 3.553 30 20 BHED CCCCCCCOC(=O)c1ccc(C)nc1 918493493 YTVGPNHRKAXTFR-UHFFFAOYSA-N 235.327 3.517 30 20 BHED Cc1cccc(NN=C/C=C\c2ccco2)c1 920356567 NGSIMFHNPDSQOO-MFKBBGELSA-N 226.279 3.699 30 20 BHED C=CCC(C)(C)c1nnc(CC(C)(C)C)o1 1257834711 IERMMGRSLYKQGB-UHFFFAOYSA-N 222.332 3.512 30 20 BHED Cc1cc(SCc2ccncc2)ccc1C#N 1644029539 NVODJDNIBBJCTP-UHFFFAOYSA-N 240.331 3.554 30 20 BHED CN(CCC1(C#N)CCCCC1)C[C@@H]1CC1(C)C 1655184361 NUXYVQDNAZBAPZ-AWEZNQCLSA-N 248.414 3.828 30 20 BHED CC(C)CC[C@@H]1CC[C@@H](NCC2(CC#N)CC2)C1 1656175092 ZXSVTYCODADUMH-HUUCEWRRSA-N 248.414 3.875 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 1665693564 BLNMFENPSBZPNE-QKGCVVFFSA-N 221.388 3.755 30 20 BHED C[C@@H]1CCCC[C@@H]1Nc1cccc(C#N)c1 19921969 FXIQAKOLYHLZRY-RISCZKNCSA-N 214.312 3.549 30 20 BHED CCC(CC)CNc1ccc(CC#N)cc1 37071306 STXXUYJUJSCXRY-UHFFFAOYSA-N 216.328 3.601 30 20 BHED C=C(C)CN(Cc1ccco1)Cc1cccs1 52921006 GKGNECIGAIBKDU-UHFFFAOYSA-N 247.363 3.919 30 20 BHED C=CCC(CC=C)C(=O)N(C)c1ccccc1F 129896003 HDWJXZRBOLSIJT-UHFFFAOYSA-N 247.313 3.557 30 20 BHED N#Cc1ccccc1CSc1cccc(O)c1 130881016 LRBQWJXKGREFGK-UHFFFAOYSA-N 241.315 3.556 30 20 BHED O=C(/C=C/c1cccnc1)c1coc2ccccc12 159013611 KDKGLPBEXNYJNU-BQYQJAHWSA-N 249.269 3.724 30 20 BHED C=CCCN(CC)[C@@H](C)c1ccc(C#N)cc1 172621567 KTDWLXUVLRIWGY-ZDUSSCGKSA-N 228.339 3.517 30 20 BHED CC(C)C(C)(C)CNc1cccc(F)c1C#N 232815054 SULXOIOFWOBRRL-UHFFFAOYSA-N 234.318 3.791 30 20 BHED C=CCCC(=O)Nc1ccc(Cl)cc1C 263694253 RZEOOSCDCXQUCI-UHFFFAOYSA-N 223.703 3.553 30 20 BHED CCC[C@H](CC)Nc1cc(C(C)=O)ccc1C#N 302124241 VQNBFYUHUQEEFI-AWEZNQCLSA-N 244.338 3.751 30 20 BHED C=CCC[C@@H](CCC)NCC1(C(F)F)CC1 310027517 QBDJZUQTJJPLBB-LLVKDONJSA-N 231.330 3.756 30 20 BHED CC[C@@H](Nc1cccc(CC#N)c1)C(C)C 313479904 OBUIOIXRCFKBKV-CQSZACIVSA-N 216.328 3.599 30 20 BHED CC[C@H](N[C@@H]1CCC1(C)C)c1ccc(C#N)cc1 348270693 GXPLQOGNSUIBAA-LSDHHAIUSA-N 242.366 3.788 30 20 BHED C[C@H](c1cccc(C#N)c1)N1[C@H]2CCC[C@H]1CC2 364795727 ZSZJZBFQBNCPLY-KCXAZCMYSA-N 240.350 3.636 30 20 BHED C=CCCCCN[C@@H](C)c1ccc(F)cc1F 383375928 ZIMJKQGEDDCHAI-NSHDSACASA-N 239.309 3.972 30 20 BHED C=CCC1(C(=O)N(C)[C@H](C)C2CCC2)CCCC1 410655863 ILZOBJCCRLHREC-CYBMUJFWSA-N 249.398 3.770 30 20 BHED Cc1cccc(Cl)c1CSCCC#N 413019931 VGGLBALWNCHFRD-UHFFFAOYSA-N 225.744 3.795 30 20 BHED C=CCN(CCC#N)[C@H](C)c1ccccc1Cl 428847101 SQNQFTRXBBJVMG-GFCCVEGCSA-N 248.757 3.803 30 20 BHED C=CCC[C@H](CC)NCc1cnc(C)cc1C 449733550 ILGLIHSEQKFWAJ-HNNXBMFYSA-N 232.371 3.533 30 20 BHED C=CCC1(C(=O)N2CCCC(C)(C)C2)CCCC1 449853183 BAQFPYVRDOCMHA-UHFFFAOYSA-N 249.398 3.772 30 20 BHED CC#CCCN1[C@H](C)Cc2cc(F)ccc2[C@H]1C 462337862 QZJJSJIKSMFOJT-CHWSQXEVSA-N 245.341 3.547 30 20 BHED N#CCc1ccc(NC2CCC3(CC2)CC3)cc1 486699017 WAFMSHDJRYTTDO-UHFFFAOYSA-N 240.350 3.887 30 20 BHED CC(C)(C)CN(CCC#N)CC1CCCCC1 513716505 CMMZUPYMXZOHJI-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C=C(CC)CN1CCc2c(Cl)cccc2C1 538002779 QNEXIUWKMLOKLM-UHFFFAOYSA-N 235.758 3.664 30 20 BHED CC[C@@H]1CCC[C@@H](CN(CC)C[C@@H](C)C#N)C1 542464388 GKZOHQZLFGBZFA-RRFJBIMHSA-N 236.403 3.684 30 20 BHED C=CC[C@@H](C)NC(=O)[C@H](C)CCC(C)(C)C 544560377 JYYMQUCKADTEJK-VXGBXAGGSA-N 225.376 3.530 30 20 BHED C=CCCCC[C@@H](C)N[C@H](C)Cc1ccncc1 568991509 VARQWZQOARRTTR-HUUCEWRRSA-N 246.398 3.737 30 20 BHED CCCC[C@H](C)N(C)Cc1ccc(F)cc1C#N 577665121 BNNNRMNOTXIYHZ-LBPRGKRZSA-N 248.345 3.708 30 20 BHED CC(C)[C@@H](C(=O)CC#N)c1ccc(Cl)cc1 585163888 NVYHUNAIGWMKPO-CYBMUJFWSA-N 235.714 3.562 30 20 BHED CCc1ccc(NC[C@H](C)CCC#N)cc1C 602583828 ZCOGJLZLNPHRTO-GFCCVEGCSA-N 230.355 3.909 30 20 BHED C=CCCC(C)(C)NC(=O)c1ccc(C)s1 620864714 LPQXILPFENWSCF-UHFFFAOYSA-N 237.368 3.531 30 20 BHED C=CC(C)(C)CN[C@@H](CC)Cc1cccs1 648733016 CZINZNWTWYJLEN-LBPRGKRZSA-N 237.412 3.871 30 20 BHED C=CCCCCCCN[C@@H](C)C[C@@H]1CCOC1 689825123 AIBABAPJKRYEER-GJZGRUSLSA-N 239.403 3.528 30 20 BHED CC(C)=CCC/C(C)=C/C=NNCC(F)F 740617373 HAUULCVVPKUPRC-TZSGXZTKSA-N 230.302 3.520 30 20 BHED C(=NNc1nc(-c2ccccc2)cs1)C1CC1 755592027 DPOREXVRNSLFCG-UHFFFAOYSA-N 243.335 3.618 30 20 BHED C#CCCN1CCC[C@@H]1[C@H](CC)c1ccccc1 760819396 JIELWKRRDWOWKO-IAGOWNOFSA-N 241.378 3.668 30 20 BHED CCCCCC[C@@H]1CCCC1=NNC[C@H](C)C#N 771107310 LQJZAWLLOGTCQM-ZIAGYGMSSA-N 249.402 3.862 30 20 BHED CC1(C)CCCC[C@@H]1NN=C1CC(C(F)F)C1 773125510 NBDFEFKWBUXORL-UMJHXOGRSA-N 244.329 3.576 30 20 BHED C(=NOC1CCCC1)c1ccc2ncccc2c1 774603426 SNIVCCAAFFWZIS-UHFFFAOYSA-N 240.306 3.528 30 20 BHED C=CCC1(C(=O)OCCCC(C)(C)C#N)CCC1 784927288 LWIIRTFADAEIRB-UHFFFAOYSA-N 249.354 3.606 30 20 BHED CC[C@H]1CC[C@@H](C)CC1=NNc1cccc(F)n1 795006427 HXNWAFKTZIZNES-MNOVXSKESA-N 249.333 3.835 30 20 BHED Cc1ccc2[nH]cc(C=NOC/C=C\Cl)c2c1 811669240 YNBAZPJNJCJSID-ACTNEVMUSA-N 248.713 3.579 30 20 BHED CC(=NOC1CCC1)c1nc2ccccc2s1 812235608 ZFHPDYVICAJHDF-UHFFFAOYSA-N 246.335 3.589 30 20 BHED CC[C@@H](OC(=O)CCCC#N)c1ccc(C)cc1 813063656 ASBKPZWPDQILMQ-CQSZACIVSA-N 245.322 3.683 30 20 BHED C[C@@H](CCc1ccco1)N[C@H](C)CC(C)(C)C#N 829178260 DGKZJAWQCLQVAD-QWHCGFSZSA-N 248.370 3.519 30 20 BHED CCSCSc1ccc(C#N)c(C)c1 842632457 HGSQLLZIGVIRDJ-UHFFFAOYSA-N 223.366 3.669 30 20 BHED C=C1CCC(C(=O)Nc2cc(F)ccc2C)CC1 887613303 XWYFKKIADOUKGC-UHFFFAOYSA-N 247.313 3.819 30 20 BHED C[C@@H](NN=C/C=C/c1ccco1)c1ccccc1 920382852 PVWZOCVUDRJDSX-ZOIVUZSBSA-N 240.306 3.629 30 20 BHED C=C(Cl)CSCc1c(F)cccc1F 1307352434 LABJJHCWENQGDT-UHFFFAOYSA-N 234.698 3.951 30 20 BHED C=C(C)CN(CC)[C@H]1CCc2c(F)cccc21 1320358547 BXZOSGHXEZKRAB-HNNXBMFYSA-N 233.330 3.711 30 20 BHED C[C@@H](CSCC1(C#N)CC1)C(C)(C)C 1331871490 CPBMWOUJVFBASH-JTQLQIEISA-N 211.374 3.706 30 20 BHED C=CCCCSCc1cn(C)nc1C(F)F 1338180169 VNVCAGKWLVBAHP-UHFFFAOYSA-N 246.326 3.557 30 20 BHED C[C@@H](NC[C@H]1CC=CCC1)c1ccc(C#N)cc1 35256380 ONTZZGAUUPAQOD-HIFRSBDPSA-N 240.350 3.565 30 20 BHED C[C@@H](C#N)Sc1nc(-c2ccccc2)cs1 57532914 NMLKGZIVYRGDFP-VIFPVBQESA-N 246.360 3.814 30 20 BHED CC[C@@H]1CCCN(c2ccc(C#N)cc2F)CC1 79054169 CTUUDDUDJQRMCE-GFCCVEGCSA-N 246.329 3.714 30 20 BHED C=C(C)COc1ccccc1OCC(F)(F)F 89508432 CJLGNERISXPZDD-UHFFFAOYSA-N 246.228 3.583 30 20 BHED C=Cc1cc(C#N)cc2c1[nH]c1ccccc12 115725681 XTGUWISWILEDCV-UHFFFAOYSA-N 218.259 3.836 30 20 BHED in-vitro C=CC[C@@H](C)NC(=O)[C@H](CC)CC1CCCC1 116855085 METULEWCWQTKSP-TZMCWYRMSA-N 237.387 3.674 30 20 BHED Cc1ccoc1C(=O)/C=C/c1cc(F)cc(F)c1 121358152 MJXDZJVFUCUCJE-NSCUHMNNSA-N 248.228 3.762 30 20 BHED C=C(Cl)CN[C@@H](C)Cc1ccc(Cl)cc1 131968833 BGIXRDQAOLPERQ-JTQLQIEISA-N 244.165 3.613 30 20 BHED C[C@H](CC1CCC1)Nc1cccc(C#N)c1 135538536 DGJMDMRUHRZIOL-LLVKDONJSA-N 214.312 3.549 30 20 BHED CCC(C)(CC)C(=O)Nc1ccc(CC#N)cc1 158636819 BBCIRBLHVWJNBO-UHFFFAOYSA-N 244.338 3.517 30 20 BHED C=CCC1(C(=O)N[C@@H](C)CCC(C)C)CCC1 191688787 RUNRJMDWIGVGHN-ZDUSSCGKSA-N 237.387 3.674 30 20 BHED CC[C@H](C)CN(CC)Cc1ccc(F)c(C#N)c1 229751311 CDFHVAYZFXIYBP-LBPRGKRZSA-N 248.345 3.565 30 20 BHED CC(C)CCSc1c(C#N)cccc1C#N 302889294 OUGTXXLAXUOZEP-UHFFFAOYSA-N 230.336 3.568 30 20 BHED COc1cc(C#N)ccc1OCCCC(C)(C)C 305753945 PMFYTFGGPFXJQM-UHFFFAOYSA-N 247.338 3.772 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)C1CCC1 308980941 ICYNJHHXDKLQPW-OLZOCXBDSA-N 209.377 3.900 30 20 BHED C=C(CC)CN[C@@H](CC)c1ccsc1 313493123 FFHIWLXMHRIBGY-LBPRGKRZSA-N 209.358 3.755 30 20 BHED C=C[C@H]1CCCCN1C(=O)Nc1ccccc1C 335291349 BFXJXTMUXATOBO-ZDUSSCGKSA-N 244.338 3.567 30 20 BHED C[C@@H]1CC(C)(C)C[C@@H]1NCC(C)(C)CCC#N 348244229 NAWVPCAEVDVECA-OLZOCXBDSA-N 236.403 3.731 30 20 BHED Cc1sccc1CN1CCCC(C)(C)[C@H]1C#N 353216669 FUNLCKRIVGMWST-CYBMUJFWSA-N 248.395 3.571 30 20 BHED CCCCCCCN1CCC[C@H]1c1ncc[nH]1 371537701 JGEXPDLDTPANBP-ZDUSSCGKSA-N 235.375 3.517 30 20 BHED C[C@H](N(C)Cc1ccc(CC#N)cc1)C(C)(C)C 399022401 FTNALMFSDMLWNI-ZDUSSCGKSA-N 244.382 3.619 30 20 BHED Cc1ccc([C@H](C)NCC(C)(C)CC#N)s1 414171487 UZJIPTBAHQXYIC-NSHDSACASA-N 236.384 3.647 30 20 BHED C=CCCCN[C@H](CC(F)F)c1ccccc1 420996809 RDJPJZGJWREDCS-CYBMUJFWSA-N 239.309 3.939 30 20 BHED C=CC[C@H](CC)NC(=O)C(CCC)CCC 466536522 PCPOIDGVAQOCLU-ZDUSSCGKSA-N 225.376 3.674 30 20 BHED C=CCCCC(=O)N(CC)Cc1cccc(F)c1 479525193 JKESNYHZQJEDJT-UHFFFAOYSA-N 249.329 3.531 30 20 BHED C=C(C)CCc1noc(-c2cccc(C)c2F)n1 508681595 UDFKUUALMJMECO-UHFFFAOYSA-N 246.285 3.693 30 20 BHED C=CCCCCOc1ccc(OC)cc1C(C)=O 518141107 ATTLDRRBNCXVNK-UHFFFAOYSA-N 248.322 3.633 30 20 BHED C=CCC[C@H](C)NCc1ccc(CSC)cc1 560585046 PLISKFPDJIBOMJ-ZDUSSCGKSA-N 249.423 3.994 30 20 BHED C[C@@]1(C#N)CCCN([C@H]2C=CCCCCC2)C1 590173235 SWFJEMFWRAVSRG-GJZGRUSLSA-N 232.371 3.501 30 20 BHED C[C@H](CCC#N)CN[C@H](C)CCC(C)(C)C 602556294 KIDOWQYPZWHPPV-CHWSQXEVSA-N 224.392 3.731 30 20 BHED CC(C)(C)CSCC1(C#N)CCCC1 718816434 YQEHFZJTJOSSFB-UHFFFAOYSA-N 211.374 3.850 30 20 BHED C=C(C)CCOC(=O)C[C@H](CC)C(C)C 744304194 PJDKRBJMUTWKMO-LBPRGKRZSA-N 212.333 3.568 30 20 BHED CCCCCCCCNC(=O)C1(C)CCC1 754854986 QYZCGNQTODQFOR-UHFFFAOYSA-N 225.376 3.653 30 20 BHED CC[C@H](C)NN=C1CC[C@@H](C)C[C@@H]1CC 790191877 ZAAHBBXQALQJEP-WOPDTQHZSA-N 210.365 3.577 30 20 BHED Cc1ccc(C)c(NN=C[C@@]2(C)CCCS2)c1 792936398 MPCGWUSEOUXDQP-CQSZACIVSA-N 248.395 3.987 30 20 BHED N#Cc1cccc(NN=C2CC[C@H]2C2CCC2)c1 814786321 DWHGNRICEZMTTA-AWEZNQCLSA-N 239.322 3.536 30 20 BHED C#CCCCCN[C@@H](C)CCCCC=C 823990322 LLOVOESSUDXEPG-AWEZNQCLSA-N 207.361 3.514 30 20 BHED CCCC1(C(=O)O[C@H]2CCC[C@@H](C#N)C2)CCC1 839058780 XUXHYOMTOOKWAN-OLZOCXBDSA-N 249.354 3.582 30 20 BHED C=CCCN[C@@H](CC)c1cccc(Cl)c1O 850502670 UHWUELZMPHUXSM-LBPRGKRZSA-N 239.746 3.662 30 20 BHED Clc1ccc(NN=C2CC[C@@H]2C2CCC2)nc1 853435439 OZYHTGIJASGBMZ-LLVKDONJSA-N 249.745 3.713 30 20 BHED Clc1ccccc1CCCON=CC1CC1 853735573 WXMUEXIKEZYGIV-UHFFFAOYSA-N 237.730 3.685 30 20 BHED CCCCCCCNC(=O)C[C@@H]1CC[C@H]2C[C@H]12 862354964 BILMZUKGDMGIKE-IHRRRGAJSA-N 237.387 3.509 30 20 BHED C=CCCSCc1cc(C)cc(C)n1 901765953 JWWOFECNJSLHOY-UHFFFAOYSA-N 207.342 3.508 30 20 BHED C=CC[C@@H](C)N[C@@H](CC)c1cccc(C#N)c1 902867156 AHMJHVVMDDIPIR-DOMZBBRYSA-N 228.339 3.564 30 20 BHED CC[C@@H](NC1(CC)CC1)c1cccc(C#N)c1 903006825 OBGJYLQBUWMKLU-CQSZACIVSA-N 228.339 3.542 30 20 BHED CC(CCC(C)C)=NNc1ccc(C#N)cc1 915961642 IGHCQBUUHIOIKJ-UHFFFAOYSA-N 229.327 3.782 30 20 BHED CCCCCCCC(=O)N[C@@H](C)[C@@H](C)CC 919936165 JKSNBEDNHCIQAB-STQMWFEESA-N 227.392 3.898 30 20 BHED CCCCc1ccc(NC(=O)C(C)(C)C#N)cc1 42091796 ITCHTVLZCQJFBI-UHFFFAOYSA-N 244.338 3.517 30 20 BHED CC(C)c1ccc(CN(CCC#N)C2CC2)cc1 48580696 JIVZZAKICLLUGZ-UHFFFAOYSA-N 242.366 3.688 30 20 BHED C#CCCCCN[C@H](C)c1cc(C)sc1C 90397395 QUIKIGAJHUPLNG-GFCCVEGCSA-N 235.396 3.819 30 20 BHED C=C(C)COCCN[C@H](C)c1cccc(C)c1C 90451450 MYINABPVPHZKPU-OAHLLOKOSA-N 247.382 3.547 30 20 BHED C=CCCC[C@@H](C)N(C)Cc1csc(C)n1 91509724 JRCCUUKOWIEFFJ-LLVKDONJSA-N 238.400 3.628 30 20 BHED C=C[C@H](N)c1ccc(Cl)c(C(F)(F)F)c1 95643665 UERVRKCIWXTVLP-VIFPVBQESA-N 235.636 3.545 30 20 BHED C=C(C)CN[C@@H](CC)c1cccc(Cl)c1 96034161 RUJZGFLGGBNTON-ZDUSSCGKSA-N 223.747 3.957 30 20 BHED CC(C)(C)CCNc1ccc(C#N)cc1F 112011957 DBVJBOJAUIDBIP-UHFFFAOYSA-N 220.291 3.545 30 20 BHED Cc1ccc(COc2ccc(C#N)c(F)c2)cc1 113649921 MKJLRVBBVDDFNN-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=CCC[C@@H](NC[C@H]1Cc2ccccc21)C1CC1 120989952 LRLXBZBEVPVOQH-NVXWUHKLSA-N 241.378 3.661 30 20 BHED CC(C)N(Cc1ccc(C#N)s1)C1CCCC1 159139672 NDLIVHQGCUSLPP-UHFFFAOYSA-N 248.395 3.773 30 20 BHED CCC(CC)CC(=O)Nc1ccc(CC#N)cc1 164482548 STVCOFLVTOFWGU-UHFFFAOYSA-N 244.338 3.517 30 20 BHED C=CCCCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 181547694 GGLVSGYAAALBIK-AWEZNQCLSA-N 248.326 3.602 30 20 BHED CC1(C)CC[C@H](Nc2nccc(C#N)c2Cl)C1 232813049 CCFDXUPCYDOHJQ-JTQLQIEISA-N 249.745 3.597 30 20 BHED CCCCCCCCN[C@]1(C)CCO[C@H]1C 232940502 CRHCRSUTQYJTSV-UONOGXRCSA-N 227.392 3.504 30 20 BHED C[C@@H]1CCC[C@@H](COc2cccc(C#N)c2)C1 302472165 ZMDHRMLTHFBVSR-TZMCWYRMSA-N 229.323 3.763 30 20 BHED C=C(CC)CSCc1nc(C)cs1 336663423 WSPKQOKSSGNDEG-UHFFFAOYSA-N 213.371 3.651 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1ccncc1F 338372027 PFDKZRBBTHQNOJ-NEPJUHHUSA-N 236.334 3.616 30 20 BHED N#Cc1cnccc1/C=C\c1coc2ccccc12 349107054 JKUVDPGBAFQJMO-WAYWQWQTSA-N 246.269 3.870 30 20 BHED C=C(C)CCNCc1cccc(C2CC2)c1 386698128 MDTNWMFWNBKVQU-UHFFFAOYSA-N 215.340 3.620 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]1C1CCCCC1 424688234 NTUDXZPHLPZCKT-KBPBESRZSA-N 249.398 3.674 30 20 BHED CCC1(CNC2CCC(C)(C#N)CC2)CCC1 449174068 HDUYRJIPRTVTSO-UHFFFAOYSA-N 234.387 3.629 30 20 BHED C=CC(C)(C)CNC1CCC(C(F)F)CC1 449486097 QFUBNHNTTHKHQR-UHFFFAOYSA-N 231.330 3.612 30 20 BHED C=C(CC)CN[C@H](C)c1cnn(C(C)(C)C)c1C 453368357 QGBHFIUHLBKTPR-GFCCVEGCSA-N 249.402 3.563 30 20 BHED C=CCC[C@H](C)N[C@H]1C[C@@H](OC(C)C)C1(C)C 463580117 VIZWCOQFPPMCFU-MELADBBJSA-N 239.403 3.523 30 20 BHED C=CC[C@@H](CC)NC/C=C\c1ccc(F)cc1 466384636 UYFWLYFRAQFPIV-ZQMJAJRESA-N 233.330 3.783 30 20 BHED C=CC[C@H](C)NCc1cc2c(C)cc(C)cc2[nH]1 479379727 HPUSWGUQZOWDHL-ZDUSSCGKSA-N 242.366 3.839 30 20 BHED CC(C)CC1(C)CCN([C@H]2CC[C@@H](C#N)C2)CC1 549717884 JPEGWPOYVKPQSX-CABCVRRESA-N 248.414 3.827 30 20 BHED C=C(CC)CN(C)Cc1cc2ccccc2o1 557291628 KJINTXFUSMVZEK-UHFFFAOYSA-N 229.323 3.831 30 20 BHED C=CCCCCCN(C)c1cccc(O)c1 573390319 CMICDUXTGREAKH-UHFFFAOYSA-N 219.328 3.575 30 20 BHED C[C@@H](NC1(C2CCC2)CC1)c1ccc(C#N)cc1 593080237 KLSZIHMQBJPLSW-GFCCVEGCSA-N 240.350 3.542 30 20 BHED C=CCCCOC(=O)c1ccc(SC)cc1 735533378 WERURCAJCJZDCO-UHFFFAOYSA-N 236.336 3.532 30 20 BHED Clc1ccc(NN=CC2CCCCC2)cn1 743450630 UQONDZVSCQGYQG-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C=CC[C@@H](C)NC(=O)c1ccc([C@@H](C)CC)cc1 755379479 QOUCWGWVMNIUTA-QWHCGFSZSA-N 245.366 3.895 30 20 BHED CC[C@H]1CCCC1=NNc1ccc(C)cc1 758357592 AEZGTTPOVMMVFH-LBPRGKRZSA-N 216.328 3.973 30 20 BHED C#CCCCN1CCC[C@H]1c1cccc(C)c1C 766904379 ZDYVABGANKPQLL-KRWDZBQOSA-N 241.378 3.854 30 20 BHED C=CCN(Cc1ccc(F)c(C)c1)C(C)C 768546228 ACLLAUHLGBIKRB-UHFFFAOYSA-N 221.319 3.531 30 20 BHED C=CCN(C/C=C/c1ccc(F)cc1)C(C)C 768546661 BXCGWZSLJZSOAD-AATRIKPKSA-N 233.330 3.735 30 20 BHED CC(C)c1nccnc1NN=C1CCCC[C@H]1C 773090662 JQZOPPOQEWLQFL-LLVKDONJSA-N 246.358 3.578 30 20 BHED C#CC[C@H](N[C@H]1CCC[C@H](C)C1)c1ccccc1 773117837 XNHCBJWMSUFUCL-XIRDDKMYSA-N 241.378 3.919 30 20 BHED C#CCCCCC(=O)O[C@@H](C)c1ccc(F)cc1 773633309 UNFXCIHTMLHRHK-LBPRGKRZSA-N 248.297 3.624 30 20 BHED C#CCCCCCC(=O)O[C@H](C)CC(C)C 780328414 PFGZZMGOVMUMJS-CYBMUJFWSA-N 224.344 3.548 30 20 BHED C=CCCCOC(=O)c1occc1C(C)C 792600522 ZRZNDNRJOFIGFM-UHFFFAOYSA-N 222.284 3.526 30 20 BHED C=CCCCCC[C@@H](C)N[C@@H](C)c1cnn(C)c1 793533894 KZMWLPZMAMYUAZ-KGLIPLIRSA-N 249.402 3.596 30 20 BHED CCCC[C@@H]1CCCC1=NOCCSC 794572155 LBDIFXDRQZOJES-LLVKDONJSA-N 229.389 3.712 30 20 BHED C[C@H](NN=C1CCC[C@@H]1CCF)c1ccccc1 794900679 BBLRSEDSAYIZAD-GXTWGEPZSA-N 248.345 3.853 30 20 BHED Cc1cc(C(=O)/C=C/c2scnc2C)oc1C 799898191 WKKCYNOUDSJJAZ-SNAWJCMRSA-N 247.319 3.557 30 20 BHED C1CCC(CNN=C2CCC[C@@H](C3CC3)C2)C1 808007057 NMYGSQDZGNFFHK-CQSZACIVSA-N 234.387 3.722 30 20 BHED C=CCCCCCCCN[C@@H]1CCO[C@H](C)C1 810160897 XTMVGJNIKQHLBK-HUUCEWRRSA-N 239.403 3.670 30 20 BHED CCON=C(C)Cc1c(Cl)cccc1Cl 814788456 VGRBRJSLLZTRFD-UHFFFAOYSA-N 246.137 3.948 30 20 BHED C#CCCCCC(=O)N[C@H](CCC)C1CCCC1 838332233 WLUJXDWSJYKURT-OAHLLOKOSA-N 249.398 3.655 30 20 BHED COc1ccc(NN=C(C)CCCCC#N)cc1 841634264 XEOGTXXVXADUNE-UHFFFAOYSA-N 245.326 3.567 30 20 BHED C=C(C)CON=CC1(CCOC)CCCCC1 844618345 QUXMNMNTHCEKBZ-UHFFFAOYSA-N 239.359 3.552 30 20 BHED C=CCCCC(=O)N(CCCC)c1ccncc1 876289049 GHNYAUHXHDQWDU-UHFFFAOYSA-N 246.354 3.571 30 20 BHED CC[C@@H](c1ccc(F)cc1)N1CCC[C@@H](C#N)C1 932156964 UMJJSZOFORJRGD-WFASDCNBSA-N 246.329 3.512 30 20 BHED N#CC1(CCCCN2C[C@H]3CCC[C@H]2C3)CCC1 934374106 HRWLALXUSDYZII-GJZGRUSLSA-N 246.398 3.725 30 20 BHED CCCCCCCCNCc1cnc(C)s1 103535681 CXRKUDVSQFNWEQ-UHFFFAOYSA-N 240.416 3.902 30 20 BHED C[C@@H]1CCCC[C@@H]1Nc1ccc(F)cc1C#N 111238332 VCBXWCKACKSLGO-MFKMUULPSA-N 232.302 3.688 30 20 BHED CC#CCCS[C@H](C)c1ccc(C#N)cc1 154940984 GCSFHYZRYAUWTE-GFCCVEGCSA-N 229.348 3.766 30 20 BHED C[C@@H](CC1CCC1)Nc1ccc(CC#N)cc1 169280313 HUTVIKVKUWCKFJ-LBPRGKRZSA-N 228.339 3.743 30 20 BHED N#Cc1ccc(CSCC2CCC2)cc1 173854289 HEQKJVHMGHKRIB-UHFFFAOYSA-N 217.337 3.592 30 20 BHED C=CCCCN[C@@H](Cc1ccccc1)C1CC1 183410681 CBFDDQMMIDIJOZ-INIZCTEOSA-N 229.367 3.564 30 20 BHED C=C(C)CN[C@@H](C)c1cccc(C)c1C 183738827 MTTAWLDTPLDJNV-ZDUSSCGKSA-N 203.329 3.530 30 20 BHED O=C(/C=C/c1sccc1Cl)c1ccncc1 195332549 IWPKXMVVMGLNHC-OWOJBTEDSA-N 249.722 3.693 30 20 BHED O=C(/C=C/c1cc(Cl)cs1)c1cccnc1 195332607 BOTUGZRHPWKWGA-ONEGZZNKSA-N 249.722 3.693 30 20 BHED C#CCCCN[C@H](C)c1ccc(CCC)cc1 224305348 FHQNPVFDSVWRAI-CQSZACIVSA-N 229.367 3.703 30 20 BHED C=C(CC)COc1ccc2c(c1)C(=O)CCC2 232835044 PANDZEMXMHEOOX-UHFFFAOYSA-N 230.307 3.551 30 20 BHED Cc1cccc([C@H](C)N[C@H](C)CCC#N)c1C 276256415 AILTWGPGKTZOCL-OCCSQVGLSA-N 230.355 3.646 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccc(C#N)cc1 280944644 FYPJXQJRARORJM-DOMZBBRYSA-N 228.339 3.564 30 20 BHED C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1CCCC#N 296705415 MTADTGIINGBNOW-FMKPAKJESA-N 242.366 3.557 30 20 BHED CC(C)[C@@H]1CCCCN1c1cccc(F)c1C#N 301284749 MFZKHNYXTXZACX-AWEZNQCLSA-N 246.329 3.712 30 20 BHED C=CCCCOc1cccc2ccc(C)nc12 354312915 TUMWRSKMDHDYTH-UHFFFAOYSA-N 227.307 3.888 30 20 BHED C=CCCC1(C(=O)N2CC[C@H](C)C[C@@H](C)C2)CC1 356498243 PSARQILIJWSEES-UONOGXRCSA-N 249.398 3.627 30 20 BHED CC[C@@H](CC#N)NC[C@H](C)CCc1ccccc1 358283323 UGMKFPRTIBRAKH-ZBFHGGJFSA-N 244.382 3.537 30 20 BHED Cc1cccc([C@H]2CCCCN2CCC#N)c1C 362384899 NPQOQLXNXCLGMZ-MRXNPFEDSA-N 242.366 3.744 30 20 BHED C=CCCN1CCC(Cc2ccccc2)CC1 379745678 UGXJESREMSBCMY-UHFFFAOYSA-N 229.367 3.517 30 20 BHED Cc1ccc(CSCC2(C#N)CCC2)cc1 419386557 DSJZXFJWKOXNCO-UHFFFAOYSA-N 231.364 3.922 30 20 BHED CCCCCN[C@@H](CC)c1ccc(C#N)cc1 447519182 PVUOYMUOMMAVLC-HNNXBMFYSA-N 230.355 3.789 30 20 BHED C=CCC[C@H](NC1CC(C)(F)C1)c1ccco1 453244212 YQCRRNPJUIXAQX-LXVYMNJGSA-N 237.318 3.767 30 20 BHED C=CCCCc1nc(-c2ccc(C)cc2F)no1 460140162 AYGYINBELOKGIG-UHFFFAOYSA-N 246.285 3.693 30 20 BHED C=CC[C@H](CC)NCCSCc1ccccc1 467518610 AUJMEZHQXAYPDW-HNNXBMFYSA-N 249.423 3.864 30 20 BHED C=CCCC1(C(=O)N[C@H]2CC[C@H](CC)CC2)CC1 479527661 DFNFIZYPQLYFIW-HDJSIYSDSA-N 249.398 3.818 30 20 BHED C=CCS[C@@H](C)c1cc([N+](=O)[O-])ccc1C 486072687 BAKLCTKVUISQNQ-JTQLQIEISA-N 237.324 3.883 30 20 BHED C=C(CC)CSCc1cc(C#N)ccc1F 539094780 LLHDHCXEFQBZFJ-UHFFFAOYSA-N 235.327 3.897 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@H](C)C(CC)CC 539431154 WNMDADIYNIRLOH-CHWSQXEVSA-N 239.403 3.920 30 20 BHED C=CCN(CCc1ccco1)CCC(C)(C)C 540915271 CRBSBEPMPPMEQD-UHFFFAOYSA-N 235.371 3.746 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)C1CCOCC1 553103942 DXAIEUAULGJYPA-KGLIPLIRSA-N 239.403 3.526 30 20 BHED C=CCN(CCc1ccccc1)[C@@H](C)CCC 553653374 USJLSADYZMLYHY-HNNXBMFYSA-N 231.383 3.906 30 20 BHED C=CCCCCCN(C)CCc1ccncc1C 564899270 RYFZERDKEGMIGM-UHFFFAOYSA-N 246.398 3.611 30 20 BHED CC(C)=CCSCc1cc(C#N)ccc1F 583572224 ILJOWAAQVTVBDM-UHFFFAOYSA-N 235.327 3.897 30 20 BHED Cc1csc(-c2ccc(C(C)(C)C#N)cc2)n1 594629386 HVPXKQXDMARPBC-UHFFFAOYSA-N 242.347 3.920 30 20 BHED CCN(CC(C)(C)CCC#N)c1cccc(O)c1 597252574 SYATYWHLKPOTFT-UHFFFAOYSA-N 246.354 3.548 30 20 BHED Cc1ccccc1CS[C@@H](C#N)C1CC1 601071087 UFJKVCQOKUFEEF-ZDUSSCGKSA-N 217.337 3.530 30 20 BHED C=C(C)C[C@@H](C)c1nc([C@H](CC)OCC)no1 665041905 YPLSRAUFZRTCRR-MNOVXSKESA-N 238.331 3.627 30 20 BHED C#CCCCN1CCC(c2ccccc2C)CC1 766900503 LITKQIYNJCBWLO-UHFFFAOYSA-N 241.378 3.588 30 20 BHED C[C@H](NCCC1CCC1)c1ccc(C#N)c(F)c1 776746104 KXBMTQLCUWSTJZ-NSHDSACASA-N 246.329 3.538 30 20 BHED CC(CCc1ccco1)=NOC1CCCCC1 777459187 OBGHFBZTXLTAMZ-UHFFFAOYSA-N 235.327 3.937 30 20 BHED CCCC(CC)=NNc1ccc2[nH]ncc2c1 779819125 PHOAAPGYGWULGM-UHFFFAOYSA-N 230.315 3.541 30 20 BHED CC[C@@H]1CC[C@H](C)CC1=NO[C@@H]1CCCCO1 797402052 UNQXPLDYKFIHSY-OUCADQQQSA-N 239.359 3.732 30 20 BHED CC[C@@H](C)C(C)=NNc1nccnc1C1CCC1 807992322 FPYINNPQAKVOTI-SNVBAGLBSA-N 246.358 3.578 30 20 BHED C1CC(=NOCCC2CC2)C[C@H](C2CC2)C1 814245908 NHCXTYNWYNMBHP-CYBMUJFWSA-N 221.344 3.759 30 20 BHED CC(C)OCCON=C[C@H](C)C1CCCCC1 814937237 ZDJRPJNYXWOOLT-ZDUSSCGKSA-N 241.375 3.630 30 20 BHED CCCCCCCN[C@@H](C)c1nccn1CC 834702539 QHXDYBWDIHVJGM-ZDUSSCGKSA-N 237.391 3.524 30 20 BHED Cc1ccc(CON=CC2CC2)c(Cl)c1 853736304 VOUFKZLLELGIFQ-UHFFFAOYSA-N 223.703 3.561 30 20 BHED C=C1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 887579898 CVMVVRAUIBKJKM-ZDUSSCGKSA-N 243.350 3.610 30 20 BHED C=C(Cl)CSCc1ccc(OC)c(F)c1 913396020 DOBFCCVXFSWFGM-UHFFFAOYSA-N 246.734 3.820 30 20 BHED C=C(Cl)CN1CCC[C@@H]1c1cccc(C)c1 917985584 YDSLUCQZSTXMCV-CQSZACIVSA-N 235.758 3.884 30 20 BHED CCSc1ccccc1CN[C@@H](CC)CC#N 930692214 FKXVDCNDIZENHD-ZDUSSCGKSA-N 248.395 3.580 30 20 BHED C=C(C)CCC(=O)N1CCC[C@H]1c1cccs1 1335511912 FRSSEHATOCEKJJ-LBPRGKRZSA-N 249.379 3.768 30 20 BHED C=CCSc1nc2cc(Cl)ccc2o1 6820083 IWAIZYDFGVKRLW-UHFFFAOYSA-N 225.700 3.759 30 20 BHED C=CCN[C@@H](CC)c1cccc(Cl)c1 19875848 MDOZTRXITDWJHD-LBPRGKRZSA-N 209.720 3.567 30 20 BHED C=C(C)CN(C)[C@H](C)c1cccc(Cl)c1 52162185 RYAOHJMBLJPNEN-LLVKDONJSA-N 223.747 3.909 30 20 BHED C=CCCCN[C@@H](CC)c1ccccc1 70592240 IJCNCQABAZSOJO-AWEZNQCLSA-N 203.329 3.694 30 20 BHED CCN(C[C@H](C)C#N)[C@@H](C)c1cccc(C)c1 155200675 JWLIRNQNNXOSSB-KGLIPLIRSA-N 230.355 3.538 30 20 BHED C=C(Cl)CN[C@@H]1CCCC[C@@H]1C(C)(C)C 167737387 YIKFJNYXIOCATK-NWDGAFQWSA-N 229.795 3.933 30 20 BHED C#CCCCN[C@@H](C)c1oc2ccccc2c1C 178054887 JVOYWCOBOAIXDP-ZDUSSCGKSA-N 241.334 3.805 30 20 BHED C#CCCCCNc1nc2ccccc2cc1C 225361262 BZMHVSKVEHWCTQ-UHFFFAOYSA-N 238.334 3.759 30 20 BHED CCCCCCC[C@H](C)N[C@@H]1CCO[C@@H](C)C1 231888168 QPQWXVHMMBWGSZ-SOUVJXGZSA-N 241.419 3.893 30 20 BHED O=C1/C(=C/c2cccs2)Cc2ccc(F)cc21 254989333 NPNIXYMKEJBLIA-JXMROGBWSA-N 244.290 3.710 30 20 BHED C=C(C)CCNc1ccc(Cl)c(C#N)c1 309007267 QHXABZQKMFSQHN-UHFFFAOYSA-N 220.703 3.590 30 20 BHED C=CCC[C@H](C)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 309582434 QUFMWQXNKOJFAL-ZQDZILKHSA-N 221.388 3.900 30 20 BHED Cc1cnc([C@H](C)/N=C(/O)C[C@H]2C=CCCC2)o1 330327549 VOYOTEKBUOAFBX-RYUDHWBXSA-N 248.326 3.747 30 20 BHED C=CC(C)(C)CN[C@@H](C)Cc1ccccc1F 384906110 AJMMKCVATASZDM-LBPRGKRZSA-N 235.346 3.559 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccccc1 384909374 BLUSLLHPIWKXDF-GFCCVEGCSA-N 203.329 3.549 30 20 BHED C=CC[C@H](CC)NCc1cc(F)cc(Cl)c1 390452130 BOTBLRVYHAMRLH-ZDUSSCGKSA-N 241.737 3.923 30 20 BHED C[C@H](CCC1CC1)N[C@H](C)c1ccc(C#N)cc1 398108814 XEFGPFBSOMVWLU-CHWSQXEVSA-N 242.366 3.788 30 20 BHED CC[C@H](NCC(C)(C)CCC#N)[C@@H]1CC1(C)C 414171194 WYZOSPGVTAQPGE-STQMWFEESA-N 236.403 3.731 30 20 BHED CC#CCCSCc1cc(F)cc(F)c1 437937117 UGZXIDTUOSDXSE-UHFFFAOYSA-N 226.291 3.611 30 20 BHED CCCCCN[C@H](CC)c1ccc(C#N)cc1 447519183 PVUOYMUOMMAVLC-OAHLLOKOSA-N 230.355 3.789 30 20 BHED C=C(C)CCNC/C=C/c1ccc(F)c(F)c1 449479788 WEIUOOSWCZDBNO-ONEGZZNKSA-N 237.293 3.534 30 20 BHED C=CCC1(C(=O)N[C@H](C)CCC2CC2)CCCC1 450692581 MPDMMDJHQKSHKF-CYBMUJFWSA-N 249.398 3.818 30 20 BHED C=CC[C@H](CC)NC(=O)N(C)[C@H](C)CCCC 460765330 BPPHZGQYCCPDMR-OLZOCXBDSA-N 240.391 3.561 30 20 BHED C=C(C)C[C@H](C)C(=O)N1CCCCC(C)(C)C1 474105661 LACXQFFTPNAQTI-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C=CCCCCCSCCOC(C)C 485587659 WRGOZTDYIVAQHI-UHFFFAOYSA-N 216.390 3.891 30 20 BHED CCCN(CC(C)C)[C@H](C)c1ccc(C#N)cc1 508608534 KHLCOJONQCXVAL-CQSZACIVSA-N 244.382 3.987 30 20 BHED C=C(CC)CN1CCC[C@@H]1c1cccc(F)c1 539103286 BXUJTFOIDUVDHJ-OAHLLOKOSA-N 233.330 3.929 30 20 BHED C=C1CCN(C(=O)c2ccc(C(C)C)s2)CC1 545485473 PMWUVZNLYCZXOE-UHFFFAOYSA-N 249.379 3.664 30 20 BHED C=CCCCSCc1cnn(C(C)(C)C)c1 596343023 PXDNQCMZHDUGRX-UHFFFAOYSA-N 238.400 3.838 30 20 BHED C=CCN(CCC#N)Cc1ccc(CCC)s1 598672876 URJVHYALENMELB-UHFFFAOYSA-N 248.395 3.602 30 20 BHED COc1cccc(NCC(C)(C)CCC#N)c1C 600190063 JUBIXKUKXPASPN-UHFFFAOYSA-N 246.354 3.746 30 20 BHED C[C@@H](CCC#N)CN[C@H]1CCCc2ccccc21 602502282 GHVGEJWQGUHCIO-BBRMVZONSA-N 242.366 3.593 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@H]2CCC(C)(C)C2)C1 617781025 CHASYLQRTYJCME-KGLIPLIRSA-N 249.398 3.627 30 20 BHED C=CCCCNCc1csc(C(F)(F)F)c1 623510393 VHXLCXCZMZGQDX-UHFFFAOYSA-N 249.301 3.823 30 20 BHED C=CC[C@H](CC)Nc1ccnc(C(C)(C)C)n1 685038737 UHMRGMLWMUGEEM-NSHDSACASA-N 233.359 3.541 30 20 BHED CCCCCCCCc1ccc(N)c(C=O)c1 725328839 WXZGUTFYNWGZPZ-UHFFFAOYSA-N 233.355 3.984 30 20 BHED C=CCCOC(=O)C[C@@H](C)c1ccc(CC)cc1 739154569 ZESAIEPOXIPFIL-CYBMUJFWSA-N 246.350 3.862 30 20 BHED C=CCCOC(=O)[C@H](C)c1cccc(Cl)c1 744049513 RGQRJOQLSIHFOC-SNVBAGLBSA-N 238.714 3.563 30 20 BHED CCC[C@H](C)C(CC)=NNC(CC)CC 748252295 QHMIBYKHZZMLTJ-NSHDSACASA-N 212.381 3.967 30 20 BHED C=CCC[C@H](O)CN(c1ccc(C)cc1)C(C)C 760830486 HCRPQHPTKCBCCL-INIZCTEOSA-N 247.382 3.537 30 20 BHED C#CCCN[C@@H](c1ccccc1)C1CCCC1 760854703 CSUVUXPFWSCVFM-INIZCTEOSA-N 227.351 3.531 30 20 BHED C#CCCSCc1ccc(OC)c(Cl)c1 763390282 QHFOMLBTGQTBIA-UHFFFAOYSA-N 240.755 3.605 30 20 BHED C1CCC(C2CCC(=NNC3CC3)CC2)CC1 766455560 RWLYKVBKLAAXLH-UHFFFAOYSA-N 234.387 3.865 30 20 BHED C#CCCSCCCCc1ccccc1 774542960 ZCQDECNNLFXHOA-UHFFFAOYSA-N 218.365 3.766 30 20 BHED C1CCC(ON=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)C1 774597194 PGRHOQQKSOBLIV-SAXRGWBVSA-N 233.355 3.758 30 20 BHED CCCC(CC)=NNc1nc2ccccc2[nH]1 776184053 XINKZHCRUTYMJG-UHFFFAOYSA-N 230.315 3.541 30 20 BHED CCC[C@H](C)C(CC)=NNc1ccnc(F)c1 781126934 HNAJCQTWQOTCSX-JTQLQIEISA-N 237.322 3.835 30 20 BHED C=CC[C@@H](CC)NC(=O)CCCCCCC 798551261 PJAGWRSCTSQBOR-CYBMUJFWSA-N 225.376 3.818 30 20 BHED COc1ccccc1CON=C[C@H](C)CC(C)C 799118861 YDLCCSWAXFQMDS-CYBMUJFWSA-N 249.354 3.880 30 20 BHED C=CCCCCCCNC(=O)N(C)CCCC 806004521 JMQLCGYWNSROOA-UHFFFAOYSA-N 240.391 3.564 30 20 BHED N#Cc1cccc(SCOC2CCCC2)c1 808024586 MLAOVQJFXSZADS-UHFFFAOYSA-N 233.336 3.567 30 20 BHED C[C@@H]1/C(=C/c2cncs2)C(=O)c2ccccc21 809159908 ZDZNTGVUKYTGOC-FVNYMESBSA-N 241.315 3.527 30 20 BHED CC(=NOC/C=C/Cl)c1ccc2c(c1)CCC2 811671411 FMMCEKZCWOUZOE-VICKTKDPSA-N 249.741 3.668 30 20 BHED CO[C@@](C)(C=NNc1cc(C)cc(C)c1)C1CC1 814753449 NVTJDNBNTDBQPM-HNNXBMFYSA-N 246.354 3.516 30 20 BHED CCC(=NOCc1ccccc1)C1CCC1 834938071 BIDWHJNXWFVNFZ-UHFFFAOYSA-N 217.312 3.769 30 20 BHED C#CCCCCCC(=O)N[C@@H](C)CC(C)(C)C 837229426 ZOPWYISVMWQQTN-ZDUSSCGKSA-N 237.387 3.511 30 20 BHED Fc1ccc(C=NOCc2ccccc2)cc1F 839419114 JIGKBJVYWSFAGC-UHFFFAOYSA-N 247.244 3.516 30 20 BHED Cc1cccc2nc(SCCC#N)sc12 840353417 NWRYBTQQQJOXOA-UHFFFAOYSA-N 234.349 3.611 30 20 BHED C=CCCC[C@H](C)NC(=O)/C(C)=C\c1ccco1 846946547 JPVHLQXKEFLXBI-HHQWOOOKSA-N 247.338 3.544 30 20 BHED C=CCCCOC(=O)c1ccsc1Cl 853110018 UMKUYMLGWAQGJD-UHFFFAOYSA-N 230.716 3.525 30 20 BHED CC(C)(C#N)CCCCn1cnc(C(C)(C)C)c1 865376457 OBJDTEBEOQRPAG-UHFFFAOYSA-N 247.386 3.901 30 20 BHED CC(C)(C)ON=C1CCC[C@@H]1CCCF 1321257687 CNMITPSGPUUUKK-SNVBAGLBSA-N 215.312 3.707 30 20 BHED Cc1ccc(COc2ccccc2C#N)c(C)c1 1472938481 JKHZRWANVZUMEZ-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C[C@@H](C=O)c1ccc(-c2ccccc2)cc1 84324869 LRLLFQACEIZPCD-LBPRGKRZSA-N 210.276 3.656 30 20 BHED C[C@@H]1CC[C@@H](C)[C@H](Nc2cccc(C#N)c2)C1 85085114 MXYRYTQYLCYMDV-LALPHHSUSA-N 228.339 3.795 30 20 BHED C=CCC[C@H](N[C@H](CC)COC)c1ccccc1 90580840 KOSHUYIXHZPRJZ-CVEARBPZSA-N 247.382 3.709 30 20 BHED N#Cc1cc(Oc2ccc(F)c(Cl)c2)ccn1 111729267 PKNHOIVAZVUUTD-UHFFFAOYSA-N 248.644 3.538 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc2c(c1)CCCC2 132687197 WLKOSNWOPDRRIL-QWHCGFSZSA-N 229.367 3.791 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc2c(c1)CCC2 163313678 DQLZSNNZUNEGAU-QWHCGFSZSA-N 229.367 3.791 30 20 BHED C=CCCC(=O)N1c2ccccc2CC[C@H]1CC 177656003 IAKKUNFLGKJVNJ-CQSZACIVSA-N 243.350 3.711 30 20 BHED C#CCCCN[C@@H](C)c1ccc(Cl)c(F)c1 218263755 ILEYXXFQGZICHS-JTQLQIEISA-N 239.721 3.543 30 20 BHED CC[C@H](C)CSCc1ccc(C#N)cc1 229045410 LAFXJQQBGKJDGP-NSHDSACASA-N 219.353 3.838 30 20 BHED CC(C)(C#N)CCCCN1Cc2ccccc2C1 232532260 VQJMLITUAJGWIZ-UHFFFAOYSA-N 242.366 3.722 30 20 BHED CC[C@@H](N[C@@H](CCC#N)c1ccccc1)C1CC1 271525718 QDDOOLVVTVZLRL-CVEARBPZSA-N 242.366 3.810 30 20 BHED CC[C@H](C#N)SCc1ccc(SC)cc1 279996830 RTIRMHCOFVZANS-LLVKDONJSA-N 237.393 3.944 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCCCc1ncccc1C 295072825 RDUKJEQTIXPLML-UKRRQHHQSA-N 246.398 3.513 30 20 BHED CC(C)(C#N)CCCCN1C[C@H]2CCCC[C@H]2C1 380988222 DJWSVFNSHHFLHD-GASCZTMLSA-N 248.414 3.828 30 20 BHED C=CCCCCN[C@@H](C)c1cc(C)c(C)o1 381308225 KOLOAPHPIZIFQP-LBPRGKRZSA-N 221.344 3.903 30 20 BHED CCCCCCCCN[C@H]1C[C@H](C)n2ccnc21 386159151 FDHYZMACUMTGJD-KBPBESRZSA-N 249.402 3.839 30 20 BHED CCN(Cc1cc(C#N)ccc1F)CC(C)(C)C 386394576 VVTDCRGBHSGSJT-UHFFFAOYSA-N 248.345 3.565 30 20 BHED C=CC[C@H](CC)N[C@@H](C)Cc1cccc(F)c1 393774394 DBQOOBGKGOMWMS-WFASDCNBSA-N 235.346 3.701 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1cc(C)cs1 398197548 DFENOOPAHDRTET-LLVKDONJSA-N 237.368 3.531 30 20 BHED CN(CCC1CC1)CCC1(C#N)CCCCC1 411398710 KFODRJITLWCWSB-UHFFFAOYSA-N 234.387 3.582 30 20 BHED CC(C)[C@H](NCCC#N)c1ccccc1Cl 411473881 WLQMNEAZAWRQDK-ZDUSSCGKSA-N 236.746 3.540 30 20 BHED CC(C)CC[C@@H]1CCC[C@H]1NCC1(CC#N)CC1 430720967 BIMDPOFARXUPPU-LSDHHAIUSA-N 248.414 3.875 30 20 BHED Cc1cc(OCc2cccc(F)c2)ccc1C#N 434645414 KSRFTBLOCCBCAR-UHFFFAOYSA-N 241.265 3.585 30 20 BHED CCC1CCC(CN[C@@H]2CCC[C@@H](C#N)C2)CC1 463281374 HCKDYGPQBCZDHC-QDIHITRGSA-N 248.414 3.875 30 20 BHED C=CCCCC(=O)N[C@H]1CCC[C@@H]1CCCC 479664567 WUZILKLJSPBBFL-KBPBESRZSA-N 237.387 3.818 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@H]1CC[C@H](C)C1 537237907 NHHWGPPXIFEWPX-IHRRRGAJSA-N 237.387 3.674 30 20 BHED C=CCCC(C)(C)NC(=O)Nc1ccc(C)cc1 664468758 BIUHTHKRMXPQRL-UHFFFAOYSA-N 246.354 3.861 30 20 BHED C=C[C@@H]1CCCCN1Cc1cc2ccccc2[nH]1 684023615 ANZZMOCXPIGUEU-OAHLLOKOSA-N 240.350 3.708 30 20 BHED CCCCCCCN(C)Cc1ccco1 740873956 QLZFCZVJKRCWJG-UHFFFAOYSA-N 209.333 3.682 30 20 BHED C#CC[C@H](N[C@H]1CCC(C)(C)C1)c1ccccc1 753687864 DIJLIDUXMUTJEX-HOTGVXAUSA-N 241.378 3.919 30 20 BHED C#CCC(C)(C)C(=O)N[C@H](CC)C1CCCCC1 767079579 SXURHASIGKACSK-CQSZACIVSA-N 249.398 3.511 30 20 BHED C[C@@H]1CCC[C@@H](C=NNc2ccccc2)C1 768357077 HJCBAXMOYOAZLY-CHWSQXEVSA-N 216.328 3.911 30 20 BHED Cc1ccccc1C=NNc1c(C)cccc1F 769839175 AYVHJNKUMDZNLM-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C#CCC(C)(C)C(=O)N[C@@H](C)CC1CCCCC1 772915912 BKTNZHCFRZJANB-ZDUSSCGKSA-N 249.398 3.511 30 20 BHED C=CCC[C@H](C(=O)OCC1CC1)c1ccccc1 778552131 KOQXYEFWNUZTOZ-HNNXBMFYSA-N 244.334 3.690 30 20 BHED Fc1cccc(C2CC(=NNC3CCCC3)C2)c1 781591884 TXIAWCGTPFTHFP-UHFFFAOYSA-N 246.329 3.591 30 20 BHED CCCCCCCCC(=O)N1CC(C)(C)C1 790235491 QPGOLYQDBAWNPR-UHFFFAOYSA-N 225.376 3.605 30 20 BHED CCCC[C@H](CCC)OC(=O)[C@@](C)(C#N)CC 803788234 OISDURGMVWIJMH-GXTWGEPZSA-N 239.359 3.828 30 20 BHED CC[C@@H]1CCC1=NNc1nccc2sccc12 807964267 BXVPBOFYWKYLFY-SECBINFHSA-N 245.351 3.884 30 20 BHED CC1=CC(=NOCCOC(C)C)CC(C)(C)C1 812238145 SRWRSHURFBSDRQ-UHFFFAOYSA-N 239.359 3.550 30 20 BHED CC(CCCC(F)(F)F)=NOCCC1CC1 814246566 SADMJRGDKCEMPL-UHFFFAOYSA-N 237.265 3.912 30 20 BHED CCCCCCCCC[S@](=O)CC1CC1 840885780 YTCGDZMBPWXQLI-HNNXBMFYSA-N 230.417 3.896 30 20 BHED CC[C@@H](CC#N)OC(=O)c1cccc(C(C)C)c1 850978972 DKIIZCVQISRSPD-AWEZNQCLSA-N 245.322 3.659 30 20 BHED CC[C@H]1CCCN([C@@H](C#N)c2ccccc2)CC1 1167377983 XKZDOZFCPNBPTA-HOCLYGCPSA-N 242.366 3.763 30 20 BHED CC[C@H]1CCN(CCC2(C#N)CCCCC2)[C@H]1C 1459992813 UOMFTVHGNWJOQL-GJZGRUSLSA-N 248.414 3.971 30 20 BHED CCCCN(CCCC)C[C@H](C)CCC#N 1658251685 WLKNMUCMWHVENQ-CQSZACIVSA-N 224.392 3.828 30 20 BHED CC[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 36805542 PWUVHGJXVZNBHT-QMMMGPOBSA-N 242.244 3.787 30 20 BHED CC[C@@H](C)[C@@H](C)Nc1ccc(CC#N)cc1 37071192 WGMLUYCKHDMYMB-VXGBXAGGSA-N 216.328 3.599 30 20 BHED C=CCOc1ccccc1CN[C@@H](C)CC1CC1 70101542 HPSPDKYWIDEFJG-ZDUSSCGKSA-N 245.366 3.530 30 20 BHED N#Cc1cccc(Cl)c1NCCC(F)(F)F 78591574 XRTFYAQYDHRZDX-UHFFFAOYSA-N 248.635 3.576 30 20 BHED N#Cc1ccc(/C=C\C(=O)c2ccsc2)cc1 96035633 VSUJHQFYOZUNQU-WAYWQWQTSA-N 239.299 3.516 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCc2c(C)cccc21 129628282 NOBBIHVQQWTYRB-IUODEOHRSA-N 215.340 3.537 30 20 BHED CCc1ccc(C(=O)/C=C/c2cncs2)s1 129973772 GIEYZXXAEDUFIW-HWKANZROSA-N 249.360 3.663 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)C1CCSCC1 187422416 RRTHDCYMKRQMHK-STQMWFEESA-N 241.444 3.853 30 20 BHED C#CCCCN[C@H](CC)c1ccc(CC)cc1 224306276 OOXJAVGXENQFRS-MRXNPFEDSA-N 229.367 3.703 30 20 BHED C=CCCCCC[C@H](C)NCc1nccs1 390679280 YZFTWVGDQQVNTA-LBPRGKRZSA-N 238.400 3.758 30 20 BHED N#Cc1cc(-c2ccsc2)nn1C1CCCC1 409443096 GZLLAFKGHMUCTL-UHFFFAOYSA-N 243.335 3.598 30 20 BHED N#C[C@@H]1CC[C@@H](Nc2cccc3c2CCCC3)C1 442855965 QQBWMAREOHXAAH-TZMCWYRMSA-N 240.350 3.670 30 20 BHED Cc1cc(C)c(CNCC(C)(C)CC#N)cc1C 459685648 FPRXBWBCCQOXHI-UHFFFAOYSA-N 244.382 3.641 30 20 BHED C=CCCCC[C@H](C)NCc1ccc(C)c(C)n1 459712871 NQBMQYWZRCETJH-AWEZNQCLSA-N 246.398 3.923 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CCCC(C)(C)C1 467873352 YAWVPDHEPZOJLT-CQSZACIVSA-N 249.398 3.840 30 20 BHED C=C(CC)CSCc1noc(C(C)(C)C)n1 537993021 FKASMJCFIOCMPX-UHFFFAOYSA-N 240.372 3.567 30 20 BHED CC/C=C/CCSCC1(CC#N)CC1 596364349 OHKPCXXFPQZIQR-ONEGZZNKSA-N 209.358 3.770 30 20 BHED C=C1CCN(C(=O)C[C@@H](C)CCC=C(C)C)CC1 648770484 JHEJCSRJTBZVTF-HNNXBMFYSA-N 249.398 3.938 30 20 BHED C=CCCCCCN[C@@H](C)c1cnc(C)s1 655807039 HMLAMJIOFAQSIT-NSHDSACASA-N 238.400 3.849 30 20 BHED C=CCCCOC(=O)[C@H](C)c1ccc(CC)cc1 735534187 PNAZUNSCTZPOMF-CYBMUJFWSA-N 246.350 3.862 30 20 BHED CC(CC1CCC1)=NNc1ccc2[nH]ncc2c1 779815495 AVFDCXDREGXWEJ-UHFFFAOYSA-N 242.326 3.541 30 20 BHED C=CCCN(C)C(=O)[C@H](CC)CCCCC 786224451 JFOCEEUKWSTVFM-CYBMUJFWSA-N 225.376 3.627 30 20 BHED CC1(C)CCC1=NNc1ccc(C#N)c(Cl)c1 789038355 VUCJNHUWBPLNEH-UHFFFAOYSA-N 247.729 3.800 30 20 BHED C=CCCCCC[C@H](C)N[C@@H](C)c1cnn(C)c1 793533892 KZMWLPZMAMYUAZ-KBPBESRZSA-N 249.402 3.596 30 20 BHED COc1ccccc1CON=C(C)C1CCCC1 799116960 DLYUYIBXWZLVOE-UHFFFAOYSA-N 247.338 3.778 30 20 BHED Cc1sccc1C=NNc1ccccc1F 814789649 LRVPEICNIRRKAN-UHFFFAOYSA-N 234.299 3.642 30 20 BHED CCC(=NNc1cc(Cl)ccn1)c1ccco1 814898908 XFAYZSBSACQWLG-UHFFFAOYSA-N 249.701 3.554 30 20 BHED N#C[C@H]1CCC[C@@H](OC(=O)CC2CCCCC2)C1 839041531 DJFHEEXGLFHXHA-UONOGXRCSA-N 249.354 3.582 30 20 BHED C=C(C)C(C)(C)C(=O)OC1CCC(F)(F)CC1 860974023 FCELUHVPCVUQMS-UHFFFAOYSA-N 246.297 3.710 30 20 BHED C=CC(C)(C)CC(=O)Nc1ccsc1C 881299559 OFYKZMNJJVFWPG-UHFFFAOYSA-N 223.341 3.597 30 20 BHED C=C1CCC(C(=O)N2CCC3(CCCC3)C2)CC1 889279378 IOMFWQRFPITJSW-UHFFFAOYSA-N 247.382 3.526 30 20 BHED Cc1cccc2c1[C@H](C)C[C@H]2NCC(C)(C)C#N 903100745 WVKRCQREHPSZPO-TZMCWYRMSA-N 242.366 3.683 30 20 BHED CC(=NNc1ccccn1)c1cc(C)sc1C 916273464 FKFRJONZVZPFAN-UHFFFAOYSA-N 245.351 3.596 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1ccc(F)cc1F 929182844 VCRHSWGUJHBERM-VIFPVBQESA-N 239.265 3.506 30 20 BHED CC[C@@H]1CCC[C@H](Nc2cccc(CC#N)n2)C1 1321329437 VOZSGXWJXHSSCO-OCCSQVGLSA-N 243.354 3.528 30 20 BHED COc1cccc2c1CCCC2=NOC(C)(C)C 1321350374 PTQJUGKFRKUOBF-UHFFFAOYSA-N 247.338 3.551 30 20 BHED C[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1 19950801 VJTCQBCJJOVWOO-RISCZKNCSA-N 214.312 3.549 30 20 BHED CCCC[C@H](C)Nc1ccc(CC#N)cc1 37301881 BFLNSKXKIVPEMF-LBPRGKRZSA-N 216.328 3.743 30 20 BHED Cc1ccc(C(=O)/C=C/c2c(F)cccc2F)o1 73116288 CONZKXIGLACGID-VOTSOKGWSA-N 248.228 3.762 30 20 BHED C=CCC(CC=C)C(=O)N[C@H](C)c1ccccc1 120831641 LXQUXFLNJWNFPC-CYBMUJFWSA-N 243.350 3.632 30 20 BHED Cc1cccc2c1[C@@H](C)/C(=C/c1cccnc1)C2=O 157604707 SHKOTDNJZFFWOW-ZENNRRHLSA-N 249.313 3.773 30 20 BHED CCCCCCCC(=O)N[C@H]1CC[C@@H](C)C1 159770184 JQLDIEMGFXBYCP-OLZOCXBDSA-N 225.376 3.652 30 20 BHED C=CCCN[C@H](CC)c1ccccc1OCC 179739088 ZGYABEDJSPMNFU-CQSZACIVSA-N 233.355 3.702 30 20 BHED C=CCCCC(=O)N1CCCC[C@H]1CCC 183066719 YRAAYWBMBRGUHZ-CYBMUJFWSA-N 223.360 3.524 30 20 BHED Cc1c([C@@H](NCC#N)C(C)C)oc2ccccc12 183256550 HNMHMNBVUAWZLO-AWEZNQCLSA-N 242.322 3.552 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@@]1(C)C(C)C 186918997 VTQIWDLGALMODP-YDHLFZDLSA-N 237.387 3.530 30 20 BHED CC#CCCOc1ccccc1-c1nccs1 187218250 NTDYZXAFDLRELX-UHFFFAOYSA-N 243.331 3.602 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cc(F)ccc1F 191794994 OGGZSCCLXLJOIW-CYBMUJFWSA-N 239.265 3.506 30 20 BHED N#Cc1cccc(CSC2CCCC2)c1F 223537971 GUHVCMNQWUYAQP-UHFFFAOYSA-N 235.327 3.873 30 20 BHED Cc1ccccc1CNc1cc(F)cc(C#N)c1 227608936 GVTBRVOUCNHDLV-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CC[C@@H](C)CN(C)[C@H](C)c1ccc(C#N)cc1 246301893 FIYJWMISGIPURJ-CHWSQXEVSA-N 230.355 3.597 30 20 BHED C=C(Cl)CN1CCC[C@@](C)(c2ccccc2)C1 303585120 LDHNIRHZZAUOND-OAHLLOKOSA-N 249.785 3.793 30 20 BHED C=CCNc1c(F)cc(Cl)cc1Cl 306165069 HYGLDBZBXKRAIE-UHFFFAOYSA-N 220.074 3.730 30 20 BHED C=C(C)CCN[C@@H](C)c1cc(F)ccc1F 309550210 HYWNCRMXJXCFMH-JTQLQIEISA-N 225.282 3.582 30 20 BHED C=CC[C@H](CC)NC(=O)CCC1CCCCC1 410142236 KFBKVPJIPDYTIL-AWEZNQCLSA-N 237.387 3.818 30 20 BHED CC[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1 426995161 NDDFKMOGHBAXQN-OAHLLOKOSA-N 247.769 3.566 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc(C)c(C)c1 429869621 REFUOYJUANXGTR-UHFFFAOYSA-N 231.339 3.844 30 20 BHED CCN(CCCC#N)c1ccc(Cl)cc1F 440623984 LCYDFJFAMWPJBC-UHFFFAOYSA-N 240.709 3.609 30 20 BHED C=CC(C)(C)CNC(=O)C[C@H](C)c1ccccc1 452779252 SKSUOEHBYJQCEY-ZDUSSCGKSA-N 245.366 3.509 30 20 BHED CC#CCCN1CCC[C@H]1/C=C/c1ccccc1 462334681 VCEDKHHPBGSZKR-UJGDBWEASA-N 239.362 3.578 30 20 BHED CC#CCCN[C@H]1CCC[C@@H]1c1ccc(C)cc1 482159979 ZOVMTFHMKJIOMP-SJORKVTESA-N 241.378 3.634 30 20 BHED C=CCCSCCN[C@@H](C)c1ccsc1 595057298 CAUUVSJTTZJJDX-NSHDSACASA-N 241.425 3.708 30 20 BHED CCCN(CCC)[C@H](C)c1ccc(C#N)cc1 604492867 LKAAJNYNGQVTTA-CYBMUJFWSA-N 230.355 3.741 30 20 BHED C#C[C@H](N[C@@H](C)CCCC(F)(F)F)C(C)(C)C 702226110 AKCFOTYZKPBZGO-QWRGUYRKSA-N 249.320 3.745 30 20 BHED N#CCC1(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 723669249 LMPIUTWGGJHKIX-RRFJBIMHSA-N 246.398 3.629 30 20 BHED CCCCCCCCC(=O)N[C@@H](C)CSC 736051604 VJHVNYWTNBJBBE-LBPRGKRZSA-N 245.432 3.605 30 20 BHED COCCON=C1CCC[C@@H](C(C)(C)C)CC1 746579720 WQRXPQVUDBFGBM-GFCCVEGCSA-N 241.375 3.632 30 20 BHED CC[C@@H]1CCCC(=NNc2cc(C)ccn2)C1 755907161 VUXQHALVANDVNW-GFCCVEGCSA-N 231.343 3.758 30 20 BHED Cc1ccc(F)c(NN=Cc2sccc2C)c1 759654104 ZVNBKKGTNHMLEK-UHFFFAOYSA-N 248.326 3.950 30 20 BHED FC(F)(F)CON=C1CC[C@H]2CCCC[C@@H]2C1 764835652 NECYOLFCWZLXDX-NXEZZACHSA-N 249.276 3.912 30 20 BHED Fc1ccc(NN=C2CC3(CCC3)C2)cc1 772830676 LCBKVFKNEOSLRP-UHFFFAOYSA-N 218.275 3.558 30 20 BHED Cc1cc(C)c(C=NNC2CCCCC2)c(C)c1 786043701 SPVPOBRCDGUTJX-UHFFFAOYSA-N 244.382 3.868 30 20 BHED CC(=NNc1ncccc1C)c1sccc1C 790185603 HMZFSPZICSMGFQ-UHFFFAOYSA-N 245.351 3.596 30 20 BHED FCC[C@H]1CCCC1=NNc1ccccc1 794856958 UKZIJAZRONMADW-LLVKDONJSA-N 220.291 3.614 30 20 BHED CCCCCCCS(=O)(=O)[C@@H](CC)CCC 794920396 FTSZZVUHZABURV-ZDUSSCGKSA-N 248.432 3.950 30 20 BHED CC[C@H]1CCC1=NN[C@@H](C)c1ccccc1 807967206 YMDWTIQLPLMPMA-RYUDHWBXSA-N 216.328 3.513 30 20 BHED C#C[C@H](CC)NC[C@H](CCC)c1ccccc1 809685720 MVTUBBRYGUOGTR-JKSUJKDBSA-N 229.367 3.572 30 20 BHED c1ccc(C(CC2CC2)=NOC2CCC2)cc1 812237693 BWGVEXSKSBUPKS-UHFFFAOYSA-N 229.323 3.760 30 20 BHED C=CCC[C@H](C)NC[C@@]1(C)CC1(Cl)Cl 824773738 NIIIDYAJTXIDSE-VHSXEESVSA-N 236.186 3.515 30 20 BHED C[C@@H](CC(C)(C)C#N)OC(=O)/C=C/C1CCCC1 851206872 XFZONEVENKOXQG-BCPZQOPPSA-N 249.354 3.604 30 20 BHED CCC[C@H](C)[C@@H](C)OC(=O)C(C#N)(CC)CC 860677576 NMDBNRQCGAFHPS-NWDGAFQWSA-N 239.359 3.684 30 20 BHED C=C1CCC(C(=O)N(C)C[C@@H]2CC=CCC2)CC1 889922288 DIRMFZHWGTXXMF-CQSZACIVSA-N 247.382 3.548 30 20 BHED C=CCCCC[C@@H](C)N[C@H](C)Cc1cccnc1 897966823 HJKLHVHMUVSAGF-HUUCEWRRSA-N 246.398 3.737 30 20 BHED N#CC1(CCCCN2CCC[C@H]2C2CC2)CCC1 929512183 WKZHBPNZURIECL-HNNXBMFYSA-N 246.398 3.725 30 20 BHED C=CCN[C@@H](C)c1ccc(Cl)cc1Cl 19875863 LGTPOKPBCFORJQ-QMMMGPOBSA-N 230.138 3.830 30 20 BHED Cc1ccccc1C(=O)/C=C\c1ccccc1 33682752 PCAISRUDFVOFHM-QXMHVHEDSA-N 222.287 3.891 30 20 BHED C=CCn1c(SCCC)nc2ccccc21 34783803 MSCSPMFGMBOCAO-UHFFFAOYSA-N 232.352 3.724 30 20 BHED CCCCNc1cccc(OCCCC#N)c1 37777354 JEUJOTUENRSQLQ-UHFFFAOYSA-N 232.327 3.581 30 20 BHED COc1ccc(C)cc1NCC(C)(C)CCC#N 92142869 NZJYSAAVKNHAAJ-UHFFFAOYSA-N 246.354 3.746 30 20 BHED CCCCCCCCCCNC(=O)C1CC1 105581282 KBUHUONBZSPQCT-UHFFFAOYSA-N 225.376 3.653 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 119353371 LOXIHRPFWXWGMY-UWVGGRQHSA-N 241.281 3.513 30 20 BHED C=CCCS[C@H](C)c1nc(C(C)C)no1 151949511 MKQIVEZOESNARW-SECBINFHSA-N 226.345 3.563 30 20 BHED C=C(Cl)CN[C@H](CC)c1ccc(F)cc1 161749924 KDALGUXPULAEBN-GFCCVEGCSA-N 227.710 3.619 30 20 BHED C=CC[C@H](C)N[C@H](CC)c1ccccc1F 163181739 IGLMGZWBQFTWSG-SMDDNHRTSA-N 221.319 3.831 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cc(C)ccc1OC 163333743 IIIHVFUXJKVAFX-OLZOCXBDSA-N 233.355 3.619 30 20 BHED C=CCC1(C(=O)NC2CCCCCC2)CCC1 190404751 IUNORSPCLNKEBI-UHFFFAOYSA-N 235.371 3.572 30 20 BHED Cc1ccc(C(=O)/C=C\c2ccc(F)cc2F)o1 209107711 HHNVDRBPTRNEHD-XQRVVYSFSA-N 248.228 3.762 30 20 BHED N#Cc1ccc(OCCC2CCC2)c(Cl)c1 229464962 NISQXNBXYTVBNL-UHFFFAOYSA-N 235.714 3.781 30 20 BHED C[C@@H]1CC[C@@H](C)N1c1ccc(C#N)c(Cl)c1 301873581 GARDFINDKTXJCG-NXEZZACHSA-N 234.730 3.589 30 20 BHED C#CCCCCN[C@@H]1C[C@@H](C)CC[C@@H]1CC 309689429 IROFVWPTCQQCRL-SOUVJXGZSA-N 221.388 3.594 30 20 BHED C=CCCN[C@]1(c2ccc(Cl)cc2)C[C@@H]1C 309761620 ITSWDYLLAGNELQ-SMDDNHRTSA-N 235.758 3.741 30 20 BHED C[C@@H]1CC[C@@H](C)N1CCCCC(C)(C)C#N 336671611 ZQKFWOXWAADXHO-CHWSQXEVSA-N 222.376 3.579 30 20 BHED C=C[C@@H](C)NC(=O)Nc1ccc(C2CC2)c(C)c1 360822344 QCTPGSUHKOSUSG-LLVKDONJSA-N 244.338 3.568 30 20 BHED CCCCCCCS[C@H](C)C(C)=O 379397456 NICNLYYCBCSBRC-LLVKDONJSA-N 202.363 3.668 30 20 BHED C=CCNC1(c2cccc(Cl)c2)CCCC1 381478770 BNDWCVWGOGJQBF-UHFFFAOYSA-N 235.758 3.885 30 20 BHED C=C(C)CCN[C@@H]1C[C@H](C)c2c(C)ccc(O)c21 386787774 NSMJLDPWUMPTDZ-QWHCGFSZSA-N 245.366 3.805 30 20 BHED C=CCCCCCN(C)Cc1ccnn1C(C)C 410380202 RVLXBNZCYFDSDW-UHFFFAOYSA-N 249.402 3.642 30 20 BHED CC[C@@H](C)[C@@H](C)NCCC1(C#N)CCCCC1 411470184 NTUPERSMXMCLDT-ZIAGYGMSSA-N 236.403 3.875 30 20 BHED C=CCNc1ncnc2scc(C(C)(C)C)c12 427180977 AQBPGBBXRJFQJU-UHFFFAOYSA-N 247.367 3.587 30 20 BHED C=C(C)CCNCC1(CCOC)CCCCC1 449475909 LWWKDLZDJZPEED-UHFFFAOYSA-N 239.403 3.529 30 20 BHED C=CCCCCNC(=O)[C@@H](C)CCC(C)(C)C 471671649 PMPSIIDAWBVDPD-ZDUSSCGKSA-N 239.403 3.921 30 20 BHED COC1(CSc2ccccc2C#N)CCCC1 478721916 MOMCFNUOPUEMHK-UHFFFAOYSA-N 247.363 3.610 30 20 BHED C=C(CC)CN(CCC)Cc1ccc(C#N)cc1 539094707 COADYHVZRBKBBT-UHFFFAOYSA-N 242.366 3.736 30 20 BHED CC#CCCSCc1c(F)cccc1F 547703738 ZQAIQGSEURSMDK-UHFFFAOYSA-N 226.291 3.611 30 20 BHED C=CCCOc1ccc2ccc(OC)cc2c1 555427028 PDSAQKDBDXGPJW-UHFFFAOYSA-N 228.291 3.803 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H]1CCC(C)=C(C)C1 575804345 MOPXCGLSLQBDKL-GJZGRUSLSA-N 249.398 3.984 30 20 BHED C[C@@H](CCC#N)CN(C)C1CCCCCC1 602429975 JEUVEIHWKSIKTC-ZDUSSCGKSA-N 222.376 3.581 30 20 BHED COc1cc(C)cc(NC[C@@H](C)CCC#N)c1C 602641535 SKZMWUBDFFFLQQ-NSHDSACASA-N 246.354 3.664 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@@H](CC=C)C1 617782862 NZJYYDNNPLJVEU-CQSZACIVSA-N 247.382 3.570 30 20 BHED C=CCCCNc1ccc(-n2cccn2)cc1C 682709267 GUWJZNOQSZUMFS-UHFFFAOYSA-N 241.338 3.559 30 20 BHED C[C@H](NN=C1CCC[C@H]1C)c1ccccc1 729142424 SLBMVBIIZJVNKW-NEPJUHHUSA-N 216.328 3.513 30 20 BHED CCCCCCCC(=O)Nc1nc(CC)co1 752982806 YKICALCYEKTBKQ-UHFFFAOYSA-N 238.331 3.536 30 20 BHED CCCCCCCCNC(=O)N(CC)CCC 755079469 UYIHMHOCAPNJFC-UHFFFAOYSA-N 242.407 3.788 30 20 BHED CON=CCCCc1cccc(C(F)(F)F)c1 769776228 YROYICKNPCUOGN-UHFFFAOYSA-N 245.244 3.660 30 20 BHED CC(C)c1nccnc1NN=C1CCCC1(C)C 773085420 IJIRBKDFQJRLFG-UHFFFAOYSA-N 246.358 3.578 30 20 BHED C#CCN(CCC(=C)C)[C@H]1CCc2ccccc21 775577212 LISDSGWOQMGKTL-KRWDZBQOSA-N 239.362 3.575 30 20 BHED CC[C@H]1CCCCC1=NNc1ccnc(F)c1 781134066 PMDWEJRQSFCHEI-JTQLQIEISA-N 235.306 3.589 30 20 BHED CCCC[C@H](CCC)OC(=O)CC(C)(C)C#N 785080580 QZYSJVSEMSWDCF-LBPRGKRZSA-N 239.359 3.828 30 20 BHED C#CCCCC(=O)Nc1ccc(C2CCC2)cc1 785456478 VDVBGMWVVSTVRR-UHFFFAOYSA-N 241.334 3.696 30 20 BHED Cc1cccnc1NN=C[C@@H](C)c1ccccc1 790185611 HSMVKBONDIKYCP-CYBMUJFWSA-N 239.322 3.591 30 20 BHED C=CCC(C)(C)C(=O)Oc1ccc(C)c(C)c1 796731460 LIAFLRJODIASER-UHFFFAOYSA-N 232.323 3.811 30 20 BHED C=CCCCCCCCCNC(=O)c1cc[nH]c1 807845065 VLPHOOVASPDQCW-UHFFFAOYSA-N 248.370 3.661 30 20 BHED C=CCCCCCCCCNC(=O)C(C)(F)F 808479214 AIAZQDLWDJSKAZ-UHFFFAOYSA-N 247.329 3.675 30 20 BHED C(=NOCCC1CC1)[C@@H]1C[C@H]1c1ccccc1 814245206 LGPXQNWOEJKYFL-GJZGRUSLSA-N 229.323 3.593 30 20 BHED Cc1ccc(C)c(NN=Cc2ccc(Cl)o2)c1 814753713 WRROTRDYOJKKKK-UHFFFAOYSA-N 248.713 3.996 30 20 BHED C=CCCCNc1ccc(OC)c(SC)c1 841699309 OQCBOSGYVUQEHT-UHFFFAOYSA-N 237.368 3.795 30 20 BHED C=CC(C)(C)CC(=O)N1C[C@H](C)CCC[C@H]1C 878956208 ICMJYYXJBGWNGC-CHWSQXEVSA-N 237.387 3.626 30 20 BHED C=C[C@@H](CC)CC(=O)N1CCCC12CCCCC2 935119990 DMIAQWUCTPGNTI-AWEZNQCLSA-N 249.398 3.914 30 20 BHED C=C(C)CCC(=O)N(CC)Cc1ccccc1C 1120649569 RTIWCMDGPWXBJJ-UHFFFAOYSA-N 245.366 3.700 30 20 BHED CCCC[C@H](CC)Nc1cc(C#N)ccc1OC 1652158957 PWKNIOYZPYIWOM-ZDUSSCGKSA-N 246.354 3.948 30 20 BHED C[C@H](NC1CCCCC1)c1cccc(C#N)c1 37509936 ONJMLWYYDGKIMG-LBPRGKRZSA-N 228.339 3.542 30 20 BHED N#Cc1cc(Oc2ccc3ccccc3c2)ccn1 61815337 LSWQATLHCOPNFU-UHFFFAOYSA-N 246.269 3.899 30 20 BHED C=CCOc1ccccc1CN[C@H]1CCC[C@@H]1C 71206459 HMIVFEUPDKCFQD-ZFWWWQNUSA-N 245.366 3.530 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCC[C@H](C)C1 191827202 YEUUWSKLSLCMRO-KCQAQPDRSA-N 237.387 3.626 30 20 BHED CC(C)=NN=C(c1ccccc1)c1ccccc1 196072205 ZRNKPHAAWMPOIW-UHFFFAOYSA-N 236.318 3.920 30 20 BHED CC1(C)CC[C@@H](Nc2cc(F)cc(C#N)c2)C1 227631132 ZNKDVIBPZXIXNS-GFCCVEGCSA-N 232.302 3.688 30 20 BHED C[C@H]1[C@H](C)CCC[C@H]1Nc1cccc(C#N)c1 252179185 PRFLKBDIDORONR-TYNCELHUSA-N 228.339 3.795 30 20 BHED CC(C)(C#N)CCN[C@H](c1ccccc1)C1CC1 272012427 KQWSZKSDXPGRLV-OAHLLOKOSA-N 242.366 3.667 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@@H](CC)c1ccccc1 281146735 VRKLDMLUFAFPEA-CABCVRRESA-N 245.366 3.651 30 20 BHED C=CCC[C@H](CC)Nc1cccc(C#N)c1 310007458 HGVHLNCIOQLMJS-ZDUSSCGKSA-N 214.312 3.715 30 20 BHED C=CCCN[C@H](CC(C)C)c1ccccc1OC 338566183 GDLHYUDRSQKWTE-OAHLLOKOSA-N 247.382 3.948 30 20 BHED C=CCCC1(C(=O)N(C)C[C@H]2CC=CCC2)CC1 356712218 MKYVTADFRPSEKE-AWEZNQCLSA-N 247.382 3.548 30 20 BHED C=C(CC)CSc1nnc(C2CC2)n1C1CC1 358577517 XYQNAEQCJMUPPG-UHFFFAOYSA-N 249.383 3.549 30 20 BHED CC1(C)CCC[C@H](c2noc(CCCC#N)n2)C1 361266632 UWVCPSUVBKRHRH-NSHDSACASA-N 247.342 3.600 30 20 BHED C=CCCN[C@H](C)c1ccc(C2CC2)cc1 419324157 ACZDBWLEHOMUNS-GFCCVEGCSA-N 215.340 3.791 30 20 BHED C=CCCc1noc(/C=C(\C)C(C)(C)C)n1 453228076 GCVDMGQZPHXWLC-MDZDMXLPSA-N 220.316 3.638 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H](CCOC)C(C)(C)C 511055224 WQUFPLXIBCIMBF-IHRRRGAJSA-N 241.419 3.628 30 20 BHED C=CCC(CC=C)C(=O)NCCCC(C)(C)C 532070397 ZAIYOGRHONJXAG-UHFFFAOYSA-N 237.387 3.697 30 20 BHED CCCCC[C@H]1CCCN1c1cccc(C#N)n1 532260932 LKRNTKAHPVCBQW-AWEZNQCLSA-N 243.354 3.502 30 20 BHED C=CC[C@H](C)[C@H](C)NCC1(OCC)CCCC1 556232396 JFTHNWRUQGTGPV-KBPBESRZSA-N 239.403 3.526 30 20 BHED C=CCC(C)(C)c1noc([C@@H]2C[C@H]3CC[C@H]2C3)n1 560029935 ZOLVRHNLELXRBH-SDDRHHMPSA-N 246.354 3.827 30 20 BHED C=CCCOc1ccc(OC(F)(F)F)cc1 563493563 XUEXXGDSPOXKLU-UHFFFAOYSA-N 232.201 3.540 30 20 BHED N#C[C@@H](Sc1ccnc2ccccc12)C1CC1 601075689 HGAGFYKVYNZSFE-CQSZACIVSA-N 240.331 3.629 30 20 BHED C[C@H]1CCCC1=NNc1ccc2ccccc2n1 729141111 SJFZZRIYJCTQDK-NSHDSACASA-N 239.322 3.823 30 20 BHED C=CCN(CC1CCCCC1)C(=O)/C=C/C=C\C 732643817 GZKYBVGFMRYZEQ-OIVCMARKSA-N 247.382 3.714 30 20 BHED CCCCCCCC(=O)N1C[C@H](C)C[C@@H]1C 740839591 MHNVBYWRGULCAN-OLZOCXBDSA-N 225.376 3.604 30 20 BHED C#Cc1ccccc1C(C)=NOCc1ccccc1 753695726 BBFYQWPXBCCSBK-UHFFFAOYSA-N 249.313 3.609 30 20 BHED Cc1cc(C)cc(NN=Cc2cc(C)oc2C)c1 767897355 YGDUMPWQNGRSSF-UHFFFAOYSA-N 242.322 3.959 30 20 BHED C=CCN(Cc1ccc([C@H]2C[C@H]2C)o1)C(C)C 768547913 TVEGSWQVMOOHFZ-OCCSQVGLSA-N 233.355 3.799 30 20 BHED CCCC[C@H](CC)CSCCO[C@H](C)C#N 802749631 IOXLGJOZNYYSOB-OLZOCXBDSA-N 243.416 3.865 30 20 BHED CCc1cccc2c(C=NOC3CCC3)c[nH]c12 812235905 RTWWWNGCYIUPPS-UHFFFAOYSA-N 242.322 3.633 30 20 BHED Cl/C=C/CON=C1CCCC12CCCC2 814934192 OCXGNBHDBXEGBD-POHYJHJGSA-N 227.735 3.856 30 20 BHED C=CCCOC(=O)c1ccc(C(C)C)nc1CC 815353115 QAVPXVPNZLGENA-UHFFFAOYSA-N 247.338 3.500 30 20 BHED C=C(C)CCN[C@H](CC)c1ccc(F)cc1O 834883930 VELWUWLDAGXRKF-CYBMUJFWSA-N 237.318 3.538 30 20 BHED C=CCON=C1CCC[C@H](c2ncccc2C)C1 835013043 FNYPSGUAVLTVCX-ZDUSSCGKSA-N 244.338 3.606 30 20 BHED C=C[C@@H](C)ON=C(C)Cc1ccccc1C 844620953 BGTNHJMPZIHGIE-CYBMUJFWSA-N 217.312 3.505 30 20 BHED CCN(CCCCC1(C#N)CCC1)C1CCC1 929681238 URCAPRZRTCQZRS-UHFFFAOYSA-N 234.387 3.725 30 20 BHED C=CCCCCN(C)[C@H]1CC[C@H](SC)C1 1324487576 XYJMSZKFGKBLSV-STQMWFEESA-N 227.417 3.559 30 20 BHED C=C[C@H](CC)CC(=O)N[C@H](C)c1cc(C)oc1C 1334990691 YOJVIFZWWGNOQA-DGCLKSJQSA-N 249.354 3.676 30 20 BHED CCC1(CC)CCN(C[C@H](C)CCC#N)CC1 1474454174 ZJUYHMPLJQPPOV-CQSZACIVSA-N 236.403 3.828 30 20 BHED C=C(Cl)COc1ccccc1Br 19487240 FBRLDTJSBLBQMH-UHFFFAOYSA-N 247.519 3.580 30 20 BHED C[C@H]1CCC[C@H](C)N1Cc1ccc(CC#N)cc1 34722407 IANFTYXYXIWKJT-KBPBESRZSA-N 242.366 3.516 30 20 BHED O=C(/C=C/c1ccc(F)cc1F)c1ccccc1 57435439 FRFZCZKLXOMYJZ-VQHVLOKHSA-N 244.240 3.861 30 20 BHED C=C(CC)COc1ccc(C(C)=O)cc1Cl 127150827 WGAKXZKCGXSEMR-UHFFFAOYSA-N 238.714 3.888 30 20 BHED C=CCN(CC=C)C(=O)C[C@H](C)CC(C)(C)C 143480825 WZUGQRFRUXUEKH-ZDUSSCGKSA-N 237.387 3.649 30 20 BHED Cc1cccc([C@H](C)NCCC(C)(C)C#N)c1 160257981 ZSXPAHSJMIYJKN-ZDUSSCGKSA-N 230.355 3.586 30 20 BHED C=CC[C@H](C)N[C@H]1CCCC[C@H]1C(C)C 161644708 JBDWOKYNWMKABP-IHRRRGAJSA-N 209.377 3.755 30 20 BHED C=CCCOc1ccc(C(F)(F)F)c(C#N)c1 164499347 PUEZXADLVWGNGC-UHFFFAOYSA-N 241.212 3.532 30 20 BHED O=C(/C=C/c1coc2ccccc12)c1ccncc1 182245461 RBNGQORHOGOVFV-AATRIKPKSA-N 249.269 3.724 30 20 BHED C[C@H](S)c1c(Cl)cccc1Cl 220664401 HECNYBRAZCFCLA-YFKPBYRVSA-N 207.125 3.984 30 20 BHED CC(C)=CCNc1ccc(Cl)cc1C#N 232640635 USTYPNBOCUPGKX-UHFFFAOYSA-N 220.703 3.590 30 20 BHED CC(C)[C@@H](C)Sc1nccc(C#N)c1Cl 232838652 LXUDHGMNPNKZQG-MRVPVSSYSA-N 240.759 3.743 30 20 BHED Cc1nsc(N[C@@H]2CC[C@@H](C)C[C@H]2C)c1C#N 252606423 QNNSBULVZFNTLW-KBVBSXBZSA-N 249.383 3.560 30 20 BHED CSc1ccccc1N=Cc1ccccc1O 255884251 SROVKQHBLTZZID-UHFFFAOYSA-N 243.331 3.865 30 20 BHED Cc1cc(C#N)cc(NC[C@H]2C[C@H]3CC[C@H]2C3)c1 308158776 VBOCGJWMBURDTL-AEGPPILISA-N 240.350 3.715 30 20 BHED C=C[C@@H](C)NCC1CCC(C(F)(F)F)CC1 309466012 PWHIINHCPDMTEO-KPPDAEKUSA-N 235.293 3.519 30 20 BHED C=CCCCN[C@@H](c1ccccc1)C(F)(F)F 310159618 LLKSZLDCTYXPJJ-LBPRGKRZSA-N 243.272 3.846 30 20 BHED Cc1nc(N[C@H]2CCC2(C)C)c(Cl)cc1C#N 310164157 RCPUAVJOTNOALS-NSHDSACASA-N 249.745 3.516 30 20 BHED CC(C)(C)[C@@H]1CCC[C@@H](NCCCC#N)CC1 344332726 ZHZWWBXQCOBHNS-ZIAGYGMSSA-N 236.403 3.875 30 20 BHED C[C@@H]1CCCC[C@H]1CCNc1ncccc1C#N 358223651 OJJPRZFTCLXUIN-OLZOCXBDSA-N 243.354 3.582 30 20 BHED C=CCCCCCCNc1cnccc1C#N 379884551 CPLWVMMJAFRHRD-UHFFFAOYSA-N 229.327 3.502 30 20 BHED C=C(Cl)CN[C@H](C)[C@@H]1CC2CCC1CC2 382118787 LLIDKNMMHAUBFW-XVSSEFHLSA-N 227.779 3.543 30 20 BHED CC(C)c1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 442891332 RAIUTCSYLOJTLT-WFASDCNBSA-N 228.339 3.914 30 20 BHED C=CCCC[C@H](C)NCc1ccc(C#N)c(C)c1 443993584 LWJKEKFFNNIWQA-AWEZNQCLSA-N 242.366 3.701 30 20 BHED C=CCCCC[C@H](C)NC[C@@](C)(OC)C1CC1 449336043 LQONIMPHBRDIIE-DZGCQCFKSA-N 239.403 3.526 30 20 BHED N#CCc1cccc(N[C@H]2CCC[C@H]2C2CC2)c1 449697264 LHUCGKKJDGVRBW-HOTGVXAUSA-N 240.350 3.743 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@]1(C)CC=CCC1 450652627 UVOYBUFJDMDZRH-ZFWWWQNUSA-N 235.371 3.594 30 20 BHED C=CCC[C@@H](C)NCCc1ccc(C=C)cc1 462806118 VDXGLXRUGDVWOV-CQSZACIVSA-N 229.367 3.816 30 20 BHED CC#CCN1CCCC[C@H]1c1ccc(F)cc1F 480896276 JLMBDLFADUXNSA-HNNXBMFYSA-N 249.304 3.515 30 20 BHED CC[C@@H](CN(CCC#N)C(C)C)c1ccccc1 535077191 FJSQLOSHAQVTCY-HNNXBMFYSA-N 244.382 3.804 30 20 BHED C=CCCCc1nc([C@H]2CCC[C@H](C)C2)no1 545641350 XDURTDRUUSDLBG-RYUDHWBXSA-N 234.343 3.872 30 20 BHED C[C@@H]1CCN(CCCC(C)(C)C#N)CC1(C)C 546831559 PYVRNQIDPDHMFV-CYBMUJFWSA-N 236.403 3.684 30 20 BHED C=CCC(C)(C)c1noc([C@H](C)C(C)(F)F)n1 551141361 YEEAYKWZNCMQLY-QMMMGPOBSA-N 244.285 3.682 30 20 BHED C=CCCNc1ccc(C#N)cc1C(F)(F)F 596412050 HHZQVLDZYFUWDI-UHFFFAOYSA-N 240.228 3.565 30 20 BHED C=C(C)CN(CC)C(=O)C[C@H](C)CC(C)(C)C 620445520 VDYNEDJTHZNGLC-ZDUSSCGKSA-N 239.403 3.873 30 20 BHED C=CCCN[C@@H]1CC2(CCC2)Oc2ccccc21 658116671 NCUSKOLJAKXJQP-CQSZACIVSA-N 243.350 3.599 30 20 BHED CCC(C)(C)CCN(CCC#N)CC(C)C 711257277 URVFMQBGMFVULB-UHFFFAOYSA-N 224.392 3.684 30 20 BHED C=CC[C@@H](C)C(C)=NNc1nc2ccccc2[nH]1 727777352 QDMIXNKFPXFDEZ-SNVBAGLBSA-N 242.326 3.563 30 20 BHED C=CCN(CC1CCCCC1)C(=O)/C(C)=C/CC 732644364 RJCBJJSUCJUDOY-NTEUORMPSA-N 249.398 3.938 30 20 BHED C=C(Cl)CN1CCCCC[C@@H]1c1ccco1 736945561 GORAFQJUBNIQSN-GFCCVEGCSA-N 239.746 3.949 30 20 BHED CC1(C)CCC/C(=C/c2cccc(F)c2)C1=O 757535873 XCRMWXSOHSNURE-XFXZXTDPSA-N 232.298 3.988 30 20 BHED CC[C@H]1CCCC1=NNc1cccc(C#N)c1 758373571 GKRDIBVEEFMHTP-LBPRGKRZSA-N 227.311 3.536 30 20 BHED CC1(C=NOc2ccccc2C(F)(F)F)CC1 782253998 LDLZVTDSBLUZPB-UHFFFAOYSA-N 243.228 3.870 30 20 BHED C#CCC1(C(=O)N[C@H](C)[C@@H](C)CC)CCCCC1 788436811 OHIUWSWFCQXZEX-UONOGXRCSA-N 249.398 3.511 30 20 BHED C#CCCCOc1cnc2ccc(Cl)cc2c1 789657745 BITMRUCHQCAEGD-UHFFFAOYSA-N 245.709 3.680 30 20 BHED C[C@H]1C[C@H](C)CCC1=NN[C@@H](C)C(C)(C)C 793117625 XQDMPBCRLDOUFE-WOPDTQHZSA-N 224.392 3.823 30 20 BHED CC[C@@H]1CCCCC1=NNc1ncccc1F 794982753 ACUNMRDFFGJCEQ-SNVBAGLBSA-N 235.306 3.589 30 20 BHED C#CCC(C)(C)c1nc(C2CCC(C)CC2)no1 809343152 BKANTOIXJZGHQS-UHFFFAOYSA-N 246.354 3.664 30 20 BHED CSc1ccc(C=NOC/C=C/Cl)cc1 811671511 GUZCODXGGJGOJG-NFZWCGNOSA-N 241.743 3.512 30 20 BHED Cc1cnc(/C=C2/CCCC(C)(C)C2=O)s1 834429991 CBESKRYNVKSEAG-YFHOEESVSA-N 235.352 3.614 30 20 BHED CC(C)(C=NOC1CCCC1)Oc1ccccc1 834967990 CAOLBKHWQLUMAU-UHFFFAOYSA-N 247.338 3.789 30 20 BHED C/C(=C\Cl)CSCC1(CC#N)CC1 849895458 KIDKLJAVJDHAIG-RMKNXTFCSA-N 215.749 3.556 30 20 BHED C=CCCN[C@H](CC)c1cccc(Cl)c1O 850502669 UHWUELZMPHUXSM-GFCCVEGCSA-N 239.746 3.662 30 20 BHED c1ccc(C2CC(=NOCC3CCC3)C2)cc1 853441101 OLDIANXXWDULFC-UHFFFAOYSA-N 229.323 3.737 30 20 BHED C=CC(C)(C)CC(=O)Nc1cc(C)ccc1C 887576338 IGCJKVXSQWHLBB-UHFFFAOYSA-N 231.339 3.844 30 20 BHED C=C1CCC(C(=O)N2CCC[C@@H]3CCC[C@@H]32)CC1 889233102 QLXYWCIJEIZGAU-ZFWWWQNUSA-N 247.382 3.524 30 20 BHED C[C@@H](C=NNc1ccc(C#N)cc1)c1ccccc1 915963002 RTXCUOFYAVAESC-ZDUSSCGKSA-N 249.317 3.760 30 20 BHED CC(C)C[C@H](C)CSc1cccnc1C#N 1189337730 JCFREJDPGVFPBF-NSHDSACASA-N 234.368 3.728 30 20 BHED C=C[C@@H](CC)CC(=O)N1CC[C@@H]1c1ccccc1 1332733949 FHVUCEWNOOVPTJ-DZGCQCFKSA-N 243.350 3.562 30 20 BHED C[C@H]1CCCC[C@H]1CSc1cc(C#N)ccn1 1458913366 NRARURCMSNSMQK-AAEUAGOBSA-N 246.379 3.872 30 20 BHED C=C(Cl)CN(CC)c1ccccc1Cl 1653414729 WTMWHZJYTOCANE-UHFFFAOYSA-N 230.138 3.919 30 20 BHED CCCC[C@@H](CCC)CNc1ncccc1C#N 1655250778 VQHNCRJYTKDOOR-CYBMUJFWSA-N 245.370 3.972 30 20 BHED CCc1ccc(NCc2ccccc2C#N)cc1 20053714 RWBTXXSMVGNPHS-UHFFFAOYSA-N 236.318 3.733 30 20 BHED CN(c1cccc(F)c1C#N)C1CCCCCC1 78597892 ZAFCCGGNAKIINF-UHFFFAOYSA-N 246.329 3.856 30 20 BHED C#CCCSCc1cc(C)cc(C)c1 87196980 XFLVCHMTXOJSNN-UHFFFAOYSA-N 204.338 3.560 30 20 BHED CCCCCCCC(=O)N(CC(C)C)C1CC1 105051312 WDXDVJUZSFDXEI-UHFFFAOYSA-N 239.403 3.994 30 20 BHED C=C(CNCc1cccs1)c1ccccc1 110057596 OIBXOCUAWSCGSC-UHFFFAOYSA-N 229.348 3.551 30 20 BHED C=CCC[C@@H](NC(C)C)c1ccccc1 125045840 YSUACTUVXCRBAR-CQSZACIVSA-N 203.329 3.692 30 20 BHED N#CCCCCSCCc1cccs1 187562601 VMHNQAZIXBKRSC-UHFFFAOYSA-N 225.382 3.718 30 20 BHED CC(C)(C#N)CCOc1cnc2ccccc2c1 230222861 AQVVKTCXEZQMKW-UHFFFAOYSA-N 240.306 3.553 30 20 BHED CCCCCCCCS[C@@H](C)[C@@H](C)O 231174350 TUKKHKNLTMURAF-NEPJUHHUSA-N 218.406 3.849 30 20 BHED C(=NNc1nc2ccccc2[nH]1)C1CCCCC1 254451559 SMWMWPMXBMSTCX-UHFFFAOYSA-N 242.326 3.541 30 20 BHED CC[C@@H](C#N)Sc1ccc2c(c1)CCCC2 259339280 XQDAJNXFXJMZIV-ZDUSSCGKSA-N 231.364 3.960 30 20 BHED C=CCC[C@H](CC)N[C@H]1CCC(F)(F)C1 309195435 QLDNTRXQYPTRME-QWRGUYRKSA-N 217.303 3.509 30 20 BHED CC[C@H]1C[C@@H](C)CN1CCCCC(C)(C)C#N 310044592 DAFAFSNIKJJRND-KGLIPLIRSA-N 236.403 3.827 30 20 BHED C=CCCN(C1CCC(C)CC1)C1CC1 338543579 ABBBKOWMDHFUMW-UHFFFAOYSA-N 207.361 3.606 30 20 BHED C=CCCC1(C(=O)N[C@H](CC)C2CCCC2)CC1 411074982 WYASVTFBAOALQS-CQSZACIVSA-N 249.398 3.818 30 20 BHED CCC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424325957 LKDSQNQXFZVZEC-NUEKZKHPSA-N 242.366 3.810 30 20 BHED C=C(C)CNC(=O)[C@@H](CCC)CC1CCCC1 427953897 GEVOLINIORWGIM-AWEZNQCLSA-N 237.387 3.675 30 20 BHED CC[C@@H](F)CSCc1ccc(F)cc1C#N 442546505 SKXQYDVQSOHREI-LLVKDONJSA-N 241.306 3.679 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C(C)C)C(C)(C)O 449278548 KHYBMMGGXITECG-KGLIPLIRSA-N 241.419 3.506 30 20 BHED CC#CCCCC(=O)NCC[C@@H]1CCCC[C@@H]1C 466443089 AYLQAGQTFIDPQM-GJZGRUSLSA-N 249.398 3.513 30 20 BHED C=CCC(CC=C)C(=O)N(C1CC1)[C@@H](C)C(C)C 467814660 YZKRKXQYABZAPP-ZDUSSCGKSA-N 249.398 3.790 30 20 BHED C=CCC[C@@H](CC)N[C@H]1COc2ccc(F)cc21 468048199 FQRRGQDFBPIXBX-OCCSQVGLSA-N 249.329 3.594 30 20 BHED C=CCCCOc1ccc2[nH]c(C)cc2c1F 471883826 KWDPCTFYBBSFGD-UHFFFAOYSA-N 233.286 3.960 30 20 BHED C=CCCC1(C(=O)N2C[C@@H](C)CCC[C@H]2C)CC1 483657514 SBPOKUZHDBQVHE-UONOGXRCSA-N 249.398 3.770 30 20 BHED C=C(C)CCN(C)[C@H](C)c1ccc(F)cc1 509797360 CCOGOVATPOZYAM-GFCCVEGCSA-N 221.319 3.785 30 20 BHED C=CCCCN(C)Cc1ccccc1Cl 605149630 HCIBSMBHCSZDCW-UHFFFAOYSA-N 223.747 3.738 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cscc1Cl 636437808 DAWNPPSJSIGESD-NSHDSACASA-N 243.759 3.942 30 20 BHED CCCCCCCCN1CCC(O)(CC)CC1 707490431 ZALMLEVGDDQCCK-UHFFFAOYSA-N 241.419 3.584 30 20 BHED C=C(C)COC(=O)C[C@@H](CC)c1ccccc1 729017651 QBEQOKYAHIAPFL-CYBMUJFWSA-N 232.323 3.690 30 20 BHED CC(=NO[C@@H]1CCCCO1)[C@@H](C)c1ccccc1 755820955 HBKMMGSPRQKJQL-IUODEOHRSA-N 247.338 3.709 30 20 BHED CC[C@@H]1C[C@H](C)CCC1=NOCc1cccnc1 769583099 CCPVVELENMWCBX-TZMCWYRMSA-N 246.354 3.800 30 20 BHED N#CCCCCSCc1ccc2c(c1)COC2 778055024 NZDIDHCUXPLCJP-UHFFFAOYSA-N 247.363 3.644 30 20 BHED Cc1ccc(NN=Cc2cc3ccccc3[nH]2)cc1 788409211 QISVUVCZGQBKBM-UHFFFAOYSA-N 249.317 3.922 30 20 BHED CC[C@H](C)NN=C(C)C1CCC(F)(F)CC1 790189475 NWJGACQNXAMLOH-VIFPVBQESA-N 232.318 3.576 30 20 BHED CC[C@H](C)CON=C1CCCNc2ccccc21 793159297 MPHQBLXHSJAXGI-LBPRGKRZSA-N 246.354 3.659 30 20 BHED C=CCC(F)(F)C(=O)N[C@H](C)CCCC(C)C 814892486 VDMMWRHVYGQAKO-LLVKDONJSA-N 247.329 3.529 30 20 BHED CC(=NOCC(F)F)c1cccc(C2CC2)c1 814904126 STVLSGOGJUAMPM-UHFFFAOYSA-N 239.265 3.570 30 20 BHED CCC(=NNc1cccc([N+](=O)[O-])c1)C1CCC1 834917685 LTCMZXXSSRPPQX-UHFFFAOYSA-N 247.298 3.573 30 20 BHED CC1(C#N)CCC(=NN[C@H]2CCCC2(C)C)CC1 834978420 SYBLEHBMACCSGR-CFMCSPIPSA-N 247.386 3.615 30 20 BHED C#CCC[C@H](C)OC(=O)C[C@H](C)c1ccccc1 839032635 RSLPGDHNJKNURS-KBPBESRZSA-N 244.334 3.525 30 20 BHED C=CCCCC(=O)O[C@H](C)Cc1ccsc1 851146297 TUOJVTRQCHCMDK-LLVKDONJSA-N 238.352 3.579 30 20 BHED C=CC(C)(C)CNCc1cccc2ncccc12 873131579 PNQPOZBRSFEYHX-UHFFFAOYSA-N 240.350 3.537 30 20 BHED Fc1cc(F)cc(NN=C/C=C/c2ccco2)c1 920374957 NVPYKBTXLHJFTP-IXCFUPSMSA-N 248.232 3.669 30 20 BHED CC[C@H]1CCCN1CCCCC1(C#N)CCC1 929491484 GQAPLQRADURYGW-AWEZNQCLSA-N 234.387 3.725 30 20 BHED CC(C)(C)[C@@H]1CCC[C@@H]1Nc1ccc(C#N)cn1 1458425455 DMOUYQKLMIIVGG-OLZOCXBDSA-N 243.354 3.580 30 20 BHED CCOc1ccc(/C=C\C(=O)c2ccco2)cc1 33462347 IWQLZGSBLRKLIV-YFHOEESVSA-N 242.274 3.574 30 20 BHED CC[C@@H](C#N)Sc1cc(C)ccc1C 43557582 POWWWHMWIGLVJS-NSHDSACASA-N 205.326 3.698 30 20 BHED CCC1(C)CCN(c2ccc(C#N)cc2F)CC1 60941560 BSCFSTFZPQPKAA-UHFFFAOYSA-N 246.329 3.714 30 20 BHED Cc1nsc(NC2C[C@@H](C)C[C@H](C)C2)c1C#N 92912599 BIFRMSFFQIGONI-IUCAKERBSA-N 249.383 3.560 30 20 BHED C=CCCCC(=O)N1C[C@H](C)[C@H]1c1ccccc1 176075529 SPVFUZQHGFDZSS-BBRMVZONSA-N 243.350 3.562 30 20 BHED N#CCCCCN[C@H]1CCCCc2ccccc21 177446237 ZBWMCBOCNFRQEG-INIZCTEOSA-N 242.366 3.738 30 20 BHED C=C(C)CN(C)C(=O)c1csc2ccccc12 180455873 FMMXZKDAQGKPQX-UHFFFAOYSA-N 245.347 3.549 30 20 BHED CC(C)CC1(CN[C@H]2CCC[C@H](C#N)C2)CCC1 185857473 WRBUFSPNYJULJE-GJZGRUSLSA-N 248.414 3.875 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1cc(C)oc1C 191132622 LSVRUNZCSIDYTJ-ABAIWWIYSA-N 249.354 3.676 30 20 BHED C=CC[C@@H](C)[C@H](C)Nc1ccc(COC)cc1 193420357 RNXYZECQRMEPSO-OLZOCXBDSA-N 233.355 3.846 30 20 BHED Cc1cc(C)c(C#N)c(S[C@@H](C)C(C)C)n1 221851313 DHTNJJPFSAEWKA-NSHDSACASA-N 234.368 3.707 30 20 BHED N#C[C@@H]1CC[C@@H](SCc2ccccc2)C1 278495866 BWTYCFLADOSYSX-CHWSQXEVSA-N 217.337 3.612 30 20 BHED C=C(C)CCNc1cccc(NC(=O)C(C)C)c1 288728515 NDODMWWXDMZZNK-UHFFFAOYSA-N 246.354 3.659 30 20 BHED CCCCCC/N=C(/N)Nc1ccc(C)c(C)c1 303721123 XDGLWLGHBGSYLJ-UHFFFAOYSA-N 247.386 3.610 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(CC)o1 310005524 GNUVEMZMJVCRDG-NWDGAFQWSA-N 221.344 3.847 30 20 BHED C=C(CC)CN[C@@H](C)c1ccc(OCC)cc1 313529313 CABLBMIBQQAJQW-ZDUSSCGKSA-N 233.355 3.702 30 20 BHED CC[C@@H](N[C@H]1CCC1(C)C)c1ccc(C#N)cc1 348270680 GXPLQOGNSUIBAA-CABCVRRESA-N 242.366 3.788 30 20 BHED CCC(CC)(CC)CNc1cnccc1C#N 354881310 GABIAGLETIDRTB-UHFFFAOYSA-N 231.343 3.582 30 20 BHED C=C(Br)CSCc1ccccc1 379324124 WGFXZQAGNSFBGI-UHFFFAOYSA-N 243.169 3.828 30 20 BHED N#CC[C@H]1CCCN([C@H]2C=CCCCCC2)C1 397810226 ODLXVESYBHAXGP-CABCVRRESA-N 232.371 3.501 30 20 BHED N#Cc1ccc(F)c(CSCC2CCC2)c1 437423833 BPMCDTNZROVSIP-UHFFFAOYSA-N 235.327 3.731 30 20 BHED C=C(C)CN(C)CC(C)(C)c1ccc(C)cc1 441370566 QVBIIOMIAUQQRN-UHFFFAOYSA-N 231.383 3.781 30 20 BHED C=CC(C)(C)C(=O)N1CCC2(CCCCC2)CC1 448868608 KXTXOMPORZWESV-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CCC1(C(=O)N(CC)CCC2CC2)CCCC1 450611846 JQMDRGXVOWXQRP-UHFFFAOYSA-N 249.398 3.772 30 20 BHED CC(F)(F)CCOc1cc(Cl)ccc1C#N 450871421 NKJMSXSBDAKNBA-UHFFFAOYSA-N 245.656 3.636 30 20 BHED CC(C)c1ccc(CNCC(C)(C)CC#N)cc1 459700640 SNMFSNORVVUAKZ-UHFFFAOYSA-N 244.382 3.839 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 467855082 MJPURLJRZPOESK-GRYWWWGRSA-N 249.398 3.530 30 20 BHED CC(C)CC(CC(C)C)N[C@H]1CC[C@@H](C#N)C1 471581890 RMIHXNCARNNWQZ-KGLIPLIRSA-N 236.403 3.729 30 20 BHED CCCCSCc1ccc(F)cc1C#N 488542240 VXICWONIADUHLC-UHFFFAOYSA-N 223.316 3.731 30 20 BHED Cc1cc(OCC[C@H](C)F)c(C)c(C)c1C#N 506382116 PTKLMHKMUAIHLO-JTQLQIEISA-N 235.302 3.610 30 20 BHED C=CCCN1C[C@@H](C)C[C@H]1c1cccc(OC)c1 541319998 SKNJBPUKYILKRJ-BBRMVZONSA-N 245.366 3.654 30 20 BHED CC(C)=CCC[C@@H](C)NCc1ccc(C#N)cc1 582807440 FCGXJYQFBQIIIY-CQSZACIVSA-N 242.366 3.783 30 20 BHED CCCC(C)(C)C(=O)Nc1cc(C)cc(C#N)c1 593170682 ZNGSIDROKSSHPR-UHFFFAOYSA-N 244.338 3.632 30 20 BHED C=CCc1ccccc1OCc1ccccc1C#N 597201071 KZSTZHYIDOXNMU-UHFFFAOYSA-N 249.313 3.866 30 20 BHED CC(C)CC1(CNC[C@@H](C)CCC#N)CCC1 602570104 UCAGBWYSEVXDEC-AWEZNQCLSA-N 236.403 3.732 30 20 BHED C#CCCCCC(=O)Nc1ccc(F)c(CC)c1 692899805 KMQMMIMQMIPERB-UHFFFAOYSA-N 247.313 3.520 30 20 BHED CCCCCCCNc1nccnc1C(F)F 703778918 UZWRNUNECVFSHU-UHFFFAOYSA-N 243.301 3.797 30 20 BHED CC(C)CC=NNc1ccc(OC(F)F)cc1 726427470 YVKYCHJWABNZAL-UHFFFAOYSA-N 242.269 3.732 30 20 BHED C=CCOc1ccc(OC(=O)CCC(C)C)cc1 742861836 HQMPUKLTPPTPFC-UHFFFAOYSA-N 248.322 3.593 30 20 BHED CCCCCC[C@H](C)NN=C(C)c1ccc[nH]1 743450822 RAJNYZZFHSWFKZ-LBPRGKRZSA-N 235.375 3.687 30 20 BHED COc1ccc(NN=Cc2ccc(C)s2)cc1 750946038 MXPFYVRHEPABCA-UHFFFAOYSA-N 246.335 3.511 30 20 BHED COc1cccc(NN=C[C@H]2CCC[C@@H](C)C2)c1 768355711 POQLAQMCFUHYDH-OLZOCXBDSA-N 246.354 3.919 30 20 BHED C[C@@H]1CCC[C@@H](C=NNc2ccc(C#N)cc2)C1 768359461 DYBMFVPIERGBHM-TZMCWYRMSA-N 241.338 3.782 30 20 BHED C#CC[C@H](N[C@H]1CCCC[C@H]1C)c1ccccc1 773113183 CDTUGGVXZSJJRG-PVAVHDDUSA-N 241.378 3.919 30 20 BHED CC(C)C(=NN[C@H]1CCCCC1(C)C)C1CC1 773122666 CIXBDARBTAVKCG-ZDUSSCGKSA-N 236.403 3.967 30 20 BHED CCCCCCCCC(=O)N1CC[C@H]1C(C)C 775899557 OUPUNQBFPRMOME-AWEZNQCLSA-N 239.403 3.994 30 20 BHED Cc1[nH]c2ccc(F)cc2c1C=NOC1CCC1 812235578 YCLCNZQQCDRZAP-UHFFFAOYSA-N 246.285 3.518 30 20 BHED C=C[C@@H](CC)Cc1nc([C@@H](C)c2ccco2)no1 904111325 SWNZIASIKITQEB-QWRGUYRKSA-N 246.310 3.569 30 20 BHED C[C@H](Cc1ccsc1)/N=C/c1ccccc1O 918712020 FDXKUUXLCOQVAS-BTAWCLGRSA-N 245.347 3.504 30 20 BHED CN(CCCCC1(C#N)CCC1)CCC1CC1 930062320 YCLIYJAJNRGDQP-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=C(Cl)CN1CCc2ccc(C(C)C)cc2C1 1171821148 WUCCJEMFNREUQD-UHFFFAOYSA-N 249.785 3.921 30 20 BHED C=C(C)C(C)(C)c1nnc(-c2cc(C)cs2)o1 1261844128 CIWGTTQZJDKIGJ-UHFFFAOYSA-N 248.351 3.960 30 20 BHED CC(C)(C)ON=CC(C)(C)Oc1ccccc1 1326636359 HKILVWXBZDKVPI-UHFFFAOYSA-N 235.327 3.645 30 20 BHED C=C(C)CCC(=O)Nc1ccc(C(=O)CC)cc1 1336568901 HLCVECWYJNCTOH-UHFFFAOYSA-N 245.322 3.574 30 20 BHED CCCCCCNc1cccc(F)c1C#N 35134931 SDXMGDUFVDJVJL-UHFFFAOYSA-N 220.291 3.690 30 20 BHED C=CCCN[C@H](C)c1ccc(Cl)cc1 70591996 SLQIEWDVULNSSW-SNVBAGLBSA-N 209.720 3.567 30 20 BHED Cc1cccc(C)c1COc1ccccc1C#N 96810245 QBDGELDLZYBTHJ-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C=C(C)CN(C)[C@@H](C)c1sc(CC)nc1C 122038713 KUFPODMXBZXUPY-NSHDSACASA-N 238.400 3.583 30 20 BHED C=C(C)CN[C@@H](C)c1ccccc1OC(F)F 161574753 FGAOMYIMWYUEQP-JTQLQIEISA-N 241.281 3.515 30 20 BHED C=CCCC(=O)N1CCC(CCC(C)C)CC1 162464938 QTZKQBBGFIWTDC-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CCCC[C@H](C)NC(=O)c1cscc1C 182650936 CUBFNDAUKSZUTH-NSHDSACASA-N 237.368 3.531 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc(OC)cc1C 188036212 IYBLAINDBHVCSX-HNNXBMFYSA-N 247.338 3.544 30 20 BHED C=CCC[C@@H](C)NC[C@H](SC)C(C)(C)C 309081246 PXOQWMSLJNHTKO-NEPJUHHUSA-N 229.433 3.708 30 20 BHED N#Cc1cccc(Cl)c1N[C@H]1CC[C@H](F)C1 309579115 PTQLKIYKLONATO-UWVGGRQHSA-N 238.693 3.514 30 20 BHED CC[C@@H]1CCC[C@@H]1NC1CCC(C)(C#N)CC1 336214447 SPVKYOMLOWPGLU-JLVJUDLZSA-N 234.387 3.627 30 20 BHED CCc1cccc(C)c1NCCC(C)(C)C#N 345418817 VVDSIFFQIQBBLL-UHFFFAOYSA-N 230.355 3.909 30 20 BHED Cc1cc(CN(C)CCC(C)(C)C#N)ccc1F 347128167 WLIHOCIKRNKJHC-UHFFFAOYSA-N 248.345 3.506 30 20 BHED N#Cc1ccncc1NCCC1=CCCCCC1 361744843 ODFUKOKOPUXVLE-UHFFFAOYSA-N 241.338 3.646 30 20 BHED CC[C@H](Nc1ccc(C#N)cc1)C(C)(C)C 390583097 XKKGCWDHRSBLFM-ZDUSSCGKSA-N 216.328 3.795 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@H](CC)CC(C)C 410772901 ARSWKZCLWILQQJ-KGLIPLIRSA-N 237.387 3.626 30 20 BHED CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(C)c1 424333442 UGQFZTUSUOIHQE-NUEKZKHPSA-N 242.366 3.728 30 20 BHED CC#CCSC[C@H](OC(C)C)c1ccccc1 427686149 PSZVYNYPRLWIST-HNNXBMFYSA-N 248.391 3.909 30 20 BHED C=C[C@H](C)NCc1cccc2c(OC)cccc12 449190187 NKXXQKVQVAXMSG-LBPRGKRZSA-N 241.334 3.513 30 20 BHED C=CCC[C@@H](CCC)NCc1cnccc1C 449525235 QWLSZTOBYDZPFQ-OAHLLOKOSA-N 232.371 3.615 30 20 BHED C=CCCCCNC(=O)N(C)[C@@H](C)CCCC 460889031 IBAQNHHZHTWRRD-ZDUSSCGKSA-N 240.391 3.563 30 20 BHED C=CCN(C(=O)C1(CC)CCCCC1)C1CC1 461079806 GTCFSUXHDOKFTA-UHFFFAOYSA-N 235.371 3.524 30 20 BHED C=CC[C@H](CC)NCc1cc2c(F)cccc2[nH]1 466401752 MQWXGDYPNIFYKZ-NSHDSACASA-N 246.329 3.751 30 20 BHED C=C(C)COc1cc(C)cc2ccc(C)nc12 479432960 WFUWFWQMESEGFG-UHFFFAOYSA-N 227.307 3.807 30 20 BHED C=C[C@@H](C)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 498766960 LGNFEFMNGACEMX-MLGOLLRUSA-N 245.341 3.926 30 20 BHED C=CCCC[C@H](C)NC(=O)N(C)[C@@H](C)CCC 537263196 FFIXNKPVCYBVQD-STQMWFEESA-N 240.391 3.561 30 20 BHED CCC[C@@H](NCC1(C#N)CC1)C1CCCCC1 539491935 XAQIMZUPMRDBLE-CQSZACIVSA-N 234.387 3.629 30 20 BHED C=CCc1ccc(OC2CCCC2)c(OC)c1 546752327 QKJNOLDGZBVBNH-UHFFFAOYSA-N 232.323 3.745 30 20 BHED CCC(CC)CNC1(c2cccc(C#N)c2)CC1 556628924 KJIASMOIGREHTR-UHFFFAOYSA-N 242.366 3.573 30 20 BHED C=C(C)COc1ccc2cc(C(C)=O)ccc2c1 557193490 LQOKGSXHMDFSQU-UHFFFAOYSA-N 240.302 3.997 30 20 BHED C=CCCN1CCC[C@H]1Cc1ccc(C)cc1 606898144 QWRSORFPJHTKEW-INIZCTEOSA-N 229.367 3.578 30 20 BHED CCCC[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 618804695 LQPXMNULYPZNBV-LRDDRELGSA-N 242.366 3.714 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1NCCCCCOC 657860156 CFHLBSGQUULVCP-CABCVRRESA-N 239.403 3.528 30 20 BHED C=C(C)CNc1ccc(-n2cccn2)c(Cl)c1 727435845 XEXLWEFVDJYTQD-UHFFFAOYSA-N 247.729 3.514 30 20 BHED FC(F)(F)CON=C1CC[C@H]2CCCC[C@H]2C1 764835666 NECYOLFCWZLXDX-ZJUUUORDSA-N 249.276 3.912 30 20 BHED CCC(CC)NN=C1CCCC(C)(C)C1 767783101 UAEPJIMMVVIFAT-UHFFFAOYSA-N 210.365 3.721 30 20 BHED Cc1ccnc(NN=C[C@H]2CCCC[C@H]2C)c1 783856072 WNUXFRCNRZHTGZ-CHWSQXEVSA-N 231.343 3.614 30 20 BHED CC(C)C(C=NOCCC(F)(F)F)C(C)C 789050716 JVSYXBCRPJATMS-UHFFFAOYSA-N 239.281 3.869 30 20 BHED Cc1cccnc1NN=CC1CCCCCC1 790190669 KMTBLTNXXQRDEF-UHFFFAOYSA-N 231.343 3.758 30 20 BHED C=CCCCCC[C@H](C)NCCc1ccccn1 793521200 VWDXYNJSDBDAPT-HNNXBMFYSA-N 246.398 3.739 30 20 BHED C=C(C)CN(CC)C(=O)/C=C(\C)c1cccs1 856765340 YEKSCJGXSRFVKM-FMIVXFBMSA-N 249.379 3.576 30 20 BHED C=CCCN[C@@H](CCC)c1ncccc1Cl 926682329 BDCUPZUKPLJOND-LBPRGKRZSA-N 238.762 3.742 30 20 BHED CC[C@H](C)CN(C)CCC1(C#N)CCCCC1 1473167486 JQRHWEONMQZPSO-AWEZNQCLSA-N 236.403 3.828 30 20 BHED CCN(CCC#N)C[C@@H](C)CC1CCCCC1 1652100693 OVDBIELYPZDHMW-AWEZNQCLSA-N 236.403 3.828 30 20 BHED CC(C)C[C@@H]1CCC[C@H](NCC2(C#N)CCC2)C1 1658744819 NRGDYXMDECUBLB-GJZGRUSLSA-N 248.414 3.875 30 20 BHED C[C@H](Nc1ccccc1F)c1cccc(C#N)c1 37211331 UDNAWSRBZYRKSO-NSHDSACASA-N 240.281 3.870 30 20 BHED CC(C)(C)C[C@H](NCCC#N)c1ccccc1 37240394 IAGAXWIKUHEWTL-AWEZNQCLSA-N 230.355 3.667 30 20 BHED CC[C@H](C)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 42554201 ONNGVTUEAINFHU-AVGNSLFASA-N 230.355 3.643 30 20 BHED CCCCN(CC)[C@H](C)c1ccc(C#N)cc1 65432869 DBPWNFQZEPDAHM-CYBMUJFWSA-N 230.355 3.741 30 20 BHED C[C@@H](NCCCC(C)(C)C#N)C1CCCCC1 87598117 UQJLPPVVHZBBHD-CYBMUJFWSA-N 236.403 3.875 30 20 BHED N#CCC1(CSc2ncccc2Cl)CC1 88259771 IMYGMAKWOUFUAM-UHFFFAOYSA-N 238.743 3.521 30 20 BHED C=C(C)CNCc1ccc(F)cc1C(F)(F)F 122579220 JURVROSYUVOIGF-UHFFFAOYSA-N 247.235 3.510 30 20 BHED C=CCCCN1CCC[C@@H]1c1ccc(COC)o1 131106846 XVJJBKHVRKSEBN-CQSZACIVSA-N 249.354 3.529 30 20 BHED C#CCCCCN[C@@H](C)CCCCCC 222295068 BHWKFUNJQRFBNO-AWEZNQCLSA-N 209.377 3.738 30 20 BHED C#CCCCN[C@H]1CCCC[C@H]1c1ccccc1 224313196 WHHUXUUDPZUPMS-IRXDYDNUSA-N 241.378 3.716 30 20 BHED C=CCCCCCNc1cccc(C#N)c1 232583312 MLXHUFGUUOMYJR-UHFFFAOYSA-N 214.312 3.717 30 20 BHED C=CCCC(=O)N(C)[C@H](C)c1ccc(C)cc1C 263676881 NKLLQASFHCFFJC-CQSZACIVSA-N 245.366 3.789 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cscc1C 276012621 QMHWITMCTUMKTC-LBPRGKRZSA-N 223.341 3.597 30 20 BHED C=CCC(C)(C)C(=O)Nc1cccc(F)c1C 293228087 NOERIBDZPHZCHZ-UHFFFAOYSA-N 235.302 3.675 30 20 BHED C[C@@H]1CN(c2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12 302132651 CGQMMDZBXOPGBF-UHOFOFEASA-N 240.350 3.573 30 20 BHED C[C@H](CNc1cccc(OCC#N)c1)C(C)(C)C 302370898 CMMYFDDELDEJIP-GFCCVEGCSA-N 246.354 3.683 30 20 BHED CC(C)=CCCNc1c(F)cc(C#N)cc1F 302646349 ATURWZIZGCIALC-UHFFFAOYSA-N 236.265 3.605 30 20 BHED CC(C)=CCCNc1ccc(C#N)c(Cl)c1 302713724 LKRCPNNGUQKXQE-UHFFFAOYSA-N 234.730 3.980 30 20 BHED N#Cc1ccc(OCCC2CCCC2)cc1F 304128356 QANCSBCUPJQOHV-UHFFFAOYSA-N 233.286 3.656 30 20 BHED C=CCCCCCCN[C@@H]1CC[C@H]1C1CC1 309393866 UYBZYCSYCQTOND-LSDHHAIUSA-N 221.388 3.901 30 20 BHED C=CCCN[C@@H](CCCCOC)c1ccccc1 338544612 RGAUYMRBUYEDHN-INIZCTEOSA-N 247.382 3.710 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1cccc([N+](=O)[O-])c1 393782915 QYRVJYZLSYARPS-DGCLKSJQSA-N 248.326 3.600 30 20 BHED CC(C)[C@@H](NCC(C)(C)CC#N)c1ccccc1 414169412 RSXXBVSBFKWZIF-OAHLLOKOSA-N 244.382 3.913 30 20 BHED C=CCCCCCN(CC)CC(F)(F)F 487896287 KMDFVXXZCPTFTL-UHFFFAOYSA-N 223.282 3.617 30 20 BHED C=C(C)CCN1CC[C@H](Cc2ccc(F)cc2)C1 509669702 XVVIHVWCCWQCEH-OAHLLOKOSA-N 247.357 3.656 30 20 BHED C=C(C)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 511844831 NOCMKUHEPSHJPP-GVDBMIGSSA-N 241.378 3.831 30 20 BHED C=CCCC[C@@H](C)N(C)CCc1ccccc1O 541389138 NVIXAYWZIDSMQJ-CQSZACIVSA-N 247.382 3.611 30 20 BHED C=C(C)CN(CC)CCCc1ccsc1 542091482 FYVUQZNTCIZRNS-UHFFFAOYSA-N 223.385 3.579 30 20 BHED CCN(C[C@H](C)C#N)C[C@@H](C)c1ccc(C)cc1 600113883 YGEWFPYHDDUSCY-HUUCEWRRSA-N 244.382 3.580 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H]1CCC(C)=C(C)C1 620864934 URXAIQCJLJLKRM-AWEZNQCLSA-N 249.398 3.984 30 20 BHED CCCCCCCC(=O)N1CCC(C)(C)CC1 726956865 FWLVTSFSUGGESZ-UHFFFAOYSA-N 239.403 3.996 30 20 BHED CC(=NNc1ccc(F)cn1)C1CCCCC1 731320214 XDKRERZMWWPYKS-UHFFFAOYSA-N 235.306 3.589 30 20 BHED CCC[C@H](C)C(=O)O[C@H](C)c1cccc(C#N)c1 744099810 CCVUMYIHRPKUJJ-NWDGAFQWSA-N 245.322 3.599 30 20 BHED CC(C)CON=C[C@@H](C)CCc1ccccc1 749632426 XRFOHZCJAWCVHF-AWEZNQCLSA-N 233.355 3.914 30 20 BHED C=CCCC(CC)=NNc1ccccc1F 750932493 NSKJGNCZHPCTDD-UHFFFAOYSA-N 220.291 3.970 30 20 BHED CC(=NOCC(F)(F)F)c1cc(C)cc(C)c1 764846730 OMGHSSMLCLQQLJ-UHFFFAOYSA-N 245.244 3.606 30 20 BHED C#CCCCOc1ccccc1SCC 766752458 PHTUJCJVEJICHV-UHFFFAOYSA-N 220.337 3.591 30 20 BHED CCCCCC(=O)OCCCCC(C)(C)C#N 768375381 UWBDWVGNTGSHOY-UHFFFAOYSA-N 239.359 3.830 30 20 BHED Cc1cccc(F)c1NN=C[C@H]1CC=CCC1 769840026 GYYRARGKAYUGMP-LBPRGKRZSA-N 232.302 3.888 30 20 BHED C=CCCCCCOC(=O)[C@H]1CCCCS1 784657915 CEECMHGEMPJAFX-GFCCVEGCSA-N 242.384 3.562 30 20 BHED CC[C@H](C)CON=C(C)c1sccc1C 793144659 FGRGZAQEVPBEAJ-VIFPVBQESA-N 225.357 3.843 30 20 BHED CC[C@@H](C)CON=C(C)[C@H](OC)c1ccccc1 793160463 UVUAAMYLCRCGGR-DOMZBBRYSA-N 249.354 3.813 30 20 BHED C=CCCCCCCNC(=O)[C@@H]1CC12CCCC2 805220240 IYMPPFPWRHVQGZ-AWEZNQCLSA-N 249.398 3.819 30 20 BHED C[C@@H]1CC(=NNCC2CCCC2)C[C@@H](C)C1 808006339 UNAUKZKOPFBXLC-RYUDHWBXSA-N 222.376 3.578 30 20 BHED CC1(C)CCCC(=NOC/C=C\Cl)C1 811669358 ZIITYTCXRPMMPL-QFRRRRDSSA-N 215.724 3.712 30 20 BHED CC(=NOC1CCC1)c1ccc(C)c(C)c1 812236285 JFKGFWQMNJBGDG-UHFFFAOYSA-N 217.312 3.597 30 20 BHED CCC(=NOCC1CC1)c1ccc(C)cc1 814244392 QWSNDSIQCLZUBJ-UHFFFAOYSA-N 217.312 3.536 30 20 BHED C=CCCC(CCC)=NNc1cccc(OC)n1 814900381 QHVXEGGBRVMKIO-UHFFFAOYSA-N 247.342 3.624 30 20 BHED CCc1cccc(C)c1NN=C1CC(C)C1 814923060 JDPRTERWGRJGJD-UHFFFAOYSA-N 216.328 3.755 30 20 BHED C#CCCc1noc([C@@H](CC)CC2CCCC2)n1 842490914 CVXZDKLLCJGTME-ZDUSSCGKSA-N 246.354 3.709 30 20 BHED C=CCCCN[C@H](C)c1ccc2c(c1)CCCO2 850465766 IUZRTQHEJLOZPP-CYBMUJFWSA-N 245.366 3.628 30 20 BHED C[C@H]1CCCC(=NNc2ccc(Cl)cn2)C1 853438350 YDQYWBLVDHQCDX-VIFPVBQESA-N 237.734 3.713 30 20 BHED C=C1CC(c2noc([C@](C)(F)CCCC)n2)C1 896874904 WEBBCRQZUVYGEG-CYBMUJFWSA-N 238.306 3.878 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCCc2cccnc21 927059918 PKGSDBOIOMTVIN-GZBFAFLISA-N 244.382 3.649 30 20 BHED CC1(C)CCC[C@@H](CNc2ncccc2C#N)C1 1163512887 VPJAUPXZGGEOBJ-GFCCVEGCSA-N 243.354 3.582 30 20 BHED C#Cc1cccc(NCc2cccc(Cl)c2)c1 19876995 SJHXKFRTLKURHN-UHFFFAOYSA-N 241.721 3.933 30 20 BHED Cc1ccc(C(=O)/C=C\c2ccccc2)c(O)c1 33374156 MUGOFUACMPDNFK-NTMALXAHSA-N 238.286 3.597 30 20 BHED CCCCCCCCC(=O)N[C@@](C)(C#N)CC 111325376 YUYIDQVCLZGSPT-CQSZACIVSA-N 238.375 3.545 30 20 BHED C=C[C@@H](CC(=O)N(C)[C@@H](C)CC)c1ccccc1 123943041 HTMUYSHUWBQNEC-KBPBESRZSA-N 245.366 3.603 30 20 BHED C=CCC[C@@H](C)N[C@@H]1CCc2ccccc21 126738577 LYOICEJRGACJKY-IUODEOHRSA-N 215.340 3.618 30 20 BHED CCc1c[nH]c(S[C@H](C#N)C2CCCCC2)n1 129376199 ZIETZEBNEMPXLU-GFCCVEGCSA-N 249.383 3.537 30 20 BHED C=CCCN1C[C@@H](c2ccc(F)cc2)C[C@H]1C 133161749 SXPMJSZXMKOPFQ-OCCSQVGLSA-N 233.330 3.580 30 20 BHED Cc1cccc(NCc2cc(C#N)cs2)c1F 181128078 XEVBEHUBFMTZIQ-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C=CC[C@@H](C)[C@@H](C)N[C@H](C)c1cccc(O)c1 192035667 KMQBAUXWVTXJRR-JHJVBQTASA-N 233.355 3.644 30 20 BHED C=C(C)CN(CC)[C@@H](C)c1cc(F)ccc1F 195732927 JHRUOXMMDPLYOP-NSHDSACASA-N 239.309 3.924 30 20 BHED C=CCCCN1CCC(Cc2ccccc2)CC1 310966670 VAVMCRNXJPPUOD-UHFFFAOYSA-N 243.394 3.907 30 20 BHED N#CC1(CSC/C=C\c2ccccc2)CC1 344480022 QXSPGXOAAIJDTE-DAXSKMNVSA-N 229.348 3.737 30 20 BHED N#Cc1cccc(Cl)c1N[C@@H]1CCC[C@@H]1F 378728750 CHOWAJGSUBTWAP-WDEREUQCSA-N 238.693 3.514 30 20 BHED C=CCCC[C@H](C)Nc1ncc(Cl)s1 389264024 ISSYSDAWQZZWLQ-QMMMGPOBSA-N 230.764 3.953 30 20 BHED C=CCN(Cc1cccs1)Cc1ccoc1C 414375060 XOCKRGDIWKBRJK-UHFFFAOYSA-N 247.363 3.838 30 20 BHED C=CCCCN1CCC[C@@H](CC(F)(F)F)C1 420939773 CHTYISQAKCORLW-NSHDSACASA-N 235.293 3.617 30 20 BHED C=CCC[C@@H](NCCCc1ccccc1)C1CC1 439085410 NWVYRTSWYPRZRW-QGZVFWFLSA-N 243.394 3.954 30 20 BHED CC(C)[C@@H]1CCC[C@@H](NCC(C)(C)CC#N)C1 459738978 YOCSNXMQMLPONP-ZIAGYGMSSA-N 236.403 3.731 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@H]1CCCC(C)(C)C1 488817517 OQWNOXCKIOPTOQ-UONOGXRCSA-N 249.398 3.770 30 20 BHED C=CCC[C@H](CC)N[C@@H]1CCO[C@H](C(C)C)C1 536819625 FQDJDOIBJNCJGF-ZNMIVQPWSA-N 239.403 3.524 30 20 BHED C=C(CC)CNc1cc(OC)ccc1OC(C)C 536883319 WEGQYJGTEXODHD-UHFFFAOYSA-N 249.354 3.861 30 20 BHED C=CCCCc1nc([C@H](C)C(C)(C)C)no1 547133118 GPONBSQMPMZSAQ-JTQLQIEISA-N 222.332 3.728 30 20 BHED C=CCC(C)(C)c1noc(C2(CC)CCC2)n1 551139530 GRXIFLQDYAOXOI-UHFFFAOYSA-N 234.343 3.755 30 20 BHED N#Cc1c(F)cccc1SCCC1CC1 569826305 SDQWMOWTBGCEFZ-UHFFFAOYSA-N 221.300 3.590 30 20 BHED C=C(CC)CSCc1cc(C2CC2)no1 596350073 UUUDPOQJPNQZPU-UHFFFAOYSA-N 223.341 3.751 30 20 BHED CC(C)c1cccc([C@H](C)NCCCC#N)c1 599045908 UBBJOEGRZQZWSR-ZDUSSCGKSA-N 230.355 3.764 30 20 BHED C=CCCCSCc1ncccc1Cl 600621675 OUQHBJLKPVZEFC-UHFFFAOYSA-N 227.760 3.934 30 20 BHED C=CCCCN(C)CCOc1cc(C)cc(C)c1 605149610 CQDLUBDFKRYBRP-UHFFFAOYSA-N 247.382 3.580 30 20 BHED C=CCN1CCC[C@@H]1c1cccc(C)c1C 607735909 KIYNPRRTJWAPCE-OAHLLOKOSA-N 215.340 3.626 30 20 BHED Cc1cccc([C@H](C)N2CCC[C@@](C)(C#N)C2)c1 612161808 AJMSVJQFFJPYKA-HOCLYGCPSA-N 242.366 3.682 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H]1CCC[C@H](C)C1 620858353 DYLXBJKGCCUTTA-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=CCCCCN(C)Cc1ccsc1 649231564 AXODOYOECAUXRX-UHFFFAOYSA-N 209.358 3.536 30 20 BHED CCCCCCCCOC(=O)C1CC=CC1 741046101 OHDJMAAQAKURHZ-UHFFFAOYSA-N 224.344 3.856 30 20 BHED C=C(C)CN(C)C(=O)[C@H](CCCCC)C(C)C 778130635 SWIRZDWMWFJNNG-CQSZACIVSA-N 239.403 3.873 30 20 BHED C=CCCCCCOC(=O)C1(C#N)CCCCC1 783173525 BLACEVWVJHFBDL-UHFFFAOYSA-N 249.354 3.750 30 20 BHED C=C(CC)COC(=O)c1csc(Cl)c1 786347923 YYKNDIXUUKJGND-UHFFFAOYSA-N 230.716 3.525 30 20 BHED CCCCCC(C)=NN[C@H](C)C(C)(C)C 793114326 LDFOBFDRUDOUST-GFCCVEGCSA-N 212.381 3.967 30 20 BHED FC(F)(F)c1cscc1C=NOC1CCC1 812235001 GVEVBDYHNLAMNJ-UHFFFAOYSA-N 249.257 3.670 30 20 BHED CON=C1CCCC[C@@H]1C1=CCCCC1 814795699 IMONEWMOLUCUNI-GFCCVEGCSA-N 207.317 3.679 30 20 BHED Cc1cc(Cl)cc(C=NNC2CCCC2)c1 814832266 AWOUXZAPIINZGB-UHFFFAOYSA-N 236.746 3.515 30 20 BHED Fc1ccc(CON=C2CC[C@H]2C2CC2)cc1 814903666 UQXSTIPTBQRXAI-ZDUSSCGKSA-N 233.286 3.518 30 20 BHED CC(C)=C(C)C(=O)OCCC1(C#N)CCCCC1 840264937 PKGDHQJIJZSHLD-UHFFFAOYSA-N 249.354 3.750 30 20 BHED C[C@@H]1CCCCC1=NNc1ccnc(Cl)c1 853394114 HGVROFSJTMYQGB-SECBINFHSA-N 237.734 3.713 30 20 BHED C=CCCC(=NNc1ccnc(Cl)c1)C1CC1 853394961 FWEHLSULXCTAKR-UHFFFAOYSA-N 249.745 3.879 30 20 BHED C=CCCC(C)(C)NC(=O)/C=C1\CC[C@H](C)C1 856373887 CVQKKNBYTLAKPV-OWRWYXLESA-N 235.371 3.594 30 20 BHED C=CC[C@H](SC(CCC)CCC)C(=O)O 1602850273 UFEWINZNFXXTRJ-NSHDSACASA-N 230.373 3.718 30 20 BHED N#Cc1cccc(/C=C/C(=O)C2CCCCC2)c1 14179751 PEVPPSXIQYGWLO-MDZDMXLPSA-N 239.318 3.721 30 20 BHED C=C(C)CSc1nnc(-c2cccc(C)c2)o1 64981078 NDCYTYTUFXYOCR-UHFFFAOYSA-N 246.335 3.713 30 20 BHED C#CCCN(Cc1ccccc1)Cc1ccccc1 70160774 WRWACUYMPITBRB-UHFFFAOYSA-N 249.357 3.712 30 20 BHED CC(C)(C)[C@@H](NCCCC#N)c1ccccc1 77409819 CXORGMGZKXJUQJ-AWEZNQCLSA-N 230.355 3.667 30 20 BHED CN(CCCC(C)(C)C#N)c1ccccc1F 87608674 HWXACYMNCGXXGY-UHFFFAOYSA-N 234.318 3.592 30 20 BHED C=CCC(CC=C)C(=O)Nc1ccccc1CC 121898061 WMBPEYOLYZIODG-UHFFFAOYSA-N 243.350 3.956 30 20 BHED C#CCCCCN[C@@H](CC)C1CCCCC1 130738005 SDVNJWSIXAWTEO-HNNXBMFYSA-N 221.388 3.738 30 20 BHED CC[C@@H]1CCC[C@@H](Nc2nccc(C)c2C#N)C1 135081788 XVZYKOOUMSYRBR-CHWSQXEVSA-N 243.354 3.642 30 20 BHED CC#CCCSCc1nc2ccccc2s1 154924963 ZMAZGBNXMVYAFM-UHFFFAOYSA-N 247.388 3.943 30 20 BHED CCCSCc1ccc(C#N)cc1Cl 169034885 ZLDVPVKNPLNSAL-UHFFFAOYSA-N 225.744 3.855 30 20 BHED C=CC[C@H](C)N[C@@H]1CCCOc2ccc(F)cc21 180952040 VBUXGLNMDSJEEG-SMDDNHRTSA-N 249.329 3.594 30 20 BHED N#CC1(COC(=O)CCC2CCCCC2)CCC1 183848341 ALUQPKSUGILCKP-UHFFFAOYSA-N 249.354 3.584 30 20 BHED CCC(C)(C)CNc1nc(Cl)c(C#N)s1 233039454 AYURVFMVJCJMKB-UHFFFAOYSA-N 243.763 3.516 30 20 BHED C(CCc1ccccc1)=NOCc1ccccc1 256172206 ASIMFFPNKPCJMQ-UHFFFAOYSA-N 239.318 3.822 30 20 BHED C/C(=C\Cl)C[C@]1(C=O)CC[C@@H](C)C1 307034507 SVOBAWHVJMMCOB-LCIINNLCSA-N 200.709 3.524 30 20 BHED C=C(CC)CN[C@@H](C)c1cc(F)cc(F)c1 313482790 MNZVNZJXSLBTOE-JTQLQIEISA-N 225.282 3.582 30 20 BHED C=CCCCSCc1nc(C)sc1C 337835039 HZTQSRHWPDRMTC-UHFFFAOYSA-N 227.398 3.959 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccc(C)cc1O 393776874 YMXCNGDVBJWUAF-OLZOCXBDSA-N 233.355 3.706 30 20 BHED C=CCN(CC1CCCCC1)[C@H]1CC[C@@H](C#N)C1 411254275 FPUMONACFQRZNY-CVEARBPZSA-N 246.398 3.747 30 20 BHED C[C@@H](SCCC#N)c1ccc(F)c(F)c1 413014314 PYSQDDIUYYNURS-MRVPVSSYSA-N 227.279 3.673 30 20 BHED C=CCCC(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C 416295720 UIZUWPBVNPIDKP-OLZOCXBDSA-N 237.387 3.626 30 20 BHED N#Cc1c(F)cccc1CSCCC1CC1 427687751 XMVZPRZKDYMMIL-UHFFFAOYSA-N 235.327 3.731 30 20 BHED C=CCN(CCC#N)C[C@H]1CCC[C@@H](CC)C1 430112045 VZKCHBLPWNQTRT-CABCVRRESA-N 234.387 3.604 30 20 BHED C=CC(C)(C)CNC(=O)[C@@H]1CCCC[C@@H]1CC 452776946 SYOAGXBXJWEPLH-QWHCGFSZSA-N 237.387 3.531 30 20 BHED C=CCN(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 475731058 MIPQSGIIMSRJCG-NWDGAFQWSA-N 237.774 3.950 30 20 BHED CC[C@@H](CN(CC)C[C@@H](C)C#N)c1ccccc1 509811950 LOMOFERRGDYUGL-GJZGRUSLSA-N 244.382 3.662 30 20 BHED C=CCCCN1CCC2(CCCC2)CC1 554888372 DAPFKYHZWAGOQF-UHFFFAOYSA-N 207.361 3.609 30 20 BHED C=C(C)CN1CCC(c2ccccc2F)CC1 605575838 GLIMNNZWLIHKDY-UHFFFAOYSA-N 233.330 3.581 30 20 BHED C=CCCN(Cc1ccc(F)cc1)CC1CC1 606898115 LUNWAOGLBRSNTK-UHFFFAOYSA-N 233.330 3.614 30 20 BHED CC[C@H](C)CS[C@@H](C#N)Cc1ccccc1 610684820 IWJMYCFKAAKJHD-GXTWGEPZSA-N 233.380 3.901 30 20 BHED C=C(CC)CSc1ccc([N+](=O)[O-])cc1F 618965004 PAHNCWPKZWBSED-UHFFFAOYSA-N 241.287 3.792 30 20 BHED C=CCCC(C)(C)NC(=O)c1cc(F)ccc1C 622980922 PKICELCIJFAZTG-UHFFFAOYSA-N 249.329 3.609 30 20 BHED C=CC1CCN(Cc2ccc3[nH]ccc3c2)CC1 628172680 QOJWKAKEKSNPHE-UHFFFAOYSA-N 240.350 3.566 30 20 BHED C=CCCCC(=O)O[C@@H]1CCc2ccc(F)cc21 748674941 JEIFOFZRXWBPLD-CQSZACIVSA-N 248.297 3.713 30 20 BHED CCCCCCCCNC(=O)N(CC)C(C)C 755075831 QEJQVRUVOMOXIW-UHFFFAOYSA-N 242.407 3.787 30 20 BHED CCC(Cc1ccc(C)cc1)=NOCC(F)F 758903590 IIPPUFKFHOOBCB-UHFFFAOYSA-N 241.281 3.585 30 20 BHED C#CCCN(CCCC)[C@H](C)c1ccccc1 760818490 FJCNJHIKYCEONX-OAHLLOKOSA-N 229.367 3.873 30 20 BHED COc1ccc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 762434410 OWUVCDWMMUJGAI-AVGNSLFASA-N 244.338 3.529 30 20 BHED CC(C)=CCNc1ccc(OC(C)C)c(C#N)c1 763173208 BXTPVTHEFPYAOA-UHFFFAOYSA-N 244.338 3.724 30 20 BHED CCC(CC)NN=C1CCC[C@H](C)[C@H]1C 781127749 QFRGSIAXOQNAIA-WDEREUQCSA-N 210.365 3.577 30 20 BHED CCCCNN=C(C)c1csc(Cl)c1 787154114 VFIUEBUWIDCGHP-UHFFFAOYSA-N 230.764 3.515 30 20 BHED C#C[C@@H](CCC)NC(=O)[C@H](CC)CC1CCCC1 791742692 KZSNXHXCRVRHIA-CABCVRRESA-N 249.398 3.511 30 20 BHED CC[C@@H](C)CON=C(C)c1ccccc1C 793146013 NWRBGMPSIHFRNV-LLVKDONJSA-N 219.328 3.782 30 20 BHED CC[C@@H](C)C(C)=NNc1cccc(Cl)n1 793163341 IZIPICZGTGCQDE-MRVPVSSYSA-N 225.723 3.569 30 20 BHED CC[C@@H]1CC[C@@H](C)CC1=NO[C@H]1CCCCO1 797402049 UNQXPLDYKFIHSY-BZPMIXESSA-N 239.359 3.732 30 20 BHED CC[C@H](C)NN=C1C[C@H](C)CC[C@H]1CC 797403617 SISWKZGQLXPHQP-GRYCIOLGSA-N 210.365 3.577 30 20 BHED CCCCCCCC(=O)N1CCC=C(C)C1 798088386 NFDCVVMCLIHLQP-UHFFFAOYSA-N 223.360 3.526 30 20 BHED C(=NNCC1CCCC1)c1coc2ccccc12 808007124 QWFFQWJJYZRIRU-UHFFFAOYSA-N 242.322 3.547 30 20 BHED CCC(=NOCCOC(C)C)C1CCCCC1 812238556 ZUEKBFDRBRDPLW-UHFFFAOYSA-N 241.375 3.774 30 20 BHED c1cncc([C@@H]2CCCC(=NOCC3CC3)C2)c1 814244966 OTPXZLZZYIZTKJ-CYBMUJFWSA-N 244.338 3.522 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C=C(\C)c1ccco1 831732677 MJPGOEDAPCSBIF-XZHRJIJLSA-N 247.338 3.544 30 20 BHED CC(C)(C=NOCCC1CC1)Oc1ccccc1 834982041 KNTBJDQGLREQBZ-UHFFFAOYSA-N 247.338 3.647 30 20 BHED CCC[C@@H](C)C(CC)=NN[C@@H](C)C(F)(F)F 834999737 HHIRQHSEVJFGEX-BDAKNGLRSA-N 238.297 3.729 30 20 BHED CCC(=NNc1ccc(OC)cc1)[C@@H]1C[C@@H]1C 841634536 YUQICEVUOHZQLN-GXFFZTMASA-N 232.327 3.529 30 20 BHED C=CCC[C@H](N[C@H]1C=CCC1)c1ccco1 850510865 WVONHETZATWMGZ-STQMWFEESA-N 217.312 3.595 30 20 BHED CC(CC(C)(C)C#N)=NOC1CCCCC1 853334852 DGLKVFWBDAVWPJ-UHFFFAOYSA-N 222.332 3.651 30 20 BHED C=CC(C)(C)C(=O)OC[C@@H]1CCCC(F)(F)C1 1122873252 ASJYHEGECGOJOR-SNVBAGLBSA-N 246.297 3.567 30 20 BHED C=C(C)CCN(CCc1ccccc1)C(C)C 1321827392 PHEDRWVCTDHSKM-UHFFFAOYSA-N 231.383 3.906 30 20 BHED CC1CC(CN(C)[C@@H](C)c2cccc(C#N)c2)C1 1460278415 NHBXCJMWLIZSBK-OWYJLGKBSA-N 242.366 3.597 30 20 BHED CC1(C)CCC[C@@H](CNc2ccc(C#N)cn2)C1 1651151582 YKUVIUBHJKMMLB-GFCCVEGCSA-N 243.354 3.582 30 20 BHED CC(C)(C)CNc1cccc(OCCCC#N)c1 41120871 JTXDCZQZNZHHQD-UHFFFAOYSA-N 246.354 3.827 30 20 BHED Cc1ccc(Oc2ccnc(C#N)c2)c(Cl)c1 61815471 KEQVMYQIKYJFEP-UHFFFAOYSA-N 244.681 3.707 30 20 BHED CCC1(CC)CCN(c2cccc(F)c2C#N)C1 94802808 HYGCJMKWRSOOEB-UHFFFAOYSA-N 246.329 3.714 30 20 BHED N#Cc1nc(NC2CCCCCC2)ccc1Cl 110078664 LPLDGYLWPRJWHG-UHFFFAOYSA-N 249.745 3.741 30 20 BHED CCCCCCC[C@H](C)NCCSC 111871821 RJBZJRHDBFBREN-LBPRGKRZSA-N 217.422 3.688 30 20 BHED C=C[C@@H](C)N[C@H](C)c1sc(C(C)C)nc1C 119321082 ITVUFYJRCBZETI-NXEZZACHSA-N 238.400 3.800 30 20 BHED C=CCCNc1ccccc1N1CCCCC1 146199511 TXBUAEAXYMFINY-UHFFFAOYSA-N 230.355 3.665 30 20 BHED C=C[C@@H](C)NC(=O)C[C@@H](c1ccccc1)C(C)C 153916007 AKZJSFCDAHHHDZ-UKRRQHHQSA-N 245.366 3.507 30 20 BHED C=CCN(C)C(=O)[C@@H](CC)CC1CCCCC1 161703431 GSHZAFGBQVJBOH-AWEZNQCLSA-N 237.387 3.627 30 20 BHED C#Cc1cccc(NCCCC(C)C)c1 165166469 ICVDIUGKPBBOLW-UHFFFAOYSA-N 201.313 3.516 30 20 BHED CC1(C)CCCC[C@@H]1N[C@H]1CCC[C@H](C#N)C1 185860633 MPQWTYHBDVWKQT-IHRRRGAJSA-N 234.387 3.627 30 20 BHED C[C@@H](Sc1ccccn1)c1cccc(C#N)c1 189776088 RIGQLBVGAZWGNY-LLVKDONJSA-N 240.331 3.807 30 20 BHED CCN(C/C(C)=C\c1ccccc1)C[C@H](C)C#N 255638120 ABGMTNSYVHKKRV-BAAYTWLHSA-N 242.366 3.571 30 20 BHED C=CCCCc1nc([C@@H]2CCCCS2)no1 274183517 ZMMXVZWCUBLOTR-JTQLQIEISA-N 238.356 3.537 30 20 BHED CSc1ccccc1CN(C)[C@H](C)CCC#N 298491707 JOHSFMBAISXBPM-GFCCVEGCSA-N 248.395 3.533 30 20 BHED C[C@H](CCC#N)N1CCC(c2ccsc2)CC1 299451661 WSJWDGKQLVELEA-GFCCVEGCSA-N 248.395 3.620 30 20 BHED C=CCC(C)(C)CN[C@H]1CCC[C@H](C)C1 310216804 DMNMGEXTGMIUJZ-STQMWFEESA-N 209.377 3.757 30 20 BHED CC(C)N(CCC#N)C[C@@H](C)C1CCCCC1 310483964 MIHPEUTYFSLKSR-CQSZACIVSA-N 236.403 3.827 30 20 BHED C=C(Cl)CN[C@H](CC)c1cccc(C)c1 379831373 YCKNXBRUSHMJHV-CYBMUJFWSA-N 223.747 3.788 30 20 BHED C[C@@H](SCCC#N)c1ncc(C(C)(C)C)o1 413014062 PSYBLHOJKYIBKG-SECBINFHSA-N 238.356 3.680 30 20 BHED N#CCCSC[C@@H]1CCC2(CCCCC2)O1 413016210 VRJLGFAQDFMITN-LBPRGKRZSA-N 239.384 3.515 30 20 BHED C=CCC1(CNCc2cccnc2C)CCCC1 449602732 DNJUQBQIVSOPQA-UHFFFAOYSA-N 244.382 3.616 30 20 BHED CC(C)=CCC[C@H](C)Nc1ccc(C#N)nc1 450674578 NJJJROXCSVSECM-LBPRGKRZSA-N 229.327 3.500 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 451421219 NYTNYMFGGNGNHF-RQJABVFESA-N 237.387 3.530 30 20 BHED CC#CCCCC(=O)N[C@H](CCC)C(C)(C)C 452676852 UMSQOCDEEUXCSX-CYBMUJFWSA-N 237.387 3.511 30 20 BHED C=CCCCCCSC[C@@H]1CCCO1 485573410 COFKXAHKBLWEED-LBPRGKRZSA-N 214.374 3.645 30 20 BHED C=C1CCN(C(=O)C[C@H]2CCCCC2(C)C)CC1 503032196 KZDWEFKDWUBVKB-CQSZACIVSA-N 249.398 3.772 30 20 BHED C=C(C)CCOc1ccc(C(=O)CC)cc1F 505547745 UQAVCVLGCJHZDN-UHFFFAOYSA-N 236.286 3.763 30 20 BHED C=CCN(CC=C)Cc1ccccc1OC(C)C 521374340 ZARARVUDQPZLDL-UHFFFAOYSA-N 245.366 3.648 30 20 BHED CC1C[C@@H]2CC[C@H](C1)N2[C@@H](C#N)c1ccccc1 595856393 BTDIXEUTAPJDEX-WDVRLDOZSA-N 240.350 3.514 30 20 BHED Cc1ccc(C)c(NC[C@H](C)CCC#N)c1 602489749 OTFKKWAOEPEATN-GFCCVEGCSA-N 216.328 3.655 30 20 BHED C=CCCCN(C)[C@@H](C)c1ccc(F)c(F)c1 605149804 UXQOOOXHWXAGCS-NSHDSACASA-N 239.309 3.924 30 20 BHED C=C(C)c1ccc(OC)c(COC2CCC2)c1 649444386 RLQXBZLTQFSQEX-UHFFFAOYSA-N 232.323 3.797 30 20 BHED C=CCC1(NC(CCC)CCC)CCOCC1 668552497 NDGKAZNUXZSGGZ-UHFFFAOYSA-N 239.403 3.670 30 20 BHED C=CCCC(=O)N(c1ccc(C)cc1)C(C)C 726509198 MCBAIBCYJMUKPC-UHFFFAOYSA-N 231.339 3.703 30 20 BHED C=C(Cl)CN1CCCC[C@@H]1[C@@H](C)CC 740423834 UDJIAGMVLMOKJU-CMPLNLGQSA-N 215.768 3.640 30 20 BHED C=CCCCON=Cc1ccc(CC)cc1 740872508 DKRJPPMXUBTWNU-UHFFFAOYSA-N 217.312 3.566 30 20 BHED CCC(CC)NN=Cc1ccc(F)c(Cl)c1 755729605 AFJNLJKPOGSCLJ-UHFFFAOYSA-N 242.725 3.591 30 20 BHED CCCc1ccc(C(C)=NOCC(F)F)cc1 758912386 VLFXWXNFIRLDMT-UHFFFAOYSA-N 241.281 3.645 30 20 BHED c1ccc(CC(=NOC2CCCC2)C2CC2)cc1 774601393 COGVZUBEJTUNLM-UHFFFAOYSA-N 243.350 3.954 30 20 BHED Cc1cc(CNc2cc(C#N)ccc2C)c(C)o1 779590027 NCVQYNVDTOUALR-UHFFFAOYSA-N 240.306 3.689 30 20 BHED C#CCCCCCC(=O)O[C@@H](C)CC(C)C 780328415 PFGZZMGOVMUMJS-ZDUSSCGKSA-N 224.344 3.548 30 20 BHED C=C[C@H](C)NC(=O)[C@](C)(CC)CCCCC 780888079 JJQVFWZVUBUMSR-GXTWGEPZSA-N 225.376 3.674 30 20 BHED C=CCCCCCOC(=O)[C@H](C)c1ccco1 783839954 YBJUGWYETLQCDM-GFCCVEGCSA-N 236.311 3.673 30 20 BHED CCCCCCCN1CCC[C@](C)(C#N)C1 784455795 WDCNVXMYKBVNGB-CQSZACIVSA-N 222.376 3.582 30 20 BHED C#C[C@H](CCC)NC(=O)CCCC[C@H](C)CC 791201187 SLOKMBJEZKLFHJ-ZIAGYGMSSA-N 237.387 3.511 30 20 BHED C[C@H](NN=C1CCC[C@@H](C)C1)C(C)(C)C 793113535 GDJWUNYBOFERER-MNOVXSKESA-N 210.365 3.577 30 20 BHED CC(C)C[C@@H](C)C=NNc1cccc([N+](=O)[O-])c1 799103992 JHDBTKVRSASJIG-LLVKDONJSA-N 249.314 3.675 30 20 BHED C(CCC1CC1)=NNc1nccc2sccc12 807964874 ZOBJGRQCJRBOBT-UHFFFAOYSA-N 245.351 3.884 30 20 BHED C=CCCCCOC(=O)c1cc2ccsc2[nH]1 811009420 WHYQLWNHZVJWID-UHFFFAOYSA-N 249.335 3.743 30 20 BHED CCC(=NOC1CCC1)C1CCCCC1 812235391 USOGKZMBLRDEAJ-UHFFFAOYSA-N 209.333 3.902 30 20 BHED CC(C)OCCON=C1CCC(C)(C)C[C@H]1C 812239660 ZLQPTBUOJUHGFA-GFCCVEGCSA-N 241.375 3.630 30 20 BHED Fc1ccc(C2CC(=NOCCC3CC3)C2)cc1 814246591 TVQVSGXPQKGLDX-UHFFFAOYSA-N 247.313 3.876 30 20 BHED Cc1cccc(CON=Cc2cccc(F)c2)c1 836718388 QUHLSUCVYPLCGG-UHFFFAOYSA-N 243.281 3.685 30 20 BHED C=CC[C@H]1CCCN(Cc2ncc(C(C)C)o2)C1 852408789 AUOCZZJADHLMTH-ZDUSSCGKSA-N 248.370 3.586 30 20 BHED C1CC(CON=C2CCC23CCCC3)C1 853440326 ABDDOOUKYIBFHM-UHFFFAOYSA-N 207.317 3.513 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H](F)c1ccccc1 856373983 HSMIRSPTLZZJOD-ZDUSSCGKSA-N 249.329 3.558 30 20 BHED FC(F)(F)c1cc(C=NOC2CCC2)cs1 863114317 GVMYAWSTTLANRA-UHFFFAOYSA-N 249.257 3.670 30 20 BHED C#CCCCCCCNCCC1CC(F)(F)C1 877577746 IGPYAPUDQDHYGP-UHFFFAOYSA-N 243.341 3.595 30 20 BHED C=CCC[C@H](C)Nc1cccc([C@H](C)C(=O)O)c1 901815184 JAKMORDEXANSRL-RYUDHWBXSA-N 247.338 3.641 30 20 BHED CC[C@H](N[C@@H]1CC=CCC1)c1cccc(C#N)c1 902872390 ZRFFIPSKGSCYBU-CVEARBPZSA-N 240.350 3.708 30 20 BHED Cc1cc(SCC2CCCC2)ncc1C#N 1307231374 IYOLAKIVOAQSFX-UHFFFAOYSA-N 232.352 3.544 30 20 BHED Cc1nc(SCC(C)(C)CC#N)sc1C 1329514222 CZWIXJNPBMTKBW-UHFFFAOYSA-N 240.397 3.792 30 20 BHED C=CCC(C)(C)CNC(=N)Nc1ccc(C)cc1 1333041059 UVBVKHLECUATTQ-UHFFFAOYSA-N 245.370 3.534 30 20 BHED C=C(CC)C(=O)Nc1ccc(OCCC)cc1C 1518994894 BXXSCBAGTRJWJU-UHFFFAOYSA-N 247.338 3.689 30 20 BHED C[C@@H]1CCC[C@H](CCN(CCC#N)CC2CC2)C1 1657466496 CSNUGWXMYLPLHS-HUUCEWRRSA-N 248.414 3.828 30 20 BHED Cc1ccc(Nc2snc(Cl)c2C#N)cc1 92581307 IPVHKAIQEHQPAZ-UHFFFAOYSA-N 249.726 3.720 30 20 BHED C=CCCC(=O)N(C)[C@@H](c1ccccc1)C(C)C 112586593 VWHXQBZTZNHDOS-MRXNPFEDSA-N 245.366 3.808 30 20 BHED C=CC[C@H](C)Nc1ncnc2sc(C)c(C)c12 134716123 PZPMAHBRNKGIQE-QMMMGPOBSA-N 247.367 3.685 30 20 BHED C=C(C)CN[C@H](c1ccc(OC)cc1)C(C)C 161695334 LEGLHEFNCOSUGT-HNNXBMFYSA-N 233.355 3.558 30 20 BHED Cc1ccc([C@H](C)N(C)CCCCC#N)c(C)c1 263767656 CDNZPPMIDITEPW-HNNXBMFYSA-N 244.382 3.990 30 20 BHED C=CCCCCCCN[C@@H](C)c1nccn1CC 297222588 HHJSUDFSCOEXLR-AWEZNQCLSA-N 249.402 3.690 30 20 BHED C[C@@H](CCC(C)(C)C)Nc1cccc(C#N)n1 301348899 UWOIEUHTRLUIEL-NSHDSACASA-N 231.343 3.580 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1nc(C)sc1C 309688753 IJETUCMCAFAGSJ-CABZTGNLSA-N 238.400 3.765 30 20 BHED CCN(CCCCC#N)c1cc(C)cc(C)c1 338728056 HDKFIJNBBVZMMX-UHFFFAOYSA-N 230.355 3.824 30 20 BHED C=C1CCN(Cc2ccc3occc3c2)CC1 347795730 XDFZLIUEFWYWKX-UHFFFAOYSA-N 227.307 3.585 30 20 BHED C=C1CCN(Cc2c(C)oc3ccccc23)CC1 353331211 UKECLUVGDBWLEA-UHFFFAOYSA-N 241.334 3.893 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CCCC 425638526 ZCQTXCDOEMGSNN-LBPRGKRZSA-N 225.376 3.626 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CCC(C)(CC)CC1 442953391 AIEJDIAYAUHQEH-HNNXBMFYSA-N 237.387 3.627 30 20 BHED C=CCOCCCN1CCC[C@H]1CCCCC 470774404 TVFCJPRODLUPTR-OAHLLOKOSA-N 239.403 3.624 30 20 BHED C=CCC(C)(C)C(=O)N[C@H]1CCC[C@H](C)CC1 504919172 JUJGOXCGOHRXOL-STQMWFEESA-N 237.387 3.674 30 20 BHED C=CCC[C@@H](C)NC1(c2ccc(F)cc2)CC1 543636472 ZCCOCLOCRYZHQT-GFCCVEGCSA-N 233.330 3.759 30 20 BHED C=CCCCCCN1CC[C@@H](c2ccncc2)C1 574701133 QWBONHRKDUTIMQ-MRXNPFEDSA-N 244.382 3.617 30 20 BHED C=C(C)CN1CC[C@H](c2ccccc2)[C@@H](C)C1 607752353 UAOOBIWCKVOFSA-HOCLYGCPSA-N 229.367 3.688 30 20 BHED C[C@]1(c2ccccc2)C[C@H]1Nc1ccc(C#N)cc1 610280488 SPPISCHOVKYVRI-IAGOWNOFSA-N 248.329 3.700 30 20 BHED C=CC[C@H]1CCCN(C(=O)C2(CC)CCCC2)C1 617782587 INNILULGSYKMIO-AWEZNQCLSA-N 249.398 3.772 30 20 BHED C=CCC1(NCc2ccoc2C)CCCC1 657703085 SJOREMLUMCQPRP-UHFFFAOYSA-N 219.328 3.567 30 20 BHED CCCCCCCC(=O)N(CC)C1CCC1 737591144 SIRJIQSUXFRCBX-UHFFFAOYSA-N 225.376 3.748 30 20 BHED COCC[C@@H](C)ON=Cc1ccc(C(C)C)cc1 755939559 IFPFVUAQECIDBT-CYBMUJFWSA-N 249.354 3.586 30 20 BHED Clc1cccc(CNN=C[C@@H]2CC=CCC2)c1 756833046 ZMKOUKNVFNJDGJ-GFCCVEGCSA-N 248.757 3.772 30 20 BHED CCOCCON=C1CCC(C(C)(C)C)CC1 774418994 XRZRQKKQNRCNKB-UHFFFAOYSA-N 241.375 3.632 30 20 BHED Cc1cccc(C)c1/C=C/C(=O)c1cscn1 776193170 WSQYKSJVOVHWGX-VOTSOKGWSA-N 243.331 3.656 30 20 BHED CC(C)C[C@H](C)C=NNc1cccc(Cl)n1 793180878 CVIRFIQBBNVJMU-JTQLQIEISA-N 239.750 3.815 30 20 BHED C=CC[C@H](CC)NC(=O)/C=C(\C)c1ccccc1 798554330 OGDHHRRIOYJKIR-LHNRBYRGSA-N 243.350 3.561 30 20 BHED C[C@H]1CC[C@@H](C=NOC2CCCCC2)C1 800816818 PLXAHINOAUKVEA-NWDGAFQWSA-N 209.333 3.758 30 20 BHED CC[C@@H]1CCC1=NN[C@@H](C)c1ccccc1 807967205 YMDWTIQLPLMPMA-NWDGAFQWSA-N 216.328 3.513 30 20 BHED C[C@@H]1CCC(=NOC/C=C/Cl)C[C@H]1C 811671678 JQBCQRRTTSKCKQ-VJBHTGLDSA-N 215.724 3.568 30 20 BHED CC(CCc1ccc(O)cc1)=NOCCC1CC1 814246833 ZWKLSPXQRNPLFA-UHFFFAOYSA-N 247.338 3.517 30 20 BHED Cc1cccc(F)c1NN=Cc1ccsc1C 814905143 PQFAXTFRQUGEOH-UHFFFAOYSA-N 248.326 3.950 30 20 BHED COCc1ccc(N[C@@H](C)CC(C)(C)C#N)cc1 829180619 WAERIYOTIODMES-LBPRGKRZSA-N 246.354 3.573 30 20 BHED CC(CC(C)(C)C)=NNc1ccc(Cl)cn1 853434915 KVUNIHLKVAVASN-UHFFFAOYSA-N 239.750 3.959 30 20 BHED C[C@@H](C=NOCC1CCC1)c1ccccc1 853439355 FAGWCIYTUQKNPE-LBPRGKRZSA-N 217.312 3.593 30 20 BHED CCC[C@@H]1CCCC[C@@H]1CN[C@@H]1CC[C@H](C#N)C1 1652667676 MKDHSQDBAKLDOL-ZJIFWQFVSA-N 248.414 3.875 30 20 BHED N#Cc1ccccc1COc1ccc2c(c1)CCC2 11834182 YHNADIKWRGZDLF-UHFFFAOYSA-N 249.313 3.626 30 20 BHED CCCCCCCCCNCc1ccncc1 59055632 SOQXZDKZVYAZON-UHFFFAOYSA-N 234.387 3.922 30 20 BHED CCCCCCC[C@H](C)NCc1cccnc1 59090244 MQBXBAIVNWXDQP-AWEZNQCLSA-N 234.387 3.920 30 20 BHED CC[C@H]1CCCN(c2ccc(C#N)cc2)CC1 79054118 GABRGDXTTAZEEO-ZDUSSCGKSA-N 228.339 3.575 30 20 BHED CC[C@H](C)C[C@@H](C)Nc1cccc(F)c1C#N 90795429 UYYQZLYJNHRDLH-WDEREUQCSA-N 234.318 3.934 30 20 BHED C=C(CNCc1sccc1C)c1ccccc1 110057613 IPQRWMXKYZZUQE-UHFFFAOYSA-N 243.375 3.860 30 20 BHED CC(C)OCCS[C@@H](C)c1ccc(C#N)cc1 118444361 VTEZISLVFMZNSI-LBPRGKRZSA-N 249.379 3.777 30 20 BHED Cc1ccc(NCc2ccc(C#N)s2)c(F)c1 128125632 WUOUEWMZEZSURL-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccccc1C 132207111 OYOCKUCISGYFQW-QWHCGFSZSA-N 203.329 3.610 30 20 BHED C=CCCOc1cc(Br)ccc1F 160208779 YOBPCWRKHDCMBR-UHFFFAOYSA-N 245.091 3.543 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1cc(C)oc1C 191132589 LSVRUNZCSIDYTJ-NHYWBVRUSA-N 249.354 3.676 30 20 BHED CCCC1CCC(N(C)CCCC#N)CC1 191420925 UQCQRXRILXTIBI-UHFFFAOYSA-N 222.376 3.581 30 20 BHED CC(C)(CCC#N)CN[C@H]1CCCCC1(C)C 229699080 NOGZTWMGCHULBA-ZDUSSCGKSA-N 236.403 3.875 30 20 BHED N#Cc1cccc(SC2CCCCC2)c1 229754507 CQWBBQFYRGFSMF-UHFFFAOYSA-N 217.337 3.983 30 20 BHED CCCCCSc1nccc(C#N)c1Cl 233101048 CLLUCVYZXNNRDO-UHFFFAOYSA-N 240.759 3.889 30 20 BHED CCc1ccc(C(=O)/C=C\c2ccccc2F)o1 255754457 IPLIOYSTZYOAKA-CLFYSBASSA-N 244.265 3.877 30 20 BHED C[C@H](CCC#N)N[C@H]1CCC[C@@H]1c1ccccc1 298539371 MXSJPRNACBBWRZ-BMFZPTHFSA-N 242.366 3.605 30 20 BHED C=CCCCCN[C@H]1CCCc2occc21 309185858 HCNVZAJLNBNGNY-ZDUSSCGKSA-N 219.328 3.603 30 20 BHED C=C(C)CNCC1CCC(C(F)(F)F)CC1 309313950 CNUVMFUELCAXNF-UHFFFAOYSA-N 235.293 3.521 30 20 BHED Cc1cnc([C@H](C)Sc2ccc(C#N)cc2)o1 334468258 FWEIMSGLASXGPP-JTQLQIEISA-N 244.319 3.708 30 20 BHED C[C@H]1CCC[C@H](C)N(Cc2cccc(C#N)c2)C1 353880143 JDMWPVXEWRINBL-KBPBESRZSA-N 242.366 3.569 30 20 BHED C=CCN(CC=C)Cc1ccsc1Cl 361499539 ZUZNXFVOLIVWFP-UHFFFAOYSA-N 227.760 3.576 30 20 BHED CC(C)c1ccccc1OCC1(C#N)CCC1 418803359 ZNRFDSBNFJMIAW-UHFFFAOYSA-N 229.323 3.883 30 20 BHED C[C@@H]1CC(C)(C)C[C@@H]1NCc1ccc(C#N)s1 421349322 IHXFCSURSVPQEP-MFKMUULPSA-N 248.395 3.534 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H](C)CCC(C)C 424566227 RBUSYKNWYGOTRR-GFCCVEGCSA-N 225.376 3.530 30 20 BHED CC[C@H](NCC1(CC#N)CC1)c1ccc(F)cc1 429784754 OHRVDNVETYRXJJ-AWEZNQCLSA-N 246.329 3.560 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)c1nccn1CC 449565726 KJTYFAKXMHCOBO-KGLIPLIRSA-N 249.402 3.689 30 20 BHED CC[C@@]1(C(C)C)C[C@@H]1NCC(C)(C)CCC#N 453614605 PTSFBUWPNYQTOL-ZFWWWQNUSA-N 236.403 3.731 30 20 BHED CCC1CCC(CN[C@H]2CCC[C@@H](C#N)C2)CC1 463281373 HCKDYGPQBCZDHC-FJBKBRRZSA-N 248.414 3.875 30 20 BHED C=CC[C@H](CC)N[C@H]1CCc2c(OC)cccc21 467401473 AHWIGVMSBMQHOE-WFASDCNBSA-N 245.366 3.627 30 20 BHED C=C(C)CCN1CCC(CC(F)(F)F)CC1 560169894 BXDFVBJUMHTHRQ-UHFFFAOYSA-N 235.293 3.617 30 20 BHED Cc1cc(NC(=O)CCCCCC#N)ccc1F 588156455 NYEXOLIYOSQVKP-UHFFFAOYSA-N 248.301 3.547 30 20 BHED C=CCCCN(Cc1ccccc1OC)C1CC1 605150038 HGEQUWWEXTXOIK-UHFFFAOYSA-N 245.366 3.626 30 20 BHED CC[C@@H](C)[C@@H]1CCCCN1CCCCC#N 610001962 POFOYDHMIIQSLV-KGLIPLIRSA-N 222.376 3.581 30 20 BHED C=CCCC(=O)N[C@](C)(CC)c1ccc(F)cc1 633795775 IHIMCLHHPWLVTE-OAHLLOKOSA-N 249.329 3.533 30 20 BHED Cc1cc(C=NNc2cccc(F)c2)ccc1F 729142753 ZENAUFVSBOOJNH-UHFFFAOYSA-N 246.260 3.719 30 20 BHED CCCCCCCOC(=O)c1cnc(C)s1 748882928 PAWBFXCBADENFY-UHFFFAOYSA-N 241.356 3.579 30 20 BHED C=C(C)COC(=O)CC[C@H](C)c1ccccc1 750109792 XNWGWYHBNYGFMX-ZDUSSCGKSA-N 232.323 3.690 30 20 BHED CCON=C(C)c1ccc(-c2ccccc2)o1 755892501 PGYQQKSQUCDPJX-UHFFFAOYSA-N 229.279 3.707 30 20 BHED Cc1cc(C=NNc2ccc(Cl)cc2)c(C)o1 767893320 NSXIPMOENBRHEH-UHFFFAOYSA-N 248.713 3.996 30 20 BHED Cc1ccc(CCON=Cc2cccs2)cc1 767932166 TWQSWXZJJBVOGF-UHFFFAOYSA-N 245.347 3.650 30 20 BHED Cc1cc(/C=C/C(=O)c2ccco2)cnc1Cl 769769792 CJDNFZQBGRPZGT-SNAWJCMRSA-N 247.681 3.533 30 20 BHED C(=NOC1CCCCC1)c1cccc2[nH]ccc12 777457363 RDTUIRQCNDFKLW-UHFFFAOYSA-N 242.322 3.851 30 20 BHED C=C[C@@H](C)NC(=O)[C@](C)(CC)CCCCC 780888084 JJQVFWZVUBUMSR-TZMCWYRMSA-N 225.376 3.674 30 20 BHED CC(CCc1ccco1)=NN[C@@H]1CCCC1(C)C 782289260 UBXRUCJJKCMQLR-CQSZACIVSA-N 248.370 3.756 30 20 BHED C[C@H](C#N)OCCSC1CCC(C)(C)CC1 801658695 GQWPBFQBPVEGHQ-LLVKDONJSA-N 241.400 3.617 30 20 BHED C#C[C@H](NC(=O)CC1(C)CCCCC1)C(C)(C)C 807884593 QEMRCGVZCDPBCB-ZDUSSCGKSA-N 249.398 3.511 30 20 BHED C#C[C@H](CC)N[C@@H]1CCC[C@H]1c1ccc(C)cc1 809686043 JRUBCNHDOSSENO-IXDOHACOSA-N 241.378 3.633 30 20 BHED C=CC(C)(C)C(=O)N[C@H](C)CCCCCC 822350065 CRBUNKKJSKWPCH-GFCCVEGCSA-N 225.376 3.674 30 20 BHED CC[C@@H](C)[C@@H](CC)OC(=O)CCCCCC#N 835586294 ACXMYVMHIAPICS-CHWSQXEVSA-N 239.359 3.828 30 20 BHED C#CCCCCCCNC[C@H](C)CC(F)(F)F 877589742 QSTKLCNTBFWJON-GFCCVEGCSA-N 249.320 3.748 30 20 BHED C=C[C@H](CC)CC(=O)Nc1cc(F)ccc1F 901180486 XNJNDGQQIAGHQH-SECBINFHSA-N 239.265 3.506 30 20 BHED CCSc1ccccc1CN(C)[C@@H](C)CC#N 929833566 ZOAFXNDINCBXOD-LBPRGKRZSA-N 248.395 3.533 30 20 BHED CCCCCCCS[C@H](C)c1nncn1C 1327135512 WKKJTSVLRYRYGG-LLVKDONJSA-N 241.404 3.580 30 20 BHED C[C@@H](SCC1(CC#N)CC1)c1cccnc1 1328037114 ACELPNIYYQKYLU-LLVKDONJSA-N 232.352 3.570 30 20 BHED CC(C)(C)ON=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 1336205142 LBORVFIQIBBPLG-KXNHARMFSA-N 221.344 3.614 30 20 BHED CC(C)CNc1ccc(C#N)c(C(F)(F)F)c1 34960766 LMAZSLGPUGSOFJ-UHFFFAOYSA-N 242.244 3.645 30 20 BHED C[C@@H]1CCC[C@H]1Nc1ccc(Cl)cc1C#N 70832725 MDXKKNBVYSZQRK-BXKDBHETSA-N 234.730 3.812 30 20 BHED C[C@H]1C[C@@H](c2cccc(F)c2)N(CCCC#N)C1 75842797 UKAZKYHVZQYCMF-WFASDCNBSA-N 246.329 3.512 30 20 BHED C[C@H](Nc1ccc(F)cc1C#N)c1ccsc1 113317688 XLWVXVHGCCQQLO-VIFPVBQESA-N 246.310 3.932 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cccc(Cl)c1 116907708 FRXFOYPCIPUPSU-MNOVXSKESA-N 223.747 3.955 30 20 BHED C=CC[C@@H](C)N[C@H]1CCCc2ccccc21 116907843 KNJPTSOBRSQKLE-DOMZBBRYSA-N 215.340 3.618 30 20 BHED CC1(C)CCC/C(=C/c2ccccc2C#N)C1=O 121336614 OJEVFTIDNXBTPV-RAXLEYEMSA-N 239.318 3.721 30 20 BHED C=CCC[C@H](C)N[C@H](C)CCc1ccco1 126723651 VCFJDASXQBTGJV-QWHCGFSZSA-N 221.344 3.545 30 20 BHED Cc1cccc(NCc2ccc(C#N)s2)c1 135497062 VWURQQOBYCJEEW-UHFFFAOYSA-N 228.320 3.540 30 20 BHED C[C@H](CN[C@H](C)c1cccc(C#N)c1)C(C)(C)C 162671029 AXRHDVQFOLWYPG-CHWSQXEVSA-N 244.382 3.891 30 20 BHED O=C(/C=C\c1cc(F)cc(F)c1)c1ccccc1 169565590 AWTCOZPMTWKEIJ-SREVYHEPSA-N 244.240 3.861 30 20 BHED N#Cc1cccc(CNc2ccsc2Cl)c1 189520830 CDLYATDWSAJNLT-UHFFFAOYSA-N 248.738 3.885 30 20 BHED CCC(C)(C)CN[C@@H](C)c1cccc(C#N)c1 189992711 ZVBKECMMKHZBCO-LBPRGKRZSA-N 230.355 3.645 30 20 BHED CC(C)(CCC#N)CN[C@@H]1CCc2ccccc21 229671269 XIFXAOCANACTFU-OAHLLOKOSA-N 242.366 3.593 30 20 BHED C=C(C)CCNc1cc(F)cc(Cl)c1 230003660 XTCGVNGUWDADCF-UHFFFAOYSA-N 213.683 3.857 30 20 BHED CCC1(CNCc2cccc(C#N)c2)CCCC1 230200052 DCYVZQPPGHGVJV-UHFFFAOYSA-N 242.366 3.618 30 20 BHED C=CCCC(=O)N[C@H](c1ccccc1C)C1CC1 264860285 NLNIVIJKNFSCMV-INIZCTEOSA-N 243.350 3.529 30 20 BHED C=CCC(C)(C)CNC[C@@H]1CC=CCC1 310240751 IMWOXHCPFKIVFC-CYBMUJFWSA-N 207.361 3.535 30 20 BHED C=C(C)CCN[C@H](CC)c1ccccc1OC 351723617 ZTMLPZDAEWWNJV-CQSZACIVSA-N 233.355 3.702 30 20 BHED C=CCCCCN[C@@H]1CCC[C@@H]1CCCF 381622024 CVTGBRYCDHMXIB-ZIAGYGMSSA-N 227.367 3.851 30 20 BHED C=CC(C)(C)CN[C@H]1CCCC12CCC2 394848647 DMVYQMJTPWNLMT-LBPRGKRZSA-N 207.361 3.511 30 20 BHED CC(C)(CN[C@H]1CC[C@H](C#N)C1)C1CCCCC1 442824586 HEZQGWVZLQEDBH-ZFWWWQNUSA-N 248.414 3.875 30 20 BHED C=CC(C)(C)CNCc1cccc2ccoc12 449484458 HHWFAIZZGFEYAB-UHFFFAOYSA-N 229.323 3.735 30 20 BHED C=CCC1(C(=O)N2CCC[C@@H](C)CC2)CCCC1 449811078 OTJFWSOOZBLUCT-CQSZACIVSA-N 249.398 3.772 30 20 BHED CC#CCSC[C@@H](C)c1ccccc1 464075098 POJUVIVKEALNPB-GFCCVEGCSA-N 204.338 3.547 30 20 BHED C=CCCCCNC[C@@H]1C[C@@H]1c1ccccc1 472052701 FWAQSXZRFUGVPX-JKSUJKDBSA-N 229.367 3.736 30 20 BHED C=CCCC1(C(=O)N[C@H]2CCCC(C)(C)C2)CC1 476923665 LEFWXOONCOVULS-ZDUSSCGKSA-N 249.398 3.818 30 20 BHED CCCc1cccc(CN(CC)C[C@@H](C)C#N)c1 481893409 MBAWQDQNFOIBBY-AWEZNQCLSA-N 244.382 3.621 30 20 BHED C=C1CCN(CCSC2CCCCC2)CC1 500121542 GFIPFZVRSQVRDA-UHFFFAOYSA-N 239.428 3.704 30 20 BHED C=C(C)COCCNC1CCC(C)(CC)CC1 537957936 ACQNMMOSZTUBKJ-UHFFFAOYSA-N 239.403 3.528 30 20 BHED C=CCC(C)(C)c1noc(CC(CC)CC)n1 556363406 HBBKUUAXNMDHTL-UHFFFAOYSA-N 236.359 3.902 30 20 BHED C=CCCCCSCc1c(C)noc1C 557241488 JNFCVRWOZJAUTR-UHFFFAOYSA-N 225.357 3.881 30 20 BHED C=CCCCCSCCCCOC 562823914 VCERNZZZRWELFG-UHFFFAOYSA-N 202.363 3.503 30 20 BHED C[C@H](CCC#N)CN[C@H](C)[C@H](C)c1ccccc1 602564665 NKSLWXOTYMYCPU-QLFBSQMISA-N 244.382 3.708 30 20 BHED C=CCCCN(CC=C)Cc1ccc(OC)cc1 605149990 BQWLDIIRPZBVFI-UHFFFAOYSA-N 245.366 3.649 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C2(CC)CCCC2)C1 617782588 INNILULGSYKMIO-CQSZACIVSA-N 249.398 3.772 30 20 BHED C=C(C)CSc1ccnc2c(OC)cccc12 681958335 HUGCODCLNHGMJJ-UHFFFAOYSA-N 245.347 3.912 30 20 BHED C[C@H]1C[C@@H]1C=NNc1ccc(C(F)(F)F)cc1 746576056 KQFHPMAEEHVMMC-DTWKUNHWSA-N 242.244 3.759 30 20 BHED C#CC[C@@H](N[C@H](C)CC1CCC1)c1ccccc1 773108271 VIOXHIAHMZMGOW-RHSMWYFYSA-N 241.378 3.919 30 20 BHED Clc1ccnc(NN=CC2CCCCC2)c1 777905157 CMSAAWUDLAWJBJ-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C#CCCCCCC(=O)N1CCC[C@H]1CC(C)C 780451958 XDFGMFWTBQMVOD-HNNXBMFYSA-N 249.398 3.607 30 20 BHED Cc1cc(C)cc(NN=C[C@]2(C)CCCS2)c1 792936381 LZLHXHLCYBEFEJ-AWEZNQCLSA-N 248.395 3.987 30 20 BHED c1ccc([C@H]2CCCC2=NOCC2CC2)cc1 814241086 DBXHVJSJMBTZHK-CQSZACIVSA-N 229.323 3.737 30 20 BHED C=C[C@@H](CC)CC(=O)N1CC2(CCC2)[C@@H]1C(C)C 820216179 PLECWNSBBAQESF-ZFWWWQNUSA-N 249.398 3.626 30 20 BHED C[C@@H](C#N)OCCSCC1(C)CCCCC1 829875848 CAELXOREBVYDBX-LBPRGKRZSA-N 241.400 3.619 30 20 BHED C=C(C)CCNC(=S)Nc1cc(C)ccc1C 840792321 KPSVGRUTQHUOPD-UHFFFAOYSA-N 248.395 3.556 30 20 BHED CCC(=NNc1ccnc(Cl)c1)C(C)C 853394284 KTWZJBLTXFTRKQ-UHFFFAOYSA-N 225.723 3.569 30 20 BHED C=C(Cl)COC(=O)C[C@H](C)CC(C)(C)C 919498172 ZPPSTZSAKFZOHQ-VIFPVBQESA-N 232.751 3.745 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1cccc2[nH]ccc12 931494574 YVVMYVDRXKFKKM-NSHDSACASA-N 242.322 3.709 30 20 BHED CC(C)C[C@]1(C)CCCN1C[C@@H](C)CCC#N 1474534842 JSOJMEDPNVSPCR-GJZGRUSLSA-N 236.403 3.827 30 20 BHED CC#CCSc1nc2cc(Cl)ccc2o1 6820252 VSSXOIUZCFOEMJ-UHFFFAOYSA-N 237.711 3.597 30 20 BHED N#Cc1cnc(SC2CCCC2)c(Cl)c1 78727403 KTUZVOWCRZXFBS-UHFFFAOYSA-N 238.743 3.641 30 20 BHED CCCCCCCNC(=O)CC(C)(C)C 104596918 JRRFJAPEVIHMSQ-UHFFFAOYSA-N 213.365 3.509 30 20 BHED C[C@@H](N(C)c1ccc(F)cc1C#N)C(C)(C)C 111036463 FCWAPYOVYIAVAM-SNVBAGLBSA-N 234.318 3.568 30 20 BHED C#CCCCCC(=O)N(C(C)C)C1CCCCC1 121033990 YXRAWTJJHIVRJF-UHFFFAOYSA-N 249.398 3.750 30 20 BHED N#CCCOc1ccc2oc3c(c2c1)CCCC3 123368233 QNKCRYBIGGDOIQ-UHFFFAOYSA-N 241.290 3.604 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@@H](CC)CC1 150726506 MCMJYCNLBUOITP-CQSZACIVSA-N 249.398 3.794 30 20 BHED C=CCC(CC=C)C(=O)N1C[C@@H](C)CCC[C@H]1C 150858726 YDHBLYHOMRBGBO-UONOGXRCSA-N 249.398 3.792 30 20 BHED CC(C)n1cc(/C=C2/CCCC(C)(C)C2=O)cn1 177022042 IYBFKDFLTRAGDV-JYRVWZFOSA-N 246.354 3.627 30 20 BHED C=CCN[C@@H](C)c1ccc(SCC)cc1 182121221 QKNQRJBJADAHPE-NSHDSACASA-N 221.369 3.635 30 20 BHED C[C@@H](C#N)SCCCCc1ccccc1 186724601 HAXVLAFUIHHDPK-LBPRGKRZSA-N 219.353 3.655 30 20 BHED N#CCCCCN1CCC=Cc2ccccc21 191297973 WEXIDCCLUXXBMK-UHFFFAOYSA-N 226.323 3.604 30 20 BHED Cc1ccc(F)cc1OCc1ccccc1C#N 230402671 MWELXXOULHGSAB-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=C(C)CSc1cc(F)ccc1F 306684958 DKZRZRVYJCKWKI-UHFFFAOYSA-N 200.253 3.633 30 20 BHED C=C(Cl)CN[C@@H]1C[C@H](C)CC[C@@H]1CC 308738707 NCSFAPQNEUOKDQ-ADEWGFFLSA-N 215.768 3.543 30 20 BHED C=C[C@H](C)N[C@@H](CC)c1cccc(C)c1 308785153 AQRVIMLSXIQXTG-JSGCOSHPSA-N 203.329 3.610 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc(F)c(C)c1 309561833 LGVFDQLNPBBAAZ-NWDGAFQWSA-N 221.319 3.749 30 20 BHED Cc1ccc(CN(CCC#N)CCC(C)C)cc1 353418518 FFIIMXMJODBEGI-UHFFFAOYSA-N 244.382 3.757 30 20 BHED C=C(CC)CN(Cc1cccs1)C1CC1 358628262 KAMXTALBYQWOSL-UHFFFAOYSA-N 221.369 3.679 30 20 BHED C=CCCCCCCN[C@H]1C[C@H](C)O[C@H](C)C1 382412031 HZOXZDPZQTXICR-QDMKHBRRSA-N 239.403 3.669 30 20 BHED CCN(Cc1ccc(C#N)c(F)c1)CC(C)(C)C 404076564 QUTGDIZYQNFERH-UHFFFAOYSA-N 248.345 3.565 30 20 BHED C=CCCCSCc1nnc(C(C)C)s1 419410112 OEXMXEWEXOJPEL-UHFFFAOYSA-N 242.413 3.861 30 20 BHED C=C1CCN(C(=O)C2(CC(C)C)CCCC2)CC1 446183613 MBOINODEKVEJFZ-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=C(C)CCN[C@@H](C)[C@@H](C)c1ccc(OC)cc1 508968609 YIVNXZPHTQBDTR-KGLIPLIRSA-N 247.382 3.743 30 20 BHED C=C1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 510492115 OJNHDBXMOHSYQS-SHTZXODSSA-N 249.398 3.627 30 20 BHED CCC[C@@H](C)[C@H]1CCCN1CCC(C)(C)C#N 537386513 VXPIOGQWSAARFL-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CC1(C)C 595910960 VAEXFEWZAGWUBG-IUODEOHRSA-N 242.366 3.597 30 20 BHED CCC[C@@H](NC[C@H](C)CCC#N)C1CCCC1 602687376 LEXQBBDCLYCDGF-UKRRQHHQSA-N 236.403 3.875 30 20 BHED C=CCCCN(CCc1cccc(F)c1)C1CC1 605150998 RWTCCDDTAJHBGO-UHFFFAOYSA-N 247.357 3.799 30 20 BHED C=CCCN(CC(C)C)c1ccc(C#N)cc1 610080281 OLKCUISTCYYESA-UHFFFAOYSA-N 228.339 3.597 30 20 BHED C=CCN(C(=O)c1cccc(F)c1C)C(C)(C)C 622945552 IDXLHLXFVHPGNG-UHFFFAOYSA-N 249.329 3.561 30 20 BHED C=CCN(C(=O)[C@H]1CCCC[C@@H]1C)C(C)(C)C 622945784 SRLBBCVUCFLGDV-STQMWFEESA-N 237.387 3.626 30 20 BHED C=CCCC(C)(C)NC(=O)Nc1ccccc1 663240510 CJUDSBYGOCXKLS-UHFFFAOYSA-N 232.327 3.553 30 20 BHED CCOc1ccc(N[C@@H](C)CC(C)(C)C#N)cc1 695776329 CTLBAIADRYEFGC-LBPRGKRZSA-N 246.354 3.826 30 20 BHED C=CCCCON=Cc1ccccc1OC(C)C 740872782 UPRMEKSJFSTKCD-UHFFFAOYSA-N 247.338 3.791 30 20 BHED C=C1CCN(C(=O)C(C)(C)CCCCC)CC1 753297707 CLEQYPSVWBJNSD-UHFFFAOYSA-N 237.387 3.772 30 20 BHED CCO[C@H]1CCCC1=NNc1cc(C)cc(C)c1 766434816 ZAUMNPYXYJRDDF-HNNXBMFYSA-N 246.354 3.660 30 20 BHED C[C@@H]1Cc2ccccc2C1=NOC1CCCC1 774596817 MQIIGQUGZSWEFJ-LLVKDONJSA-N 229.323 3.542 30 20 BHED C=CC[C@H](C(=O)OCC1CCC1)c1ccccc1 778418275 LSRRETSONHYCKX-HNNXBMFYSA-N 244.334 3.690 30 20 BHED C#CCCCCCC(=O)Oc1cc(C)ccc1C 779715091 JYXYHUYGARSNNA-UHFFFAOYSA-N 244.334 3.793 30 20 BHED C#CCCCCCC(=O)Nc1cc(C)cc(C)c1 779716214 VHFJUXGMKVMKBA-UHFFFAOYSA-N 243.350 3.826 30 20 BHED C#CCCCCCC(=O)N(C)[C@@H]1CCCC[C@H]1C 779804476 DKWZYIQZZMZCFG-HUUCEWRRSA-N 249.398 3.607 30 20 BHED CCc1ccc(/C=C\C(=O)c2cncs2)s1 787170954 DSRGTVSWPSPEIF-WAYWQWQTSA-N 249.360 3.663 30 20 BHED Fc1ccc(NN=C2CCC23CCCC3)cc1 788697675 GNBFRGLQLQERSA-UHFFFAOYSA-N 232.302 3.948 30 20 BHED Cc1cc(C)cc(NN=C[C@@]2(C)CCCS2)c1 792936382 LZLHXHLCYBEFEJ-CQSZACIVSA-N 248.395 3.987 30 20 BHED CC(CCCC(C)C)=NNCCC(F)(F)F 794546915 XGMPTRPFAJGTPY-UHFFFAOYSA-N 238.297 3.731 30 20 BHED COCCCON=C1CCC[C@H]1CCC(C)C 795051081 MMCUVQNRGAGBNS-ZDUSSCGKSA-N 241.375 3.632 30 20 BHED COc1cccc(NN=C[C@H](C)CC(C)C)c1 799106639 LOULIBYWNYMFOX-GFCCVEGCSA-N 234.343 3.775 30 20 BHED CC(=NOCC1CC1)c1ccc(Cl)s1 814243964 ABQLUWRVHCWUEM-UHFFFAOYSA-N 229.732 3.552 30 20 BHED Clc1cccnc1NN=C1CC[C@@H]1C1CCC1 814810636 DRHXPNAWRKFJHN-SNVBAGLBSA-N 249.745 3.713 30 20 BHED C1CCC([C@@H]2CCCCC2=NNC2CC2)CC1 814903775 ZXCAFKNCQRMAAP-AWEZNQCLSA-N 234.387 3.865 30 20 BHED CC[C@H](C)CC=NNc1ncccc1Cl 834943020 SZDMGCFFZPARIN-VIFPVBQESA-N 225.723 3.569 30 20 BHED CC(CCC1CC1)=NNc1ccc(Cl)cn1 853437164 CSSHKTNNTADWEL-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C=CCCCCC[C@H](C)NCc1cccc(N)c1 854216111 VBHCUHIBABDZKW-AWEZNQCLSA-N 246.398 3.883 30 20 BHED CC(C)SCSc1ccc(C#N)cc1 863293150 OFZOKZCNNIIIHG-UHFFFAOYSA-N 223.366 3.749 30 20 BHED C[C@H](CCC#N)CNCC1(C)CCCCCC1 1180394534 XFSSYEYJNSZEGZ-CQSZACIVSA-N 236.403 3.876 30 20 BHED C=C(C)CCC(=O)N1CCC[C@@H]1CCC(C)C 1335857051 XEIKSDVLNFHTQW-CQSZACIVSA-N 237.387 3.770 30 20 BHED Cc1ccc(NN=Cc2occc2C)cc1Cl 1339603761 GVLKYYXHAJCOEJ-UHFFFAOYSA-N 248.713 3.996 30 20 BHED CC(C)CCOc1nc(C(C)(C)C)ccc1C#N 1559428778 WTJZRLBFEMEVAE-UHFFFAOYSA-N 246.354 3.676 30 20 BHED CCCCCCCCC(=O)Nc1cccnc1 8452372 PLKMFDNAAJBMJL-UHFFFAOYSA-N 234.343 3.771 30 20 BHED C=C(C)CN(CC)CCCc1ccccc1 52890396 JJRYDXTTXKBPHO-UHFFFAOYSA-N 217.356 3.517 30 20 BHED C[C@@H](NCCCC(C)(C)C#N)c1ccsc1 83641052 ANBYSUDSJVXFBE-LLVKDONJSA-N 236.384 3.729 30 20 BHED C[C@H]1CCC[C@H](Nc2ccc(F)cc2C#N)C1 113316971 BYKZJPVXMJAWHT-GWCFXTLKSA-N 232.302 3.688 30 20 BHED C=CCCCC[C@@H](C)NCc1ccc(C)o1 131933541 CSVBJPBWYQWYKB-GFCCVEGCSA-N 221.344 3.813 30 20 BHED C=C(C)CCNc1cccc(OC(F)(F)F)c1 164419845 NWJIDTWTIQEEIW-UHFFFAOYSA-N 245.244 3.963 30 20 BHED C=CCCCC(=O)Nc1cccc(OCCC)c1 175274259 TXJXTKNEJZRVSH-UHFFFAOYSA-N 247.338 3.770 30 20 BHED CC#CCCCC(=O)NCC1(CC(C)C)CCC1 185828755 IHPFJJNDZDVXMY-UHFFFAOYSA-N 249.398 3.513 30 20 BHED N#Cc1ccc(CNc2ccsc2Cl)cc1 189521292 FVMRCORZUKQXLW-UHFFFAOYSA-N 248.738 3.885 30 20 BHED C[C@H]1C[C@H](C)CC[C@@H]1Nc1cc(F)cc(C#N)c1 227619196 KSGVNZBLTVOXPF-ZETOZRRWSA-N 246.329 3.934 30 20 BHED CC[C@@H](C)[C@H](C)Nc1nc(Cl)c(C#N)s1 233868549 JPAYXJZWVGNQTN-RQJHMYQMSA-N 243.763 3.515 30 20 BHED O=C(/C=C\c1cncs1)c1cccc(Cl)c1 255470229 VXXFYOOPHNRFKK-PLNGDYQASA-N 249.722 3.693 30 20 BHED C=CCCSCc1ccnc(Cl)c1 267000924 GZJDGNCNGUKOCW-UHFFFAOYSA-N 213.733 3.544 30 20 BHED Cc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c(C)s1 274655075 UFGCPSZLDUIPKK-WCFLWFBJSA-N 248.395 3.708 30 20 BHED CCN(Cc1ccccc1C)[C@@H]1CC[C@H](C#N)C1 278627941 NYNANJDAPVSCOJ-GOEBONIOSA-N 242.366 3.509 30 20 BHED C=CC[C@@H](CC)NC(=O)Nc1cccc(C)c1C 281220127 DAFWJPWRCMOZJY-CYBMUJFWSA-N 246.354 3.780 30 20 BHED CCCCN(CCCC#N)C1CCCCC1 339795473 JDZIGXSQVBAHJF-UHFFFAOYSA-N 222.376 3.725 30 20 BHED CC[C@@H](C)N(Cc1ccccc1)CC1(C#N)CC1 343246950 IZCJJLRQBODEPR-CQSZACIVSA-N 242.366 3.591 30 20 BHED CC(C)(C)OCCCCSCC1(C#N)CC1 352918903 ZPNXMJZKCKSSKX-UHFFFAOYSA-N 241.400 3.619 30 20 BHED C=CCC[C@H](C)N[C@H](C)c1ccc2n[nH]cc2c1 353193820 BXFKJQZVRKXDNG-NWDGAFQWSA-N 243.354 3.568 30 20 BHED CCCc1ccc(CSCCC#N)cc1 413016649 WTAREYNPTNTKSA-UHFFFAOYSA-N 219.353 3.786 30 20 BHED N#CC1(CSCc2sccc2Cl)CC1 419597450 RFYRXGHLQYGNRS-UHFFFAOYSA-N 243.784 3.938 30 20 BHED CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(C)c1 424333440 UGQFZTUSUOIHQE-IMJJTQAJSA-N 242.366 3.728 30 20 BHED CC(C)c1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 442846121 NYWYUOIWEBXBPI-BBRMVZONSA-N 242.366 3.592 30 20 BHED C=CCC1(C(=O)N2CCC(C)CC2)CCCCC1 448563960 HYLPRZFTEASUDE-UHFFFAOYSA-N 249.398 3.772 30 20 BHED CC(=O)CCCCCSc1cccc(C#N)c1 450866302 WXQURXYBRHSQEV-UHFFFAOYSA-N 247.363 3.800 30 20 BHED C=CCCc1noc([C@H](C)c2cccc(C)c2)n1 453250056 XQGAZHUIHFTKRH-GFCCVEGCSA-N 242.322 3.648 30 20 BHED C[C@@H](NCC(C)(C)CC#N)[C@H](C)c1ccccc1 459737991 XCNZCDDRTBYBOK-UONOGXRCSA-N 244.382 3.708 30 20 BHED C=CCOCCCSc1cccc(C)c1 475999083 QIJRCALWTMQULC-UHFFFAOYSA-N 222.353 3.680 30 20 BHED C=CCSCc1cc(Cl)ccc1OC 522283421 GLNPBJGUKVUDQW-UHFFFAOYSA-N 228.744 3.768 30 20 BHED C=CCOc1cccc(CN[C@@H]2CCC2(C)C)c1 576427679 ZBIKLMXJNTVKDW-OAHLLOKOSA-N 245.366 3.530 30 20 BHED C=CCC[C@H](NC[C@@H]1C[C@@H]1C)c1ccccc1 576453379 SNALFFWGPDFTIP-BPUTZDHNSA-N 229.367 3.940 30 20 BHED CC[C@H](NCCC1(C#N)CCCCC1)C1CC1 595766231 NFXLAQUEXCHUCK-AWEZNQCLSA-N 234.387 3.629 30 20 BHED C=CCN(CCC#N)C[C@@H](C)c1ccc(C)cc1 600162386 RZRCZDSQEZVQCU-OAHLLOKOSA-N 242.366 3.500 30 20 BHED CSc1cccc(NC[C@@H](C)CCC#N)c1 602486031 XFNPDVYTZIWVFF-NSHDSACASA-N 234.368 3.760 30 20 BHED Cc1cccc2c1CC[C@H]2NC[C@H](C)CCC#N 602539063 AVCDJQJBBZUILY-MLGOLLRUSA-N 242.366 3.512 30 20 BHED C=CCCCSc1nc2ccccc2o1 605076210 PZVAMVONDQPHMH-UHFFFAOYSA-N 219.309 3.886 30 20 BHED C=CCCCSc1nc2ccccc2[nH]1 605076326 XUSVUMBYXUVIIP-UHFFFAOYSA-N 218.325 3.621 30 20 BHED C=CCCCN(C)CCCOc1ccccc1C 605150010 DORJRBMASSDZAE-UHFFFAOYSA-N 247.382 3.662 30 20 BHED C=CCN(C(=O)c1cc(C)cc(F)c1)C(C)(C)C 622944121 FQCWXTDQJVZHQX-UHFFFAOYSA-N 249.329 3.561 30 20 BHED C=CCN(C(=O)C[C@@H]1CC[C@H](C)C1)C(C)(C)C 622944223 KGVWJUCRODNPNO-QWHCGFSZSA-N 237.387 3.626 30 20 BHED CCCCCCCC(=O)N(C)C[C@H](C)CC 731998625 ZKQDBQGCYDECRO-CYBMUJFWSA-N 227.392 3.851 30 20 BHED Cc1ccc(F)c(C=NNc2ccccc2)c1 734976883 SQJYHMCRPSXXNE-UHFFFAOYSA-N 228.270 3.580 30 20 BHED CC(C)O[C@H]1CC(=NOC2CCCC2)C1(C)C 764907001 BEAQMJIZZDCHPP-ZDUSSCGKSA-N 239.359 3.525 30 20 BHED C#Cc1cccc(NC[C@H]2C[C@@H]2c2ccccc2)c1 766446504 NPEOLIWFOPHSQT-SJLPKXTDSA-N 247.341 3.884 30 20 BHED CON=C(C)c1cc(F)c(Cl)cc1Cl 767493175 XVEQVMVFCDICEL-UHFFFAOYSA-N 236.073 3.503 30 20 BHED CCCCCCCC(=O)N1CC[C@@H](C)[C@H]1CC 772870697 YVOTZVBVWIQYCQ-ZIAGYGMSSA-N 239.403 3.994 30 20 BHED CCCCCC(C)=NN[C@@H](C)C(C)(C)C 793114331 LDFOBFDRUDOUST-LBPRGKRZSA-N 212.381 3.967 30 20 BHED C#CCCCN1C[C@@H](C)CC[C@H]1c1ccccc1 796434461 LUGIKOPQAFQGKW-RDJZCZTQSA-N 241.378 3.873 30 20 BHED Cc1cccnc1NN=C1CCC[C@@H]1CCCF 800816513 MBUBAMNWOVUESL-GFCCVEGCSA-N 249.333 3.708 30 20 BHED C=CCCCCCCNC(=O)CC(C)(C)C 805219150 YTFUVXSLCMDVLM-UHFFFAOYSA-N 225.376 3.675 30 20 BHED C/C(C=NOC/C=C/Cl)=C/c1ccccc1 811668033 JXEPYENGWSKTDP-VHXJWXCTSA-N 235.714 3.845 30 20 BHED CC(C)(C)CC(=NOC/C=C/Cl)C1CC1 811672290 VQSWESHSMXZDNX-HPVPCPNESA-N 229.751 3.958 30 20 BHED CC[C@H]1CCC[C@@H](C=NOCCOC(C)C)C1 812240388 NWPBGULOTZBLNU-UONOGXRCSA-N 241.375 3.630 30 20 BHED CC(C)[C@@H]1CCCC1=NN[C@H](C)c1ccncc1 819816046 FVQRYPBHSNWNJY-OCCSQVGLSA-N 245.370 3.544 30 20 BHED C=C[C@](C)(CC)COC(=O)[C@@H]1C[C@H]1c1ccco1 860690805 GNZGFWZMAYFFAF-LALPHHSUSA-N 248.322 3.529 30 20 BHED CCCCCC[C@H](C)NC[C@@H](C)CCC#N 876905676 WNAAADVJAGCWRW-KBPBESRZSA-N 224.392 3.875 30 20 BHED CCCCNN=Cc1cc(Cl)cc(Cl)c1 917549054 VLXWQQBTGFLOKD-UHFFFAOYSA-N 245.153 3.717 30 20 BHED CCCCNN=C(C)CCc1cccc(C)c1 920374347 ZVHVBNBVFRXTMI-UHFFFAOYSA-N 232.371 3.693 30 20 BHED C=C(C)CCC(=O)N[C@H](CC)c1ccccc1 1262789451 IINWTQBNYLSFIO-CQSZACIVSA-N 231.339 3.610 30 20 BHED CC(CCc1ccccc1)=NOC(C)(C)C 1319582912 IQVQZFNNOINVDT-UHFFFAOYSA-N 219.328 3.810 30 20 BHED CC[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1 1642372097 SJFNTXFMHPPIAK-BYCMXARLSA-N 246.329 3.559 30 20 BHED Cc1ccccc1C(=O)/C=C/c1cccc(C#N)c1 14179011 UIEJIXVIRWCUCN-MDZDMXLPSA-N 247.297 3.763 30 20 BHED C=CCN[C@H](CC(C)C)c1ccccc1 19875891 FYTPGKXOSSHWNK-CQSZACIVSA-N 203.329 3.549 30 20 BHED N#Cc1cccc(CNC2CCCCCCC2)c1 19909958 GHNAZURSTMMTKA-UHFFFAOYSA-N 242.366 3.761 30 20 BHED C[C@@H](CCc1ccco1)Nc1cccc(C#N)c1 35451144 IAKBEZJMBYHPGA-LBPRGKRZSA-N 240.306 3.584 30 20 BHED Cc1ccsc1/C=C\C(=O)c1cccc(O)c1 41106837 PXPAFZBFANCDIA-WAYWQWQTSA-N 244.315 3.658 30 20 BHED C[C@@H](NCCCCC#N)c1ccc(Cl)s1 49578538 LOKVZGNTGPXACE-SECBINFHSA-N 242.775 3.746 30 20 BHED N#Cc1cccc(CSc2ccccc2O)c1 50046266 LTXFHLHKAHGPDI-UHFFFAOYSA-N 241.315 3.556 30 20 BHED Cc1ccc(C)c(Sc2cccc(C#N)n2)c1 81622259 COWFEEXHCURQGH-UHFFFAOYSA-N 240.331 3.721 30 20 BHED CC(C)(C#N)CCN1CCC[C@@H]1C1CCCC1 87595477 OJGOSEYGUQPPCQ-CQSZACIVSA-N 234.387 3.581 30 20 BHED CC(C)(CCC#N)CN1CCC[C@H]1C1CCC1 92781368 UULWQHABBRXWKU-AWEZNQCLSA-N 234.387 3.581 30 20 BHED Cc1nsc(NC[C@H]2CCCC[C@H]2C)c1C#N 92912437 FADNIZXINXXMNL-MWLCHTKSSA-N 249.383 3.561 30 20 BHED C=CCC[C@H](C)NCc1ccccc1Cl 96034248 YAOKHWZRKNOTIP-NSHDSACASA-N 223.747 3.784 30 20 BHED CCCCCCCCN(C)[C@@H](C)CC#N 102970710 PEUPAXLCKNZESF-ZDUSSCGKSA-N 210.365 3.581 30 20 BHED C=C(Cl)CN[C@@H]1CCc2c(Cl)cccc21 129757382 SABSDRUBCUFWEX-GFCCVEGCSA-N 242.149 3.669 30 20 BHED CCCCCCCC(=O)N[C@@H](C)C1CCC1 131152670 XFDRUEGENVOWBE-LBPRGKRZSA-N 225.376 3.652 30 20 BHED C=C(C)CN(CC)[C@@H](C)c1nc2ccccc2o1 180940057 STUXZWGPCQPQDS-LBPRGKRZSA-N 244.338 3.787 30 20 BHED C=C(C)C[C@H](C)C(=O)N[C@H](C)c1cc(C)oc1C 185298698 YSLZETICUDAXAF-CMPLNLGQSA-N 249.354 3.676 30 20 BHED CCCS[C@H](C)c1cccc(C#N)c1 190785673 MTFHQIWJUGEGJG-SNVBAGLBSA-N 205.326 3.762 30 20 BHED C#CCCCC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C 192137486 NWEWSWKPGDYNRY-KGLIPLIRSA-N 249.398 3.511 30 20 BHED C=C(C)CNc1cc(F)ccc1Br 229542984 XYECDPWIVWVGJU-UHFFFAOYSA-N 244.107 3.576 30 20 BHED CC(C)N(CCCCC(C)(C)C#N)CC1CC1 232626443 PADDBHMATDROHV-UHFFFAOYSA-N 236.403 3.827 30 20 BHED FC(F)(F)c1cccc(CON=C2CCC2)c1 265475385 QPTOVBLFXLPPMB-UHFFFAOYSA-N 243.228 3.762 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc(C)cc1F 292181015 IYZPMTOIOBYYPW-UHFFFAOYSA-N 235.302 3.675 30 20 BHED C=CCCCCN[C@H]1CS[C@H](C(C)(C)C)C1 309666323 HYJGATZWWDBAIK-OLZOCXBDSA-N 241.444 3.853 30 20 BHED C#C[C@H](C)N[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 311184248 BIUHYIXXYGEQCY-NXNVCVFFSA-N 241.378 3.570 30 20 BHED C[C@H]1CCC[C@H]1Nc1c(Cl)cccc1C#N 390528163 HPSAYIVJSDGRDZ-JOYOIKCWSA-N 234.730 3.812 30 20 BHED C=CCCC[C@H](C)NCc1ccc(C#N)c(F)c1 404087999 VINOJSOFOGDZTF-LBPRGKRZSA-N 246.329 3.532 30 20 BHED C[C@H](NCCCCC#N)[C@@H]1C[C@H]1c1cccs1 417300309 AKTKPDZCOKDOCK-RWMBFGLXSA-N 248.395 3.524 30 20 BHED Cc1c(Cl)cnc(N[C@@H]2CC[C@H](C)C2)c1C#N 444003659 OEAIZLXYGDIMQZ-WCBMZHEXSA-N 249.745 3.516 30 20 BHED C=C(C)CCN[C@H]1CCC[C@H](c2cccnc2)C1 449475168 KRRXJWIDFVZYCT-HOCLYGCPSA-N 244.382 3.664 30 20 BHED C=C(CC)CN[C@H](C)c1sc(CC)nc1C 453351111 IAVUQAOZOJPFQA-SNVBAGLBSA-N 238.400 3.631 30 20 BHED C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 480547719 AVGRHPUKQMUHKP-DVOMOZLQSA-N 249.398 3.674 30 20 BHED C=C1CCN(CCC2CCCCC2)CC1 483289932 OJVJLGPCGCLZHF-UHFFFAOYSA-N 207.361 3.609 30 20 BHED C=C(C)CCc1noc(/C=C/c2ccccc2)n1 508658338 AVQKLQRLSHTROV-PKNBQFBNSA-N 240.306 3.749 30 20 BHED C=CCCCCN[C@@H](C)c1ccncc1CC 517071921 IJLAPNSQIHOHEX-ZDUSSCGKSA-N 232.371 3.651 30 20 BHED C=CCCCSc1ccc(C#N)cc1 524230013 NLSZCMMNRAZCJN-UHFFFAOYSA-N 203.310 3.617 30 20 BHED C=CCN(CCCCCF)CCc1ccccc1 551382346 UNKJQTZDCBPJHF-UHFFFAOYSA-N 249.373 3.857 30 20 BHED N#C[C@@H]1CC[C@@H](N2CCCC3(CCCCC3)C2)C1 566574998 VGQBOKITPNIUGT-HUUCEWRRSA-N 246.398 3.725 30 20 BHED Cc1cccc([C@@H](C)CNC[C@H](C)CCC#N)c1 602554161 GIILBYNHRBWNIQ-CABCVRRESA-N 244.382 3.628 30 20 BHED C[C@H](CCC#N)CNCC(C)(C)C1CCCC1 602575754 JKHXCRKJBAZOJD-CYBMUJFWSA-N 236.403 3.732 30 20 BHED C[C@H]1CCCC1=NNc1nccc2sccc12 729142191 NQGQLKSGXYVLJQ-VIFPVBQESA-N 245.351 3.884 30 20 BHED Cc1ccc(C)c(NN=Cc2scnc2C)c1 743431697 ZRDMLAWXPFEDCF-UHFFFAOYSA-N 245.351 3.514 30 20 BHED C#CCCCCCC(=O)NCC1(CC(C)C)CC1 779928197 CXRMEBXGCNQBQG-UHFFFAOYSA-N 249.398 3.513 30 20 BHED CC[C@@H](C)NN=Cc1cccc(Cl)c1Cl 790182806 LHMJQTMVNQUUIH-MRVPVSSYSA-N 245.153 3.715 30 20 BHED Cc1cccnc1NN=C1CC[C@@H](C)[C@@H](C)C1 790185204 DKUHEJORKHUCMS-PWSUYJOCSA-N 231.343 3.614 30 20 BHED CC[C@@H](C)NN=C1CCC(C)(C)C[C@@H]1C 790191024 XPANBENAQHAPBI-WDEREUQCSA-N 210.365 3.577 30 20 BHED C#C[C@H](N[C@H]1CC[C@@H](c2ccccc2)C1)C(C)C 809685695 LSODJOISVVPROS-IKGGRYGDSA-N 241.378 3.570 30 20 BHED CC(=NOCCOC(C)C)[C@@H](C)c1ccccc1 812238196 VJBGPHWGJDLGSN-CYBMUJFWSA-N 249.354 3.608 30 20 BHED CC1=CC(=NOCC2CC2)CC(C)(C)C1 814243689 JMKAFYLGUDMQQP-UHFFFAOYSA-N 207.317 3.535 30 20 BHED C=CCCCCCCCN[C@@H]1CCOC1(C)C 815628164 SIUYURZMCNLVEE-CQSZACIVSA-N 239.403 3.670 30 20 BHED CC(CC(C)(C)C)=NNc1ccc(C(=O)O)cc1 834911965 IMYPYLHZSJIVLT-UHFFFAOYSA-N 248.326 3.609 30 20 BHED C=C(C)CCNC(=S)Nc1cccc(CC)c1 840791474 FVSXCUBRZICNKR-UHFFFAOYSA-N 248.395 3.502 30 20 BHED C=C(CC)C(=O)Nc1ccc(OC(C)C)cc1C 1520807311 SZJFZACXLYYNHV-UHFFFAOYSA-N 247.338 3.687 30 20 BHED CC(C)[C@H]1CN(C[C@H](C)CCC#N)[C@@H]1C(C)C 1621334424 MKIUCNPPNFOSET-RBSFLKMASA-N 236.403 3.539 30 20 BHED CCCCSCc1cccc(C#N)c1 35151660 AOMFMAHAJZNHNR-UHFFFAOYSA-N 205.326 3.592 30 20 BHED C=C(Cl)CNC(C)(C)CC(C)(C)C 43434746 HGPIRIZJPZARMH-UHFFFAOYSA-N 203.757 3.543 30 20 BHED C[C@H](Nc1ccc(CC#N)cc1)C1CCCC1 54079550 AEVIAZYMMLCWHC-LBPRGKRZSA-N 228.339 3.743 30 20 BHED C=C(Cl)COc1cccc2ccccc12 70238260 QCVHCFDJWWWDAH-UHFFFAOYSA-N 218.683 3.971 30 20 BHED C[C@@H]1CC(Nc2cccc(C#N)c2)C[C@@H](C)C1 84462322 RPPGAQKURNLGRP-RYUDHWBXSA-N 228.339 3.795 30 20 BHED C=C(CNCc1ccccc1C)c1ccccc1 110057697 QSSNKYLOIZCNKF-UHFFFAOYSA-N 237.346 3.798 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc(C)s1 161664424 WGDGEZXKHAWUDN-MWLCHTKSSA-N 209.358 3.672 30 20 BHED C=C(Cl)CN[C@H](CC)C[C@@H](C)CC 161753108 TXKREHPSWRSJAO-GXSJLCMTSA-N 203.757 3.543 30 20 BHED CCCCSCc1ccc(C#N)cc1C 165997494 AEJYSZYONSUFOP-UHFFFAOYSA-N 219.353 3.900 30 20 BHED C=CCCCC(=O)N1CCC[C@H](C)[C@@H]1CCC 176047243 FLRIUABTKRCMQC-KBPBESRZSA-N 237.387 3.770 30 20 BHED CCC(CC)CNc1ccccc1O[C@H](C)C#N 180838956 CZRKPNOGFRRNAU-GFCCVEGCSA-N 246.354 3.826 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)C1CCSCC1 187422438 RRTHDCYMKRQMHK-OLZOCXBDSA-N 241.444 3.853 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccccc1C 189752666 NOYRLYDCWRBESA-CQSZACIVSA-N 217.312 3.536 30 20 BHED CC[C@H](C)CSc1nc(C)cc(C)c1C#N 234042141 FGEFUWHFCFPJOQ-VIFPVBQESA-N 234.368 3.708 30 20 BHED C=CCC1(C(=O)N[C@@H]2C[C@@H](C)C[C@@H](C)C2)CCC1 248861167 AJWCUAQKZRAYDU-WDNDVIMCSA-N 249.398 3.674 30 20 BHED CC1(C)CCC[C@H]1Nc1ccc(Cl)c(C#N)n1 301564275 PNMVTQZOPWAHCD-LLVKDONJSA-N 249.745 3.597 30 20 BHED C=C(C)CN1C[C@@H](c2ccc(F)cc2)C[C@H]1C 303905150 TVFBMUXOTKEKPU-OCCSQVGLSA-N 233.330 3.580 30 20 BHED N#C[C@@H]1CC[C@@H](Nc2cccc(C(F)F)c2)C1 334389705 RZZOWPNTDHWQHY-BXKDBHETSA-N 236.265 3.728 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc(F)cc1C 378784422 JAMCMJGUMQIAPG-NEPJUHHUSA-N 221.319 3.749 30 20 BHED CCC[C@]1(C)CCCN([C@@H](C)CCC#N)C1 411294620 ILMPIYZATXHHCC-UONOGXRCSA-N 222.376 3.581 30 20 BHED Cc1ccc([C@@H](C)NCC(C)(C)CC#N)s1 414171485 UZJIPTBAHQXYIC-LLVKDONJSA-N 236.384 3.647 30 20 BHED C=CCN(CCC#N)Cc1c(C)cc(C)cc1C 428838452 HCZVHUNJBXVEFY-UHFFFAOYSA-N 242.366 3.514 30 20 BHED CC#CCCSCCCOc1ccccc1 462379096 IIIFAVPERPHPJI-UHFFFAOYSA-N 234.364 3.602 30 20 BHED C=CCCCC(=O)NCc1cccc(C(C)C)c1 475946239 OGVCFVGYHSMERN-UHFFFAOYSA-N 245.366 3.783 30 20 BHED C=CC[C@H](C)N[C@@H]1CC(C)(C)c2ccccc21 539071143 OCEYUQVPEJSQRF-SWLSCSKDSA-N 229.367 3.963 30 20 BHED C=CCC[C@H](Nc1cnn(CC(C)C)c1)C1CC1 540748612 SOVPMZLWWTXBSY-HNNXBMFYSA-N 247.386 3.696 30 20 BHED C[C@@H]1CCCC[C@@H]1CN(CC#N)C1CCCC1 541535073 NBYHYEBJDSAKEK-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED CCCCN(CC1(C#N)CC1)[C@H]1CCC[C@H](C)C1 550382893 VGVQMJFTCNAZOA-GJZGRUSLSA-N 248.414 3.971 30 20 BHED C=C[C@@](C)(CC)c1nc(-c2cc(C)oc2C)no1 574119998 JQPJBRBBCINJOA-AWEZNQCLSA-N 246.310 3.800 30 20 BHED N#CC1(CCN2CCC[C@@H]2C2CC2)CCCCC1 591013116 UOYIVUAWVYVOIC-OAHLLOKOSA-N 246.398 3.725 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cccc(OC)c1C 628698973 DCNUEZSHGHHOKF-UHFFFAOYSA-N 247.338 3.544 30 20 BHED C=CCCN[C@@H]1CCC[C@H]1c1ccc(F)cc1 682088178 OEQMBQAJYWELIB-LSDHHAIUSA-N 233.330 3.628 30 20 BHED CCCCCC[C@H](C)NN=C(C)c1cccnc1 743451009 WWOCETFOIJVJTB-ZDUSSCGKSA-N 247.386 3.754 30 20 BHED C=CCCCOC(=O)c1cc2cccc(F)c2o1 745282691 OXCILMFEWHYJQR-UHFFFAOYSA-N 248.253 3.695 30 20 BHED C#CCC(C)(C)C(=O)NCCCCCCCC 767096978 GDEKWKAMAIGYIA-UHFFFAOYSA-N 237.387 3.513 30 20 BHED CCO[C@H]1CC(=NOC2CCCCC2)C1(C)C 777458843 KDHFTTMMPPEAJS-ZDUSSCGKSA-N 239.359 3.527 30 20 BHED COc1ccc(NN=C(C)CCCC(C)C)nc1 780275425 WLTKVMMGLKQSHW-UHFFFAOYSA-N 249.358 3.704 30 20 BHED Fc1cc(NN=CC2CCCCCC2)ccn1 781130540 XFJJKJBBKHAYQK-UHFFFAOYSA-N 235.306 3.589 30 20 BHED CCC(CC)NN=Cc1cc(Cl)cs1 782233230 WHGFMZNQOBJOLH-UHFFFAOYSA-N 230.764 3.514 30 20 BHED Cc1cccc(C)c1/C=C\C(=O)c1cncs1 787171917 QTSCKZTXJHPCBN-SREVYHEPSA-N 243.331 3.656 30 20 BHED C#CC[C@H](NC1CC(C)(C)C1)c1ccccc1 788593492 SGUWYONTUPSPDG-HNNXBMFYSA-N 227.351 3.529 30 20 BHED CC[C@H](C)NN=C(C)[C@@H](C)c1ccccc1 790182117 BLLKRCARANHTBG-NWDGAFQWSA-N 218.344 3.554 30 20 BHED CC(C)CON=C1C[C@H](C)c2ccccc21 807979439 SPGCDMARISQDNG-NSHDSACASA-N 217.312 3.571 30 20 BHED CCCCCCCCNC(=O)[C@]1(C)CC1(F)F 817439173 JDDDEMCIRAVMHD-LBPRGKRZSA-N 247.329 3.508 30 20 BHED C#CCCCCCC=NOC1CCCC1 834968022 DJQCVIQZTRTCHB-UHFFFAOYSA-N 207.317 3.515 30 20 BHED CCC(C)(C)CC(=O)O[C@@H](C)CC(C)(C)C#N 851210219 SJSHTMSSULILBV-NSHDSACASA-N 239.359 3.684 30 20 BHED Cc1ccc(C=NNc2ccc(F)cc2F)cc1 916248240 UQXKYHOQSKOJRG-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C=C(C)C(C)(C)c1nnc(-c2ccccc2F)o1 1329278616 XDDQVPOAQJFFBN-UHFFFAOYSA-N 246.285 3.729 30 20 BHED C=C(Cl)CN1C[C@H](c2ccc(C)cc2)C[C@H]1C 1617609996 BKLDVEOSMFMPDN-UKRRQHHQSA-N 249.785 3.925 30 20 BHED CCCC[C@H](C)Nc1ccc(OCC#N)cc1 37228547 KRBYBFKOCZQCEL-LBPRGKRZSA-N 232.327 3.580 30 20 BHED CC[C@@H]1CCCN(c2ccc(C#N)cc2)CC1 79054117 GABRGDXTTAZEEO-CYBMUJFWSA-N 228.339 3.575 30 20 BHED C=CCCC(=O)NC(C)(C)c1ccc(CC)cc1 81702314 PENIBIJASWPFLJ-UHFFFAOYSA-N 245.366 3.567 30 20 BHED CC[C@H](C)[C@@H](C)Nc1ccc(F)cc1C#N 82516480 XJLGVKFFSQQCEN-VHSXEESVSA-N 220.291 3.544 30 20 BHED C=CCNc1ccc(Cl)c(Br)c1 87153043 ZQGJAENKJNSZBB-UHFFFAOYSA-N 246.535 3.700 30 20 BHED C=C(Cl)CN(CC1CC1)C1CCCCC1 112515026 NTOGRCPELCDAJU-UHFFFAOYSA-N 227.779 3.784 30 20 BHED C[C@@H]1CCC[C@@H](C)N(Cc2ccc(C#N)s2)C1 128196453 MIFVPRFMXQFTOC-VXGBXAGGSA-N 248.395 3.630 30 20 BHED C=CC[C@H](C)N[C@@H]1CCc2ccc(Cl)cc21 129622923 IYNIGZCKYPQGPK-IINYFYTJSA-N 235.758 3.882 30 20 BHED C=C[C@](C)(CC)C(=O)N1C[C@@H](C)c2ccccc21 190632352 NILFNTCLAGWEPC-MLGOLLRUSA-N 243.350 3.739 30 20 BHED C=CCC(C)(C)C(=O)Nc1cccc(SC)c1 196737436 QXRVVZGGQISYCO-UHFFFAOYSA-N 249.379 3.949 30 20 BHED N#Cc1ccc(Cl)cc1O[C@H]1C=CCCC1 228353278 DAMRAFOISUKLLW-LBPRGKRZSA-N 233.698 3.699 30 20 BHED CC[C@H](C)CSCCOc1cccc(C#N)c1 229046399 DLNSEZKVWPJQGC-LBPRGKRZSA-N 249.379 3.716 30 20 BHED CCCCCCCCN1CCC[C@@H]1C[C@H](C)O 252697680 ISORJEMXNGAITQ-LSDHHAIUSA-N 241.419 3.582 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccc2c(c1)COC2 281599009 MAUWLWVBKAVUND-LRDDRELGSA-N 245.366 3.722 30 20 BHED C=CC[C@H](C)[C@H](C)NCCCc1cccc(C)n1 287287481 DCOYBHDMFYDDIW-ZFWWWQNUSA-N 246.398 3.513 30 20 BHED C#CCCCCNC1CCC(C)(CC)CC1 310014341 KDWPAONTJSSPIC-UHFFFAOYSA-N 221.388 3.738 30 20 BHED C=C1CCN(Cc2cc(Cl)ccc2F)CC1 353306667 ISZCDXOBPONQFU-UHFFFAOYSA-N 239.721 3.631 30 20 BHED C=C(CC)CN(C1CC1)[C@H](C)c1ccco1 358637733 XAHDKWXCNBKSGN-GFCCVEGCSA-N 219.328 3.771 30 20 BHED C=CCCCC(=O)N1C[C@@H](C)Cc2ccccc21 360133848 UXADOCBWSXJWMG-ZDUSSCGKSA-N 243.350 3.568 30 20 BHED C=CC[C@H](CC)N[C@H]1CCc2ccccc21 393752536 SZPAICHDJWCBHG-ZFWWWQNUSA-N 215.340 3.618 30 20 BHED C=CCC[C@H](CC)Nc1ccc(F)c(OC)c1 437051267 QDJDSTBLMNODMB-NSHDSACASA-N 237.318 3.991 30 20 BHED CCSc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 442862073 ZJJLVIPHBLJVDN-AAEUAGOBSA-N 246.379 3.903 30 20 BHED CC[C@@H](NCCC=C(C)C)c1ccc(C#N)cc1 447601935 QVVXQKDZTHRGSG-MRXNPFEDSA-N 242.366 3.955 30 20 BHED C[C@@H](c1ccc(F)cc1)N(C)CC1(C#N)CCC1 450213123 DINBASZWUHSNEB-LBPRGKRZSA-N 246.329 3.512 30 20 BHED C=CCC1(C(=O)NC[C@@H]2C[C@H]2C(C)C)CCCC1 456314260 LRCRIAQRXDHMNI-KBPBESRZSA-N 249.398 3.531 30 20 BHED CC1(C)CCC(CN[C@@H]2CCC[C@@H](C#N)C2)CC1 463244296 GPDUEEXAZGSXSF-HUUCEWRRSA-N 248.414 3.875 30 20 BHED C=CCCCCNC(=O)[C@@H](C)C(CC)CC 471672229 TZZKZMULJYVILI-LBPRGKRZSA-N 225.376 3.531 30 20 BHED C=CCCC1(C(=O)N(CC)C[C@@H](C)CC)CC1 476232803 YFEANLKPOLUBNO-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED N#Cc1cccnc1/C=C/c1ccc(Cl)cc1 486106047 VDYLIPDROZCCKK-VMPITWQZSA-N 240.693 3.777 30 20 BHED Cc1c(C#N)c(C(C)(C)C)nc2ccc(C#N)cc12 520372965 GGTFOAYWHZCQCC-UHFFFAOYSA-N 249.317 3.584 30 20 BHED N#CC1(CSc2ccc(Cl)c(F)c2)CC1 593436752 JDJOPMOUMIDGMZ-UHFFFAOYSA-N 241.718 3.875 30 20 BHED C=CCCC(C)(C)NC(=O)c1ccc(F)cc1C 620857853 LQTPTZCJUQKHHA-UHFFFAOYSA-N 249.329 3.609 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1cnccc1C 678425577 BLGNRLXIXMTPMX-YUTCNCBUSA-N 232.371 3.641 30 20 BHED C=C(C)CCOC(=O)C[C@H]1CCc2ccccc21 744304382 TYWFQQXPZVHXMB-CQSZACIVSA-N 244.334 3.616 30 20 BHED Fc1ccc(Cl)cc1C=NNc1ccccc1 753692528 VVIVCZWUXXWYQB-UHFFFAOYSA-N 248.688 3.925 30 20 BHED CCCCCCCc1nc(C2CCC2)no1 761647034 DHHXYIXMMCTEID-UHFFFAOYSA-N 222.332 3.850 30 20 BHED C=CC[C@H](C)NC(=O)C(C)(C)C1CCCCC1 766811698 XVEWNVMIXBLLNF-LBPRGKRZSA-N 237.387 3.674 30 20 BHED C=CC[C@@H](N[C@H](C)CCC1CC1)c1ccncc1 769412725 GJDSIUIZKBKCPI-CZUORRHYSA-N 244.382 3.867 30 20 BHED Cc1ccc(/C=C/C(=O)c2occc2C)cc1F 769783183 ADEPDNLNXAZRAC-AATRIKPKSA-N 244.265 3.932 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C/C(=C\C)CC 775923104 JCOBCKMTPMOANE-ABPWCKGUSA-N 235.371 3.760 30 20 BHED Cc1cc(C)cc(/C=C/C(=O)c2cncs2)c1 776434622 YPIASJXMSSNVDE-ONEGZZNKSA-N 243.331 3.656 30 20 BHED Cc1cc2ccccc2nc1NN=C[C@H]1C[C@H]1C 776786475 WECZNFAUWSYZAI-ZWNOBZJWSA-N 239.322 3.597 30 20 BHED C=CC[C@H](C)C(C)=NOC1CCCCC1 777457520 VYRKHACYWVYFIG-NSHDSACASA-N 209.333 3.924 30 20 BHED CCON=C1CC[C@](C)(c2ccccc2)C1 780208754 AJJOLIBRHMNYFC-AWEZNQCLSA-N 217.312 3.521 30 20 BHED CC[C@@H]1C[C@H](C)CCC1=NOCCSC 794576927 KUMAGVWPNOLJQI-GHMZBOCLSA-N 229.389 3.568 30 20 BHED CCC(C[C@H](C)CC)=NNc1ncccc1F 794984221 JLIXRDIFKYXNSN-SNVBAGLBSA-N 237.322 3.835 30 20 BHED COc1ccc(NN=C[C@@H](C)CC(C)C)cc1 799111933 NISDSCHTDGQTOB-LBPRGKRZSA-N 234.343 3.775 30 20 BHED CCc1cccc(C)c1NN=CC1(SC)CC1 800817751 UGDPLRMPHCBZMV-UHFFFAOYSA-N 248.395 3.851 30 20 BHED CSc1ccc(C(C)=NOCCC2CC2)cc1 814245901 MWKYQHRJHMSCGA-UHFFFAOYSA-N 249.379 3.949 30 20 BHED CSCC(=NOCCC1CC1)c1ccccc1 814246263 GVHCFRQOSKGBRR-UHFFFAOYSA-N 249.379 3.570 30 20 BHED Clc1cccnc1NN=C1CC[C@H]1C1CCC1 814810635 DRHXPNAWRKFJHN-JTQLQIEISA-N 249.745 3.713 30 20 BHED C=C[C@H]1CCCCN1C[C@@]1(C)CC1(Cl)Cl 829312564 CLTXCMBJGQNGLT-WDEREUQCSA-N 248.197 3.611 30 20 BHED C=CC[C@H]1CCCCC1=NOCc1cccnc1 853323011 LRWJIYDKCFFGFN-AWEZNQCLSA-N 244.338 3.721 30 20 BHED C#CCCCSC[C@@H](CC)CC(F)F 853770788 PKILRDQHDLYFMV-JTQLQIEISA-N 220.328 3.814 30 20 BHED C=CCCCCC[C@H](C)NCc1conc1C 877563049 FQNBGJASPVDNIE-LBPRGKRZSA-N 236.359 3.598 30 20 BHED C=C1CC(c2noc([C@@]3(C)CC=CCC3)n2)C1 896877450 RPHKTUBRRFVYSU-AWEZNQCLSA-N 230.311 3.501 30 20 BHED C=C(Cl)CN[C@H]1CCCC[C@@H]1CCC 1193649736 WFJKXAJZZQSCLG-RYUDHWBXSA-N 215.768 3.687 30 20 BHED CCc1ccc(CCC=NOC(C)(C)C)cc1 1254746698 YKCPYCJZHXAGRP-UHFFFAOYSA-N 233.355 3.983 30 20 BHED CC(=NOC(C)(C)C)c1csc(C(C)C)n1 1320416110 SLAZXJKOKQXQRT-UHFFFAOYSA-N 240.372 3.806 30 20 BHED C=CCCc1nnc(C(C)(C)c2ccccc2)o1 1322514814 DKCGSOUTGFUTPF-UHFFFAOYSA-N 242.322 3.514 30 20 BHED C=C[C@H](COC)N[C@@H](C)c1cccc(C(C)C)c1 1328716051 GEOMMOSNFHHMCF-XJKSGUPXSA-N 247.382 3.662 30 20 BHED C=C[C@H](CC)CC(=O)N1CC[C@H]2CCCC[C@H]2C1 1334872956 OVTJVLPEPMNLMT-KFWWJZLASA-N 249.398 3.627 30 20 BHED C=CCC[C@@H](NC(=O)C(=C)CC)c1ccccc1 1521265681 FRYHDGBCRRNLIK-OAHLLOKOSA-N 243.350 3.776 30 20 BHED Cc1ccnc(S[C@@H](C#N)C2CCCCC2)c1 1652198797 UYDZRQAIXIKOGY-ZDUSSCGKSA-N 246.379 3.955 30 20 BHED C=CCCC(=O)N[C@@H](c1ccccc1)C1CCC1 104424460 RIROXDJKOZRYGP-INIZCTEOSA-N 243.350 3.610 30 20 BHED C=CC[C@@H](C)NCc1ccccc1C(F)(F)F 116927301 NWYNWHURBNZSJP-SNVBAGLBSA-N 243.272 3.760 30 20 BHED C=C(Cl)CN[C@@H](C)c1cc(C)c(F)c(C)c1 129772227 HIYPBMOIXJBENG-NSHDSACASA-N 241.737 3.846 30 20 BHED CC[C@@H](c1ccc(F)cc1)N1CCC(C#N)CC1 154501624 OSZFZGGWUHSGAI-HNNXBMFYSA-N 246.329 3.512 30 20 BHED C#CCCCNc1ccc(Cl)cc1Cl 161048092 XCXVUSHANXVFHE-UHFFFAOYSA-N 228.122 3.819 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc(OCC)cc1 163322022 OPCHNLYLTBAQEQ-STQMWFEESA-N 233.355 3.701 30 20 BHED C=CCC[C@H](NCC1(CC)CC1)C1CC1 181242392 LPUGJCHXCAGOGL-ZDUSSCGKSA-N 207.361 3.511 30 20 BHED C[C@H]1C[C@@H](C)C[C@H](Nc2ccc(CC#N)cc2)C1 252202368 WNJJZQNKTGCPJI-VIKVFOODSA-N 242.366 3.989 30 20 BHED C=C1CCN([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 267009379 GZOSSYGDKOYAKL-LBPRGKRZSA-N 248.370 3.685 30 20 BHED C=C(C)CCN[C@@H](c1ccccc1)C(F)F 292561951 BCTFSJBQLYZHBM-LBPRGKRZSA-N 225.282 3.549 30 20 BHED N#Cc1cccc(N[C@@H](c2ccccc2)C2CC2)n1 301566632 ZHKDCMGVFCMLRG-INIZCTEOSA-N 249.317 3.516 30 20 BHED C=C(Br)CS[C@H](C)C(C)C 306472664 FJJPVYWIYPTVBI-MRVPVSSYSA-N 223.179 3.673 30 20 BHED C=CCCCCC[C@@H](C)NC[C@@H](C)SC 380248705 OUOKBOFZGCBKRY-CHWSQXEVSA-N 229.433 3.853 30 20 BHED CC1(C)C[C@H]1CNc1c(Cl)cccc1C#N 381207994 GOYDLKHTNQXWGU-JTQLQIEISA-N 234.730 3.670 30 20 BHED C=CCN(CCC#N)Cc1ccc(Cl)cc1C 428838927 JDUXNFWMQTUUPH-UHFFFAOYSA-N 248.757 3.550 30 20 BHED C=CCN(CCC#N)CC[C@@H](C)c1ccccc1 430093865 HLRZKZFGMPTVDP-OAHLLOKOSA-N 242.366 3.582 30 20 BHED C=C[C@@H](C)NC(=O)[C@@H](CC)C1CCC(C)CC1 461014294 JREIJTRPWUXHSC-HHTDUIENSA-N 237.387 3.530 30 20 BHED C=CCCCCNC(=O)C[C@@H](C)c1ccccc1 471668671 SBPLROGUIACQAR-CQSZACIVSA-N 245.366 3.653 30 20 BHED C=C(C)CCc1noc(-c2ccccc2C)n1 508662854 OBXSLITWBQEEPB-UHFFFAOYSA-N 228.295 3.554 30 20 BHED C=CCCC[C@@H](C)NC(=O)C[C@H](C)c1ccco1 626370217 GHRVEQPSQVGXMM-QWHCGFSZSA-N 249.354 3.634 30 20 BHED C=CCCN[C@@H](C)c1ccc(Cl)cc1OC 658115419 VMWHQOMSTLKVRP-JTQLQIEISA-N 239.746 3.575 30 20 BHED C=CC[C@@H](C)NC(=O)Nc1ccc(C2CC2)cc1 678565604 AHBRXXOLHKXORN-LLVKDONJSA-N 244.338 3.650 30 20 BHED N#Cc1cccc(N[C@@H]2CCCC[C@H]2C2CC2)c1 696105876 RIXQGUMGPRUHED-JKSUJKDBSA-N 240.350 3.939 30 20 BHED C=C(C)COC(=O)[C@@H](CC)CC1CCCC1 734052279 FTQOMJFONOZZON-ZDUSSCGKSA-N 224.344 3.712 30 20 BHED CSc1ccc(C(C)=NOCC(C)C)cc1 749630887 CBUOFOIARSTIPB-UHFFFAOYSA-N 237.368 3.805 30 20 BHED C#CCCc1noc([C@@H](C)CCCCCC)n1 762015271 YPSDPKYRLQFELX-LBPRGKRZSA-N 234.343 3.709 30 20 BHED Fc1cccc(CON=C2CCC2)c1Cl 771659805 IYJSZWMIFIJOQT-UHFFFAOYSA-N 227.666 3.536 30 20 BHED C[C@H]1CCC[C@H](C=NOC2CCCC2)C1 774604528 YKVSPCSJKJKUAJ-RYUDHWBXSA-N 209.333 3.758 30 20 BHED C#CCN(CCC(=C)C)[C@@H]1CCc2ccccc21 775577221 LISDSGWOQMGKTL-QGZVFWFLSA-N 239.362 3.575 30 20 BHED CCCCCCCS(=O)(=O)CCCC(C)C 776744435 TYKQLRJYMJEUQG-UHFFFAOYSA-N 248.432 3.808 30 20 BHED C#CCCCCCC(=O)N1CCCC[C@@H]1C(C)C 779949764 IUYMMVHABJXYSC-OAHLLOKOSA-N 249.398 3.607 30 20 BHED CCCCNN=C1CC[C@](C)(c2ccccc2)C1 780212116 VUESIFDDQODBNL-INIZCTEOSA-N 244.382 3.874 30 20 BHED C=CCC1(C(=O)NC2CCCCCCC2)CCC1 790106716 VXOFHIKUSPNZOS-UHFFFAOYSA-N 249.398 3.962 30 20 BHED Clc1sccc1C=NOC1CCCC1 790171670 ZKMMMEKUHGZMPZ-UHFFFAOYSA-N 229.732 3.695 30 20 BHED Cc1ccc(NN=C2CCC[C@H]2CCF)cc1 794854552 HRTHKXLMJJEXBY-LBPRGKRZSA-N 234.318 3.923 30 20 BHED CC1(C)CCC(=NNc2ncccc2F)CC1 794988986 CDYULRDUUTVORE-UHFFFAOYSA-N 235.306 3.589 30 20 BHED C#Cc1ccc(CN(C)Cc2ccccc2C)cc1 809538167 IRJRZHIAMNUCHH-UHFFFAOYSA-N 249.357 3.608 30 20 BHED C[C@@H]1CC(C)(C)CC1=NOC/C=C\Cl 811668220 LWOORZDWUVTLKZ-BVGHTGDWSA-N 215.724 3.568 30 20 BHED CCc1cccc(C)c1NN=CCC(F)(F)F 817327561 LFUYEENIBQOBMF-UHFFFAOYSA-N 244.260 3.908 30 20 BHED CCCCCCCC(=O)NC1(C(C)C)CC1 818354653 DCEIMTDNDCNHNR-UHFFFAOYSA-N 225.376 3.652 30 20 BHED CCCc1ccccc1NC(=O)C#CC(C)(C)C 837337709 JJTAQUVSXQKDMG-UHFFFAOYSA-N 243.350 3.627 30 20 BHED CC(C)CCN(CC=C(Cl)Cl)CCC#N 851798637 SBLHKOACOIDKTH-UHFFFAOYSA-N 249.185 3.567 30 20 BHED CCC(CC)=NNc1ccc(C)c(F)c1 853438664 JGVKWSONYQCHNK-UHFFFAOYSA-N 208.280 3.722 30 20 BHED C=CC[C@@H](CC)NC(=O)OCc1ccccc1C 859147048 ZGDAHAIWVORICD-CQSZACIVSA-N 247.338 3.576 30 20 BHED CCCCCCCCCN(C)C(=O)[C@@H]1C[C@@H]1C 918397388 BNRYACNSAITGKO-UONOGXRCSA-N 239.403 3.851 30 20 BHED N#CC1(CCCCN[C@H]2CCC[C@@H]3C[C@H]23)CCC1 930703816 KKYPRKZLEOPCSY-ILXRZTDVSA-N 246.398 3.629 30 20 BHED C[C@@H](Nc1ccc(C#N)cn1)C1CCCCCC1 1307094567 ITKWGVZLUGNIIU-GFCCVEGCSA-N 243.354 3.724 30 20 BHED CC(C)(C)ON=Cc1cc(F)cc2cccnc12 1320326263 YHOAQIMGLRWHJP-UHFFFAOYSA-N 246.285 3.523 30 20 BHED Cc1cc(N[C@@H]2CCC[C@H](C)CC2)ncc1C#N 1655382615 KPEWUJZZRADXGI-SMDDNHRTSA-N 243.354 3.642 30 20 BHED Cc1ccnc(SCc2ccc(C#N)cc2)c1 1656864074 RLXJGRVGFBXMJW-UHFFFAOYSA-N 240.331 3.554 30 20 BHED CCCN(CC#N)[C@@H](C)c1cc2ccccc2o1 53643411 RRDPYIODDGAKLK-LBPRGKRZSA-N 242.322 3.729 30 20 BHED CCC1CCN(c2cc(Cl)ccc2C#N)CC1 62789961 PZBOUGQTORTJTM-UHFFFAOYSA-N 248.757 3.838 30 20 BHED C=CC[C@@H](C)NC(=O)c1ccc(C(C)C)cc1 116860025 ODBLCZNNVMKRCL-GFCCVEGCSA-N 231.339 3.504 30 20 BHED C[C@H](N[C@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 124976524 YTGRFKFJOYHXKC-WFASDCNBSA-N 242.366 3.788 30 20 BHED C=CCC[C@@H](C)Nc1ccc2c(c1)OC(C)(C)O2 130647474 TVZAUTVGOHMXJX-LLVKDONJSA-N 247.338 3.961 30 20 BHED C=CCC[C@H](Nc1ccc(F)cc1)C1CC1 134102884 JFTRPXFOQDHNBK-AWEZNQCLSA-N 219.303 3.982 30 20 BHED C=CCOc1ccccc1CN[C@H]1CC[C@@H](C)C1 135182515 DNYSVYCTXCAKFE-HIFRSBDPSA-N 245.366 3.530 30 20 BHED CC[C@H](C)C[C@H](C)NCc1ccc(C#N)s1 135502128 ZCVYWHZCHWZJLS-QWRGUYRKSA-N 236.384 3.534 30 20 BHED CC#CCCSCc1csc(C2CC2)n1 154982414 LCGDTNXANKUBES-UHFFFAOYSA-N 237.393 3.667 30 20 BHED C[C@H]1CN(CCCC(C)(C)C#N)c2ccccc21 174821204 TUORXXABKRXRQI-ZDUSSCGKSA-N 242.366 3.940 30 20 BHED C#CCCCCC(=O)N(CC)c1ccccc1C 179774720 CHCKCMUHFSXMKR-UHFFFAOYSA-N 243.350 3.542 30 20 BHED CC#CCCCC(=O)NC1CCC(C(C)C)CC1 185870585 ZUGSKJFINBBWTP-UHFFFAOYSA-N 249.398 3.511 30 20 BHED C=CCS[C@H](C)c1cccc(C#N)c1 190799508 PNCAILWUEBFZOE-SNVBAGLBSA-N 203.310 3.538 30 20 BHED C[C@@H]1CCCC[C@H]1CNc1cccc(C#N)c1 227613750 KJXXVMTUBRVIJS-OCCSQVGLSA-N 228.339 3.796 30 20 BHED C=C(C)CN(CC)C(=O)[C@H]1CC[C@H](CC)CC1 249259937 HJYVVUQSLWGEPI-HDJSIYSDSA-N 237.387 3.627 30 20 BHED Cc1cccc(C(=O)/C=C\c2cccnc2)c1C 255119265 VOHSYBAFCNZVCC-HJWRWDBZSA-N 237.302 3.595 30 20 BHED C=CCC(C)(C)CNc1ccc(Cl)cn1 308910108 FYNRFCHTFXKFBV-UHFFFAOYSA-N 224.735 3.749 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1cc(C)c(C)o1 310021653 NPSCFORUDMCJAF-AAEUAGOBSA-N 221.344 3.902 30 20 BHED CCCN(Cc1ccc(C#N)cc1C)CC(C)C 310788514 AQZMKHZDRRDZAC-UHFFFAOYSA-N 244.382 3.735 30 20 BHED C=C(C)CCNc1c(C)ccc([N+](=O)[O-])c1C 345308732 CIGGNMGKLHPWQB-UHFFFAOYSA-N 234.299 3.590 30 20 BHED C=C[C@H]1CCCCN1c1ccnc(C)c1Cl 355681172 JEVQIFICWDJJKS-NSHDSACASA-N 236.746 3.588 30 20 BHED C=CCS[C@@H](C)c1ccccc1OC 361375067 IHPAVYHXDTXPJN-JTQLQIEISA-N 208.326 3.675 30 20 BHED C=CCCCCCCCNCc1nccs1 381255790 QTAPTEYBPWJDAH-UHFFFAOYSA-N 238.400 3.759 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1cccc(O)c1 383984761 KNTZXVFSEZMMKN-LBPRGKRZSA-N 233.355 3.645 30 20 BHED C=CC[C@H](C)[C@@H](C)NCC(C)(C)c1cccnc1 414341502 VXCDZONESZYPSA-UONOGXRCSA-N 246.398 3.550 30 20 BHED C=CCCC(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C 416295722 UIZUWPBVNPIDKP-STQMWFEESA-N 237.387 3.626 30 20 BHED C=CCCCCN[C@H](C)c1ncccc1CC 471613259 IDJUXBOOQSKSNJ-CYBMUJFWSA-N 232.371 3.651 30 20 BHED C=CCN1CCC[C@H]1c1cc(C)ccc1C 474234794 SPWXPWWEIDWZSN-HNNXBMFYSA-N 215.340 3.626 30 20 BHED C=C(CC)CSc1cccc([N+](=O)[O-])c1 509089993 PTIVXCURUCMKIX-UHFFFAOYSA-N 223.297 3.653 30 20 BHED C=C(C)CCN(CC1CCC1)CC(F)(F)F 509391364 DWFSHVOOJNSFJN-UHFFFAOYSA-N 235.293 3.617 30 20 BHED C=CCCN1CCC[C@H](c2ccc(F)cc2)CC1 540890114 RCCJGMYKAGAWOP-AWEZNQCLSA-N 247.357 3.971 30 20 BHED C=CCCN1CC[C@@H](c2ccc(C)cc2C)C1 547771156 HOCLTZQBXNTMIS-OAHLLOKOSA-N 229.367 3.669 30 20 BHED C=CCC[C@H](CCC)N[C@H](C)c1ccnc(O)c1 550860494 KDYIJAOEVTTYBO-OCCSQVGLSA-N 248.370 3.573 30 20 BHED C=CCCCCSCc1ccc(F)cn1 575109390 MUHIGODMLXXLFW-UHFFFAOYSA-N 225.332 3.810 30 20 BHED N#Cc1ccc(S[C@@H]2CCCCCC2=O)cc1 592992405 UIJLKZAFGGAETL-CQSZACIVSA-N 245.347 3.552 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1cccc(C#N)c1 610829799 LZVFTDHZRGJQDB-MELADBBJSA-N 242.366 3.810 30 20 BHED C#CCN(C(=O)CC(C)(C)CC)C1CCCCC1 688781666 UXCKEJRKAOJZFC-UHFFFAOYSA-N 249.398 3.607 30 20 BHED Cc1c(Cl)cccc1Oc1cccc(C#N)n1 702652963 GWDWBIZFNJJFLR-UHFFFAOYSA-N 244.681 3.707 30 20 BHED C=CC[C@H](C)C(C)=NNc1ccc(C#N)cc1 727778483 JOOUKXGSWFLWFB-NSHDSACASA-N 227.311 3.558 30 20 BHED CC(C)(C=NOCc1ccccc1)CCC#N 755631857 KVUAKZIVUBJFNX-UHFFFAOYSA-N 230.311 3.519 30 20 BHED CC#CCCCC(=O)OCc1cc(C)ccc1C 767673702 BOMPRKYYPDHGFB-UHFFFAOYSA-N 244.334 3.540 30 20 BHED N#CC1(CSCc2ccc(CF)cc2)CC1 776907255 LBEJFOCWVCJLEA-UHFFFAOYSA-N 235.327 3.693 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 779776249 NQLHABRLNZWDCU-SOUVJXGZSA-N 249.398 3.511 30 20 BHED CC[C@@H](C)[C@H](C)C(=O)OCCCC(C)(C)C#N 784614374 QRIDMGLMOGSMJP-NEPJUHHUSA-N 239.359 3.542 30 20 BHED CC[C@@H]1CC[C@H](C)CC1=NOCC(F)(F)F 797401272 GSSQVALOEWFSLH-DTWKUNHWSA-N 237.265 3.768 30 20 BHED COc1ccccc1CON=C1CC2(CCC2)C1 799118092 WQZHCMZGEBSCMM-UHFFFAOYSA-N 245.322 3.532 30 20 BHED CC(=NNc1ccc(C)cc1)c1ccccc1C#N 814685845 PFRYAKHDTVIJMK-UHFFFAOYSA-N 249.317 3.703 30 20 BHED C[C@H]1C[C@H](C)CCC1=NN[C@H](C)c1ccncc1 819816623 MFBHYGUTZUJWJB-FRRDWIJNSA-N 245.370 3.544 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccc(C)c(C)c1O 834884431 ZHDXJOBFDHOSOA-CYBMUJFWSA-N 247.382 3.872 30 20 BHED CCC(=NNc1ccnc(F)c1)C1CCCC1 834973753 NTHWAEZIWDYLLM-UHFFFAOYSA-N 235.306 3.589 30 20 BHED C=C[C@@H](C)ON=CC[C@@H](C)c1ccccc1 844621514 IJTBOKMNGJQRHJ-CHWSQXEVSA-N 217.312 3.757 30 20 BHED CCC(=NNc1ccnc(Cl)c1)C1CCC1 853394836 AEHFYBIGWWKWEI-UHFFFAOYSA-N 237.734 3.713 30 20 BHED CC(CC1CCC1)=NNc1ccnc(Cl)c1 853395253 QKEMWJCTPWQBNX-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C=CCN(Cc1ccc2cc[nH]c2c1)C(C)C 862224367 PWGIUCUFUZUZFD-UHFFFAOYSA-N 228.339 3.564 30 20 BHED Cc1ccncc1-c1ccccc1C1(C#N)CC1 871888284 WYLVZPJMQHSEPW-UHFFFAOYSA-N 234.302 3.612 30 20 BHED CC(C)=NN=C1c2ccccc2-c2ccccc21 912806505 OOTRAJFIYQBTJT-UHFFFAOYSA-N 234.302 3.900 30 20 BHED CCCCCCC[C@@H](C)CNC(=O)C1CCC1 917872209 GXOBHROKSULPNV-CYBMUJFWSA-N 239.403 3.899 30 20 BHED C[C@@H](CC#N)N(C)Cc1cccc2ccccc12 58575451 ULMLPHUTODRBES-ZDUSSCGKSA-N 238.334 3.574 30 20 BHED C=C[C@H](C)NC(=O)C[C@@H](c1ccccc1)C(C)C 153915788 AKZJSFCDAHHHDZ-DZGCQCFKSA-N 245.366 3.507 30 20 BHED Cc1cc(F)ccc1/C=C/c1ccc(C#N)cn1 195175078 WFRFYMOWUAKTBX-QPJJXVBHSA-N 238.265 3.571 30 20 BHED Cc1ccc([C@H](C)NCC(C)(C)CCC#N)cc1 229690155 TXWBXFOZRFSJMP-AWEZNQCLSA-N 244.382 3.976 30 20 BHED CC1(C)CCC/C(=C\c2ccc(O)c(F)c2)C1=O 255830818 CWYJZLMPUFDCFY-DHZHZOJOSA-N 248.297 3.694 30 20 BHED C=CCC[C@H](C)Nc1ccc(F)c([C@H](C)O)c1 289774579 RJUCWHDEMISLPG-QWRGUYRKSA-N 237.318 3.646 30 20 BHED C=CCCCCCCNCc1ccc(C)cn1 310225809 OKXWHWYKDFRTQP-UHFFFAOYSA-N 232.371 3.616 30 20 BHED CC1(C)C[C@H](Sc2ccccc2C#N)CCO1 334809672 JCEGQBBZDFFYRZ-GFCCVEGCSA-N 247.363 3.608 30 20 BHED CCCCCCCCSCCOC 388283064 NUFYXGMZCLCZIQ-UHFFFAOYSA-N 204.379 3.727 30 20 BHED C=CCCNC(C)(C)c1cccc(Cl)c1F 390322857 ITQDCHNDWOUJJM-UHFFFAOYSA-N 241.737 3.880 30 20 BHED Cc1cc(CSCc2ccco2)ccc1C#N 447285458 AKCQUDCNZDUQKF-UHFFFAOYSA-N 243.331 3.893 30 20 BHED C=CCCCC(=O)NCC[C@H]1CCCC[C@H]1C 479616693 JWDPTVIEOIAEDK-ZIAGYGMSSA-N 237.387 3.675 30 20 BHED CCN(C[C@@H](C)C#N)C[C@@H]1CCCC(C)(C)C1 535787435 SIKSAUGNHKERRH-UONOGXRCSA-N 236.403 3.684 30 20 BHED C=CCC(C)(C)C(=O)NC(C1CCC1)C1CCC1 576179551 QFSXCAKQHFWWMU-UHFFFAOYSA-N 249.398 3.674 30 20 BHED C=C(C)CN1CCC[C@H]1C1CCCCC1 613479719 IUOONBIDTFKKGF-AWEZNQCLSA-N 207.361 3.607 30 20 BHED C=CC(C)(C)CNCc1cc2c(C)cccc2[nH]1 657481353 OADSGCNUQUETHJ-UHFFFAOYSA-N 242.366 3.778 30 20 BHED C=CCN(Cc1nc(C)c(C)s1)C(C)(C)C 661756934 YAIJCDWAYFIVCO-UHFFFAOYSA-N 238.400 3.546 30 20 BHED C[C@@H]1CC[C@H](/N=C/c2ccccc2O)[C@H](C)C1 733080810 BTYSRCATBVMWHQ-CUYRWBLWSA-N 231.339 3.636 30 20 BHED C[C@@H]1CC(C)(C)CCC1=NOCc1cccnc1 746576702 MNXBAVLFETYCHQ-GFCCVEGCSA-N 246.354 3.800 30 20 BHED C=C(Cl)CN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 753557144 WAFMFCDYTMTQFU-YPMHNXCESA-N 227.779 3.640 30 20 BHED CCCCCCCCNC(=O)CCC(C)(F)F 754850400 NBAQZGHDTRQHHF-UHFFFAOYSA-N 249.345 3.899 30 20 BHED C(/C=C\c1ccccc1)=NOC1CCCC1 774609131 SLNNPHHBTMSBSS-JYOAVDFLSA-N 215.296 3.645 30 20 BHED C=C(C)CN(C)C(=O)C=C(CCC)CCC 778126115 HJMFTCVCPRVDBN-UHFFFAOYSA-N 223.360 3.548 30 20 BHED C=CC[C@@H](C(=O)OCCC1CC1)c1ccccc1 778429657 YFTVBSYJVHJDBG-OAHLLOKOSA-N 244.334 3.690 30 20 BHED CC(C)=CCC[C@@H](C)CC=NN=c1cc[nH]cc1 779809914 UANJKGOPJBRVEU-CQSZACIVSA-N 245.370 3.674 30 20 BHED CCCc1ccc(NC(=O)CC(C)(C)C#N)cc1 781938029 YDZOTOBDPGAPPL-UHFFFAOYSA-N 244.338 3.517 30 20 BHED CC[C@H](C)CON=C(C)c1c(C)cc(C)cc1O 793145149 HSZKEVSSALHXSU-JTQLQIEISA-N 249.354 3.796 30 20 BHED C1CCC(ON=C2CCC[C@H]3C[C@@H]23)CC1 800816300 IKJFQNNCTVKUES-CMPLNLGQSA-N 207.317 3.512 30 20 BHED C=CCCCCCCCN[C@H]1CC[C@H](C#N)C1 810242771 HIOIBCBIMMDSPS-GJZGRUSLSA-N 234.387 3.795 30 20 BHED Cl/C=C\CON=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 811671297 CPEAQSSKTGQBBG-DMWVWRQCSA-N 239.746 3.568 30 20 BHED C[C@@H]1C[C@H]1c1ccc(C=NOCCC2CC2)o1 814246737 CUTLDUDYQWGEOT-ZWNOBZJWSA-N 233.311 3.554 30 20 BHED C=CCCCCC(C)=NNC1CCCC1 834954384 NAVDLOWLLLPBBR-UHFFFAOYSA-N 208.349 3.641 30 20 BHED C[C@H]1CCCCN1N=Cc1sccc1Cl 853382296 XEKWYJLNEBPODM-VIFPVBQESA-N 242.775 3.610 30 20 BHED C=CC(C)(C)CC(=O)Nc1c(C)cccc1F 889873866 ORBBJPHJCTWXOJ-UHFFFAOYSA-N 235.302 3.675 30 20 BHED C[C@H]1CCN(CCCCC2(C#N)CCC2)[C@H]1C 929785107 MJSGHLLAHFEDAR-KBPBESRZSA-N 234.387 3.581 30 20 BHED Cc1ccccc1N(C)Cc1ccc(C#N)s1 1174809318 QYCSTNCLVWKYCZ-UHFFFAOYSA-N 242.347 3.565 30 20 BHED C=C(C)CCC(=O)O[C@H](C)c1ccc(C#N)cc1 1342667744 MGKUBFKIITVCTH-GFCCVEGCSA-N 243.306 3.519 30 20 BHED C[C@@H]1CCCC[C@@H]1COc1ccccc1C#N 1472939149 QAKUZNLWLYHGAG-TZMCWYRMSA-N 229.323 3.763 30 20 BHED Cc1ccc(NCc2ccc(C#N)cc2)c(F)c1 20361383 SAPLBNNTIKBJLB-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CC[C@H](CC#N)N[C@@H](C)c1cccc(Cl)c1 38092340 IVPFDOYVXWLSCC-GXFFZTMASA-N 236.746 3.683 30 20 BHED C[C@@H](NCCCCC#N)c1ccccc1Cl 42224800 BZTKGHQZSAXUGC-LLVKDONJSA-N 236.746 3.684 30 20 BHED CC/C=C(/C)C(=O)Nc1ccc(Cl)c(C#N)c1 58072220 NHYCODCGFVALHX-WTKPLQERSA-N 248.713 3.506 30 20 BHED N#Cc1cccc(/C=C\c2nc3ccccc3o2)c1 96129695 NOQOTTGJSAAKDQ-HJWRWDBZSA-N 246.269 3.870 30 20 BHED C=C[C@@H](C)N[C@H]1C[C@H](C)Sc2sccc21 157239323 MEMDXQGCIQAXPL-YWVKMMECSA-N 239.409 3.838 30 20 BHED N#Cc1cccc(CSCC2CCC2)c1 173855940 WGKIOTCNUVVETN-UHFFFAOYSA-N 217.337 3.592 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H](C)C[C@H](C)CC 188460356 DWIXPMHJJKTMKQ-YRGRVCCFSA-N 225.376 3.530 30 20 BHED CC(C)=CCCN[C@@H](C)c1ccc(C#N)cc1 276599528 JWMSJVHGAPMLAK-ZDUSSCGKSA-N 228.339 3.565 30 20 BHED C=CCC[C@@H](CC)NCC(C)(C)c1ccccn1 294917855 YMWLPHCXOXWYFS-CQSZACIVSA-N 246.398 3.694 30 20 BHED C=CCC[C@@H](CC)N[C@@H]1CCC(F)(F)C1 309195433 QLDNTRXQYPTRME-GHMZBOCLSA-N 217.303 3.509 30 20 BHED Cc1cccnc1SCc1ccccc1C#N 344580938 ILICULORFBFBAI-UHFFFAOYSA-N 240.331 3.554 30 20 BHED CC(C)N(CC[C@H](C)F)Cc1ccc(C#N)cc1 351844594 LWXTWSHJLLDJDQ-ZDUSSCGKSA-N 248.345 3.517 30 20 BHED C=CCCC1(C(=O)NC2C[C@@H](C)C[C@H](C)C2)CC1 356178708 ZJUJKSQUPQDMLC-STQMWFEESA-N 249.398 3.674 30 20 BHED CC[C@H](C#N)S[C@@H](C)c1cccs1 379365861 QELJXQZSDNICKC-DTWKUNHWSA-N 211.355 3.844 30 20 BHED C=CC[C@H](CC)N[C@@H]1CC[C@@H](C)C[C@H]1C 379920417 HDSNCHSBNGUDCE-YIYPIFLZSA-N 209.377 3.755 30 20 BHED C=C(CC)CN[C@H](C)c1ccc(F)c(F)c1 390515496 CVQBNOHQEATWBT-SNVBAGLBSA-N 225.282 3.582 30 20 BHED C#CC[C@H](NCCCCC)c1ccccc1 393759344 ZDZKONOSYKVOTC-HNNXBMFYSA-N 215.340 3.531 30 20 BHED COc1ccc(SCC2(C#N)CCCC2)cc1 405161055 PADYFMXNMRYCCX-UHFFFAOYSA-N 247.363 3.871 30 20 BHED COCCCSCCC1(C#N)CCCCC1 419460510 ICWRHIYBMGDLNW-UHFFFAOYSA-N 241.400 3.620 30 20 BHED CC(C)(C#N)CCCN1CCCC2(CCCC2)C1 445842366 QMRJLSLGRNOWTQ-UHFFFAOYSA-N 248.414 3.973 30 20 BHED C=CCC[C@H](NC/C=C\CC)c1ccco1 453324694 QONZOTYUBZCASW-VGVVRCBHSA-N 219.328 3.843 30 20 BHED C=C(C)[C@H](NCCCC)c1ccc(F)c(F)c1 481576122 VYSYRWHOGYKWMU-AWEZNQCLSA-N 239.309 3.972 30 20 BHED CC[C@H]1CCCCN1Cc1ccc(C#N)c(C)c1 486814556 JCCWCOAOLAFVDU-INIZCTEOSA-N 242.366 3.631 30 20 BHED C=C[C@H]1CCCCN1Cc1ccccc1SC 489485972 HTGNMWAEBOLJAD-AWEZNQCLSA-N 247.407 3.949 30 20 BHED C=C(C)CN(C)Cc1cc2ccccc2s1 497227306 IEWPLCBMDYMZDB-UHFFFAOYSA-N 231.364 3.909 30 20 BHED C=CCCCCCN(C)C(=O)[C@@H](C)[C@H](C)CC 503118804 QDPGNLBVAFCWQJ-KGLIPLIRSA-N 239.403 3.873 30 20 BHED C=C(C)CCN(C)[C@@H](C)c1ccc(OC)cc1 509831642 GMQCVENGRRYHPN-ZDUSSCGKSA-N 233.355 3.654 30 20 BHED C=C(C)CN1C[C@H](C)C[C@@H]1c1ccccc1 513228380 JWFIFNJCKSRURN-UKRRQHHQSA-N 215.340 3.646 30 20 BHED CCC(CC)[C@H](C)C(=O)Nc1ccccc1C#N 535625413 BBKRVZKVFAVYDO-NSHDSACASA-N 244.338 3.569 30 20 BHED C=CCCC[C@@H](C)NC(=O)CC[C@@H](C)CC 552149912 OWEVXJBIEHESJO-QWHCGFSZSA-N 225.376 3.674 30 20 BHED C=C(C)CCSc1ccc2c(c1)OCCO2 560425367 BVAQOCQLGISEPI-UHFFFAOYSA-N 236.336 3.516 30 20 BHED CC(C)CS[C@@H](C#N)c1ccccc1 582192211 BMTMZECZYZNYTC-LBPRGKRZSA-N 205.326 3.640 30 20 BHED N#CCC1(CSCCCCCF)CC1 596360252 ITFYUOXFTJHFDZ-UHFFFAOYSA-N 215.337 3.553 30 20 BHED C[C@H](CCC#N)CN1CCC[C@H]1c1cccs1 602432030 HOJPCNUFKOSFOB-OLZOCXBDSA-N 248.395 3.825 30 20 BHED C[C@H](CCC#N)CN[C@@H](c1cccs1)C1CC1 602507594 OTNOBWGBTGQFKK-BXUZGUMPSA-N 248.395 3.729 30 20 BHED C=C1CCN(Cc2ccccc2C2CC2)CC1 678241186 CDELZQBCQNBSRW-UHFFFAOYSA-N 227.351 3.716 30 20 BHED C=CCOc1ccc(OC(=O)C(C)(C)CC)cc1 742860003 IFOPNZUCWTVSRC-UHFFFAOYSA-N 248.322 3.593 30 20 BHED C=C(Cl)CN(C)c1ccc(OC)c(Cl)c1 758141504 GBGXFLSREVKMTP-UHFFFAOYSA-N 246.137 3.537 30 20 BHED C#CCCc1noc([C@H](CC)CCCCC)n1 762017406 CRRYZRUSECHEPW-GFCCVEGCSA-N 234.343 3.709 30 20 BHED CCC(C)=NNc1ccccc1OC(F)(F)F 777453399 PAJIANHGJPWNFS-UHFFFAOYSA-N 246.232 3.783 30 20 BHED CC1(C)CCC[C@@H](C=NNc2ccnc(F)c2)C1 781132762 IRBSARSQMARSME-LLVKDONJSA-N 249.333 3.835 30 20 BHED CC(C)(C#N)CCCOC(=O)C=C1CCCCC1 783138760 RUIJWIRZTBTFNO-UHFFFAOYSA-N 249.354 3.750 30 20 BHED C=C[C@@](C)(CC)C(=O)Oc1cccc(Cl)c1 786609181 LYGRYFMDKNKZPE-ZDUSSCGKSA-N 238.714 3.848 30 20 BHED CC[C@H]1CCC[C@@H](C=NNc2ncccc2F)C1 794993741 PTBNCVPTIIBTOO-NWDGAFQWSA-N 249.333 3.835 30 20 BHED CCCCCCCCC(=O)N[C@@H]1C[C@H]1CC 798094943 LVNMAKFVFTZKMP-CHWSQXEVSA-N 225.376 3.652 30 20 BHED COc1cccc(NN=C[C@H]2CC[C@H](C)C2)c1 800809401 MQWRAVRAGMBYPO-RYUDHWBXSA-N 232.327 3.529 30 20 BHED C=CCCCCCCNC(=O)C[C@@H](C)C1CC1 805217698 IJJFYUIKSCAHBI-CYBMUJFWSA-N 237.387 3.675 30 20 BHED CC1(C)CCC[C@H](C=NOC/C=C\Cl)C1 811667855 FMEJDAZKAWWPOM-KFYZPHHZSA-N 229.751 3.958 30 20 BHED C=CCCCCCCCNC(=O)C(C)=C(C)C 813257218 VCITZTXFLQDKDM-UHFFFAOYSA-N 237.387 3.986 30 20 BHED C=CCCC(=O)N(c1ccc(CC)cc1)C(C)C 813259991 YAFIHWAJJGEQGK-UHFFFAOYSA-N 245.366 3.957 30 20 BHED C=CCCC(CCC)=NOC/C=C/Cl 814934227 PFRQBZQBGKKUHB-BTWWVKSVSA-N 215.724 3.878 30 20 BHED CCC[C@@H](CC)C(=O)Nc1cccc(CC#N)c1 823435565 SBEVRPOIXYKOSU-CYBMUJFWSA-N 244.338 3.517 30 20 BHED N#Cc1ccc(NN=C2CCCC23CCC3)cc1 834940460 GNGCSAWRXYORJJ-UHFFFAOYSA-N 239.322 3.680 30 20 BHED C=CCON=C(C)c1ccccc1C(F)(F)F 835015270 GVCORZGZYHFYFT-UHFFFAOYSA-N 243.228 3.632 30 20 BHED CCCCCCCCCNC(=N)NCC(C)C 849053273 SAFOQPMHIJDJOC-UHFFFAOYSA-N 241.423 3.507 30 20 BHED CCCON=C[C@H]1CCC[C@H](C(F)(F)F)C1 853368074 BCKIGRGUCJGOKW-UWVGGRQHSA-N 237.265 3.768 30 20 BHED CCCCC(C)=NNc1ccnc(Cl)c1 853394042 GIDRWTSTGGDCSR-UHFFFAOYSA-N 225.723 3.713 30 20 BHED C#CCCCCCCNCCCC(F)(F)F 877062659 BJXHAYFUASWZSY-UHFFFAOYSA-N 235.293 3.502 30 20 BHED CC[C@H](NC[C@H]1C=CCC1)c1cccc(C#N)c1 903087938 ODWHJRXAJAAVSQ-BBRMVZONSA-N 240.350 3.565 30 20 BHED C=C(CC)C(=O)N[C@H](c1ccccc1C)C1CC1 1346497117 ZEZVWRRUUIACNE-HNNXBMFYSA-N 243.350 3.529 30 20 BHED CC[C@H](C)CSCc1ccc(C#N)cc1OC 1643785754 ZTAFZFWBJNTJQT-NSHDSACASA-N 249.379 3.846 30 20 BHED CCC[C@H]1[C@H](C)CCCN1CC1(CC#N)CC1 1644842550 JIPZUDDPPVGGMT-KGLIPLIRSA-N 234.387 3.581 30 20 BHED CC(C)(C)CN(CCC#N)CCCC1CCC1 1653419491 OYFPGECKSRTVHG-UHFFFAOYSA-N 236.403 3.828 30 20 BHED CN(CC1CCCCC1)c1ccc(C#N)cc1 42249746 XEKSCEVXGGPNPJ-UHFFFAOYSA-N 228.339 3.575 30 20 BHED C[C@@H]1CCC[C@@H](Nc2cccc(C#N)c2)[C@@H]1C 85085098 PRFLKBDIDORONR-LALPHHSUSA-N 228.339 3.795 30 20 BHED CC(C)(C#N)CCN1CCC[C@H]1C1CCCC1 87595479 OJGOSEYGUQPPCQ-AWEZNQCLSA-N 234.387 3.581 30 20 BHED C#CCCCCN[C@@H]1CCc2cc(Cl)ccc21 90397799 QZRPDGNGDDNJHG-OAHLLOKOSA-N 247.769 3.720 30 20 BHED CC[C@H]1CCCN(Cc2cc(C#N)cs2)CC1 128851947 OPFVHHAYYXQRRC-LBPRGKRZSA-N 248.395 3.632 30 20 BHED N#Cc1cccc(SCc2ccc(F)cc2)c1 158719901 TYAHUSXAUQMEBY-UHFFFAOYSA-N 243.306 3.990 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cc(C)cc(C)c1 161639865 DLEXDGWZPGQDRC-UONOGXRCSA-N 217.356 3.919 30 20 BHED C[C@H]1CCC[C@@H](CNCc2cc(C#N)cs2)C1 177689778 SIWZREBZBRHLFI-NWDGAFQWSA-N 248.395 3.536 30 20 BHED N#CCN[C@@H](c1ccc(Cl)cc1)C1CCCC1 182535926 HUPAPTVBODQTOM-CQSZACIVSA-N 248.757 3.684 30 20 BHED CC(C)CCSCCOc1ccc(C#N)cc1 195539867 MEDZTMGRQIYCKW-UHFFFAOYSA-N 249.379 3.716 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cc(C)c(C)o1 282251621 QLXQJLGHBRPHRA-QWRGUYRKSA-N 207.317 3.512 30 20 BHED C=CC(C)(C)C(=O)Nc1cccc(SC)c1C 294930126 KDSGQSBXNQFSJL-UHFFFAOYSA-N 249.379 3.868 30 20 BHED N#C[C@H]1CC[C@H](Sc2cccc(F)c2)C1 296037799 PRDXVPSMIHYBCC-CABZTGNLSA-N 221.300 3.610 30 20 BHED C[C@@H]1CCC[C@H](Nc2ccc(Cl)c(C#N)n2)C1 301151200 AFFGNKHMDOVVIN-ZJUUUORDSA-N 249.745 3.597 30 20 BHED C=C(C)CN1CCC[C@H](C(C)(C)C)CC1 303630986 FSPVTCBFALCGKE-ZDUSSCGKSA-N 209.377 3.711 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCC(C)(C)C1 308846804 MNDFFTVDFWBANG-RWMBFGLXSA-N 209.377 3.755 30 20 BHED Cc1cc(COc2ccccc2C#N)cs1 309354387 YCMHLRJPJJAFNK-UHFFFAOYSA-N 229.304 3.507 30 20 BHED CC[C@H](N[C@H](C)c1ccc(C#N)cc1)[C@H]1C[C@@H]1C 322007656 IAYMBKGTQBQWAV-VZAMPYOESA-N 242.366 3.643 30 20 BHED C=CC(C)(C)CN[C@@H]1CCCc2ccc(O)cc21 385067468 VQQQGDCNXOZRCV-OAHLLOKOSA-N 245.366 3.571 30 20 BHED CCCCCCCN[C@@H]1CC[C@@H]1C1CC1 389994075 PQJVGIYRMGPJKR-ZIAGYGMSSA-N 209.377 3.735 30 20 BHED CC[C@H](Nc1ccc(CC#N)cc1)[C@@H]1CC1(C)C 397784978 OZOXDZNCPOPHNK-GJZGRUSLSA-N 242.366 3.989 30 20 BHED C=CCC[C@H](NCC(C)(C)CC#N)c1ccco1 414162153 GNRQUGVQBGCIOR-ZDUSSCGKSA-N 246.354 3.816 30 20 BHED C=C(C)C(C)(C)C(=O)NCC1CCC(C)CC1 424605776 IRETZBCRBBCZGM-UHFFFAOYSA-N 237.387 3.531 30 20 BHED C=CCN1CCCC[C@H]1c1ccc(F)cc1F 432008007 SSKWLLDAKFZLIN-AWEZNQCLSA-N 237.293 3.678 30 20 BHED CC[C@@H](NC1CCCCC1)c1ccc(C#N)cc1 447514060 ASKIFDXYVRYPMB-MRXNPFEDSA-N 242.366 3.932 30 20 BHED COc1ccccc1CS[C@H]1CC[C@H](C#N)C1 450841546 CMKDPSMLHYYQEF-AAEUAGOBSA-N 247.363 3.621 30 20 BHED C=CCC(C)(C)CNC(=O)C[C@@H](C)C(C)(C)C 489940423 HLSBXWSHAYTZTR-GFCCVEGCSA-N 239.403 3.777 30 20 BHED C=C(C)CN(CC)C(=O)CC1CCCCCC1 495197734 XCFIUZCWGHPPDJ-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C[C@H](CCC#N)Sc1c(F)cc(F)cc1F 519811433 RPYQFMPJCIKCCG-SSDOTTSWSA-N 245.269 3.888 30 20 BHED C=CCN(C(=O)C[C@@H](CC)CCCC)C1CC1 536823207 VHGLYEUKTSLKSA-ZDUSSCGKSA-N 237.387 3.770 30 20 BHED C=C(CC)CN(C)[C@@H](C)c1c(F)cccc1F 538002048 IHZIMZCEHQLURW-NSHDSACASA-N 239.309 3.924 30 20 BHED C=C(CC)CSCc1ccc(C#N)cc1OC 539094906 BYXBFCGMHWFDCD-UHFFFAOYSA-N 247.363 3.766 30 20 BHED CS[C@H](CNc1ccc(C#N)cc1)C(C)(C)C 543134162 NKIMYYHLBXCHFJ-CYBMUJFWSA-N 248.395 3.748 30 20 BHED C=CCC[C@@H](N[C@H]1CC=CCC1)c1ccco1 552061642 UGARJQVUWKFPEF-UONOGXRCSA-N 231.339 3.985 30 20 BHED C=CCOCCOc1ccc(Cl)c(Cl)c1 558807218 HMNFFKMYNOXIJJ-UHFFFAOYSA-N 247.121 3.575 30 20 BHED CC(C)N(CCC#N)Cc1ccccc1C1CC1 611259239 RBVBLDIATALXFY-UHFFFAOYSA-N 242.366 3.688 30 20 BHED C=CCN(C(=O)C[C@H](C)c1ccco1)C(C)(C)C 637408706 VANKRKREMXQBCC-LBPRGKRZSA-N 249.354 3.586 30 20 BHED CCCCCCCC(=O)N1C[C@@H](C)C[C@H]1C 740839592 MHNVBYWRGULCAN-QWHCGFSZSA-N 225.376 3.604 30 20 BHED CC(=NNc1ccc(C)cc1)c1ccsc1 749099321 NZWDHHPLSHGOSU-UHFFFAOYSA-N 230.336 3.893 30 20 BHED CC1=CC(=NO[C@@H]2CCCCO2)CC(C)(C)C1 755813785 ITBCBMQRCFPLID-CYBMUJFWSA-N 237.343 3.652 30 20 BHED CC(=NOCC(F)(F)F)c1ccc(C)c(C)c1 764836101 PRIBANSHCHFMFL-UHFFFAOYSA-N 245.244 3.606 30 20 BHED C#CCN(CC)[C@@H](C)CCSc1ccccc1 770171738 KNBJYTHWGLQORY-AWEZNQCLSA-N 247.407 3.512 30 20 BHED C=CCCCC[C@H](C)NCc1cc(C)ccc1O 773427215 FDRLNXNQGGYYTP-AWEZNQCLSA-N 247.382 3.925 30 20 BHED C1CCC(ON=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)C1 774597196 PGRHOQQKSOBLIV-ZZVYKPCYSA-N 233.355 3.758 30 20 BHED C=C(C)CSCc1ccc(CF)cc1 776893010 KIUMXYMGRXWWHP-UHFFFAOYSA-N 210.317 3.965 30 20 BHED CC(C)[C@@H](Cc1ccccc1)NN=C1CCCC1 777447779 JCLGZMWWBHPQLI-MRXNPFEDSA-N 244.382 3.773 30 20 BHED C[C@@H]1CC(C)(C)CC1=NN[C@H](C)C(C)(C)C 793112077 OSEIOPLDPZGBAY-GHMZBOCLSA-N 224.392 3.823 30 20 BHED C[C@@H]1C(=NOC/C=C\Cl)CCC[C@H]1C 811669722 SURKOADWKPLAPM-SKECHARQSA-N 215.724 3.568 30 20 BHED Cc1cc(Cl)ccc1NC(=O)C#CC(C)(C)C 837320055 PHVVNJNEYIPSJY-UHFFFAOYSA-N 249.741 3.636 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc(Cl)cc1O 841749996 RYURQZRGYNRGKQ-VHSXEESVSA-N 239.746 3.661 30 20 BHED Cc1cc(F)ncc1/C=C\C(=O)C1CCCCC1 899345420 LYYBUKMTZRJCMV-FPLPWBNLSA-N 247.313 3.692 30 20 BHED C[C@H]1C[C@H](C)N(CCCCC2(C#N)CCC2)C1 929698174 ZOLHIKHVKQKGJP-KBPBESRZSA-N 234.387 3.581 30 20 BHED C[C@@H]1CN([C@@H](C#N)c2ccccc2)CC(C)(C)C1 1645016176 VIHNPPSZGGRXTE-ZFWWWQNUSA-N 242.366 3.619 30 20 BHED C=C(C)CNc1ccc(F)c(C(F)(F)F)c1 49947258 FPULTWNPFSMVCL-UHFFFAOYSA-N 233.208 3.833 30 20 BHED CC(C)(C)c1ccc([C@H]2CCCN2CC#N)cc1 52042741 NAWGIQZEBOXGDC-OAHLLOKOSA-N 242.366 3.645 30 20 BHED C=C(C)CN1CCc2sccc2[C@H]1CC 53139828 FDNLLFXBPGJXJQ-GFCCVEGCSA-N 221.369 3.633 30 20 BHED Cc1ccc2c(c1)C(=O)/C(=C\c1ccsc1)C2 108145158 KNMWGIYNIRQXHV-QPEQYQDCSA-N 240.327 3.879 30 20 BHED C=CC[C@H](C)N[C@@H](c1ccccc1)C(F)(F)F 162726666 FEBHIXBVEJNLJI-JQWIXIFHSA-N 243.272 3.844 30 20 BHED C[C@@H]1CN(CC(C)(C)CCC#N)[C@H]2CCCC[C@H]12 180764548 XCJZUTNGRDUACF-KFWWJZLASA-N 248.414 3.827 30 20 BHED Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)c(F)c1 185732619 BWOXIGBTQWWLLY-RYUDHWBXSA-N 232.302 3.628 30 20 BHED C=CC[C@@H](C(=O)NCCCCC)c1ccccc1 189362862 YPDAAYDIIZSGNK-OAHLLOKOSA-N 245.366 3.653 30 20 BHED CN(CCCCC(C)(C)C#N)c1ccccc1 234273556 CWQLCGXALIORDN-UHFFFAOYSA-N 230.355 3.843 30 20 BHED C[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)CC1 246386802 NUZOXTMOOVVKDL-UONOGXRCSA-N 242.366 3.741 30 20 BHED CCCCC[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 248817765 LAXJGQFKSORZIW-BFHYXJOUSA-N 222.376 3.627 30 20 BHED C=CCCNc1ccc(C(=O)OCCCC)cc1 303943378 YXERAYCTIPSNQE-UHFFFAOYSA-N 247.338 3.632 30 20 BHED Cc1ccc(CNc2cc(C)cc(C#N)c2)cc1 308098079 AJXVVYLKURPHJS-UHFFFAOYSA-N 236.318 3.787 30 20 BHED CC(CCC(C)C)=NOC/C=C/Cl 308137058 GBOMPQJFWFHTTH-MPSJEACNSA-N 203.713 3.568 30 20 BHED C=CCC[C@H](CCC)N[C@@H]1CC[C@H](C)C1 309171539 LMPUMXNBIYMLBL-MELADBBJSA-N 209.377 3.900 30 20 BHED C=CCCCCN[C@@H](C)c1cc(F)cc(F)c1 310308718 SLLCSZVRRPSOBK-NSHDSACASA-N 239.309 3.972 30 20 BHED C=CC[C@@H](CC)NCc1cnc(C(C)C)s1 336728452 HEHUYJZVXDYVMH-LLVKDONJSA-N 238.400 3.711 30 20 BHED CN(Cc1cccc(C#N)c1)[C@@H]1CCC(C)(C)C1 347311627 PCMGAYRYUNEEGS-OAHLLOKOSA-N 242.366 3.569 30 20 BHED C=CCCCc1nc([C@@H](C)c2cccs2)no1 357015629 LKPXTSGRNRULQG-JTQLQIEISA-N 248.351 3.792 30 20 BHED C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[C@H]1C1CC1 412471405 HRBUFSZCISXFDR-OFQRWUPVSA-N 249.398 3.531 30 20 BHED C=C[C@@H](C)N[C@@H](C)Cc1coc2ccccc12 449195882 WQXDXOZPBYRPOY-NEPJUHHUSA-N 229.323 3.528 30 20 BHED C=CC[C@H](CC)NC(=O)C1(CC=C)CCCC1 451628045 ZNDRNNKNQXCAMZ-ZDUSSCGKSA-N 235.371 3.594 30 20 BHED CC[C@H](NC[C@@H]1C[C@H]1CC)c1ccc(C#N)cc1 453308736 NVZCGLOOCCUPFO-KBMXLJTQSA-N 242.366 3.645 30 20 BHED C=CCN(C[C@@H]1CCC2(CCCCC2)O1)C1CC1 467190267 FUDWXNRYTHJAOQ-HNNXBMFYSA-N 249.398 3.519 30 20 BHED C=C[C@H]1CCCCN1Cc1ccc(C)cc1 489479160 KZLBTEBNFABZIR-HNNXBMFYSA-N 215.340 3.536 30 20 BHED C=C(C)CNC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 490026430 NWFLPVTZCUCXCD-QWHCGFSZSA-N 237.387 3.531 30 20 BHED C=CC[C@@H](C)NC/C=C\c1ccc(F)c(F)c1 512037391 GSTZRQMKKCPXJX-VLWUPBBWSA-N 237.293 3.532 30 20 BHED C=CC[C@H](C)NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 512738301 CWVHAWHIFBFSRL-LJISPDSOSA-N 249.398 3.674 30 20 BHED C=C1CCN([C@@H](C)c2ccc(F)cc2F)CC1 518678233 MCIAEQJCALBSTM-NSHDSACASA-N 237.293 3.678 30 20 BHED N#CC1CCN(CCCC2CCCCC2)CC1 554855635 UXXGLBDGWXVNJD-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=CCCCN(CCOC)[C@@H](C)c1ccccc1 568321565 SXRYXWGGEDYGQF-HNNXBMFYSA-N 247.382 3.662 30 20 BHED C=CC[C@@H]1N(C(=O)C[C@@H]2C[C@@H]2C)CCCC1(C)C 574327803 NAIFLKXAKKIXFH-IHRRRGAJSA-N 249.398 3.626 30 20 BHED N#C[C@@H](SC1CCC1)c1ccccc1 580097517 PUQWSPOPIQLWOC-GFCCVEGCSA-N 203.310 3.537 30 20 BHED CCN(C[C@H](C)C#N)C[C@H](C)c1ccc(C)cc1 600113881 YGEWFPYHDDUSCY-CABCVRRESA-N 244.382 3.580 30 20 BHED CC[C@@H](Nc1cc(F)cc(C#N)c1)[C@@H]1CC1(C)C 718627688 QZWOIIBKCDEBIO-UONOGXRCSA-N 246.329 3.934 30 20 BHED Cc1ccc(N(CC#N)Cc2cccs2)cc1 727149164 XCNLYBRTINEVKI-UHFFFAOYSA-N 242.347 3.587 30 20 BHED CCC(=NOC1CCOCC1)C1CCCCC1 774450108 AMTBBFLVENLDBJ-UHFFFAOYSA-N 239.359 3.528 30 20 BHED C1CCC(ON=C2CC3(CCC3)C2)CC1 777456894 IFLMNAGAZMRURK-UHFFFAOYSA-N 207.317 3.656 30 20 BHED CCCCCC=NNc1cc(Cl)ccn1 777905886 BOJPAZJTHBJVIR-UHFFFAOYSA-N 225.723 3.713 30 20 BHED C[C@@H]1CCCC[C@@H]1C=NNCc1ccccc1 783813453 LRWYHTOCRQVTQL-UKRRQHHQSA-N 230.355 3.588 30 20 BHED C=C[C@](C)(CC)C(=O)O[C@@H](C)c1ccccc1 784878508 NIVCLPQOMLQVAK-SWLSCSKDSA-N 232.323 3.893 30 20 BHED C#CCCCCCC(=O)N[C@H]1CCCC(C)(C)C1 785597459 ILNTTXHEECRLHB-AWEZNQCLSA-N 249.398 3.655 30 20 BHED C#C[C@H](CCC)NC(=O)C[C@@H](C)C1CCCCC1 791202310 JHHHMXJCJOXMSA-UKRRQHHQSA-N 249.398 3.511 30 20 BHED Cc1ccc(OC(=O)CCCCCC#N)cc1F 805938209 DVIWCHVLIQDZBA-UHFFFAOYSA-N 249.285 3.514 30 20 BHED C[C@H]1CCC(=NNc2c(F)cccc2F)C1 814852717 LZJQDWITWZHKBV-QMMMGPOBSA-N 224.254 3.553 30 20 BHED C[C@H](NN=C1CCC(C)(C)CC1)c1ccncc1 819814769 FFVXAFSCAHYMJI-LBPRGKRZSA-N 245.370 3.688 30 20 BHED CCCCCCCNCc1cc2cnccc2o1 845919738 OLXFBNFAABAMKP-UHFFFAOYSA-N 246.354 3.888 30 20 BHED C#CCCCCN[C@H]1CCCC[C@@H]1CC=C 850444766 LKPZKIVVZIYVGK-GJZGRUSLSA-N 219.372 3.514 30 20 BHED C[C@@H]1CCCCN1N=C1CCC[C@@H]1C(C)(C)C#N 853381507 DYHCIMNOMKYSSS-OLZOCXBDSA-N 247.386 3.567 30 20 BHED C=CCCNC(=O)[C@](C)(CC)CCCCC 855383568 ZTFFIKUHZVDLQD-CQSZACIVSA-N 225.376 3.675 30 20 BHED C=CC[C@H](CC)NC(=O)/C=C(/C)c1cccs1 857209774 OALDQQQCLFWJHO-WEHUKYGOSA-N 249.379 3.622 30 20 BHED Cc1cc([C@@H](C)NCC(C)(C)C#N)cc(C)c1F 903100753 WYIBTKTWJQNAEO-GFCCVEGCSA-N 248.345 3.643 30 20 BHED CC[C@H](C)[C@H](C)NCCCCC1(C#N)CCC1 930225430 BQQGMGYEIVEDSH-KBPBESRZSA-N 236.403 3.875 30 20 BHED CC[C@H](N[C@H](C)CCC#N)c1ccc(F)cc1 1325511402 BXJVKCUCNJCMPG-RISCZKNCSA-N 234.318 3.559 30 20 BHED C=C(C)CN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 48043251 KXZJKFBUIYZOQX-DOMZBBRYSA-N 245.366 3.944 30 20 BHED CC(C)(C)[C@H]1CCCC[C@H]1NCCCCC#N 108367305 ASUCJPQVSSRFDM-UONOGXRCSA-N 236.403 3.875 30 20 BHED C=CCCCN(Cc1ccco1)Cc1ccco1 117871463 LJDZZBXXEHJRPX-UHFFFAOYSA-N 245.322 3.841 30 20 BHED C=CCSCc1ccc2ccccc2n1 129821664 PFTGXSHFRDBNQK-UHFFFAOYSA-N 215.321 3.654 30 20 BHED C=CCCCC(=O)N[C@@H](C)CCCC(C)C 175191369 NKVMKEUJFFPNGX-ZDUSSCGKSA-N 225.376 3.674 30 20 BHED CCCCCCCCC(=O)N(C)[C@H](C)CC 220177706 VHZVDZIEZGTYCZ-CYBMUJFWSA-N 227.392 3.994 30 20 BHED C=CCC[C@H](CCC)N[C@H](C)c1cnn(CC)c1 294961795 WQSNUTUEKMIXKS-HIFRSBDPSA-N 249.402 3.689 30 20 BHED CC(C)[C@@H](NCCC#N)c1ccc(Cl)cc1 298076168 DXRNCYIDKOJIRU-CYBMUJFWSA-N 236.746 3.540 30 20 BHED Cc1ccccc1[C@@H]1CCCN1CCCCC#N 299551451 KZNSBHWSEAHODK-INIZCTEOSA-N 242.366 3.826 30 20 BHED C[C@H]1CCCC[C@@H]1Nc1cccc(CC#N)c1 313421850 CKTXNNHVYVTFQZ-WFASDCNBSA-N 228.339 3.743 30 20 BHED N#CCCN1CCCCC[C@@H]1c1ccccc1 372621551 WAGRFENWJMBNDG-OAHLLOKOSA-N 228.339 3.517 30 20 BHED C=C(C)CCN[C@H](CC(F)(F)F)C(C)C 380218040 IQQNZPYXRJSTAN-SNVBAGLBSA-N 223.282 3.519 30 20 BHED CC[C@H](NCc1cccc(C#N)c1)C1CCCC1 387536233 LFXBEGUPAZEKHZ-INIZCTEOSA-N 242.366 3.617 30 20 BHED C=C(C)CCNc1ccc(F)cc1OCC 390633156 LLCJMEAPJRWBNY-UHFFFAOYSA-N 223.291 3.603 30 20 BHED C=C[C@H](C)NCc1ccc(C(F)(F)F)cc1C 442987795 DCUZSADFYFPDNO-JTQLQIEISA-N 243.272 3.678 30 20 BHED C=CCC[C@H](NCCOC(C)(C)CC)C1CC1 453418295 WCRYAPBKBMHYGX-AWEZNQCLSA-N 239.403 3.526 30 20 BHED CC(C)C[C@@H]1CCC[C@@H](NCCCCC#N)C1 474726797 HWOCTLPXPRLYGK-LSDHHAIUSA-N 236.403 3.875 30 20 BHED C=CCCCCCN1CCC[C@H]1c1cccn1C 488201932 NLTQMUUNHPIHAU-INIZCTEOSA-N 246.398 3.908 30 20 BHED Cc1ccccc1CCCSCC1(C#N)CC1 538416136 TUSZXKIWFKLTMZ-UHFFFAOYSA-N 245.391 3.965 30 20 BHED CCN(Cc1ccc(CC#N)cc1)[C@@H](C)C(C)C 544059574 BXTJEDBFHBAZSE-AWEZNQCLSA-N 244.382 3.619 30 20 BHED CC1(C)CC[C@@H](Sc2cc(C#N)ccn2)C1 563113224 ODYUAYKNODEKIJ-LLVKDONJSA-N 232.352 3.624 30 20 BHED C=CC[C@@H]1N(C(=O)C[C@@H]2C[C@H]2C)CCCC1(C)C 574327818 NAIFLKXAKKIXFH-RDBSUJKOSA-N 249.398 3.626 30 20 BHED C[C@H](Sc1ccccc1C#N)c1ccncc1 610340067 OLYFTTALJXNJNZ-NSHDSACASA-N 240.331 3.807 30 20 BHED C=CCN(C(=O)[C@H]1CCC[C@H]1CC)C(C)(C)C 622945713 PBGMJSDWXKKQDU-OLZOCXBDSA-N 237.387 3.626 30 20 BHED C=C(CC)CN[C@H]1CCc2c(F)cc(F)cc21 651473181 DIDGDMAXTALULY-AWEZNQCLSA-N 237.293 3.508 30 20 BHED C=CC[C@@H]1CC[C@@H](NC2CC(C(F)(F)F)C2)C1 651812281 SPZOOHCBDODDLE-QTAHKJALSA-N 247.304 3.662 30 20 BHED C=CCC[C@H](C)NCc1cccc2ncccc12 720473289 QWPIVKNUKZMEPF-ZDUSSCGKSA-N 240.350 3.679 30 20 BHED CC(=NNc1ccccc1)c1ccc(F)cc1C 731311622 FBDGEMPOFPXEIH-UHFFFAOYSA-N 242.297 3.970 30 20 BHED CCCCNN=C1CCC[C@H]1Cc1ccccc1 735613157 VBGHKRXPIMSPET-HNNXBMFYSA-N 244.382 3.775 30 20 BHED CCCCc1ccc(N(C)CCCC#N)cc1 752314842 BTHQYOHVMBQLHM-UHFFFAOYSA-N 230.355 3.769 30 20 BHED CC(C)(C)CC=NNc1ccc(F)cc1F 755463961 HSMSDZLRYMWWOL-UHFFFAOYSA-N 226.270 3.799 30 20 BHED C[C@H]1CCC[C@H](C=NNc2ccccc2)C1 768357082 HJCBAXMOYOAZLY-STQMWFEESA-N 216.328 3.911 30 20 BHED C#CCCCCCC(=O)N(C1CCCC1)C1CC1 779801663 VTBIEORFOZOCHX-UHFFFAOYSA-N 247.382 3.504 30 20 BHED CCCCCCCN[C@@H](CO)c1ccccc1C 782081239 JGGSOQVSVSXVBS-INIZCTEOSA-N 249.398 3.588 30 20 BHED FCC[C@@H]1CCCC1=NNc1ccccc1F 794886986 CPQYGQYLCMZLPI-JTQLQIEISA-N 238.281 3.753 30 20 BHED CC(C)C(C=NNc1ncccc1F)C(C)C 794980324 IVILXOXYFOVFPL-UHFFFAOYSA-N 237.322 3.547 30 20 BHED CC[C@H]1CC[C@@H](C)CC1=NNc1ncccc1F 794980733 NRSZZPGLMIPJBK-MNOVXSKESA-N 249.333 3.835 30 20 BHED CCC(C[C@H](C)CC)=NOC/C=C/Cl 811671215 CLAJCSBPPGLZJE-GEBDUOBZSA-N 217.740 3.958 30 20 BHED CCC(C[C@H](C)CC)=NOC/C=C\Cl 811671217 CLAJCSBPPGLZJE-UDXWTJRFSA-N 217.740 3.958 30 20 BHED CC(C)OCCON=C1CCC[C@@H](C(C)C)C1 812240677 XKFIFKXUFHRAAY-CYBMUJFWSA-N 241.375 3.630 30 20 BHED C[C@H]1CC(C)(C)CCC1=NOCC1CC1 814243681 JIXHJCDHVHZGRQ-JTQLQIEISA-N 209.333 3.615 30 20 BHED C(CC[C@@H]1C[C@H]2CC[C@H]1C2)=NOCC1CC1 814243923 UELXZRQDNLUQCR-MCIONIFRSA-N 221.344 3.615 30 20 BHED N#Cc1ccc(SCCC(F)(F)Cl)cc1 863293285 QEJVQKSTXFMGDZ-UHFFFAOYSA-N 247.697 3.872 30 20 BHED C=Cc1ccccc1NC(=O)N(CC)CC(=C)C 880215485 YPLVKQZPVLWNKG-UHFFFAOYSA-N 244.338 3.760 30 20 BHED Cc1cc(/C=C/C(=O)C2CCCCC2)cnc1F 899345018 DCBFCIFQRWJODZ-BQYQJAHWSA-N 247.313 3.692 30 20 BHED C#CCCN[C@H](c1ccc(CCC)cc1)C(C)C 920415736 GUWLVDLCUAQQFS-KRWDZBQOSA-N 243.394 3.949 30 20 BHED Cc1ccnc(S[C@H](C#N)C2CCCCC2)c1 1652198796 UYDZRQAIXIKOGY-CYBMUJFWSA-N 246.379 3.955 30 20 BHED C=C(Br)CNC(C)(C)CC(C)(C)C 43434744 CPAKSZLINOVPBQ-UHFFFAOYSA-N 248.208 3.699 30 20 BHED CC(C)C[C@H](C)CC(=O)Nc1ccccc1C#N 76708704 HKKNYXPFCOFEGG-LBPRGKRZSA-N 244.338 3.569 30 20 BHED C[C@H]1CC(Nc2cccc(C#N)c2)C[C@H](C)C1 84462323 RPPGAQKURNLGRP-VXGBXAGGSA-N 228.339 3.795 30 20 BHED C=CCC[C@@H](NCC1(C2CC2)CC1)C1CC1 90772819 CJCXVAPCOFKJTE-CQSZACIVSA-N 219.372 3.511 30 20 BHED Cc1ccc2c(c1)[C@H](Nc1ccc(C#N)cc1)CC2 113310374 PRAGZUBHTPXPJT-QGZVFWFLSA-N 248.329 3.966 30 20 BHED C#CCCCCC(=O)N(C1CC1)[C@@H](C)[C@H](C)CC 120109359 ITYJOTXQLYYZGC-KGLIPLIRSA-N 249.398 3.606 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1cscn1 133101032 KOOIHHFKHPQDNL-WDEREUQCSA-N 224.373 3.539 30 20 BHED N#Cc1cccc(-c2csc(CC3CC3)n2)c1 149277916 IBGGIIULUYRGTF-UHFFFAOYSA-N 240.331 3.634 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc(SC)cc1 157267891 QAMAUWTWRUQWDA-MNOVXSKESA-N 221.369 3.634 30 20 BHED C=CCCCC(=O)N1CCC[C@H]1C1CCCCC1 175366813 HYURTUWWOASYFU-HNNXBMFYSA-N 249.398 3.914 30 20 BHED C=CCC[C@H](C)NC1(c2cccc(F)c2)CC1 186321826 CXIBITXCJKVVKS-LBPRGKRZSA-N 233.330 3.759 30 20 BHED C=CCc1ccccc1OCc1cnc(C)s1 195167338 YYASXLGROCVXSK-UHFFFAOYSA-N 245.347 3.759 30 20 BHED CCc1ccccc1NN=C(C)c1ccco1 254292125 QMVQJYMMEFNPLD-UHFFFAOYSA-N 228.295 3.678 30 20 BHED Cc1ccoc1C(=O)/C=C\c1sccc1C 255068905 FFSVKNQBQPKQKO-ARJAWSKDSA-N 232.304 3.854 30 20 BHED C[C@@H](SCCC(C)(C)C#N)c1cccnc1 289438784 RYJNUJHRTDSACY-LLVKDONJSA-N 234.368 3.816 30 20 BHED Cc1ccccc1[C@@H](NCCC#N)C(C)(C)C 299082486 UFDCASSEWZTDQX-CQSZACIVSA-N 230.355 3.586 30 20 BHED Cc1cc(C#N)cc(NCc2cccc(F)c2)c1 308115754 XQBBXFBKGRUTJT-UHFFFAOYSA-N 240.281 3.618 30 20 BHED Cc1ccc(C)c([C@H](C)N(C)CCCC#N)c1 346297028 QYEFBXGKOWTBIP-AWEZNQCLSA-N 230.355 3.600 30 20 BHED C=CCCCC[C@H](C)NCc1cnccc1C 354587637 UHQDESWUXHZPKT-AWEZNQCLSA-N 232.371 3.615 30 20 BHED C=CCCCCCCNCC1(SC)CC1 379940890 YWYMCUCLOBADSL-UHFFFAOYSA-N 227.417 3.608 30 20 BHED C=C(C)CCN[C@@H]1CCC[C@@H](C(F)(F)F)C1 386738309 XNUPRXDJXFDTOE-GHMZBOCLSA-N 235.293 3.663 30 20 BHED C=CCN(CCC1(C#N)CCCCC1)C1CC1 411438212 BLPNITKGCVRHHS-UHFFFAOYSA-N 232.371 3.501 30 20 BHED CO[C@H](CSc1ccccc1C#N)CC(C)C 416918334 JBBDAUSFJKOEOE-ZDUSSCGKSA-N 249.379 3.711 30 20 BHED Cc1c(NCCC(C)(C)C#N)ccc(F)c1F 417077836 LUXULMHPHYUYAB-UHFFFAOYSA-N 238.281 3.625 30 20 BHED C=CCC[C@@H](CC)N[C@@H]1COCc2ccccc21 417355460 DJNDGUUCKMUPTN-GDBMZVCRSA-N 245.366 3.592 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccc(C)cc1C 424532951 YBFQAJBOVWPCGI-UHFFFAOYSA-N 231.339 3.844 30 20 BHED C=CCN(C)C[C@H](CCC)c1ccccc1 428372511 LNZXYXPRCRGTCT-HNNXBMFYSA-N 217.356 3.688 30 20 BHED Cc1cccc(CN2CCCC(C)(C)[C@H]2C#N)c1 444724985 LZHUWIMUVGCEFM-OAHLLOKOSA-N 242.366 3.509 30 20 BHED C=C(CC)CNC(=O)[C@@H](C)CCC(C)(C)C 456812635 NVQMLLVZWKNYFH-LBPRGKRZSA-N 225.376 3.531 30 20 BHED C=CCCCNC(C)(C)c1ccc(F)c(F)c1 537136347 ZTIGYCIXZJBLAP-UHFFFAOYSA-N 239.309 3.756 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCCc1ccc(F)cc1C 539602348 GBIAWAZKKOTOTD-TZMCWYRMSA-N 249.373 3.867 30 20 BHED C/C=C\c1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1 581030100 JJWOQKSAYHAAJT-ZOBWKPMTSA-N 226.323 3.824 30 20 BHED CC#CCCSc1ncc(-c2ccccc2)[nH]1 680882195 CPBYTAQHTBZCQF-UHFFFAOYSA-N 242.347 3.582 30 20 BHED CC(=NNc1cccc(C#N)c1)C1CCCC1 733076824 VCPHKARXAHPNKG-UHFFFAOYSA-N 227.311 3.536 30 20 BHED C=CCCCOC(=O)[C@H]1CCCc2ccccc21 735528962 XGJFHEXFFGHBLX-HNNXBMFYSA-N 244.334 3.616 30 20 BHED C=CCCCC(=O)O[C@@H](C)c1cccc(F)c1 748224484 BGMKFCDBGOIDKF-NSHDSACASA-N 236.286 3.786 30 20 BHED Cc1ccc(O)c(C(=O)/C=C\c2ccsc2)c1 757475428 KFEOYRNGHDDTFB-HYXAFXHYSA-N 244.315 3.658 30 20 BHED N#C[C@H]1CC[C@@H](NCC2CCCCCCC2)C1 769942022 GQVLDOANWRJKNG-LSDHHAIUSA-N 234.387 3.629 30 20 BHED C#CCCCCCC(=O)N(C)[C@@H]1CCC[C@H](C)C1 779809770 PQNGMQRDYQGZTE-LSDHHAIUSA-N 249.398 3.607 30 20 BHED C#CCCCCCC(=O)NCCC1CCCCC1 779832439 RMKPIZJYKMYPMT-UHFFFAOYSA-N 249.398 3.657 30 20 BHED CC(C)C[C@H](C)C=Nn1cnc2ccccc21 799106844 OTBWFPLZAVWTLU-LBPRGKRZSA-N 229.327 3.552 30 20 BHED CCCCCCCCN[C@@H](C)c1cc(C)on1 800492335 ILZUENYVWWEOPA-ZDUSSCGKSA-N 238.375 3.994 30 20 BHED CCCCCCCCCN(C)C(=O)N(C)CC 804962912 LEFRUJUMXVNMGZ-UHFFFAOYSA-N 242.407 3.741 30 20 BHED CCOc1ccc(NN=C[C@H]2CC=CCC2)cc1 814983741 OREWUVRNYOWCAZ-ZDUSSCGKSA-N 244.338 3.839 30 20 BHED CC1CCC(=NNc2ccc(Cl)cn2)CC1 853438167 QLNIANBMXKHRNL-UHFFFAOYSA-N 237.734 3.713 30 20 BHED CC(CC(C)(C)C)=NNc1cccc(C)n1 863160349 AKGLNLHHYSBEIY-UHFFFAOYSA-N 219.332 3.614 30 20 BHED Cc1cccc2c1[C@@H](C)C[C@H]2NCC(C)(C)C#N 903100742 WVKRCQREHPSZPO-GXTWGEPZSA-N 242.366 3.683 30 20 BHED CCOc1ccc(O)c(C=Nc2ccccc2)c1 920943545 MCQGHHKRSOKJOZ-UHFFFAOYSA-N 241.290 3.542 30 20 BHED C/C(C=NOC(C)(C)C)=C\c1ccccc1 1253788716 IWTLXPOOXRVFTG-HUAZBFQKSA-N 217.312 3.891 30 20 BHED C=CCC[C@H]1CCCN1C(=O)CC(C)(C)CC 1337550899 MADTZQQBCFMJGS-ZDUSSCGKSA-N 237.387 3.770 30 20 BHED C[C@@H](CCNc1ccc(C#N)cn1)CC(C)(C)C 1458318526 IJLZYOSNGIQHQI-LBPRGKRZSA-N 245.370 3.828 30 20 BHED C=C(Cl)CNC[C@@H]1CCCC(C)(C)C1 1474018578 VZDZXEFJXYYKDQ-LLVKDONJSA-N 215.768 3.545 30 20 BHED C[C@@H](CCC#N)CN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 1560714434 LAELXPSXRWGKFO-LZWOXQAQSA-N 248.414 3.827 30 20 BHED N#Cc1ccc(COc2cccc(Cl)c2)s1 1640678824 MPNXVGIPFUDSIB-UHFFFAOYSA-N 249.722 3.852 30 20 BHED C=C(Cl)CNCc1ccc(CCC)s1 1655690147 FVSQHKWTPGWBIH-UHFFFAOYSA-N 229.776 3.543 30 20 BHED CC(C)C[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 37255931 ORWCYBCINBIRAI-OLZOCXBDSA-N 230.355 3.643 30 20 BHED CCCC[C@H](CC)CN(CC)C[C@@H](C)C#N 43455092 IRWMTXRNDCRMOE-KBPBESRZSA-N 224.392 3.684 30 20 BHED CC[C@H]1CCC[C@@H](NCc2cc(C#N)cs2)C1 93492688 IOSZIDDEBFLJDO-WCQYABFASA-N 248.395 3.678 30 20 BHED Cc1ccccc1[C@H](C(C)C)N(C)CCCC#N 112357706 HEMLFCWLYIJGAS-INIZCTEOSA-N 244.382 3.928 30 20 BHED O=C(/C=C/c1cc(F)cc(F)c1)c1ccccc1 120628002 AWTCOZPMTWKEIJ-VOTSOKGWSA-N 244.240 3.861 30 20 BHED C=CCC[C@@H](CC)N[C@H]1CCc2c(O)cccc21 130562828 RDTYXGSMRZOLAI-DOMZBBRYSA-N 245.366 3.714 30 20 BHED C=CCCSCC(=O)Nc1cc(C)cc(C)c1 151969918 QTLOKMDCOSTROV-UHFFFAOYSA-N 249.379 3.551 30 20 BHED C#CCCCCNC(=O)[C@@H](CC)CC1CCCC1 156170886 YANVDMGCZLHDCT-HNNXBMFYSA-N 249.398 3.513 30 20 BHED C=C(Cl)CN[C@H](C)c1ccc(F)c(Cl)c1 161732523 AGHRWAIIBSWCAT-MRVPVSSYSA-N 248.128 3.882 30 20 BHED C=CC[C@@H](C)N[C@H]1CCCc2cc(OC)ccc21 163318899 UCAYZOJAMDLDEN-WBMJQRKESA-N 245.366 3.627 30 20 BHED Cc1cccc(N(C)Cc2ccc(C#N)s2)c1 182119460 ABCWZBQJEHRIGL-UHFFFAOYSA-N 242.347 3.565 30 20 BHED C=C(C)CCN[C@@H]1CCCC[C@@H]1SCC 309055735 UIYANOONCTZBSX-OLZOCXBDSA-N 227.417 3.607 30 20 BHED C=CCCCNC1(c2cccc(Cl)c2)CC1 309547531 CGUCRTLEUAGQGI-UHFFFAOYSA-N 235.758 3.885 30 20 BHED Cc1cc(/C(O)=N/[C@](C)(C#N)CC(C)C)c(C)o1 330765833 UGKSSBGVIMLDMS-AWEZNQCLSA-N 248.326 3.529 30 20 BHED COC1(CCSc2ccccc2C#N)CCC1 338550393 BDLNCYVQBOAHNJ-UHFFFAOYSA-N 247.363 3.610 30 20 BHED C=C(C)CCc1noc(/C=C/c2ccsc2)n1 351623483 QXJDBEPMBBTVKK-GQCTYLIASA-N 246.335 3.810 30 20 BHED C=CCN(Cc1ccccc1F)CC1CCC1 441213960 WNFYNQNWKNZVRF-UHFFFAOYSA-N 233.330 3.614 30 20 BHED C=CC[C@H](C)NC(=O)C1(CC=C)CCCCC1 449892666 ZUOQYCSNDCZZCF-ZDUSSCGKSA-N 235.371 3.594 30 20 BHED C=CCCCNc1ccccc1OCC(F)F 474437325 VMMCMORWHGATOS-UHFFFAOYSA-N 241.281 3.709 30 20 BHED C=CCCCCS[C@H](C)CCOC 563629316 YNQWFWTUPWLTSI-LLVKDONJSA-N 202.363 3.501 30 20 BHED C=CCC(C)(C)c1noc([C@@H]2C[C@H]2CCC)n1 576892195 JMNHGVVSUKVNQL-GHMZBOCLSA-N 234.343 3.827 30 20 BHED CC(C)(C)C#Cc1ccc2ccccc2n1 585143525 BGUKFKYWBZUWEE-UHFFFAOYSA-N 209.292 3.632 30 20 BHED CCCN(CCCCC#N)Cc1ccccc1F 608832572 BWRWUPWGTGYLIO-UHFFFAOYSA-N 248.345 3.732 30 20 BHED C=CCCC[C@@H](C)Nc1nc(C)cc(CC)n1 680962665 WXJHUXBFPSADOX-LLVKDONJSA-N 233.359 3.504 30 20 BHED Cc1cccc2c1CCC2=NNc1ccccc1 729140328 BSQVMWMKOOEWAM-UHFFFAOYSA-N 236.318 3.757 30 20 BHED C=CCC(=NNC1CCCC1)c1ccc(F)cc1 735614313 SZQVQCIBKFEWNJ-UHFFFAOYSA-N 246.329 3.638 30 20 BHED CCCCCCCCC(=O)N1C[C@H](C)C[C@H]1C 740839143 HXRGZDIUADIPDQ-ZIAGYGMSSA-N 239.403 3.994 30 20 BHED C=CCCCOC(=O)C1CCCCCCC1 745123114 ZASFMWZEAUPMLG-UHFFFAOYSA-N 224.344 3.856 30 20 BHED C[C@H]1CCC(=NOC2CCCC2)C[C@H]1C 767385791 MNYDBOVMPPTGHQ-WDEREUQCSA-N 209.333 3.758 30 20 BHED C(/C=C/c1ccco1)=NOC1CCCCC1 777456674 FKFKWRCFYFPSHB-DDBSFVRSSA-N 219.284 3.628 30 20 BHED COc1ccccc1C(C)=NOC1CCCCC1 777460695 ZYIUHIKXGABTEY-UHFFFAOYSA-N 247.338 3.769 30 20 BHED Cc1cc(CNc2cccc(C#N)c2C)c(C)o1 779599417 SMKSPAKHCGBWAX-UHFFFAOYSA-N 240.306 3.689 30 20 BHED CC/C(C)=C(\C)C(=O)Nc1cccc(C#N)c1C 779988807 JNMREMOLPVZCRZ-ZHACJKMWSA-N 242.322 3.552 30 20 BHED Cc1cccc(NN=Cc2cc3ccccc3[nH]2)c1 788408510 MALBYMYHPUBOEL-UHFFFAOYSA-N 249.317 3.922 30 20 BHED C#Cc1ccc(CN(C)[C@@H](C)C(C)(C)C)cc1 809547444 PZFFNFKMBQILJK-ZDUSSCGKSA-N 229.367 3.534 30 20 BHED Cl/C=C/CON=CC1CCCCCC1 811669160 WVMMHOGTXXGXTN-RTBKZALTSA-N 215.724 3.712 30 20 BHED CC(=NOCC1CC1)c1cc(C)sc1C 814244203 INESRLXAMVBZQR-UHFFFAOYSA-N 223.341 3.516 30 20 BHED C#Cc1ccc(NC2CCC(F)(F)CC2)cc1 898499958 WASSDGORWUOPPJ-UHFFFAOYSA-N 235.277 3.658 30 20 BHED CC(C)c1ccc(-c2cc(CCC#N)on2)cc1 901389788 IURPDQFQOFPYGY-UHFFFAOYSA-N 240.306 3.921 30 20 BHED CCC(C[C@H](C)CC)=NNc1nc(C)cc(C)n1 915932186 LTEQTQDWOMBEMJ-SNVBAGLBSA-N 248.374 3.708 30 20 BHED C[C@H](C/N=C\c1cc(Cl)ccc1O)C1CC1 920177291 FOKSQXBJCKYWIA-VMSYHEBLSA-N 237.730 3.511 30 20 BHED C=C[C@H](CC)CC(=O)N1CCC2(CCCCC2)C1 933551868 DFBXEXXDCPSPFC-CQSZACIVSA-N 249.398 3.772 30 20 BHED C[C@H]1CCCCN1N=Cc1cccc2ccoc12 1118590957 FCPVLHITFBYBLZ-LBPRGKRZSA-N 242.322 3.641 30 20 BHED C=CCCOC(=O)c1ccc2[nH]c(C)c(C)c2c1 48765711 BAUJOZRAMMUKPD-UHFFFAOYSA-N 243.306 3.518 30 20 BHED Cc1ccc(CSCCCC#N)cc1 58263033 AYNVOFIQOVUACC-UHFFFAOYSA-N 205.326 3.532 30 20 BHED CC(C)(C)[C@H]1CCN(c2cccc(F)c2C#N)C1 128445561 XLITZISWEWCTAK-NSHDSACASA-N 246.329 3.570 30 20 BHED C=CCCNc1cccc(C)c1Br 131662759 CSGCBGNLROXHSW-UHFFFAOYSA-N 240.144 3.746 30 20 BHED CN(Cc1ccccc1F)CC(C)(C)CCC#N 160732916 RTJZDXDQYAIXMD-UHFFFAOYSA-N 248.345 3.587 30 20 BHED CC(C)[C@H]1CCCCN1CCCC(C)(C)C#N 174867158 YWMBGXBGOPSAQR-CQSZACIVSA-N 236.403 3.827 30 20 BHED C=C[C@@H](CC(=O)NCC(C)(C)C)c1ccccc1 179091900 QTBYTBXZZKKYMQ-ZDUSSCGKSA-N 245.366 3.509 30 20 BHED CCOc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 185721628 GKUCLQJPDUTWNM-JSGCOSHPSA-N 244.338 3.580 30 20 BHED C=C[C@](C)(CC)c1nc(-c2ccsc2)no1 191159941 ZWEPBKJCQPYCIZ-GFCCVEGCSA-N 234.324 3.652 30 20 BHED C=CCSCCN[C@H](CC)c1ccc(C)cc1 221944389 BMHBABRKWFQSQW-OAHLLOKOSA-N 249.423 3.955 30 20 BHED C#CCCCCN[C@H](C)CCCC(F)(F)F 229563701 XONGWSRPFHRHAH-LLVKDONJSA-N 235.293 3.501 30 20 BHED C=CCCCCCCN[C@@H](C)c1cn(C)nc1C 286926873 FXIIBEYMZYQCTJ-ZDUSSCGKSA-N 249.402 3.516 30 20 BHED N#C[C@@H]1CC[C@@H](Sc2ccc(Cl)cn2)C1 287476239 IKMDWPPFCNYQFV-PSASIEDQSA-N 238.743 3.519 30 20 BHED C=CCN(Cc1cc2cc(F)ccc2o1)C1CC1 350216992 BFFSNQYWAXUCSX-UHFFFAOYSA-N 245.297 3.722 30 20 BHED C=CCCC1(C(=O)N2CC[C@@H](C)C[C@H](C)C2)CC1 356498241 PSARQILIJWSEES-KGLIPLIRSA-N 249.398 3.627 30 20 BHED CC(C)(CCC#N)CN[C@@H]1C[C@@H]1C1CCCCC1 363264524 ODFMARAMPAIQFX-HUUCEWRRSA-N 248.414 3.875 30 20 BHED C=CC[C@H](CC)NCc1cc(F)c(F)c(F)c1 393807581 RBHLUCIWJIFHAS-JTQLQIEISA-N 243.272 3.548 30 20 BHED C=CCC1(C(=O)N2CCC[C@@H](C)[C@H]2C)CCCC1 410515685 QFSOROFKCQMXFT-ZIAGYGMSSA-N 249.398 3.770 30 20 BHED CCCN(Cc1ccc(F)cc1)[C@H](C)CCC#N 411203339 QZODCTYIRXOINR-CYBMUJFWSA-N 248.345 3.730 30 20 BHED CC(C)[C@@H](SCCC#N)C(=O)c1ccccc1 413014928 RDRCHDSMKAUTON-CQSZACIVSA-N 247.363 3.541 30 20 BHED Cc1ccc2c(c1)[C@@H](NCC(C)(C)CC#N)CC2 414171748 VEEBQXZHKUZNNU-HNNXBMFYSA-N 242.366 3.512 30 20 BHED Cc1ccc2c(c1C)N(CCCCC#N)CCC2 452072237 UCVTVYSFFSMBLS-UHFFFAOYSA-N 242.366 3.750 30 20 BHED CC#CCCCC(=O)N[C@@H](CCC)C1CCCC1 458335492 JPOSAKSMSBYOPV-HNNXBMFYSA-N 249.398 3.655 30 20 BHED C[C@@H]1CCCC[C@H]1[C@@H](C)NCC(C)(C)CC#N 459738041 XHUKSIRWTWEAEM-MGPQQGTHSA-N 236.403 3.731 30 20 BHED C=CCCN(C)Cc1ccc(Cl)cc1C 467295198 KGRWQNSOHQWKLS-UHFFFAOYSA-N 223.747 3.656 30 20 BHED C=CCOCCCSc1ccc(F)cc1F 475952566 GZYOHJJFCOBNAH-UHFFFAOYSA-N 244.306 3.650 30 20 BHED C=CCC[C@H](CCC)NC[C@@H]1CCC[C@@H]1OC 538195784 RPUJHXNGUQIUAC-KKUMJFAQSA-N 239.403 3.526 30 20 BHED C[C@@H](NC1(C2CCC2)CC1)c1cccc(C#N)c1 593083256 WHVXEQVBMPRBAH-GFCCVEGCSA-N 240.350 3.542 30 20 BHED C=C(C)CCNC(=O)c1cccc(C(C)C)c1 615826620 LVEMJWGYPNEVFG-UHFFFAOYSA-N 231.339 3.506 30 20 BHED C=CCCC(C)(C)NC(=O)Nc1ccccc1C 664471393 QJSMGSVTSIZSJT-UHFFFAOYSA-N 246.354 3.861 30 20 BHED C[C@H](COc1ccccc1C#N)C(C)(C)C 711179493 HSBCIEUBPQHHNW-LLVKDONJSA-N 217.312 3.619 30 20 BHED C#C[C@H](CC)NC(=O)[C@H](CC)CC1CCCCC1 754389093 UPPMRKTVVYTZQY-HUUCEWRRSA-N 249.398 3.511 30 20 BHED Fc1cccc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)c1 762420339 ZIOREKHZUYDRTA-SDDRHHMPSA-N 232.302 3.660 30 20 BHED CC#CCCCC(=O)O[C@@H](C)c1ccc(F)cc1 767672367 RLFROSAAPJGRAT-LBPRGKRZSA-N 248.297 3.624 30 20 BHED C#CCCCCC(=O)O[C@@H](CC)c1ccccc1 773630166 QAGARVIQLNILOE-HNNXBMFYSA-N 244.334 3.875 30 20 BHED CC(=NNc1ccc(C#N)c(Cl)c1)C1CCC1 783878130 PNFUFZXYUCFAKQ-UHFFFAOYSA-N 247.729 3.800 30 20 BHED C1CCC(ON=C2CCC23CCC3)CC1 799885068 ACWMCUQRFOQZFE-UHFFFAOYSA-N 207.317 3.656 30 20 BHED N#CCCCCCC(=O)OCCC1CCCC1 805695556 ZQUMONCCOBGZFG-UHFFFAOYSA-N 237.343 3.584 30 20 BHED C[C@@H]1CCCC[C@H]1C=NOC/C=C/Cl 811671969 ZFBVVDBFPKABEN-PDJVJIQSSA-N 215.724 3.568 30 20 BHED CC(=NOC1CCC1)c1ccc(OC(C)C)cc1 812236927 AIJQNSRBNFJDND-UHFFFAOYSA-N 247.338 3.767 30 20 BHED CC[C@@H](C)CON=C[C@@H]1C[C@H]1c1ccccc1 814939118 FOZGMMXANKFVEN-SNPRPXQTSA-N 231.339 3.839 30 20 BHED CCCCCCCC(=O)N1C[C@H]2CCC[C@H]1C2 890320774 DGTIRZXPKCVLDP-KBPBESRZSA-N 237.387 3.748 30 20 BHED C=CCN(C(=O)/C(C)=C/CC)c1ccccc1 918563495 PVPJDEDCAPRFHC-UKTHLTGXSA-N 229.323 3.562 30 20 BHED CC[C@H](OC(=O)C(C#N)(CC)CC)[C@H](C)CC 1122976564 GVHIXGXVRPJTFK-NEPJUHHUSA-N 239.359 3.684 30 20 BHED N#Cc1ccc2c(c1)CCCN2CCCC1CC1 1194691426 IXQBPGVDHGIZIH-UHFFFAOYSA-N 240.350 3.501 30 20 BHED C=CC[C@H](C)Nc1nc2cccc(C)c2o1 1326491450 DWMJNXHNJDWZHF-JTQLQIEISA-N 216.284 3.513 30 20 BHED C=CCC1(c2nnc(C3CCC3)o2)CCCC1 1327053986 KIRBAANUJXFQPK-UHFFFAOYSA-N 232.327 3.725 30 20 BHED CCCC[C@@H](C)C(=O)O[C@@H](CC#N)c1ccco1 1345981826 LJYZXUFRBJVMOE-YPMHNXCESA-N 249.310 3.604 30 20 BHED C[C@@H](N[C@H]1CC[C@@H](C#N)C1)C1CCCCCC1 1473369836 ZDBMAFXHZOCDQY-NFAWXSAZSA-N 234.387 3.627 30 20 BHED C[C@H](CNCC1(C#N)CCC1)CC1CCCCC1 1657119241 YQEQBCBVLSXYIQ-AWEZNQCLSA-N 248.414 3.876 30 20 BHED C=C(C)CSc1nc2ccccc2s1 7063469 LXARVXHJBUFLCE-UHFFFAOYSA-N 221.350 3.965 30 20 BHED C#Cc1cccc(NC2CCC(C)CC2)c1 19876817 DEGFYLOHRDLKQN-UHFFFAOYSA-N 213.324 3.659 30 20 BHED C[C@H]1CCCC[C@H]1CNc1ccc(C#N)cc1 42804703 ZBPMRMRKRLWUQP-JSGCOSHPSA-N 228.339 3.796 30 20 BHED O=CCCCc1cc(Cl)ccc1Cl 83697291 OGSBEHJROHXBHC-UHFFFAOYSA-N 217.095 3.515 30 20 BHED CCCCCCC[C@@H](C)NC[C@@H]1CCCOC1 103108631 ROSJLKJOIXZVFL-CABCVRRESA-N 241.419 3.752 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cc(C)ccc1C 125235016 UQPRNZBNELJDMF-KGLIPLIRSA-N 217.356 3.919 30 20 BHED CCCCCCCCN[C@H]1CCCOCC1 126806406 DUWBBLGMZAVEJQ-AWEZNQCLSA-N 227.392 3.506 30 20 BHED CC(C)(C#N)CCN1CCCc2cc(F)ccc21 157643338 QQAXJKITNCHQTR-UHFFFAOYSA-N 246.329 3.518 30 20 BHED C=CCCN[C@@H](C)c1ccc(SC)cc1 162200688 BCGPKSXRHSGQDR-NSHDSACASA-N 221.369 3.635 30 20 BHED CCCC[C@H](CCC)NCc1ccc(C#N)o1 176991027 FYLPCLJPNRHRCF-LBPRGKRZSA-N 234.343 3.600 30 20 BHED C=C(C)CSCc1csc([C@H](C)OC)n1 177870430 HUPASGVYKUEQOG-VIFPVBQESA-N 243.397 3.660 30 20 BHED C#CCCCN[C@@H](C)c1ccccc1SCC 178055837 IMOHTYWCZDRRBX-ZDUSSCGKSA-N 247.407 3.863 30 20 BHED C=CC[C@@H](C)N[C@H]1CCCOc2cc(F)ccc21 182139389 ZAOPQZBQLQAPNI-RISCZKNCSA-N 249.329 3.594 30 20 BHED CCc1nc(C)ccc1OCCCC(C)(C)C#N 190773908 WJRYQDIWFHBJBZ-UHFFFAOYSA-N 246.354 3.661 30 20 BHED CC(C)N(Cc1ccc(C#N)s1)CC1CCC1 195078662 PWOVQGKLVWESOF-UHFFFAOYSA-N 248.395 3.630 30 20 BHED Cc1ccnc(NCC(C(C)C)C(C)C)c1C#N 229567329 RTQYGEMJRGQLDH-UHFFFAOYSA-N 245.370 3.602 30 20 BHED C[C@H]1[C@H](C)CCC[C@H]1NCC(C)(C)CCC#N 253033520 USCDIINTVDHXAL-HZSPNIEDSA-N 236.403 3.731 30 20 BHED O=C(/C=C\c1ccsc1)c1ccc(Cl)nc1 255413317 LQOKOAZOPFEMDV-IWQZZHSRSA-N 249.722 3.693 30 20 BHED C=CCCC[C@H](C)N[C@@H]1CC[C@H]1C1CC1 308876510 SJGATCXCOKRCFL-FPMFFAJLSA-N 207.361 3.509 30 20 BHED N#C[C@@H]1CCC[C@@H](Nc2ccc3ccoc3c2)C1 336574412 IILRCWMPRNGEAV-DGCLKSJQSA-N 240.306 3.927 30 20 BHED CC/C=C/CCOc1ccc(C#N)cc1OCC 362243386 YJLDNEICADWTDW-AATRIKPKSA-N 245.322 3.692 30 20 BHED C=C(C)CSCCOCC1CCCC1 419424254 SUHJWDHHNTWDBO-UHFFFAOYSA-N 214.374 3.503 30 20 BHED CCc1cccc(N(C)CCC(C)(C)C#N)c1 459584821 ABJPNXCGUHJTGM-UHFFFAOYSA-N 230.355 3.625 30 20 BHED C[C@@H](c1cccc(C#N)c1)N(C)CC(C)(C)C 490389097 DYFBHWFFYIXPTL-LBPRGKRZSA-N 230.355 3.597 30 20 BHED N#C[C@@H]1CC[C@@H](NCCCC2CCCCC2)C1 516348005 NETMKJAKZPZYLL-HUUCEWRRSA-N 234.387 3.629 30 20 BHED C=C[C@@](C)(CC)c1nc(CCC(C)C)no1 520456494 HOHQVXQHHVERGV-ZDUSSCGKSA-N 222.332 3.512 30 20 BHED C=CCCN(CC)[C@H](C)c1ccc(F)cc1 525329062 ZMGBFLXWUIBUGJ-GFCCVEGCSA-N 221.319 3.785 30 20 BHED CC(C)(C#N)CCN1CCC=Cc2ccccc21 527214482 BYPJQZYFZXMYKI-UHFFFAOYSA-N 240.350 3.850 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCCCC(C)(C)COC 558257593 MRJCBRTYJIIOGT-ZIAGYGMSSA-N 241.419 3.630 30 20 BHED CC1(C)CC[C@H](Sc2cccnc2C#N)C1 565217470 SKGUZNXYFDUJPJ-JTQLQIEISA-N 232.352 3.624 30 20 BHED CC[C@@H](C)CS[C@@H](C#N)Cc1ccccc1 610684823 IWJMYCFKAAKJHD-TZMCWYRMSA-N 233.380 3.901 30 20 BHED CCN(Cc1ccccc1C1CC1)C[C@@H](C)C#N 611261114 SCDVECQVCCGTHS-ZDUSSCGKSA-N 242.366 3.546 30 20 BHED Cc1cc(F)ccc1NN=CC1CCCC1 750946570 UMLDFMUABKVHQV-UHFFFAOYSA-N 220.291 3.722 30 20 BHED CC(C)c1nc(C(=O)/C=C\c2ccccc2)co1 752886061 USLZEFORXYZSHP-HJWRWDBZSA-N 241.290 3.694 30 20 BHED CC(C)(C)CC=NNCc1cccc(Cl)c1 755771084 SEWRRYBIJPYFSM-UHFFFAOYSA-N 238.762 3.852 30 20 BHED CC(=NO[C@@H]1CCCCO1)c1ccc(C)c(C)c1 755818210 PYICLCJGZUPDKK-OAHLLOKOSA-N 247.338 3.571 30 20 BHED C=CCC(CC=C)C(=O)Oc1c(C)cccc1C 759039277 KFOBFRYSEVAKSH-UHFFFAOYSA-N 244.334 3.977 30 20 BHED CC(=NN[C@H]1CCCC1(C)C)c1ccsc1 782299849 JKZUHYKXYRRDPJ-LBPRGKRZSA-N 236.384 3.640 30 20 BHED CC[C@H](C)NN=C1CCC(C)(CC)CC1 790190981 XBQNSKITLUTKTA-AMGKYWFPSA-N 210.365 3.721 30 20 BHED CC[C@@H](C)CON=C1CCC[C@@H]1c1ccccn1 793159064 KTNATEIYAXBTMR-CHWSQXEVSA-N 246.354 3.768 30 20 BHED C=C(C)COC(=O)[C@H](c1ccccc1)[C@@H](C)CC 794004175 NAQXSDRXVNFKFD-ZFWWWQNUSA-N 246.350 3.936 30 20 BHED CSCCON=C1C[C@H](C)c2c(C)cccc21 794574054 RVMLMUKAFBFSRV-NSHDSACASA-N 249.379 3.586 30 20 BHED C/C(C=NOC1CCC1)=C/c1ccccc1 812236685 SBSITKTULOZRAL-JSCHWNROSA-N 215.296 3.645 30 20 BHED C[C@@H](C=NOC1CCC1)c1cc(F)cc(F)c1 834978404 FTUQQMNQYKKJPE-VIFPVBQESA-N 239.265 3.623 30 20 BHED Cc1ccc2ncc(CON=C3CCC3)cc2c1 842030877 LQKOGUMIUUFHMS-UHFFFAOYSA-N 240.306 3.600 30 20 BHED C[C@@H]1CCCCN1N=C1CCC[C@@H]1CCCF 853382360 YMTLADAMLBPGKS-CHWSQXEVSA-N 240.366 3.767 30 20 BHED C=CCC(C)(C)CN[C@H](c1ccccn1)C1CC1 903174711 MXHIUPZKENALPP-HNNXBMFYSA-N 244.382 3.725 30 20 BHED Fc1ccc(C=NNc2ccc(Cl)cc2)cc1 916246718 JPBOHZDGGAEHBR-UHFFFAOYSA-N 248.688 3.925 30 20 BHED C=C(CC)C(=O)N1CCCC[C@H]1c1ccccc1 1123687364 JAPGULDYXPLGIG-HNNXBMFYSA-N 243.350 3.706 30 20 BHED C=CCC1(C(=O)N2CC(C)(C)C2(C)C)CCCC1 1261260362 KWCQKKNBNSTZJR-UHFFFAOYSA-N 249.398 3.770 30 20 BHED CC(C)[C@@H](C#N)C=NNc1ccc(Cl)cc1 1319612679 LKCGQLMYPDQEJB-JTQLQIEISA-N 235.718 3.533 30 20 BHED C#Cc1cccc(N[C@H]2CCc3ccccc3C2)c1 37185203 XTKJYQNNPMRVFK-SFHVURJKSA-N 247.341 3.637 30 20 BHED C#CC(C)(C)NC(=O)C1CCC(CCCC)CC1 70118237 PCBHCMBSPFZNRE-UHFFFAOYSA-N 249.398 3.511 30 20 BHED C#CCCCOc1ccccc1C(C)C 75421175 XNTDXHZSQBLQCY-UHFFFAOYSA-N 202.297 3.602 30 20 BHED C#Cc1cccc(NCc2cc(Cl)cs2)c1 86331972 NKLXIMLGIIMPBE-UHFFFAOYSA-N 247.750 3.995 30 20 BHED C=CC[C@H](C)NC(=O)C[C@H](CC)CCCC 117261900 VFMVZJZZSFVCSA-QWHCGFSZSA-N 225.376 3.674 30 20 BHED C=CCCCSc1nncc2ccccc12 117550779 RZEDIVFKJZSDAD-UHFFFAOYSA-N 230.336 3.688 30 20 BHED C=CCCCN(C1CC1)[C@H](C)c1ccco1 119131684 YYJZGIYCBBEBJI-GFCCVEGCSA-N 219.328 3.771 30 20 BHED Cc1ccc(C)c(C(=O)/C=C/c2cncs2)c1 129943210 RUXOUESBLNETCM-AATRIKPKSA-N 243.331 3.656 30 20 BHED C#Cc1cccc(NCc2cc(F)ccc2C)c1 130429984 DNFLQMFGCRWUGJ-UHFFFAOYSA-N 239.293 3.728 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1nccs1 133094300 CWFULXSSIRIUFT-MNOVXSKESA-N 224.373 3.539 30 20 BHED CCCCCCCCC(=O)N(C)c1ccccn1 134541353 LNQLIHMHXDNBBS-UHFFFAOYSA-N 248.370 3.795 30 20 BHED CC[C@H](NCc1cc(C#N)cs1)C(C)(C)C 165161216 QJGPYWFEBDFDKP-LBPRGKRZSA-N 236.384 3.534 30 20 BHED CCOc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 185721658 GKUCLQJPDUTWNM-OCCSQVGLSA-N 244.338 3.580 30 20 BHED C#CCCCC(=O)N(CCCC)c1ccccc1 192062753 OLNQVXAUJOOMCN-UHFFFAOYSA-N 243.350 3.623 30 20 BHED C=C1CCCc2cc(Br)ccc21 203358127 DKISPBHRYROLNM-UHFFFAOYSA-N 223.113 3.799 30 20 BHED C[C@H](C#N)Oc1ccccc1N[C@@H]1CCC[C@H]1C 272577834 QABYNWBNRCQTIP-JHJVBQTASA-N 244.338 3.578 30 20 BHED C=C(C)COc1cc(Cl)cc(Cl)c1 301603504 AIKAUGXSXJDJRO-UHFFFAOYSA-N 217.095 3.948 30 20 BHED C[C@H]1CCC[C@@H](COc2ccc(C#N)cc2)C1 302250027 AAHAWEONNYZKAS-GXTWGEPZSA-N 229.323 3.763 30 20 BHED C=CCCCOc1cc(Cl)cc(C#N)c1 379947106 JMHHERFCYWZJSP-UHFFFAOYSA-N 221.687 3.557 30 20 BHED C=CC(C)(C)CN[C@H]1CCC[C@@H](C(F)(F)F)C1 384930471 HIQYHOKMDPXOBZ-MNOVXSKESA-N 249.320 3.909 30 20 BHED N#Cc1c(-c2ccsc2)n[nH]c1C1CCCC1 409437983 BKKMSLVJLDSTLO-UHFFFAOYSA-N 243.335 3.667 30 20 BHED C=CCC(C)(C)c1noc([C@H](C)CC(F)F)n1 420501326 HZIWYZNDXKTVLQ-MRVPVSSYSA-N 244.285 3.682 30 20 BHED C=CC[C@@H]1N(CCCCC#N)CCCC1(C)C 444779959 MCXRCXGITFYXSS-AWEZNQCLSA-N 234.387 3.747 30 20 BHED C=CCCc1nc(-c2ccc(Cl)s2)no1 445563948 DWRLFLPUWIYKJB-UHFFFAOYSA-N 240.715 3.570 30 20 BHED C=CCCN(C)C(=O)[C@H](CC)CC1CCCC1 467048992 FVTUBNIFWWNLBV-CQSZACIVSA-N 237.387 3.627 30 20 BHED C=CCCC1(C(=O)N2C[C@H](C)CCC[C@@H]2C)CC1 483657513 SBPOKUZHDBQVHE-KGLIPLIRSA-N 249.398 3.770 30 20 BHED C=C(C)CN(Cc1ccco1)c1ccccc1 507845538 BQPLEIABZLPAOO-UHFFFAOYSA-N 227.307 3.862 30 20 BHED C=CCCN(C)[C@@H](C)Cc1ccc(Cl)cc1 525329035 XWVIDFGISOVFGL-LBPRGKRZSA-N 237.774 3.779 30 20 BHED Cc1cn(Cc2cccc(C(F)F)c2)cc1C#N 527028414 SFWITDQACUSJAV-UHFFFAOYSA-N 246.260 3.654 30 20 BHED C=C(C)CN[C@H](CCC)c1ccc(F)cc1F 539325637 XRMNQWJYVCVJBK-CQSZACIVSA-N 239.309 3.972 30 20 BHED CCC(CC)c1noc(C2(C#N)CCCCC2)n1 547086529 NRQHHUDVQDZGKW-UHFFFAOYSA-N 247.342 3.699 30 20 BHED C=CC[C@@H]1N(C(=O)C[C@H]2C[C@@H]2C)CCCC1(C)C 574327815 NAIFLKXAKKIXFH-MJBXVCDLSA-N 249.398 3.626 30 20 BHED CC(C)=CCSCC#Cc1ccc(F)cc1 581139133 RDGCMUORONCCQL-UHFFFAOYSA-N 234.339 3.877 30 20 BHED Cc1cccc(C)c1NC(=O)CCCCCC#N 588814920 CPINTIBZVHAFTE-UHFFFAOYSA-N 244.338 3.716 30 20 BHED C[C@@H](CCC#N)CN(C)[C@@H](C)c1ccccc1 602433970 VEUXVXVQVUAOSB-KBPBESRZSA-N 230.355 3.619 30 20 BHED C=CCCCCCS[C@H](C)c1nc(C)no1 618658383 SOKBJDUKPJMYCK-SNVBAGLBSA-N 240.372 3.919 30 20 BHED C=CCC1(NC(=O)c2c(C)coc2C)CCCC1 619110050 CUOSOPRHLFNSLW-UHFFFAOYSA-N 247.338 3.515 30 20 BHED C=CCC[C@@H](CCC)N[C@@H](C)Cc1ccccn1 655837286 RVLPNECLKFHECJ-LSDHHAIUSA-N 246.398 3.737 30 20 BHED C=CCCC(C)(C)NCc1csc(CC)n1 657805489 QIKXHDRKVNIYCW-UHFFFAOYSA-N 238.400 3.540 30 20 BHED C[C@H](CCC#N)N1CCC[C@@H](C2CCCCC2)C1 708235439 GCAHUJBRPAKUIE-GDBMZVCRSA-N 248.414 3.971 30 20 BHED CC(C)C[C@@H](C)CC(=O)Oc1ccc(C#N)cc1 727659641 RANPOOBTDUCROA-GFCCVEGCSA-N 245.322 3.536 30 20 BHED CCCCCCC=NNc1ccc(C#N)cc1 755643582 BXZZNYXOXBYXJC-UHFFFAOYSA-N 229.327 3.926 30 20 BHED CC(C)[C@@H]1CCCCC1=NO[C@H]1CCCCO1 755815374 RRNOXKSETZDRQR-JSGCOSHPSA-N 239.359 3.732 30 20 BHED C#Cc1cccc(NC[C@@H]2C[C@@H]2c2ccccc2)c1 766446503 NPEOLIWFOPHSQT-FUHWJXTLSA-N 247.341 3.884 30 20 BHED C=CC[C@@H](C(=O)OCC(C)C)c1ccccc1 778418621 SOIGSFYKKHGWFL-CQSZACIVSA-N 232.323 3.546 30 20 BHED CCCCCC(C)=NNc1ccnc(F)c1 781134135 SMRBGUROCVJVPE-UHFFFAOYSA-N 223.295 3.589 30 20 BHED CC(C)Oc1ccc(NCC2(C)CC2)cc1C#N 784316169 RMDGSUQDYTZMAL-UHFFFAOYSA-N 244.338 3.557 30 20 BHED CC1=CCC[C@@H](C)[C@H]1C=NNc1ncccc1C 790188428 YUZLRJLXQDZKAC-OCCSQVGLSA-N 243.354 3.780 30 20 BHED CC[C@@H](C)NN=C(C)CCc1ccccc1F 790190991 XLYZYUMYPGIDDT-LLVKDONJSA-N 236.334 3.522 30 20 BHED CCCCCCCS(=O)(=O)[C@H](CC)CCC 794920395 FTSZZVUHZABURV-CYBMUJFWSA-N 248.432 3.950 30 20 BHED CCCCCCCCN1CC[C@H](OC)C[C@H]1C 799343157 BGHSWZSITKQBIJ-CABCVRRESA-N 241.419 3.846 30 20 BHED C[C@@H](C=NNc1ccccn1)C1CCCCC1 814731492 BQTAAQGFDLKBGF-LBPRGKRZSA-N 231.343 3.696 30 20 BHED FC(F)(F)c1cccc(CON=CC2CC2)c1 853736488 CWDAAWAXJAMZSS-UHFFFAOYSA-N 243.228 3.618 30 20 BHED C=CCCC(C)(C)NC(=O)C(C)=C1CCCC1 856374177 QXIJCXMIAPBDSW-UHFFFAOYSA-N 235.371 3.738 30 20 BHED CCCC(C)=NNc1nccc2sccc12 915978846 AZEWZTUYDUPASN-UHFFFAOYSA-N 233.340 3.884 30 20 BHED Cc1ccccc1C(=O)/C=C\c1ccsc1 916155398 CCOYNOIRUFNEPQ-SREVYHEPSA-N 228.316 3.953 30 20 BHED C[C@H](c1cccc(Cl)c1)N1CCC[C@H](C#N)C1 932157443 IZKRSOACHFYBBI-VXGBXAGGSA-N 248.757 3.637 30 20 BHED C=CCCC(C)(C)NCc1cccn1C1CC1 1328896881 YCGSELGQEKTAFW-UHFFFAOYSA-N 232.371 3.657 30 20 BHED C[C@H]1C[C@@H](C)C[C@H](CCN(C2CC2)[C@@H](C)C#N)C1 1647257338 LFHCYJDQHNIQIZ-LJISPDSOSA-N 248.414 3.825 30 20 BHED C[C@H](CCC#N)CN1CCC(C2CCCC2)CC1 1657177437 WLPCRNPUVUEPEP-CQSZACIVSA-N 248.414 3.828 30 20 BHED C=CCn1c(SCC(=C)C)nc2ccccc21 34783805 NNBRLLAFDPEIHV-UHFFFAOYSA-N 244.363 3.891 30 20 BHED CCC[C@H](C)N[C@H](CCC#N)c1ccccc1 90664910 PJDVRFBDQLZLFZ-DZGCQCFKSA-N 230.355 3.810 30 20 BHED C=CC[C@H](C)NC1CCC(C(C)C)CC1 126895165 YCAUBZPBXRAHQZ-HSBZDZAISA-N 209.377 3.755 30 20 BHED CCCCCCCCCN[C@@H](C)[C@H]1CCOC1 128615526 DJSNTWMAEASOPR-GJZGRUSLSA-N 241.419 3.752 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)CCc1ccccc1 130507269 GNMRKIINTCYPSK-CABCVRRESA-N 231.383 3.952 30 20 BHED CC[C@H](C)[C@H](C)Nc1c(F)cc(C#N)cc1F 133598298 OPLDNPLYPZWNNF-IUCAKERBSA-N 238.281 3.683 30 20 BHED Cc1cc(F)ccc1N[C@H]1CCC[C@H](C#N)C1 185733061 HUGBGVYVOPYOOF-AAEUAGOBSA-N 232.302 3.628 30 20 BHED C[C@H](Oc1cccc(F)c1)c1cccc(C#N)c1 190087462 OCSZNPOSUJZAGA-NSHDSACASA-N 241.265 3.837 30 20 BHED C[C@@H](Oc1ccc(F)cc1)c1ccc(C#N)cc1 194621870 OGFNCQOISIXVHF-LLVKDONJSA-N 241.265 3.837 30 20 BHED CCC[C@@H]1CCCCN1Cc1cccc(C#N)c1 213426323 SHXVQFWYOGNULF-MRXNPFEDSA-N 242.366 3.713 30 20 BHED C=C(CC)CSCCOC(C)(C)C 336650337 HUQODMYLXLDWGR-UHFFFAOYSA-N 202.363 3.501 30 20 BHED C=CCOCCSCc1ccccc1C1CC1 338568292 UQDDFXJSDWGIPL-UHFFFAOYSA-N 248.391 4.000 30 20 BHED Cc1csc(CNc2ccc(F)cc2C#N)c1 344639444 YEZCQWQCKLLWSJ-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C#Cc1cccc(NC[C@@H]2CCCCC2(F)F)c1 381678026 LWDBAPRIDYGWLB-ZDUSSCGKSA-N 249.304 3.905 30 20 BHED N#Cc1ccc(N[C@H]2CC[C@H](F)C2)cc1Cl 381809269 HARVXKCWRPGEHO-UWVGGRQHSA-N 238.693 3.514 30 20 BHED C=C(C)CCNCc1ccc(Cl)cc1F 395415132 JNSWMPYFWSBMCU-UHFFFAOYSA-N 227.710 3.535 30 20 BHED CC[C@@H](NCc1ccc(C#N)cc1)C1CCCC1 395643328 BKSABQMGJKFQOF-MRXNPFEDSA-N 242.366 3.617 30 20 BHED CC[C@@H](NCC(C)(C)CC#N)c1cccc(F)c1 414159620 BQAJCGPFCVWOGN-CQSZACIVSA-N 248.345 3.806 30 20 BHED N#Cc1ccc(SCCOC2CCCC2)cc1 431928280 UFSNDWFTYCLBBB-UHFFFAOYSA-N 247.363 3.610 30 20 BHED C[C@H](CC1CCCCC1)N[C@@H]1CC[C@@H](C#N)C1 442874441 MCYNYCNKUQIKDM-BPLDGKMQSA-N 234.387 3.627 30 20 BHED C=CCC[C@@H](C)N[C@H](C)CCCc1cccnc1 459632139 DSXOYMNYVPAIBB-HUUCEWRRSA-N 246.398 3.737 30 20 BHED C=CCCCCNC(=O)N(CC)C(CC)CC 460881444 JURORYXISDRYMW-UHFFFAOYSA-N 240.391 3.563 30 20 BHED CC(C)(C#N)CCCN(CC1CCC1)CC1CC1 483264776 XMCUDAQGRMXULF-UHFFFAOYSA-N 248.414 3.828 30 20 BHED CC(C)(C#N)CCCCN(CC1CC1)C1CCC1 483308225 YTKXTTDBSNBFLQ-UHFFFAOYSA-N 248.414 3.971 30 20 BHED C=CCCC[C@H](C)NC(=O)Nc1ccc(C)cc1 538285013 ONLDMIWMETXXEP-ZDUSSCGKSA-N 246.354 3.861 30 20 BHED CC(C)C(CN(CCC#N)C(C)C)C(C)C 556602664 VCYZNORYIOIXCE-UHFFFAOYSA-N 224.392 3.539 30 20 BHED Cc1cc(SCC2(C#N)CCC2)ccc1C#N 569339998 YLQXIWVPLOBRHT-UHFFFAOYSA-N 242.347 3.653 30 20 BHED Cc1cccc(NC(=O)CCCCCC#N)c1C 588148762 OJFVSJAPHDWBET-UHFFFAOYSA-N 244.338 3.716 30 20 BHED CC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 595079023 CCBHURJSQXJOHJ-ZUZCIYMTSA-N 246.329 3.537 30 20 BHED C=CCCC[C@@H](C)NC(=O)C1CCC2(CC1)CC2 613276518 ZWFMXEAKVHUHKM-CYBMUJFWSA-N 249.398 3.818 30 20 BHED C=C(C)CN(C)Cc1nc2cc(C)ccc2s1 625312938 HMRKVTDMYAJELC-UHFFFAOYSA-N 246.379 3.613 30 20 BHED CCC(C)=NNc1ccc(Cl)c(F)c1 747635153 HHLJIRKYZATPDY-UHFFFAOYSA-N 214.671 3.677 30 20 BHED C#CCCCC(=O)Oc1cccc(C(C)(C)C)c1 757816721 MNUCPHJMFYNWRK-UHFFFAOYSA-N 244.334 3.693 30 20 BHED Fc1cccc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)c1 762420344 ZIOREKHZUYDRTA-SRVKXCTJSA-N 232.302 3.660 30 20 BHED CC[C@H](C)CON=C(C)c1sc(C)nc1C 764544532 KODZEODRSLJOJG-QMMMGPOBSA-N 240.372 3.547 30 20 BHED C=CCCCC[C@@H](C)NCc1cc(C)ccc1O 773427219 FDRLNXNQGGYYTP-CQSZACIVSA-N 247.382 3.925 30 20 BHED CC(=NOC1CCCC1)c1ccccc1F 774606791 AFLWMKHBPBYCLF-UHFFFAOYSA-N 221.275 3.509 30 20 BHED Cc1cc(C(=O)/C=C/c2ccc(Cl)cc2)no1 791431195 HHJPDDAJQDJLRZ-QPJJXVBHSA-N 247.681 3.533 30 20 BHED C[C@@H]1C(=NN[C@@H](C)C(C)(C)C)CCC[C@H]1C 793116211 RGJJZSGWDMNJSA-WOPDTQHZSA-N 224.392 3.823 30 20 BHED C[C@H](NN=C1CCC[C@H]1CCF)c1ccccc1 794900680 BBLRSEDSAYIZAD-JSGCOSHPSA-N 248.345 3.853 30 20 BHED CCCCCCCCOC(=O)[C@](C)(C#N)CC 796837496 AMWMSCWLKSKHMS-AWEZNQCLSA-N 239.359 3.830 30 20 BHED C[C@@H]1CCC(=NOC/C=C\Cl)C[C@H]1C 811671679 JQBCQRRTTSKCKQ-VKHKWTTCSA-N 215.724 3.568 30 20 BHED CC(CCCc1cccnc1)=NOCCC1CC1 834982175 PRXSPIVUZHSRNS-UHFFFAOYSA-N 246.354 3.597 30 20 BHED C=CC[C@@H]1CCCCC1=NNc1ncccc1F 853344783 SMHQSGVHGIQZNP-LLVKDONJSA-N 247.317 3.755 30 20 BHED Cc1cc(F)ncc1/C=C1\CCCC(C)(C)C1=O 899363758 TWPCAJDWCZCKOM-DHZHZOJOSA-N 247.313 3.692 30 20 BHED CCC(CC)(CC)CNc1ncc(C#N)cc1F 1162800004 RRYNHOCSEUQTLW-UHFFFAOYSA-N 249.333 3.721 30 20 BHED CC/C(=N\c1cc(C)sc1C)S[O] 1857775851 AVGYTOPCOIDGDL-MDZDMXLPSA-N 214.335 3.884 30 20 BHED CC(C)=NNc1ccc(Cl)c(Cl)c1 39435947 KJKHJOWAWRSWSQ-UHFFFAOYSA-N 217.099 3.801 30 20 BHED C=CCSc1nnc(-c2cc(C)cc(C)c2)o1 60730715 XAAAQVYRHDFHJS-UHFFFAOYSA-N 246.335 3.632 30 20 BHED N#Cc1ccc(-c2ncc(-c3ccccc3)o2)cc1 66054808 HFIBRMHRYDDOPI-UHFFFAOYSA-N 246.269 3.880 30 20 BHED C=CCCCC(=O)Nc1ccccc1SC 177499051 QSPWGHFHSPCIGM-UHFFFAOYSA-N 235.352 3.703 30 20 BHED C=CCN[C@@H](CC(C)C)c1ccccc1OC 181705253 GXLJLEXZWDPUJF-AWEZNQCLSA-N 233.355 3.558 30 20 BHED C=CCSCCN[C@@H](c1ccccc1)C(C)C 223157325 YBAVNWZPGTWONO-OAHLLOKOSA-N 249.423 3.893 30 20 BHED Cc1cccc([C@@H](C)NCCC(C)(C)C#N)c1C 272002341 HYQHBUSPJLRMLK-CQSZACIVSA-N 244.382 3.894 30 20 BHED C=C(C)CN1CCS[C@H](C)[C@H]1c1ccccc1 303689351 LOCLJCKSEHVFKD-HIFRSBDPSA-N 247.407 3.741 30 20 BHED C=CCCCSCCc1cccs1 308339403 QEGQUBGNSWTCKB-UHFFFAOYSA-N 212.383 3.990 30 20 BHED C=CCC(C)(C)CN[C@@H](C)Cc1ccc(O)cc1 311026261 CWWBDISRKZVSQR-ZDUSSCGKSA-N 247.382 3.515 30 20 BHED C[C@@H]1CC[C@@H](C(O)=Nc2cccc3ocnc23)C1 328900946 YNAWWXUOQOLRFW-NXEZZACHSA-N 244.294 3.852 30 20 BHED C=CCC[C@@H](CC)N[C@H](C)c1ccncc1F 338025498 XJJRONUBXFKBJZ-VXGBXAGGSA-N 236.334 3.616 30 20 BHED C=C(CC)CN[C@@H](CC)c1cc(F)ccc1F 341977333 BCPJXCFXSWBFEI-AWEZNQCLSA-N 239.309 3.972 30 20 BHED CC[C@H](CC#N)NC[C@H](C)CCc1ccccc1 358283320 UGMKFPRTIBRAKH-GDBMZVCRSA-N 244.382 3.537 30 20 BHED CC(C)(C)CNc1c(Cl)cccc1C#N 380277340 XYVKACAZGPEWLN-UHFFFAOYSA-N 222.719 3.670 30 20 BHED C=CC[C@H](CC)N[C@H](CC)c1ccccc1O 393776766 YIQDCSLBBRXFEX-GXTWGEPZSA-N 233.355 3.788 30 20 BHED C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C 412826653 QZEWHVBEPNACAP-RYUDHWBXSA-N 237.387 3.530 30 20 BHED C=CCC(C)(C)c1nc(Cc2cccs2)no1 426333791 JTGTZNVBTUGJOR-UHFFFAOYSA-N 248.351 3.576 30 20 BHED C=CCC1(C(=O)N2CC[C@H](C)[C@H]2C)CCCCC1 450037409 FYQCGKMDAMSQKN-UONOGXRCSA-N 249.398 3.770 30 20 BHED CC(C)[C@H]1C[C@H](Nc2cccc(C#N)c2)CS1 488299506 NZGYYASEJMZXGG-UONOGXRCSA-N 246.379 3.500 30 20 BHED CC(C)C1CCC(Nc2cnccc2C#N)CC1 535793595 ZEEFLTOQCURIRZ-UHFFFAOYSA-N 243.354 3.580 30 20 BHED C=CCCCCN(C)[C@@H](C)Cc1ccc(O)cc1 560220392 FACLHSHJIRXCPE-AWEZNQCLSA-N 247.382 3.611 30 20 BHED C[C@H]1CCCC1=NNc1cccc2cnccc12 729145312 OEUAKORVPMLFKS-NSHDSACASA-N 239.322 3.823 30 20 BHED CCC(CC)NN=C(C)C1CCCCC1 734366384 PSZPXRFOMJWYOR-UHFFFAOYSA-N 210.365 3.721 30 20 BHED C=CCCCOC(=O)C[C@@H](C)CC(C)C 735533072 KRVMPFTYSFMWBW-LBPRGKRZSA-N 212.333 3.568 30 20 BHED C=C(C)CCOC(=O)c1c(F)cccc1Cl 744299663 JRTVEJNKDSKEJV-UHFFFAOYSA-N 242.677 3.602 30 20 BHED CC(C)=CCCC(C)=NO[C@@H]1CCCCO1 755825582 YHFGHDDBEIIJJN-CYBMUJFWSA-N 225.332 3.652 30 20 BHED CCc1ccccc1NN=C(CCOC)C(C)C 756825482 GJQYAEOWCQFDHF-UHFFFAOYSA-N 248.370 3.709 30 20 BHED C#CCCN(C1CC1)[C@H](C)c1ccccc1Cl 764234486 RABFBMJHMDEZQO-GFCCVEGCSA-N 247.769 3.889 30 20 BHED C#CCCCNc1ccc(CC(F)(F)F)cc1 766727954 JUWURDVAULQNIE-UHFFFAOYSA-N 241.256 3.617 30 20 BHED Cc1cc(C)cc(/C=C\C(=O)c2cscn2)c1 769264949 OPINFICPILANKC-ARJAWSKDSA-N 243.331 3.656 30 20 BHED C#CCCCCN[C@@H](C)CCc1ccc(C)cc1 773038540 TXZHMHQIBDLMNJ-INIZCTEOSA-N 243.394 3.709 30 20 BHED CC(CC1CCC1)=NN[C@H]1CCCC1(C)C 782287007 IRBJYLZRKWHXLO-ZDUSSCGKSA-N 222.376 3.721 30 20 BHED C=CCCCCCC(C)=NOC[C@@H]1CCOC1 789051518 RNRVMBQVPIXAPA-CQSZACIVSA-N 239.359 3.552 30 20 BHED CC1CCC(=NNCC2(C)CCCC2)CC1 793081352 KBJYVFPZBJFIMX-UHFFFAOYSA-N 222.376 3.722 30 20 BHED C[C@@H](NN=Cc1ccc2occc2c1)C(C)(C)C 793115606 OBVPJABKSPJIRE-LLVKDONJSA-N 244.338 3.791 30 20 BHED C[C@@H]1CCCC(=NNc2cccc(Cl)n2)C1 793181716 ZFQXACJRBZHCMP-SECBINFHSA-N 237.734 3.713 30 20 BHED CC(=NOC/C=C/Cl)c1cc(C)cc(C)c1 811670996 KVUIVTHTPFFDOE-ZMXGKCDHSA-N 237.730 3.797 30 20 BHED CSCCON=C1CCCCC12CCCC2 814922103 UFEDFAYJFDDZGW-UHFFFAOYSA-N 241.400 3.856 30 20 BHED C=CCON=C[C@@H](CCC)c1ccccc1 835013407 RIECXLVVLBLGHO-CQSZACIVSA-N 217.312 3.759 30 20 BHED C=CCN(CCc1cccs1)C(C)(C)C 852554176 FKDREKYMXXYVLO-UHFFFAOYSA-N 223.385 3.577 30 20 BHED Fc1ccc(NN=Cc2ccc(Cl)o2)cc1 864537299 ZBUQFXQIOGJOOI-UHFFFAOYSA-N 238.649 3.518 30 20 BHED CCCCCCCCOC(=O)[C@H]1C[C@H]1C 918493951 HXRYFNOROKKIIR-NEPJUHHUSA-N 212.333 3.546 30 20 BHED C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C(C)C 933065040 ANHYVBWFWJWXLI-ZIAGYGMSSA-N 237.387 3.626 30 20 BHED COc1ccc2c(c1)C(=NOC(C)(C)C)CCC2 1319805780 YCBBNBFFMFANFK-UHFFFAOYSA-N 247.338 3.551 30 20 BHED C=C(C)CCC(=O)NC(C)(C)c1ccccc1F 1336502304 PONKWPIIHSBHEX-UHFFFAOYSA-N 249.329 3.533 30 20 BHED C=C(C)CSc1cc(Cl)ccc1C(=O)O 1602764615 HPIVFUNXJJSYFM-UHFFFAOYSA-N 242.727 3.706 30 20 BHED C=C(Cl)COc1ccc(C(C)=O)c(Cl)c1 1641435377 LRMBVBPFIXRFRH-UHFFFAOYSA-N 245.105 3.674 30 20 BHED N#Cc1cnc(NC2CCCCCCC2)c(F)c1 1651300560 JVXPNJFKAHTSPT-UHFFFAOYSA-N 247.317 3.617 30 20 BHED C=C(Cl)CN[C@H](CC)c1ccccc1F 163182391 DKVZJWHOVJHUQS-GFCCVEGCSA-N 227.710 3.619 30 20 BHED C=CC[C@@H](C)N[C@@H](CC)c1ccc2c(c1)CCO2 163315827 GHXWDCGXODMRAP-DOMZBBRYSA-N 245.366 3.627 30 20 BHED CC(C)(C)CCCCN[C@@H]1CCC[C@H](C#N)C1 185818533 FVMXEKNSEYHIFI-UONOGXRCSA-N 236.403 3.875 30 20 BHED CCCC[C@H](CC)CNc1ccc(C#N)cn1 220566469 UPGJRXCLAAZEKJ-LBPRGKRZSA-N 231.343 3.582 30 20 BHED CC(C)C(CNCc1ccc(C#N)cc1)C(C)C 229537135 WKAYOVUNCJUIPS-UHFFFAOYSA-N 244.382 3.576 30 20 BHED Cc1ccc(C#N)cc1OCc1ccccc1F 229947536 HVVPSTNDGBSBAO-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=CCSCCNC/C(C)=C\c1ccccc1 236699173 LBFDTKKIECZUHB-OWBHPGMISA-N 247.407 3.599 30 20 BHED CC(C)N(Cc1ccco1)CC(C)(C)CCC#N 271026423 APXDFFYMVDHQCH-UHFFFAOYSA-N 248.370 3.820 30 20 BHED Cc1cc(C#N)cc(N[C@@H](C)CC(C)C)c1 308107219 PPAMJCJKVJEWNS-LBPRGKRZSA-N 216.328 3.713 30 20 BHED C=CCCSCc1ccc(Cl)cn1 308192993 PMXGCAAMIRGPJP-UHFFFAOYSA-N 213.733 3.544 30 20 BHED C=CCC[C@@H](NCCC1CC1)c1ccco1 309530610 BQFSENNVAXYNNH-CYBMUJFWSA-N 219.328 3.677 30 20 BHED Cc1ccccc1N(CC1(C#N)CC1)C(C)C 343299886 HKDUKFIMCLAZBV-UHFFFAOYSA-N 228.339 3.514 30 20 BHED C=C(C)CCNc1ccccc1-n1nccc1C 345308719 CELZKYBAIKKVTP-UHFFFAOYSA-N 241.338 3.559 30 20 BHED C/C(=C\Cl)CSCCCSCC#N 379385343 SLCXXVMHQFWXDL-VQHVLOKHSA-N 235.805 3.509 30 20 BHED C=C(C)CCN[C@@H](C)[C@H]1CC2CCC1CC2 381925950 OWIFAVDOYTVXTI-VXGQWTEUSA-N 221.388 3.757 30 20 BHED CCN(CC#N)[C@@H](C)c1ccc(C(C)C)cc1 411211044 HEUUQTDEHMMLJW-ZDUSSCGKSA-N 230.355 3.716 30 20 BHED C=CC(C)(C)CNC(=O)Nc1cc(C)cc(C)c1 454190262 IMMYSFFNBWKHAA-UHFFFAOYSA-N 246.354 3.637 30 20 BHED CC(C)CCCCC(=O)Nc1ccccc1C#N 459837149 OAJCSPVANGBPKU-UHFFFAOYSA-N 244.338 3.713 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 467857030 UNPAZUMGVMUDSM-QVHKTLOISA-N 237.387 3.530 30 20 BHED C=CCCCOc1ccc(C(=O)CC)cc1F 479940702 PAKCWKXRMAMGHT-UHFFFAOYSA-N 236.286 3.763 30 20 BHED C=C(CC)CN[C@@H](C)c1cc(F)c(F)c(F)c1 552956566 FGBQXJFSRRBMFI-VIFPVBQESA-N 243.272 3.721 30 20 BHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)C(C)(C)C 554101279 AAHVIWAFHAZSFS-HNNXBMFYSA-N 239.403 3.777 30 20 BHED C=CCC(C)(C)c1noc(C(C)(C)CC)n1 568788106 YFGCJFOLZUZEPL-UHFFFAOYSA-N 222.332 3.611 30 20 BHED Cc1cccc(CN(C)C[C@H](C)CCC#N)c1C 602673597 WDWYEBNEQWCJNM-CYBMUJFWSA-N 244.382 3.675 30 20 BHED C=C[C@@](C)(CC)c1nc([C@H](C)c2ccco2)no1 621795366 HMBDIICLHQUDTQ-YGRLFVJLSA-N 246.310 3.668 30 20 BHED C=C(C)CNCc1c(Cl)ccc2cccnc12 682169837 NMEVCUZIKSPTEY-UHFFFAOYSA-N 246.741 3.554 30 20 BHED C#CCCCC(=O)NC1CC(C)(C)CC(C)(C)C1 758014248 MRRRKCCKUREHNH-UHFFFAOYSA-N 249.398 3.511 30 20 BHED O=C(/C=C/c1ccc(Cl)cc1)c1cscn1 769266523 XDPWKYHXCFNHKG-ZZXKWVIFSA-N 249.722 3.693 30 20 BHED C#CCN(C(=O)/C(C)=C(/C)CC)C1CCCCC1 779878520 CMMAEKGVWKMIJK-YPKPFQOOSA-N 247.382 3.527 30 20 BHED C[C@@H](CCON=C1CCC1)OCc1ccccc1 788787314 MEKFTDDVYBBPHW-ZDUSSCGKSA-N 247.338 3.538 30 20 BHED CC[C@H]1CC[C@@H](C)CC1=NNc1ccnc(F)c1 797403240 FGCHKSKCNVSIFK-MNOVXSKESA-N 249.333 3.835 30 20 BHED C[C@@H]1CC(=NOC/C=C/Cl)C[C@H](C)C1 811668527 PHIGCQBXGOEKSS-QYOLOBIPSA-N 215.724 3.568 30 20 BHED C#CCON=C1CCCC[C@H]1C1CCCCC1 814936462 TZSFLYAXZGFUBL-AWEZNQCLSA-N 233.355 3.763 30 20 BHED CC[C@H](C)CC=NNc1ccc(OC)cc1 834966769 SGMJJMVBBOCSBL-NSHDSACASA-N 220.316 3.529 30 20 BHED C=CCC1(CNC(=O)/C=C(/C)C2CC2)CCCC1 836991088 ONODLTSMDIXPCN-QBFSEMIESA-N 247.382 3.595 30 20 BHED C=C[C@@](C)(CC)C(=O)O[C@@H](CC)c1ccncc1 839446854 ZNEMSAAGHKTRJQ-ZFWWWQNUSA-N 247.338 3.678 30 20 BHED C=CC(C)(C)CC(=O)O[C@@H](CC)c1ccncc1 891440624 ZVOHCAQQDSKCFW-ZDUSSCGKSA-N 247.338 3.678 30 20 BHED Cc1ccc(NN=C[C@@H]2CC=CCC2)cc1 916250220 QZNNVRLMWLYFEH-CYBMUJFWSA-N 214.312 3.749 30 20 BHED CCCCCCCCCN(C)C(=O)C1CCC1 918397874 PNIKLKHZPWYICU-UHFFFAOYSA-N 239.403 3.996 30 20 BHED CC(C)(C)ON=C1Cc2ccc(Cl)cc2C1 1319583917 OWNKDQWDBOCFMD-UHFFFAOYSA-N 237.730 3.610 30 20 BHED CC(=NOC(C)(C)C)c1c(C)cc(C)cc1O 1321359915 YIYSNEKPSNSHDU-UHFFFAOYSA-N 235.327 3.548 30 20 BHED N#Cc1ccc(OCCC(F)=C(F)F)c(F)c1 1458995479 GIZBQAGTPHLJCA-UHFFFAOYSA-N 245.175 3.544 30 20 BHED CC[C@H](C)[C@@H]1CCCCN1CC1(CC#N)CC1 1652547240 YRWJSBARIOWEAO-KBPBESRZSA-N 234.387 3.581 30 20 BHED C[C@@H]1CN(CCC2(C#N)CCCCC2)[C@H](C)[C@H]1C 1654779578 UGQXSMSOZCMEEC-QLFBSQMISA-N 248.414 3.827 30 20 BHED Cc1ccc(C)c(CNc2ccccc2C#N)c1 42237780 OCNDPJBVRMULKZ-UHFFFAOYSA-N 236.318 3.787 30 20 BHED C=C(C)CSc1nccn1-c1ccccc1C 48398109 DOEPQZGWENAKNF-UHFFFAOYSA-N 244.363 3.849 30 20 BHED Cc1cccc(C)c1CNc1ccc(C#N)cc1 83363858 FGACTQANGOHSCR-UHFFFAOYSA-N 236.318 3.787 30 20 BHED C[C@@H](c1ccccc1F)N(C)CCC(C)(C)C#N 87595575 JCBKXOKCTWLMBA-LBPRGKRZSA-N 248.345 3.758 30 20 BHED C=CCCC(=O)Nc1cc(C(C)(C)C)ccc1O 102466489 YLYLIMFFDMEGAD-UHFFFAOYSA-N 247.338 3.594 30 20 BHED Cc1cc(F)ccc1/C=C/C(=O)c1occc1C 119032089 ALZLXDGUNXTJMQ-GQCTYLIASA-N 244.265 3.932 30 20 BHED CC[C@@H](c1ccc(Cl)cc1)N(C)CCC#N 123034973 JKJDOHOWUYNPCK-ZDUSSCGKSA-N 236.746 3.637 30 20 BHED C=C(Br)CN[C@@H](C)CCC=C(C)C 125051393 PTJQYLDDHSFBSA-NSHDSACASA-N 246.192 3.620 30 20 BHED C[C@H]1CCC[C@@H](N(C)CC(C)(C)CCC#N)C1 130672650 CIRIEXCRCWSHJX-UONOGXRCSA-N 236.403 3.827 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2 132686807 WLKOSNWOPDRRIL-STQMWFEESA-N 229.367 3.791 30 20 BHED C=CCC(CC=C)C(=O)Nc1cscc1C 154634760 JBAKTNZOURGUFB-UHFFFAOYSA-N 235.352 3.763 30 20 BHED CCN(Cc1cc(F)ccc1C#N)[C@H](C)C(C)C 160435634 GKPBYPDMKNYVMY-GFCCVEGCSA-N 248.345 3.564 30 20 BHED C[C@@H]1CCC[C@H](CNCc2cc(C#N)cs2)C1 177689743 SIWZREBZBRHLFI-NEPJUHHUSA-N 248.395 3.536 30 20 BHED CSc1ccccc1N[C@@H]1CCC[C@@H](C#N)C1 185735768 SHJOJFVTRIEETC-VXGBXAGGSA-N 246.379 3.903 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@H]1C=CCCC1 188980829 VOJNLFYWRBKIET-KBPBESRZSA-N 235.371 3.594 30 20 BHED N#CCCCSCc1nc2ccccc2s1 190889449 JZSLSHOZJUIVDK-UHFFFAOYSA-N 248.376 3.833 30 20 BHED CC(C)N(CCCC(C)(C)C#N)CC1CCC1 193205461 NFUIKLRTTLBODI-UHFFFAOYSA-N 236.403 3.827 30 20 BHED C=C(C)CN(C)[C@@H](C)c1ccccc1C 193425944 GSYDHUKDXZRTQY-ZDUSSCGKSA-N 203.329 3.564 30 20 BHED CC(C)[C@H](C)SCc1cccc(C#N)c1F 223551040 WZHWUKRMYPFYJX-JTQLQIEISA-N 237.343 3.975 30 20 BHED C=CCCCCCNc1ccccc1COC 234749270 QFNPCKFRRWDIQD-UHFFFAOYSA-N 233.355 3.991 30 20 BHED Cc1cccc(CSC[C@H](C#N)CCC#N)c1 295752754 ACUVZNDOQXILFD-AWEZNQCLSA-N 244.363 3.672 30 20 BHED C=C(Cl)CSc1cc(C)cc(C)n1 306527760 YPCFBWYHWNUFPE-UHFFFAOYSA-N 213.733 3.543 30 20 BHED C=CCCC[C@H](C)Nc1cc(C)ccn1 308848835 NIXMEKNBVIRUFS-LBPRGKRZSA-N 204.317 3.547 30 20 BHED N#C[C@@H]1CC[C@H](Nc2cc(F)cc(Cl)c2)C1 309595011 UGNOENJHCIIRGS-KCJUWKMLSA-N 238.693 3.583 30 20 BHED CCCCN(CCCC#N)[C@H]1CCC[C@H](C)C1 339649851 VFNFAZMSEPLTGM-GJZGRUSLSA-N 236.403 3.971 30 20 BHED C=CCC(C)(C)C(=O)N1CC[C@H](C)C2(CCC2)C1 345054801 PPTOEQMXEJQJHH-ZDUSSCGKSA-N 249.398 3.627 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccc(C)s1 385458240 KJQMKHNEMGZPFJ-LLVKDONJSA-N 223.385 3.919 30 20 BHED C=C(Br)CN[C@H](C)[C@H](C)CCCC 393709853 GMHAZLYLRWTWOW-MWLCHTKSSA-N 248.208 3.699 30 20 BHED C=CCCC[C@H](C)N[C@H]1CCC[C@@H]2C[C@H]12 398069773 LMUAEQCVRZVTFQ-CRWXNKLISA-N 207.361 3.509 30 20 BHED N#CCCCCN1CCC[C@H](c2ccccc2)C1 433050321 BOUSHFHNUZQRGY-INIZCTEOSA-N 242.366 3.560 30 20 BHED C[C@@H]1CC[C@H](NC2CCC(C)(C#N)CC2)C[C@H]1C 449240380 YRTPHQWCUIPTCC-AQIKHJSRSA-N 248.414 3.873 30 20 BHED C=C(CC)CN[C@@H](C)c1sc(CC)nc1C 453351109 IAVUQAOZOJPFQA-JTQLQIEISA-N 238.400 3.631 30 20 BHED C=CCCC1(C(=O)N[C@H]2C[C@]2(CC)C(C)C)CC1 457282374 NBBRJQBHHUNDOR-XJKSGUPXSA-N 249.398 3.674 30 20 BHED CC#CCOc1cc(C(F)(F)F)ccc1Cl 463045458 SCLFYCIMBFWLAV-UHFFFAOYSA-N 248.631 3.761 30 20 BHED CC1(C)CCC(CN[C@H]2CCC[C@@H](C#N)C2)CC1 463244289 GPDUEEXAZGSXSF-CABCVRRESA-N 248.414 3.875 30 20 BHED C=CCC(C)(C)CNC(=O)C[C@H]1CC[C@H](C)C1 489943601 UKIUNTZTBLKHSG-STQMWFEESA-N 237.387 3.531 30 20 BHED C=C(C)CCN(CCc1ccc(F)cc1)C1CC1 509702077 XRSCICDJDNNHEK-UHFFFAOYSA-N 247.357 3.799 30 20 BHED C=CCCN1C[C@@H](C)C[C@@H]1c1ccccc1 513241940 NMIBMPONMJUXGB-DZGCQCFKSA-N 215.340 3.646 30 20 BHED CCN(CC#N)CC1CCC(C(C)(C)C)CC1 525120408 UQTMNSXOPBWZQB-UHFFFAOYSA-N 236.403 3.684 30 20 BHED C=C(CC)CN1CCc2sccc2[C@H]1C 539095049 BLTUYLFVNZFZNL-LLVKDONJSA-N 221.369 3.633 30 20 BHED CC(C)CC1(C)CCN([C@@H]2CC[C@H](C#N)C2)CC1 549717887 JPEGWPOYVKPQSX-LSDHHAIUSA-N 248.414 3.827 30 20 BHED C=CCC(C)(C)C(=O)NCCC(C)(C)C1CC1 569959274 UBHWESVXFQFOBQ-UHFFFAOYSA-N 237.387 3.531 30 20 BHED CC[C@H](NCCc1cccc(C#N)c1)C(C)(C)C 582449911 WEWMWRNWQCNVFZ-HNNXBMFYSA-N 244.382 3.515 30 20 BHED C=CCCN(Cc1ccc(CC)cc1)C1CC1 606896106 WDQIYKKEIVRKKL-UHFFFAOYSA-N 229.367 3.790 30 20 BHED C=CC[C@@H]1CCCN(Cc2cccs2)C1 661381524 MQUVSINGJZCTMS-GFCCVEGCSA-N 221.369 3.536 30 20 BHED Oc1ccccc1/C=N\[C@@H]1CC[C@@H]2CCC[C@H]2C1 741843779 MBUPVDAKZHMGET-MRUUTFPISA-N 243.350 3.780 30 20 BHED C#CCCCN[C@H]1CCCc2c(C)ccc(C)c21 769965708 YUIMXINPEMUVOB-INIZCTEOSA-N 241.378 3.684 30 20 BHED C=CCCC(=O)OCc1ccc(C)cc1Cl 773415316 NXESSIJYNHJVAG-UHFFFAOYSA-N 238.714 3.658 30 20 BHED CCCC(CC)=NOCCC(F)(F)F 777456298 WVQOEVCYSQIPEV-UHFFFAOYSA-N 211.227 3.522 30 20 BHED C#CCCCN1CC(C)(C)[C@H]1c1cccs1 805839518 QRHVOIJIBPFIFV-CYBMUJFWSA-N 233.380 3.544 30 20 BHED Cc1ccc(OC(=O)CCCCCC#N)c(C)c1 805849803 RSHXXPKZVCJBDQ-UHFFFAOYSA-N 245.322 3.683 30 20 BHED Cl/C=C/CON=C[C@@H]1C[C@H]1c1ccccc1 811667676 AQNHNIBWBYQWAV-NRBHXHKZSA-N 235.714 3.545 30 20 BHED Cc1ccccc1C(=NOC1CCC1)C1CC1 812235170 NWVQVJXPJXPQSM-UHFFFAOYSA-N 229.323 3.678 30 20 BHED CCC(=NNc1ccc(F)c(F)c1F)C1CC1 814944179 UQAQYXCYACOUJD-UHFFFAOYSA-N 242.244 3.692 30 20 BHED CC(C)=CCC[C@@H](C)CC=NNc1ccncn1 835003607 ZBEHOEWXEYSLHM-CYBMUJFWSA-N 246.358 3.647 30 20 BHED CC(CC(C)(C)C#N)=NNc1ccc(C)c(F)c1 853437976 LYOBBMBQHBHKLO-UHFFFAOYSA-N 247.317 3.862 30 20 BHED C=CCCC[C@@H](C)OC(=O)[C@@H]1C[C@H]1c1ccco1 860441912 RCGLBASURSDHDU-JHJVBQTASA-N 248.322 3.671 30 20 BHED C[C@@H](CC(=O)OCCCCC#N)CC(C)(C)C 919496794 OXVZGUTWINTWEM-LBPRGKRZSA-N 239.359 3.686 30 20 BHED Oc1ccc(Cl)cc1/C=N\C[C@H]1CC=CCC1 920991543 UTDTWUDUILOTAE-OKHBPPCESA-N 249.741 3.821 30 20 BHED CC(C)CCN(C)CCCCC1(C#N)CCC1 929292991 KKOVJRHKHMMXLB-UHFFFAOYSA-N 236.403 3.828 30 20 BHED CC[C@H]1CCC[C@H](Nc2cccc(CC#N)n2)C1 1321329434 VOZSGXWJXHSSCO-JSGCOSHPSA-N 243.354 3.528 30 20 BHED C=C(Cl)CN1c2ccccc2C(C)(C)[C@H]1C 1643823588 ZTCQXPCPDJUOET-LLVKDONJSA-N 235.758 3.925 30 20 BHED CC[C@]1(C)CCN(CCC2(C#N)CCCCC2)C1 1652905650 OWOLBGYJXRTQAS-OAHLLOKOSA-N 248.414 3.973 30 20 BHED CCCCSCc1cc(C#N)ccc1F 35175814 NCOKJPVQBOOPTB-UHFFFAOYSA-N 223.316 3.731 30 20 BHED N#CCCCCSc1nc2ccccc2o1 42199556 JLTMGMGSUPRPNR-UHFFFAOYSA-N 232.308 3.614 30 20 BHED CCC(CC)Nc1ccc(Cl)cc1C#N 52856683 HVEQJCZJKMXEMD-UHFFFAOYSA-N 222.719 3.812 30 20 BHED CCCCCCOc1ccc(C#N)c(F)c1 82644259 WNQKKLGDZINTSS-UHFFFAOYSA-N 221.275 3.656 30 20 BHED C[C@@H](N[C@H](CCC#N)c1ccccc1)C1CCC1 90665760 WTBRHROGAPSVGP-CZUORRHYSA-N 242.366 3.810 30 20 BHED C=CCC[C@@H](C)NCCCc1ccccc1 126706118 YKYHQSNGFODBOQ-CQSZACIVSA-N 217.356 3.564 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cccc(C)c1 128037248 RCBZGEBZBUWUCK-CHWSQXEVSA-N 203.329 3.610 30 20 BHED C=CCC(CC=C)C(=O)N1CCCC[C@H]1CCC 183060273 NVIRWWAOKVNSRD-OAHLLOKOSA-N 249.398 3.936 30 20 BHED CC/C=C/CCN(CCC#N)CC(C)(C)C 184568677 BNMRGYQXENHUBV-VOTSOKGWSA-N 222.376 3.604 30 20 BHED CC#CCCCC(=O)N1CCC[C@H]1[C@H](C)CCC 185889497 LKLJJLBARYZSPF-CABCVRRESA-N 249.398 3.607 30 20 BHED C=C(C)CN(C)Cc1ccc2nc(C)ccc2c1 188302152 IARQFTNVPCNYKC-UHFFFAOYSA-N 240.350 3.551 30 20 BHED CCCCCCCC(=O)OC/C=C\Cl 195790037 DQDAHPGZXVTTSA-CLFYSBASSA-N 218.724 3.643 30 20 BHED C=CCCCCCOc1cc(OC)ccc1C=O 234884774 XCUYZEBCNFEZMO-UHFFFAOYSA-N 248.322 3.633 30 20 BHED Cc1ccc([N+](=O)[O-])cc1[C@H](C)ON=C1CCC1 272288048 PFKUHQCSZKDKFD-JTQLQIEISA-N 248.282 3.521 30 20 BHED CCCC[C@@H]1CCC[C@@H]1Nc1ncccc1C#N 301158125 OEEWAUKGWLVDOJ-OCCSQVGLSA-N 243.354 3.724 30 20 BHED CCCC/N=C(/N)Nc1ccc([C@H](C)CC)cc1 303707468 MLDVASPUPYZFKN-GFCCVEGCSA-N 247.386 3.727 30 20 BHED C=CCC[C@@H](C)NCC12CCC(CC1)C2 309024021 YVZNLJUJAJYBIJ-IYXRBSQSSA-N 207.361 3.511 30 20 BHED C=CCCCC[C@@H](C)N[C@H](CC)C1CC1 309185760 OSOPQXHWGZSDES-TZMCWYRMSA-N 209.377 3.900 30 20 BHED N#CC1(CN2CCCC[C@@H]2c2ccccc2)CC1 334839077 LPHKEKGFGSOOND-OAHLLOKOSA-N 240.350 3.517 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc(F)cc1C 378784425 JAMCMJGUMQIAPG-VXGBXAGGSA-N 221.319 3.749 30 20 BHED C=CCC[C@@H](CC)N[C@@H]1CCC(C)(C)C1 389991494 ONQARPJVZJPSBD-CHWSQXEVSA-N 209.377 3.900 30 20 BHED CCCC[C@@H](CC)CN1CCC[C@H](CC#N)C1 397714902 QHBYSBQZGXLOON-HUUCEWRRSA-N 236.403 3.828 30 20 BHED C=CC[C@H](CC)NC(=O)C[C@H]1CCC[C@@H](C)C1 410127448 NEQOTKHQDNAJTG-RDBSUJKOSA-N 237.387 3.674 30 20 BHED C[C@H](C#N)Sc1ccc2c(c1)CCCC2 421844176 SJJFDICWNBVPBI-SNVBAGLBSA-N 217.337 3.570 30 20 BHED C=CCCCCCSc1ccncc1 447301857 BKPJZUUQFVEGMJ-UHFFFAOYSA-N 207.342 3.920 30 20 BHED C=CC[C@H](C)NC[C@H](C)c1cc(F)cc(F)c1 449151011 VEDVRHQVRHADJR-QWRGUYRKSA-N 239.309 3.623 30 20 BHED C=CCC[C@@H](CCC)NCCc1ccc(C)cn1 453434462 UCKTZPRHPBWJDA-OAHLLOKOSA-N 246.398 3.657 30 20 BHED C=CCC[C@H](CCC)NC[C@@](C)(O)[C@H](C)CC 462109123 CSKSIQCXSLCVKO-QLFBSQMISA-N 241.419 3.508 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@@](C)(CC)CCC 466530250 QAIDFXDAYUMUOE-OCCSQVGLSA-N 225.376 3.674 30 20 BHED C=CCCC1(C(=O)Nc2cccc(CC)c2)CC1 474077357 AKSLPNBTUXLQFW-UHFFFAOYSA-N 243.350 3.934 30 20 BHED CC#CCCCC(=O)N[C@@H](C)CC1CCCCC1 487257175 SZXSQDCSTFFTHU-AWEZNQCLSA-N 249.398 3.655 30 20 BHED C=CCC(C)(C)CNC(=O)C[C@H]1CC[C@@H](C)C1 489943598 UKIUNTZTBLKHSG-OLZOCXBDSA-N 237.387 3.531 30 20 BHED C=CCCN1CC[C@H](c2ccccc2)C[C@@H]1C 520433354 SCNDHBAEQXFCSV-HOCLYGCPSA-N 229.367 3.831 30 20 BHED C=CCCN(C)[C@@H](C)c1ccccc1Cl 524811410 HYABETXZBPPBFY-NSHDSACASA-N 223.747 3.909 30 20 BHED CC1=CCC[C@@H](C)[C@H]1CN(CCC#N)C(C)C 527493060 JRXJPRQEROPWMY-CABCVRRESA-N 234.387 3.603 30 20 BHED C=CCCC[C@H](C)NC(=O)Nc1cccc(C)c1 538284479 ZGEFRVDZQWWRLS-ZDUSSCGKSA-N 246.354 3.861 30 20 BHED C[C@H]1CC(C)(C)CC[C@@H]1Nc1cnccc1C#N 538741991 GJILIYCHBCBWDF-AAEUAGOBSA-N 243.354 3.580 30 20 BHED CCC[C@@H]1[C@H](C)CCCN1CCC(C)(C)C#N 540667892 PCFQNURPHKMNLW-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED C=CCOCCOc1cc(Cl)cc(Cl)c1 581828542 FPUYKDQSVQEWMT-UHFFFAOYSA-N 247.121 3.575 30 20 BHED CC(C)(C)N(CCCC#N)Cc1ccsc1 595600783 JGHGTFMWWLSDLC-UHFFFAOYSA-N 236.384 3.652 30 20 BHED C=C(C)COc1ccc(C(F)(F)F)c(C#N)c1 619267331 ZDQGSHTUYOBACT-UHFFFAOYSA-N 241.212 3.532 30 20 BHED C=CCCC(C)(C)NC(=O)c1cccc(C)c1F 620859171 XEEYUYIFOOTWSG-UHFFFAOYSA-N 249.329 3.609 30 20 BHED C#Cc1cccc(N[C@H](C)Cc2cccs2)c1 689890021 BOFWXFGENHNGSB-GFCCVEGCSA-N 241.359 3.773 30 20 BHED C=C(Cl)CN1CCCc2ccc(C)cc21 732410801 IGDDINIFUFWRAR-UHFFFAOYSA-N 221.731 3.500 30 20 BHED C=C(C)CCOC(=O)C(C)(C)CC(C)C 753409671 QOFFAGJULQEPEK-UHFFFAOYSA-N 212.333 3.568 30 20 BHED CC1=CC(=NNCc2cccc(Cl)c2)CC1 756827865 RPUIYEMNBZQDIZ-UHFFFAOYSA-N 234.730 3.526 30 20 BHED C=CCCSCc1cccc2nsnc12 764642386 WNWJLTUFVDOFQX-UHFFFAOYSA-N 236.365 3.501 30 20 BHED C1CCC(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)CC1 786042237 NMQMRPWPJDVUEK-BEAPCOKYSA-N 246.398 3.721 30 20 BHED Cc1cccnc1NN=C1C[C@H](C)C[C@@H](C)C1 790185701 KYPFPNXMPBXJTO-GHMZBOCLSA-N 231.343 3.614 30 20 BHED CC[C@H](C)NN=C1CCC[C@H]1Cc1ccccc1 790186958 CXZZAZYXDXBXTH-ZFWWWQNUSA-N 244.382 3.773 30 20 BHED CC(C)[C@@H]1CCCC(=NOCC(F)(F)F)C1 794522797 DFHKEIVWSXFTSS-SECBINFHSA-N 237.265 3.768 30 20 BHED CCC(C[C@@H](C)CC)=NNCCC(F)(F)F 794552633 QCGNSSJFIAYAGX-VIFPVBQESA-N 238.297 3.731 30 20 BHED C#CCCCN(C(C)C)[C@@H](C)c1ccsc1 817285649 ANYWSYKRQDLJGH-ZDUSSCGKSA-N 235.396 3.933 30 20 BHED CC(=NNc1ccccn1)[C@H]1CCCC[C@H]1C 834923851 FAJGOJVXDVMFGA-YPMHNXCESA-N 231.343 3.696 30 20 BHED CC(C)ON=C[C@H](C)CCc1ccccc1 835001256 XDBKUQZQMGFFPW-CYBMUJFWSA-N 219.328 3.666 30 20 BHED C=CCC1(NC(=O)/C(=C\C)CC)CCCCC1 836957791 YHNNTNQZXSDAJM-ACAGNQJTSA-N 235.371 3.738 30 20 BHED C=C[C@@H](CC)CC(=O)N1C2CCCC1CCC2 933585943 RESPPVKZJAMBKR-HSBZDZAISA-N 235.371 3.522 30 20 BHED CC[C@@H](C)C(C)=NNc1ccc(C(C)(C)C)nn1 1318580062 JTSFIZHKHXGKIG-SNVBAGLBSA-N 248.374 3.608 30 20 BHED C=CCC(C)(C)C(=O)N[C@H](C)c1ccc(F)cc1 1518483995 BPSJZXIMIWHOPT-LLVKDONJSA-N 249.329 3.605 30 20 BHED CCC[C@@H](CC)C(=O)Nc1cc(C)cc(C#N)c1 1584930366 OZLZZTJDQNDJEN-CYBMUJFWSA-N 244.338 3.632 30 20 BHED Cc1ccc(/C=C2\Oc3ccccc3C2=O)cc1 39959502 GMCTULLKJXDQBT-GDNBJRDFSA-N 236.270 3.611 30 20 BHED Cc1ccccc1CNc1cc(C#N)ccc1C 50212759 XFBOSCHQAFRMMC-UHFFFAOYSA-N 236.318 3.787 30 20 BHED CC(C)Nc1nc(-c2ccc(C#N)cc2)cs1 57382360 CRZIWVQKIQJUCN-UHFFFAOYSA-N 243.335 3.502 30 20 BHED C=CCOC(=O)c1ccc(-c2ccccc2)cc1 57470903 XHABVEGHSZJJOD-UHFFFAOYSA-N 238.286 3.696 30 20 BHED CCCN(CCCC#N)CC1CCCCC1 60495556 IGKCDEGSUQRQQL-UHFFFAOYSA-N 222.376 3.582 30 20 BHED CC(C)(C)OCCSCc1ccc(C#N)cc1 68961479 FHNHBRZVIXSADE-UHFFFAOYSA-N 249.379 3.607 30 20 BHED CSc1ccccc1OCCC(C)(C)C#N 87596173 SROMIDSTEWQSMX-UHFFFAOYSA-N 235.352 3.727 30 20 BHED C=CCC[C@@H](C)NCc1sccc1C 126788215 BEUPRUCPIYTICE-LLVKDONJSA-N 209.358 3.501 30 20 BHED CCCCCCCCCN[C@@H]1CCO[C@@H]1C 133958701 LGBXAGKNTAJYFC-ZIAGYGMSSA-N 227.392 3.504 30 20 BHED CC(C)c1ccccc1OC[C@H](C#N)CCC#N 153094959 ZEPMJCKGSUTZBZ-ZDUSSCGKSA-N 242.322 3.632 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc(CCC)cc1 157244885 YRRXDCMRTOOPJX-STQMWFEESA-N 217.356 3.864 30 20 BHED C#CCCCCNC1CCC(CCC)CC1 165932330 ZISYPZGQXJCMGS-UHFFFAOYSA-N 221.388 3.738 30 20 BHED C=C[C@@](C)(CC)C(=O)NCC1(CC(C)C)CC1 188506366 DQCYYXGXIDGLAN-AWEZNQCLSA-N 237.387 3.531 30 20 BHED CC[C@@H](C)CSCc1ccc(F)c(C#N)c1 229754537 ASLBGUFVRHKMEZ-SNVBAGLBSA-N 237.343 3.977 30 20 BHED Cc1cc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)c(C)o1 249037786 TUIOPMLIYGDDQL-IACUBPJLSA-N 246.354 3.629 30 20 BHED Cc1ccoc1C(=O)/C=C\c1ccc(F)cc1 255418492 ZYYKSROVRZATFE-DAXSKMNVSA-N 230.238 3.623 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1sc(C)nc1C 281460801 DUBLWKASCUBIDU-JQWIXIFHSA-N 238.400 3.765 30 20 BHED N#C[C@@H]1CC[C@@H](Sc2cccc(F)c2)C1 296037796 PRDXVPSMIHYBCC-BXKDBHETSA-N 221.300 3.610 30 20 BHED CSCCCSc1cccc(F)c1C#N 319673560 MZZHGFYNKUHQJO-UHFFFAOYSA-N 241.356 3.543 30 20 BHED C=C[C@H](C)N[C@H]1CCC[C@H](c2ncccc2C)C1 343454550 KJLRPGRQVHRAQU-KKUMJFAQSA-N 244.382 3.580 30 20 BHED C[C@H](CCC#N)N1CCC[C@@H](C(C)(C)C)CC1 351267409 GSZXOSLBWNYDGL-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED CC(C)(C)OCCCCSCCCC#N 359056408 QIQBQONXPHYFRI-UHFFFAOYSA-N 229.389 3.619 30 20 BHED C=CCCCCCCNc1cccnc1C#N 393889202 XXVZDJHBEMUMRR-UHFFFAOYSA-N 229.327 3.502 30 20 BHED CC(C)(C#N)CCCN1CC[C@H]1c1ccccc1 409445218 OQEZQLRARXMGTG-HNNXBMFYSA-N 242.366 3.763 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[C@@H](C)C1 424607406 LFDYIUYNHAAGGN-OLZOCXBDSA-N 237.387 3.531 30 20 BHED C=CCN(CC[C@@H](C)c1ccccc1)C1CC1 446757519 BKROUCMTSRVFLQ-CQSZACIVSA-N 229.367 3.831 30 20 BHED C=CCC[C@@H](CC)N[C@@H](CO)CCC(C)(C)C 475678507 BXKPOGYUVCOICO-ZIAGYGMSSA-N 241.419 3.508 30 20 BHED C=CCCCC(=O)NCC[C@H]1CCCC[C@@H]1C 479616692 JWDPTVIEOIAEDK-UONOGXRCSA-N 237.387 3.675 30 20 BHED C=C(C)COc1cccc2c(C)cc(C)nc12 486237254 ZZKHPNKBZSDHQD-UHFFFAOYSA-N 227.307 3.807 30 20 BHED CCc1cc(C#N)ccc1OCCSC(C)C 509761990 LTOPPDPYHCMKRE-UHFFFAOYSA-N 249.379 3.641 30 20 BHED C=CCC[C@H](CC)N[C@@H](C)c1ccc(C#N)cc1 531695423 TUOQJKMMCJKCND-BBRMVZONSA-N 242.366 3.954 30 20 BHED CC(C)(C#N)CCN1CCCc2cccc(F)c21 538466729 OKROCXAJWNDUAQ-UHFFFAOYSA-N 246.329 3.518 30 20 BHED C=CCCCCN1CC[C@H]1c1ccccc1 569795998 BWLDIDCQZGGKRJ-HNNXBMFYSA-N 215.340 3.790 30 20 BHED CCCC(C)(C)C(=O)Nc1cccc(CC#N)c1 593169883 QTKPBUGPURTSPI-UHFFFAOYSA-N 244.338 3.517 30 20 BHED CCCCCCCCCN(C)CC1(C)COC1 743843536 WINSOHLVPXBOSQ-UHFFFAOYSA-N 241.419 3.705 30 20 BHED C#CCCN1CCCCC[C@@H]1c1ccccc1 760819610 SXBZOBWKZDYGPM-MRXNPFEDSA-N 227.351 3.627 30 20 BHED CCCCCCCn1nccc1-c1ccncc1 764547279 IUJVVZUXGXYKOF-UHFFFAOYSA-N 243.354 3.916 30 20 BHED CCC(COC)=NNc1ccc(C(C)(C)C)cc1 779825170 MGMPSKYKPSODDQ-UHFFFAOYSA-N 248.370 3.808 30 20 BHED C[C@H](C(=O)OCCCC(C)(C)C#N)C(C)(C)C 783681554 JMJKJXNKKUEADN-LLVKDONJSA-N 239.359 3.542 30 20 BHED COCCCON=C1CCC[C@@H]1CCC(C)C 795051080 MMCUVQNRGAGBNS-CYBMUJFWSA-N 241.375 3.632 30 20 BHED COCCC(C)=NNc1ccc(C(C)(C)C)cc1 814900642 BTGGKGXAPPXXTC-UHFFFAOYSA-N 248.370 3.808 30 20 BHED CCCC(=NNC1CCCCC1)c1ccccn1 814910480 XQIOQAMNCKJQRM-UHFFFAOYSA-N 245.370 3.508 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1ccc(CF)cc1 831732360 IAUNEENKCWOTJN-GFCCVEGCSA-N 249.329 3.631 30 20 BHED C=CCCCCNc1ccc2c(c1)C[C@H](OC)C2 834576446 WXJUKBLJJWYELP-MRXNPFEDSA-N 245.366 3.568 30 20 BHED C#CCCCCCCN[C@H](C)CC(F)(F)F 877384260 XGROOXCAFHNNOO-LLVKDONJSA-N 235.293 3.501 30 20 BHED N#Cc1c(F)cccc1SC/C=C/Cl 1166246144 BEXAAJVZMIQFDQ-GORDUTHDSA-N 227.691 3.542 30 20 BHED C=C(Cl)CN[C@@H](CCCC)C1CCC1 1642668610 RJXRZSPPSAOLJG-LBPRGKRZSA-N 215.768 3.687 30 20 BHED C=C(Cl)CN1CC[C@H](C(C)(C)C)C[C@H]1C 1645971722 XDPFQJOIJVVHPP-NEPJUHHUSA-N 229.795 3.886 30 20 BHED C[C@H](CCc1ccco1)Nc1cccc(C#N)c1 35451147 IAKBEZJMBYHPGA-GFCCVEGCSA-N 240.306 3.584 30 20 BHED Cc1cccc(/C=C/C(=O)c2cccc(C#N)c2)c1 59270203 DQFUIHGXMFWTDN-CMDGGOBGSA-N 247.297 3.763 30 20 BHED Cc1cc(C)c(C)c(Oc2cccc(C#N)n2)c1 81620989 HHZJFSRZVFNRGW-UHFFFAOYSA-N 238.290 3.671 30 20 BHED C#CCNc1cccc(COC2CCCCC2)c1 85274966 VAHBSUSVOZBZRI-UHFFFAOYSA-N 243.350 3.581 30 20 BHED Cc1ccc([C@@H]2CCCCN2CCCC#N)cc1 124559051 IHVIUFRECJVPMU-INIZCTEOSA-N 242.366 3.826 30 20 BHED C=CCC[C@@H](C)Nc1ccc(NC(C)=O)c(C)c1 130626030 FTLSOGOWMFMTRL-GFCCVEGCSA-N 246.354 3.720 30 20 BHED C[C@@H](NC[C@H](C)C(C)(C)C)c1ccc(C#N)cc1 162732782 JPKTUSJKXWFRIU-QWHCGFSZSA-N 244.382 3.891 30 20 BHED CCCCCCC[C@H](C)N[C@@H]1C[C@H]2CC[C@@H]1O2 185525051 MGNHKKHFSWVVBI-YJNKXOJESA-N 239.403 3.645 30 20 BHED N#C[C@H]1CCC[C@H](NCc2cccc(Cl)c2)C1 185759183 SONUTDRIZHXVRA-FZMZJTMJSA-N 248.757 3.512 30 20 BHED CC(C)(C#N)CCCSCC[C@H]1CCCO1 190147799 BAFOMQDVCJPVKC-GFCCVEGCSA-N 241.400 3.619 30 20 BHED CCCCCCCCC[S@](=O)CC 196770386 XFAMTNWWXPLXGK-CYBMUJFWSA-N 204.379 3.506 30 20 BHED C=C(Cl)CN[C@@H]1CC[C@@H]2CCCC[C@H]2C1 252733358 YZSGKEWVPBJFGK-RWMBFGLXSA-N 227.779 3.687 30 20 BHED C[C@H](c1ccccc1)N(CCCCC#N)C1CC1 263827302 SXLRQZOVOKFNRU-CQSZACIVSA-N 242.366 3.906 30 20 BHED C[C@@H]1CC(C)(C)CC[C@H]1Nc1ccc(C#N)cn1 301512854 DMDUJXKPBZVGRK-DGCLKSJQSA-N 243.354 3.580 30 20 BHED C=CCCC[C@H](C)N[C@@H]1CCC12CCC2 308897180 ZUUGEGSRSDXJDO-QWHCGFSZSA-N 207.361 3.654 30 20 BHED C=CCCCNc1ccc2nc(C)sc2c1 309864312 NVBYGGAPLIMNMR-UHFFFAOYSA-N 232.352 3.983 30 20 BHED C=C[C@H](C)NCc1csc(Cl)c1Cl 336657015 QRQBGPOOOKIBFD-LURJTMIESA-N 236.167 3.719 30 20 BHED Cc1cc([C@H](C)NCCCCC#N)cc(C)c1F 341946840 RNFVCIGOPYXVME-ZDUSSCGKSA-N 248.345 3.787 30 20 BHED CC[C@@H](NCc1cccc(C#N)c1)C1CCCC1 387536234 LFXBEGUPAZEKHZ-MRXNPFEDSA-N 242.366 3.617 30 20 BHED CN(CCCCC(C)(C)C#N)C1CC(C)(C)C1 395472423 KUZUROMZQUMNAN-UHFFFAOYSA-N 236.403 3.827 30 20 BHED C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[C@@H]1C1CC1 412471406 HRBUFSZCISXFDR-SQWLQELKSA-N 249.398 3.531 30 20 BHED C=CCCCC[C@@H](C)NC[C@@H]1CC12CC2 417345298 XNRXVXCEXDUDGL-OLZOCXBDSA-N 207.361 3.511 30 20 BHED CC[C@@H](C)CN(CC)CC#Cc1ccc(F)cc1 437580285 UEJZWHJPVDHWGT-CQSZACIVSA-N 247.357 3.545 30 20 BHED CC#CCCOc1ccc(F)c(C(F)(F)F)c1 442836748 OWLHZAJCWONYJK-UHFFFAOYSA-N 246.203 3.637 30 20 BHED CC[C@H]1CCC[C@@H]1NCc1ccc(C#N)c(C)c1 443999230 CALRZNXMSQZTCQ-HOCLYGCPSA-N 242.366 3.535 30 20 BHED N#C[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3CCC[C@H]3C2)C1 447561370 IAYBBEBQOPNTCH-RBGFHDKUSA-N 246.398 3.627 30 20 BHED CC[C@H]1CCC[C@@H]1CNCc1cc(C#N)cs1 449433132 KWMHZGMZKHPWBT-QWHCGFSZSA-N 248.395 3.536 30 20 BHED C=CCCC[C@H](C)NC(=O)C1=CC[C@H](C)CC1 455996057 OTCTWJHNPMXLMB-STQMWFEESA-N 235.371 3.594 30 20 BHED C=CC[C@H](C)NCCc1ccc(C(C)C)cc1 469185966 ZFQHSWOEPFAGCK-AWEZNQCLSA-N 231.383 3.907 30 20 BHED C=CCC(C)(C)CNC(=O)[C@H](C)C(CC)CC 489979882 PYJBEJFXMKTSRR-GFCCVEGCSA-N 239.403 3.777 30 20 BHED N#CCCCOc1c(F)cc(Cl)cc1Cl 592355393 CJQFERRGRSZYRW-UHFFFAOYSA-N 248.084 3.815 30 20 BHED C=CCN(C(=O)C[C@H]1CCC[C@H]1C)C(C)(C)C 622944992 NZPBPCWGTCSUPZ-CHWSQXEVSA-N 237.387 3.626 30 20 BHED CCC(=NOCc1cccnc1)C1CCCCC1 746588958 VNKKDSREPZCHSP-UHFFFAOYSA-N 246.354 3.945 30 20 BHED C=CCCSCc1ncc(C(C)C)o1 754250664 ZZNIMIISSOLVDD-UHFFFAOYSA-N 211.330 3.607 30 20 BHED CCCCCCCCNC(=O)N(C)CCCC 754865542 OVHOFRVWCKWBJZ-UHFFFAOYSA-N 242.407 3.788 30 20 BHED C#CC[C@H](/N=C/c1ccccc1O)c1ccccc1 756845120 BGKBRLJCJHGRBQ-HZGBGQKMSA-N 249.313 3.576 30 20 BHED CCCCCCCC(=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 761566746 ZSIPQTDPTCKOGB-DDHJSBNISA-N 249.398 3.508 30 20 BHED C#Cc1cccc(NC(=O)/C=C/C(=C/C)CC)c1 764654279 LPOGEIANUVHMPP-ABDBBEBTSA-N 239.318 3.519 30 20 BHED CC(C)[C@H]1CCCCC1=NOCC(F)(F)F 764845179 QXRNHXLGDFSAID-SECBINFHSA-N 237.265 3.768 30 20 BHED CC[C@H](C)NN=Cc1cc(Cl)ccc1Cl 790183484 SNTKRANIYNWFJD-QMMMGPOBSA-N 245.153 3.715 30 20 BHED FCC[C@H]1CCCC1=NNc1ccc(F)cc1 794861952 HJKBGLCXAXVHRC-SNVBAGLBSA-N 238.281 3.753 30 20 BHED CCC(Cc1ccccc1)=NOC/C=C/Cl 811669757 IUQQYJPGFSBJNF-OBASGXHRSA-N 237.730 3.764 30 20 BHED C1CC(ON=C2CCC[C@@H](C3CC3)C2)C1 812236518 OKEVZZWTPPKHEV-LLVKDONJSA-N 207.317 3.512 30 20 BHED CCCC[C@@H]1CCCC1=NOCCOC(C)C 812239851 BPFOCQDSSHONEX-CYBMUJFWSA-N 241.375 3.774 30 20 BHED C[C@@H]1CCC[C@@H](C=NOCCC2CC2)C1 814246276 YKXQKOQRJNZWJJ-DGCLKSJQSA-N 209.333 3.615 30 20 BHED CCCCCCCN1CCC[C@@H]1c1ncccn1 878975175 AMKHHHTUGAOMDD-CQSZACIVSA-N 247.386 3.584 30 20 BHED Cc1ccc(NN=C[C@H]2C[C@@H]2C)cc1Cl 1319265771 CKYTVQLVECQILB-VHSXEESVSA-N 222.719 3.702 30 20 BHED CC[C@H](NC/C=C\C1CC1)c1ccc(C#N)cc1 1324239923 MRMPUWZMMZRIKY-QGZUEGPWSA-N 240.350 3.565 30 20 BHED C=C(CC)C(=O)N1CCc2sccc2[C@H]1CC 1348518193 WWYQRCAKFRNMBM-GFCCVEGCSA-N 249.379 3.550 30 20 BHED C[C@@H]1CCCCN(CCC2(C#N)CCCCC2)C1 1473396136 UEPGLCAZLUSWPQ-OAHLLOKOSA-N 248.414 3.973 30 20 BHED CC1(C)CCC[C@@H](CNc2cccc(C#N)n2)C1 1559212961 AHOCXBPUKFMUKH-GFCCVEGCSA-N 243.354 3.582 30 20 BHED CC(C)CC1(CNc2cccc(C#N)n2)CCC1 1651644921 WJWIIHOGUUHGBT-UHFFFAOYSA-N 243.354 3.582 30 20 BHED C=CCCCN[C@H](C)c1ccccc1Cl 70591994 JUDARWHYKCKJEG-LLVKDONJSA-N 223.747 3.957 30 20 BHED CCCCCCCC[C@H](O)CCCCC(=O)O 85913299 XQMCCPUZOKUEHG-ZDUSSCGKSA-N 244.375 3.743 30 20 BHED C=CCCC(=O)Nc1ccc(O[C@@H](C)CC)cc1 102239535 AVRZPCKJBFYTGY-LBPRGKRZSA-N 247.338 3.769 30 20 BHED C=CCCN[C@H](c1ccccc1)C(C)C 125392579 VUBAVVTZVWYVPG-AWEZNQCLSA-N 203.329 3.549 30 20 BHED C=CCC[C@@H](C)N[C@H](C)Cc1ccc(C)s1 126843781 JJOKAVOEWWRHFT-VXGBXAGGSA-N 237.412 3.932 30 20 BHED Cc1ccc(CSCCCC#N)cc1C 158917558 DDMTWICDKRFVTL-UHFFFAOYSA-N 219.353 3.840 30 20 BHED C[C@H](CN[C@H](C)c1ccc(C#N)cc1)C(C)(C)C 162732892 JPKTUSJKXWFRIU-CHWSQXEVSA-N 244.382 3.891 30 20 BHED C=CC[C@H](C)N[C@H]1CCC[C@H](C(F)(F)F)C1 169122464 RLBUMMOUOAEOST-DCAQKATOSA-N 235.293 3.662 30 20 BHED C=CCCCC(=O)N(C)[C@H]1CCCC[C@@H]1CC 176906635 FEUGOAMBOFQLHE-KBPBESRZSA-N 237.387 3.770 30 20 BHED C=C(C)CN(C)[C@@H](C)c1ncc(C(C)(C)C)o1 181323638 VSKDVOXLTGLRHA-NSHDSACASA-N 236.359 3.541 30 20 BHED CC(C)(C#N)CCSCc1cccc(F)c1 276581387 GXEJZHFMEAVNTH-UHFFFAOYSA-N 237.343 3.999 30 20 BHED C=CCC[C@H](C)Nc1ccc(F)c([C@@H](C)O)c1 289774582 RJUCWHDEMISLPG-WDEREUQCSA-N 237.318 3.646 30 20 BHED C=CCCCSCC(F)(F)C(F)F 308182632 HICJEHIJJJBZPU-UHFFFAOYSA-N 216.243 3.586 30 20 BHED CCCCCCCn1cc(Cl)cn1 308471961 KUUZYYBHUOOTNH-UHFFFAOYSA-N 200.713 3.507 30 20 BHED C[C@H]1CCCC[C@]1(C)NCc1cccc(C#N)c1 308714740 NXJFJKBWAMSZBS-BBRMVZONSA-N 242.366 3.617 30 20 BHED C=CCC[C@H](C)Nc1cc(C2CC2)ccn1 309739472 HKJUASSMJWWPRM-NSHDSACASA-N 216.328 3.726 30 20 BHED C=CCCCC(=O)N1CCc2cc(Cl)ccc21 341710731 OIQYCNBIFLXCOV-UHFFFAOYSA-N 249.741 3.585 30 20 BHED C=CCSCCCCC1CCOCC1 356937061 OGNOCIYNHVIRAY-UHFFFAOYSA-N 214.374 3.503 30 20 BHED C=CC[C@@H](CC)NC[C@H](C)c1ccccc1 381311403 LPQGGNNOWWUOEZ-DZGCQCFKSA-N 217.356 3.734 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1cccc(OC)c1 393772974 VFYKKDBXFQKDPI-GXTWGEPZSA-N 233.355 3.701 30 20 BHED CC[C@@]1(C)CCN(c2ccc(C#N)c(Cl)c2)C1 399346634 YCLSLZKDRXKXBU-AWEZNQCLSA-N 248.757 3.838 30 20 BHED N#CC1(CCN[C@@H]2CCC[C@@H]3C[C@@H]32)CCCCC1 411818505 KTVJPQWRVLKTBU-QLFBSQMISA-N 246.398 3.629 30 20 BHED CO[C@H](CSc1cccc(C#N)c1)CC(C)C 416918811 JHXSWHJETFLCNX-ZDUSSCGKSA-N 249.379 3.711 30 20 BHED CC[C@H](CS[C@@H](C)c1cccc(C#N)c1)OC 419470452 YAHVAYDOXQPOEM-SMDDNHRTSA-N 249.379 3.777 30 20 BHED C[C@@H]1CC[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1 437045184 JQQVLWUIUNPLON-JTNHKYCSSA-N 246.329 3.537 30 20 BHED CCCOc1ccccc1N[C@@H]1CC[C@H](C#N)C1 442849275 BRARBLJVOVTWDS-QWHCGFSZSA-N 244.338 3.580 30 20 BHED CC(C)N(Cc1ccccc1)CC1(C#N)CCC1 450257062 JKSIKMHLTSKSJX-UHFFFAOYSA-N 242.366 3.591 30 20 BHED CC#CCCSc1nc2ccccc2n1CC 462368303 MBXQWIRFKVVHSM-UHFFFAOYSA-N 244.363 3.562 30 20 BHED C=C(C)CCc1noc(C2CC3(CCC3)C2)n1 515844258 WYAUKWRKCUCZJQ-UHFFFAOYSA-N 232.327 3.626 30 20 BHED C=CCCCCCN(C)CC1(SC)CC1 578818877 UTGQZMJBUFQLRT-UHFFFAOYSA-N 227.417 3.560 30 20 BHED C=CCCN[C@H](C)Cc1ccc(F)cc1Cl 658116123 ZEJPQBGOUAYSEI-SNVBAGLBSA-N 241.737 3.576 30 20 BHED C=C(C)CN(CC)Cc1cc2ccccc2[nH]1 684019021 GRBXFRAEDNLIKX-UHFFFAOYSA-N 228.339 3.566 30 20 BHED C[C@H]1CC(/N=C/c2ccccc2O)C[C@H](C)C1 739425060 BHIHMZMBMFTSIY-DYBVGFEPSA-N 231.339 3.636 30 20 BHED CCCCCC[C@H](C)NN=C(COC)C(C)C 743450820 QZYMBHYWHBXEGD-ZDUSSCGKSA-N 242.407 3.593 30 20 BHED C#CCCCN(Cc1ccc(C)c(C)c1)C1CC1 766903151 QNDVELUZRNMALG-UHFFFAOYSA-N 241.378 3.681 30 20 BHED C=CCC[C@@H](Nc1cccc(OC)c1F)C1CC1 769984498 IANYJNMLRSDXOU-GFCCVEGCSA-N 249.329 3.991 30 20 BHED CC1(C)CCC(=NNc2ccccc2)C1 783771665 GWGRKZSDRCVPNT-UHFFFAOYSA-N 202.301 3.665 30 20 BHED O=C(/C=C/c1ccsc1Cl)c1ccncc1 790211616 OLGCEHIVKYAAOD-OWOJBTEDSA-N 249.722 3.693 30 20 BHED CC1(CNN=C2CCC[C@H]2CCF)CCCC1 793088937 BALHDVIIDABYMD-LBPRGKRZSA-N 240.366 3.672 30 20 BHED CC(C)(C#N)[C@H]1CCCC1=NOC1CCCC1 814895126 UVPJESNVGWIXNU-LBPRGKRZSA-N 234.343 3.651 30 20 BHED C=C(Cl)CN[C@@H](C)Cc1coc2ccccc12 824098283 KCXJOMACJHXSLV-NSHDSACASA-N 249.741 3.706 30 20 BHED CC(=NNc1ncccc1F)[C@H]1CCCC[C@H]1C 834978098 VQZTYPWTVFOMPH-PWSUYJOCSA-N 249.333 3.835 30 20 BHED CC(C)ON=C1CC(c2cc(F)cc(F)c2)C1 834999384 AGCHLZGLIGSZEB-UHFFFAOYSA-N 239.265 3.623 30 20 BHED CC(C)c1ccc(NN=C[C@@H]2C[C@H]2C)cc1 835018376 MRACLPYPTHAYIJ-YPMHNXCESA-N 216.328 3.864 30 20 BHED C[C@H](NN=C1CCC(F)(F)CC1)C(C)(C)C 842533583 OYBVTQVGHHFUPX-VIFPVBQESA-N 232.318 3.576 30 20 BHED C=CCCC(CC)=NNc1ccc(Cl)cn1 853437871 VYTJJJIDMIMZFJ-UHFFFAOYSA-N 237.734 3.879 30 20 BHED CC(C)C(N[C@H](C)CC(C)(C)C#N)C(C)C 925566475 IEUVKCZKWINAIQ-GFCCVEGCSA-N 224.392 3.585 30 20 BHED C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CC(C)C 931280713 QQDYLYZINJNTCU-UONOGXRCSA-N 237.387 3.626 30 20 BHED C=C(C)CCC(=O)Nc1cccc(Cl)c1F 1262675046 VDOKRLKSADVISY-UHFFFAOYSA-N 241.693 3.774 30 20 BHED CCCCCCCCCNC(=O)[C@@H](C)CC 1322437452 VKUJCCYADCOORL-ZDUSSCGKSA-N 227.392 3.899 30 20 BHED CCC[C@H](C)c1nnc(-c2ccc(C#N)cc2)o1 1322503969 QJGFXUMTJCKTGC-JTQLQIEISA-N 241.294 3.512 30 20 BHED N#Cc1cc(Cl)ccc1SCC(F)F 1651842109 CCPNSTXIGJKWFT-UHFFFAOYSA-N 233.670 3.569 30 20 BHED Cc1ccc(NCc2ccccc2C#N)cc1F 20053816 DJYOZAZCQNIJCD-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C[C@@H]1CN(Cc2ccccc2C#N)c2ccccc21 61071795 HTHREIGAUBCDEL-CYBMUJFWSA-N 248.329 3.682 30 20 BHED CCCCCCCCCSc1nc(C)n[nH]1 103008955 OQJYIFHJQTUSQW-UHFFFAOYSA-N 241.404 3.956 30 20 BHED CCCCCCCNCc1cccc(COC)c1 103086180 LYBNLTZUEFXKQJ-UHFFFAOYSA-N 249.398 3.893 30 20 BHED C[C@@H]1CCCN(c2cc(Cl)ccc2C#N)CC1 110815263 LDJXSVCGABWCTM-LLVKDONJSA-N 248.757 3.838 30 20 BHED N#C[C@H](Sc1ccc(O)cc1)C1CCCCC1 115187393 KOMSOEAWRXTNIP-AWEZNQCLSA-N 247.363 3.957 30 20 BHED C=C(Cl)CN[C@@H](c1ccccc1C)C1CC1 131969234 RWZNUTMXBQLADA-CQSZACIVSA-N 235.758 3.788 30 20 BHED CCN(CCC#N)[C@@H]1CCc2c(Cl)cccc21 154852513 YTFZNWXHLLTLJF-CQSZACIVSA-N 248.757 3.563 30 20 BHED C#CCCCNC[C@H](CCC)c1ccccc1 182492089 PMTZDPSKQUKISI-INIZCTEOSA-N 229.367 3.573 30 20 BHED CCSc1cccc(CN[C@H](CC)CC#N)c1 186420094 UIWYUXGIMNGJJF-CYBMUJFWSA-N 248.395 3.580 30 20 BHED Cc1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)o1 209107830 HNNURAWAQSCYIW-XQRVVYSFSA-N 248.228 3.762 30 20 BHED C#CCCCN[C@@H](CC(C)C)c1ccccc1 226328981 YIMXVDZIMSMAMX-INIZCTEOSA-N 229.367 3.777 30 20 BHED CCCCCCC[C@@H](C)N[C@H]1CCSC1 231883869 KYWPNNYSTZPTBF-OLZOCXBDSA-N 229.433 3.831 30 20 BHED C[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CC[C@H]1C 249260085 HMXIBDOKDTYDMO-MGPQQGTHSA-N 242.366 3.597 30 20 BHED CCCc1ccccc1NC(=O)CC(C)(C)C#N 278550134 OFQMEWGJJWDHCB-UHFFFAOYSA-N 244.338 3.517 30 20 BHED C=C[C@H](Sc1ccc(C(C)C)cc1)C(=O)O 300828560 CBAIPMYXJABECC-LBPRGKRZSA-N 236.336 3.541 30 20 BHED Cc1nc(NCCCC2CC2)c(Cl)cc1C#N 310406957 OJPWAFGQWPFVJR-UHFFFAOYSA-N 249.745 3.517 30 20 BHED C=CCC(C)(C)C(=O)N1CC2(CCC2)[C@@H]1C(C)C 359189339 YKUDNYUKWVIASV-ZDUSSCGKSA-N 249.398 3.626 30 20 BHED CCN(CC(C)(C)C)CC(C)(C)CCC#N 361019120 XBZHQESQYPHNTM-UHFFFAOYSA-N 224.392 3.684 30 20 BHED C=C(C)CCN[C@@H](C)c1cc(C)ccc1OC 386784234 MYSATNODSQYDLP-ZDUSSCGKSA-N 233.355 3.620 30 20 BHED CCCCCCC[C@@H](C)NC[C@]1(C)CCOC1 397348528 GBTSWHHNKBHYHN-CABCVRRESA-N 241.419 3.752 30 20 BHED CC(C)OC1CC(Sc2cccc(C#N)c2)C1 412995268 CPDHXEXSQICOSU-UHFFFAOYSA-N 247.363 3.606 30 20 BHED CC(C)(C)CCSCC1(C#N)CCC1 419458681 DSBAZWSEUWVRHX-UHFFFAOYSA-N 211.374 3.850 30 20 BHED CC[C@H](F)CSCCCC(C)(C)C#N 442545263 ILNOJEYFYQQLLD-JTQLQIEISA-N 217.353 3.798 30 20 BHED C=CCCCCNC(=O)Nc1cc(C)cc(C)c1 473492461 AXGQBZOFDXVDEV-UHFFFAOYSA-N 246.354 3.781 30 20 BHED C=CCC(C)(C)CNC(=O)CC(C)(C)CC 489889365 WDBPRSFCJRPNOI-UHFFFAOYSA-N 225.376 3.531 30 20 BHED CCC(CC)CN(CC=C(C)C)CCC#N 531143693 TWACLODUAVJYSZ-UHFFFAOYSA-N 222.376 3.604 30 20 BHED C=CCCCCCN(C)C(=O)[C@H]1CC[C@H](C)C1 540656697 RAUVVOIZITYRIP-KBPBESRZSA-N 237.387 3.627 30 20 BHED CC[C@H]1CCC[C@@H](CN(CCC#N)C(C)C)C1 543395152 UDOKDSAYRASDPD-LSDHHAIUSA-N 236.403 3.827 30 20 BHED CCC(CC)N(CC)Cc1ccc(C#N)c(C)c1 570756509 AICJRUCQPUZKKN-UHFFFAOYSA-N 244.382 3.877 30 20 BHED CC[C@H](C)CCN[C@H](C)c1cccc(C#N)c1 594714108 XTFRXEZDMSKOQK-QWHCGFSZSA-N 230.355 3.645 30 20 BHED C=CCN(Cc1ccc(C#N)cc1C)C(C)(C)C 595765128 HIYJMQVJDNKMRT-UHFFFAOYSA-N 242.366 3.653 30 20 BHED N#Cc1ccc(CCSCCC2CC2)cc1 596358465 VWKFEKGEUXYMAB-UHFFFAOYSA-N 231.364 3.634 30 20 BHED C[C@H]1CCC[C@H]([C@H](C)NC[C@H](C)CCC#N)C1 602685532 ILJBPVLNCPAJIN-XGUBFFRZSA-N 236.403 3.731 30 20 BHED Cc1c(NC[C@@H](C)CCC#N)ccc(F)c1F 602695326 MLEVBMVYGQMNFU-VIFPVBQESA-N 238.281 3.625 30 20 BHED C=CCCN(C)[C@@H]1CCCc2ccccc21 606896526 YEXXIWCDNOOWIC-OAHLLOKOSA-N 215.340 3.572 30 20 BHED C=CCC1(NC(=O)[C@@H](C)[C@@H](C)CC)CCCC1 619111249 RSDRAFZUAQXQBC-STQMWFEESA-N 237.387 3.674 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H](C)c1ccccc1 620857728 HMWLGWSTGLEEOJ-ZDUSSCGKSA-N 245.366 3.651 30 20 BHED C=CCCC(C)(C)NC[C@H]1CC=CCC1 657805591 RKYMVDYRUGSADE-ZDUSSCGKSA-N 207.361 3.677 30 20 BHED CCCCCCCC(=O)NC[C@@H]1CC1(C)C 732796003 DVXPLAXFVFHPAP-LBPRGKRZSA-N 225.376 3.509 30 20 BHED CCCCCCCCSc1ncc[nH]1 742452915 FYCGYUXYPWVWLQ-UHFFFAOYSA-N 212.362 3.862 30 20 BHED CCCCCC=NNc1cnc2ccccc2n1 755683925 VXKAIVVRXZYCJA-UHFFFAOYSA-N 242.326 3.608 30 20 BHED CC(Cc1cccc(F)c1)=NNc1ccccc1 759178723 DLUUPVUZPMHHSN-UHFFFAOYSA-N 242.297 3.856 30 20 BHED C#CCCN1CCC[C@H]1c1ccc(Cl)cc1 760808473 KLPIKQICJIALRC-AWEZNQCLSA-N 233.742 3.500 30 20 BHED CC(C)CNN=C1C[C@H](c2ccccc2)C1(C)C 771565993 CBSNTMXMYPSUQO-CQSZACIVSA-N 244.382 3.802 30 20 BHED O=C(/C=C/c1ccccc1C1CC1)c1ccncc1 776188659 YUCUIVVNTPOMJI-BQYQJAHWSA-N 249.313 3.855 30 20 BHED CC[C@H]1CCCC1=NNc1cc(Cl)ccn1 777907613 XKSYMFQZDMILBS-VIFPVBQESA-N 237.734 3.713 30 20 BHED CCCCCCCN[C@H](CO)c1ccccc1C 782081252 JGGSOQVSVSXVBS-MRXNPFEDSA-N 249.398 3.588 30 20 BHED C[C@H](NN=C1CCC12CCCC2)C(C)(C)C 793115865 PTECGUBTJREAMT-NSHDSACASA-N 222.376 3.721 30 20 BHED C=CCC(C)(C)C(=O)OCCCc1ccccc1 796456196 YONNKVMBQWRTIX-UHFFFAOYSA-N 246.350 3.765 30 20 BHED CC(C)C[C@H](C)C=NNc1ccc([N+](=O)[O-])cc1 799105159 NIRQHEOGSDKBPU-NSHDSACASA-N 249.314 3.675 30 20 BHED C(CC1CCCCCC1)=NNc1ccccn1 799106086 VLXDHEIQTJBOSX-UHFFFAOYSA-N 231.343 3.840 30 20 BHED C=CCCCCCCNC(=O)[C@H](C)[C@@H](C)CC 805219852 YKRWIROKBHBNHG-UONOGXRCSA-N 239.403 3.921 30 20 BHED CC[C@H]1CCCC(=NOCCC2CC2)C1 814246199 VOGDJMYUDLNVJV-NSHDSACASA-N 209.333 3.759 30 20 BHED C=CCCCC(=O)OCC[C@@]1(C)C[C@@]1(F)Cl 822060826 XFQKCBYRSKJCNF-RYUDHWBXSA-N 248.725 3.591 30 20 BHED C=C(C)CCN[C@H](CC)c1ccc(C)cc1O 834882609 MMZKCRICPNRFFV-CQSZACIVSA-N 233.355 3.708 30 20 BHED C=C[C@H](OC(=O)[C@@H]1CC12CCC2)c1ccccc1 851451084 CAPAAWNOALTRTI-KBPBESRZSA-N 242.318 3.647 30 20 BHED C=C[C@@H](OC(=O)[C@H]1CC12CCC2)c1ccccc1 851451087 CAPAAWNOALTRTI-ZIAGYGMSSA-N 242.318 3.647 30 20 BHED CCCCCC(C)=NNc1cccc(C)n1 863162113 UCVWOWVZEGIASS-UHFFFAOYSA-N 219.332 3.758 30 20 BHED C=CC[C@H](c1ccccc1)c1nnc(C(C)C)o1 1331902754 UIZWTNUMGQGVDB-CYBMUJFWSA-N 242.322 3.901 30 20 BHED Cc1ccc(/C=C\C(=O)c2ccccc2)s1 33473015 UYUZTWAUXXENAV-KTKRTIGZSA-N 228.316 3.953 30 20 BHED C[C@@H]1CC[C@@H](Nc2ccc(C#N)c(Cl)c2)C1 70760709 GWLSMRKUPQATCR-MWLCHTKSSA-N 234.730 3.812 30 20 BHED C[C@H]1CC(Nc2ccc(CC#N)cc2)C[C@H](C)C1 84465578 WNJJZQNKTGCPJI-CHWSQXEVSA-N 242.366 3.989 30 20 BHED C=CCCc1csc(-c2ccccc2OC)n1 90065488 RAIMUVBAACYUPR-UHFFFAOYSA-N 245.347 3.937 30 20 BHED C=C(C)CSCCCOc1cccc(C#N)c1 125292147 MBGVMOQTKSJBJJ-UHFFFAOYSA-N 247.363 3.636 30 20 BHED C#CCCCN[C@@H](CCC)c1ccc(OC)cc1 178053766 JZQLKUOQPGEJDD-INIZCTEOSA-N 245.366 3.539 30 20 BHED C=C(C)CN[C@@H](CC)c1ccc(F)cc1F 179638510 USSGSOWNEJYUCS-ZDUSSCGKSA-N 225.282 3.582 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cc(C)ccc1OC 191795943 PRIYPTYXLNCTCG-OAHLLOKOSA-N 247.338 3.544 30 20 BHED CCCCCCCCSc1nnc(C)[nH]1 192450487 DPWQVAPDJXYQHD-UHFFFAOYSA-N 227.377 3.566 30 20 BHED CC(C)[C@@H](C)Sc1ccc(C#N)cc1F 232816028 MIRFTCREGPVWLK-SECBINFHSA-N 223.316 3.834 30 20 BHED C=CCCCCNC(=O)Nc1cscc1C 274827881 QEILLBGLIFKMSM-UHFFFAOYSA-N 238.356 3.534 30 20 BHED C=CCCCCCCN[C@@H](C)c1cc(C)on1 290758628 RIWCHWKVJWXGAK-ZDUSSCGKSA-N 236.359 3.770 30 20 BHED CC(F)(F)CCNc1cc(Cl)ccc1C#N 294225850 NYCPHCFCEBLONA-UHFFFAOYSA-N 244.672 3.669 30 20 BHED C=CCCCCNCc1sccc1Cl 308512674 STTHVZKOJRDLIS-UHFFFAOYSA-N 229.776 3.847 30 20 BHED C=CCCN[C@@H](CCC=C)c1ccccc1 309409239 XRGKZGMQIMZLOL-HNNXBMFYSA-N 215.340 3.860 30 20 BHED C=CC[C@@H](C)N[C@H](C)C1CCC(F)(F)CC1 309413014 IVJZZNMKVMHLME-GHMZBOCLSA-N 231.330 3.755 30 20 BHED C=CC[C@@H](CC)NCc1cc(C)cc(C)c1 309457224 MWMCHQNFVXGINS-OAHLLOKOSA-N 217.356 3.748 30 20 BHED CC[C@]1(C)CCN(CCCCC(C)(C)C#N)C1 310044581 BWNVMZNLVYAKCP-OAHLLOKOSA-N 236.403 3.828 30 20 BHED C=C[C@@H](C)NCc1csc(Cl)c1Cl 336657025 QRQBGPOOOKIBFD-ZCFIWIBFSA-N 236.167 3.719 30 20 BHED CCN(CC[C@H](C)F)[C@@H](C)c1ccc(C#N)cc1 351843829 IROYQYILMSHRTL-STQMWFEESA-N 248.345 3.689 30 20 BHED Cc1ccc([C@H](C)NCC2(C#N)CCC2)cc1C 450668625 OFXIVLYYCHXPAR-AWEZNQCLSA-N 242.366 3.648 30 20 BHED C=CCC[C@@H](CC)NCC1(CC)CCOCC1 462117511 CCOQMERXKXBBCT-CQSZACIVSA-N 239.403 3.528 30 20 BHED C=CCC[C@H](CCC)N[C@@H](C)CC(C)(C)OC 462118007 NKJATCFQEYXVOL-KBPBESRZSA-N 241.419 3.915 30 20 BHED C=CCC[C@@H](CCC)NCC1(COC)CCC1 502368215 FKZSXLXHPLUGNF-CQSZACIVSA-N 239.403 3.528 30 20 BHED C=CCN(C(=O)CC1CCCCCC1)C1CC1 540132163 OFGLNCMIUIJDRA-UHFFFAOYSA-N 235.371 3.524 30 20 BHED C=CCCC(=O)Nc1cccc(O[C@H](C)CC)c1 549124603 FUAVKTUHHLSDSY-GFCCVEGCSA-N 247.338 3.769 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)c1cnn(CC)c1 553104001 GZSNKHODCWZSID-UONOGXRCSA-N 249.402 3.689 30 20 BHED CC(C)=CCSCCOc1ccc(C#N)cc1 578813543 VMWXOHUWBGJDIM-UHFFFAOYSA-N 247.363 3.636 30 20 BHED Cc1ccc(-c2cccc(C3(C#N)CC3)c2)o1 592989062 PUBHQPGQKPIDAN-UHFFFAOYSA-N 223.275 3.810 30 20 BHED CCCC[C@@H]1CCC[C@@H]1Nc1cccc(C#N)n1 609892602 NHHKVZHFWLGWCR-OCCSQVGLSA-N 243.354 3.724 30 20 BHED C=CCC1(C(=O)N2CCC[C@@H]3C[C@H]32)CCCCC1 650074820 KPYZELSDOAGHAJ-ZIAGYGMSSA-N 247.382 3.524 30 20 BHED C=CCCOC(=O)[C@@H](CCC)c1ccccc1 729073369 UNWUGKVNBZKFHQ-AWEZNQCLSA-N 232.323 3.690 30 20 BHED C=C(C)CCOC(=O)[C@H](c1ccccc1)C(C)C 744304508 QJVFPLQZFLOVOF-HNNXBMFYSA-N 246.350 3.936 30 20 BHED CCCCCCCSCc1nccc(C)n1 755424750 RKLBXAOFSZWKMM-UHFFFAOYSA-N 238.400 3.989 30 20 BHED C[C@H](CC=NNc1ccccn1)c1ccccc1 755520274 VLKFBGRJWUGDIJ-CYBMUJFWSA-N 239.322 3.673 30 20 BHED CC(=NNc1cc(C)ccc1F)C1CCC1 759664665 KYAAPWMWFFQIIQ-UHFFFAOYSA-N 220.291 3.722 30 20 BHED Cc1cc(C)cc(NN=Cc2[nH]c(C)cc2C)c1 760232570 GJBCERXQWXOLJP-UHFFFAOYSA-N 241.338 3.694 30 20 BHED Cc1ccc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 762411258 PQFXVTBSFREVAO-IHRRRGAJSA-N 228.339 3.829 30 20 BHED CCCCNN=C1C[C@H](c2ccccc2)C1(C)C 768483123 MIQUNIYFUCCDDY-CQSZACIVSA-N 244.382 3.946 30 20 BHED C[C@H](NCCCCC#N)c1cc2ccccc2[nH]1 775630352 YZDRFRMRMBWCEL-LBPRGKRZSA-N 241.338 3.512 30 20 BHED C#CCCCN[C@@H](CC)C(C)(C)c1ccccc1 776024272 POSOBGGASKVUKK-INIZCTEOSA-N 243.394 3.746 30 20 BHED Cc1cccnc1NN=C1CC[C@H](C)[C@H](C)C1 790185194 DKUHEJORKHUCMS-CMPLNLGQSA-N 231.343 3.614 30 20 BHED CCCCCCCCCN1CCc2n[nH]cc2C1 792264516 QDRYKHKHLMNRGG-UHFFFAOYSA-N 249.402 3.518 30 20 BHED C=CCCCCCCCNC[C@H]1CCCOC1 810160693 PSHYWEBSSCNJEP-OAHLLOKOSA-N 239.403 3.529 30 20 BHED C[C@@H]1CCC(=NOC/C=C\Cl)[C@H](C)C1 811668483 GRZSIJJKVGHBEN-VKHKWTTCSA-N 215.724 3.568 30 20 BHED c1ccc([C@@H]2CCCC2=NOC2CCC2)cc1 812237398 YCNOWDLUZFSGFY-AWEZNQCLSA-N 229.323 3.879 30 20 BHED C=C(C)C(C)(C)C(=O)OCc1ccc(C)s1 820237469 AQJSHXXJDCDPSJ-UHFFFAOYSA-N 238.352 3.702 30 20 BHED C=C[C@H](CC)CC(=O)N1CC[C@@H](C2CCCC2)C1 823090973 FZMSYILBPNQIQU-UKRRQHHQSA-N 249.398 3.627 30 20 BHED C=CCCC[C@H](C)NC(=O)c1ccc(CF)cc1 831732361 IAUNEENKCWOTJN-LBPRGKRZSA-N 249.329 3.631 30 20 BHED C=C[C@](C)(CC)C(=O)N1CCCCCCCC1 836926001 YISRDEWDTCNPOY-OAHLLOKOSA-N 237.387 3.772 30 20 BHED CC(=NOCc1ccccc1)c1cccc(C)c1 839419909 VCHCQAMWSUURBU-UHFFFAOYSA-N 239.318 3.936 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc(Cl)cc1O 841749995 RYURQZRGYNRGKQ-UWVGGRQHSA-N 239.746 3.661 30 20 BHED C=C1CC(c2noc(-c3ccoc3CCC)n2)C1 896878303 WQCKRWFWKKYHND-UHFFFAOYSA-N 244.294 3.716 30 20 BHED COc1ccc(CCC(C)=NOC(C)(C)C)cc1 1320326280 ZAAMOEMAVAGWJO-UHFFFAOYSA-N 249.354 3.819 30 20 BHED CC(=NOC(C)(C)C)c1cc(F)ccc1F 1336226347 APRPVNIJGULGCC-UHFFFAOYSA-N 227.254 3.504 30 20 BHED Cc1ccc(Oc2cc(C)c(C#N)cn2)cc1C 1559052166 JXTCLOMUCNONML-UHFFFAOYSA-N 238.290 3.671 30 20 BHED C[C@H](CCC#N)CN1CCC(C(C)(C)C)CC1 1664321130 OUCSYIDMDPPBKU-CYBMUJFWSA-N 236.403 3.684 30 20 BHED C=CCN[C@H](C)c1cccc2ccccc12 19875794 VOHVDFZCBGKYSV-GFCCVEGCSA-N 211.308 3.676 30 20 BHED CCc1cccc(Nc2nc(C)ccc2C#N)c1 43399080 QSXHPDBBKBUUPM-UHFFFAOYSA-N 237.306 3.568 30 20 BHED C[C@H]1CCCC[C@H]1N(C)Cc1cccc(C#N)c1 55386633 ZLALQEINLGODHN-XJKSGUPXSA-N 242.366 3.569 30 20 BHED C[C@@H](C#N)Sc1ccc(Cl)c(Cl)c1 83867095 VEMKRFOLOQYSBY-LURJTMIESA-N 232.135 3.998 30 20 BHED C[C@@H]1CCC[C@@H](C)N1CCCC(C)(C)C#N 87608442 PBRNZVUVYHMULH-CHWSQXEVSA-N 222.376 3.579 30 20 BHED CCCCCCCCC(=O)N1CCC[C@H](C)C1 105304585 KVOASITZCMUEBS-AWEZNQCLSA-N 239.403 3.996 30 20 BHED Cc1ccccc1N(CCCC#N)C(C)C 105615264 QABXUSWMVZZITA-UHFFFAOYSA-N 216.328 3.514 30 20 BHED C=CCCC[C@@H](C)NC(=O)C1(C)CCCCC1 157365661 GEGCPMADYUTACS-CYBMUJFWSA-N 237.387 3.818 30 20 BHED CCC(CC)Nc1ccccc1O[C@H](C)C#N 162265835 HKAISDYJDDMTRN-LLVKDONJSA-N 232.327 3.578 30 20 BHED C=C(C)CCN[C@H]1CCCc2sccc21 168984997 XRWGEGDIWKWJFF-LBPRGKRZSA-N 221.369 3.681 30 20 BHED C[C@@H]1CC(C)(C)C[C@H]1Nc1ccc(CC#N)cc1 235317713 SCVOUHNJQYFTBF-IUODEOHRSA-N 242.366 3.989 30 20 BHED C#CCCCNc1ccccc1CC(F)(F)F 270947464 UMYGMPRSOVADEP-UHFFFAOYSA-N 241.256 3.617 30 20 BHED C[C@@H](NCCC1(C)CC1)c1ccc(C#N)c(F)c1 280124040 OMTCUUPNDRTHSW-LLVKDONJSA-N 246.329 3.538 30 20 BHED C=CCCCCCCNCc1ccc(C#N)cc1 310637990 RMRRLQBEZAHCHD-UHFFFAOYSA-N 242.366 3.784 30 20 BHED Cc1ccc(CNC2CCC(C)(C#N)CC2)s1 336221163 KOJYYNAZIVEXFX-UHFFFAOYSA-N 248.395 3.619 30 20 BHED CC(C)(C#N)CCNc1ccc2ccoc2c1 345360162 CQXLKAJZSKUNTQ-UHFFFAOYSA-N 228.295 3.785 30 20 BHED N#Cc1ccc(/C=C/C=C\c2ccccc2)nc1 349889978 CUCUZGVJVCIZMW-MVTUOISNSA-N 232.286 3.680 30 20 BHED CC(C)(C)CCCCNc1cccnc1C#N 357263182 OAUBGSALPHFTQO-UHFFFAOYSA-N 231.343 3.582 30 20 BHED C=CCCCCC[C@H](C)NC[C@H](C)SC 380248709 OUOKBOFZGCBKRY-STQMWFEESA-N 229.433 3.853 30 20 BHED N#Cc1c(F)cccc1CSCCCCF 427663512 OMOBCTXPVMLDBB-UHFFFAOYSA-N 241.306 3.680 30 20 BHED C=CCC[C@H](C)NC[C@H](OCC)c1ccccc1 446832844 AVKUHYGMOCOHNA-HOCLYGCPSA-N 247.382 3.709 30 20 BHED C=CCC(CC=C)C(=O)NC[C@@H]1CCCC[C@H]1C 467333834 DNZKPLSRYFPPIG-HIFRSBDPSA-N 249.398 3.697 30 20 BHED C=CCCC1(C(=O)N[C@H]2CCC[C@H](CC)C2)CC1 476089743 IGLJMGPITHSTIP-KBPBESRZSA-N 249.398 3.818 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C 539073594 OJFZPGMZJGDNER-RYUDHWBXSA-N 248.326 3.518 30 20 BHED N#Cc1cccc(-c2ccnc3ccccc23)c1 589962962 LMOIEJHJARKEAF-UHFFFAOYSA-N 230.270 3.773 30 20 BHED C[C@@H](CCC#N)CN(C)C[C@H](C)c1ccccc1 602459236 RYGSFFXKKMUDLS-GJZGRUSLSA-N 244.382 3.662 30 20 BHED CC[C@H](NC[C@H](C)CCC#N)c1ccc(C)cc1 602500492 ZLNFNSQDJXLIGW-ZBFHGGJFSA-N 244.382 3.976 30 20 BHED N#CCCOc1ccc2oc3ccccc3c2c1 603823284 QNJPOKXRZYHORI-UHFFFAOYSA-N 237.258 3.878 30 20 BHED COCc1ccc(SCCC(C)(C)C#N)cc1 610480571 AQEDVJJIBXFFSA-UHFFFAOYSA-N 249.379 3.865 30 20 BHED CCC(CC)NN=Cc1ccc(SC)cc1 734366286 LQWFIEUZJQDVDN-UHFFFAOYSA-N 236.384 3.521 30 20 BHED CC[C@@H]1CCCC(=NNCc2ccccc2)C1 734977852 KKQQKCOODFFZJN-CYBMUJFWSA-N 230.355 3.732 30 20 BHED CCCCCC[C@H](C)NN=Cc1cc(C)[nH]c1C 743450042 FFXBYPJUZBZTJV-LBPRGKRZSA-N 249.402 3.914 30 20 BHED N#Cc1csc(/C=C\C(=O)C2CCCCC2)c1 748440715 QRWUXJLLUCYARH-SREVYHEPSA-N 245.347 3.782 30 20 BHED CCCCCCC=NOCC(F)(F)F 755798109 QAEDMZLYEYBEJB-UHFFFAOYSA-N 211.227 3.522 30 20 BHED CCC[C@@H](C)C(CC)=NO[C@@H]1CCCCO1 755821166 BQLWFKWPPHILDH-DGCLKSJQSA-N 227.348 3.732 30 20 BHED CC(CCc1ccc(O)cc1)=NOC1CCCC1 774602372 JOKVVJYNQDZPEA-UHFFFAOYSA-N 247.338 3.660 30 20 BHED CC(C)=CCC[C@@H](C)CC=NNc1nccn1C 790301086 BJCOOQPXYYWQBS-CYBMUJFWSA-N 248.374 3.590 30 20 BHED CCON=C(C)Cc1ccccc1C(F)(F)F 794853019 MRPZBYMRHIGXKR-UHFFFAOYSA-N 245.244 3.660 30 20 BHED C=CCCCCNc1ccc2c(c1)C[C@@H](OC)C2 834576444 WXJUKBLJJWYELP-INIZCTEOSA-N 245.366 3.568 30 20 BHED CC1(C)CCC[C@@H]1NN=C1CCC(F)(F)CC1 842531437 GJDCMNNJCXROIB-NSHDSACASA-N 244.329 3.720 30 20 BHED C=C[C@@H](C)ON=CC[C@H](C)c1ccccc1 844621516 IJTBOKMNGJQRHJ-QWHCGFSZSA-N 217.312 3.757 30 20 BHED C=CCN(Cc1cccnc1Cl)C(C)(C)C 852554483 OLBWQKXPDRFVQM-UHFFFAOYSA-N 238.762 3.522 30 20 BHED C(=NOCC[C@@H]1CCc2ccccc21)C1CC1 853736066 KNMQGBJDPKCQCW-AWEZNQCLSA-N 229.323 3.519 30 20 BHED CCCC=NNc1ccccc1C(F)(F)F 864357988 CNDZPCZIXGYYDH-UHFFFAOYSA-N 230.233 3.903 30 20 BHED C=C1CCC(C(=O)Nc2c(C)cccc2F)CC1 889875950 FMGDKTMQCAUCME-UHFFFAOYSA-N 247.313 3.819 30 20 BHED Cc1cc(/C=C2\CCCC(C)(C)C2=O)cnc1F 899364127 YFKUADLYJPHIOT-XYOKQWHBSA-N 247.313 3.692 30 20 BHED Fc1cc(F)cc(NN=C[C@@H]2CC=CCC2)c1 920376102 BYTJARKACJHEEA-SNVBAGLBSA-N 236.265 3.719 30 20 BHED C=CC[C@H](C)NC(=O)c1cc(C(C)(C)C)oc1C 933037825 BARNDTANXRHRLP-JTQLQIEISA-N 249.354 3.580 30 20 BHED CCC(=NOC(C)(C)C)c1cccs1 1319804048 NFGKZZCBZBHQOX-UHFFFAOYSA-N 211.330 3.677 30 20 BHED CC[C@H](C)CC=NNc1ccc(C(C)(C)C)nn1 1328092287 YFTYYCCXAOJLOB-NSHDSACASA-N 248.374 3.608 30 20 BHED CC(C)CCC1CCN([C@@H](C)CCC#N)CC1 1657576991 JERPRXGUFCGFCG-AWEZNQCLSA-N 236.403 3.827 30 20 BHED Cc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1 8187160 ONRHRWDCYQMYNG-MDZDMXLPSA-N 238.286 3.597 30 20 BHED CCCCCCN[C@@H](C)c1cccc(C#N)c1 37232647 FSSBXSUTPHBWMT-ZDUSSCGKSA-N 230.355 3.789 30 20 BHED CC[C@H](C#N)Nc1ccc(C)c(C(F)(F)F)c1 44270019 LDRRNBBGMNLASK-SECBINFHSA-N 242.244 3.728 30 20 BHED C=C(C)CSc1nnc(-c2ccccc2C)o1 57652487 RXAINMFUBNODQY-UHFFFAOYSA-N 246.335 3.713 30 20 BHED CC(C)C[C@@H]1CCCCCN1CCCC#N 77364341 GZNLRESGEZLIOD-AWEZNQCLSA-N 222.376 3.581 30 20 BHED CCC(CC)N[C@H](CCC#N)c1ccccc1 90665858 OIEDEVGLPFVXJX-OAHLLOKOSA-N 230.355 3.810 30 20 BHED C=C(CC)COc1ccc(C(C)=O)cc1C 125416087 XBPKEDFOBIFJLU-UHFFFAOYSA-N 218.296 3.543 30 20 BHED C=C[C@H](C)NCc1ccc(Cl)cc1Cl 130483978 FHHNXEPVVOXSLJ-QMMMGPOBSA-N 230.138 3.658 30 20 BHED CC[C@H](C#N)OC(=O)CCCC1CCCCC1 176002248 QSOCDMZNVUACDW-CYBMUJFWSA-N 237.343 3.582 30 20 BHED CCC[C@@H](CN[C@H](CC)CC#N)c1ccccc1 184092559 YBZVENAIZRCQQQ-JKSUJKDBSA-N 244.382 3.852 30 20 BHED C[C@H](NC[C@@H]1CC[C@@H](C)C1)c1cccc(C#N)c1 230401925 IFLUJAIMVLJJJP-VNHYZAJKSA-N 242.366 3.645 30 20 BHED C=CCCN[C@@H](C)c1csc(Cl)c1 235500408 LXKIQRNWHNPMDS-QMMMGPOBSA-N 215.749 3.628 30 20 BHED Cc1cc(C)c([C@H](C)NCCCC#N)cc1C 273279830 QDAMBUQIMYCHHW-AWEZNQCLSA-N 230.355 3.566 30 20 BHED C[C@H](CCC#N)N1CCC[C@H]1c1ccsc1 297736741 CVRSJDODSDJRCA-YPMHNXCESA-N 234.368 3.577 30 20 BHED C=CCN[C@H](c1ccc(Cl)cc1)C(C)C 309020065 WMTHNTWBRCDZHA-ZDUSSCGKSA-N 223.747 3.813 30 20 BHED N#CCCCN1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 339259710 YAKFJMYAQNNAAQ-JONQDZQNSA-N 246.398 3.581 30 20 BHED CC(C)(C)[C@@H]1CCC[C@H](NCCCC#N)CC1 344332723 ZHZWWBXQCOBHNS-KGLIPLIRSA-N 236.403 3.875 30 20 BHED C=C(CC)CSCCCOCC(F)(F)F 358639124 YSVHLAXOTCLJHQ-UHFFFAOYSA-N 242.306 3.655 30 20 BHED C=CCCCCC[C@H](C)NCC(C)(C)C#N 381446537 GABQLJNNFRNUBE-ZDUSSCGKSA-N 222.376 3.651 30 20 BHED C=CCOc1ccc(CN[C@H]2CCC2(C)C)cc1 385031019 GTCSBWMHBIACKO-HNNXBMFYSA-N 245.366 3.530 30 20 BHED C=CCC[C@H](CC)NCc1ccc(C#N)c(F)c1 449737941 WFEKFNPIFXUSMY-AWEZNQCLSA-N 246.329 3.532 30 20 BHED CC[C@H](C#N)SCC1(C)CCCCC1 451020826 NJXKBFZCENPTTG-LLVKDONJSA-N 211.374 3.992 30 20 BHED C=CCC(CC=C)C(=O)N[C@]1(C)CCCC[C@H]1C 457251192 JQANAQKPRRKCSK-CZUORRHYSA-N 249.398 3.840 30 20 BHED C[C@H]1C[C@@H](C)C[C@H](CCN(C)C[C@@H](C)C#N)C1 464866662 DVMVELRCFHMAEA-LJISPDSOSA-N 236.403 3.540 30 20 BHED C=CCCN(C)[C@@H](C)c1cccc(C)c1 467288816 KBSUYYGRUWWSSW-ZDUSSCGKSA-N 203.329 3.564 30 20 BHED C=CCCCCCN[C@H](C)c1ccncc1F 558735039 YYJVEJNNTODNRN-GFCCVEGCSA-N 236.334 3.618 30 20 BHED C=CCCCN(CCOC)[C@H](C)c1ccccc1 568321566 SXRYXWGGEDYGQF-OAHLLOKOSA-N 247.382 3.662 30 20 BHED CCC(C)(C)[C@@H](C)NCCc1cccc(C#N)c1 582647944 PCSNNRVAWZSLJN-CYBMUJFWSA-N 244.382 3.515 30 20 BHED C=CCCCN1CCc2c(Cl)cccc2C1 606897132 FMQLGXRFGQJHMW-UHFFFAOYSA-N 235.758 3.664 30 20 BHED Cc1ccc(CN(CCC#N)CC(C)C)c(C)c1 611251988 AWGPUMQCKBGADQ-UHFFFAOYSA-N 244.382 3.675 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cscc1Cl 636437807 DAWNPPSJSIGESD-LLVKDONJSA-N 243.759 3.942 30 20 BHED C=CC[C@@H]1CCCN(c2ncccc2Cl)C1 664253631 PMDVSOXWIHNBNG-LLVKDONJSA-N 236.746 3.528 30 20 BHED CCOc1ccccc1N[C@H](C)CC(C)(C)C#N 695776235 CBVVBRQWABLONW-GFCCVEGCSA-N 246.354 3.826 30 20 BHED C=CCCOC(=O)c1csc2ccccc12 729073350 SEFCWFWIQZHWMW-UHFFFAOYSA-N 232.304 3.634 30 20 BHED C1=CC[C@@H](C=NNCCCc2ccccc2)CC1 729148295 SYAPMOYFDVTRSM-MRXNPFEDSA-N 242.366 3.551 30 20 BHED C=CCN(CC1CCCCC1)C(=O)/C=C/C=C/C 732643818 GZKYBVGFMRYZEQ-PPRDQHCASA-N 247.382 3.714 30 20 BHED C#CCOC(=O)[C@H](CCC)CC1CCCCC1 733608853 PXRHITALHGAJAM-CQSZACIVSA-N 236.355 3.550 30 20 BHED CCCCON=C(c1ccccc1)C(F)(F)F 751955528 LGQHOYYSXSTDSC-UHFFFAOYSA-N 245.244 3.770 30 20 BHED C=CCN(Cc1ccc(CC)s1)C(C)C 768547378 JXQHNBXZWLDVDD-UHFFFAOYSA-N 223.385 3.707 30 20 BHED CC(C)(C#N)CCCCOC(=O)C1=CCCCC1 768878428 LUTHJFQLNIMERY-UHFFFAOYSA-N 249.354 3.750 30 20 BHED CC(=NOC1CCCCC1)c1ccsc1 777460521 YCTYDBMPRYWMML-UHFFFAOYSA-N 223.341 3.821 30 20 BHED CCCCCCCC(=O)NCCC1(C)CC1 791809529 JEJLSRZETSYSMK-UHFFFAOYSA-N 225.376 3.653 30 20 BHED CC[C@H](C)CON=C1CCC(CSC)CC1 834981426 OSOQAMLOYQUIKW-PXYINDEMSA-N 243.416 3.958 30 20 BHED Cc1ccnc(NN=C2CCCCC[C@@H]2C)c1 844588014 XSXBBKQZIMITHW-LBPRGKRZSA-N 231.343 3.758 30 20 BHED C=CC[C@@H]1CCCCC1=NOC1CCC1 853347734 PABALOSKBQPMGC-LLVKDONJSA-N 207.317 3.678 30 20 BHED C=C1CC(c2noc(C3(F)CCCCC3)n2)C1 896876931 MKIUHWGEKMYVFD-UHFFFAOYSA-N 236.290 3.632 30 20 BHED CCCCCCCCSc1nccn1C 915790532 NXWWEDFJRWVPSK-UHFFFAOYSA-N 226.389 3.873 30 20 BHED C=C(Cl)CS[C@H]1CCOc2ccccc21 1307316597 QYELTZSPJRUIMX-LBPRGKRZSA-N 240.755 3.996 30 20 BHED CC1CCC(N[C@H](C)c2ccc(C#N)cc2)CC1 19917849 IMKWENMSMYECOJ-MFOWVQHXSA-N 242.366 3.788 30 20 BHED N#Cc1ccc(NC2CCCCCC2)cc1 19950767 BZJMYCWOXKTURZ-UHFFFAOYSA-N 214.312 3.693 30 20 BHED C=CCNc1ccc2c(c1)Cc1ccccc1-2 50521768 JEVVDNHUZMKFMJ-UHFFFAOYSA-N 221.303 3.856 30 20 BHED C=CCOc1cccc(NC(=O)CC(C)(C)C)c1 55714379 YMHFNEPFQYJHRG-UHFFFAOYSA-N 247.338 3.626 30 20 BHED C[C@H]1CCC[C@H](C)N(CC(C)(C)CCC#N)C1 93509362 FBVAXQOZEBAHRK-KBPBESRZSA-N 236.403 3.827 30 20 BHED CCCCOc1c(C#N)cnc2ccc(C)cc12 144929458 GQDGBULVKULQSR-UHFFFAOYSA-N 240.306 3.594 30 20 BHED CC#CCSCc1nc2ccccc2s1 166561815 QARQSDFZRYBRGE-UHFFFAOYSA-N 233.361 3.553 30 20 BHED CCCC[C@H]1CCC[C@@H]1NCCCCC#N 167259356 KPEIXNUDPHIGBG-KBPBESRZSA-N 222.376 3.629 30 20 BHED C=C(Cl)C[S@](=O)[C@@H](CC)c1ccccc1 172845773 RKNAZIDJNSIFTN-WFASDCNBSA-N 242.771 3.639 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cccc(C)c1F 188569241 SEHVPHIYNAGKQJ-CQSZACIVSA-N 235.302 3.675 30 20 BHED c1ccc2c(NN=C3CCCC3)ccnc2c1 196545866 PJRVTOJMQNYCQP-UHFFFAOYSA-N 225.295 3.577 30 20 BHED C=CCCCNC(C)(C)c1ccccc1F 309673030 KSOROSKDHMJUIX-UHFFFAOYSA-N 221.319 3.617 30 20 BHED C=C(CC)CNC(C)(C)c1cccc(C)c1 309829017 YAJWJKAIGJMFDW-UHFFFAOYSA-N 217.356 3.786 30 20 BHED Cc1ccccc1CNc1cccc(CC#N)c1 313448718 OCDQZEICXKWBML-UHFFFAOYSA-N 236.318 3.673 30 20 BHED CCC[C@@H](Nc1ccc(C#N)c(C)n1)C1CCC1 324953105 HLLKXPQKXFDEGS-CQSZACIVSA-N 243.354 3.642 30 20 BHED CC#CCN[C@H](CC1CCC1)c1ccccc1 344321736 JRHKUGVJYJWPGH-MRXNPFEDSA-N 227.351 3.531 30 20 BHED C[C@@H]1CC[C@@H]1Nc1cccc(OCCCC#N)c1 380784662 YCPUZYINNDKILE-DOMZBBRYSA-N 244.338 3.580 30 20 BHED CC(C)CC(CC(C)C)NCC1(CC#N)CC1 430760867 KFXHYJDMVGKIRK-UHFFFAOYSA-N 236.403 3.731 30 20 BHED N#CC1(CSc2ccc(F)cc2)CCC1 450584701 UZGHRTDIXUSGHE-UHFFFAOYSA-N 221.300 3.612 30 20 BHED C=CCC1(c2nc(-c3ccco3)no2)CCCC1 453041843 ZTJSEKFVUWXYBP-UHFFFAOYSA-N 244.294 3.718 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc(F)c(C)c1 468031142 UHBZHDUAIQCYBT-AWEZNQCLSA-N 235.302 3.675 30 20 BHED CCC[C@@H](C)Sc1cccc(C#N)c1 468648284 OKZYBZSFTNZMOM-SNVBAGLBSA-N 205.326 3.839 30 20 BHED C=CCOCCCSc1ccccc1C 475971047 SVIJRMICXJMXAO-UHFFFAOYSA-N 222.353 3.680 30 20 BHED C=C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1 488833320 UCGCLEFAHZNLHL-CYBMUJFWSA-N 249.741 3.521 30 20 BHED C=C1CCN(Cc2cccc(OCCC)c2)CC1 513451215 PCTPGMAIAAFYMF-UHFFFAOYSA-N 245.366 3.627 30 20 BHED C=C(CC)CNC(C)(C)c1ccc(F)c(F)c1 538235107 XTCYFNXGUDJCCN-UHFFFAOYSA-N 239.309 3.756 30 20 BHED C=C(CC)CSc1nccc(C(F)(F)F)n1 539115936 XDSQLFBSSGLFNM-UHFFFAOYSA-N 248.273 3.554 30 20 BHED C=CCC[C@H](CCC)NC[C@H]1CCO[C@H](C)C1 539968992 MRKCLOZHKXLGHR-ILXRZTDVSA-N 239.403 3.526 30 20 BHED CC[C@@H]1CCC[C@@H](CN(CC)C[C@H](C)C#N)C1 542464387 GKZOHQZLFGBZFA-RBSFLKMASA-N 236.403 3.684 30 20 BHED CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 595079021 CCBHURJSQXJOHJ-BONVTDFDSA-N 246.329 3.537 30 20 BHED Cc1cc(C)cc(NC[C@@H](C)CCC#N)c1 602485535 UYWWGICLCDVDDE-NSHDSACASA-N 216.328 3.655 30 20 BHED C=CCCCCCN(C)C(=O)[C@H](C)CCC 606816624 GNDXQDZEBZYZOR-CYBMUJFWSA-N 225.376 3.627 30 20 BHED C=C(CNC(=O)C(C)(CC)CC)c1ccccc1 673343387 MWVLKAFBDCRPQO-UHFFFAOYSA-N 245.366 3.642 30 20 BHED Cc1ccc(F)c(NN=Cc2cccs2)c1 759667299 RORRBOFSUANMHI-UHFFFAOYSA-N 234.299 3.642 30 20 BHED C#CCCN(CCCC)[C@@H](C)c1ccccc1 760818488 FJCNJHIKYCEONX-HNNXBMFYSA-N 229.367 3.873 30 20 BHED CCCNN=C(CC)c1c(F)cccc1Cl 767770730 FFRZMMHIOPMXMS-UHFFFAOYSA-N 242.725 3.593 30 20 BHED CC[C@H]1CCCC(=NNc2ccnc(F)c2)C1 781133689 GNJXRYLASLKPKD-JTQLQIEISA-N 235.306 3.589 30 20 BHED CCCCCCCCONC(=O)C1CCCC1 790500751 AADDQGYFDNXMKX-UHFFFAOYSA-N 241.375 3.585 30 20 BHED CCc1cccc(C)c1NN=C(C)[C@@H](C)COC 799494707 LOWCBZYVTVQMMD-LBPRGKRZSA-N 248.370 3.628 30 20 BHED CCCC[C@@H](CCC)OC(=O)[C@@](C)(C#N)CC 803788237 OISDURGMVWIJMH-TZMCWYRMSA-N 239.359 3.828 30 20 BHED CC(C)CON=C1C[C@@H](C)c2ccccc21 807979438 SPGCDMARISQDNG-LLVKDONJSA-N 217.312 3.571 30 20 BHED CC(C[C@H](C)CC(C)C)=NOCCOC(C)C 812239321 RBHIUMFURPOYEJ-CYBMUJFWSA-N 243.391 3.876 30 20 BHED CC(C)CCC=NNCCCc1ccccc1 814837921 QRUIZZIGMXMZBB-UHFFFAOYSA-N 232.371 3.631 30 20 BHED CCCON=C(C)Cc1nc2ccccc2s1 842555213 AKUDGQYVYHNWTM-UHFFFAOYSA-N 248.351 3.641 30 20 BHED CCCCCCCCCNC(=N)N[C@H](C)CC 849009807 REZLSOSQYOXWFW-CYBMUJFWSA-N 241.423 3.649 30 20 BHED CC(CC(C)(C)C#N)=NNc1ccc(F)cc1C 853324401 FBMCSKVTBFZOTB-UHFFFAOYSA-N 247.317 3.862 30 20 BHED CCCCCCCCCNC(=O)[C@@H]1C[C@@H]1C 891522377 ZTRFVSCPIJCTLO-QWHCGFSZSA-N 225.376 3.509 30 20 BHED CCC(C=NNCc1ccccc1Cl)CC 918153569 WXSMVPGDVZADDP-UHFFFAOYSA-N 238.762 3.852 30 20 BHED N#C[C@@H](SCc1cccc(F)c1F)C1CC1 918865640 LYOUAGCHNZEFJY-LLVKDONJSA-N 239.290 3.500 30 20 BHED C=CC[C@H](CC)NC(=O)[C@H](C)c1ccccc1C 935799161 KQOSPVJZOYCEIZ-KGLIPLIRSA-N 245.366 3.569 30 20 BHED CC(=NOC(C)(C)C)c1ccc(C)cc1C 1320325149 JGBYJSNQUGZOER-UHFFFAOYSA-N 219.328 3.843 30 20 BHED C=CCC[C@H](NC/C=C\C1CC1)c1ccco1 1326287486 VKVIKRAIQYEJFK-SDQPKGBYSA-N 231.339 3.843 30 20 BHED CCCCCCCOc1ccccc1C#N 59087779 UHHUYVHKQDKOHD-UHFFFAOYSA-N 217.312 3.907 30 20 BHED CC(C)c1ccc(CN(C)CCCCC#N)cc1 71016260 NOTXILXXVMYRJT-UHFFFAOYSA-N 244.382 3.936 30 20 BHED CC[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2)C1 71105780 QUNYYSAAGJTOPH-DOMZBBRYSA-N 228.339 3.939 30 20 BHED C[C@@H](Sc1cc(C#N)ccn1)c1ccccc1 77907063 SQMYORCVFTXVLC-LLVKDONJSA-N 240.331 3.807 30 20 BHED C[C@H](NCCCC#N)c1cccc2ccccc12 128376285 NSKLLOSUSJPSOD-ZDUSSCGKSA-N 238.334 3.794 30 20 BHED CC(C)C[C@@H]1CCCN1Cc1ccc(C#N)s1 153456168 ZMIHLJOLPBBCFY-LBPRGKRZSA-N 248.395 3.630 30 20 BHED CC(C)C[C@H]1CCCN1CC(C)(C)CCC#N 153465691 DQZBXZXTDNTSJW-CQSZACIVSA-N 236.403 3.827 30 20 BHED C=CCN[C@H](CC(F)(F)F)c1ccc(F)cc1 180558914 ODDRHZWXYJUPCJ-LLVKDONJSA-N 247.235 3.595 30 20 BHED CC(C)(C)CCNc1nc(Cl)c(C#N)s1 232496101 PRCZICLWWMYPSS-UHFFFAOYSA-N 243.763 3.516 30 20 BHED CC[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 246363375 LKNPWPFXGUSAQJ-ZIAGYGMSSA-N 242.366 3.741 30 20 BHED N#CCCCOc1ccc(C(F)(F)F)cc1F 281110924 GLGWYEGXGJPJJS-UHFFFAOYSA-N 247.191 3.527 30 20 BHED C=C[C@H](C)Nc1cc(C)nc2c(F)c(F)ccc12 302719242 KQLJMNTXTWFWQI-QMMMGPOBSA-N 248.276 3.808 30 20 BHED C=CCCC(=O)Nc1cccc2ccsc12 337404592 MBOZPPBXPCLNMO-UHFFFAOYSA-N 231.320 3.806 30 20 BHED C=C(C)CCNc1cccc2c1OCC[C@H]2OC 345389972 CAHXEISRNURLDK-CQSZACIVSA-N 247.338 3.535 30 20 BHED C[C@@H](Sc1ccc(C#N)cn1)c1ccccc1 352937544 QLGXQHLNKFRVLQ-LLVKDONJSA-N 240.331 3.807 30 20 BHED C=CCCCCCCN[C@@H]1CCO[C@H](CC)C1 383781807 PGEOZQQRLGURMO-HUUCEWRRSA-N 239.403 3.670 30 20 BHED C=CCCCCCCNCc1ccco1 389417585 WODTWMACPBCHIT-UHFFFAOYSA-N 207.317 3.506 30 20 BHED CC1(C)CC(N[C@H](CCC#N)c2ccccc2)C1 433297529 WNPQMYQJFUHZMP-OAHLLOKOSA-N 242.366 3.810 30 20 BHED CC(F)(F)CCNc1c(Cl)cccc1C#N 450552433 HOHCNYOBGVRXMQ-UHFFFAOYSA-N 244.672 3.669 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 474091639 YQXOAXNIOYELSA-MGPQQGTHSA-N 249.398 3.674 30 20 BHED C=CCC[C@H](CC)N[C@H](CO)CCC(C)(C)C 475678504 BXKPOGYUVCOICO-KBPBESRZSA-N 241.419 3.508 30 20 BHED C=C(C)[C@@H](NCC(C)C)c1ccc(F)c(F)c1 479411142 QQDNWWDGSDOULD-CQSZACIVSA-N 239.309 3.828 30 20 BHED C=CCCCc1nc(-c2cccc(C)c2F)no1 485964208 IFEHGORBDYRKFK-UHFFFAOYSA-N 246.285 3.693 30 20 BHED Cc1cc(CN2[C@@H](C)CCC[C@@H]2C)ccc1C#N 487869383 GXYWBYKHMSBUQG-KBPBESRZSA-N 242.366 3.630 30 20 BHED C=C[C@H]1CCCCN1C(=O)CC1CCC(C)CC1 488823702 MCFFPSISSMKVCW-NRXISQOPSA-N 249.398 3.770 30 20 BHED C=CCN(C)Cc1ccc(SC(C)C)cc1 494638313 QGCNVPQWBDCRRE-UHFFFAOYSA-N 235.396 3.805 30 20 BHED C=C(CC)CN1CCC[C@H]1c1ccccc1 536882039 QOTPGIQZLMPIHZ-HNNXBMFYSA-N 215.340 3.790 30 20 BHED N#CCCCCN[C@H](CC1CC1)c1ccccc1 557539938 VEDLFHDNJYVQNT-MRXNPFEDSA-N 242.366 3.811 30 20 BHED CCC[C@H]1CCCC[C@@H]1Nc1cc(C#N)ccn1 557561302 VQUYQNBFURETBB-KBPBESRZSA-N 243.354 3.724 30 20 BHED C=CCCCCN(C)[C@H](C)Cc1ccc(O)cc1 560220394 FACLHSHJIRXCPE-CQSZACIVSA-N 247.382 3.611 30 20 BHED C=CCCN1CCC[C@H]1Cc1ccccc1Cl 564401168 ZWSYLMGYBFPFCC-AWEZNQCLSA-N 249.785 3.923 30 20 BHED C=CCCCC[C@@H](C)NC1(CF)CCC1 583565991 YEDUWHNFWZFBND-GFCCVEGCSA-N 213.340 3.603 30 20 BHED N#C[C@@H](Sc1nccc2ccccc12)C1CC1 601083495 IGQFEJXXYJUEQI-CYBMUJFWSA-N 240.331 3.629 30 20 BHED CC(=NNc1ccc(Cl)cc1)c1cccnc1 606443476 RCEBAYTYIARLHJ-UHFFFAOYSA-N 245.713 3.571 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H]1CCc2ccc(O)cc21 658237211 CKPGLCQYVDGQRN-OZVIIMIRSA-N 245.366 3.570 30 20 BHED CCC[C@H](N[C@H](C)CC(C)(C)C#N)C1CCC1 695874228 VMGQGJKGJQDVSH-OCCSQVGLSA-N 236.403 3.873 30 20 BHED CC(Cc1ccsc1)=NOCc1ccccc1 729635263 KWZUXNGYWPAPCW-UHFFFAOYSA-N 245.347 3.883 30 20 BHED CC(CC1CC1)=NN[C@@H](C)c1ccccc1 756835847 VUAWVUNRCDNFLG-LBPRGKRZSA-N 216.328 3.513 30 20 BHED C=C[C@@H](C)NC(=O)C[C@@H](C)CCCCCC 757010026 GIAJTBCICUMFDV-QWHCGFSZSA-N 225.376 3.674 30 20 BHED CCCCCCCCc1nc(-c2cocn2)no1 771354952 OUEKTCHFHUMDPW-UHFFFAOYSA-N 249.314 3.628 30 20 BHED CC(Cc1cccs1)=NNC1CCCCC1 786043716 TWRZGOKEDPAYFP-UHFFFAOYSA-N 236.384 3.589 30 20 BHED C#C[C@H](CCC)NC(=O)CCCCCC(C)C 791740024 DBSQVUFOIYIFGQ-CQSZACIVSA-N 237.387 3.511 30 20 BHED CC[C@H](C)CON=C[C@H](C)c1ccccc1 793163237 HNZJDOIFQWOUDK-STQMWFEESA-N 219.328 3.839 30 20 BHED C=CCCCCCCCNC(=O)[C@@H](F)C(C)C 810766095 IIDSVFFGOIWOBE-ZDUSSCGKSA-N 243.366 3.623 30 20 BHED CCC(=NN[C@H](C)c1ccccc1)c1ccco1 814815267 RNAUWXJNBMHJRY-GFCCVEGCSA-N 242.322 3.745 30 20 BHED C=C[C@H](C)ON=C(C)c1ccc(Cl)s1 844624630 YMRNKOROEYZULQ-ZETCQYMHSA-N 229.732 3.717 30 20 BHED N#CCCCCCC(=O)OC1(C2CCCC2)CC1 848018571 JFUPELZNKGCLLA-UHFFFAOYSA-N 249.354 3.726 30 20 BHED C=C(Cl)CSCc1ccccc1C#N 913396144 MFFHRYYVOIGGPY-UHFFFAOYSA-N 223.728 3.544 30 20 BHED CCC(C)=NNc1ccccc1C(F)(F)F 916259478 IUNKEKSKSGOYOQ-UHFFFAOYSA-N 230.233 3.903 30 20 BHED C=C(Cl)CN1CCC[C@@H]1CCc1ccccc1 917065558 CPBVCBWNXPNKMV-OAHLLOKOSA-N 249.785 3.836 30 20 BHED CCCCCCC(C)=NNc1ccccn1 917567281 FABVKCSPXFMJIQ-UHFFFAOYSA-N 219.332 3.840 30 20 BHED CCC[C@@H](CC)Sc1ccnc(C#N)c1 1186359032 JROOXFDLKYLQSY-LLVKDONJSA-N 220.341 3.624 30 20 BHED CCCCCC[C@@H](C)Nc1cccc(CC#N)n1 1320877868 FDBPGOLMDSNCTM-CYBMUJFWSA-N 245.370 3.918 30 20 BHED C=C(CC)C(=O)N(Cc1ccccc1)[C@H](C)CC 1351152416 JJQTYSAIEIDQOU-CQSZACIVSA-N 245.366 3.780 30 20 BHED CCCCCCNc1ccc(C#N)cc1 20362097 MPHYCAAMCXFCBZ-UHFFFAOYSA-N 202.301 3.550 30 20 BHED N#CCN(Cc1ccccc1Cl)C1CCCC1 70940974 PCERMJZTTXAFSL-UHFFFAOYSA-N 248.757 3.608 30 20 BHED N#CCC1(CSCc2ccccc2)CC1 88259643 WPNHVZYZKGUKCZ-UHFFFAOYSA-N 217.337 3.614 30 20 BHED C=CCC[C@@H](CCC)NCc1ccco1 152052225 BCRFHKKSGYPAJP-GFCCVEGCSA-N 207.317 3.504 30 20 BHED CC1(C)CCC/C(=C/c2ccc(C#N)s2)C1=O 159010665 SBCFFOLWNBYQHO-NTMALXAHSA-N 245.347 3.782 30 20 BHED C#CCCCOC(=O)CC[C@H](C)c1ccccc1 160510891 NTWDCUAQCYISPP-AWEZNQCLSA-N 244.334 3.527 30 20 BHED C=CCCC(=O)N1CCCC2(CCCCCC2)C1 173377379 PLEVYVQLMUNUIF-UHFFFAOYSA-N 249.398 3.916 30 20 BHED C=CCNc1ccc(OC(F)F)c(Cl)c1 174932086 UUPORSSIEVBTES-UHFFFAOYSA-N 233.645 3.539 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1cnn(C(C)C)c1 182185186 OHTHIZQBFRQNNC-KGLIPLIRSA-N 249.402 3.859 30 20 BHED CCc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 185723612 WRJCEJHUKGBOMG-HIFRSBDPSA-N 228.339 3.743 30 20 BHED C#CCCCC(=O)N(C)C1CCC(CCC)CC1 190826986 HBLBUMLSTVEIOP-UHFFFAOYSA-N 249.398 3.607 30 20 BHED C=CCCCNc1c(C)cc(C)cc1C 336664525 CTLZFOMSZYRWQB-UHFFFAOYSA-N 203.329 3.990 30 20 BHED C=CCC(C)(C)c1noc([C@H]2CC[C@@H](C)C2)n1 340782033 WKGVHNFVJISRBR-MNOVXSKESA-N 234.343 3.827 30 20 BHED C=CC[C@H](C)N[C@@H]1C[C@H](C)CC[C@@H]1CC 380189865 OKHSELKOIGARJS-ZOBORPQBSA-N 209.377 3.755 30 20 BHED CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1ccc(C#N)cc1 385576948 AUXKHRKXFKUAGM-DAXOMENPSA-N 242.366 3.643 30 20 BHED C=C(C)CCN[C@H](C)c1ccccc1OCC 386759717 IEGTWDNQITVOSZ-CYBMUJFWSA-N 233.355 3.702 30 20 BHED C=CCC1(C(=O)N2CCCCCC2)CCCC1 449039704 DBXYAZIBEMCEDR-UHFFFAOYSA-N 235.371 3.526 30 20 BHED C=CCCCCNC(=O)C1(CC=C)CCCC1 450689442 FBNMDFDNHFKERO-UHFFFAOYSA-N 235.371 3.595 30 20 BHED C=CCC[C@@H](C)N1CCC[C@]2(CCSC2)C1 451987573 YQRLPJGMMSOYDP-KGLIPLIRSA-N 239.428 3.560 30 20 BHED C[C@H]1CCC[C@@H](C)CN1c1cccc(F)c1C#N 462895068 PUYPBEPUCFITCQ-NEPJUHHUSA-N 246.329 3.712 30 20 BHED C=CCCN(C)C(=O)N[C@@H](CCC)CCCC 466782742 PDZPXXBMQUCSGU-ZDUSSCGKSA-N 240.391 3.563 30 20 BHED C=C[C@H](C)N[C@H]1CC(C)(C)c2cc(OC)ccc21 474039984 WTTLSCLCQWIYJF-NHYWBVRUSA-N 245.366 3.582 30 20 BHED C=CCCC1(C(=O)Nc2ccc(C)cc2C)CC1 474082331 MAAHSCHLMCDUOT-UHFFFAOYSA-N 243.350 3.988 30 20 BHED CC#CCN1CCC[C@H]1[C@H](CC)c1ccccc1 524768133 RNBYMIGCHBLKAU-SJORKVTESA-N 241.378 3.668 30 20 BHED C=CCC[C@@H](NCC1(C2CC2)CCC1)C1CC1 540154120 ODNGCSTVOXEITQ-OAHLLOKOSA-N 233.399 3.901 30 20 BHED C=CCCC(=O)N[C@H]1CCC[C@H]1CCC(C)C 590030852 ZHAILPYKEGKKKY-KBPBESRZSA-N 237.387 3.674 30 20 BHED CCN(Cc1ccc(C)cc1)C[C@H](C)CCC#N 602440586 RHUIWUCKUFDTHH-OAHLLOKOSA-N 244.382 3.757 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)Cc1ccccn1 655835475 YPEZJCWWXADKQR-LSDHHAIUSA-N 246.398 3.737 30 20 BHED C=CCCNC(=O)Nc1cccc(C2CCC2)c1 667126920 WHGSUHHXMCHMTN-UHFFFAOYSA-N 244.338 3.652 30 20 BHED CCCC(=NNc1cnn(C)c1)C1CCCCC1 761860972 QAFCJKALVYVGDL-UHFFFAOYSA-N 248.374 3.568 30 20 BHED CCCCCCC[S@](=O)[C@H](C)C(C)C 764558361 FGRCTTBUOCXGFI-OCCSQVGLSA-N 218.406 3.750 30 20 BHED CC(C)(C#N)CCCCOC(=O)C=C1CCCC1 768630107 UKRKGTJEWKTMRO-UHFFFAOYSA-N 249.354 3.750 30 20 BHED C#CC[C@@H](N[C@H](CC)C1CC1)c1ccccc1 773114238 HHQNQJNEFRRSDY-HZPDHXFCSA-N 227.351 3.529 30 20 BHED C[C@@H]1CCCC1=NN[C@@H]1CCCCC1(C)C 773122679 COIVLUZFBWMHDM-DGCLKSJQSA-N 222.376 3.721 30 20 BHED CCOc1cccc(C(C)=NOC2CCCC2)c1 774597071 OSBSIGZCTSFAJE-UHFFFAOYSA-N 247.338 3.769 30 20 BHED C=C(C)CNC(=O)c1ccc([C@H](C)CC)cc1 777833517 CVWBGIOADYRDID-GFCCVEGCSA-N 231.339 3.506 30 20 BHED C=CCCCCCC(C)=NNc1ccc(C)nn1 789004058 NCCTWDBVOUKLLF-UHFFFAOYSA-N 246.358 3.709 30 20 BHED CC[C@H](C)CON=C1CC[C@@H]1c1ccccc1 793146868 VYKOKPLJSKCKHN-GXTWGEPZSA-N 231.339 3.983 30 20 BHED C=CCCCCCCCN[C@@H]1CCCOCC1 810243753 SWFMHMYXBBPDOI-OAHLLOKOSA-N 239.403 3.672 30 20 BHED COc1ccc(CCC(C)=NOC2CCC2)cc1 812237026 GYIVEKJGURVKKJ-UHFFFAOYSA-N 247.338 3.573 30 20 BHED CCCC(=NNc1cccc(F)n1)C1CCCC1 834977693 QCTZIJOFEZOLBU-UHFFFAOYSA-N 249.333 3.979 30 20 BHED CCC(=NNc1nccnc1C(C)C)C1CCC1 834977965 PNSIAFRZGZODBZ-UHFFFAOYSA-N 246.358 3.578 30 20 BHED C[C@@H]1CCCCCC1=NOCc1cccnc1 844588749 HDWLMWNGUVOQGL-GFCCVEGCSA-N 232.327 3.554 30 20 BHED N#C[C@H]1CC[C@H](Sc2ncc(Cl)s2)C1 850000395 TXGRBSMLTSBSSL-BQBZGAKWSA-N 244.772 3.581 30 20 BHED C=CC(C)(C)CCOC(=O)[C@H]1CCC(F)(F)C1 851300319 QVRFBGQZHOHBRS-JTQLQIEISA-N 246.297 3.567 30 20 BHED N#Cc1ccc(N[C@@H](c2ccccn2)C2CC2)cc1 895795920 YGFIPJWOQCUSGT-MRXNPFEDSA-N 249.317 3.516 30 20 BHED CC(=NNc1ccc(C)cc1)c1scnc1C 915110098 MQVUJEJKYPHNNW-UHFFFAOYSA-N 245.351 3.596 30 20 BHED CCCCCCCCCn1nc(C)nc1C 915795158 YMEIGTJFMKAFBQ-UHFFFAOYSA-N 223.364 3.646 30 20 BHED C=C(C)CCC(=O)NCC[C@@H](C)c1ccccc1 1349547148 ROHZUICJDHIALL-CQSZACIVSA-N 245.366 3.653 30 20 BHED Cc1ccc(C)c(NCc2ccccc2C#N)c1 20056045 GATHWVZQYJOQNO-UHFFFAOYSA-N 236.318 3.787 30 20 BHED CCCN(CC#N)[C@H](C)c1cc2ccccc2o1 53643413 RRDPYIODDGAKLK-GFCCVEGCSA-N 242.322 3.729 30 20 BHED C=C(C)COC(=O)c1cc2ccccc2s1 57544761 UXNUHOXTXAXKCS-UHFFFAOYSA-N 232.304 3.634 30 20 BHED CCCCCCC[C@@H](C)NCc1cccnc1 59090243 MQBXBAIVNWXDQP-CQSZACIVSA-N 234.387 3.920 30 20 BHED CC(C)(C)CC(C)(C)Nc1ccnc(C#N)c1 61815163 QRSVNPHGXBXWKL-UHFFFAOYSA-N 231.343 3.580 30 20 BHED C[C@H]1CCC[C@@H]1Nc1ccc(Cl)cc1C#N 70832722 MDXKKNBVYSZQRK-CABZTGNLSA-N 234.730 3.812 30 20 BHED CC[C@H]1CCCN(Cc2ccc(C#N)cc2)CC1 79054651 MULSPGIDIQEUMX-AWEZNQCLSA-N 242.366 3.570 30 20 BHED CCCCCCCCSC[C@H](C)CO 117462992 NZISLDZWQWNLAL-GFCCVEGCSA-N 218.406 3.709 30 20 BHED CC[C@@H]1CCCC[C@@H]1N(C)CCCCC#N 120789861 NBQFJVMLRGJANX-KGLIPLIRSA-N 222.376 3.581 30 20 BHED C=C[C@@H](C)NCc1ccc2ccccc2c1 130499680 GJXMNZGVLILAGG-GFCCVEGCSA-N 211.308 3.504 30 20 BHED C=CCC[C@H](CC)N[C@@H](C)c1nccs1 153391913 YYELRLILEIVUQO-QWRGUYRKSA-N 224.373 3.539 30 20 BHED C=CCCCC(=O)N1CC[C@@H](C)c2ccccc21 177548224 PLAOIWHKRFFFNK-CYBMUJFWSA-N 243.350 3.883 30 20 BHED C#CCCCN[C@H](c1cccs1)C1CCCC1 179436577 XAHWRPOVTQLINE-HNNXBMFYSA-N 247.407 3.982 30 20 BHED CCc1ccc(C(C)(C)NCCCCC#N)cc1 180100736 WITOBTQHMJLGAM-UHFFFAOYSA-N 244.382 3.768 30 20 BHED C=CCC[C@H](C(=O)NCC(C)C)c1ccccc1 185994828 PDVCGGBACLJZJZ-HNNXBMFYSA-N 245.366 3.509 30 20 BHED C#CCCCNc1ccccc1N1CCCCC1 270883812 FZPLLJVDWJPWFJ-UHFFFAOYSA-N 242.366 3.502 30 20 BHED C=CCCC[C@H](C)Nc1nc(C2CC2)ns1 301985695 CPVKTZLUCAVHCB-VIFPVBQESA-N 237.372 3.572 30 20 BHED CCCCCSc1ccc(Cl)c(C#N)n1 301987681 LAFRKXLZWPGLNS-UHFFFAOYSA-N 240.759 3.889 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccnc(Cl)c1 309700453 MMCYHMBUXXGGHU-ZYHUDNBSSA-N 238.762 3.740 30 20 BHED N#C[C@H]1CCC[C@H](NC(C2CCC2)C2CCC2)C1 353975781 VXEQWQIUEVEZNR-WFASDCNBSA-N 246.398 3.627 30 20 BHED C=CC[C@@H](CC)NCc1coc2ccccc12 393785438 XEYOAQJCFVTIAA-CYBMUJFWSA-N 229.323 3.877 30 20 BHED N#CCCC1CCN(CCC2CCCC2)CC1 399755292 PSZGFCBBDUYGSX-UHFFFAOYSA-N 234.387 3.582 30 20 BHED N#CC1(CSc2ccc(O)cc2)CCCC1 405236000 ZVCDQPITUALLRW-UHFFFAOYSA-N 233.336 3.568 30 20 BHED C=CCNC(=O)Nc1ccc(C(C)(C)CC)cc1 448123934 GNUXNOKCHNZIGL-UHFFFAOYSA-N 246.354 3.682 30 20 BHED C=CCC1(C(=O)N2CCC(=C)CC2)CCCCC1 448913405 SLURVGMIGCXWDH-UHFFFAOYSA-N 247.382 3.692 30 20 BHED N#CC1(CSCC2CCCCC2)CCC1 450830771 RVSYIBLZCUSHFY-UHFFFAOYSA-N 223.385 3.994 30 20 BHED C=C(C)CCNC(=O)CC[C@@H](C)c1ccccc1 452719050 RWQRTMJXORKCDA-CQSZACIVSA-N 245.366 3.653 30 20 BHED C=CCCOCCN[C@@H](CC)C1CCCCC1 537952030 NODMTBFTJIMHKB-HNNXBMFYSA-N 239.403 3.528 30 20 BHED CC(C)[C@H]1CCC[C@H](Nc2cc(C#N)ccn2)C1 553033716 HAEQSZXZOZQSFG-KBPBESRZSA-N 243.354 3.580 30 20 BHED CC1=CC[C@H](N[C@H](C)c2cccc(C#N)c2)CC1 585726079 RMCJRZGLDNUCJE-CJNGLKHVSA-N 240.350 3.708 30 20 BHED C=CCCCCS[C@H](C)c1nc(C)no1 591380244 CUFWTJMPKYKUCN-SECBINFHSA-N 226.345 3.529 30 20 BHED CO[C@H](C)CSCCC1(C#N)CCCCC1 591388978 WJPWRHBAVZDJHM-GFCCVEGCSA-N 241.400 3.619 30 20 BHED CN(C[C@@H]1CC=CCC1)[C@@H](C#N)c1ccccc1 595428259 WTMVGYACNYPGAW-ZBFHGGJFSA-N 240.350 3.539 30 20 BHED C=CCCCN(CC1CCCCC1)C1CC1 605149976 ABDTWAHFJZVKDS-UHFFFAOYSA-N 221.388 3.997 30 20 BHED CC#CCCCC(=O)Nc1cscc1Cl 636437838 FCWPFVREKTZCDQ-UHFFFAOYSA-N 241.743 3.534 30 20 BHED C=CCCCCNC1CCC(F)(F)CC1 647203344 YNIHQBZKFIGHSR-UHFFFAOYSA-N 217.303 3.510 30 20 BHED C=CCOC(=O)[C@H](CCC)CC1CCCC1 733603165 FUFCJTWXUQSEFN-CYBMUJFWSA-N 224.344 3.712 30 20 BHED Fc1cccc(F)c1NN=C[C@H]1CC=CCC1 735618509 BCCYCNPETQDMQT-JTQLQIEISA-N 236.265 3.719 30 20 BHED CCCCCCCN(C)[C@@H](CO)c1ccccc1 749115113 HCNLTOWMYJYZKU-INIZCTEOSA-N 249.398 3.622 30 20 BHED C#CCCN1CC[C@H](c2ccccc2)[C@@H](CC)C1 752857562 RULPPVDAFYMWLQ-RDJZCZTQSA-N 241.378 3.525 30 20 BHED C#CC[C@@H](N[C@H]1CCC(C)(C)C1)c1ccccc1 753687866 DIJLIDUXMUTJEX-JKSUJKDBSA-N 241.378 3.919 30 20 BHED C#CC[C@H](Nc1ccc(C#N)cc1)c1ccccc1 756957639 XRFYILNKIJZORM-KRWDZBQOSA-N 246.313 3.735 30 20 BHED C=CCCC(CC)=NNCCc1ccccc1F 764723506 PFNJDZSKXWXBQP-UHFFFAOYSA-N 248.345 3.690 30 20 BHED CC(C[C@H](C)CC(C)C)=NNCC(F)(F)F 769813564 HLZKBYSTGZFNRT-SECBINFHSA-N 238.297 3.587 30 20 BHED Cc1ccsc1C=NNc1c(C)cccc1F 769828868 XSQDEFQWJNJJIX-UHFFFAOYSA-N 248.326 3.950 30 20 BHED c1ccc2c(c1)NCCCC2=NOC1CCCC1 774398007 CNHWTEPQSQZLJA-UHFFFAOYSA-N 244.338 3.556 30 20 BHED CC(CSC(C)(C)C)=NN[C@@H](C)C(C)(C)C 793113257 CETKTUJKZYDFSD-NSHDSACASA-N 244.448 3.918 30 20 BHED C=CCCCCCCNC(=O)C1(CC=C)CCC1 805219331 GLGRCAGVLPCHOZ-UHFFFAOYSA-N 249.398 3.986 30 20 BHED C=CCCCCCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 805219541 OWLRJUROHMMNBH-SOUVJXGZSA-N 249.398 3.675 30 20 BHED CC(CC(C)(C)C)=NNc1cccc(C#N)c1 834937716 QLYQTDXNFAVDQK-UHFFFAOYSA-N 229.327 3.782 30 20 BHED COCc1ccccc1/C=C(/C)C=NOC(C)C 835001991 LFAAOVOOIJQFOY-YNVRKHLUSA-N 247.338 3.647 30 20 BHED Cc1ccc(C=NOCc2ccccc2)c(C)c1 839419521 PAJLIXIUIVFIOB-UHFFFAOYSA-N 239.318 3.854 30 20 BHED C=CC(C)(C)CC(=O)Nc1ccc(C)cc1C 877915975 SILJKVKNHWXNSV-UHFFFAOYSA-N 231.339 3.844 30 20 BHED N#CC1(CCCCn2ccnc2C2CC2)CCC1 901588112 QOYUANDYECBEBF-UHFFFAOYSA-N 243.354 3.625 30 20 BHED CCCCCCCCCN(C)C(=O)C(C)C 918396488 QQIMPXZQZOXXDO-UHFFFAOYSA-N 227.392 3.851 30 20 BHED C=C(CC)CN[C@H](C)c1ccc(C(C)(C)O)cc1 926549854 IZRGPKAJBPJSCE-CYBMUJFWSA-N 247.382 3.531 30 20 BHED CCc1cccc(N(C)C[C@H](C)CCC#N)c1 1621378492 MXSFSGUBWOQEGF-CYBMUJFWSA-N 230.355 3.625 30 20 BHED CC(C)C[C@@H](C)C[C@@H](C)NCC(C)(C)CC#N 1659422054 DRJYWAOSHBCVJO-ZIAGYGMSSA-N 238.419 3.977 30 20 BHED N#CCCN[C@@H](c1ccccc1)C1CCCCC1 20200172 VLSAFSKUDZRSGX-INIZCTEOSA-N 242.366 3.811 30 20 BHED CC[C@H](C#N)Sc1cc(C)ccc1C 43557584 POWWWHMWIGLVJS-LLVKDONJSA-N 205.326 3.698 30 20 BHED C=CCN(Cc1cc(C)no1)CC1CCCCC1 69860136 LPJZKQRORLSRIB-UHFFFAOYSA-N 248.370 3.551 30 20 BHED C[C@H]1CCC[C@H](CNc2cccc(C#N)c2)C1 89604331 RRNKWRCAAVMISI-JSGCOSHPSA-N 228.339 3.796 30 20 BHED C=C(C)CNC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 123066790 WKKIOPKYBUUSAR-DZGCQCFKSA-N 245.366 3.509 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 132676369 VNRUGJHIGVUVOU-ZJUUUORDSA-N 241.281 3.513 30 20 BHED CC#CCCN1CCC[C@H]1c1cccc(C)c1 155180453 WRSFCIISGVWGJP-INIZCTEOSA-N 227.351 3.545 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cc(C)sc1C 161642407 XTNYDFLOTHXCSE-KOLCDFICSA-N 223.385 3.980 30 20 BHED C=C(C)CCNc1ccc(F)cc1Cl 168954850 GRTSOPQDRMXMLC-UHFFFAOYSA-N 213.683 3.857 30 20 BHED C=CCSCc1ncc(-c2ccccc2F)o1 173825581 DUPLEMOWLLAFBO-UHFFFAOYSA-N 249.310 3.900 30 20 BHED C=C(C)CSCC(=O)Nc1cc(C)cc(C)c1 177870557 XQISWBIEJXPTRN-UHFFFAOYSA-N 249.379 3.551 30 20 BHED C=CCC1(C(=O)Nc2ccc(C)cc2C)CCC1 190254070 GMFRYXASTSGFEO-UHFFFAOYSA-N 243.350 3.988 30 20 BHED C=CCCN(C)C(=O)CC[C@H](C)c1ccccc1 276432300 RTTAPOIKOJSJAC-AWEZNQCLSA-N 245.366 3.605 30 20 BHED C=CCCCCCCN[C@H](C)c1cncs1 287245720 ZDKHFWMANDQZJO-GFCCVEGCSA-N 238.400 3.930 30 20 BHED N#C[C@@H]1CC[C@H](N2CCC[C@@H]2c2ccsc2)C1 293489312 MXOJACIHZAGJLO-KWCYVHTRSA-N 246.379 3.577 30 20 BHED C=CCC(C)(C)CNc1cc(C(C)C)ncn1 310415202 MTTYEAUZLAAUQW-UHFFFAOYSA-N 233.359 3.614 30 20 BHED Cc1cc(F)ccc1/C=C/c1ccncc1C#N 349105175 GFNUUHGIPIBKKA-NSCUHMNNSA-N 238.265 3.571 30 20 BHED CC(C)[C@H](CNCCCCC#N)c1ccccc1 354347477 KVNVNJXJZXLZPM-INIZCTEOSA-N 244.382 3.710 30 20 BHED C=CCC[C@@H](N[C@@H]1CCC(F)(F)C1)C1CC1 390780372 JFVANMODPAEENC-VXGBXAGGSA-N 229.314 3.509 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1cccc(OC)c1 393772980 VFYKKDBXFQKDPI-TZMCWYRMSA-N 233.355 3.701 30 20 BHED C=CC[C@H](CC)NC(=O)CC1(C)CCCCC1 410134095 GJCJNSGGAWTNNI-ZDUSSCGKSA-N 237.387 3.818 30 20 BHED Cc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1C 414162237 GUKUBZHQAIXSJT-CQSZACIVSA-N 244.382 3.894 30 20 BHED N#C[C@@H]1CC[C@H](SC2CCCCC2)C1 450630185 TZFXTLUIJQVYGG-PWSUYJOCSA-N 209.358 3.745 30 20 BHED C=CCC(CC=C)C(=O)NC1(CC)CCCCC1 456211843 CGLPMPQEEHKTOU-UHFFFAOYSA-N 249.398 3.984 30 20 BHED C=CCC[C@@H](O)CN(C)c1cccc(C(C)C)c1 472771448 NNQKFORXYDTLAQ-MRXNPFEDSA-N 247.382 3.573 30 20 BHED C=CCC(C)(C)C(=O)N1CCC[C@@](C)(CC)C1 573945113 RRDAIEAIJBACAZ-OAHLLOKOSA-N 237.387 3.627 30 20 BHED C/C=C(/CC)C(=O)O[C@@H](C)c1ccc(C#N)cc1 588570046 JBPVOHNTYQCZBJ-MJXQBXOISA-N 243.306 3.519 30 20 BHED C=CCCCN1CC=C(c2ccc(F)cc2)CC1 605149776 OQGVFZFRBSTIOJ-UHFFFAOYSA-N 245.341 3.881 30 20 BHED C=CC(C)(C)CNC(=O)C1[C@H]2CCCCCC[C@H]12 615831860 SUVIYBLVOYRZMO-STQMWFEESA-N 249.398 3.531 30 20 BHED C=CCCCNC(=O)[C@@H](CCCC)C(C)C 621980029 GTIUEXBWDSDNBT-ZDUSSCGKSA-N 225.376 3.531 30 20 BHED C=CCN(C(=O)[C@H](C)CCCC)C(C)(C)C 622944720 CCNUXDWAUNLCCZ-GFCCVEGCSA-N 225.376 3.626 30 20 BHED N#Cc1cc(F)cc(N[C@H]2CCC23CCCC3)c1 693787605 TZUSNXSEODQTRP-AWEZNQCLSA-N 244.313 3.832 30 20 BHED CC[C@H](Nc1cc(F)cc(C#N)c1)[C@@H]1CC1(C)C 718627681 QZWOIIBKCDEBIO-KBPBESRZSA-N 246.329 3.934 30 20 BHED CCCC(=NNC1CCCC1)c1ccccc1 727652617 UBQJCDWSVUYEIV-UHFFFAOYSA-N 230.355 3.723 30 20 BHED C=CCCOC(=O)/C=C\c1ccc(Cl)s1 729072403 IXARGNOKSBXBMF-ALCCZGGFSA-N 242.727 3.534 30 20 BHED C=C1CCN(C(=O)CCCCCCC)CC1 729281628 KWDUTTGWNHFXSF-UHFFFAOYSA-N 223.360 3.526 30 20 BHED CCC/C(C)=C\C(=O)Nc1cc(C#N)ccc1C 746377257 VWERGVOILKYGIO-FLIBITNWSA-N 242.322 3.552 30 20 BHED CC(=NNc1cc(F)c(F)c(F)c1)C1CCC1 747641943 HVMPCEKDQZFMCN-UHFFFAOYSA-N 242.244 3.692 30 20 BHED C#CCCN(CC)[C@H](C)c1cc2ccccc2o1 760817146 CDOLZBWVTCXGTR-CYBMUJFWSA-N 241.334 3.839 30 20 BHED COc1ccc(NN=C(C)CCC2CC2)cc1 768784358 QEZPJGYBMQEDNN-UHFFFAOYSA-N 232.327 3.673 30 20 BHED CC#CCCNC(=O)[C@@](C)(CC)CCCCC 781005282 ZHSBTYDMZKRFTC-HNNXBMFYSA-N 237.387 3.513 30 20 BHED C=CC[C@H](NCCCC(C)C)c1ccncc1 783639081 ZRLHYBTZMUCFTG-HNNXBMFYSA-N 232.371 3.725 30 20 BHED CC[C@@H]1CCC[C@@H](C=NO[C@@H]2CCCCO2)C1 783861539 FBVJBSPUYPSZSR-MGPQQGTHSA-N 239.359 3.732 30 20 BHED CC1(C)CCC1=NNc1nc2ccccc2s1 788928965 PUYOXODQZJNPSX-UHFFFAOYSA-N 245.351 3.884 30 20 BHED C#C[C@@H](CCC)NC(=O)C[C@@H](C)C1CCCCC1 791202309 JHHHMXJCJOXMSA-HIFRSBDPSA-N 249.398 3.511 30 20 BHED C[C@@H]1CC[C@@H](C=NNc2cc(Cl)ccn2)C1 800816023 XQYGHPXSMNCCAR-NXEZZACHSA-N 237.734 3.569 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)c1ccc[nH]1 824050843 MDQAOJXEJGKBOY-QWHCGFSZSA-N 220.360 3.800 30 20 BHED C=C(CC)COC(=O)c1ccsc1Cl 853127251 DECNLDYMUNMKRX-UHFFFAOYSA-N 230.716 3.525 30 20 BHED Cc1ccc(NN=C2CCC23CCC3)cc1F 853438489 DFUMTNVNPIZOPR-UHFFFAOYSA-N 232.302 3.866 30 20 BHED C=C(Cl)CSCCOCc1ccccc1 853777246 QAPYBYQMPJERBP-UHFFFAOYSA-N 242.771 3.689 30 20 BHED C=C1CCC(C(=O)N2[C@@H](C)CC[C@H]2CC)CC1 889845050 HMSGJGOFXFROTL-GXTWGEPZSA-N 235.371 3.522 30 20 BHED CC1(CNc2cccc(CC#N)n2)CCCCC1 1343581648 NJPHCDLNWCCCKM-UHFFFAOYSA-N 243.354 3.530 30 20 BHED C=C(CC)C(=O)N(CCC)Cc1ccc(F)cc1 1347316545 XKGHUBIVWPDVRC-UHFFFAOYSA-N 249.329 3.531 30 20 BHED C=C(Cl)CN1CCCC[C@@H]1CC(C)C 1459724108 VOIGLCAOHTYVFN-GFCCVEGCSA-N 215.768 3.640 30 20 BHED N#Cc1ccc(SCC2CCCC2)c(F)c1 62836010 VIVWXNDJQNQIFN-UHFFFAOYSA-N 235.327 3.980 30 20 BHED CC[C@@H](C)[C@H](C)Nc1ccc(F)cc1C#N 82516481 XJLGVKFFSQQCEN-ZJUUUORDSA-N 220.291 3.544 30 20 BHED C#CCCCCC(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 119807456 HJQKSUYXCPNTCA-HUUCEWRRSA-N 249.398 3.511 30 20 BHED CCC[C@H](C)[C@@H]1CCCN1CCCCC#N 135327672 BFFOTEPVTHOFQB-KBPBESRZSA-N 222.376 3.581 30 20 BHED CCCCCCCCN(C)C[C@@H]1CCCOC1 158041425 WYHXCLKYEQGZCF-HNNXBMFYSA-N 241.419 3.705 30 20 BHED C=C(C)CN[C@@H](CC)c1cc(F)ccc1F 179803338 KDAZFPGCSIVIBR-ZDUSSCGKSA-N 225.282 3.582 30 20 BHED CC#CCCCC(=O)O[C@@H](C)c1cccc(F)c1 185927861 WMYDTYOZCZCAEN-LBPRGKRZSA-N 248.297 3.624 30 20 BHED C/C(=C\Cl)CC1(C=O)CCCCC1 306250651 YHYWTISGHLWDIQ-CSKARUKUSA-N 200.709 3.669 30 20 BHED C=C(Cl)CN[C@H](c1ccc(C)o1)C1CCC1 309688989 IMJXWMLZQQDUCM-ZDUSSCGKSA-N 239.746 3.771 30 20 BHED C=CCCCCN[C@@H](C)Cc1ccccc1OC 311008062 LFMNMKDPVZYURA-AWEZNQCLSA-N 247.382 3.572 30 20 BHED C[C@H]1CC(CCN(C)[C@H](C)CC#N)C[C@H](C)C1 345905360 DDQQOCMLLSXSBG-MGPQQGTHSA-N 236.403 3.683 30 20 BHED C=CCCc1nc([C@H](C)c2ccccc2C)no1 357699363 COTRGVPBNHZZAD-GFCCVEGCSA-N 242.322 3.648 30 20 BHED CC1(C)CCC[C@@H]1CNCc1cc(C#N)cs1 388487450 PWMSOMONZZEKEH-GFCCVEGCSA-N 248.395 3.536 30 20 BHED CCCCCCCN[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1O2 395371963 PFNXSLYAFJKHHB-LJISPDSOSA-N 239.403 3.502 30 20 BHED CCC[C@@H](C)[C@H](CC)NCC(C)(C)CC#N 414173751 XHUPCIOKROOIFH-OLZOCXBDSA-N 224.392 3.731 30 20 BHED C[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)[C@@H](C)[C@H]1C 419375511 RQOHSLGUGXSINP-ZOBORPQBSA-N 242.366 3.596 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 425147166 KHJODEHDSSFHNO-UONOGXRCSA-N 249.398 3.674 30 20 BHED C=CCCC[C@@H](C)NCc1ccc(C#N)c(C)c1 443993585 LWJKEKFFNNIWQA-CQSZACIVSA-N 242.366 3.701 30 20 BHED C=CCC1(C(=O)N[C@@H](C)CC2CC2)CCCCC1 448970727 ZHCMTUIHJHJESL-ZDUSSCGKSA-N 249.398 3.818 30 20 BHED C=C(CC)CNC/C(C)=C/c1ccccc1 449729600 AVRBRSHZTONRLS-GXDHUFHOSA-N 215.340 3.646 30 20 BHED C/C(=C/c1ccccc1)CN(CCC#N)C(C)C 577943831 DPIDAKUSRUOTSR-QINSGFPZSA-N 242.366 3.714 30 20 BHED CC[C@@H](NCCC(C)(C)F)c1ccc(C#N)cc1 595083401 DBXSZYSAAXMHEY-CQSZACIVSA-N 248.345 3.737 30 20 BHED Cc1ccc(CN(C2CC2)[C@H](C)C#N)c(Cl)c1 595709776 IIJNVUVHBKGGLD-LLVKDONJSA-N 248.757 3.525 30 20 BHED C[C@@H](CCC#N)CN(C)[C@@H](C)c1cccs1 602444249 ZVPQNARTFNEGDU-RYUDHWBXSA-N 236.384 3.681 30 20 BHED C=CCN1CCCCC[C@@H]1c1ccc(CC)o1 606899068 GGZULBBETUIYAF-CQSZACIVSA-N 233.355 3.945 30 20 BHED C=CCOC(=O)C1(c2cccc(C)c2)CCCC1 726826463 LIRJEQCFQLWBDB-UHFFFAOYSA-N 244.334 3.536 30 20 BHED CCCCCCCCCc1nc(C)no1 733740042 JWGFTMGHYPFTFK-UHFFFAOYSA-N 210.321 3.671 30 20 BHED CCC(CC)NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 734366435 RPVMLLHHNSDTKA-ZRJCITRHSA-N 234.387 3.577 30 20 BHED C=CCON=Cc1cccc(Cl)c1Cl 754778681 INOMXSFVXBHREE-UHFFFAOYSA-N 230.094 3.530 30 20 BHED CCc1ccc(/C=C\C(=O)c2ccco2)s1 769770458 IXVUKIXTVSXCGY-FPLPWBNLSA-N 232.304 3.800 30 20 BHED CC/C(C)=C(/C)C(=O)O[C@@H](C#N)C1CCCCC1 780216768 SKJUZDNAIPBTCC-NYHXXUGCSA-N 249.354 3.748 30 20 BHED C=CCCCCCN1CC[C@H](c2ccccn2)C1 799195972 MZOVPLSSMIOQNJ-HNNXBMFYSA-N 244.382 3.617 30 20 BHED C[C@H]1CCC[C@@H](OC(=O)CCCCCC#N)C1 805864064 FOPSYTRKIKFQCW-QWHCGFSZSA-N 237.343 3.582 30 20 BHED CC(CC(C)(C)C)=NNc1ncccc1Cl 834943295 YJOZLBMLGOIBHJ-UHFFFAOYSA-N 239.750 3.959 30 20 BHED C=CCC1(NC(=O)/C=C(/C)CC)CCCCC1 836956732 LINXHQOPHUDLLD-SEYXRHQNSA-N 235.371 3.738 30 20 BHED C[C@@H]1CCCCN1N=C1CCC[C@H]1C(C)(C)C#N 853381506 DYHCIMNOMKYSSS-CHWSQXEVSA-N 247.386 3.567 30 20 BHED C=C[C@H](C)ON=Cc1ccsc1C(F)(F)F 863124088 PVYNHFWYLGUFJO-ZETCQYMHSA-N 249.257 3.692 30 20 BHED C#CCCCCCCNC[C@@H](C)CC(F)(F)F 877589743 QSTKLCNTBFWJON-LBPRGKRZSA-N 249.320 3.748 30 20 BHED C/C=C/C=C\C(=O)NCCCCCCCCC 913037203 JNOISAPWONPCSH-DVFXTYPQSA-N 237.387 3.986 30 20 BHED CCCCCCCCCNC(=O)N(CC)CC 916194368 WOIBDMBEILFYIE-UHFFFAOYSA-N 242.407 3.788 30 20 BHED C=C1CCC(C(=O)OC[C@H](C)CC(F)F)CC1 1343503506 VABOHMXLKSJCJA-SNVBAGLBSA-N 246.297 3.567 30 20 BHED CC1CCC(C)(CNc2cccc(C#N)n2)CC1 1458354584 KFHMQEWGKVOPCR-UHFFFAOYSA-N 243.354 3.582 30 20 BHED CCN(CCC#N)CC[C@@H]1C[C@@H](C)C[C@@H](C)C1 1459603241 PJFZPAOJGYYOLD-FICVDOATSA-N 236.403 3.684 30 20 BHED CCC(=CC(=O)O[C@H](CC#N)c1ccco1)CC 1526992902 OVZAXISNRKWOLG-CYBMUJFWSA-N 247.294 3.524 30 20 BHED CC(C)C[C@@H]1CCCN(C[C@@H](C)CCC#N)C1 1560664370 NIIQHVVDWOFCNG-GJZGRUSLSA-N 236.403 3.684 30 20 BHED CC(C)[C@H]1CCCN(C[C@@H](C)CCC#N)CC1 1663618417 PFOVHKSMMCOXOZ-GJZGRUSLSA-N 236.403 3.684 30 20 BHED N#CCCCSC1=Nc2ccccc2CS1 58018132 UFDUISIUYRNPCG-UHFFFAOYSA-N 248.376 3.958 30 20 BHED C=C[C@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1 119348312 SPHMDPXNWIRKNR-VHSXEESVSA-N 243.272 3.931 30 20 BHED CC(C)c1cnc(S[C@H](C)C#N)n1C(C)C 128907252 QTDAJCWTTIFHIQ-SNVBAGLBSA-N 237.372 3.592 30 20 BHED CCc1ccc([C@H](C)NCCCCC#N)s1 167266102 NMARCOPKUOMJAU-NSHDSACASA-N 236.384 3.655 30 20 BHED C=CCCN[C@H](C)c1ncc(-c2ccccc2)o1 184880466 RMBRVICXOWYEGJ-GFCCVEGCSA-N 242.322 3.568 30 20 BHED Cc1ccccc1CS[C@@H](C)CCC#N 188197414 FEXSCARLMSWTES-LBPRGKRZSA-N 219.353 3.921 30 20 BHED CCN(Cc1ccc(C#N)c(F)c1)[C@@H](C)C(C)C 191967241 MCIVZPWETRQSHO-LBPRGKRZSA-N 248.345 3.564 30 20 BHED CC[C@]1(C)CCCN(c2ccc(C#N)cc2)C1 301471459 PHYMYIOQPBBNAB-OAHLLOKOSA-N 228.339 3.575 30 20 BHED N#Cc1c(F)cccc1NCC1(C2CC2)CCC1 301814764 ZEKZXMBIRJGGSD-UHFFFAOYSA-N 244.313 3.690 30 20 BHED C=CCN(CC(=C)C)Cc1ccc(Cl)s1 302834023 RLXMGONKZMBAMU-UHFFFAOYSA-N 241.787 3.966 30 20 BHED CC[C@@H]1C[C@@H](C)CN1CCCCC(C)(C)C#N 310044594 DAFAFSNIKJJRND-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED CCCCN(CCCC)c1ccc(C#N)c(C)n1 310975446 DZMFDMXNDJUTNL-UHFFFAOYSA-N 245.370 3.668 30 20 BHED C[C@@H]1CCC[C@@H](CCn2ccc(C#N)c2)C1 339204614 IKXSWQIDKNWDKX-OLZOCXBDSA-N 216.328 3.576 30 20 BHED C=CCC[C@H](NC[C@@H]1CCCCS1)C1CC1 381181707 WQGNABLKXLGVSQ-KBPBESRZSA-N 239.428 3.607 30 20 BHED C=C(Cl)CN[C@@H](C)c1ccc(F)cc1C 382314341 RCRSGCHGKXXISP-JTQLQIEISA-N 227.710 3.537 30 20 BHED C=CC[C@H](CC)NCc1ccc2c(c1)CCC2 393820133 PIODXBCKOHHCLH-INIZCTEOSA-N 229.367 3.620 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccc(C)c(C)c1 424528653 QTYHXBBJYWNJTN-UHFFFAOYSA-N 231.339 3.844 30 20 BHED CCN(CC#Cc1ccc(Cl)cc1)C1CCC1 427001443 SPRLZZPLGQFGLW-UHFFFAOYSA-N 247.769 3.566 30 20 BHED C=CCC1(CNC2CCSCC2)CCCC1 449602105 BWXTYKAZRDTZQU-UHFFFAOYSA-N 239.428 3.608 30 20 BHED C=CC(C)(C)CNC(=O)CC1(C)CCCCC1 452778539 YBHVLTLZFDXYPK-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C[C@H]1CC(C)(C)CC[C@@H]1NCC(C)(C)CC#N 459733530 QDNDEGDZNUGTKU-STQMWFEESA-N 236.403 3.731 30 20 BHED C=CCCCN(C)C(=O)C1C[C@H]2CCC[C@H](C1)C2 469459984 AFBDKGAJNRCECJ-KBPBESRZSA-N 249.398 3.627 30 20 BHED C=C[C@H]1CCCCN1C(=O)C1CCC(C)(C)CC1 488813500 IGPRRBNEFYVIOP-AWEZNQCLSA-N 249.398 3.770 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCC(C)=C(C)C1 518773227 DIEUBPHOIGKOEB-HUUCEWRRSA-N 247.382 3.690 30 20 BHED Cc1cn(Cc2cccc3ccccc23)cc1C#N 532767021 MLHIGTZXPIMQON-UHFFFAOYSA-N 246.313 3.870 30 20 BHED C=CCCOc1ccc(-c2c(C)noc2C)cc1 549903004 AWGGJNYDETYQCZ-UHFFFAOYSA-N 243.306 3.913 30 20 BHED C/C=C\c1ccc(NC[C@@H](C#N)CCC#N)cc1 562289822 IQVVAVITWSCPMJ-CTGSTSKSSA-N 239.322 3.575 30 20 BHED CCN(CCC1CCCCCC1)C[C@@H](C)C#N 577985803 LYVDFVFCECZFJK-AWEZNQCLSA-N 236.403 3.828 30 20 BHED C=CCCCN1CCC[C@@H]1c1ccc(F)cc1 605149824 YRQPAJNGTWZYEK-OAHLLOKOSA-N 233.330 3.929 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H](C)C2)C1 617782573 IFJBDJCVJUJTJG-KFWWJZLASA-N 249.398 3.627 30 20 BHED C=CCC1(C(=O)N(C)CCC(C)(C)C)CCC1 648544576 ASNWNKHFFBTLHK-UHFFFAOYSA-N 237.387 3.627 30 20 BHED CCON=C(C)C(C)(C)c1ccc(F)cc1 734978375 FNSRFPNQCWPZQU-UHFFFAOYSA-N 223.291 3.516 30 20 BHED CCCCCCCCCC(=O)Nc1cccnn1 736023786 SIHMHDKGFRYPGA-UHFFFAOYSA-N 249.358 3.556 30 20 BHED CCC(C)(C)C1CCC(=NNCC(F)F)CC1 740616409 LWHJADKWXYMEOR-UHFFFAOYSA-N 246.345 3.824 30 20 BHED C=C1CCN(C(=O)C2CCCCCCC2)CC1 741686422 KDEIXHKIWZXUOF-UHFFFAOYSA-N 235.371 3.526 30 20 BHED C=CCCCC(=O)Oc1cc(C)ccc1Cl 748516036 XPVDYBUFUMSVEL-UHFFFAOYSA-N 238.714 3.910 30 20 BHED COc1cccc(/C=C2/CCCC(C)(C)C2=O)c1 757533670 HKMDNBBGEFECDI-RAXLEYEMSA-N 244.334 3.858 30 20 BHED C(=NOC1CCCCC1)C1Cc2ccccc2C1 766478295 OXTLFVOBTNUTIJ-UHFFFAOYSA-N 243.350 3.737 30 20 BHED C#CCCCN1CCC[C@@H]1c1ccc(Cl)cc1 766896320 LPOGOZRSCIAQMF-OAHLLOKOSA-N 247.769 3.890 30 20 BHED CC[C@H]1C[C@H](C)CCC1=NNc1ccc(F)cn1 769587775 YTEBTEGZLDIBDR-MNOVXSKESA-N 249.333 3.835 30 20 BHED CC1CCC(=NNc2cc(Cl)ccn2)CC1 777906786 GLQKMRTZZOKOLO-UHFFFAOYSA-N 237.734 3.713 30 20 BHED CC(CC1CCC1)=NNCCC(C)(C)C 782903106 PQCZGFKXTVSUCL-UHFFFAOYSA-N 210.365 3.578 30 20 BHED CCC(CC)NN=C1CC[C@@H](C)C[C@H]1C 783845731 JOYXZVCIAWOSDU-GHMZBOCLSA-N 210.365 3.577 30 20 BHED CCCC(CCC)=NN[C@@H](C)C(C)(C)C 793114376 GHPMLBGXYKVEMM-NSHDSACASA-N 212.381 3.967 30 20 BHED C[C@H]1C[C@H]1c1ccc(C=NNCC2CCCC2)o1 808006292 QGJSHYXAHAXKIP-SMDDNHRTSA-N 246.354 3.517 30 20 BHED C=CCCCCOC(=O)[C@@H](F)c1ccccc1 811012015 UNAXCWJQDKNVBG-ZDUSSCGKSA-N 236.286 3.597 30 20 BHED C[C@H](CC=NOC1CCC1)c1ccccc1 812235325 SDANPRCNGPSUGJ-GFCCVEGCSA-N 217.312 3.735 30 20 BHED CCCCCCCC(=O)N[C@@H]1CCCC[C@H]1F 839849529 WAGNXAKNGYSUBL-CHWSQXEVSA-N 243.366 3.744 30 20 BHED CCCCC[C@H](C)NCCc1ccc(C#N)cc1 850485523 KRPJLSIYZKTUDO-AWEZNQCLSA-N 244.382 3.659 30 20 BHED C=C1CCC(C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 887913763 ZBNFDNMJBUUDBU-STQMWFEESA-N 235.371 3.522 30 20 BHED CC(C)CNN=Cc1ccc(Cl)cc1Cl 916365641 FHUZDVKKQPWHJO-UHFFFAOYSA-N 245.153 3.573 30 20 BHED C=CCC[C@H]1CCCN1C(=O)CC1=CCCCC1 1120733006 CWOYTNWOEFINJB-HNNXBMFYSA-N 247.382 3.834 30 20 BHED CC(C)CC[C@H]1CC[C@@H](NCC2(C#N)CCC2)C1 1179771725 LXCHLPULROGUFR-LSDHHAIUSA-N 248.414 3.875 30 20 BHED C[C@H]1C[C@H]1c1ccc(C=NOC(C)(C)C)o1 1319685003 JFYCQJABRIPDKI-GXSJLCMTSA-N 221.300 3.552 30 20 BHED CCC[C@H](C)c1nnc(-c2cccc(C#N)c2)o1 1341640501 NNJOJESTUOQYIO-JTQLQIEISA-N 241.294 3.512 30 20 BHED C=C(C)CCC(=O)N1CCC[C@]1(C)CC(C)C 1354897234 ATACKAXXSDARAY-OAHLLOKOSA-N 237.387 3.770 30 20 BHED CC(C)C[C@@H]1CCCCCN1CC1(CC#N)CC1 1615584735 WPVLVSOOQFWJOI-HNNXBMFYSA-N 248.414 3.971 30 20 BHED C[C@@H](CCC#N)N(C)C[C@H](C)C1CCCCC1 1654474734 KIJIFJDOCLHNLC-KBPBESRZSA-N 236.403 3.827 30 20 BHED O=[N+]([O-])c1cccc(NN=C2CCCCCC2)c1 7950178 VAJPLGHBAKEMAG-UHFFFAOYSA-N 247.298 3.717 30 20 BHED N#Cc1ccc(NCc2cccc(Cl)c2)cc1 19951509 GHLUSFKWWWERQC-UHFFFAOYSA-N 242.709 3.824 30 20 BHED C=CCNc1ccccc1-c1ccccc1 50521753 KINUYTFPPXYSPC-UHFFFAOYSA-N 209.292 3.952 30 20 BHED C=C(C)CN(C)[C@H](C)c1ccccc1Cl 52162767 VUGSTHBOMGPSIT-LLVKDONJSA-N 223.747 3.909 30 20 BHED CCCCCCCOc1cccc(CO)c1 100021029 QRNKZCGQHKSTDE-UHFFFAOYSA-N 222.328 3.528 30 20 BHED CCC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 118393890 KZZJTKPSFVEDKO-ZDUSSCGKSA-N 242.366 3.741 30 20 BHED C[C@H](CNc1cc(Cl)ccc1C#N)C1CC1 124666211 ZOSAIDWEVGGQOT-SECBINFHSA-N 234.730 3.670 30 20 BHED C#CCCCCC(=O)Nc1ccccc1C(C)C 179703741 CEPPCHRCVSKPMC-UHFFFAOYSA-N 243.350 3.942 30 20 BHED N#C[C@@H](Sc1cccc(O)c1)C1CCCCC1 185692472 PDHHNNJXSNXUCK-CQSZACIVSA-N 247.363 3.957 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccccc1CC 191801315 SOAWSOQYEYIAGU-OAHLLOKOSA-N 231.339 3.790 30 20 BHED CC1(C)C[C@H]1CNc1ccc(Cl)cc1C#N 226531153 XBZDZROXXHCBTI-JTQLQIEISA-N 234.730 3.670 30 20 BHED CC(C)(CCC#N)CNCC[C@H]1C[C@H]2CC[C@H]1C2 246183284 NMRYONNDTHLFIQ-KKUMJFAQSA-N 248.414 3.732 30 20 BHED C=CC[C@H](C)N[C@@H](CC)c1ccc(F)cc1O 286105165 MTFVHUOMDUYFOV-GWCFXTLKSA-N 237.318 3.537 30 20 BHED C=CCCC[C@H](C)Nc1nc2ccccc2o1 302034784 UFYJQLWDNWCUIY-NSHDSACASA-N 230.311 3.985 30 20 BHED CCN(Cc1ccc(F)c(C#N)c1)CC(C)(C)C 311048521 QHGXSVFXQXMURZ-UHFFFAOYSA-N 248.345 3.565 30 20 BHED N#CCc1cccc(NCc2cccc(F)c2)c1 313504122 YRJBDANTSCZWNG-UHFFFAOYSA-N 240.281 3.504 30 20 BHED C=C(CC)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 313506335 QYJVUSIECXKGNN-GFCCVEGCSA-N 248.326 3.520 30 20 BHED CCSc1cccc(CN(CC)CCC#N)c1 352010372 CNOBQYXZQAPTFY-UHFFFAOYSA-N 248.395 3.534 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(F)cc1 381312148 ANDNSUQUNXIBAZ-SMDDNHRTSA-N 221.319 3.831 30 20 BHED CCCCC[C@@H](N[C@@H](C#N)CC)C(C)(C)C 381591997 JXGZZEQRSXGSAX-CHWSQXEVSA-N 224.392 3.873 30 20 BHED CC1(C)CCC[C@@H]1Nc1ncc(C#N)cc1Cl 426387983 DRPQTORABSZSAE-NSHDSACASA-N 249.745 3.597 30 20 BHED C=CCCCC[C@@H](C)NC[C@H](C)C(F)(F)F 449259390 TYEZTLLOCGQDJP-WDEREUQCSA-N 237.309 3.909 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1CC[C@H](F)C1 449332699 RYTRSRHMTRFJAR-RWMBFGLXSA-N 213.340 3.602 30 20 BHED C=CCC[C@@H](CC)N[C@@H]1CCC[C@@H]2C[C@@H]21 459777464 VZQGFTCWDCFPNF-YIYPIFLZSA-N 207.361 3.509 30 20 BHED C=C1CCN(CCCc2cccc(C)c2)CC1 481086364 DCULUVZRQLVXER-UHFFFAOYSA-N 229.367 3.580 30 20 BHED C=CCSCc1cccc(OC(F)F)c1 522283344 YRZGARUBKUQKEX-UHFFFAOYSA-N 230.279 3.707 30 20 BHED CCN(CC#Cc1cccc(Cl)c1)CC(C)C 532606039 ZPFOCUKIJVNJPI-UHFFFAOYSA-N 249.785 3.669 30 20 BHED C=CCCC[C@H](C)N[C@H](CC)C1CCOCC1 537309416 XQYRWYQQENCFHB-DZGCQCFKSA-N 239.403 3.526 30 20 BHED N#CC1(COc2ccc(Cl)c(Cl)c2)CC1 539759975 VFCVIWCSUKBHSR-UHFFFAOYSA-N 242.105 3.676 30 20 BHED CC[C@@H](C#N)Nc1cc(C)cc(C(F)(F)F)c1 616918259 IEVYTOVISBMVOJ-JTQLQIEISA-N 242.244 3.728 30 20 BHED C=CCN(C(=O)c1ccccc1CC)C(C)(C)C 622944556 XLAXWHYHBAJCMP-UHFFFAOYSA-N 245.366 3.676 30 20 BHED CCC(C)(C)CC(=O)Nc1cc(C)cc(C#N)c1 697200640 YBIKMUSCXJYGDN-UHFFFAOYSA-N 244.338 3.632 30 20 BHED C=CCN(C(=O)CCCC1CCCC1)C(C)C 742638723 KZGPTNQSULSGQY-UHFFFAOYSA-N 237.387 3.770 30 20 BHED CC(=NOC1CCCC1)c1ccc(C)s1 774608403 MKWAIAJPNODGMY-UHFFFAOYSA-N 223.341 3.740 30 20 BHED C#CC[C@H](NCCC(C)(C)C)c1ccccc1 775399141 PPNUUBYOLMFRHE-HNNXBMFYSA-N 229.367 3.777 30 20 BHED C=CCN(CC=C)C(=O)[C@@H](CC)CCCCC 775639093 LEQSYKAABUPASX-AWEZNQCLSA-N 237.387 3.794 30 20 BHED CC(C)(C)CCNN=Cc1cccc2[nH]ccc12 782902452 APDVKFAYYHZEQD-UHFFFAOYSA-N 243.354 3.528 30 20 BHED O=C(/C=C/c1ccsc1Cl)c1ccco1 790222794 VXQCZNBWOKHIED-ONEGZZNKSA-N 238.695 3.891 30 20 BHED C=CCOc1ccc(OC(=O)C[C@H](C)CC)cc1 790683907 UWSUEKYLKYCBDE-GFCCVEGCSA-N 248.322 3.593 30 20 BHED C[C@@H](OC(=O)CCCCCC#N)c1ccccc1 805695890 NCEHMJOVMACGFG-CYBMUJFWSA-N 245.322 3.765 30 20 BHED C#C[C@H](CC)N[C@@H](C)[C@H](C)c1ccc(Cl)cc1 809686338 MIHJQYBEHPAVKQ-SLEUVZQESA-N 249.785 3.833 30 20 BHED CC(=NOC1CCC1)c1cc(C)c(C)cc1C 812237766 DCDFJHJQMGUDIA-UHFFFAOYSA-N 231.339 3.905 30 20 BHED CC(=NNc1ccccc1F)c1cc(C)oc1C 812460112 KZQHZNQSCVUOGR-UHFFFAOYSA-N 246.285 3.872 30 20 BHED C/C(=C\Cl)CS[C@@H]1CC[C@H](C#N)C1 829541748 BYRJBGDOPBSHAD-AIYFBYTFSA-N 215.749 3.554 30 20 BHED CC(=NNc1ccc(C(C)C)cc1)[C@H]1CCOC1 835018920 XZVRGYYRSBFXIQ-AWEZNQCLSA-N 246.354 3.634 30 20 BHED C=CCCC[C@H](C)OC(=O)CC1CC(F)(F)C1 835269789 KYJNPBQSARYVHG-JTQLQIEISA-N 246.297 3.710 30 20 BHED C=C(C)CNc1cccc(F)c1SC 849316833 CXVMLMCXBKNHKO-UHFFFAOYSA-N 211.305 3.536 30 20 BHED Cc1ccc(NN=Cc2ccccc2C)cc1 916250454 GOEHRVWYRZWDHJ-UHFFFAOYSA-N 224.307 3.749 30 20 BHED C=C(C)CCN(C)Cc1cc2ccccc2[nH]1 1116673587 IJGFRULXBJIRSS-UHFFFAOYSA-N 228.339 3.566 30 20 BHED C=CC(C)(C)CNC(=O)C1CCCCCCC1 1344416001 ZIDLAHVDINBTCE-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=C(CC(C)C)C(=O)Nc1cscc1C 1348149994 WLAFZGMHSOGKAH-UHFFFAOYSA-N 223.341 3.597 30 20 BHED C=C(CC)C(=O)N1CCC[C@H]1c1cccc(C)c1 1348561033 ZTBUHEFFDQESPN-HNNXBMFYSA-N 243.350 3.625 30 20 BHED CC(C)C[C@@H]1CCCCN1C[C@H](C)CCC#N 1621155042 MLRIYSQZMKKYGN-CABCVRRESA-N 236.403 3.827 30 20 BHED CC(C)CC[C@@H](C)Nc1cccc(F)c1C#N 36138675 FDWITOFYKKTSHA-LLVKDONJSA-N 234.318 3.934 30 20 BHED O=C(/C=C/c1ccc(F)cc1)c1cccc(F)c1 57435466 IMKGVXFXAVWALO-RMKNXTFCSA-N 244.240 3.861 30 20 BHED CCCCCCCNCc1cccc(F)c1 59055180 AXGMAUJJABYKEC-UHFFFAOYSA-N 223.335 3.886 30 20 BHED C=CCCC(=O)CSc1cccc(C)c1 85106669 YWHYSBDEDWNRSI-UHFFFAOYSA-N 220.337 3.622 30 20 BHED C=CC[C@@H](C)Nc1nc2ccccc2s1 124042901 KZGVZOURSWCPRM-SECBINFHSA-N 218.325 3.673 30 20 BHED C=CC[C@@H](C)N[C@H]1CCCc2ccc(OC)cc21 163341752 LSENGBZAMLPSEB-WBMJQRKESA-N 245.366 3.627 30 20 BHED C=CC[C@H](C)NC1CC(c2cccc(F)c2)C1 167510399 NUBTWTGWQPIRLL-ZOODHJKOSA-N 233.330 3.626 30 20 BHED C=C(C)CN(CC)Cc1ccc(Cl)cc1C#N 186562285 FIMGGVCXVPUGFL-UHFFFAOYSA-N 248.757 3.610 30 20 BHED C=CCC1(C(=O)N(C)c2ccc(F)cc2)CCC1 189075023 MEDXDFQDHZAAQZ-UHFFFAOYSA-N 247.313 3.535 30 20 BHED CC(C)[C@@H](C)SCc1ccc(C#N)cc1 231192403 CJPQEEPYRNHLNU-LLVKDONJSA-N 219.353 3.836 30 20 BHED C=CCCC[C@@H](C)NC[C@@H]1CC=CCC1 308815146 AKZSQPYEEHWWHC-ZIAGYGMSSA-N 207.361 3.677 30 20 BHED C=CCNc1ccccc1-c1csc(C)n1 309730200 ZNWWCPVUALAJHJ-UHFFFAOYSA-N 230.336 3.716 30 20 BHED C[C@H](SCC1(C#N)CC1)c1ccccc1 344454658 GLNMPCOUTZMVRR-NSHDSACASA-N 217.337 3.785 30 20 BHED C=CCCC1(C(=O)N2CCCC(C)(C)CC2)CC1 356200107 GQJLAWXJSRGBLJ-UHFFFAOYSA-N 249.398 3.772 30 20 BHED CC1(C)CC[C@H](CSc2ccc(C#N)cc2)O1 412993283 OEKIXQVAXRCGBV-GFCCVEGCSA-N 247.363 3.608 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccncc1Cl 421862603 XIMAOPUYTCVSMQ-WDEREUQCSA-N 238.762 3.740 30 20 BHED C=CCCCC[C@@H](C)NCC(C)(C)OCC 449267490 ZTGFZZRYYKCRCV-CYBMUJFWSA-N 227.392 3.526 30 20 BHED CC(C)Oc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 449467024 KAVIAUZJWGFSCQ-JSGCOSHPSA-N 244.338 3.578 30 20 BHED C=CCCCC[C@@H](C)N[C@H](C)c1nccn1CC 449565728 KJTYFAKXMHCOBO-ZIAGYGMSSA-N 249.402 3.689 30 20 BHED N#Cc1c(Cl)cccc1N[C@@H]1CCC[C@@H]1F 450544951 SSSNLWPBABMIPW-CMPLNLGQSA-N 238.693 3.514 30 20 BHED CCN(CC1(C#N)CCC1)[C@@H]1CCCC[C@H]1C 450809271 KCYORVCYDMLMAY-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED C=CCCCC[C@H](C)N[C@H](CCO)C(C)(C)C 453188469 BWAYOZUAGLMALH-UONOGXRCSA-N 241.419 3.508 30 20 BHED C=C(C)CCN[C@@H](C)C(C)(C)c1ccccc1 508977438 NHILZJLLJCJICF-AWEZNQCLSA-N 231.383 3.909 30 20 BHED C=C(C)CCN(C)CCCc1ccccc1 509020717 CRTQCOYLMJFOSE-UHFFFAOYSA-N 217.356 3.517 30 20 BHED C=CCCCCCN(C)C(=O)[C@@H]1CC[C@H](C)C1 540656703 RAUVVOIZITYRIP-UONOGXRCSA-N 237.387 3.627 30 20 BHED C=CCCC[C@@H](C)NCc1cc2cnccc2o1 651748246 DMIGGIWTOITBSE-GFCCVEGCSA-N 244.338 3.662 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)c1cccnc1 678698412 RFNLUDWTWAAVPI-UONOGXRCSA-N 232.371 3.867 30 20 BHED N#CCC1(CN2CC[C@@H](C3CCCCC3)C2)CC1 708832908 TVYNMESYKJUPEW-OAHLLOKOSA-N 246.398 3.582 30 20 BHED C=CCCCN(CCc1ccccc1)C1CC1 735490126 GFAYIVRNIJUJGO-UHFFFAOYSA-N 229.367 3.660 30 20 BHED C=C(Cl)CNC(=O)[C@@H](CC)CCCCCC 736243243 WGYGXFAEEWQSHE-LBPRGKRZSA-N 245.794 3.852 30 20 BHED COc1ccc([C@@H](C)C(C)=NOCC(C)C)cc1 749626271 OQFXJDSSGMFAHX-LBPRGKRZSA-N 249.354 3.847 30 20 BHED CC1(C)CCCC1=NNc1ccccc1F 749860433 ZXFFOAITLQXCOD-UHFFFAOYSA-N 220.291 3.804 30 20 BHED C=CCCCSCCN(C(C)C)C(C)C 762203821 JCVIUKNOPYSDTE-UHFFFAOYSA-N 229.433 3.805 30 20 BHED C=C(CC)COC(=O)C[C@@H](C)c1ccccc1 773425613 VDHKUHZPBDLGLO-CYBMUJFWSA-N 232.323 3.690 30 20 BHED C#CCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 776026186 KAZGTCSPBMXDCP-TUKIKUTGSA-N 247.769 3.650 30 20 BHED CC1(C=NNc2ncc(Cl)cc2Cl)CC1 782152888 UXDKZPXGRMCYIV-UHFFFAOYSA-N 244.125 3.586 30 20 BHED Fc1ccc(NN=C2CCC23CCC3)c(F)c1 799863808 CBQWJQCFTPNLKR-UHFFFAOYSA-N 236.265 3.697 30 20 BHED CCCC(CCC)SCCO[C@H](C)C#N 801657157 GWFHYWLLHWOMOI-LLVKDONJSA-N 229.389 3.617 30 20 BHED CCCC[C@H](C)C(C)=NNc1ccccn1 807950093 NWOQQDGFHFEQEB-NSHDSACASA-N 219.332 3.696 30 20 BHED C#CCOCSc1ccc2ccccc2c1 814718235 OFEPZQRZAGUWIP-UHFFFAOYSA-N 228.316 3.539 30 20 BHED C=C(Cl)CN[C@H](C)Cc1coc2ccccc12 824098280 KCXJOMACJHXSLV-LLVKDONJSA-N 249.741 3.706 30 20 BHED C=CCc1ccccc1OC(=O)OC1CCCC1 829724430 LSOIMCPQUOHPFT-UHFFFAOYSA-N 246.306 3.873 30 20 BHED CCC(C[C@@H](C)CC)=NN[C@H](C)C(F)(F)F 834995992 MZTNDBPFELKNQX-DTWKUNHWSA-N 238.297 3.729 30 20 BHED N#Cc1cccc(SCOC2CCCCC2)c1 865359425 KBWHTQZYZFFBKZ-UHFFFAOYSA-N 247.363 3.957 30 20 BHED C=C1CCC(C(=O)N2CCC[C@H]2C(C)(C)C)CC1 888817423 SBQRBEOAQGTEPE-AWEZNQCLSA-N 249.398 3.770 30 20 BHED N#Cc1ccc(N[C@H](c2ccccn2)C2CC2)cc1 895795919 YGFIPJWOQCUSGT-INIZCTEOSA-N 249.317 3.516 30 20 BHED C=CCCCN[C@H](C)c1ccc(C(C)(C)O)cc1 926321760 BTMIITQIKMOEEZ-CYBMUJFWSA-N 247.382 3.531 30 20 BHED CC1=C(C)CN(CCCCC2(C#N)CCC2)CC1 930298791 QVYQFMGVNBAWPH-UHFFFAOYSA-N 246.398 3.893 30 20 BHED CC(C)(C)ON=CCCc1ccc(F)cc1 1256730001 OVVHVRJEVZNOMR-UHFFFAOYSA-N 223.291 3.559 30 20 BHED C=C1CCC(C(=O)N2CCC[C@@H](C(C)C)C2)CC1 1334935843 XGCGQUSRWATIJF-OAHLLOKOSA-N 249.398 3.627 30 20 BHED C[C@@H]1CCCC[C@H]1COc1cccc(C#N)c1 1656180358 XMAUWHMDPXRZSL-OCCSQVGLSA-N 229.323 3.763 30 20 BHED Cc1ccc(C)c(NCc2ccc(C#N)cc2)c1 19964630 BCGQZBUBHCKUIF-UHFFFAOYSA-N 236.318 3.787 30 20 BHED C#CCCN[C@H](Cc1ccccc1)c1ccccc1 70197460 XQTGKJCLVVUUSO-GOSISDBHSA-N 249.357 3.583 30 20 BHED CC[C@@H](Cc1ccccc1)N(C)CCCCC#N 128674618 XRGQUHVJXBSLIA-INIZCTEOSA-N 244.382 3.633 30 20 BHED C=C(Cl)CN[C@H]1c2cc(C)ccc2C[C@@H]1C 134586829 TXPOGQXYCHMRIP-IINYFYTJSA-N 235.758 3.570 30 20 BHED C=CCCN[C@H](C)c1ccc(SC)cc1 162200782 BCGPKSXRHSGQDR-LLVKDONJSA-N 221.369 3.635 30 20 BHED C[C@H](NC[C@H](C)C(C)(C)C)c1ccc(C#N)cc1 162732580 JPKTUSJKXWFRIU-STQMWFEESA-N 244.382 3.891 30 20 BHED CC(C)(C#N)CCCCN1CCCC(C)(C)C1 232803522 PWJRUALMTLQZET-UHFFFAOYSA-N 236.403 3.828 30 20 BHED CC[C@H]1CCCCN1CCCCC(C)(C)C#N 234067436 DVNALPMFLFFUEG-AWEZNQCLSA-N 236.403 3.971 30 20 BHED CC(C)=CCCN[C@H](C)c1ccc(C#N)cc1 276599526 JWMSJVHGAPMLAK-CYBMUJFWSA-N 228.339 3.565 30 20 BHED C=C(Cl)CSc1nc(C)c(C)s1 307619092 WBVKMTXACFHXOH-UHFFFAOYSA-N 219.762 3.605 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H](C)CCC1CC1 308818859 BIGVGKSNEMLFDQ-YNEHKIRRSA-N 209.377 3.755 30 20 BHED C=CC[C@H](C)NC[C@@H]1C(C)=CCC[C@H]1C 309004735 PJGZLIKSHWYDQY-HZSPNIEDSA-N 207.361 3.533 30 20 BHED C=CCCCC[C@H](C)N[C@H]1CCC[C@H]1C 309019861 WJNNTHHYVPIXLM-RDBSUJKOSA-N 209.377 3.900 30 20 BHED C=CC[C@H](CC)NCc1ccc(CC)cc1 309475145 RPRGBOICRULWKM-HNNXBMFYSA-N 217.356 3.693 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1ccc(OC)cc1 310901247 WGMZNSYXXFEUEV-ZDUSSCGKSA-N 247.382 3.948 30 20 BHED O/C(=N/C1CCCC1)c1coc(C2CCCC2)n1 328767062 BAUQSDHQKPCBTN-UHFFFAOYSA-N 248.326 3.579 30 20 BHED C=C1CCN(Cc2ccc(F)cc2Cl)CC1 353286570 OIWBCXUDVZLJEC-UHFFFAOYSA-N 239.721 3.631 30 20 BHED Cc1cc(C#N)cc(C)c1OCCCCCF 380160038 KSRSAJRXPGADCC-UHFFFAOYSA-N 235.302 3.694 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccc2c(c1)CCO2 393777082 NUMORUOGCXYKPF-SWLSCSKDSA-N 245.366 3.627 30 20 BHED N#CCc1ccc(CSC2CCCC2)cc1 399092152 UIEZFIMDCTZMIJ-UHFFFAOYSA-N 231.364 3.928 30 20 BHED C[C@@H]1CN(CCCCC(C)(C)C#N)[C@H](C)[C@@H]1C 399657155 KFVXQKVYIHQBGI-MGPQQGTHSA-N 236.403 3.683 30 20 BHED CC(C)(CC#N)CN[C@@H](c1ccccc1)C1CC1 414160442 DCZNXNBRNDGRIS-HNNXBMFYSA-N 242.366 3.667 30 20 BHED CC[C@@H](NCC(C)(C)CCC#N)[C@@H]1CC1(C)C 414171193 WYZOSPGVTAQPGE-QWHCGFSZSA-N 236.403 3.731 30 20 BHED C=C(C)CCc1noc(-c2cccc(F)c2C)n1 421275284 RYEHHUHMCKPYOK-UHFFFAOYSA-N 246.285 3.693 30 20 BHED CCC(CC)N[C@H](CC)c1ccc(C#N)cc1 447513981 AEFYHUXYLQSAIB-OAHLLOKOSA-N 230.355 3.788 30 20 BHED C=CC[C@@H](C)N[C@H](C1CCCC1)C1CC1 453142753 KNYLJKYNPGVQLK-BXUZGUMPSA-N 207.361 3.509 30 20 BHED CC#CCCN(C)[C@H](C)Cc1ccc(Cl)cc1 462321830 XBJFUIVMIFWOAE-CYBMUJFWSA-N 249.785 3.616 30 20 BHED CCC1CCN(c2c(Cl)cccc2C#N)CC1 462784718 IJSVFQGEKXYJQF-UHFFFAOYSA-N 248.757 3.838 30 20 BHED C=CCCC1(C(=O)N2CCC[C@H](C(C)C)C2)CC1 476896514 RLBQHTCBWLRQBL-AWEZNQCLSA-N 249.398 3.627 30 20 BHED C=C[C@H]1CCCCN1Cc1ccc(F)c(F)c1 489407443 UJOIDVWNSGCPNO-LBPRGKRZSA-N 237.293 3.505 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@H]1CCCC1(C)C 489978255 LRDUTQQZJQKYRV-LBPRGKRZSA-N 237.387 3.531 30 20 BHED CCCCCN(CCCC#N)[C@H](C)CCC 514009472 GKQMDNMJHZOBRM-CQSZACIVSA-N 224.392 3.971 30 20 BHED C[C@@H]1CCN(CCC(C)(C)C#N)[C@H]2CCCC[C@H]21 537364535 WMIQGLDNGCOZBI-ILXRZTDVSA-N 248.414 3.827 30 20 BHED C[C@]1(C#N)CCCN([C@H]2C=CCCCCC2)C1 590173238 SWFJEMFWRAVSRG-LSDHHAIUSA-N 232.371 3.501 30 20 BHED Cc1cc(C)cc([C@H](C)NC[C@H](C)CCC#N)c1 602540193 XDJKKJMIFXCJEZ-DOMZBBRYSA-N 244.382 3.894 30 20 BHED C(=NNc1cccc2ccccc12)c1cc[nH]c1 745194935 FVFZLQOYIPEXDO-UHFFFAOYSA-N 235.290 3.614 30 20 BHED CCCCCCC=NNc1nc2ccccc2[nH]1 755488860 BXNSKLRXRPMBPW-UHFFFAOYSA-N 244.342 3.931 30 20 BHED N#C[C@H](OC(=O)CC1CCCC1)C1CCCCC1 776360835 YJOSRRNDQVLSHJ-AWEZNQCLSA-N 249.354 3.582 30 20 BHED CCc1cccc(CN(CCC#N)CC(C)C)c1 787251206 JLFCLDIXLWOECT-UHFFFAOYSA-N 244.382 3.621 30 20 BHED CC[C@@H](C)NN=C[C@@H](C)CCc1ccccc1 790183968 PYQQTYJZQFNZQM-UONOGXRCSA-N 232.371 3.629 30 20 BHED CC[C@@H](C)CON=C[C@@H]1CCc2ccccc21 793162747 BWRQKVWPLGYFRB-OCCSQVGLSA-N 231.339 3.765 30 20 BHED CC1(C)CCCC[C@H]1NN=C1CCC[C@@H](C#N)C1 814917653 NXTCVUUCAIGDIZ-TZMCWYRMSA-N 247.386 3.615 30 20 BHED CCC(=NOCC(F)(F)F)C1CCCC1 834965621 SQQUHPBWLJPHQO-UHFFFAOYSA-N 223.238 3.522 30 20 BHED C[C@@H]1CCCCCC1=NNc1ccc(F)cn1 844582439 IVRCXDCXDHLWMV-SNVBAGLBSA-N 235.306 3.589 30 20 BHED CC[C@@H](OCCON=C1CCC1)c1ccccc1 844765415 WFEMIMROCPWIOA-OAHLLOKOSA-N 247.338 3.711 30 20 BHED CC[C@H](CC#N)OC(=O)c1cccc(C(C)C)c1 850978974 DKIIZCVQISRSPD-CQSZACIVSA-N 245.322 3.659 30 20 BHED C=CC(C)(C)CC(=O)Nc1c(F)cccc1F 887610539 WHYIKVUOTTYKDT-UHFFFAOYSA-N 239.265 3.506 30 20 BHED C=CC(C)(C)Cc1nc(-c2ccsc2)no1 904296636 HLEQNLNNOSKJFH-UHFFFAOYSA-N 234.324 3.553 30 20 BHED Fc1cc(F)cc(NN=C/C=C\c2ccco2)c1 920374956 NVPYKBTXLHJFTP-BFHYJFETSA-N 248.232 3.669 30 20 BHED CC[C@H](C)CON=CCCc1ccc(F)cc1 1117717185 BXDCAFSVBCTNJO-LBPRGKRZSA-N 237.318 3.807 30 20 BHED CCN(CCC1(C#N)CCCCC1)C(C)(C)C 1117996947 NJCNPXAVKYLKMK-UHFFFAOYSA-N 236.403 3.971 30 20 BHED CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1 1254637634 SJFNTXFMHPPIAK-UGFHNGPFSA-N 246.329 3.559 30 20 BHED C=C(Cl)CN1CC[C@@H](c2ccc(CC)cc2)C1 1473510248 PLKMIVHFXLYCEZ-OAHLLOKOSA-N 249.785 3.791 30 20 BHED CC[C@@H](C)Sc1ccc(C#N)cc1F 36886978 KAYWASVTDFYEDQ-MRVPVSSYSA-N 209.289 3.588 30 20 BHED C=CCNc1nc(-c2ccccc2C)cs1 48640248 IICDWACXCJWDBD-UHFFFAOYSA-N 230.336 3.716 30 20 BHED C[C@@H](c1ccc(Cl)cc1)N1CCC(C#N)CC1 57872848 UJLOAHAXUJGGOI-NSHDSACASA-N 248.757 3.637 30 20 BHED Cc1ccc(F)cc1CNc1cccc(C#N)c1 83368230 IGWYISNDHODROT-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CCc1ccccc1N[C@@H]1CCC[C@H](C#N)C1 185722002 ZOZFDQGXWIALKX-GXTWGEPZSA-N 228.339 3.743 30 20 BHED C=CC[C@@H](C)[C@H](C)NCCCc1ncccc1C 295072822 RDUKJEQTIXPLML-HIFRSBDPSA-N 246.398 3.513 30 20 BHED C=CCC[C@@H](CC)N[C@@H](C1CC1)C(F)(F)F 310003591 FSCGAIDVVGSPQB-MNOVXSKESA-N 235.293 3.662 30 20 BHED C=CCCN1CCC[C@H]1c1cccc(F)c1 338547116 RAZLVTCMBMMEPR-AWEZNQCLSA-N 219.303 3.539 30 20 BHED Cc1ccc(F)c(/C=C/c2ccncc2C#N)c1 349105161 GCLPIWFJVSWWCS-ONEGZZNKSA-N 238.265 3.571 30 20 BHED C[C@H](CCC#N)N1CCC2(CCCCC2)CC1 351267972 JHPBFTWTEAKENT-CQSZACIVSA-N 234.387 3.725 30 20 BHED C=C1CCN(Cc2ccc([C@H]3C[C@H]3C)o2)CC1 353285401 HLINVYXBVMIYGV-OCCSQVGLSA-N 231.339 3.555 30 20 BHED C=CC[C@@H](C)NCc1ccc(CCC)cc1 381469106 NPFTVXUSUOPCSU-CYBMUJFWSA-N 217.356 3.693 30 20 BHED C=C(C)CN1CC[C@@H](c2ccccc2)C[C@H]1C 439318609 PKJKZVKRFUYBMZ-GDBMZVCRSA-N 229.367 3.831 30 20 BHED C=CCCCC[C@H](C)N[C@H](CC)C(F)F 449364192 RIKQQXZOUGYQBM-WDEREUQCSA-N 219.319 3.755 30 20 BHED C=C(C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C 453314718 IMZJHNGFGCUACI-LBPRGKRZSA-N 248.326 3.520 30 20 BHED C=CCCSc1cccc(C(=O)OCC)c1 477043869 LYXBZLAEIUVRFZ-UHFFFAOYSA-N 236.336 3.532 30 20 BHED C=C(C)[C@H](N[C@H](C)CC)c1ccc(F)c(F)c1 501033535 ULECQUOZOUZHDF-YGRLFVJLSA-N 239.309 3.970 30 20 BHED C=CCC[C@@H](CC)N[C@H](CCOC)C(C)(C)C 511036332 FRUFZGHZBGINLM-ZIAGYGMSSA-N 241.419 3.772 30 20 BHED C=CCCCSCc1ccc(F)cc1C#N 522757577 NARXAYKDFPIYDH-UHFFFAOYSA-N 235.327 3.897 30 20 BHED Cc1ccc2ccccc2c1Cn1ccc(C#N)c1 535126821 LHHNLKRXNLXMRG-UHFFFAOYSA-N 246.313 3.870 30 20 BHED C=CC[C@@H](C)[C@H](C)Nc1cnn(CC(C)C)c1C 537474189 BHUVYHONTSDRJO-OLZOCXBDSA-N 249.402 3.860 30 20 BHED C=CCCC[C@@H](C)NC(=O)C1(CCC)CCC1 539435110 CGNRUNNCUUJMQT-CYBMUJFWSA-N 237.387 3.818 30 20 BHED C[C@H](CCC#N)CNCCC1=CCCCCC1 602610053 DOKJKLWKCIKACO-CQSZACIVSA-N 234.387 3.796 30 20 BHED C=CCN(C(=O)[C@@H]1CCC(C)(C)C1)C(C)(C)C 622944758 DLLQLIQDDSLLLH-GFCCVEGCSA-N 237.387 3.626 30 20 BHED C=CCCC[C@@H](C)NCc1ccc(Cl)cn1 703855855 MRCOVIZXBGWMFL-LLVKDONJSA-N 238.762 3.569 30 20 BHED C#Cc1ccc(CN[C@@H](C)CCCC=C)cc1 809631697 GSMGBMPQNSEZDN-AWEZNQCLSA-N 227.351 3.502 30 20 BHED CCC(=NOCc1ccccc1)c1ccco1 814792721 WIHNYHDYRDRKDX-UHFFFAOYSA-N 229.279 3.611 30 20 BHED CSc1ccc(C=NOC2CCCC2)s1 814894672 PEQHMIKNMBMYFL-UHFFFAOYSA-N 241.381 3.763 30 20 BHED Fc1cccnc1NN=C1CCCC12CCCC2 814927586 VYCJYSNJHOYFJA-UHFFFAOYSA-N 247.317 3.733 30 20 BHED C=CC(C)(C)C(=O)Oc1ccc(OC(C)C)cc1 826032642 GEXBHROEVHWFLZ-UHFFFAOYSA-N 248.322 3.591 30 20 BHED CC(C)c1ccccc1C=NO[C@@H]1CCCCO1 848406570 FYOAKFMBFHSXTB-OAHLLOKOSA-N 247.338 3.687 30 20 BHED C=CCC[C@H](C)Nc1ccc(OC)c(COC)c1 866499427 KZNFHZFXEGKNEI-LBPRGKRZSA-N 249.354 3.608 30 20 BHED COC[C@H](SCCCCC#N)c1ccccc1 901655200 GFJUEHPXCRNFHO-AWEZNQCLSA-N 249.379 3.801 30 20 BHED CC(=NN[C@@H](C)c1ccccc1)c1ccccc1 920385367 BGFFXACFSLSAQR-ZDUSSCGKSA-N 238.334 3.761 30 20 BHED C=C(C)CN(CC)C(=O)[C@@H](C)c1ccccc1C 930119001 KWCAMDCRGQYRDV-AWEZNQCLSA-N 245.366 3.523 30 20 BHED CC(C)CCC[C@@H](C)Nc1ncc(C#N)cc1F 1185065596 ZFXCYPLLNLVRIQ-LLVKDONJSA-N 249.333 3.719 30 20 BHED C=C[C@@H](COC)N[C@H](C)c1cccc(C(C)C)c1 1328716049 GEOMMOSNFHHMCF-CJNGLKHVSA-N 247.382 3.662 30 20 BHED Cc1ccc(SCc2cc(C#N)ccn2)s1 1652896833 UQYYHKIWFPKWON-UHFFFAOYSA-N 246.360 3.616 30 20 BHED CC(C)(C)CC(C)(C)NCc1ccccc1C#N 42254575 PRYDYFILWVDSPM-UHFFFAOYSA-N 244.382 3.863 30 20 BHED CC[C@@H](CC#N)N[C@@H](C)CCc1cccc(C)c1 54184001 LMAWIAISEKHFDX-HOCLYGCPSA-N 244.382 3.598 30 20 BHED CCCCCSCc1ccccc1C#N 58238956 OTFDTWLVKAFTQI-UHFFFAOYSA-N 219.353 3.982 30 20 BHED Cc1ccc(C)c(CN(CC#N)C2CCCC2)c1 78003577 CHGRJCGILGATMP-UHFFFAOYSA-N 242.366 3.572 30 20 BHED C[C@@H](NCC1(CC#N)CC1)c1cccc(Cl)c1 88249686 FONIXVUWOLOWAR-LLVKDONJSA-N 248.757 3.684 30 20 BHED C=CCCC(=O)O[C@H](C)c1ccc(F)c(F)c1 102506227 ANRLNAOECBGFST-SECBINFHSA-N 240.249 3.535 30 20 BHED CCCCCCCNCc1ccc2c(c1)CCO2 106237487 FSEDYUYBRCYXGR-UHFFFAOYSA-N 247.382 3.682 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1 119348401 SPHMDPXNWIRKNR-NXEZZACHSA-N 243.272 3.931 30 20 BHED C=CCC[C@H](C)N[C@@H](C)c1cc(C)oc1C 126687185 HLAIDULKBMYFLZ-JQWIXIFHSA-N 221.344 3.902 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cc(C)sc1C 161642014 XTNYDFLOTHXCSE-GXSJLCMTSA-N 223.385 3.980 30 20 BHED N#Cc1ccc(/C=C/c2coc3ccccc23)nc1 178982332 LYAVFXQIILSPJP-SOFGYWHQSA-N 246.269 3.870 30 20 BHED C=CCCCCN[C@@H](c1cncc(F)c1)C1CC1 281747800 VVHNRNDFMJMGDN-OAHLLOKOSA-N 248.345 3.618 30 20 BHED CCc1ccc2c(Cl)c(C#N)sc2c1 306829054 GRMJTDKCJRTXKX-UHFFFAOYSA-N 221.712 3.989 30 20 BHED C[C@@H]1CCCC[C@@]1(C)NCc1cccc(C#N)c1 308714743 NXJFJKBWAMSZBS-CZUORRHYSA-N 242.366 3.617 30 20 BHED Cc1nsc(NCCC(C)(C)C2CC2)c1C#N 336893935 VIZASROGZFKRGC-UHFFFAOYSA-N 249.383 3.561 30 20 BHED C=CC[C@@H](C)N[C@H](c1ccc(C)o1)C1CCC1 349506029 USVXNVIOAJOZNT-ABAIWWIYSA-N 233.355 3.983 30 20 BHED CCC(CC)(CC)CNc1cccnc1C#N 357535250 NFNNENYMIPTNGY-UHFFFAOYSA-N 231.343 3.582 30 20 BHED C=C(CC)CSCc1cccc(NC(C)=O)c1 358631403 AXVYXJWVEOSCST-UHFFFAOYSA-N 249.379 3.844 30 20 BHED C=CCCNc1ccc(SC(F)F)cc1 380324490 LMHULNRECXAYEM-UHFFFAOYSA-N 229.295 3.989 30 20 BHED C=CC(C)(C)CN[C@H]1CCc2c(F)cccc21 384928580 HVDPCRVQQKFJBD-AWEZNQCLSA-N 233.330 3.615 30 20 BHED C[C@H](NCCCCC#N)c1ccc(C2CC2)cc1 419363369 VUIZSUVXDMAXFO-ZDUSSCGKSA-N 242.366 3.908 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc(OC)cc1Cl 424281333 ILPFZHNTQBVKCO-NXEZZACHSA-N 239.746 3.574 30 20 BHED C=CCC(C)(C)c1nc(-c2ccccc2F)no1 426437253 MNFFURZVVDSBGA-UHFFFAOYSA-N 246.285 3.729 30 20 BHED Clc1cccc(C#CCNc2ccccc2)c1 448112792 UXILXQLYYQBXKB-UHFFFAOYSA-N 241.721 3.804 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCCC(C)C 467429718 ZZUGSSRFSFXBGM-ZFWWWQNUSA-N 239.403 3.920 30 20 BHED C=CCCCCN[C@H](C)Cc1ccccc1C 471588706 YSUNTXSRWWCCHJ-OAHLLOKOSA-N 231.383 3.872 30 20 BHED C=CCCCCCN(C)C(=O)CCCC=C 479598861 MFOSUXMFBKYYFD-UHFFFAOYSA-N 223.360 3.548 30 20 BHED CC[C@@H](N[C@H](C#N)C1CCCCC1)C(C)(C)C 523740670 YRJKLJQUXQMJDZ-ZIAGYGMSSA-N 236.403 3.873 30 20 BHED C=CCCCC[C@H](C)NCc1cccc(OC)c1 557885864 DJMUSJJNTIMGRL-AWEZNQCLSA-N 247.382 3.920 30 20 BHED C=CCCCCSCC1(C#N)CCC1 571659595 HWLRCKWOKSGCDX-UHFFFAOYSA-N 209.358 3.770 30 20 BHED C[C@@H]1CC[C@H](N[C@@H](C#N)c2ccccc2)[C@H](C)C1 595439992 LKRUHAOXLDLXJS-VDERGJSUSA-N 242.366 3.666 30 20 BHED CCN(Cc1ccc(C)cc1)C[C@@H](C)CCC#N 602440585 RHUIWUCKUFDTHH-HNNXBMFYSA-N 244.382 3.757 30 20 BHED CC[C@@H](NC[C@@H](C)C1CC1)c1ccc(C#N)cc1 618566865 JUOUHDYMHCIYLR-MLGOLLRUSA-N 242.366 3.645 30 20 BHED C=C(Cl)CN1CC[C@H](c2ccccc2C)C1 726070481 ABHNEOVXEXNJSV-ZDUSSCGKSA-N 235.758 3.537 30 20 BHED CCCCCCCCNC(=O)[C@@H]1C[C@H]1C1CC1 754855052 SVWKIZLYEYNYPW-UONOGXRCSA-N 237.387 3.509 30 20 BHED CCCCCC=NNc1ccc(F)cc1F 755464089 LUAODRAMZVMBHC-UHFFFAOYSA-N 226.270 3.943 30 20 BHED C#CCCCN[C@@H](c1ccccc1)C1CCC1 766921036 XIZGFSIHPXMIDD-INIZCTEOSA-N 227.351 3.531 30 20 BHED Cc1ccc(/C=C\C(=O)c2sccc2O)cc1 771744703 LWUSFARXXGOSDG-SREVYHEPSA-N 244.315 3.658 30 20 BHED C=C(CC)COC(=O)c1cccc(F)c1Cl 773520385 RVORSMGVRPYKOL-UHFFFAOYSA-N 242.677 3.602 30 20 BHED C#CCCCCCC(=O)NC1(C)CCC(C)CC1 779891302 ZKMXDNQXXUMOFE-UHFFFAOYSA-N 249.398 3.655 30 20 BHED CC[C@H]1CCCCC1=NNc1ncccc1C 790192868 IFCPPGAYQZOVFE-LBPRGKRZSA-N 231.343 3.758 30 20 BHED CCCCCCCCNC(=O)C(C)(C)C1CC1 807154043 GHWINUCHWDNVSI-UHFFFAOYSA-N 239.403 3.899 30 20 BHED C#CC(C)(C)NC(=O)[C@H](CC)CCCCCC 813452711 QDDZYBIUUSSCJM-CYBMUJFWSA-N 237.387 3.511 30 20 BHED CC(CCc1ccsc1)=NOCCC1CC1 814245814 JELQNORCXAKXJE-UHFFFAOYSA-N 237.368 3.873 30 20 BHED C=C(C)CCNC(=N)Nc1cccc(C(C)C)c1 849036299 NCBVKYFXDPIRCI-UHFFFAOYSA-N 245.370 3.712 30 20 BHED CC(C)ON=Cc1csc(C(F)(F)F)c1 863116550 SKSNCBGQQCFNPL-UHFFFAOYSA-N 237.246 3.526 30 20 BHED C=C1CCC(C(=O)N2[C@@H](CC)CC[C@H]2C)CC1 889845052 HMSGJGOFXFROTL-OCCSQVGLSA-N 235.371 3.522 30 20 BHED C#CCCCCCc1nnc(CC2CCCC2)o1 1326986955 KHTNTBVQAOJYBE-UHFFFAOYSA-N 246.354 3.538 30 20 BHED C=C(CC)C(=O)N(C1CC1)[C@@H](C)c1ccccc1 1349651961 CXJFKHREOPNVPG-ZDUSSCGKSA-N 243.350 3.705 30 20 BHED C=C(Cl)CN(CC(C)C)C(CC)CC 1644738230 CRBGAEBQJBYNRC-UHFFFAOYSA-N 217.784 3.886 30 20 BHED C=CCCN[C@@H](C)c1cccc(Cl)c1 70591796 CJXUMPPAVXTWIP-JTQLQIEISA-N 209.720 3.567 30 20 BHED CCC(CC)Nc1nc2ccccc2cc1C#N 83684602 VRBSASSPSOHDFZ-UHFFFAOYSA-N 239.322 3.707 30 20 BHED C#Cc1cccc(NC(=O)CCCCCCC)c1 104454528 IYXVILUGFGNCJU-UHFFFAOYSA-N 243.350 3.967 30 20 BHED CCCCCCCCCC(=O)N(C)C(C)C 104984650 MUZXVEXQGUGVRL-UHFFFAOYSA-N 227.392 3.994 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 119353738 LOXIHRPFWXWGMY-NXEZZACHSA-N 241.281 3.513 30 20 BHED CCCCCCCC(=O)N1CC[C@H](C)[C@@H]1C 177145734 HCXJCNPEGGVITJ-STQMWFEESA-N 225.376 3.604 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 191806987 GBLPUGONMGBPMW-DZKIICNBSA-N 249.398 3.770 30 20 BHED C[C@@H]1CCC[C@@H](N[C@H](C)c2cccc(C#N)c2)C1 218004141 JISFRFXNPKLZDW-XJKCOSOUSA-N 242.366 3.788 30 20 BHED Oc1ccccc1C=Nc1ccc2c(c1)CCC2 254772680 CUBNDWWMCBJZBL-UHFFFAOYSA-N 237.302 3.632 30 20 BHED C/C(=C\Cl)C[C@@]1(C=O)CCC[C@@H]1C 307539918 ZNYICGVNIYBVOY-RZABIFLQSA-N 200.709 3.524 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCCc2occc21 309624074 FGHFZKVOIKFLKR-WCQYABFASA-N 219.328 3.601 30 20 BHED C=CCCNc1c(C)cc(OC)c(C)c1C 309858788 LRPXZOGZNMTJOI-UHFFFAOYSA-N 219.328 3.608 30 20 BHED Cc1ccc(C)c([C@@H](C)NCCCCC#N)c1 338731516 BAWMVRFUOZTEBD-CQSZACIVSA-N 230.355 3.648 30 20 BHED CCCN(CCC#N)[C@H](CC)c1ccccc1 346589588 COPFHIPVNPYNQF-OAHLLOKOSA-N 230.355 3.763 30 20 BHED CC/C=C\CCOc1ccc(C#N)cc1OCC 362243387 YJLDNEICADWTDW-WAYWQWQTSA-N 245.322 3.692 30 20 BHED CC(C)N(CCCCC(C)(C)C#N)C1CCC1 409445034 BJWZMQUYKZYBJI-UHFFFAOYSA-N 236.403 3.969 30 20 BHED C=CC[C@H](CC)NC(=O)C[C@H](CC)C(C)C 410118868 IVEACGSKKKKVCH-STQMWFEESA-N 225.376 3.530 30 20 BHED C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CCC)C1 424716760 FRCGEGKFZOSEKO-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=CCC(C)(C)CNC(=O)Nc1ccc(C)cc1 432462073 RLFDPVDGIFXTIT-UHFFFAOYSA-N 246.354 3.719 30 20 BHED CC[C@@H](NCC(C)(C)C)c1ccc(C#N)cc1 447542995 QSDHBZXWKJCMKJ-CQSZACIVSA-N 230.355 3.645 30 20 BHED C=CCCCC[C@H](C)NCc1ccc(C)nc1 449085875 APNDSNAFJFSUBC-ZDUSSCGKSA-N 232.371 3.615 30 20 BHED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@H]1CCC[C@@H](C)C1 449765658 JVWLCVAUPMFVJU-OLMNGRFOSA-N 248.414 3.873 30 20 BHED C=CCC[C@H](C)Nc1cccc2ccn(C)c12 471758087 KZGVVAOLRKZHOY-LBPRGKRZSA-N 228.339 3.945 30 20 BHED C=CCN(Cc1ccn(C)c1)CC1CCCCC1 579335747 MEDIOHUHSSFPBH-UHFFFAOYSA-N 246.398 3.593 30 20 BHED CC(C)(C)C(=O)CS[C@H](C#N)c1ccccc1 582915350 LDPXNEBQYPCXOE-GFCCVEGCSA-N 247.363 3.600 30 20 BHED N#C[C@H]1CC[C@H](N2CCC(C3CCCC3)CC2)C1 590162094 LXPRMQFSZAHITO-BBRMVZONSA-N 246.398 3.581 30 20 BHED C[C@@H](CCC#N)CN1CCC[C@H]1c1ccsc1 602440041 NAHDFTXUPMPEKY-JSGCOSHPSA-N 248.395 3.825 30 20 BHED CC[C@H](C)CCNc1cc(C(C)=O)ccc1C#N 664231669 YBLVEDRMHLHJHL-NSHDSACASA-N 244.338 3.609 30 20 BHED CCCCC(CC)=NNc1ccccc1C(=O)O 732924234 UTOJVNLAFYGMCH-UHFFFAOYSA-N 248.326 3.753 30 20 BHED CCC(CC)NN=Cc1cc(C)c(C)cc1C 734364773 FFZRTGMLJYONEN-UHFFFAOYSA-N 232.371 3.724 30 20 BHED CC(=NNc1cccc(Cl)c1)C1CCC1 747626034 QHCNGOGKHRZJKG-UHFFFAOYSA-N 222.719 3.928 30 20 BHED C=CC[C@H](NC[C@H]1CC=CCC1)c1ccncc1 752079685 KGDNAIROXYWLSY-HOCLYGCPSA-N 242.366 3.645 30 20 BHED C[C@H](NCCCC#N)c1csc2ccccc12 754744257 SFKYKHPQKCUYAZ-NSHDSACASA-N 244.363 3.856 30 20 BHED C[C@H]1C[C@@H]1C=NNc1cccc2c1CCCC2 758372704 QXFZFYVZBMCKTM-WCQYABFASA-N 228.339 3.619 30 20 BHED C[C@H]1CC(C)(C)CC1=NOC1CCCC1 766029980 QSLULQWYBXOQSR-JTQLQIEISA-N 209.333 3.758 30 20 BHED C#CCCCCCC(=O)NCC1(C)CCCCC1 779936356 YJUXOBSBHPVAPW-UHFFFAOYSA-N 249.398 3.657 30 20 BHED CCCCC(CC)=NNC1CCCCC1 786043657 QSXHUWYEBKKFDN-UHFFFAOYSA-N 210.365 3.865 30 20 BHED CCC(CC)NN=Cc1ccsc1Cl 790164778 ZMQBZPZLWBYCMV-UHFFFAOYSA-N 230.764 3.514 30 20 BHED CCCCCCC[C@@H](C)CNCC1(C)COC1 796275497 LFJGFBPRXPHZFL-CQSZACIVSA-N 241.419 3.609 30 20 BHED C=CC[C@H](N[C@H]1CC=C(C)CC1)c1ccncc1 816551704 LXQGVZZCKFNMTN-HOTGVXAUSA-N 242.366 3.787 30 20 BHED CCCCCCCCC(=O)N=c1cc[nH]c(C)c1 831246475 NWJZCVPHQKXGQR-UHFFFAOYSA-N 248.370 3.501 30 20 BHED CC(=NNc1ccc(C(C)C)cc1)c1ccc[nH]1 835018206 ILWVMLMAKFVLPM-UHFFFAOYSA-N 241.338 3.974 30 20 BHED C=C[C@H](C)ON=C(C)CCc1cccc(F)c1 844625372 QUXXXHWSKCIJJY-LBPRGKRZSA-N 235.302 3.725 30 20 BHED CC[C@](C)(NC[C@@H](C)CCC#N)c1ccccc1 877046526 OUXGHHMIAGCJDT-HOCLYGCPSA-N 244.382 3.841 30 20 BHED C=C(CC)CN[C@H](CC)c1cccc(C#N)c1 903014045 MIDBQDJJNQELBP-OAHLLOKOSA-N 228.339 3.565 30 20 BHED CCC[C@H](CC)Sc1ccnc(C#N)c1 1186359036 JROOXFDLKYLQSY-NSHDSACASA-N 220.341 3.624 30 20 BHED Cc1cc(OC[C@@H](C)C(C)(C)C)ccc1C#N 1459059997 JKKJHYVDZGPQFN-GFCCVEGCSA-N 231.339 3.928 30 20 BHED CC[C@H](CC#N)N[C@H]1CC[C@@H](CCC(C)C)C1 1560616336 ZEEJPMRTEHZIJT-KFWWJZLASA-N 236.403 3.873 30 20 BHED C[C@H](CC1CCCCC1)CN1CCC[C@H](C#N)C1 1561003972 OCKFSYHRXVCVDY-GDBMZVCRSA-N 248.414 3.828 30 20 BHED Cc1ccccc1CSc1ncccc1C#N 54613352 VJKXIVPASYORIO-UHFFFAOYSA-N 240.331 3.554 30 20 BHED Cc1ccc(Sc2ccnc(C#N)c2)c(C)c1 61815489 PQJJHPKIJPNSGJ-UHFFFAOYSA-N 240.331 3.721 30 20 BHED CCCCCCC[C@@H](C)NCc1cc(C)on1 105985080 DWZFELGOTGKVAR-GFCCVEGCSA-N 238.375 3.822 30 20 BHED C=CCC[C@H](NCc1ccc(OC)cc1)C1CC1 119798855 KNFIXLIMWYYVFI-INIZCTEOSA-N 245.366 3.530 30 20 BHED C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C)[C@@H](C)C1 122658505 NPZZDFWSWPFFDH-RDBSUJKOSA-N 242.366 3.597 30 20 BHED C[C@@H](NCC(C)(C)C#N)c1cccc(Cl)c1 129202396 LYOTXDYOPUFWAQ-SNVBAGLBSA-N 236.746 3.540 30 20 BHED C=C[C@H](C)NCc1cc(Cl)cc(Cl)c1 130438292 NFKZHSKTMXLYJA-QMMMGPOBSA-N 230.138 3.658 30 20 BHED C=CCC[C@@H](NCCCCOC)c1ccccc1 159911700 ASPRXDVGADLNOO-MRXNPFEDSA-N 247.382 3.710 30 20 BHED C#CCCCN[C@@H](C)c1ccc2ccccc2c1 174274248 XQFJOTIZJUPPKO-AWEZNQCLSA-N 237.346 3.904 30 20 BHED O=[N+]([O-])c1ccc(NN=CC2CCCCC2)cc1 254824174 YKTUJYQQMTVDMB-UHFFFAOYSA-N 247.298 3.573 30 20 BHED Cc1ccc(CON=Cc2ccc(F)cc2)cc1 255907207 LHRBZZLNLGWEKI-UHFFFAOYSA-N 243.281 3.685 30 20 BHED COc1cccc(CS[C@@H]2CC[C@H](C#N)C2)c1 278603239 QWTDBZYISUPTDO-SMDDNHRTSA-N 247.363 3.621 30 20 BHED C=C(C)CCN[C@H](CC)c1cc(F)ccc1F 351762447 YXDNHEIOXDDHHQ-CQSZACIVSA-N 239.309 3.972 30 20 BHED C=C(C)CCN[C@@H](C)c1cnc2ccsc2c1 386776172 LIUYEHIQKXCSCT-NSHDSACASA-N 246.379 3.913 30 20 BHED C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C 412826654 QZEWHVBEPNACAP-VXGBXAGGSA-N 237.387 3.530 30 20 BHED C[C@H]1C[C@@H](NCC(C)(C)CC#N)c2ccccc21 414165996 MTTMRSVRQFUGJV-SWLSCSKDSA-N 242.366 3.764 30 20 BHED CC[C@@H](NC1CCC(C)(C#N)CC1)[C@@H]1CC1(C)C 417400719 KYHYAULFNNQQJA-IOSBVQAASA-N 248.414 3.873 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCC[C@H](C)C1 425455201 HKNQUAFAYQYRMC-QWHCGFSZSA-N 237.387 3.626 30 20 BHED N#Cc1c(Cl)cccc1N[C@H]1CC[C@H](F)C1 450534805 IDNUBGKLVKFHOG-IUCAKERBSA-N 238.693 3.514 30 20 BHED C=CCC[C@H](CCC)NCc1ccc(C)c(C)n1 459666709 LWPSPZHVWDTLPW-HNNXBMFYSA-N 246.398 3.923 30 20 BHED C=CCCCC(=O)N[C@H](c1cccs1)C1CC1 480558510 URUNUSUZJIAJAP-AWEZNQCLSA-N 249.379 3.672 30 20 BHED C=C[C@H]1CCCCN1C(=O)CCCC(C)(C)C 488878436 KAECRCOXIOHWDB-ZDUSSCGKSA-N 237.387 3.770 30 20 BHED C=C(C)CCN1CCc2sccc2[C@@H]1C 509804395 JCSLJJIGIAGPDV-NSHDSACASA-N 221.369 3.633 30 20 BHED C=C(C)CN(C1CCC(C)CC1)C1CC1 515502556 ANSXQDMQGVBQRZ-UHFFFAOYSA-N 207.361 3.606 30 20 BHED C=CCN(C)Cc1c(Cl)cccc1Cl 521859646 MESOLCKBUVHXCB-UHFFFAOYSA-N 230.138 3.611 30 20 BHED C=C(C)CCSc1ccc(C(=O)OC)cc1 551921207 FDHYBNVVSOOOPT-UHFFFAOYSA-N 236.336 3.532 30 20 BHED CC(C)c1ccc([C@@H](C)N2CC(C)(C#N)C2)cc1 574475251 HYGFKICHNMXMSW-CYBMUJFWSA-N 242.366 3.716 30 20 BHED CC[C@H](C)n1cc(-c2ccc(C)c(C#N)c2)cn1 600795041 WFAGGRAIKDFVSO-LBPRGKRZSA-N 239.322 3.701 30 20 BHED C[C@@H](S[C@@H](C#N)C1CC1)c1ccc(F)cc1 601077272 ZBTYYMWYRRXQHF-RNCFNFMXSA-N 235.327 3.922 30 20 BHED C[C@@H]1CCc2ccccc2[C@H]1NCCCCC#N 611392159 NALANHJEYJKCLI-CJNGLKHVSA-N 242.366 3.593 30 20 BHED CCC(C=NNc1ccc(Cl)nc1)CC 743450489 SBHCWBOZRZDSEZ-UHFFFAOYSA-N 225.723 3.569 30 20 BHED O=C(/C=C\c1ccc(Cl)nc1)C1CCCCC1 748998503 MAFKFXAXQTWUCT-VURMDHGXSA-N 249.741 3.898 30 20 BHED C#CCCCCN[C@@H](c1ccc(C)o1)C1CCC1 756758033 QDDVUHISMYNJLN-MRXNPFEDSA-N 245.366 3.822 30 20 BHED CCc1ccc(C=NNc2cccc(C)c2)o1 760214871 ALCRHMMUIFFNEL-UHFFFAOYSA-N 228.295 3.596 30 20 BHED CCCCCC[C@@H]1CCCC1=NNC[C@@H](C)C#N 771107309 LQJZAWLLOGTCQM-UONOGXRCSA-N 249.402 3.862 30 20 BHED C#CCCCCN[C@@H]1c2ccccc2CC[C@H]1C 775416882 ZJFVCIIFUNXCIZ-PBHICJAKSA-N 241.378 3.703 30 20 BHED CC(C)[C@H]1CCCCC1=NNc1ccnc(F)c1 781132938 RYGVQDXMCRKOHX-GFCCVEGCSA-N 249.333 3.835 30 20 BHED C=CCN(Cc1ccccc1SC)C(C)C 781326918 SYWACRONPJFQSX-UHFFFAOYSA-N 235.396 3.805 30 20 BHED C#CCCCOc1ccc(C(F)(F)F)cc1F 810020010 GBUDEJFENJUMSO-UHFFFAOYSA-N 246.203 3.637 30 20 BHED CCCC[C@@H](CCC)OC(=O)CCCC#N 812617145 FPJOXEZCEPUKEF-GFCCVEGCSA-N 225.332 3.582 30 20 BHED C=C(C)C(C)(C)C(=O)OCCCCCSC 820621548 FTXKOLOZTLUWPD-UHFFFAOYSA-N 244.400 3.665 30 20 BHED CC(C)(C)ON=C1CCC(C(F)(F)F)CC1 1254955539 JMKLUISOEUIFLY-UHFFFAOYSA-N 237.265 3.910 30 20 BHED C=C(C)CCC(=O)N[C@H](c1ccccc1)C1CC1 1338625019 OJBNJCBDIJGXLV-MRXNPFEDSA-N 243.350 3.610 30 20 BHED Cc1ccc(NCc2ccc(F)c(C#N)c2)cc1 83368219 TYACMWFJKRLNDF-UHFFFAOYSA-N 240.281 3.618 30 20 BHED Cc1cscc1CNc1ccc(C#N)cc1F 94878082 JETSXCWQDUMICW-UHFFFAOYSA-N 246.310 3.679 30 20 BHED CCN(Cc1cc(C#N)cs1)C1CCCCC1 156955268 FRSMQNXQHMGJMY-UHFFFAOYSA-N 248.395 3.774 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccccc1OCC 163308927 SCFQQTTXNIMGHA-QWHCGFSZSA-N 233.355 3.701 30 20 BHED C=CCCCCCN(C)Cc1cncc(C)c1 189897778 NXXBWUDUBXSIJO-UHFFFAOYSA-N 232.371 3.568 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)CC1CCCCC1 190081620 QVYKXDASHWJDCW-OAHLLOKOSA-N 237.387 3.627 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCCCC 190090868 HEOBYTFCXQJPOY-JSGCOSHPSA-N 225.376 3.674 30 20 BHED CCCC[C@@H](CCC)CNCc1ccc(C#N)o1 236793612 AICPVUQWVACYRZ-CYBMUJFWSA-N 248.370 3.847 30 20 BHED CC[C@@H](OC(=O)CC(C)(C)C#N)c1ccccc1 278692463 FCRCPCSUHDWDOT-CYBMUJFWSA-N 245.322 3.621 30 20 BHED C=CCC[C@@H](Nc1ncccn1)c1ccccc1 301774910 KSRONXWCPAVXNM-CQSZACIVSA-N 239.322 3.596 30 20 BHED C=CCCC[C@@H](C)N[C@H]1CC=C(C)CC1 308822662 CMVLYOXFJJZQLR-KGLIPLIRSA-N 207.361 3.820 30 20 BHED C=CCCCN[C@H](CC(F)(F)F)C(C)C 309068451 BJTVQJKJQKIJQX-SNVBAGLBSA-N 223.282 3.519 30 20 BHED Cc1cnccc1Sc1cccc(F)c1C#N 338846960 MWINRKBNXSRRLE-UHFFFAOYSA-N 244.294 3.552 30 20 BHED C#Cc1cccc(NC[C@H]2CCCCC2(F)F)c1 381678024 LWDBAPRIDYGWLB-CYBMUJFWSA-N 249.304 3.905 30 20 BHED CCC1(NCc2ccc(C#N)c(F)c2)CCCC1 404064960 JMMLBCVBYOLDRN-UHFFFAOYSA-N 246.329 3.510 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H](C)CCC(C)(C)C 410128222 QWAZNQRYUSONHX-STQMWFEESA-N 239.403 3.920 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@H](CC)C1CCCC1 411060494 HIOHCTHQVNVHPE-HIFRSBDPSA-N 237.387 3.674 30 20 BHED N#CCCSCCCc1ccccc1Cl 413010091 FTRBSPXZODICGG-UHFFFAOYSA-N 239.771 3.919 30 20 BHED C=CCC(C)(C)c1nc(-c2sccc2C)no1 426549677 SWHHMNXMPPCRSE-UHFFFAOYSA-N 248.351 3.960 30 20 BHED COc1ccc(C#N)cc1CSCC1CCC1 434926067 NOKBSBNGBZZMQO-UHFFFAOYSA-N 247.363 3.600 30 20 BHED C=C(C)CCN[C@@H]1CCC[C@H](c2cccnc2)C1 449475167 KRRXJWIDFVZYCT-GOEBONIOSA-N 244.382 3.664 30 20 BHED C=CCC[C@H](CCC)Nc1cccc(CCO)c1 449752497 GAPOWVJCWYEBHN-HNNXBMFYSA-N 247.382 3.768 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@]1(C)CCC[C@@H]1C 452426729 ZALQOHXBSUGHJD-WFASDCNBSA-N 237.387 3.531 30 20 BHED C=C(C)CN(CC)Cc1cc2ccccc2o1 505858753 JSLLTHPIKBEDAW-UHFFFAOYSA-N 229.323 3.831 30 20 BHED C=C(C)CCc1noc(/C=C\c2ccccc2)n1 508658332 AVQKLQRLSHTROV-LUAWRHEFSA-N 240.306 3.749 30 20 BHED C=CCCCCCN1CCC(OC(C)C)CC1 558978396 SMFSYQMXQFLVBZ-UHFFFAOYSA-N 239.403 3.622 30 20 BHED C=CCCCCCSCc1cc(C)no1 567530746 IKRYHXQAHLAEQW-UHFFFAOYSA-N 225.357 3.963 30 20 BHED C=CCCCCSCc1nccs1 571866330 BOTRUBCLPAXDLI-UHFFFAOYSA-N 213.371 3.733 30 20 BHED CCN(CCCC1CCCCC1)C[C@H](C)C#N 580128226 XRHJJOQGYPOMFV-CQSZACIVSA-N 236.403 3.828 30 20 BHED N#Cc1c(NC[C@H]2CC23CC3)cccc1C(F)F 583703838 LRKMOXYTABDCLX-SECBINFHSA-N 248.276 3.708 30 20 BHED C=C1CCN([C@H](CC)c2ccccc2)CC1 594754337 PRLYLSQZHDXLOD-OAHLLOKOSA-N 215.340 3.790 30 20 BHED C[C@H](C#N)CNC1CCC(C2CCCCC2)CC1 618606698 WHOBMBDBXVNOLY-IUDNXUCKSA-N 248.414 3.875 30 20 BHED C=C[C@H]1CCCCN1Cc1cscc1Cl 683844418 VDNRUIBYOWXQQB-NSHDSACASA-N 241.787 3.942 30 20 BHED CC(C)(C#N)CCN1CC[C@H](C2CCCCC2)C1 708832948 URXJJJAXUFZECX-HNNXBMFYSA-N 248.414 3.828 30 20 BHED CCCCC(C)=NN=c1cc[nH]c2ccccc12 730146763 FUZRLOYOJVRFHE-UHFFFAOYSA-N 241.338 3.635 30 20 BHED C=C(C)CCOC(=O)C12CC3CC(CC(C3)C1)C2 744304421 VOXUDJLDIUXEQQ-UHFFFAOYSA-N 248.366 3.712 30 20 BHED CC(C)C1CCC(=NOCc2cccnc2)CC1 746587395 OLMFJTASLNVSFP-UHFFFAOYSA-N 246.354 3.800 30 20 BHED C#Cc1cccc(NC(=O)C(C)(C)CC(C)C)c1 753194701 MFHJIWGDWVDRMV-UHFFFAOYSA-N 243.350 3.679 30 20 BHED C#CCCCCCc1nc([C@@H](C)CCC)no1 761854394 OWYMELSTMOPRHM-LBPRGKRZSA-N 234.343 3.709 30 20 BHED C#CCCc1noc(CCCCCCCC)n1 762017408 CSCFMMCYKUBWPX-UHFFFAOYSA-N 234.343 3.538 30 20 BHED CC1(C)CCC(=NOCCC(F)(F)F)CC1 777462679 HLMYXXJNDWYNQI-UHFFFAOYSA-N 237.265 3.912 30 20 BHED C#CCCCCCC(=O)Nc1cscc1C 779943540 MEKOVNFDHNMYBL-UHFFFAOYSA-N 235.352 3.579 30 20 BHED C=C(C)CNC(=O)[C@](C)(CC)CCCCC 781037875 KCDCUKXRYZBSRJ-CQSZACIVSA-N 225.376 3.675 30 20 BHED C=CC[C@H](CC)NC(=O)C1CCCCCCC1 798552841 BWJDPKHQEVMNOH-AWEZNQCLSA-N 237.387 3.818 30 20 BHED C[C@H]1CC[C@H](C=NNc2ccc(F)cc2F)C1 800804312 WKTKHAGIGZWVNC-UWVGGRQHSA-N 238.281 3.799 30 20 BHED CC(CCc1ccccc1)=NOCCC1CC1 814245425 RQAXTFXNZLXYFY-UHFFFAOYSA-N 231.339 3.812 30 20 BHED Cc1cccc(NN=Cc2ccsc2C)c1 814687816 VHLLSWDLAIJAIJ-UHFFFAOYSA-N 230.336 3.811 30 20 BHED CC(CCCc1cccnc1)=NOC1CCCC1 834969551 VVJCKMZOIMBTOV-UHFFFAOYSA-N 246.354 3.739 30 20 BHED CC(=NOCc1ccccc1)c1ccccc1C 839420198 XOOHXXSVMLDFHA-UHFFFAOYSA-N 239.318 3.936 30 20 BHED CC1=C(C)C[C@H](C(=O)OCC(C)(C)CC#N)CC1 842757968 DMZPHDMGDCTCBR-CYBMUJFWSA-N 249.354 3.606 30 20 BHED C=CC[C@@H]1CCCCC1=NNc1ccnc(F)c1 853332752 YSYJJXTYHIFLSE-LLVKDONJSA-N 247.317 3.755 30 20 BHED CCC(C#N)(CC)C(=O)O[C@H](C)c1ccccc1 860198540 XTVJHEFNHBDDEE-GFCCVEGCSA-N 245.322 3.621 30 20 BHED C=C(C)CCNc1ccccc1NC(C)C 871845713 ISCCHGZKVBZXEC-UHFFFAOYSA-N 218.344 3.885 30 20 BHED C[C@@H](CCC#N)CNC1CCCCCCC1 876886483 WJICFTOBPBVVQH-ZDUSSCGKSA-N 222.376 3.629 30 20 BHED C=C(Cl)CN(C)CCCCc1ccccc1 917063435 CXRIRYDFZOLUSM-UHFFFAOYSA-N 237.774 3.694 30 20 BHED C=CCCCC(=O)NC1(C2CCCCC2)CC1 1336629460 ZKCLMLWIYAZZQK-UHFFFAOYSA-N 235.371 3.572 30 20 BHED C=CCCN(CCc1ccccc1)C(C)C 1339378656 QOLMXQXQANFLAT-UHFFFAOYSA-N 217.356 3.516 30 20 BHED CCC[C@@H](C)Sc1cccc(F)c1C#N 1459108075 KVAWEDKNSOMWAC-SECBINFHSA-N 223.316 3.978 30 20 BHED C[C@H]1CCC[C@H](Nc2ccc(C#N)cc2F)C1 37412616 UCDCTHJBWLYKHA-JQWIXIFHSA-N 232.302 3.688 30 20 BHED C#CCCCCNC[C@@H]1CCC[C@H](CC)C1 134858993 VAXGHAXYRPNFER-LSDHHAIUSA-N 221.388 3.596 30 20 BHED C=CCN(C(=O)c1ccc(F)c(C)c1)C(C)(C)C 165233123 IPWUBXQGPKMNTD-UHFFFAOYSA-N 249.329 3.561 30 20 BHED Cc1c(C(C)C)c(CC#N)nc2ccccc12 171109083 ODWZFARAJKFKTQ-UHFFFAOYSA-N 224.307 3.733 30 20 BHED C=CCCCN[C@H]1CCCC[C@@H]1SCC 190023665 HHTYYZQMUMJPLX-STQMWFEESA-N 227.417 3.607 30 20 BHED C=CCCCCN[C@H](C)c1ccc(C#N)cc1 274541487 UJVNEGUWMWLHEZ-CYBMUJFWSA-N 228.339 3.565 30 20 BHED Cc1cc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c(C)s1 274655068 UFGCPSZLDUIPKK-CYZMBNFOSA-N 248.395 3.708 30 20 BHED CCC(=O)c1cccc(NCCC(C)(C)C#N)c1 288747914 QHOCJHMMMQMGEW-UHFFFAOYSA-N 244.338 3.631 30 20 BHED C#CCCCCN[C@H](C)c1csc(C)c1 294208624 MILXJFUCIHOLCC-GFCCVEGCSA-N 221.369 3.511 30 20 BHED C=C(CC)CNC(C)(C)c1ccccc1F 309741136 DHVGOMISYTWESN-UHFFFAOYSA-N 221.319 3.617 30 20 BHED CC(C)Oc1ccc(C#N)cc1NCC1CCC1 338090557 UTUQZADSGKIOPH-UHFFFAOYSA-N 244.338 3.557 30 20 BHED C=C(C)CNc1ccc(Cl)c(OC(F)F)c1 381226843 KBGCBGMVESTAKZ-UHFFFAOYSA-N 247.672 3.929 30 20 BHED C=CCC[C@H](N[C@H]1CCC(F)(F)C1)C1CC1 390780371 JFVANMODPAEENC-RYUDHWBXSA-N 229.314 3.509 30 20 BHED C=CC[C@H](CC)N[C@H](C)CCc1ccc(O)cc1 393765913 BRIZQSPPTOFCEA-HIFRSBDPSA-N 247.382 3.658 30 20 BHED C=C(C)CN(C)C[C@@H](OC(C)C)c1ccccc1 428318990 NLEZBURSGGSFPY-MRXNPFEDSA-N 247.382 3.661 30 20 BHED C=CCCCC[C@H](C)NCCc1cccc(C)n1 449294312 LFSIAIINDBHTOO-AWEZNQCLSA-N 246.398 3.657 30 20 BHED C=C(C)CCNC(=O)[C@H](C)CCC(C)(C)C 452716434 HVVIMIONFSVFAX-GFCCVEGCSA-N 225.376 3.531 30 20 BHED CC#CCCN(C)[C@H](C)c1ccc(C)cc1C 462316606 MALHVMWBFHVNNE-OAHLLOKOSA-N 229.367 3.710 30 20 BHED C=CCC[C@H](CC)NCC1(OC)CCCCC1 480666020 PDCZGQUNGXEBBN-AWEZNQCLSA-N 239.403 3.670 30 20 BHED C=CCN(Cc1cccs1)C[C@@H](C)CC 480756660 BFDGGKUHDSDAHF-LBPRGKRZSA-N 223.385 3.782 30 20 BHED C=C[C@H]1CCCCN1C[C@@H]1CCC2(CCCC2)O1 554840959 KOYUSBGTUCBACT-GJZGRUSLSA-N 249.398 3.519 30 20 BHED C=CC[C@@H](CC)NC(=O)C(C1CCC1)C1CCC1 557052685 JWZFTLGFXFHDHJ-CQSZACIVSA-N 249.398 3.674 30 20 BHED C=CCCCCN1CCC=C(c2ccccn2)C1 568176902 HZJPRYVLOOQQDE-UHFFFAOYSA-N 242.366 3.527 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cc(C)c(OC)cc1C 753671314 WUVWKEIWZZGDCU-OLZOCXBDSA-N 233.355 3.537 30 20 BHED C=CCON=Cc1ccc(Cl)cc1Cl 754778705 KCNDNZGLWDOQHV-UHFFFAOYSA-N 230.094 3.530 30 20 BHED CC[C@H]1CCCC1=NNc1cc(F)cc(F)c1 758371883 GVFSXKKDEQWFRN-VIFPVBQESA-N 238.281 3.943 30 20 BHED C#CCCCN1CCC[C@@H]1c1ccc(C)cc1 766895759 HHSAEGYFRMPNHA-MRXNPFEDSA-N 227.351 3.545 30 20 BHED C#CCCCN(C)c1ccc2ccccc2c1 766895859 TZFKIJJBBGZATJ-UHFFFAOYSA-N 223.319 3.689 30 20 BHED N#Cc1cccc(NC[C@@H]2CCc3ccccc32)c1 779734962 CZTSFNBMNWJYSM-HNNXBMFYSA-N 248.329 3.700 30 20 BHED CC[C@H](C)CON=C1CCC[C@H]1CCF 793164767 YIKNEBNRCSICMC-QWRGUYRKSA-N 215.312 3.565 30 20 BHED C/C(=C\Cl)CSCc1ccccc1C#N 797809457 HBBGEGMPPJCCBX-UXBLZVDNSA-N 237.755 3.934 30 20 BHED C#CCCCN1CC[C@H](C(C)(C)C)C[C@H]1C 805839193 OGQKHYLOLHQVNB-KGLIPLIRSA-N 221.388 3.546 30 20 BHED Clc1cccc(C=NOC2CCC2)c1Cl 812237673 BIODVSIDJMXNLZ-UHFFFAOYSA-N 244.121 3.896 30 20 BHED c1ccc(NN=C2CC[C@@H]2C2CCC2)cc1 814684095 DBTOEVQOGPPGAS-CYBMUJFWSA-N 214.312 3.665 30 20 BHED Fc1ccc(NN=C2CC[C@@H]2C2CC2)c(F)c1 814686477 IMWARCHPPYHDOZ-SNVBAGLBSA-N 236.265 3.553 30 20 BHED CC1CC(=NNc2ccccc2C(F)(F)F)C1 814688724 KCULVCDEHLFYQD-UHFFFAOYSA-N 242.244 3.903 30 20 BHED CC(C)c1cnc(SCC2(C#N)CCCC2)[nH]1 918181355 RWKDCKQYIJLMMI-UHFFFAOYSA-N 249.383 3.709 30 20 BHED CCCCCCCOC(=O)CCc1ccco1 918493499 ZHDPNYDJCPJXBE-UHFFFAOYSA-N 238.327 3.726 30 20 BHED C=CCC1(c2nnc(CC3CCCC3)o2)CCC1 1118077536 RWJFQUXWKROKFY-UHFFFAOYSA-N 246.354 3.800 30 20 BHED CCC[C@@H](C)C(CC)=NNc1ccc(C#N)cn1 1349840518 QOXCYBLMHQKHAW-LLVKDONJSA-N 244.342 3.567 30 20 BHED C=C(C)CCC(=O)Nc1c(C)cc(C)cc1C 1357812298 PMNTWZMAMFKZOR-UHFFFAOYSA-N 231.339 3.907 30 20 BHED C=C(CC)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 1521574072 ACHXOLILZVQYKI-IUODEOHRSA-N 243.350 3.562 30 20 BHED C=C(Cl)CN(CC1CC1)c1ccccc1 1616004007 YCKFUIVKIZFKJG-UHFFFAOYSA-N 221.731 3.656 30 20 BHED Cc1cc(C#N)cc(N[C@H]2CC[C@@H]2C2CCC2)c1 1664992700 XXELNNTXXBFTSE-CVEARBPZSA-N 240.350 3.857 30 20 BHED C=CCn1c(SC(C)C)nc2ccccc21 47819905 QSRIVWCVGYWBDA-UHFFFAOYSA-N 232.352 3.723 30 20 BHED Cc1ccc(CNc2ccc(F)c(C#N)c2)cc1 51635079 GEXOCIRUVLEOHB-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CCCSc1ccc(C#N)cc1Cl 62794159 CPYLOCITPQBEDE-UHFFFAOYSA-N 211.717 3.714 30 20 BHED Cc1ccc(CNc2ccc(F)cc2C#N)cc1 71550093 KMZUYPRWISBDKQ-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=C(C)CN1CCCCC[C@@H]1c1ccco1 76804360 ZWQCLUSCUGIZSN-CYBMUJFWSA-N 219.328 3.773 30 20 BHED CC[C@@H](Nc1cccc(C#N)n1)C1CCCCC1 80119025 RFLILEZFPLDVSH-CQSZACIVSA-N 243.354 3.724 30 20 BHED N#Cc1cc(F)ccc1SCc1ccccc1 97053938 ZYHBQVDOHOMTRC-UHFFFAOYSA-N 243.306 3.990 30 20 BHED C=CC1CCN(C(=O)CCC2CCCCC2)CC1 110369846 IYPQLFBOENIURC-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CC[C@H](C)NC(=O)Nc1cccc(C(C)C)c1 116998329 PIJAILKUCCHPJN-LBPRGKRZSA-N 246.354 3.896 30 20 BHED C[C@@H](c1ccc(C#N)cc1)N1CCCC(C)(C)C1 118399726 ZEGNPAMILOSERF-ZDUSSCGKSA-N 242.366 3.741 30 20 BHED C=CCCN[C@@H](C)c1ccc(OC(F)F)cc1 163909985 NYQWOYOXNZSWGO-JTQLQIEISA-N 241.281 3.515 30 20 BHED C=C[C@@](C)(CC)C(=O)NCCCC(C)(C)C 188441427 XUZJVMSRASRDCR-AWEZNQCLSA-N 225.376 3.531 30 20 BHED C[C@@H](S)c1cc(Br)cs1 229861429 FQOHDQIJZIBQOQ-SCSAIBSYSA-N 223.160 3.501 30 20 BHED C[C@H](CCC#N)Sc1cc(F)ccc1F 276363516 PWLGVNJDOLOSBE-MRVPVSSYSA-N 227.279 3.749 30 20 BHED C=CCCNc1ccc(OC(C)C)cc1F 303909407 UEXIRVSBQFQGGD-UHFFFAOYSA-N 223.291 3.601 30 20 BHED CC[C@@]1(c2ccc(Cl)c(Cl)c2)O[C@H]1C#N 306585876 KKQXJAIRAGRKJY-QWRGUYRKSA-N 242.105 3.521 30 20 BHED C=C(C)CCNc1ccc(C)c(OC)c1C 309883827 XDMDWWGKZFQNJC-UHFFFAOYSA-N 219.328 3.690 30 20 BHED Cc1ccc(C)c(Oc2ccc(C#N)c(C)n2)c1 311193961 GZLOOAUDWNTXEV-UHFFFAOYSA-N 238.290 3.671 30 20 BHED C=CCCCCN[C@H]1CCCc2ccc(O)cc21 311199331 JRTJBHIQATUQJR-INIZCTEOSA-N 245.366 3.716 30 20 BHED C=CCNC(C)(C)c1ccc(C(C)C)cc1 381161276 RJKZAPVCVOLZNX-UHFFFAOYSA-N 217.356 3.821 30 20 BHED C=CC[C@H](C)[C@H](C)NCCCC(F)(F)F 389871019 JMEQZJOUZZUVLL-UWVGGRQHSA-N 223.282 3.519 30 20 BHED C=CCCC[C@@H](C)N[C@H]1CCc2cccc(O)c21 398193834 SKMHOYNYXMPTFN-OCCSQVGLSA-N 245.366 3.714 30 20 BHED Cc1cccc([C@@H](C)NCC(C)(C)CC#N)c1C 414176004 ZYTJVAGVAWOQBO-CQSZACIVSA-N 244.382 3.894 30 20 BHED CC[C@@H](C)CN[C@H](CC)c1ccc(C#N)cc1 421892183 WJWHBAKUBQEDTR-IUODEOHRSA-N 230.355 3.645 30 20 BHED C=CCCCc1nc(-c2occc2C(C)C)no1 426212545 HTIGWTYAXWXEKO-UHFFFAOYSA-N 246.310 3.962 30 20 BHED C=CCC1(C(=O)N(CC)CC2CCC2)CCCC1 451367348 IBXCRKJNEHHGAC-UHFFFAOYSA-N 249.398 3.772 30 20 BHED N#Cc1cc(F)ccc1CSCCCCF 507116090 NUVGWQZEXKFPCZ-UHFFFAOYSA-N 241.306 3.680 30 20 BHED C=CCCN1CCC[C@H]1CCc1ccccc1 524812203 ZESPUELZXYFSKW-INIZCTEOSA-N 229.367 3.660 30 20 BHED C=CCN(Cc1ccc(OC(C)C)cc1)C1CC1 541760544 LTCPKAHDJXFYEX-UHFFFAOYSA-N 245.366 3.624 30 20 BHED C=CCCCCSC[C@H](CC)OC 567363812 DLKDNKLRQYXMOA-NSHDSACASA-N 202.363 3.501 30 20 BHED N#CC1(CN2CCC[C@@H](C3CCCCC3)C2)CC1 595880831 PEFYOWQNWUGSJH-OAHLLOKOSA-N 246.398 3.582 30 20 BHED CC(C)(C)CCSCC1(CC#N)CC1 596354929 AIQMJFXHKRIHAZ-UHFFFAOYSA-N 211.374 3.850 30 20 BHED CCOCc1cccc(NC[C@@H](C)CCC#N)c1 602491000 MJODPAVUJZMJDO-ZDUSSCGKSA-N 246.354 3.575 30 20 BHED C=C(C)CCSc1ncc(C(C)C)[nH]1 629227477 ULLIJYAOOYXARS-UHFFFAOYSA-N 210.346 3.591 30 20 BHED C=CCCCCNc1cc(CO)c(C)cc1C 651227414 IHMFCWJDYKGMNI-UHFFFAOYSA-N 233.355 3.564 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CS[C@@H](C)C1 658033668 HRBMTGHLLXTRIL-DGAVXFQQSA-N 239.428 3.605 30 20 BHED CCC(CC)=NNc1ccc(OC(F)F)cc1 726426629 BQFFCOVSFDDNOO-UHFFFAOYSA-N 242.269 3.876 30 20 BHED C[C@@H]1C[C@H]1c1ccc(C=NNc2ccccc2)o1 732763438 YJMZHMWKQXSCFR-BXUZGUMPSA-N 240.306 3.849 30 20 BHED CC1(C)CCC[C@@H](C=NNc2ccccn2)C1 752722325 KQJKLDWBGFDQJA-GFCCVEGCSA-N 231.343 3.696 30 20 BHED CCCCCCC(C)=NO[C@@H]1CCCCO1 755817568 MKULTGDGRRSHQE-CYBMUJFWSA-N 227.348 3.876 30 20 BHED Cc1cccc(NN=Cc2ccc(C#N)c(C)c2)c1 766432651 YCPJHINVNGXQIA-UHFFFAOYSA-N 249.317 3.621 30 20 BHED C#CCCCCCC(=O)NCCCC1CCCC1 779791960 GYCUDRHLUBKVLJ-UHFFFAOYSA-N 249.398 3.657 30 20 BHED C=CCCC(=NNCCC(C)(C)C)C1CC1 782902655 GQZLNAOOVDFDCP-UHFFFAOYSA-N 222.376 3.744 30 20 BHED CCCCCCCN[C@@]1(C)CCO[C@@H]1C1CC1 784588805 PRVKXKXWOMOZHK-CABCVRRESA-N 239.403 3.504 30 20 BHED CC(C)[C@H]1CCCC(=NNc2ccnc(F)c2)C1 794530331 KYJGXNKJOMGSNV-NSHDSACASA-N 249.333 3.835 30 20 BHED CCCCCCCN1CCCC[C@H]1c1cc[nH]n1 796196955 XWSQTGULZRIHHK-HNNXBMFYSA-N 249.402 3.907 30 20 BHED C=C(C)CCOC(=O)c1sccc1Cl 797079639 QLRVEKFTDBCTGJ-UHFFFAOYSA-N 230.716 3.525 30 20 BHED C=CCCCCCCCNC(=O)[C@H]1CC=CCC1 810767841 YQHSLUCRTKTDNK-HNNXBMFYSA-N 249.398 3.986 30 20 BHED C1CCC(ON=C2CC[C@@H]2C2CCC2)CC1 814908646 AIGHVGOPAQRMJQ-CYBMUJFWSA-N 221.344 3.902 30 20 BHED N#CCCSCCSCc1ccccc1 840210955 CICYSXYAWQZXHU-UHFFFAOYSA-N 237.393 3.567 30 20 BHED CCCCCCCCCN(C)C(=O)C1CC1 918396561 RWQHPYSRTCFEMZ-UHFFFAOYSA-N 225.376 3.605 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)c1ccsc1C 1121245587 NLAYETJSTFWLFB-GFCCVEGCSA-N 249.379 3.627 30 20 BHED C=C(Cl)CSc1nc2ncccc2s1 1189912390 KGOMMGWAUCRKAP-UHFFFAOYSA-N 242.756 3.536 30 20 BHED C[C@H](NCC(C)(C)CC#N)[C@H]1CC2CCC1CC2 1206224672 UKJOZSBXASJEDC-VXGQWTEUSA-N 248.414 3.731 30 20 BHED C=CCC(CC=C)c1nnc(-c2ccc(C)o2)o1 1322628131 VSMSQENQPRDCIB-UHFFFAOYSA-N 244.294 3.874 30 20 BHED C=C(CC(C)C)C(=O)Nc1cccc2[nH]ccc12 1347567954 KZVFSPLFFOZUSA-UHFFFAOYSA-N 242.322 3.709 30 20 BHED CCCN(CCC(C)(C)C#N)c1ccccc1F 1647756855 FJFCWQPODXTOSD-UHFFFAOYSA-N 248.345 3.982 30 20 BHED C#CCCCCN[C@@H](C)CCc1cccc(F)c1 90398424 MOAMTXOZTKOWBF-AWEZNQCLSA-N 247.357 3.540 30 20 BHED C=CC[C@H](C)NCc1ccc2nc(C)ccc2c1 97861968 YCKYTNRMEDWRRI-LBPRGKRZSA-N 240.350 3.597 30 20 BHED C[C@@H](NCC(C)(C)C#N)c1cc2ccccc2o1 122233153 JNNPZKXFUZUIQD-LLVKDONJSA-N 242.322 3.633 30 20 BHED C=CCCN[C@H](C)c1cnc2ccsc2c1 168522210 LBVGHXJPCFAGLQ-SNVBAGLBSA-N 232.352 3.523 30 20 BHED C=C(C)CN(C)Cc1cc(C)nc2ccccc12 181266559 YLUUVQRVTJFETK-UHFFFAOYSA-N 240.350 3.551 30 20 BHED Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1C 185723046 NWKBWUHUHZCPQJ-KGLIPLIRSA-N 228.339 3.798 30 20 BHED CC(C)[C@@H](C)SCc1ccccc1C#N 231193659 BVQHPEJOETUJDO-LLVKDONJSA-N 219.353 3.836 30 20 BHED CC(C)(C#N)CCCCSc1nccs1 232525340 BDYYMTAVILQAOI-UHFFFAOYSA-N 240.397 3.955 30 20 BHED CC(C)C1(N[C@@H](C)c2ccc(C#N)c(F)c2)CC1 293597695 DDOXFCMGWDHFAY-NSHDSACASA-N 246.329 3.537 30 20 BHED C#CCCCCN[C@@H](CC)c1ccsc1 294492081 YMPSOURVJZCLDX-ZDUSSCGKSA-N 221.369 3.592 30 20 BHED C=CC[C@H](C)[C@H](C)NCc1cscc1C 309010921 RWAUBOLETMPXRC-JQWIXIFHSA-N 223.385 3.747 30 20 BHED C=CC[C@H](CC)NCc1ccc(C)c(F)c1 309409046 BKLHJIOCPQMFIY-ZDUSSCGKSA-N 221.319 3.578 30 20 BHED C[C@H](CCC#N)N(C)CCCCc1ccccc1 351648821 UTRPHKPYIFRETJ-OAHLLOKOSA-N 244.382 3.633 30 20 BHED C=CCOCCCSCc1cccc(F)c1 359112160 ZTJQZNADDGKCPE-UHFFFAOYSA-N 240.343 3.652 30 20 BHED C[C@@H]1CC[C@H]1Nc1cccc(OCCCC#N)c1 380784665 YCPUZYINNDKILE-IUODEOHRSA-N 244.338 3.580 30 20 BHED C=CCCCCN[C@H](C)c1ccnc(Cl)c1 381329795 SRXRVMVUIQTRBO-LLVKDONJSA-N 238.762 3.742 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)CCc1ccc(O)cc1 393765912 BRIZQSPPTOFCEA-DZGCQCFKSA-N 247.382 3.658 30 20 BHED CCC(CC)CN(CCC#N)CC(C)(C)C 409444492 BDWVBZGXUXGIJK-UHFFFAOYSA-N 224.392 3.684 30 20 BHED Cc1ccccc1CCCSCCC#N 413011778 JTHMZOJACNGXPP-UHFFFAOYSA-N 219.353 3.575 30 20 BHED N#C[C@@H]1CC[C@H](NCCC2CCCCCC2)C1 425361658 ZTWIXXSPXJRDOW-CABCVRRESA-N 234.387 3.629 30 20 BHED C=CCCCN(C)[C@@H](C)Cc1cccc(F)c1 445299137 RBBVOANNAXKNCJ-ZDUSSCGKSA-N 235.346 3.655 30 20 BHED C=CCC1(C(=O)NCC=C(C)C)CCCCC1 451134532 REBGHERLMUNWBT-UHFFFAOYSA-N 235.371 3.595 30 20 BHED C=C(C)CCNC(=O)Nc1ccc(/C=C\C)cc1 455453346 XGMXQRHNNFZOPS-PLNGDYQASA-N 244.338 3.807 30 20 BHED C=C(C)CN(C)Cc1cccn1CCC(C)C 497150191 SHFVPZMPABIXMK-UHFFFAOYSA-N 234.387 3.542 30 20 BHED CCCC1CCC(CN(CC#N)C2CC2)CC1 540506828 VCTIXODXCUXERQ-UHFFFAOYSA-N 234.387 3.581 30 20 BHED C=C(C)CN(CC)C(=O)c1cc2occc2s1 605453421 SAQSTUFFSBZOEN-UHFFFAOYSA-N 249.335 3.533 30 20 BHED CC[C@H](c1ccccc1)N1CCC[C@](C)(C#N)C1 612164914 IWERSNDORWEMHX-HZPDHXFCSA-N 242.366 3.763 30 20 BHED Cc1occc1S[C@H](C#N)Cc1ccccc1 614086565 BLPCEJKCQLYMJW-ZDUSSCGKSA-N 243.331 3.815 30 20 BHED C=CC(C)(C)C(=O)N1CCCC(CC)(CC)C1 618666602 CIYIVKYKBDGFCE-UHFFFAOYSA-N 237.387 3.627 30 20 BHED CCC(CC)CN[C@H]1CCc2cc(C#N)ccc21 618831478 STBDTEMYVKYYJA-INIZCTEOSA-N 242.366 3.571 30 20 BHED C=CC(C)(C)C(=O)Nc1cscc1Cl 636437187 GICGMADXVURANX-UHFFFAOYSA-N 229.732 3.552 30 20 BHED C=CC[C@H](CC)NCc1ccc(F)c(F)c1F 657456194 QRRVZJJNYPQFEO-JTQLQIEISA-N 243.272 3.548 30 20 BHED C=C(C)C[C@H](C)c1nc([C@@H](CC)OCC)no1 665041908 YPLSRAUFZRTCRR-WDEREUQCSA-N 238.331 3.627 30 20 BHED CCC(CC)NN=C1CC(C)(c2ccccc2)C1 734365113 RPDQSIHACGCQTQ-UHFFFAOYSA-N 244.382 3.872 30 20 BHED C#CCCN(CC1CCC1)[C@H](C)c1ccccc1 760843169 HUOBXKJJFBNTAN-OAHLLOKOSA-N 241.378 3.873 30 20 BHED C#CCCCN[C@H](CC1CCC1)c1ccccc1 776163940 XANQGWQDGJPMST-QGZVFWFLSA-N 241.378 3.921 30 20 BHED N#C[C@@H](OC(=O)CC1CCCC1)C1CCCCC1 776360836 YJOSRRNDQVLSHJ-CQSZACIVSA-N 249.354 3.582 30 20 BHED CC/C(C)=C(/C)C(=O)Nc1cc(C#N)ccc1C 779883518 QOBRQRHJJWDAFD-BENRWUELSA-N 242.322 3.552 30 20 BHED C=CCCCCCOC(=O)c1ncccc1CC 784464418 IATWRHODZVUWMA-UHFFFAOYSA-N 247.338 3.547 30 20 BHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)CCCCC 797998234 CYWCNUYDZDMVRX-KKUMJFAQSA-N 239.403 3.526 30 20 BHED CCCCCCCN[C@@H]1CCC[C@H]1CCOC 800483306 FTVWAFBBXCALGK-LSDHHAIUSA-N 241.419 3.752 30 20 BHED C=CCCCCCCNC(=O)c1c(C)coc1C 805219772 VJBJJEUGBDYKHF-UHFFFAOYSA-N 249.354 3.763 30 20 BHED CCCCC[C@H](C)NC(=O)CCCCCC#N 806370223 RRNYFHHMTCELDA-ZDUSSCGKSA-N 238.375 3.545 30 20 BHED C=CCCCCCCCNC[C@H]1CCC=CO1 811509694 AGHPSVMXDUGKGZ-OAHLLOKOSA-N 237.387 3.795 30 20 BHED CC[C@@H](C)C(C)=NNc1ccc(F)c(F)c1F 814945859 UDNPPXIFIJMRHB-SSDOTTSWSA-N 244.260 3.938 30 20 BHED CC(C)=CCC/C(C)=C/C=NNc1ccncn1 835001336 HMOHLTWAKLQQRU-MJXLJPGESA-N 244.342 3.567 30 20 BHED C#CCCCCCC(=O)N[C@H](CCC)C1CCC1 838313471 XOCBWPYPFAXPPD-OAHLLOKOSA-N 249.398 3.655 30 20 BHED C=C(C)CSCc1cc(C)nc(Cl)c1 842174332 HFRFXCNQKRVMCR-UHFFFAOYSA-N 227.760 3.853 30 20 BHED CC(C)c1cccc(C(=O)O[C@@H](C#N)C(C)C)c1 850809667 CDRZMAOMLTYJOL-AWEZNQCLSA-N 245.322 3.515 30 20 BHED CC(CC(C)(C)C#N)=NN[C@H]1CCCCC1(C)C 853340638 DIPASCGSMVWBEW-ZDUSSCGKSA-N 249.402 3.861 30 20 BHED C=CC(C)(C)CC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 878874409 WPLZBCSFOVLUFV-RDBSUJKOSA-N 249.398 3.768 30 20 BHED C=CC(C)(C)CC(=O)Nc1cc(F)ccc1F 887608833 QYJHWTDZLPRJGI-UHFFFAOYSA-N 239.265 3.506 30 20 BHED C=CCNc1ccccc1COC(C)(C)C 902219497 VODOMHYTMNIRLR-UHFFFAOYSA-N 219.328 3.600 30 20 BHED C[C@@H](C1CC1)N(C)CCCCC1(C#N)CCC1 929203683 NLWUHFDFWRKBAL-ZDUSSCGKSA-N 234.387 3.581 30 20 BHED Cc1cc(Oc2ccc(C#N)cn2)ccc1Cl 14207205 VRZOJHMVODTQJB-UHFFFAOYSA-N 244.681 3.707 30 20 BHED Cc1ccccc1N(CCCCC#N)C(C)C 105614889 ZMLKSEHWNNXQDA-UHFFFAOYSA-N 230.355 3.904 30 20 BHED C=CCC[C@@H](C)NCCSc1ccccc1 126730595 DWRDMRDIEWTSSB-CYBMUJFWSA-N 235.396 3.723 30 20 BHED CC[C@H](NCCCCC#N)c1ccc(C)cc1 131043716 NTUYSCMRGQNLCV-HNNXBMFYSA-N 230.355 3.730 30 20 BHED C=CCC[C@@H](CCC)NCCc1ccco1 156023922 OIMOECSNXAVOMB-CYBMUJFWSA-N 221.344 3.547 30 20 BHED C[C@@H](c1ccco1)N(C)CCCC(C)(C)C#N 174835435 OJIPNCFJQDGMCQ-LBPRGKRZSA-N 234.343 3.602 30 20 BHED C[C@@H]1CCCCN([C@H](C)c2cccc(C#N)c2)C1 248966899 RYIMPDUYAWMAPC-ZIAGYGMSSA-N 242.366 3.741 30 20 BHED Cc1cc(C#N)cc(N[C@@H]2CCCC[C@@H]2C)c1 308107207 POCWONJINJALSI-SWLSCSKDSA-N 228.339 3.857 30 20 BHED C=CCCCCC[C@H](C)NC[C@H]1CCCS1 309582150 QQTYLACYFQPTAZ-UONOGXRCSA-N 241.444 3.997 30 20 BHED C=CCCC1(c2nc(CC3=CCCC3)no2)CC1 345645904 JOHJUASDPLYMAY-UHFFFAOYSA-N 244.338 3.720 30 20 BHED N#CCCN(CCC1CCCCC1)CC1CC1 357963838 RGJAEJPYKHSPIY-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=CC[C@H](CC)N[C@H]1CC(C)(C)C[C@@H]1C 379948051 RSBGVRCEVJGSPF-AVGNSLFASA-N 209.377 3.755 30 20 BHED C=C(C)CCN[C@H](C)[C@@H](C)c1ccccc1 381492054 YJAREURRJIWTPO-ZIAGYGMSSA-N 217.356 3.734 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1cccc(OC)c1 384913846 DYRWZNGVZJKLOI-LBPRGKRZSA-N 233.355 3.558 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C 425494991 YKQMYHHJGMXSRU-JHJVBQTASA-N 237.387 3.530 30 20 BHED CC(C)C[C@H]1CCC[C@H](NCC2(CC#N)CC2)C1 430021776 KGHKBCRBPVSKJJ-CABCVRRESA-N 248.414 3.875 30 20 BHED C=C(C)CSCCc1ccccc1F 435883727 ARABPHZTAGADSU-UHFFFAOYSA-N 210.317 3.678 30 20 BHED C[C@H](N[C@H]1CC[C@@H](C)C1)c1ccc(C#N)c(F)c1 437045185 JQQVLWUIUNPLON-SUNKGSAMSA-N 246.329 3.537 30 20 BHED CCc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1CC 442852329 HNCUMBSRDIGJDS-OCCSQVGLSA-N 242.366 3.916 30 20 BHED C=CCC1(C(=O)NCC(C)(C)C)CCCCC1 448781433 JGPOKGZVKABJMI-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CC[C@H]1N(CC2(C#N)CCC2)CCCC1(C)C 450874101 UHQSHEMNJQNPPR-CQSZACIVSA-N 246.398 3.747 30 20 BHED C[C@@H]1CCC(C)(C)N1CCCC(C)(C)C#N 452016449 WOYLUSITNSSDET-GFCCVEGCSA-N 222.376 3.579 30 20 BHED C=CCC(CC=C)C(=O)Nc1cccc(CC)c1 467746082 LGYBIGPERYQQLM-UHFFFAOYSA-N 243.350 3.956 30 20 BHED C=CC[C@H]1N(C(=O)[C@H]2CC2(C)C)CCCC1(C)C 470280965 SMJWXKJZJNTFMA-CHWSQXEVSA-N 249.398 3.626 30 20 BHED C=CCCCCNC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 471716629 NPXSUHJZHTYTPI-WDNDVIMCSA-N 237.387 3.531 30 20 BHED C=CC[C@@H](C)NC(=O)Nc1ccc(/C=C\C)cc1 497365165 IBNXVVWSCVMPIF-SMYYYNMVSA-N 244.338 3.806 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H]1CC2CCC1CC2 497936300 GLVKIRFFDLWJTH-PPWQZUPISA-N 249.398 3.674 30 20 BHED C=CC[C@@H](C)N[C@@H](c1ccc(OC)cc1)C(C)C 537014217 GQGWJTIUEWNLOF-CZUORRHYSA-N 247.382 3.947 30 20 BHED C=CCN(C)CCCc1c(F)cccc1Cl 579915435 UYRBRVKMYHLWCI-UHFFFAOYSA-N 241.737 3.530 30 20 BHED N#CCCCCN1CCC[C@H](C2CCCCC2)C1 595880705 NUQQPLIPMQCMJK-INIZCTEOSA-N 248.414 3.973 30 20 BHED Cc1cccc([C@H](C)CNC[C@@H](C)CCC#N)c1 602554164 GIILBYNHRBWNIQ-LSDHHAIUSA-N 244.382 3.628 30 20 BHED C=C(C)COC(=O)[C@H](C)c1cccc(Cl)c1 744040537 QJHVIZPTAHSVMH-SNVBAGLBSA-N 238.714 3.563 30 20 BHED CCC(=NNc1oc(C(C)C)nc1C#N)C(C)C 745624763 NJSNEUYZDXAMJL-UHFFFAOYSA-N 248.330 3.504 30 20 BHED C=CCC(CC=C)C(=O)OCc1ccccc1C 759010293 URCADYJRLLYSCA-UHFFFAOYSA-N 244.334 3.807 30 20 BHED CCON=C(CC)c1cccc(Cl)c1F 763408320 QFPGJTMOOQMFHC-UHFFFAOYSA-N 229.682 3.630 30 20 BHED C=C[C@@H](C)NC(=O)C=C1CCC(C(C)(C)C)CC1 765849536 XVTVYRDFKKFDDK-PUODRLBUSA-N 249.398 3.840 30 20 BHED CC#CCCCC(=O)Nc1ccc(CCC)cc1 767045233 GDSSFZBCEKQUJZ-UHFFFAOYSA-N 243.350 3.771 30 20 BHED C=C[C@H](CC(=O)OCC(=C)CC)c1ccccc1 773544112 FPFHKOVNZYVHIR-CQSZACIVSA-N 244.334 3.856 30 20 BHED CCC(CC)CNN=C1CCC[C@@H](C)C1 774474370 ZTZHMISQBRQJNY-LLVKDONJSA-N 210.365 3.578 30 20 BHED C#C[C@@H](C)N(C)C[C@H](CCC)c1ccccc1 775180529 ZCSYDSVDNLNKDF-ZBFHGGJFSA-N 229.367 3.524 30 20 BHED Cc1cc2ccccc2nc1NN=C[C@@H]1C[C@H]1C 776786473 WECZNFAUWSYZAI-MFKMUULPSA-N 239.322 3.597 30 20 BHED CC[C@@H](C)NN=Cc1c(C)cc(Cl)cc1C 790182449 CXLUUBNIGUADAZ-LLVKDONJSA-N 238.762 3.679 30 20 BHED CC(=NNC1CCCCC1)c1cc(C)c(C)o1 799885802 CRODJOIYHYCNEM-UHFFFAOYSA-N 234.343 3.543 30 20 BHED C=C[C@H](C)ON=C1CCC[C@H](C(F)(F)F)C1 844624184 GHORSAKXGVPTQH-IUCAKERBSA-N 235.249 3.686 30 20 BHED C=CCCCCC[C@H](C)NCc1ccnn1CC 853239121 AJVJZASOFUDWHE-AWEZNQCLSA-N 249.402 3.518 30 20 BHED C[C@H]1CCCCN1N=Cc1cscc1Cl 853378758 CIINVJBLUMBEFU-VIFPVBQESA-N 242.775 3.610 30 20 BHED CCCCCCCNCc1cnc(C2CC2)o1 862264621 YPTJAMIORCJJTK-UHFFFAOYSA-N 236.359 3.612 30 20 BHED C=CCCCC(=O)N1Cc2ccccc2[C@@H]1CC 890611716 DTEWNFXSEAJJKX-HNNXBMFYSA-N 243.350 3.836 30 20 BHED C=C[C@@H](COC)N[C@H](CCC)C1CCCCC1 1320592108 NEEYETBCZTVWCI-LSDHHAIUSA-N 239.403 3.526 30 20 BHED C=C(Cl)CN[C@@H](C)[C@@H]1CCC[C@@H](C)C1 1618570572 ZIACLDJHEFYDJD-ADEWGFFLSA-N 215.768 3.543 30 20 BHED C=C(Cl)CN1CC[C@@H](C(C)(C)C)C[C@@H]1C 1645971724 XDPFQJOIJVVHPP-NWDGAFQWSA-N 229.795 3.886 30 20 BHED COc1cc(OCCC2CCCC2)ccc1C#N 1651953083 DHBWDSXTQJHATD-UHFFFAOYSA-N 245.322 3.526 30 20 BHED N#CCCN[C@H]1CCCC[C@H]1C1CCCCC1 35009888 ZHAHILHATLIGPI-GJZGRUSLSA-N 234.387 3.629 30 20 BHED CC(C)CC[C@H](C)Nc1cccc(OCC#N)c1 37069587 QOECGNVMHJRJDF-ZDUSSCGKSA-N 246.354 3.826 30 20 BHED CCCC1CCC(Nc2ccc(C#N)cn2)CC1 42294601 AYWKBWCIWXQTPJ-UHFFFAOYSA-N 243.354 3.724 30 20 BHED C=CCN1CCC[C@H]1c1ccc(Cl)cc1 45007796 XTLJTQDLMDJWQD-ZDUSSCGKSA-N 221.731 3.663 30 20 BHED Cc1ccc([C@H](C)NCCCC(C)(C)C#N)cc1 87597805 ROCQFLSJMTVIQT-AWEZNQCLSA-N 244.382 3.976 30 20 BHED C[C@H](c1ccccc1F)N(C)CC1(CC#N)CC1 88259499 MXSXPEOVDQFCRC-GFCCVEGCSA-N 246.329 3.512 30 20 BHED Cc1cccc(Nc2snc(Cl)c2C#N)c1 92581285 DTXMOXMYAMSRLS-UHFFFAOYSA-N 249.726 3.720 30 20 BHED C=CCCCSc1ncnc2ccsc12 117549960 FYYRQFJNDJCYLN-UHFFFAOYSA-N 236.365 3.750 30 20 BHED CC1CCC(N(C)Cc2cc(C#N)cs2)CC1 119883796 VCWZHRSVZLDROI-UHFFFAOYSA-N 248.395 3.630 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cc(C)cc(C)c1 161640011 DLEXDGWZPGQDRC-KBPBESRZSA-N 217.356 3.919 30 20 BHED C=CCCN[C@H](C)c1ccc(OCC(C)C)cc1 164130871 MUFWXDOWOBZJMI-CQSZACIVSA-N 247.382 3.948 30 20 BHED CC[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 189233404 AHLRLUKYIQRNJL-KBPBESRZSA-N 242.366 3.741 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1cc(C)oc1C 191132571 LSVRUNZCSIDYTJ-XHDPSFHLSA-N 249.354 3.676 30 20 BHED C=CCC[C@@H](C)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 252803037 AJAHVSNCTQUCPQ-RQJABVFESA-N 209.377 3.755 30 20 BHED CC(C)c1ccc([C@H](C)N(C)C[C@@H](C)C#N)cc1 260084825 QGNBIOOPCWIUMR-KBPBESRZSA-N 244.382 3.962 30 20 BHED CN(CCC1CCCC1)Cc1cccc(C#N)c1 303961965 ZXGZXGXVSWNBPW-UHFFFAOYSA-N 242.366 3.570 30 20 BHED C=CCS[C@@H](C)[C@@H](C)SCC=C 307960208 VSJQFINBCUQGOK-AOOOYVTPSA-N 202.388 3.602 30 20 BHED C=C(Cl)CNC[C@H](CC)c1ccccc1 309231552 WUGNVVHFHJWKLN-LBPRGKRZSA-N 223.747 3.522 30 20 BHED C=CCCCCNC1CCC(C(F)F)CC1 309576214 OUOKEQCPBNSYBF-UHFFFAOYSA-N 231.330 3.756 30 20 BHED C=CC[C@H](C)N[C@@H]1CCC[C@@H](c2cccnc2)C1 337332329 ICFAPYNHAJQXGZ-SQWLQELKSA-N 244.382 3.662 30 20 BHED CC1(C)CC[C@H](NCCCC#N)c2ccccc21 360882765 GUXVDYYZINTAGR-HNNXBMFYSA-N 242.366 3.692 30 20 BHED C=CC(C)(C)C(=O)N(C)C1CCC(C)(C)CC1 410566126 XMWSEAKVHQPTRZ-UHFFFAOYSA-N 237.387 3.626 30 20 BHED C=CCN(CC1CCCCC1)C(=O)C1(C)CCC1 427713206 ZDUWUQDXHUJCDP-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C[C@@H]1CC[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1 437045181 JQQVLWUIUNPLON-GYSYKLTISA-N 246.329 3.537 30 20 BHED C=CC(C)(C)CNC(=O)[C@H](C)CC1CCCC1 452773020 HJWMGUJBQWHXTI-GFCCVEGCSA-N 237.387 3.531 30 20 BHED C=CCC1(C(=O)N[C@@H]2CCCC(C)(C)C2)CCC1 480495491 QEOAISSGTDKMEH-CYBMUJFWSA-N 249.398 3.818 30 20 BHED C=CCC(C)(C)CNC(=O)C[C@@H]1CC[C@@H](C)C1 489943597 UKIUNTZTBLKHSG-CHWSQXEVSA-N 237.387 3.531 30 20 BHED C=C(C)CCSc1cccc(OC)c1 505655429 CKKLWJOCNFGFFG-UHFFFAOYSA-N 208.326 3.754 30 20 BHED C=C(C)CCN(C)[C@@H](C)c1ccccc1F 509311908 AENBVJMVQAMMBN-LBPRGKRZSA-N 221.319 3.785 30 20 BHED C=C(C)CN(CC[C@H](C)F)Cc1ccccc1 510795078 IKEORONKTMLXHH-AWEZNQCLSA-N 235.346 3.813 30 20 BHED C=CCCSC[C@@H](CC)CC(F)F 596343808 XBELFMZDBCJOKF-VIFPVBQESA-N 208.317 3.977 30 20 BHED CC(C)N(Cc1ccccc1)C[C@H](C)CCC#N 602424950 NJVQFDFCYBREKP-OAHLLOKOSA-N 244.382 3.837 30 20 BHED CCC[C@H](Cc1ccccc1)N(CC#N)CCC 608977613 SMLSJIFCGLLPEO-MRXNPFEDSA-N 244.382 3.633 30 20 BHED CC1(Nc2nc(C(C)(C)C)ccc2C#N)CCC1 613427774 NWMHYPKIFLZBSI-UHFFFAOYSA-N 243.354 3.605 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)C2CCCC2)C1 617782443 FXOSNTVWCZPBQE-UONOGXRCSA-N 249.398 3.627 30 20 BHED C=CCC1(NC(=O)[C@H]2CC23CCCC3)CCCC1 619107722 ILVTXLWZCPZYFS-CYBMUJFWSA-N 247.382 3.572 30 20 BHED C=CCCOC(=O)CCc1ccc(C(C)C)cc1 729072353 GTKRKRMBCDSFQC-UHFFFAOYSA-N 246.350 3.862 30 20 BHED C(=NNc1cccc2ccccc12)c1ccccn1 747060449 RFYNMYQNIOCLSB-UHFFFAOYSA-N 247.301 3.681 30 20 BHED CCC[C@H](C)C(CC)=NNc1nc(C)cc(C)n1 748247331 UGICEQBKJKMCEV-JTQLQIEISA-N 248.374 3.708 30 20 BHED CC1(C)CCC[C@@H](C=NO[C@@H]2CCCCO2)C1 755821146 PMGSUAGHOHYZEG-CHWSQXEVSA-N 239.359 3.732 30 20 BHED C#CCCN(C1CC1)[C@@H](C)c1ccc(Cl)cc1 760852611 TWNBCBVRNPTJLR-LBPRGKRZSA-N 247.769 3.889 30 20 BHED CCCCCCCC(=O)NOC1CCCCC1 779322300 SHHHGHSLYWZVNV-UHFFFAOYSA-N 241.375 3.727 30 20 BHED Cc1cc(C=NN[C@@H](C)C(C)(C)C)c(C)s1 793112519 UEJVCQDKBIPLIU-NSHDSACASA-N 238.400 3.723 30 20 BHED COc1ccc(NN=C[C@H]2CC[C@@H](C)C2)cc1 800814740 WWKUUFXEMDLLPC-NEPJUHHUSA-N 232.327 3.529 30 20 BHED C=CCN(Cc1ccc(SC)s1)C(C)C 811456446 OXPYFRORVGNSPO-UHFFFAOYSA-N 241.425 3.866 30 20 BHED CC(=NOC/C=C\Cl)c1cc(C)cc(C)c1 811670995 KVUIVTHTPFFDOE-RULFRJARSA-N 237.730 3.797 30 20 BHED C[C@H]1CCCCCC1=NNc1ncccc1F 844595500 HOCNAHHJDMXHPP-JTQLQIEISA-N 235.306 3.589 30 20 BHED N#CCCCCSCc1ccsc1 901839886 OJCSQVNQYUAKSM-UHFFFAOYSA-N 211.355 3.675 30 20 BHED C=C(Cl)CN1CCC[C@@H]1c1ccccc1C 917069717 GQNXLQUJBDOCRU-CQSZACIVSA-N 235.758 3.884 30 20 BHED C=CCCCCCN(C)C(=O)/C=C(\C)CC 1324404329 LDZVDPOWMWWTGW-OUKQBFOZSA-N 223.360 3.548 30 20 BHED CC(=NOC(C)(C)C)c1csc(C)c1 1328092039 SHLPKZYQRNNBJF-UHFFFAOYSA-N 211.330 3.596 30 20 BHED Cc1cc(CSc2ccc(C#N)cc2)ccn1 1643650633 WOZGVHAQBLREOH-UHFFFAOYSA-N 240.331 3.554 30 20 BHED CCc1ccccc1CNc1ccc(C#N)cc1 52200226 INIFGFXONZZZPA-UHFFFAOYSA-N 236.318 3.733 30 20 BHED C=C(C)CN(CC)[C@H](C)c1cccc(OC)c1 54340014 MKYIWCCBVPKNON-CYBMUJFWSA-N 233.355 3.654 30 20 BHED Cc1ccc(F)cc1COc1ccc(C#N)cc1 97849372 PZNQICCWSDMCDS-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C[C@@H]1CCCC[C@@H]1Nc1ccc(Cl)c(C#N)n1 110079287 DUHUJIGLSGJFAM-KOLCDFICSA-N 249.745 3.597 30 20 BHED C[C@H](N[C@H](C)CC1CCC1)c1ccc(C#N)cc1 129596339 CMBMDIICXBZIIA-OLZOCXBDSA-N 242.366 3.788 30 20 BHED Cc1ccnc(N[C@H](C)C2CCCCC2)c1C#N 135075308 HNSNEQBEDFNPEO-GFCCVEGCSA-N 243.354 3.642 30 20 BHED CC(C)c1ccc(NCc2ccc(C#N)o2)cc1 135560377 AVOPDKQGLKHDDZ-UHFFFAOYSA-N 240.306 3.887 30 20 BHED C#CCCCCNC(=O)[C@H](C)CC1CCCCC1 156554662 UMQKMFBAZLNSKP-CQSZACIVSA-N 249.398 3.513 30 20 BHED N#Cc1cc(NC2CCC2)ccc1C(F)(F)F 162029377 GVLIRYUAATXLRE-UHFFFAOYSA-N 240.228 3.541 30 20 BHED C=C(C)CNCc1c(Cl)oc2ccccc12 167486217 DCRMTAONRRWNNX-UHFFFAOYSA-N 235.714 3.752 30 20 BHED C#CCC(C)(C)C(=O)Nc1cc(Cl)ccc1C 184896201 MOOKTCZDFHNTIX-UHFFFAOYSA-N 249.741 3.636 30 20 BHED Cc1ccc([C@@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1 185787338 MMYBJWGHQBTFLG-YCPHGPKFSA-N 242.366 3.728 30 20 BHED C=CC[C@H](C(=O)NCCC(C)C)c1ccccc1 189420335 KSOCXPKLQLQUBX-HNNXBMFYSA-N 245.366 3.509 30 20 BHED C=CCC[C@@H](NCc1ccco1)c1ccco1 276468192 PFQOFPKIMWQCII-CYBMUJFWSA-N 231.295 3.670 30 20 BHED C=C(C)CNC(C)(C)c1ccc(Cl)cc1 309077379 MBTKVQWFVBIALE-UHFFFAOYSA-N 223.747 3.741 30 20 BHED C[C@@H]1CCCC[C@H]1NC1CCC(C)(C#N)CC1 336207994 MOKHLHRHWUSWGU-FEWQNLEASA-N 234.387 3.627 30 20 BHED C[C@H](NC1CCC(C)(C#N)CC1)c1ccccc1 336226236 OYIBTVVRYUXDNL-JEYLPNPQSA-N 242.366 3.810 30 20 BHED C=C(CC)CSCc1scnc1C 336653409 MAIUSUQLQXBYMK-UHFFFAOYSA-N 213.371 3.651 30 20 BHED C=C(C)CCN[C@@H](CC)Cc1ccccc1 386722798 SMHWFFINZYFTAP-HNNXBMFYSA-N 217.356 3.564 30 20 BHED C[C@@H](N(C)Cc1ccc(C#N)c(F)c1)C(C)(C)C 404076599 QVQOIQFZUPAMBD-LLVKDONJSA-N 248.345 3.564 30 20 BHED Cc1cc(CN[C@H](C)CCC(C)C)ccc1C#N 443991407 WALOUROJVWRIOC-CQSZACIVSA-N 244.382 3.781 30 20 BHED C=CC(C)(C)C(=O)Nc1cccc(SCC)c1 449860920 MAWIOZPWGFSQND-UHFFFAOYSA-N 249.379 3.949 30 20 BHED C=CCCCNc1ccc2c(c1)CCCC2=O 453137364 VPIKUBDARAWZHU-UHFFFAOYSA-N 229.323 3.584 30 20 BHED CCC[C@H](N[C@H]1CC[C@@H](CC#N)C1)C(C)(C)C 453285602 BXGMTSALFHTZHP-IHRRRGAJSA-N 236.403 3.873 30 20 BHED C=CCC(CC=C)C(=O)N(CC)CC(C)(C)C 463005526 AWJNHYBEHCNBCG-UHFFFAOYSA-N 237.387 3.649 30 20 BHED C=C[C@@H](C)NC(=O)C1CCC(CCCC)CC1 465121157 LTHGBQOMIYHZGC-IYXRBSQSSA-N 237.387 3.674 30 20 BHED C=CCCCCNC(=O)[C@H](C)CC1CCCC1 471670350 FWAUJGKZOVXZNZ-CYBMUJFWSA-N 237.387 3.675 30 20 BHED C=CCNC(=O)C1(C2CCCCC2)CCCCC1 498065388 UCNJNDMVXJUOSW-UHFFFAOYSA-N 249.398 3.819 30 20 BHED C=CCCN(C1CC1)[C@H](C)c1ccccc1 549040468 CLMZOXZZFOJBBR-CYBMUJFWSA-N 215.340 3.788 30 20 BHED C[C@@H]1C[C@H]2CCCC[C@H]2N1CCC(C)(C)C#N 551528139 BFEBGNUKVGZHGK-MGPQQGTHSA-N 234.387 3.579 30 20 BHED CCOc1ccc(C#N)cc1N[C@@H]1CC[C@@H]1CC 564299471 MRTINKIOXHXJBB-QWHCGFSZSA-N 244.338 3.557 30 20 BHED C=CCCCCN(C)[C@H](C)c1cccc(O)c1 574999204 FFRIERPXTRSMAO-CYBMUJFWSA-N 233.355 3.741 30 20 BHED CCOc1cc(NC[C@H](C)CCC#N)ccc1C 602493587 CHBFBPOVVUHGED-GFCCVEGCSA-N 246.354 3.746 30 20 BHED C=CCN(CC=C)C(=O)C[C@@H](CC)CCCC 604937669 MQQQEERAFIPSRN-AWEZNQCLSA-N 237.387 3.794 30 20 BHED C=CCC[C@@H](NC(=O)CCCF)c1ccccc1 612708306 KZZXGNWRXZHNJY-CQSZACIVSA-N 249.329 3.560 30 20 BHED C=CCCC(=O)N[C@@](C)(CC)c1ccc(F)cc1 633795774 IHIMCLHHPWLVTE-HNNXBMFYSA-N 249.329 3.533 30 20 BHED CCCCCCCc1nc(C(C)(C)C)no1 731793687 RSNBOVUPHWQTKF-UHFFFAOYSA-N 224.348 3.880 30 20 BHED C=CCCCOC(=O)[C@H](CC)Cc1ccccc1 735534808 APFKMTZAMDUWOE-OAHLLOKOSA-N 246.350 3.765 30 20 BHED CCO[C@@H]1CC(=NNc2ccc(C)cc2)C1(C)C 736429636 YJJBMGDKRIALRM-CQSZACIVSA-N 246.354 3.598 30 20 BHED C=CCCC(=NNc1ccc(OC)cc1)C1CC1 750921431 JMFRYNKPIPDYDV-UHFFFAOYSA-N 244.338 3.839 30 20 BHED C(=NNc1ccccc1)[C@@H]1C[C@H]1c1ccccc1 755461121 ALBPAQDTXXDGTM-HOCLYGCPSA-N 236.318 3.888 30 20 BHED FC(F)(F)CON=CC1CCCCCC1 764846202 FGUPNHOFVQENIU-UHFFFAOYSA-N 223.238 3.522 30 20 BHED CCC(=NNc1cccc(F)n1)C1CCCCC1 795006373 GPWCLSFVWDLTFV-UHFFFAOYSA-N 249.333 3.979 30 20 BHED C#CCCNc1cc(-c2ccc(C)o2)ccc1C 795049102 MFUBIVSMGDBAOL-UHFFFAOYSA-N 239.318 3.999 30 20 BHED CC[C@H]1CC[C@H](C)CC1=NOCc1cccnc1 797402003 SUHGWMIBDDUIKG-JSGCOSHPSA-N 246.354 3.800 30 20 BHED C=CCCCCCCCN[C@@H]1CCO[C@@H](C)C1 810160898 XTMVGJNIKQHLBK-LSDHHAIUSA-N 239.403 3.670 30 20 BHED c1ccc(NN=C2CCC3(CCCC3)CC2)nc1 811631874 QKPNTDDUPMRLMR-UHFFFAOYSA-N 243.354 3.984 30 20 BHED CC(C)[C@@H]1CCCCC1=NOCC1CC1 814243053 CRQCTRSPWLESKY-LBPRGKRZSA-N 209.333 3.615 30 20 BHED C=CC(C)(C)COC(=O)[C@@H](C)c1ccsc1 835724084 FOVFVYOQPLWKNO-JTQLQIEISA-N 238.352 3.607 30 20 BHED C(=NOCC1CCC1)[C@@H]1C[C@H]1c1ccccc1 853439445 JNQYSSQWPIUVDG-GJZGRUSLSA-N 229.323 3.593 30 20 BHED C#CCCCCCCN[C@H](C1CC1)C(F)(F)F 877535003 JGERMRSOXRQPRU-GFCCVEGCSA-N 247.304 3.501 30 20 BHED C=CC[C@H](c1ccccc1)c1nnc(C2CC2)o1 1325789170 IGVFJFZVUGTRHB-CYBMUJFWSA-N 240.306 3.655 30 20 BHED C=CCCC(=O)N(C)c1ccc(C)c(Cl)c1 113069011 NIRUGDXCMKPVPZ-UHFFFAOYSA-N 237.730 3.577 30 20 BHED CCCCCCCCSc1nncs1 125365327 HEPAGWYSIPYQGZ-UHFFFAOYSA-N 230.402 3.991 30 20 BHED C=CCC(CC=C)C(=O)N1CC[C@@H](C)C[C@@H](C)C1 157855228 ITPWSWHDEPTTLH-ZIAGYGMSSA-N 249.398 3.649 30 20 BHED C=C[C@@H](C)N[C@H]1CCCc2c1[nH]c1ccccc21 159749369 XBVYOGRVGDMBCO-ABAIWWIYSA-N 240.350 3.709 30 20 BHED C=C(Cl)CSc1ccc(F)cc1 167594723 PFGBJMBLOLLVAD-UHFFFAOYSA-N 202.681 3.670 30 20 BHED C=CCCCCCSc1nc(C)co1 192497980 KHGPYGLZZQLMCF-UHFFFAOYSA-N 211.330 3.822 30 20 BHED CC(C)[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H](C#N)C2)C1 249053736 YBZKOKLGILDRLB-WCVJEAGWSA-N 248.414 3.873 30 20 BHED CC(F)(F)CCNc1ccc(Cl)cc1C#N 294135838 FYAYJKLRGHJYKP-UHFFFAOYSA-N 244.672 3.669 30 20 BHED CC[C@@H](C)C[C@H](C)Nc1c(C#N)cccc1C#N 302869137 AUHGGCPPIUHQPV-NEPJUHHUSA-N 241.338 3.667 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCCC(C)(C)C1 309222323 VKUHQNXGLQIBLB-QWHCGFSZSA-N 209.377 3.900 30 20 BHED C=CCC(C)(C)CNCc1ccc2[nH]ccc2c1 311178421 WAGUHQXFWUERHN-UHFFFAOYSA-N 242.366 3.860 30 20 BHED C#C[C@@H](NCc1ccsc1Cl)C(C)(C)C 380346407 UBQCLJPAMBGMFB-SNVBAGLBSA-N 241.787 3.539 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccc(F)cc1 381312143 ANDNSUQUNXIBAZ-BXUZGUMPSA-N 221.319 3.831 30 20 BHED C=CCN(C(=O)[C@@H](CCC)CC(C)C)C1CC1 410662063 KOJSHHMUIWDRDN-ZDUSSCGKSA-N 237.387 3.626 30 20 BHED C[C@H](NC1CC2(CCC2)C1)c1ccc(C#N)cc1 459379877 BECJBDISLZXEFM-LBPRGKRZSA-N 240.350 3.542 30 20 BHED CCC[C@@H](CC)Sc1ccc(C#N)cn1 480854158 NGKSHLGWMWLQSD-LLVKDONJSA-N 220.341 3.624 30 20 BHED C=CCC(C)(C)CNC(=O)C(C)(C)CC(C)C 489931656 GJSXBPSXWWEYKN-UHFFFAOYSA-N 239.403 3.777 30 20 BHED C=CCN(CC=C)Cc1ccc(F)c(Cl)c1 505906583 CBCVRROBZRWDKA-UHFFFAOYSA-N 239.721 3.653 30 20 BHED CCCC[C@@H](CC)Cn1ccc(C#N)c1 545473444 JTSYJLPDBDKERF-GFCCVEGCSA-N 204.317 3.576 30 20 BHED C=CCCN(C)[C@@H](CC)c1cccc(OC)c1 576501323 YRVGUXMPCUWENS-HNNXBMFYSA-N 233.355 3.654 30 20 BHED C=CCCCCN(CC)[C@H]1CCOC(C)(C)C1 579315961 GTVJUESPQLZCNY-AWEZNQCLSA-N 239.403 3.622 30 20 BHED C=CCN(Cc1ccncc1Cl)C(C)(C)C 661756342 KWMRMOGCUQXVPF-UHFFFAOYSA-N 238.762 3.522 30 20 BHED C(=NOCCCc1ccccc1)c1cccs1 749982869 KNRQQQVENPQPCO-UHFFFAOYSA-N 245.347 3.731 30 20 BHED Cc1ccoc1C(=O)/C=C\c1cccc(F)c1F 769784510 XRXVVJGHZFINCI-WAYWQWQTSA-N 248.228 3.762 30 20 BHED CC(CC1CCC1)=NOC1CCCCC1 777458544 GBUDGTJXCYAZGL-UHFFFAOYSA-N 209.333 3.902 30 20 BHED C=C(C)COc1cccc(N[C@H]2CC[C@H]2C)c1 783584399 MIJKZXXFTMUYSF-DOMZBBRYSA-N 231.339 3.852 30 20 BHED CC[C@H](C)NN=C[C@@H](C)CCc1ccccc1 790183965 PYQQTYJZQFNZQM-KBPBESRZSA-N 232.371 3.629 30 20 BHED C#C[C@@H](CCC)NC(=O)[C@H](C)CCCCCC 791746621 NGKMHTOMWNURPA-KGLIPLIRSA-N 237.387 3.511 30 20 BHED Fc1cccnc1NN=C1CCC[C@H](C2CC2)C1 794984546 LIQHHLINQLMLFT-NSHDSACASA-N 247.317 3.589 30 20 BHED CC[C@H]1CC[C@@H](C)CC1=NOCCOC(C)C 812237688 KBLXLBFYQZIONM-OLZOCXBDSA-N 241.375 3.630 30 20 BHED CC(Cc1ccccc1F)=NOCCC1CC1 814245947 PCYCGEYHUZZOTF-UHFFFAOYSA-N 235.302 3.561 30 20 BHED C[C@H](NN=C1CC(C)(C)C[C@H]1C)c1ccncc1 819816511 KICGXYZYIULQJA-NEPJUHHUSA-N 245.370 3.544 30 20 BHED C=C(C)CON=C1CC(c2ccc(F)cc2)C1 844618469 BTQMTIZDIBHZCO-UHFFFAOYSA-N 233.286 3.652 30 20 BHED C#CCCCN(Cc1ccsc1)C(C)(C)C 852312069 UEEZEZKGCIGXKL-UHFFFAOYSA-N 235.396 3.762 30 20 BHED C[C@H](CCSc1ccccc1)ON=CC1CC1 853735396 UGOAFMITGANNPL-GFCCVEGCSA-N 249.379 3.970 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1c(C)noc1C 926483988 WNXMHAGZMGCZNW-JTQLQIEISA-N 236.359 3.544 30 20 BHED CC[C@@H]1CCCN1CCCCC1(C#N)CCC1 929491487 GQAPLQRADURYGW-CQSZACIVSA-N 234.387 3.725 30 20 BHED CCC[C@@H](NCc1cccc(C#N)c1)C(C)(C)C 1307776214 JDFHJZMMPKQXRW-OAHLLOKOSA-N 244.382 3.863 30 20 BHED Cc1cccc(C(=O)/C=C/c2cccc(C#N)c2)c1 21957342 RRVWYOMQIMKANN-CMDGGOBGSA-N 247.297 3.763 30 20 BHED C[C@H](Nc1cccc(F)c1C#N)c1ccccc1 35134918 HRQLPXORZYBACC-NSHDSACASA-N 240.281 3.870 30 20 BHED CCCCCC[C@H](C)N[C@H](CC)CC#N 49202532 JJYYNXTWVDCHOK-QWHCGFSZSA-N 210.365 3.627 30 20 BHED O=C(/C=C/c1cc(F)ccc1F)c1ccccc1 59269306 JCBVABPXVRGINZ-RMKNXTFCSA-N 244.240 3.861 30 20 BHED CC1(C)CCC[C@@H](NCc2ccc(C#N)cc2)C1 79977563 AQEYKIGBMCPAHT-OAHLLOKOSA-N 242.366 3.617 30 20 BHED C=CCCOc1ccc(C(F)(F)F)cc1 82229469 FXLVXNJNMHPGJB-UHFFFAOYSA-N 216.202 3.660 30 20 BHED C=CCN(C(=O)C[C@H]1C=CCC1)c1ccccc1 97008600 NUXFYPUVBIQFAD-AWEZNQCLSA-N 241.334 3.562 30 20 BHED CC[C@@H](CC#N)NC1CCC2(CCCC2)CC1 129379407 PWXVXPJDYIFEQG-ZDUSSCGKSA-N 234.387 3.771 30 20 BHED C=CCCC(=O)Nc1cccc(OCCCC)c1 171439764 YNWDPYDOZPLYPR-UHFFFAOYSA-N 247.338 3.770 30 20 BHED CCCCCCCCCOCc1ncc[nH]1 180049469 UOMKPZBEYLUVSA-UHFFFAOYSA-N 224.348 3.677 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cnn(C(C)(C)C)c1C 191368313 CUJYJEXSNFRAKZ-RYUDHWBXSA-N 249.402 3.562 30 20 BHED C=CCCCCCN(Cc1cccnc1)C1CC1 193453995 XNWDHCVVQOPOHH-UHFFFAOYSA-N 244.382 3.792 30 20 BHED Cc1ccc(C(=O)/C=C\c2ccc(F)cc2C)o1 255794630 NDYGSDNFNWCQMF-ALCCZGGFSA-N 244.265 3.932 30 20 BHED Cc1cc(C#N)cc(NCc2ccc(Cl)o2)c1 308111311 XSRCXFOLKCSMDR-UHFFFAOYSA-N 246.697 3.725 30 20 BHED Cc1ccccc1/C(O)=N/[C@](C)(C#N)CC(C)C 330761335 MXBIBPRCMVUJKE-HNNXBMFYSA-N 244.338 3.628 30 20 BHED C=C(C)CCN[C@@H]1CCSc2ccccc21 386692039 KQQHNDGITBJXHQ-CYBMUJFWSA-N 233.380 3.779 30 20 BHED C=C(C)CN(Cc1ccccc1)C[C@@H](F)CC 440513982 KZPHXLNFFKPIPS-HNNXBMFYSA-N 235.346 3.813 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc2ccoc2c1 467902874 XSFKERCDVMPUFR-HNNXBMFYSA-N 243.306 3.974 30 20 BHED C=CCOCCCOc1ccc(Cl)c(C)c1 475939105 LBRGIZIRDVUONN-UHFFFAOYSA-N 240.730 3.620 30 20 BHED C=C(C)CCN(C)[C@@H]1CCc2ccccc21 509314067 MLOVERCPELRSQZ-OAHLLOKOSA-N 215.340 3.572 30 20 BHED CCC[C@H](CN(CC)CCC#N)c1ccccc1 539406741 GYBPHJZSBMPHCG-MRXNPFEDSA-N 244.382 3.806 30 20 BHED C=C(C)CN1CC[C@H](C)c2ccccc21 549938829 MXAJYKSEEOUNAQ-LBPRGKRZSA-N 201.313 3.576 30 20 BHED C=CCCCCS[C@@H](C)c1nnc(CC)o1 591400973 FPNKPALMAUUBSI-JTQLQIEISA-N 240.372 3.783 30 20 BHED CC[C@H](CSCc1ccc(C#N)cc1C)OC 591408952 RJTYJXVEOSYUCU-CQSZACIVSA-N 249.379 3.525 30 20 BHED CC[C@@H](C)CCN[C@H](C)c1ccc(C#N)c(F)c1 595072897 KCSAIXRHFMAHAX-VXGBXAGGSA-N 248.345 3.784 30 20 BHED C=CCCCN1CCC[C@H]1c1cccc(OC)c1 605149722 CFHAUTXJBFWNQY-INIZCTEOSA-N 245.366 3.798 30 20 BHED C#CC(=O)N(CCCCCC)CCCCCC 710323520 RVGFEZMGJKEKMZ-UHFFFAOYSA-N 237.387 3.609 30 20 BHED CCCCCCCCC(=O)N1CC[C@H](C)[C@@H]1C 752390871 RXIJHZSYCFGXBQ-KBPBESRZSA-N 239.403 3.994 30 20 BHED CCCCCCCCNC(=O)[C@H]1C[C@@H]1C1CC1 754855051 SVWKIZLYEYNYPW-KGLIPLIRSA-N 237.387 3.509 30 20 BHED CCC(CC)[C@H](C)C(=O)Oc1ccc(C#N)cc1 761458113 DVLSJFWQWKTJGW-NSHDSACASA-N 245.322 3.536 30 20 BHED CCCC(CC)=NNCCCc1ccccc1 776185869 FZDJXLWJGARFOO-UHFFFAOYSA-N 232.371 3.775 30 20 BHED CCc1ccccc1NN=C(C)[C@]1(C)CCCO1 782198324 BUXXDDAWXUCERT-HNNXBMFYSA-N 246.354 3.606 30 20 BHED CCC(CC)CNN=Cc1cc2ccccc2[nH]1 788441755 WBAHTNLXPXKISK-UHFFFAOYSA-N 243.354 3.528 30 20 BHED CCCCCCCCCC(=O)NOC1CCC1 812796072 QGKBZFSWCWEPBH-UHFFFAOYSA-N 241.375 3.727 30 20 BHED C1=C([C@@H]2CCCCC2=NNC2CC2)CCCC1 814903030 NUCBCAPCMSHPCR-AWEZNQCLSA-N 232.371 3.785 30 20 BHED C#CCCc1noc([C@H](CCC)CC(C)C)n1 834585289 LTVIGWMDQAQFCF-GFCCVEGCSA-N 234.343 3.565 30 20 BHED C=C(CC)CNC(=S)Nc1cc(C)ccc1C 840826469 MIYRDUQOJVCUCY-UHFFFAOYSA-N 248.395 3.556 30 20 BHED CCCON=CC1CCC(C(F)(F)F)CC1 842554111 NRHANGIGSUPLFW-UHFFFAOYSA-N 237.265 3.768 30 20 BHED CCCCCCCN1Cc2ccc(O)cc2C1 859478641 HAJAGVCFADEGLX-UHFFFAOYSA-N 233.355 3.678 30 20 BHED CC(=NOC(C)(C)C)c1cc(F)c(F)c(F)c1 1323131064 FNCYOYVLUQHUBF-UHFFFAOYSA-N 245.244 3.643 30 20 BHED C#C[C@H](N[C@H](C)Cc1ccccc1Cl)C(C)C 1327401918 DIQGMATZSOXRTA-DOMZBBRYSA-N 249.785 3.518 30 20 BHED CCC[C@H](C)CC(=O)O[C@@H](CC#N)c1ccco1 1346720802 ZBWHUEWXOWRCMQ-AAEUAGOBSA-N 249.310 3.604 30 20 BHED Cc1c(C#N)c(C(C)(C)C)nc2ccccc12 15453895 ZOCFHBHLQISLLY-UHFFFAOYSA-N 224.307 3.712 30 20 BHED C[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2F)C1 37412620 UCDCTHJBWLYKHA-CMPLNLGQSA-N 232.302 3.688 30 20 BHED N#CCC1(CNc2ccc(Cl)cc2F)CC1 83853963 BFGBOLRDWMCTKC-UHFFFAOYSA-N 238.693 3.585 30 20 BHED C=C[C@@H](CC(=O)NCCCCC)c1ccccc1 121391006 OBMVNVUIVOYEGC-AWEZNQCLSA-N 245.366 3.653 30 20 BHED C=CCOc1ccc(CN[C@@H](C)C(C)(C)C)cc1 134553294 VOIGAWBENTZVKU-ZDUSSCGKSA-N 247.382 3.776 30 20 BHED CC[C@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1C 165503042 USLORBIIQGAPJT-BBRMVZONSA-N 242.366 3.630 30 20 BHED CC(C)N(Cc1cccc(C#N)c1)CC1CCC1 173583854 FDKDRXUTOXGGEH-UHFFFAOYSA-N 242.366 3.569 30 20 BHED Cc1c(C#N)c(C(C)C)nc2cc(F)ccc12 181310728 IBXJPJHIXMTOLP-UHFFFAOYSA-N 228.270 3.677 30 20 BHED COc1cccc(CS[C@H](C)CCC#N)c1 188305321 GNZUMMMMEQEEMM-LLVKDONJSA-N 235.352 3.621 30 20 BHED C[C@@H](NCCC#N)c1cccc(Cl)c1Cl 235216591 DLGCWZMYWIDJJP-MRVPVSSYSA-N 243.137 3.558 30 20 BHED CCOc1ccccc1C=NNc1ccccc1 254705629 FFBPXUXGJZJKLX-UHFFFAOYSA-N 240.306 3.531 30 20 BHED CC(=NOC(C)C)c1cc2ccccc2o1 255088697 SRGMGWGZXAKHGC-UHFFFAOYSA-N 217.268 3.582 30 20 BHED Cc1ccccc1C(C)(C)NCCCCC#N 293001630 NBOXQROJRREMIC-UHFFFAOYSA-N 230.355 3.514 30 20 BHED C=CCCCN[C@H](C)c1cc(C)ccc1OC 301726784 BCCKAFCYCMCPKD-CYBMUJFWSA-N 233.355 3.620 30 20 BHED C=CCCC[C@@H](C)Nc1ccc(C#N)cc1F 302049700 ZVFHVSSVPDVVFP-LLVKDONJSA-N 232.302 3.854 30 20 BHED C=C(C)CNCc1csc(Cl)c1Cl 308255606 IYGOTPHTGDRFJZ-UHFFFAOYSA-N 236.167 3.721 30 20 BHED C=CCC[C@@H](CC)N[C@H]1CCC(F)(F)C1 309195434 QLDNTRXQYPTRME-MNOVXSKESA-N 217.303 3.509 30 20 BHED CC[C@@H](C)[C@@H](NCC#N)c1ccc(Cl)cc1 309456261 MNUYREYCTKSBPQ-ZWNOBZJWSA-N 236.746 3.540 30 20 BHED CCC#C[C@@H](C)N[C@@H](C)c1cc(C)sc1C 309653027 YHGXHSVTVBOWDH-PWSUYJOCSA-N 235.396 3.817 30 20 BHED C=CCC[C@H](CCC)N[C@@H]1CCC(F)(F)C1 309995774 CCDJVPJJUPQFFJ-NWDGAFQWSA-N 231.330 3.899 30 20 BHED CC(C)(CNc1ncccc1C#N)C1=CCCC1 312571762 ZEGAISXRNJAPHU-UHFFFAOYSA-N 241.338 3.502 30 20 BHED C=CCCCCCCCNC[C@@H]1CCSC1 381212577 HJMHMWMEMWLZFZ-AWEZNQCLSA-N 241.444 3.856 30 20 BHED C=CC(C)(C)C(=O)N(C)c1cccc(SC)c1 448870202 SREPIYPIUDGBCS-UHFFFAOYSA-N 249.379 3.584 30 20 BHED C=CC(C)(C)C(=O)N[C@H](C)c1c(C)cccc1C 450618436 UXXTWEBADDMZPC-CYBMUJFWSA-N 245.366 3.693 30 20 BHED CN(CC1CCCC1)c1c(Cl)cccc1C#N 462797280 CTPPGIZYVNFYDA-UHFFFAOYSA-N 248.757 3.838 30 20 BHED CC(C)[C@H]1C[C@@H](Nc2cccc(C#N)c2)CS1 488300039 NZGYYASEJMZXGG-ZIAGYGMSSA-N 246.379 3.500 30 20 BHED C=CCN(CC=C)Cc1cc(Cl)ccc1F 505858646 HWTRBALJWGUSNI-UHFFFAOYSA-N 239.721 3.653 30 20 BHED Cc1cc(OCC[C@@H](C)F)c(C)c(C)c1C#N 506382117 PTKLMHKMUAIHLO-SNVBAGLBSA-N 235.302 3.610 30 20 BHED C[C@@H]1CCCC[C@H]1CN(CC#N)C1CCCC1 541535071 NBYHYEBJDSAKEK-KGLIPLIRSA-N 234.387 3.581 30 20 BHED C/C(=C\c1ccccc1)CN(CCC#N)C(C)C 577943830 DPIDAKUSRUOTSR-NTCAYCPXSA-N 242.366 3.714 30 20 BHED Cc1cc(C)c2c(c1)CC[C@H]2NCCCCC#N 594493944 BPRFOTDVJLPJCU-OAHLLOKOSA-N 242.366 3.574 30 20 BHED CCC[C@H](C)N[C@@H](CC)c1ccc(C#N)cc1 618561467 WPEMLBOEMWJWIK-WFASDCNBSA-N 230.355 3.788 30 20 BHED C=CCN(C(=O)[C@@H]1CCCC[C@H]1C)C(C)(C)C 622945781 SRLBBCVUCFLGDV-CHWSQXEVSA-N 237.387 3.626 30 20 BHED CCC(=NNc1cccc(Cl)c1)C1CC1 741160120 JYSLXQHKDDHPAL-UHFFFAOYSA-N 222.719 3.928 30 20 BHED C#CCN(C)[C@H](C)c1ccc(-c2ccccc2)cc1 743858986 IIOGNEZZSADXSE-OAHLLOKOSA-N 249.357 3.980 30 20 BHED C=C(C)CCOC(=O)C[C@H](C)c1ccccc1 744304295 JVIHMHCXTINNTA-ZDUSSCGKSA-N 232.323 3.690 30 20 BHED C=C(C)CCOC(=O)C[C@@H]1CCCC[C@H]1C 744304673 WTQRIRHJVNGUQG-OLZOCXBDSA-N 224.344 3.712 30 20 BHED CCCCNN=C(C)[C@@H](C)c1ccc(OC)cc1 747632585 FSPDNRGYSYSIQJ-GFCCVEGCSA-N 248.370 3.564 30 20 BHED O=C(/C=C/c1ccc(Cl)nc1)c1ccsc1 748999832 ZCTOKDGSMKYSSZ-HNQUOIGGSA-N 249.722 3.693 30 20 BHED Cc1cccc(C)c1C=NNc1ccc(F)cc1 755472412 RDXXNQCDIRRALE-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C[C@H]1CC(C)(C)CCC1=NO[C@@H]1CCCCO1 755822536 VKDMTGRLCSYAMM-WCQYABFASA-N 239.359 3.732 30 20 BHED C=C1CCN(C(=O)[C@@H](CC)CCCCC)CC1 775717949 WBKYVZCWILJPIL-AWEZNQCLSA-N 237.387 3.772 30 20 BHED Cc1ccc(C)c(/C=C/C(=O)c2cscn2)c1 776192428 JVQBHVHZVIULCP-AATRIKPKSA-N 243.331 3.656 30 20 BHED C=CCCCCCOC(=O)Cc1cccs1 782007785 ITIVYAOQRYXSNO-UHFFFAOYSA-N 238.352 3.580 30 20 BHED CC(C)CCC(=NOC/C=C\Cl)C1CC1 811669056 BHXOSFIBINKZCA-UBOJIEIXSA-N 229.751 3.958 30 20 BHED CO[C@@H](C)C(C)=NNc1c(C)cccc1C(C)C 812232791 MHHBJNFYIVCXHF-ZDUSSCGKSA-N 248.370 3.941 30 20 BHED CC1=CCC[C@H](C)[C@@H]1C=NOCCC1CC1 814247050 OUTRFXSEQXLGHQ-GXTWGEPZSA-N 221.344 3.781 30 20 BHED C=CCCCCC[C@@H](C)N[C@@H](C)c1ccn(C)n1 839193085 YKTFBWBQETYAHF-KGLIPLIRSA-N 249.402 3.596 30 20 BHED C=CCCC(C)(C)NC(=O)/C=C/C1CCCC1 856374829 IJUIYBWKUKKPIW-ZHACJKMWSA-N 235.371 3.594 30 20 BHED C=C1CC(c2noc([C@H]3C[C@]3(C)C(C)C)n2)C1 896884643 STFRAUIKKWMPLD-BXUZGUMPSA-N 232.327 3.653 30 20 BHED CCN(Cc1ccccc1F)C[C@H](C)CCC#N 1119237663 KUCQTOUUVAWPTP-CYBMUJFWSA-N 248.345 3.587 30 20 BHED CCC(=NOC(C)(C)C)c1ccc(F)cc1 1319802523 GNYIVKWJVYYHEY-UHFFFAOYSA-N 223.291 3.755 30 20 BHED C=CCCCCCN(C)[C@H]1CC[C@@H](SC)C1 1321326611 NGVJAIAPIZQYMJ-UONOGXRCSA-N 241.444 3.949 30 20 BHED C#CCCCCCC(=O)NCC(C)(C)C1CCC1 1324581390 AWAZYIKHWRAPCL-UHFFFAOYSA-N 249.398 3.513 30 20 BHED CC(C)C1CCC(Nc2cccc(C#N)n2)CC1 1642407093 IWQZXLVETSTOCT-UHFFFAOYSA-N 243.354 3.580 30 20 BHED N#Cc1cc2cccc(Br)c2s1 83337965 JZYUFQYAEIDRKY-UHFFFAOYSA-N 238.109 3.535 30 20 BHED Cc1ccc(F)c(NCc2ccc(C#N)s2)c1 128184400 QEHNWDGEPKARDD-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C[C@H](CCC#N)Sc1ccccc1F 188193306 BNDCSWBPLVCPPQ-SECBINFHSA-N 209.289 3.610 30 20 BHED COc1cccc(CCCSCCCC#N)c1 190956323 DJHVQHMMBYCGAZ-UHFFFAOYSA-N 249.379 3.665 30 20 BHED CCCCCCCC(=O)N[C@@H](C)c1cccnc1 192564897 LLVYNSPTOSBVPR-ZDUSSCGKSA-N 248.370 3.619 30 20 BHED C=CCSCCN[C@H](C)CCc1ccccc1 226319047 SXJBHRJROMQRMB-CQSZACIVSA-N 249.423 3.517 30 20 BHED C=CC[C@H](CC)NC/C=C/c1ccccc1 309501376 ZUAOURSWIMWIOM-JQVXPOPVSA-N 215.340 3.644 30 20 BHED CCC1(C(O)=Nc2cccc3ocnc23)CCC1 328875288 JSMATUWWMXJAED-UHFFFAOYSA-N 244.294 3.996 30 20 BHED CC(C)(C#N)CCCCN1CCC[C@H]1C1CCC1 364350284 DOTKUCANXXNZRI-HNNXBMFYSA-N 248.414 3.971 30 20 BHED C=CCC[C@@H](NCC=C(C)C)c1ccco1 381469082 LZJAUONZBPHLNP-CYBMUJFWSA-N 219.328 3.843 30 20 BHED C=CCC[C@H](C)NCc1c(C)cccc1F 390121593 FZBJWYISWBJRIZ-LBPRGKRZSA-N 221.319 3.578 30 20 BHED C[C@H](NCC1(C#N)CCC1)c1cccc(Cl)c1 450659952 JSVNISJGTMPRON-NSHDSACASA-N 248.757 3.684 30 20 BHED C=C(C)CCNC(=O)C[C@@H](CC)CCCC 452717032 KJVHNRCHULRPBO-ZDUSSCGKSA-N 225.376 3.675 30 20 BHED C=CCC[C@@H](CC)N[C@@H](CC)C1CCOCC1 462109394 QHICGUVMOGZESR-CABCVRRESA-N 239.403 3.526 30 20 BHED C=CC[C@@H](C)NCCc1ccc(C(C)C)cc1 469186060 ZFQHSWOEPFAGCK-CQSZACIVSA-N 231.383 3.907 30 20 BHED C=C(C)CN(CC)[C@@H]1CCc2ccc(F)cc21 488567474 KKJHVYIIXZFVPK-OAHLLOKOSA-N 233.330 3.711 30 20 BHED CC[C@H](C)[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 540707349 VSXFBWKZZNWPFU-SRVKXCTJSA-N 248.345 3.783 30 20 BHED C[C@@H](c1noc(CCCCCC#N)n1)C(C)(C)C 589129216 XQDCFDDTZLNZQZ-NSHDSACASA-N 249.358 3.846 30 20 BHED Cc1noc(C)c1-c1ccc([C@H](C)C#N)cc1 592986402 HIBFEWIVOICMAD-SECBINFHSA-N 226.279 3.586 30 20 BHED N#C[C@@H](Sc1ccccc1Cl)C1CC1 601071235 YJDWGDHJUQSIBL-LLVKDONJSA-N 223.728 3.734 30 20 BHED CC(C)C[C@H](C)CN[C@H](C)c1cccc(C#N)c1 619621150 QQNVQOCIGJLPLN-UONOGXRCSA-N 244.382 3.891 30 20 BHED C[C@@H](CC(C)(C)C#N)N[C@@H](C)C1CCCCC1 695818749 YTYZZHKWZDXEOP-STQMWFEESA-N 236.403 3.873 30 20 BHED Fc1cccc(C=NOCc2ccccc2)c1F 730728323 QJISWXNZBZBNDD-UHFFFAOYSA-N 247.244 3.516 30 20 BHED C=CCN(C(=O)[C@H](C)CC1CCCC1)C(C)C 733915976 AIZFVYJWUKKVAX-CYBMUJFWSA-N 237.387 3.626 30 20 BHED C=C(C)CCOC(=O)C[C@H]1CCCC[C@@H]1C 744304674 WTQRIRHJVNGUQG-QWHCGFSZSA-N 224.344 3.712 30 20 BHED CCCCCCCCCCC(=O)N1CC(F)C1 753071714 RTHAVCCAVWBXSY-UHFFFAOYSA-N 243.366 3.698 30 20 BHED C#CCCCN[C@@H](CCc1ccccc1)C(C)C 766232133 GAKNFYRNVPZFRX-KRWDZBQOSA-N 243.394 3.647 30 20 BHED C=CC[C@@H]1N(C(=O)C=C(C)C)CCCC1(C)C 767218793 KYBKWKDZDRSGAG-ZDUSSCGKSA-N 235.371 3.546 30 20 BHED Cc1ccc(C=NNc2cccc(C#N)c2)c(C)c1 767336515 PSEHZFGDICPCPG-UHFFFAOYSA-N 249.317 3.621 30 20 BHED CC(=NNCCC(C)(C)C)C1CCCCC1 782906713 CZOBAIRGSQHTRH-UHFFFAOYSA-N 224.392 3.968 30 20 BHED C#CCCCNC1CCC2(CCCCC2)CC1 786147392 KWGNHRANXPUNPD-UHFFFAOYSA-N 233.399 3.883 30 20 BHED C=CCCCCCCNC(=O)C(C)(C)CC=C 814130032 MSIUCIHNTAJXDI-UHFFFAOYSA-N 237.387 3.841 30 20 BHED C=CCC(F)(F)c1nc([C@@H](C)CCC)no1 815671406 FGUSWPCODDZCRN-QMMMGPOBSA-N 230.258 3.641 30 20 BHED C[C@H](NN=C1CCCC(C)(C)C1)c1ccncc1 819816785 OYCGZGCJWZPDHW-LBPRGKRZSA-N 245.370 3.688 30 20 BHED CCC(=NNc1ccc(Cl)nc1)[C@H]1C[C@@H]1C 841627736 BBBVSLQBJDAMPX-WPRPVWTQSA-N 237.734 3.569 30 20 BHED CCCON=C(C)c1ccc2ccccc2c1O 842565102 CCEKBSNKXNNBCD-UHFFFAOYSA-N 243.306 3.696 30 20 BHED CC(C)c1ccccc1CN[C@@H]1CC[C@H](C#N)C1 848558868 OYZPTLLZZNRZEE-DZGCQCFKSA-N 242.366 3.592 30 20 BHED CC/C=C/CCOC(=O)CC1(C#N)CCCCC1 849907060 QUBHJVGBRADJIN-ONEGZZNKSA-N 249.354 3.750 30 20 BHED C[C@@H](CC(C)(C)C#N)OC(=O)/C=C\C1CCCC1 851206876 XFZONEVENKOXQG-LAUAKBEESA-N 249.354 3.604 30 20 BHED C#CCCCCNCc1ccc(CCC)s1 856773258 UQHQIIOZWVVLPO-UHFFFAOYSA-N 235.396 3.594 30 20 BHED C=C[C@H](CC)CC(=O)NC[C@@H](C)c1ccccc1 929367029 JXDNQOIZFURNHS-ZIAGYGMSSA-N 245.366 3.509 30 20 BHED C=C[C@H](CC)CC(=O)Nc1cccc(F)c1C 933931922 OIYCOIWDTRNXBM-LLVKDONJSA-N 235.302 3.675 30 20 BHED C=C(C)CCC(=O)Nc1cc(C)ccc1C 1336738296 VCHRDFMLAVMBQZ-UHFFFAOYSA-N 217.312 3.598 30 20 BHED CC(C)[C@H]1CCCCCN1CCC(C)(C)C#N 1616683197 GDNABLYRRHONCL-CQSZACIVSA-N 236.403 3.827 30 20 BHED CC[C@@H](CC#N)NCc1ccc(C(C)(C)C)cc1 54182154 LVHTWDMRLJKNEA-HNNXBMFYSA-N 244.382 3.766 30 20 BHED C=CCCC(=O)N1CCCCC[C@@H]1c1ccco1 76496310 NSEOFUBITUTMIU-CYBMUJFWSA-N 247.338 3.690 30 20 BHED CC(C)(C)[C@@H]1CCN(c2ccc(F)cc2C#N)C1 128453511 NIJFSEUSIBMMDC-GFCCVEGCSA-N 246.329 3.570 30 20 BHED C=CCCNc1cc(C)ccc1Br 134219614 RTBORYYYOJPPDC-UHFFFAOYSA-N 240.144 3.746 30 20 BHED Cc1ccnc(NC(C)(C)CC(C)(C)C)c1C#N 135072048 HKUSKUNVPZZPPZ-UHFFFAOYSA-N 245.370 3.888 30 20 BHED C=C(CN[C@H](CC)CCC)c1ccccc1 148031927 UGXBEPVNFTUNPG-OAHLLOKOSA-N 217.356 3.868 30 20 BHED Cc1cc([C@H](C)N[C@H]2CC[C@H](C#N)C2)c(C)s1 274655071 UFGCPSZLDUIPKK-DRZSPHRISA-N 248.395 3.708 30 20 BHED COCC[C@@H](C)S[C@H](C)c1cccc(C#N)c1 276267388 YVCOGVACEXDVQH-VXGBXAGGSA-N 249.379 3.777 30 20 BHED CC#CCSCc1ccc(Cl)cc1 306479044 AUARVKSBKJOMMY-UHFFFAOYSA-N 210.729 3.597 30 20 BHED CCCCCCCN[C@@H]1CCC12CCC2 309177101 NCUZDLJEQWJBHH-CYBMUJFWSA-N 209.377 3.879 30 20 BHED C#CCCN[C@@H](CCCCC)C(C)(C)C 309187079 PAHKUMDDUBPQIE-ZDUSSCGKSA-N 209.377 3.594 30 20 BHED N#C[C@H]1CC[C@H](Nc2cc(F)cc(Cl)c2)C1 309595012 UGNOENJHCIIRGS-KWQFWETISA-N 238.693 3.583 30 20 BHED Cc1ccc(COc2cc(F)cc(C#N)c2)cc1 310794529 BZWNZJGSJLEMKX-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=CCC(C)(C)c1noc(-c2ccsc2)n1 340833540 XOLUTUVLYFORSA-UHFFFAOYSA-N 234.324 3.652 30 20 BHED C=CCC[C@@H](C)N[C@H](C)c1ccc2n[nH]cc2c1 353193822 BXFKJQZVRKXDNG-VXGBXAGGSA-N 243.354 3.568 30 20 BHED C=CC[C@H](CC)NCc1ccc([C@@H]2C[C@H]2C)o1 393771892 UMHRUGUDOKDOTG-MBNYWOFBSA-N 233.355 3.847 30 20 BHED C=C(CC)CN[C@@H](C)c1ccc(C)cc1C 393772463 UWRGQBQGADZXGR-AWEZNQCLSA-N 217.356 3.920 30 20 BHED CCCSCc1ccc(C#N)c(C)c1 447412217 FQIGRVVYPNGOPD-UHFFFAOYSA-N 205.326 3.510 30 20 BHED C=CC(C)(C)CNC(=O)C[C@@H]1CCC[C@@H](C)C1 452774496 FFZVBVAOFAXOAP-CHWSQXEVSA-N 237.387 3.531 30 20 BHED CC(C)N(CCC#N)C[C@H]1CCCC(C)(C)C1 536639845 SODZTLVFXRIIGG-AWEZNQCLSA-N 236.403 3.827 30 20 BHED C=C(CC)CSCCOc1ccccc1 536880424 CAHBIBBVJGMPCB-UHFFFAOYSA-N 222.353 3.765 30 20 BHED CCC[C@H](CC)N[C@@H]1CCc2ccc(C#N)cc21 578472620 HRRVMWLGINJRSA-GOEBONIOSA-N 242.366 3.714 30 20 BHED C=CCC1(CNCc2ccncc2C)CCCC1 579673420 ZPZBEUZMXLZMJB-UHFFFAOYSA-N 244.382 3.616 30 20 BHED N#CC1(CNC2CCC3(CCCCC3)CC2)CC1 579699787 KNVMRMKCSQKGRB-UHFFFAOYSA-N 246.398 3.773 30 20 BHED CCC[C@H]1CCCC[C@H]1NCC1(CC#N)CC1 583440615 NDHZIDSCBMCQFE-UONOGXRCSA-N 234.387 3.629 30 20 BHED CC[C@@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)o1 584865374 ASHVNYJAUHKZCU-DOMZBBRYSA-N 246.354 3.552 30 20 BHED C=CCCCN(C)Cc1cccc(Cl)c1 605149673 PHAGMTWGXFNLJB-UHFFFAOYSA-N 223.747 3.738 30 20 BHED C=CCCCN(C)[C@@H]1CCCc2ccccc21 605149685 RXGVLAQSFZBLKB-MRXNPFEDSA-N 229.367 3.962 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C2CCC=CCC2)C1 636172388 XUURRFPRFTUSLT-CQSZACIVSA-N 247.382 3.548 30 20 BHED C=CCCCOC(=O)c1ccc(C)c(Cl)c1 735533943 NVOXGAAPZXZYEB-UHFFFAOYSA-N 238.714 3.771 30 20 BHED C=CCCCC(=O)O[C@@H](C)c1cccc(C)c1 748684550 KPPCQKFOCCOOLZ-ZDUSSCGKSA-N 232.323 3.956 30 20 BHED C#CCCN1CCCC[C@@H]1c1ccc(F)cc1F 760860856 SLZIWNIOYYTZSJ-OAHLLOKOSA-N 249.304 3.515 30 20 BHED CCOc1ccc(SCCCCC#N)cc1 761079391 XMECVWCBXWDXPH-UHFFFAOYSA-N 235.352 3.871 30 20 BHED CCON=C1C[C@H](C(C)C)c2ccccc21 766432872 CYVSKFUBRLHXAW-CYBMUJFWSA-N 217.312 3.571 30 20 BHED Cc1ccnc(NN=C2CC[C@H](C)[C@@H](C)C2)c1 767385373 NABWVAHOYFASTP-RYUDHWBXSA-N 231.343 3.614 30 20 BHED CCCCCCC[C@H](C)NCc1cc(C)ncn1 768514585 XTSSJQKRKBMHGK-ZDUSSCGKSA-N 249.402 3.624 30 20 BHED C#CCCCN[C@@H](CCC=C)c1ccccc1 772864487 IUSREARBVJQTHA-INIZCTEOSA-N 227.351 3.697 30 20 BHED C=CCOc1c(C=O)cc(Cl)c2ccccc12 774666328 YGZVWTBWPIWINU-UHFFFAOYSA-N 246.693 3.871 30 20 BHED CC[C@@H]1CCCCC1=NNC1CCCCC1 786039826 HVCYLSRUPOXZSU-GFCCVEGCSA-N 222.376 3.865 30 20 BHED C=CCCCCC[C@H](C)NC[C@H]1CCC=CO1 793559011 XYBKVYYJUHHFLJ-LSDHHAIUSA-N 237.387 3.794 30 20 BHED CCCC(CC)=NN[C@H](C)COc1ccccc1 811665364 ORMRVGHZEXPYNA-CYBMUJFWSA-N 248.370 3.610 30 20 BHED CC1(C)CCC[C@@H](C=NOC2CCC2)C1 812235438 VHCLOWPNMCJDHM-LLVKDONJSA-N 209.333 3.758 30 20 BHED Cc1cc(C=NOC2CCC2)ccc1Cl 812237324 UMWJGEQNMGFZBX-UHFFFAOYSA-N 223.703 3.551 30 20 BHED CCCCCCCCC(=O)NCC(C)(F)F 818251903 INSCDXRFAMDWJW-UHFFFAOYSA-N 235.318 3.508 30 20 BHED C[C@H](C=NN1CCCC[C@@H]1C)c1ccccc1 853378511 FNWXEUMPPXXFCJ-KGLIPLIRSA-N 230.355 3.650 30 20 BHED CC(C)c1nc(C=NNc2ccccc2)cs1 1317927110 ITBXRTKOLKAXSD-UHFFFAOYSA-N 245.351 3.713 30 20 BHED CC[C@H](C)CCC(=O)O[C@@H](CC#N)c1ccco1 1347949151 RJSNUZUFHRVMQY-AAEUAGOBSA-N 249.310 3.604 30 20 BHED Cc1ccc(/C=C/C(=O)c2ccc(O)cc2)s1 6338478 NOZMKNVPBABJQK-CMDGGOBGSA-N 244.315 3.658 30 20 BHED COc1ccc(C)cc1NCCCC(C)(C)C#N 87597087 DLIIZVWZXPLGOX-UHFFFAOYSA-N 246.354 3.746 30 20 BHED C=CC1CCN(C(=O)[C@H](C)CC2CCCC2)CC1 114274627 JMKQMAHMXHAWSQ-CYBMUJFWSA-N 249.398 3.627 30 20 BHED C=CCC(CC=C)C(=O)N(CC)C1CCCCC1 122595204 KWIRIDLASMADGV-UHFFFAOYSA-N 249.398 3.936 30 20 BHED C=CCC(CC=C)C(=O)N1CC[C@@H](CC(C)C)C1 151090115 NFWABOHDQXHCST-AWEZNQCLSA-N 249.398 3.649 30 20 BHED C=CCC[C@H](CCC)N[C@@H](C)c1nccs1 153431027 SFPSLCIXTWBOOI-RYUDHWBXSA-N 238.400 3.929 30 20 BHED N#CCCCCN1CCC[C@H]1c1ccc(F)cc1 160961845 MXWVNDSTROMJPI-HNNXBMFYSA-N 246.329 3.656 30 20 BHED C=CCCCC(=O)Nc1ccc(C)c(C)c1 175082477 XRQOUUZONXBWHA-UHFFFAOYSA-N 217.312 3.598 30 20 BHED C=C(C)CN[C@@H](C)c1cccc(OC(C)C)c1 179683060 VZSJCNWOZBBPHH-ZDUSSCGKSA-N 233.355 3.701 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cc(F)cc(F)c1 189968255 IMQSCIBRMUSYOK-ZDUSSCGKSA-N 239.265 3.506 30 20 BHED CCCCCCCCn1ccc(=O)cc1Cl 190092914 HWDIWDQVTMYOTB-UHFFFAOYSA-N 241.762 3.862 30 20 BHED Cc1ccc(C)c(OCCSCCCC#N)c1 190872024 FOUPJMBRPFXLHC-UHFFFAOYSA-N 249.379 3.719 30 20 BHED C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)c1ccccc1 193024306 KKVUKVHROUAMSZ-CJNGLKHVSA-N 245.366 3.808 30 20 BHED CC[C@H](C)CSc1ccc(C#N)cc1F 228559059 VAILKTANIZTXTE-VIFPVBQESA-N 223.316 3.836 30 20 BHED CC[C@@H](C)CSc1cccc(F)c1C#N 229057237 RJZYFODBAFOXNN-SECBINFHSA-N 223.316 3.836 30 20 BHED CC(C)N(CCCC#N)[C@H](C)c1ccccc1 292387191 ZOINFSNYCWESLF-CQSZACIVSA-N 230.355 3.762 30 20 BHED C=CCCCN[C@H](C)c1cc(F)ccc1F 303520084 LFNYWZNNAIWILV-SNVBAGLBSA-N 225.282 3.582 30 20 BHED C=CCCCCNc1ncc(Cl)cc1F 309060469 VKRWSJSTQMSMPF-UHFFFAOYSA-N 228.698 3.642 30 20 BHED C=CCN[C@@H](CC(C)C)c1ccccc1OCC 342230231 MGOPVMUDPBTRCR-HNNXBMFYSA-N 247.382 3.948 30 20 BHED C=C1CCN(Cc2ccccc2OC(C)C)CC1 353329901 MYVVTISFYVPQGH-UHFFFAOYSA-N 245.366 3.626 30 20 BHED C=CCN(Cc1ccc(C)cn1)c1ccccc1 355046117 WAYBJDQXONPQDM-UHFFFAOYSA-N 238.334 3.583 30 20 BHED C=CCCC1(C(=O)N2CCC(C)(CC)CC2)CC1 355451421 YFLGYNBVKSXZID-UHFFFAOYSA-N 249.398 3.772 30 20 BHED CC(C)CC[C@H](C)NCc1ccc(C#N)c(F)c1 404071969 LXZZBEBMFJGCBB-LBPRGKRZSA-N 248.345 3.612 30 20 BHED C=CCC1(C(=O)N[C@H](CC)C2CCCC2)CCC1 411057225 AKFKVXVAWZHQBZ-CQSZACIVSA-N 249.398 3.818 30 20 BHED CCCC(CCC)NCc1ccc(C#N)s1 421345786 BGHMUDNOBWVRDY-UHFFFAOYSA-N 236.384 3.678 30 20 BHED CC(C)C[C@@H](C)C[C@H](C)N[C@@H]1CC[C@H](C#N)C1 424337552 ZLTCFIBDJRPNHM-CBBWQLFWSA-N 236.403 3.729 30 20 BHED C[C@@H](CC(C)(C)C)NCCc1cccc(C#N)c1 449302152 JFHLDDJMTAWVSO-ZDUSSCGKSA-N 244.382 3.515 30 20 BHED C=CCC1(CN[C@H]2CCC[C@@H](C#N)C2)CCCC1 449603314 GCXZGJDDJVKSQU-CABCVRRESA-N 246.398 3.795 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)[C@@H](OC)C1CC1 449635086 XGKCYSPNIUIZNW-GZBFAFLISA-N 239.403 3.524 30 20 BHED C=CC[C@@H](C)NC(=O)C1=C(C)CC(C)(C)CC1 449892336 YPHGKKYROOOEBD-GFCCVEGCSA-N 235.371 3.594 30 20 BHED CC(C)[C@@H](CN(C)C[C@@H](C)C#N)c1ccccc1 474156156 FKKQOYXYQXCBPZ-GOEBONIOSA-N 244.382 3.518 30 20 BHED N#Cc1cccnc1/C=C\c1ccc(Cl)s1 486101917 KOEIGTMGOOOQMI-HYXAFXHYSA-N 246.722 3.839 30 20 BHED C=CCCC(=O)N(CCC(C)C)CCC(C)C 522485619 SXWKZDNHMIMEGP-UHFFFAOYSA-N 239.403 3.873 30 20 BHED CCC(C)(C)C1CCC(NCC2(C#N)CC2)CC1 564769925 BUSQFHQVZJZRMC-UHFFFAOYSA-N 248.414 3.875 30 20 BHED C=CCCCCNC(=O)[C@H]1CCC(C)=C(C)C1 571168644 ZFCZOXMLSVYHHF-AWEZNQCLSA-N 235.371 3.595 30 20 BHED CC[C@@H](COc1ccc(C#N)cc1)CC(F)F 594879419 WBMVSODVCHZMSJ-SNVBAGLBSA-N 239.265 3.618 30 20 BHED C[C@@H](Sc1ccccc1C#N)c1ccncc1 610340066 OLYFTTALJXNJNZ-LLVKDONJSA-N 240.331 3.807 30 20 BHED C=CCCC(C)(C)NC(=O)C[C@@H]1CCC[C@H]1C 620857741 IEKVQGASABSDGF-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C=CCCC(C)(C)NC(=O)c1cscc1C 620859257 ZGYBCESPYOCGOI-UHFFFAOYSA-N 237.368 3.531 30 20 BHED C=C(C)CCNC[C@H](C)c1ccc(C)cc1 628298626 MIRPBJJFBTWUAF-AWEZNQCLSA-N 217.356 3.654 30 20 BHED C=C(CC)CN[C@@H](CC)Cc1cccs1 648840264 KIEQRAGEORKISN-LBPRGKRZSA-N 223.385 3.625 30 20 BHED CC#CCCCc1nc(CC2CCCCC2)no1 685269479 NELFXWNCDVUPCE-UHFFFAOYSA-N 246.354 3.538 30 20 BHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCC[C@@H](C)CC1 709997569 KUSHFDBVUMIMDG-HZSPNIEDSA-N 236.403 3.873 30 20 BHED CC(C[C@@H]1CCOC1)=NNc1cc(C)ccc1C 751519627 AKYFLWOASCTALO-AWEZNQCLSA-N 246.354 3.518 30 20 BHED C#CCCCOc1cc(CC)nc2ccccc12 770696141 IMHMZVFDQOQCSI-UHFFFAOYSA-N 239.318 3.589 30 20 BHED CCCCCCCCC(=O)N1CCC(F)(F)C1 776517891 QRGSQRFUZXGZPQ-UHFFFAOYSA-N 247.329 3.605 30 20 BHED CCc1ccc(C=NOC2CCCCC2)o1 777457093 KLPJXUSUKNXZJX-UHFFFAOYSA-N 221.300 3.525 30 20 BHED Fc1ccc(C=NOC2CCCCC2)cc1F 777460405 XANWOWBJLIXKTC-UHFFFAOYSA-N 239.265 3.648 30 20 BHED C#CCCCCCC(=O)N[C@H]1CCCCC1(C)C 779933077 CSRDVXBNTXVYSI-AWEZNQCLSA-N 249.398 3.655 30 20 BHED CC[C@@H](C)NN=C(C(C)C)C1CCCCC1 790182875 MWXFLQORECSGRK-GFCCVEGCSA-N 224.392 3.967 30 20 BHED C[C@H](NN=C1CCC[C@@H](C2CC2)C1)C(C)(C)C 793114836 NUWKHCJVKYVYJW-WCQYABFASA-N 236.403 3.967 30 20 BHED C(=NOCCC1CC1)[C@H]1C[C@@H]1c1ccccc1 814245211 LGPXQNWOEJKYFL-HUUCEWRRSA-N 229.323 3.593 30 20 BHED c1ccc([C@@H]2CCC2=NOCCC2CC2)cc1 814245615 ZXNSHAVEUTZSKX-AWEZNQCLSA-N 229.323 3.737 30 20 BHED C=CCCCCN[C@@H](c1ccccn1)C(C)C 828692722 KXAOUCOBWDUJOY-OAHLLOKOSA-N 232.371 3.725 30 20 BHED CCOc1cccc(N[C@@H](C)CC(C)(C)C#N)c1 829179170 KTICZNGUYIYNFT-LBPRGKRZSA-N 246.354 3.826 30 20 BHED COCCC(C)=NNc1ccc(C(C)C)cc1 835018951 YKAAXMYIDKZEFK-UHFFFAOYSA-N 234.343 3.634 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)/C=C/SC 851141865 DZBZUWOGCFIDGS-ZGFRAZBVSA-N 240.368 3.541 30 20 BHED C=CC[C@@H](C)[C@H](C)N[C@H](C)c1ccccc1O 877756271 DVWRFHUWEWWICL-FRRDWIJNSA-N 233.355 3.644 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C2CCC(=C)CC2)C1 898671573 UEWFDRMHHQKBOB-CQSZACIVSA-N 247.382 3.548 30 20 BHED CON=C(C)c1ccc(-c2ccccc2F)s1 914773313 DZFNCECUEDCPFV-UHFFFAOYSA-N 249.310 3.925 30 20 BHED CC(=NNc1cc(C)ccc1C)c1ccncc1 916345731 LMFCHITZDHWPRZ-UHFFFAOYSA-N 239.322 3.535 30 20 BHED C[C@@H](NN=Cc1ccccc1F)c1ccccc1 920386075 PMTFSOBCQAKKQM-GFCCVEGCSA-N 242.297 3.510 30 20 BHED C=C[C@@H](COC)N[C@@H](C)CCC1CCCCC1 1255019873 UYOVATXEEDOECM-ZFWWWQNUSA-N 239.403 3.526 30 20 BHED CC(C)CNN=C[C@H](c1ccccc1)C(C)C 1256377189 XEGLKDUNMMAHRC-HNNXBMFYSA-N 232.371 3.658 30 20 BHED CC[C@H](C=NOC(C)(C)C)c1ccccc1 1324208101 XMKUVNJPHVOCGE-GFCCVEGCSA-N 219.328 3.981 30 20 BHED C=C(C)CN[C@H](C)c1ccc(Cl)cc1 49855303 OJMIBXILIZBWCJ-SNVBAGLBSA-N 209.720 3.567 30 20 BHED CC(C)(C#N)CCN(Cc1cccs1)C1CC1 87595314 UXZWGAPSROWGAK-UHFFFAOYSA-N 248.395 3.652 30 20 BHED C=CCSCc1csc([C@@H](C)OCC)n1 122885322 YTGOWYYMWOUIRB-SECBINFHSA-N 243.397 3.660 30 20 BHED C=CCC[C@H](C)Nc1ccc(OC)c(OCC)c1 130606568 QGTWMOORVREMAX-LBPRGKRZSA-N 249.354 3.861 30 20 BHED C=CCCN[C@@H](CC)c1cccc(Cl)c1 162193822 MBEQJWIKVCPBNU-ZDUSSCGKSA-N 223.747 3.957 30 20 BHED C#CCCCC(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 192176484 ZCJKBRVJPZAAOK-CABCVRRESA-N 249.398 3.511 30 20 BHED C=CCN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 194991561 ZFMLFPFKBZTKMB-SNVBAGLBSA-N 243.272 3.884 30 20 BHED C=CCOc1ccc(Br)c(Cl)c1 238580919 JSFSSHXREIXMOQ-UHFFFAOYSA-N 247.519 3.667 30 20 BHED C=CCC(CC=C)C(=O)N1CC2(CCCCC2)C1 273729689 JVDZTUHXKYKFFA-UHFFFAOYSA-N 247.382 3.548 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1cnccc1C 293722525 NTWWZRQACRSGDV-CYBMUJFWSA-N 232.371 3.643 30 20 BHED CC[C@@H](c1ccccc1)N(CC)CCCC#N 299425644 SVCFMLPLSDADOH-HNNXBMFYSA-N 230.355 3.763 30 20 BHED C=CCCC[C@@H](C)Nc1cccc(F)c1C#N 302027426 QUYKOHKVKKXWLI-LLVKDONJSA-N 232.302 3.854 30 20 BHED CCCCCC/N=C(/N)Nc1cc(C)cc(C)c1 303704683 KIXUUBXSHADTJA-UHFFFAOYSA-N 247.386 3.610 30 20 BHED CCC[C@H](Nc1ccc(C#N)c(C)n1)C1CCC1 324953104 HLLKXPQKXFDEGS-AWEZNQCLSA-N 243.354 3.642 30 20 BHED N#CC1(CSc2cc(Cl)ccc2F)CC1 349833758 UTJMLFXYBCOXFG-UHFFFAOYSA-N 241.718 3.875 30 20 BHED C=CC(C)(C)CN[C@H](C)Cc1ccc(F)cc1 385033187 LHWMKYMRQBKLTC-GFCCVEGCSA-N 235.346 3.559 30 20 BHED C=C(C)CCNC(C1CCC1)C1CCC1 386945731 WNKQNJUDCXBCOJ-UHFFFAOYSA-N 207.361 3.511 30 20 BHED N#CC[C@@H]1CCCN(CCC2=CCCCC2)C1 397741264 HOXYUYLKNOQPOQ-HNNXBMFYSA-N 232.371 3.503 30 20 BHED C=CCCC[C@@H](C)Nc1ncnc2ccsc12 398230168 RZSJNEJMKRWYPO-SNVBAGLBSA-N 247.367 3.848 30 20 BHED Cc1cc(CNc2ccccc2F)ccc1C#N 443981264 AHHXKCIPWZWJKU-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CC[C@H](NCCC(C)C)c1ccc(C#N)cc1 447507390 HPTRENHOTRJXQC-HNNXBMFYSA-N 230.355 3.645 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@]1(C)CCC[C@H]1C 450641740 HZQWOESSVOIZCQ-VNHYZAJKSA-N 237.387 3.674 30 20 BHED C=C(CC)CNc1ccc2c(c1)CCCC2=O 453142397 ZFKDONRVLDPDMX-UHFFFAOYSA-N 229.323 3.584 30 20 BHED C=CC[C@H](C)[C@H](C)NCCCc1ccccc1F 475568641 OLZNBIRRKGYOIH-KBPBESRZSA-N 249.373 3.949 30 20 BHED CC(C)[C@@H]1C[C@H](Nc2cccc(C#N)c2)CS1 488299504 NZGYYASEJMZXGG-KBPBESRZSA-N 246.379 3.500 30 20 BHED C=CCN(C(=O)[C@@H]1CC[C@H](C)C1)c1ccccc1 538449524 CUIRBXHFNNJMKR-UONOGXRCSA-N 243.350 3.642 30 20 BHED C=C[C@@H]1CCCCN1Cc1ccc2occc2c1 583172172 WOAXHOVXSYLONQ-OAHLLOKOSA-N 241.334 3.973 30 20 BHED CO[C@@H](C)CSCCC1(C#N)CCCCC1 591388979 WJPWRHBAVZDJHM-LBPRGKRZSA-N 241.400 3.619 30 20 BHED N#Cc1ccc(CCSCCCCF)cc1 596361432 SBLRJXQKDORLGM-UHFFFAOYSA-N 237.343 3.584 30 20 BHED CC[C@@H](CNC[C@H](C)CCC#N)c1ccccc1 602503638 NOLJWWYGUDYSBU-CABCVRRESA-N 244.382 3.710 30 20 BHED C=CC[C@H]1CCCC[C@H]1N[C@@H](C)C1CC1 658028225 RFNYNZBCSOYULK-FPMFFAJLSA-N 207.361 3.509 30 20 BHED C=CCCSc1nnc(-c2ccccc2)s1 739435515 KJZWRZIYMOQZFL-UHFFFAOYSA-N 248.376 3.873 30 20 BHED CCCCCCCCCNC(=O)/C=C/SC 751563884 OVQFJKDEDBIERD-ZRDIBKRKSA-N 243.416 3.730 30 20 BHED C[C@@H]1CCC[C@H](CCON=C2CCC2)C1 756875332 WRGJDNPUTTWCBF-VXGBXAGGSA-N 209.333 3.759 30 20 BHED C#CCOc1ccc([C@@H](C)NCCCCC)cc1 764524288 PUIBGRXBAHFOQJ-CQSZACIVSA-N 245.366 3.539 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H](C)COc1ccccc1 765435015 AEOXVQWMKULJAT-RRFJBIMHSA-N 247.382 3.644 30 20 BHED C=C(C)CN(C)C(=O)NCCCCCCCC 778716630 ZZBPZFUGHYWMOL-UHFFFAOYSA-N 240.391 3.564 30 20 BHED CC(=NNCCC(C)(C)C)c1sccc1C 782902555 DJYRMIABLIKFRK-UHFFFAOYSA-N 238.400 3.806 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C1CCCCCCC1 785858661 UGKFBAZIGMCHBT-OAHLLOKOSA-N 249.398 3.914 30 20 BHED C=CCN(C(=O)/C(=C/C)CC)c1ccccc1 789616085 LFWATQHIQBCXHA-WLRTZDKTSA-N 229.323 3.562 30 20 BHED CC[C@@H](C)NN=Cc1cc2cc(C)c(C)cc2o1 790189657 QEHHIHYFILEXPT-GFCCVEGCSA-N 244.338 3.772 30 20 BHED CC(CSC(C)(C)C)=NOC/C=C/Cl 811672470 ZUVCOOHMXOEHKU-ATKGFRKTSA-N 235.780 3.663 30 20 BHED C=C(C)CON=C(C)[C@@H](C)c1ccc(OC)cc1 844618943 OPZJUFJQTRNXHN-GFCCVEGCSA-N 247.338 3.767 30 20 BHED C[C@H]1CCCCN1N=C1CCC2(CC1)CC2 853380426 UANUVHWYSGLBOH-LBPRGKRZSA-N 220.360 3.571 30 20 BHED N#Cc1cccc(CNc2ccc3occc3c2)c1 864017510 NWJBWPZCYCHPFL-UHFFFAOYSA-N 248.285 3.917 30 20 BHED CCc1ccccc1NN=Cc1ccsc1 915051839 UTULNZNPCNFTRQ-UHFFFAOYSA-N 230.336 3.757 30 20 BHED C=CCN(C(=O)N[C@H](C)CCCCC)C(C)C 918056237 PZCYBJLRZKPAMD-CYBMUJFWSA-N 240.391 3.561 30 20 BHED C=CCN(C(=O)OC(C)(C)C)c1ccccc1 38918417 AQKOOIFLANSPGE-UHFFFAOYSA-N 233.311 3.614 30 20 BHED C=CCCNc1cc(Br)ccc1C 70591685 UHZCVSOCAARZNZ-UHFFFAOYSA-N 240.144 3.746 30 20 BHED CCCCCCCNCc1csc(C)n1 103517153 JBEOEBJCUOCPMC-UHFFFAOYSA-N 226.389 3.512 30 20 BHED N#CCCCN[C@@H](c1ccc(F)cc1)C1CCC1 104704844 MKSRVOCJNTUWCE-OAHLLOKOSA-N 246.329 3.560 30 20 BHED C[C@H]1CCC[C@@H](Sc2cccnc2C#N)C1 130903646 MPXFTBQJRVOEGS-WDEREUQCSA-N 232.352 3.624 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc(C)cc1C 157266632 NGLULCAOIZQRPF-STQMWFEESA-N 203.329 3.529 30 20 BHED C=CC[C@@H](C)N[C@H](c1ccccc1)C(F)(F)F 162727002 FEBHIXBVEJNLJI-ZYHUDNBSSA-N 243.272 3.844 30 20 BHED CC(C)(C#N)CCOc1cccc(Cl)c1F 167125805 SXQYQUVFWOTGTG-UHFFFAOYSA-N 241.693 3.798 30 20 BHED C=C(C)CCNc1ccc(F)c(Cl)c1 169017123 YJZGPRVLHPLHKP-UHFFFAOYSA-N 213.683 3.857 30 20 BHED C[C@H](SCCCC#N)c1ccc(F)cc1 194418698 NKMXGSJIFWXHGF-JTQLQIEISA-N 223.316 3.924 30 20 BHED C=CC[C@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 245959978 XKPXGBLQQSLZKD-ZQDZILKHSA-N 249.398 3.674 30 20 BHED Cc1cc(F)ccc1N=Cc1ccccc1O 254819009 UBYFQUHHBRRZKO-UHFFFAOYSA-N 229.254 3.590 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1sc(C)nc1C 281460795 DUBLWKASCUBIDU-CMPLNLGQSA-N 238.400 3.765 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1cccnc1Cl 281585608 LINNLNWMGTVITB-GHMZBOCLSA-N 238.762 3.740 30 20 BHED C#C[C@@H](NCc1csc2ccccc12)C(C)C 302333049 LBPZPMYRLKAFBO-CQSZACIVSA-N 243.375 3.649 30 20 BHED C=CC[C@H](CC)NC1CCC2(CC1)CC2 309227440 WGDXDFHJMMDVLJ-LBPRGKRZSA-N 207.361 3.654 30 20 BHED C=CCCCCCCN[C@H]1CC[C@@H]1C1CC1 309393859 UYBZYCSYCQTOND-CABCVRRESA-N 221.388 3.901 30 20 BHED N#Cc1ccc(SCCCCCF)cc1 340675815 KNLDDVDUUBEJRH-UHFFFAOYSA-N 223.316 3.790 30 20 BHED C=C(CC)CN(C)[C@@H]1CC[C@@H](SCC)C1 358498758 MWGAHHXBAJSSOZ-CHWSQXEVSA-N 227.417 3.559 30 20 BHED C=CC(C)(C)CN[C@H](C)c1nc(C)sc1C 384858276 NMRDEWDPZQGAKQ-SECBINFHSA-N 238.400 3.623 30 20 BHED C=CC[C@H](C)N[C@H](CC)C1CCCCC1 390008195 XVIDVDZMLAFSRX-GXTWGEPZSA-N 209.377 3.900 30 20 BHED C=CCC[C@H](NC[C@H]1CCC[C@@H]1C)C1CC1 390673844 WLOJXMDGLCNXKP-CFVMTHIKSA-N 221.388 3.757 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1nc(C)cs1 393763942 OMUVAJMPIUMHSZ-JQWIXIFHSA-N 238.400 3.847 30 20 BHED C=CCC[C@@H](CCC)N[C@@H](C)C1(OC)CCC1 414303665 LUUAWSALFHKNFX-UONOGXRCSA-N 239.403 3.669 30 20 BHED C=CCC(C)(C)c1nc(-c2ccc(F)cc2)no1 426416056 GMCAOJHTJHLJFT-UHFFFAOYSA-N 246.285 3.729 30 20 BHED C=CCC[C@@H](CC)Nc1ccc(F)c(OC)c1 437051266 QDJDSTBLMNODMB-LLVKDONJSA-N 237.318 3.991 30 20 BHED Cc1cc(CSc2ccccn2)ccc1C#N 447289423 ZHNRZUJRZJSPDF-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=C(C)C[C@@H](C)C(=O)N1CCC2(CCCC2)CC1 466643940 ZHKSTCCPTCDINQ-CQSZACIVSA-N 249.398 3.772 30 20 BHED C=C[C@](C)(CC)C(=O)NC1C[C@@H](C)C[C@H](C)C1 467998073 JQWCTSRNNZTLRJ-SLEUVZQESA-N 237.387 3.530 30 20 BHED C=C(C)CN(C)C(=O)Nc1ccc(/C=C\C)cc1 497405994 MMDURFVFZMHABF-WAYWQWQTSA-N 244.338 3.760 30 20 BHED C=C(C)CCN[C@@H]1CCC[C@H]1c1ccccc1 510783645 ZRQSYHMQYGOPTP-JKSUJKDBSA-N 229.367 3.879 30 20 BHED C[C@@H](CCC#N)CN(Cc1cccs1)C1CC1 602439490 GXOIFIXUCGDCAS-LBPRGKRZSA-N 248.395 3.652 30 20 BHED C=C(CC)CN[C@@H](C)c1ccc(C(F)F)nc1 658032529 UFDXAOMZTMQOEH-JTQLQIEISA-N 240.297 3.636 30 20 BHED O=C1/C(=C/c2ccsc2)Oc2ccc(F)cc21 749745960 IUFWDQCECHLBPI-XGICHPGQSA-N 246.262 3.503 30 20 BHED C#CCCc1noc(C[C@H](C)CCCCCC)n1 762020875 CHDAGKLMCRFPNX-CYBMUJFWSA-N 248.370 3.784 30 20 BHED CC1CCC(=NNc2nccnc2C(C)C)CC1 773089844 BMYXDCKEGHEKLO-UHFFFAOYSA-N 246.358 3.578 30 20 BHED C#CCCCCN[C@H](C)c1cc2ccccc2[nH]1 775626099 ABHGURNGZMRDQX-CYBMUJFWSA-N 240.350 3.622 30 20 BHED CC(C)(C)CCCOC(=O)c1cccc(C#N)c1 781131159 HWTYNRVYZWULJJ-UHFFFAOYSA-N 245.322 3.541 30 20 BHED CC1(C)CCC(=NNC2CCCCC2)CC1 786043763 WSCHPZLTFWQESG-UHFFFAOYSA-N 222.376 3.865 30 20 BHED C[C@H](/N=C/c1ccccc1O)c1ccsc1 800790783 UTTYPUZNJUTJJN-CEITULEQSA-N 231.320 3.634 30 20 BHED C[C@@H]1/C(=C\c2cncs2)C(=O)c2ccccc21 809159907 ZDZNTGVUKYTGOC-CVSYOPMASA-N 241.315 3.527 30 20 BHED CC(Cc1ccc(Cl)cc1)=NOC(C)C 835002545 MMVOJWLZBDHVPF-UHFFFAOYSA-N 225.719 3.683 30 20 BHED CC1=C(C)C[C@H](C(=O)O[C@@H](C#N)C(C)(C)C)CC1 842753595 IBWPJPCIPRZACT-OLZOCXBDSA-N 249.354 3.604 30 20 BHED C=CC(C)(C)CC(=O)N1C[C@H](C)CCC[C@@H]1C 878956210 ICMJYYXJBGWNGC-OLZOCXBDSA-N 237.387 3.626 30 20 BHED CC(C)CNN=C[C@H](C)c1cccc(Cl)c1 1324808823 JJMGJPYIJRAQKY-NSHDSACASA-N 238.762 3.675 30 20 BHED COc1ccc([C@@H](C)SCC2(C#N)CC2)cc1 1458925672 ZGOPCNZMIYBZJU-LLVKDONJSA-N 247.363 3.793 30 20 BHED C[C@@H](CCC#N)CN1CCC2(CCCCC2)CC1 1621429735 IUOZWHLHLDLZLS-HNNXBMFYSA-N 248.414 3.973 30 20 BHED CCCC[C@H](CCC)CNc1ccc(C#N)cn1 1639611150 XCFRCVWXPCXOBB-ZDUSSCGKSA-N 245.370 3.972 30 20 BHED N#Cc1cccc(NCC2CCCCC2)c1 19922014 XDKCGWJBTMAFKE-UHFFFAOYSA-N 214.312 3.550 30 20 BHED Cc1ccc(F)cc1NCc1cccc(C#N)c1 19953291 OSLAJACCVYLNSM-UHFFFAOYSA-N 240.281 3.618 30 20 BHED N#Cc1ccc(NCc2ccc(Cl)s2)cc1 20053214 BRMLYGGATRSIMG-UHFFFAOYSA-N 248.738 3.885 30 20 BHED N#Cc1c(Cl)cccc1NCc1ccccc1 48935148 HFLRJZGDLVKMDT-UHFFFAOYSA-N 242.709 3.824 30 20 BHED C[C@H](C#N)Sc1c(Cl)cccc1Cl 57807173 OCJZXPSVYOLENK-ZCFIWIBFSA-N 232.135 3.998 30 20 BHED C[C@H](N[C@H](C)c1cccc(C#N)c1)C1CCCC1 70305578 DHUPDXMNSGJRPQ-QWHCGFSZSA-N 242.366 3.788 30 20 BHED Cc1ccccc1[C@@H](C)NCCCC(C)(C)C#N 87597739 YZCPDDCGDRVNOY-CQSZACIVSA-N 244.382 3.976 30 20 BHED CCN(C/C(C)=C/c1ccccc1)C[C@H](C)C#N 91983460 ABGMTNSYVHKKRV-YVGNARHYSA-N 242.366 3.571 30 20 BHED N#Cc1cccc(/C=C\C(=O)c2cccs2)c1 96939520 ZHEADEUBBULVDQ-SREVYHEPSA-N 239.299 3.516 30 20 BHED C=CC[C@H](C)NC/C(C)=C/c1ccccc1 116927377 GPDWBTXDYTWGEK-CMPYXILNSA-N 215.340 3.644 30 20 BHED C=C[C@H](C)NCc1ccc(F)c(C(F)(F)F)c1 160158254 SZTUUSDIWNFKRG-QMMMGPOBSA-N 247.235 3.509 30 20 BHED CCCc1ccc([C@H](C)NCCCCC#N)cc1 178644411 ALVWJILDOCFSCA-AWEZNQCLSA-N 244.382 3.984 30 20 BHED N#C[C@@H]1CCC[C@H](NCc2ccc(Cl)cc2)C1 185763965 GQSSGPOCFJJBKH-OCCSQVGLSA-N 248.757 3.512 30 20 BHED CCc1ccc(CSCCCC#N)cc1 190948242 ONVVDWJDPTZWLE-UHFFFAOYSA-N 219.353 3.786 30 20 BHED CC(C)(C#N)CCSC/C(Cl)=C/Cl 289366149 IZRFHXYNMMNLLA-YVMONPNESA-N 238.183 3.978 30 20 BHED C=CCC[C@H](NCc1occc1C)c1ccco1 293338571 GLBJHCNBKOOAMR-ZDUSSCGKSA-N 245.322 3.978 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(F)cc1Cl 297995162 YJMVHPQKVGENCT-UHFFFAOYSA-N 241.693 3.630 30 20 BHED C=C(C)CNc1cccc2ccsc12 307063814 PXYCFCJICMEQAR-UHFFFAOYSA-N 203.310 3.889 30 20 BHED Cc1nnccc1N=C(O)CC1(C)CCCCC1 329474482 ZXGSQTKKBUFAIZ-UHFFFAOYSA-N 247.342 3.734 30 20 BHED CC#CCCSCc1nc(C2CC2)cs1 360516062 CTVDLGMLSONNLP-UHFFFAOYSA-N 237.393 3.667 30 20 BHED N#CC1(CCN2C[C@H]3CCC[C@H]3C2)CCCCC1 411317689 OWZGRFQRRZFSFM-GASCZTMLSA-N 246.398 3.582 30 20 BHED CC(C)OC1CC(Sc2ccccc2C#N)C1 412998425 KFFAHLDMRFXLIB-UHFFFAOYSA-N 247.363 3.606 30 20 BHED N#CCCSCc1ccc(C(F)F)cc1 413015815 UPQIWKKYISRVNM-UHFFFAOYSA-N 227.279 3.771 30 20 BHED Cc1ccc2ncc(CSCCC#N)cc2c1 413016897 MRTLIRFTDVSFRC-UHFFFAOYSA-N 242.347 3.690 30 20 BHED C=CCCCSCc1cccc(F)c1C#N 427841411 PHKMITLWXJDCLV-UHFFFAOYSA-N 235.327 3.897 30 20 BHED C[C@H](c1cccc(C#N)c1)N1CCc2ccccc21 442679733 PSCQOLRBNBAELV-CYBMUJFWSA-N 248.329 3.682 30 20 BHED C=CCC[C@H](CCC)NCc1ccnc(C)c1 449401872 IYJKNHRXHDAUQL-HNNXBMFYSA-N 232.371 3.615 30 20 BHED C=CCC[C@@H](CCC)N[C@@H](C)C(C)(F)F 449416916 WFSZCAPZJSHHON-WDEREUQCSA-N 219.319 3.755 30 20 BHED C=C(C)CN(CC)CC1CCC(F)(F)CC1 459305954 MWPHPXGJHJUKEA-UHFFFAOYSA-N 231.330 3.710 30 20 BHED C=C[C@H]1CCCCN1C(=O)C[C@H](C)CC(C)C 488879771 SCIVRNHFHPOKRZ-KGLIPLIRSA-N 237.387 3.626 30 20 BHED C=C(C)CN[C@@H](c1cccc(C)c1)C(F)(F)F 510405349 BZNHLSQSAUNFSZ-LBPRGKRZSA-N 243.272 3.764 30 20 BHED CC#CCN(C)[C@H](c1ccccc1C)C(C)C 525121898 JTADPAQMUDCDJV-INIZCTEOSA-N 229.367 3.647 30 20 BHED C=C(CC)CN(Cc1cccc(F)c1)C1CC1 539094728 FLJMDLHXQVTQCA-UHFFFAOYSA-N 233.330 3.756 30 20 BHED C=CCC[C@H](NCCc1ccc(C)cc1)C1CC1 540185594 SZKIZWZAGHAJQC-KRWDZBQOSA-N 243.394 3.872 30 20 BHED C=C(C)CN=c1[nH]c(C)c(-c2ccccc2)s1 550632147 FDPNVCGOMMSNLQ-UHFFFAOYSA-N 244.363 3.528 30 20 BHED C[C@@H]1CCN(CCCCC#N)[C@@H]2CCCC[C@H]12 609047507 RDXIOAJKKMDYHY-RBSFLKMASA-N 234.387 3.581 30 20 BHED C=CCCC(C)(C)NC(=O)C1CCC=CCC1 636230467 BSBQZZIMWPFJAN-UHFFFAOYSA-N 235.371 3.594 30 20 BHED C=CC[C@H]1CCCC[C@@H]1NCC1(C(F)F)CC1 657997290 AUNNBVPGDYAVAA-RYUDHWBXSA-N 243.341 3.756 30 20 BHED CCC(CC)=NNc1cccc(C(F)(F)F)n1 739421683 MNTGZZHMMBWKMF-UHFFFAOYSA-N 245.248 3.688 30 20 BHED CCCCCCCCSc1cnccn1 746390084 RAOYHGOSJVWHAQ-UHFFFAOYSA-N 224.373 3.929 30 20 BHED C=CC[C@H](C)NC(=O)c1ccc([C@H](C)CC)cc1 755379476 QOUCWGWVMNIUTA-OLZOCXBDSA-N 245.366 3.895 30 20 BHED C=CCCCOC(=O)c1cccc(Cl)c1F 763521728 VECOIMSMAXEUKR-UHFFFAOYSA-N 242.677 3.602 30 20 BHED CC1CCC(=NNCCc2ccccc2F)CC1 764716826 LUDRRQPYPKJSHT-UHFFFAOYSA-N 248.345 3.524 30 20 BHED CC(=NOCC(F)(F)F)[C@H](C)c1ccccc1 764845370 VYFMSJOJDXOGQY-VIFPVBQESA-N 245.244 3.745 30 20 BHED C#CCCCN(C)[C@H](C)c1cc2ccccc2o1 766896456 PAXPWZBMXFDEDS-CYBMUJFWSA-N 241.334 3.839 30 20 BHED C#CCCCCCC(=O)N1C[C@@H](C)CCC[C@@H]1C 779958322 APLWQIBPLSOHBI-GJZGRUSLSA-N 249.398 3.607 30 20 BHED CC[C@H](C)CON=C1CCC[C@H]1c1ccccn1 793159070 KTNATEIYAXBTMR-STQMWFEESA-N 246.354 3.768 30 20 BHED C[C@@H]1CC[C@H](C=NNc2cc(Cl)ccn2)C1 800816026 XQYGHPXSMNCCAR-ZJUUUORDSA-N 237.734 3.569 30 20 BHED CCC(=NOC)C12CC3CC(CC(C3)C1)C2 811638088 GQKGUKWGZZOZLE-UHFFFAOYSA-N 221.344 3.615 30 20 BHED Fc1ccc(/C=C/C=NOC2CCC2)cc1F 812235650 LXAKIYTVZSGGAB-YWNVTICHSA-N 237.249 3.533 30 20 BHED C=CCC[C@@H](C)NC[C@@]1(C)CC1(Cl)Cl 824773736 NIIIDYAJTXIDSE-NXEZZACHSA-N 236.186 3.515 30 20 BHED C[C@@H]1CCCCN1N=Cc1cc2ccccc2o1 853381205 YFENAAKTNSPUAZ-GFCCVEGCSA-N 242.322 3.641 30 20 BHED Clc1cccc(NN=Cc2ccsc2)c1 916269465 QEFJUPIURRRILX-UHFFFAOYSA-N 236.727 3.848 30 20 BHED CC(=NNc1cc(C)cc(C)c1)c1ccncc1 916346556 IJGMUBKRJJZZGR-UHFFFAOYSA-N 239.322 3.535 30 20 BHED CC(C)(C)ON=C1CCCc2ccc(F)cc21 1319835958 HDGLIAGZTNAYFW-UHFFFAOYSA-N 235.302 3.681 30 20 BHED C=C(C)CCC(=O)N[C@@H](C)[C@H](C)c1ccccc1 1354480839 DCJSTNWDHRHEDM-KBPBESRZSA-N 245.366 3.651 30 20 BHED CC(C)[C@@H]1CCCCCN1CC1(CC#N)CC1 1653049035 LPICDRKHXNLNEP-AWEZNQCLSA-N 234.387 3.581 30 20 BHED Cc1cccc(/C=C/C(=O)c2cccc(O)c2)c1 8322412 DJZNLKBAXSJLKC-CMDGGOBGSA-N 238.286 3.597 30 20 BHED N#Cc1ccccc1NCc1ccc(Cl)cc1 19921335 KOXJJLVLWVPTFE-UHFFFAOYSA-N 242.709 3.824 30 20 BHED C[C@@H]1CCC[C@H]1Nc1cc(Cl)ccc1C#N 70832516 FUTDXHWHCCNHHQ-BXKDBHETSA-N 234.730 3.812 30 20 BHED C=CCN1CCC[C@@H]1c1nc2ccccc2s1 72802764 WGTULNKBRFTAEI-GFCCVEGCSA-N 244.363 3.619 30 20 BHED CCN(CCC(C)(C)C#N)c1ccccc1C 87595048 LWLJZNFPDANAEP-UHFFFAOYSA-N 230.355 3.761 30 20 BHED CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)C(C)C 121034042 KGJCIKVRBKSGET-GFCCVEGCSA-N 248.345 3.564 30 20 BHED C=C(C)CN[C@H](CC)c1cc(F)ccc1F 179803348 KDAZFPGCSIVIBR-CYBMUJFWSA-N 225.282 3.582 30 20 BHED N#CC1(COC(=O)CC2CCCCCC2)CCC1 183902508 BINQHFSGGCXKNP-UHFFFAOYSA-N 249.354 3.584 30 20 BHED C[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)CC1 246386817 NUZOXTMOOVVKDL-ZIAGYGMSSA-N 242.366 3.741 30 20 BHED C=CCC(C)(C)CNC(=O)c1ccoc1C(C)C 293865718 WIMYJYNKBDUPHT-UHFFFAOYSA-N 249.354 3.735 30 20 BHED CC[C@@H](C)CSc1nc(Cl)c(C#N)s1 308525448 ISSYJEXFBVPCHU-ZCFIWIBFSA-N 246.788 3.806 30 20 BHED Cc1csc(CNc2cccc(F)c2C#N)c1 344613122 FBGQRFORHFAJJN-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C#CCCCN(Cc1ccccc1)[C@@H](C)C1CC1 385203980 SPLGAFZNBMQTKZ-HNNXBMFYSA-N 241.378 3.701 30 20 BHED C=CCC(C)(C)C(=O)Nc1cccc(CC)c1 429851131 XCOYJUBLBWNQQY-UHFFFAOYSA-N 231.339 3.790 30 20 BHED C=CCC1(NC(=O)C[C@@H]2C=CCC2)CCCCC1 456381446 LZAZNIZDRNYNJH-CQSZACIVSA-N 247.382 3.738 30 20 BHED CC[C@@H](C)CCC(=O)Nc1cccc(CC#N)c1 456758664 VFOKTYPAIHQKNM-GFCCVEGCSA-N 244.338 3.517 30 20 BHED C=C(CC)CNC(=O)CC[C@H](C)c1ccccc1 456813273 QBRYYPSDAOMMTO-AWEZNQCLSA-N 245.366 3.653 30 20 BHED CCC(CC)(CC)CNCC(C)(C)CC#N 459725540 CVSLJNMOUDWIBH-UHFFFAOYSA-N 224.392 3.732 30 20 BHED C=CCCC1(C(=O)Nc2cc(C)ccc2C)CC1 474078239 YVNROAKLIJCCQS-UHFFFAOYSA-N 243.350 3.988 30 20 BHED C=C(C)CN1CCCC2(CCCCC2)C1 523586609 WWOBABCEFRSGTA-UHFFFAOYSA-N 207.361 3.609 30 20 BHED CC[C@H](CN(CCC#N)C(C)C)c1ccccc1 535077195 FJSQLOSHAQVTCY-OAHLLOKOSA-N 244.382 3.804 30 20 BHED CC(C)CC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@@H](C#N)C1 555460988 GREGSLVVMTWMML-QXSJWSMHSA-N 248.414 3.873 30 20 BHED CC[C@H](NCC1=CCCC1)c1ccc(C#N)cc1 595094133 DQVJAROWMXPITB-INIZCTEOSA-N 240.350 3.709 30 20 BHED C[C@@H](CCC#N)CNc1cccc2cccnc12 602519063 UYTLEZPJJVPGBQ-LBPRGKRZSA-N 239.322 3.587 30 20 BHED C=CCC(C)(C)C(=O)N[C@H](C)c1ccsc1 644805826 KDFQNUVENSBRKR-SNVBAGLBSA-N 237.368 3.528 30 20 BHED CC[C@H](CC1CCCCC1)NCC(C)(C)C#N 720990455 SLLXILMPSVGVRT-CQSZACIVSA-N 236.403 3.875 30 20 BHED C=CC[C@H](N[C@H](C)c1ccoc1)c1ccncc1 766022869 YEUOIYXUQDMBDW-DOMZBBRYSA-N 242.322 3.643 30 20 BHED CC[C@@H](C)CON=C(C)c1coc(C(C)C)n1 793144501 DANIPXYHWPFNQV-SNVBAGLBSA-N 238.331 3.585 30 20 BHED CCc1cccc(C)c1NN=C1CSC[C@H]1C 794938613 RXPWYZPNLVDOTN-LLVKDONJSA-N 248.395 3.708 30 20 BHED CC(C)[C@H]1CCCCC1=NNc1ncccc1F 794989768 CGRBXJDDUONAFU-LLVKDONJSA-N 249.333 3.835 30 20 BHED C[C@@H]1CC(C)(C)CC1=NOC/C=C/Cl 811668223 LWOORZDWUVTLKZ-OXOGZOCPSA-N 215.724 3.568 30 20 BHED Cl/C=C/CON=C(CC1CC1)c1ccccc1 811669741 TXCJMZUGEBSVNQ-IJEHECDGSA-N 249.741 3.960 30 20 BHED Cc1ccc(F)c(NN=C2CC[C@@H]2C2CC2)c1 814872294 JKCRSPUNCROLDD-LLVKDONJSA-N 232.302 3.722 30 20 BHED CCOc1ccc(NN=Cc2ccsc2)cc1 814984643 DVVTWUUGLIUTOV-UHFFFAOYSA-N 246.335 3.593 30 20 BHED C=C[C@@H](OC(=O)[C@H]1C[C@@H]1C1CC1)c1ccccc1 851451710 LAHOZWYVEYHJCH-QLFBSQMISA-N 242.318 3.503 30 20 BHED C=C[C@](C)(CC)COC(=O)C1(C)CC(F)(F)C1 873522513 ATFFSAAKZAJCJB-LLVKDONJSA-N 246.297 3.567 30 20 BHED C=CCc1ccc(OCC(=C)Cl)c(OC)c1 915666774 GENPTGOGVXGDBC-UHFFFAOYSA-N 238.714 3.555 30 20 BHED CCCNN=C1CCC(C(C)(C)C)CC1 915965747 YGLWGPDHNCCFOG-UHFFFAOYSA-N 210.365 3.578 30 20 BHED Cc1cc(C=NNc2ccc(Cl)cc2)c(C)[nH]1 917563452 KQPJYJBQZSYHKP-UHFFFAOYSA-N 247.729 3.731 30 20 BHED CC(C)CN(CCC#N)C[C@H]1CCCC[C@H]1C 1167457788 KTMIKILRUPHLAJ-HUUCEWRRSA-N 236.403 3.684 30 20 BHED C#CCCCCC(=O)NC(C)(C)C1CCCCC1 1320437674 SRJRVGXUZYWBEN-UHFFFAOYSA-N 249.398 3.655 30 20 BHED CC(C)C[C@H](C)C[C@@H](C)NCC(C)(C)CC#N 1659422053 DRJYWAOSHBCVJO-UONOGXRCSA-N 238.419 3.977 30 20 BHED Cc1ccc([C@@H](NCCCCC#N)C2CC2)cc1 91319604 AOGTVPWBNRWTEP-MRXNPFEDSA-N 242.366 3.730 30 20 BHED CC1(C)CCCC[C@H]1NCc1cc(C#N)cs1 94323957 LWYMOBKUZJOQPD-CYBMUJFWSA-N 248.395 3.678 30 20 BHED C=CCCC(=O)Oc1ccc2ccccc2c1 102212832 FUAFUJQNNDYQJX-UHFFFAOYSA-N 226.275 3.711 30 20 BHED C=CC[C@H](C)N[C@@H](C)Cc1ccc(Cl)cc1 131966689 GDZLDWHBJJJWLV-RYUDHWBXSA-N 237.774 3.825 30 20 BHED C=CCCCC(=O)NCC(C)(C)CC(C)C 175344575 CKNFZTCGUMONFU-UHFFFAOYSA-N 225.376 3.531 30 20 BHED C=C(C)CNC1(c2ccc(F)cc2F)CCC1 179994319 UBTNTHPLSFOWAI-UHFFFAOYSA-N 237.293 3.510 30 20 BHED C=CCCC[C@H](C)NC(=O)CC(CC)CC 182649708 PSSJYECNUAVUNW-LBPRGKRZSA-N 225.376 3.674 30 20 BHED C=CC[C@H](C)N[C@@H](C)[C@H](C)c1ccc(OC)cc1 246483114 RKLPIJMMTDRTBM-IHRRRGAJSA-N 247.382 3.741 30 20 BHED C=CCCSCC(=O)Nc1ccc(C)cc1C 265750414 HMKJVBZEENUGOP-UHFFFAOYSA-N 249.379 3.551 30 20 BHED Cc1cccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)c1C 274595333 GARRVQQRUQPECS-ZNMIVQPWSA-N 242.366 3.646 30 20 BHED Cc1cccnc1SCCCC(C)(C)C#N 286700942 ZXXPFCZPMOKFTH-UHFFFAOYSA-N 234.368 3.812 30 20 BHED N#Cc1nc(Oc2ccc(F)cc2)ccc1Cl 301555232 RYYVFVZJKTUIII-UHFFFAOYSA-N 248.644 3.538 30 20 BHED C=CCC(C)(C)CN[C@@H](C)CCc1ccco1 310144824 FZVBYSAFISCFNC-ZDUSSCGKSA-N 235.371 3.793 30 20 BHED Cc1ccc2c(c1)CN(CCCC(C)(C)C#N)C2 361592923 FXSAARXJDBRDIK-UHFFFAOYSA-N 242.366 3.641 30 20 BHED Cc1ncccc1OCCC1(C#N)CCCCC1 418916804 SLZIBFRCVKWOMU-UHFFFAOYSA-N 244.338 3.633 30 20 BHED CC#CCN(C(C)C)[C@@H](C)c1ccsc1 421011802 PLYWVAAVMXVHQE-LBPRGKRZSA-N 221.369 3.543 30 20 BHED C=CCCCCCN(C)C(=O)C(C)(C)C(=C)C 424683962 NIBNOEKEXMASAG-UHFFFAOYSA-N 237.387 3.794 30 20 BHED C=C1CCN(CCSCc2ccccc2)CC1 430740964 RIJLKBFVNAUGFR-UHFFFAOYSA-N 247.407 3.572 30 20 BHED C=CCOc1cccc(CN[C@@H]2CC[C@@H](C)C2)c1 436415226 WSAFPGFKCUYCON-UKRRQHHQSA-N 245.366 3.530 30 20 BHED C[C@H](CCN[C@H]1CC[C@@H](C#N)C1)CC(C)(C)C 442864533 CWNZPECIOBPXEV-MCIONIFRSA-N 236.403 3.731 30 20 BHED C=CC(C)(C)CNC(=O)[C@](C)(CC)CCC 452774979 NAZACJQBARFFBB-CQSZACIVSA-N 225.376 3.531 30 20 BHED C=CCCCC(=O)NC1(CC=C)CCCCC1 456363037 HYSHZYKYKCDUNH-UHFFFAOYSA-N 235.371 3.738 30 20 BHED C=CCN(C(=O)[C@H](C)[C@H](C)CC)c1ccccc1 502681709 SZGMIKMMRKOYHA-ZIAGYGMSSA-N 245.366 3.888 30 20 BHED C=C(C)CCSCc1ccccc1OC 505569779 BEDFTBWHHKXTKS-UHFFFAOYSA-N 222.353 3.895 30 20 BHED C=C(C)CCc1noc([C@H](C)c2ccccc2)n1 508669625 DLKZORMGDYTSHI-GFCCVEGCSA-N 242.322 3.730 30 20 BHED C=CCCC(=O)Nc1ccc(OC(C)C)cc1C 522569242 HRIGSPFOASBKFU-UHFFFAOYSA-N 247.338 3.687 30 20 BHED C=CCCN(C)[C@H](C)c1ccccc1Cl 524811407 HYABETXZBPPBFY-LLVKDONJSA-N 223.747 3.909 30 20 BHED C=CCC(CC=C)c1nc([C@H]2CC[C@H](C)O2)no1 528228395 BORFHXJKTAQPGM-CMPLNLGQSA-N 248.326 3.545 30 20 BHED C=C(C)COc1ccc(C(F)(F)F)cc1 560218542 WLFDFYKUKSURLG-UHFFFAOYSA-N 216.202 3.660 30 20 BHED CCOc1cc(C)ccc1NC[C@H](C)CCC#N 602492327 PLMDJJXOUPWSCF-CYBMUJFWSA-N 246.354 3.746 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H]1CCC(C)=C(C)C1 620864935 URXAIQCJLJLKRM-CQSZACIVSA-N 249.398 3.984 30 20 BHED C=C(C)CN(C)[C@@H](C)c1cc(C)ccc1C 621281342 BRQHYIIZJZBPDB-AWEZNQCLSA-N 217.356 3.872 30 20 BHED C=CCC(CC=C)C(=O)N(C)CCC(C)(C)C 648543898 BLZQJWQVYXZCNI-UHFFFAOYSA-N 237.387 3.649 30 20 BHED C=C(C)CCN(CCC)Cc1ccc(OC)cc1 681400431 JDAUIAYNXXFYEF-UHFFFAOYSA-N 247.382 3.873 30 20 BHED CCCCCCCC(=O)N[C@H]1CCC[C@@H]1C 729447167 BTPOOSVBVAWORA-STQMWFEESA-N 225.376 3.652 30 20 BHED CCCCCCCCNC(=O)CC(C)(C)C 754849216 GZBVLWSJNIOEKO-UHFFFAOYSA-N 227.392 3.899 30 20 BHED CC(CC1CC1)=NNc1cc(C)cc(C)c1 756823926 OQZMYNUDGPWWEH-UHFFFAOYSA-N 216.328 3.891 30 20 BHED CCOCCON=C/C=C(/C)CCC=C(C)C 774434014 CKMPAUIKNWOZQV-FINTXESZSA-N 239.359 3.718 30 20 BHED C#C[C@H](C)N(C)Cc1csc(Cl)c1Cl 775183439 MDKKTACRQVAYCP-ZETCQYMHSA-N 248.178 3.508 30 20 BHED CCCC(CC)=NNc1cnc2ccccc2n1 776181207 UNJBRQVZWQHZKP-UHFFFAOYSA-N 242.326 3.608 30 20 BHED N#Cc1ccccc1OCc1ccc(CF)cc1 777532470 UDGIHPQSTMRJFZ-UHFFFAOYSA-N 241.265 3.607 30 20 BHED C#CCCCCCC(=O)N[C@H](C)C[C@H](C)CC 779921901 DUGIFFFXRRWXHQ-ZIAGYGMSSA-N 237.387 3.511 30 20 BHED C[C@H](NN=Cc1cccc(Cl)c1)C(C)(C)C 793115933 UNQISIJJWWNKIT-JTQLQIEISA-N 238.762 3.698 30 20 BHED C=CCOC(=O)c1sccc1-c1ccccc1 807298438 FCCVJGMASSDHAE-UHFFFAOYSA-N 244.315 3.758 30 20 BHED C#C[C@H](N[C@@H](C)CCc1ccsc1)C(C)(C)C 809781248 LDCSROVEWQCFOF-JSGCOSHPSA-N 249.423 3.707 30 20 BHED C[C@@H](C=NOC/C=C/Cl)c1ccccc1 811669066 BLBNZKROHBNBJF-QODHRMTHSA-N 223.703 3.545 30 20 BHED CC(=NOC/C=C/Cl)c1sccc1C 811669093 BPQMDWXELADQAV-NQCNLDHGSA-N 229.732 3.550 30 20 BHED C[C@H]1CCC(=NN[C@@H]2CCCCC2(C)C)C1 814916471 ATNNIWYFEHHXIZ-WCQYABFASA-N 222.376 3.721 30 20 BHED CC[C@@H](C)CCC(=O)O[C@@H](C)CC(C)(C)C#N 851204531 RMSQPHXPRMBNIM-NEPJUHHUSA-N 239.359 3.684 30 20 BHED CC(=NOCC1CCC1)c1sccc1C 853439388 IIYBFNAPZAIWOP-UHFFFAOYSA-N 223.341 3.597 30 20 BHED CC[C@H]1CCCC1=NNc1ccc([N+](=O)[O-])cc1 916661283 RNXWMOYCKQLEEV-JTQLQIEISA-N 247.298 3.573 30 20 BHED CCCCCCCOC(=O)c1scnc1C 919163839 OITPEYXERROPCW-UHFFFAOYSA-N 241.356 3.579 30 20 BHED CC[C@H](NCCC(C)(C)C#N)c1ccc(F)cc1 1320161259 XHZBKAOVZYROGK-AWEZNQCLSA-N 248.345 3.806 30 20 BHED C[C@H](CCC#N)CN1CCC2(CCCCC2)CC1 1621429736 IUOZWHLHLDLZLS-OAHLLOKOSA-N 248.414 3.973 30 20 BHED C#Cc1cccc(NC(=O)c2cc(C)ccc2C)c1 25157869 IIQPYWKLXVMSPU-UHFFFAOYSA-N 249.313 3.537 30 20 BHED C=C(C)CN(C)[C@@H](C)c1ccc(Cl)cc1 45007534 CDZHHHIMSZYNQY-NSHDSACASA-N 223.747 3.909 30 20 BHED C=C(CC)CN[C@@H](C)c1ccccc1Cl 85057964 JOIAPPDFKRBSQN-NSHDSACASA-N 223.747 3.957 30 20 BHED CC1CCC(Nc2ccc(Cl)c(C#N)n2)CC1 110079917 QIGYOXJADOQLIP-UHFFFAOYSA-N 249.745 3.597 30 20 BHED CC[C@H](CC#N)NC1CC(C)(C)CC(C)(C)C1 124798836 YDXIGABKKAIMAO-GFCCVEGCSA-N 236.403 3.873 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cccc(F)c1F 133646047 OJOMUYZTPPENJG-ZJUUUORDSA-N 225.282 3.580 30 20 BHED CC#CCCN[C@@H]1CCCC[C@H]1c1ccccc1 158350503 HJTLVFUEBHZWCV-DLBZAZTESA-N 241.378 3.716 30 20 BHED C=CCCC[C@H](C)NC(=O)N(CCC)CCC 181424194 CEASOZCLWUCFGC-ZDUSSCGKSA-N 240.391 3.563 30 20 BHED C[C@@H](Oc1ccccc1F)c1cccc(C#N)c1 190086168 DXXLPXOMQCSRHZ-LLVKDONJSA-N 241.265 3.837 30 20 BHED COCCCCS[C@@H](C)c1ccc(C#N)cc1 284988128 GCUIFGXJNOVVLK-LBPRGKRZSA-N 249.379 3.779 30 20 BHED C=C[C@H](C)Nc1ncc(-c2ccccc2)s1 301611926 RXMXSUWBXHDBBA-JTQLQIEISA-N 230.336 3.797 30 20 BHED C=CCCCCNCc1ccc(CC)s1 309039456 ISLMQIKIMWHLHK-UHFFFAOYSA-N 223.385 3.756 30 20 BHED C=CC[C@@H](C)[C@@H](C)NC1CCC(F)(F)CC1 309797028 VPTFKPLZTHXYRQ-GHMZBOCLSA-N 231.330 3.755 30 20 BHED CCCCCCCNCc1cnc(CC)s1 310007214 HDFXUVKMHUUHPS-UHFFFAOYSA-N 240.416 3.766 30 20 BHED C=CCC(C)(C)CN[C@@H](C)C1CCCC1 310460743 FEPDAWYJENHLMK-LBPRGKRZSA-N 209.377 3.757 30 20 BHED C[C@H]1CCCC[C@H]1Nc1cccc(CC#N)c1 313421849 CKTXNNHVYVTFQZ-SWLSCSKDSA-N 228.339 3.743 30 20 BHED Cc1ccc(C)c([C@H](C)NCCCCC#N)c1 338731515 BAWMVRFUOZTEBD-AWEZNQCLSA-N 230.355 3.648 30 20 BHED CC(C)[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 341761242 OXMCDQLGLANDFU-MLGOLLRUSA-N 242.366 3.570 30 20 BHED C=CCCCNc1ccccc1-n1nccc1C 342550240 AASMUDDXSSEOOD-UHFFFAOYSA-N 241.338 3.559 30 20 BHED C=CCN(C(=O)CC1(C)CCCCC1)C1CC1 357515167 YIIXLNLPKOCOGU-UHFFFAOYSA-N 235.371 3.524 30 20 BHED C=CCN[C@H](c1ccc(Cl)cc1F)C(C)C 381513383 RSZPUVNQQKQCIA-ZDUSSCGKSA-N 241.737 3.952 30 20 BHED C=CCOCCSC/C=C/c1ccccc1 419342300 CDCIUQNXKGJWDF-RMKNXTFCSA-N 234.364 3.636 30 20 BHED CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)C1CCCCC1 424326499 LWFVGLAPSJYNOS-NWANDNLSSA-N 234.387 3.627 30 20 BHED C=C[C@H]1CCCCN1Cc1ccc(OC)c(C)c1 426572693 FZUZKZCBHSNJIX-HNNXBMFYSA-N 245.366 3.544 30 20 BHED CC[C@@H](C#N)S[C@@H](C)c1ccc(F)cc1 436053476 UCACKZLGTFXDBS-CABZTGNLSA-N 223.316 3.922 30 20 BHED C=CCC[C@H](CCC)NCc1cnccc1C 449525234 QWLSZTOBYDZPFQ-HNNXBMFYSA-N 232.371 3.615 30 20 BHED C=C(C)CCNC(=O)[C@H](CCC)CC(C)C 452742902 SCANQRKJDGUBCL-CYBMUJFWSA-N 225.376 3.531 30 20 BHED CC[C@]1(C(C)C)C[C@H]1NCc1cc(C#N)cs1 453602939 AGHAJNXKHQKVQS-ZIAGYGMSSA-N 248.395 3.534 30 20 BHED C=CCC1(CNC(=O)C(C)(C)C2CC2)CCCC1 456505684 MIAMUYJNGFNRIM-UHFFFAOYSA-N 249.398 3.675 30 20 BHED N#Cc1cccc(Cl)c1NC[C@@H]1CC=CCC1 462370749 RJDRCMRSMKDPJS-LLVKDONJSA-N 246.741 3.980 30 20 BHED CC#CCSCc1ncc(Cl)cc1Cl 464090866 FLSLBOIJXSWVKW-UHFFFAOYSA-N 246.162 3.645 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCC(C)(C)C1 464499226 SGKJTNKUJMCQFE-IUODEOHRSA-N 237.387 3.626 30 20 BHED C=CCCCC(=O)N(CC=C)CC1CCCCC1 479634520 INMNXBHXXYJAJQ-UHFFFAOYSA-N 249.398 3.938 30 20 BHED C=C(C)CN1C[C@H](c2ccc(C)cc2)C[C@@H]1C 490065651 KMVPJTFJQHCINO-GOEBONIOSA-N 229.367 3.749 30 20 BHED C[C@H]1CC[C@H](Nc2ncc(C#N)cc2Cl)CC1 517454693 CZCCSJQGFLEYSO-HOMQSWHASA-N 249.745 3.597 30 20 BHED C=CCCCC(=O)N1CCCC[C@@H]1[C@H](C)CC 530885465 NPCKEOAUIWVUCI-ZIAGYGMSSA-N 237.387 3.770 30 20 BHED C=C(C)CNC(=O)c1cc2cc(C)ccc2s1 555066070 DPRLUJCBYWGQIR-UHFFFAOYSA-N 245.347 3.516 30 20 BHED C=CCCCCSCCCn1ccnc1C 568858110 HVBMHZVKSDVGIE-UHFFFAOYSA-N 238.400 3.671 30 20 BHED C=CCCc1nc([C@@H]2CCCC[C@H]2CC)no1 580729302 YQRJLSBACAIRBY-VXGBXAGGSA-N 234.343 3.872 30 20 BHED C=CCCN1CC[C@H](c2ccccc2)[C@H](C)C1 607751999 BTVMLKZLAOYXOF-ZBFHGGJFSA-N 229.367 3.688 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C[C@H]2CC[C@H](C)C2)C1 617783262 WVTINCRCFKEURK-ZNMIVQPWSA-N 249.398 3.627 30 20 BHED C=CCN(C(=O)[C@@H](C)c1ccccc1)C(C)(C)C 622945103 RWHIFMVNLPMKRB-ZDUSSCGKSA-N 245.366 3.603 30 20 BHED C=C(CNC[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 674718142 YQHLJHQHFXRUNW-XIRDDKMYSA-N 239.362 3.502 30 20 BHED COc1cc(C)ccc1N[C@@H](C)CC(C)(C)C#N 695838778 ZMYVFOYSPCDJRN-LBPRGKRZSA-N 246.354 3.744 30 20 BHED C=C(Cl)CN(Cc1ccc(F)cc1)C(C)C 746651758 JZKWHSYIKXEZTK-UHFFFAOYSA-N 241.737 3.789 30 20 BHED CCCC(CC)=NNc1ccc(F)cc1OC 761885261 PMFNHHUVBVKJEJ-UHFFFAOYSA-N 238.306 3.812 30 20 BHED C#CCCCN(Cc1ccccc1)C(C)(C)C 766906622 SKDSSCQEESVZJL-UHFFFAOYSA-N 229.367 3.701 30 20 BHED CCC(C)(C)C(=O)OCCCCC(C)(C)C#N 768669762 MCMALGYBIKINID-UHFFFAOYSA-N 239.359 3.686 30 20 BHED Cc1ccc(/C=C\C(=O)c2occc2C)cc1F 769783199 ADEPDNLNXAZRAC-WAYWQWQTSA-N 244.265 3.932 30 20 BHED CCC(C)=NNc1c(F)cccc1Cl 769831195 WNLKYSMVFLWEFZ-UHFFFAOYSA-N 214.671 3.677 30 20 BHED C=C(CC)COC(=O)c1ccc(Cl)s1 773422861 BDILOPSHQLZLOW-UHFFFAOYSA-N 230.716 3.525 30 20 BHED C=C(C)CCNc1ccc(OCC(F)F)cc1 809189074 UQYVLPQDMGGSIF-UHFFFAOYSA-N 241.281 3.709 30 20 BHED C=CCCCCCCCN[C@H](C)c1nccn1C 810243980 WJSJMXNPDFFVRR-CQSZACIVSA-N 249.402 3.597 30 20 BHED Cl/C=C/CON=Cc1coc2ccccc12 811669231 YHTDWOTWSAORNU-LKDBHZJCSA-N 235.670 3.536 30 20 BHED C/C(=C\Cl)CSCC1(C#N)CCC1 829539116 MAWPZSZXTBMMEH-WEVVVXLNSA-N 215.749 3.556 30 20 BHED C=CCCCCC(C)=NNc1nc(C)cc(C)n1 834912585 PEIUXJFKFMVEEN-UHFFFAOYSA-N 246.358 3.628 30 20 BHED CCCON=C[C@@H]1CCC[C@H](C(F)(F)F)C1 853368076 BCKIGRGUCJGOKW-ZJUUUORDSA-N 237.265 3.768 30 20 BHED CSc1ccc(C=NN2CCCC[C@H]2C)cc1 853378569 HIXLGUSXSSDAKD-GFCCVEGCSA-N 248.395 3.617 30 20 BHED C[C@H](CN(C)[C@@H]1CC[C@H](C#N)C1)C1CCCCC1 1196818127 GMWXYQOEUXSVTK-IJEWVQPXSA-N 248.414 3.827 30 20 BHED C=CC(C)(C)CNC(=O)CCCCCCC 1324679765 YBPOOCZTWUUBHY-UHFFFAOYSA-N 225.376 3.675 30 20 BHED CCC[C@H](CC)N[C@H](C)c1cccc(C#N)c1 50402407 QFIZYMOMYIOTFC-DOMZBBRYSA-N 230.355 3.788 30 20 BHED Cc1ccc([C@@H](C)NCCCC(C)(C)C#N)cc1 87597803 ROCQFLSJMTVIQT-CQSZACIVSA-N 244.382 3.976 30 20 BHED Cc1nsc(NC[C@@H]2CCCC[C@H]2C)c1C#N 92912436 FADNIZXINXXMNL-KOLCDFICSA-N 249.383 3.561 30 20 BHED C=CCCCS[C@@H](C)c1nc(C(C)C)no1 117943616 ZQEYSBYUENMSTA-JTQLQIEISA-N 240.372 3.953 30 20 BHED CSc1ccc(NCC(C)(C)CCC#N)cn1 119352499 HGKSVYUJUYPMLT-UHFFFAOYSA-N 249.383 3.545 30 20 BHED C#CCCCCC(=O)NCC(C)(C)C1CCCC1 120049125 SNMMZAQQLVVSEM-UHFFFAOYSA-N 249.398 3.513 30 20 BHED C=CCC[C@@H](CC)N[C@@H](C)CC(C)(C)OC 122038868 INQHGAPZPLTSGD-QWHCGFSZSA-N 227.392 3.524 30 20 BHED CCCCCCCCN1[C@H]2CC[C@H]1CC(=O)C2 147358286 HHDYBCJDNZPFIF-KBPBESRZSA-N 237.387 3.543 30 20 BHED CC#CCCN1CCC[C@@H]1c1cccc(C)c1 155180327 WRSFCIISGVWGJP-MRXNPFEDSA-N 227.351 3.545 30 20 BHED C=CC[C@@H](C)N[C@H]1CCc2cc(Cl)ccc21 161649991 PWABDGOOLCNGDI-YGRLFVJLSA-N 235.758 3.882 30 20 BHED C=C(C)CCNCC(C)(C)c1ccccc1 168963200 JPUSFOFWYYCMGB-UHFFFAOYSA-N 217.356 3.520 30 20 BHED C=CCCCC(=O)N(C)C1CCCCCC1 177516567 WAWBQVDQHQOJKS-UHFFFAOYSA-N 223.360 3.524 30 20 BHED N#C[C@H]1CCC[C@@H](Nc2ccccc2Cl)C1 185734968 LPURGCUOVGDLDX-WDEREUQCSA-N 234.730 3.834 30 20 BHED N#Cc1ccc(/C=C/c2cc3ccccc3o2)nc1 195175047 JDDRTOZBDWXHQZ-BQYQJAHWSA-N 246.269 3.870 30 20 BHED C[C@@H]1CCC[C@H]1CNc1cccc(F)c1C#N 230684165 XIGSUIGYSJFSAH-MNOVXSKESA-N 232.302 3.545 30 20 BHED CC1(C)CCC[C@@H]1Nc1nccc(C#N)c1Cl 232779627 VJQHBCTTYSUACG-JTQLQIEISA-N 249.745 3.597 30 20 BHED Cc1occc1CN(C)CCCCC(C)(C)C#N 234272892 MYVAFNHHTLPQFK-UHFFFAOYSA-N 248.370 3.740 30 20 BHED C[C@@H]1CN(CCCC(C)(C)C#N)[C@@H]2CCCC[C@H]12 248420818 LZZOMSZWIHZJAV-RBSFLKMASA-N 248.414 3.827 30 20 BHED C[C@H]1C[C@@H](C)C[C@H](Nc2ccc(C#N)cc2)C1 252133852 MHOXZKSCZWFFLF-JYAVWHMHSA-N 228.339 3.795 30 20 BHED Cc1ccc(F)cc1N=Cc1ccccc1O 254820988 OVZMWSIICVLEAM-UHFFFAOYSA-N 229.254 3.590 30 20 BHED C=CCCC[C@@H](C)Nc1nc(C(C)C)ns1 302032637 SPJDOKZXFILZCL-SNVBAGLBSA-N 239.388 3.818 30 20 BHED CC(C)(C#N)CCN1CCCCCCCC1 322004199 YJYWURAZMUVNOQ-UHFFFAOYSA-N 222.376 3.582 30 20 BHED C=CCC[C@@H](NCC1(C)CC1)c1ccco1 336746610 RNWZXPIWCCPJAG-GFCCVEGCSA-N 219.328 3.677 30 20 BHED C=C(C)CSCC(=O)Nc1c(C)cccc1C 357027380 LGQWQYCKIBGALX-UHFFFAOYSA-N 249.379 3.551 30 20 BHED C=CCC(C)(C)CN[C@H]1CCc2ccccc21 379844286 HUBJMQQABDBYSM-HNNXBMFYSA-N 229.367 3.866 30 20 BHED CC#CCCSCc1cccc(C(C)=O)c1 419507790 PXBFXFGZDVQXCU-UHFFFAOYSA-N 232.348 3.536 30 20 BHED C[C@@H](CC1CCCCC1)N[C@H]1CC[C@H](C#N)C1 442861055 MCYNYCNKUQIKDM-QEJZJMRPSA-N 234.387 3.627 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@H](C)CCC=C(C)C 452540606 JUONBJLDLQMJGP-HIFRSBDPSA-N 237.387 3.840 30 20 BHED N#Cc1cccc(NC[C@@H]2C[C@H]2c2ccccc2)c1 461764346 JJLQDPPIVHIBGG-RDJZCZTQSA-N 248.329 3.774 30 20 BHED C=CCc1ccccc1OCCCSC 462558266 XIYZZWXBDXLKCM-UHFFFAOYSA-N 222.353 3.547 30 20 BHED CC(C)(C#N)CCCSc1ccc(C#N)cc1 476489133 ZUPMWJVGEDPQLY-UHFFFAOYSA-N 244.363 3.980 30 20 BHED C=CCCCCCN(C)C(=O)C1(CC=C)CCC1 479983087 DYXXVUVHYPBZRH-UHFFFAOYSA-N 249.398 3.938 30 20 BHED C=C(CC)CSCCOc1ccccc1C#N 536882055 QTFDRERVXHGTCG-UHFFFAOYSA-N 247.363 3.636 30 20 BHED N#Cc1ccc(-c2cnc(C(F)F)s2)s1 536955213 PJWVBJDSPGECDR-UHFFFAOYSA-N 242.275 3.681 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@@H]1CC12CCCCC2 539432515 ADBHIDUTOKGEJX-KGLIPLIRSA-N 249.398 3.818 30 20 BHED CC#CCCNC(=O)[C@H](CC)CC1CCCCC1 542671587 AFGBBARZFDODTF-OAHLLOKOSA-N 249.398 3.513 30 20 BHED CN(C[C@H]1CCCC(C)(C)C1)CC(C)(C)C#N 560569713 QFCGUJSAWUOEBI-ZDUSSCGKSA-N 236.403 3.684 30 20 BHED C=CCCCc1nc(-c2cc(C)cc(F)c2)no1 566533749 AQKMLEIVEIKDLD-UHFFFAOYSA-N 246.285 3.693 30 20 BHED CC(C)CC[C@H](C)NCCc1ccc(C#N)cc1 595062985 YPWNSRWHNPEYKS-AWEZNQCLSA-N 244.382 3.515 30 20 BHED C=CCC1(NCc2ccc(C)o2)CCCC1 657702905 PWVOVBMUAAZSFG-UHFFFAOYSA-N 219.328 3.567 30 20 BHED C=CC[C@H]1CCCC[C@H]1NCCc1ccco1 657818299 BJQGYCXAHDYJKJ-DZGCQCFKSA-N 233.355 3.547 30 20 BHED C=CCCC[C@H](C)Nc1cc(C(F)F)ncn1 724630448 XVDDZBKXYCXULZ-VIFPVBQESA-N 241.285 3.571 30 20 BHED C=CCCCOC(=O)c1cccc(C(C)C)c1N 735532558 OIJBKAYKPJSENK-UHFFFAOYSA-N 247.338 3.515 30 20 BHED O=C(/C=C/c1ccccc1C1CC1)c1cccnc1 751029274 BHGBURFHAAGEDT-MDZDMXLPSA-N 249.313 3.855 30 20 BHED CC[C@H](C)ON=C(c1ccccc1)C(F)(F)F 751956056 MXJMTBMYQXHVIR-VIFPVBQESA-N 245.244 3.768 30 20 BHED FC(F)CON=Cc1cc2ccccc2s1 758903938 QGKRQCKVIWZXNQ-UHFFFAOYSA-N 241.262 3.517 30 20 BHED Cc1cc(C=NOC2CCCCC2)ccc1C#N 766477854 KEAUOFIPLBPNSM-UHFFFAOYSA-N 242.322 3.550 30 20 BHED Cc1ccc(F)c(/C=C/C(=O)c2occc2C)c1 769784405 ULPCXJPUCIBXOG-GQCTYLIASA-N 244.265 3.932 30 20 BHED C=C(CC)COC(=O)[C@@H](c1ccccc1)C1CC1 773545130 IIXOCPNGZWVUGG-HNNXBMFYSA-N 244.334 3.690 30 20 BHED C=C[C@@H]1CCCCN1C(=O)/C=C(\C)C(C)(C)C 785856503 IEMAEAQBBYYOPM-XZHRJIJLSA-N 235.371 3.546 30 20 BHED C[C@H](C=NOCC(F)(F)F)C1CCCCC1 814881543 YWRDKZLZPIKUEQ-SECBINFHSA-N 237.265 3.768 30 20 BHED CCCCCC=NNc1ccnc(Cl)c1 853395188 OHPPYBDKKMKXAO-UHFFFAOYSA-N 225.723 3.713 30 20 BHED CC[C@@H](NCC1(C#N)CCC1)c1cccc(F)c1 903032850 LNQKXMMGJJRMQZ-CQSZACIVSA-N 246.329 3.560 30 20 BHED C[C@H]1CCCCC1=NN[C@@H](C)c1ccccc1 920385447 CWZXXKAOMSVLJJ-STQMWFEESA-N 230.355 3.903 30 20 BHED Cc1ccc(NN=C[C@H](C#N)C(C)C)cc1Cl 1322871329 FFNMIKVLMDDGML-NSHDSACASA-N 249.745 3.842 30 20 BHED N#Cc1ccnc(/C=C\c2ccc(Cl)cc2)c1 1344338748 QZOZXYKCCIMKIA-UTCJRWHESA-N 240.693 3.777 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)C1CCC(=C)CC1 1514859613 TWADNJGYYUSCQQ-OAHLLOKOSA-N 247.382 3.690 30 20 BHED CC(C)CCC[C@H](C)NCc1ccc(C#N)cc1 20545967 LGVBOKYRPAIGPA-AWEZNQCLSA-N 244.382 3.863 30 20 BHED CC[C@@H](CC#N)N[C@H](C)CCc1cccc(C)c1 54184003 LMAWIAISEKHFDX-ZBFHGGJFSA-N 244.382 3.598 30 20 BHED N#CCCCSc1cccc(Cl)c1 54185504 RIFQCZVLKZBFIC-UHFFFAOYSA-N 211.717 3.736 30 20 BHED Cc1ccccc1CSc1ccnc(C#N)c1 61815556 IBHAAQFYGJOTPZ-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C[C@@H](Nc1ccc(F)cc1C#N)c1ccccc1 71550095 PDWOHLLIPWKYAZ-LLVKDONJSA-N 240.281 3.870 30 20 BHED CC[C@H]1CCC[C@H](NCc2cccc(C#N)c2)C1 83640188 FQVXAWDRGZQDIP-BBRMVZONSA-N 242.366 3.617 30 20 BHED CC(C)CC(C)(C)C(=O)Nc1cccc(C#N)c1 84514970 LEWJUGSEHXPJSA-UHFFFAOYSA-N 244.338 3.569 30 20 BHED C=CC[C@H](C)NC(=O)C[C@@H](CC)CCCC 117261901 VFMVZJZZSFVCSA-STQMWFEESA-N 225.376 3.674 30 20 BHED CC1(C)CC(NCCCCC#N)CC(C)(C)C1 125546782 CPSXVJGVHVOFLI-UHFFFAOYSA-N 236.403 3.875 30 20 BHED Cc1occc1SCCC(C)(C)C#N 131571330 YPOOSMALOPFRAV-UHFFFAOYSA-N 209.314 3.620 30 20 BHED CCCC[C@@H](CCC)NCc1ccc(C#N)o1 176991016 FYLPCLJPNRHRCF-GFCCVEGCSA-N 234.343 3.600 30 20 BHED C[C@@H](CCC#N)Sc1ccc(F)cc1 188187294 JFWRCDXVSSOHAV-VIFPVBQESA-N 209.289 3.610 30 20 BHED N#Cc1ccnc(NCCC2=CCCC2)c1Cl 228667731 IPLYJMCLNXTAHK-UHFFFAOYSA-N 247.729 3.519 30 20 BHED C[C@H](NCC(C)(C)CCC#N)c1cccc(F)c1 229671942 KSUUXDCMMWOJIX-LBPRGKRZSA-N 248.345 3.806 30 20 BHED C=C(CNCC1(SC)CCC1)c1ccccc1 235222374 XJQXIBFMTGLNIH-UHFFFAOYSA-N 247.407 3.575 30 20 BHED C(=NNc1ccccc1)c1c[nH]c2ccccc12 254398571 LADNGZSBOPPVGS-UHFFFAOYSA-N 235.290 3.614 30 20 BHED Cc1ccoc1C(=O)/C=C\c1cc(F)ccc1F 255395264 CLGXNLAVTFUCAE-DJWKRKHSSA-N 248.228 3.762 30 20 BHED C=CC[C@H](C)N[C@H](CC)c1ccc(F)cc1O 286105168 MTFVHUOMDUYFOV-GXFFZTMASA-N 237.318 3.537 30 20 BHED C=CCCCNc1c(C)cccc1CC 303936386 XVVRULFXCWLEAN-UHFFFAOYSA-N 203.329 3.936 30 20 BHED C/C(=C\Cl)C[C@@]1(C=O)CCC[C@H]1C 307539917 ZNYICGVNIYBVOY-JKWVPGAPSA-N 200.709 3.524 30 20 BHED C=C(Br)CN1CCCC[C@H]1CCC 308258459 LDTZJNNHKVBAQN-LLVKDONJSA-N 246.192 3.550 30 20 BHED CCC[C@H]1CCCC[C@@H]1NCCCCC#N 310012989 JKJZGARJKAZFGL-KBPBESRZSA-N 222.376 3.629 30 20 BHED C=CCCCCNCc1ccc([C@@H]2C[C@@H]2C)o1 310179163 NABGHQFHUOLIRL-GXTWGEPZSA-N 233.355 3.849 30 20 BHED C=CCCC[C@@H](C)N[C@@H](CC)c1nccs1 336749367 YUNCGQIKHFDOSS-NEPJUHHUSA-N 238.400 3.929 30 20 BHED C=CCC[C@H](NC[C@H]1CC[C@H](C)C1)C1CC1 381308761 MCPIZVILSGSAGR-YDHLFZDLSA-N 221.388 3.757 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H](C1CC1)C(F)(F)F 381444237 FLBPQAPFJUMNFS-QXEWZRGKSA-N 235.293 3.518 30 20 BHED C=CCC[C@H](C)NC[C@@H]1CCCCC1(F)F 390563422 MYVRFHJRQCIBFF-RYUDHWBXSA-N 231.330 3.756 30 20 BHED C=CCCCCN[C@H](C)c1cccc(F)c1 390565220 LLHCSBHCMASUSC-GFCCVEGCSA-N 221.319 3.833 30 20 BHED C=CC[C@H](CC)N[C@@H](C)Cc1ccccc1F 393793973 NUXSOQCKHAUNFR-JSGCOSHPSA-N 235.346 3.701 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)c1cc(C)cc(C)c1 424603471 XFXUUYKFXPZRSO-UHFFFAOYSA-N 245.366 3.869 30 20 BHED N#C[C@@H]1CC[C@H](NCCCCC2CCCC2)C1 442769733 QOORJHBTZGSCBC-CABCVRRESA-N 234.387 3.629 30 20 BHED C=CCC1(C(=O)N2CCCCCC2)CCCCC1 448554145 FRJWHHFNXGFXNQ-UHFFFAOYSA-N 249.398 3.916 30 20 BHED C=CCCCC[C@H](C)NC[C@](C)(OC)C1CC1 449336046 LQONIMPHBRDIIE-ZFWWWQNUSA-N 239.403 3.526 30 20 BHED N#Cc1cccnc1Nc1cccc(C2CCC2)c1 461870763 JFZNXZIKAWRMGK-UHFFFAOYSA-N 249.317 3.964 30 20 BHED C=C(C)CN[C@H]1CCC[C@@H]1Cc1ccccc1 493442784 OXAIDISIUYJSBX-CVEARBPZSA-N 229.367 3.564 30 20 BHED C=CCN(Cc1ccc(CC#N)cc1)C(C)(C)C 595764901 GRRCIGBMMOSKAF-UHFFFAOYSA-N 242.366 3.539 30 20 BHED C=CCN(Cc1cccs1)C[C@@H](C)CCC#N 602434991 YMQLTKWJLRNUMX-ZDUSSCGKSA-N 248.395 3.676 30 20 BHED C=CCC1(NCc2conc2CC)CCCCC1 625934283 IDPXDLWNRQKZLL-UHFFFAOYSA-N 248.370 3.606 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1cnc(C)s1 631706579 IJTWCLBIRZAUEO-DCAQKATOSA-N 238.400 3.703 30 20 BHED C=CCCCCCN(C)C(=O)OC(C)(C)C 739980687 YOBOQAGBKHWAKV-UHFFFAOYSA-N 227.348 3.600 30 20 BHED CCCCCCCS[C@H]1CCO[C@@H]1C 754724224 RFPMSTZGTLIXIF-NEPJUHHUSA-N 216.390 3.867 30 20 BHED CON=C(C)c1ccc2c(c1)Cc1ccccc1-2 767477495 FSWNVMYIUPOFNK-UHFFFAOYSA-N 237.302 3.628 30 20 BHED C=C(Cl)CN[C@H](Cc1ccc(C)cc1)C1CC1 773005071 NYHLEMDKJZXWBC-OAHLLOKOSA-N 249.785 3.658 30 20 BHED CC[C@@H](C)NN=Cc1ccc2ccccc2c1 790184514 XBHXSYMLMMKUMI-GFCCVEGCSA-N 226.323 3.562 30 20 BHED CC(C)C(=NNCC1(C)CCCC1)C1CC1 793084618 QYLIROOGZLITCW-UHFFFAOYSA-N 222.376 3.578 30 20 BHED C[C@H](NN=C1CCC[C@@H]1CCF)C(C)(C)C 793113261 CEWGVPMQVXJBGW-WDEREUQCSA-N 228.355 3.526 30 20 BHED C=CCCCCCCCN[C@H](C)c1c[nH]nc1C 810243187 MIXMEMVQBXVFHN-CYBMUJFWSA-N 249.402 3.895 30 20 BHED C=CCOCCS[C@H](C)c1cccs1 814750365 KVVOCXGQIDWTRN-SNVBAGLBSA-N 228.382 3.745 30 20 BHED C[C@@H](NN=C1CCCCCCC1)c1ccncc1 819815259 OLJPEKIUCCFMDV-CYBMUJFWSA-N 245.370 3.833 30 20 BHED C=CCON=C(C)c1sc(C(C)C)nc1C 835015478 JHBWNKKDXCODAS-UHFFFAOYSA-N 238.356 3.502 30 20 BHED C=C(C)CON=C(CC)Cc1cccs1 844618024 XHNGBVCCHJVDCL-UHFFFAOYSA-N 223.341 3.649 30 20 BHED N#CCCCOC(=O)CCC1CCCCCC1 847672503 UKCFGWIETSSFCJ-UHFFFAOYSA-N 237.343 3.584 30 20 BHED CC(=NNc1ccc(C)cc1)c1ccc(C)o1 916250836 ZKOARFCLEIXCBB-UHFFFAOYSA-N 228.295 3.733 30 20 BHED Cc1ccc(C=NNc2cccc(C)c2)cc1 916255084 ADRIUGCNLNICEM-UHFFFAOYSA-N 224.307 3.749 30 20 BHED C=C[C@H](COC)N[C@@H](C)CCC1CCCCC1 1255019870 UYOVATXEEDOECM-DZGCQCFKSA-N 239.403 3.526 30 20 BHED C=CCCCCCCNC(=O)c1occ(C)c1C 1341950497 CBBNBJTXEPXREJ-UHFFFAOYSA-N 249.354 3.763 30 20 BHED CC(C)c1ccc(S[C@@H](C)C#N)cc1 54918273 KWZFMZDVFVTNCJ-JTQLQIEISA-N 205.326 3.814 30 20 BHED CC[C@H]1CCCN(c2cc(Cl)ccc2C#N)C1 62789928 LLQINHAZAVYKJH-NSHDSACASA-N 248.757 3.838 30 20 BHED C=CCSCCN[C@H](C)c1ccc(C)s1 129359456 QGDREWDEAJANMV-LLVKDONJSA-N 241.425 3.626 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccccc1C(F)(F)F 132678102 JNAIIAHNRXBPCA-ZJUUUORDSA-N 243.272 3.931 30 20 BHED CCC(C)(CC)C(=O)Nc1cc(C#N)ccc1C 158854477 XGACOFLEIPKSMG-UHFFFAOYSA-N 244.338 3.632 30 20 BHED C=CC[C@H](C)N[C@@H]1CSCCc2ccccc21 180953699 HQQSHJOFOKSNHH-SWLSCSKDSA-N 247.407 3.571 30 20 BHED C[C@H](Oc1ccc(F)cc1)c1cccc(C#N)c1 190087276 VQSNMZCYKCHMMN-NSHDSACASA-N 241.265 3.837 30 20 BHED C=CCC1(C(=O)N2CCC[C@@H]3CCC[C@@H]32)CCC1 191909038 MXHGIBVORICIST-KBPBESRZSA-N 247.382 3.524 30 20 BHED C=CCC1(C(=O)N2CCC[C@@H]3CCC[C@H]32)CCC1 191909059 MXHGIBVORICIST-UONOGXRCSA-N 247.382 3.524 30 20 BHED Cc1nsc(N[C@@H]2CCC[C@H](C)[C@H]2C)c1C#N 227560192 NYXYRASCNHZDQX-YGOYTEALSA-N 249.383 3.560 30 20 BHED C[C@H]1CCC[C@@H](C)[C@@H]1NCc1ccc(C#N)s1 247124892 GCOFMLMCSKHSLQ-YABSGUDNSA-N 248.395 3.534 30 20 BHED C[C@H]1CCC[C@@H]1Nc1ccccc1O[C@H](C)C#N 272577840 QABYNWBNRCQTIP-XQQFMLRXSA-N 244.338 3.578 30 20 BHED C=CCCCCN[C@@H](C)c1ccc2c(c1)COC2 274403068 BJYXBJQUPJLIFL-ZDUSSCGKSA-N 245.366 3.724 30 20 BHED C=CC[C@H](C)N[C@@H](CC)c1ccsc1 294427536 PBPARRZLDCJIII-JQWIXIFHSA-N 209.358 3.753 30 20 BHED C=CC(C)(C)C(=O)N[C@H](C)c1ccc(F)c(C)c1 295101335 KIGAWBKUWPGJJY-LLVKDONJSA-N 249.329 3.524 30 20 BHED C=CCCCN[C@H](c1ccccc1)C(C)C 303080895 IZXSCIYCWAVALI-HNNXBMFYSA-N 217.356 3.940 30 20 BHED C=C(CC)CN[C@@H](CC)c1ccc(F)cc1F 341852532 KUOPCRMLNZQKSL-AWEZNQCLSA-N 239.309 3.972 30 20 BHED C=CC[C@H](C)N[C@@H](CC)C1CCCCC1 390008196 XVIDVDZMLAFSRX-JSGCOSHPSA-N 209.377 3.900 30 20 BHED CC(C)C[C@H]1CCCN1Cc1ccccc1C#N 396930868 XXKTWXHGXUYAER-MRXNPFEDSA-N 242.366 3.569 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 424786661 UBAAZVWAHFOHAJ-FRRDWIJNSA-N 237.387 3.530 30 20 BHED CC(C)=CCSc1c(C#N)cccc1[N+](=O)[O-] 425256734 HQHOLVBFMTWNSY-UHFFFAOYSA-N 248.307 3.525 30 20 BHED CCOCCCS[C@@H](C)c1ccc(C#N)cc1 437271643 BLGBKEPSBXEHIZ-LBPRGKRZSA-N 249.379 3.779 30 20 BHED C=CCN(CC1CCCCC1)CC1CCC1 441381509 IUMWESXYYAOICD-UHFFFAOYSA-N 221.388 3.855 30 20 BHED N#C[C@H]1CC[C@H](NCCC2=CCCCCC2)C1 442842051 PLLBAHNYRYQXQW-GJZGRUSLSA-N 232.371 3.549 30 20 BHED Cc1cc(CN[C@H](C)CCC2CC2)ccc1C#N 443987631 KIWSUWFKWUCHLP-CYBMUJFWSA-N 242.366 3.535 30 20 BHED CC[C@H](N[C@H]1CC[C@H](C)C1)c1ccc(C#N)cc1 447595555 AHJFGVWRXLNHEK-RCBQFDQVSA-N 242.366 3.788 30 20 BHED C=C(C)CN(C)C[C@H](C)c1cc(F)cc(F)c1 449228849 WKQDAIUJBUALRV-NSHDSACASA-N 239.309 3.576 30 20 BHED CCC[C@H](NCC1(C#N)CCC1)c1ccccc1 450661985 PCDGIOXKOTZTGW-HNNXBMFYSA-N 242.366 3.811 30 20 BHED CC#CCCN1CC[C@@H](c2ccc(C)cc2C)C1 470995329 HUMXQNYXINYILO-MRXNPFEDSA-N 241.378 3.506 30 20 BHED C=C[C@@H](C)N[C@H]1CC(C)(C)c2cc(OC)ccc21 474039981 WTTLSCLCQWIYJF-ABAIWWIYSA-N 245.366 3.582 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@H]1CC12CCCCC2 488811444 COLRONSXHRXEJD-UONOGXRCSA-N 247.382 3.524 30 20 BHED C=CCC(C)(C)CNC(=O)C[C@@H]1CCC[C@H]1C 489964139 GRUHLYJKUMLTDA-OLZOCXBDSA-N 237.387 3.531 30 20 BHED C=CCCCC[C@H](C)NC[C@@H]1CCO[C@H](C)C1 493706898 NKKRZADQECLZJR-RRFJBIMHSA-N 239.403 3.526 30 20 BHED C=C(C)CCc1noc(-c2ccc(F)cc2C)n1 508671028 JYCRLVKNIVEZJV-UHFFFAOYSA-N 246.285 3.693 30 20 BHED C=CCCN(CCC)CCc1cccs1 546630732 BJZLQRXBTQDWDA-UHFFFAOYSA-N 223.385 3.579 30 20 BHED C=CCC[C@@H](CCC)N[C@@H](C)c1ccnc(O)c1 550860492 KDYIJAOEVTTYBO-GXTWGEPZSA-N 248.370 3.573 30 20 BHED Cc1ccc(Nc2nc(C#N)c(Cl)s2)cc1 590569928 VDOONBFMIALQBL-UHFFFAOYSA-N 249.726 3.720 30 20 BHED C=CCCCCNC(=O)c1cc2occc2s1 681146469 YOSBAISZEGFEER-UHFFFAOYSA-N 249.335 3.580 30 20 BHED CC(=NNc1c(C)cccc1F)c1ccc(C)o1 769842162 ZJDMLQSNVPKPPV-UHFFFAOYSA-N 246.285 3.872 30 20 BHED C=C(CC)COC(=O)C[C@@H]1CCc2ccccc21 773515815 OHWNOIJKPLPDFD-AWEZNQCLSA-N 244.334 3.616 30 20 BHED CCCCCCCCN(C)CCc1ccncc1 779599818 ZTFWECDUDQAIEV-UHFFFAOYSA-N 248.414 3.916 30 20 BHED C=C[C@H](C)OC(=O)c1ccc2[nH]c(C)c(C)c2c1 781579019 VHCFAHYBZMQQJP-VIFPVBQESA-N 243.306 3.516 30 20 BHED COc1ccc(NN=C[C@@H]2CCCC[C@@H]2C)cc1 783856581 DPAOMLZVAPAMPR-STQMWFEESA-N 246.354 3.919 30 20 BHED C=CCC1(C(=O)Oc2ccc(C)cc2C)CCC1 792522828 GVTMNHWTGRHAAY-UHFFFAOYSA-N 244.334 3.955 30 20 BHED Cc1ccnc(NN=C2CCC[C@H]2CCCF)c1 800813858 KQTBASIGLGRZKL-LBPRGKRZSA-N 249.333 3.708 30 20 BHED CCCC(=NOC1CCC1)c1ccsc1 812235765 QEPHNFXPENJNID-UHFFFAOYSA-N 223.341 3.821 30 20 BHED C=C(C)COC(=O)C1(c2ccccc2)CCCC1 916588136 JIHNCHVHTOMFQV-UHFFFAOYSA-N 244.334 3.618 30 20 BHED CCCCCCCC(=O)NC[C@H]1CC=CCC1 921011767 HQJSUPCSOPNREF-AWEZNQCLSA-N 237.387 3.819 30 20 BHED C=C[C@H](CC)CC(=O)N1CCCC12CCCCC2 935119991 DMIAQWUCTPGNTI-CQSZACIVSA-N 249.398 3.914 30 20 BHED CC(C)(C)ON=C1[C@@H]2CCC[C@@H]2C1(C)C 1261653501 NHWFSEKXGJACKK-ZJUUUORDSA-N 209.333 3.614 30 20 BHED C[C@@H](CCC#N)CN1CC(C)(C)CC(C)(C)C1 1621227027 JBJLLEGWXFFLNC-ZDUSSCGKSA-N 236.403 3.684 30 20 BHED N#CCC1(CN2CCCC3(CCCCC3)C2)CC1 1653329286 GRYCIRNGMPVBDV-UHFFFAOYSA-N 246.398 3.727 30 20 BHED CCCC(CCC)Nc1cccc(C#N)c1 21819417 OLOCCHJAZLUKPR-UHFFFAOYSA-N 216.328 3.939 30 20 BHED Cc1c(F)cccc1NCc1ccc(C#N)cc1 43319541 AEZPJEFLTYWWPF-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=CCN(CCCC)CCc1ccccc1 62364963 UXWQMTCQXTVLBE-UHFFFAOYSA-N 217.356 3.517 30 20 BHED CCCc1ccc(OCCC(C)(C)C#N)cc1 87596159 QEOWDUVPXBMJBE-UHFFFAOYSA-N 231.339 3.958 30 20 BHED CC[C@](C)(C#N)C(=O)Nc1cccc(C(C)C)c1 136184202 LAFLZGNVECHQML-OAHLLOKOSA-N 244.338 3.688 30 20 BHED C=C[C@H](C)NC(=O)C[C@H](c1ccccc1)C(C)C 153915932 AKZJSFCDAHHHDZ-ZFWWWQNUSA-N 245.366 3.507 30 20 BHED C=C(C)CSCC(=O)Nc1cc(C)ccc1C 177869035 NSZAYWDRZVRNTE-UHFFFAOYSA-N 249.379 3.551 30 20 BHED CC(C)[C@H](Cc1ccccc1)NCCCCC#N 187156480 KIGRLXZHTRNQLD-INIZCTEOSA-N 244.382 3.537 30 20 BHED C[C@@H](c1cccc(C#N)c1)N1Cc2ccccc2C1 187678712 GLKKWUDGFCRKLG-ZDUSSCGKSA-N 248.329 3.635 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc(C)cc1F 189943610 GIPUCZZKCTVBST-CQSZACIVSA-N 235.302 3.675 30 20 BHED C=CCSCCN[C@@H](CC)c1ccc(C)cc1 221944334 BMHBABRKWFQSQW-HNNXBMFYSA-N 249.423 3.955 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1nccc2ccccc12 290671736 LHCZEYTWZMJHFL-STQMWFEESA-N 240.350 3.850 30 20 BHED C=CCSCc1cc([N+](=O)[O-])ccc1Cl 308798833 LRXJHGIESWVKGA-UHFFFAOYSA-N 243.715 3.667 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccc(CC)o1 310005521 GNUVEMZMJVCRDG-NEPJUHHUSA-N 221.344 3.847 30 20 BHED Cc1nc(N[C@@H](C)C2CCC2)c(Cl)cc1C#N 310457471 ZQUVIDWYTFBVJJ-QMMMGPOBSA-N 249.745 3.516 30 20 BHED C=C(CC)CSCCCCCOC 336651703 JSPJDXCIIVYBEW-UHFFFAOYSA-N 202.363 3.503 30 20 BHED Cc1ccc(C#N)cc1NCc1ccsc1C 336695020 IHRYZNXCKAKURX-UHFFFAOYSA-N 242.347 3.849 30 20 BHED C=CCNc1cccc(-c2nc(C)cs2)c1 336734245 KRTYDUPNVJKWAE-UHFFFAOYSA-N 230.336 3.716 30 20 BHED CC[C@H](NCC1(C#N)CC1)c1cccc(Cl)c1 343582272 KNTPQNZQMRSHBH-ZDUSSCGKSA-N 248.757 3.684 30 20 BHED C=C(C)CCNc1cccc2c1OCC[C@@H]2OC 345389963 CAHXEISRNURLDK-AWEZNQCLSA-N 247.338 3.535 30 20 BHED CN(CCC#N)[C@@H]1CCCC[C@@H]1c1ccccc1 353229997 MRSXMFAUPWCNEB-HZPDHXFCSA-N 242.366 3.558 30 20 BHED C=CCCC1(C(=O)N[C@H]2CCC23CCCC3)CC1 357150045 RKHVTBFSJMLBIC-ZDUSSCGKSA-N 247.382 3.572 30 20 BHED C=CCC[C@@H](CCC)NC/C=C/C1CC1 378853348 HTLXXXLKGULUMZ-IZPAUZPXSA-N 207.361 3.677 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@H](CCC)C(C)C 410125221 XHIYJJXGZCNGJK-CHWSQXEVSA-N 225.376 3.530 30 20 BHED CCc1ccccc1CSCC1(C#N)CC1 438305690 OLMNBGHAWQPMEA-UHFFFAOYSA-N 231.364 3.786 30 20 BHED C=CCC1(NC(=O)[C@H](C)C2CCC2)CCCCC1 457860228 BLLPIJHVZIAQOR-CYBMUJFWSA-N 249.398 3.818 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H](C)C[C@H](C)CC 467353614 DMVYRVIUGBDJBH-OLZOCXBDSA-N 237.387 3.696 30 20 BHED C=CCCC(=O)Nc1ccc(C2CCC2)cc1 470505825 VZBHMTSTTGKYGL-UHFFFAOYSA-N 229.323 3.859 30 20 BHED C=CCCCN1C[C@@H](C)[C@@H]1c1ccccc1 483073199 TXODNJXPBHIZNU-UKRRQHHQSA-N 215.340 3.646 30 20 BHED CC(C)(C)CCCC(=O)Nc1cccc(C#N)c1 504490441 VNYJKFIFJSZQBV-UHFFFAOYSA-N 244.338 3.713 30 20 BHED C=CCCC(=O)N(CCCC)c1ccccc1 523228784 ZAPXPRHENYDPAD-UHFFFAOYSA-N 231.339 3.786 30 20 BHED C=CCCN(C)Cc1nc2cc(C)ccc2s1 528473215 MYVMAHGWMNFGOE-UHFFFAOYSA-N 246.379 3.613 30 20 BHED C=CCC(C)(C)c1noc(C[C@H](C)CCC)n1 551144815 UYSNKXQAARUQLW-LLVKDONJSA-N 236.359 3.902 30 20 BHED N#CC1(CC(=O)Nc2ccsc2)CCCCC1 597261818 VQVLYSVBNHKESY-UHFFFAOYSA-N 248.351 3.551 30 20 BHED C=CCCSCc1ccc(C#N)cc1C 614394715 KXWHPEMXBIYFNW-UHFFFAOYSA-N 217.337 3.676 30 20 BHED CCCCCCCC(=O)OCC1(CC#N)CC1 744277552 RJNGDYWAHUEANA-UHFFFAOYSA-N 237.343 3.584 30 20 BHED C#CCCCSc1ncc(-c2ccccc2)[nH]1 766293118 AJLPOVSGCLNCAO-UHFFFAOYSA-N 242.347 3.582 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C/c1ccccc1 775925614 UUDATHQAKKCERP-FNDVETGQSA-N 243.350 3.561 30 20 BHED CC1(C)CCC[C@@H]1NN=C1CCC2(CC1)CC2 782289845 WBTWLLBSKZARAI-ZDUSSCGKSA-N 234.387 3.865 30 20 BHED CC[C@@H](C)CC(=O)O[C@H](C)c1cccc(C#N)c1 791800914 KHRSJERNTAPTQJ-VXGBXAGGSA-N 245.322 3.599 30 20 BHED C[C@@H]1CC=CC[C@@H]1COC(=O)CCCCCC#N 805869610 XBWAWICXZIGYOD-ZIAGYGMSSA-N 249.354 3.606 30 20 BHED C#Cc1ccc(CNCCC2=CCCCC2)cc1 809423168 DBZIAVZHRUMHCF-UHFFFAOYSA-N 239.362 3.648 30 20 BHED Cl/C=C/CON=C(Cc1ccccc1)C1CC1 811672018 OFUMSRWSBHSMHK-IJEHECDGSA-N 249.741 3.764 30 20 BHED COCCCON=C1CCCCC12CCCC2 814931669 PMRWRCQYJVXANQ-UHFFFAOYSA-N 239.359 3.530 30 20 BHED c1ccc([C@H]2CCC(=NOCC3CC3)C2)cc1 814941273 UEJYYCDYUABFHK-AWEZNQCLSA-N 229.323 3.737 30 20 BHED CCCCCCCCNC(=O)[C@@H](C)C(C)(F)F 815871991 AQDDBDSZWFFMPY-LLVKDONJSA-N 249.345 3.754 30 20 BHED C=C(C)C(C)(C)C(=O)OC[C@@H]1CCC(F)(F)C1 820982308 GOLSMOVMNFXBSX-SNVBAGLBSA-N 246.297 3.567 30 20 BHED C#CCCCCCC(=O)N[C@]1(C)CCCC[C@@H]1C 837255042 TUVRDZTVTIAFNN-GOEBONIOSA-N 249.398 3.655 30 20 BHED CCC[C@@H]1CCCC[C@@H]1OC(=O)CCCC#N 851453491 RNSLHCUVSAJKAQ-OLZOCXBDSA-N 237.343 3.582 30 20 BHED CO[C@@H](C=NOC1CCCCC1)C1CCCC1 853334796 CBTRSXMSLAVDPW-AWEZNQCLSA-N 239.359 3.527 30 20 BHED CC(=NNCc1ccccc1)C1CCCCC1 916344118 NWAWGQVNOVHRLS-UHFFFAOYSA-N 230.355 3.732 30 20 BHED CC(=NOC(C)(C)C)c1cccc(C)c1C 1116409495 YGEFZQXHGFYYHV-UHFFFAOYSA-N 219.328 3.843 30 20 BHED CC(C)(C)ON=Cc1ncc(C(C)(C)C)s1 1117741852 GCXKTJFXHTUMJE-UHFFFAOYSA-N 240.372 3.590 30 20 BHED C=C(C)CCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 1120622541 MBEROBDZPIJCJC-LBPRGKRZSA-N 249.329 3.701 30 20 BHED CC[C@@H]1CCCC[C@@H]1CNc1ncccc1C#N 1307128853 GOWQYFAXMBMMTK-TZMCWYRMSA-N 243.354 3.582 30 20 BHED C[C@H](CSc1cc(C#N)ccn1)C(C)(C)C 1458916065 ZBVJZNZHJGANQX-SNVBAGLBSA-N 234.368 3.728 30 20 BHED C[C@@H]1CCCCC[C@H]1NCc1cccc(C#N)c1 88505774 TWZCGNRBIBRQCU-CZUORRHYSA-N 242.366 3.617 30 20 BHED C=CC[C@H](C)NC(=O)[C@H](C)CC1CCCCC1 116853453 HODZSJOBWSWAOZ-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C[C@@H](NCCCC#N)c1ccc2ccccc2c1 128374103 BCIGKLLYDGJINW-CYBMUJFWSA-N 238.334 3.794 30 20 BHED CCC[C@H](C)[C@H]1CCCN1CCCCC#N 135327712 BFFOTEPVTHOFQB-UONOGXRCSA-N 222.376 3.581 30 20 BHED C=CCC[C@H](C)N[C@@H](C)c1c(F)cccc1F 135713567 KPXFXIWJNYMBIO-QWRGUYRKSA-N 239.309 3.970 30 20 BHED CCCCCCCN(C)CCc1nccs1 157466736 XWVMRFJKRGBSPP-UHFFFAOYSA-N 240.416 3.588 30 20 BHED C#CCCCNC1c2ccccc2-c2ccccc21 183826181 YNJGBKJMMZIUIS-UHFFFAOYSA-N 247.341 3.759 30 20 BHED CC#CCCCC(=O)N(CC)[C@@H]1CCCC[C@@H]1C 185641611 DXDWRASNGOFZMN-LSDHHAIUSA-N 249.398 3.607 30 20 BHED C=C(C)CN[C@H](C(=C)C)c1ccc(F)c(F)c1 187793949 SQNVIERRPQAOCI-CQSZACIVSA-N 237.293 3.748 30 20 BHED C=CCC1(C(=O)Nc2cccc(C)c2)CCC1 190246331 WEEAJEJGUUZPTE-UHFFFAOYSA-N 229.323 3.680 30 20 BHED N#Cc1cccc(CSCc2ccco2)c1F 219760088 KDWPWFOGSDUTNW-UHFFFAOYSA-N 247.294 3.724 30 20 BHED Cc1c(C#N)cccc1NC/C(Cl)=C\Cl 309180737 NRSVGNNRMRPNFG-BJMVGYQFSA-N 241.121 3.598 30 20 BHED C=C(CC)CN[C@H](C)c1cc(F)ccc1F 309820947 WHUQYDAJBQEMTN-SNVBAGLBSA-N 225.282 3.582 30 20 BHED C[C@@H]1CC[C@H](Nc2cccc(CC#N)c2)[C@H](C)C1 313484383 VKGFIKHAHKGFBZ-IOASZLSFSA-N 242.366 3.989 30 20 BHED C=CCC[C@@H](CC)NCC(C)(C)c1cccnc1 414324759 BTAWWTNHVOKZLO-OAHLLOKOSA-N 246.398 3.694 30 20 BHED CC[C@@H](NCC1(CC#N)CC1)c1ccc(F)cc1 429784755 OHRVDNVETYRXJJ-CQSZACIVSA-N 246.329 3.560 30 20 BHED C=CCC1(C(=O)N(CC)CCC)CCCCC1 448673274 PPJBITDIZSFROU-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C=C(C)CCN[C@@H](C)Cc1coc2ccccc12 449479419 UXFZJZHCNADOGM-ZDUSSCGKSA-N 243.350 3.920 30 20 BHED C=CCC1(NC(=O)C(CC)CC)CCCCC1 456378192 HJHNENCIGDAGPW-UHFFFAOYSA-N 237.387 3.818 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CCCC(C)(C)C2)CC1 476923664 LEFWXOONCOVULS-CYBMUJFWSA-N 249.398 3.818 30 20 BHED C=C(C)CCN[C@H](C)[C@H](C)c1ccc(OC)cc1 508968610 YIVNXZPHTQBDTR-UONOGXRCSA-N 247.382 3.743 30 20 BHED C=C(C)CCN(C)[C@H](C)c1ccccc1F 509311907 AENBVJMVQAMMBN-GFCCVEGCSA-N 221.319 3.785 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H]1c2ccccc2O[C@H]1C 570486572 YCCOELXYUOMAKC-QCQGSNGOSA-N 245.366 3.699 30 20 BHED COCC[C@H](C)SCc1ccc(C#N)cc1C 614394775 QSZHOAVPADRYQT-LBPRGKRZSA-N 249.379 3.525 30 20 BHED C=CCCC(C)(C)NCc1cccs1 657805941 XXNQWCWVLMKGNW-UHFFFAOYSA-N 209.358 3.583 30 20 BHED C=CCCC[C@H](C)NC(=O)N(CC)[C@H](C)CC 664590084 REUVHZASNYQGBH-QWHCGFSZSA-N 240.391 3.561 30 20 BHED C=C(C)CN(CC)C(=O)c1cccc(C(C)C)c1 666259584 JSXLZLNOHRNYSI-UHFFFAOYSA-N 245.366 3.848 30 20 BHED Cc1c(Cl)cccc1Oc1ccnc(C#N)c1 702656045 VRRRBBMCNCBDMH-UHFFFAOYSA-N 244.681 3.707 30 20 BHED CC(=NOCC(C)C)c1nc2ccccc2s1 749631699 OOQHRDCKMFADKG-UHFFFAOYSA-N 248.351 3.693 30 20 BHED CON=C1CCC[C@@H]1c1ccccc1Cl 758102607 AVMPEIDAISMEEW-SNVBAGLBSA-N 223.703 3.610 30 20 BHED FC(F)(F)CON=C1CC[C@@H]2CCCC[C@@H]2C1 764835657 NECYOLFCWZLXDX-VHSXEESVSA-N 249.276 3.912 30 20 BHED CC(CCC1CC1)=NNc1nccnc1C(C)C 773089922 BTUMMLBFOLCMQO-UHFFFAOYSA-N 246.358 3.578 30 20 BHED CC(=NNc1cc(C)cc(C)c1)[C@]1(C)CCCO1 782167406 STUYFIORLIZSBA-HNNXBMFYSA-N 246.354 3.660 30 20 BHED CCC(CC)CNN=Cc1sccc1Cl 782271601 HKWRFMCWQYLSHQ-UHFFFAOYSA-N 244.791 3.761 30 20 BHED C[C@@H](NN=C1CCCCCC1)C(C)(C)C 793117166 WVXDWHYKPBFTMP-LLVKDONJSA-N 210.365 3.721 30 20 BHED C=CC[C@H](CC)NC(=O)N[C@H](C)CCCCC 798345892 OTRLCYITNXOAFR-OLZOCXBDSA-N 240.391 3.609 30 20 BHED CC(Cc1cccc(F)c1)=NOCCC1CC1 814245743 GBSXKPJKVHOVBJ-UHFFFAOYSA-N 235.302 3.561 30 20 BHED CCCCCC(C)=Nn1cnc2ccccc21 818268559 LGTQQRGJQHTPES-UHFFFAOYSA-N 229.327 3.841 30 20 BHED CCC(=NOC/C=C/Cl)C1CCCC1 834978411 GAGCPMMNWPQOOS-JPWQVFTHSA-N 215.724 3.712 30 20 BHED CC(=NOCc1ccccc1)c1ccc(F)cc1 839419729 SZTCCMXFDAAVQA-UHFFFAOYSA-N 243.281 3.767 30 20 BHED C/C=C/C=C\C(=O)OCCC1(C#N)CCCCC1 840015399 NZKBQVMSFZOAFE-FBRVOWQISA-N 247.338 3.526 30 20 BHED C=C[C@@H](C)OC(=O)[C@@H](C)c1ccc(Cl)cc1 845521922 GKDKCGGPFHUOCE-ZJUUUORDSA-N 238.714 3.561 30 20 BHED N#C[C@@H](c1ccccc1)N1CCC2(CCCC2)C1 851790394 JYEFOCIOQZMXOB-HNNXBMFYSA-N 240.350 3.517 30 20 BHED CCCCCCCN(C)CC1=CCSC1 852747639 QZXQMXDBFWKWBS-UHFFFAOYSA-N 227.417 3.562 30 20 BHED CCCC(CCC)=NNc1cccc(C)n1 863161967 NPPBHASOQKSMBT-UHFFFAOYSA-N 219.332 3.758 30 20 BHED C=CCCCCCCCNCc1ocnc1C 894789686 IZTMLWXWCYIZFG-UHFFFAOYSA-N 236.359 3.599 30 20 BHED CCCC(C)=NNc1nc2ccccc2s1 916246790 QHQPXWRHCOYRFT-UHFFFAOYSA-N 233.340 3.884 30 20 BHED CC1=CC(=NNCc2ccccc2Cl)CC1 1116302579 ZHMLNCJTXUYPRB-UHFFFAOYSA-N 234.730 3.526 30 20 BHED N#CC1(CC(=O)O[C@H]2C=CCCC2)CCCCC1 1118417343 WNLWETWNXXXFOS-ZDUSSCGKSA-N 247.338 3.502 30 20 BHED Cc1cc(C)nc(CSCCC(C)(C)C#N)c1 1356046223 QSQFHUUIRLISSO-UHFFFAOYSA-N 248.395 3.872 30 20 BHED C=C(Cl)CN[C@H](C)c1cc(Cl)ccc1F 1473309431 LPKWKIGJLSDXDW-MRVPVSSYSA-N 248.128 3.882 30 20 BHED C=C(C)CNc1cccc(Cl)c1Cl 49136580 LGAGCJFDEHDKJA-UHFFFAOYSA-N 216.111 3.981 30 20 BHED CN(CCCC#N)c1cccc2ccccc12 55020213 BXJONTJDTRQJFN-UHFFFAOYSA-N 224.307 3.580 30 20 BHED C=CCCOCCN[C@@H](CC)c1ccc(C)cc1 90883856 UHKHTZAGJKAMRP-INIZCTEOSA-N 247.382 3.628 30 20 BHED CCCCCCCC(=O)N(C)[C@H](C)CC 105028078 BOKCUZYMXMZXIB-GFCCVEGCSA-N 213.365 3.604 30 20 BHED CC(C)CCN(C)[C@H](C)c1ccc(C#N)cc1 122867454 AQWVOWDMKISTFD-CYBMUJFWSA-N 230.355 3.597 30 20 BHED C[C@H](SCC1CC1)c1ccc(C#N)cc1 125265588 PNVTXNRMSYRMTK-JTQLQIEISA-N 217.337 3.762 30 20 BHED C=CCCC[C@@H](C)NCc1ccc(CC)o1 133582778 SWTXDBGFJPVVQD-GFCCVEGCSA-N 221.344 3.676 30 20 BHED CC[C@@H](C)[C@H](C)Nc1c(F)cc(C#N)cc1F 133598101 OPLDNPLYPZWNNF-BDAKNGLRSA-N 238.281 3.683 30 20 BHED C=CC[C@@H](C)N[C@H](CC)c1ccccc1F 163181919 IGLMGZWBQFTWSG-BXUZGUMPSA-N 221.319 3.831 30 20 BHED C=CCCC(=O)Nc1ccc(COC(C)C)cc1 171440847 VDSLLSFJDLOIPZ-UHFFFAOYSA-N 247.338 3.516 30 20 BHED C=CCCCC(=O)N[C@H](C)c1cccc(C)c1C 175689032 AZKMAHQZSGMSLI-CQSZACIVSA-N 245.366 3.837 30 20 BHED C=CC[C@@H](C)NCCCCCOc1ccccc1 187937977 XPLHOWNOFMBOLB-OAHLLOKOSA-N 247.382 3.790 30 20 BHED C=CCN(Cc1ccccc1)C(=O)/C(C)=C/CC 194533263 PVBXJYBWKODRAY-NTEUORMPSA-N 243.350 3.558 30 20 BHED N#Cc1ccc(C(=O)/C=C\c2cccs2)s1 255063241 VDQDSHQUHKDYEH-HYXAFXHYSA-N 245.328 3.577 30 20 BHED C=CCC[C@@H](C)N[C@@H](CCC#N)c1ccccc1 273491817 OKFSKNGANXTVTL-ZBFHGGJFSA-N 242.366 3.976 30 20 BHED C[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(C#N)n2)C1 301151197 AFFGNKHMDOVVIN-NXEZZACHSA-N 249.745 3.597 30 20 BHED N#Cc1ccc(OCCCCCF)cc1Cl 304458184 ZJZPBNNBIUIJNC-UHFFFAOYSA-N 241.693 3.730 30 20 BHED C=CCNc1cc(Cl)c(Cl)cc1F 306329911 AKJREHVNWRWGPY-UHFFFAOYSA-N 220.074 3.730 30 20 BHED C=C(Cl)CSC[C@@H]1CC1(Cl)Cl 307706745 YDUWCVYOGXHKKF-LURJTMIESA-N 231.575 3.666 30 20 BHED C=C[C@@H](C)N[C@@H](CCC)c1ccsc1 308499070 FOJYLTBFOMHXHL-PWSUYJOCSA-N 209.358 3.753 30 20 BHED CCCCCCC[C@H](C)NCCCC#N 309170123 KZSQOYZBMGBVLF-ZDUSSCGKSA-N 210.365 3.629 30 20 BHED C=CCCCCN[C@H](C)c1cccc([N+](=O)[O-])c1 311204087 LVSDNLKVNQXDRT-GFCCVEGCSA-N 248.326 3.602 30 20 BHED C=CCCC1(c2nc(-c3ccsc3)no2)CC1 347088828 QGGQGORFWHDKCM-UHFFFAOYSA-N 246.335 3.796 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccccc1OC 384899978 AAVXZWGRKMAIIK-GFCCVEGCSA-N 233.355 3.558 30 20 BHED C=CC[C@H](CC)NC(=O)C[C@@H](CC)C(C)C 410118866 IVEACGSKKKKVCH-OLZOCXBDSA-N 225.376 3.530 30 20 BHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](CC)CCCC 436311895 YHSQEHHADPMFBI-KFWWJZLASA-N 239.403 3.526 30 20 BHED C=C[C@@H](C)NCc1cccc2c(OC)cccc12 449190186 NKXXQKVQVAXMSG-GFCCVEGCSA-N 241.334 3.513 30 20 BHED CCCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 464820850 GMRBPHHYFZCQBY-CVEARBPZSA-N 242.366 3.558 30 20 BHED C=CC1CCN(C(=O)[C@H]2CCCC[C@H]2CC)CC1 475927629 TZBCNUBLSVWFTC-CABCVRRESA-N 249.398 3.627 30 20 BHED CC[C@H](NCC1CC=CC1)c1ccc(C#N)cc1 527951561 QMMQHZBDLIWENY-INIZCTEOSA-N 240.350 3.565 30 20 BHED C=C(CC)CN(C)C[C@H](C)c1ccccc1 538003264 XAQUBJGSJCAMTJ-AWEZNQCLSA-N 217.356 3.688 30 20 BHED C=C(CC)CN(C)[C@H](C)c1cc(F)ccc1F 540218022 ZPNVTVFPBKRFFX-LLVKDONJSA-N 239.309 3.924 30 20 BHED C=CCCOc1ccc2cc(C(C)=O)ccc2c1 549514459 MHQNAPVXJQZRCA-UHFFFAOYSA-N 240.302 3.997 30 20 BHED C=CCC(C)(C)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 551455857 MPBVFBPNTXNPRR-KGLIPLIRSA-N 249.398 3.674 30 20 BHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1CCC(C)(C)C#N 551528138 BFEBGNUKVGZHGK-HZSPNIEDSA-N 234.387 3.579 30 20 BHED C=CCC[C@H](N[C@H]1CC=CCC1)c1ccco1 552061640 UGARJQVUWKFPEF-KBPBESRZSA-N 231.339 3.985 30 20 BHED C/C=C\c1ccc(Nc2cccc(C#N)n2)cc1 574231785 NNOQFMLZBWHMNR-RQOWECAXSA-N 235.290 3.730 30 20 BHED C=CCCCCN(C)Cc1nc2ccccc2o1 581984271 HXNORZKXOFDYCO-UHFFFAOYSA-N 244.338 3.616 30 20 BHED C[C@@H]1CCCC[C@H]1CSCC1(C#N)CC1 596376090 FVFYZPAVQYMZAR-NEPJUHHUSA-N 223.385 3.850 30 20 BHED CSc1ccc(N(C)C[C@@H](C)CCC#N)cc1 602613717 PFBYMAAKHADWGW-LBPRGKRZSA-N 248.395 3.785 30 20 BHED CC[C@@H](c1ccccc1)N1CCC[C@](C)(C#N)C1 612164915 IWERSNDORWEMHX-JKSUJKDBSA-N 242.366 3.763 30 20 BHED C[C@@H](CNCC(C)(C)C#N)CC1CCCCC1 612587943 HGWZHPOWISZRQK-CYBMUJFWSA-N 236.403 3.732 30 20 BHED CCC(CC)CN[C@@H]1CCc2cc(C#N)ccc21 618831479 STBDTEMYVKYYJA-MRXNPFEDSA-N 242.366 3.571 30 20 BHED C=CCC1(NC(=O)c2ccc(C)s2)CCCC1 619105636 GQJVVQOJOSYVEY-UHFFFAOYSA-N 249.379 3.675 30 20 BHED C=C(CNC(=O)C[C@@H](C)CCC)c1ccccc1 672478015 HQGGMOZQWQBWFD-ZDUSSCGKSA-N 245.366 3.642 30 20 BHED CCCCCCCC(=O)Nc1cc(O)ccc1C 692337868 WFBGCCAPLYCDLS-UHFFFAOYSA-N 249.354 4.000 30 20 BHED CC(C)C[C@@H](C)CNc1cc(F)cc(C#N)c1 718556353 ICNAZFZMZMXMGQ-LLVKDONJSA-N 234.318 3.791 30 20 BHED CC(C)(C)CCCC(=O)Oc1ccc(C#N)cc1 728798328 HENVERCAZCGNKB-UHFFFAOYSA-N 245.322 3.680 30 20 BHED CCC(CC)NN=C1CCC[C@H](CC)C1 734979103 JRDCJVUNMZYNTC-NSHDSACASA-N 210.365 3.721 30 20 BHED C#CCCOC(=O)[C@H](CC)CCCCCC 735208492 QSLUENQEKIONLD-CYBMUJFWSA-N 224.344 3.550 30 20 BHED C=CCCC(=O)O[C@H](CC)c1cccc(OC)c1 741134000 NXQFWXDRJMAHJC-CQSZACIVSA-N 248.322 3.656 30 20 BHED CCC(C[C@H](C)CC)=NOCc1cccnc1 746585658 JOHDQSYMEADUMY-GFCCVEGCSA-N 234.343 3.800 30 20 BHED CCC[C@@H](C)[C@H](CC)NCc1ccc(C#N)cc1 765015026 MFNBSRWLYMGNRT-CJNGLKHVSA-N 244.382 3.863 30 20 BHED CC[C@@H](C)CON=C1CCC[C@@H]1CCCF 793162925 CZGVIUAXLZPOGZ-VXGBXAGGSA-N 229.339 3.955 30 20 BHED CCC(=NOC1CCC1)c1ccccc1F 812236896 ZBTFMOOBBOTCJG-UHFFFAOYSA-N 221.275 3.509 30 20 BHED C=CCC1(NC(=O)/C=C/C=C/C)CCCCC1 836960780 BMOOHHIKIOGZPJ-RVAGFXNCSA-N 233.355 3.514 30 20 BHED CC1(C(=O)O[C@H]2CCC[C@H](C#N)C2)CCCCC1 839059315 OSWBYCDZVXDZNK-STQMWFEESA-N 249.354 3.582 30 20 BHED C=CCCCCCCCNCc1nc(C)c(C)[nH]1 850303068 RIXVAEVEXZMFBF-UHFFFAOYSA-N 249.402 3.643 30 20 BHED C#CCCCCC(=O)O[C@H](C=C)c1ccccc1 851452867 XOGWLUBWCBVZBY-OAHLLOKOSA-N 242.318 3.651 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1cccc(O)c1F 872068405 HGDRTBOCNAONRX-GHMZBOCLSA-N 237.318 3.537 30 20 BHED Cc1cccc(C=NOCc2ccc(F)cc2)c1 916621114 VAOMBQRGGRWZCY-UHFFFAOYSA-N 243.281 3.685 30 20 BHED CCON=Cc1cc(-c2ccccc2)cs1 917543443 OJJWPAHCEPNEEG-UHFFFAOYSA-N 231.320 3.786 30 20 BHED C=C(CC)C(=O)N1CCC[C@@H]1c1ccc(C)cc1 1350873128 NYZCRDYFCLFVJS-OAHLLOKOSA-N 243.350 3.625 30 20 BHED CC1(C)CCC[C@@H](CN2CCC[C@@](C)(C#N)C2)C1 1461998591 PRHSPLVYCYKQGD-ZBFHGGJFSA-N 248.414 3.828 30 20 BHED CCc1csc(Oc2ccc(C#N)cc2F)n1 1651633337 SZLVMKJHLBPFRS-UHFFFAOYSA-N 248.282 3.509 30 20 BHED C=CCC1(O)CCC(C(C)(C)CC)CC1 86712508 ABCGJIVYMZYMQN-UHFFFAOYSA-N 210.361 3.920 30 20 BHED CC[C@H]1CCCN(CCCC(C)(C)C#N)CC1 87608780 SZDNGMHGMKLOLT-AWEZNQCLSA-N 236.403 3.828 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc(OC)c(Cl)c1 119327439 BEEAGIVCFZHYSC-VHSXEESVSA-N 239.746 3.574 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cc2ccccc2o1 157295467 CUBDUVVRNDYURB-MNOVXSKESA-N 215.296 3.658 30 20 BHED C=CCCCCCN(C)Cc1ccn(C(C)C)n1 172654545 SIGKBZGMXVZFNL-UHFFFAOYSA-N 249.402 3.642 30 20 BHED C=CCCCC(=O)NC(C)(C)c1ccc(F)cc1 177820792 RVACUMPJBUNSOF-UHFFFAOYSA-N 249.329 3.533 30 20 BHED C=C[C@@H](C)N[C@H](C)c1csc(Cl)c1 230410456 RLOHSAIWFPTXTO-HTQZYQBOSA-N 215.749 3.627 30 20 BHED N#Cc1cc(Cl)ccc1COc1ccccc1 260873646 YIAQKKYNKARNJK-UHFFFAOYSA-N 243.693 3.791 30 20 BHED Cc1cccc(CN(C)CC(C)(C)CCC#N)c1 271059665 WCYHLSDSJRYXKF-UHFFFAOYSA-N 244.382 3.757 30 20 BHED CC[C@H](CC(C)C)C(=O)Nc1cccc(C#N)c1 308093237 VKCJDEHDGBJWHB-CYBMUJFWSA-N 244.338 3.569 30 20 BHED C=CCCCSc1nc(C)c(C)s1 308366670 IBUZPJIDJBFFTE-UHFFFAOYSA-N 213.371 3.818 30 20 BHED N#Cc1cccc(Cl)c1NCC1CCCC1 309472347 AVISCCAJMRDWFX-UHFFFAOYSA-N 234.730 3.814 30 20 BHED CCCCCCCCN[C@@H](CC)[C@@H]1CCOC1 310263503 DOYDVKKJBMTSGT-CABCVRRESA-N 241.419 3.752 30 20 BHED C=C(C)CCc1noc([C@@H](C)c2ccsc2)n1 351607579 MEAOXNVMGVWTCY-JTQLQIEISA-N 248.351 3.792 30 20 BHED C=CCCC1(C(=O)N2CC[C@H](C)C[C@H](C)C2)CC1 356498240 PSARQILIJWSEES-KBPBESRZSA-N 249.398 3.627 30 20 BHED N#Cc1cc(Cl)ccc1N1[C@H]2CCC[C@H]1CC2 380808243 QYZMFKUJUZOPRW-STQMWFEESA-N 246.741 3.733 30 20 BHED C[C@H]1CCN(CCC2(C#N)CCCCC2)[C@@H]1C 411329300 KNKVDCLWUJFNNQ-UONOGXRCSA-N 234.387 3.581 30 20 BHED C=CCCCC[C@H](C)NCC[C@H]1CCCCO1 449236885 ZOXOJCGPAHEADZ-LSDHHAIUSA-N 239.403 3.670 30 20 BHED C=CCC1(C(=O)NC/C=C/CC)CCCCC1 452602923 NSPVFCNUWDXFID-WEVVVXLNSA-N 235.371 3.595 30 20 BHED C=CCN[C@@H]1CCCC[C@H]1Cc1ccccc1 481175580 WRUMZVCKSINFAI-JKSUJKDBSA-N 229.367 3.564 30 20 BHED C=C(C)CN1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 490065653 KMVPJTFJQHCINO-HOCLYGCPSA-N 229.367 3.749 30 20 BHED CC(C)(C)[C@H](NCC1(C#N)CC1)c1ccccc1 538353963 OVLSFOWADGGITA-CQSZACIVSA-N 242.366 3.667 30 20 BHED C=CCCN(C)C/C(C)=C\c1ccccc1 558831246 IIZVSAGOWRKANG-OWBHPGMISA-N 215.340 3.598 30 20 BHED C=CCC(C)(C)c1noc([C@](C)(C=C)CC)n1 560029933 VEWGKMBWVTUNLA-CQSZACIVSA-N 234.343 3.777 30 20 BHED C=CCCN(C)[C@H](CC)c1cccc(OC)c1 576501324 YRVGUXMPCUWENS-OAHLLOKOSA-N 233.355 3.654 30 20 BHED CCCC(C)(C)C(=O)Nc1ccc(CC#N)cc1 593015721 XUMKTIRELZPWAJ-UHFFFAOYSA-N 244.338 3.517 30 20 BHED C[C@H](CCC#N)CN1CCc2sccc2[C@H]1C 602434854 FPXAQPVOMCPFFP-VXGBXAGGSA-N 248.395 3.607 30 20 BHED C[C@H](CCC#N)CN1[C@H](C)C[C@H]2CCCC[C@H]21 602473530 OJIDHZNFSBENRK-KBUPBQIOSA-N 234.387 3.579 30 20 BHED CCCC[C@@H](CCC)NC[C@H](C)CCC#N 602564732 CHCLXOXMHUXFBQ-ZIAGYGMSSA-N 224.392 3.875 30 20 BHED C=CCN(CC=C)Cc1ccccc1C1CC1 678120241 CUSXSQSJZZHJKE-UHFFFAOYSA-N 227.351 3.738 30 20 BHED C[C@@H](Sc1ncccc1C#N)c1cccs1 749148487 YIOWRAWFGHIYLT-SECBINFHSA-N 246.360 3.868 30 20 BHED CC(C)c1nc(C(=O)/C=C\c2ccsc2)co1 752883125 PCBVHMOOHKEUQC-ARJAWSKDSA-N 247.319 3.756 30 20 BHED C=C[C@@H](C)NC(=O)[C@@H](CC)CCCCCC 757014262 WYMKWGPEKJSYIM-OLZOCXBDSA-N 225.376 3.674 30 20 BHED CC(=NNc1c(F)cccc1Cl)C(C)C 769829607 TXOAAKHPNVIHBP-UHFFFAOYSA-N 228.698 3.923 30 20 BHED C#CCN[C@H](c1oc2ccccc2c1C)C(C)C 775407846 GRVUYNHGKAOXAF-HNNXBMFYSA-N 241.334 3.661 30 20 BHED C[C@@H]1CCCC[C@@H]1C=NOCCC(F)(F)F 777462825 NLXUSGAWAUUFRZ-NXEZZACHSA-N 237.265 3.768 30 20 BHED CCSCCC=NNc1ccc(F)cc1C 781128780 VCAGNWWQCYSGJZ-UHFFFAOYSA-N 240.347 3.675 30 20 BHED CC(=NNc1ncccc1C)c1ccccc1C 790193192 XOASDSUVESOHPD-UHFFFAOYSA-N 239.322 3.535 30 20 BHED CCCCC(CC)=NN[C@H](C)C(C)(C)C 793114783 JFHQSEOCJKEYED-LLVKDONJSA-N 212.381 3.967 30 20 BHED Clc1cccc2c1CCC2=NOC1CCC1 812235997 FQOCDBZNNNZBLE-UHFFFAOYSA-N 235.714 3.559 30 20 BHED C[C@H](C=NNc1ccnc(F)c1)C1CCCCC1 814902763 UTTRTKDBTRBSEN-LLVKDONJSA-N 249.333 3.835 30 20 BHED CC(C)c1ccc(NN=C[C@@H]2C[C@@H]2C)cc1 835018372 MRACLPYPTHAYIJ-AAEUAGOBSA-N 216.328 3.864 30 20 BHED N#CC1(CCOC(=O)CCC2CC2)CCCCC1 840232000 UDQNRYOYSXMWPK-UHFFFAOYSA-N 249.354 3.584 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1O 841749997 RYURQZRGYNRGKQ-ZJUUUORDSA-N 239.746 3.661 30 20 BHED C=CCC[C@H](C)Nc1ccc2oc(CO)cc2c1 895169347 OUWUEXGNVSOGCV-NSHDSACASA-N 245.322 3.692 30 20 BHED FC(F)(F)CCON=C1CC2(CCCC2)C1 901222949 WECQMFXHJCFGGN-UHFFFAOYSA-N 235.249 3.666 30 20 BHED CCCCNN=Cc1ccc(C(C)C)cc1 915965858 CXIOMLNPGYEOHC-UHFFFAOYSA-N 218.344 3.534 30 20 BHED Oc1ccc(Cl)cc1/C=N\[C@H]1C=CCCC1 1332223935 OJZBZUDNSDRTBG-ZENNRRHLSA-N 235.714 3.573 30 20 BHED Cc1cc(C#N)ccc1CN1[C@@H](C)CCC1(C)C 1460232865 WTDPIFWFVUKGOX-ZDUSSCGKSA-N 242.366 3.630 30 20 BHED C[C@@H]1CCCC[C@H]1CN1CCCC(C)(C)[C@@H]1C#N 1617735178 KWJKMAVKTAVNET-ILXRZTDVSA-N 248.414 3.827 30 20 BHED CN(CC(C)(C)C)c1cc(Cl)ccc1C#N 62790069 ZFKIBYDGPGNWPH-UHFFFAOYSA-N 236.746 3.694 30 20 BHED C#CCCNc1ccc2c(c1)Cc1ccccc1-2 70160797 CXTPNCLDANEPQJ-UHFFFAOYSA-N 233.314 3.693 30 20 BHED CCN(CCCC(C)(C)C#N)C1CCCCC1 87608429 DFTAHMJYKMLSBD-UHFFFAOYSA-N 236.403 3.971 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)C1CCCCC1 126668614 KZVBZCBIVDQNAM-OLZOCXBDSA-N 209.377 3.900 30 20 BHED C=CCCCCCN(C)C(=O)C1CCCCC1 156781736 VWLXREHXHKDRFL-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C=CCCN[C@H](C)c1cc2cccc(OC)c2o1 168685253 GYNJVRYSJIIPMM-LLVKDONJSA-N 245.322 3.668 30 20 BHED CCCCCCCC(=O)N1CC[C@@H](C)[C@@H]1C 177145749 HCXJCNPEGGVITJ-OLZOCXBDSA-N 225.376 3.604 30 20 BHED C#CCCCCC(=O)N[C@H](C)CCCCCC 179694291 FMYLUBXCBRQGMH-CQSZACIVSA-N 237.387 3.655 30 20 BHED Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)c(C)c1 193108646 HWBXOHQVUORKRM-KBPBESRZSA-N 228.339 3.798 30 20 BHED C=CCCCCCn1ccnc1C(C)C 194360348 CBMKBCCTUYHSBD-UHFFFAOYSA-N 206.333 3.753 30 20 BHED CCCCCCCCC(=O)OCc1cccnc1 231173212 JGUBTEHTHZTOAW-UHFFFAOYSA-N 249.354 3.875 30 20 BHED C#CCCCN[C@@H]1CCC[C@@H](CC(C)C)C1 232610696 NEYGCAGIBHFZOH-LSDHHAIUSA-N 221.388 3.594 30 20 BHED C=CCCCCNCc1cscc1Cl 308725320 GGVGUQFQFMCWHJ-UHFFFAOYSA-N 229.776 3.847 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H](C)CCC1CC1 308818856 BIGVGKSNEMLFDQ-AVGNSLFASA-N 209.377 3.755 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H](CC)CC(F)(F)F 309716589 TYOQXHSPXUGWKJ-HBNTYKKESA-N 237.309 3.908 30 20 BHED C[C@H](Sc1ccc(C#N)cc1)c1cccnc1 335910287 IQETXXMZUGYLLU-NSHDSACASA-N 240.331 3.807 30 20 BHED C=CCCCCN[C@H]1CCc2c(F)cccc21 379752295 OKIGCJCHZMREAM-HNNXBMFYSA-N 233.330 3.759 30 20 BHED C=CCCCCCCN[C@H]1CCO[C@@H](CC)C1 383781805 PGEOZQQRLGURMO-GJZGRUSLSA-N 239.403 3.670 30 20 BHED CC[C@H]1[C@H](C)CCN1CCCCC(C)(C)C#N 384285711 MLALGUWHHGVNOF-KGLIPLIRSA-N 236.403 3.827 30 20 BHED CCCCCCC[C@@H](C)NC[C@@]1(C)CCOC1 397348534 GBTSWHHNKBHYHN-HUUCEWRRSA-N 241.419 3.752 30 20 BHED CC1(C)CC(N[C@@H](CCC#N)c2ccccc2)C1 433297528 WNPQMYQJFUHZMP-HNNXBMFYSA-N 242.366 3.810 30 20 BHED C=CCC[C@H](C)N[C@H]1CCOc2c(F)cccc21 443229828 ZUZBBBSPBMIAKR-FZMZJTMJSA-N 249.329 3.594 30 20 BHED CC(C)=CCSc1cc(C#N)ccc1[N+](=O)[O-] 447695861 ZBPYTRIPARGWLI-UHFFFAOYSA-N 248.307 3.525 30 20 BHED C=C(CC)CNC/C=C\c1ccc(F)c(F)c1 449733755 JPOBVUWLTJRKOF-PLNGDYQASA-N 237.293 3.534 30 20 BHED CC(C)=CCSCc1cccc(F)c1C#N 488283925 YCKUKXJGHJTOAH-UHFFFAOYSA-N 235.327 3.897 30 20 BHED C=CCN(C)[C@H](C)CCSc1ccccc1 494689422 HRUKESFJXYPYAE-CYBMUJFWSA-N 235.396 3.675 30 20 BHED C=C(C)CCSc1ncnc2sccc12 505425589 BESDXAWRQQCPFM-UHFFFAOYSA-N 236.365 3.750 30 20 BHED C=C(C)CCN1CC[C@@H](c2ccccc2)[C@H]1C 509331293 LWKYSUXTKRZBTH-GDBMZVCRSA-N 229.367 3.831 30 20 BHED C=C(CC)CNCc1ccsc1C(F)(F)F 527718516 UCAYKFVTHLMTKH-UHFFFAOYSA-N 249.301 3.823 30 20 BHED C=CCCCCCN1CC[C@@H](c2cccnc2)C1 567585152 QZMYFHQVQONBKS-MRXNPFEDSA-N 244.382 3.617 30 20 BHED C[C@H](CCC#N)CN1CCC[C@@H]1c1cccs1 602432011 HOJPCNUFKOSFOB-CHWSQXEVSA-N 248.395 3.825 30 20 BHED C=CCCCN1C[C@@H](c2ccccc2)C[C@H]1C 605150981 OPHSOIDGKKVBOM-ZBFHGGJFSA-N 229.367 3.831 30 20 BHED C=C[C@H](C)N[C@H](C)c1cc2ccncc2s1 657903565 HORHZPQFXUATKL-VHSXEESVSA-N 232.352 3.521 30 20 BHED CC1(C)CCN(CC2(CC#N)CC2)CC(C)(C)C1 699702913 LDMDHZOVUCBSRC-UHFFFAOYSA-N 248.414 3.828 30 20 BHED Cc1cccc(C=NNc2ccc(C#N)cc2)c1C 731150915 GHOLMPMZOUQPNK-UHFFFAOYSA-N 249.317 3.621 30 20 BHED CCCCCCCOC(=O)c1cc(O)cs1 732353227 OLMFDCGSUXNQNU-UHFFFAOYSA-N 242.340 3.581 30 20 BHED CC1(C)CCCC[C@H]1NN=Cc1ccccc1F 773126569 UUZQZXZLAZSASS-CQSZACIVSA-N 248.345 3.718 30 20 BHED C=C(Cl)CN1CC[C@H](c2cccc(C)c2)C1 784481789 REGNIRGRUPCLJY-AWEZNQCLSA-N 235.758 3.537 30 20 BHED CCC1CCC(=NNc2ncccc2C)CC1 790188489 ZRWCBYHKGXKYIG-UHFFFAOYSA-N 231.343 3.758 30 20 BHED COCC[C@@H]1CCCC1=NNc1ccc(C)cc1 799863902 FCYHFEVJCGRHSN-ZDUSSCGKSA-N 246.354 3.600 30 20 BHED CCCC[C@@H](C)C(C)=NOCc1cccnc1 807979752 XNPDUWDVODZTCB-GFCCVEGCSA-N 234.343 3.800 30 20 BHED N#C[C@@H](OC(=O)CCCC1CC1)C1CCCCC1 812600826 FDRVXGQJPJSQLN-CQSZACIVSA-N 249.354 3.582 30 20 BHED CC[C@H](C)CC=NNc1oc(C(C)C)nc1C#N 834949158 HIEHJMBJDSIURJ-JTQLQIEISA-N 248.330 3.504 30 20 BHED C=C(CC)CNC(=O)C(C)(C)C1CCCCC1 837098767 BZWGDBWFZUZSLJ-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=C[C@H](C)ON=C[C@H]1C(C)=CCC[C@H]1C 844621346 GNVXVMRVRXFLLQ-AGIUHOORSA-N 207.317 3.556 30 20 BHED CC(C)c1cccc(CON=C2CCC2)c1 853670445 XHWIEOQZEBYGPQ-UHFFFAOYSA-N 217.312 3.867 30 20 BHED CCC(=NNc1ccccn1)c1ccc(C)cc1 916273596 MKMHOTLAABTMFQ-UHFFFAOYSA-N 239.322 3.616 30 20 BHED Cc1ccsc1C=NN[C@H](C)c1ccccc1 920385822 IBBFUSGPIFFRER-GFCCVEGCSA-N 244.363 3.741 30 20 BHED CC(C)(C)ON=Cc1ccc(F)c(Cl)c1 1319802331 AQZMTOYSWVGMOW-UHFFFAOYSA-N 229.682 3.628 30 20 BHED C[C@H](C=NOC(C)(C)C)c1ccccc1 1324557227 BWHTZNOVNCHDFB-LLVKDONJSA-N 205.301 3.591 30 20 BHED CCCCCCCSCCn1cccn1 1325326302 PWRLIDVVPJGVQR-UHFFFAOYSA-N 226.389 3.587 30 20 BHED N#CCc1ccc(NCc2ccc(F)cc2)cc1 35046233 JHNFIVWANZBYDX-UHFFFAOYSA-N 240.281 3.504 30 20 BHED C=C(Br)COc1ccc(Cl)cc1 70235995 XSDBAPITNYYTGP-UHFFFAOYSA-N 247.519 3.627 30 20 BHED Cc1cccc(N(C)CCCC(C)(C)C#N)c1 87608672 VTXPNQRKWNLCPB-UHFFFAOYSA-N 230.355 3.761 30 20 BHED C#Cc1ccccc1-c1ccccc1C=C 98181102 AUDCUAYMHBRQKZ-UHFFFAOYSA-N 204.272 3.978 30 20 BHED C=CCC[C@H](CCC)N[C@@H](C)c1ccccn1 152421500 GQHVJYGJBVWXNY-KBPBESRZSA-N 232.371 3.867 30 20 BHED C=C[C@H](C)NC(=O)[C@H](CC1CCCC1)C(C)C 155860523 MOIOVONIBYQFEK-GXTWGEPZSA-N 237.387 3.530 30 20 BHED C[C@H](N[C@@H]1CCC[C@H](C#N)C1)C1CCCCC1 185841328 PWYOCNNMPFSNNQ-KCQAQPDRSA-N 234.387 3.627 30 20 BHED C=CC[C@H](C)N[C@H]1CCC[C@@H](C2CC2)C1 222078173 HYCBRRJKFKXKDD-YUTCNCBUSA-N 207.361 3.509 30 20 BHED C=C(C)CNc1cc(C)cc(Br)c1 230224743 NDDRIRVRYBHCTG-UHFFFAOYSA-N 240.144 3.746 30 20 BHED N#CCCNCc1ccc(C2CCCCC2)cc1 258879746 HYFSTRZVRCKZQR-UHFFFAOYSA-N 242.366 3.738 30 20 BHED C=CCCC(=O)N[C@H](C)c1cc(C)sc1C 263650854 GZDLNLSEYRXTJV-SNVBAGLBSA-N 237.368 3.508 30 20 BHED C=CC[C@@H](C)Nc1nc(C(F)(F)F)cs1 269358979 MDKJOCIXZWUGGH-ZCFIWIBFSA-N 236.262 3.538 30 20 BHED COCC[C@@H](C)S[C@@H](C)c1cccc(C#N)c1 276267383 YVCOGVACEXDVQH-NEPJUHHUSA-N 249.379 3.777 30 20 BHED C=CC(C)(C)C(=O)Nc1cccc(Cl)c1F 297958174 WXEYMCBWTFWSNT-UHFFFAOYSA-N 241.693 3.630 30 20 BHED C=CC1CCN(c2nc3ccccc3s2)CC1 301255710 NRIKBJPFAOVKDF-UHFFFAOYSA-N 244.363 3.699 30 20 BHED C[C@H](CCC(C)(C)C)Nc1ncccc1C#N 301319189 DLPUPWOPRGUZBX-LLVKDONJSA-N 231.343 3.580 30 20 BHED C[C@H]1C[C@@H](C)CN(c2c(Cl)cccc2C#N)C1 303415572 BEXGWOIKKDAMQS-PHIMTYICSA-N 248.757 3.694 30 20 BHED C=CCCSc1nc2ccccc2n1CC 303811783 NSHRTXPBQYEONU-UHFFFAOYSA-N 232.352 3.724 30 20 BHED C=C(CC)CSCc1ncc(Cl)s1 308296746 KGPOWHIMGHCGQU-UHFFFAOYSA-N 233.789 3.996 30 20 BHED C=CC[C@@H](C)N[C@@H](C)C1CCC(F)(F)CC1 309413017 IVJZZNMKVMHLME-MNOVXSKESA-N 231.330 3.755 30 20 BHED Cc1c2c(nc3sccc13)CC[C@](C)(C#N)C2 334597259 JGPCTCXSEFCPTF-AWEZNQCLSA-N 242.347 3.623 30 20 BHED Cc1c(Cl)cnc(N[C@H]2CCC[C@H]2C)c1C#N 336919186 FDYCECXDUBQBFZ-PELKAZGASA-N 249.745 3.516 30 20 BHED C=C(C)CCN(CC)Cc1cccs1 352091301 IWHBQUCZRNOMFG-UHFFFAOYSA-N 209.358 3.536 30 20 BHED C=CCOc1cccc(CN2[C@@H](C)CC[C@@H]2C)c1 354996444 WRRGZSDVTUIKNT-KBPBESRZSA-N 245.366 3.624 30 20 BHED CCCCCCCC(=O)N1[C@H]2C=CC[C@H]1CC2 378236395 CYJUFUWXWIAWJN-KBPBESRZSA-N 235.371 3.666 30 20 BHED C=CC[C@H](C)N[C@H](C)[C@@H]1CC2CCC1CC2 382195513 RLDJFPKSZRLTHU-DXGYCSDQSA-N 221.388 3.755 30 20 BHED CCCCCCC[C@H](C)NCCC1(O)CCC1 397638738 QSPUEPIHDALMHJ-AWEZNQCLSA-N 241.419 3.630 30 20 BHED CC(C)c1ccc(CN(C)[C@@H](C)CCC#N)cc1 411162926 YRQQZVRZXCLICO-AWEZNQCLSA-N 244.382 3.934 30 20 BHED C=CCOCCS[C@@H](C)c1ccccc1 419347983 AGRANQLZKKACMU-LBPRGKRZSA-N 222.353 3.683 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC(C)(C)C1 424796162 HAQKXMNEYULUCJ-GFCCVEGCSA-N 237.387 3.674 30 20 BHED CCC(CC)SCc1cc(C#N)ccc1OC 435146791 PNBNATDVXPTPLW-UHFFFAOYSA-N 249.379 3.989 30 20 BHED CC[C@H]1CCC[C@H]1CNCC(C)(C)CCC#N 449432299 GSUWKZNVNDKDOQ-KBPBESRZSA-N 236.403 3.732 30 20 BHED C=CC[C@H](C)[C@@H](C)NC[C@@H]1CCCC1(F)F 449493044 KMLWARIMXOFMEG-TUAOUCFPSA-N 231.330 3.612 30 20 BHED Cc1cccc(C)c1[C@@H](C)NCC1(C#N)CCC1 450747903 RBVFZAVIQDMMGE-CQSZACIVSA-N 242.366 3.648 30 20 BHED C=C1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 467193585 ZTDQOMUVPNYJSU-HNNXBMFYSA-N 249.398 3.520 30 20 BHED CCC[C@@H]1CCc2ccccc2N1CCCC#N 470018605 QBEMNLCJHXOQHQ-OAHLLOKOSA-N 242.366 3.912 30 20 BHED C=CCSCc1ccc(OC)c(Cl)c1 479122111 QITQERLXPULBOQ-UHFFFAOYSA-N 228.744 3.768 30 20 BHED C=C[C@H]1CCCCN1CCCCOC(C)(C)C 489401926 JKQARJINUOKGRO-AWEZNQCLSA-N 239.403 3.622 30 20 BHED C=CCCCCCN(C)Cc1occc1C 538727936 JCDWDBSTKBDKEX-UHFFFAOYSA-N 221.344 3.766 30 20 BHED CC[C@H](NCC#Cc1ccc(F)cc1)C(C)(C)C 539493722 VVSVCZBBZCDWKS-HNNXBMFYSA-N 247.357 3.592 30 20 BHED CC1(C)CCC[C@H](CN2CCC(CC#N)CC2)C1 541921217 YCGOATUGCOVDNV-HNNXBMFYSA-N 248.414 3.828 30 20 BHED N#CC1(CCN2CCC3(CC2)CC3)CCCCC1 591022113 QENAJHSCMJBMEC-UHFFFAOYSA-N 246.398 3.727 30 20 BHED N#CC1(CN2CCC[C@H](C3CCCCC3)C2)CC1 595880822 PEFYOWQNWUGSJH-HNNXBMFYSA-N 246.398 3.582 30 20 BHED C=C[C@@](C)(CC)c1nc(-c2cscc2C)no1 685375961 BJUYSCDXFWBUAY-ZDUSSCGKSA-N 248.351 3.960 30 20 BHED C[C@H](C=Nn1cnc2ccccc21)c1ccccc1 725849471 IZVQMBQYKFZNML-CYBMUJFWSA-N 249.317 3.674 30 20 BHED Cc1ccc(C=Nn2cnc3ccccc32)c(C)c1 725849737 RACUSHMGUFKALT-UHFFFAOYSA-N 249.317 3.535 30 20 BHED C#CCCCNc1ncc(-c2ccccc2)s1 750030013 SPYPCGTZFJPZQW-UHFFFAOYSA-N 242.347 3.635 30 20 BHED CO[C@@H](C)C(C)=NNc1cccc2ccccc12 763169507 VZLMYTLIFIUHNS-LBPRGKRZSA-N 242.322 3.663 30 20 BHED C[C@@H]1CCCC1=NN[C@H]1CCCCC1(C)C 773123078 COIVLUZFBWMHDM-YPMHNXCESA-N 222.376 3.721 30 20 BHED C=C(CC)COC(=O)c1c(F)cccc1Cl 773435211 CULCONIFIBKTRQ-UHFFFAOYSA-N 242.677 3.602 30 20 BHED CC1(C)CCC[C@H]1NN=C1CCC12CCCC2 782287739 NYXKDBOCYIUFCZ-GFCCVEGCSA-N 234.387 3.865 30 20 BHED Clc1ccc(C=NNC2CCCCC2)cc1 786041308 ZQJRCSXFTPVRKX-UHFFFAOYSA-N 236.746 3.596 30 20 BHED CC(C)(C)CC(=NOCC(F)(F)F)C1CC1 787161891 GKDCWJMLZKCDMK-UHFFFAOYSA-N 237.265 3.768 30 20 BHED CC[C@H](C)NN=C1C[C@@H](c2ccccc2)C1(C)C 790183687 UVQABODNFNVPOH-JSGCOSHPSA-N 244.382 3.944 30 20 BHED CC[C@@H]1CCCC(=NN[C@H](C)C(C)(C)C)C1 793115950 USFPIBAYUGRPNH-VXGBXAGGSA-N 224.392 3.967 30 20 BHED C=CCN(C(=O)c1cc(C(C)C)oc1C)C(C)C 796137573 JUHPWAOPHAEOKL-UHFFFAOYSA-N 249.354 3.748 30 20 BHED CC1(C)CCCC(=NNCC2CCCC2)C1 808006433 WBQMAIDFYXYIIM-UHFFFAOYSA-N 222.376 3.722 30 20 BHED C=CCCCCCCCN[C@@H]1CC[C@@H](C#N)C1 810242774 HIOIBCBIMMDSPS-HUUCEWRRSA-N 234.387 3.795 30 20 BHED CC(=NOC/C=C/Cl)c1ccc(C)cc1C 811671167 AYHDEHGSYMJKIT-UXRYSFGWSA-N 237.730 3.797 30 20 BHED CCC(=NOCC1CC1)c1cc(C)ccc1OC 814241363 JTTZECBPVPZNIL-UHFFFAOYSA-N 247.338 3.544 30 20 BHED C[C@H](NN=C1CC[C@@H](C)C1)c1ccccc1 814815794 HCYSSCXHUSNLCU-NEPJUHHUSA-N 216.328 3.513 30 20 BHED CC(C)CON=C1CC[C@H](c2ccccc2)C1 814884132 PBGCSKHPQNNCKJ-AWEZNQCLSA-N 231.339 3.983 30 20 BHED C=CCCC(CCC)=NNc1cccc(F)n1 814930474 XOFNAFACJCYKLV-UHFFFAOYSA-N 235.306 3.755 30 20 BHED CC(C)(C)[C@@H]1CC(=NOC/C=C/Cl)CS1 814934094 LIHLJPSXEVZWMA-QTVQRQNKSA-N 247.791 3.663 30 20 BHED C[C@@H]1CCCC(=NNc2ccnc(Cl)c2)C1 853394804 ZRDMGJGWSHAUAM-SECBINFHSA-N 237.734 3.713 30 20 BHED C=CC[C@H]1CCCN(C(=O)C2CCC(=C)CC2)C1 898671572 UEWFDRMHHQKBOB-AWEZNQCLSA-N 247.382 3.548 30 20 BHED CS[C@H]1CCCC(=NOC2CCCC2)C1 901210130 FDHLXCVPDWFOHV-LBPRGKRZSA-N 227.373 3.607 30 20 BHED CC(C)c1cnc(-c2ccsc2C#N)s1 904895190 OISHSFQXSSGIBD-UHFFFAOYSA-N 234.349 3.867 30 20 BHED CCOc1cccc(/C=N/CCCC(C)C)c1O 914558312 SSGITNJCMNBHAF-LFIBNONCSA-N 249.354 3.646 30 20 BHED CCCCCCCOC(=O)/C=C/c1ccco1 918493507 ZPKDLRLEUNKZAD-MDZDMXLPSA-N 236.311 3.806 30 20 BHED CC1CCC(=NN[C@@H](C)c2ccccc2)CC1 920385604 DMJHYFJKDMHTLR-ABLWVSNPSA-N 230.355 3.903 30 20 BHED C=CCN(CCCCC1(C#N)CCC1)C(C)C 929292026 FRUNNPMHSDAHRO-UHFFFAOYSA-N 234.387 3.747 30 20 BHED C[C@H](c1ccccc1Cl)N1CCC[C@@H](C#N)C1 932159074 UHXGNHQDESLOCR-NEPJUHHUSA-N 248.757 3.637 30 20 BHED C=C[C@H](CC)CC(=O)Nc1cscc1C 935023503 KYRUKZMIAYZPCQ-SNVBAGLBSA-N 223.341 3.597 30 20 BHED C=C(CC)C(=O)Nc1cc(CC)ccc1CC 1548660302 YZZDCOGTRWYQFH-UHFFFAOYSA-N 231.339 3.716 30 20 BHED Cc1ccc(C)c(/C=C\C(=O)c2cccnc2)c1 33472176 YTEMCSSISGARGN-FPLPWBNLSA-N 237.302 3.595 30 20 BHED Cc1cc(C)cc(Nc2nc(C)ccc2C#N)c1 43399060 SDZXHKKYHIJECA-UHFFFAOYSA-N 237.306 3.622 30 20 BHED C#Cc1cccc(NCc2ccc(F)c(C)c2)c1 50544473 BTKUZDPZEAOLFP-UHFFFAOYSA-N 239.293 3.728 30 20 BHED C[C@H](C=O)c1ccc(-c2ccccc2)cc1 84324871 LRLLFQACEIZPCD-GFCCVEGCSA-N 210.276 3.656 30 20 BHED CC1(C)C(CNc2cccc(F)c2C#N)C1(C)C 93406696 LUQHGEYGRRFTKM-UHFFFAOYSA-N 246.329 3.791 30 20 BHED CCCCCCCC(=O)Nc1ccc(C)cc1O 103522269 UOWVBZNRZIAPNN-UHFFFAOYSA-N 249.354 4.000 30 20 BHED C=C[C@@H](C)NCc1ccc(C(C)(C)C)cc1 130444305 CYMMYNPTMVOBLZ-GFCCVEGCSA-N 217.356 3.648 30 20 BHED C=C(C)CN1CC[C@H](CSc2ccccc2)C1 174142611 ATAWRZNFHZOLOJ-AWEZNQCLSA-N 247.407 3.677 30 20 BHED C=CCC(CC=C)C(=O)NC1[C@H](C)CCC[C@H]1C 177147043 OVNCKHRJQZZVAP-CHWSQXEVSA-N 249.398 3.696 30 20 BHED C=CCCCN(C)[C@@H](C)c1cccc(C#N)c1 187697273 YZNGIADSAOBFCM-ZDUSSCGKSA-N 228.339 3.517 30 20 BHED CC[C@@H](C#N)Sc1nc(-c2ccccc2)co1 195100196 IIUTUPSHGFOJEQ-NSHDSACASA-N 244.319 3.736 30 20 BHED CC(C)[C@@H](C)SCCOc1ccc(C#N)cc1 231193347 DDLWNJAIKSHCLD-GFCCVEGCSA-N 249.379 3.715 30 20 BHED N#Cc1ccc(N[C@H](c2ccccc2)C2CC2)cn1 267367895 JFELTQHKFCNVGF-MRXNPFEDSA-N 249.317 3.516 30 20 BHED C=CCN(CC=C)[C@H](C)c1ncc(C(C)(C)C)o1 297705618 BAXXKKVAPVWMRB-GFCCVEGCSA-N 248.370 3.707 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)C1CCCC1 308821711 CGWFROIDOYXHFP-CHWSQXEVSA-N 209.377 3.900 30 20 BHED C=CCC[C@@H](NCCCC)c1ccco1 309172593 LRYMDLXDHSJMFZ-GFCCVEGCSA-N 207.317 3.677 30 20 BHED C=CC[C@H](C)Nc1nc(CC)nc2sccc12 340047273 AWHWPULMQAAJTF-VIFPVBQESA-N 247.367 3.630 30 20 BHED C=CCCNC(C)(C)c1ccc(CC)cc1 390677233 YDQHZEHFWINZIF-UHFFFAOYSA-N 217.356 3.650 30 20 BHED C=CCCCN1[C@H](C)C[C@@H]2CCCC[C@H]21 441472943 YJTJTKJKPHSZGX-HZSPNIEDSA-N 207.361 3.606 30 20 BHED Cc1cc(CN[C@@H](C)CCC(C)C)ccc1C#N 443991406 WALOUROJVWRIOC-AWEZNQCLSA-N 244.382 3.781 30 20 BHED CC(C)(C#N)CCCN1CCC[C@H]1C(C)(C)C 472231445 GCQKUMLAWXTDHR-ZDUSSCGKSA-N 236.403 3.827 30 20 BHED C=CCC[C@H](O)CN(C)c1cccc(C(C)C)c1 472771446 NNQKFORXYDTLAQ-INIZCTEOSA-N 247.382 3.573 30 20 BHED C=CCCC[C@H](C)NC(=O)c1ccccc1CC 537225278 OMTKZCQLHIXHPW-ZDUSSCGKSA-N 245.366 3.724 30 20 BHED C=CCCNC1(Cc2ccccc2)CCCC1 541701797 PKNZLWPSYAKYAM-UHFFFAOYSA-N 229.367 3.708 30 20 BHED C=CCC[C@H](C)Nc1cnn(CC(C)C)c1C 543625735 NZJWGTFDTPIKLE-LBPRGKRZSA-N 235.375 3.614 30 20 BHED C=CCCCC[C@H](C)NC1(CF)CCC1 583565992 YEDUWHNFWZFBND-LBPRGKRZSA-N 213.340 3.603 30 20 BHED CC[C@@H](N[C@@]1(C)CC1(C)C)c1ccc(C#N)cc1 595100797 JAKAPLIIYMYOEU-ZBFHGGJFSA-N 242.366 3.788 30 20 BHED C=CCc1cccc(F)c1OCC1(CC#N)CC1 596300233 AMLQKKPDBCCBMO-UHFFFAOYSA-N 245.297 3.627 30 20 BHED C[C@H]1CCCC[C@@H]1Sc1ccc(C#N)cn1 600520897 HPBFYJWWGGNIKS-JQWIXIFHSA-N 232.352 3.624 30 20 BHED C=CCCC[C@@H](C)NC(=O)N(CC)[C@H](C)CC 664590082 REUVHZASNYQGBH-CHWSQXEVSA-N 240.391 3.561 30 20 BHED C[C@@H]1C[C@H]1C=NNc1ccc(C(F)(F)F)cc1 746576054 KQFHPMAEEHVMMC-BDAKNGLRSA-N 242.244 3.759 30 20 BHED Cc1cc(F)ccc1NN=Cc1ccc(F)cc1 750938667 LPQOOQUXXFCRDI-UHFFFAOYSA-N 246.260 3.719 30 20 BHED CCC[C@H](C=NOCC(F)F)c1ccccc1 758909145 AWUKUTBDKXAKRD-GFCCVEGCSA-N 241.281 3.838 30 20 BHED CC(C)CC=NNc1c(F)cccc1Cl 769826358 FGWJLDXRLPIMJR-UHFFFAOYSA-N 228.698 3.923 30 20 BHED CC(CCC(C)C)=NNc1ncccc1C 790193258 ABFXMKUNWLDLIT-UHFFFAOYSA-N 219.332 3.614 30 20 BHED CCCC[C@H](C)C(C)=NNc1nc(C)cc(C)n1 807939990 RRJHSPIPXFXATM-JTQLQIEISA-N 248.374 3.708 30 20 BHED C[C@@H]1CCC[C@@H](C=NOC/C=C/Cl)C1 811671731 KEIUBRVLDKVMBI-GRPBYPBYSA-N 215.724 3.568 30 20 BHED C=CC(C)(C)C(=O)O[C@H](C)c1ccc(OC)cc1 835105248 JXMXFZVJPKXHJE-LLVKDONJSA-N 248.322 3.512 30 20 BHED C=CCC(CC=C)C(=O)OC[C@H](C)CC(F)F 842440869 XYVSIUYNFKIRHD-SNVBAGLBSA-N 246.297 3.589 30 20 BHED C=C[C@H](C)ON=C(C)CCCC(F)(F)F 844626208 RPIJDZAJGFHNBP-VIFPVBQESA-N 223.238 3.686 30 20 BHED CCc1ccccc1NN=Cc1cccs1 915051748 PWFRHJNGGUEIDI-UHFFFAOYSA-N 230.336 3.757 30 20 BHED CC(=NNc1ccccc1)c1c(F)cccc1F 916245805 BRLWOWCWEXFTMV-UHFFFAOYSA-N 246.260 3.801 30 20 BHED Fc1cccc2c1CCC2=NNc1ccccc1 921253650 OLCMKXGMSJIFJV-UHFFFAOYSA-N 240.281 3.588 30 20 BHED Fc1ccc(CCC=NOC/C=C\Cl)cc1 1343572196 MQUNHGCORZOMCT-ZZJQANKHSA-N 241.693 3.513 30 20 BHED CC(C)[C@H]1[C@H](C(C)C)CN1C[C@H](C)CCC#N 1621334421 MKIUCNPPNFOSET-ILXRZTDVSA-N 236.403 3.539 30 20 BHED CC[C@@H](C)CNc1cccc(OCCCC#N)c1 37777471 XEIUIPBDQNIDCK-CYBMUJFWSA-N 246.354 3.827 30 20 BHED C=CCN(CC=C(C)C)Cc1cccs1 50274356 ULGDLERIJCWRBV-UHFFFAOYSA-N 221.369 3.702 30 20 BHED CC[C@H]1c2ccsc2CCN1CCCCC#N 57626285 MWTVLODBDIELJY-ZDUSSCGKSA-N 248.395 3.751 30 20 BHED Cc1ccc(-c2ccc(OCCC#N)cc2)cc1 58800935 HIYSQNXYJRKCLB-UHFFFAOYSA-N 237.302 3.955 30 20 BHED C[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)CC1 78535529 AXFRJTWKXSNTKJ-NSHDSACASA-N 248.757 3.838 30 20 BHED CC[C@H]1CCCC[C@@H]1NCCCC(C)(C)C#N 87597629 LEVUOKJFUAYFEB-KBPBESRZSA-N 236.403 3.875 30 20 BHED CC[C@@H]1CCC[C@@H](Nc2snc(C)c2C#N)C1 92912588 VCZFVMPKABEBDU-GHMZBOCLSA-N 249.383 3.704 30 20 BHED CCCCCCNc1ccc(Cl)c(C#N)n1 111217866 JHHPTXFDTQKEMM-UHFFFAOYSA-N 237.734 3.599 30 20 BHED C=CCSCCNCC[C@H](C)c1ccccc1 219396846 IHCIJYPGCXZFKQ-AWEZNQCLSA-N 249.423 3.689 30 20 BHED C=CC[C@H](C)N[C@@H]1CCC[C@H](C(C)C)C1 300235952 HROAADOLWJDUNP-MELADBBJSA-N 209.377 3.755 30 20 BHED C[C@H]1CCN(CCC(C)(C)C#N)c2ccccc21 305463358 FTYOKTYZSROYMX-ZDUSSCGKSA-N 242.366 3.940 30 20 BHED C[C@@H]1CCCC[C@@H]1Nc1ncc(C#N)cc1Cl 339239449 WRRNTUIQQDJXMJ-SKDRFNHKSA-N 249.745 3.597 30 20 BHED N#CC1(CSCc2ccc(Cl)cc2)CC1 347024069 SQSPKLOPUDSGRU-UHFFFAOYSA-N 237.755 3.877 30 20 BHED CCCCSCCCC1(C#N)CCOCC1 356945349 IIXQBNLLBWNUJE-UHFFFAOYSA-N 241.400 3.620 30 20 BHED CC(C)CN(CCC#N)C[C@H](C)c1ccccc1 384600210 NOZUFADSQHHWFD-HNNXBMFYSA-N 244.382 3.662 30 20 BHED C[C@@H](CC1CCCCC1)Nc1cnccc1C#N 447668503 GSUAYQDLXYFVHF-LBPRGKRZSA-N 243.354 3.724 30 20 BHED C=CC(C)(C)c1nc(-c2ccc(C)c(F)c2)no1 453026259 RGZGFDOAWGODGF-UHFFFAOYSA-N 246.285 3.648 30 20 BHED C=CCC[C@@H](CCC)NC1CCC(OC)CC1 459680538 PPFOHOILNBDCMH-WLYUNCDWSA-N 239.403 3.669 30 20 BHED C=CCCN(C)Cc1cc2ccccc2s1 467292474 BILHJBWQDVVAES-UHFFFAOYSA-N 231.364 3.909 30 20 BHED C=C(CC)CN(CC)[C@@H](C)Cc1ccsc1 495248181 LQGJECMEHHYKAN-ZDUSSCGKSA-N 237.412 3.967 30 20 BHED C=C(C)CCN(C)Cc1ccccc1SC 510814629 XUTZXRSADLRTJT-UHFFFAOYSA-N 235.396 3.807 30 20 BHED Cc1ccc(Nc2ncc(C#N)cc2Cl)cc1 513614842 LAUDFRHRUYPCTG-UHFFFAOYSA-N 243.697 3.659 30 20 BHED C=CCC[C@@H](Nc1cnn(CC(C)C)c1)C1CC1 540748613 SOVPMZLWWTXBSY-OAHLLOKOSA-N 247.386 3.696 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@H]1CCC(C)(C)C1 543796821 PEXZHQYHVOOZMU-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C=CCN(Cc1ccccc1)[C@H](C)CCC 579628956 KTHRSUFUYHFSPD-CQSZACIVSA-N 217.356 3.863 30 20 BHED CC[C@H](C#N)c1ccc(-c2ccnn2CC)cc1 592987319 YCRUSKIQRAFJRR-GFCCVEGCSA-N 239.322 3.587 30 20 BHED C=CCN(CC=C)C(=O)c1sccc1C(C)C 619888791 GUFQBGMVHSWYDF-UHFFFAOYSA-N 249.379 3.686 30 20 BHED C=CCN(CC=C)C(=O)CCCC[C@H](C)CC 680021577 REJRXAVHPDKAGV-CQSZACIVSA-N 237.387 3.794 30 20 BHED CCC(Cc1cccs1)=NNc1ccccn1 730945989 BFUZLMVHLKPPOW-UHFFFAOYSA-N 245.351 3.564 30 20 BHED C#CCCN(Cc1cccc(Cl)c1)C(C)C 752858171 XUTWHCNAGHKMAE-UHFFFAOYSA-N 235.758 3.574 30 20 BHED C=CCC[C@H](CCC)N[C@@H](C)Cc1ccco1 764772071 XOBNXWFLUWBWRO-KBPBESRZSA-N 235.371 3.935 30 20 BHED CC(CC1CCCC1)=NN[C@H]1C[C@H]2CC[C@H]1C2 774596859 MNBWQHUVBIRMSU-KKUMJFAQSA-N 234.387 3.721 30 20 BHED CC(=NNc1ccc(C)cc1)C1CCSCC1 777418202 IFUNVZQKXQWMDN-UHFFFAOYSA-N 248.395 3.926 30 20 BHED CCc1ccccc1CN(CCC#N)CC(C)C 782500591 UUVBYYSYSJXMQV-UHFFFAOYSA-N 244.382 3.621 30 20 BHED CC(C)(C)CCNN=C1CCCCCC1 782903513 WSLKUPDPBYMNGN-UHFFFAOYSA-N 210.365 3.722 30 20 BHED C[C@H](C#N)CNN=C1CCC2(CCCCC2)CC1 786037397 QRVSDTIDBFOJRT-CYBMUJFWSA-N 247.386 3.616 30 20 BHED C#CCCCN1C[C@@H](c2ccc(C)cc2)C[C@H]1C 786124936 KBAXNBDQIKTILL-WBVHZDCISA-N 241.378 3.586 30 20 BHED C#CCC1(c2nc(C(C)(C)C)no2)CCCCC1 788093811 DIXSCWLPWNZSET-UHFFFAOYSA-N 246.354 3.592 30 20 BHED CC[C@@H](C)CON=C(C)[C@@H](OC)c1ccccc1 793160465 UVUAAMYLCRCGGR-IUODEOHRSA-N 249.354 3.813 30 20 BHED C=CCCCCC[C@H](C)NCCc1ccncc1 793531882 KVRRHGGQBNLACG-HNNXBMFYSA-N 246.398 3.739 30 20 BHED C=CCCSCC[C@H]1CC1(Cl)Cl 818153296 RWPCWWQNMCUWOW-QMMMGPOBSA-N 225.184 3.880 30 20 BHED Cc1ccc(N(C)CCC(C)(C)C#N)c(F)c1 839648435 OJTLJASQTTZVHR-UHFFFAOYSA-N 234.318 3.510 30 20 BHED CC(CCCCC#N)=NN[C@@H](C)c1ccccc1 841620678 KRIBIMMTSYBLPV-AWEZNQCLSA-N 243.354 3.797 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc(Cl)cc1O 841749994 RYURQZRGYNRGKQ-NXEZZACHSA-N 239.746 3.661 30 20 BHED Cc1ccc([C@@H](C)NC[C@@H](C)CCC#N)s1 876964647 LXRKFCGELBNUHB-CMPLNLGQSA-N 236.384 3.647 30 20 BHED C=C1CCC(C(=O)N2CCCC[C@H]2C(C)C)CC1 889035452 PCVIGJMOZPDYFW-HNNXBMFYSA-N 249.398 3.770 30 20 BHED C=C[C@H](CC)CC(=O)Nc1ncccc1C(C)C 935052928 SLDWBMOUNGYYRF-GFCCVEGCSA-N 246.354 3.746 30 20 BHED N#Cc1ccc2c(c1)CCCN2CC1CCCC1 1170661371 LAPMDQJJRSLDQT-UHFFFAOYSA-N 240.350 3.501 30 20 BHED O=C(/C=C/c1ccc(Cl)s1)c1cccnc1 14175743 YKSHPVYIFFCLJG-HWKANZROSA-N 249.722 3.693 30 20 BHED CCCC[C@H](C)N[C@H](C)c1cccc(C#N)c1 50887652 DUFBAWRUVHPQDK-QWHCGFSZSA-N 230.355 3.788 30 20 BHED CC1CCC(N(C)c2cccc(F)c2C#N)CC1 60991751 UOECQVBRBHMMMG-UHFFFAOYSA-N 246.329 3.712 30 20 BHED CC(C)CCN(C)c1cc(Cl)ccc1C#N 62789968 YDPWESBFTWCCGJ-UHFFFAOYSA-N 236.746 3.694 30 20 BHED N#Cc1cc(F)c(NC2CCCCC2)c(F)c1 63507739 ITJACFWZLAWVRB-UHFFFAOYSA-N 236.265 3.581 30 20 BHED C=CCCCN[C@H](C)c1ccc(CC)cc1 70591760 ITGYKPURNQFOOH-CYBMUJFWSA-N 217.356 3.866 30 20 BHED C[C@H]1CCCCC[C@H]1NCc1cccc(C#N)c1 88505775 TWZCGNRBIBRQCU-XJKSGUPXSA-N 242.366 3.617 30 20 BHED CCCCCCCCNCc1nc(C)cs1 103325488 JTAJWTWLIYOEIE-UHFFFAOYSA-N 240.416 3.902 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CC12CCCCC2 180629895 JYJBBSALJDQSPO-CQSZACIVSA-N 247.382 3.594 30 20 BHED CC#CCCSCc1cc(-c2ccco2)on1 184931528 BATSVQYQDCXVRU-UHFFFAOYSA-N 247.319 3.581 30 20 BHED CCc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 185723563 WRJCEJHUKGBOMG-DZGCQCFKSA-N 228.339 3.743 30 20 BHED C=CCN(C(=O)C[C@H](C)CC)c1ccccc1 191866146 IGDCYTDRUTZFNT-CYBMUJFWSA-N 231.339 3.642 30 20 BHED Cc1nc(Cl)ccc1N[C@@H]1CCC[C@H](C#N)C1 193479778 AWINNGUDUGKZCQ-WDEREUQCSA-N 249.745 3.538 30 20 BHED CCCN(Cc1ccc(C#N)cc1)[C@@H](C)CC 195003966 WGYUXKGLCCEEML-ZDUSSCGKSA-N 230.355 3.569 30 20 BHED CCC[C@H](CC)Nc1snc(Cl)c1C#N 195165665 XNPRVNQHUZPPRL-ZETCQYMHSA-N 243.763 3.659 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1sc(C)nc1C 281460809 DUBLWKASCUBIDU-ZYHUDNBSSA-N 238.400 3.765 30 20 BHED C=CCNc1ccc2nc(C3CC3)sc2c1 309716688 ZADJOMSSBVERTH-UHFFFAOYSA-N 230.336 3.772 30 20 BHED C[C@@H]1CCC[C@H](CCn2ccc(C#N)c2)C1 339204613 IKXSWQIDKNWDKX-CHWSQXEVSA-N 216.328 3.576 30 20 BHED C=CCC(C)(C)CNc1ncccc1Cl 389895950 YVQZMTCXPRYWOX-UHFFFAOYSA-N 224.735 3.749 30 20 BHED N#CC1(CCSCCCF)CCCCC1 419438285 NLOMSOZDKPWGDO-UHFFFAOYSA-N 229.364 3.943 30 20 BHED C=C(C)CN(C)[C@H](CC)Cc1ccc(C)cc1 441364096 YYDWCWKZAFBIIV-MRXNPFEDSA-N 231.383 3.824 30 20 BHED C=CCC(C)(C)CNC(=O)[C@]1(C)CCC[C@@H]1C 452426727 ZALQOHXBSUGHJD-SWLSCSKDSA-N 237.387 3.531 30 20 BHED C=CCC1(C(=O)N[C@H](C)CC(C)(C)C)CCC1 457199730 WEKXLMWCLHOYLL-GFCCVEGCSA-N 237.387 3.674 30 20 BHED C=C[C@@H]1CCCCN1[C@@H](C)Cc1ccsc1 567425508 QYXLWASLWMDQCH-GXTWGEPZSA-N 235.396 3.720 30 20 BHED C=C1CCN(C(=O)CCCCC(C)(C)C)CC1 576250184 GVNHKLJYBYCQIZ-UHFFFAOYSA-N 237.387 3.772 30 20 BHED CC[C@H](C)CCN[C@@H]1CCc2ccc(C#N)cc21 595071683 CNTMPBKJVJTFMF-BLLLJJGKSA-N 242.366 3.571 30 20 BHED COc1cc(C)cc(NC[C@H](C)CCC#N)c1C 602641528 SKZMWUBDFFFLQQ-LLVKDONJSA-N 246.354 3.664 30 20 BHED C=CCCN(C)[C@H](C)c1ccccc1C 606897095 QPNCOZYOARYPAJ-CYBMUJFWSA-N 203.329 3.564 30 20 BHED C=CCCN[C@@H]1C[C@@H](c2ccccc2)C1(C)C 658112994 CDUOBOIBJLXPES-LSDHHAIUSA-N 229.367 3.734 30 20 BHED N#Cc1cccc(Nc2ccc(C3CCC3)cc2)n1 690276237 XUJBMJCAQHCWMZ-UHFFFAOYSA-N 249.317 3.964 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)CC(C)(C)C#N 695891631 NSRRMCDMENYOLK-STQMWFEESA-N 222.376 3.649 30 20 BHED C=CCCCC(=O)N[C@H](C)CCCCCC 748292919 XPOKXYJGHUBOLK-CYBMUJFWSA-N 225.376 3.818 30 20 BHED C#CCCS[C@@H](C)c1ccc(F)cc1 751771028 UNHRDQSRRXIHOL-JTQLQIEISA-N 208.301 3.643 30 20 BHED C#C[C@@H](CC)NC(=O)C[C@@H](C)CCCCCC 754374249 IWXIXVKTCKTZBZ-KBPBESRZSA-N 237.387 3.511 30 20 BHED Cc1cc(C=NNc2c(C)cccc2F)c(C)o1 769841611 TWAMXVKEAFVLFN-UHFFFAOYSA-N 246.285 3.790 30 20 BHED C#CCCCCCC(=O)Nc1ccc(F)cc1C 779730236 LPSQWOMWUMWCIQ-UHFFFAOYSA-N 247.313 3.656 30 20 BHED C#CCCCNc1cc(C)cc(C(F)(F)F)c1 792739098 OBMNDPWAHODEGD-UHFFFAOYSA-N 241.256 3.839 30 20 BHED C#CCON=C1CCC(C)=C1CCCCC 812236608 URGRQXSKXALMQH-UHFFFAOYSA-N 219.328 3.683 30 20 BHED CC(CC(C)(C)C#N)=NNc1ccc(F)cc1 853259008 LJYNTNQVNRDVPL-UHFFFAOYSA-N 233.290 3.553 30 20 BHED C[C@H](C=NOCC1CCC1)c1ccccc1 853439354 FAGWCIYTUQKNPE-GFCCVEGCSA-N 217.312 3.593 30 20 BHED CCCCCCCNC(=O)c1oc(C)cc1C 862358311 BRKQZLXZQALJJW-UHFFFAOYSA-N 237.343 3.597 30 20 BHED C=CCCCCCN[C@H](c1ccccn1)C1CC1 932386162 ONKDPFRNNCWQRV-INIZCTEOSA-N 244.382 3.869 30 20 BHED CC(C)CCC=NNc1ccc(C(C)(C)C)nn1 1117704567 XZRRRNDCLMLPNV-UHFFFAOYSA-N 248.374 3.608 30 20 BHED C(=NNC1CCCCC1)c1cccc2ccoc12 1117783501 ZUBVRDPTMRQLLT-UHFFFAOYSA-N 242.322 3.689 30 20 BHED C=C(CC)C(=O)Nc1ccccc1OCC(C)C 1263709748 BWWSHOCVQMDACM-UHFFFAOYSA-N 247.338 3.626 30 20 BHED C#C[C@H](CCC)NC(=O)[C@@H](C)CC1CCCCC1 1343566178 GJFHLAYMIRLYKH-DZGCQCFKSA-N 249.398 3.511 30 20 BHED Cc1cc(C#N)cc(N[C@H](C)CCC2CC2)c1 1462334598 CERHTXPXUCPNGE-GFCCVEGCSA-N 228.339 3.857 30 20 BHED C=C(Cl)CN(C)[C@@H]1CCCC[C@@H]1CC 1473388575 LFKDZGZLGACJCL-NWDGAFQWSA-N 215.768 3.640 30 20 BHED CC12CCC(B3OC(C)(C)C(C)(C)O3)(CC1)C2 2090608688 IOQNSECGKYUNNN-UHFFFAOYSA-N 236.164 3.803 30 20 BHED C[C@H](CC#N)N(C)Cc1ccc(C(C)(C)C)cc1 57846680 BKFREPADIJOWLU-CYBMUJFWSA-N 244.382 3.718 30 20 BHED CC[C@@H](C)N(CCCC#N)Cc1ccccc1 66864789 YQVLIMQGGZCWEH-CQSZACIVSA-N 230.355 3.591 30 20 BHED CC(=O)/C=C/c1cc(Cl)ccc1OC(F)F 70586504 PCZVYCZNLDZMGM-NSCUHMNNSA-N 246.640 3.544 30 20 BHED C=CCCC(=O)N(C)[C@H](c1ccccc1)C(C)C 112586590 VWHXQBZTZNHDOS-INIZCTEOSA-N 245.366 3.808 30 20 BHED C=CCC[C@H](C)NCCCc1ccccc1 126705864 YKYHQSNGFODBOQ-AWEZNQCLSA-N 217.356 3.564 30 20 BHED CCCCCCCCSCC(C)=O 136972005 QIWDPMKWQCNGQK-UHFFFAOYSA-N 202.363 3.669 30 20 BHED Cc1cc(C#N)ccc1CN[C@H]1CCCC[C@@H]1C 165178552 XVXRUPHKBQOMDR-LRDDRELGSA-N 242.366 3.535 30 20 BHED C#CCCCNC(=O)[C@@H](CC)CCCCCC 172947278 RNZVBLQDOYCNBJ-AWEZNQCLSA-N 237.387 3.513 30 20 BHED CC#CCCCC(=O)N1CCCC[C@H]1CC(C)C 186025354 VMMPVPCJCODISE-HNNXBMFYSA-N 249.398 3.607 30 20 BHED CCc1cccc(CN(CC#N)C2CCCC2)c1 189368024 MDOUSWOANDCFLD-UHFFFAOYSA-N 242.366 3.517 30 20 BHED C=CCCCC(=O)N1CCC=Cc2ccccc21 190111396 ANNPJZMAVUDQBF-UHFFFAOYSA-N 241.334 3.793 30 20 BHED CCCC[C@H](CC)CNc1cnccc1C#N 219962181 CMRYMDUVWBCMAT-LBPRGKRZSA-N 231.343 3.582 30 20 BHED C=C(Cl)CN[C@H](C)c1csc(C(C)C)n1 274499928 UXBLRDIUZYOUAP-SECBINFHSA-N 244.791 3.670 30 20 BHED CC(C)(C)CCCNc1ccc(C#N)cc1F 301396437 PUDTWXORTTYLEN-UHFFFAOYSA-N 234.318 3.936 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H]1CCC(C)(C)C1 308846802 MNDFFTVDFWBANG-AVGNSLFASA-N 209.377 3.755 30 20 BHED C#CCCN[C@@H](c1ccc(Cl)cc1)C(C)C 309420956 ZPDBGERLHAVPHN-CQSZACIVSA-N 235.758 3.650 30 20 BHED CC(C)CN[C@@H]1CCCCc2cc(C#N)ccc21 360840412 NNZSHIZQJKECGR-MRXNPFEDSA-N 242.366 3.571 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H](C1CC1)C(F)(F)F 381444236 FLBPQAPFJUMNFS-NGZCFLSTSA-N 235.293 3.518 30 20 BHED CC(C)(CCC#N)CNC[C@@H]1CCC[C@H]1C1CC1 414479282 HBZBVKPSGCLFFO-GJZGRUSLSA-N 248.414 3.732 30 20 BHED CCCC[C@@H](CC)CN(C)CC(C)(C)C#N 433327323 RRNDMVPSPLKPCF-CYBMUJFWSA-N 224.392 3.684 30 20 BHED C=CCC[C@@H](NCc1ccccc1F)C1CC1 439078791 PDZFZOMZZJRTQR-OAHLLOKOSA-N 233.330 3.660 30 20 BHED C=CCC1(CN[C@@H](C)c2cc(C)on2)CCCC1 453341683 CJUUVGUMTFBWQG-ZDUSSCGKSA-N 248.370 3.770 30 20 BHED C=CCN1CCc2c(Cl)cc(Cl)cc2C1 483614650 LZGLRVNKPAVWSF-UHFFFAOYSA-N 242.149 3.538 30 20 BHED C=C(C)CCN(C)Cc1cc2ccccc2o1 509667992 SSWVPWIAFHNGIZ-UHFFFAOYSA-N 229.323 3.831 30 20 BHED C=CC[C@@H](C)[C@@H](C)NC1(c2ccccc2)CC1 537421984 DKNQDBXCXGMHQE-ZIAGYGMSSA-N 229.367 3.866 30 20 BHED CC#CCCCc1nc(C2(CC)CCCC2)no1 555020752 FGNGUFMLAIVCQZ-UHFFFAOYSA-N 246.354 3.637 30 20 BHED C=CCCNc1cc(F)ccc1OCC1CC1 578944644 NJLGONVUMZRTPE-UHFFFAOYSA-N 235.302 3.603 30 20 BHED N#Cc1ccccc1-c1ccc(F)c(F)c1 584630701 MSEKOZNQJQGVNN-UHFFFAOYSA-N 215.202 3.503 30 20 BHED CC(C)C[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 589343719 SEOPLQYOQIEOPH-WBMJQRKESA-N 242.366 3.570 30 20 BHED Cc1ccc(CSc2cccc(C#N)c2)nc1 610928456 KUZIGQFXBPGYCP-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=CCCc1noc(-c2cc(C)sc2C)n1 651356336 UIHGYBGLJQEZTQ-UHFFFAOYSA-N 234.324 3.534 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCc2ccc(O)cc21 658237210 CKPGLCQYVDGQRN-MQIPJXDCSA-N 245.366 3.570 30 20 BHED C/C=C\CON=C(c1ccccc1)C(F)(F)F 751954450 KEXYQINZJUSBSB-BSUHAUSQSA-N 243.228 3.546 30 20 BHED C#CCCCN(C)[C@@H](C)c1cc2ccccc2o1 766896461 PAXPWZBMXFDEDS-ZDUSSCGKSA-N 241.334 3.839 30 20 BHED C#CCCCCCC(=O)N[C@@H](C)CCCCC 779715920 QXDKBHSTZWPJRH-AWEZNQCLSA-N 237.387 3.655 30 20 BHED C[C@H]1OCCC1=NNc1ccc(C(C)(C)C)cc1 779824946 KRBGTVUHIZSQCF-LLVKDONJSA-N 246.354 3.561 30 20 BHED Cc1cccc(C)c1C=NN[C@@H]1CCCC1(C)C 782300908 MWIXWIVWFJDPPA-OAHLLOKOSA-N 244.382 3.806 30 20 BHED Cc1ccc([C@H](C)OC(=O)CC(C)(C)C#N)cc1 784287550 UCAOFLVCWBVRBD-LBPRGKRZSA-N 245.322 3.539 30 20 BHED C#Cc1ccc(CN[C@H](C)c2ccc(C)cc2)cc1 809608581 XPBNTGBYYFMJPH-OAHLLOKOSA-N 249.357 3.827 30 20 BHED CC(=NOC/C=C/Cl)c1cc(C)sc1C 811671183 BMISMMOJXNNSFX-UAEIYFGTSA-N 243.759 3.858 30 20 BHED C1CC(=NOCCC2CC2)C[C@@H](C2CC2)C1 814245909 NHCXTYNWYNMBHP-ZDUSSCGKSA-N 221.344 3.759 30 20 BHED C=CCCC(CCC)=NN[C@H]1C[C@H]2CC[C@H]1C2 814893198 HHCPAIDYJFGHCB-YDHLFZDLSA-N 234.387 3.887 30 20 BHED C[C@@H]1C[C@@H]1C=NNc1cc(F)cc(Cl)c1 853396862 RCUQVPUOULOUHA-HTQZYQBOSA-N 226.682 3.533 30 20 BHED CCCCC(C)=NNc1ccc(Cl)cn1 853438012 MLQYVOYVOIFSOL-UHFFFAOYSA-N 225.723 3.713 30 20 BHED CC(C)C#CC(=O)Nc1cccc(C2CCC2)c1 854570662 AVAKRUWITGYTTO-UHFFFAOYSA-N 241.334 3.552 30 20 BHED CCCCCCCCC(=O)N(CC)CCC 914500801 OUUOMPZQSKXGMS-UHFFFAOYSA-N 227.392 3.996 30 20 BHED CCCCCCCC(=O)N(C)[C@@H](C)C(C)C 915079922 HQORSJTUBMBKJX-ZDUSSCGKSA-N 227.392 3.850 30 20 BHED C#CCCN[C@H](c1ccc(CC)cc1)C(C)C 920415699 CVTZNFIDJLNAKV-INIZCTEOSA-N 229.367 3.559 30 20 BHED C[C@@H]1C[C@H](C(C)(C)C)CCN1CC1(CC#N)CC1 1559879315 GIPGQOKCCUDADV-ZIAGYGMSSA-N 248.414 3.827 30 20 BHED N#Cc1ccc(Cl)cc1NC[C@@H]1CC=CCC1 36954173 ARTZHGRLQSOSHF-LLVKDONJSA-N 246.741 3.980 30 20 BHED CC[C@H](C#N)SCc1ccccc1C 54964093 HFXXUOWXDWXPOR-GFCCVEGCSA-N 205.326 3.530 30 20 BHED Cc1cc(C#N)cc(C)c1OCCC(C)C 88154004 JJFHHGPHZLAACL-UHFFFAOYSA-N 217.312 3.600 30 20 BHED C=CCCC[C@@H](C)NC(=O)Nc1ccccc1C 124438024 VAAKCUXTTOKBQL-CYBMUJFWSA-N 246.354 3.861 30 20 BHED C=CCC[C@@H](CC)N[C@H](C)c1cccc(O)c1 126629330 NJIABVMPFDXRAG-TZMCWYRMSA-N 233.355 3.788 30 20 BHED CCCCCCCCn1cccc(C)c1=O 129175242 KLWUYELMTSRIOJ-UHFFFAOYSA-N 221.344 3.517 30 20 BHED C=CCC(CC=C)C(=O)NCC1(CC(C)C)CC1 153131500 MQVASIDJWMIPSZ-UHFFFAOYSA-N 249.398 3.697 30 20 BHED C=C(C)CNC(=O)C[C@@H](CC)c1ccc(C)cc1 161036190 NVMYKJUXGMGNIU-CQSZACIVSA-N 245.366 3.571 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cc(C)cc(C)c1 161640267 DLEXDGWZPGQDRC-KGLIPLIRSA-N 217.356 3.919 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc(C)cc1OC 163335601 BEWZVKVBQDLJLT-QWHCGFSZSA-N 233.355 3.619 30 20 BHED CC[C@@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 163896492 DXMSXUDYBZQSQP-MRVPVSSYSA-N 242.244 3.787 30 20 BHED C[C@H](NCC(C)(C)C#N)c1ccccc1Cl 163913504 HLCXIQWAKZEUEM-JTQLQIEISA-N 236.746 3.540 30 20 BHED C=CCCCC(=O)NCCCCC(C)(C)C 175574474 SLDRFWGPGYUPKW-UHFFFAOYSA-N 225.376 3.675 30 20 BHED C#CCCSC1=Nc2ccccc2CS1 178165320 KFXSAIWOASJITG-UHFFFAOYSA-N 233.361 3.677 30 20 BHED CCCCCCC[C@@H](C)NCc1ccno1 231881348 OPNIPTGFDWBRLU-GFCCVEGCSA-N 224.348 3.513 30 20 BHED CCCC1(CNc2cccc(F)c2C#N)CC1 233056523 WSJLBFIIVRGMKQ-UHFFFAOYSA-N 232.302 3.690 30 20 BHED N#Cc1ccc(/C=C\c2ccc(Cl)s2)nc1 255830795 COTOZHBOVGFYAN-ARJAWSKDSA-N 246.722 3.839 30 20 BHED C=CC[C@H](CC)NC(=O)C[C@H](C)c1ccccc1 281372050 NGSTVHNINXYHOU-ZFWWWQNUSA-N 245.366 3.651 30 20 BHED C=CCCCNc1ccc(C(=O)CC)cc1 304189862 AGANHXAKISOSDA-UHFFFAOYSA-N 217.312 3.657 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(C)c(C)c1 309543315 GHWFDUUAWLVZKG-AWEZNQCLSA-N 217.356 3.920 30 20 BHED C=CC[C@H](C)[C@@H](C)NC1CCC(F)(F)CC1 309797031 VPTFKPLZTHXYRQ-WDEREUQCSA-N 231.330 3.755 30 20 BHED C=CCC[C@H](CC)NCC(C)(C)CCC#N 310039790 XJYQGCADGGPECV-ZDUSSCGKSA-N 222.376 3.651 30 20 BHED C=CCN(CC=C)Cc1ccccc1SC 358053609 VPUXOUCHMVIGPQ-UHFFFAOYSA-N 233.380 3.583 30 20 BHED C[C@@H]1CCN(CC(C)(C)CCC#N)CC12CCC2 360466634 NQBPUUYNTAJNMS-CQSZACIVSA-N 248.414 3.828 30 20 BHED C[C@@H](CCC#N)N1CCC[C@H](c2ccccc2)C1 411759049 PLUNGMZQBISUMH-HOCLYGCPSA-N 242.366 3.558 30 20 BHED CC[C@@H]1CCC[C@H]1CNCc1cc(C#N)cs1 449433131 KWMHZGMZKHPWBT-OLZOCXBDSA-N 248.395 3.536 30 20 BHED C=CC[C@@H](CC)NC(=O)Nc1ccccc1CC 466409790 OEPGNXDDAWTMPH-CYBMUJFWSA-N 246.354 3.725 30 20 BHED C=CCN(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 475731062 MIPQSGIIMSRJCG-VXGBXAGGSA-N 237.774 3.950 30 20 BHED C=C1CCN(c2nc3cccc(C)c3s2)CC1 479969689 VKLIZWCWMUJGDI-UHFFFAOYSA-N 244.363 3.761 30 20 BHED CC(C)c1ccc([C@@H]2CCCCN2CC#N)cc1 490692067 DKEVJQUKCXVTPM-INIZCTEOSA-N 242.366 3.861 30 20 BHED C=CCN1CCC[C@](C)(c2ccccc2)CC1 510077708 FMEHWNQFAOSIMC-INIZCTEOSA-N 229.367 3.616 30 20 BHED C=CCC[C@H](CC)NCc1ccccc1N(C)C 540173388 OKXFMKXMBSELNN-HNNXBMFYSA-N 246.398 3.587 30 20 BHED C=CCCN(Cc1ccc(OC)cc1)C(C)(C)C 563802287 SQKONARJCITIIO-UHFFFAOYSA-N 247.382 3.872 30 20 BHED COCCCCSCc1ccc(C#N)cc1C 586751210 VRHYXCMNOYBBQJ-UHFFFAOYSA-N 249.379 3.527 30 20 BHED N#Cc1ccc(-c2ccc(C3CCC3)cc2)cn1 592985351 GEDIXPGGGWPDHP-UHFFFAOYSA-N 234.302 3.888 30 20 BHED C[C@H](CCC#N)CN1CCC[C@H]1c1ccsc1 602440043 NAHDFTXUPMPEKY-OCCSQVGLSA-N 248.395 3.825 30 20 BHED CC(=NNc1ccc(C)cc1)c1ccccc1 606521737 CNPIVBOWNVNUKF-UHFFFAOYSA-N 224.307 3.831 30 20 BHED C=CCCCCCN(C)C(=O)C(CC)CC 606814076 GSXJRFCSLCITGL-UHFFFAOYSA-N 225.376 3.627 30 20 BHED C=CCCCSc1nc(C)cc(C)c1C#N 609781507 REYNLSARFGHDOT-UHFFFAOYSA-N 232.352 3.628 30 20 BHED C=CCCNC(=O)C[C@@H](CC)c1ccc(C)cc1 617616272 PPMPSTOHAXVXMF-CQSZACIVSA-N 245.366 3.571 30 20 BHED CSCCON=Cc1ccc(C(C)C)cc1 727483856 RIZBFWKTLBWXQY-UHFFFAOYSA-N 237.368 3.524 30 20 BHED C=CCCOC(=O)C[C@H](CC)c1ccccc1 729074265 NOJIPQATTSHDJR-ZDUSSCGKSA-N 232.323 3.690 30 20 BHED O=C(/C=C\c1ccccc1C1CC1)c1cccnc1 751029273 BHGBURFHAAGEDT-KTKRTIGZSA-N 249.313 3.855 30 20 BHED CC[C@@H](C)NN=C(C)CCc1ccc(F)cc1 790181908 AKLJYYCUXHWABF-LLVKDONJSA-N 236.334 3.522 30 20 BHED CCOCCON=C1CCCCC12CCCC2 814907774 ZJOFKTPDDDHUQD-UHFFFAOYSA-N 239.359 3.530 30 20 BHED CC1(C)CC=C(C(=O)OC2(CC#N)CCC2)CC1 835399604 LGNQZGCGLGKVNZ-UHFFFAOYSA-N 247.338 3.502 30 20 BHED CC(C)CCC=NNc1ccnc(Cl)c1 853395289 RPIMUJXBNGFWND-UHFFFAOYSA-N 225.723 3.569 30 20 BHED CCCCCCCC(=O)N1CCC[C@@H](CF)C1 881592286 CUTNNJVXILLRCF-ZDUSSCGKSA-N 243.366 3.555 30 20 BHED Cc1cc(F)ncc1/C=C/C(=O)C1CCCCC1 899345419 LYYBUKMTZRJCMV-BQYQJAHWSA-N 247.313 3.692 30 20 BHED O=[N+]([O-])c1cccc(NN=CC2CCCCC2)c1 916269054 OHXPNIQGMAMGNQ-UHFFFAOYSA-N 247.298 3.573 30 20 BHED CC(C)(C)ON=C[C@H]1C[C@H]1c1ccccc1 1253789893 XVMDKAGRPNNAIS-OLZOCXBDSA-N 217.312 3.591 30 20 BHED CC[C@H](C)CON=Cc1csc(C(C)C)n1 1261223272 PIVLGBKLYQIFKK-JTQLQIEISA-N 240.372 3.663 30 20 BHED CC1=CCC[C@@H](C)[C@H]1C=NOC(C)(C)C 1341691747 LWZZDHVDSYDRGL-NEPJUHHUSA-N 209.333 3.780 30 20 BHED C=CCCc1ccccc1NC(=O)C(=C)CC 1521558516 AJBSEIYNBVOKQG-UHFFFAOYSA-N 229.323 3.710 30 20 BHED C[C@H](CNc1ccc(C#N)cc1)C(C)(C)C 96609883 QXTTYRNIVPIJDA-LLVKDONJSA-N 216.328 3.652 30 20 BHED C=C(C)CSc1nc2c(cc1C#N)CCCC2 97061310 XBVZHPUNPZQICA-UHFFFAOYSA-N 244.363 3.500 30 20 BHED C=CC[C@H](C)NC(=O)Nc1ccccc1CCC 116999658 OSZQILYZUINUSE-LBPRGKRZSA-N 246.354 3.725 30 20 BHED C[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)CC1 118394865 NUZOXTMOOVVKDL-KBPBESRZSA-N 242.366 3.741 30 20 BHED C=C[C@H](C)N[C@@H](CC)c1ccc(Cl)cc1 136204526 GTDLZRPOCAZNSL-GWCFXTLKSA-N 223.747 3.955 30 20 BHED C=CC[C@@H](C)NCC1CCC(C(F)(F)F)CC1 183712598 SDOLBBLIWPKCOU-VOMCLLRMSA-N 249.320 3.909 30 20 BHED CCCCC[C@H](C)N[C@H]1CCC[C@H](C#N)C1 185763704 LAXJGQFKSORZIW-IHRRRGAJSA-N 222.376 3.627 30 20 BHED C[C@H]1CC[C@H](C)N1Cc1ccc(Cl)cc1C#N 187158230 YZONMXRUSVYKHG-QWRGUYRKSA-N 248.757 3.584 30 20 BHED C#CCCCC(=O)Oc1cccc2ccccc12 192038771 MXZVMTZBLHAQDU-UHFFFAOYSA-N 238.286 3.549 30 20 BHED CCCCCSCCOc1ccccc1C#N 227528829 JXUFYVZBUXWHPD-UHFFFAOYSA-N 249.379 3.860 30 20 BHED C[C@@H](CNc1cccc(C#N)c1)C(C)(C)C 227627510 UUSBRXGKNOWHKS-NSHDSACASA-N 216.328 3.652 30 20 BHED C[C@H](N[C@H]1CCC12CCC2)c1ccc(C#N)cc1 282040176 FXVCOAIAUKPQKD-WFASDCNBSA-N 240.350 3.542 30 20 BHED C=CCN(C/C=C/Cl)CC1CCCCC1 303464949 PBCLCBBYWFKQOE-RMKNXTFCSA-N 227.779 3.807 30 20 BHED C=CCCSc1nc2ccccc2n1CC=C 303764774 FWHRYEXPEDDOQI-UHFFFAOYSA-N 244.363 3.891 30 20 BHED C=C(C)CNc1nc(C2CCCC2)cs1 308997614 NCFSSXMGWSMXPY-UHFFFAOYSA-N 222.357 3.789 30 20 BHED C=C(CC)CN[C@H](C)c1c(C)cccc1C 309739193 CZPSUULDNPOANN-CQSZACIVSA-N 217.356 3.920 30 20 BHED C=CCC[C@H](C)Nc1cccc(CC#N)c1 313414369 YGMMGXNBVVDNJZ-LBPRGKRZSA-N 214.312 3.519 30 20 BHED C=CCCC1(C(=O)N[C@@H]2C[C@@H](C)C[C@@H](C)C2)CC1 356178709 ZJUJKSQUPQDMLC-WDNDVIMCSA-N 249.398 3.674 30 20 BHED CC[C@@H]1CCC[C@H]1Nc1ncc(C#N)cc1Cl 362560069 KCYNZDFVZNJWHM-ZYHUDNBSSA-N 249.745 3.597 30 20 BHED C=CC(C)(C)CN[C@H](C)c1csc(C)c1 384861522 OKWLHTOOXCRSAL-LLVKDONJSA-N 223.385 3.919 30 20 BHED C=CCCCC[C@H](C)N[C@H]1CC[C@@H](C)C1 389965119 XEUDVHPQXIROOI-RDBSUJKOSA-N 209.377 3.900 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H](CC)C1CCCC1 411060741 HIOHCTHQVNVHPE-UKRRQHHQSA-N 237.387 3.674 30 20 BHED C=C(C)CCN[C@H](CC(F)F)c1ccccc1 420989346 BZUIDDWJONGMSB-CYBMUJFWSA-N 239.309 3.939 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1ccc(C)cc1 424579863 ZMDJRALYFJUUIC-ZDUSSCGKSA-N 245.366 3.775 30 20 BHED CCc1ccc([C@@H](C)NCC2(C#N)CCC2)cc1 450666138 XHTDRBVDUZRRHJ-CYBMUJFWSA-N 242.366 3.593 30 20 BHED CC(C)Cc1ccc([C@H](NCC#N)C(C)C)cc1 477684186 WOJBVDHNSDEZPI-MRXNPFEDSA-N 244.382 3.695 30 20 BHED C=CCN(CC=C)Cc1cc(F)cc(Cl)c1 485717393 IGQVPJGVJYBWQA-UHFFFAOYSA-N 239.721 3.653 30 20 BHED C=C(C)CCN(C)[C@@H](C)C1CCCCC1 510810704 NRXQSHDPSZGPEL-ZDUSSCGKSA-N 209.377 3.853 30 20 BHED CC[C@H](CC#N)N[C@H]1CCc2c(Cl)cccc21 568181593 XUDVMUMQIAMNQP-YGRLFVJLSA-N 248.757 3.609 30 20 BHED N#C[C@H](SCCCc1ccccc1)C1CC1 601077547 UUBOMWNKIKPNFX-AWEZNQCLSA-N 231.364 3.655 30 20 BHED C=CCCCCCN(C)C(=O)CCCCC 606815037 LJQKRBMSZFVXMQ-UHFFFAOYSA-N 225.376 3.772 30 20 BHED C[C@H](c1cccc(F)c1)N1CCC[C@@](C)(C#N)C1 612161776 IDKLMBYKCPFPPD-DOMZBBRYSA-N 246.329 3.512 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)Cc1ccccn1 655835473 YPEZJCWWXADKQR-GJZGRUSLSA-N 246.398 3.737 30 20 BHED C=CCC[C@@H](C)N[C@@H]1CCc2ccc(C)cc21 680473858 DUSZIBQIOXVGOW-CZUORRHYSA-N 229.367 3.927 30 20 BHED CC(C)CC[C@H](C)N[C@H](C)CC(C)(C)C#N 695817915 WQGJQJLDTIRZHD-QWHCGFSZSA-N 224.392 3.729 30 20 BHED COc1cccc(NN=C(C)CCC(C)C)c1 725853614 PGCKOLRUROGIBU-UHFFFAOYSA-N 234.343 3.919 30 20 BHED C=CCCCOC(=O)CCc1ccc(C)cc1C 735528670 UFWXSAMTEHGSAX-UHFFFAOYSA-N 246.350 3.745 30 20 BHED N#Cc1ccc(SC/C=C/Cl)c(F)c1 741859987 OOGKPIAFVGGIBZ-DAFODLJHSA-N 227.691 3.542 30 20 BHED CCCCCCCCNC(=O)N(C)[C@H](C)CC 755075093 MCBNJLWWXWQLMD-CYBMUJFWSA-N 242.407 3.787 30 20 BHED CC(CC1CC1)=NNc1cccc2cnccc12 756826331 GZDRVCGXOALTGB-UHFFFAOYSA-N 239.322 3.823 30 20 BHED CCC(Cc1ccccc1)=NOC1CCCC1 774607278 DQNOMVVIUVJEER-UHFFFAOYSA-N 231.339 3.954 30 20 BHED C#CCC1(C(=O)N(C)[C@@H](C)CCC)CCCCC1 788430612 AGBRBECRABLGRS-AWEZNQCLSA-N 249.398 3.607 30 20 BHED CC(C)[C@@H]1CCCC(=NNc2cccc(F)n2)C1 795008542 KSTLARWWYQKHLY-LLVKDONJSA-N 249.333 3.835 30 20 BHED CC(Cc1ccc(F)cc1)=NNc1ccccc1 814684561 YQWJAOQVXICTIN-UHFFFAOYSA-N 242.297 3.856 30 20 BHED Fc1ccccc1NN=Cc1ccc(Cl)o1 814789577 JUOYMEIDKPRHHQ-UHFFFAOYSA-N 238.649 3.518 30 20 BHED CC[C@H](C=NOCCC1CC1)c1ccccc1 814941111 ORUZKTMJDSIGFQ-CQSZACIVSA-N 231.339 3.983 30 20 BHED C[C@H](NN=C[C@@H]1CCC[C@@H](C)C1)c1ccncc1 819816378 ITWGQDOIJLJLCA-HZSPNIEDSA-N 245.370 3.544 30 20 BHED C=C[C@H](C)ON=CC1(CCOC)CCCCC1 844624220 HBJAUDACIXCDMG-ZDUSSCGKSA-N 239.359 3.550 30 20 BHED C=CCN(C(=O)/C(C)=C(\C)CC)C(C)(C)C 857651018 OJVWHYXSGUDPCX-VAWYXSNFSA-N 223.360 3.546 30 20 BHED CC(C)CC=NNc1ncccc1C(F)(F)F 915050660 YGBAABFZZPSRPG-UHFFFAOYSA-N 245.248 3.544 30 20 BHED C=CCN(C(=O)Nc1ccccc1CC)C(C)C 916707179 JYYPVBZFBIXBSL-UHFFFAOYSA-N 246.354 3.677 30 20 BHED CCCCCCCOC(=O)c1ccoc1C 918492912 DFNPRWHPXWOQLL-UHFFFAOYSA-N 224.300 3.715 30 20 BHED CCCCCCCCCN(C)Cc1ccno1 918741234 DJOMYJWTPORMKN-UHFFFAOYSA-N 238.375 3.857 30 20 BHED Cc1[nH]c2ccccc2c1C=NOC(C)(C)C 1320325416 MJUVQDMJZPVFGH-UHFFFAOYSA-N 230.311 3.625 30 20 BHED C[C@H](C=NOC(C)(C)C)c1cc(F)cc(F)c1 1344439984 YYTFWRMZMMFZKQ-SECBINFHSA-N 241.281 3.869 30 20 BHED Cc1cnccc1CSc1ccc(C#N)cc1 1458913288 JEOKTCNLOLKPCO-UHFFFAOYSA-N 240.331 3.554 30 20 BHED Cc1cccc(SCCCCC#N)c1 49579615 YCQDPMHMXUWKLP-UHFFFAOYSA-N 205.326 3.781 30 20 BHED C[C@H](N[C@H](C)C1CCCC1)c1ccc(C#N)cc1 54079165 CZFPOHVXAPCZOK-OLZOCXBDSA-N 242.366 3.788 30 20 BHED C[C@@H]1CCN(CC(C)(C)CCC#N)C[C@H](C)C1 91893516 PJEVEOSXHHBWKP-ZIAGYGMSSA-N 236.403 3.684 30 20 BHED Cc1nsc(NC[C@@H]2CCCC[C@@H]2C)c1C#N 92912434 FADNIZXINXXMNL-ONGXEEELSA-N 249.383 3.561 30 20 BHED C=C(C)CSc1ccc2ccccc2n1 97513925 FSYKSRTYAPHXRO-UHFFFAOYSA-N 215.321 3.903 30 20 BHED CC(C)c1cccc(NCc2ccc(C#N)o2)c1 135560746 BYTMDPQZWFWUSC-UHFFFAOYSA-N 240.306 3.887 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 157259245 ZVQXFZQASYXFNM-DTWKUNHWSA-N 227.710 3.704 30 20 BHED C#CCCCCC(=O)Nc1ccc(C)c(Cl)c1 179611031 SNHKXJIGGUZPHV-UHFFFAOYSA-N 249.741 3.781 30 20 BHED C[C@@H](CCC#N)Sc1ncc(C(C)(C)C)o1 188326228 ALRWAVWIVTVTBS-VIFPVBQESA-N 238.356 3.756 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H](C)C[C@@H](C)CC 188460427 DWIXPMHJJKTMKQ-SGMGOOAPSA-N 225.376 3.530 30 20 BHED CCCC[C@H](C)C(=O)Nc1ccc(CC#N)cc1 282460646 HEMYTSWWELMNKQ-LBPRGKRZSA-N 244.338 3.517 30 20 BHED C=CCC[C@H](N[C@H](C)CC=C)c1ccco1 309379789 ADRGKQZBKRUHAS-OLZOCXBDSA-N 219.328 3.841 30 20 BHED C=CCCNc1cccc(OCC(C)C)c1 309409247 XRHKVIQMXOBWKW-UHFFFAOYSA-N 219.328 3.709 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1nc(C)sc1C 309688754 IJETUCMCAFAGSJ-JOYOIKCWSA-N 238.400 3.765 30 20 BHED C=CCC[C@H](CCC)NC[C@@H]1CCCSC1 309936637 AGBRIJMXAGGUST-KBPBESRZSA-N 241.444 3.854 30 20 BHED C=CCCCN[C@@H](CC)c1ccc(F)cc1F 341847596 PKHQXNGBUDZONE-AWEZNQCLSA-N 239.309 3.972 30 20 BHED CC(C)CCN(CCC#N)C[C@@H]1CC=CCC1 353425556 YLLSSEAJBSHYOK-OAHLLOKOSA-N 234.387 3.604 30 20 BHED Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)c(Cl)c1 381556802 PIYXYPHTMDBURQ-WDEREUQCSA-N 234.730 3.753 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(F)c(C)c1 390469896 IVHZWFICRFGUOK-GFCCVEGCSA-N 221.319 3.751 30 20 BHED C[C@H](SCCC#N)c1cc(F)ccc1F 413017475 YSUCRVPELKUGDV-QMMMGPOBSA-N 227.279 3.673 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1cc(C)oc1C 424614778 JKZFFHRIZAWTRL-LLVKDONJSA-N 249.354 3.676 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCC[C@H](C)C1 425455202 HKNQUAFAYQYRMC-STQMWFEESA-N 237.387 3.626 30 20 BHED CC(C)[C@@H]1CN(CCCCC#N)c2ccccc21 447395670 OGDFLDZAYDVJSO-HNNXBMFYSA-N 242.366 3.940 30 20 BHED C=CCCCC[C@H](C)N[C@H]1CC[C@H](F)C1 449332698 RYTRSRHMTRFJAR-AVGNSLFASA-N 213.340 3.602 30 20 BHED C=C(C)CCN[C@H](C)CCc1cccc(F)c1 449479123 UHXYTZFGGFUBDT-CYBMUJFWSA-N 235.346 3.703 30 20 BHED C=CCN(CC=C)C(=O)CCCC1CCCC1 463241613 COFKPZDCGOOQQL-UHFFFAOYSA-N 235.371 3.548 30 20 BHED C=CCN(CC/C=C\CC)CCc1ccco1 467177555 VYYOWOSDOKKODB-WAYWQWQTSA-N 233.355 3.666 30 20 BHED C=CCCN(C)CCCc1ccccc1Cl 467285800 LIKBGOOMQAADNY-UHFFFAOYSA-N 237.774 3.781 30 20 BHED C=C[C@@H]1CCCCN1Cc1cc2ccccc2o1 489397305 HJDKUPOSIQQYNE-CQSZACIVSA-N 241.334 3.973 30 20 BHED C=C[C@@H]1CCCCN1Cc1ccc2cc[nH]c2c1 529553653 IYNLFRSHQUDGAK-OAHLLOKOSA-N 240.350 3.708 30 20 BHED C=CCC[C@H](C)N[C@@H]1c2ccc(F)cc2O[C@H]1C 562056153 CICLRKRKQRHVES-PGUXBMHVSA-N 249.329 3.592 30 20 BHED C=C(C)CN(CC)C(=O)[C@@H]1CCC(C)=C(C)C1 567737039 GZMULYUDGQJPHA-CQSZACIVSA-N 235.371 3.548 30 20 BHED C=CC[C@H]1CCCC[C@@H]1NCC(C)(C)CC#N 595054303 ZCWXTSBPGFORSV-KBPBESRZSA-N 234.387 3.651 30 20 BHED Cc1ccc(S[C@@H](C#N)C2CC2)c(C)c1 601072693 PVXJOCURYHUDLQ-ZDUSSCGKSA-N 217.337 3.698 30 20 BHED C=CCC(CC=C)C(=O)N1C2CCCC1CCC2 675155807 LCDZVZCMIPHYKQ-UHFFFAOYSA-N 247.382 3.688 30 20 BHED C=CC[C@H](C)N[C@@H]1c2ccccc2CC[C@@H]1C 678773626 PYEDOZOOTDNBON-XEZPLFJOSA-N 229.367 3.864 30 20 BHED CCON=C(C)c1oc2ccc(OC)cc2c1C 729142987 HWIJSOSGRICZHN-UHFFFAOYSA-N 247.294 3.510 30 20 BHED C=CCOC(=O)C[C@@H](CC)c1ccc(C)cc1 738688349 LGXVPEQEXJVPKY-CYBMUJFWSA-N 232.323 3.608 30 20 BHED C=C(C)COC(=O)[C@H](C)CCCCCC 744040065 CFTJWLGVJRHDSY-GFCCVEGCSA-N 212.333 3.712 30 20 BHED CC1(C)CCC(C=NOCc2cccnc2)CC1 746586321 WHIOSNVFMSFXSN-UHFFFAOYSA-N 246.354 3.800 30 20 BHED C=CCCCSCc1ncc(C(C)C)o1 754249153 GHFYYBJPXHFHFS-UHFFFAOYSA-N 225.357 3.997 30 20 BHED CC(=NO[C@H]1CCCCO1)c1cccc(C)c1C 755823478 PIVBDURZFFLVKR-HNNXBMFYSA-N 247.338 3.571 30 20 BHED C#CCCCCc1nc([C@H](C)C(C)(C)C)no1 762143395 AMNFDGHUQRTDNF-NSHDSACASA-N 234.343 3.565 30 20 BHED Cc1cc(C)c(C=NOCC(F)(F)F)c(C)c1 764846221 FMICMPSNTDGJCM-UHFFFAOYSA-N 245.244 3.525 30 20 BHED C=CCC1(C(=O)OCc2ccccc2C)CCC1 791564191 BOLULUCAVBEAMV-UHFFFAOYSA-N 244.334 3.785 30 20 BHED CSCCON=CCC[C@@H]1C[C@H]2CC[C@H]1C2 794573106 QSSVCUOZZDJJGJ-UPJWGTAASA-N 241.400 3.568 30 20 BHED Clc1ccsc1C=NNCC1CCCC1 808006066 PZNCTKQLKYSKCW-UHFFFAOYSA-N 242.775 3.515 30 20 BHED CCCC(CCC)=NNCC1CCCC1 808006383 SBGSSDFADNKERH-UHFFFAOYSA-N 210.365 3.722 30 20 BHED C=CCCCCCCCN[C@H](C)c1ccn(C)n1 840750863 BPKKXRVLOWEVJJ-CQSZACIVSA-N 249.402 3.597 30 20 BHED C=C[C@H](C)ON=C1CCC[C@H](c2cccnc2)C1 844626498 WLKVOXCVYSSOTN-STQMWFEESA-N 244.338 3.686 30 20 BHED C=CC[C@@H]1CCCCC1=NOCCOC(C)C 853348163 BUJNCFUIQALIMT-CYBMUJFWSA-N 239.359 3.550 30 20 BHED CC(C)CC=NNc1ccc(C(F)(F)F)cn1 863951338 GATIEWDOTFTWKW-UHFFFAOYSA-N 245.248 3.544 30 20 BHED C[C@H](CCC#N)CN1CCCCCCCC1 877569177 IUNSOPFSWRXVOV-CQSZACIVSA-N 222.376 3.582 30 20 BHED C=CC(C)(C)CC(=O)N1CCCC[C@H]1C(C)C 889035682 SFMCHMJHSDEGSS-ZDUSSCGKSA-N 237.387 3.626 30 20 BHED CCCC(CCC)=NNCc1ccccc1 916344408 VKOFCCKCFWBOES-UHFFFAOYSA-N 218.344 3.732 30 20 BHED Cc1ccc(Sc2ncc(C#N)cc2F)cc1 1184608769 WOAOZXJRBYTHEX-UHFFFAOYSA-N 244.294 3.552 30 20 BHED CC(C)N(CCC1(C#N)CCCCC1)CC1CC1 1652748186 NPCPJCNMPZFWLX-UHFFFAOYSA-N 248.414 3.971 30 20 BHED Cc1ccsc1/C=C/C(=O)c1ccc(O)cc1 6338470 QBWIVYNWQHIHLI-VOTSOKGWSA-N 244.315 3.658 30 20 BHED CC1CCC(N[C@@H](C)c2ccc(C#N)cc2)CC1 19917847 IMKWENMSMYECOJ-UYJPIKCFSA-N 242.366 3.788 30 20 BHED Cc1ccc(NCc2ccccc2C#N)c(C)c1 20034894 LLIOQCJMCNPPHN-UHFFFAOYSA-N 236.318 3.787 30 20 BHED C[C@@H](S)c1ccc2ccccc2c1O 20476554 ZOJLOHGLXUPFSX-MRVPVSSYSA-N 204.294 3.536 30 20 BHED C[C@@H]1CCC[C@@H](N(C)c2ccc(C#N)cc2F)C1 42495276 TZAFOPBXFJKRNX-DGCLKSJQSA-N 246.329 3.712 30 20 BHED N#CCCCCN1CCC[C@H]1c1cccs1 57598674 RGVPZQYPZQLCOF-LBPRGKRZSA-N 234.368 3.579 30 20 BHED CC1CCC(CNCc2cc(C#N)cs2)CC1 93492530 VENBXPYODWGXSR-UHFFFAOYSA-N 248.395 3.536 30 20 BHED C=CCS[C@H](C)C(=O)Nc1cccc(C)c1C 114756803 OCWOUJZADCEKHI-GFCCVEGCSA-N 249.379 3.550 30 20 BHED C=CC[C@H](C)NC(=O)C[C@H](C)C1CCCCC1 116849962 ZNFKFEWLBHTVKC-STQMWFEESA-N 237.387 3.674 30 20 BHED CC[C@H](Cc1ccccc1)N(C)CCCCC#N 128674860 XRGQUHVJXBSLIA-MRXNPFEDSA-N 244.382 3.633 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)c1ccsc1 131996685 HVPCGOUUUPEVNK-MNOVXSKESA-N 209.358 3.753 30 20 BHED C#CCCCN[C@H](CCC)c1ccc(OC)cc1 178053782 JZQLKUOQPGEJDD-MRXNPFEDSA-N 245.366 3.539 30 20 BHED CC(C)N(Cc1ccc(Cl)cc1C#N)C1CC1 186666744 GDWDBSDGYLMTHO-UHFFFAOYSA-N 248.757 3.584 30 20 BHED O=C(/C=C\c1ccc(Cl)s1)c1cccnc1 255886977 YKSHPVYIFFCLJG-HYXAFXHYSA-N 249.722 3.693 30 20 BHED Cc1cc(C)c(CN(C)CC(C)(C)C#N)cc1C 258970199 UXNLPQVAYAURBP-UHFFFAOYSA-N 244.382 3.593 30 20 BHED CC(C)(C)c1ccc(OC(=O)CCCC#N)cc1 291020799 CMYSLPVKFBWIHR-UHFFFAOYSA-N 245.322 3.583 30 20 BHED CC(C)C[C@H](C)COc1ccc(C#N)cc1 304187950 SWEBFRGCLZWJFZ-LBPRGKRZSA-N 217.312 3.619 30 20 BHED C=C(CC)CN[C@H](c1cccs1)C1CC1 309117388 MDAUMOATQHJCRI-ZDUSSCGKSA-N 221.369 3.755 30 20 BHED C=C(CC)CN[C@@H]1C[C@H](C)c2c(C)ccc(O)c21 313483971 NPVQAFDACKXWFV-QWHCGFSZSA-N 245.366 3.805 30 20 BHED CCC1CC(N[C@H](CCC#N)c2ccccc2)C1 342701328 RXTWJCRCVZAECV-AVVWSFFYSA-N 242.366 3.810 30 20 BHED C=CCC[C@H](N[C@@H]1CC[C@@H](F)C1)c1ccco1 348317174 JARSHAOAZTWRRP-UPJWGTAASA-N 237.318 3.767 30 20 BHED CCC[C@@H]1[C@@H](C)CCCN1CC1(C#N)CCC1 450559965 HAIWYDVGZWVQFE-UONOGXRCSA-N 234.387 3.581 30 20 BHED CC#CCCN(C1CC1)[C@@H]1CCc2ccccc21 462308929 AXHAPAZMEWLFIS-QGZVFWFLSA-N 239.362 3.552 30 20 BHED C=CCC[C@@H](CC)N[C@@H]1CC(C)(C)OC1(C)C 495428277 WJLCARVZNUNWJR-CHWSQXEVSA-N 239.403 3.667 30 20 BHED C=CCCN(C)CCSC1CCCCC1 501884166 CIONNQQPUAAKTP-UHFFFAOYSA-N 227.417 3.560 30 20 BHED C=C(C)CCN1CCC[C@H]1c1ccc(F)cc1 509840911 WNSXEFGKOUBYIS-HNNXBMFYSA-N 233.330 3.929 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@@H]1CCC(C)=C(C)C1 518773225 DIEUBPHOIGKOEB-CABCVRRESA-N 247.382 3.690 30 20 BHED CC[C@H](COc1ccccc1C#N)CC(F)F 594879057 NIYCYCDUEJRYCE-JTQLQIEISA-N 239.265 3.618 30 20 BHED C=CCC[C@@H](NC[C@@H](C)C1CC1)c1ccco1 671743820 VZOZXCQPUMBZSG-TZMCWYRMSA-N 233.355 3.923 30 20 BHED C=C(C)CN(C)C[C@H](C)c1cccc(Cl)c1 682163587 BJJHOXQPGLEAIM-LBPRGKRZSA-N 237.774 3.951 30 20 BHED C=CCCC(CC)=NNCCCc1ccccc1 729145720 BGVLMYNMHBLDRH-UHFFFAOYSA-N 244.382 3.941 30 20 BHED C#CC(C)(C)NC(=O)C[C@H](C)CCCCCC 733978741 UNTYCPIRIGGONU-CYBMUJFWSA-N 237.387 3.511 30 20 BHED C=C[C@H](C)N[C@H](C)c1cc(C)c(OC)cc1C 753671315 WUVWKEIWZZGDCU-QWHCGFSZSA-N 233.355 3.537 30 20 BHED CC(CC1CCC1)=NNc1c(F)cccc1F 758369656 IFLUIUYRJCHYDF-UHFFFAOYSA-N 238.281 3.943 30 20 BHED CCCCCCCCCC=NN1CCCC1=O 769594184 ZHWMKVIOLCKJFK-UHFFFAOYSA-N 238.375 3.735 30 20 BHED C#CC[C@H](N[C@@H](C)CCCC)c1ccccc1 773115191 MXUFBZGVSHJKLP-HOCLYGCPSA-N 229.367 3.919 30 20 BHED C=C(CC)COC(=O)c1cc(Cl)ccc1F 773456553 MKBVFYBPCIBNRB-UHFFFAOYSA-N 242.677 3.602 30 20 BHED CC[C@H]1CCC[C@@H](C=NOCC(F)(F)F)C1 783855887 PLWPPGAWSOFGAJ-VHSXEESVSA-N 237.265 3.768 30 20 BHED CC[C@H](C)NN=C1CC[C@@H](C)C[C@H]1CC 790191874 ZAAHBBXQALQJEP-GRYCIOLGSA-N 210.365 3.577 30 20 BHED C=CCCCCCCNC(=O)c1ccccc1C 805219585 QGPAHYWIJZSTFG-UHFFFAOYSA-N 245.366 3.861 30 20 BHED N#C[C@H]1CCC[C@@H](OC(=O)C2CCCCCC2)C1 839049131 HOJYAFPYHWPGEU-GXTWGEPZSA-N 249.354 3.582 30 20 BHED CCCCCCCCCS(=O)(=O)C(C)(C)C 853022339 JQWFVRPDGYEZBM-UHFFFAOYSA-N 248.432 3.950 30 20 BHED C[C@@H]1C[C@@H]1c1ccc(C=NOC(C)(C)C)o1 1319685004 JFYCQJABRIPDKI-KOLCDFICSA-N 221.300 3.552 30 20 BHED C=CCC[C@H]1CCCN1C(=O)C[C@H](C=C)CC 1337549121 BJTGGYALOGDGMQ-KGLIPLIRSA-N 235.371 3.546 30 20 BHED CCN(CCC#N)CCC1C[C@H](C)C[C@@H](C)C1 1459603244 PJFZPAOJGYYOLD-ZIAGYGMSSA-N 236.403 3.684 30 20 BHED Cc1ccc(Oc2ncc(C#N)cc2F)cc1C 1651300732 OHMZTAXFGKPXEJ-UHFFFAOYSA-N 242.253 3.502 30 20 BHED CC[C@@H]1CCCC[C@H]1NCc1ccccc1C#N 42579582 VFBJKSHNFUPLHI-CZUORRHYSA-N 242.366 3.617 30 20 BHED Cc1cccc(/C=C/C(=O)c2ccccc2O)c1 44602964 HDDWDDWMOLWPOL-MDZDMXLPSA-N 238.286 3.597 30 20 BHED C=CCNc1ccc(Br)cc1Cl 50521825 MAXLMCRNMCHVEV-UHFFFAOYSA-N 246.535 3.700 30 20 BHED CCCCN(Cc1ccc(C#N)cc1)C(C)C 58398234 CJNHIRPGPUYCTQ-UHFFFAOYSA-N 230.355 3.569 30 20 BHED C=C(C)CN[C@@H](C)c1ccc(C)cc1C 96034164 YRGWJEDAGZJQDT-ZDUSSCGKSA-N 203.329 3.530 30 20 BHED C=CCSCc1coc(-c2ccccc2)n1 114756517 NHDUJVLHTYHHON-UHFFFAOYSA-N 231.320 3.761 30 20 BHED C=C(Cl)CN[C@@H]1CCC[C@@H]1CCCC 129758402 NJNROBZFAGZSPH-NWDGAFQWSA-N 215.768 3.687 30 20 BHED C=CCCC[C@@H](C)NCc1cc(C)oc1C 133593221 GUHVFCXCTWWAJX-LLVKDONJSA-N 221.344 3.731 30 20 BHED Cc1cccc(OCCCC(C)(C)C#N)c1F 182961138 VXMWKTPXYYXBOH-UHFFFAOYSA-N 235.302 3.843 30 20 BHED C#CCC(C)(C)C(=O)N[C@H](CCC)CCCC 185976050 ALZSWLKOXCULNO-CYBMUJFWSA-N 237.387 3.511 30 20 BHED C#CCCCCN[C@@H](CCC)c1ccsc1 187795038 RHZURSCTJPYEHS-AWEZNQCLSA-N 235.396 3.982 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc(OCC)cc1 189754090 MGCWAEPKDMJKIP-HNNXBMFYSA-N 247.338 3.626 30 20 BHED N#CCCCSCc1cc(F)cc(F)c1 191024295 NUGRYKYBPFPSHW-UHFFFAOYSA-N 227.279 3.502 30 20 BHED C=CCC1(c2nc(C3CCCC3)no2)CCC1 191246264 KCGCYEZVJCCOBW-UHFFFAOYSA-N 232.327 3.725 30 20 BHED N#C[C@H]1CCC[C@H](NC2CCCCCCC2)C1 192591821 QVBGCXCMHOZYTO-ZFWWWQNUSA-N 234.387 3.771 30 20 BHED C[C@H]1CN(CCC(C)(C)C#N)[C@H]1c1ccccc1 272012617 KVXNZQQVPAQLLY-DZGCQCFKSA-N 242.366 3.619 30 20 BHED C=CCOc1ccc(OCCC(C)(C)C#N)cc1 281723009 AFXHVWXUICVASM-UHFFFAOYSA-N 245.322 3.570 30 20 BHED C=C(Br)CSc1ccccc1F 307743634 MKYOQFMBQKWCJW-UHFFFAOYSA-N 247.132 3.826 30 20 BHED C=CCCCCCCNc1ncc(Cl)cn1 309224334 RLRIWYUUUSWFRS-UHFFFAOYSA-N 239.750 3.678 30 20 BHED C=CCSCCN[C@H]1C[C@H](C)c2ccccc21 310195691 QZHQNYIVXQVJSB-WFASDCNBSA-N 247.407 3.744 30 20 BHED Cc1c(Cl)ccc2c1N(CCCC#N)CCC2 346550519 WEFWDYKEJXXCLO-UHFFFAOYSA-N 248.757 3.705 30 20 BHED C=CCN(Cc1ccc(C)nc1)c1ccccc1 355032503 AXPMLRHAYWHYAL-UHFFFAOYSA-N 238.334 3.583 30 20 BHED C=C(Cl)CN[C@@H](C)c1ccccc1SC 380240635 NEJKQAGJRXMADN-JTQLQIEISA-N 241.787 3.812 30 20 BHED CCC(CC)[C@@H](NCCC#N)c1ccccc1 411446180 IJCFPMTZRPQEKG-OAHLLOKOSA-N 230.355 3.667 30 20 BHED Cc1cccc(C)c1[C@H](C)N[C@@H](C)CCC#N 411526597 MJWNJNHXQMVPBN-KBPBESRZSA-N 230.355 3.646 30 20 BHED CCC[C@H]1CCC[C@H]1NCc1ccc(C#N)s1 421881854 PHPUUYXDGWEQOO-SMDDNHRTSA-N 248.395 3.678 30 20 BHED CCCCCN(C)[C@H](C)c1cccc(C#N)c1 425533297 KOPCSHIWGIAJST-CYBMUJFWSA-N 230.355 3.741 30 20 BHED CC#CCCSC[C@@H](C)c1ccccc1 462381068 YYSOUGWVFVHUTK-CYBMUJFWSA-N 218.365 3.937 30 20 BHED CCCCCc1ccc(NC(=O)[C@H](C)C#N)cc1 510368401 YZWRFZICORVDSK-GFCCVEGCSA-N 244.338 3.517 30 20 BHED C=CC[C@@H]1N(CCC(C)(C)C#N)CCCC1(C)C 554264960 XABBZDCYWUXDNG-AWEZNQCLSA-N 248.414 3.993 30 20 BHED C[C@@H](C#N)CNCc1ccc(C2CCCC2)cc1 580519485 SXGVIYGQIGKNBX-ZDUSSCGKSA-N 242.366 3.593 30 20 BHED CCC[C@@H](C)N[C@H](CC)c1ccc(C#N)cc1 618561465 WPEMLBOEMWJWIK-IUODEOHRSA-N 230.355 3.788 30 20 BHED C=CCN(C(=O)[C@@H]1CCCC1(C)C)C(C)(C)C 622944836 HJCAEPGGPSCZNR-LBPRGKRZSA-N 237.387 3.626 30 20 BHED C=CCCN[C@@H]1CC[C@@](C)(c2ccccc2)C1 658113659 IETWNKYABZIROG-HZPDHXFCSA-N 229.367 3.663 30 20 BHED CC(C)C1CCC(=NO[C@@H]2CCCCO2)CC1 755813088 CLZYDCCKWUCJBK-TYZXPVIJSA-N 239.359 3.732 30 20 BHED CCC(C[C@H](C)CC)=NO[C@@H]1CCCCO1 755816297 DQKIZIPDCUXOCB-DGCLKSJQSA-N 227.348 3.732 30 20 BHED CC(C)CC(CC(C)C)=NOCC(F)F 758904654 REMBDOBYJXKJMX-UHFFFAOYSA-N 221.291 3.716 30 20 BHED CC[C@H]1C[C@@H](C)CCC1=NOCc1cccnc1 769583096 CCPVVELENMWCBX-JSGCOSHPSA-N 246.354 3.800 30 20 BHED CCC[C@H](C=NOCCOCC)c1ccccc1 774417253 KTEHTYAYHQDNLN-OAHLLOKOSA-N 249.354 3.609 30 20 BHED c1ccc2c(c1)CCCC2=NOC1CCCC1 774597730 WZZMPNQXWGEXRP-UHFFFAOYSA-N 229.323 3.686 30 20 BHED C=C(Cl)CN[C@@H]1CC[C@@H](Cc2ccccc2)C1 780530226 SEIDBXCOXIJRIT-LSDHHAIUSA-N 249.785 3.740 30 20 BHED CCCC[C@@H](CC)COC(=O)c1ccc(C#N)o1 796154349 PLMLDCNXJUWLEY-LLVKDONJSA-N 249.310 3.524 30 20 BHED CC[C@@H]1CCC1=NNc1cccc2cnccc12 807970726 UQWDGFNEUZVENX-LLVKDONJSA-N 239.322 3.823 30 20 BHED CCCC[C@H](C)[C@@H](C)NCc1ccc(C#N)cc1 808676834 LRCNRFCDNUDHJZ-UONOGXRCSA-N 244.382 3.863 30 20 BHED C[C@H](C=NOC/C=C/Cl)c1ccc(F)cc1 811671622 HXPQGPOQGNUDHH-SQIOTASVSA-N 241.693 3.684 30 20 BHED CC[C@@H](C)C(C)=NNc1ccnc(Cl)c1 853394118 HIHXCVYQGXDFPV-MRVPVSSYSA-N 225.723 3.569 30 20 BHED F[C@@H]1CCCC1=NNc1cccc2cnccc12 872351391 VTSZMQHYLTWEEH-GFCCVEGCSA-N 243.285 3.525 30 20 BHED C=C[C@H](CC)CC(=O)N(Cc1ccco1)C(C)C 931002338 CSCZWODEHNYQDT-CYBMUJFWSA-N 249.354 3.619 30 20 BHED C=C(C)CCC(=O)Nc1ccc(CSC)cc1 1337114850 NYYUGBYNHHIAPN-UHFFFAOYSA-N 249.379 3.844 30 20 BHED C[C@@H](CN(CCC#N)CC(C)(C)C)C(C)(C)C 1644669211 GXCRFGDRUSFEJE-ZDUSSCGKSA-N 238.419 3.930 30 20 BHED C[C@@H](C#N)N(CC[C@@H]1CCC[C@@H](C)C1)C1CC1 1654165047 LLXJLMMCSAOTFM-RDBSUJKOSA-N 234.387 3.579 30 20 BHED CCCCC[C@H](C)NCc1cccc(C#N)c1 35141485 DOONMKWCSIEDQQ-ZDUSSCGKSA-N 230.355 3.617 30 20 BHED CC(C)CSCCCOc1cccc(C#N)c1 37143742 UDBMTIKEZYWIIS-UHFFFAOYSA-N 249.379 3.716 30 20 BHED C=C(C)CN(CC)Cc1cccc(Cl)c1 61758531 YOAADOCFMSGALC-UHFFFAOYSA-N 223.747 3.738 30 20 BHED C[C@@H]1CCC[C@H]1Nc1ccc(C#N)c(Cl)c1 82424935 HJXIBMFSAQCDNL-NOZJJQNGSA-N 234.730 3.812 30 20 BHED Oc1ccc(Cl)cc1/C=N\C1CCCCC1 100236878 GJFRLXUGHWKJMG-DHDCSXOGSA-N 237.730 3.797 30 20 BHED Cc1cc(Nc2cccc(F)c2C#N)ccc1F 112671054 DVIFJXGVHSBEKU-UHFFFAOYSA-N 244.244 3.889 30 20 BHED Cc1ccc([C@@H](C)NCC(C)(C)C#N)c(C)c1 122276410 NLKILOVHQWAYDW-CYBMUJFWSA-N 230.355 3.504 30 20 BHED C=C(C)CNCc1ccc(F)c(C(F)(F)F)c1 122536643 LBPZPHSTVZRRHE-UHFFFAOYSA-N 247.235 3.510 30 20 BHED C=CCCN[C@H](C)c1cc(C)cc(C)c1 162249677 NGUUXHOCGNPLQC-CYBMUJFWSA-N 203.329 3.530 30 20 BHED C=C(C)CCOc1cc([N+](=O)[O-])ccc1Cl 168003363 IBIGCLTXNMKSNN-UHFFFAOYSA-N 241.674 3.593 30 20 BHED CC1CCC(N(CCCCC#N)C2CC2)CC1 171033124 NUMLHHUKYHBARN-UHFFFAOYSA-N 234.387 3.723 30 20 BHED C=C[C@](C)(CC)C(=O)N1C[C@@H](C)CCC[C@@H]1C 187955089 HAEDDDPYFOOCQI-KCQAQPDRSA-N 237.387 3.626 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc(C)cc1C 189753488 RGSKSICYMFKMLD-OAHLLOKOSA-N 231.339 3.844 30 20 BHED CC(C)CCSCCOc1ccccc1C#N 195594942 YEKAKKHEASSWDF-UHFFFAOYSA-N 249.379 3.716 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccccc1 196357514 GSMCIOTVJSEPSR-TZMCWYRMSA-N 203.329 3.692 30 20 BHED CC(C)N(C/C=C\Cl)Cc1ccc(C#N)cc1 221770881 ADRYZGHUXJEQJG-BAQGIRSFSA-N 248.757 3.521 30 20 BHED C=CCSCCN[C@H](c1ccccc1)C(C)C 223157367 YBAVNWZPGTWONO-HNNXBMFYSA-N 249.423 3.893 30 20 BHED C#CCCCCN[C@H]1CCC[C@@H](C(C)C)C1 232735560 PHCPSAOCTZJYKB-CABCVRRESA-N 221.388 3.594 30 20 BHED C[C@H](CC(C)(C)C)Nc1cccc(OCC#N)c1 295531016 WSGHAVRATQYMQL-GFCCVEGCSA-N 246.354 3.826 30 20 BHED CCC[C@@H](C)CC(=O)Nc1ccc(CC#N)cc1 299473706 CRPIPLOUHAMLDR-GFCCVEGCSA-N 244.338 3.517 30 20 BHED C/C(=C\Cl)C[C@]1(C=O)CCC[C@H]1C 307539916 ZNYICGVNIYBVOY-HDNGXNTCSA-N 200.709 3.524 30 20 BHED C=CC[C@H](C)[C@H](C)NCC1CC(C)(C)C1 308849554 NSFKTASRBJFNBD-RYUDHWBXSA-N 209.377 3.613 30 20 BHED C=CCC[C@@H](CC)N[C@H](C1CC1)C(F)(F)F 310003590 FSCGAIDVVGSPQB-GHMZBOCLSA-N 235.293 3.662 30 20 BHED Cc1cc(OCCCCF)c(C)c(C)c1C#N 310260098 ZEZBYICRRIMENG-UHFFFAOYSA-N 235.302 3.612 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1ccccc1OC 310821058 HLEVHFNLUDGUDQ-CYBMUJFWSA-N 247.382 3.948 30 20 BHED C[C@@H](c1cccc(Cl)c1)N(C)CC1(C#N)CC1 343138053 GTCCFWDCFWFFFR-NSHDSACASA-N 248.757 3.637 30 20 BHED C=CCCCCC[C@H](C)N[C@H](CC)CC#N 381370528 ICZGVMUROVIMRF-UONOGXRCSA-N 222.376 3.793 30 20 BHED C=C(C)CCN[C@H]1C[C@@H](C)c2ccccc21 386712633 PVFXCEWNVXUSTB-DOMZBBRYSA-N 215.340 3.791 30 20 BHED C=CCC[C@@H](CCC)NCc1occc1C 390454013 BPBBIPPEVHSGSZ-CYBMUJFWSA-N 221.344 3.813 30 20 BHED C[C@@H](CCC1CC1)N[C@@H](C)c1cccc(C#N)c1 398110610 YIWRKXZSIFIUBO-STQMWFEESA-N 242.366 3.788 30 20 BHED CC(C)(C#N)CCOc1cccc(C2CC2)c1 424100926 LYBNNHYVECXUSS-UHFFFAOYSA-N 229.323 3.883 30 20 BHED C=C(C)C(C)(C)c1nc(C2CCCCC2)no1 424224040 RIVARPDOCIQVQD-UHFFFAOYSA-N 234.343 3.971 30 20 BHED C=C(C)CN(C)[C@@H](C)c1ccc2c(c1)CCC2 445460763 CWDLPTUJLNQVEJ-ZDUSSCGKSA-N 229.367 3.744 30 20 BHED C[C@@H](CC1CCCCC1)NCc1ccc(C#N)o1 447090612 YUBSQWPNLZOCIK-LBPRGKRZSA-N 246.354 3.600 30 20 BHED CC(C)(C)C[C@@H]1CCCN1CC1(C#N)CCC1 450320449 VTJACWADGDNKTK-ZDUSSCGKSA-N 234.387 3.581 30 20 BHED C=CCCC1(C(=O)NC[C@H]2CCCC[C@@H]2C)CC1 475173705 LWXMGIJEXIYZHQ-UONOGXRCSA-N 249.398 3.675 30 20 BHED C=C(C)CCN(CC)Cc1c[nH]c2ccccc12 510810763 KIYRUHJBZZMMQE-UHFFFAOYSA-N 242.366 3.956 30 20 BHED C=CCCCN(CCc1ccc(F)cc1)C1CC1 522779184 QNAALIKMVVDZSL-UHFFFAOYSA-N 247.357 3.799 30 20 BHED CCC[C@H](CCc1ccccc1)NCCCC#N 545192145 UNKCSHXDFSPALH-MRXNPFEDSA-N 244.382 3.681 30 20 BHED N#CCCNc1ccc(CCC(F)(F)F)cc1 584525464 JOQPJXOFZSWVJX-UHFFFAOYSA-N 242.244 3.507 30 20 BHED CCC(C)(C)c1ccc(CN[C@@H](C)CC#N)cc1 611059297 DHKRADAEPGITQE-ZDUSSCGKSA-N 244.382 3.766 30 20 BHED C=CCC1(NC(=O)[C@@H]2CC23CCCC3)CCCC1 619107723 ILVTXLWZCPZYFS-ZDUSSCGKSA-N 247.382 3.572 30 20 BHED CCCCCCCC(=O)N1CCC[C@H](C)CC1 745100403 PFZNNMVDLHVHSP-AWEZNQCLSA-N 239.403 3.996 30 20 BHED Cc1cc(F)ccc1NN=C1CC2(CCC2)C1 750938732 NHNVWXBTSHGIAR-UHFFFAOYSA-N 232.302 3.866 30 20 BHED C=CCN(C(=O)C(C)=C(C)C)c1ccccc1 751116688 UOEHMLQURHDPFR-UHFFFAOYSA-N 229.323 3.562 30 20 BHED C#C[C@H](CC)NC(=O)[C@](C)(CC)CCCCC 754394219 SZDXNCAOASHLBF-UKRRQHHQSA-N 237.387 3.511 30 20 BHED CCCCCC[C@H]1CCCC1=NNC[C@H](C)C#N 771107308 LQJZAWLLOGTCQM-KGLIPLIRSA-N 249.402 3.862 30 20 BHED C#CCCCCN[C@@H]1CCC[C@@H]1c1ccccc1 773042523 WDCFYEQRVLLMFJ-IAGOWNOFSA-N 241.378 3.716 30 20 BHED CC(C)c1ccc(CC=NOCC2CC2)cc1 814243872 QYHHIELYHNVFEZ-UHFFFAOYSA-N 231.339 3.765 30 20 BHED CC(C)[C@H]1CCCC1=NOCCC1CC1 814247273 YYAKSEKSJAHWET-GFCCVEGCSA-N 209.333 3.615 30 20 BHED CC[C@@H](C=NOC/C=C\Cl)c1ccccc1 814933903 DXAXGYMAISXDDQ-QOHUTEGGSA-N 237.730 3.935 30 20 BHED C=C(C)c1ccc([C@H](O)CC(F)(F)F)cc1 844235405 AWRJFDSAWBUFAN-LLVKDONJSA-N 230.229 3.706 30 20 BHED CC(C)C(C)(C)C(=O)O[C@H](C)CC(C)(C)C#N 851204993 BOQPZOLCRZCFNR-LLVKDONJSA-N 239.359 3.540 30 20 BHED C=CC[C@@H]1CCCCC1=NO[C@@H]1CCCCO1 853325768 OYKPVDHBRHYWBO-TZMCWYRMSA-N 237.343 3.652 30 20 BHED CCCc1nccn1CCCCC1(C#N)CCC1 901517907 NTCYIEWCIWXCFR-UHFFFAOYSA-N 245.370 3.700 30 20 BHED C=CCSCCCCC1(C#N)CCC1 901765273 GAWIKQWZJSSEBU-UHFFFAOYSA-N 209.358 3.770 30 20 BHED C#CCCCCC(=O)N1CCC[C@]1(C)CC(C)C 1261269295 JVDRPLXBQQSQOQ-MRXNPFEDSA-N 249.398 3.607 30 20 BHED C=C(Cl)CSc1ccc(C#N)c(C)c1 1473048845 DBUJDSBFGJPLQH-UHFFFAOYSA-N 223.728 3.711 30 20 BHED CCC1(CC)CCCN([C@H](C)CCC#N)CC1 1473386847 ZLIPMGLVUOESCH-CQSZACIVSA-N 236.403 3.971 30 20 BHED N#Cc1ccc(NCc2ccc(Cl)cc2)cc1 17524509 UOUBBYZFUBCCIG-UHFFFAOYSA-N 242.709 3.824 30 20 BHED CCc1ccc([C@H](C)NCCCCC#N)cc1 42224822 IHMJYTFWPVYABI-ZDUSSCGKSA-N 230.355 3.593 30 20 BHED N#CCCCCSCc1ccc(F)cc1C#N 161718505 LTHHRLAHOVRRFG-UHFFFAOYSA-N 248.326 3.624 30 20 BHED CC(C)(C#N)CNCc1ccc(C(C)(C)C)cc1 168936754 SGWGIWWVJHHFGN-UHFFFAOYSA-N 244.382 3.623 30 20 BHED C=CCCC(=O)N(CC1CC1)C1CCCCC1 170804400 FLRBVCAOYHSXHN-UHFFFAOYSA-N 235.371 3.524 30 20 BHED C=C(Cl)CSCc1nc(C)c(C)s1 176417501 KNRRTJSJCBPBGP-UHFFFAOYSA-N 233.789 3.746 30 20 BHED CC1(C)CCC/C(=C\c2cccc(C#N)c2)C1=O 177021654 QXXJFDVGCLZVCX-GXDHUFHOSA-N 239.318 3.721 30 20 BHED CC1(C)CCC/C(=C\c2ccc(C#N)s2)C1=O 177021915 SBCFFOLWNBYQHO-CSKARUKUSA-N 245.347 3.782 30 20 BHED C=C(C)CS[C@@H](C)C(=O)Nc1ccccc1C 177872540 TVQVWJARIFZZCB-LBPRGKRZSA-N 249.379 3.631 30 20 BHED C=CCSCCNCC[C@@H](C)c1ccccc1 219396771 IHCIJYPGCXZFKQ-CQSZACIVSA-N 249.423 3.689 30 20 BHED CCOc1cccc(N=Cc2ccccc2O)c1 255303809 PBYIZEBVMDQNOI-UHFFFAOYSA-N 241.290 3.542 30 20 BHED C=C(C)COc1ccc(Cl)c(Cl)c1 301581256 NCILNRIIMDTACJ-UHFFFAOYSA-N 217.095 3.948 30 20 BHED C=CCCCCCCNCc1scnc1C 309182345 FVUJKXALZQWGMU-UHFFFAOYSA-N 238.400 3.678 30 20 BHED Cc1c(Cl)cnc(N[C@H]2CCC2(C)C)c1C#N 343816214 ZNCSNBHCEYUQJR-NSHDSACASA-N 249.745 3.516 30 20 BHED N#Cc1cccnc1NCCCCC1CCCC1 361178089 KHKCJPADNSEAIY-UHFFFAOYSA-N 243.354 3.726 30 20 BHED CC[C@H](NC[C@H]1CC1(C)C)c1ccc(C#N)cc1 447581811 WIIWYPBVDWFQJK-CABCVRRESA-N 242.366 3.645 30 20 BHED C=CCC1(C(=O)N2CCCC[C@@H]2C)CCCC1 449068847 UTEPIAJFUJYMRU-ZDUSSCGKSA-N 235.371 3.524 30 20 BHED C=CCCCCNC(=O)c1cc2ccccc2o1 471686583 FUDACITVUDSOHQ-UHFFFAOYSA-N 243.306 3.519 30 20 BHED C=C[C@H]1CCCCN1C(=O)c1cc(C)c(C)s1 488827959 BGPQSUZPWAIOPT-LBPRGKRZSA-N 249.379 3.546 30 20 BHED C=C[C@@H]1CCCCN1Cc1c(F)cccc1F 489421499 CMAXJWWCUDSIGO-LLVKDONJSA-N 237.293 3.505 30 20 BHED C=C(C)CCN(C1CC1)[C@@H](C)[C@H](C)CC 509650015 GTSHAJYYEZKTFV-OLZOCXBDSA-N 209.377 3.852 30 20 BHED CCCc1ccc(Cn2cc(C)c(C#N)c2)cc1 539760639 FXHLZKFJQCDSHB-UHFFFAOYSA-N 238.334 3.669 30 20 BHED C[C@H](CCC#N)N1CC[C@H](C2CCCCC2)C1 595738785 NVLLAKFSAHZYSW-HIFRSBDPSA-N 234.387 3.581 30 20 BHED C=CCCSCc1cccnc1C(F)(F)F 600622089 FISGZVAKRFTXKP-UHFFFAOYSA-N 247.285 3.910 30 20 BHED C=CCCC(C)(C)NC(=O)c1cccn1C(C)C 620857816 KIQIAUVBSKPTGA-UHFFFAOYSA-N 248.370 3.544 30 20 BHED C[C@H](CC(C)(C)C#N)NCC1(C)CCCCC1 695810160 CRLZOXYSBXFPIV-CYBMUJFWSA-N 236.403 3.875 30 20 BHED CC[C@H](C)C(C)=NNc1cccc([N+](=O)[O-])c1C 727972843 HOAYWBWZFOLQHG-VIFPVBQESA-N 249.314 3.737 30 20 BHED CCCCCCCCC(=O)N[C@@H]1CC=CCC1 736058684 NUYUWYYPSTYCMN-CQSZACIVSA-N 237.387 3.962 30 20 BHED CCCCCCCCOC(=O)C1(C#N)CCC1 736838813 HVTCHAVDQJVQNX-UHFFFAOYSA-N 237.343 3.584 30 20 BHED C=C(C)CCOC(=O)[C@@H](C)c1ccc(CC)cc1 744304479 OTXRMJDVHHVJFN-ZDUSSCGKSA-N 246.350 3.862 30 20 BHED CC[C@@H](C)C=NNc1ccc(C(F)(F)F)cn1 755487845 HKURIAQQTJAUDG-MRVPVSSYSA-N 245.248 3.544 30 20 BHED CCCCC=NNc1cccc(C(F)(F)F)n1 755741024 ZZDZESYNDYBABS-UHFFFAOYSA-N 245.248 3.688 30 20 BHED CC(C)ON=Cc1ccc(Cl)c(Cl)c1 761854176 FEYQZSDNUCUHON-UHFFFAOYSA-N 232.110 3.752 30 20 BHED C[C@@H]1CC(=NOC2CCCC2)C[C@@H](C)C1 774596704 KDZXCGLGBFDHBD-QWRGUYRKSA-N 209.333 3.758 30 20 BHED C#CCCCCCC(=O)N[C@@H](C)C[C@@H](C)CC 779921892 DUGIFFFXRRWXHQ-KBPBESRZSA-N 237.387 3.511 30 20 BHED CCSCCC=NNc1cc(C)ccc1F 781125174 JNZKKRQEEPOGPS-UHFFFAOYSA-N 240.347 3.675 30 20 BHED C=C[C@@](C)(CC)C(=O)Oc1ccc(C)cc1C 786611296 WZAUVBLYCLZQBL-HNNXBMFYSA-N 232.323 3.811 30 20 BHED CC[C@H](C)NN=C(C)c1ccc(SC)cc1 790191871 YZYQJPURQJGAQU-JTQLQIEISA-N 236.384 3.521 30 20 BHED CC[C@H]1CCCCC1=NN[C@H](C)C(C)(C)C 793114042 JAFYDXUVTKYOAN-NEPJUHHUSA-N 224.392 3.967 30 20 BHED C=C(C)CN1CC=C(c2ccc(C)cc2)CC1 795391950 UYOAWKGJJODUPF-UHFFFAOYSA-N 227.351 3.660 30 20 BHED C=CC[C@@H](NC[C@H](C)CC(C)C)c1ccncc1 809620917 RAUKBZKHQCSTQW-GDBMZVCRSA-N 246.398 3.971 30 20 BHED CCC(C[C@H](C)CC)=NNC[C@H]1CCSC1 811661808 TYRCBOFBTDOHPU-VXGBXAGGSA-N 242.432 3.531 30 20 BHED C=C(C)CNc1ccccc1C(C)(F)F 834639936 CZQWFXHRDKLFGS-UHFFFAOYSA-N 211.255 3.786 30 20 BHED CC(=NOC(C)C)[C@@H](C)c1ccccc1 835001708 ZWRISDKJRATVSC-LLVKDONJSA-N 205.301 3.591 30 20 BHED C=CCCCCOc1cccc(NC(=O)OC)c1 842032169 YLSSBMGSMWIYGI-UHFFFAOYSA-N 249.310 3.600 30 20 BHED C=C(C)CON=C(C)c1csc(C(C)C)n1 844617783 BXMCEDBHYMMPEG-UHFFFAOYSA-N 238.356 3.583 30 20 BHED C=C[C@H](C)ON=C[C@@H](C)c1ccc(C)cc1 863124121 QZTAXWFZEUUJDM-OLZOCXBDSA-N 217.312 3.675 30 20 BHED C=C(C)COC(=O)C1(c2cccc(C)c2)CCC1 875615896 YEHUUZUPMDJKII-UHFFFAOYSA-N 244.334 3.536 30 20 BHED C=C[C@H](CC)CC(=O)NC[C@H](C)c1ccccc1 929367028 JXDNQOIZFURNHS-UONOGXRCSA-N 245.366 3.509 30 20 BHED CCSc1ccccc1CN(CC)CCC#N 929775411 YVSLHJAYESDIJI-UHFFFAOYSA-N 248.395 3.534 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@H]1CCC 1120711207 NNYWCXCGBHZAKA-CQSZACIVSA-N 235.371 3.546 30 20 BHED CCC[C@@H](Nc1ccc(C#N)cn1)C(C)(C)C 1186478913 JFQMCUJILZJVKG-GFCCVEGCSA-N 231.343 3.580 30 20 BHED C=C(Br)CN[C@@H](C)CCCCCC 49202649 CPMHQORWNQWCJP-NSHDSACASA-N 248.208 3.844 30 20 BHED C[C@H]1CCCC[C@@H]1N(C)Cc1ccccc1C#N 55386567 CAEUMDWDJWYMQV-BBRMVZONSA-N 242.366 3.569 30 20 BHED C[C@@H](CC#N)N(C)Cc1cc2ccccc2s1 93090568 JDEPEMJQAXUSCN-NSHDSACASA-N 244.363 3.635 30 20 BHED CCCCCCC[C@H](C)NC[C@@H]1CCCOC1 103108636 ROSJLKJOIXZVFL-GJZGRUSLSA-N 241.419 3.752 30 20 BHED C=CCCCn1cnc2cc(C)c(C)cc21 134967049 BRGWGRRWHDSOLN-UHFFFAOYSA-N 214.312 3.619 30 20 BHED C=C(C)CN[C@@H](C)c1cc2ccccc2o1 160761553 WPYLVLYDVQJAMQ-NSHDSACASA-N 215.296 3.660 30 20 BHED Cc1ccc(C(=O)/C=C/c2cccnc2Cl)o1 171350908 VESVUNSTWOCNNI-AATRIKPKSA-N 247.681 3.533 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc(C)cc1OC 187844720 VKVQWDKKZBZMQO-OAHLLOKOSA-N 247.338 3.544 30 20 BHED C=CCOc1cccc(NC(=O)C[C@@H](C)CC)c1 190026552 RGZOCZWMQFRMNY-LBPRGKRZSA-N 247.338 3.626 30 20 BHED C=C(CN[C@H]1CCc2ccccc21)c1ccccc1 211877898 NOGFPSUUYOMGGX-SFHVURJKSA-N 249.357 3.977 30 20 BHED CC[C@@H](C)CSc1cccc(C#N)c1 229754477 UUSIILMEKUQXKB-SNVBAGLBSA-N 205.326 3.696 30 20 BHED N#C[C@@H]1CC[C@H](N2CCC[C@H]2c2cccs2)C1 278591574 LCAKJWRDZFSTOB-AGIUHOORSA-N 246.379 3.577 30 20 BHED C=CCC1(C(=O)N2CCC3(CCC3)C2)CCCC1 334773380 QQPFNCPFXAFXAY-UHFFFAOYSA-N 247.382 3.526 30 20 BHED CC[C@H](N[C@H]1CCC1(C)C)c1ccc(C#N)cc1 348270689 GXPLQOGNSUIBAA-GJZGRUSLSA-N 242.366 3.788 30 20 BHED C=CCOCCCSCc1ccccc1F 359136647 SHDSWXPUTMELAU-UHFFFAOYSA-N 240.343 3.652 30 20 BHED C=CCCC[C@H](C)NCc1ccsc1C 378866047 AUHYLEYADBHABD-NSHDSACASA-N 223.385 3.891 30 20 BHED C=C(CC)CN[C@H](C)[C@@H]1CC2CCC1CC2 381879840 KHIGHVGVEDGOLE-URGYJCLVSA-N 221.388 3.757 30 20 BHED C=CCCCSCCC1CCOCC1 419401986 BSEMZUTZKGWSMW-UHFFFAOYSA-N 214.374 3.503 30 20 BHED N#CC1(CSCc2cc(F)cc(F)c2)CC1 437921456 UMZSVKPBAHXUPG-UHFFFAOYSA-N 239.290 3.502 30 20 BHED C=CCCCCCOc1ccc2cncnc2c1 447319501 QGGYXPAKEFGBCN-UHFFFAOYSA-N 242.322 3.755 30 20 BHED C[C@H]1C[C@H](C)CC[C@H]1NC1CCC(C)(C#N)CC1 449149689 OMCOBMLQWIHCPK-WJTFHPDPSA-N 248.414 3.873 30 20 BHED C=CCCCCN[C@H](C)c1ccccc1N(C)C 471593151 JAKPQCBHZRIUOO-CQSZACIVSA-N 246.398 3.760 30 20 BHED CCN(CCC#N)[C@@H](C)c1c(C)cc(C)cc1C 532566399 MYJMCNIQSGXSPB-HNNXBMFYSA-N 244.382 3.908 30 20 BHED C=CCCC1(c2nc(CCC(C)C)no2)CC1 578279817 BPDVKXJECWBQPG-UHFFFAOYSA-N 234.343 3.656 30 20 BHED Cc1ccccc1/C=C\C(=O)c1ccccc1C#N 588618042 BXNDKZDHRNWVSF-KHPPLWFESA-N 247.297 3.763 30 20 BHED CCC(CC)N(C[C@@H](C)CCC#N)C1CC1 602441591 RGHANCQXLBGPEV-LBPRGKRZSA-N 222.376 3.579 30 20 BHED C=CCCC(=O)N(C)C[C@H](C)C1CCCCC1 628982281 FRKRNAIJWQMFRS-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED O=C(/C=C\c1ccccc1Cl)c1cncs1 735792621 HATBTZUGFLTIOS-WAYWQWQTSA-N 249.722 3.693 30 20 BHED C=C(C)COC(=O)c1ccc2sccc2c1 761056717 MDWBSRGTWSNCQH-UHFFFAOYSA-N 232.304 3.634 30 20 BHED CC(CCc1ccsc1)=NOCC(C)C 764908104 IUHIVHDXJJTZDF-UHFFFAOYSA-N 225.357 3.729 30 20 BHED CC(CCC1CC1)=NOC1CCCCC1 777459267 OSIYGYXLKYEUDB-UHFFFAOYSA-N 209.333 3.902 30 20 BHED CC(C)(C)C1CCC(=NN=c2cc[nH]cc2)CC1 779811753 UADWVCIEZOEJRJ-UHFFFAOYSA-N 245.370 3.508 30 20 BHED N#Cc1cccc(NN=C2CCC23CCCC3)c1 788709102 GEBMJYLZNYVGKT-UHFFFAOYSA-N 239.322 3.680 30 20 BHED CCOc1cccc(/C=N/CCC=C(C)C)c1O 790101045 LTIZFNYIDUYKPR-LFIBNONCSA-N 247.338 3.566 30 20 BHED CCC(=NOCC(F)(F)F)c1cccc(C)c1 794920300 JDXVGLCCDPTTQB-UHFFFAOYSA-N 245.244 3.688 30 20 BHED C#CCCN(Cc1ccccc1Cl)CC1CC1 796257408 WJLYPOWCJNNABL-UHFFFAOYSA-N 247.769 3.575 30 20 BHED C=CCC(F)(F)C(=O)N[C@@H](C)CCCCCC 814877769 ZCMBXPASXTZFQF-NSHDSACASA-N 247.329 3.673 30 20 BHED Cl/C=C\CON=CCC1CCCCC1 814934692 YCEYDOYMKHXNDU-QYAIEGMASA-N 215.724 3.712 30 20 BHED CCCCCC(C)=NNc1cccc(C#N)c1 818271819 FFWFHRZHAKPKRK-UHFFFAOYSA-N 229.327 3.926 30 20 BHED CC(=NN[C@@H](C)c1ccncc1)C1CCCCC1 819816010 WCJPBENYJJTQBY-ZDUSSCGKSA-N 245.370 3.688 30 20 BHED C=C(C)CCN[C@@H](CC)c1ccc(F)cc1O 834883933 VELWUWLDAGXRKF-ZDUSSCGKSA-N 237.318 3.538 30 20 BHED CC(C)ON=C[C@@H](OC(C)C)c1ccccc1 835001837 KGIXJSOJVVBPGK-CQSZACIVSA-N 235.327 3.564 30 20 BHED C/C(=C\C(C)(C)C)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839050024 IOABGAFHCNMFDJ-FWPSRMAWSA-N 249.354 3.604 30 20 BHED C[C@@H]1CCCCC1=NNc1ccc(Cl)cn1 853437498 AKWMUFUQAWLFKW-SECBINFHSA-N 237.734 3.713 30 20 BHED CCC1(C(=O)OCCCCC2(C#N)CCC2)CC1 909051597 JSEABKBKQXJUGR-UHFFFAOYSA-N 249.354 3.584 30 20 BHED CCCCCCCC(=O)N(CC)CCC 914500865 WAAIITCDDIQJHE-UHFFFAOYSA-N 213.365 3.605 30 20 BHED CCC(=NOC(C)(C)C)c1cc(C)ccc1OC 1116458186 ZBRICXNYECRART-UHFFFAOYSA-N 249.354 3.933 30 20 BHED C=C(Cl)CN1CCC=Cc2ccccc21 1642729695 VQEQCTRCMHSNGD-UHFFFAOYSA-N 219.715 3.662 30 20 BHED C[C@H](CCC#N)CN[C@H](C)C1CCCCCC1 1657697349 XCTWYZDGUIUOBQ-ZIAGYGMSSA-N 236.403 3.875 30 20 BHED C=C(C)CNc1ccc(Cl)c(Cl)c1 41570904 PLJWKGXIGVVDHN-UHFFFAOYSA-N 216.111 3.981 30 20 BHED C[C@@H](c1cccc(Cl)c1)N(C)CCCC#N 52162378 MYHQLGNZRWEMDP-NSHDSACASA-N 236.746 3.637 30 20 BHED CC(C)CCC[C@H](C)Nc1cccc(C#N)n1 81595818 PAHDPEDLFJKACO-LBPRGKRZSA-N 231.343 3.580 30 20 BHED CCCc1ccc(NCC2(CC#N)CC2)cc1 88249591 FOAQRCLQOAWZBQ-UHFFFAOYSA-N 228.339 3.745 30 20 BHED C=CCN(C(=O)[C@@H](C)CCC)c1ccccc1 112785125 YENWSPQWMYBLEO-ZDUSSCGKSA-N 231.339 3.642 30 20 BHED C[C@H](c1ccc(C#N)cc1)N1CCCC(C)(C)C1 118399729 ZEGNPAMILOSERF-CYBMUJFWSA-N 242.366 3.741 30 20 BHED C=CCC[C@H](C)N[C@H]1CCCc2occc21 126755823 YDWFNZGFGMSQRK-AAEUAGOBSA-N 219.328 3.601 30 20 BHED N#CCCCCSCc1cccc(F)c1 161044092 OZGAFIQTVVSPQZ-UHFFFAOYSA-N 223.316 3.753 30 20 BHED N#CCCCCN(CC1CCC1)c1ccccc1 177180638 CPABWGLIQGUKRX-UHFFFAOYSA-N 242.366 3.987 30 20 BHED C=CC[C@@H](C)N[C@H]1CCCOc2ccc(F)cc21 180952098 VBUXGLNMDSJEEG-RISCZKNCSA-N 249.329 3.594 30 20 BHED C=C(C)CN(C)CC1CCC(C(F)(F)F)CC1 185563494 CGHPOCXPWGZKRC-UHFFFAOYSA-N 249.320 3.863 30 20 BHED C#CCC(C)(C)C(=O)N[C@@H](CCC)CCCC 185976069 ALZSWLKOXCULNO-ZDUSSCGKSA-N 237.387 3.511 30 20 BHED C=CCc1ccccc1OCC=C(C)C 206308194 UDULAYFNGQGISR-UHFFFAOYSA-N 202.297 3.760 30 20 BHED CC(C)C[C@@H](C)COc1ccccc1C#N 304191672 VETJQDOBFIYHHX-GFCCVEGCSA-N 217.312 3.619 30 20 BHED C=CC[C@H](CC)Nc1ncc(Cl)s1 308219026 KJMHLIHWGCWDDK-ZETCQYMHSA-N 216.737 3.563 30 20 BHED C=CCCCCC[C@H](C)NC1CC=CC1 308918066 BPNLYUIQMNTUGM-ZDUSSCGKSA-N 207.361 3.820 30 20 BHED CC(C)(C)CCCCNc1cnccc1C#N 354327433 IEZIBTWOSXEEPD-UHFFFAOYSA-N 231.343 3.582 30 20 BHED C#CCCNc1ccc(SC(F)(F)F)cc1 381801596 DKNHBROIWOYNPF-UHFFFAOYSA-N 245.269 3.734 30 20 BHED CCCC[C@H](CC)NCc1ccc(C#N)c(F)c1 404816542 BKDDIZPKWAJWLQ-AWEZNQCLSA-N 248.345 3.756 30 20 BHED N#CC1(CN[C@H]2CCCCC23CCCC3)CCC1 451052025 UVCKNXJYLCSLST-AWEZNQCLSA-N 246.398 3.773 30 20 BHED C=CC(C)(C)CN[C@@H](C)[C@@H](OC)c1ccccc1 453312583 VINGLEHMNWXIKW-DZGCQCFKSA-N 247.382 3.564 30 20 BHED CC#CCCN1CC[C@H](c2ccc(C)cc2C)C1 470995327 HUMXQNYXINYILO-INIZCTEOSA-N 241.378 3.506 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[C@@H]1CC 477114265 PAJLIEDATNPEBG-ZNMIVQPWSA-N 249.398 3.770 30 20 BHED CC1=CCC[C@@H](C)[C@@H]1CN1CCC(CC#N)CC1 527207039 YUNKGWMYVUZWAK-GDBMZVCRSA-N 246.398 3.604 30 20 BHED C=CCCC[C@@H](C)NC(=O)CCC1CCCC1 538327635 FDQNASISMREQBJ-CYBMUJFWSA-N 237.387 3.818 30 20 BHED CC(C)C1(C)CCN(CCC(C)(C)C#N)CC1 548634529 GUFDGTXOWQGZJP-UHFFFAOYSA-N 236.403 3.684 30 20 BHED CC(C)N(CCC#N)CC[C@@H](C)c1ccccc1 556082252 NJMCSAOEIKTONH-OAHLLOKOSA-N 244.382 3.804 30 20 BHED C=CCCCCN[C@H](C)c1ccc2n[nH]cc2c1 556258537 CRAWEKONGUAWIO-GFCCVEGCSA-N 243.354 3.570 30 20 BHED N#C[C@H](Sc1ccc2c(c1)CCC2)C1CC1 601072435 JZIFCPQFHHHEGY-AWEZNQCLSA-N 229.348 3.570 30 20 BHED N#C[C@H](Sc1nccc2ccccc12)C1CC1 601083496 IGQFEJXXYJUEQI-ZDUSSCGKSA-N 240.331 3.629 30 20 BHED CC(C)c1ccc([C@@H](C)NCC2(C#N)CC2)cc1 611430500 VVIHSAAPWMGKSK-CYBMUJFWSA-N 242.366 3.764 30 20 BHED C[C@H](N[C@H](C)C1CCC1)c1ccc(C#N)c(F)c1 611465883 CWVRKDMIYHREBZ-MNOVXSKESA-N 246.329 3.537 30 20 BHED C=CCCCCNCc1cc2ccncc2s1 657438110 IQORTLSLHCOCIW-UHFFFAOYSA-N 246.379 3.742 30 20 BHED C=C(CNC(=O)CC[C@H](C)CC)c1ccccc1 672481840 DDPXAMSHHRHNGR-CYBMUJFWSA-N 245.366 3.642 30 20 BHED C=CCOC(=O)C[C@@H](c1ccccc1)C(C)C 728638926 OHUKLAHIYDVSLH-CQSZACIVSA-N 232.323 3.546 30 20 BHED C#CC[C@@H](NCc1ccsc1)c1ccccc1 756996570 GZPWTPFCSJVCKW-OAHLLOKOSA-N 241.359 3.602 30 20 BHED CC[C@H]1CCCC1=NNc1cccc(F)c1 758374801 JJCNYHYSFXEVRJ-JTQLQIEISA-N 220.291 3.804 30 20 BHED CCc1ccc(C=NN[C@H](C)c2ccccc2)o1 760254086 RNXVUWQKMILLAI-GFCCVEGCSA-N 242.322 3.527 30 20 BHED C=CC[C@H]1N(C(=O)/C(C)=C\C)CCCC1(C)C 767219558 UJJQFXKEARIMFR-FFXRNRBCSA-N 235.371 3.546 30 20 BHED C=CC[C@@H]1N(C(=O)C=C2CCC2)CCCC1(C)C 767230831 ZREAKDKNEWRSOY-AWEZNQCLSA-N 247.382 3.690 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CCC[C@H](C)CC1 785613256 LZUHRBXXJXGPMB-LSDHHAIUSA-N 249.398 3.655 30 20 BHED C=CC[C@H](CC)NC(=O)C=C1CCC(C)CC1 798551145 MVDONXYLFBGKIJ-PYMCNQPYSA-N 235.371 3.594 30 20 BHED CCCC=NNc1c(C)cccc1CC 799493874 SUJHKVANJKICQP-UHFFFAOYSA-N 204.317 3.755 30 20 BHED CC(=NNCC1CCCC1)c1sccc1C 808006001 OMJLYCBTPWTEKS-UHFFFAOYSA-N 236.384 3.560 30 20 BHED CCC[C@H]1CCC[C@@H]1C(=O)OC1(CC#N)CCC1 835399828 MMAMBIQRJRYFLD-STQMWFEESA-N 249.354 3.582 30 20 BHED CC1(C)CCC[C@@H](OC(=O)C2(C#N)CCCC2)C1 836164795 MRVODQAJFVIMMX-GFCCVEGCSA-N 249.354 3.582 30 20 BHED CC[C@@H](C)C(C)=NNc1cccc(C(=O)O)c1C 844626746 BRPKUQWTRSTMEL-SECBINFHSA-N 248.326 3.527 30 20 BHED C=CC(C)(C)CCOC(=O)[C@H](C)c1ccco1 851299366 IQRJRNALTCHNJR-LLVKDONJSA-N 236.311 3.529 30 20 BHED C=CC[C@H]1CCCN(c2ccnc(Cl)c2)C1 853801671 GMOKKOVJOIQOLT-NSHDSACASA-N 236.746 3.528 30 20 BHED C=CCC(C)(C)COC(=O)C1(C)CC(F)(F)C1 873532090 CROGCKKNXINKDR-UHFFFAOYSA-N 246.297 3.567 30 20 BHED CCc1ccccc1NN=Cc1cccc(C#N)c1 915051575 HYSDHPINHCPCEE-UHFFFAOYSA-N 249.317 3.567 30 20 BHED CCCCCCCC(=O)NCCC(C)(C)C 915080245 TTWVHZWLFUNDSB-UHFFFAOYSA-N 227.392 3.899 30 20 BHED CCC(C=NNc1ccc(F)cc1)CC 916268197 PTMPXHXOLHOYGI-UHFFFAOYSA-N 208.280 3.660 30 20 BHED C=C(C)CCC(=O)N(C)[C@@H](C)c1ccc(C)cc1 1346568951 AXPXXLRPLODVBM-AWEZNQCLSA-N 245.366 3.871 30 20 BHED CC(C)CCC1CCN(CC2(CC#N)CC2)CC1 1559601661 JUZQGOWTBGURDM-UHFFFAOYSA-N 248.414 3.828 30 20 BHED C=C(C)CCNC(=O)C[C@H](C)CCC=C(C)C 34483454 PPIDIRRBEKJRTC-CQSZACIVSA-N 237.387 3.841 30 20 BHED CC(C)CSCc1cn2ccccc2c1C#N 105548621 ANIGBJKTVREKCD-UHFFFAOYSA-N 244.363 3.700 30 20 BHED CC[C@@H]1c2ccccc2CCN1CCCCC#N 114493002 CMCHKQBGPIXGQZ-MRXNPFEDSA-N 242.366 3.690 30 20 BHED C=CCC[C@@H](C)N[C@H](C)c1ccsc1 131997056 HVPCGOUUUPEVNK-GHMZBOCLSA-N 209.358 3.753 30 20 BHED C#CCCCCNC(=O)C[C@H](C)CCCCC 156653877 QYDKVFSQAMQXAL-CQSZACIVSA-N 237.387 3.513 30 20 BHED C[C@H](S[C@@H]1CCO[C@H]1C)c1ccc(C#N)cc1 163699823 UOBGCDWIVRAORO-COPLHBTASA-N 247.363 3.530 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc2ccccc2c1O 168821182 UCKORSAJFUGFMD-NWDGAFQWSA-N 241.334 3.771 30 20 BHED CC(C)(C)C1CCC(NCCCCC#N)CC1 174347755 AYQKRCFLNOCMEB-UHFFFAOYSA-N 236.403 3.875 30 20 BHED C=C(C)CN(C)C(=O)[C@@H](CC)CC1CCCC1 180435705 MJWPBGDGDNEWAT-AWEZNQCLSA-N 237.387 3.627 30 20 BHED CC#CCCCC(=O)N[C@@H]1CCC(C)(C)C[C@H]1C 185773739 VZVZJSQPGXCCJC-ZIAGYGMSSA-N 249.398 3.511 30 20 BHED CC[C@@H](C)COc1ccc(C#N)c(Cl)c1 220988365 CPDMCXAJLBVYKU-SECBINFHSA-N 223.703 3.637 30 20 BHED C[C@@H]1CCC[C@@H]1CNc1cccc(F)c1C#N 230684157 XIGSUIGYSJFSAH-GHMZBOCLSA-N 232.302 3.545 30 20 BHED C[C@@H]1CC[C@@H](N[C@H](CCC#N)c2ccccc2)C1 246544129 WBYPPNOBQWOHCW-FVQBIDKESA-N 242.366 3.810 30 20 BHED C[C@H]1C[C@@H](C)C[C@H](NCc2ccc(C#N)s2)C1 246882231 CURNYYHQMZCLGT-GDNZZTSVSA-N 248.395 3.534 30 20 BHED C=C(C)CN(CC)c1cccc(C(F)(F)F)n1 301714878 GGTZPXFZUDZCOC-UHFFFAOYSA-N 244.260 3.503 30 20 BHED C=C[C@@H](C)N[C@H](CC)c1cccc(C)c1 308785155 AQRVIMLSXIQXTG-TZMCWYRMSA-N 203.329 3.610 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)C1CCC1 308980949 ICYNJHHXDKLQPW-QWHCGFSZSA-N 209.377 3.900 30 20 BHED C=CC[C@H](CC)N[C@@H](C)Cc1ccsc1 309167899 JXDGRTSRIMAPCL-AAEUAGOBSA-N 223.385 3.623 30 20 BHED CC(C)N(CCS[C@@H](C)CCC#N)C(C)C 413005221 YSHAURYUSCYSHZ-ZDUSSCGKSA-N 242.432 3.531 30 20 BHED C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 448616118 ZTDIZEGLXGMPSQ-BFHYXJOUSA-N 249.398 3.674 30 20 BHED C=C[C@@H]1CCCCN1C(=O)CCCC1CCCC1 488874223 DDPXRMSKENFYDS-OAHLLOKOSA-N 249.398 3.914 30 20 BHED CC(C)[C@@H]1CCC[C@@H](Nc2cccc(C#N)n2)C1 524582196 DUKBHTONLHORAB-CHWSQXEVSA-N 243.354 3.580 30 20 BHED C=CCCN(Cc1ccoc1)C1CCCCC1 525635830 RZWCVJATAQSNRF-UHFFFAOYSA-N 233.355 3.990 30 20 BHED CC[C@H](C)[C@@H](C)NC1(c2cccc(C#N)c2)CC1 560265562 HKSQXWCLLRCYCP-QWHCGFSZSA-N 242.366 3.572 30 20 BHED C=CCCCCCN[C@H](C)c1cnn(C(C)C)c1 562330358 GZHZYTYBYDXRTL-CQSZACIVSA-N 249.402 3.861 30 20 BHED Cc1ccc(NC(=O)CCCCCC#N)c(C)c1 588148069 RGDADWWSMVWPQD-UHFFFAOYSA-N 244.338 3.716 30 20 BHED CC[C@@H](NCC1(C#N)CCC1)c1ccccc1F 594018543 ZAXOGVXAICWMHB-CQSZACIVSA-N 246.329 3.560 30 20 BHED N#C[C@@H]1CC[C@H](NC2CCC(C3CCC3)CC2)C1 594943412 DDEHDCGXBFYACC-KKOFPSKJSA-N 246.398 3.627 30 20 BHED Cc1cccc(C)c1[C@@H]1CCCN1CCCC#N 595599939 CJHVLXZPMLWCLV-HNNXBMFYSA-N 242.366 3.744 30 20 BHED C[C@@H](c1cccs1)N(C)C[C@H](C)CCC#N 602444247 ZVPQNARTFNEGDU-NEPJUHHUSA-N 236.384 3.681 30 20 BHED C=CCCN(CC)Cc1ccc(Cl)s1 606896434 OTHCOWRCPXYCKI-UHFFFAOYSA-N 229.776 3.800 30 20 BHED C=CCC1(NCc2nccs2)CCCCC1 648777370 RXWULBSHJQUWPD-UHFFFAOYSA-N 236.384 3.512 30 20 BHED C=CCCCC[C@@H](C)N[C@H](C)c1ccccn1 678697971 LAWIVANNMGEVCP-ZIAGYGMSSA-N 232.371 3.867 30 20 BHED C[C@@H](CC(C)(C)C#N)NCCC1=CCCCC1 695810678 GLBHKULZWWEAKX-ZDUSSCGKSA-N 234.387 3.795 30 20 BHED CC[C@H](C)C[C@H](C)N[C@@H](C)CC(C)(C)C#N 695815100 KEHWDKVPLGWNAL-AVGNSLFASA-N 224.392 3.729 30 20 BHED C=CC[C@@H](C)C(C)=NNc1cccc(OC)c1 727777462 OWCXBWMFQONEIO-LLVKDONJSA-N 232.327 3.695 30 20 BHED CCCNN=C1CCC[C@H]1c1ccc(C)cc1 741848682 YHXXAFVIKCKHSL-AWEZNQCLSA-N 230.355 3.618 30 20 BHED CC[C@@H](C)C=NNc1nccc2sccc12 755650908 OMEVXMXPPDBAMK-SECBINFHSA-N 233.340 3.740 30 20 BHED CCC[C@H](C)C(CC)=NO[C@@H]1CCCCO1 755821168 BQLWFKWPPHILDH-WCQYABFASA-N 227.348 3.732 30 20 BHED CC(C)=CCCC(C)=NO[C@H]1CCCCO1 755825583 YHFGHDDBEIIJJN-ZDUSSCGKSA-N 225.332 3.652 30 20 BHED C=C(CC)COc1ccc(NC(=O)OCC)cc1 773177396 JSRXHAKHUZJZQA-UHFFFAOYSA-N 249.310 3.600 30 20 BHED C=C(C)CN(C)C(=O)c1ccc([C@@H](C)CC)cc1 778124832 SWGBTJJKWUTOTR-ZDUSSCGKSA-N 245.366 3.848 30 20 BHED C#CCCCCCC(=O)N1CCC(C)(CC)CC1 780458647 VSSPZZCHULFBND-UHFFFAOYSA-N 249.398 3.609 30 20 BHED CC1(C=NNc2ccc(Cl)cc2)CC1 782098744 VUZBHHOXUUALNC-UHFFFAOYSA-N 208.692 3.538 30 20 BHED CC[C@@H](C)NN=C1CC(c2ccc(C)cc2)C1 790182646 FMSXHRGZCPPFNP-PUODRLBUSA-N 230.355 3.617 30 20 BHED CCCCCCCNCCCc1ccc(C)nc1 792889049 MCGKTOPVQOABAJ-UHFFFAOYSA-N 248.414 3.883 30 20 BHED COc1ccccc1CON=C[C@@H]1CC=CCC1 799118586 MFWCCHYHSFITBR-CYBMUJFWSA-N 245.322 3.554 30 20 BHED C=CCCCC(=O)Nc1ccc(F)c(CC)c1 804267856 VFLPVULJZHPLMB-UHFFFAOYSA-N 235.302 3.683 30 20 BHED C=CCCC(CCC)=NO[C@@H]1CCCCO1 814887788 RBHRFEJVCOOKNH-CYBMUJFWSA-N 225.332 3.652 30 20 BHED FC(F)CON=C1CC[C@H](c2ccccc2)C1 814904128 SWYBYDSECPLRKK-NSHDSACASA-N 239.265 3.592 30 20 BHED C=CCC1(C(=O)OC[C@@H](C)CC(F)F)CCC1 842444231 QTIQURJJSFOEAH-JTQLQIEISA-N 246.297 3.567 30 20 BHED C=C(C)CON=C1CC[C@@H]1c1ccccc1 844618174 KPPDOFAKFHMERZ-CYBMUJFWSA-N 215.296 3.513 30 20 BHED CCCC(CC)=NNc1cccc(C(=O)O)c1C 844622761 DAFCDCVHNJYAKW-UHFFFAOYSA-N 248.326 3.671 30 20 BHED C(=NOCC1CCC1)[C@H]1C[C@H]1c1ccccc1 853439443 JNQYSSQWPIUVDG-CABCVRRESA-N 229.323 3.593 30 20 BHED C=C1CCC(C(=O)N2CCC[C@H]3CCC[C@@H]32)CC1 889233100 QLXYWCIJEIZGAU-HIFRSBDPSA-N 247.382 3.524 30 20 BHED CCC[C@H](CC)C(=O)Nc1cccc(C#N)c1C 1435498098 WAICCDJGHBKBJR-LBPRGKRZSA-N 244.338 3.632 30 20 BHED C[C@@H]1CCC[C@H](CNc2ccc(CC#N)cc2)C1 89607043 YDNRMCCLYVPBOD-HIFRSBDPSA-N 242.366 3.991 30 20 BHED C=C[C@@H](C)N[C@H](CC)c1cc(C)ccc1OC 91736073 IDBZIQACYBYSJU-TZMCWYRMSA-N 233.355 3.619 30 20 BHED C=C(C)CN(CC)C(=O)Nc1ccc(C)cc1C 104969682 ZSROEXTZMOVELS-UHFFFAOYSA-N 246.354 3.733 30 20 BHED C=CCC[C@H](NC1CCCCC1)C1CC1 119820174 MZYVIMJDIZQUTL-AWEZNQCLSA-N 207.361 3.654 30 20 BHED C=C(CN[C@@H]1CCC(C)(C)C1)c1ccccc1 168435518 XRWSVPYGTNNUDP-OAHLLOKOSA-N 229.367 3.868 30 20 BHED C=CCCCN[C@@H](C)c1ccc(F)c(F)c1 181633533 XUFBJDLHFYYAPU-JTQLQIEISA-N 225.282 3.582 30 20 BHED C=CCC1(C(=O)Nc2cccc(C)c2F)CCC1 190009075 BRTIFUVRQQWMPI-UHFFFAOYSA-N 247.313 3.819 30 20 BHED C=C(C)CN1CCC(Cc2ccc(F)cc2)CC1 202357099 CIRGPHYOVLSGHV-UHFFFAOYSA-N 247.357 3.656 30 20 BHED Cc1cc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)c(C)o1 249037788 TUIOPMLIYGDDQL-YUTCNCBUSA-N 246.354 3.629 30 20 BHED C=C[C@](C)(CC)C(=O)NC[C@@H](C)c1ccccc1 276087384 TWJQFJIKCKAKIH-CZUORRHYSA-N 245.366 3.509 30 20 BHED Cc1cccc(C(=O)/C=C\c2scnc2C)c1 299736451 NPKQOCIUAMZXQM-SREVYHEPSA-N 243.331 3.656 30 20 BHED C=CCC[C@@H](CC)NCc1cscc1C 308948847 ONZLKVFVLDQQII-CYBMUJFWSA-N 223.385 3.891 30 20 BHED C=CCCCCN[C@H](C)Cc1ccccc1F 310162329 IXJGNWFZTHIVTA-CYBMUJFWSA-N 235.346 3.703 30 20 BHED C[C@@H]1CC[C@@H](Nc2cccc(CC#N)c2)[C@H](C)C1 313484390 VKGFIKHAHKGFBZ-XJKCOSOUSA-N 242.366 3.989 30 20 BHED C=C[C@@H]1CCCCN1Cc1ccsc1C 353239643 ZTVRBQZLDIOPCP-CYBMUJFWSA-N 221.369 3.597 30 20 BHED C=CCCC1(C(=O)N(C)C[C@@H]2CC=CCC2)CC1 356712220 MKYVTADFRPSEKE-CQSZACIVSA-N 247.382 3.548 30 20 BHED C=C(C)CCNc1cccc2cc[nH]c12 389831951 AMRFKAXLKNJWIP-UHFFFAOYSA-N 200.285 3.546 30 20 BHED CCCC[C@@H](C)N(C)Cc1cc(F)ccc1C#N 394063266 CRCPPBLDMCOAAW-GFCCVEGCSA-N 248.345 3.708 30 20 BHED C=CCOc1ccccc1CNC1CC(C)(C)C1 395186591 SOKPNPFNEALMIR-UHFFFAOYSA-N 245.366 3.530 30 20 BHED C/C(=C/c1ccccc1)CN(C)[C@H](C)CCC#N 411629207 BNLBDCJGQYGTEZ-IKESIWSLSA-N 242.366 3.714 30 20 BHED CC(C)CC[C@@H]1CC[C@@H](N[C@@H]2CC[C@H](C#N)C2)C1 424195104 CJUHRRCVDXGTPP-QKPAOTATSA-N 248.414 3.873 30 20 BHED C=C[C@@H]1CCCCN1Cc1ccc(OC)c(C)c1 426572694 FZUZKZCBHSNJIX-OAHLLOKOSA-N 245.366 3.544 30 20 BHED C=CC1CCN([C@@H](C)c2cccc(C)c2)CC1 441396352 UIJVRFBOBIMAQE-AWEZNQCLSA-N 229.367 3.954 30 20 BHED C[C@@H](NCC1(C#N)CCC1)c1ccccc1Cl 450504885 AYWZWHBSTQNVCO-LLVKDONJSA-N 248.757 3.684 30 20 BHED C=CC(C)(C)CN[C@@H](C)[C@H](OC)c1ccccc1 453312586 VINGLEHMNWXIKW-ZFWWWQNUSA-N 247.382 3.564 30 20 BHED C[C@@H](NC1CC2(CCC2)C1)c1ccc(C#N)cc1 459379859 BECJBDISLZXEFM-GFCCVEGCSA-N 240.350 3.542 30 20 BHED C=CCCN(C)CCc1c(F)cccc1Cl 467282835 DOGSXCBHKZJNNC-UHFFFAOYSA-N 241.737 3.530 30 20 BHED C=C(CC)CN1CC[C@@H](C(F)(F)F)C1(C)C 469993316 SWDDZZPAGGULES-SNVBAGLBSA-N 235.293 3.615 30 20 BHED C=C(C)CN(C)C/C=C\c1ccc(Cl)cc1 497129785 NLIMYXLILOINNQ-PLNGDYQASA-N 235.758 3.861 30 20 BHED C=CCCN1CCC[C@@H]1Cc1ccccc1C 525328523 ALLAAFIPEOWMOL-MRXNPFEDSA-N 229.367 3.578 30 20 BHED C=CCCN1[C@H](C)Cc2cc(OC)ccc2[C@H]1C 543848083 YMLSOJNRTHOOEI-CHWSQXEVSA-N 245.366 3.579 30 20 BHED C=C(C)CCc1noc([C@H]2CCCC2(C)C)n1 558387631 OQVFHTMJIUMCDG-LLVKDONJSA-N 234.343 3.872 30 20 BHED C=CCCCNC(=O)c1cccc(C(C)C)c1 614208984 BWSHOWKQWSRWIG-UHFFFAOYSA-N 231.339 3.506 30 20 BHED C=CCCN[C@@H](C)Cc1ccc(F)cc1Cl 658116121 ZEJPQBGOUAYSEI-JTQLQIEISA-N 241.737 3.576 30 20 BHED C=CC[C@@H](C)C(C)=NNc1ccc(OC)cc1 750924240 MHVZLBCWDRWVON-LLVKDONJSA-N 232.327 3.695 30 20 BHED CCC(CC)CNN=C1CCCC1(C)C 774466651 YBEIXALHTKPXPL-UHFFFAOYSA-N 210.365 3.578 30 20 BHED CCOc1ccc(C(C)=NOC2CCCC2)cc1 774608471 NPWXJQGFLRHRAR-UHFFFAOYSA-N 247.338 3.769 30 20 BHED C#CCCCCCC(=O)Oc1ccc(C)cc1C 779738105 HIJGMMDTMBHGCA-UHFFFAOYSA-N 244.334 3.793 30 20 BHED C[C@H](C=NNc1ccccn1)C1CCCCC1 814731491 BQTAAQGFDLKBGF-GFCCVEGCSA-N 231.343 3.696 30 20 BHED CCC(C=NNc1cccc(F)n1)(CC)CC 814927789 GNBZCUKEKPLWFX-UHFFFAOYSA-N 237.322 3.835 30 20 BHED CCC(C[C@@H](C)CC)=NN[C@@H](C)c1ccncc1 819814719 DYUJGOWFPFJZAK-STQMWFEESA-N 247.386 3.934 30 20 BHED CCCCCCC[S@](=O)CC(C)(C)C 840871662 FDMVWZNTPHOALR-AWEZNQCLSA-N 218.406 3.752 30 20 BHED C#CC[C@@H](NCCC1CCC1)c1ccccc1 851903770 ZOIYQOHRZGVRHG-MRXNPFEDSA-N 227.351 3.531 30 20 BHED CC(C)(C)CC=NNc1ccnc(Cl)c1 853394888 CDBRPVGSPUIXQZ-UHFFFAOYSA-N 225.723 3.569 30 20 BHED C=CCCNc1cnn([C@@H](C)CC)c1C1CC1 902190447 NNENBSPBHLGAGN-NSHDSACASA-N 233.359 3.720 30 20 BHED Cc1cccc(C=NNc2cccc(C)c2)c1 916255154 FZYPJTUPTZVLFW-UHFFFAOYSA-N 224.307 3.749 30 20 BHED CCC[C@H](C)[C@@H]1CCCN1C[C@H](C)CCC#N 1204675096 ZEFIMCVZQMXRDB-ILXRZTDVSA-N 236.403 3.827 30 20 BHED Fc1ccc(CCC=NOCCC2CC2)cc1 1324430776 XUCUXBYRSFUOTL-UHFFFAOYSA-N 235.302 3.561 30 20 BHED C=C[C@@](C)(CC)c1nnc(Cc2cccs2)o1 1327848277 SYTOHVMMTNMYDU-ZDUSSCGKSA-N 248.351 3.576 30 20 BHED C=C(CC)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 1520761661 QPWOGOCMCKBZJB-OAHLLOKOSA-N 243.350 3.529 30 20 BHED N#CC[C@@H](N)c1ccc2cc3ccccc3cc2c1 1690152844 AVBSLTXBDISTAH-QGZVFWFLSA-N 246.313 3.906 30 20 BHED C[C@H]1CCCC[C@H]1Nc1ccc(C#N)cc1 19950813 VJTCQBCJJOVWOO-SMDDNHRTSA-N 214.312 3.549 30 20 BHED C=C(C)CSCCCc1ccccc1 38762256 LVXNADMWRBHORC-UHFFFAOYSA-N 206.354 3.929 30 20 BHED CC(C)CN(C/C=C/c1ccccc1)CCC#N 43419657 FKLRREGHNNRGFY-UXBLZVDNSA-N 242.366 3.571 30 20 BHED N#Cc1cc(Cl)ccc1NCc1cccs1 52856956 GBDHUIMAYRNWLX-UHFFFAOYSA-N 248.738 3.885 30 20 BHED C=C(C)CN(CC)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 55293979 QXZFEJIGWREXRA-UONOGXRCSA-N 249.398 3.649 30 20 BHED CCN(Cc1cc(C#N)ccc1F)[C@@H](C)C(C)C 65298640 JEKLBCIICBUOBR-LBPRGKRZSA-N 248.345 3.564 30 20 BHED C=CCCNc1ccc(Cl)c(Cl)c1 70591337 KELUOBUOCWYFGA-UHFFFAOYSA-N 216.111 3.981 30 20 BHED CCCCCCCCCCC(=O)NC1CC1 109156132 BNALCXPCCDBWQN-UHFFFAOYSA-N 225.376 3.796 30 20 BHED C=CC1CCN(C(=O)C[C@@H]2CCC[C@@H](C)C2)CC1 110363988 IUUSVNATINWPMA-UKRRQHHQSA-N 249.398 3.627 30 20 BHED C=CC[C@H](C)N[C@H](C)Cc1ccc(Cl)cc1 131967134 GDZLDWHBJJJWLV-NWDGAFQWSA-N 237.774 3.825 30 20 BHED C=CCCCC(=O)O[C@@H](C)c1ccc(C#N)cc1 175789233 TZOBRWBXBZGVBC-LBPRGKRZSA-N 243.306 3.519 30 20 BHED CC(C)=CCC[C@@H](C)CC=Nn1c(C)nnc1C 254843082 XEZFPJOMCZUVPP-GFCCVEGCSA-N 248.374 3.501 30 20 BHED CC/C=C(/C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 255142679 NYLPXCPDJYMEKM-QJGQKNTRSA-N 243.306 3.519 30 20 BHED C=CCN(CCC#N)[C@@H](CC)c1ccc(F)cc1 292100129 GJJBGNPRXRYSRX-HNNXBMFYSA-N 246.329 3.678 30 20 BHED C=CCCCCCCN[C@H](C)c1cc(C)n(C)n1 293970146 ASPFZDPUWYEKSP-CQSZACIVSA-N 249.402 3.516 30 20 BHED C=CC(C)(C)c1nc(-c2ccccc2C)no1 296064078 XKHPKQCHSMIXMV-UHFFFAOYSA-N 228.295 3.509 30 20 BHED CCCN(Cc1ccccc1)[C@@H]1CC[C@H](C#N)C1 297775935 GKGVQSLQTPVITG-JKSUJKDBSA-N 242.366 3.591 30 20 BHED C=CCC[C@H](CC)N[C@@H]1CCC(F)(F)C1 309195436 QLDNTRXQYPTRME-WDEREUQCSA-N 217.303 3.509 30 20 BHED C=CCCCCC[C@@H](C)NC[C@H]1CCSC1 309575012 OQGQQNLWOAQLQZ-ZIAGYGMSSA-N 241.444 3.854 30 20 BHED C#C[C@H](N[C@H](C)C(C)C)c1ccc(Cl)cc1 309707170 VWJSKFJHFDAFRL-RISCZKNCSA-N 235.758 3.648 30 20 BHED C=CCC(C)(C)CNC[C@H]1CC=CCC1 310240754 IMWOXHCPFKIVFC-ZDUSSCGKSA-N 207.361 3.535 30 20 BHED CC[C@](C)(C#N)c1nc([C@H]2CCCC[C@H]2C)no1 346419801 TWZANKMOTZDUMB-UHIISALHSA-N 247.342 3.555 30 20 BHED CCCCC(CC)=NOC/C=C/Cl 379409214 CKBDBNWPUQIXLZ-IIXGYHIASA-N 203.713 3.712 30 20 BHED C=C(C)CNC(C)(C)c1cccc(Cl)c1F 381448948 GJMZTCWBXRRBLK-UHFFFAOYSA-N 241.737 3.880 30 20 BHED C=CC[C@H](CC)N[C@H](C)Cc1cccc(F)c1 393774385 DBQOOBGKGOMWMS-DOMZBBRYSA-N 235.346 3.701 30 20 BHED Cc1cc(Cl)ccc1OCC1(C#N)CCC1 418796023 RCLXCKYDWKERTN-UHFFFAOYSA-N 235.714 3.721 30 20 BHED C=CC(C)(C)CNC(=O)[C@H]1CCCC[C@H]1CC 452776945 SYOAGXBXJWEPLH-OLZOCXBDSA-N 237.387 3.531 30 20 BHED C=CC1CCN([C@@H]2CCc3ccc(F)cc32)CC1 482951078 POXUZZYHBHIZNG-MRXNPFEDSA-N 245.341 3.711 30 20 BHED C=C(C)[C@@H](N[C@H](C)CC)c1ccc(F)c(F)c1 501033534 ULECQUOZOUZHDF-QMTHXVAHSA-N 239.309 3.970 30 20 BHED Cc1cc(CN(C)[C@@H](C)C(C)(C)C)ccc1C#N 555515749 KORGDDSMSLKEQH-ZDUSSCGKSA-N 244.382 3.733 30 20 BHED C=CCCNc1cnn(C(CC)CC)c1CC 556285120 MWOBBRHDDAYNKK-UHFFFAOYSA-N 235.375 3.795 30 20 BHED N#Cc1cccc(SCC2CC=CC2)c1 594891453 VYWIEHJKJWFKOY-UHFFFAOYSA-N 215.321 3.617 30 20 BHED N#CCCCCSCCOCc1ccccc1 596373099 KXASWJAYPWRIIL-UHFFFAOYSA-N 249.379 3.630 30 20 BHED C=CCCCN1CCC[C@@H]1Cc1ccccc1C 605150956 JPFPYHXERCLAON-QGZVFWFLSA-N 243.394 3.968 30 20 BHED C=CCCCN1C[C@@H](C(F)(F)F)CC[C@H]1C 679543408 CGQYRVWFTZMAHC-MNOVXSKESA-N 235.293 3.615 30 20 BHED C[C@@H](CC1CCC1)Nc1cc(F)cc(C#N)c1 710313617 IAPCEGKZNHLZLK-JTQLQIEISA-N 232.302 3.688 30 20 BHED CCC(=NNc1ccc(C)nn1)C1CCCCC1 729937806 FSIPZWUASPOFJX-UHFFFAOYSA-N 246.358 3.543 30 20 BHED CCC(CC)NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 734366433 RPVMLLHHNSDTKA-CABNGKKXSA-N 234.387 3.577 30 20 BHED C=CC[C@@H](C)NC(=S)Nc1cc(C)cc(C)c1 734988661 ZZXXKWXYCQROBD-GFCCVEGCSA-N 248.395 3.554 30 20 BHED CC(=NOCC(C)C)c1cnc2ccsc2c1 749637139 YQVDIEKUMZSGBF-UHFFFAOYSA-N 248.351 3.693 30 20 BHED C(=NNc1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 755461117 ALBPAQDTXXDGTM-GOEBONIOSA-N 236.318 3.888 30 20 BHED CC(=NNc1cc(C)ccn1)c1cccc(C)c1 755905569 IXONUBPDQFVXLY-UHFFFAOYSA-N 239.322 3.535 30 20 BHED C=C[C@H](CC(=O)OCC1CCC1)c1ccccc1 758910233 FYQNTBDLEHSIAY-CQSZACIVSA-N 244.334 3.690 30 20 BHED C=C[C@H](CC(=O)O[C@H](C)CC)c1ccccc1 758913142 IJFXTRKXJGSURI-CHWSQXEVSA-N 232.323 3.688 30 20 BHED C=CC[C@@H](N[C@H](C)c1ccoc1)c1ccncc1 766022870 YEUOIYXUQDMBDW-IUODEOHRSA-N 242.322 3.643 30 20 BHED C=C(C/N=C/c1ccccc1O)c1ccccc1 806551284 SBAZEPGTNMCKEK-SFQUDFHCSA-N 237.302 3.525 30 20 BHED CC(=NOC/C=C/Cl)c1ccc(F)cc1C 811669350 OLRNFGPQGAQSQR-DNYIRCPOSA-N 241.693 3.627 30 20 BHED N#C[C@H]1CCC[C@H](OC(=O)CC2=CCCCC2)C1 839049730 KMMYUDNTCTZQDD-KBPBESRZSA-N 247.338 3.502 30 20 BHED C=C[C@H](C)ON=CCCCCOc1ccccc1 844622144 VITZWXSYFROILY-AWEZNQCLSA-N 247.338 3.813 30 20 BHED CC(C)c1ccccc1CN1CCC(C#N)CC1 848885779 RTCYEJRSFZTXPX-UHFFFAOYSA-N 242.366 3.546 30 20 BHED CC[C@H](C)[C@@H](C)C(=O)O[C@H](C)CC(C)(C)C#N 851207689 GBZLOEFDFLELBQ-QJPTWQEYSA-N 239.359 3.540 30 20 BHED CC[C@@H](C)CCNc1snc(Cl)c1C#N 853789719 DPECCCUVLQVQEG-SSDOTTSWSA-N 243.763 3.516 30 20 BHED C=C1CC(c2noc([C@]3(C)CC=CCC3)n2)C1 896877451 RPHKTUBRRFVYSU-CQSZACIVSA-N 230.311 3.501 30 20 BHED C=CCC(CC=C)c1nc(C2CC(=C)C2)no1 896882028 HIEIANZBJWGLRW-UHFFFAOYSA-N 230.311 3.739 30 20 BHED CC(C)CCC[C@@H](C)Nc1cccc(CC#N)n1 1116779940 WPWUVWDQUVHANZ-CYBMUJFWSA-N 245.370 3.774 30 20 BHED N#C[C@H]1CC[C@@H](N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 1621404896 ZYSGJLNPZVNSDK-UYJHQMFVSA-N 246.398 3.627 30 20 BHED CC(C)(C)c1ccc(SCCC=O)cc1 19686205 UYNFRJIGUDETQQ-UHFFFAOYSA-N 222.353 3.665 30 20 BHED CCC(CC)CN(CC)Cc1ccccc1C#N 42337955 DYUYKSOJHNJBDF-UHFFFAOYSA-N 244.382 3.816 30 20 BHED CC[C@H](Nc1cnccc1C#N)C1CCCCC1 135604579 FKJMGVGGVBICTA-AWEZNQCLSA-N 243.354 3.724 30 20 BHED N#Cc1cccc(SCc2ccccc2F)c1 177111114 ZDJDBTHLTBTHMP-UHFFFAOYSA-N 243.306 3.990 30 20 BHED CCc1ccc([C@H](CC)NCCCCC#N)cc1 178644599 RAGKJINJPSBJHW-INIZCTEOSA-N 244.382 3.984 30 20 BHED C/C=C/C=C/C(=O)NCCCCCCCC 215867022 AWQBLZLJCUQJKB-QGCGKJESSA-N 223.360 3.595 30 20 BHED C#CCCCCN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 222287194 BTUZGUOQLSNHEY-ARFHVFGLSA-N 233.399 3.738 30 20 BHED CC(C)(CCC#N)CNC1CCCCCC1 229670834 BROFKEBDQDGDBA-UHFFFAOYSA-N 222.376 3.629 30 20 BHED CC[C@H](C)[C@@H](C)NCCCCC(C)(C)C#N 234019942 CKMLUMVATZXNAM-QWHCGFSZSA-N 224.392 3.731 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 246083755 HZDQPSKVYRSVJB-NHAGDIPZSA-N 249.398 3.696 30 20 BHED Cc1ccc(/C=C\c2ccc(C#N)cn2)cc1F 255172155 MBHHJJNWZPNIAT-XQRVVYSFSA-N 238.265 3.571 30 20 BHED C=CCCC[C@@H](C)Nc1nc(C2CC2)ns1 301985694 CPVKTZLUCAVHCB-SECBINFHSA-N 237.372 3.572 30 20 BHED C[C@@H]1C[C@@H](C)CN(c2c(Cl)cccc2C#N)C1 303415571 BEXGWOIKKDAMQS-GHMZBOCLSA-N 248.757 3.694 30 20 BHED CCCCCCCNC1CCC(OC)CC1 310036312 UJRPTXLMRORVPU-UHFFFAOYSA-N 227.392 3.504 30 20 BHED C=CCCCCNCc1cc(F)c(F)c(F)c1 310067422 BZUJTWFPRDKPNZ-UHFFFAOYSA-N 243.272 3.550 30 20 BHED C=CCCCCN[C@@H](C)CCc1ccccc1 310095604 UWRKWMOTHUWQKM-HNNXBMFYSA-N 231.383 3.954 30 20 BHED C=CCSCCN[C@@H](CC)c1cccc(C)c1 310131890 HUKFNMQQVDKGLZ-HNNXBMFYSA-N 249.423 3.955 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1cccc(OC)c1 310769436 CKFTXROMEVKWKY-ZDUSSCGKSA-N 247.382 3.948 30 20 BHED C=CCOCCCSCc1ccccc1 356036746 IHHQAYFOVMSGLR-UHFFFAOYSA-N 222.353 3.513 30 20 BHED C=C[C@@H]1CCCCN1C[C@@H]1C[C@H]1c1ccccc1 426542346 DXMOQVAEXUQWGD-BBWFWOEESA-N 241.378 3.831 30 20 BHED C[C@H](CSCCCCC#N)C(F)(F)F 439026060 UFTKATXCMTXRIN-MRVPVSSYSA-N 225.279 3.612 30 20 BHED Cc1ccc(NCc2ccc(C#N)c(C)c2)cc1 443961118 JYAVNHXMVIHTDJ-UHFFFAOYSA-N 236.318 3.787 30 20 BHED C=CCC[C@H](C)Nc1cnn(CCC)c1C1CC1 449414194 KBQLXMGOHRLDNK-LBPRGKRZSA-N 247.386 3.937 30 20 BHED C=CC(C)(C)CNC(=O)Nc1c(C)cccc1C 454199918 HYMXUBYCQXNYEE-UHFFFAOYSA-N 246.354 3.637 30 20 BHED C=CCCCCCN[C@@H](C)c1cncc(F)c1 459623309 QPLHWLKXFGHBKG-LBPRGKRZSA-N 236.334 3.618 30 20 BHED CC#CCCS[C@@H](C)c1ccccc1 462379886 VCSGJDWHLCMKNS-LBPRGKRZSA-N 204.338 3.894 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CCCCC(C)(C)C1 467871180 JUKPFGYLZOZVBG-HNNXBMFYSA-N 237.387 3.627 30 20 BHED C=C[C@@H]1CCCCN1C(=O)CC1CCCCC1 488825920 OLPAEDKOEFDEIS-CQSZACIVSA-N 235.371 3.524 30 20 BHED C=CCOc1cccc(CN2CCC[C@@H]2CC)c1 511476129 WJRLCEBFPWLEDD-HNNXBMFYSA-N 245.366 3.626 30 20 BHED CCC[C@@H]1CCCC[C@@H]1NCC1(CC#N)CC1 583440614 NDHZIDSCBMCQFE-KGLIPLIRSA-N 234.387 3.629 30 20 BHED CC[C@@H](C)CCN[C@H](C)c1cccc(C#N)c1 594714106 XTFRXEZDMSKOQK-CHWSQXEVSA-N 230.355 3.645 30 20 BHED C=CCCSCCN[C@@H]1CCCC12CCC2 595060159 SSCFLBKLHWASGS-CYBMUJFWSA-N 239.428 3.608 30 20 BHED C=CCCCN(C)Cc1cccc(OC(C)C)c1 605738763 PEJVFKALLJJVFC-UHFFFAOYSA-N 247.382 3.872 30 20 BHED C=CCN1CCC[C@@H]1[C@H](CC)c1ccccc1 621826381 VJSYUCJEHIEUNA-HZPDHXFCSA-N 229.367 3.831 30 20 BHED C=CC1CCN(C(=O)C=C2CCC(C)CC2)CC1 734103596 VXKDPWKTLNBMTM-UHFFFAOYSA-N 247.382 3.548 30 20 BHED CCC(=NNc1cc(F)c(F)c(F)c1)C1CC1 747642410 OVNFAZHKPFQQAQ-UHFFFAOYSA-N 242.244 3.692 30 20 BHED C/C=C(\C)C(=O)NCCCCCCCCC 751323477 QVMCWRBGDCDTBD-WLRTZDKTSA-N 225.376 3.819 30 20 BHED CCCCCC[C@@H](C)CC(=O)O[C@H](C#N)CC 753429057 WZTJDSZBSFTBSP-OLZOCXBDSA-N 239.359 3.828 30 20 BHED CCCCCC=NNc1ccccc1[N+](=O)[O-] 755466340 ZNZWUFDZBPMDJN-UHFFFAOYSA-N 235.287 3.573 30 20 BHED CCC[C@@](C)(CC)C(=O)OCCC(C)(C)C#N 796337227 ZKZLUTLAYLGKCA-CQSZACIVSA-N 239.359 3.686 30 20 BHED C=CCCCCCCCNCc1cccnc1 810160778 TUVQVUVIUYEJKQ-UHFFFAOYSA-N 232.371 3.698 30 20 BHED CC1(C)CC(=NOCc2ccc(F)cc2)C1 814903770 ZRQJYYJREQWVDJ-UHFFFAOYSA-N 221.275 3.518 30 20 BHED CC1(C)CCC[C@@H]1NN=C1CC[C@H]1C1CCC1 814917783 RFABKJSMELHGBI-JSGCOSHPSA-N 234.387 3.721 30 20 BHED CC[C@H](C=NOC(C)C)c1ccccc1 834999817 FCINDPQBALBBLY-GFCCVEGCSA-N 205.301 3.591 30 20 BHED C=C(C)CCNC(=S)Nc1cc(C)cc(C)c1 840793205 QLSVDEIKHGKBTJ-UHFFFAOYSA-N 248.395 3.556 30 20 BHED C[C@@H](C=NNc1ccc(Cl)cn1)C(C)(C)C 853437256 HZGQAPSJFBODNW-VIFPVBQESA-N 239.750 3.815 30 20 BHED CCCC(CC)=NNc1ccc(Cl)cn1 853437427 NJHFTHWIALZZKN-UHFFFAOYSA-N 225.723 3.713 30 20 BHED C[C@@H](CCC#N)CN1Cc2ccccc2[C@@H](C)C1 876544222 RABCPMUORLFDLO-KBPBESRZSA-N 242.366 3.546 30 20 BHED C=CC(C)(C)CC(=O)O[C@@H](C)c1cnccc1C 892923383 PWNSNHWIADOTDG-LBPRGKRZSA-N 247.338 3.597 30 20 BHED CCCC(C)=NNc1ccc(F)cc1F 916248012 DQTRLLXYKSCQNL-UHFFFAOYSA-N 212.243 3.553 30 20 BHED Cc1cc(C)cc(NN=Cc2ccc(C)o2)c1 916346575 JGBFILGEXMYGLL-UHFFFAOYSA-N 228.295 3.651 30 20 BHED C=C(CC)C(=O)Nc1cccc(SCC)c1 1348852584 IPQJLKOBRMNJKZ-UHFFFAOYSA-N 235.352 3.703 30 20 BHED C=CCC1(c2nnc(-c3ccc(C)o3)o2)CCC1 1348932070 ZVLVGJQVJFSBKA-UHFFFAOYSA-N 244.294 3.636 30 20 BHED CC1(CNc2cccc(C#N)n2)CCCCCC1 1650916819 XDUTWXZGTNZMJV-UHFFFAOYSA-N 243.354 3.726 30 20 BHED Cc1ccc(-c2cc(C)c(C#N)c(Cl)n2)cc1 9280530 VBMUPVWQJDJINA-UHFFFAOYSA-N 242.709 3.891 30 20 BHED CCCc1ccccc1Nc1ccc(C#N)cn1 42240400 JEGBZAKBYZZNBT-UHFFFAOYSA-N 237.306 3.649 30 20 BHED CCN(CCCCC#N)c1cccc(C)c1 49579420 TVCJTRGVFQUXBR-UHFFFAOYSA-N 216.328 3.515 30 20 BHED C=CCCCOc1ccc2ccccc2c1C=O 71275601 OFBNLZORNLEYDH-UHFFFAOYSA-N 240.302 3.997 30 20 BHED C=C[C@H](N)c1ccc(C(F)(F)F)c(Cl)c1 95643814 QTOKHRSYBLJHQE-VIFPVBQESA-N 235.636 3.545 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@@H]2CCC[C@@H]21 150919434 GQDPXSOESBWNJM-ZFWWWQNUSA-N 247.382 3.546 30 20 BHED C=CC[C@H](C)N[C@@H](C)CCc1ccc(OC)cc1 163321433 BPFIWWHFWGDWRS-KBPBESRZSA-N 247.382 3.571 30 20 BHED C=CCCSCc1nnc(-c2ccccc2)o1 173833757 FDRNULSDCUYCQR-UHFFFAOYSA-N 246.335 3.546 30 20 BHED C[C@H]1CCC[C@@H](C)N(CCCC(C)(C)C#N)C1 174874199 VACZUMXOOQVGAP-UONOGXRCSA-N 236.403 3.827 30 20 BHED C=CCCCC(=O)Nc1ccc(Cl)c(C#N)c1 177510797 UYIMSEXROYWXGB-UHFFFAOYSA-N 248.713 3.506 30 20 BHED C=CCNc1cc(F)c(OC(C)(C)C)c(F)c1 180929368 KAIOZJWKZJQWGM-UHFFFAOYSA-N 241.281 3.740 30 20 BHED C[C@@H](SCCCC(C)(C)C#N)c1cnccn1 185701108 CDWXRSULHZHMTI-LLVKDONJSA-N 249.383 3.601 30 20 BHED CCCCCCCC(=O)N(C)C1CCCC1 192579806 IDLFWAVUKQQSRW-UHFFFAOYSA-N 225.376 3.748 30 20 BHED CC1(C)OB(/C=C\C2CCCCC2)OC1(C)C 200985367 GPNZRYQKISBKHG-KHPPLWFESA-N 236.164 3.754 30 20 BHED CCCC[C@@H](CC)CN(CC)C[C@H](C)C#N 251309589 IRWMTXRNDCRMOE-ZIAGYGMSSA-N 224.392 3.684 30 20 BHED C=CCCC(=O)N(Cc1ccc(F)cc1)C(C)C 263683466 PJTQILDGVLZMKB-UHFFFAOYSA-N 249.329 3.529 30 20 BHED C=C(C)CN(CCCCC#N)Cc1ccccc1 279265845 IPZVDKQVXRNAKB-UHFFFAOYSA-N 242.366 3.759 30 20 BHED CC[C@H](NCCCCC#N)c1cccc(C)c1 285964711 GUIRWUTZRYUUBM-HNNXBMFYSA-N 230.355 3.730 30 20 BHED N#Cc1cccnc1NCCC1=CCCCCC1 302200945 RXGRHFSTYNEELV-UHFFFAOYSA-N 241.338 3.646 30 20 BHED C#CCCCNc1ccc(SC(F)F)cc1 309585545 SCYQVBYJMJILSM-UHFFFAOYSA-N 241.306 3.827 30 20 BHED Cc1nc(Nc2cccc(Cl)c2)ccc1C#N 310101129 XVNOQOZSHBTFEO-UHFFFAOYSA-N 243.697 3.659 30 20 BHED C=CCC(C)(C)CNc1nccc2occc12 336651415 AEWLGLZGBSOJIZ-UHFFFAOYSA-N 230.311 3.842 30 20 BHED C=C(CC)COc1cnc2ccc(F)cc2c1 337938066 KBOZXFJCYJQTLX-UHFFFAOYSA-N 231.270 3.719 30 20 BHED C=C(C)CN(CC)C(=O)c1sccc1C1CC1 343144899 XLABJHMUXSLLKO-UHFFFAOYSA-N 249.379 3.664 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1cc(F)cc(F)c1 393743108 GZBGMSHBXWGLJT-IINYFYTJSA-N 239.309 3.970 30 20 BHED C[C@@H](C1CCCCC1)[C@@H](C)N[C@H](C)CCC#N 411512037 ADXOTZJJCRRNGV-MGPQQGTHSA-N 236.403 3.873 30 20 BHED N#CC1(COc2cccc(C3CC3)c2)CCC1 424103190 MXWLYXTUTVVDCG-UHFFFAOYSA-N 227.307 3.637 30 20 BHED CC/C=C\CCN(C)[C@@H](C)c1cccc(C#N)c1 425535623 NQGUWUMSXMFOHE-GXMNPTEKSA-N 242.366 3.907 30 20 BHED C=C(CC)CN(C)[C@H](C)c1cccc(C#N)c1 425543079 ZASUBQKAPJPPPF-CYBMUJFWSA-N 228.339 3.517 30 20 BHED Fc1ccc(C#CCSC2CCCC2)cc1 433374312 FKRDKLBFFABSJW-UHFFFAOYSA-N 234.339 3.853 30 20 BHED CC[C@@H](F)CSCc1cc(F)ccc1C#N 442557148 ZLTHSBSZNRERKQ-LLVKDONJSA-N 241.306 3.679 30 20 BHED CC(C)=CCC[C@H](C)Nc1cccc(C#N)n1 450680494 YNEJXHPWOZDIDZ-LBPRGKRZSA-N 229.327 3.500 30 20 BHED C=CCC[C@H](C)N1CCC[C@@]2(CCSC2)C1 451987574 YQRLPJGMMSOYDP-UONOGXRCSA-N 239.428 3.560 30 20 BHED Cc1ccc(CN(C)CCC(C)(C)C#N)cc1C 452050448 WYPJKLBKUPFGEZ-UHFFFAOYSA-N 244.382 3.675 30 20 BHED C=CCCCNc1ccc(CC#N)cc1Cl 453120238 CPOPCPUXLYRZBK-UHFFFAOYSA-N 234.730 3.784 30 20 BHED C[C@H]1CCC[C@@H](C)N(c2cccc(F)c2C#N)C1 462895069 PUYPBEPUCFITCQ-NWDGAFQWSA-N 246.329 3.712 30 20 BHED C=C(C)CN(CC)C(=O)C(C1CCC1)C1CCC1 505356471 WQMJAUOVPKWRHI-UHFFFAOYSA-N 249.398 3.627 30 20 BHED C=C(C)CCc1noc(C[C@H]2C[C@H]3CC[C@H]2C3)n1 508667865 VNGOBXPOBOAIMK-RWMBFGLXSA-N 246.354 3.557 30 20 BHED CC(C)CCOCCSc1ccc(C#N)cc1 514125843 ZRZQUPSOTHGXBI-UHFFFAOYSA-N 249.379 3.713 30 20 BHED CCC(CC)N(CC)Cc1cc(C#N)cs1 582149185 AJAFUPNGDFWSHS-UHFFFAOYSA-N 236.384 3.630 30 20 BHED C[C@@H]1C[C@@H](OCCCCCC=O)CC(C)(C)C1 584907162 WYBYVBQJCHKSCH-ZIAGYGMSSA-N 240.387 3.977 30 20 BHED C[C@H](CS[C@H](C#N)C1CC1)c1ccccc1 601081244 MVLBGYXGJGNWLV-BXUZGUMPSA-N 231.364 3.825 30 20 BHED C=CC[C@@H](C)NC(=O)C[C@@H](C)CC(C)(C)C 604880363 BWGGSCYCYZAGOZ-VXGBXAGGSA-N 225.376 3.530 30 20 BHED C=CCCCN(Cc1ccc(OC)cc1)C1CC1 605149713 YARHVPMOTASIHP-UHFFFAOYSA-N 245.366 3.626 30 20 BHED CSc1cccc(N(C)C[C@H](C)CCC#N)c1 618888012 OIUYKBATVBRBOD-GFCCVEGCSA-N 248.395 3.785 30 20 BHED N#C[C@H]1CC[C@@H](Nc2ccc(C3CC3)cc2)C1 619673249 PFNCMULBEAEACM-XHDPSFHLSA-N 226.323 3.668 30 20 BHED Cc1ccc(C=NNc2cccc(F)c2)cc1F 731486637 RMTPVJPRZKFUME-UHFFFAOYSA-N 246.260 3.719 30 20 BHED CCCCCCCCC(=O)NC[C@@H]1CC1(C)C 732797759 TVNFLAPLGZSYIZ-ZDUSSCGKSA-N 239.403 3.899 30 20 BHED C=C(C)CCOC(=O)C1CCCCCCC1 744300198 RUTGGFYQLKYKRV-UHFFFAOYSA-N 224.344 3.856 30 20 BHED C=CCCCC(=O)OC/C=C/c1ccccc1 748233823 JJLPOAZWKBTGFM-DHZHZOJOSA-N 230.307 3.599 30 20 BHED Clc1ccnc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)c1 762434693 UGQXNYAOKGIEEO-GARJFASQSA-N 249.745 3.569 30 20 BHED C[C@@H](NN=C/C=C\c1ccccc1)C(C)(C)C 793113876 HPBHRVKWNLDKDK-HKJXDWOSSA-N 230.355 3.710 30 20 BHED C[C@H]1CCCCC1=NNc1cccc(Cl)n1 793174969 OYMSSFWVGMMJAO-VIFPVBQESA-N 237.734 3.713 30 20 BHED CC1(C)C(=NOC/C=C/Cl)[C@H]2CCC[C@H]21 853347427 KIYFVJWOUDKTPV-XZODLDDFSA-N 227.735 3.568 30 20 BHED C=C[C@H](CC)CC(=O)Nc1ccc(C)cc1F 929516460 NEDDPRRACPHDFV-LLVKDONJSA-N 235.302 3.675 30 20 BHED CCCC[C@H](CCC)Nc1cccc(CC#N)n1 1255095238 GQZVKZJUNZGRKE-ZDUSSCGKSA-N 245.370 3.918 30 20 BHED CC1(C)CN(CCC2(C#N)CCCCC2)C1(C)C 1459603193 BYYFUCSBZMPIDD-UHFFFAOYSA-N 248.414 3.971 30 20 BHED C[C@H](Nc1ccc(C#N)cn1)[C@H]1CCC[C@@H](C)C1 1559213564 XMMFOUUTLLYQPG-DYEKYZERSA-N 243.354 3.580 30 20 BHED CC[C@@H](C)CN(CC)Cc1ccc(C#N)c(C)c1 1658309541 OBTLTSVOJQQDDL-CYBMUJFWSA-N 244.382 3.735 30 20 BHED O=C(/C=C/c1cccnc1)c1ccc(Cl)s1 7586935 JWRCLZPHNOPORO-ONEGZZNKSA-N 249.722 3.693 30 20 BHED C#Cc1cccc(NC[C@H](C)c2ccccc2)c1 19991617 ISOQWSODTZHEFS-AWEZNQCLSA-N 235.330 3.884 30 20 BHED N#Cc1cccc(NCCCc2ccccc2)c1 20051459 YJFARMDIZHIJNV-UHFFFAOYSA-N 236.318 3.603 30 20 BHED C#CCSc1cc(Cl)ccc1Cl 41634769 XLNREKLTIUEFOK-UHFFFAOYSA-N 217.120 3.719 30 20 BHED N#CCCCCSc1cc(F)ccc1F 42210194 VVUBPCDLCDMGIC-UHFFFAOYSA-N 227.279 3.751 30 20 BHED Cc1ccc(Sc2nc(C)ccc2C#N)cc1 43400706 BDRAFVJWZRSMHP-UHFFFAOYSA-N 240.331 3.721 30 20 BHED CC[C@@H]1CCCC[C@H]1N(C)CCCCC#N 120790199 NBQFJVMLRGJANX-ZIAGYGMSSA-N 222.376 3.581 30 20 BHED C=C(C)CNC(=O)C1CCC(CCCC)CC1 123017975 YBSROCUZOYXVIJ-UHFFFAOYSA-N 237.387 3.675 30 20 BHED CCCCCCCCNC1CCC(OC)CC1 130102614 LESKPNDXCPVPKS-UHFFFAOYSA-N 241.419 3.894 30 20 BHED N#Cc1ccc(CNc2ccccc2Cl)s1 135512035 WHWZPBPSQIJCBD-UHFFFAOYSA-N 248.738 3.885 30 20 BHED CCCc1ccc(NCc2ccc(C#N)o2)cc1 155702323 VJLXQQUHHKUPIN-UHFFFAOYSA-N 240.306 3.716 30 20 BHED N#CCCCCSC[C@H]1C[C@H]2CC[C@H]1C2 161914900 FQAXKWGCAMCDDV-RWMBFGLXSA-N 223.385 3.850 30 20 BHED C=CCCC(=O)N1CCCc2cc(C)cc(C)c21 175536877 XVSQKOWDLYBNGW-UHFFFAOYSA-N 243.350 3.549 30 20 BHED C=C(C)CSCc1ccc(Cl)nc1 177863863 SVMPXTKEJUYTHA-UHFFFAOYSA-N 213.733 3.544 30 20 BHED CC1CC(Nc2cccc(OCCCC#N)c2)C1 184437497 XFQQWWJDHPLGDG-UHFFFAOYSA-N 244.338 3.580 30 20 BHED C=CCC[C@@H](C)NCc1ccc2ncccc2c1 192977633 SXGWUTFGIFYSOB-CYBMUJFWSA-N 240.350 3.679 30 20 BHED CCCCCCCCNC[C@H]1CCSC1 224452832 CUWNLQWUDBNKRO-CYBMUJFWSA-N 229.433 3.690 30 20 BHED CC(C)C1CCN(c2ccc(C#N)cc2F)CC1 230914588 PTLXSMRKNAVFIA-UHFFFAOYSA-N 246.329 3.570 30 20 BHED C=CCCC(=O)N(CC)[C@H](CC)c1ccccc1 263640339 AFJBWTCQPRSDEQ-OAHLLOKOSA-N 245.366 3.952 30 20 BHED CC[C@@](C)(C#N)C(=O)O[C@H](C)c1ccccc1C 285571701 GQTGLNPQXNOHSZ-DOMZBBRYSA-N 245.322 3.539 30 20 BHED C=CC[C@H](C)[C@H](C)NC[C@H]1CC[C@@H](C)C1 308828686 FKRKIPKPGUPZPW-RFGFWPKPSA-N 209.377 3.613 30 20 BHED CCC[C@@H](C)Nc1nc(C)c(C#N)cc1Cl 309217154 FUQDRTBHJLMXSH-MRVPVSSYSA-N 237.734 3.516 30 20 BHED C[C@H](CC(C)(C)C)Nc1ccc(OCC#N)cc1 384940019 QSGNDUMIQBPZQB-GFCCVEGCSA-N 246.354 3.826 30 20 BHED C=CCC[C@H](C)NC1CCC(CSC)CC1 385385254 PWHXVJSZOOQNID-HSBZDZAISA-N 241.444 3.853 30 20 BHED C=CC[C@H](C)[C@H](C)NCC(C)(C)CC=C 393444840 RHZHHTRLYICQOC-STQMWFEESA-N 209.377 3.779 30 20 BHED C=CCC(C)(C)C(=O)N[C@H](CC)C1CCCC1 411057209 AHQOBGHFIPIWQS-CYBMUJFWSA-N 237.387 3.674 30 20 BHED C=CCCCC[C@H](C)NC[C@@H]1C[C@@H](C)O[C@@H]1C 414264113 QDOJQCBJIMGRTQ-YJNKXOJESA-N 239.403 3.524 30 20 BHED C=CCN(CCC#N)Cc1cccc(CCC)c1 430090798 PHTGCSQJQUTODR-UHFFFAOYSA-N 242.366 3.541 30 20 BHED CC#CCS[C@H]1CCCc2ccccc21 463257138 OTMWSMMEYYEKJY-AWEZNQCLSA-N 216.349 3.821 30 20 BHED C=CCN(C/C(C)=C\c1ccccc1)C1CC1 503560635 XYMMHFZXXCEPCK-OWBHPGMISA-N 227.351 3.740 30 20 BHED C=CCOCCS[C@H](C)c1ccccc1F 549336974 PDICGQGDNGDLHE-LLVKDONJSA-N 240.343 3.823 30 20 BHED C=CCCCCCN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 565049343 QEJBTHBQFGKTMP-LSDHHAIUSA-N 249.398 3.627 30 20 BHED C=C[C@@H]1CCCCN1[C@H](C)Cc1ccsc1 567425511 QYXLWASLWMDQCH-TZMCWYRMSA-N 235.396 3.720 30 20 BHED CCC[C@@H]1CCCC[C@@H]1NC[C@H](C)CCC#N 602535616 QTHQBHJNTQQVPJ-KFWWJZLASA-N 236.403 3.875 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1NCc1ccnc(C)c1 658025429 BTXHGDOQPCWKJF-CVEARBPZSA-N 244.382 3.615 30 20 BHED CCCCCCCC(=O)N(C)C(C)(C)CC 733872584 VTZVWLWETPKLER-UHFFFAOYSA-N 227.392 3.994 30 20 BHED C=CCCCCCN(C)C(=O)/C=C(/C)CCC 739654056 KULVTORTBPFYDX-YPKPFQOOSA-N 237.387 3.938 30 20 BHED Cc1ccoc1C=NNc1ccccc1Cl 743421024 WIZRQRKVSBMFCM-UHFFFAOYSA-N 234.686 3.687 30 20 BHED CC[C@H](C)C(C)=NNc1ccc(F)cc1C 750939170 XEFBYMGRMQPPOY-VIFPVBQESA-N 222.307 3.968 30 20 BHED Cc1cc(F)ccc1NN=C[C@@H]1CC=CCC1 750939283 YZJYYUVWCRGJHW-GFCCVEGCSA-N 232.302 3.888 30 20 BHED C[C@H]1CCCC(=NNCCc2ccccc2F)C1 764723695 SENNQDXJIMFXNV-LBPRGKRZSA-N 248.345 3.524 30 20 BHED CCCC[C@@H]1CCCC1=NOC1CCOCC1 774429871 FCAXNIFCJYBJHH-GFCCVEGCSA-N 239.359 3.528 30 20 BHED C=CC[C@H](C(=O)OCCCC)c1ccccc1 778416693 BBZZFRZFGOQJNY-AWEZNQCLSA-N 232.323 3.690 30 20 BHED C=C[C@@](C)(CC)C(=O)OCc1cccc(C)c1 785753904 MSTXEBFMVGZIIO-HNNXBMFYSA-N 232.323 3.641 30 20 BHED C=CCCCCCCNC(=O)C(C1CC1)C1CC1 805217583 DZLYFXIWEJCPCK-UHFFFAOYSA-N 249.398 3.675 30 20 BHED CCCC[C@H](C)C(C)=NNc1cccc(F)n1 807987052 DXTFHPKSEFCGNS-JTQLQIEISA-N 237.322 3.835 30 20 BHED C=CCCCCOC(=O)CCc1ccsc1 811012233 CGHSFWRDFQVTJI-UHFFFAOYSA-N 238.352 3.580 30 20 BHED CCC[C@H](C)C(CC)=NOC/C=C\Cl 811667978 IJNBCIVHBMGEBH-HPTLUCBDSA-N 217.740 3.958 30 20 BHED CC1=C(C)C[C@@H](C(=O)O[C@H](C#N)C(C)(C)C)CC1 842753596 IBWPJPCIPRZACT-QWHCGFSZSA-N 249.354 3.604 30 20 BHED C[C@H]1CCCCN1N=C1CCC[C@H]1C(C)(C)C#N 853381508 DYHCIMNOMKYSSS-QWHCGFSZSA-N 247.386 3.567 30 20 BHED C[C@@H]1C[C@@H]1C=NNc1cccc(F)c1Cl 863158806 RQQSUZUHOIXVFB-HTQZYQBOSA-N 226.682 3.533 30 20 BHED CC(C)CC=NNc1ccccc1Cl 863950744 KPXTWRCIYJYCMU-UHFFFAOYSA-N 210.708 3.784 30 20 BHED Clc1ccccc1NN=Cc1ccsc1 916262464 HIOCJYRPKAUZPZ-UHFFFAOYSA-N 236.727 3.848 30 20 BHED C=CCN(C(=O)c1ccc(CCC)cc1)C(C)C 920219917 QWMBGLYNTNFITP-UHFFFAOYSA-N 245.366 3.676 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)CC(C)(C)C=C 1121154018 FNHLFLFUPYUPSD-CYBMUJFWSA-N 235.371 3.546 30 20 BHED O=C(/C=C/c1c(F)cccc1F)c1ccccc1 57817092 GCCIUNUPHVRMEH-MDZDMXLPSA-N 244.240 3.861 30 20 BHED C=CCCCOc1ccc(C(=O)CC)cc1 70592587 AGYCZYOAHKHULQ-UHFFFAOYSA-N 218.296 3.624 30 20 BHED C=CCCC(=O)NC1(c2ccccc2)CCCC1 70955302 AXLJNYUGGINPBM-UHFFFAOYSA-N 243.350 3.538 30 20 BHED CC(C)(C)CCC(=O)Nc1ccc(CC#N)cc1 78041104 CXJHWLAIMSJLCB-UHFFFAOYSA-N 244.338 3.517 30 20 BHED C=CCCOCCN[C@@H](c1ccccc1)C(C)C 91406727 NQXWXHXKHGGODS-MRXNPFEDSA-N 247.382 3.566 30 20 BHED CCCCCCC[C@@H](N)c1ccc(C)o1 105728522 BKOWXLVIHUVGEJ-GFCCVEGCSA-N 209.333 3.948 30 20 BHED C=CC[C@@H](C)NC(=O)[C@@H](C)CC1CCCCC1 116853451 HODZSJOBWSWAOZ-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=CCOc1c(C(C)=O)ccc(Cl)c1Cl 118176852 LCHQNYKGXWWZBW-UHFFFAOYSA-N 245.105 3.761 30 20 BHED C=CCC(CC=C)C(=O)N(C(C)C)C1CCCC1 130690450 BBDAVZFEFVRSIV-UHFFFAOYSA-N 249.398 3.934 30 20 BHED N#Cc1cc(Oc2ccc(Cl)c(F)c2)ccn1 156269071 VKYAQWVWVNYVHM-UHFFFAOYSA-N 248.644 3.538 30 20 BHED C=CCCC(=O)Nc1c(C)cccc1Cl 174421763 KZVICPAGRWUEAO-UHFFFAOYSA-N 223.703 3.553 30 20 BHED C=CCCN(C)Cc1ccc(C(F)F)cc1 276406056 LCNLQSRZEHDALJ-UHFFFAOYSA-N 225.282 3.632 30 20 BHED C=CCC(C)(C)C(=O)Nc1cscc1C 293443396 RUCQRDYQCAXGCU-UHFFFAOYSA-N 223.341 3.597 30 20 BHED C=CC(C)(C)C(=O)Nc1cccc(C(F)F)c1 294484431 ITNBQNZNZDSFPM-UHFFFAOYSA-N 239.265 3.775 30 20 BHED Cc1ccnc(N[C@@H]2CCC[C@@H](C)CC2)c1C#N 300567893 IUMHHSXKFIVTQI-DGCLKSJQSA-N 243.354 3.642 30 20 BHED C=C(Cl)CSc1cc(F)ccc1F 307412306 GQVHIKZNQPJDEH-UHFFFAOYSA-N 220.671 3.809 30 20 BHED C=CC[C@H](CC)NCc1ccc(SC)s1 308920670 GZVXNMQKULAHTP-JTQLQIEISA-N 241.425 3.914 30 20 BHED CCCC[C@H](C)N(C)c1cccc(F)c1C#N 310237283 ILGVCBSFJLVSID-NSHDSACASA-N 234.318 3.712 30 20 BHED Cc1cccc(CSCC2(C#N)CC2)c1 344466989 QBOBWPAHNOYHTK-UHFFFAOYSA-N 217.337 3.532 30 20 BHED CCC(CC)[C@@H](NCCC#N)c1cccs1 411445468 ACTMZDHZDYNAFX-CYBMUJFWSA-N 236.384 3.729 30 20 BHED CC#CCCCC(=O)N[C@@H]1CCC[C@H]1C(C)(C)C 412808634 GXXABPDXWUHTBR-ZIAGYGMSSA-N 249.398 3.511 30 20 BHED C=CCC[C@H](NCc1cc(C)nc(C)c1)C1CC1 421877482 KSTXCLVQOFBATA-INIZCTEOSA-N 244.382 3.533 30 20 BHED C=CCC1(C(=O)N(CC)CC(C)C)CCCC1 449471366 CJCDVNMBGXXIRX-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccc(CC)o1 453315375 ZFDQSZFXFMLTJH-LLVKDONJSA-N 221.344 3.705 30 20 BHED CC1(C)CC(N[C@@H]2CC[C@@H](C#N)C2)CC(C)(C)C1 471599743 VSSYTLXYHSNVOT-CHWSQXEVSA-N 248.414 3.873 30 20 BHED C=CCCCCNC(=O)[C@@H](CC)CCCC 471692605 LMFGLSCLHUNKIT-ZDUSSCGKSA-N 225.376 3.675 30 20 BHED C=CCCC1(C(=O)Nc2ccc(C)cc2F)CC1 474431290 IBTVFGQSZWUOFK-UHFFFAOYSA-N 247.313 3.819 30 20 BHED C=C(C)CN1CCCCC[C@@H]1CC(C)C 524892891 RLLRTTBGXIZSGV-CQSZACIVSA-N 209.377 3.853 30 20 BHED C=C(C)CN(CC)CCOC1CCCCCC1 525422612 AXEGAZSMAAZHLX-UHFFFAOYSA-N 239.403 3.624 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1cc[nH]c1C(C)C 560630445 PFBSSDNGZWZWGK-GFCCVEGCSA-N 248.370 3.613 30 20 BHED CC(C)(C)[C@H]1CCC[C@@H](NCC2(C#N)CC2)CC1 570671905 XYOIUCFXAFXEDN-UONOGXRCSA-N 248.414 3.875 30 20 BHED C=CCCc1nc([C@H]2CCCC[C@@H]2CC)no1 580729301 YQRJLSBACAIRBY-RYUDHWBXSA-N 234.343 3.872 30 20 BHED CCC(CC)N(CC)Cc1ccc(C#N)cc1C 588977245 CVEMXJUVVMLLKN-UHFFFAOYSA-N 244.382 3.877 30 20 BHED Cc1cc(-c2ccc(C#N)c(Cl)c2)ccn1 589962996 PVWMOJXLIUZZQJ-UHFFFAOYSA-N 228.682 3.582 30 20 BHED C=C(CC)CSCc1ncccc1Cl 600624673 GGDMGVPVRCPVBI-UHFFFAOYSA-N 227.760 3.934 30 20 BHED C=CCCCN(Cc1ccccc1)C1CC1 605149740 FTNVPQRNJVMDLA-UHFFFAOYSA-N 215.340 3.617 30 20 BHED C=CCSCc1ccccc1OC(F)F 609633994 RNSQAAGLDPNJEO-UHFFFAOYSA-N 230.279 3.707 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C[C@H]2CCC[C@H]2C)C1 617781412 LTVGWCJBLKNYBD-RBSFLKMASA-N 249.398 3.627 30 20 BHED C=C[C@@](C)(CC)C(=O)N1C[C@H](CC)CC[C@H]1C 619135225 LMIYDPFAVYRCIZ-NFAWXSAZSA-N 237.387 3.626 30 20 BHED C=C(C)CCOC(=O)c1ccc(OC(C)C)cc1 744304685 XIWVBUBUVSCNIA-UHFFFAOYSA-N 248.322 3.597 30 20 BHED CC(C)(C)C=NNc1ccc2ccccc2n1 755489699 ZPGSIDNPRFHKFK-UHFFFAOYSA-N 227.311 3.679 30 20 BHED Cc1ccc(/C=C\C(=O)c2cscn2)cc1C 769265639 RKMOGDLMIRQUMY-WAYWQWQTSA-N 243.331 3.656 30 20 BHED CC(=NOC1CCCCC1)c1occc1C 777459633 SRHLOGAAVKWXRP-UHFFFAOYSA-N 221.300 3.661 30 20 BHED C[C@@H](/N=C\c1ccccc1O)c1ccsc1 800790784 UTTYPUZNJUTJJN-DOQDJBIESA-N 231.320 3.634 30 20 BHED CC(CCc1ccccc1F)=NOC1CCC1 812235352 DJJHMSOSIIDNDF-UHFFFAOYSA-N 235.302 3.703 30 20 BHED C=CCCCCC[C@H](C)N[C@@H](CC)C(C)(C)O 815652289 WMDGMBAGBVUXBO-KBPBESRZSA-N 241.419 3.651 30 20 BHED CC[C@H](C)NN=C(C)[C@H]1CCCC[C@@H]1C 834973317 NVUAQNHNIUWYJB-GVXVVHGQSA-N 210.365 3.577 30 20 BHED C#CCCCCCC(=O)N[C@@H](CC)C1CCCC1 837039575 RFVBZZKMICVAOK-HNNXBMFYSA-N 249.398 3.655 30 20 BHED C#CCCc1noc(C[C@@H](C)CCC=C(C)C)n1 842966439 IUFOUHSCFYCBHD-ZDUSSCGKSA-N 246.354 3.560 30 20 BHED Fc1ccc2c(c1)[C@H](ON=CC1CC1)CCC2 853734415 DEUVQLMFLLOJCL-CQSZACIVSA-N 233.286 3.616 30 20 BHED C=CCN(C(=O)/C=C\c1cccs1)C(C)(C)C 857650636 ACBGBBWOXRXCEH-HJWRWDBZSA-N 249.379 3.574 30 20 BHED C=CCCCC(=O)Nc1ccc(C(=O)CC)cc1 862773850 PMNRYGKAGQLCQS-UHFFFAOYSA-N 245.322 3.574 30 20 BHED CCCCCCCSc1nnc2ccccn12 915791878 OVAFXWQRWFYWHJ-UHFFFAOYSA-N 249.383 3.792 30 20 BHED CC(C)(C)CCCCNc1cccc(CC#N)n1 1338242779 BXDHDRYTINTZBG-UHFFFAOYSA-N 245.370 3.776 30 20 BHED CC(C)CCC1CCN([C@H](C)CCC#N)CC1 1657576992 JERPRXGUFCGFCG-CQSZACIVSA-N 236.403 3.827 30 20 BHED CC[C@H]1CCCC[C@H]1Nc1ccc(C#N)cc1 44317506 PVEYBHUWQIOOJO-DZGCQCFKSA-N 228.339 3.939 30 20 BHED CC(C)CN(Cc1ccc(C#N)cc1F)C(C)C 47878697 XYXMMIXZFBPHIQ-UHFFFAOYSA-N 248.345 3.564 30 20 BHED C=C(C)CN(C)[C@@H](C)c1ccccc1Cl 52162766 VUGSTHBOMGPSIT-NSHDSACASA-N 223.747 3.909 30 20 BHED Cc1cc(F)ccc1NCC(C)(C)CCC#N 92140319 BGFMVLIGBPGUKN-UHFFFAOYSA-N 234.318 3.876 30 20 BHED C[C@H]1CCC[C@@H](Nc2ccc(F)cc2C#N)C1 113316977 BYKZJPVXMJAWHT-GXFFZTMASA-N 232.302 3.688 30 20 BHED CCCCCCCCCC(=O)N(C)CC 124291668 LNNDABLKGOZZLY-UHFFFAOYSA-N 213.365 3.605 30 20 BHED C=CCC[C@H](C)Nc1ccc(OCC)c(F)c1 130616558 HPKYBMHWXDGGAQ-NSHDSACASA-N 237.318 3.991 30 20 BHED C=C(Cl)CN[C@@H]1CCC(C)(C)C[C@@H]1C 161731487 DYGUIFGIATUUSG-GXSJLCMTSA-N 215.768 3.543 30 20 BHED CC[C@H](C)CN(CC)Cc1ccc(C#N)cc1C 165494635 DRFNECZRAUESHZ-ZDUSSCGKSA-N 244.382 3.735 30 20 BHED C=C(C)COc1cccc(N[C@H]2CCSC2)c1 179623511 YLRCCFHWEHAQTN-ZDUSSCGKSA-N 249.379 3.559 30 20 BHED C#CCCCCC(=O)Nc1c(C)cccc1CC 179800910 SOHAJSJFBQMOLC-UHFFFAOYSA-N 243.350 3.690 30 20 BHED C#CCC(C)(C)C(=O)NCC1CCCCCCC1 185238098 IVYBHLWYPSSWJL-UHFFFAOYSA-N 249.398 3.513 30 20 BHED Cc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1C 185722986 NWKBWUHUHZCPQJ-UONOGXRCSA-N 228.339 3.798 30 20 BHED CC(C)=CCNc1cccc(OCCCC#N)c1 192292195 NOYVHYCPHHXGPF-UHFFFAOYSA-N 244.338 3.747 30 20 BHED C=CCOC(=O)c1ccc(SC(C)C)cc1 195682010 RKUQTVLAYUYGPE-UHFFFAOYSA-N 236.336 3.530 30 20 BHED CCCCCSCCOc1cccc(C#N)c1 227528824 OYDXVFHHODRTNW-UHFFFAOYSA-N 249.379 3.860 30 20 BHED C[C@H](NCCC(C)(C)C#N)[C@@H](C)c1ccccc1 273455276 YSLVOSGPJYMKKL-KGLIPLIRSA-N 244.382 3.708 30 20 BHED Cc1cc(C)cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 274613508 KSNUMAYDEFRHEJ-OFQRWUPVSA-N 242.366 3.646 30 20 BHED CCCC[C@H](C)C(=O)Nc1cc(C)cc(C#N)c1 308212859 XIMKYVWDKGVMNI-LBPRGKRZSA-N 244.338 3.632 30 20 BHED Cc1ccc(CNc2cccc(CC#N)c2)cc1 313447666 MPHVLXWOXOGAEL-UHFFFAOYSA-N 236.318 3.673 30 20 BHED Cc1ccc([C@H](C)N(C)CC2(C#N)CC2)c(C)c1 343145685 WTODKNCUOAUTKB-AWEZNQCLSA-N 242.366 3.600 30 20 BHED C=CC1CCN(Cc2cccc3cc[nH]c23)CC1 353590938 WADLVGIRHYXYLB-UHFFFAOYSA-N 240.350 3.566 30 20 BHED CCC(C)(C)CNc1cc(C(C)=O)ccc1C#N 428664429 JATDLQKHDKFAKH-UHFFFAOYSA-N 244.338 3.609 30 20 BHED C=CCCCc1nc(-c2cc(C)ccc2F)no1 445459345 ZYFIUCJYIHPOJC-UHFFFAOYSA-N 246.285 3.693 30 20 BHED CC[C@@H](C)[C@@H]1CCCCN1CC1(C#N)CCC1 450428162 HGJXFBFNZBTMAR-KGLIPLIRSA-N 234.387 3.581 30 20 BHED CCCC[C@@H](C)[C@@H](C)NCC(C)(C)CC#N 459729603 KFBMNVIQVSDXPM-CHWSQXEVSA-N 224.392 3.731 30 20 BHED C=CCC[C@H](CC)N[C@@H](C)CCc1ccco1 461819052 SHSLCYCSDPFEKZ-KBPBESRZSA-N 235.371 3.935 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H]1CCCC(C)(C)C1 467877153 DFIYDQHGVZZVGL-SWLSCSKDSA-N 237.387 3.674 30 20 BHED C=C(C)CN1CCC[C@H]1Cc1ccc(C)cc1 500211444 ULBMCSGNTJKQHE-INIZCTEOSA-N 229.367 3.578 30 20 BHED C=C(C)CCN(C)Cc1cccc(Cl)c1 509280336 UDQLQVFNADPGGD-UHFFFAOYSA-N 223.747 3.738 30 20 BHED C=CCCC(=O)Nc1ccc(C(C)(C)C)cc1 522484635 ZCYRSOAKBWTRPR-UHFFFAOYSA-N 231.339 3.889 30 20 BHED C=C1CCN(Cc2cc(F)ccc2Cl)CC1 527324021 RPVDXLLQNGGLTF-UHFFFAOYSA-N 239.721 3.631 30 20 BHED C[C@@H]1CN(CCCC(C)(C)C#N)CC(C)(C)C1 544115168 XZCOKIDNEDGUBL-ZDUSSCGKSA-N 236.403 3.684 30 20 BHED C=CCCCCN(C)[C@H](CC)c1ccncc1 556247796 BOKPZIIVGJRNGM-OAHLLOKOSA-N 232.371 3.821 30 20 BHED C=CCCCSCc1cc(C2CC2)no1 596342426 LITNDZZMGLBBQK-UHFFFAOYSA-N 223.341 3.751 30 20 BHED C=CCCN1CC[C@H](C)Sc2ccccc21 606896398 SPUFLHJDRBHOGP-LBPRGKRZSA-N 233.380 3.953 30 20 BHED CC1(CN[C@H]2CCC[C@H](C#N)C2)CCCCC1 618571998 CYOVDFRTHZVXAY-KBPBESRZSA-N 234.387 3.629 30 20 BHED C=C[C@@H](C)N[C@H](C)CCc1c[nH]c2ccccc12 631589063 AKIGXKSXUBJKKH-CHWSQXEVSA-N 242.366 3.653 30 20 BHED C=CCN(CCC(C)C)Cc1ccccc1 642103444 KJBGNVFBFKZVQX-UHFFFAOYSA-N 217.356 3.721 30 20 BHED C=CCN(Cc1cccc(C(C)=O)c1)C(C)(C)C 661757104 DWRGQIHLFISKQT-UHFFFAOYSA-N 245.366 3.676 30 20 BHED CCON=C1CCC[C@@H]1c1ccc(C)cc1 741846389 AEIVUNZDEQJIKG-CYBMUJFWSA-N 217.312 3.655 30 20 BHED C#CCCCN(C)CC(C)(C)c1ccc(C)cc1 766904092 WHWQFFOQBZLTEY-UHFFFAOYSA-N 243.394 3.618 30 20 BHED C#CCCCCC(=O)O[C@H](CC)c1ccccc1 773630167 QAGARVIQLNILOE-OAHLLOKOSA-N 244.334 3.875 30 20 BHED CCCCCCCSCCO[C@@H](C)C#N 802751685 OJAIRJSCKHBBMR-LBPRGKRZSA-N 229.389 3.619 30 20 BHED C#CCCCCCC(=O)NC[C@H]1CCCC1(C)C 819166917 LQZXHGAOSJAIMP-CQSZACIVSA-N 249.398 3.513 30 20 BHED C=C(CC)CNC(=O)C(C)(C)CCCCC 837098860 IJALMTBLXSYFPC-UHFFFAOYSA-N 225.376 3.675 30 20 BHED Cc1cccc(NN=C2CCCCCC2)n1 863162124 UKJVEBRQTDZPGA-UHFFFAOYSA-N 217.316 3.512 30 20 BHED CCCCCCCCC(=O)NC[C@H]1C[C@@H]1C 915289780 GCSJRVSDUVFBFS-QWHCGFSZSA-N 225.376 3.509 30 20 BHED CC[C@@H](Nc1cccc(CC#N)n1)C1CCCC1 1324722139 VITRQOUIBAKELD-CQSZACIVSA-N 243.354 3.528 30 20 BHED C=C[C@](C)(CC)c1nnc(CC2CCCC2)o1 1326986482 AYXDUMINJAOCCP-CQSZACIVSA-N 234.343 3.656 30 20 BHED C=CCN(CC1CCC(F)(F)CC1)C(C)C 1330865670 VROPWIUGEWPTDN-UHFFFAOYSA-N 231.330 3.708 30 20 BHED CC[C@H](C)c1nnc(CC2(C#N)CCCCC2)o1 1346664068 UMDHWTYKMXKJOJ-NSHDSACASA-N 247.342 3.600 30 20 BHED CC[C@@H](C)[C@@H]1CCCCN1CC1(CC#N)CC1 1652547246 YRWJSBARIOWEAO-KGLIPLIRSA-N 234.387 3.581 30 20 BHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCC[C@H](C2CC2)C1 1660068565 QRBRIAXSAMQHAZ-AEGPPILISA-N 248.414 3.873 30 20 BHED C[C@H](N[C@@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 19945257 BPGSJKPPVGTDEW-DVOMOZLQSA-N 242.366 3.788 30 20 BHED C[C@@H]1CCCC[C@H]1N(C)Cc1ccccc1C#N 55386569 CAEUMDWDJWYMQV-CZUORRHYSA-N 242.366 3.569 30 20 BHED C=C(C)CN(CC)C(=O)C[C@@H](C)c1ccccc1 57158060 CPQGJQNIFPPAOH-CQSZACIVSA-N 245.366 3.605 30 20 BHED C=CCNc1cc(Br)ccc1Cl 61691188 MNDPDJSIMJXFOK-UHFFFAOYSA-N 246.535 3.700 30 20 BHED CC1(C)CCC[C@H](NCc2cccc(C#N)c2)C1 79977566 RLALLZUWBXEQAO-HNNXBMFYSA-N 242.366 3.617 30 20 BHED C[C@@H]1CC[C@@H](Nc2cccc(F)c2C#N)[C@H](C)C1 85089645 SWHMIBAWUQXZEE-JTNHKYCSSA-N 246.329 3.934 30 20 BHED N#Cc1ccccc1/C=C/c1nc2ccccc2o1 120760579 NJUGEOGJSKRVRN-MDZDMXLPSA-N 246.269 3.870 30 20 BHED C=CCC[C@H](NC(C)C)c1ccccc1 125045645 YSUACTUVXCRBAR-AWEZNQCLSA-N 203.329 3.692 30 20 BHED C=C[C@H](C)N[C@@H]1C[C@@H](C)c2c(C)cccc21 127891017 PVJKSTDMBWASLD-MBNYWOFBSA-N 215.340 3.707 30 20 BHED C[C@H](NCCCC#N)c1ccc2ccccc2c1 128373896 BCIGKLLYDGJINW-ZDUSSCGKSA-N 238.334 3.794 30 20 BHED CC(C)c1ccccc1OC(=O)CC(C)(C)C#N 278212518 IALZECXBVLVYTQ-UHFFFAOYSA-N 245.322 3.655 30 20 BHED CC(C)(C)CCCNc1cccc(F)c1C#N 304991856 NLQIVVDNODNGCV-UHFFFAOYSA-N 234.318 3.936 30 20 BHED C[C@H]1CCCC[C@@]1(C)NCc1cccc(C#N)c1 308714744 NXJFJKBWAMSZBS-XJKSGUPXSA-N 242.366 3.617 30 20 BHED CC(C)(CNc1cccnc1C#N)C1=CCCC1 312259624 BWUPMEIMQZEKOB-UHFFFAOYSA-N 241.338 3.502 30 20 BHED CCC[C@H](Nc1cccc(C#N)c1)C1CCC1 322462721 LZVLUTVSHZZHJT-HNNXBMFYSA-N 228.339 3.939 30 20 BHED CC[C@H](Nc1nc(C)c(C#N)cc1Cl)C1CC1 324535126 YUKAXZDVWICNIF-LBPRGKRZSA-N 249.745 3.516 30 20 BHED N#Cc1ccccc1SCCCCCF 340694938 GFQJQGJDIKGYCK-UHFFFAOYSA-N 223.316 3.790 30 20 BHED C=CCC1(C(=O)N2CC[C@@H](C)C(C)(C)C2)CCC1 359908422 XISXABBXAQFYHP-CYBMUJFWSA-N 249.398 3.627 30 20 BHED N#CCCCCSCCOCC1CCCC1 419599607 KKBCZAKOCVHGDT-UHFFFAOYSA-N 241.400 3.620 30 20 BHED C=CCC(C)(C)CNC(=O)[C@H]1CCCC[C@@H]1C 424843939 JXTXESBQSKHXSI-STQMWFEESA-N 237.387 3.531 30 20 BHED CCC[C@@H](NCC1(CC#N)CC1)c1ccccc1 430743372 ROAOSOBDXXSNCB-OAHLLOKOSA-N 242.366 3.811 30 20 BHED C[C@@H](SC1CCC1)c1ccc(C#N)cc1 450986322 OLPYBOOZSJGRPP-SNVBAGLBSA-N 217.337 3.905 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1CC 452141701 VSORAEACQWQCCO-QWHCGFSZSA-N 237.387 3.531 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 474091638 YQXOAXNIOYELSA-MELADBBJSA-N 249.398 3.674 30 20 BHED C=CCCC1(C(=O)N2CC[C@@H](C)C(C)(C)C2)CC1 476689648 OIKJZWGQVHVFBP-CYBMUJFWSA-N 249.398 3.627 30 20 BHED C[C@@H]1[C@@H](CN[C@@H]2CCC[C@@H](C#N)C2)CCC[C@H]1C 481987921 ADKPLBVXBRKIOE-YIDVYQOGSA-N 248.414 3.731 30 20 BHED C=CCCCCCSc1nc2c([nH]1)CCC2 487867357 HOGJAYUSCQAPFJ-UHFFFAOYSA-N 236.384 3.737 30 20 BHED C=CCCCCCN(C)C(=O)C[C@@H]1C=CCCC1 488984345 PSDMMBSJVZBJEF-OAHLLOKOSA-N 249.398 3.938 30 20 BHED C=C(C)CCc1noc(C[C@H](C)CC(C)C)n1 508609713 RUSLQXFKLLDVAA-GFCCVEGCSA-N 236.359 3.803 30 20 BHED C=C(C)COc1ccc([N+](=O)[O-])c2ccccc12 532302755 WLVGUKHMUPILJW-UHFFFAOYSA-N 243.262 3.703 30 20 BHED C=C(CC)CNc1ccc2c(c1)C(=O)CCC2 539095269 INSDVJHYHAENQV-UHFFFAOYSA-N 229.323 3.584 30 20 BHED CC(C)C[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 540706215 FAFGBLFHJZMZIK-VXGBXAGGSA-N 248.345 3.783 30 20 BHED C=CCN(CCc1ccccc1)[C@H](C)CCC 553653379 USJLSADYZMLYHY-OAHLLOKOSA-N 231.383 3.906 30 20 BHED C=C(C)CCOc1ccc(F)c2c1C(=O)C[C@H]2C 556781907 GLCXMGCCBKQAJY-SNVBAGLBSA-N 248.297 3.861 30 20 BHED C=CCN(C/C=C/c1ccc(F)c(F)c1)C1CC1 558406957 WPQAYQXNVSXGTK-ONEGZZNKSA-N 249.304 3.628 30 20 BHED C=CCC(C)(C)C(=O)N1CCC[C@H](CCC)C1 560270508 YYUJNYOXSAYQDM-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED CCCc1csc(Nc2ccc(C#N)cc2)n1 610008683 OVIGLBVEZJPOAF-UHFFFAOYSA-N 243.335 3.711 30 20 BHED C=CCCSCCOc1cc(C)ccc1C 610087530 CUVCPMQSUDPIPL-UHFFFAOYSA-N 236.380 3.992 30 20 BHED CCCCNN=C1CCC[C@H]1CCCC 727255921 STESERGZOWVAKU-GFCCVEGCSA-N 210.365 3.722 30 20 BHED Cc1cccc(C=NNc2ccc(F)cc2)c1C 731149340 VNNITVZMTCVUFO-UHFFFAOYSA-N 242.297 3.889 30 20 BHED Cc1ccc(/C=C\C(=O)c2cncs2)cc1C 735792230 AFTVMCNHEMDICJ-WAYWQWQTSA-N 243.331 3.656 30 20 BHED CC(=NNc1ccc(C)cc1)C1CCC1 747624360 MIGIPORGGZSMOG-UHFFFAOYSA-N 202.301 3.583 30 20 BHED C=CCCCC(=O)N[C@H](CC)C1CCCCC1 748305184 XXHMSRKSKFNOBR-CQSZACIVSA-N 237.387 3.818 30 20 BHED C=C(Cl)CN(C)[C@@H]1CCCc2ccccc21 755079404 DPVXXUJWOOZMLE-CQSZACIVSA-N 235.758 3.748 30 20 BHED C#CC[C@@H](N[C@@H](C)CC1CCC1)c1ccccc1 773108272 VIOXHIAHMZMGOW-WMLDXEAASA-N 241.378 3.919 30 20 BHED CC1=CCC[C@@H](C)[C@H]1C=NOCC(F)(F)F 773207810 LZBITHUYFDWOID-ZJUUUORDSA-N 235.249 3.544 30 20 BHED CC(=NNc1c(C)cc(C)cc1C)[C@@H]1CCCO1 783848122 AGZCXAQIVFKEFE-AWEZNQCLSA-N 246.354 3.579 30 20 BHED CC(CCc1cccc(F)c1)=NOCC1CC1 814243489 ZBTPYKJVPIZOEL-UHFFFAOYSA-N 235.302 3.561 30 20 BHED CC(CC(C)(C)C)=NOC/C=C\Cl 834979245 LTWHLRYQFVJCEK-OOJWUIIBSA-N 203.713 3.568 30 20 BHED COc1ccccc1CON=C1CCC(C)CC1 836684864 OOWFALHIUBLZHA-UHFFFAOYSA-N 247.338 3.778 30 20 BHED CCCCNN=Cc1c(F)cc(C)cc1Cl 841618396 DWKVXPULDZESDW-UHFFFAOYSA-N 242.725 3.511 30 20 BHED CCCON=C(C)c1sc(C(C)C)nc1C 842555738 FLWCKJWXPLKBJZ-UHFFFAOYSA-N 240.372 3.726 30 20 BHED N#Cc1ccc(-c2ccn(CC3=CCCC3)n2)cc1 842648231 NWYJTDBTKPUVJT-UHFFFAOYSA-N 249.317 3.532 30 20 BHED CC(=NNc1ccccc1)c1nc(C)sc1C 916245875 HWUJVACQXAMILW-UHFFFAOYSA-N 245.351 3.596 30 20 BHED C[C@@H](c1ccc(C#N)cc1)N(C)c1ccsc1 1654903950 NZKLCMBWQCKRDS-NSHDSACASA-N 242.347 3.817 30 20 BHED CC(C)c1ccc(Nc2ncccc2C#N)cc1 387644 NQYBRPGFHNSPPI-UHFFFAOYSA-N 237.306 3.820 30 20 BHED C[C@H](NCCC#N)c1cc(Cl)ccc1Cl 20199663 PORGADWYUULLAW-QMMMGPOBSA-N 243.137 3.558 30 20 BHED Cc1ccccc1CNc1ccc(C#N)cc1F 44342269 LGXBKSOKNGOKRU-UHFFFAOYSA-N 240.281 3.618 30 20 BHED Cc1cccc(SC[C@H](C#N)CCC#N)c1 67438599 COABERWCOIYRFC-LBPRGKRZSA-N 230.336 3.531 30 20 BHED C[C@H](CC#N)N[C@H](C)c1ccc(C(C)(C)C)cc1 68609717 LHSJXJUPSIANTM-CHWSQXEVSA-N 244.382 3.937 30 20 BHED N#Cc1ccc(SCCc2cccs2)cc1 109866338 LKHHRTMNFHDXMM-UHFFFAOYSA-N 245.372 3.955 30 20 BHED CCc1cccc(NCc2ccc(C#N)s2)c1 135683766 FVTLULNZSAWCQS-UHFFFAOYSA-N 242.347 3.794 30 20 BHED C=CCCN[C@H](C)c1ccc(F)cc1Cl 162397578 XMRRJDDZPQCNFK-SECBINFHSA-N 227.710 3.706 30 20 BHED C=CCCC(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 176700732 ITNLPNMSZMOIHZ-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C=CCC1(C(=O)N2CC[C@@H](CC(C)C)C2)CCC1 188613951 DFBVULKRAHPYRZ-AWEZNQCLSA-N 249.398 3.627 30 20 BHED C=C(Cl)CN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 219212505 BKZHUGVMLPYCTJ-NTZNESFSSA-N 227.779 3.543 30 20 BHED Cc1cccc([C@@H](C)OC(=O)CC(C)(C)C#N)c1 278425813 YGGJJCUZVMSNQA-GFCCVEGCSA-N 245.322 3.539 30 20 BHED C=Cc1ccc(C(=O)N2CCCC[C@H]2C=C)cc1 341665810 COBKXIJEYAICGZ-OAHLLOKOSA-N 241.334 3.510 30 20 BHED C=C(CC)CN[C@](C)(CC)c1ccccc1 381217093 IESUVWNVWPDHFC-OAHLLOKOSA-N 217.356 3.868 30 20 BHED C=CC(C)(C)CN[C@H](C)c1cc(C)ccc1O 384933835 IUWOFBUJFUYBOK-GFCCVEGCSA-N 233.355 3.563 30 20 BHED C=CC[C@@H](CC)N[C@@H]1CCc2cc(F)ccc21 393770091 SFCYJXDWUXUIPR-UKRRQHHQSA-N 233.330 3.757 30 20 BHED CCCCCCC[C@H](C)NCC1(CC)COC1 393968458 VIUKJCKECVZYPU-AWEZNQCLSA-N 241.419 3.752 30 20 BHED CC1(C)CCC(CN2CCC[C@@H](CC#N)C2)CC1 397649759 LOWKXWMRCROHDC-AWEZNQCLSA-N 248.414 3.828 30 20 BHED C=CC[C@H](CC)NC(=O)C1C[C@H]2CCC[C@H](C1)C2 410143766 DUOGRIDBGXVAJZ-YDHLFZDLSA-N 249.398 3.674 30 20 BHED C=C1CCN(C[C@@H](C)c2ccc(F)cc2)CC1 438119610 UGBSFDMZPRAELZ-CYBMUJFWSA-N 233.330 3.581 30 20 BHED C=C(C)CCNCCc1ccc(F)cc1Cl 449477796 PTYXTWXLJJIYRE-UHFFFAOYSA-N 241.737 3.577 30 20 BHED C=C(CC)CNCc1cc2cc(F)ccc2o1 449735725 UQMFCHHEFGMTCI-UHFFFAOYSA-N 233.286 3.628 30 20 BHED C=CCCc1noc([C@H]2CC23CCCCC3)n1 453225049 DASUXVBGFZRILZ-LLVKDONJSA-N 232.327 3.626 30 20 BHED C=C(CC)CNC(=O)C[C@@H](C)c1ccccc1C 456813734 RKGDMXUBVPCMPZ-CQSZACIVSA-N 245.366 3.571 30 20 BHED C=C[C@@](C)(CC)C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 467940195 ZMLHHGBESSVBQT-AYDFFVQHSA-N 249.398 3.531 30 20 BHED C=CCCCN1CC[C@H](C(F)(F)F)C1(C)C 470009146 MMKDHUNVTVHRHG-JTQLQIEISA-N 235.293 3.615 30 20 BHED C=CCC(CC=C)C(=O)NCC1(CC)CCCC1 472190799 ILZKIQNNIAZSKV-UHFFFAOYSA-N 249.398 3.841 30 20 BHED C=C(CC)CSc1nnc(-c2ccccc2)o1 540215267 OWPAVRNIMCCGKY-UHFFFAOYSA-N 246.335 3.795 30 20 BHED CC[C@H](C)[C@@H]1CCCCN1CCC(C)(C)C#N 540665573 RNWPENCXNXNCDG-KBPBESRZSA-N 236.403 3.827 30 20 BHED CC[C@@H](C)[C@H](C)NCC#Cc1ccc(Cl)cc1 542542052 MKRJFJDOHFECLK-OLZOCXBDSA-N 249.785 3.716 30 20 BHED CC(C)(C#N)CCCCN1CC[C@@H](CC2CC2)C1 559410699 UCAINXITFMVPAB-HNNXBMFYSA-N 248.414 3.828 30 20 BHED C=C(C)CN1CCC2(CCCCC2)CC1 588170295 UTFOFWCXSFAVFX-UHFFFAOYSA-N 207.361 3.609 30 20 BHED CC(C)c1cnc(SCCC(C)(C)C#N)[nH]1 600585000 LWGITUCRAVTADY-UHFFFAOYSA-N 237.372 3.565 30 20 BHED C[C@H](CS[C@@H](C#N)C1CC1)c1ccccc1 601081246 MVLBGYXGJGNWLV-RISCZKNCSA-N 231.364 3.825 30 20 BHED C=C(C)CN(C)[C@H](C)c1ccc(C)cc1C 615464175 TXBDYRXNAHAITK-CQSZACIVSA-N 217.356 3.872 30 20 BHED C=CCC[C@H](C)NCc1cccc2[nH]ccc12 631808078 VHZXBKXOSHITCX-LBPRGKRZSA-N 228.339 3.612 30 20 BHED C=CCC[C@H](CCC)NCCC(C)(C)F 658192266 DTIZCMLXNVKTPE-LBPRGKRZSA-N 215.356 3.849 30 20 BHED C[C@H]1CC(=NNC2CC2)C[C@@H](c2ccccc2)C1 758126750 HWIQEEWLWAWKPP-OCCSQVGLSA-N 242.366 3.698 30 20 BHED C=CCC(CC=C)C(=O)Oc1ccc(C)c(C)c1 758502324 BDWGSTDPDBGWFA-UHFFFAOYSA-N 244.334 3.977 30 20 BHED C[C@H]1CC(C)(C)CC1=NNc1cccc(C#N)c1 766010785 NOVUXXBYMBTDCI-NSHDSACASA-N 241.338 3.782 30 20 BHED C#CCCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 776026183 KAZGTCSPBMXDCP-BYCMXARLSA-N 247.769 3.650 30 20 BHED C#CCC1(C(=O)N[C@H](CC)CCC)CCCCC1 788436828 OUCALEUMFIOTRU-CQSZACIVSA-N 249.398 3.655 30 20 BHED C[C@H]1CCCC(=NNCC2(C)CCCC2)C1 793090338 PLRNTKGHWOGCHD-LBPRGKRZSA-N 222.376 3.722 30 20 BHED CC[C@@H](C)CON=Cc1cc2ccccc2[nH]1 793146465 SHJKUBVBZRCFOO-LLVKDONJSA-N 230.311 3.565 30 20 BHED CC[C@H](C)CON=Cc1cnc(C(C)C)s1 793159428 OWSGAPMKYSEYIK-JTQLQIEISA-N 240.372 3.663 30 20 BHED CC(C)C[C@H](C)C=NNc1cc(Cl)ccn1 799113176 KRPZUNUQYWEEHR-JTQLQIEISA-N 239.750 3.815 30 20 BHED C=CC[C@H](N[C@H]1CCC12CCC2)c1ccncc1 800478435 HFKKCNQXOOTEIZ-GJZGRUSLSA-N 242.366 3.621 30 20 BHED C=CC[C@H](NC[C@@H](C)CC(C)C)c1ccncc1 809620920 RAUKBZKHQCSTQW-HOCLYGCPSA-N 246.398 3.971 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1ccsc1C 828148297 OHFZMSFMZMLXBI-JTQLQIEISA-N 223.341 3.597 30 20 BHED C[C@H]1CC[C@H](C)C(=NOCCC(F)(F)F)C1 834971767 HAKNFRCADLWLMJ-IUCAKERBSA-N 237.265 3.768 30 20 BHED CCCCCCSc1cccnc1C#N 848438565 VHILTEQSKNAUPH-UHFFFAOYSA-N 220.341 3.626 30 20 BHED CC(C)c1cccc([C@@H](C)NCC2(C#N)CC2)c1 903108569 DJOFLQFJWBOXBW-CYBMUJFWSA-N 242.366 3.764 30 20 BHED CC1CCC(=NN[C@H](C)c2ccccc2)CC1 920385605 DMJHYFJKDMHTLR-ZGTCLIOFSA-N 230.355 3.903 30 20 BHED Cc1cc(C)cc(C/N=C\c2ccccc2O)c1 1120854482 BMJHKVJSQYUVAY-BOPFTXTBSA-N 239.318 3.628 30 20 BHED CC[C@@H](NC/C=C\C1CC1)c1ccc(C#N)cc1 1324239921 MRMPUWZMMZRIKY-MJSXRHKHSA-N 240.350 3.565 30 20 BHED C[C@@H]1CCCC[C@H]1CN1CCCC(C)(C)[C@H]1C#N 1617735182 KWJKMAVKTAVNET-QLFBSQMISA-N 248.414 3.827 30 20 BHED CCC[C@@H]1CCCN([C@@H](C#N)c2ccccc2)C1 1642189057 MKMZRNLNRIODLX-ZBFHGGJFSA-N 242.366 3.763 30 20 BHED CC(C)C[C@H](C)Oc1ccc(C#N)cc1F 36886812 JUBUVRPYDAKHNI-JTQLQIEISA-N 221.275 3.511 30 20 BHED CCC(CC)CN(CC)Cc1cccc(C#N)c1 42270319 NFYZHIKJVBOJMY-UHFFFAOYSA-N 244.382 3.816 30 20 BHED C=CCCNc1ccc(OC(F)(F)F)cc1 70591328 ZULCEIBVVTUFFN-UHFFFAOYSA-N 231.217 3.573 30 20 BHED N#Cc1ccc(N[C@H]2CC=CCC2)cc1Cl 80119901 CFQXLHXUONQJKA-NSHDSACASA-N 232.714 3.732 30 20 BHED CC(C)Nc1ccccc1S[C@H](C)CC#N 88533446 RETCOMSLMLSCLZ-LLVKDONJSA-N 234.368 3.901 30 20 BHED C=CCCCCCN(C)Cc1cccc(O)c1 93498045 IBGMZUDQJVOQEM-UHFFFAOYSA-N 233.355 3.570 30 20 BHED C=CCSCc1csc(CCC)n1 114756599 HZWXIGKURGMMFS-UHFFFAOYSA-N 213.371 3.515 30 20 BHED C=CCC(CC=C)C(=O)Oc1ccc(C)cc1 121521640 AXQUHBSYGHXCIH-UHFFFAOYSA-N 230.307 3.669 30 20 BHED CC(C)(C#N)CCOc1ccc(Cl)c(F)c1 156274423 GOVVXIOKTXXOKB-UHFFFAOYSA-N 241.693 3.798 30 20 BHED C#CCCCCNC(=O)C[C@@H](C)C1CCCCC1 156632539 XPJPFSDMBASSLU-CQSZACIVSA-N 249.398 3.513 30 20 BHED C=C(C)CN[C@H](C)c1nc2ccccc2s1 163658644 KYIKIZFBWLNCTB-SNVBAGLBSA-N 232.352 3.523 30 20 BHED CC#CCNc1ccccc1CCC(F)(F)F 182309280 MMJDNQGCCJMIMZ-UHFFFAOYSA-N 241.256 3.617 30 20 BHED C#CCCCCN[C@@H](C)c1ccc(C)cc1C 222285361 LKLZQNGXUCSMFH-HNNXBMFYSA-N 229.367 3.758 30 20 BHED CC(C)(C#N)CCOc1ccc(C#N)c(Cl)c1 226057997 LJRWQODOSJLAQK-UHFFFAOYSA-N 248.713 3.530 30 20 BHED COc1ccccc1[C@@H](C)SCCCC#N 266247214 OJZBNFWRHAGLEN-LLVKDONJSA-N 235.352 3.793 30 20 BHED C=CCC[C@H](N[C@@H](C)CSC)c1ccco1 285947820 GAGBKSVLPYYEEZ-RYUDHWBXSA-N 239.384 3.628 30 20 BHED C#C[C@@H](N[C@H](C)Cc1ccc(Cl)cc1)C(C)C 302374841 OXPDCRRXSABLSX-IUODEOHRSA-N 249.785 3.518 30 20 BHED C=C(CC)CNc1cc(F)c(OC)cc1C 309749246 GJMBIQUIWNMBFF-UHFFFAOYSA-N 223.291 3.521 30 20 BHED Cc1nc(N[C@@H]2CC[C@H](C)C2)c(Cl)cc1C#N 336716134 PUWBOBUQYBZRBG-GZMMTYOYSA-N 249.745 3.516 30 20 BHED C=CCCNc1ccc(F)c(C2CC2)c1 336721601 DUFHQNQDRIAUJG-UHFFFAOYSA-N 205.276 3.691 30 20 BHED C=CC[C@H](CC)N[C@H]1CCCc2c(O)cccc21 340535009 CPJOMGUXUDNTHJ-WFASDCNBSA-N 245.366 3.714 30 20 BHED C=CC1CCN(Cc2ccc3occc3c2)CC1 347809615 JAHQBCIFRCFESZ-UHFFFAOYSA-N 241.334 3.831 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(F)cc1F 381295566 GFLZWCBJZWUKHX-JTQLQIEISA-N 225.282 3.582 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@H]1CC[C@H](CC)CC1 410119896 FGWCIAQZZIHGHO-MGPQQGTHSA-N 237.387 3.674 30 20 BHED C=CCN(C(C)C)[C@H](C)c1ccsc1 421008993 MQLMOVJYNVIPRE-LLVKDONJSA-N 209.358 3.706 30 20 BHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](CC)CCCC 436311897 YHSQEHHADPMFBI-ZNMIVQPWSA-N 239.403 3.526 30 20 BHED CC[C@@H](F)CN(Cc1ccc(C#N)cc1)C(C)C 440714180 PYFFFXKMYYRCKV-OAHLLOKOSA-N 248.345 3.517 30 20 BHED Cc1cc(N[C@H]2CC[C@H](C#N)C2)ccc1C1CC1 442843796 ULCYHXPJMSEUAY-WFASDCNBSA-N 240.350 3.977 30 20 BHED CC(C)c1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 442846123 NYWYUOIWEBXBPI-CJNGLKHVSA-N 242.366 3.592 30 20 BHED C=C(C)CNC(=O)Nc1ccc(C2CCC2)cc1 489809417 OZCNGYVIMXKREC-UHFFFAOYSA-N 244.338 3.652 30 20 BHED C=CC[C@@H](C)NC(=O)C[C@@H]1CCCCC1(C)C 503468946 UMDXHOFKHQGNIE-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C=C(C)CN(CC)Cc1ccc([C@H]2C[C@@H]2C)o1 505877849 XGPAWPNLSOATPZ-JSGCOSHPSA-N 233.355 3.801 30 20 BHED C=CCN(CCC(C)C)Cc1ccccc1F 519068692 LUGJBRFDKNFYLL-UHFFFAOYSA-N 235.346 3.860 30 20 BHED CCC(CC)N(CC)Cc1cccc(C#N)c1 580478050 MLVXRPWIWCNWDX-UHFFFAOYSA-N 230.355 3.569 30 20 BHED Cc1cc(C)c2c(c1)CC[C@@H]2NCCCCC#N 594493943 BPRFOTDVJLPJCU-HNNXBMFYSA-N 242.366 3.574 30 20 BHED C[C@H](CCC#N)CN[C@H](C)CCc1ccccc1 602504507 RYROCHRSUYMURF-HUUCEWRRSA-N 244.382 3.537 30 20 BHED C=CCCOC(=O)[C@@H](C)c1cccc(Cl)c1 744049512 RGQRJOQLSIHFOC-JTQLQIEISA-N 238.714 3.563 30 20 BHED C[C@@H]1C[C@@H]1C=NNc1cccc2ccccc12 758374207 CVVWPNDEGWQCGT-DGCLKSJQSA-N 224.307 3.894 30 20 BHED COc1cccc(NN=C2CC(C)(C)C[C@H]2C)c1 766003709 YGYYXMNXJFARNB-LLVKDONJSA-N 246.354 3.919 30 20 BHED CC1(C)CCCC[C@@H]1NN=C/C=C/c1ccco1 773123559 ABDJHQYGTHHQBH-HWBJWYQPSA-N 246.354 3.837 30 20 BHED C#CCCCCCC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 779809769 PQNGMQRDYQGZTE-HUUCEWRRSA-N 249.398 3.607 30 20 BHED C[C@@H]1CCCCC1=NN[C@@H]1CCCC1(C)C 782299450 GDHUCPCIIYJCLL-DGCLKSJQSA-N 222.376 3.721 30 20 BHED CCCC(=NNc1cncnc1)C1CCCCC1 794976783 RZYWUDDRDPUDOW-UHFFFAOYSA-N 246.358 3.625 30 20 BHED COCCCON=C1CCC(C(C)(C)C)CC1 795053246 KNBJNMNKQOGRRE-UHFFFAOYSA-N 241.375 3.632 30 20 BHED C=CC[C@@H](C)NCc1ccc2ccccc2c1O 816550372 PEQZDIPLVRHKLQ-GFCCVEGCSA-N 241.334 3.600 30 20 BHED CCCC(=NO[C@H]1CCCCO1)C1CCCC1 834967067 SCPYIAKKZNTHDG-AWEZNQCLSA-N 239.359 3.876 30 20 BHED C#CCC[C@@H](C)OC(=O)[C@@H](CC)c1ccccc1 839035385 XRAKIVAXIYSPPX-HIFRSBDPSA-N 244.334 3.525 30 20 BHED C=CCCCC(=O)N(c1cccc(F)c1)C(C)C 857673755 VXWWWKOSBNDHBU-UHFFFAOYSA-N 249.329 3.923 30 20 BHED CCCNN=C(C)C12CC3CC(CC(C3)C1)C2 915966094 WYMHFDCYGVPNAO-UHFFFAOYSA-N 234.387 3.578 30 20 BHED N#Cc1c(Cl)cccc1NCCCC(F)F 1119973769 CRLVUSFFSNLYPH-UHFFFAOYSA-N 244.672 3.669 30 20 BHED C=C(CC)C(=O)N(C)[C@H](c1ccccc1)C(C)C 1123658851 XPQKONITIRMOFR-HNNXBMFYSA-N 245.366 3.808 30 20 BHED N#Cc1cnccc1/C=C/c1ccc2c(c1)CCC2 1257398508 CPTACWGVFAMAAV-FNORWQNLSA-N 246.313 3.612 30 20 BHED CCC[C@H](C)OC(=O)CC1(C#N)CCCCC1 1261598099 PODXUXNNMTUGPC-LBPRGKRZSA-N 237.343 3.582 30 20 BHED CC(C)(C)ON=Cc1ccc(Cl)c(F)c1 1324558210 KDBHZMCYCUJUMV-UHFFFAOYSA-N 229.682 3.628 30 20 BHED Cc1ccc(CS[C@H](C#N)C2CC2)cc1C 1613639856 LBPCQWWBRLCOGE-CQSZACIVSA-N 231.364 3.839 30 20 BHED C#Cc1cccc(N[C@@H]2CCC[C@H](C)C2)c1 19876830 ZEHKQEHUUCYVSR-GXTWGEPZSA-N 213.324 3.659 30 20 BHED N#Cc1c(F)cccc1SC1CCCC1 57796995 ANDKTLVLVDPNOR-UHFFFAOYSA-N 221.300 3.732 30 20 BHED CC(C)CCSCc1cccc(C#N)c1 58239309 BSZOFHGVHXDDTK-UHFFFAOYSA-N 219.353 3.838 30 20 BHED C[C@@H](NCC1(C)CCCC1)c1ccc(C#N)cc1 104444811 PPLCOOWUZONCEN-CYBMUJFWSA-N 242.366 3.789 30 20 BHED CCCCCCCCC(=O)NC1CCCC1 106167197 QCQDKXLGJQGBNO-UHFFFAOYSA-N 225.376 3.796 30 20 BHED C=CCC[C@H](C)N[C@@H]1CC[C@H](C)[C@@H](C)C1 126907487 IVYQEUQAWDULLY-XDQVBPFNSA-N 209.377 3.755 30 20 BHED CCOc1ccc(NCC(C)(C)CCC#N)cc1 135133671 FTPAFGIJVYYPMZ-UHFFFAOYSA-N 246.354 3.827 30 20 BHED CC1(C)C[C@H](NCCCCC#N)c2ccccc21 178647497 HIFMOEIAMLGVLL-HNNXBMFYSA-N 242.366 3.692 30 20 BHED Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1F 185723651 CVWWQHHHCKWLHM-RYUDHWBXSA-N 232.302 3.628 30 20 BHED Cc1coc(S[C@@H](C)c2cccc(C#N)c2)n1 188324252 FGTRLTFLWOXWBZ-JTQLQIEISA-N 244.319 3.708 30 20 BHED N#Cc1ccc(/C=C/C=C/c2ccccc2)nc1 194596307 CUCUZGVJVCIZMW-KBXRYBNXSA-N 232.286 3.680 30 20 BHED CCCC[C@H](CC)CNc1ccnc(C#N)c1 233049416 JDSGXDJRDMCBQX-LBPRGKRZSA-N 231.343 3.582 30 20 BHED C[C@@H](NCC(C)(C)C#N)c1csc(Cl)c1 235203563 YGCWRVWUHGPAMF-MRVPVSSYSA-N 242.775 3.602 30 20 BHED C=CCC[C@@H](N[C@@H](C)CC=C)c1ccco1 309379791 ADRGKQZBKRUHAS-QWHCGFSZSA-N 219.328 3.841 30 20 BHED C=CCC[C@@H](NCC(C)(C)C)c1ccco1 309530437 DHCMNQAVIRYQHX-GFCCVEGCSA-N 221.344 3.923 30 20 BHED C=CCC[C@@H](CCC)NC[C@H](C)C(F)(F)F 310004333 FYSUSTGLDVHVOT-WDEREUQCSA-N 237.309 3.909 30 20 BHED C=C(CC)CN[C@H](CC)c1ccc(OC)cc1 313482372 MZVFZVASLXCSHY-OAHLLOKOSA-N 233.355 3.702 30 20 BHED C[C@H]1CCC[C@H](CCn2ccc(C#N)c2)C1 339204615 IKXSWQIDKNWDKX-QWHCGFSZSA-N 216.328 3.576 30 20 BHED C=CCC[C@@H](C)NCc1ccc(Cl)cc1F 381037833 BPERUXDCLPCULG-SNVBAGLBSA-N 241.737 3.923 30 20 BHED C=CC[C@H](CC)Nc1ccc(C#N)c(Cl)c1 381401463 RDFBWSJRCTYKCZ-NSHDSACASA-N 234.730 3.978 30 20 BHED CC1CCN(CCC2(C#N)CCCCC2)CC1 411146353 FIIIRJRMJCZIGI-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=C(C)C(C)(C)C(=O)NC1C[C@H](C)C[C@@H](C)C1 424690079 UEXPMTISBCABIJ-VXGBXAGGSA-N 237.387 3.530 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 424698085 UHCVXARKVQHYMY-MELADBBJSA-N 249.398 3.674 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCCC[C@H]1C 424750087 FTZYEDFFNUKVBG-HZSPNIEDSA-N 237.387 3.674 30 20 BHED CC(C)C[C@]1(C)CCCN1CCCCC#N 451290256 LRMPGVBSLILIBE-AWEZNQCLSA-N 222.376 3.581 30 20 BHED C=CCC1(CNC(=O)[C@@H]2CC=CCC2)CCCC1 456483730 HVIMFQVGUUDVNT-CQSZACIVSA-N 247.382 3.595 30 20 BHED CCN(CC[C@@H]1CCC[C@H](C)C1)C[C@@H](C)C#N 464866292 CLRVWHWJBROTKQ-KKUMJFAQSA-N 236.403 3.684 30 20 BHED C=CC[C@H]1N(C(=O)[C@@H](C)CC)CCCC1(C)C 470298191 RHMHOMCWKKJAFX-QWHCGFSZSA-N 237.387 3.626 30 20 BHED C=CCCC1(C(=O)NC[C@H]2CCC[C@@H](C)C2)CC1 475101295 CGMJNCPUFKAYQK-KGLIPLIRSA-N 249.398 3.675 30 20 BHED C=C(C)CN(C1CC1)[C@H](C)c1ccccc1 505785289 TVYOUWKNFFNJRU-CYBMUJFWSA-N 215.340 3.788 30 20 BHED C=CCCC(=O)N[C@@H](c1ccccc1)C(C)(C)C 522474232 LOPSOGMHRRREAK-HNNXBMFYSA-N 245.366 3.856 30 20 BHED CCC(C)(C)[C@@H](C)NCc1ccc(C#N)c(F)c1 583913864 DYOXCSSBLCZVFP-LLVKDONJSA-N 248.345 3.612 30 20 BHED Cc1ncccc1CSc1ccc(C#N)cc1 589255463 HGXLBVPWCIBDSL-UHFFFAOYSA-N 240.331 3.554 30 20 BHED CC(C)(CC#N)CNC1CCC(=C2CCC2)CC1 602691252 PMTVVCFUBKTGAT-UHFFFAOYSA-N 246.398 3.939 30 20 BHED C=CCC1(NC(=O)[C@@H](C)C2CCCC2)CCCC1 619107638 HBVZWLNLZSWNLC-ZDUSSCGKSA-N 249.398 3.818 30 20 BHED c1cc2c(s1)CCCC2=NOCC1CCC1 753821832 BINYDBUXEYRMSN-UHFFFAOYSA-N 235.352 3.605 30 20 BHED CCO[C@@H]1CCCC1=NNc1ccccc1CC 766434949 TZRRTJQAJUHLGN-OAHLLOKOSA-N 246.354 3.606 30 20 BHED CC(CCCC(F)(F)F)=NOCC(C)C 774392185 CSQPWZQYBGYIDE-UHFFFAOYSA-N 225.254 3.768 30 20 BHED C=C(Cl)CN[C@@H]1CC[C@H](Cc2ccccc2)C1 780530225 SEIDBXCOXIJRIT-HUUCEWRRSA-N 249.785 3.740 30 20 BHED Cc1cccnc1NN=CC(C(C)C)C(C)C 789050840 LUECYFXNEULBRQ-UHFFFAOYSA-N 233.359 3.716 30 20 BHED C=C(C)CNc1cnn(C(CC)CC)c1CC 789671783 YPSWKNLEHHUEBF-UHFFFAOYSA-N 235.375 3.795 30 20 BHED CCCC[C@H](C)C(C)=NNc1ncccc1F 807987727 NDDQWWCGLWFJFK-JTQLQIEISA-N 237.322 3.835 30 20 BHED CC1(C)C(=NOCC2CC2)C[C@H]1c1ccccc1 814243113 GHRRORIIRWRFMZ-AWEZNQCLSA-N 243.350 3.983 30 20 BHED C(=NNc1ccccc1)c1cccc2cc[nH]c12 814684171 GRWPMVFBEROPIA-UHFFFAOYSA-N 235.290 3.614 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccnc(Cl)c1 834883018 GNFUGSIRVCOVLE-SNVBAGLBSA-N 238.762 3.598 30 20 BHED C=C1CCC(c2nc(C3CCCC3)no2)CC1 904352042 PHLOQJXSDXIYIU-UHFFFAOYSA-N 232.327 3.941 30 20 BHED CC(CCc1ccco1)=NNc1ccccc1 917022389 KUHLHCXZNQBDIB-UHFFFAOYSA-N 228.295 3.700 30 20 BHED CCCCCCC(=O)OCc1cccc(C#N)c1 919228740 NDTJWYSIHDUUCN-UHFFFAOYSA-N 245.322 3.572 30 20 BHED C/C(=C\Cl)CSCc1ccc(C#N)s1 1329100104 PIOJREAPIYWDKE-XBXARRHUSA-N 243.784 3.996 30 20 BHED C=C(Cl)CN1CC[C@@H](C2CCCCC2)C1 1654155647 SGTKGMUFYKHUKS-CYBMUJFWSA-N 227.779 3.641 30 20 BHED CC[C@@H]1CCC[C@H](Nc2nc(C)ccc2C#N)C1 85066006 KJOWAYNUWGCINP-OCCSQVGLSA-N 243.354 3.642 30 20 BHED CC(C)(C#N)CCOc1ccc2c(c1)CCCC2 87596130 YREXSJPZDJDIKG-UHFFFAOYSA-N 243.350 3.884 30 20 BHED CC1(C)CCCN(Cc2cc(C#N)cs2)CC1 93660325 MYCKRMKANODMOM-UHFFFAOYSA-N 248.395 3.632 30 20 BHED CCC[C@@H]1CCCN(CCCC(C)(C)C#N)C1 120961776 IZRUTIVWUHOQDL-CQSZACIVSA-N 236.403 3.828 30 20 BHED CCCCCCCCCCC(=O)N(C)OC 136130914 VARNBRSTAGLYRL-UHFFFAOYSA-N 229.364 3.537 30 20 BHED N#CCC1(COc2cccc(Cl)c2F)CC1 167126574 VWKKAIKEBPIQLF-UHFFFAOYSA-N 239.677 3.552 30 20 BHED C#CCCCCC(=O)Nc1ccc(C(C)C)cc1 179614399 QLYUPGBXDHTXDV-UHFFFAOYSA-N 243.350 3.942 30 20 BHED C=CCCN[C@@H](CC)c1ccccc1OCC 179739074 ZGYABEDJSPMNFU-AWEZNQCLSA-N 233.355 3.702 30 20 BHED C=CCCC[C@H](C)NC(=O)C=C(CC)CC 182640291 YNSQOIDUXVABOG-LBPRGKRZSA-N 223.360 3.594 30 20 BHED C#CCCCNCc1c(Cl)oc2ccccc12 230347540 SODFVCCMFGVDCF-UHFFFAOYSA-N 247.725 3.589 30 20 BHED C[C@H]1CCCC[C@@H]1Nc1nccc(C#N)c1Cl 235594810 YNTHDXAURWDJAM-ONGXEEELSA-N 249.745 3.597 30 20 BHED N#Cc1cccc(CSCCCCF)c1 284920388 ARLXZNJCVHVQHA-UHFFFAOYSA-N 223.316 3.541 30 20 BHED C#CCCN[C@H](CCCCC)C(C)(C)C 309187078 PAHKUMDDUBPQIE-CYBMUJFWSA-N 209.377 3.594 30 20 BHED C=CCCCNc1ccc(C)c(OC)c1C 309860889 MMZBVUDFPJUHBS-UHFFFAOYSA-N 219.328 3.690 30 20 BHED C=C(CC)CN[C@H](C)CCc1ccc(OC)cc1 313497585 DFHFAKSGLGOCPW-CQSZACIVSA-N 247.382 3.572 30 20 BHED CCC1CC(N[C@@H](CCC#N)c2ccccc2)C1 342701329 RXTWJCRCVZAECV-BCLQGDPASA-N 242.366 3.810 30 20 BHED CC(C)CCN(CCC#N)C[C@H]1CC=CCC1 353425555 YLLSSEAJBSHYOK-HNNXBMFYSA-N 234.387 3.604 30 20 BHED C=CC(C)(C)CN[C@@H](C)Cc1ccc(F)cc1 385033189 LHWMKYMRQBKLTC-LBPRGKRZSA-N 235.346 3.559 30 20 BHED C=CCC(C)(C)C(=O)N1C[C@H](C)CCC[C@H]1C 410520275 XXCBIMBAICKDSP-CHWSQXEVSA-N 237.387 3.626 30 20 BHED CN(CCCCC#N)[C@@H]1CCC[C@H]1C(C)(C)C 419321972 GQCPFPCMMRVXSK-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED C=CCCCC[C@@H](C)NCC1CCSCC1 449145004 KEOGKKWWYAPGPW-CYBMUJFWSA-N 241.444 3.854 30 20 BHED C=CCC[C@@H](CCC)Nc1cccc(CCO)c1 449752498 GAPOWVJCWYEBHN-OAHLLOKOSA-N 247.382 3.768 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 467857031 UNPAZUMGVMUDSM-RGCMKSIDSA-N 237.387 3.530 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@@H](C(C)C)C1 474406238 FXJLTBIIKJJHDR-OAHLLOKOSA-N 249.398 3.649 30 20 BHED C=CC[C@H](C)NC(=O)N[C@@H](CCC)CCCC 483989799 WJRCIVGYFCZMJZ-STQMWFEESA-N 240.391 3.609 30 20 BHED Cc1cc(CN[C@H]2CCCC[C@@H]2C)ccc1C#N 488317443 VNFDMVCFKTXCEC-LRDDRELGSA-N 242.366 3.535 30 20 BHED C=C[C@H]1CCCCN1C(=O)CCC1CCCC1 488887875 ZTTHTZMDXVKYBN-AWEZNQCLSA-N 235.371 3.524 30 20 BHED C=CCC(C)(C)CNC(=O)CCC1CCCC1 489732842 HTVKMOWOTVYXOY-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCN(Cc1ccccc1F)[C@H](C)CC 501080290 WFOHSQIBSIDUND-GFCCVEGCSA-N 221.319 3.612 30 20 BHED C=C(C)CN(CC)C/C=C\c1ccccc1 505869230 VTHSXSYOCRAMLK-FLIBITNWSA-N 215.340 3.598 30 20 BHED C=C(C)CCc1noc(CC2CCCCC2)n1 508663463 QBOJMSIUXFTNIQ-UHFFFAOYSA-N 234.343 3.701 30 20 BHED C=C(C)CCN[C@@H](Cc1ccc(F)cc1)C(C)C 508981351 ZOWYPFPHPCRTRA-INIZCTEOSA-N 249.373 3.949 30 20 BHED C=C(C)CCN(C)Cc1ccc(F)c(C)c1 510813638 VPPDIDAYEWOYKT-UHFFFAOYSA-N 221.319 3.532 30 20 BHED C=CCN(Cc1cccc(C)c1)CC(C)C 520173755 ZLNITHRXLCHCQX-UHFFFAOYSA-N 217.356 3.639 30 20 BHED C=CCC[C@H](CCC)NC[C@H]1CCC[C@H]1OC 538195785 RPUJHXNGUQIUAC-QLFBSQMISA-N 239.403 3.526 30 20 BHED C[C@H](CCC#N)S[C@@H]1CCc2ccccc2C1 573267760 RMDDNONOTDSSCI-IUODEOHRSA-N 245.391 3.969 30 20 BHED C#CC(C)(C)Cc1ccccc1Br 585142683 YGGVXYVTFLQFPQ-UHFFFAOYSA-N 237.140 3.651 30 20 BHED C[C@@H](CCC#N)CN(C)[C@H](C)c1ccccc1 602433976 VEUXVXVQVUAOSB-UONOGXRCSA-N 230.355 3.619 30 20 BHED CC(C)(C#N)CCN1CC[C@@H](C2CCCCC2)C1 708832949 URXJJJAXUFZECX-OAHLLOKOSA-N 248.414 3.828 30 20 BHED C=CCCC(=O)Oc1cccc(C(C)(C)C)c1 726498077 FVZDXDMYHVUQIV-UHFFFAOYSA-N 232.323 3.856 30 20 BHED CC[C@H](C)C[C@H](C)/N=C\c1ccccc1O 743042448 LEDUXAMJJBNYCC-FYNLYHTJSA-N 219.328 3.636 30 20 BHED C[C@@H](C=NN=c1cc[nH]cc1)CC1CCCCC1 758126438 JPAOJIFETNCDPG-CYBMUJFWSA-N 245.370 3.508 30 20 BHED C=CC[C@@H]1N(C(=O)/C(C)=C/C)CCCC1(C)C 767219560 UJJQFXKEARIMFR-WHGQRRHOSA-N 235.371 3.546 30 20 BHED C#C[C@H](C)N(C)C(=O)CCCCCCCCC 767254405 GVDOQTCCDXUQJS-AWEZNQCLSA-N 237.387 3.607 30 20 BHED C#CCCCCCC(=O)N[C@@H](C)C1CCCCC1 779917879 LMOBXFVUSUKHRG-AWEZNQCLSA-N 249.398 3.655 30 20 BHED CCCCCCCN[C@]1(C)CCO[C@@H]1C1CC1 784588807 PRVKXKXWOMOZHK-HUUCEWRRSA-N 239.403 3.504 30 20 BHED C=CCCCCC[C@@H](C)NC[C@H]1CCCOC1 793522995 OPVYNAVGBIOZIK-HUUCEWRRSA-N 239.403 3.528 30 20 BHED C=CCCCCCCNC(=O)[C@@H](C)C(C)C 805220981 IKLJITBQRWWKCM-ZDUSSCGKSA-N 225.376 3.531 30 20 BHED C[C@H]1CC(=NOCCC2CC2)CC[C@H]1C 814246020 RWOUHPJZJSTWHR-MNOVXSKESA-N 209.333 3.615 30 20 BHED N#Cc1ccc(NN=CCC2CCCCC2)cc1 814802819 AFKYQFKWNAYWIE-UHFFFAOYSA-N 241.338 3.926 30 20 BHED C[C@@H](NN=C1CC[C@@H]1C1CCC1)c1ccccc1 814815210 QFDYKIDMLMPABW-IUODEOHRSA-N 242.366 3.903 30 20 BHED Clc1cccc(NN=C2CC[C@H]2C2CCC2)n1 814939579 WEUMKFKOZKUNKD-JTQLQIEISA-N 249.745 3.713 30 20 BHED CC(C)(C)SCCS[C@@H]1CC[C@@H](C#N)C1 829506391 UTSWVTNVMFGKAT-GHMZBOCLSA-N 243.441 3.944 30 20 BHED CSCC1CCC(=NOC2CCCC2)CC1 834968425 LFISSZFXYJCCSV-UHFFFAOYSA-N 241.400 3.855 30 20 BHED CCC(=NOC/C=C/Cl)c1ccsc1 834978767 IXICXEVRQALXQQ-OMEKVTPKSA-N 229.732 3.631 30 20 BHED N#CCCS[C@H]1CCc2cc(Cl)ccc21 840213724 QKVNQWIZJXQIGG-LBPRGKRZSA-N 237.755 3.974 30 20 BHED CCCCCCCC(=O)N1C[C@@H]2CCCC[C@@H]21 855062254 DLRBRPNCDRVETA-KBPBESRZSA-N 237.387 3.748 30 20 BHED C=C1CCC(C(=O)Nc2ccccc2F)CC1 887596746 DICBAXQNXGNFED-UHFFFAOYSA-N 233.286 3.511 30 20 BHED CC(C)n1cncc1/C=C/C(=O)C1CCCCC1 901445713 PVKRAKFQKDZMEB-CMDGGOBGSA-N 246.354 3.627 30 20 BHED CC[C@@H](CCc1ccccc1)NCC(C)(C)C#N 903101345 FOPWLUASVZRKCJ-HNNXBMFYSA-N 244.382 3.537 30 20 BHED C[C@@H]1CC[C@@H](NCC2(C#N)CC2)c2ccccc21 903102023 PUQBGAXMSSFQAL-IUODEOHRSA-N 240.350 3.518 30 20 BHED Cc1ccc(NN=Cc2ccc(F)cc2F)cc1 916250297 SPVXMXAXVLGROM-UHFFFAOYSA-N 246.260 3.719 30 20 BHED CCCC[C@@H](C)Nc1cc(C#N)ccc1OCC 1462068902 BNPQKWPRJORIOH-GFCCVEGCSA-N 246.354 3.948 30 20 BHED CCC[C@H](C)[C@@H]1CCCN1CC1(CC#N)CC1 1559647494 IYOPLYKAZJNDPU-KBPBESRZSA-N 234.387 3.581 30 20 BHED C[C@H](Nc1cccc(F)c1)c1ccc(C#N)cc1 19920679 SXWHWFCYDNYYOG-NSHDSACASA-N 240.281 3.870 30 20 BHED Cc1ccccc1-c1cc(Cl)ncc1C#N 34511014 JBOJBRDWKDVJOL-UHFFFAOYSA-N 228.682 3.582 30 20 BHED CCCC[C@@H](C)Nc1cccc(OCC#N)c1 37300648 AQJFAJBUYHAYIC-GFCCVEGCSA-N 232.327 3.580 30 20 BHED Cc1ccc(C#N)cc1NCc1ccccc1F 49488157 HWZZPFXMOFQUEX-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CC1(C)CCC[C@H]1Nc1ccc(CC#N)cc1 94306139 KSKQKGXAPYDQFF-CQSZACIVSA-N 228.339 3.743 30 20 BHED C=CCCC(=O)Oc1ccc(Cl)cc1C 102214955 UDACCDSYYVSALE-UHFFFAOYSA-N 224.687 3.520 30 20 BHED N#CCCCCN[C@H]1CCC[C@H]1c1ccccc1 118966729 RVGJFKNQEMNOQG-HOTGVXAUSA-N 242.366 3.606 30 20 BHED Cc1cc(F)cc2c1N(CCCCC#N)CCC2 125094155 TZNARORAENKUQB-UHFFFAOYSA-N 246.329 3.581 30 20 BHED CC(C)=CCOc1cc(Cl)ccc1C#N 128989537 KSPQWERAHWADNA-UHFFFAOYSA-N 221.687 3.557 30 20 BHED C=CC[C@H](C)NCc1ccc(OCCCC)cc1 134749158 PWGJWFGZBLZAFI-AWEZNQCLSA-N 247.382 3.920 30 20 BHED C=CCC[C@@H](CCC)NCc1cccc(C#N)c1 151398123 YAAVIBDDFSETBT-MRXNPFEDSA-N 242.366 3.783 30 20 BHED CCCCCCCC(=O)N(C)CCC1CC1 154116492 GTKQCEXNUTZVSE-UHFFFAOYSA-N 225.376 3.605 30 20 BHED CCN(CCC#N)[C@H]1CCc2c(Cl)cccc21 154852633 YTFZNWXHLLTLJF-AWEZNQCLSA-N 248.757 3.563 30 20 BHED C[C@H](CCC(C)(C)C)N[C@H]1CCC[C@H](C#N)C1 185839072 MDGVOJGRZIEONN-RDBSUJKOSA-N 236.403 3.873 30 20 BHED C=CCC1(C(=O)N2CCC(C(C)C)CC2)CCC1 188213525 HXXODPLYQIYATL-UHFFFAOYSA-N 249.398 3.627 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 248609225 PZGNMNUAXDIBGH-GZBFAFLISA-N 249.398 3.696 30 20 BHED Cc1cc(CSCCCC(C)(C)C#N)on1 268730573 LWPQVCCPNQTDME-UHFFFAOYSA-N 238.356 3.546 30 20 BHED C[C@@H](CCC#N)Sc1cc(F)ccc1F 276363518 PWLGVNJDOLOSBE-QMMMGPOBSA-N 227.279 3.749 30 20 BHED CSc1ccccc1[C@@H](C)N[C@@H](C)CCC#N 297935816 AAQHZZVCOOCSJY-NWDGAFQWSA-N 248.395 3.751 30 20 BHED CC(C)C[C@H]1CCN(c2cccc(F)c2C#N)C1 301416896 FUOCWETZQWHJAA-GFCCVEGCSA-N 246.329 3.570 30 20 BHED C=CCCCCN[C@H](C)c1ccc(F)c(F)c1 310080180 ITDMUFBUIFNNOK-LLVKDONJSA-N 239.309 3.972 30 20 BHED N#CC1(CSCc2cccc(F)c2F)CC1 344471389 UWYNHDQZMDRICR-UHFFFAOYSA-N 239.290 3.502 30 20 BHED CCCC[C@H](C)N(C)Cc1ccc(C#N)cc1F 381182207 RTVYSGBCHPBCJM-LBPRGKRZSA-N 248.345 3.708 30 20 BHED C=C(C)CCN[C@@H]1CCC[C@@H](C2CC2)C1 386901009 OTCSFZYVCYAUPQ-ZIAGYGMSSA-N 207.361 3.511 30 20 BHED CCCCCCCN[C@H](C)[C@]1(C)CCCO1 393910982 BXZXITGACDQVHH-KGLIPLIRSA-N 227.392 3.504 30 20 BHED N#CCCSCc1cc(Cl)ccc1F 413010154 FWGLRPQGOJKTLB-UHFFFAOYSA-N 229.707 3.626 30 20 BHED Cc1cc(CSCCC#N)c2ccccc2n1 413015780 UMLHANWTWBCMRT-UHFFFAOYSA-N 242.347 3.690 30 20 BHED N#CC1(CSCCC2=CCCCC2)CC1 419543363 KFPQEIMUMMEABZ-UHFFFAOYSA-N 221.369 3.914 30 20 BHED C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2CCCC[C@H]21 425411171 YBOVSRHAMRPXBW-UONOGXRCSA-N 249.398 3.770 30 20 BHED C=C(C)CN(CC)C(=O)[C@H]1CCC[C@@H]1CCC 448684826 QDYDJYBOEYMLAO-KBPBESRZSA-N 237.387 3.627 30 20 BHED C=C(C)CCN[C@@H](c1ncc[nH]1)C1CCCCC1 453327543 VZGWQTZXKUCDMT-CQSZACIVSA-N 247.386 3.587 30 20 BHED C=CCCCC(=O)NC1(CC)CCCCC1 456227091 HTKCMWIGQJWQIM-UHFFFAOYSA-N 223.360 3.572 30 20 BHED C=CCCCCNC(=O)C1(CC)CCCCC1 471673973 NDEFWDKWHNJEKW-UHFFFAOYSA-N 237.387 3.819 30 20 BHED CC(C)=CCC[C@H](C)CCN(C)C[C@H](C)C#N 482078681 SSSWNBXEQGWVNG-LSDHHAIUSA-N 236.403 3.850 30 20 BHED CC(C)N(CCC#N)Cc1ccc([C@H]2C[C@H]2C)o1 534341968 CQPZMSZMWOBRCR-OCCSQVGLSA-N 246.354 3.527 30 20 BHED C=CC[C@H](CC)NC(=O)c1cccc(C2CC2)c1 563359083 SYJYFJUWPCZLSS-HNNXBMFYSA-N 243.350 3.649 30 20 BHED C=CCCSCc1ncccc1Cl 600621582 ACNMAFHGIYFCTJ-UHFFFAOYSA-N 213.733 3.544 30 20 BHED C=CCN(CC1CCCCC1)C(=O)CCC1CC1 604232050 MCMJEEXBJIOLCE-UHFFFAOYSA-N 249.398 3.772 30 20 BHED CCC[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 611465492 KDSMZDSQKNSGOP-WDEREUQCSA-N 234.318 3.537 30 20 BHED CC(C)(C#N)CNCc1cc2ccccc2s1 612585287 VABSQUIOGPXORY-UHFFFAOYSA-N 244.363 3.541 30 20 BHED C=CCC1(C(=O)NCC2=CCCC2)CCCCC1 619997182 HOTKKTIREYGFAI-UHFFFAOYSA-N 247.382 3.740 30 20 BHED CC[C@H](C)C[C@H](C)N[C@H](C)CC(C)(C)C#N 695815103 KEHWDKVPLGWNAL-RWMBFGLXSA-N 224.392 3.729 30 20 BHED CC(=NNc1cccc(C)c1)C1CCC1 747624269 LPWDRZHEUKXRSI-UHFFFAOYSA-N 202.301 3.583 30 20 BHED CCc1ccc(C(C)=NOCc2ccccc2)o1 752162009 ZJOARXBGAGFQTC-UHFFFAOYSA-N 243.306 3.783 30 20 BHED C=C[C@@H](C)NC(=S)Nc1ccc(C(C)C)cc1 756795087 GNTWHYPRDZQRQJ-LLVKDONJSA-N 248.395 3.671 30 20 BHED C=CCCCC(=O)O[C@@H](C)c1ccc(OC)cc1 764422816 DRWIPBDCBUCNQD-LBPRGKRZSA-N 248.322 3.656 30 20 BHED C[C@H]1CC(C)(C)CCC1=NOCC(F)(F)F 764847061 MFZAYDSFTYMRMQ-QMMMGPOBSA-N 237.265 3.768 30 20 BHED CON=C(/C=C\c1ccccc1)c1ccccc1 767491705 XQTLKDRBVNIEJF-ADPHNMRASA-N 237.302 3.751 30 20 BHED CC(CC1CCC1)=NNc1nccnc1C(C)C 773074156 PCMZRGCCMBLGTL-UHFFFAOYSA-N 246.358 3.578 30 20 BHED Fc1ccc2c(c1)[C@@H](ON=C1CCC1)CCC2 775682570 ZCADJRXBUJTHTO-AWEZNQCLSA-N 233.286 3.760 30 20 BHED CC[C@H](C)NN=C[C@H]1CCCC(C)(C)C1 790189893 RXLYYXXNVHZCFS-RYUDHWBXSA-N 210.365 3.577 30 20 BHED COCCCON=C(C)CCC1CCCCC1 795054743 BDQQNVSRBPQFKS-UHFFFAOYSA-N 241.375 3.776 30 20 BHED COc1ccc(NN=C[C@H]2CC[C@H](C)C2)cc1 800814742 WWKUUFXEMDLLPC-RYUDHWBXSA-N 232.327 3.529 30 20 BHED C=CCC(C)(C)c1noc(C[C@@H](C)C2CC2)n1 815706673 SIGWALFLBBJCKA-SNVBAGLBSA-N 234.343 3.512 30 20 BHED C#CCCSC1CCC(C(F)(F)F)CC1 829930847 DWIPQAXWQGJZFY-UHFFFAOYSA-N 236.302 3.864 30 20 BHED Cc1ccc([C@H](C)C=NO[C@H]2CCCCO2)cc1 863103920 ODUDFBBBPFTQHA-HIFRSBDPSA-N 247.338 3.628 30 20 BHED C[C@H](SCCOC1CC1)c1cccc(C#N)c1 902371096 XEMKCBFLSSOWDP-NSHDSACASA-N 247.363 3.531 30 20 BHED CCCCCOc1ccc(C=NNCCC)cc1 915965605 LYLXFZXHLVGEGL-UHFFFAOYSA-N 248.370 3.589 30 20 BHED CCCCCCCOC(=O)/C=C\c1ccco1 918493506 ZPKDLRLEUNKZAD-KTKRTIGZSA-N 236.311 3.806 30 20 BHED CCC[C@@H](C)N(C)CCCCC1(C#N)CCC1 929251933 GZANCHNBWJXOOX-CQSZACIVSA-N 236.403 3.971 30 20 BHED CCN(CCC#N)CCC1C[C@@H](C)C[C@H](C)C1 1459603243 PJFZPAOJGYYOLD-KBPBESRZSA-N 236.403 3.684 30 20 BHED C=C(Cl)CN1CCc2ccccc2[C@@H]1C(C)C 1615862100 WDSTXXQKBKHZOG-HNNXBMFYSA-N 249.785 3.994 30 20 BHED N#Cc1ccccc1OCCCc1ccccc1 11886373 XPGKFUNHGDJMCV-UHFFFAOYSA-N 237.302 3.570 30 20 BHED N#Cc1ccc(N2CCC[C@@H]2C2CCCC2)cc1 44351043 JIGLAILOQQMSRO-MRXNPFEDSA-N 240.350 3.717 30 20 BHED CC(C)(C#N)CCCN1CCC[C@H]2CCC[C@@H]21 87770921 QELAWQNTRCQUDH-KGLIPLIRSA-N 234.387 3.581 30 20 BHED C=CC[C@@H](C)NCc1ccc(F)cc1Cl 122156955 YENXHKDBBMCATQ-SECBINFHSA-N 227.710 3.533 30 20 BHED C=CCCCC[C@@H](C)NCc1nc(C)cs1 131932667 ABIYPPOENOHYTC-LLVKDONJSA-N 238.400 3.676 30 20 BHED C=CCCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 181828108 HWGZDBUHIYYGGU-LBPRGKRZSA-N 248.326 3.520 30 20 BHED Cc1ccccc1/C=C/C(=O)c1ccccc1C#N 194588919 BXNDKZDHRNWVSF-ZHACJKMWSA-N 247.297 3.763 30 20 BHED C[C@H]1C[C@H](C)CC[C@H]1Nc1cccc(C#N)c1 221643311 WFZVBEHHVPCSAG-TYNCELHUSA-N 228.339 3.795 30 20 BHED N#CCc1ccc(NC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 250237857 FVLFAORJIPNOJR-KKUMJFAQSA-N 240.350 3.601 30 20 BHED C=CCCCC(=O)N1CCc2sccc2[C@@H]1C 267262790 QNYAFDWKENJWSL-NSHDSACASA-N 249.379 3.550 30 20 BHED C=CCSCc1ccc(C#N)cc1Cl 308509743 BLDQCMOUCKFOPH-UHFFFAOYSA-N 223.728 3.631 30 20 BHED C=CC[C@H](CC)NCc1ccc(F)c(C)c1 309434714 GXRGAAWUKODVII-ZDUSSCGKSA-N 221.319 3.578 30 20 BHED C=CCCCCNCc1ccc2ncccc2c1 336793643 XSVVCSMHSJUYKJ-UHFFFAOYSA-N 240.350 3.681 30 20 BHED Cc1ccc(CSCCC(C)(C)C#N)c(C)n1 342027808 XREDDKQFOXJVQP-UHFFFAOYSA-N 248.395 3.872 30 20 BHED C=CCCCSCc1cccc(NC(C)=O)c1 344573246 XIJMLQVKSSKAKQ-UHFFFAOYSA-N 249.379 3.844 30 20 BHED N#Cc1c(CSC2CCC2)cn2ccccc12 450995456 SJFZKHZAQAPCMO-UHFFFAOYSA-N 242.347 3.597 30 20 BHED C=CC[C@@H](CC)N[C@H](C)CCCc1cccnc1 453214701 NCADYZPTTHGOEJ-GDBMZVCRSA-N 246.398 3.737 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 499498072 LPTQIIXBVAMLPS-FRRDWIJNSA-N 237.387 3.530 30 20 BHED C=CCCC[C@H](C)N[C@@H]1CCC[C@@H]1CCOC 502395742 XXAXMOSIQBWZHT-RRFJBIMHSA-N 239.403 3.526 30 20 BHED C=CCN(CC=C)C(=O)[C@H](C)CC1CCCCC1 510108463 DKXHXFKSKDUQHY-CQSZACIVSA-N 249.398 3.794 30 20 BHED C=CCCCC(=O)Nc1cccc(CSC)c1 531120436 TWQBIHRMWDDPQB-UHFFFAOYSA-N 249.379 3.844 30 20 BHED C=CC[C@H](C)NC(=O)[C@@H](C)CCC(C)(C)C 544560376 JYYMQUCKADTEJK-RYUDHWBXSA-N 225.376 3.530 30 20 BHED C=CCCN1CC[C@](C)(c2ccc(C)cc2)C1 555016520 PEAOUUCSWXRCIY-INIZCTEOSA-N 229.367 3.535 30 20 BHED Cc1ccccc1SCc1ccc(C#N)cn1 578075588 YMKHSERPDXAYKG-UHFFFAOYSA-N 240.331 3.554 30 20 BHED Cc1cccc([C@H](C)NC[C@H](C)CCC#N)c1 602686395 QQLZCEVALRLGRR-KGLIPLIRSA-N 230.355 3.586 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@]2(C)CCC[C@@H]2C)C1 617779204 XDRHRZAQVNDGGG-SQWLQELKSA-N 249.398 3.627 30 20 BHED C=CCCC(C)(C)NC(=O)C[C@@H]1CCC[C@@H]1C 620857743 IEKVQGASABSDGF-STQMWFEESA-N 237.387 3.674 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1ccsc1 644716133 QOSPQXUIGBYNPF-SNVBAGLBSA-N 237.368 3.528 30 20 BHED C[C@@H](CC(C)(C)C#N)NC[C@@H](C)C(C)(C)C 710019158 SIIRIRPMQYIYQA-NEPJUHHUSA-N 224.392 3.587 30 20 BHED C=CCCC(=O)O[C@@H](C)c1cccc(Cl)c1 726656592 VYDKRWDAVJWWMQ-JTQLQIEISA-N 238.714 3.910 30 20 BHED C=CC[C@H](C)NC(=O)N[C@@H](C)CCCCCC 735089680 AJNSRTXVXVNXPS-STQMWFEESA-N 240.391 3.609 30 20 BHED C[C@@H](/N=C/c1cc(Cl)ccc1O)c1ccc[nH]1 760229023 MMQVRDCWHAOHES-PTPOTIKZSA-N 248.713 3.554 30 20 BHED COc1ccc(NN=C[C@H]2CCC[C@@H](C)C2)cc1 768366149 CBPBLXSULPRZRP-OLZOCXBDSA-N 246.354 3.919 30 20 BHED C#CC[C@H](N[C@H](C)[C@H](C)CC=C)c1ccccc1 773114660 JLADBSOLCFRBKQ-INMHGKMJSA-N 241.378 3.941 30 20 BHED C=CC[C@@H](C)C(C)=NOC1CCCCC1 777457519 VYRKHACYWVYFIG-LLVKDONJSA-N 209.333 3.924 30 20 BHED CCO[C@@H]1CC(=NOC2CCCCC2)C1(C)C 777458842 KDHFTTMMPPEAJS-CYBMUJFWSA-N 239.359 3.527 30 20 BHED CC(=NNc1cc(Cl)ccn1)C1CCCC1 777906824 OVHUMPWPGGUVNO-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C#CCCN[C@H](CC1CCC1)c1ccccc1 778237751 RQUCADOPRPXKES-MRXNPFEDSA-N 227.351 3.531 30 20 BHED CC(=NNc1cc(C)cc(C)c1)[C@H]1CCCOC1 779763597 RUKJRCVWWAGOSG-AWEZNQCLSA-N 246.354 3.518 30 20 BHED C[C@@H](C#N)CNN=CC1CCC(C(C)(C)C)CC1 783857136 UCOMALAKSCQDAV-HSBZDZAISA-N 249.402 3.574 30 20 BHED CC[C@@H](C)NN=C(C)c1oc2ccccc2c1C 790188950 LYWTXPBCYSDUAR-SNVBAGLBSA-N 244.338 3.853 30 20 BHED CCc1cccc(C)c1NN=C(C)c1ccco1 799494570 JSWZAZFVJPHTDV-UHFFFAOYSA-N 242.322 3.987 30 20 BHED CC[C@@H]1C[C@H](C)CCC1=NOC1CCC1 812238364 TZVFJBYKYVAOFD-GHMZBOCLSA-N 209.333 3.758 30 20 BHED COC1(C(C)=NNc2cc(C)cc(C)c2)CCC1 853275909 QBICOWNXWXSRKO-UHFFFAOYSA-N 246.354 3.660 30 20 BHED CCC(CCc1ccccc1)=NOCC(F)F 863107716 BEEVKZCZLDUQOT-UHFFFAOYSA-N 241.281 3.667 30 20 BHED C=CC(C)(C)CC(=O)N(C1CC1)[C@@H](C)C(C)C 888133015 PBXNBLMKHPULCU-LBPRGKRZSA-N 237.387 3.624 30 20 BHED Fc1ccc(NN=C/C=C/c2ccco2)cc1 920361820 ZIBSSCMIPOMOTF-VLOLNGOMSA-N 230.242 3.530 30 20 BHED N#C[C@H]1CCCC(=NNc2ccccc2Cl)C1 1117702219 QDEXZUYKMBOARF-JTQLQIEISA-N 247.729 3.822 30 20 BHED C=C(C)CCC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 1338403415 LENBHPVFWHBFLF-HZSPNIEDSA-N 235.371 3.522 30 20 BHED CCCC[C@@H](CCC)CNc1cccc(C#N)n1 1612109411 RGCBOMKTNHANLU-CYBMUJFWSA-N 245.370 3.972 30 20 BHED C[C@@H](CCNc1cccc(C#N)n1)CC(C)(C)C 1642572346 VNTMXABJGDIUHD-LBPRGKRZSA-N 245.370 3.828 30 20 BHED Cc1ccc(C)c(COc2ccc(C#N)cc2)c1 42199918 JPNSSHBIOWNHLI-UHFFFAOYSA-N 237.302 3.754 30 20 BHED CC(C)(C#N)CCOc1ccc(Cl)cc1 57713356 HAXDIDARQGLBCH-UHFFFAOYSA-N 223.703 3.659 30 20 BHED C=CCN(CCC)Cc1ccc(Cl)s1 60961520 AXDXCAOKPXIDOA-UHFFFAOYSA-N 229.776 3.800 30 20 BHED CCC1CCN(c2ccc(C#N)c(Cl)c2)CC1 61850971 QYMVSVHLFZLWID-UHFFFAOYSA-N 248.757 3.838 30 20 BHED C=CCC[C@@H](C)NCC(C)(C)c1cccs1 126838541 UBLNIGXRCRMJEI-GFCCVEGCSA-N 237.412 3.970 30 20 BHED C=C(Cl)CN[C@H]1CCCc2cc(F)ccc21 132263204 RQRGAFPNEAHYAO-ZDUSSCGKSA-N 239.721 3.545 30 20 BHED C=CC[C@H](C)NCc1ccc2ccccc2c1 134748148 FNYQMZYZGKKUKS-ZDUSSCGKSA-N 225.335 3.894 30 20 BHED C=C[C@@H](C)NC(=O)[C@@H](CC1CCCC1)C(C)C 155860885 MOIOVONIBYQFEK-OCCSQVGLSA-N 237.387 3.530 30 20 BHED C=C[C@H](C)N[C@@H](CC)c1ccc(C)cc1 157223447 ZEQSHIWJFZEZOU-JSGCOSHPSA-N 203.329 3.610 30 20 BHED C=CCCCCCn1nccc1-c1ccncc1 195391750 PGGQIHWCIUIZLO-UHFFFAOYSA-N 241.338 3.692 30 20 BHED C=CC(C)(C)c1nc([C@H](C)c2cccs2)no1 297513946 CTHYSYDATHFEGF-SECBINFHSA-N 248.351 3.747 30 20 BHED CC[C@H](C)[C@@H](NCC#N)c1ccc(Cl)cc1 309456257 MNUYREYCTKSBPQ-GXFFZTMASA-N 236.746 3.540 30 20 BHED CC[C@@H](CC#N)NCC1CCC(C(C)C)CC1 310250413 WFKYSMZFFSALTJ-NRXISQOPSA-N 236.403 3.731 30 20 BHED C=C(CC)CS[C@H](C)c1cccnc1 341996703 LDTIASVFQZFKRZ-LLVKDONJSA-N 207.342 3.842 30 20 BHED CCN(CC1(C#N)CC1)[C@@H](C)c1ccc(F)cc1 343138243 BPFMAFFSCRVSMM-LBPRGKRZSA-N 246.329 3.512 30 20 BHED C[C@H]1C[C@H](NCC2(CC#N)CC2)c2ccccc21 344088289 QBTYAJJNAOEJBV-WFASDCNBSA-N 240.350 3.518 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1sccc1C 385437238 GMASRHVQDLHSDZ-NSHDSACASA-N 223.385 3.919 30 20 BHED CC[C@@H](Nc1ccc(CC#N)cc1)[C@@H]1CC1(C)C 397784983 OZOXDZNCPOPHNK-LSDHHAIUSA-N 242.366 3.989 30 20 BHED C=CCN(C(C)C)[C@@H](C)c1ccsc1 421009010 MQLMOVJYNVIPRE-NSHDSACASA-N 209.358 3.706 30 20 BHED CN(CC1(C#N)CCC1)C1CCC(C)(C)CC1 450480374 AXTHEMNEZQBECY-UHFFFAOYSA-N 234.387 3.581 30 20 BHED C=C(C)CCN1CC[C@H](c2ccccc2)[C@@H]1C 509331295 LWKYSUXTKRZBTH-HOCLYGCPSA-N 229.367 3.831 30 20 BHED C=CCCN1CCC[C@@]1(CCC)C(F)(F)F 534298692 UNYUGFPIUHXNBK-NSHDSACASA-N 235.293 3.760 30 20 BHED CCCCN(CC1(C#N)CC1)[C@H]1CCC[C@@H](C)C1 550382892 VGVQMJFTCNAZOA-CABCVRRESA-N 248.414 3.971 30 20 BHED C=CC(C)(C)C(=O)Nc1cccc(CSC)c1 562516894 OSWXZYWGRKWJHB-UHFFFAOYSA-N 249.379 3.700 30 20 BHED CC1=CC[C@@H](Nc2cccc(CC#N)c2)CC1 565462207 YYIDWWXPNWCHJL-CQSZACIVSA-N 226.323 3.663 30 20 BHED C=CC1CCN([C@@H](C)c2ccccc2F)CC1 600681579 XHDNEQZHIBEESN-LBPRGKRZSA-N 233.330 3.785 30 20 BHED O=C(/C=C/c1cccc(Cl)c1)c1cncs1 735793170 RKNUVUDTLATOCY-SNAWJCMRSA-N 249.722 3.693 30 20 BHED COc1ccc(NN=C(C)c2ccsc2)cc1 750920818 CBPOUOAXQHBLQL-UHFFFAOYSA-N 246.335 3.593 30 20 BHED CCCCCCCC(=O)N[C@@H]1CCC(F)(F)C1 763870756 MOTPKWMNTKSBNR-LLVKDONJSA-N 247.329 3.651 30 20 BHED CCCCCCCCOC(=O)c1nccs1 773488663 MJNLOJXKKCVELG-UHFFFAOYSA-N 241.356 3.660 30 20 BHED C#CCCCCN[C@@H]1c2ccccc2CC[C@@H]1C 775416885 ZJFVCIIFUNXCIZ-YOEHRIQHSA-N 241.378 3.703 30 20 BHED C#CCCCCCC(=O)N[C@@H](C)CCC(C)C 779715812 OUTURIMESFOQDP-AWEZNQCLSA-N 237.387 3.511 30 20 BHED Cc1cc(F)ccc1NN=C[C@H]1CC[C@H](C)C1 800814413 NXLLWKLDEPYQRJ-JQWIXIFHSA-N 234.318 3.968 30 20 BHED C=CCCCCCCN[C@H](CC)c1cnn(C)c1 806168249 YYAFHXYGQQAWLK-OAHLLOKOSA-N 249.402 3.597 30 20 BHED Clc1ccc(C=NOCCC2CC2)s1 814246956 JXKCEQQLGRMNPG-UHFFFAOYSA-N 229.732 3.552 30 20 BHED FC(F)(F)CCON=CCC1CCCCC1 814909338 HSJXZMJNKNNEPN-UHFFFAOYSA-N 237.265 3.912 30 20 BHED CCCCCCCCNC(=O)[C@@]1(C)CC1(F)F 817439172 JDDDEMCIRAVMHD-GFCCVEGCSA-N 247.329 3.508 30 20 BHED CCCCCCCC(=O)N[C@@H](CC)C(F)F 833204995 ZDOAACBONRXHEI-JTQLQIEISA-N 235.318 3.507 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(C)c(C)c1O 834881710 DLSYAADADILXKZ-ZDUSSCGKSA-N 233.355 3.626 30 20 BHED Cc1cccnc1NN=C1CCCCC[C@@H]1C 844593248 NGNZKICGIVMCPU-NSHDSACASA-N 231.343 3.758 30 20 BHED C=CC(C)(C)CC(=O)Nc1ccc(F)cc1C 878067917 VHWNOGDPXYHZJL-UHFFFAOYSA-N 235.302 3.675 30 20 BHED CCCCCCCCN[C@@H](C)c1ncco1 886532012 BSPRBPFYWQOPAO-LBPRGKRZSA-N 224.348 3.686 30 20 BHED C=C1CC(c2noc(-c3sccc3C)n2)C1 896891426 UKOSJYNSFJUCIE-UHFFFAOYSA-N 232.308 3.540 30 20 BHED COC[C@@H](S[C@@H](C)CCC#N)c1ccccc1 901662233 IKXLMIYOUBJXGJ-GXTWGEPZSA-N 249.379 3.800 30 20 BHED C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1C(C)C 933065032 ANHYVBWFWJWXLI-KBPBESRZSA-N 237.387 3.626 30 20 BHED C=C(C)CN1C[C@@H]2CCCC[C@]21c1ccccc1 1319810014 XQJYSOHQOHSWBW-IRXDYDNUSA-N 241.378 3.964 30 20 BHED C=CC[C@H]1CCCN(Cc2ncoc2C(C)C)C1 1328424983 RECZGTRVKWGCBZ-ZDUSSCGKSA-N 248.370 3.586 30 20 BHED C=C1CC(c2noc([C@H]3CC34CCCC4)n2)C1 1334421183 GDTGQADOCGMRFT-LLVKDONJSA-N 230.311 3.551 30 20 BHED CC(C)CC1(C)CCN([C@H](C)CCC#N)CC1 1473522863 IYIJRYVIPZTGHF-CQSZACIVSA-N 236.403 3.827 30 20 BHED CC(C)CCC[C@@H](C)Nc1cccc(C#N)n1 81595814 PAHDPEDLFJKACO-GFCCVEGCSA-N 231.343 3.580 30 20 BHED CC(C)c1ccccc1NCc1ccc(C#N)o1 157466886 RMDGMENBFFQPPA-UHFFFAOYSA-N 240.306 3.887 30 20 BHED C=CCCN[C@@H](C)c1cccc(C(F)(F)F)c1 163822773 IUOVXWWWWWKXHK-JTQLQIEISA-N 243.272 3.932 30 20 BHED CC[C@H](C)CN(C)[C@@H](C)c1cccc(C#N)c1 189159962 VRMQWSPCPKZRLK-STQMWFEESA-N 230.355 3.597 30 20 BHED CC(C)C1CCC(Nc2cc(C#N)ccn2)CC1 205006749 DYPRJBHMEBSIDY-UHFFFAOYSA-N 243.354 3.580 30 20 BHED CC(C)(C#N)CCOc1cccc2ncccc12 231098257 HEBRLKJWTGXDKL-UHFFFAOYSA-N 240.306 3.553 30 20 BHED C=CCNc1cc(Cl)c(F)c(Cl)c1 236145475 RULSAFAWRUPOKV-UHFFFAOYSA-N 220.074 3.730 30 20 BHED C=CCCC(=O)N(CC)c1cc(C)ccc1C 263705086 VIFBQGAZVKRHFJ-UHFFFAOYSA-N 231.339 3.623 30 20 BHED C[C@@H](S[C@H]1CCCOC1)c1cccc(C#N)c1 335880548 ZCWJWZLLEQNCIH-RISCZKNCSA-N 247.363 3.531 30 20 BHED C=CCCCSCc1csc(CC)n1 344523493 BHTRYGQTULYTTL-UHFFFAOYSA-N 227.398 3.905 30 20 BHED C=CCCC(=O)N1CCC[C@H]1c1ccc(C)cc1 360279864 ORTZBQOJVXKREX-HNNXBMFYSA-N 243.350 3.625 30 20 BHED C=CCCC[C@H](C)N[C@H]1CCC[C@H]2C[C@H]21 378732505 LMUAEQCVRZVTFQ-FQUUOJAGSA-N 207.361 3.509 30 20 BHED CCCCCCCN[C@H](C)c1cscn1 394473443 ZDRIIMUGGUNBMD-LLVKDONJSA-N 226.389 3.764 30 20 BHED C[C@@H](CNc1ccc(C#N)cc1)CC(F)(F)F 396950256 POWFURSUZCWAGG-SECBINFHSA-N 242.244 3.559 30 20 BHED C=C(CN[C@@H](C)CCC1CC1)c1ccccc1 398129004 DOFVDHGVXNIVMP-AWEZNQCLSA-N 229.367 3.868 30 20 BHED C=CC(C)(C)CN[C@H](c1cccnc1)C1CCC1 453304190 FIIRIGJWXHFEPK-HNNXBMFYSA-N 244.382 3.725 30 20 BHED CC#CCS[C@@H](C)c1cccc(F)c1 464085532 BDNVASSDRZSUGJ-JTQLQIEISA-N 208.301 3.643 30 20 BHED N#CCc1ccc(N[C@@H]2CCC[C@@H]2C2CC2)cc1 468476691 WRKGBXLCTIPGII-HZPDHXFCSA-N 240.350 3.743 30 20 BHED C=CCCCCNC(=O)C[C@@H]1CCC[C@@H](C)C1 471700034 GMCGMLLXJFOFLP-ZIAGYGMSSA-N 237.387 3.675 30 20 BHED C=C(C)CCc1noc([C@@H](C)C(C)(C)C)n1 508595713 OYMYCLMHWKLTFU-SNVBAGLBSA-N 222.332 3.728 30 20 BHED C=C(C)CN(CC)C(=O)C[C@H]1CCCC[C@@H]1C 518737055 WSIXZGHVMLNFAS-UONOGXRCSA-N 237.387 3.627 30 20 BHED C=C(C)CN1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C 542919808 MEPYFKBJNSAYKP-STQMWFEESA-N 245.366 3.579 30 20 BHED C=CCCCc1nc([C@@H]2CCCC[C@H]2C)no1 547106282 VMFWBSGXIYWBLP-VXGBXAGGSA-N 234.343 3.872 30 20 BHED CC(=O)CCCCSc1ccc(C#N)c(C)c1 567501377 PKZVDHVHDQBQJJ-UHFFFAOYSA-N 247.363 3.718 30 20 BHED C=CCC(C)(C)CNC1CC(OC(C)(C)C)C1 571031646 CGCNPONEMYLSHQ-UHFFFAOYSA-N 239.403 3.524 30 20 BHED C=C[C@](C)(CC)C(=O)N1CC(C2CCCCC2)C1 584371221 WZBROJANNVWCFM-MRXNPFEDSA-N 249.398 3.627 30 20 BHED CCC1(CC)CCCN(CCCCC#N)C1 595753300 SFQAXTFQQRCIJV-UHFFFAOYSA-N 222.376 3.582 30 20 BHED CC[C@@H](NCCC1(C#N)CCCCC1)C1CC1 595766233 NFXLAQUEXCHUCK-CQSZACIVSA-N 234.387 3.629 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 614396645 PLNNKVYDHMWUIU-KBXIAJHMSA-N 249.398 3.674 30 20 BHED C=C(C)CCN[C@@H](CC)Cc1cccs1 648727787 ODHDEHQXRQMNBW-LBPRGKRZSA-N 223.385 3.625 30 20 BHED C[C@@H]1CCCC1=NNc1cc(F)cc(F)c1 729142100 MEZXWTSNVCDCLP-MRVPVSSYSA-N 224.254 3.553 30 20 BHED CCc1ccc(C(C)=NNc2ccccc2F)o1 752160817 MMJJPKFUHKFQIR-UHFFFAOYSA-N 246.285 3.817 30 20 BHED CCC(=NOCC(C)C)c1ccccc1F 778544313 IPYMQJSIMLYRTJ-UHFFFAOYSA-N 223.291 3.612 30 20 BHED CC(C)(C)CCNN=Cc1cscc1Cl 782903540 XCIJRQZIABFZKM-UHFFFAOYSA-N 244.791 3.761 30 20 BHED CC(=NNC1CCCC1)C1CCC(F)(F)CC1 788714450 BXEYODLFKCQZEH-UHFFFAOYSA-N 244.329 3.720 30 20 BHED CCCCCCCCC(=O)N1CCC[C@@H]2C[C@H]21 804293372 LOYYWQVLQLUPEJ-ZIAGYGMSSA-N 237.387 3.748 30 20 BHED C=CCCCC(=O)OCC1CCC(F)(F)CC1 837556788 CITRRYSAZQFKOY-UHFFFAOYSA-N 246.297 3.711 30 20 BHED CC(CCc1ccc(O)cc1)=NOCC1CCC1 853439875 NTTATSJLFAUPCN-UHFFFAOYSA-N 247.338 3.517 30 20 BHED CN(CC1(CC#N)CC1)C1CCCCCCC1 1307450085 JSJUZMJDERODSB-UHFFFAOYSA-N 234.387 3.725 30 20 BHED C=C(Cl)CN1CCCc2cccc(CC)c21 1307554093 BFGGVRPWPODCDE-UHFFFAOYSA-N 235.758 3.754 30 20 BHED C#CCCN1CCC[C@@H]1c1cccc(Cl)c1 1324492092 RAYUUBRBZFOTMC-CQSZACIVSA-N 233.742 3.500 30 20 BHED C=C(C)CCC(=O)N[C@H](c1cccs1)C1CC1 1347832033 DUKUNCIKKSAOIE-AWEZNQCLSA-N 249.379 3.672 30 20 BHED N#CCCSc1ccc2ccccc2c1 35120985 CMGVAYMVVBHTHW-UHFFFAOYSA-N 213.305 3.846 30 20 BHED C#Cc1cccc(NCc2ccc(F)cc2C)c1 50568996 PNWLAMPTOLUFQF-UHFFFAOYSA-N 239.293 3.728 30 20 BHED C=CC[C@@H](C)NC1CCC(CCC)CC1 124241951 MEBCCXNTTSQMQR-IYXRBSQSSA-N 209.377 3.900 30 20 BHED C=CCCCC[C@@H](C)NCc1occc1C 131930071 VWERLSIQFIIRDN-CYBMUJFWSA-N 221.344 3.813 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1ccc(C)o1 133105113 IFYYQYIAWGVRGL-WCQYABFASA-N 221.344 3.983 30 20 BHED CC(=O)c1cccc(NCCCC(C)(C)C#N)c1 133630054 HXTMVRSVORFAIB-UHFFFAOYSA-N 244.338 3.631 30 20 BHED C[C@H](CNc1ccc(Cl)cc1C#N)C1CC1 135471916 OKGSATNFMBESSE-SECBINFHSA-N 234.730 3.670 30 20 BHED C=C(Cl)CN[C@@H](c1ccccc1)C(C)C 135836357 CQBRMPYWNDVFPZ-CYBMUJFWSA-N 223.747 3.726 30 20 BHED C=CCCCC(=O)N(C(C)C)C1CCCC1 177822658 OEQSMLMVINLHSX-UHFFFAOYSA-N 223.360 3.522 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCCc2c(OC)cccc21 194925544 LYKOVHLFILNEFW-IUODEOHRSA-N 245.366 3.627 30 20 BHED C[C@H]1C[C@H](C)CC[C@@H]1NCc1cc(C#N)cs1 224161824 ARKIKTNOPDBKBK-SUNKGSAMSA-N 248.395 3.534 30 20 BHED C[C@H]1CCCCN([C@H](C)c2ccc(C#N)cc2)C1 248547586 GGGUCRVMVWFZEZ-UONOGXRCSA-N 242.366 3.741 30 20 BHED Cc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c(C)c1 274616051 LEUGCIQZFYHLKX-SOUVJXGZSA-N 242.366 3.646 30 20 BHED C=CCC(C)(C)C(=O)Nc1cccc(C)c1C 292397477 WUVATKVWEFSFDC-UHFFFAOYSA-N 231.339 3.844 30 20 BHED C#CCCCCNc1ccnc2ccsc12 301624040 FTBZOOLRDHSMOQ-UHFFFAOYSA-N 230.336 3.512 30 20 BHED C[C@@H]1CCC[C@H](COc2ccc(C#N)cc2)C1 302250033 AAHAWEONNYZKAS-OCCSQVGLSA-N 229.323 3.763 30 20 BHED C=C(Br)CSc1cccc(C)c1 307029617 MRFSSXSVZKGYRB-UHFFFAOYSA-N 243.169 3.996 30 20 BHED CC[C@@H](Nc1cc(C)cc(C#N)c1)C1CCC1 308119618 DAWMQZQPQUYSRZ-OAHLLOKOSA-N 228.339 3.857 30 20 BHED C=CCC(C)(C)CN[C@@H]1CCC(C)(C)C1 310242014 ISMJOSFARDEEIR-GFCCVEGCSA-N 209.377 3.757 30 20 BHED CC(C)[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 341761240 OXMCDQLGLANDFU-BLLLJJGKSA-N 242.366 3.570 30 20 BHED C=CCC[C@H](NC[C@H](CC)OC)c1ccccc1 353548300 LPAITTZKDBGECE-HOTGVXAUSA-N 247.382 3.709 30 20 BHED C=CCC[C@@H](CCC)N[C@@H](C)C(F)(F)F 390002569 UOXIAMWNWQOVCF-VHSXEESVSA-N 223.282 3.662 30 20 BHED C=C(C)CCN[C@@H](C(C)(C)C)C(F)(F)F 390009090 YEENQTOAUYLAEF-VIFPVBQESA-N 223.282 3.519 30 20 BHED CC#CCCCC(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C 412808631 GXXABPDXWUHTBR-UONOGXRCSA-N 249.398 3.511 30 20 BHED CC(C)C[C@H](C)C[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 424337554 ZLTCFIBDJRPNHM-LJISPDSOSA-N 236.403 3.729 30 20 BHED N#Cc1cc(Cl)ccc1CSCC1CC1 460876352 WISBTEAGQYPBTM-UHFFFAOYSA-N 237.755 3.855 30 20 BHED C=CC[C@@H](CC)NC(=O)c1c(C)cc(C)cc1C 466540906 HZNHERBEMFINFH-CQSZACIVSA-N 245.366 3.696 30 20 BHED C=CCC[C@@H](CCC)N[C@@H](C(C)C)C(C)(C)O 477850688 CBORKQIKZHHRRT-KGLIPLIRSA-N 241.419 3.506 30 20 BHED C=CCC(C)(C)CNC(=O)CC(CC)CC 489821765 AMRQBQZYJQPRHH-UHFFFAOYSA-N 225.376 3.531 30 20 BHED C=C(C)CCc1noc(C[C@H](C)CCC)n1 508605922 TYIVABWOIQSFIF-LLVKDONJSA-N 222.332 3.557 30 20 BHED C=C(C)CCN[C@@H](Cc1cccc(C)c1)C1CC1 509028256 FUKXJJGSTABQDI-KRWDZBQOSA-N 243.394 3.872 30 20 BHED C=CCCN1CCC(Cc2ccccc2F)CC1 532292709 WVSGXZIWDANPQS-UHFFFAOYSA-N 247.357 3.656 30 20 BHED CCC[C@@H](C)N(C)CC#Cc1cccc(Cl)c1 533001726 LOAJDMFJBLWPSE-CYBMUJFWSA-N 249.785 3.812 30 20 BHED CC(C)=CCSc1ccccc1C#N 578670228 OTSJPBVJFVCCBV-UHFFFAOYSA-N 203.310 3.617 30 20 BHED Cc1cc(SCC[C@@H](C)F)ccc1C#N 581190594 SISZRMJRRFQVEY-SNVBAGLBSA-N 223.316 3.707 30 20 BHED N#Cc1ccc(-c2ccc3cc[nH]c3c2)s1 589963078 XEWJYKAWBUSMDT-UHFFFAOYSA-N 224.288 3.768 30 20 BHED C[C@H](CCC#N)CNc1cccc(C(F)F)c1 602492845 YTUHKCWQUQVMOW-SNVBAGLBSA-N 238.281 3.976 30 20 BHED C=CCN(C(=O)CCCC1CC1)c1ccccc1 643388538 CNZZJCSVSDTXLU-UHFFFAOYSA-N 243.350 3.786 30 20 BHED C=C(Cl)CN1CCC2(CCCCC2)CC1 726692764 KEIDZEQFEPOZHS-UHFFFAOYSA-N 227.779 3.785 30 20 BHED CCC1(C)CCC(=NO[C@H]2CCCCO2)CC1 755825616 YWHPQZSRFYZAHS-LSLKUGRBSA-N 239.359 3.876 30 20 BHED N#Cc1ccc(-c2ccn(C3CCCC3)n2)cc1 758764069 WLAWCLQGMCBWOK-UHFFFAOYSA-N 237.306 3.537 30 20 BHED CC(C)[C@@H]1CCCC1=NN[C@@H]1C[C@H]2CC[C@H]1C2 774593845 SISBKQWVOVOIBI-PWNZVWSESA-N 234.387 3.577 30 20 BHED CCC(=NNc1cc(Cl)ccn1)C(C)C 777905169 CXZNXJGHPFENBG-UHFFFAOYSA-N 225.723 3.569 30 20 BHED C[C@H]1CCCC[C@@H]1C=NNc1cccc(C#N)c1 783821008 JMFWXCOBMFOLSV-GXTWGEPZSA-N 241.338 3.782 30 20 BHED C/C=C(/CC)C(=O)NCCCCCCCC 788930076 PTZFQQULIYLZKH-ACAGNQJTSA-N 225.376 3.819 30 20 BHED C=C(C)COC(=O)c1cc2c(C)cc(C)cc2[nH]1 806250580 WMLDLKAFZCLAEE-UHFFFAOYSA-N 243.306 3.518 30 20 BHED CCC(=NOC/C=C\Cl)c1ccc(F)cc1 811667674 ANJPMMRJCGTAAA-XXWJIRBXSA-N 241.693 3.709 30 20 BHED CC[C@H](OC(=O)CCCC#N)c1ccc(C)cc1 813063654 ASBKPZWPDQILMQ-AWEZNQCLSA-N 245.322 3.683 30 20 BHED C(=NOCCC1CC1)c1cc2ccccc2o1 814245507 VJJOTRDNQWAFEN-UHFFFAOYSA-N 229.279 3.583 30 20 BHED CSC(C)(C)CC=NNc1ccccc1 814684421 SEJPQHCNLSLQJW-UHFFFAOYSA-N 222.357 3.616 30 20 BHED Cc1cccc(NN=C2CC[C@H]2C2CCC2)c1 814687387 GTJYPGBUQGKEFF-AWEZNQCLSA-N 228.339 3.973 30 20 BHED CC[C@@H](C)CON=C1CC(c2ccccc2)C1 814939654 XYSQHTRILOKJRF-PUODRLBUSA-N 231.339 3.983 30 20 BHED C=CC(C)(C)CN[C@@H](C)CSC(C)(C)C 824789704 FOKKYVHUHGSDEE-NSHDSACASA-N 229.433 3.708 30 20 BHED CCC(=NNc1cccc(OC)c1)[C@@H]1C[C@@H]1C 841616185 FDOYHHLVZQXTQR-GXFFZTMASA-N 232.327 3.529 30 20 BHED C=CCCCCCCN[C@@H](C)c1cncnc1C 848550235 GXQVFRJAFOPVQU-ZDUSSCGKSA-N 247.386 3.572 30 20 BHED CC[C@@H](C)CON=Cc1cc2ccncc2s1 853349907 LCWVVHQUEONJMG-SNVBAGLBSA-N 248.351 3.693 30 20 BHED C=CCCC[C@H](C)OC(=O)C(C#N)(CC)CC 860197383 BAYYTWDKPRLMIN-LBPRGKRZSA-N 237.343 3.604 30 20 BHED C=CC(C)(C)CC(=O)Nc1cccc(F)c1F 888552529 PVOSOOGKZUAWTF-UHFFFAOYSA-N 239.265 3.506 30 20 BHED C=CCC1(NC(=O)/C=C(/C)Cl)CCCCC1 909222781 ZEBGWUYTTFBLOF-KHPPLWFESA-N 241.762 3.524 30 20 BHED C=C(C)COC(=O)c1cccc2c(C)c(C)[nH]c12 913334526 ZVKPWJQDZYBUKF-UHFFFAOYSA-N 243.306 3.518 30 20 BHED CCCCCCSc1nc(C)nc(C)c1C#N 915795705 VRRPLUNFSAPAGI-UHFFFAOYSA-N 249.383 3.638 30 20 BHED C=C(Cl)COc1ccc(C)c(Cl)c1 1307357880 AEVJCVYOBFCCKA-UHFFFAOYSA-N 217.095 3.780 30 20 BHED Cc1ccc(C#N)c(SCC2CCCCC2)n1 1639349596 NFNCVLIOVLAIOM-UHFFFAOYSA-N 246.379 3.934 30 20 BHED CC(C)(C)[C@@H]1CCC[C@H]1Nc1cccc(C#N)n1 1651933512 YIPJYUHWNSPLNI-CHWSQXEVSA-N 243.354 3.580 30 20 BHED Cc1ccc(Sc2ncccc2C#N)cc1C 15164389 ZFZPWNZKIMYIJQ-UHFFFAOYSA-N 240.331 3.721 30 20 BHED C[C@H]1CCC[C@H](Nc2ccc(C#N)cc2)C1 19950830 XHDKRSLPQADPDQ-FZMZJTMJSA-N 214.312 3.549 30 20 BHED Cc1ccc(CNc2cccc(F)c2C#N)s1 36138468 RDXXHZDWTHNBET-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C=C(C)CNc1ccc(OC(F)(F)F)cc1 49136304 LSSVAHNKIYGXRE-UHFFFAOYSA-N 231.217 3.573 30 20 BHED N#Cc1c(F)cccc1Nc1ccc(F)cc1 57652363 PJPLUQMACHYWJZ-UHFFFAOYSA-N 230.217 3.580 30 20 BHED Cc1ccc(Cl)cc1Oc1ccnc(C#N)c1 88729857 OMLIUVFEBWCQBS-UHFFFAOYSA-N 244.681 3.707 30 20 BHED C=C(Cl)CN[C@@H](C)[C@@H](C)c1ccccc1 129799872 KAVNALPUUKPDEO-NEPJUHHUSA-N 223.747 3.521 30 20 BHED C=C(Cl)CN[C@@H]1CCSc2ccccc21 135833991 BSBRTTAALXQFGP-LLVKDONJSA-N 239.771 3.566 30 20 BHED C=CCCN[C@@H](C)c1ccc(F)cc1Cl 162397440 XMRRJDDZPQCNFK-VIFPVBQESA-N 227.710 3.706 30 20 BHED C=CCCCSCc1cccc(C#N)c1 172215450 ZPYHSKHXNHCECU-UHFFFAOYSA-N 217.337 3.758 30 20 BHED CCc1ccccc1CN(CC#N)C1CCCC1 189028939 UIIMFMZYLKYWRV-UHFFFAOYSA-N 242.366 3.517 30 20 BHED C=CCCCCCN(Cc1ccccn1)C1CC1 193467517 URQSXGFNOZIVDD-UHFFFAOYSA-N 244.382 3.792 30 20 BHED N#Cc1cc(F)cc(NCC2CCCCC2)c1 227607675 XGEYPBKYFVDASK-UHFFFAOYSA-N 232.302 3.690 30 20 BHED CC[C@H](C)C[S@@](=O)CCCCC(C)(C)C#N 234006083 JLAQLEUYDIZTOV-LRDDRELGSA-N 243.416 3.501 30 20 BHED CC1=CC(=NNc2ccccc2Cl)CC1 254821795 JNYRRCAMDARRFV-UHFFFAOYSA-N 220.703 3.848 30 20 BHED C[C@H](CN(C)CCC(C)(C)C#N)c1ccccc1 271987965 DEJLNZHKWVRZKU-CQSZACIVSA-N 244.382 3.662 30 20 BHED C=CCCCCCCCCNCc1cocn1 288363920 DFRUTGLNQWFDGY-UHFFFAOYSA-N 236.359 3.681 30 20 BHED CC[C@@H](C)CSc1c(C#N)cccc1C#N 302883849 LGVCEDIKTUESNT-SNVBAGLBSA-N 230.336 3.568 30 20 BHED C=CCCNc1cc(Cl)cc(F)c1F 307204505 FXZLCFGMSCXVLF-UHFFFAOYSA-N 217.646 3.606 30 20 BHED C=C[C@H](C)N[C@H](CC)c1cc(Cl)ccc1O 310006988 HCAGOPXCIWZOJL-JOYOIKCWSA-N 239.746 3.661 30 20 BHED Cc1noc(C2CC2)c1N=C(O)C1CC(C)(C)C1 329112710 RNELISXONNJFRV-UHFFFAOYSA-N 248.326 3.885 30 20 BHED C=CCN(C)C(=O)Nc1cccc2ccsc12 336122336 QKRPRUXXBFMKOV-UHFFFAOYSA-N 246.335 3.551 30 20 BHED CCN(C/C=C\c1ccc(Cl)cc1)CCC#N 349873728 KZMMZKRLEKFIHH-HYXAFXHYSA-N 248.757 3.589 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)c1cnn(C)c1C 352930855 UQBYTKAVVUSIJS-OLZOCXBDSA-N 249.402 3.514 30 20 BHED CC(C)(C#N)CCCCN1CCC2(CC1)CC2 373037396 WHGZOCOCGRWKPM-UHFFFAOYSA-N 234.387 3.582 30 20 BHED CC#CCCSCCSC(C)(C)C 379382085 DPQMFFJLQWBEMN-UHFFFAOYSA-N 216.415 3.665 30 20 BHED C#CC[C@H](N[C@H](C)CCC)c1ccccc1 390554939 QBFXCJDTKYKHHI-HIFRSBDPSA-N 215.340 3.529 30 20 BHED C=CCC[C@@H](C)NC[C@@H](CC)CC(F)(F)F 402669747 NNVFSOWSOZTNQC-MNOVXSKESA-N 237.309 3.909 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)CC 424689167 KSNZJROIFCVHSE-NEPJUHHUSA-N 225.376 3.530 30 20 BHED C=C[C@H](C)N[C@H](C)Cc1coc2ccccc12 449195883 WQXDXOZPBYRPOY-NWDGAFQWSA-N 229.323 3.528 30 20 BHED N#CC1(CSc2ccc(F)cc2F)CCC1 450731731 ADQYCGIZFPZCLX-UHFFFAOYSA-N 239.290 3.751 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ncccc1CC 453307497 LNODBRHHLALOCW-GFCCVEGCSA-N 232.371 3.507 30 20 BHED C=C(C)CCN[C@@H](CC)c1ccc(C#N)cc1 453309077 DEUZRVVIWOCXPQ-HNNXBMFYSA-N 228.339 3.565 30 20 BHED C=CCCC(=O)Nc1cccc(C2CCC2)c1 462725397 HADXKZZHHNJNFC-UHFFFAOYSA-N 229.323 3.859 30 20 BHED C=CCN(CC1CCCCC1)C(=O)CC(C)C 482822529 BGILSZCMPRHZFD-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CCN(CC=C)Cc1ccc([C@H]2C[C@@H]2C)o1 505847712 FDMWIOKVHIHRFI-JSGCOSHPSA-N 231.339 3.577 30 20 BHED C=C(C)CCc1noc(-c2cc(C)cc(F)c2)n1 508675979 BVQPJGYXJSQROQ-UHFFFAOYSA-N 246.285 3.693 30 20 BHED C=CCCCCSc1nnc(C)n1C(C)C 562541834 GIEJAZNXRBRGDC-UHFFFAOYSA-N 239.388 3.616 30 20 BHED C=CCCCCCN1CCC(SC)CC1 602921670 WVSDHCGAQVWLMG-UHFFFAOYSA-N 227.417 3.560 30 20 BHED CC1(C)CCC[C@@H](C=NOCc2cccnc2)C1 752733638 FJAADVUWQHTMMZ-CYBMUJFWSA-N 246.354 3.800 30 20 BHED CC(=NOCC(F)(F)F)c1cc(C)ccc1C 764845929 CHRPYPPUCSXEHS-UHFFFAOYSA-N 245.244 3.606 30 20 BHED Cc1cccc(F)c1NN=Cc1ccccc1F 769827723 IHTVNBFZDMTYMJ-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C#CCCCCCC(=O)NC[C@H]1CCC[C@@H](C)C1 779860622 DVFQCZDYOQTFFU-CABCVRRESA-N 249.398 3.513 30 20 BHED CCCC(=NOCC(F)F)c1ccsc1 785460934 HASCMBSZVZGSPK-UHFFFAOYSA-N 233.283 3.534 30 20 BHED CCON=CCCc1c(Cl)cccc1Cl 790155167 FLCKWDRZUGXTOK-UHFFFAOYSA-N 246.137 3.948 30 20 BHED CCC(=NNc1cccc(Cl)n1)C(C)C 793175862 WTQVYLHESLEAHC-UHFFFAOYSA-N 225.723 3.569 30 20 BHED CC(C)=CCCC(C)=NN[C@@H](C)c1ccncc1 819816567 LIAPXYWEDZJRQY-AWEZNQCLSA-N 245.370 3.855 30 20 BHED C=C[C@@H](OC(=O)CC(C)C)c1ccccc1 851453973 VYOLKWFWCHWLFZ-CYBMUJFWSA-N 218.296 3.503 30 20 BHED C=CCN(Cc1ocnc1C)CC1CCCCC1 894021256 QKJYMYUBHCTGQE-UHFFFAOYSA-N 248.370 3.551 30 20 BHED CC(=NNc1ccccc1)c1cc(F)ccc1F 916245940 NJSOYOWCOGZQRB-UHFFFAOYSA-N 246.260 3.801 30 20 BHED CC(=NNc1cccc(F)c1)c1ccc(C)cc1 920384561 XEIYSTYNKISZPO-UHFFFAOYSA-N 242.297 3.970 30 20 BHED Cc1ccc(NN=CC(C)C)cc1Cl 1324429778 RGVGQXBBNUKFFW-UHFFFAOYSA-N 210.708 3.702 30 20 BHED N#Cc1ccccc1SC1CCCCC1 37488301 UTFNASPGZRJPSQ-UHFFFAOYSA-N 217.337 3.983 30 20 BHED Cc1ccc(C#N)c(Oc2ccc(Cl)cc2)n1 43400236 GDVVNGJNMXLNCW-UHFFFAOYSA-N 244.681 3.707 30 20 BHED CC/C=C(/C)C(=O)Nc1ccc(C#N)c(Cl)c1 59348320 SXKBDXNZBIHEBU-WTKPLQERSA-N 248.713 3.506 30 20 BHED Fc1cccc(NN=C2CCCCCC2)c1 63424302 VIKLKYUPUUNCEN-UHFFFAOYSA-N 220.291 3.948 30 20 BHED CC(C)CCCNc1cccc(F)c1C#N 84148516 WVMGDUNKWFFLJK-UHFFFAOYSA-N 220.291 3.545 30 20 BHED CC(C)CCC1CCN(CCCCC#N)CC1 124939537 IXEQWIWNWNJYBL-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C=C(Cl)CN[C@H]1CCCC[C@H]1C(C)C 126068610 BJVOKOFSRMDBNH-RYUDHWBXSA-N 215.768 3.543 30 20 BHED Cc1cc(SC2CCCC2)ccc1C#N 133540950 CVSJQNDEJQIVSN-UHFFFAOYSA-N 217.337 3.901 30 20 BHED Cc1ccc(C)c([C@H]2CCCN2CCCC#N)c1 133580264 IBLMJBMAGGRYIO-MRXNPFEDSA-N 242.366 3.744 30 20 BHED C=CCC(CC=C)C(=O)N1C[C@H](C)CCC[C@@H]1C 150858652 YDHBLYHOMRBGBO-KGLIPLIRSA-N 249.398 3.792 30 20 BHED C=C(Cl)CN[C@@H](C)c1ccc(CC)s1 161747885 MNGRALVDZRTKKS-VIFPVBQESA-N 229.776 3.714 30 20 BHED CC(C)(CN[C@@H]1CCC[C@@H](C#N)C1)C1CCCC1 185870937 BZSODERFRVKFMG-UKRRQHHQSA-N 248.414 3.875 30 20 BHED C=C[C@H](C)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 252715935 XDIHCRAYGXBHEP-REWJHTLYSA-N 207.361 3.509 30 20 BHED CC(C)[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1 274661925 VQUGHLPMDUBNCV-BPUTZDHNSA-N 242.366 3.666 30 20 BHED C=CCCC(=O)Nc1ccccc1NC(C)(C)C 276684679 PHPPMLTXAKHVHO-UHFFFAOYSA-N 246.354 3.802 30 20 BHED C[C@H](NCCC1(C)CC1)c1ccc(C#N)c(F)c1 280124042 OMTCUUPNDRTHSW-NSHDSACASA-N 246.329 3.538 30 20 BHED Cc1ccccc1[C@@H](CC(C)C)NCCC#N 299044585 RYFBNRXVHSYNSH-OAHLLOKOSA-N 230.355 3.586 30 20 BHED C=CCCCNc1ccc2ccoc2c1 308873589 RTJUQOCPMLTURN-UHFFFAOYSA-N 201.269 3.811 30 20 BHED CC[C@H](C)c1ccc(OCCO[C@@H](C)C#N)cc1 310716337 NZIXFKKFRLDIRU-STQMWFEESA-N 247.338 3.508 30 20 BHED C=CCCSCc1ccn(C2CCCC2)n1 339090781 IHDUZUBZHVXWGH-UHFFFAOYSA-N 236.384 3.808 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCCc2ccc(C)cc21 340542291 LTIPNHMUYWCIRK-CZUORRHYSA-N 229.367 3.927 30 20 BHED C[C@H](C#N)SCc1ccccc1C1CC1 341552728 LXUDERURHZGIIA-SNVBAGLBSA-N 217.337 3.709 30 20 BHED C[C@H](CCc1ccccc1)CNCCCCC#N 344256987 HDCFPRXPRSPIBJ-OAHLLOKOSA-N 244.382 3.539 30 20 BHED C[C@H](N(CCC#N)Cc1ccccc1)C(C)(C)C 346028655 HFLKMUHVIJSQAQ-AWEZNQCLSA-N 244.382 3.837 30 20 BHED C=CCCCCC[C@H](C)NCC(C)(F)F 378869808 KVAAEBZUDOXGLM-NSHDSACASA-N 219.319 3.756 30 20 BHED C=CCCCCC[C@@H](C)NCC1(SC)CC1 381600690 NMPIQHWNQDTUMY-CYBMUJFWSA-N 241.444 3.997 30 20 BHED C=C(C)CCNc1cccc(Cl)c1C#N 386663124 DWIKDOQJDGPCLG-UHFFFAOYSA-N 220.703 3.590 30 20 BHED C=CCCC[C@H](C)N[C@@H]1CCC[C@@H]2C[C@@H]21 398069776 LMUAEQCVRZVTFQ-RFQIPJPRSA-N 207.361 3.509 30 20 BHED N#CCCS[C@H]1CCCc2ccc(F)cc21 413009812 DPDVGBINNFUTRV-ZDUSSCGKSA-N 235.327 3.850 30 20 BHED C=C(CC)CSCCC1CCOCC1 419440523 KYFFQYKISBKLRS-UHFFFAOYSA-N 214.374 3.503 30 20 BHED CC(C)(C)[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@H](C#N)C1 424330791 RDXBBWWVFUPHSF-YJNKXOJESA-N 248.414 3.873 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H](CC)C1 424685170 ONNVMUSFCFKLKR-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C=C[C@@H]1CCCCN1Cc1ccsc1Cl 426544928 OPMSXMCAAOXYNY-LLVKDONJSA-N 241.787 3.942 30 20 BHED C=CCCCSc1ccccc1C#N 439712814 XJBIIUWAQMHKOT-UHFFFAOYSA-N 203.310 3.617 30 20 BHED C=CCCc1noc([C@H](C)SCCCC)n1 453249841 VQMYIWFCKBISMJ-JTQLQIEISA-N 240.372 3.783 30 20 BHED C=CCC[C@@H](NC[C@H]1CCCC1(F)F)C1CC1 453315015 GKMSFIQAJLPJFF-CHWSQXEVSA-N 243.341 3.756 30 20 BHED CC(C)(C#N)CCCN1CCc2cccc(F)c21 490030575 ZYZROHFDFVREPT-UHFFFAOYSA-N 246.329 3.518 30 20 BHED C=CCc1ccccc1OCC1CC(OCC)C1 505690505 RTQUMAQEKAPDGH-UHFFFAOYSA-N 246.350 3.609 30 20 BHED CCOC1CC(Sc2ccc(C#N)c(C)c2)C1 592355550 SVEJWSGPUDSTCA-UHFFFAOYSA-N 247.363 3.526 30 20 BHED CCCCCN[C@@H]1CCCc2cc(C#N)ccc21 611390386 XDGJBIHFQDKPKO-MRXNPFEDSA-N 242.366 3.715 30 20 BHED c1ccc2cc(CON=C3CCC3)ccc2c1 739899601 SBVFFECLJUMUHV-UHFFFAOYSA-N 225.291 3.896 30 20 BHED CC(C)c1nc(C(=O)/C=C\c2cccs2)co1 752887348 KCGLJWZOEOCMFM-WAYWQWQTSA-N 247.319 3.756 30 20 BHED CC[C@H](C)C(C)=NNc1cc(F)cc(OC)c1 759209231 CMSKVXXWBDYADO-VIFPVBQESA-N 238.306 3.668 30 20 BHED CCC(=NNc1cccc(C#N)c1)c1ccccc1 767336421 MRVJELIZFQRJPY-UHFFFAOYSA-N 249.317 3.784 30 20 BHED C=CCC[C@H](Nc1ccc(N(C)C)cc1)C1CC1 777602323 KVKIRRFDVLDEJA-INIZCTEOSA-N 244.382 3.909 30 20 BHED CCC(=NNc1ncccc1F)C1CCCCC1 794980797 PBASRRZFGIPEBB-UHFFFAOYSA-N 249.333 3.979 30 20 BHED CCc1cccc(C)c1NN=C(C)c1ccc[nH]1 799493481 DCUXYBBNVAIVEQ-UHFFFAOYSA-N 241.338 3.722 30 20 BHED CC(CCc1ccc(F)cc1)=NOCC1CC1 814244636 DIQCBLWBWDNVRP-UHFFFAOYSA-N 235.302 3.561 30 20 BHED CC[C@@H](C)CC=NNc1ncnc2sccc12 834933010 ADFNCHMIWLUANG-SECBINFHSA-N 248.355 3.525 30 20 BHED CO[C@@H](C)C(C)=NNc1ccc(C(C)C)cc1 835017773 AJUMNCIUEJBBCP-LBPRGKRZSA-N 234.343 3.633 30 20 BHED C=C[C@@H](C)ON=C(C)CCc1ccsc1 844621728 LXBWAWKEYRBFBC-LLVKDONJSA-N 223.341 3.648 30 20 BHED C[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)C(C)(C)C 851210934 ZXZDGDPEFWCDCC-GHMZBOCLSA-N 239.359 3.540 30 20 BHED C=CC[C@H]1CCCN(C(=O)/C(C)=C(\C)CC)C1 855438264 DKZSFVBDMGNNLT-FNDVETGQSA-N 235.371 3.548 30 20 BHED CCC(=NNc1ncccc1Cl)C(C)C 917549575 UUFDMXVNQGZIQJ-UHFFFAOYSA-N 225.723 3.569 30 20 BHED CCCCCCCCC(=O)NC[C@@H](C)C1CC1 920034158 PZNSXIOSDYRZDX-CYBMUJFWSA-N 239.403 3.899 30 20 BHED CCCN(CC1CCCCC1)[C@H]1CC[C@H](C#N)C1 1459346896 GENXGSREIDHOKJ-HOTGVXAUSA-N 248.414 3.971 30 20 BHED CCC[C@@H](NCC(C)(C)CC#N)[C@@H]1CC1(C)C 1659994812 GIHSFLCSABQOII-QWHCGFSZSA-N 236.403 3.731 30 20 BHED N#Cc1cccc(NC2CCCCCC2)c1 19921949 YBZBETHDQLPIOK-UHFFFAOYSA-N 214.312 3.693 30 20 BHED CCCCCCCCNCc1c(C)noc1C 105807710 QYPNYSFHNJDRPY-UHFFFAOYSA-N 238.375 3.742 30 20 BHED C#Cc1cccc(NCc2ccc(C)c(F)c2)c1 110974345 GPHYAMMLRPIDPA-UHFFFAOYSA-N 239.293 3.728 30 20 BHED C#CCCCCC(=O)N(C1CC1)[C@H](C)[C@@H](C)CC 120109194 ITYJOTXQLYYZGC-UONOGXRCSA-N 249.398 3.606 30 20 BHED CCCCCCC[S@@](=O)c1cccc(F)c1 127427238 FIHUXRJPOPUREC-INIZCTEOSA-N 242.359 3.904 30 20 BHED C=C(Cl)CN[C@H]1CC(C)(C)Cc2occc21 129794022 BHQHFCGOORHSBN-NSHDSACASA-N 239.746 3.635 30 20 BHED C=C(Cl)CNC(=O)CCCCCCCC 134806031 XQKNVBLCUQKJNR-UHFFFAOYSA-N 231.767 3.606 30 20 BHED CCC1(CNCC(C)(C)CCC#N)CCCC1 152241360 BIPIRGVTTPVNFP-UHFFFAOYSA-N 236.403 3.876 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 157259116 ZVQXFZQASYXFNM-BDAKNGLRSA-N 227.710 3.704 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1sccc1C 161679749 XXAIPBBKVPFDHA-GHMZBOCLSA-N 209.358 3.672 30 20 BHED CC(C)CC[C@@H](NCCCC#N)C(C)(C)C 179902418 BMGNKBTXKIUCLX-CYBMUJFWSA-N 224.392 3.731 30 20 BHED CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 274199165 KFZKEBXBLUVDMH-IMJJTQAJSA-N 242.366 3.810 30 20 BHED C=CCN(C)C(=O)Nc1cccc(C2CCC2)c1 292049152 MRZMLCCRTSHCHC-UHFFFAOYSA-N 244.338 3.604 30 20 BHED C#CCCCCNc1ccnc2cc(F)ccc12 301654621 USQQBQOYXQYQMB-UHFFFAOYSA-N 242.297 3.589 30 20 BHED C[C@@H]1CCC[C@@H](COc2ccc(C#N)cc2)C1 302250036 AAHAWEONNYZKAS-TZMCWYRMSA-N 229.323 3.763 30 20 BHED Cc1cc(C#N)cc(N[C@@H]2CCC[C@H](C)C2)c1 308101691 HWGJZDNLSZKEBK-SMDDNHRTSA-N 228.339 3.857 30 20 BHED C=CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C 309812400 UOIZIMMEZSLZFQ-DDTOSNHZSA-N 235.758 3.813 30 20 BHED C[C@H]1CCC[C@H](Nc2cccc(CC#N)c2)C1 313427933 NQFZUPJLRVNTRI-JSGCOSHPSA-N 228.339 3.743 30 20 BHED C=CCN(Cc1ccccc1)Cc1occc1C 351592733 AWOXXUGXFSCPLT-UHFFFAOYSA-N 241.334 3.776 30 20 BHED C=C(Cl)CNCc1cccc(SCC)c1 380311255 HEXCRPOMCHBPSO-UHFFFAOYSA-N 241.787 3.641 30 20 BHED C=CCCCCCCNCc1ccncc1C 384888348 XFJWXUKNPOJAAS-UHFFFAOYSA-N 232.371 3.616 30 20 BHED C[C@H](CC(C)(C)C)Nc1ccc(CC#N)cc1 384981743 UNEXTZOXIHKBJB-GFCCVEGCSA-N 230.355 3.989 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(F)c(F)c1 393759501 VMCNGKWZPGKGMP-CMPLNLGQSA-N 239.309 3.970 30 20 BHED CCN(CC#N)[C@@H](C)c1ccc2ccccc2c1 411216632 UYSCNBARUJUXSD-ZDUSSCGKSA-N 238.334 3.746 30 20 BHED Clc1ccc(C#CCN2CCCCCC2)cc1 426378439 GODNIKDQVYZBKG-UHFFFAOYSA-N 247.769 3.568 30 20 BHED C=C(C)CNC(=O)[C@@H](CC)CC1CCCCC1 428121504 XLXQABLEUUASMB-AWEZNQCLSA-N 237.387 3.675 30 20 BHED C=CCN(CCC#N)[C@@H](C)c1cccc(Cl)c1 428843808 WQTWQXTXEXOQRP-LBPRGKRZSA-N 248.757 3.803 30 20 BHED C=CCCCCCN(C)C(=O)C1=C(C)CCC1 437264828 ZQSRDRKAGSCFJF-UHFFFAOYSA-N 235.371 3.692 30 20 BHED N#C[C@H]1CC[C@@H](Nc2ccc(F)c(C3CC3)c2)C1 442863944 FEFBUFVAMAIFNX-CMPLNLGQSA-N 244.313 3.807 30 20 BHED C=CC[C@H]1N(Cc2cc(C)on2)CCCC1(C)C 444784685 OMPWGHJUZBZQEL-CQSZACIVSA-N 248.370 3.550 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H](C)CCC(C)(C)C 468000356 NJVDPGNYNVRWOS-SWLSCSKDSA-N 239.403 3.920 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CCC[C@H](CC)C2)CC1 476089745 IGLJMGPITHSTIP-UONOGXRCSA-N 249.398 3.818 30 20 BHED C=CC[C@@H](C)N[C@H](C)C(C)(C)c1ccccc1 537969828 UCCVJBWILGUJSS-ZIAGYGMSSA-N 231.383 3.907 30 20 BHED C=C(CC)CN(C)[C@H](C)c1ccc(F)cc1 537992769 BSSCJTXBNJZNBS-GFCCVEGCSA-N 221.319 3.785 30 20 BHED CCCCC[C@H]1CCCN1c1ccnc(C#N)c1 553482637 IXGLTYPPPMDECR-AWEZNQCLSA-N 243.354 3.502 30 20 BHED C=CCN(CCC#N)Cc1cccc(C(C)C)c1 595500293 DNNCJRBLXQFZKF-UHFFFAOYSA-N 242.366 3.712 30 20 BHED Cc1cc(C)cc([C@@H](C)NC[C@@H](C)CCC#N)c1 602540195 XDJKKJMIFXCJEZ-SWLSCSKDSA-N 244.382 3.894 30 20 BHED C[C@@H](NC1CC2(CCC2)C1)c1cccc(C#N)c1 610946365 GVAQUVCDKSAMSC-GFCCVEGCSA-N 240.350 3.542 30 20 BHED C=CCC(C)(C)c1noc(/C=C\c2ccco2)n1 645621971 LWXSSNXDUPZEMU-FPLPWBNLSA-N 244.294 3.687 30 20 BHED Cc1ccccc1C(=NOCC(C)C)C1CC1 749636821 SKPRZXSPVKZYDF-UHFFFAOYSA-N 231.339 3.782 30 20 BHED CCCCCC=NNc1cccc(OC)c1 755608560 MROYHTOTVGQTKW-UHFFFAOYSA-N 220.316 3.673 30 20 BHED CC[C@@H](C#N)OC(=O)c1ccc([C@@H](C)CC)cc1 756303292 ZMFVDCFSQNBSSQ-FZMZJTMJSA-N 245.322 3.659 30 20 BHED C=CCCCCCN(C)C/C(Cl)=C\Cl 763559079 AMENCENBUBIRMQ-PKNBQFBNSA-N 236.186 3.984 30 20 BHED C#CCCCN(C)Cc1csc2ccccc12 766895412 KUXJZHSWKNEDTO-UHFFFAOYSA-N 243.375 3.747 30 20 BHED CC(C)CNN=C1C[C@@H](c2ccccc2)C1(C)C 771565992 CBSNTMXMYPSUQO-AWEZNQCLSA-N 244.382 3.802 30 20 BHED CON=CCCc1ccc(-c2ccccc2)cc1 794891425 QCWJIYSGHNQIDH-UHFFFAOYSA-N 239.318 3.918 30 20 BHED C#C[C@H](CC)N[C@H](C)[C@H](C)c1ccc(Cl)cc1 809686340 MIHJQYBEHPAVKQ-YWPYICTPSA-N 249.785 3.833 30 20 BHED Clc1ccc2c(c1)CCC2=NOC1CCC1 812237152 MKPLQRLPFKJQTJ-UHFFFAOYSA-N 235.714 3.559 30 20 BHED CC[C@@H]1C[C@@H](C)CCC1=NOCCOC(C)C 812240178 JMVPZXKYNCCVLE-QWHCGFSZSA-N 241.375 3.630 30 20 BHED COCCCON=C1CCCC12CCCCC2 834980173 TYIKCUQYKSKKAM-UHFFFAOYSA-N 239.359 3.530 30 20 BHED CC(=NOC/C=C\Cl)c1csc(C)c1 834980331 WROHFEYIIPKZOD-JAIDPGIQSA-N 229.732 3.550 30 20 BHED C=C[C@H](C)ON=C1CCCC12CCCC2 844621340 YNNZSUVNLZJOOR-NSHDSACASA-N 207.317 3.678 30 20 BHED CCCCCCCCNC(=N)NCCC(C)C 849054587 GRDAHBOTGPZCHM-UHFFFAOYSA-N 241.423 3.507 30 20 BHED C=CC[C@@H]1CCCCC1=NN[C@H](C)C(F)(F)F 853353905 OVNHBFWHEWCPKO-NXEZZACHSA-N 248.292 3.649 30 20 BHED C=CC(C)(C)CC(=O)N1CCC[C@H](CCC)C1 879141734 AKFRBXJTBXEGSU-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C=CCN(C(=O)C[C@H](C)CC(C)(C)C)C(C)C 917659055 MOJNBYITUOZSRZ-ZDUSSCGKSA-N 239.403 3.872 30 20 BHED C[C@H](CN(C)[C@H]1CC[C@@H](C#N)C1)C1CCCCC1 1196818125 GMWXYQOEUXSVTK-FMKPAKJESA-N 248.414 3.827 30 20 BHED C=C(C)CSC1=Nc2ccccc2C1 118607008 GODUVPVSOZDIDO-UHFFFAOYSA-N 203.310 3.582 30 20 BHED CCN(Cc1ccc(C#N)s1)C1CCCCC1 156953250 MBAAKITURAOAGU-UHFFFAOYSA-N 248.395 3.774 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(CC)cc1 168051799 UENGGUHRZCHCJL-CYBMUJFWSA-N 217.356 3.866 30 20 BHED C[C@@H]1CCC[C@H](CNCc2ccc(C#N)s2)C1 176954558 TYLHIMIFIMFLEG-NEPJUHHUSA-N 248.395 3.536 30 20 BHED C[C@@H](SCCCC#N)c1cccc(C#N)c1 191024911 JVRGPBCDHQPCPE-LLVKDONJSA-N 230.336 3.656 30 20 BHED Cc1cccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c1C 274594147 GARRVQQRUQPECS-RRFJBIMHSA-N 242.366 3.646 30 20 BHED CSc1ccc(CSCCC#N)cc1 279939951 MCYZLCHEPZHRJN-UHFFFAOYSA-N 223.366 3.555 30 20 BHED C[C@H]1C[C@@H](c2ccccc2)N(CCCCC#N)C1 285634002 KXYSFUTXRNDRNM-HOCLYGCPSA-N 242.366 3.763 30 20 BHED CCCN(Cc1ccccc1)[C@H](C)CCC#N 297783218 GUODATCJURIONN-CQSZACIVSA-N 230.355 3.591 30 20 BHED C=C(CC)CNC1(c2ccccc2)CCC1 309750380 GOPFGUNQMSEGLP-UHFFFAOYSA-N 215.340 3.622 30 20 BHED C=CCCC1(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)CC1 356498244 PSARQILIJWSEES-ZIAGYGMSSA-N 249.398 3.627 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 356806918 MLKGEACOWSEJJG-MELADBBJSA-N 249.398 3.674 30 20 BHED C#C[C@@H](NCc1cc(C)sc1C)C(C)(C)C 390469908 IVLMNBMNMDBJGR-CYBMUJFWSA-N 235.396 3.502 30 20 BHED C=CC(C)(C)CNC(=O)Nc1cccc(C)c1C 454139958 HMAIQJCPGQHIDL-UHFFFAOYSA-N 246.354 3.637 30 20 BHED N#Cc1ccc(-c2nc3cc(F)ccc3s2)o1 463939387 WVYSHSAIOZNPCC-UHFFFAOYSA-N 244.250 3.567 30 20 BHED C=CCN(CC1CCCCC1)C(=O)[C@@H](C)CC 482764603 TYLMSUREJANLAG-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED CCCN(CC#Cc1ccc(F)cc1)CC(C)C 533462074 PUBUPLFZVKUXAD-UHFFFAOYSA-N 247.357 3.545 30 20 BHED C=CCOCCSc1cccc(Cl)c1 558825520 LFYMICBCZZSWQI-UHFFFAOYSA-N 228.744 3.635 30 20 BHED CCCC[C@H](C)[C@@H](C)NCc1cccc(C#N)c1 565561253 MITCETPGOHFPGO-UONOGXRCSA-N 244.382 3.863 30 20 BHED CC[C@H](C#N)Nc1ccc(Cl)cc1SC 594660329 KUULBIUIGPYRLZ-SECBINFHSA-N 240.759 3.776 30 20 BHED C=CC[C@@H](CC)Nc1nccc2c(N)cccc12 663874789 UXSBXWWSRIYBAI-LLVKDONJSA-N 241.338 3.584 30 20 BHED CON=C(C)c1ccc(SC(C)C)cc1 728425458 HCXOSJCPQNAHLI-UHFFFAOYSA-N 223.341 3.558 30 20 BHED CCCCC(COC)=NNc1cc(C)cc(C)c1 737423119 PDQQTGTXDAPKAQ-UHFFFAOYSA-N 248.370 3.908 30 20 BHED C=C(Cl)CN1C[C@H](c2ccccc2C)C[C@H]1C 738876576 KSJALVAOHSINNV-ZIAGYGMSSA-N 249.785 3.925 30 20 BHED Cc1ccc(C)c(NN=Cc2occc2C)c1 743430259 HMIGRIMBLWRPQD-UHFFFAOYSA-N 228.295 3.651 30 20 BHED C=CCCCOC(=O)[C@H](c1ccccc1)C(C)C 745551497 KQIIIRCQUMFXML-HNNXBMFYSA-N 246.350 3.936 30 20 BHED CC(=NOCC(F)F)c1ccc2ccccc2c1 758903679 JMUGBGJQQJCRGS-UHFFFAOYSA-N 249.260 3.846 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cc2ccccc2[nH]1 775632327 LUHZQWJYCUPOGV-RYUDHWBXSA-N 228.339 3.783 30 20 BHED C[C@@H]1CCCC[C@H]1C=NNCc1ccccc1 783813452 LRWYHTOCRQVTQL-HIFRSBDPSA-N 230.355 3.588 30 20 BHED C[C@H]1CC[C@H](C=NNCCCc2ccccc2)C1 800812920 NRQVFESTADMUBZ-HOCLYGCPSA-N 244.382 3.631 30 20 BHED CC(C)[C@H]1CCCCC1=NOC/C=C/Cl 811670336 PUOVVYZQMJMTRU-GIUUXREASA-N 229.751 3.958 30 20 BHED CC[C@H](C)C(C)=NOCc1ccccc1 839418157 GZQDHCOBUMDUDZ-NSHDSACASA-N 205.301 3.625 30 20 BHED C=C[C@@H](C)ON=C1CC[C@@H](c2ccccc2)C1 844621111 UKBPVXVOGMTFII-TZMCWYRMSA-N 229.323 3.901 30 20 BHED C=C(C)CON=C[C@@H](C)c1ccc(C)cc1 863123522 HXUJIJRFFUVTCT-CYBMUJFWSA-N 217.312 3.677 30 20 BHED Cc1ccc(NN=Cc2ccc(Cl)o2)cc1 864536469 GBUMNJHYSGBYEP-UHFFFAOYSA-N 234.686 3.687 30 20 BHED C=CC[C@@H]1N(Cc2ocnc2C)CCCC1(C)C 894574033 LHZADOZYRWNZQN-AWEZNQCLSA-N 248.370 3.550 30 20 BHED CC[C@H](C)C(C)=NNc1ccc(F)cc1F 916248106 LOZTWGXPSVCTJV-QMMMGPOBSA-N 226.270 3.799 30 20 BHED CC(=NNc1ccc(F)cc1)c1cc(C)oc1C 916268158 NCMPZTJRGMEZOJ-UHFFFAOYSA-N 246.285 3.872 30 20 BHED CC[C@@H](NCCCCC1(C#N)CCC1)C1CC1 931021800 JFTHKSCDOFTKBA-CQSZACIVSA-N 234.387 3.629 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1ncccc1C(C)C 935052929 SLDWBMOUNGYYRF-LBPRGKRZSA-N 246.354 3.746 30 20 BHED CC(C)(C)ON=Cc1c(F)cccc1Cl 1323133386 VOPWOTQXCWHKCQ-UHFFFAOYSA-N 229.682 3.628 30 20 BHED C[C@@H]1CCCC[C@@H]1C=NNCc1ccc(F)cc1 1323706196 RHBLTVWGIBFFJG-TZMCWYRMSA-N 248.345 3.727 30 20 BHED CCC(CC)c1noc(-c2csc(C#N)c2)n1 1328091648 QTDHJFSILYZSMH-UHFFFAOYSA-N 247.323 3.573 30 20 BHED C=C(Cl)CN1CCCc2ccc(F)c(C)c21 1646241206 VRKPAEOLCKZDAB-UHFFFAOYSA-N 239.721 3.639 30 20 BHED C[C@H](CSc1cccnc1C#N)C(C)(C)C 1652837930 DSDSESYRWPVYSH-SNVBAGLBSA-N 234.368 3.728 30 20 BHED CC1(C)CCC[C@H](CN[C@@H]2CCC[C@@H](C#N)C2)C1 1659465799 RMWDVEQFCPWGNZ-QLFBSQMISA-N 248.414 3.875 30 20 BHED C=CCN[C@H](CC(C)(C)C)c1ccccc1 37185078 BSZKEHNPOHMRDH-CQSZACIVSA-N 217.356 3.940 30 20 BHED C[C@H](SCCCC#N)c1ccccc1 58263088 CQYAHYPIFGDHNV-NSHDSACASA-N 205.326 3.785 30 20 BHED CC(C)N(Cc1ccccc1C#N)C1CCCC1 68449172 QMZJYGFNBSNVOY-UHFFFAOYSA-N 242.366 3.711 30 20 BHED C=CCCCN[C@@H](C)c1ccc(Cl)cc1 70591997 CHGZUIIBXCBHMX-NSHDSACASA-N 223.747 3.957 30 20 BHED CCc1ccc([C@H](C)NCCC(C)(C)C#N)cc1 87591405 HSNPSKZXDQOQEX-ZDUSSCGKSA-N 244.382 3.839 30 20 BHED C=C(C)CN[C@H](CC)c1cccc(Cl)c1 96034162 RUJZGFLGGBNTON-CYBMUJFWSA-N 223.747 3.957 30 20 BHED C=CC[C@H](C)NC(=O)Nc1ccccc1C(C)C 116996611 JACXVYLZUBAKJQ-LBPRGKRZSA-N 246.354 3.896 30 20 BHED C=C[C@@H](C)Nc1ccnc2cc(Cl)ccc12 130655614 PZGCLZXEXGHYQS-SECBINFHSA-N 232.714 3.875 30 20 BHED C=CCN(Cc1scnc1C)c1ccccc1 191972045 WYOITDQFERYLTI-UHFFFAOYSA-N 244.363 3.644 30 20 BHED C#C[C@H](CC)NC1CC(c2ccc(Cl)cc2)C1 229896142 LRUROWBNTHRFJT-HNFVBEJKSA-N 247.769 3.587 30 20 BHED C=C(Cl)CN[C@H](C)c1csc(Cl)c1 230410785 KDTMMMGWWMNTRW-SSDOTTSWSA-N 236.167 3.805 30 20 BHED N#CCCCCN1CCCC[C@@H]1c1ccccc1 273829149 HGPYOVIZXSSIEF-MRXNPFEDSA-N 242.366 3.907 30 20 BHED CCc1ccc(Nc2ncccc2C#N)cc1C 301720202 VZVBJCFUGXYGNH-UHFFFAOYSA-N 237.306 3.568 30 20 BHED C=CCSCc1ccccc1SC 336651085 JDBXCHWWNHZUDF-UHFFFAOYSA-N 210.367 3.828 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1cc(F)cc(F)c1 393743111 GZBGMSHBXWGLJT-YGRLFVJLSA-N 239.309 3.970 30 20 BHED C=C(C)CN(Cc1cccs1)C(C)C 409444270 CYHBRNCBOYROGA-UHFFFAOYSA-N 209.358 3.535 30 20 BHED C[C@H]1CCCCN1CCC1(C#N)CCCCC1 411158361 SKNFGYCHRCYUFK-AWEZNQCLSA-N 234.387 3.725 30 20 BHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](CC)CCCC 436311894 YHSQEHHADPMFBI-ILXRZTDVSA-N 239.403 3.526 30 20 BHED C=CCC1(C(=O)N2CC(C)(CC)C2)CCCCC1 451893460 QOBCDUBSGJAQEE-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CCCCCNC(=O)C1CCC(C)(C)CC1 471671474 NMWNGHMWXLXLBT-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCC1(C(=O)N2CC[C@@H](C(C)(C)C)C2)CCC1 480561626 GWHDCIGMSXPDRL-CYBMUJFWSA-N 249.398 3.627 30 20 BHED C=C[C@@H]1CCCCN1Cc1ccc(OCC)cc1 489501648 VBFAZAGROCDANU-OAHLLOKOSA-N 245.366 3.626 30 20 BHED CCC[C@H](CC)NC1(c2cccc(C#N)c2)CC1 560270201 KJLBAGMAANRCPD-HNNXBMFYSA-N 242.366 3.716 30 20 BHED CC(C)(C#N)CCSc1cccc(F)c1C#N 576887964 YBPISANFOYNDGM-UHFFFAOYSA-N 248.326 3.729 30 20 BHED C=CCCc1nc(-c2ccc(Cl)cc2)no1 598491856 IFOHXNLXXPGCRX-UHFFFAOYSA-N 234.686 3.509 30 20 BHED C[C@H](CCC#N)CN(C)[C@H](C)c1ccc(F)cc1 602431539 SRHXXMHNNUXRGQ-CHWSQXEVSA-N 248.345 3.758 30 20 BHED C=CCCCOc1ccc(OCC2CC2)cc1 607148739 RYQMIGUQMZMPLB-UHFFFAOYSA-N 232.323 3.820 30 20 BHED C=C(CC)CNCc1cc2c(C)cccc2[nH]1 657483854 DSQYXOHQUIBXEY-UHFFFAOYSA-N 228.339 3.532 30 20 BHED C=CCCCOC(=O)/C=C(/C)c1ccccc1 735530598 MVBZRBXKENLPJL-SEYXRHQNSA-N 230.307 3.599 30 20 BHED C#CCCCCCC(=O)N1CCC[C@@H]1C(C)(C)C 779917894 TVWGDLDDUFTTQV-CQSZACIVSA-N 249.398 3.607 30 20 BHED CC(=NOCC1CC1)c1cc(C)c(C)cc1C 814245373 YOVDYCCRYORZQM-UHFFFAOYSA-N 231.339 3.762 30 20 BHED CC(=NOCCC1CC1)[C@@H](C)c1ccccc1 814246895 HHFNGJHGCDLZSN-GFCCVEGCSA-N 231.339 3.983 30 20 BHED CCC(CC)CNN=C1CCC[C@@H]1C(C)(C)C#N 814906547 ZLWZGSNGFJJKRP-ZDUSSCGKSA-N 249.402 3.718 30 20 BHED FC(F)(F)CCON=C1CC[C@@H]1C1CCC1 814910113 QRUKAPZFQFWWMM-SECBINFHSA-N 235.249 3.522 30 20 BHED FC(F)(F)CCNN=C1CCCC12CCCC2 814920407 NPRXRQCOVPQGTJ-UHFFFAOYSA-N 248.292 3.629 30 20 BHED C=CCCCSCc1ccc(C(=O)O)s1 825671271 JZNKHRKRNOAENZ-UHFFFAOYSA-N 242.365 3.646 30 20 BHED C=CCCCCNc1ccc(F)c([C@H](C)O)c1 834602258 NDOCREPDZHSRMA-NSHDSACASA-N 237.318 3.647 30 20 BHED C[C@@H]1CCCC(=NOCc2ccccc2)C1 839420004 ZTPHUTOXQRSQID-GFCCVEGCSA-N 217.312 3.769 30 20 BHED Cc1cccc(NN=C[C@@H]2CCCC[C@H]2C)n1 863160304 YORQPHIENWHIDF-YPMHNXCESA-N 231.343 3.614 30 20 BHED C=C1CCC(C(=O)N(CC)C2CCCC2)CC1 887981090 JYBDCJGGTPXGIW-UHFFFAOYSA-N 235.371 3.524 30 20 BHED C=CCC[C@H](CC)Nc1ccc(OCC#N)cc1 1321154247 ONFXRZDWVIZEBI-ZDUSSCGKSA-N 244.338 3.746 30 20 BHED C=CCCCc1nnc(-c2cccc(Cl)c2)o1 1349934480 HZSYGTWLPFWOSX-UHFFFAOYSA-N 248.713 3.899 30 20 BHED C=C(CC(C)C)C(=O)Nc1cc(C)c(O)c(C)c1 1548687552 PTVSEVIMDUABEG-UHFFFAOYSA-N 247.338 3.550 30 20 BHED CC[C@@H]1C[C@H]1CSc1ccc(C#N)cc1 1613488682 RBEDZKKAODFVDP-NEPJUHHUSA-N 217.337 3.696 30 20 BHED CN(Cc1cccc(C#N)c1)CC1CCCCC1 42238499 ZLOJWEAYIBCVMB-UHFFFAOYSA-N 242.366 3.570 30 20 BHED C=CCCCN[C@H](C)c1cccc(C)c1 88162233 BRIMFYPHRHGHQC-CYBMUJFWSA-N 203.329 3.612 30 20 BHED N#CCC1(COc2ccc(F)c(Cl)c2)CC1 88272191 QEUWJMUEVADVKB-UHFFFAOYSA-N 239.677 3.552 30 20 BHED CCCCCCCNC(=O)[C@H](C)CCC 104596964 UVFWJYQGDKIFCL-GFCCVEGCSA-N 213.365 3.509 30 20 BHED CCc1ccc([C@H](C)NCC(C)(C)C#N)s1 129220622 JXQVBIWEZQZYAK-JTQLQIEISA-N 236.384 3.511 30 20 BHED CC[C@H]1CCCC[C@H]1Nc1nccc(C)c1C#N 135067833 KRJLCKFPXKYIGG-GXTWGEPZSA-N 243.354 3.642 30 20 BHED C=CC[C@H](C)N[C@@H](CC)c1ccc(N(C)C)cc1 180950518 XKLHOAXFMIYPJJ-BBRMVZONSA-N 246.398 3.758 30 20 BHED C[C@H](CCC#N)Sc1ncccc1Cl 188285879 FCAGUVWRBVPNDN-MRVPVSSYSA-N 226.732 3.519 30 20 BHED CS[C@H]1CCC[C@H](Nc2cccc(C#N)c2)C1 235232349 ZBGUQFMPSOQPAP-KBPBESRZSA-N 246.379 3.644 30 20 BHED C[C@@H]1CCCN(CCCCC(C)(C)C#N)CC1 235287783 XJSSSPHLSLSOKA-CQSZACIVSA-N 236.403 3.828 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@H]1C(C)(C)C 268200307 OLHGCJAZYUVKDG-AWEZNQCLSA-N 249.398 3.792 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccc(F)cc1O 281463571 DYFHWNBYNUCMRV-JQWIXIFHSA-N 237.318 3.537 30 20 BHED Cc1ccccc1Oc1ncc(C#N)cc1Cl 301292807 QXRASIKEXODPIS-UHFFFAOYSA-N 244.681 3.707 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccccc1SC 336731228 KPCCDJUJWNCZQH-QWRGUYRKSA-N 221.369 3.634 30 20 BHED C=CCCN1CCCSc2ccccc21 338544994 CDRBJAXBBCMNSB-UHFFFAOYSA-N 219.353 3.565 30 20 BHED C=CC[C@H](CC)NC(=O)Nc1c(C)cccc1C 341470923 URVGSAOYWXPXMA-ZDUSSCGKSA-N 246.354 3.780 30 20 BHED CC#CCCCc1nc(C2CCC(C)CC2)no1 346243672 AHNOYKVBJFIBSO-UHFFFAOYSA-N 246.354 3.709 30 20 BHED C[C@H](SCCC#N)c1ccccc1F 352816786 GTGZNYYMMVXNOL-VIFPVBQESA-N 209.289 3.534 30 20 BHED C[C@H]1C[C@@H](C)N(CCC2(C#N)CCCCC2)C1 411282912 JWPACTFBMGJRFX-UONOGXRCSA-N 234.387 3.581 30 20 BHED C=CCC[C@@H](C)N[C@@H]1C[C@H]1c1ccccc1F 459654554 GIRMWCGBDLBFHH-OSAQELSMSA-N 233.330 3.626 30 20 BHED CC#CCCN1CC[C@H](c2ccccc2)[C@H](C)C1 462315262 MFEDOBLCMSKNSA-WBVHZDCISA-N 241.378 3.525 30 20 BHED C=C[C@@](C)(CC)C(=O)NCC(CC)(CC)CC 467971176 STHZLLIHNLABGW-AWEZNQCLSA-N 239.403 3.921 30 20 BHED C=C[C@H]1CCCCN1C(=O)c1ccccc1Cl 488816269 CEBPNDYVKRFYPD-NSHDSACASA-N 249.741 3.521 30 20 BHED C=CCN(CCC)[C@@H]1CCc2ccccc21 521819327 YVKJMQIBYMXFIQ-OAHLLOKOSA-N 215.340 3.572 30 20 BHED C=CCCCCN(C)[C@@H](C)c1cccc(O)c1 574999205 FFRIERPXTRSMAO-ZDUSSCGKSA-N 233.355 3.741 30 20 BHED C=CCC1(c2nc(CC3CCCC3)no2)CCC1 576353942 PFIFCWXXMZTUSD-UHFFFAOYSA-N 246.354 3.800 30 20 BHED C=CCCCN1C[C@H](C)c2ccccc21 605149908 NXKYEPPSVXZFEP-LBPRGKRZSA-N 201.313 3.576 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1cnc(C)s1 631706580 IJTWCLBIRZAUEO-GARJFASQSA-N 238.400 3.703 30 20 BHED C=C(CN[C@H](C)c1ccoc1)c1ccccc1 675782212 OAVJISIWMSBHMF-CYBMUJFWSA-N 227.307 3.644 30 20 BHED C=C(C)CCOC(=O)/C=C\C1CCCCC1 744299567 HLTCUKSLHUFCEI-HJWRWDBZSA-N 222.328 3.632 30 20 BHED C[C@H]1Cc2ccccc2C1=NNc1ccccc1 751127284 KNWXFJPSPLICQC-LBPRGKRZSA-N 236.318 3.695 30 20 BHED CON=Cc1sc2ccccc2c1Cl 767490566 MZBCFWOGKVHCNL-UHFFFAOYSA-N 225.700 3.535 30 20 BHED CC(=NOCc1ccccc1)c1occc1C 767768296 WUYZCCNCPPHSFJ-UHFFFAOYSA-N 229.279 3.529 30 20 BHED C=CCN(Cc1cc(F)c(F)cc1F)C(C)C 768550269 JDDYRRWOTHMDGH-UHFFFAOYSA-N 243.272 3.500 30 20 BHED C=CCCC(=O)Nc1ccc2sc(C)nc2c1 781202240 MQBKNTMIASVRFZ-UHFFFAOYSA-N 246.335 3.509 30 20 BHED CC(C)CC=NNc1ccc(Cl)cc1 793005220 LUDRRQKGBQYDLV-UHFFFAOYSA-N 210.708 3.784 30 20 BHED CCC1CCC(=NNc2ncccc2F)CC1 794981128 VJBDUENOATYRMH-UHFFFAOYSA-N 235.306 3.589 30 20 BHED FC(F)CON=C1CCCCC12CCCC2 814903804 BCVFRKLVFDLNJT-UHFFFAOYSA-N 231.286 3.759 30 20 BHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CC[C@@H]1C 840888036 VHUJHSAIMUYUTG-NUEKZKHPSA-N 229.367 3.562 30 20 BHED C=C[C@H](C)ON=C[C@@H](CC)c1ccccc1 844619518 ALIXGCGMEBNBLO-QWHCGFSZSA-N 217.312 3.757 30 20 BHED C=CC(C)(C)CC(=O)Nc1cscc1Cl 881464826 JTEJSUZQDBEXCN-UHFFFAOYSA-N 243.759 3.942 30 20 BHED CC(C)C(C(C)C)[C@@H](C)NCCCCC#N 924940865 BEKJUNGHFSEGFG-CYBMUJFWSA-N 224.392 3.587 30 20 BHED C=CCSc1cc2ccccc2cc1C(=O)O 1588879929 ZALQVRKYGZBPSO-UHFFFAOYSA-N 244.315 3.816 30 20 BHED COc1cccc([C@H](C)S[C@H](C#N)C2CC2)c1 1613623570 WMRZHGOTINGCMX-IINYFYTJSA-N 247.363 3.792 30 20 BHED C[C@@H](CSc1cccnc1C#N)C(C)(C)C 1652837929 DSDSESYRWPVYSH-JTQLQIEISA-N 234.368 3.728 30 20 BHED C=CCN[C@@H](C)c1cccc2ccccc12 19875795 VOHVDFZCBGKYSV-LBPRGKRZSA-N 211.308 3.676 30 20 BHED C[C@H](N[C@@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 37510549 JISFRFXNPKLZDW-DVOMOZLQSA-N 242.366 3.788 30 20 BHED C[C@@H](CC#N)N[C@H](C)c1ccc2ccccc2c1 68607682 UBQLWSSVHGSNHF-QWHCGFSZSA-N 238.334 3.793 30 20 BHED CC(C)(C#N)CCNc1cc(Cl)ccc1F 83638084 ILFIYIPSKKXIQC-UHFFFAOYSA-N 240.709 3.831 30 20 BHED CCC(CC)(CC)NCc1cc(C#N)cs1 86500344 IHBLWBPXJMPYJU-UHFFFAOYSA-N 236.384 3.678 30 20 BHED C[C@H]1CCc2ccccc2N1CCC(C)(C)C#N 87595031 VNHZGVAGIQUUTG-ZDUSSCGKSA-N 242.366 3.768 30 20 BHED N#CCc1cc(Cl)c2ccccc2c1 91301961 ZWICQGTYLYPEDA-UHFFFAOYSA-N 201.656 3.559 30 20 BHED CC1(C)CCC[C@@H]1Nc1cccc(F)c1C#N 94304150 GQKQFXBOLPTDGL-ZDUSSCGKSA-N 232.302 3.688 30 20 BHED CC[C@@H](CC(=O)Nc1ccccc1C#N)C(C)C 105362901 NQVUEOHTIFVUBG-LBPRGKRZSA-N 244.338 3.569 30 20 BHED CC[C@H](CC(=O)Nc1ccccc1C#N)C(C)C 105362903 NQVUEOHTIFVUBG-GFCCVEGCSA-N 244.338 3.569 30 20 BHED C=CCCC(=O)N1CCC[C@@H](C(C)(C)C)CC1 116090562 JEVCDROQZRKBDF-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C#C[C@H](C)NCc1ccc(-c2ccccc2)s1 123053384 BRVUSPUFMJSJNZ-LBPRGKRZSA-N 241.359 3.526 30 20 BHED C=CCCN[C@H]1CCCC[C@@H]1C(C)(C)C 125395314 DECSCWYUNBPBAW-STQMWFEESA-N 209.377 3.757 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc(OC)cc1C 188036189 IYBLAINDBHVCSX-OAHLLOKOSA-N 247.338 3.544 30 20 BHED CC(C)C(CN[C@@H]1CCC[C@@H](C#N)C1)C(C)C 193341163 RASABDZYLQSQDX-ZIAGYGMSSA-N 236.403 3.587 30 20 BHED CC(C)[C@@H]1CCC[C@H](N[C@H]2CCC[C@H](C#N)C2)C1 249053733 YBZKOKLGILDRLB-FZKCQIBNSA-N 248.414 3.873 30 20 BHED C=CC[C@H](CC)N[C@H](C)CCc1ccco1 281618436 NMUISEVXIMODFU-OLZOCXBDSA-N 221.344 3.545 30 20 BHED C=C(Cl)CSc1ccccc1F 301603559 BPVUAXDPFICVCG-UHFFFAOYSA-N 202.681 3.670 30 20 BHED CC(C)c1ccc(SCCO[C@H](C)C#N)cc1 305973181 DMRKNPGWRQEGHN-GFCCVEGCSA-N 249.379 3.831 30 20 BHED C=CC[C@H](CC)N[C@H]1CS[C@@H](C(C)(C)C)C1 309413963 CGDBIRAJNZJTSN-YNEHKIRRSA-N 241.444 3.851 30 20 BHED CCCC[C@H](C)N(C)CCCC(C)(C)C#N 309428804 MBTGIVSOBNJZCX-ZDUSSCGKSA-N 224.392 3.827 30 20 BHED CC(C)=CCC[C@H](C)CCNCCCC#N 336754377 XADZKBDDXUWBIU-AWEZNQCLSA-N 222.376 3.652 30 20 BHED CC(C)C[C@H](NCC1(C#N)CC1)c1ccccc1 343568027 XULPZZXJMSNNBE-HNNXBMFYSA-N 242.366 3.667 30 20 BHED C=CC(C)(C)CNC1CCC2(CC1)CC2 449486425 SFJDFZLYLMDIAV-UHFFFAOYSA-N 207.361 3.511 30 20 BHED C=CC[C@H](C)[C@H](C)Nc1cccc(CC#N)c1 449704082 VGZCSJIUGXUDJU-STQMWFEESA-N 228.339 3.765 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 468934855 JEFYYXWJGJREGF-LZWOXQAQSA-N 249.398 3.674 30 20 BHED C=C(C)CN(CCCSC)Cc1ccccc1 470914653 COUYHAQLOKPKIN-UHFFFAOYSA-N 249.423 3.818 30 20 BHED C=CCCC1(C(=O)N2CCC[C@H](CCC)C2)CC1 476298382 GDQODGOPDOICEU-AWEZNQCLSA-N 249.398 3.772 30 20 BHED C=CCCCCNc1cccc(NC(=O)OC)c1 497205191 UNTLFRYELNHZKW-UHFFFAOYSA-N 248.326 3.633 30 20 BHED C=CCC(CC=C)C(=O)N(C)[C@H](C)C(C)(C)C 531823781 DLQRLVUQMIGPSJ-GFCCVEGCSA-N 237.387 3.648 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C 539073592 OJFZPGMZJGDNER-NEPJUHHUSA-N 248.326 3.518 30 20 BHED CC(C)CCC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 576601847 QFGQWIHHRHZCEX-HZPDHXFCSA-N 248.414 3.827 30 20 BHED C=CCCN(CCC(C)C)C1CCCC1 606897300 ILHVRDAEUHCEDZ-UHFFFAOYSA-N 209.377 3.853 30 20 BHED Cc1ccccc1[C@@H](C)N1CCC[C@@](C)(C#N)C1 612162103 ZGSICZMVXHAKFM-ZBFHGGJFSA-N 242.366 3.682 30 20 BHED C=CCCC(=O)N1CCC[C@H](C2CCCCC2)C1 620692220 ARJCOWYQVMTVRC-HNNXBMFYSA-N 249.398 3.772 30 20 BHED C=CC[C@@H](C)NC(=O)[C@H]1CC[C@H](C2CCC2)CC1 668855223 XFPNEQPQDVJXTN-BPLDGKMQSA-N 249.398 3.674 30 20 BHED C=C(C)COC(=O)[C@H](CC)CC1CCCC1 734052278 FTQOMJFONOZZON-CYBMUJFWSA-N 224.344 3.712 30 20 BHED CCc1ccc(C=NOCCC(F)(F)F)cc1 740872586 JAICYNCPJXVQKM-UHFFFAOYSA-N 245.244 3.552 30 20 BHED C[C@@H](NN=C[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 762420257 YZPDAISZBOIOEC-BFJAYTPKSA-N 242.366 3.759 30 20 BHED C[C@H]1CC(C)(C)CC1=NNc1ccc(C#N)cc1 766010831 OBAGMNCHRBQYJX-NSHDSACASA-N 241.338 3.782 30 20 BHED C#CCCCN[C@H](CCC)CCc1ccccc1 766223798 SZHDLEIPFRIISY-QGZVFWFLSA-N 243.394 3.791 30 20 BHED CC[C@H](CC(=O)OCCC(C)(C)C#N)C(C)C 776388535 WTADXZRHFSBFTN-GFCCVEGCSA-N 239.359 3.542 30 20 BHED C=CCCCCC[C@@H](C)Nc1cnn(C)c1C 793551545 ZNSKOEPUPJWCTI-GFCCVEGCSA-N 235.375 3.665 30 20 BHED C=CCCCCCCNC(=O)C1CC(C)(C)C1 805219403 JIPRMFIHCLXWCY-UHFFFAOYSA-N 237.387 3.675 30 20 BHED CC(=NOC1CCC1)c1ccc(C)cc1C 812236106 WBKKSEIYJKHVAJ-UHFFFAOYSA-N 217.312 3.597 30 20 BHED C=CCON=C1CCC[C@H]1c1ccc(F)cc1 835015287 HJBZGLMFXJFIAK-ZDUSSCGKSA-N 233.286 3.652 30 20 BHED CCCON=C1CCC(C(F)(F)F)CC1 842555655 YWTJUQCTNWXCRZ-UHFFFAOYSA-N 223.238 3.522 30 20 BHED CCC(CC)=NN[C@H](C)c1ccccc1 920385992 MNFIGTOMZGINTB-LLVKDONJSA-N 204.317 3.513 30 20 BHED CC1CCC(N(C)Cc2ccccc2C#N)CC1 42211412 QCTOXKIDXOHSEH-UHFFFAOYSA-N 242.366 3.569 30 20 BHED Cc1ccc(C)c(CNc2cccc(C#N)c2)c1 42222780 OSJWGQJJSAKPLN-UHFFFAOYSA-N 236.318 3.787 30 20 BHED CCc1ccc(CN(CC#N)C2CCCC2)s1 80215018 PMNCPJJLSZITCB-UHFFFAOYSA-N 248.395 3.579 30 20 BHED CC(C)(C#N)CCSc1ccc(F)cc1F 87324196 PDIOQXCGYIKPCI-UHFFFAOYSA-N 241.306 3.997 30 20 BHED C=C(C)CN(C)[C@@H](CC)c1ccc(F)cc1 195732453 NOESFEGYNHLUJV-AWEZNQCLSA-N 221.319 3.785 30 20 BHED C[C@H]1CC[C@@H](CNc2cccc(F)c2C#N)C1 230425955 OUWXIUPEKOQBDV-WDEREUQCSA-N 232.302 3.545 30 20 BHED C[C@H]1CCC[C@@H](Nc2nccc(C#N)c2Cl)C1 235659136 WPZZETPEBPQDRO-GXSJLCMTSA-N 249.745 3.597 30 20 BHED C=CCCC(=O)N(CC)c1ccccc1Cl 263669584 LYNDDAWICSFZQG-UHFFFAOYSA-N 237.730 3.659 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1ccc(C#N)cc1 310890245 UFHCTBMPCAKXAF-CYBMUJFWSA-N 242.366 3.811 30 20 BHED CC(C)(CCC#N)CN[C@@H](C1CC1)C(C)(C)C 324448302 WPKDLRCINNDCNS-ZDUSSCGKSA-N 236.403 3.731 30 20 BHED C=C(C)CCN[C@@H]1CCCC12CCCC2 386857592 JAWKCHGSUOHWHZ-CYBMUJFWSA-N 207.361 3.655 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccc2c(c1)CCO2 393777080 NUMORUOGCXYKPF-IUODEOHRSA-N 245.366 3.627 30 20 BHED C=CCCCCCn1ccc(-c2nccs2)n1 447408794 RNAYVJPGRUNJAM-UHFFFAOYSA-N 247.367 3.753 30 20 BHED C=CCCCC[C@@H](C)NCCC1CCOCC1 449145107 WBPRJVKYTBVMGL-CQSZACIVSA-N 239.403 3.528 30 20 BHED C=CCC[C@H](CCC)N[C@H](C)[C@@H](OC)C1CC1 449633231 TXPMZTOICMTYSR-VHDGCEQUSA-N 239.403 3.524 30 20 BHED C=CCC1(C(=O)N(C)CCC2CC2)CCCCC1 450190473 ZZMWGNWAMBSLSZ-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CCCCC[C@H](C)NCCc1ccc(C)cn1 453421258 LFWNDGNVIXKIIA-HNNXBMFYSA-N 246.398 3.657 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H](C)CCCC(C)C 467429715 ZZUGSSRFSFXBGM-DZGCQCFKSA-N 239.403 3.920 30 20 BHED CC[C@H](C)CN(CC)Cc1ccc(F)cc1C#N 482857812 NRYILKBGFIXPLQ-LBPRGKRZSA-N 248.345 3.565 30 20 BHED Cc1cccc(C)c1[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 578048909 XVDQKWIVKVBRAV-RRFJBIMHSA-N 242.366 3.646 30 20 BHED CC(=NNc1ccccn1)C1C(C)(C)C1(C)C 746557044 MDDPMCYFWLTFFY-UHFFFAOYSA-N 231.343 3.552 30 20 BHED CC(=NNc1cc(C)ccn1)C1CCCCC1 755906294 LJNUMIVGEXEVPB-UHFFFAOYSA-N 231.343 3.758 30 20 BHED C#CCCCCCc1nc([C@H](C)C(C)(C)C)no1 762150174 MCGTZWLRPQIYRS-LBPRGKRZSA-N 248.370 3.955 30 20 BHED C=CC[C@H](C)[C@H](C)Nc1cccc(OC)c1F 769987294 SMFVQTILBMHUKO-QWRGUYRKSA-N 237.318 3.847 30 20 BHED C#CCCN[C@@H](CC(C)(C)C)c1ccc(F)cc1 775137279 PLCJIGULKSKQLQ-HNNXBMFYSA-N 247.357 3.916 30 20 BHED COCC(=NNc1cccc(C)c1)C1CCCC1 780186999 SBJCDQAKXVDACW-UHFFFAOYSA-N 246.354 3.600 30 20 BHED Fc1cccc(NN=CC2CCCCCC2)n1 795006734 JZSIYTOEVNEOHS-UHFFFAOYSA-N 235.306 3.589 30 20 BHED CCC[C@@H](C=NOCCCOC)c1ccccc1 795053435 NHTGBSHCCDKZFC-HNNXBMFYSA-N 249.354 3.609 30 20 BHED CCC(=NNC1CC1)C12CC3CC(CC(C3)C1)C2 811647209 AQKSWXBLNHHDGG-UHFFFAOYSA-N 246.398 3.721 30 20 BHED Clc1ccc(NN=C2CC[C@H]2C2CCC2)cn1 814858721 FCSQSCSUPPMEES-NSHDSACASA-N 249.745 3.713 30 20 BHED CC(C)CCC=NNc1ncnc2ccsc12 814880287 YXMUTTDOUAMRJP-UHFFFAOYSA-N 248.355 3.525 30 20 BHED CC(CCCC(C)C)=NN[C@@H](C)c1ccncc1 819817062 UXDQUQDLZNFEQP-AWEZNQCLSA-N 247.386 3.934 30 20 BHED C=CCCCC(=O)OCC[C@]1(C)C[C@@]1(F)Cl 822060818 XFQKCBYRSKJCNF-NEPJUHHUSA-N 248.725 3.591 30 20 BHED C=CCON=C1CCC[C@@H](c2ncccc2C)C1 835013042 FNYPSGUAVLTVCX-CYBMUJFWSA-N 244.338 3.606 30 20 BHED CC[C@H](C)[C@H](C)C(=O)O[C@H](C)CC(C)(C)C#N 851207692 GBZLOEFDFLELBQ-TUAOUCFPSA-N 239.359 3.540 30 20 BHED CC(C)(C#N)CN[C@@H]1CC(C)(C)c2ccccc21 903100191 JSYGRBFMKBWQPI-CQSZACIVSA-N 242.366 3.548 30 20 BHED CCCCCCCOC(=O)CSC(C)C 918493728 FLIKZDULSDFYEE-UHFFFAOYSA-N 232.389 3.642 30 20 BHED C=C[C@@H](CC)CC(=O)N1CCC2(CCCCC2)C1 933551867 DFBXEXXDCPSPFC-AWEZNQCLSA-N 249.398 3.772 30 20 BHED C=C(C)CCC(=O)N([C@@H](C)CC)[C@@H](C)CC 1337474839 IUWGGUWHLLYMMB-STQMWFEESA-N 225.376 3.768 30 20 BHED C=C(CC)C(=O)N[C@@H](c1ccccc1)C1CCC1 1351152192 GSEHAMOOBXPABZ-HNNXBMFYSA-N 243.350 3.610 30 20 BHED C=C(Cl)CN1CCCc2cc(Cl)ccc21 1617457551 RVZULCNFOXCMJY-UHFFFAOYSA-N 242.149 3.845 30 20 BHED C=C(Cl)CN(Cc1ccc(C#N)cc1)C(C)C 58397012 QVBNRAGQOYUSSA-UHFFFAOYSA-N 248.757 3.521 30 20 BHED Cc1ccc(CNc2cccc(C#N)c2)cc1F 83368229 MLKBTHFHNFYJQS-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CC[C@H]1CCC[C@@H](Nc2nc(C)ccc2C#N)C1 85066011 KJOWAYNUWGCINP-GXTWGEPZSA-N 243.354 3.642 30 20 BHED CCN(CCCC(C)(C)C#N)C1CCCC1 87608478 ZSHYIJYUBMVJLC-UHFFFAOYSA-N 222.376 3.581 30 20 BHED CCC[C@@H]1CCCN(CC(C)(C)CCC#N)C1 93704832 HTIHVGYJSSJRHM-CQSZACIVSA-N 236.403 3.828 30 20 BHED C=CCC[C@H](C)NCc1ccc(Cl)cc1 96034264 WVYHKVOZMVQWJB-NSHDSACASA-N 223.747 3.784 30 20 BHED C[C@H]1CCC[C@@H](CNc2ccc(C#N)cc2)C1 108886756 LMDLUEJHLDRPLR-GXTWGEPZSA-N 228.339 3.796 30 20 BHED CC(C)(C#N)CN[C@@H]1CCCCc2ccccc21 122261168 NQCNCYZBYQTJHT-OAHLLOKOSA-N 242.366 3.593 30 20 BHED CC#CCCOc1cccc2ccccc12 133072306 VGOLXYAHJPKOFD-UHFFFAOYSA-N 210.276 3.632 30 20 BHED CC(C)(CCC#N)CNCCCC1CCCC1 174254217 WAJKQUFPRKOFEP-UHFFFAOYSA-N 236.403 3.876 30 20 BHED C=CCCC[C@@H](C)NC(=O)Nc1ccsc1 179679055 ADBLDPPLEFWCQL-SNVBAGLBSA-N 238.356 3.614 30 20 BHED C=CCCCCCn1ccc2ccsc2c1=O 195440519 NUKBZHZIIOZLHT-UHFFFAOYSA-N 247.363 3.809 30 20 BHED C[C@H]1CCCC[C@@H]1CNc1cc(F)cc(C#N)c1 227613766 WTYYBXVYHAFLIS-WCQYABFASA-N 246.329 3.936 30 20 BHED O=C(/C=C\c1ccccc1F)c1ccsc1 255455020 QQAVBDYSILBGCC-WAYWQWQTSA-N 232.279 3.783 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@H](CC)c1ccccc1 281146742 VRKLDMLUFAFPEA-HUUCEWRRSA-N 245.366 3.651 30 20 BHED C=CCCC(=O)Nc1cc(C)c(C)cc1Cl 296081987 OMDVXCGNPNYRRH-UHFFFAOYSA-N 237.730 3.862 30 20 BHED C=C(Cl)CS[C@H](C)c1cccnc1 379347431 AEJDUCSDQVXICL-SECBINFHSA-N 213.733 3.628 30 20 BHED C=CCC[C@H](C)NCc1ccc(Cl)cc1F 381037831 BPERUXDCLPCULG-JTQLQIEISA-N 241.737 3.923 30 20 BHED CCC(CC)CN(CCC#N)CC1CCCC1 409444868 ARLFNTXCCAGPAF-UHFFFAOYSA-N 236.403 3.828 30 20 BHED N#CCCN[C@@H](c1cccc(F)c1)C1CCCC1 411474337 LJOJDOZXQVCYFO-OAHLLOKOSA-N 246.329 3.560 30 20 BHED C=C[C@H](C)N[C@H](C)c1cc2ccc(C)cc2o1 426060823 SDOTWKBJNGWNIS-NWDGAFQWSA-N 229.323 3.966 30 20 BHED C=C[C@](C)(CC)C(=O)N1CC=C(C(C)(C)C)CC1 442943449 MFXGAMMADBSUBN-MRXNPFEDSA-N 249.398 3.794 30 20 BHED C=CCCCCCn1sc2ccccc2c1=O 447286212 IVLAIKKEGVXWDC-UHFFFAOYSA-N 247.363 3.809 30 20 BHED C=CCC[C@H](C)NCCc1ccc(C=C)cc1 462806116 VDXGLXRUGDVWOV-AWEZNQCLSA-N 229.367 3.816 30 20 BHED CC(C)CC[C@H](C)NCCc1cccc(C#N)c1 467434312 USFGEXQVCWIQLL-AWEZNQCLSA-N 244.382 3.515 30 20 BHED C=CCC1(C(=O)N2CCC2(C)C)CCCCC1 573070534 XKYFRMCLGPDJJL-UHFFFAOYSA-N 235.371 3.524 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@@H]1CCC(C)=C(C)C1 575804346 MOPXCGLSLQBDKL-HUUCEWRRSA-N 249.398 3.984 30 20 BHED C[C@H](NC1CCC(C)(C#N)CC1)c1ccsc1 590653593 XVEFHOKDDSZAGP-XGNXJENSSA-N 248.395 3.871 30 20 BHED Cc1cc(C#N)ccc1CSC1CCC1 590740077 XRIJCAJJCDMFFK-UHFFFAOYSA-N 217.337 3.652 30 20 BHED CC(C)=CCC[C@@H](C)CCNCC(C)(C)C#N 619509299 IKOSAWMNXUCBMF-CQSZACIVSA-N 236.403 3.898 30 20 BHED C=CCCC(=O)N[C@@H](C1CCCCC1)C1CCC1 648590768 IQLWDBXUHFRUKL-INIZCTEOSA-N 249.398 3.818 30 20 BHED C=CCCCC[C@H](C)NCCc1ccoc1 658200397 PBJKTPIRFJVUHK-ZDUSSCGKSA-N 221.344 3.547 30 20 BHED C=CCC1(NCC2=CCCC2)CCCC1 661850756 OCUKSGMNTKBAQW-UHFFFAOYSA-N 205.345 3.575 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1NCCCC(F)F 688711934 IYXLUOAUHCYAFI-NEPJUHHUSA-N 231.330 3.756 30 20 BHED C=CCCOC(=O)C[C@@H](C)CC(C)(C)C 729072606 QIDMVPWNVWCKSW-LLVKDONJSA-N 212.333 3.568 30 20 BHED C=CCCOC(=O)c1ccc(OCCCC)cc1 729073402 XMCFZCPHQUCOGO-UHFFFAOYSA-N 248.322 3.598 30 20 BHED Cc1cc(C=NOCc2ccccc2)c(C)s1 760239096 HJPLSAKCPRGGKV-UHFFFAOYSA-N 245.347 3.916 30 20 BHED C[C@H]1CC[C@@H](C=NNc2ccccc2)C1 800804040 QPQASHPOGUPBDH-NWDGAFQWSA-N 202.301 3.521 30 20 BHED C=C[C@@H](C)ON=C(C)c1cc(C)sc1C 844624699 NDRJQXVBPZWKDZ-MRVPVSSYSA-N 223.341 3.680 30 20 BHED C=CC(C)(C)CC(=O)N1CC(C2CCCCC2)C1 880137684 IUQSUMFVMRILIW-UHFFFAOYSA-N 249.398 3.627 30 20 BHED C=C1CCC(c2nc(-c3ccoc3C)no2)CC1 896300564 OZZAELRPDVLQEK-UHFFFAOYSA-N 244.294 3.852 30 20 BHED CC(=NNc1ccc(Cl)cc1)c1ccc[nH]1 916246885 NRKDVBKDTKBRMC-UHFFFAOYSA-N 233.702 3.504 30 20 BHED C[C@@H]1CCC[C@@H](C=NNCc2ccc(F)cc2)C1 1116437001 NKDGCENIEKZXRR-TZMCWYRMSA-N 248.345 3.727 30 20 BHED CCN(Cc1ccc(CC(C)C)cc1)[C@@H](C)C#N 1196402445 KBLKJBZPZVHKIH-AWEZNQCLSA-N 244.382 3.619 30 20 BHED Cc1cc(CNc2cccc(C#N)c2)c(C)s1 49684949 MGQAXMAZQMRDDB-UHFFFAOYSA-N 242.347 3.849 30 20 BHED C=C(C)CN(C)Cc1cccc(C(F)(F)F)c1 52047825 ZBMMOZKBHHEWIL-UHFFFAOYSA-N 243.272 3.713 30 20 BHED C[C@@H]1CCC[C@H](Sc2cc(C#N)ccn2)C1 54690667 IMEVGEZBPFZCAY-PWSUYJOCSA-N 232.352 3.624 30 20 BHED N#Cc1ccc(Cl)cc1OCC1CCCC1 90808860 IXFBSSYZNCSNRB-UHFFFAOYSA-N 235.714 3.781 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cccc(Cl)c1 116907711 FRXFOYPCIPUPSU-GHMZBOCLSA-N 223.747 3.955 30 20 BHED C[C@H](NCC(C)(C)C#N)c1cccc(Cl)c1 129202191 LYOTXDYOPUFWAQ-JTQLQIEISA-N 236.746 3.540 30 20 BHED Cc1cccc2c1[C@H](C)/C(=C/c1cccnc1)C2=O 157604563 SHKOTDNJZFFWOW-CDCQXCROSA-N 249.313 3.773 30 20 BHED CC(C)CC[C@H]1CCCCN1CCCCC#N 158134029 PQFYBUFKIAOMIF-OAHLLOKOSA-N 236.403 3.971 30 20 BHED C=CCCCNc1ccc2scnc2c1 172645488 YQEUZFOALKRAOU-UHFFFAOYSA-N 218.325 3.674 30 20 BHED C=CCCCC(=O)NC[C@H](CC)c1ccccc1 175123444 RECUAHRRTVKZRN-AWEZNQCLSA-N 245.366 3.653 30 20 BHED C=CCCCC(=O)Nc1ccccc1OCCC 175199567 DPAYCVMZYVDOJI-UHFFFAOYSA-N 247.338 3.770 30 20 BHED C#CCCCCN[C@@H](CC)c1ccccc1F 180941142 NRFMESMHROJJQO-HNNXBMFYSA-N 233.330 3.670 30 20 BHED C=CCCC[C@H](C)NC(=O)c1ccc(F)cc1C 182619175 USPIJYFPHZPKPN-LBPRGKRZSA-N 249.329 3.609 30 20 BHED N#CCCCSCc1c(F)cccc1F 191005682 FEBLLGJHIMOJFV-UHFFFAOYSA-N 227.279 3.502 30 20 BHED CC[C@@H](C)CN(CC)Cc1cccc(C#N)c1F 223556264 QJUMEVAXHXSCKE-GFCCVEGCSA-N 248.345 3.565 30 20 BHED C#C[C@H](CC)NC1CCC(c2ccccc2)CC1 229884515 QUGWVDZFRVNKCZ-AQFXKWCLSA-N 241.378 3.714 30 20 BHED CCC(C)(C)N(C)CCCCC(C)(C)C#N 233068847 LHZGZJMSJJSVMR-UHFFFAOYSA-N 224.392 3.827 30 20 BHED C=CCCCNc1ccc(F)cc1OCC 303945650 ZEKXDRDOCNRMHS-UHFFFAOYSA-N 223.291 3.603 30 20 BHED C[C@H]1CCCC[C@@]1(C)NCc1cc(C#N)cs1 308722959 QXGKCCYASDAVRN-SMDDNHRTSA-N 248.395 3.678 30 20 BHED C=C(CC)CN[C@@H](C)[C@@H](C)c1ccccc1 309777115 LXONRYXHZZMULG-KGLIPLIRSA-N 217.356 3.734 30 20 BHED C=C(C)CCNc1ccc(C)cc1OCC 309926903 VTEAUZNUBGBTKY-UHFFFAOYSA-N 219.328 3.772 30 20 BHED C=CC[C@@H](C)N[C@H]1CCCC12CCCC2 328157545 HFKFYJUPCWGWIP-OLZOCXBDSA-N 207.361 3.654 30 20 BHED CC(C)C[C@H](C)C[C@H](C)NCCCCC#N 336696824 ZARCBPGLRXENIB-KBPBESRZSA-N 224.392 3.731 30 20 BHED C[C@@H](CCC1CCCCC1)NCCCC#N 336726832 BSERYSYUMUYMFV-ZDUSSCGKSA-N 222.376 3.629 30 20 BHED C=C(C)CN(CC)Cc1cnc2ccccc2c1 337126080 FNBUVVGJBGPGGI-UHFFFAOYSA-N 240.350 3.633 30 20 BHED C=C(C)CCSc1nc2nc(C)ccc2o1 349817578 XRRAPZCAJFQGEG-UHFFFAOYSA-N 234.324 3.590 30 20 BHED C=CCOc1cccc(CN2[C@@H](C)CC[C@H]2C)c1 354996448 WRRGZSDVTUIKNT-OKILXGFUSA-N 245.366 3.624 30 20 BHED C=C(C)CCNCc1cccc(OC(C)C)c1 386840237 XNUWGYPXWGSDQX-UHFFFAOYSA-N 233.355 3.530 30 20 BHED CCCCCCCN[C@H]1C[C@H](C)O[C@H](C)C1 390746351 AHTYWKFZMXCRTN-BTTYYORXSA-N 227.392 3.502 30 20 BHED CC(C)(CC#N)CNc1cc(Cl)ccc1C#N 413410904 QFEQSBLEFBEXFL-UHFFFAOYSA-N 247.729 3.563 30 20 BHED CC[C@@H](NCc1ccc(C#N)s1)[C@@H]1CC1(C)C 418108194 QSWFDRREILITEQ-QWHCGFSZSA-N 248.395 3.534 30 20 BHED CC1(C)[C@H](c2ccccc2)CCN1CCCC#N 421022048 PJLBZXMWEYWFQA-HNNXBMFYSA-N 242.366 3.558 30 20 BHED CC(C)(C)CSCc1cccc(C#N)c1F 440590757 ZSMFZQMURHBZJK-UHFFFAOYSA-N 237.343 3.977 30 20 BHED CC[C@@H](F)CSCc1cccc(C#N)c1 442555823 KUXCPNFNPLVJQL-GFCCVEGCSA-N 223.316 3.540 30 20 BHED C=CCCN1CCSC[C@H]1c1ccc(C)cc1 525328703 MCIPXIOHJSEVKW-HNNXBMFYSA-N 247.407 3.661 30 20 BHED C=CCCCOc1ccccc1OC(F)F 525358295 JWALOQPGXHNMSL-UHFFFAOYSA-N 228.238 3.633 30 20 BHED C=CCC[C@@H](Nc1ccc(SC)cn1)C1CC1 539690411 PQCADTWHDOOXQR-CYBMUJFWSA-N 248.395 3.960 30 20 BHED CC(C)(CC#N)CSc1ccccc1F 594879902 BQHDOPFLDLOSMG-UHFFFAOYSA-N 223.316 3.858 30 20 BHED CC(C)C[C@H](C)CC(=O)Nc1ccc(C#N)cc1 609009286 MBTYMMSJSDFDNN-LBPRGKRZSA-N 244.338 3.569 30 20 BHED CC/C=C\CCN[C@@H](C)c1cccc(C#N)c1 613450973 VRZNXAQIYWRBMV-ZFDPJTLLSA-N 228.339 3.565 30 20 BHED C=CCN(C(=O)CCC(C)(C)C)C(C)(C)C 622944134 GCBCWXOXLSWNIB-UHFFFAOYSA-N 225.376 3.626 30 20 BHED C=CCCN1CCC[C@H]1c1ccc(OC)c(F)c1 661659697 LAEOWTHBHMNZQH-AWEZNQCLSA-N 249.329 3.547 30 20 BHED C=CCCNC(=O)Nc1ccccc1C(C)C 664325945 VASPBOXYXJEUOD-UHFFFAOYSA-N 232.327 3.508 30 20 BHED C[C@@H](CC(C)(C)C#N)NC1CCCCCC1 695819614 UJXSEUVAUDVZRI-LBPRGKRZSA-N 222.376 3.627 30 20 BHED C=CC[C@H](C)N[C@@H]1C[C@H](C)c2c(F)ccc(O)c21 756713894 WGXXQBUILRSSBQ-JBLDHEPKSA-N 249.329 3.634 30 20 BHED CCCCCCCCNC(=O)CC1(C)CC1 758001894 BRGCZAPSKUJTLR-UHFFFAOYSA-N 225.376 3.653 30 20 BHED COCCCC(C)=NNc1cc(C)cc(C)c1 759192172 NMJSFVXICITSHF-UHFFFAOYSA-N 234.343 3.518 30 20 BHED C#CCCCSc1ccc(C#N)cc1Cl 766292756 KQSLJYGRVXUNIF-UHFFFAOYSA-N 235.739 3.717 30 20 BHED CC(=NNc1c(C)cccc1F)c1ccco1 769828330 RLJJRFOOBVAYKA-UHFFFAOYSA-N 232.258 3.563 30 20 BHED O=C(/C=C/c1ccc2cnccc2c1)c1ccco1 782349412 YADUZTHGNGUKLX-GQCTYLIASA-N 249.269 3.724 30 20 BHED C#CC[C@@H](N[C@H]1CC=C(C)CC1)c1ccccc1 788691054 XSBOYXWRHDHUSI-DLBZAZTESA-N 239.362 3.839 30 20 BHED CC(CCC1CC1)=NNc1cccc(Cl)n1 793162121 QMZUHPDJFJEDBN-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C#CCCCNc1ccnc2c(Cl)cccc12 804515857 HKUUDWOGKJLOTE-UHFFFAOYSA-N 244.725 3.714 30 20 BHED C=CCCCCCCCNC(=O)/C=C/C=C/C 810767704 WZSLIGVNZXLQMT-OACCZNHXSA-N 235.371 3.762 30 20 BHED CCC[C@H](C)C(CC)=NNC[C@@H]1CCSC1 811657016 BPUWKSWAQYLOPX-RYUDHWBXSA-N 242.432 3.531 30 20 BHED C[C@@H](C=NNc1cccc(F)n1)C1CCCCC1 814930261 VPGVKRVWQWWKKP-NSHDSACASA-N 249.333 3.835 30 20 BHED CC(C)[C@@H]1CC(=NN[C@@H](C)C(C)(C)C)CS1 814938531 NLSPHYBXMPMKKQ-JQWIXIFHSA-N 242.432 3.528 30 20 BHED C#CCCCCCC=NNc1ccccc1 834914984 VYZLOQOJFFDGCW-UHFFFAOYSA-N 214.312 3.668 30 20 BHED CCCCCCC(=O)O[C@@H]1CCC[C@@H](C#N)C1 839060131 YXUVWTSCCBPBII-CHWSQXEVSA-N 237.343 3.582 30 20 BHED CCC/C(C)=C/C(=O)O[C@H](C)CC(C)(C)C#N 851210884 VWRCQLNWQNYCHG-JATZPVMKSA-N 237.343 3.604 30 20 BHED C=CCC1(NC(=O)/C(C)=C(\C)CC)CCCC1 855927756 YITDEDVLOTYADR-OUKQBFOZSA-N 235.371 3.738 30 20 BHED Cc1ccc(NN=C[C@H]2CC=CCC2)cc1 916250227 QZNNVRLMWLYFEH-ZDUSSCGKSA-N 214.312 3.749 30 20 BHED CC(=NNCC(C)C)C12CC3CC(CC(C3)C1)C2 916366174 QVMXMEKZYFHHJO-UHFFFAOYSA-N 248.414 3.824 30 20 BHED C=C(Cl)CNC[C@H]1CCCC(C)(C)C1 1474018579 VZDZXEFJXYYKDQ-NSHDSACASA-N 215.768 3.545 30 20 BHED C[C@@H](CN1CCC[C@](C)(C#N)C1)C1CCCCC1 1653856069 YQYRYBSDLOBEMH-GOEBONIOSA-N 248.414 3.828 30 20 BHED C=CCN[C@@H](C)c1ccccc1C(F)(F)F 19875819 DXHUVPDLTQEVTD-VIFPVBQESA-N 229.245 3.542 30 20 BHED CC(C)CC(C)(C)CNCC(C)(C)CCC#N 177596871 UYYGEQRCHIRHJZ-UHFFFAOYSA-N 238.419 3.978 30 20 BHED C=CC[C@H](C)N[C@@H]1CCCOc2cc(F)ccc21 182139321 ZAOPQZBQLQAPNI-SMDDNHRTSA-N 249.329 3.594 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@H](C)C1CCCCC1 188447252 VBROJZOGMRBTCS-DOMZBBRYSA-N 237.387 3.674 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccccc1Cl 189754409 RRXUPXOEJYMKLZ-CYBMUJFWSA-N 237.730 3.881 30 20 BHED C=CCCCSCCc1scnc1C 190948835 FBPQVWVTTXMPDN-UHFFFAOYSA-N 227.398 3.693 30 20 BHED O=C(/C=C\c1ccc(F)cc1)c1cccc(F)c1 206087499 IMKGVXFXAVWALO-TWGQIWQCSA-N 244.240 3.861 30 20 BHED C[C@@H]1CC[C@@H](NCC(C)(C)CCC#N)C[C@H]1C 248562727 BDWCVTRGXCVFPV-MGPQQGTHSA-N 236.403 3.731 30 20 BHED C[C@H]1[C@H](C)CCC[C@H]1Nc1ccc(CC#N)cc1 252231617 ZYHUIAUXPYQASP-DVOMOZLQSA-N 242.366 3.989 30 20 BHED C=CCC[C@H](C)N[C@H](CCC#N)c1ccccc1 273491814 OKFSKNGANXTVTL-GOEBONIOSA-N 242.366 3.976 30 20 BHED CC(C)(C#N)CCCCSCc1ccon1 277919584 PFKWOOQVCYMMMM-UHFFFAOYSA-N 238.356 3.628 30 20 BHED N#C[C@@H]1CC[C@@H](Sc2cccs2)C1 278667437 XOZNBPYCOYJUGT-RKDXNWHRSA-N 209.339 3.532 30 20 BHED COc1ccccc1N(CCCCC#N)C(C)C 289403009 AFBNDRZXWPJAOV-UHFFFAOYSA-N 246.354 3.604 30 20 BHED C=CCCCCNc1ccc(C(C)=O)cc1 309348488 XBFUGSLWKLEPKO-UHFFFAOYSA-N 217.312 3.657 30 20 BHED C=CCCCSC[C@H]1CCC(C)(C)O1 358662177 OBPXRAQAUBHCHI-LLVKDONJSA-N 214.374 3.643 30 20 BHED C[C@H]1CCN(CCCCC#N)CC12CCCCC2 360609365 BYOVSMVBCFXKAD-HNNXBMFYSA-N 248.414 3.973 30 20 BHED C=CCCCCNCc1cc(F)ccc1C 380535785 FUTYIVRXQMOBCB-UHFFFAOYSA-N 221.319 3.580 30 20 BHED CCCCCCCCCN[C@H](C)CC#N 393613575 KHVKBXUYUJJNRM-CYBMUJFWSA-N 210.365 3.629 30 20 BHED C=CCCC[C@@H](C)NCc1ccc(C#N)cc1F 398152427 GZKACCPPCHITAL-GFCCVEGCSA-N 246.329 3.532 30 20 BHED CC[C@H](NCc1ccc(C#N)s1)[C@H]1CC1(C)C 418108193 QSWFDRREILITEQ-OLZOCXBDSA-N 248.395 3.534 30 20 BHED CCc1cc(C#N)ccc1OCCC(C)(F)F 419003166 TZIYRPBELCNVEI-UHFFFAOYSA-N 239.265 3.545 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)CC 424689170 KSNZJROIFCVHSE-VXGBXAGGSA-N 225.376 3.530 30 20 BHED C=C[C@@H]1CCCCN1Cc1cc(Cl)cs1 426573733 PIKMDJSACDNUQV-LLVKDONJSA-N 241.787 3.942 30 20 BHED C=CCC[C@H](NCc1ccc(F)cc1)C1CC1 439074041 CXUUYHUZMXKFLK-HNNXBMFYSA-N 233.330 3.660 30 20 BHED C=CCN[C@H](CC(F)(F)F)c1ccccc1C 444789213 ZYZRMDSSVZASJH-GFCCVEGCSA-N 243.272 3.764 30 20 BHED C=CC(C)(C)CN[C@@H]1CCCOc2ccccc21 453304134 DXISGHCMPZQMHP-CQSZACIVSA-N 245.366 3.702 30 20 BHED C=C(C)C[C@@H](C)C(=O)N1CCCCC(C)(C)C1 474105658 LACXQFFTPNAQTI-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=C1CCN([C@H]2CCCc3ccc(F)cc32)CC1 510566492 STLKUOQVWYACTM-INIZCTEOSA-N 245.341 3.855 30 20 BHED CCC[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 531816289 FQGSNPSIHZSYIM-OAHLLOKOSA-N 242.366 3.570 30 20 BHED C=C(CC)CN1CCc2ccc(Cl)cc2C1 540243029 XPQVCHQSPWFMDX-UHFFFAOYSA-N 235.758 3.664 30 20 BHED C=CCCCCCN(C)Cc1ccncc1C 566836763 JHEZCKRXHKJPOQ-UHFFFAOYSA-N 232.371 3.568 30 20 BHED Cc1cc(S[C@H](C)CCC#N)ccc1C#N 570514990 YEMJFWRNEQZVBS-LLVKDONJSA-N 230.336 3.651 30 20 BHED C=CCCN[C@@H]1C[C@H](c2ccccc2)C1(C)C 658112993 CDUOBOIBJLXPES-HUUCEWRRSA-N 229.367 3.734 30 20 BHED CC1=CC(=NNc2ncccc2Cl)CCC1 727255599 QRXOHBZPPUDWSK-UHFFFAOYSA-N 235.718 3.633 30 20 BHED C=CCCCOC(=O)C1(c2ccccc2C)CC1 735535702 YGKJXRAYMXADNJ-UHFFFAOYSA-N 244.334 3.536 30 20 BHED CCC(=NNc1ccc(C)cc1)C1CCOCC1 745193113 FXXUNVNENMVAAU-UHFFFAOYSA-N 246.354 3.600 30 20 BHED CCCCCCCCC(=O)N1CC[C@@H](C)C1 750775543 JODUOHDAYMKAOR-CYBMUJFWSA-N 225.376 3.605 30 20 BHED C#CCCCN[C@@H](c1ccc(C)o1)C1CCCC1 756608157 HPJNMZWRBZTPLD-MRXNPFEDSA-N 245.366 3.822 30 20 BHED C=CCC(C)(C)C(=O)O[C@H](C)CC(C)C 796773524 CLCSFAMTQIPCEL-LLVKDONJSA-N 212.333 3.567 30 20 BHED C=CCC(C)(C)CNC(=O)C=C1CCC(C)CC1 817457087 LMCQTJKSSKNDTO-UHFFFAOYSA-N 249.398 3.841 30 20 BHED C#CCCCCC(=O)Nc1cscc1Cl 874811937 WNFIKRMOIOXRAA-UHFFFAOYSA-N 241.743 3.534 30 20 BHED C=C(CC)C(=O)Nc1ccccc1NC(C)(C)C 1263795119 MLIJHTWWJOOZGA-UHFFFAOYSA-N 246.354 3.802 30 20 BHED Cc1ccc(C)c(/C=C\c2cc(C#N)ccn2)c1 1321461998 PULQGRMECMPNTE-WAYWQWQTSA-N 234.302 3.741 30 20 BHED C=C(C)CCC(=O)N(C)[C@@H](C)c1cccs1 1336291481 SULZLLXPFTWCRA-NSHDSACASA-N 237.368 3.624 30 20 BHED Cc1cc(CSc2cccnc2C#N)cs1 1652838143 OYDGAKDFAQFABP-UHFFFAOYSA-N 246.360 3.616 30 20 BHED CCN(Cc1ccccc1C(C)C)[C@@H](C)C#N 1655165135 SQZZXFIHCBGKAK-ZDUSSCGKSA-N 230.355 3.544 30 20 BHED Cc1ccc(O)c(C(=O)/C=C/c2cccs2)c1 5549228 VCFJMEXLIHFQRQ-FNORWQNLSA-N 244.315 3.658 30 20 BHED C=C(Cl)CN[C@@H](C)CCCCCC 42222752 WBZRWRPYVKXVLF-NSHDSACASA-N 203.757 3.687 30 20 BHED CC1(C)CC[C@@H](Nc2cccc(F)c2C#N)C1 129287719 CPZJSMBHGMMUDK-SNVBAGLBSA-N 232.302 3.688 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc(C)cc1OC 163335693 BEWZVKVBQDLJLT-STQMWFEESA-N 233.355 3.619 30 20 BHED C=CC[C@H](C)NCC[C@@H](C)c1ccccc1 169107268 OZFMTLKVFHXCSS-KGLIPLIRSA-N 217.356 3.734 30 20 BHED C[C@H](CC1CC1)Nc1ccccc1O[C@H](C)C#N 180204445 JVJXKQQRBIDJOR-VXGBXAGGSA-N 244.338 3.578 30 20 BHED Cc1ccc(F)cc1/C=C/C(=O)c1ccco1 182294821 BTPBZEOZMVZBSD-FNORWQNLSA-N 230.238 3.623 30 20 BHED C[C@H](c1cccc(C#N)c1)N1CCCC(C)(C)C1 186113730 XVTIMABSJOEAKG-CYBMUJFWSA-N 242.366 3.741 30 20 BHED C[C@@H](CCC1CC1)Nc1ccc(C#N)cc1F 302221928 OBTUQYGRKDOOCQ-JTQLQIEISA-N 232.302 3.688 30 20 BHED C=C[C@@H](C)N[C@@H](CC)c1cccc(C)c1 308785154 AQRVIMLSXIQXTG-OCCSQVGLSA-N 203.329 3.610 30 20 BHED C=CCC(C)(C)CNc1ncnc2sccc12 336655997 KOWCAVCRPGZIJN-UHFFFAOYSA-N 247.367 3.706 30 20 BHED C=CCCCC(=O)Nc1ccc(F)c(C2CC2)c1 342133507 PIXFQVDZWZAGBZ-UHFFFAOYSA-N 247.313 3.998 30 20 BHED Cc1cc(C)c(NCCC(C)(C)C#N)c(C)c1 345317864 MWNOLWSMOGCKGY-UHFFFAOYSA-N 230.355 3.964 30 20 BHED C=C(C)CCN[C@H](C)[C@@H]1CC2CCC1CC2 381925949 OWIFAVDOYTVXTI-URGYJCLVSA-N 221.388 3.757 30 20 BHED C#CCCCNc1cccc(SC)c1C 389961244 VYQXMVJADIVDDR-UHFFFAOYSA-N 219.353 3.542 30 20 BHED C=C(C)CCN[C@H](CC)c1cccc(F)c1 395307842 YJNYEYBRAIXDHF-CQSZACIVSA-N 221.319 3.833 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1CS[C@H](C)C1 414219755 BNYQQOAOQMPXED-XQQFMLRXSA-N 227.417 3.605 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H](CC)[C@H]1CC1(C)C 424897911 WNOQLIYUDMIDEI-VXGBXAGGSA-N 237.387 3.530 30 20 BHED CCC[C@H](NCc1ccccc1C#N)C1CCC1 448552488 AFMYMPCLPKLWRB-INIZCTEOSA-N 242.366 3.617 30 20 BHED C=CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 467057002 HKQUZUWZEFXROP-QLFBSQMISA-N 249.398 3.627 30 20 BHED CC(C)C[C@@H](C)CSc1ccc(C#N)cn1 499933719 DLLRMZGDASMHQL-LLVKDONJSA-N 234.368 3.728 30 20 BHED CC[C@H](CN(C)CC(C)(C)C#N)c1ccccc1 552085795 MZGJPVZUQMDPAJ-CQSZACIVSA-N 244.382 3.662 30 20 BHED CC(C)C[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 589343716 SEOPLQYOQIEOPH-BLLLJJGKSA-N 242.366 3.570 30 20 BHED C=CCCSCc1cccc2c1CCOC2 601050633 PGHPXTCLDULVLR-UHFFFAOYSA-N 234.364 3.569 30 20 BHED CC(C)CC[C@@H]1CCC[C@@H]1NCC(C)(C)C#N 613540293 JROVHWLYTNOQTH-KBPBESRZSA-N 236.403 3.731 30 20 BHED C[C@H](N[C@@H]1CCC12CCC2)c1cccc(C#N)c1 619723856 RJRUJHNASKNBPF-SWLSCSKDSA-N 240.350 3.542 30 20 BHED C=CC(C)(C)C(=O)NC1CCC(C2CCC2)CC1 620475198 OLIZWJUGRBURCT-UHFFFAOYSA-N 249.398 3.674 30 20 BHED C=CCCC(=O)N1CCC[C@@H](C2CCCCC2)C1 620692221 ARJCOWYQVMTVRC-OAHLLOKOSA-N 249.398 3.772 30 20 BHED C=CCCN[C@@H](C)c1sc(C(C)C)nc1C 658116664 MWKVWSDLRPYGQH-JTQLQIEISA-N 238.400 3.802 30 20 BHED Cc1cccc2c1C/C(=C\c1ccsc1)C2=O 729151305 QUPGBSYZAHOEIB-KPKJPENVSA-N 240.327 3.879 30 20 BHED C[C@@H]1CCC[C@H]1/N=C/c1cc(Cl)ccc1O 729641814 YORBJGLURBRFLW-FKTXRZKZSA-N 237.730 3.653 30 20 BHED CC(CCc1ccccc1F)=NNC1CCCC1 734096620 TVVONMRNQYYGTQ-UHFFFAOYSA-N 248.345 3.666 30 20 BHED CCCCCCCCCNC(=O)C1CC=CC1 740816028 PMFRLEYOYPLGNJ-UHFFFAOYSA-N 237.387 3.819 30 20 BHED C#CCCCCCC(=O)N(CC1CCC1)C(C)C 767128380 WMQXTNIUFASUAK-UHFFFAOYSA-N 249.398 3.607 30 20 BHED CCON=C(C)c1cccc2ccccc12 767464559 QYITYJWTIDQESX-UHFFFAOYSA-N 213.280 3.600 30 20 BHED C=CCCCCCOC(=O)CCc1ccoc1 784060193 AYCWDILVWUSZHO-UHFFFAOYSA-N 236.311 3.502 30 20 BHED Cc1c(Cl)cnc(NCCC2CCC2)c1C#N 784164849 YSVGSAJTMDGZML-UHFFFAOYSA-N 249.745 3.517 30 20 BHED CC[C@H](C)NN=C1CCC(C(C)C)CC1 790184472 VYUOMIRASWDEGQ-PXYINDEMSA-N 210.365 3.577 30 20 BHED CC[C@H](C)CON=C(C)c1cccc(F)c1 793163308 ILSNZKJQBONFJW-JTQLQIEISA-N 223.291 3.612 30 20 BHED C=CCCCCCCNC(=O)[C@H]1CC[C@H](C)C1 805219259 CJRDUGXCBHSLFQ-KBPBESRZSA-N 237.387 3.675 30 20 BHED CC(=NOCCC1CC1)c1csc(Cl)c1 814245449 SMSZFFQTIQKIAM-UHFFFAOYSA-N 243.759 3.942 30 20 BHED CC(C)(C)SCOc1ccc(C#N)c(F)c1 871652595 AEKOJEWVWLFMPH-UHFFFAOYSA-N 239.315 3.565 30 20 BHED C=C(Cl)CN(CC)Cc1ccccc1Cl 915255272 XALOZWOKDVKGMV-UHFFFAOYSA-N 244.165 3.914 30 20 BHED CCCCCCCCCN(C)C[C@H]1CCOC1 918741724 OVUJILHLGSFXAG-OAHLLOKOSA-N 241.419 3.705 30 20 BHED Cc1ccc([C@H](C)/N=C/c2ccccc2O)s1 920175263 ULTDNASEYGQTRO-ZRRZQRFHSA-N 245.347 3.942 30 20 BHED CC(=NNc1cccc(F)c1)c1ccccc1F 920384098 OMEFOGDJENOTEJ-UHFFFAOYSA-N 246.260 3.801 30 20 BHED CCCCCCCCc1nnc(COCC)o1 1328446410 CGKXTGHZBMYNKS-UHFFFAOYSA-N 240.347 3.509 30 20 BHED C#Cc1cccc(NCc2ccccc2Cl)c1 19876789 YBEBGMOUAPGUQD-UHFFFAOYSA-N 241.721 3.933 30 20 BHED CC[C@H](C)C[C@H](CC)NCc1ccc(C#N)cc1 37748314 AGVXMOANDZPTQV-BBRMVZONSA-N 244.382 3.863 30 20 BHED N#CCN1CCCCC[C@H]1c1ccc(Cl)cc1 117346546 ABUBXKCNBNLWTA-AWEZNQCLSA-N 248.757 3.781 30 20 BHED C=CCCCN1CCC(c2ccc(O)cc2)CC1 117872087 WQDYFZONJHZDEV-UHFFFAOYSA-N 245.366 3.538 30 20 BHED C=CCC[C@H](C)N[C@H](C)Cc1cccs1 126742691 WWKQDQFXRFZSNB-NWDGAFQWSA-N 223.385 3.623 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1ccoc1 133096538 YHPXBICQTSHFOV-RYUDHWBXSA-N 207.317 3.675 30 20 BHED C=CCCCOc1ccc2[nH]ccc2c1 156635125 GMHPCXWYTWMLCP-UHFFFAOYSA-N 201.269 3.513 30 20 BHED Cc1cc(C#N)ccc1CN(C)c1ccccc1 165429030 IRXMMEYWMYSCJQ-UHFFFAOYSA-N 236.318 3.503 30 20 BHED CCC[C@H]1[C@H](C)CCCN1CCCCC#N 173704891 SHCASLORTXTFAE-KGLIPLIRSA-N 222.376 3.581 30 20 BHED C[C@H](C#N)SCCCCc1ccccc1 186724619 HAXVLAFUIHHDPK-GFCCVEGCSA-N 219.353 3.655 30 20 BHED C[C@H](Oc1ccc(C#N)cc1)c1cccc(C#N)c1 190087381 CMULBRYUZFRTIB-LBPRGKRZSA-N 248.285 3.570 30 20 BHED C=CCC1(C(=O)N2C[C@H](C)CCC[C@H]2C)CCC1 191907110 WWWUSZVIBSUGIH-ZIAGYGMSSA-N 249.398 3.770 30 20 BHED Cc1ccc(C#N)c(N[C@@H]2CCC[C@H](C)CC2)n1 227539237 YCVNDPSTUSTNAE-SMDDNHRTSA-N 243.354 3.642 30 20 BHED CC1(C)CCCC[C@@H]1N[C@H]1CCC[C@@H](C#N)C1 248832052 MPQWTYHBDVWKQT-RDBSUJKOSA-N 234.387 3.627 30 20 BHED O=C(/C=C\c1ccc(Cl)s1)c1ccncc1 255137774 LVKWHBMAEJSYRX-IWQZZHSRSA-N 249.722 3.693 30 20 BHED COCC[C@H](C)S[C@H](C)c1cccc(C#N)c1 276267385 YVCOGVACEXDVQH-NWDGAFQWSA-N 249.379 3.777 30 20 BHED C=CCC(C)(C)C(=O)N1CC=C(C(C)(C)C)CC1 293576263 WHCZGEQROQSHJG-UHFFFAOYSA-N 249.398 3.794 30 20 BHED N#CCCCCN1CCC[C@@H]1c1cccc(F)c1 299530399 GMVAYVJMDVVLRH-OAHLLOKOSA-N 246.329 3.656 30 20 BHED C=CCCCNc1cc(F)c(OC)cc1C 309857490 LEFKPOJCSNRVNA-UHFFFAOYSA-N 223.291 3.521 30 20 BHED C=CCC(C)(C)CNCc1cccc2cc[nH]c12 310877308 QTZJVUOJIOGSNQ-UHFFFAOYSA-N 242.366 3.860 30 20 BHED CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(C)cc1 339064161 RUAUFCHUXIJFII-BPUTZDHNSA-N 242.366 3.728 30 20 BHED C=Cc1ccc(C(=O)N2CCCC[C@@H]2C=C)cc1 341665809 COBKXIJEYAICGZ-HNNXBMFYSA-N 241.334 3.510 30 20 BHED C=C[C@@H](C)N[C@H]1CCCc2ccc(Cl)cc21 390415228 GWFRNPFDVKYOHJ-YGRLFVJLSA-N 235.758 3.882 30 20 BHED CC(C)(CCC#N)CN1CC[C@@H](C2CCCC2)C1 421394857 UFLOZIBXQQUQFD-OAHLLOKOSA-N 248.414 3.828 30 20 BHED C=CCCCCCN1CCC(C)(OCC)CC1 428723405 SOJJUGYKXMOYJS-UHFFFAOYSA-N 239.403 3.624 30 20 BHED C=CCC(C)(C)C(=O)NC[C@H]1CCCC[C@@H]1C 429891911 RWGYITKSHFPVSV-QWHCGFSZSA-N 237.387 3.531 30 20 BHED CCCOc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 442863083 CBMCJSPYKRIJKZ-JSGCOSHPSA-N 244.338 3.580 30 20 BHED Cc1cc(CNc2ccc(F)cc2)ccc1C#N 443967809 DHXJPACVWSLVNY-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=CCCCCN[C@H](CC)c1ccc(C#N)cc1 447603840 YWJVZGCIESVLEO-MRXNPFEDSA-N 242.366 3.955 30 20 BHED C=CCN(C)C[C@@H](c1ccccc1)C(C)C 474926600 HSICCEWCYYVCQS-OAHLLOKOSA-N 217.356 3.544 30 20 BHED Cc1cc(CN(CC(C)C)C(C)C)ccc1C#N 486690032 RJTBAHZXILGBSK-UHFFFAOYSA-N 244.382 3.733 30 20 BHED CCC[C@H](CC)N[C@H](C)c1ccc(C#N)c(F)c1 538506851 FUPIUIWNXYMOBN-RISCZKNCSA-N 248.345 3.927 30 20 BHED C=CC1CCN(C(=O)[C@H]2CCC(C)=C(C)C2)CC1 564998902 BMKFZCWFKBEODC-HNNXBMFYSA-N 247.382 3.548 30 20 BHED C=CCC[C@H](C)NCC1(COC)CCCCC1 576389583 BVTPFYREOVZLQY-AWEZNQCLSA-N 239.403 3.528 30 20 BHED CC[C@H](N[C@H](C)c1cccc(C#N)c1)[C@@H]1C[C@H]1C 591239781 WGXJKNKPWAFBQC-BHTHQVBYSA-N 242.366 3.643 30 20 BHED C=C1CCN([C@@H](C)c2ccc(F)c(F)c2)CC1 594733985 OXUYTGLMNYLWNI-NSHDSACASA-N 237.293 3.678 30 20 BHED C=CCSCCCOc1cc(C)cc(C)c1 609633982 PQOXENGLIKWERE-UHFFFAOYSA-N 236.380 3.992 30 20 BHED Cc1sccc1CNc1cc(F)cc(C#N)c1 718557054 KORBRLJDSKKHLH-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C=C(C)CN1CCC[C@H]1c1ccc(F)c(F)c1 732987462 VPCIULWFUQATNE-AWEZNQCLSA-N 237.293 3.678 30 20 BHED CCCCCC[C@@H](C)NN=Cc1cc(C)[nH]c1C 743450041 FFXBYPJUZBZTJV-GFCCVEGCSA-N 249.402 3.914 30 20 BHED CCCCCCCC(=O)NCC1(CC)CC1 752427137 JWDBMQQMSDKHEJ-UHFFFAOYSA-N 225.376 3.653 30 20 BHED COc1cc(C)ccc1C(C)=NOC1CCCC1 774602314 HRLHRJYMXCSAIF-UHFFFAOYSA-N 247.338 3.687 30 20 BHED C=C(Cl)CN[C@@H]1CC[C@](C)(c2ccccc2)C1 783251299 JRVIUFWICHVPJG-CABCVRRESA-N 249.785 3.839 30 20 BHED C=CC[C@H](CC)NC(=O)/C=C\C1CCCCC1 798554731 STCITQGBPSAVAP-NYHXXUGCSA-N 235.371 3.594 30 20 BHED CC(=NOCCC1CC1)c1ccc(C)c(C)c1O 814245552 XGYQNXIISUSNAC-UHFFFAOYSA-N 247.338 3.550 30 20 BHED CO[C@H](C=NOC1CCCCC1)C1CCCC1 853334797 CBTRSXMSLAVDPW-CQSZACIVSA-N 239.359 3.527 30 20 BHED Cc1ccc(-c2ccc(C3(C#N)CC3)cc2)cn1 871885678 MPKSVCNGQXDQRK-UHFFFAOYSA-N 234.302 3.612 30 20 BHED CCCCCCC(=O)OCc1ccccc1C#N 919228234 BFNFVSZUVIWHKY-UHFFFAOYSA-N 245.322 3.572 30 20 BHED Cc1ccc2c(c1)C/C(=C\c1cccs1)C2=O 921264069 ODHJLTGOLODYML-FMIVXFBMSA-N 240.327 3.879 30 20 BHED CC[C@H]1CCC[C@@H]1CNc1cccc(F)c1C#N 1307123722 QFSBUSZVEGIKOM-NWDGAFQWSA-N 246.329 3.936 30 20 BHED C=CCN1CC=C(c2ccc(Cl)cc2)CC1 4205 MNXAVQJMUHZRML-UHFFFAOYSA-N 233.742 3.615 30 20 BHED Cc1cc2nc(-c3cccc(C#N)c3)[nH]c2cc1C 48330418 ZINBWVLRKRDHRD-UHFFFAOYSA-N 247.301 3.718 30 20 BHED CCCCCCCCCNC(=O)c1ccco1 104984901 RNOWNZFYTXWRTG-UHFFFAOYSA-N 237.343 3.760 30 20 BHED CCCCCCCCN1CCC(C#N)CC1 114582076 CNLBQPQOJGRSHI-UHFFFAOYSA-N 222.376 3.582 30 20 BHED CCCCCCCC(=O)N1CC[C@@H](CC)C1 131237784 OWOZIGAUHRIWPF-CYBMUJFWSA-N 225.376 3.605 30 20 BHED C=CCCN[C@@H](C)c1cc2ccccc2o1 164562541 KLLGCFHJPZJYBW-NSHDSACASA-N 215.296 3.660 30 20 BHED C=C(C)CCNc1ccccc1Br 168948466 GWKQNPQSEBAYIV-UHFFFAOYSA-N 240.144 3.827 30 20 BHED Cc1cc(N[C@@H]2CCC[C@@H](C#N)C2)ccc1F 185732207 OBSZYGYQSGQFRD-VXGBXAGGSA-N 232.302 3.628 30 20 BHED CCCCCCCNCC1(SC)CCC1 232955262 UTPMCLOYMBXHCT-UHFFFAOYSA-N 229.433 3.832 30 20 BHED C[C@@H]1CCN(CCCCC(C)(C)C#N)C[C@@H]1C 235279444 JXKGKXLTXMKJCY-KGLIPLIRSA-N 236.403 3.684 30 20 BHED C=CCCCCCN[C@@H](C)c1ccc(C#N)cc1 235510914 DWABQLRQKQOQTA-AWEZNQCLSA-N 242.366 3.955 30 20 BHED CCCC[C@H](CC)CN(CC)C[C@H](C)C#N 251309585 IRWMTXRNDCRMOE-KGLIPLIRSA-N 224.392 3.684 30 20 BHED C=CCC[C@H](NCc1ccco1)c1ccco1 276468196 PFQOFPKIMWQCII-ZDUSSCGKSA-N 231.295 3.670 30 20 BHED C=C(C)C[C@@H](C)c1nc(-c2ccnc(C)c2)no1 289065645 IONXXVZIAQHAJW-SNVBAGLBSA-N 243.310 3.510 30 20 BHED CC(C)(C)c1ccccc1NC(=O)CCCC#N 291050173 BXSSTOVDVYOXLT-UHFFFAOYSA-N 244.338 3.616 30 20 BHED C=CCCCOc1ccc(C)cc1Cl 303907370 TYKLPTLKQZVFMM-UHFFFAOYSA-N 210.704 3.993 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccc(CC)o1 310005525 GNUVEMZMJVCRDG-RYUDHWBXSA-N 221.344 3.847 30 20 BHED C=C(C)CCNCc1ccc(Cl)c(F)c1 395448737 YWZZKALUMFKGLA-UHFFFAOYSA-N 227.710 3.535 30 20 BHED CC(=O)c1ccc(CSCCCCC#N)cc1 419506710 NTAQFTXJMPDAEG-UHFFFAOYSA-N 247.363 3.816 30 20 BHED C=CCCCN1CCC[C@H](CC(F)(F)F)C1 420939765 CHTYISQAKCORLW-LLVKDONJSA-N 235.293 3.617 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H](CC)C1 424685168 ONNVMUSFCFKLKR-CHWSQXEVSA-N 237.387 3.674 30 20 BHED C=CCC[C@@H](C)Nc1cnn([C@@H](C)C2CC2)c1 427861243 BUWOWJZXTNAYMR-NEPJUHHUSA-N 233.359 3.621 30 20 BHED CCCN(Cc1ccc(C#N)cc1)C[C@@H](F)CC 440711581 NWCXMSXGVTWVPV-HNNXBMFYSA-N 248.345 3.518 30 20 BHED CC(C)c1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 442846124 NYWYUOIWEBXBPI-CZUORRHYSA-N 242.366 3.592 30 20 BHED C=CCCCC[C@H](C)N[C@H]1CCOC(C)(C)C1 449217064 WSJRHRFZAWWMES-KBPBESRZSA-N 239.403 3.669 30 20 BHED Cc1cccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)c1 449775603 MQQHKMUCEXNJCI-LZWOXQAQSA-N 242.366 3.728 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCC[C@H]1CC 450420717 CSCQCXTTYGUFOZ-BFHYXJOUSA-N 237.387 3.674 30 20 BHED C=CCC1(C(=O)N(C)[C@H]2CC[C@@H](C)C2)CCCC1 451401542 STVYSZSVRGVFHL-KGLIPLIRSA-N 249.398 3.770 30 20 BHED C=CCNC(=O)[C@H](CCC)CC1CCCCC1 499267301 JOUKSLXCEVHGPD-CQSZACIVSA-N 237.387 3.675 30 20 BHED C=C[C@@H](C)NCc1ccc(Oc2ccccc2)o1 503556801 GASKDAHYOZULTJ-GFCCVEGCSA-N 243.306 3.736 30 20 BHED C=CCc1ccccc1OCCOC(C)(C)C 540648891 JDWAZIAETMNYSE-UHFFFAOYSA-N 234.339 3.609 30 20 BHED C=C(C)C(C)(C)C(=O)NCCCC(C)(C)C 574803753 MEHHSSJQYYSMQF-UHFFFAOYSA-N 225.376 3.531 30 20 BHED N#C[C@H](S[C@@H]1CCc2ccccc2C1)C1CC1 601084788 CNAGGJINCDWOER-CABCVRRESA-N 243.375 3.579 30 20 BHED CCCCCN[C@H]1CCCc2cc(C#N)ccc21 611390385 XDGJBIHFQDKPKO-INIZCTEOSA-N 242.366 3.715 30 20 BHED C=CCC1(NC(=O)c2cccc(C)c2)CCCC1 619106623 RPEVZFRDGGGNQV-UHFFFAOYSA-N 243.350 3.614 30 20 BHED C=CCN(C(=O)c1ccc(CC)cc1)C(C)(C)C 622942266 CDPWUYNKAZOIGK-UHFFFAOYSA-N 245.366 3.676 30 20 BHED C=CCCN[C@H](C)Cc1ccccc1SC 658114781 QXXCHRCBRGMVAQ-GFCCVEGCSA-N 235.396 3.505 30 20 BHED CC[C@@H](C)CCNc1cc(C(C)=O)ccc1C#N 664231668 YBLVEDRMHLHJHL-LLVKDONJSA-N 244.338 3.609 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)c1ccccn1 678697969 LAWIVANNMGEVCP-UONOGXRCSA-N 232.371 3.867 30 20 BHED Cc1cc(F)ccc1NN=CC(C)(C)CCC#N 755814090 JMDLTHHSYREICT-UHFFFAOYSA-N 247.317 3.862 30 20 BHED C=C[C@@H](C)NC(=O)[C@H](CC)CCCCCC 757014260 WYMKWGPEKJSYIM-CHWSQXEVSA-N 225.376 3.674 30 20 BHED Cc1ccc(F)c(NN=C2CCC[C@@H]2C)c1 759665602 PNJTUHXBHKYFHE-JTQLQIEISA-N 220.291 3.722 30 20 BHED C=C(CC)CN1Cc2ccccc2[C@@H](C)C1 773409221 LBKXMJDPLDOBAX-ZDUSSCGKSA-N 215.340 3.572 30 20 BHED CC(=NOC1CCCC1)c1cc(C)ccc1C 774608468 NLKXYTLUKAOWJP-UHFFFAOYSA-N 231.339 3.987 30 20 BHED C=CCCCCC[C@H](C)NCC1CCOCC1 793528280 RBNDYSLWUQEUFA-AWEZNQCLSA-N 239.403 3.528 30 20 BHED Cl/C=C\CON=C(CC1CC1)c1ccccc1 811669743 TXCJMZUGEBSVNQ-KTJIXIAWSA-N 249.741 3.960 30 20 BHED C(/C=C/c1ccccc1)=NOCCC1CC1 814246371 JORNGFSLYMGPAO-PVSDPCLQSA-N 215.296 3.502 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(F)cc1C 834883375 QJZHBVSJEXKUFH-GFCCVEGCSA-N 221.319 3.751 30 20 BHED CC(C)=CCC/C(C)=C\C=NNc1cnccn1 912958979 RXUSRDHRQUOEFI-BLUGJMIBSA-N 244.342 3.567 30 20 BHED CCCCNN=Cc1cccc(Cl)c1Cl 915970235 ZTFOHAOYPIAEDX-UHFFFAOYSA-N 245.153 3.717 30 20 BHED CCC[C@H](C=NNCC(C)C)c1ccccc1 1116455851 CVPPGXZRPAFUPD-OAHLLOKOSA-N 232.371 3.802 30 20 BHED CC[C@@H]1CCC[C@H](CN(CCC#N)CC2CC2)C1 1180030822 QCQHJIKBGICPIT-ZBFHGGJFSA-N 248.414 3.828 30 20 BHED CCC(=NOC(C)(C)C)c1cc(F)ccc1F 1253789151 LMJHRLOLNKUTHQ-UHFFFAOYSA-N 241.281 3.894 30 20 BHED C[C@@H](CNc1cccc(C#N)c1)c1ccccc1 21810089 DPJKIWYPQXPQRA-ZDUSSCGKSA-N 236.318 3.774 30 20 BHED Cc1nsc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C#N 92912245 NYXYRASCNHZDQX-VDDIYKPWSA-N 249.383 3.560 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 116907872 ZSTHDIWRNKYFEN-MNOVXSKESA-N 223.747 3.955 30 20 BHED CC(C)c1ncc(/C=C/C(=O)c2ccco2)s1 118998590 DFNUVYRNKRULJD-AATRIKPKSA-N 247.319 3.756 30 20 BHED C=C(Cl)CN[C@@H]1c2ccccc2CC[C@H]1C 132264073 IAIQPSNZPCAZPB-YGRLFVJLSA-N 235.758 3.652 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2 132686982 WLKOSNWOPDRRIL-OLZOCXBDSA-N 229.367 3.791 30 20 BHED C=C(C)CCN[C@@H]1CCCC[C@@H]1C(C)C 168062933 YUMKQQKTBBWCFG-ZIAGYGMSSA-N 209.377 3.757 30 20 BHED CCCCCCCCC(=O)N(C)c1cccnc1 172188634 OFRILWYHZVVBKQ-UHFFFAOYSA-N 248.370 3.795 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc(SC)cc1 189929932 JGFVBPOKMJGXBP-AWEZNQCLSA-N 249.379 3.949 30 20 BHED CCC(C)(C)CN[C@H](C)c1ccc(C#N)cc1 189991397 FOEKNQIIBNABMB-GFCCVEGCSA-N 230.355 3.645 30 20 BHED Cc1ccc(C)c(/C=C/C(=O)c2ccncc2)c1 192762383 YPHCGZYQDVWNED-AATRIKPKSA-N 237.302 3.595 30 20 BHED C=CC[C@@H](CC)NCc1ccc(Cl)cc1 308959353 RLDIHSOXPCTRFX-CYBMUJFWSA-N 223.747 3.784 30 20 BHED C=CCCCCN[C@@H](CCC=C)C1CC1 308990801 LCRXBTZGNUFTOU-AWEZNQCLSA-N 207.361 3.677 30 20 BHED C=CCOc1ccccc1CN[C@@H](CC)C1CC1 323740522 QBJVVUUVUOVUAD-HNNXBMFYSA-N 245.366 3.530 30 20 BHED C=CCC[C@@H](NCCC1(C)CC1)C1CC1 336768097 UJYJGBZZUZAVQP-CYBMUJFWSA-N 207.361 3.511 30 20 BHED C=CCCN(C)C(=O)c1csc2ccccc12 341952434 QFDGWUCVMRADKM-UHFFFAOYSA-N 245.347 3.549 30 20 BHED C=CCCN[C@@H](c1ccccc1)C(C)(C)C 381527187 XHCRTMXUVZFYEG-AWEZNQCLSA-N 217.356 3.940 30 20 BHED C#C[C@](C)(CC)NCc1cccc(C(F)F)c1 384199417 ZVFKMTCWTXOUFI-CQSZACIVSA-N 237.293 3.516 30 20 BHED COc1cc(C)c(OCCC(C)(C)C#N)c(C)c1 424107396 UMHCEBZCAJOKMT-UHFFFAOYSA-N 247.338 3.631 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)CC1CCCCC1 424562797 KNQVMHGPHTTZQT-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CCN(C)Cc1ccc(Oc2ccccc2)o1 428390017 RWLAASSPQVTRMF-UHFFFAOYSA-N 243.306 3.690 30 20 BHED C=CC[C@H](C)NC(=O)[C@H](CCC)CC(C)C 449889813 RFLBZSQSMAYQJC-QWHCGFSZSA-N 225.376 3.530 30 20 BHED C=CCC(C)(C)C(=O)NCC(C)(C)C1CCC1 452787666 VOFGLEFKMIUEEB-UHFFFAOYSA-N 237.387 3.531 30 20 BHED C=CCCN(C)Cc1cc2c(C)c(C)ccc2[nH]1 467389507 QPTMKTBLBYHSQY-UHFFFAOYSA-N 242.366 3.793 30 20 BHED N#Cc1cccc(N[C@H]2CCC[C@@H]2C2CC2)c1 468407759 JPBQTZPYYFTLEZ-CABCVRRESA-N 226.323 3.549 30 20 BHED C=CC[C@H](C)NCc1ccsc1C(F)(F)F 527659644 CHBNPSNKXMLJIU-QMMMGPOBSA-N 249.301 3.821 30 20 BHED C=C(CC)CN1CCC[C@H]1c1cccs1 537993019 FJSSRAKNCHYFTJ-LBPRGKRZSA-N 221.369 3.851 30 20 BHED C=CCN[C@H](C)C1(c2ccccc2)CCCC1 548496337 MBDNHODXNUWBPI-CQSZACIVSA-N 229.367 3.663 30 20 BHED C=CCC[C@@H](CCC)NCCC1(OC)CCC1 556225814 RGOVDJFWNQXGIH-CQSZACIVSA-N 239.403 3.670 30 20 BHED Cc1cccc(C)c1[C@H](C)N[C@H]1CC[C@H](C#N)C1 578048908 XVDQKWIVKVBRAV-KKUMJFAQSA-N 242.366 3.646 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H](C)C2)C1 617782574 IFJBDJCVJUJTJG-RBSFLKMASA-N 249.398 3.627 30 20 BHED C=CCCCCCOc1ccc2oc(O)nc2c1 664076928 YJRJEKGRXSYSGH-UHFFFAOYSA-N 247.294 3.659 30 20 BHED C=CCCCCn1ncc(Cl)c1C1CC1 664149776 UKRLZPWIHYQTDG-UHFFFAOYSA-N 224.735 3.770 30 20 BHED CC[C@@H](CC1CCCCC1)NCC(C)(C)C#N 720990453 SLLXILMPSVGVRT-AWEZNQCLSA-N 236.403 3.875 30 20 BHED CCCCCC[C@@H](C)NN=C(C)c1ccc[nH]1 743450821 RAJNYZZFHSWFKZ-GFCCVEGCSA-N 235.375 3.687 30 20 BHED C[C@H](CC=NO[C@@H]1CCCCO1)c1ccccc1 755820597 XBFICUSMIRJBBY-UKRRQHHQSA-N 247.338 3.709 30 20 BHED Cc1ccc2[nH]cc(C=NOC3CCCC3)c2c1 774604571 YTVPVQRVHVTQKF-UHFFFAOYSA-N 242.322 3.769 30 20 BHED C=C1CCN(C(=O)[C@H](CC)CCCCC)CC1 775717950 WBKYVZCWILJPIL-CQSZACIVSA-N 237.387 3.772 30 20 BHED C=CCCC(CC)=NN[C@@H]1CCCC1(C)C 782299091 FRYDGMOPQVUTQU-CYBMUJFWSA-N 222.376 3.887 30 20 BHED CCC(C[C@@H](C)CC)=NOCCSC 794576099 BXINKQMJCDWACY-JTQLQIEISA-N 217.378 3.568 30 20 BHED C#Cc1ccc(CN(C2CCCC2)C2CC2)cc1 809546807 XTAIEEAATKFKKL-UHFFFAOYSA-N 239.362 3.575 30 20 BHED CCCC1CCC(=NOCCOC(C)C)CC1 812239577 XJCFNJOKOKUFJF-UHFFFAOYSA-N 241.375 3.774 30 20 BHED C=CCC[C@@H](CCC)NCCc1ccc(N)cc1 817955797 HZQATBUMNPNDOO-MRXNPFEDSA-N 246.398 3.536 30 20 BHED CC(CC(C)(C)C#N)=NN[C@H](C)c1ccccc1 853293635 MTPZWUJDZFNSAK-CYBMUJFWSA-N 243.354 3.653 30 20 BHED CC(C)ON=Cc1ccsc1C(F)(F)F 863115954 DYPYCQPSGCVTKV-UHFFFAOYSA-N 237.246 3.526 30 20 BHED C=CCc1ccccc1OCc1cnc(CC)o1 902690161 IJCKIGSXPPFDQR-UHFFFAOYSA-N 243.306 3.545 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc(C(C)(C)O)cc1 925433614 ZSRMAAZGWCIKMY-STQMWFEESA-N 247.382 3.529 30 20 BHED C#CCN(CC[C@@H](C)c1ccccc1)CC1CC1 1324448213 WRTZIMCRPVENKQ-OAHLLOKOSA-N 241.378 3.525 30 20 BHED N#Cc1c(Cl)cccc1NC1CCCC1 48727842 FJXKDVBUZBXYAY-UHFFFAOYSA-N 220.703 3.566 30 20 BHED C=CCN(C)[C@@H](C)c1ccccc1Cl 52162855 NBIYUAVZNIBIRI-JTQLQIEISA-N 209.720 3.519 30 20 BHED C#CCCCCN[C@H](C)CCc1ccc(F)cc1 90397400 CLLCQLJLMJRRAH-CQSZACIVSA-N 247.357 3.540 30 20 BHED C=C(C)CN[C@H](C)c1ccc(C)c(C)c1 96034165 RGNUACTVXMUSMB-CYBMUJFWSA-N 203.329 3.530 30 20 BHED CC(C)c1ccc(N(C)CCCC#N)cc1 158271996 ZFPGEMZJEFFEKH-UHFFFAOYSA-N 216.328 3.550 30 20 BHED C=CCC[C@H](NCCCCOC)c1ccccc1 159911574 ASPRXDVGADLNOO-INIZCTEOSA-N 247.382 3.710 30 20 BHED C=CCN(Cc1ncc(C)o1)CC1CCCCC1 173732407 IEUHSUJPFDIFNM-UHFFFAOYSA-N 248.370 3.551 30 20 BHED C=C[C@](C)(CC)C(=O)NCC1(CC(C)C)CC1 188506342 DQCYYXGXIDGLAN-CQSZACIVSA-N 237.387 3.531 30 20 BHED Cc1cccc(CNc2cc(F)cc(C#N)c2)c1 227608946 SRNZAHDDPFYFIV-UHFFFAOYSA-N 240.281 3.618 30 20 BHED Cc1ccccc1[C@H](C)OC(=O)CC(C)(C)C#N 278690470 HMQNQABUZKIYAO-LBPRGKRZSA-N 245.322 3.539 30 20 BHED C=CC[C@H](CC)NCc1cccc2[nH]ccc12 281386516 OTHCLQZIWYILPN-ZDUSSCGKSA-N 228.339 3.612 30 20 BHED C=CCC(C)(C)c1nc([C@@H](C)SCC)no1 291956283 RKQBUPUKAHETTD-SECBINFHSA-N 240.372 3.737 30 20 BHED N#Cc1ccccc1NCc1sccc1Cl 304160420 HETYOWKJEAZESY-UHFFFAOYSA-N 248.738 3.885 30 20 BHED COc1cc(C#N)ccc1OC[C@@H](C)CC(C)C 305964801 OYQFKBIDLAZCAV-LBPRGKRZSA-N 247.338 3.628 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCC[C@@H](C)[C@H]1C 309067424 ADGXROQZWIXBJC-YIYPIFLZSA-N 209.377 3.755 30 20 BHED CC(C)(C#N)CCSCCC(C)(C)C#N 341998204 DDTQDQORAKHBLS-UHFFFAOYSA-N 224.373 3.599 30 20 BHED Cc1ccc([C@@H]2CCCN2CCCCC#N)cc1 368877099 OGJJBODRUJEVDY-INIZCTEOSA-N 242.366 3.826 30 20 BHED Cc1cccc(C)c1[C@@H](C)N[C@H](C)CCC#N 411526603 MJWNJNHXQMVPBN-ZIAGYGMSSA-N 230.355 3.646 30 20 BHED C=C[C@H](C)N[C@@H]1CC[C@@](C)(c2ccccc2)C1 438201937 RCARZONAKPRUIT-NUEKZKHPSA-N 229.367 3.661 30 20 BHED C=C(CC)CNC(=O)Nc1ccccc1CCC 454371380 CASCVAQMRQWMMV-UHFFFAOYSA-N 246.354 3.727 30 20 BHED C=CC[C@H](C)NC(=O)[C@]1(C)CC[C@H](C)C1(C)C 457583948 WGYMORFXXUKWGC-HUBLWGQQSA-N 237.387 3.530 30 20 BHED CCC[C@H](C)Sc1cccc(C#N)c1 468648283 OKZYBZSFTNZMOM-JTQLQIEISA-N 205.326 3.839 30 20 BHED C=CCCN1CC[C@H](c2ccccc2)C[C@H]1C 520433355 SCNDHBAEQXFCSV-ZBFHGGJFSA-N 229.367 3.831 30 20 BHED C=CCCC(=O)N(CC)[C@H](C)c1ccc(F)cc1 523284132 VGEQXNICHVCSKS-GFCCVEGCSA-N 249.329 3.701 30 20 BHED C=C(CC)CN(CC)[C@H](C)c1ccc(C#N)cc1 538002721 QVKZEFKNZRGGJM-CQSZACIVSA-N 242.366 3.907 30 20 BHED C=CC[C@@H](C)NC(=O)[C@@H](C)CCC(C)(C)C 544560375 JYYMQUCKADTEJK-NWDGAFQWSA-N 225.376 3.530 30 20 BHED C=CCC(C)(C)c1noc(C2=CCCCC2)n1 556363997 QWZGHXKKJJDOML-UHFFFAOYSA-N 232.327 3.881 30 20 BHED CC1(C)CC[C@H](Sc2cc(C#N)ccn2)C1 563113231 ODYUAYKNODEKIJ-NSHDSACASA-N 232.352 3.624 30 20 BHED CCOc1ccc(C#N)cc1N[C@@H]1CC[C@H]1CC 564299469 MRTINKIOXHXJBB-CHWSQXEVSA-N 244.338 3.557 30 20 BHED C=CCCCCN1CCC[C@@H]1c1ccc[nH]1 572949535 YFMQORCISYWKEI-CQSZACIVSA-N 218.344 3.508 30 20 BHED CC(C)N(C[C@H](C)CCC#N)C1CCCCC1 602432988 JELFCBPUVMFYNM-CQSZACIVSA-N 236.403 3.969 30 20 BHED CCCC(=NOCC(F)(F)F)c1ccccc1 764845291 RWKVYVXEOASTKT-UHFFFAOYSA-N 245.244 3.770 30 20 BHED C=CC[C@@H](N[C@@H](C)C1CCCC1)c1ccncc1 766019933 NVFDVTONUMCISB-XJKSGUPXSA-N 244.382 3.867 30 20 BHED C#CCCCSc1nc2ccccc2n1CC 766274073 CWBXWJCBJXHXNJ-UHFFFAOYSA-N 244.363 3.562 30 20 BHED C#CCC(C)(C)C(=O)N[C@@H](CC)C1CCCCC1 767079577 SXURHASIGKACSK-AWEZNQCLSA-N 249.398 3.511 30 20 BHED Cc1ccc(CN(CCC#N)CC(C)C)cc1F 768153837 MHADDIHVLQJYRS-UHFFFAOYSA-N 248.345 3.506 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C(\C)CCC 775925301 JNIGQYAXKLLSRN-YLSINNKHSA-N 223.360 3.594 30 20 BHED CC1(C)CCC(=NOC2CCCCC2)C1 777456471 AMSYESARXXYQOC-UHFFFAOYSA-N 209.333 3.902 30 20 BHED CC[C@H](C)NN=Cc1ccc(-c2ccccc2)o1 790181964 HEGMBZKSYCTVKF-LBPRGKRZSA-N 242.322 3.669 30 20 BHED CC1(c2ccccc2)CC(=NOC/C=C\Cl)C1 811669941 LGIIWOWPURSZRD-FKYZSKFCSA-N 249.741 3.863 30 20 BHED C=CCCCCCCNc1nnc(C(C)C)o1 828202029 SBEROINORRBXGN-UHFFFAOYSA-N 237.347 3.741 30 20 BHED CC(CC(C)(C)C)=NNc1ncccc1C 834974344 AIYBUHVAKGVKDJ-UHFFFAOYSA-N 219.332 3.614 30 20 BHED CC(=NOCC1CC1)c1c(C)oc2ccccc12 834982029 KFXDYNVUFDHBFX-UHFFFAOYSA-N 243.306 3.892 30 20 BHED CC(=NOC(C)C)c1coc2ccccc12 835000311 MAFZADCYZXPNQX-UHFFFAOYSA-N 217.268 3.582 30 20 BHED C=C(Cl)CNC1(c2ccc(Cl)cc2)CC1 839539604 DBYAJZJAOGYCJT-UHFFFAOYSA-N 242.149 3.671 30 20 BHED C=C(C)CNc1ccc(F)cc1SC 843300903 BYOJABKYLMBERD-UHFFFAOYSA-N 211.305 3.536 30 20 BHED C[C@@H]1CCCCN1N=C1CCCC12CCC2 853381779 LGNTWPSSFKVUKW-GFCCVEGCSA-N 220.360 3.571 30 20 BHED C=C(Cl)CSC/C(Cl)=C/Cl 853783533 LLTFGRFUALJGGK-KXFIGUGUSA-N 217.548 3.791 30 20 BHED Cc1cccc(NN=C[C@@H]2CCC[C@@H](C)C2)n1 863159815 FROJKAGUXAYZJU-DGCLKSJQSA-N 231.343 3.614 30 20 BHED C[C@H](COC(=O)CCCCCC#N)C(C)(C)C 869519586 OPXFLQKBPQAKOI-GFCCVEGCSA-N 239.359 3.686 30 20 BHED C=C1CC(c2noc(-c3ccc(F)cc3C)n2)C1 896884251 XMNBWLDGJJUCFV-UHFFFAOYSA-N 244.269 3.618 30 20 BHED CC(C)CC[C@@H](NCC1(C#N)CC1)c1ccoc1 903107053 ZPKAEQODNUBCJO-CQSZACIVSA-N 246.354 3.650 30 20 BHED CC(C)C[C@]1(C)CCCN1C[C@H](C)CCC#N 1474534841 JSOJMEDPNVSPCR-CABCVRRESA-N 236.403 3.827 30 20 BHED CCC[C@@H](Nc1ncccc1C#N)C(C)(C)C 1651864757 YZTOWDIRIJMFES-GFCCVEGCSA-N 231.343 3.580 30 20 BHED C=C(Cl)CNCc1ccc(F)c2ccccc12 1655691132 YKNCJAQRAPIINW-UHFFFAOYSA-N 249.716 3.821 30 20 BHED Cc1ccc(C)c(OCc2ccccc2C#N)c1 11834110 ZNNQUALMLFAQDF-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C[C@H](Nc1cccc(C#N)c1)c1cccc(C#N)c1 37203284 LWENEXLAHAPIOM-LBPRGKRZSA-N 247.301 3.603 30 20 BHED CC(C)(C)c1ccc(-c2cncc(C#N)c2)cc1 49828201 HSECZVRQEIVVCH-UHFFFAOYSA-N 236.318 3.918 30 20 BHED CC[C@H](C)CN(C)c1ccc(C#N)c(Cl)c1 61850839 NIELXUCYSZJAGI-JTQLQIEISA-N 236.746 3.694 30 20 BHED C[C@H]1CCC[C@H](C)N1CCCC(C)(C)C#N 87608441 PBRNZVUVYHMULH-STQMWFEESA-N 222.376 3.579 30 20 BHED C=CCCc1csc(COc2ccccc2)n1 90065503 NMMWNBJGTHDDJN-UHFFFAOYSA-N 245.347 3.841 30 20 BHED C=C(CN[C@H](C)CCCC)c1ccccc1 132308791 SYJWZGLDRGCUIG-CQSZACIVSA-N 217.356 3.868 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1cnc(C)s1 133077391 HSCNZUKKSSJHSL-MNOVXSKESA-N 238.400 3.847 30 20 BHED C=CCCC[C@@H](C)NC[C@@H]1C[C@H]2C=C[C@H]1C2 133581056 ASZKAZZSJQVQLT-QPSCCSFWSA-N 219.372 3.533 30 20 BHED CCCCCCCC(=O)N[C@H]1CC=CCC1 172480578 FPUMWNVYJAEYNA-ZDUSSCGKSA-N 223.360 3.572 30 20 BHED CC(C)C1(CN[C@H](C)c2ccc(C#N)cc2)CC1 176960534 MKUUAXOEIOPCNZ-CYBMUJFWSA-N 242.366 3.645 30 20 BHED C=C[C@](C)(CC)C(=O)NCc1ccc(C)cc1C 190138164 BSVPITRLZDJWIG-MRXNPFEDSA-N 245.366 3.522 30 20 BHED CC(C)=NNc1ccc(C(F)(F)F)cc1 198012816 SFJQFNJQEKNWTF-UHFFFAOYSA-N 216.206 3.513 30 20 BHED O=C(/C=C\c1ccc(F)cc1F)c1ccccc1 206086997 FRFZCZKLXOMYJZ-CLFYSBASSA-N 244.240 3.861 30 20 BHED Cc1ccc([C@H](C)NCC(C)(C)CCC#N)o1 229677691 YKINXLKWRHCGPF-LBPRGKRZSA-N 234.343 3.569 30 20 BHED CC(C)(C)CCCCNCc1cccc(C#N)c1 236605535 DMTHBBUOCGPGRX-UHFFFAOYSA-N 244.382 3.864 30 20 BHED C=CCCCC(=O)N[C@H](CC)c1ccccc1 267109497 QWCMXVLBEVLTDN-CQSZACIVSA-N 231.339 3.610 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccccc1C 292409557 YKIFWDVMWUWXQY-UHFFFAOYSA-N 217.312 3.536 30 20 BHED CCC#C[C@@H](C)N[C@H](C)c1ccccc1Cl 309829069 YBIKZJXOVVYSQY-VXGBXAGGSA-N 235.758 3.793 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1ccc(C#N)cc1 310890246 UFHCTBMPCAKXAF-ZDUSSCGKSA-N 242.366 3.811 30 20 BHED Cc1ncc(CSc2ccccc2C#N)s1 334232187 MNTPZQOGQAZIKI-UHFFFAOYSA-N 246.360 3.616 30 20 BHED CC(C)CCC(=O)CSc1ccc(C#N)cc1 342100085 QMOLHTOPGSDNJG-UHFFFAOYSA-N 247.363 3.656 30 20 BHED C=CCCCC(=O)N(CC)c1cccc(C)c1 360007029 MTZMBYUAEDJVLK-UHFFFAOYSA-N 231.339 3.704 30 20 BHED CC1(C)CC[C@@H](NCCCC#N)c2ccccc21 360882766 GUXVDYYZINTAGR-OAHLLOKOSA-N 242.366 3.692 30 20 BHED C=CCC(C)(C)CN[C@H]1CC[C@@H]1C1CCC1 378848675 CCMSFZKULFYLOY-KGLIPLIRSA-N 221.388 3.757 30 20 BHED C=CC(C)(C)CN[C@@H]1CCc2c(F)cccc21 384928583 HVDPCRVQQKFJBD-CQSZACIVSA-N 233.330 3.615 30 20 BHED N#C[C@H]1CC[C@@H](NCCCCC2CCCC2)C1 442769739 QOORJHBTZGSCBC-LSDHHAIUSA-N 234.387 3.629 30 20 BHED CCC[C@@H](NCCCCC#N)C1CCCC1 449130013 FKAJRECKVXUJRE-CQSZACIVSA-N 222.376 3.629 30 20 BHED C=CCC1(C(=O)Nc2ccsc2)CCCC1 449885840 UPNLMAWKCJLFKO-UHFFFAOYSA-N 235.352 3.823 30 20 BHED C=CC(C)(C)C(=O)NCCC1=CCCCCC1 450645439 CQFDRTGOWCTWJP-UHFFFAOYSA-N 235.371 3.595 30 20 BHED C=C[C@H](C)NCc1ccc(Oc2ccccc2)o1 503556802 GASKDAHYOZULTJ-LBPRGKRZSA-N 243.306 3.736 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@H]1CCC(C)=C(C)C1 518773228 DIEUBPHOIGKOEB-LSDHHAIUSA-N 247.382 3.690 30 20 BHED CC1=CCC[C@H](C)[C@H]1CN(CCC#N)C(C)C 527493061 JRXJPRQEROPWMY-GJZGRUSLSA-N 234.387 3.603 30 20 BHED FC(F)(F)c1ccc(C#Cc2ccccc2)nc1 585144990 RLWHKLJQZHXHID-UHFFFAOYSA-N 247.219 3.500 30 20 BHED Cc1cccc(CS[C@H](C#N)C2CC2)c1 601083653 JKWBCYLFJKSEBR-CYBMUJFWSA-N 217.337 3.530 30 20 BHED C=CC[C@@H](C)NC(=O)[C@H](CCCCC)C(C)C 755377962 APZRDSKLXWXOMV-ZIAGYGMSSA-N 239.403 3.920 30 20 BHED C=C[C@H](CC(=O)OC1CCCC1)c1ccccc1 759264584 WPHQKWRHUMPQGR-CYBMUJFWSA-N 244.334 3.832 30 20 BHED Clc1cccnc1NN=C[C@H]1C[C@H]2CC[C@H]1C2 762418732 SFKOFFAQQMMBTD-GARJFASQSA-N 249.745 3.569 30 20 BHED CCc1ccc(C=NNc2cccc(C#N)c2)cc1 767336797 UYDVXWZSOZVNGS-UHFFFAOYSA-N 249.317 3.567 30 20 BHED C[C@@H](NN=Cc1ccc(Cl)cc1)C(C)(C)C 793114663 MMPABFOUFWMUNP-SNVBAGLBSA-N 238.762 3.698 30 20 BHED CC[C@H](C)CON=C(C)c1sccc1OC 793159627 PQGGDQNEGLYXGJ-VIFPVBQESA-N 241.356 3.543 30 20 BHED CC(=NNc1ccc(F)cc1)c1cc(C)c(C)o1 799865556 RXMKEUGIXRAEBO-UHFFFAOYSA-N 246.285 3.872 30 20 BHED Cc1ccnc(NN=C2CCC[C@@H]2CCCF)c1 800813857 KQTBASIGLGRZKL-GFCCVEGCSA-N 249.333 3.708 30 20 BHED C[C@H]1CC(C)(C)CC1=NOC/C=C\Cl 811668222 LWOORZDWUVTLKZ-HYPTZURASA-N 215.724 3.568 30 20 BHED C=C(C)C(C)(C)C(=O)O[C@H](C)c1cnccc1C 820499013 IISQNJPNXBVISN-GFCCVEGCSA-N 247.338 3.597 30 20 BHED CCCCCCCC(=O)OCc1ccns1 847830659 NTZCOYPOBOWTAU-UHFFFAOYSA-N 241.356 3.547 30 20 BHED CC(C)c1ccc(N[C@H]2CCC[C@H](C#N)C2)cn1 903340659 XESHMJBQFKSJKV-STQMWFEESA-N 243.354 3.699 30 20 BHED C=C1CCC(c2nc(C(C)(C)C)no2)CC1 904349519 VPNSYMXFBXOHHY-UHFFFAOYSA-N 220.316 3.581 30 20 BHED CCCCCCCCCC(=O)N1CC[C@@H]1C 920465820 ZPUZMKOUGNICNM-ZDUSSCGKSA-N 225.376 3.748 30 20 BHED CCOc1ccc(Oc2ccc(C#N)cc2)cc1 19867886 NBVUVSJPHZPYAN-UHFFFAOYSA-N 239.274 3.749 30 20 BHED Cc1cccc(CSCCCCC#N)c1 54965724 QUHCVYCYIZUDFS-UHFFFAOYSA-N 219.353 3.922 30 20 BHED CC(C)(C#N)CCCOc1cccc(F)c1 57713434 BYVYMYCHKMUYSA-UHFFFAOYSA-N 221.275 3.534 30 20 BHED C=CCCN[C@H](C)c1cc(C)sc1C 70591983 HKTJUYHRERFBTQ-SNVBAGLBSA-N 209.358 3.592 30 20 BHED C=CCCOCCN[C@@H](C)c1ccc(C)c(C)c1 90883768 VKWQPQUVPCUXGQ-HNNXBMFYSA-N 247.382 3.547 30 20 BHED CC(C)CCSc1snc(Cl)c1C#N 92658515 YEFKNDRDHDCULW-UHFFFAOYSA-N 246.788 3.806 30 20 BHED C=CCCN[C@@H](CC)c1ccc(Cl)cc1 125393005 CGYPTOAYPHMEJL-ZDUSSCGKSA-N 223.747 3.957 30 20 BHED C=C(Cl)CN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 161733175 YZSGKEWVPBJFGK-JHJVBQTASA-N 227.779 3.687 30 20 BHED CCCCNc1ccc(C(F)(F)F)c(C#N)c1 163902368 RWTHRQXVMNGKAZ-UHFFFAOYSA-N 242.244 3.789 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(C)s1 168061672 JKEZCQUOIGYDEU-NSHDSACASA-N 209.358 3.673 30 20 BHED C#CCCCOc1cc(Cl)ccc1Cl 169034751 NMNOIRCMOJNEEE-UHFFFAOYSA-N 229.106 3.786 30 20 BHED N#CCCCCN[C@H]1CCc2cc(Cl)ccc21 178648744 DRUJBWUGCSNDBY-AWEZNQCLSA-N 248.757 3.611 30 20 BHED C=C[C@@](C)(CC)C(=O)N(C)Cc1ccc(C)cc1 189836667 MIOKGLGYDUQRQB-INIZCTEOSA-N 245.366 3.556 30 20 BHED C#CCCCNc1ccnc2cc(Cl)ccc12 230919988 ROOMKUQZIQMBDS-UHFFFAOYSA-N 244.725 3.714 30 20 BHED CC(C)c1ccc(CN(C)C(C)(C)C#N)cc1 258918862 ZYDVXDKORQYDNL-UHFFFAOYSA-N 230.355 3.544 30 20 BHED C=CCC(CC=C)C(=O)N(CCC)C(C)(C)C 268415640 KCTLGDXYUMHSJI-UHFFFAOYSA-N 237.387 3.792 30 20 BHED C=CC(C)(C)C(=O)Nc1cc(Cl)ccc1F 297781246 IUJDPVLCNKKPQO-UHFFFAOYSA-N 241.693 3.630 30 20 BHED CC(C)C[C@H](C)CNc1cccc(C#N)c1 300826041 BOAILVCDUKAHFC-LBPRGKRZSA-N 216.328 3.652 30 20 BHED C=CCSCCC(Cl)(Cl)Cl 306195349 ISPIHAZHGBYQCA-UHFFFAOYSA-N 219.564 3.666 30 20 BHED C#CCCCN[C@@H](C)CCC1CCCCC1 309793929 UYBOHQRMNLCCMG-AWEZNQCLSA-N 221.388 3.738 30 20 BHED C[C@H](S[C@@H]1CCCOC1)c1cccc(C#N)c1 335880549 ZCWJWZLLEQNCIH-SMDDNHRTSA-N 247.363 3.531 30 20 BHED Cc1ccc([C@H](C)N(C)CCCC#N)c(C)c1 340638929 YOGYXFBACPWLKH-AWEZNQCLSA-N 230.355 3.600 30 20 BHED Cc1ccc(C)c([C@H](C)N(C)CC2(C#N)CC2)c1 347497350 YTJFSBJFUHJLTN-AWEZNQCLSA-N 242.366 3.600 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccc(N(C)C)cc1 393756487 SQDCJWBURJHXMZ-ZFWWWQNUSA-N 246.398 3.758 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 393791277 ZCKOALYSDJVHCN-AAEUAGOBSA-N 248.326 3.600 30 20 BHED C=CCCCCN[C@@H](C)c1ccc(N(C)C)cc1 394045465 IMGRHJFEOBAPLK-AWEZNQCLSA-N 246.398 3.760 30 20 BHED C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[C@H]1C1CC1 412471404 HRBUFSZCISXFDR-IJEWVQPXSA-N 249.398 3.531 30 20 BHED N#Cc1ccccc1S[C@H]1C=CCCC1 439716897 JBSAWGLHNMUGJC-LBPRGKRZSA-N 215.321 3.759 30 20 BHED C=C(C)CNC(=O)c1cc2cccc(C)c2s1 515400276 HAPWWOXXSLJHKT-UHFFFAOYSA-N 245.347 3.516 30 20 BHED C[C@@H](N(C)CC#Cc1ccc(F)cc1)C(C)(C)C 533461329 IIJXSKMFELEXSK-CYBMUJFWSA-N 247.357 3.544 30 20 BHED C=CCC(C)(C)c1noc(C2CC(C)(C)C2)n1 551472101 NFXMRMJNDCZBKJ-UHFFFAOYSA-N 234.343 3.827 30 20 BHED C=CCOc1cccc(CNC(C)(C)C(C)C)c1 561476245 SFZWXBDJMLYZBW-UHFFFAOYSA-N 247.382 3.776 30 20 BHED CC#CCCSC[C@@H](CC)CC(F)F 596393791 KEASMKAOJLTBSZ-JTQLQIEISA-N 220.328 3.814 30 20 BHED C[C@@H](CCC#N)CN(C)[C@@H](C)c1ccccc1F 602442055 SNIWKZGZBQSFAZ-STQMWFEESA-N 248.345 3.758 30 20 BHED C=CCCN1CCS[C@H](C)[C@@H]1c1ccccc1 606898093 HLONWDIJGTWPBK-UKRRQHHQSA-N 247.407 3.741 30 20 BHED C=CCCCCN1CCC[C@@H]1c1ccccn1 649343008 HODHHCWDLKZPGB-OAHLLOKOSA-N 230.355 3.575 30 20 BHED C=CCCCOC(=O)[C@@H](CC)c1ccccc1 735523107 FHESLDFFAPCMGW-AWEZNQCLSA-N 232.323 3.690 30 20 BHED C#CCCOc1cc(C(F)(F)F)ccc1Cl 751754775 GNEMABIHDVHWSX-UHFFFAOYSA-N 248.631 3.761 30 20 BHED C#CCCN1CCCC[C@H]1c1ccc(F)cc1F 760860854 SLZIWNIOYYTZSJ-HNNXBMFYSA-N 249.304 3.515 30 20 BHED Cc1cc(C)c(NN=Cc2cncs2)c(C)c1 767789075 UMCYKYFHNRIJMB-UHFFFAOYSA-N 245.351 3.514 30 20 BHED CC(=NOCCC(F)(F)F)C1CCCC1 777460961 SKPYRWDFQMREOO-UHFFFAOYSA-N 223.238 3.522 30 20 BHED CC[C@H]1CCCC1=NN[C@H]1CCCC1(C)C 782288869 SQFGWXYSJMALGT-AAEUAGOBSA-N 222.376 3.721 30 20 BHED C=C[C@@H]1CCCCN1C(=O)CCCCCCC 785850767 AIMLWTVGIIGVPO-CQSZACIVSA-N 237.387 3.914 30 20 BHED C[C@H](NN=C1CCC(C)(C)C1)C(C)(C)C 793111715 LILPFBRUMKVTFD-JTQLQIEISA-N 210.365 3.577 30 20 BHED CC(C)(C)CCNN=C1CCC[C@H]1CCCF 800815939 UPHVXAVGGFGWBC-LBPRGKRZSA-N 242.382 3.918 30 20 BHED C#Cc1ccc(CN[C@H](C)CCCC=C)cc1 809631701 GSMGBMPQNSEZDN-CQSZACIVSA-N 227.351 3.502 30 20 BHED C=CCCCCCCCN[C@@H]1CC[C@H](C#N)C1 810242775 HIOIBCBIMMDSPS-LSDHHAIUSA-N 234.387 3.795 30 20 BHED CO[C@H](C)C(C)=NNc1c(C)cccc1C(C)C 812232790 MHHBJNFYIVCXHF-CYBMUJFWSA-N 248.370 3.941 30 20 BHED C#CCON=C(CCCCC)c1ccccc1 812232942 KLWCSLCESDNPPP-UHFFFAOYSA-N 229.323 3.621 30 20 BHED C[C@@H]1CCC(=NN[C@H](C)c2ccccc2)C1 814815799 HCYSSCXHUSNLCU-VXGBXAGGSA-N 216.328 3.513 30 20 BHED CC(C)ON=C(CC(F)(F)F)c1ccccc1 835004249 KEVGCHTZSVQOSP-UHFFFAOYSA-N 245.244 3.768 30 20 BHED C[C@H](OC(=O)C1=CCC(C)(C)CC1)C(C)(C)C#N 835246457 VVNGEJZGJOPQNQ-NSHDSACASA-N 249.354 3.604 30 20 BHED C=C(C)CCNC(=S)Nc1ccc(CC)cc1 840792935 PGHHCQUENWLSOI-UHFFFAOYSA-N 248.395 3.502 30 20 BHED CC(C)(C#N)[C@H]1CCCC1=NOCC1CCC1 853441024 NEIMMDVAKAIQIV-LBPRGKRZSA-N 234.343 3.509 30 20 BHED C=CCCC(C)(C)NC(=O)/C=C\c1cccs1 856375091 ONHWFMSDDBQIFZ-HJWRWDBZSA-N 249.379 3.622 30 20 BHED CON=C(C)CCc1cccc(C(F)(F)F)c1 920371350 IFMUCWXVLXSEEE-UHFFFAOYSA-N 245.244 3.660 30 20 BHED CCC(Cc1ccccc1)=NOC(C)(C)C 1253788280 DDNDWYOYZXWUGN-UHFFFAOYSA-N 219.328 3.810 30 20 BHED C#C[C@H](N[C@@H](C)Cc1ccccc1Cl)C(C)C 1327401930 DIQGMATZSOXRTA-WFASDCNBSA-N 249.785 3.518 30 20 BHED C#CCCCCC(=O)N[C@H](CCC)C(C)(C)C 1328064608 MBACVUPARDBEFI-CYBMUJFWSA-N 237.387 3.511 30 20 BHED C=C(Cl)CN(CC(C)C)c1ccccc1 1617814243 TVOGHACKKVNLAG-UHFFFAOYSA-N 223.747 3.902 30 20 BHED C[C@H](CN1CCC[C@](C)(C#N)C1)C1CCCCC1 1653856068 YQYRYBSDLOBEMH-GDBMZVCRSA-N 248.414 3.828 30 20 BHED CC1(C)CCC(NCc2cccc(C#N)c2)CC1 79627066 GUFJSJHTMVSSQW-UHFFFAOYSA-N 242.366 3.617 30 20 BHED CCCCC[C@@H](C)NCc1cc(C#N)cs1 86500101 YKWVOESDFXNEKW-LLVKDONJSA-N 236.384 3.678 30 20 BHED C=CCC[C@H](C)N[C@H](C)c1ccccc1 96033671 PMIZJBZWVQJHJJ-QWHCGFSZSA-N 203.329 3.692 30 20 BHED O=C(/C=C\c1ccc(Cl)s1)c1ccco1 98059354 FKOSHNCMYKINRC-HYXAFXHYSA-N 238.695 3.891 30 20 BHED C=CC[C@@H](C)NC(=O)[C@H](C)CC1CCCCC1 116853455 HODZSJOBWSWAOZ-CHWSQXEVSA-N 237.387 3.674 30 20 BHED C=CCC[C@@H](NCc1ccc(C)s1)C1CC1 125292361 BETYEQCZNQYBLR-CQSZACIVSA-N 235.396 3.891 30 20 BHED CC(=O)c1ccc(NCCCC(C)(C)C#N)cc1 133626285 CPBISCBEUVYHAX-UHFFFAOYSA-N 244.338 3.631 30 20 BHED N#CCCNc1ccc(NC2CCCCC2)cc1 140491976 DAWYWHCCRHVXAG-UHFFFAOYSA-N 243.354 3.757 30 20 BHED CC#CCCCC(=O)N1CCC[C@](C)(CCC)C1 185729692 FOGOIMDDWHGOEA-INIZCTEOSA-N 249.398 3.609 30 20 BHED C=C(Cl)CN1CCC(c2ccsc2)CC1 186924309 YIDDXLUDEAQGDJ-UHFFFAOYSA-N 241.787 3.680 30 20 BHED N#CCCSCc1ccc(C(F)(F)F)cc1 279896790 IPZFILPIRRNSDT-UHFFFAOYSA-N 245.269 3.852 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(C#N)c(F)c1 281585820 LLTIQFBPIZVMKM-SMDDNHRTSA-N 246.329 3.703 30 20 BHED CC(=O)c1ccc(NCCC(C)(C)C#N)cc1C 288762097 SOSWXTGRYNFTNP-UHFFFAOYSA-N 244.338 3.549 30 20 BHED C=CCCOc1c(Cl)cccc1Cl 303746578 AQQRIKQJTSQVSX-UHFFFAOYSA-N 217.095 3.948 30 20 BHED C[C@H]1CCCC[C@]1(C)NCCCC(C)(C)C#N 308697798 GRCAUDFVWRJUEG-ZFWWWQNUSA-N 236.403 3.875 30 20 BHED C=C(Cl)CNCc1ccc(C2CCC2)cc1 382115676 LYIKVHPAHLIXME-UHFFFAOYSA-N 235.758 3.796 30 20 BHED C=CCN(C)Cc1ccc(-c2ccccc2)o1 428389244 PRCMJCFIVLPGBD-UHFFFAOYSA-N 227.307 3.564 30 20 BHED C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 448905416 APAFWVJIERTKGV-CHWSQXEVSA-N 237.387 3.530 30 20 BHED C=CCC1(C(=O)N2CC=C(C)CC2)CCCCC1 450237333 LLZWZTXUFREHLR-UHFFFAOYSA-N 247.382 3.692 30 20 BHED C=C(C)CCN[C@H](C)c1cc(C)c(C)o1 453310643 FXJPBKOXCRYHND-LLVKDONJSA-N 207.317 3.513 30 20 BHED C=CCCCC(=O)N1CCC[C@@H]1CCCCC 489300043 UIRUEIDHJOIIHO-AWEZNQCLSA-N 237.387 3.914 30 20 BHED C=CC1CCN(Cc2cc(C)cc(C)c2)CC1 522081440 DVQHNVGPJVVQKL-UHFFFAOYSA-N 229.367 3.701 30 20 BHED C=C(CC)CN[C@H](c1ncccc1C)C(C)C 536906960 YVJGINOUYRNFDY-AWEZNQCLSA-N 232.371 3.643 30 20 BHED C=C(CC)CN(CCC(F)(F)F)CC1CC1 539104509 SFUIDPTXBUHTAS-UHFFFAOYSA-N 235.293 3.617 30 20 BHED C=CCC[C@@H](NCCc1ccccc1C)C1CC1 540160327 UIFVRQPDSDSGEA-QGZVFWFLSA-N 243.394 3.872 30 20 BHED C=CCC(C)(C)c1noc([C@@H]2CC=CC[C@H]2C)n1 556365293 RACAJMXKGUXELE-VXGBXAGGSA-N 246.354 3.993 30 20 BHED C=CCN(CCC#N)C[C@H](C)c1ccc(C)cc1 600162385 RZRCZDSQEZVQCU-HNNXBMFYSA-N 242.366 3.500 30 20 BHED C=C(Cl)CN(C1CC1)[C@H](C)[C@H](C)CC 729544223 BOKJFGHVLGIBAP-MWLCHTKSSA-N 215.768 3.638 30 20 BHED C[C@H]1CC(C)(C)CC1=NN[C@@H]1C[C@H]2CC[C@H]1C2 766029250 KBDLOOAWLXXHRZ-ZDEQEGDKSA-N 234.387 3.577 30 20 BHED C#CCCN[C@H](CC(C)C)c1ccccc1C 775405298 BOSGDWWCQMVUKF-MRXNPFEDSA-N 229.367 3.695 30 20 BHED C#CCCCCCC(=O)N1CCCC[C@H]1C(C)C 779949761 IUYMMVHABJXYSC-HNNXBMFYSA-N 249.398 3.607 30 20 BHED Cc1ccc(C)c(C=NNCCC(C)(C)C)c1 782902746 IHZGJFFCDIIZAN-UHFFFAOYSA-N 232.371 3.663 30 20 BHED CSC1(C=NOC2CCCCC2)CCC1 800816185 DHSUNOLOXKHCCD-UHFFFAOYSA-N 227.373 3.607 30 20 BHED C#Cc1ccc(CNc2cc(F)cc(F)c2)cc1 809598378 LAYIKHMYIKDCNG-UHFFFAOYSA-N 243.256 3.558 30 20 BHED C#C[C@H](N[C@H](C)CCc1ccsc1)C(C)(C)C 809781249 LDCSROVEWQCFOF-OCCSQVGLSA-N 249.423 3.707 30 20 BHED C=C(C)CNc1ccc2c(c1)C(=O)CCCC2 817383314 NAAWJSABXCTDEN-UHFFFAOYSA-N 229.323 3.584 30 20 BHED C=CC(C)(C)C(=O)O[C@H](C)c1ccc(F)cc1 835106906 WBKUXHAMRJFOGC-SNVBAGLBSA-N 236.286 3.642 30 20 BHED C[C@@H](CCC#N)Sc1ncc(Cl)s1 849999914 BZXPBSNNAWVMRQ-LURJTMIESA-N 232.761 3.581 30 20 BHED CCc1nc(C)cn1CCCCC1(C#N)CCC1 901589399 ITQNIDFBLXSTPU-UHFFFAOYSA-N 245.370 3.618 30 20 BHED C[C@@H](C/N=C/c1cc(Cl)ccc1O)C1CC1 920177287 FOKSQXBJCKYWIA-HVIDBACLSA-N 237.730 3.511 30 20 BHED C[C@@H](CCC#N)CNC[C@@H]1CCCC(C)(C)C1 1560889004 LCQMNBPXRIMSAA-UONOGXRCSA-N 236.403 3.732 30 20 BHED N#CCCN[C@@H]1CCCC[C@@H]1C1CCCCC1 35009891 ZHAHILHATLIGPI-HUUCEWRRSA-N 234.387 3.629 30 20 BHED C[C@@H](NC[C@@H]1CC=CCC1)c1cccc(C#N)c1 45629219 BAISLEUPNYYHFO-ZIAGYGMSSA-N 240.350 3.565 30 20 BHED CCC1CCC(N(CCCC#N)C2CC2)CC1 52103672 ZYRNINCZKPOSGZ-UHFFFAOYSA-N 234.387 3.723 30 20 BHED CCCCCCCN[C@H](C)c1cccnc1 59090624 BVLGPVNUAFCFAE-CYBMUJFWSA-N 220.360 3.703 30 20 BHED Cc1cc([C@@H](C)NCC2(CC#N)CC2)c(C)s1 88249750 JRPIZPJOQIYUAZ-LLVKDONJSA-N 248.395 3.709 30 20 BHED C=C(C)CSc1ncc(C(C)(C)C)o1 130350159 JTAQUAJIEDLXRU-UHFFFAOYSA-N 211.330 3.640 30 20 BHED CC(C)(CCC#N)CNc1cc(F)cc(F)c1 157486505 OHKWXSDJPOQNKM-UHFFFAOYSA-N 238.281 3.707 30 20 BHED Cc1nsc(N[C@@H]2CCCC(C)(C)C2)c1C#N 167064188 JMXVXEBEWQJMIS-SNVBAGLBSA-N 249.383 3.704 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cc(F)c(F)c(F)c1 180953044 KZKFRGRPOUZMGU-RKDXNWHRSA-N 243.272 3.719 30 20 BHED C#CCCCCN[C@H](C)CCc1cccc(C)c1 222290810 VPYHOIDKJNNWPB-MRXNPFEDSA-N 243.394 3.709 30 20 BHED C=CC[C@@H](C)NC[C@H](c1ccccc1)C(C)C 232724336 QJTKMLMOMWPKHF-ZBFHGGJFSA-N 231.383 3.980 30 20 BHED Cc1ccc(C(=O)/C=C\c2scnc2C)s1 255725262 HROMWOFHEUBTMT-XQRVVYSFSA-N 249.360 3.718 30 20 BHED C=CCCCCCNc1ccc(COC)cc1 302071237 WTHGVUIJPXJDLP-UHFFFAOYSA-N 233.355 3.991 30 20 BHED C=CC[C@H](C)NCCc1ccc(F)cc1Cl 309368063 PXFXQEFQJRCCCJ-JTQLQIEISA-N 241.737 3.576 30 20 BHED Cc1cc(C)cc(Nc2ccc(C#N)c(C)n2)c1 310867945 FBKLAATUGIYCLM-UHFFFAOYSA-N 237.306 3.622 30 20 BHED N#CCCN1CC2(CCCC2)[C@@H]1c1ccccc1 335220966 XWHGTNJVOWWBPL-HNNXBMFYSA-N 240.350 3.517 30 20 BHED C=CCCCCNCc1ccc2[nH]ccc2c1 383787193 KYCWPGLGPIGOBW-UHFFFAOYSA-N 228.339 3.614 30 20 BHED C=CC[C@@H](CC)N[C@@H](CC)c1ccccc1O 393776770 YIQDCSLBBRXFEX-OCCSQVGLSA-N 233.355 3.788 30 20 BHED C=CCC(C)(C)C(=O)N1C[C@@H](C)CCC[C@@H]1C 410520278 XXCBIMBAICKDSP-STQMWFEESA-N 237.387 3.626 30 20 BHED C[C@H](CCC#N)N[C@H](C)c1ccc(C2CC2)cc1 419341248 ODNQSUHZDFRMDV-CHWSQXEVSA-N 242.366 3.907 30 20 BHED C=CCCCC(=O)Nc1ccccc1C(F)F 425067435 BIHZTEAZMVICDG-UHFFFAOYSA-N 239.265 3.919 30 20 BHED C=CC[C@@H](C)[C@@H](C)Nc1cccc(CC#N)c1 449704079 VGZCSJIUGXUDJU-CHWSQXEVSA-N 228.339 3.765 30 20 BHED N#CC1(CN(CC2CC2)c2ccccc2)CCC1 450584596 XFISLVUSFMHVNF-UHFFFAOYSA-N 240.350 3.597 30 20 BHED N#CCc1ccc(NCC2CCC2)c(Cl)c1 453130651 OWWJZYGNHRFBSU-UHFFFAOYSA-N 234.730 3.618 30 20 BHED C=CCC[C@H](CC)N[C@H](C)Cc1cccc(O)c1 462113174 RBPLQDDPCBQXEO-HIFRSBDPSA-N 247.382 3.658 30 20 BHED C=C[C@H](C)NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 465105129 WMUPOHWSXNNPAV-AGIUHOORSA-N 237.387 3.530 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@H]1CCC(C)(C)C1 490040606 QIHVRGCCUXCWCQ-GFCCVEGCSA-N 237.387 3.531 30 20 BHED CC(C)C1CCC(CNCCCCC#N)CC1 512132799 SRTHAHOHNTXDNA-UHFFFAOYSA-N 236.403 3.732 30 20 BHED C=CCC[C@H](NC[C@@H]1CC1(C)C)c1ccco1 513713090 KBVCSFQMSRKDEE-STQMWFEESA-N 233.355 3.923 30 20 BHED CC(C)=CCSCCOc1ccccc1C#N 558086079 ZQISYTRFBLTHTO-UHFFFAOYSA-N 247.363 3.636 30 20 BHED C=C(C)CCc1noc([C@@H]2CCCC2(C)C)n1 558387632 OQVFHTMJIUMCDG-NSHDSACASA-N 234.343 3.872 30 20 BHED CC[C@H](C)[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 570439710 XNXNYYCTLWSILA-HWWQOWPSSA-N 242.366 3.570 30 20 BHED C=CC[C@@H](CC)NC(=O)c1c(C)cc(F)cc1C 614396704 PWICPCXSHNIOHT-CYBMUJFWSA-N 249.329 3.527 30 20 BHED C=C(C)CCNC1(c2cccc(OC)c2)CCC1 662110036 ZXKUKKJEWPUWFH-UHFFFAOYSA-N 245.366 3.630 30 20 BHED C[C@H](CC(C)(C)C#N)NC1CCCCCC1 695819613 UJXSEUVAUDVZRI-GFCCVEGCSA-N 222.376 3.627 30 20 BHED C[C@@H]1C[C@@H]1c1ccc(C=NNc2ccccc2)o1 732763445 YJMZHMWKQXSCFR-RISCZKNCSA-N 240.306 3.849 30 20 BHED CCC(CC)NN=Cc1ccc([C@H]2C[C@@H]2C)o1 734364865 IWQZGNAKHMBLNN-GWCFXTLKSA-N 234.343 3.515 30 20 BHED C=CCCCOC(=O)C[C@H]1CCC[C@@H](C)C1 735535664 XSYWEENQTLZEEM-OLZOCXBDSA-N 224.344 3.712 30 20 BHED CCCCCC(CCCCC)=Nn1cnnc1 743419320 SOYHVOCWPCNTEG-UHFFFAOYSA-N 236.363 3.643 30 20 BHED C=C(C)CCOC(=O)C(C)(C)c1ccc(C)cc1 744304966 LITLGEFBFJARJE-UHFFFAOYSA-N 246.350 3.782 30 20 BHED CC(C)c1ncc(/C=C\C(=O)c2ccco2)s1 769769865 DFNUVYRNKRULJD-WAYWQWQTSA-N 247.319 3.756 30 20 BHED CC(C)[C@@H]1CC(=NOC2CCCCC2)CCO1 777456944 IZWKPBCSTKJMKC-AWEZNQCLSA-N 239.359 3.527 30 20 BHED C=C1CCN([C@H]2CCc3cc(Cl)ccc32)CC1 782182352 BSGOPWYJVVBEHE-HNNXBMFYSA-N 247.769 3.979 30 20 BHED CC(C)CON=C1CCC[C@@H]1CCCF 800813974 FOZHDYCYWINLNQ-LLVKDONJSA-N 215.312 3.565 30 20 BHED C/C(C=NOC/C=C\Cl)=C\c1ccccc1 811668031 JXEPYENGWSKTDP-KMZHABHUSA-N 235.714 3.845 30 20 BHED C=CCC1(C(=O)OCCC(C)(C)C#N)CCCC1 838285896 YKFGAKNHKDEHNE-UHFFFAOYSA-N 249.354 3.606 30 20 BHED CCC[C@H]1CCCC[C@H]1OC(=O)CCCC#N 851453492 RNSLHCUVSAJKAQ-QWHCGFSZSA-N 237.343 3.582 30 20 BHED C=C(Cl)COc1cccc2c1OC(C)(C)C2 916609463 LYTSFTZUVQHOCD-UHFFFAOYSA-N 238.714 3.531 30 20 BHED C=C[C@@H](CC)CC(=O)N1CCC[C@H]1C(C)(C)C 931987090 APMACTJYAYOAQG-STQMWFEESA-N 237.387 3.626 30 20 BHED C=C(C)CCC(=O)N1CCC(C)(C(C)C)CC1 1120722212 PCGFBKFLQHUHGX-UHFFFAOYSA-N 237.387 3.627 30 20 BHED CSCC1CCC(=NOC(C)(C)C)CC1 1325319706 NWNIVMKQZYCMOO-UHFFFAOYSA-N 229.389 3.711 30 20 BHED C=C(CC)C(=O)N(CCC)Cc1ccccc1F 1347786997 RUGQQYYTDSPUEH-UHFFFAOYSA-N 249.329 3.531 30 20 BHED Cc1ccc(CSc2cc(C#N)ccn2)cc1 5930898 UHNGCFZXECEDBI-UHFFFAOYSA-N 240.331 3.554 30 20 BHED CC(C)N(Cc1ccccc1)CC1(CC#N)CC1 88259223 LFGHEEWSNVEIBH-UHFFFAOYSA-N 242.366 3.591 30 20 BHED C#CCCCCN[C@@H](C)c1ccc(SC)cc1 90398358 UYPGWGQMGUDZRI-ZDUSSCGKSA-N 247.407 3.863 30 20 BHED C=CCN(C(=O)CCC(C)C)c1ccccc1 97111507 SNMXYMYCFRBSMU-UHFFFAOYSA-N 231.339 3.642 30 20 BHED C[C@H]1C[C@@H](c2ccccc2)CN1CCCCC#N 115553343 KEHYHDSNJWJWQB-GOEBONIOSA-N 242.366 3.558 30 20 BHED C=CCN(C)[C@H](C)c1ncc(-c2ccccc2)o1 121294713 JBBBCTJLUGHWDD-GFCCVEGCSA-N 242.322 3.520 30 20 BHED Cc1ccc([C@@H]2[C@@H](C)CCCN2CCC#N)cc1 157695067 TWSINNPWIAAHTA-HOCLYGCPSA-N 242.366 3.682 30 20 BHED Cc1ccc2c(c1)[C@@H](NCCCCC#N)[C@@H](C)C2 180430142 LMFWQKHNSGIJMK-BBRMVZONSA-N 242.366 3.512 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@@H]1C=CCCC1 188980867 VOJNLFYWRBKIET-UONOGXRCSA-N 235.371 3.594 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cccc(SC)c1 189883008 AHIPXQVGVBZRPJ-AWEZNQCLSA-N 249.379 3.949 30 20 BHED C=CCCC(=O)O[C@@H](C)c1c(F)cccc1F 193762994 DTHAXYBEJNXBCQ-VIFPVBQESA-N 240.249 3.535 30 20 BHED Cc1ccc(C#N)c(N[C@H]2CCC[C@H](C)CC2)n1 227539243 YCVNDPSTUSTNAE-FZMZJTMJSA-N 243.354 3.642 30 20 BHED CC1(CNCc2ccc(C#N)s2)CCCCC1 229587851 YBJQFDZLGRKIAY-UHFFFAOYSA-N 248.395 3.680 30 20 BHED Cc1cccc([C@H](C)NCC(C)(C)CCC#N)c1 229699940 JEBAPCLXLVNZIT-AWEZNQCLSA-N 244.382 3.976 30 20 BHED C=CC[C@@H](C)N[C@H](CC)c1ccsc1 294427555 PBPARRZLDCJIII-ZYHUDNBSSA-N 209.358 3.753 30 20 BHED C=CC(C)(C)C(=O)Nc1cc(Cl)ccc1C 294537407 ZVIWHTDMWJKEHR-UHFFFAOYSA-N 237.730 3.799 30 20 BHED C=C(C)CNc1ccccc1CC(F)(F)F 309336017 AQFAGQFSHXUGSL-UHFFFAOYSA-N 229.245 3.779 30 20 BHED C=CCC[C@H](NCC1(C(C)C)CC1)C1CC1 309622007 PEZXIVDXEYRIDV-AWEZNQCLSA-N 221.388 3.757 30 20 BHED C=C[C@@H](C)N[C@@H](CC)c1cccc(Cl)c1O 310017290 LJOLSXQCODNBPA-SKDRFNHKSA-N 239.746 3.661 30 20 BHED C[C@H](CCC#N)N1CCC[C@H](C(C)(C)C)CC1 351267407 GSZXOSLBWNYDGL-KGLIPLIRSA-N 236.403 3.827 30 20 BHED C=C[C@@H](C)NC(=O)c1ccc(C2=CCCC2)cc1 355044134 VGVAHTJPAOYDES-GFCCVEGCSA-N 241.334 3.558 30 20 BHED C=C(CC)CN(Cc1ccco1)Cc1ccco1 358623162 GYZFOQZCMDLMSL-UHFFFAOYSA-N 245.322 3.841 30 20 BHED C=CCC1(C(=O)N2CCC(CC)(CC)C2)CCC1 358801852 HIUQSKFUQCDZQU-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CCC(C)(C)CNCc1ccc(C)cc1 380051282 VPKKSBUFHNSACD-UHFFFAOYSA-N 217.356 3.687 30 20 BHED C=CC[C@H](C)NCc1ccc(CCC)cc1 381469112 NPFTVXUSUOPCSU-ZDUSSCGKSA-N 217.356 3.693 30 20 BHED N#CCCSCc1sccc1Cl 413015495 STDFCIBAUNDXMF-UHFFFAOYSA-N 217.746 3.548 30 20 BHED N#C[C@H]1CC[C@@H](N2CCC3(CCCCC3)CC2)C1 429680225 SNVRFKQVIPHJNN-LSDHHAIUSA-N 246.398 3.725 30 20 BHED C=C1CCN(Cc2cccc(SCC)c2)CC1 473139022 NXHQIQGNCDMNJO-UHFFFAOYSA-N 247.407 3.951 30 20 BHED C=C[C@H]1CCCCN1CCCCC(F)(F)F 489452692 WTQXQQDCBOQHHJ-NSHDSACASA-N 235.293 3.760 30 20 BHED C=CCOc1ccc2cc(C(C)=O)ccc2c1 532846974 CSBJPERDWJJBET-UHFFFAOYSA-N 226.275 3.607 30 20 BHED C=C(CC)CSc1nc2ccccc2n1C 538014547 BNGWVKAKNIQLRQ-UHFFFAOYSA-N 232.352 3.632 30 20 BHED C=CCCN(Cc1ccc(C)c(C)c1)C1CC1 567800763 FTGIHVQTPGDGPZ-UHFFFAOYSA-N 229.367 3.844 30 20 BHED CC[C@@H](F)CSc1cccc(F)c1C#N 576837087 DFWBTPGFIHADEI-MRVPVSSYSA-N 227.279 3.538 30 20 BHED CC(C)CCC[C@@H](C)NC[C@@H](C)CCC#N 602504453 QEUZKMYUURSXPR-UONOGXRCSA-N 224.392 3.731 30 20 BHED C=CCC[C@@H](CCC)NCc1cccnc1C 624163030 ORJCJTMRUWNJBB-OAHLLOKOSA-N 232.371 3.615 30 20 BHED C=CCC1(NCc2cnc(C3CC3)o2)CCCC1 628342987 VDPCTCBIOQPVQB-UHFFFAOYSA-N 246.354 3.531 30 20 BHED C=CCC1(NCc2ccc(C)nc2C)CCCC1 661851801 FJQWZVCATNPBJP-UHFFFAOYSA-N 244.382 3.677 30 20 BHED C=C(CC)CN1CCc2cc(F)ccc2[C@@H]1C 678624745 PACABYVJMUGGPG-LBPRGKRZSA-N 233.330 3.711 30 20 BHED C[C@@H](CC(C)(C)C#N)N[C@H](C)CC(C)(C)C 695835909 IVLDXPZBSZIDQD-NEPJUHHUSA-N 224.392 3.729 30 20 BHED CCC[C@@H](N[C@@H](C)CC(C)(C)C#N)C1CCC1 695874225 VMGQGJKGJQDVSH-GXTWGEPZSA-N 236.403 3.873 30 20 BHED Cc1c(Cl)cccc1Oc1ncccc1C#N 702653984 LRCRVSBGYKGUMT-UHFFFAOYSA-N 244.681 3.707 30 20 BHED C=CCCCC(=O)Oc1cc(Cl)ccc1F 748672371 TWNYWSQXRJFJCF-UHFFFAOYSA-N 242.677 3.741 30 20 BHED CCCCCC=NNc1nc2ccccc2n1C 755648785 PEAOHKXSTHEZQM-UHFFFAOYSA-N 244.342 3.551 30 20 BHED CC[C@H]1CCCC1=NNc1ccc(F)cc1 758360475 WHGURMSRLFVWBE-JTQLQIEISA-N 220.291 3.804 30 20 BHED CC(C)O[C@H]1CC(=NNc2ccccc2)C1(C)C 764890820 CDRPIPVLOGBLIP-AWEZNQCLSA-N 246.354 3.678 30 20 BHED C=CCN(Cc1cccc(F)c1Cl)C(C)C 772174219 GEBRSCLLTUAISI-UHFFFAOYSA-N 241.737 3.876 30 20 BHED N#Cc1ccc(NCc2ccc(CF)cc2)cc1 777541693 ZOQOPSWAUYLMQX-UHFFFAOYSA-N 240.281 3.640 30 20 BHED CCC(CC)NN=C(C)C1CCC(F)(F)CC1 788715220 CTGDOPNKEKDARU-UHFFFAOYSA-N 246.345 3.966 30 20 BHED CC#CCCOc1cccc2c(C)cc(C)nc12 792734961 NLUXZDQRYZMKRD-UHFFFAOYSA-N 239.318 3.644 30 20 BHED CC[C@@H]1CCC1=NN[C@H](C)c1ccccc1 807967207 YMDWTIQLPLMPMA-VXGBXAGGSA-N 216.328 3.513 30 20 BHED C[C@@H]1C[C@@H]1c1ccc(C=NOC/C=C/Cl)o1 811668866 KXMDKPJNZVWFPK-XWVHUEPOSA-N 239.702 3.506 30 20 BHED C[C@@H]1CCC[C@H](C=NOC/C=C\Cl)C1 811671734 KEIUBRVLDKVMBI-MBDFQPISSA-N 215.724 3.568 30 20 BHED C(=NOCC1CC1)c1ccc(-c2ccccc2)o1 814243480 YNEVTLATGHXUQP-UHFFFAOYSA-N 241.290 3.707 30 20 BHED Cc1ccc(NN=C2CC[C@H]2C2CCC2)cc1 814687314 SSBMOGWLOJXGPK-AWEZNQCLSA-N 228.339 3.973 30 20 BHED C=CCCCCCCN[C@H](C)[C@@]1(C)CCCO1 815625724 KWBKMFHYDABDTN-HUUCEWRRSA-N 239.403 3.670 30 20 BHED CC(=NNc1ccc(C(C)C)cc1)[C@H]1CCCO1 835017967 DKLZMOALBHSWLO-OAHLLOKOSA-N 246.354 3.777 30 20 BHED CCCON=C/C(C)=C\c1ccccc1COC 842550455 GPNCBVLJTDIMTN-BQVBJWNASA-N 247.338 3.649 30 20 BHED C=CCCC[C@H](C)OC(=O)C1(C)CC(F)(F)C1 873441459 WYERKRUTTJDQKE-JTQLQIEISA-N 246.297 3.710 30 20 BHED CC(C)CSCCCOc1ccccc1C#N 37143741 CSSHFZMOLLMVDS-UHFFFAOYSA-N 249.379 3.716 30 20 BHED C[C@@H]1CC[C@@H](N[C@@H](CCC#N)c2ccccc2)C1 90665415 WBYPPNOBQWOHCW-BMFZPTHFSA-N 242.366 3.810 30 20 BHED Cc1ccc(C)c([C@H](C)NCC(C)(C)C#N)c1 122300994 GMOUKJDVNPNHFU-ZDUSSCGKSA-N 230.355 3.504 30 20 BHED C=CCCCOc1ccc(C(C)=O)cc1C 125080081 IRIXYSYTEKSBJG-UHFFFAOYSA-N 218.296 3.543 30 20 BHED N#Cc1ccc(/C=C/C(=O)c2ccccc2)s1 143505484 VYRFVCKYFBFJII-CMDGGOBGSA-N 239.299 3.516 30 20 BHED C=CCCSCc1csc([C@@H](C)OC)n1 177855983 HZNPEUPJFCDTOR-SECBINFHSA-N 243.397 3.660 30 20 BHED Cc1oc2ccccc2c1CNCCCCC#N 179004564 LEHKJKJPZNNIOI-UHFFFAOYSA-N 242.322 3.525 30 20 BHED C#CCCCCC(=O)Nc1ccccc1SC 179683736 UXKIAMPARYFHRD-UHFFFAOYSA-N 247.363 3.541 30 20 BHED C=C(Cl)CSCc1cccc(OC)c1 195746982 RVCIQFZTLZTWDH-UHFFFAOYSA-N 228.744 3.681 30 20 BHED CC(C)CC(C)(C)CNCc1cccc(C#N)c1 236661092 ZZXQNDVNRJPTKJ-UHFFFAOYSA-N 244.382 3.720 30 20 BHED C[C@@H](c1ccccc1)N1CCC(CCC#N)CC1 259703379 LJFZDMCHTYYBRY-AWEZNQCLSA-N 242.366 3.763 30 20 BHED C[C@@H](N[C@@H]1CCC1(C)C)c1ccc(C#N)c(F)c1 286883685 CNRDICRQVLDJCD-QMTHXVAHSA-N 246.329 3.537 30 20 BHED C=C[C@@H](C)Nc1ccnc2ccc(Cl)cc12 301608520 OUDCODWVALADGZ-SECBINFHSA-N 232.714 3.875 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H](CC)CC(F)(F)F 309716586 TYOQXHSPXUGWKJ-AXFHLTTASA-N 237.309 3.908 30 20 BHED Cc1cc([C@@H](C)NCC(C)(C)CCC#N)oc1C 348228119 OPTBTCCEWHQUGO-GFCCVEGCSA-N 248.370 3.877 30 20 BHED C=C(CC)CSCc1nc(C)sc1C 358638164 VMSSNRSFYFDUOO-UHFFFAOYSA-N 227.398 3.959 30 20 BHED C=CC(C)(C)CNC(=O)[C@@](C)(CC)CCC 452774977 NAZACJQBARFFBB-AWEZNQCLSA-N 225.376 3.531 30 20 BHED C=CCCC1(C(=O)N2CC[C@@H](C(C)(C)C)C2)CC1 476665343 NMFHBEIFIBRBAT-CYBMUJFWSA-N 249.398 3.627 30 20 BHED C=CCOCCCSCC1CCCC1 479587226 HMQDJTBBDOBMKG-UHFFFAOYSA-N 214.374 3.503 30 20 BHED C=C[C@@H]1CCCCN1C(=O)CCCC(C)(C)C 488878435 KAECRCOXIOHWDB-CYBMUJFWSA-N 237.387 3.770 30 20 BHED C=C(C)CSc1nc2cc(F)c(F)cc2[nH]1 514976782 CTZGWEXZVUWWKE-UHFFFAOYSA-N 240.278 3.509 30 20 BHED C=CCC[C@H](C)NCc1coc2ccccc12 556218063 QKYGJGXDZNNJQP-LBPRGKRZSA-N 229.323 3.877 30 20 BHED CC(C)(C#N)CCCOc1cccc2cnoc12 596283096 QULDQFFCAQCNOS-UHFFFAOYSA-N 244.294 3.537 30 20 BHED C[C@H]1CCCC[C@H]1CSCC1(C#N)CC1 596376092 FVFYZPAVQYMZAR-RYUDHWBXSA-N 223.385 3.850 30 20 BHED C=CC[C@H]1CCCN(CC(C)(C)CCC#N)C1 597189189 ZEFZIONRXFEGQU-AWEZNQCLSA-N 234.387 3.604 30 20 BHED C[C@H]1CCCC[C@H]1Sc1ccc(C#N)cn1 600520896 HPBFYJWWGGNIKS-CMPLNLGQSA-N 232.352 3.624 30 20 BHED CC[C@H](NC[C@@H](C)CCC#N)C1CCCCC1 602525615 GRPANHCWZBTWNW-ZFWWWQNUSA-N 236.403 3.875 30 20 BHED C[C@H](N[C@@H](C)C1CCC1)c1ccc(C#N)c(F)c1 611465884 CWVRKDMIYHREBZ-QWRGUYRKSA-N 246.329 3.537 30 20 BHED C=CCCNc1ccc(OC)cc1C(F)(F)F 740873345 PHPCCNZQZXRKLX-UHFFFAOYSA-N 245.244 3.702 30 20 BHED CC(C)CON=CCCCCOc1ccccc1 749625828 HPZOOPAXPMHCCC-UHFFFAOYSA-N 249.354 3.894 30 20 BHED C=CCCC(C)=NNc1cc(F)c(F)cc1F 758123583 PCAAXNIVFLUDMO-UHFFFAOYSA-N 242.244 3.858 30 20 BHED C#CCOc1ccc([C@H](C)NC(CC)CC)cc1 764486442 CHBZUUCVNJQIFA-ZDUSSCGKSA-N 245.366 3.538 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCc2cc(C)ccc21 798937778 VLIZSFZWCSDASC-GOEBONIOSA-N 229.367 3.927 30 20 BHED CCC(CC)NN=C(C)c1c(C)cc(C)cc1O 799880711 SIGARLRDLPLVHK-UHFFFAOYSA-N 248.370 3.511 30 20 BHED CC[C@@H](C)NN=C(C)c1c(F)cccc1Cl 807984766 VMEPQJJYMCLNML-MRVPVSSYSA-N 242.725 3.591 30 20 BHED CC(=NOC1CCC1)c1cnc2ccsc2c1 812235876 CNYWRIDQCYVUMK-UHFFFAOYSA-N 246.335 3.589 30 20 BHED CC[C@@H](C=NNc1ccccn1)c1ccccc1 814732004 SYISHDKWBIBLFF-ZDUSSCGKSA-N 239.322 3.673 30 20 BHED C=CCCCCCCN[C@H](C)c1cncnc1C 848550234 GXQVFRJAFOPVQU-CYBMUJFWSA-N 247.386 3.572 30 20 BHED C=CCN(C(=O)C=C1CCCCC1)C(C)(C)C 857650719 FFONXBLQHFFBBU-UHFFFAOYSA-N 235.371 3.690 30 20 BHED CN(C)c1ccc(CSCCCCC#N)cc1 1320879372 QECQNCYSHGOILX-UHFFFAOYSA-N 248.395 3.680 30 20 BHED Cc1cc(Sc2cccc(F)c2)ncc1C#N 1458233617 SDTOJHZCKSBMDG-UHFFFAOYSA-N 244.294 3.552 30 20 BHED N#C[C@H]1CC[C@@H](N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 1621404895 ZYSGJLNPZVNSDK-RFBLXINOSA-N 246.398 3.627 30 20 BHED O=C(/C=C\c1ccc(Cl)cc1)c1ccco1 33378798 JEWKNWKYSQMIEM-YVMONPNESA-N 232.666 3.829 30 20 BHED C[C@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)C1 37071289 BMONKAXVBXOGAL-SWLSCSKDSA-N 228.339 3.743 30 20 BHED C[C@H]1CCC[C@H](Sc2cc(C#N)ccn2)C1 54690668 IMEVGEZBPFZCAY-JQWIXIFHSA-N 232.352 3.624 30 20 BHED C=CCOc1cccc(NC(=O)[C@@H](C)CCC)c1 56998447 LXIIIPMTDKWEAG-LBPRGKRZSA-N 247.338 3.626 30 20 BHED Cc1ccc(C(=O)/C=C\c2ccsc2)o1 98054043 NSBJSAKJDXUGPW-ARJAWSKDSA-N 218.277 3.546 30 20 BHED C=CCCC(=O)N1CCCc2cccc(Cl)c21 103262820 KOGMHZXPNVMSOY-UHFFFAOYSA-N 249.741 3.585 30 20 BHED CCCCCCCC(=O)N1CC[C@H](CC)C1 131237562 OWOZIGAUHRIWPF-ZDUSSCGKSA-N 225.376 3.605 30 20 BHED C=CCCNCc1ccc(Cl)c(Cl)c1 168503741 OQQGHGIKNXROIT-UHFFFAOYSA-N 230.138 3.659 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H]1CCC[C@@H](C)C1 182592627 GDJDLDNLFIOQRM-RDBSUJKOSA-N 237.387 3.674 30 20 BHED Cc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1F 185752054 MOMWDUCHGQJQBD-NWDGAFQWSA-N 232.302 3.628 30 20 BHED CC#CCCCC(=O)N1CCC[C@H](C)[C@H]1CCC 185925686 UAKJLLVVGMQTBW-LSDHHAIUSA-N 249.398 3.607 30 20 BHED C=CCOc1cccc(NC(=O)/C(=C/C)CC)c1 190893257 GFJSYGHTOPIGFI-LFYBBSHMSA-N 245.322 3.546 30 20 BHED CC(C)c1nc(CSCCCC#N)cs1 190913659 LXAORNBVOSRMRY-UHFFFAOYSA-N 240.397 3.803 30 20 BHED Cc1ccc(F)c(N[C@@H]2CCC[C@@H](C#N)C2)c1 193105530 XKKHMCLBLJKEDJ-VXGBXAGGSA-N 232.302 3.628 30 20 BHED C=C(C)CN(C)[C@@H](C)CCc1ccccc1 194970537 MQBUWRHMMKFQLY-AWEZNQCLSA-N 217.356 3.516 30 20 BHED C=CCC[C@H](NCc1nccs1)c1ccco1 285998472 IMCAPVYKHUQFCN-NSHDSACASA-N 248.351 3.533 30 20 BHED C=CC[C@H](C)[C@@H](C)NCCCc1ncccc1C 295072819 RDUKJEQTIXPLML-DZGCQCFKSA-N 246.398 3.513 30 20 BHED C=CCCC(=O)N[C@H](CCC(C)C)C(C)(C)C 303656348 VLXGIMJMLXTXKC-CYBMUJFWSA-N 239.403 3.920 30 20 BHED Cc1cc(C#N)cc(NC2CCC(C)CC2)c1 308100598 GJUZDKGOQJAWHA-UHFFFAOYSA-N 228.339 3.857 30 20 BHED C=CCCC[C@H](C)N[C@@H]1CC=C(C)CC1 308822663 CMVLYOXFJJZQLR-UONOGXRCSA-N 207.361 3.820 30 20 BHED CSc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1C 336448077 AASSKMIIYLOBNW-VXGBXAGGSA-N 246.379 3.821 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1csc(C)n1 336739239 LBSCGFMHHGSMSM-WDEREUQCSA-N 238.400 3.847 30 20 BHED C/C=C/c1ccc(NC(=O)[C@@](C)(C#N)CC)cc1 360328539 ZYVHHNHCNBTTBO-CSPWOOARSA-N 242.322 3.598 30 20 BHED CC[C@H](NCC(C)(C)CC#N)c1ccsc1 414162883 HXCBNXSZTVBQJX-LBPRGKRZSA-N 236.384 3.729 30 20 BHED C[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)[C@@H](C)[C@@H]1C 419375510 RQOHSLGUGXSINP-YIYPIFLZSA-N 242.366 3.596 30 20 BHED C=CCC(C)(C)C(=O)NC[C@@H]1CCCC[C@H]1C 429891910 RWGYITKSHFPVSV-OLZOCXBDSA-N 237.387 3.531 30 20 BHED C=CCCCC[C@H](C)NCC(C)(C)C[C@H](C)O 449161349 OPXGOTVCICBGHL-KBPBESRZSA-N 241.419 3.508 30 20 BHED C=CCC(C)(C)CNC1CCC(C)(C#N)CC1 449338511 GYIWAMMVVKAUKC-UHFFFAOYSA-N 234.387 3.651 30 20 BHED C=C(CC)CNCC1CCC(C(F)(F)F)CC1 449732532 BNFMBSKZBBVTSG-UHFFFAOYSA-N 249.320 3.911 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(OCCC)cc1 450357364 KEYWJRAJYSAPHT-UHFFFAOYSA-N 247.338 3.626 30 20 BHED C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@@]1(CC)C(C)C 457268566 GQCFHGKTUAULRC-YDHLFZDLSA-N 237.387 3.530 30 20 BHED C=C(C)CN(C)[C@@H](CC)c1ccc(F)cc1F 481302163 UAPISYNAPMLKAC-AWEZNQCLSA-N 239.309 3.924 30 20 BHED C=CCCC1(C(=O)N(CC)CC(C)(C)C)CC1 485458346 VXZHIPUDYDMTNK-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CCCCc1nc([C@@H]2CCC[C@@H](C)C2)no1 545641352 XDURTDRUUSDLBG-VXGBXAGGSA-N 234.343 3.872 30 20 BHED C=CCN(C)[C@@H](C)c1ccc(C(C)C)cc1 548298667 HICORMOEDCZAEG-ZDUSSCGKSA-N 217.356 3.989 30 20 BHED C=CCCOc1ccc(/C=C\C)cc1OC 549935294 YNBZKRACBQPMQG-ALCCZGGFSA-N 218.296 3.683 30 20 BHED C[C@@H](CCC#N)CNc1cncc2ccccc12 602582840 YANRDGGGWCWGCH-LBPRGKRZSA-N 239.322 3.587 30 20 BHED C=C(C)CN(CC)C[C@H](C)c1ccccc1 604883997 VQFFXPNEZPZPAL-AWEZNQCLSA-N 217.356 3.688 30 20 BHED CC[C@H](CC(=O)Nc1ccc(C#N)cc1)C(C)C 609160949 SAGOLXVRHDJDBW-CYBMUJFWSA-N 244.338 3.569 30 20 BHED C[C@H]1CCCC1=NNc1cc(F)c(F)c(F)c1 747642868 WIVTYXGWLKFCDI-ZETCQYMHSA-N 242.244 3.692 30 20 BHED C=C(C)CCOC(=O)c1ccc(C)cc1Cl 755812970 XNODCWALOIVAPZ-UHFFFAOYSA-N 238.714 3.771 30 20 BHED CCCCCCCCN1CCC(C)(OC)CC1 775557959 MIHCYBIYRCVUHS-UHFFFAOYSA-N 241.419 3.848 30 20 BHED C=C1CCN([C@@H]2CCc3cc(Cl)ccc32)CC1 782182353 BSGOPWYJVVBEHE-OAHLLOKOSA-N 247.769 3.979 30 20 BHED CC(C)CCCNc1ccccc1O[C@H](C)C#N 783664887 OGTYPNMEXJXOOD-CYBMUJFWSA-N 246.354 3.826 30 20 BHED C=CCCCCCCCN[C@H]1CCO[C@@H](C)C1 810160896 XTMVGJNIKQHLBK-GJZGRUSLSA-N 239.403 3.670 30 20 BHED C=CCCCCSc1nccn1C1CC1 828968913 ASCBLDAQVVDHRC-UHFFFAOYSA-N 222.357 3.666 30 20 BHED CCCCCCCCCN(C)C(=O)CC1CC1 918397815 OJVARBUKQTXBSA-UHFFFAOYSA-N 239.403 3.996 30 20 BHED C=C[C@H](CC)CC(=O)Nc1ccc(F)cc1F 929182843 VCRHSWGUJHBERM-SECBINFHSA-N 239.265 3.506 30 20 BHED C[C@@H](N(C)CCCCC1(C#N)CCC1)C1(C)CC1 929816718 KZKIJXQPAQKBDC-CQSZACIVSA-N 248.414 3.971 30 20 BHED C[C@H]1CCN([C@H](C)CCC#N)CC12CCCCC2 1169542341 ZMUAIUBHGLPUCI-LSDHHAIUSA-N 248.414 3.971 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)CCCC 1337558371 PRLYKQYXHMSPQP-UONOGXRCSA-N 237.387 3.770 30 20 BHED CC1(C)CCC(CN2CCC[C@](C)(C#N)C2)CC1 1645005805 SVZJASWMXWMPCZ-MRXNPFEDSA-N 248.414 3.828 30 20 BHED C=CCNc1ccc(-c2ccccc2)cc1 2085871 MSPKQIXLYKQZDA-UHFFFAOYSA-N 209.292 3.952 30 20 BHED N#Cc1cccc(CSCc2ccccc2)c1 19847555 IGRUGMGKVAWNDM-UHFFFAOYSA-N 239.343 3.992 30 20 BHED C=C(CC)CN[C@@H](C)c1ccccc1C 85057979 JTEJMLHTXWUEQL-ZDUSSCGKSA-N 203.329 3.612 30 20 BHED C[C@@H]1CCCC[C@@H]1N(C)CCCC(C)(C)C#N 87608626 AJDPELFNPHZSKA-KGLIPLIRSA-N 236.403 3.827 30 20 BHED C=C(C)CN(CC)C(=O)Nc1ccc(C)c(C)c1 104969834 QSHIJTNJZIFYBU-UHFFFAOYSA-N 246.354 3.733 30 20 BHED C=C[C@H](C)N[C@H]1C[C@@H](C)c2c(C)cccc21 127890543 PVJKSTDMBWASLD-DYEKYZERSA-N 215.340 3.707 30 20 BHED N#CCC1(CNc2ccc(F)c(Cl)c2)CC1 131684569 WHCGMJDBMZURBE-UHFFFAOYSA-N 238.693 3.585 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCCOc2cc(F)ccc21 182139344 ZAOPQZBQLQAPNI-BXUZGUMPSA-N 249.329 3.594 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1ccc(C)s1 182628411 MCHIDQMTISNYNS-SNVBAGLBSA-N 237.368 3.531 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccccc1SC 191796338 OIXSGBXYOPFISN-AWEZNQCLSA-N 249.379 3.949 30 20 BHED C[C@H](Cc1ccsc1)Nc1cccc(C#N)c1 228595240 LLMBLJMYVCKNGI-LLVKDONJSA-N 242.347 3.663 30 20 BHED Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)c(Cl)c1 381556799 PIYXYPHTMDBURQ-GHMZBOCLSA-N 234.730 3.753 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1CC[C@@H](C)C1 389965114 XEUDVHPQXIROOI-HZSPNIEDSA-N 209.377 3.900 30 20 BHED CC(C)C[C@@H]1CCCN1Cc1cccc(C#N)c1 396932636 YVUDAOOUNBJNFT-INIZCTEOSA-N 242.366 3.569 30 20 BHED C=C[C@H](CC(=O)NC[C@@H](C)CC)c1ccccc1 421589590 JZBHPXYTAXLESN-UONOGXRCSA-N 245.366 3.509 30 20 BHED N#C[C@@H]1CC[C@H](Nc2ccc(F)c(C3CC3)c2)C1 442863947 FEFBUFVAMAIFNX-PWSUYJOCSA-N 244.313 3.807 30 20 BHED C=CCCCC[C@H](C)NCCC1(OC)CCC1 449341640 VGCYDHRMOMWWFS-AWEZNQCLSA-N 239.403 3.670 30 20 BHED Cc1cc(CSC2CCC2)ccc1C#N 450985061 HPXIRBUVUWCWTN-UHFFFAOYSA-N 217.337 3.652 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)CCCc1cccnc1 459632130 DSXOYMNYVPAIBB-CABCVRRESA-N 246.398 3.737 30 20 BHED C[C@H](NCC(C)(C)CC#N)[C@@H](C)c1ccccc1 459737990 XCNZCDDRTBYBOK-KGLIPLIRSA-N 244.382 3.708 30 20 BHED C=CCC(C)(C)C(=O)N1CCC[C@H]2CCCC[C@H]21 459879946 ZXICOHUZOKGNHC-ZIAGYGMSSA-N 249.398 3.770 30 20 BHED CC#CCCN1C[C@@H](c2ccccc2C)C[C@H]1C 462314079 NJTBNOMVSGUJPL-CVEARBPZSA-N 241.378 3.586 30 20 BHED CC#CCS[C@H](C)c1ccc(F)cc1 463258403 NOAMWPINFGXHDE-SNVBAGLBSA-N 208.301 3.643 30 20 BHED C=C(CC)CN1CC[C@H](C(F)(F)F)C1(C)C 469993315 SWDDZZPAGGULES-JTQLQIEISA-N 235.293 3.615 30 20 BHED C=CCCC[C@H](C)N[C@H]1CCC[C@H]1CCOC 502395741 XXAXMOSIQBWZHT-KKUMJFAQSA-N 239.403 3.526 30 20 BHED C[C@@H](F)CCSc1ccc(C#N)cc1F 505507641 SKOFTXSCVYIFNM-MRVPVSSYSA-N 227.279 3.538 30 20 BHED C=C(C)CCN(CC)CCc1ccccc1 509265734 VTSGMLZKVDMKPK-UHFFFAOYSA-N 217.356 3.517 30 20 BHED C=CC[C@H](C)NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 512738302 CWVHAWHIFBFSRL-ZQDZILKHSA-N 249.398 3.674 30 20 BHED C=C(C)CN1CCC[C@@H]1Cc1ccccc1Cl 517834428 IMDQERKOQSOZOE-CQSZACIVSA-N 249.785 3.923 30 20 BHED C=CCN(C(=O)CCCC1CCCCC1)C1CC1 540133703 HCJIEYUNUZOEHH-UHFFFAOYSA-N 249.398 3.914 30 20 BHED C=CC1CCN(C(=O)C[C@@H]2CCCC[C@@H]2C)CC1 599686267 VLGXXTPLZJFCPR-ZFWWWQNUSA-N 249.398 3.627 30 20 BHED C[C@@H](c1ccccc1F)N1CCC[C@@](C)(C#N)C1 612159529 CHWOHKPVVBDOHC-WFASDCNBSA-N 246.329 3.512 30 20 BHED CCCCCCCN[C@@H]1CCO[C@@H](C(C)C)C1 703742918 CXHCQDRIRGHFIS-HUUCEWRRSA-N 241.419 3.750 30 20 BHED CCC(=NNc1cccc2cnccc12)C1CC1 741164362 IGZRXMXANLEZIB-UHFFFAOYSA-N 239.322 3.823 30 20 BHED CCCCCCCCNC(=O)C1=CCCC1 754853691 JFZDVZRQQZTKOP-UHFFFAOYSA-N 223.360 3.573 30 20 BHED CCCCCCCCNC(=O)N(CC)C1CC1 755076926 DBXXCCPKTPREQK-UHFFFAOYSA-N 240.391 3.541 30 20 BHED CC(CCCC(C)C)=NO[C@H]1CCCCO1 755817304 YUQJEHDVNKYSKG-ZDUSSCGKSA-N 227.348 3.732 30 20 BHED C=CCC[C@@H](C)Nc1ccc2c(c1)C[C@@H](OC)C2 757872534 CVEQACRAOBWUFQ-WBMJQRKESA-N 245.366 3.567 30 20 BHED C#CCCCNc1ccc(C)cc1OCCC 766726490 VWIARLSAUHPRTD-UHFFFAOYSA-N 231.339 3.609 30 20 BHED CC[C@@H](C)CC(=O)OCCCCC(C)(C)C#N 768891404 GMDGRAUWQMYIPX-GFCCVEGCSA-N 239.359 3.686 30 20 BHED CSCCC=NNc1c(F)cccc1Cl 769829599 STIVVCULGRCKPX-UHFFFAOYSA-N 246.738 3.630 30 20 BHED CC(CSC(C)(C)C)=NOC1CCCC1 774603458 UIJOJBYMMVLXFA-UHFFFAOYSA-N 229.389 3.853 30 20 BHED C=CCCOC(=O)c1ccc(C(C)(F)F)cc1 796258224 VLNOUGIROVLLFS-UHFFFAOYSA-N 240.249 3.531 30 20 BHED CSc1ccccc1CC(C)=NOCC1CC1 814243811 OMGIVNIZYLKTNE-UHFFFAOYSA-N 249.379 3.754 30 20 BHED C=CC[C@@H](N[C@@H]1CC=C(C)CC1)c1ccncc1 816551705 LXQGVZZCKFNMTN-HZPDHXFCSA-N 242.366 3.787 30 20 BHED CCC(=NNc1ccc(OC)cc1)C1CCC1 834966663 RACDYDDIBMSCEK-UHFFFAOYSA-N 232.327 3.673 30 20 BHED CCC(=NNc1cc(Cl)ccn1)[C@H]1C[C@H]1C 841632163 BYERVHVGZOBLOF-SCZZXKLOSA-N 237.734 3.569 30 20 BHED C[C@@H](CCC#N)SCc1cccc(F)c1F 918860668 BKUJWVVGFOHIJT-VIFPVBQESA-N 241.306 3.890 30 20 BHED C[C@H]1CC(CCN2CCC[C@H](C#N)C2)C[C@H](C)C1 1197621812 LAIZHNSRMNZKIT-IIAWOOMASA-N 248.414 3.684 30 20 BHED CC(CCCCCCC(=O)O)=NOC(C)(C)C 1343882265 OKFNLDYXMCCMAE-UHFFFAOYSA-N 243.347 3.603 30 20 BHED Cc1cccc(/C=C\C(=O)c2ccc(C#N)cc2)c1 33676219 WNWNNFJAGPTXDS-YFHOEESVSA-N 247.297 3.763 30 20 BHED CCCC[C@H](CC)Nc1ccc(OCC#N)cc1 69370930 QQDDPAWTPFZUGK-ZDUSSCGKSA-N 246.354 3.970 30 20 BHED CC(C)[C@@H]1CCCN(CCC(C)(C)C#N)CC1 87595701 YMAJRBMPTBUEIY-CQSZACIVSA-N 236.403 3.684 30 20 BHED C=CCC(CC=C)C(=O)Nc1cccc(F)c1 120883419 CXQWBPJYCUGIHU-UHFFFAOYSA-N 233.286 3.533 30 20 BHED C=CCC[C@@H](C)NCc1cccc(OCC)c1 130554944 UNNQPSJURWUJNI-CYBMUJFWSA-N 233.355 3.530 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc(C)cc1C 161636199 AVGTXFSFJMKVJT-UONOGXRCSA-N 217.356 3.919 30 20 BHED CCCC1(CN[C@@H]2CCC[C@H](C#N)C2)CCC1 185857541 FCQZAXXAODKNEE-UONOGXRCSA-N 234.387 3.629 30 20 BHED C=CCN(CC=C)Cc1sccc1Cl 194299768 AJVCTRGLRZJNIK-UHFFFAOYSA-N 227.760 3.576 30 20 BHED C=CCC[C@H](C)N[C@@H]1CC[C@@H](C)[C@H](C)C1 252807551 IVYQEUQAWDULLY-YIYPIFLZSA-N 209.377 3.755 30 20 BHED CC[C@H](N[C@H](CCC#N)c1ccccc1)C1CC1 271525729 QDDOOLVVTVZLRL-JKSUJKDBSA-N 242.366 3.810 30 20 BHED CCN(Cc1ccccc1C)[C@H]1CC[C@H](C#N)C1 278627944 NYNANJDAPVSCOJ-HOCLYGCPSA-N 242.366 3.509 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)Cc1cccs1 309094836 DLIUQAOCYDTNRB-NWDGAFQWSA-N 223.385 3.623 30 20 BHED C=CCCCCN[C@H]1CCc2cc(F)ccc21 310215307 VTMKYVUAOZEOCI-HNNXBMFYSA-N 233.330 3.759 30 20 BHED CC(C)(CNc1cccc(C#N)n1)C1=CCCC1 312515361 KSFKKGOVSQDABA-UHFFFAOYSA-N 241.338 3.502 30 20 BHED C=C(CC)CN[C@](C)(CC)c1nc(C)cs1 336781012 SYYZDPMYFHGNJK-CYBMUJFWSA-N 238.400 3.633 30 20 BHED C=CCCC(=O)N1CCc2sccc2[C@@H]1CC 371523981 MIPPJBDEWRRRAA-LBPRGKRZSA-N 249.379 3.550 30 20 BHED CCCCCCC[C@@H](C)NCC1=CCCOC1 379744492 QHASWZALWAVWQH-CQSZACIVSA-N 239.403 3.672 30 20 BHED C=C(CC)CNc1ccc(Cl)c([N+](=O)[O-])c1 381454969 IAMRQWHHDQQSOS-UHFFFAOYSA-N 240.690 3.626 30 20 BHED CC(C)(CCC#N)CN[C@@H]1CC12CCCCC2 386906797 CCVHPKWCKYLYKP-CYBMUJFWSA-N 234.387 3.629 30 20 BHED C=CCCCCC[C@H](C)N[C@H]1CCSC1 389883296 PRTJTBONNHCZGB-STQMWFEESA-N 227.417 3.607 30 20 BHED C=C(CC)CNc1ccc2ccoc2c1 389910203 IUHVMORJCIXNBT-UHFFFAOYSA-N 201.269 3.811 30 20 BHED N#CCCN[C@H](CC1CCCC1)c1ccccc1 411478929 GAGIJLFPEUOROO-MRXNPFEDSA-N 242.366 3.811 30 20 BHED N#C[C@@H]1CC[C@H](N2CCC3(CCCCC3)CC2)C1 429680220 SNVRFKQVIPHJNN-CABCVRRESA-N 246.398 3.725 30 20 BHED C=C[C@](C)(CC)C(=O)NCCCC1CCCC1 467258532 HPOUVHNYJKCYMS-OAHLLOKOSA-N 237.387 3.675 30 20 BHED C=C[C@H]1CCCCN1Cc1ccc(SC)cc1 489506464 HDVWWKHNYKSWRR-AWEZNQCLSA-N 247.407 3.949 30 20 BHED C=CCN(Cc1cccc(C#N)c1)[C@@H](C)CCC 501114952 XCONWFRLFSSNAM-AWEZNQCLSA-N 242.366 3.735 30 20 BHED C=C1CCN(C(=O)C2(C)CCCCCC2)CC1 511531270 HYPIXFSNFQYONA-UHFFFAOYSA-N 235.371 3.526 30 20 BHED CC(C)(CC#N)CSc1cccc(C#N)c1 515501164 WYHBAWZFPKKRKG-UHFFFAOYSA-N 230.336 3.590 30 20 BHED C=CCOCCN(C(C)C)[C@H](C)c1ccccc1 559248672 XYERFSSEIUFSHW-OAHLLOKOSA-N 247.382 3.661 30 20 BHED CC[C@H](NCC1CCCC1)c1ccc(C#N)cc1 582161457 OEAOWAMKUAWOIW-INIZCTEOSA-N 242.366 3.789 30 20 BHED Cc1cc(C)cc(NC(=O)CCCCCC#N)c1 588146935 OMJDZWZQYXBZHE-UHFFFAOYSA-N 244.338 3.716 30 20 BHED C=CCCCN1CCC[C@H]1Cc1ccc(F)cc1 605150106 RDWBTGNUIXMSQG-INIZCTEOSA-N 247.357 3.799 30 20 BHED C=CCCN(C)c1cccc(OC(F)(F)F)c1 606897912 NBJXAFDYDZFPAA-UHFFFAOYSA-N 245.244 3.598 30 20 BHED CC#CCN1CCC[C@H]1c1ccccc1Cl 607724092 AJSULYBOOHOPAD-AWEZNQCLSA-N 233.742 3.500 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C)C1 617777049 HEPHVKHEHUUVDW-RRFJBIMHSA-N 249.398 3.627 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CS[C@H](C)C1 658033669 HRBMTGHLLXTRIL-MQYQWHSLSA-N 239.428 3.605 30 20 BHED CC(=NNCc1ccccc1)c1sccc1C 733746293 JBRGMEDOIXUMEA-UHFFFAOYSA-N 244.363 3.570 30 20 BHED CCc1csc(NN=C(C)c2ccccc2)n1 743051681 LMUDDYGFFZNRNI-UHFFFAOYSA-N 245.351 3.542 30 20 BHED C=CCCOC(=O)C[C@@H](C)CCCCC 744049294 MEEVJWCAEPNZOS-LBPRGKRZSA-N 212.333 3.712 30 20 BHED CC(=NNC1CCCC1)[C@H](C)c1ccccc1 746371527 YCFONYQSGCYBLQ-LBPRGKRZSA-N 230.355 3.698 30 20 BHED Cc1cc(F)ccc1NN=CCC(C)C 750938406 GYQWOIXIYMPSDU-UHFFFAOYSA-N 208.280 3.578 30 20 BHED C#CCCN1CCCC[C@@H]1c1ccc(C)cc1 760844214 NNUFBXRMZFSYKC-MRXNPFEDSA-N 227.351 3.545 30 20 BHED Clc1ccccc1CNN=C1CC2(CCC2)C1 772839709 GAUYTPVZKQXBIS-UHFFFAOYSA-N 248.757 3.750 30 20 BHED CCC(CC)NN=C1CC(c2cccc(F)c2)C1 781594064 AKDZQTKCVOMWQL-UHFFFAOYSA-N 248.345 3.837 30 20 BHED CC(C)(C)CC(=NO[C@H]1CCCCO1)C1CC1 787163003 NXMKLQZCGQCDIQ-ZDUSSCGKSA-N 239.359 3.732 30 20 BHED CC(CCC(C)C)=NNc1cccc(Cl)n1 793180849 BSFQJUGEZYYPEY-UHFFFAOYSA-N 239.750 3.959 30 20 BHED CC[C@H]1CC[C@H](C)CC1=NNc1ccccn1 797399896 IDKMZQMLFFAREF-RYUDHWBXSA-N 231.343 3.696 30 20 BHED CC[C@@H]1CC[C@H](C)CC1=NNC1CCCC1 797402453 BUOBSQRLNUVVSA-NWDGAFQWSA-N 222.376 3.721 30 20 BHED C#C[C@H](NC(=O)C1(C)CCCCCC1)C(C)(C)C 807880238 FQEVOBXHDBVCIK-ZDUSSCGKSA-N 249.398 3.511 30 20 BHED C[C@H](C=NOCCC1CC1)c1ccc(F)cc1 814245943 OZJXRRAXASGLJY-LLVKDONJSA-N 235.302 3.732 30 20 BHED Cc1sccc1C=NNc1cccc(F)c1 814815315 SSEVXSQWNGOIHO-UHFFFAOYSA-N 234.299 3.642 30 20 BHED C=C(C)CCN[C@H]1C[C@H](C)c2c(F)ccc(O)c21 834881926 GJCHHQZTEAPGME-JQWIXIFHSA-N 249.329 3.635 30 20 BHED CCC[C@@H](C=NNc1ccc(Cl)cc1)OC 834914339 OJGGEKAPRRQOTK-LBPRGKRZSA-N 240.734 3.553 30 20 BHED CC[C@@H](C)CC=NOCc1ccccc1 834938671 LCWTYCYRJFWRPD-GFCCVEGCSA-N 205.301 3.625 30 20 BHED Cc1ccc(C=NNc2ccc(F)cc2)cc1 916267991 CCZQCCKXVQIRGT-UHFFFAOYSA-N 228.270 3.580 30 20 BHED C[C@@H]1CCCC(=NNc2ncccc2Cl)C1 917549212 KOTQBRZVBHFEPE-SECBINFHSA-N 237.734 3.713 30 20 BHED Cc1ccsc1C=NNc1cccc(F)c1 920384376 SNWVFJYEKPODBD-UHFFFAOYSA-N 234.299 3.642 30 20 BHED C=CCC[C@@H](CC)Nc1ccc(OCC#N)cc1 1321154246 ONFXRZDWVIZEBI-CYBMUJFWSA-N 244.338 3.746 30 20 BHED C=C(C)CCC(=O)Nc1ccccc1SC 1346479884 XQFSJTXGLXHNGT-UHFFFAOYSA-N 235.352 3.703 30 20 BHED CCCC(CCC)Sc1cc(C#N)nc(C)n1 1458132678 PWVVDZDSGROLGY-UHFFFAOYSA-N 249.383 3.718 30 20 BHED O=[N+]([O-])c1ccccc1NN=C1CCCCCC1 6673468 ZDUYMMSOHOFSGW-UHFFFAOYSA-N 247.298 3.717 30 20 BHED CCCCSCc1ccc(C#N)cc1F 35175812 HKWIFFRKESUGKK-UHFFFAOYSA-N 223.316 3.731 30 20 BHED N#Cc1cc(Cl)ccc1NC1CCCCC1 39042071 PNMLPRBEQGLTTO-UHFFFAOYSA-N 234.730 3.956 30 20 BHED CC[C@@H](c1ccccc1)[C@H]1CCCN1CCC#N 69679580 DCEFVGSTDBKCAM-JKSUJKDBSA-N 242.366 3.558 30 20 BHED CCCCCCCn1cc(Br)cn1 104682721 LORZPICCRXYFQF-UHFFFAOYSA-N 245.164 3.616 30 20 BHED C=CCCCSCc1nnc(C(C)(C)C)o1 125629904 YGQDEDMNKBRWOE-UHFFFAOYSA-N 240.372 3.567 30 20 BHED N#Cc1cccc(CSc2cccc(O)c2)c1 130889128 CUKRBAZXCCOPEB-UHFFFAOYSA-N 241.315 3.556 30 20 BHED C=C(C)CNc1ccc(F)c(Br)c1 133002141 SBUSSTJKXWHYBQ-UHFFFAOYSA-N 244.107 3.576 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cnc2ccsc2c1 157275681 NRLDGVBYPVNNQH-UWVGGRQHSA-N 232.352 3.521 30 20 BHED C=CC[C@H](C)N[C@H]1CCCc2sccc21 161649350 HQLCSBPLHPDACU-JQWIXIFHSA-N 221.369 3.680 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cccc2[nH]ccc12 187931517 PVTABURWVSMJRD-OAHLLOKOSA-N 242.322 3.709 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc(C)c(O)c1C 188787953 YOSODWQAYVOQBG-OAHLLOKOSA-N 247.338 3.550 30 20 BHED N#Cc1cccc(CNCCCC2CCCC2)c1 220721882 BAPDZVQYTVFSII-UHFFFAOYSA-N 242.366 3.618 30 20 BHED C=CCCCNc1cc(F)ccc1Cl 226151042 WORCERLNEIVEBZ-UHFFFAOYSA-N 213.683 3.857 30 20 BHED C=CCC[C@H](NCc1ccoc1)c1ccco1 285511874 ARGWWZWFZHTKAF-ZDUSSCGKSA-N 231.295 3.670 30 20 BHED C=C[C@H](C)Nc1cc(C(C)C)nc(C(C)C)n1 301847980 CEWNSOFBPVWNJO-NSHDSACASA-N 233.359 3.710 30 20 BHED C=C(Cl)CN[C@@H](C)c1ccc(F)c(C)c1 308994677 MCVWUPDTJXPUPW-JTQLQIEISA-N 227.710 3.537 30 20 BHED C=CCC[C@H](CC)NC[C@H]1CCCCS1 309175319 MLYDGMDRQXQSNS-QWHCGFSZSA-N 227.417 3.607 30 20 BHED C=C(C)C(C)(C)c1nc([C@H](C)SCC)no1 424344318 BZMXUCXBHILOCA-VIFPVBQESA-N 240.372 3.737 30 20 BHED C=CCC[C@H](CCC)N[C@H]1C[C@H](C)n2ccnc21 449573665 ROIULVKWVCFYLF-IHRRRGAJSA-N 247.386 3.613 30 20 BHED C=CCCCCNC(=O)[C@H](CC)CC(C)C 450699181 XIJLNJORRRBYRJ-CYBMUJFWSA-N 225.376 3.531 30 20 BHED C=CCC(C)(C)C(=O)N(C)[C@@H]1CCC[C@H](C)C1 459979850 YSYDFBPBVDKIEM-QWHCGFSZSA-N 237.387 3.626 30 20 BHED C=C[C@H]1CCCCN1CCCCC(C)(C)C#N 489436543 NJBNMBFNNRNVIV-AWEZNQCLSA-N 234.387 3.747 30 20 BHED C=CCCCN(CC)[C@H](C)Cc1ccsc1 495192314 IKAXZGCJTXFHSU-CYBMUJFWSA-N 237.412 3.967 30 20 BHED C=CCCC[C@H](C)NC(=O)CC(C)(C)C1CC1 497935004 CPBDAFOSOOKWTI-LBPRGKRZSA-N 237.387 3.674 30 20 BHED C=C(C)CCN1CCC(c2ccc(O)cc2)CC1 509361332 ZMQLXTOJHSJPJC-UHFFFAOYSA-N 245.366 3.538 30 20 BHED C=CCC[C@@H](CC)N[C@@H](C)c1ccc(C#N)cc1 531695426 TUOQJKMMCJKCND-XJKSGUPXSA-N 242.366 3.954 30 20 BHED C=C(CC)CN1CC[C@H](Cc2ccccc2)C1 538002802 OZKRZOZSUGTLRR-MRXNPFEDSA-N 229.367 3.517 30 20 BHED CC[C@H](C)[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 540707347 VSXFBWKZZNWPFU-QJPTWQEYSA-N 248.345 3.783 30 20 BHED C[C@@H](CC1CCCCC1)CN(C)[C@H](C)CC#N 544606406 RNSNDRQYHMFLIS-UONOGXRCSA-N 236.403 3.827 30 20 BHED C=CCCCN[C@@H](C)c1cc(F)c(F)c(F)c1 557508073 JHHTYEQQUDXZBY-VIFPVBQESA-N 243.272 3.721 30 20 BHED C=C[C@H]1CCCCN1Cc1sccc1Cl 558827251 UQPFZCPFQSADDV-JTQLQIEISA-N 241.787 3.942 30 20 BHED C=CC[C@@H](CC)Nc1ccnc2nc(C)ccc12 583017521 BCCDXOIYAPFKLJ-GFCCVEGCSA-N 241.338 3.705 30 20 BHED C[C@@H](SCCC(C)(C)O)c1cccc(C#N)c1 583574811 KCXNBBWMYVZALK-LLVKDONJSA-N 249.379 3.513 30 20 BHED Cc1ccc([C@H](C)CN(C)CC(C)(C)C#N)cc1 600169603 OABMFECPHHHAJR-CQSZACIVSA-N 244.382 3.580 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 627519088 GIXGPZVGVIZMJE-XEZPLFJOSA-N 249.398 3.531 30 20 BHED C=CCC(C)(C)c1noc(/C=C/CCC)n1 664892345 YCQXNCKUPASUIS-CMDGGOBGSA-N 220.316 3.737 30 20 BHED CCC#C[C@H](C)N[C@@H](C)c1cc2ccccc2o1 680405029 WQUCUVPEDOVPOA-STQMWFEESA-N 241.334 3.885 30 20 BHED N#CCCCCN1CCC(C2CCCCC2)CC1 708768965 ZDEGOFNTCZXHTN-UHFFFAOYSA-N 248.414 3.973 30 20 BHED CCON=C(C)[C@@H](C)c1nc2ccccc2s1 748781153 TXRFQMCUCITTPK-SECBINFHSA-N 248.351 3.812 30 20 BHED C[C@H]1CC(C)(C)CC1=NNc1ccccc1 765993710 ZBYQKSGYIGUJED-NSHDSACASA-N 216.328 3.911 30 20 BHED C#CCCCNc1ccc(C(=O)C(C)(C)C)cc1 766724420 INOZLKYCRNLVTR-UHFFFAOYSA-N 243.350 3.741 30 20 BHED Cc1cc(CNC[C@H](C)C(C)(C)C)ccc1C#N 767692634 WXPPHAGBVJIPIV-ZDUSSCGKSA-N 244.382 3.639 30 20 BHED C=CCCCCC[C@H](C)NCc1cc(C)on1 793523015 OXTLHUPYPXDUGK-LBPRGKRZSA-N 236.359 3.598 30 20 BHED CC(C)C[C@H]1CCCC(=NOCC(F)F)C1 794535362 RVHQTWOMWIGXJO-SNVBAGLBSA-N 233.302 3.860 30 20 BHED CC[C@H](C)NN=C1C[C@H](C)CC[C@@H]1CC 797403620 SISWKZGQLXPHQP-WOPDTQHZSA-N 210.365 3.577 30 20 BHED CCc1cccc(C)c1NN=C(C)[C@H]1CCCO1 799493031 VVCZZHREYFQICT-CQSZACIVSA-N 246.354 3.524 30 20 BHED Cc1ccccc1COC(=O)CCCCCC#N 805696935 MDHNAEYTZCCUNF-UHFFFAOYSA-N 245.322 3.512 30 20 BHED C=CCCCCCCCNC(=O)CC(C)C 810768717 UWJLHYABQFNBIU-UHFFFAOYSA-N 225.376 3.675 30 20 BHED C1CCC(ON=C2CC[C@H]2C2CCC2)C1 814895570 ZECZFXKECXBVGO-LBPRGKRZSA-N 207.317 3.512 30 20 BHED CCC(C#N)(CC)C(=O)Oc1ccc(C)c(C)c1 860453897 DKNJULAEFAFCPY-UHFFFAOYSA-N 245.322 3.539 30 20 BHED C#Cc1ccc(NC2CCC(C)(C#N)CC2)cc1 898498872 NDJNNALBBYFOFF-UHFFFAOYSA-N 238.334 3.552 30 20 BHED CC(C)(C)ON=C/C=C/c1ccc(F)cc1F 1116573269 IOSZRBHPYMYAHN-UCHVEPNOSA-N 239.265 3.779 30 20 BHED Cc1cc(C)cc(NCc2ccc(C#N)cc2)c1 19952837 GKLDZEAXOSQJGN-UHFFFAOYSA-N 236.318 3.787 30 20 BHED C[C@H](NCCC#N)c1ccc(Cl)cc1Cl 20199667 HDSTZOWKWFJYAP-QMMMGPOBSA-N 243.137 3.558 30 20 BHED CCC1CCC(NCc2cccc(C#N)c2)CC1 37748513 GWHGPIWNUPBYTJ-UHFFFAOYSA-N 242.366 3.617 30 20 BHED C=C(C)CN(C)[C@H](C)c1cc(F)ccc1F 52074970 NTMCNUPRJBMFNP-SNVBAGLBSA-N 225.282 3.534 30 20 BHED C=C(C)CNc1cccc(NC(=O)CCC)c1C 63479941 XMLZJLKBZGJWOI-UHFFFAOYSA-N 246.354 3.722 30 20 BHED CCCCCCCSc1nnc(C)n1CC 102205729 NREMUYCLBSTIIL-UHFFFAOYSA-N 241.404 3.669 30 20 BHED N#CCCCCN1CCC[C@@H]1C1CCCCC1 102397611 JKZGMZDLDWQHJN-OAHLLOKOSA-N 234.387 3.725 30 20 BHED CCCCCSC[C@H](O)c1ccc(C#N)cc1 180618425 LQFOKCWCIJYUBB-AWEZNQCLSA-N 249.379 3.515 30 20 BHED C=CCCCC(=O)N1CCCC[C@@H]1CCC 183066741 YRAAYWBMBRGUHZ-ZDUSSCGKSA-N 223.360 3.524 30 20 BHED N#C[C@@H]1CCC[C@@H](NCCCC2CCCC2)C1 185752382 KGQDLKSCDNKWHY-HUUCEWRRSA-N 234.387 3.629 30 20 BHED Cc1ccc(C(=O)/C=C\c2ccc(F)c(C)c2)o1 255290489 DJOJZQNQBHYLSP-ALCCZGGFSA-N 244.265 3.932 30 20 BHED CC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 274199167 KFZKEBXBLUVDMH-KBMXLJTQSA-N 242.366 3.810 30 20 BHED CC(C)C1CCC(Nc2ccc(C#N)cn2)CC1 301685381 VGQKQBYTOATRKU-UHFFFAOYSA-N 243.354 3.580 30 20 BHED CC(C)CCNc1c(Cl)cccc1C#N 303451527 JPZGBXKRSCTVAE-UHFFFAOYSA-N 222.719 3.670 30 20 BHED C=CCCNc1c(C)cc(C)cc1Cl 306509764 CCWAZVVDYHOHNT-UHFFFAOYSA-N 209.720 3.945 30 20 BHED C=CC[C@@H](CC)NC1CCC2(CC1)CC2 309227439 WGDXDFHJMMDVLJ-GFCCVEGCSA-N 207.361 3.654 30 20 BHED C[C@@H](NCCCCC#N)c1cccc(C2CC2)c1 340234215 HINNKGZVZJIFTE-CYBMUJFWSA-N 242.366 3.908 30 20 BHED C[C@H]1C[C@@H](NCC2(CC#N)CC2)c2ccccc21 344088287 QBTYAJJNAOEJBV-SWLSCSKDSA-N 240.350 3.518 30 20 BHED N#Cc1ccc(N[C@H]2CCC[C@H]2F)cc1Cl 382167811 VNKXKVJLBBWGFL-NEPJUHHUSA-N 238.693 3.514 30 20 BHED C=CCC[C@H](NC[C@@H]1CCC[C@@H]1C)C1CC1 390673846 WLOJXMDGLCNXKP-QEJZJMRPSA-N 221.388 3.757 30 20 BHED C=C(C)CNC(=O)[C@H](CCC)CC1CCCC1 427953898 GEVOLINIORWGIM-CQSZACIVSA-N 237.387 3.675 30 20 BHED C=C(C)CN1CC[C@@H](c2ccc(CC)cc2)C1 433061907 MHHGQVBDWCVROZ-MRXNPFEDSA-N 229.367 3.614 30 20 BHED CC[C@@H](C#N)S[C@H](C)c1ccc(F)cc1 436053478 UCACKZLGTFXDBS-SKDRFNHKSA-N 223.316 3.922 30 20 BHED CC(C)N(Cc1ccc(C#N)cc1Cl)C1CC1 439444349 UMMYUJZYGFDMLW-UHFFFAOYSA-N 248.757 3.584 30 20 BHED C=CCCCC[C@@H](C)N[C@H](C)C(C)(F)F 449415228 ODFYCAABSGZUDB-GHMZBOCLSA-N 219.319 3.755 30 20 BHED CC1(C)Cc2ccsc2CN1CCCCC#N 459590666 YQDVDECUHGEZQD-UHFFFAOYSA-N 248.395 3.579 30 20 BHED CC#CCCN1CCC[C@@H]1c1cccc(Cl)c1 462324438 CHFBAEDHPYIOJV-OAHLLOKOSA-N 247.769 3.890 30 20 BHED C=CCCC(=O)N1CC[C@H](C)C2(CCCCC2)C1 463040202 DEXQKSNKLVYSQC-AWEZNQCLSA-N 249.398 3.772 30 20 BHED C=CCOCCCOc1cccc2ccccc12 478782359 AMMQBQIEFRVXEB-UHFFFAOYSA-N 242.318 3.811 30 20 BHED C=CCCOc1cc(C)c([N+](=O)[O-])cc1Cl 506379512 IOJCGXVVQJSTKA-UHFFFAOYSA-N 241.674 3.512 30 20 BHED CCC(C)(C)[C@H](C)NCc1ccc(C#N)c(F)c1 583913865 DYOXCSSBLCZVFP-NSHDSACASA-N 248.345 3.612 30 20 BHED C=C(CC)CSCc1cccnc1C 589578977 MZOWMZVQAZWDJG-UHFFFAOYSA-N 207.342 3.589 30 20 BHED N#Cc1ccccc1-c1cccc(-c2ncc[nH]2)c1 589962861 BZZATQPHNRUGIP-UHFFFAOYSA-N 245.285 3.615 30 20 BHED CSc1ccc(C)c(NCC2(CC#N)CC2)c1 594703801 XONZRSNDOPDORC-UHFFFAOYSA-N 246.379 3.823 30 20 BHED N#CCC1(CNc2ccccc2C(F)F)CC1 594704141 CDEUYIKYZPWGAZ-UHFFFAOYSA-N 236.265 3.730 30 20 BHED N#CCCSCC[C@H]1CCc2ccccc21 594903972 XSFLGCGNBRBSID-CYBMUJFWSA-N 231.364 3.753 30 20 BHED C=CC[C@@H]1CCCN([C@H](C#N)c2ccccc2)C1 595658072 HFYBSHFENLYNPM-GDBMZVCRSA-N 240.350 3.539 30 20 BHED CC[C@](C)(NCCCCC#N)c1ccc(F)cc1 602926459 NUNDHGHMBPINJX-HNNXBMFYSA-N 248.345 3.734 30 20 BHED Clc1cccc(C=NNc2ccccc2)c1 606522424 QHHCTGXFEUEGSW-UHFFFAOYSA-N 230.698 3.786 30 20 BHED C=C(C)CN(CC)Cc1ccc(F)c(F)c1F 667473266 DSMZGBOLOMGSKN-UHFFFAOYSA-N 243.272 3.502 30 20 BHED C=CCC[C@H](CC)N[C@H](C)c1cnccc1C 678425863 DABDIRVRWZIDPD-KGLIPLIRSA-N 232.371 3.785 30 20 BHED CCCC[C@@H]1CCCC1=NNc1ccc(C)nn1 729937803 FQVSCNYDSYIYHX-GFCCVEGCSA-N 246.358 3.543 30 20 BHED CCCCCCCC(=O)OCCC1CC1 744286400 KTCFVWKIXQHPHG-UHFFFAOYSA-N 212.333 3.690 30 20 BHED CC(C)[C@H]1CCCC1=NNc1cccc(C#N)c1 747752061 UWNOVJQGPUIDFT-CQSZACIVSA-N 241.338 3.782 30 20 BHED C#CCCSCc1ccc(SC)cc1 760249178 MCTBMQKSEYSKCL-UHFFFAOYSA-N 222.378 3.665 30 20 BHED CC#CCCCC(=O)Oc1c(C)ccc(C)c1C 767047937 WWENCMLMKVQFJA-UHFFFAOYSA-N 244.334 3.711 30 20 BHED C=CCCC(CC)=NNc1nccnc1C(C)C 773091449 PCJPTBMRPIDWRS-UHFFFAOYSA-N 246.358 3.744 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C=C\c1ccccc1 775925615 UUDATHQAKKCERP-WUFNSSIPSA-N 243.350 3.561 30 20 BHED CSCCON=C1CCCC[C@H]1C(C)C 794574629 KYFPKEMINNNZFS-NSHDSACASA-N 229.389 3.568 30 20 BHED C=CCCCCCCNC(=O)N(C)[C@@H](C)CC 807571654 LUKFBKKIHZVPCO-ZDUSSCGKSA-N 240.391 3.563 30 20 BHED CC[C@H]1CCC1=NNc1ccc(C#N)c(Cl)c1 807982595 GRZIQGHDANSSAO-VIFPVBQESA-N 247.729 3.800 30 20 BHED CCCC(Cc1ccccc1)=NOC1CCC1 812236360 KYPDNIFYNDAUED-UHFFFAOYSA-N 231.339 3.954 30 20 BHED COc1cc(C)ccc1C(C)=NOCCC1CC1 814246875 GQPJLRAZICWCTQ-UHFFFAOYSA-N 247.338 3.544 30 20 BHED C=C(C)CON=C1CCC[C@H](C2CC2)C1 844618490 CIBPMJZBPHYDRU-LBPRGKRZSA-N 207.317 3.535 30 20 BHED Clc1cc(NN=C2CCCCCC2)ccn1 853393972 FGFOPWXWHBQGAE-UHFFFAOYSA-N 237.734 3.857 30 20 BHED C=CC(C)(C)Cc1nc([C@H](C)c2ccco2)no1 896926113 ACYNEERUZHBSIT-SNVBAGLBSA-N 246.310 3.569 30 20 BHED Cc1cccc(NN=Cc2ccsc2)c1 916255369 WCOIQZXUUZMGOB-UHFFFAOYSA-N 216.309 3.503 30 20 BHED C=C(Cl)CN1CCCc2cc(C)cc(F)c21 1167755309 LAWQYRBOUNEFSW-UHFFFAOYSA-N 239.721 3.639 30 20 BHED N#Cc1ncccc1SCCC(F)=C(F)F 1189337660 HOEYXLHOMRPNRU-UHFFFAOYSA-N 244.241 3.513 30 20 BHED Cc1cc(CSCCCC#N)ccc1N(C)C 1345180470 RKBGVZVHADZXCF-UHFFFAOYSA-N 248.395 3.598 30 20 BHED Cc1cc(COc2ccc(C#N)c(C)c2)cs1 1651956640 RTCWCPUJUUNIAX-UHFFFAOYSA-N 243.331 3.816 30 20 BHED C[C@@H]1CCC[C@@H](N(C)Cc2ccccc2C#N)C1 42240526 QTWCCOHGJHPFOP-CZUORRHYSA-N 242.366 3.569 30 20 BHED CC(C)CCN(C)c1cccc(Cl)c1C#N 48346657 JRVZUHKBGHOWKT-UHFFFAOYSA-N 236.746 3.694 30 20 BHED CC1(C)CCC(NCc2ccc(C#N)cc2)CC1 79627058 JFXBZQBJAPMSGW-UHFFFAOYSA-N 242.366 3.617 30 20 BHED CC(C)c1ccc(Nc2cccc(C#N)n2)cc1 81616184 GVEOGKKZPGZGBD-UHFFFAOYSA-N 237.306 3.820 30 20 BHED C=CC[C@@H](C)NCc1c(F)cccc1Cl 116927446 ITEFCHDMIYPPTB-SECBINFHSA-N 227.710 3.533 30 20 BHED CCCC1(CNCc2ccc(C#N)s2)CCC1 150800106 BJJAIKVWCOVZHB-UHFFFAOYSA-N 248.395 3.680 30 20 BHED C=CCC(CC=C)C(=O)N[C@H]1CCC[C@@H](CC)C1 150825492 HZSQRKKEZBKCPU-HIFRSBDPSA-N 249.398 3.840 30 20 BHED C=C[C@@H](C)NCc1cc(Cl)ccc1Cl 159643314 UYXISLFGNPNBHY-MRVPVSSYSA-N 230.138 3.658 30 20 BHED Cc1cc(N[C@@H]2CCC[C@H](C#N)C2)ccc1F 185732167 OBSZYGYQSGQFRD-NWDGAFQWSA-N 232.302 3.628 30 20 BHED C=C[C@](C)(CC)c1nc(C2CCCC2)no1 191164767 WFLAFZRMRYJLQM-CYBMUJFWSA-N 220.316 3.581 30 20 BHED C=CCN(Cc1cccnc1C)c1ccccc1 191971696 BQOFJPRIBDKQHK-UHFFFAOYSA-N 238.334 3.583 30 20 BHED C=CCN(Cc1cccs1)C(=O)/C(C)=C/CC 194399869 MKMPLFWRODLOOQ-KPKJPENVSA-N 249.379 3.619 30 20 BHED C#CCCCCN[C@H](CC)C[C@@H](C)CC 222294383 KRCQNKPWGIOWQN-UONOGXRCSA-N 209.377 3.594 30 20 BHED C#CCCCCN[C@H](c1ccccc1)C(C)C 223186585 ZXFNRLCMLAERCE-INIZCTEOSA-N 229.367 3.777 30 20 BHED C[C@H]1CCC[C@@H](Nc2cc(F)cc(C#N)c2)C1 227607650 QHVSHCVVTGROLZ-GXFFZTMASA-N 232.302 3.688 30 20 BHED N#Cc1ccnc(NCCC2CCCC2)c1Cl 236056729 WZPNEROKWMTBMY-UHFFFAOYSA-N 249.745 3.599 30 20 BHED C[C@@H]1CCC[C@@H]1N[C@H](CCC#N)c1ccccc1 271515204 OLDCQUSTAXRXHC-VNQPRFMTSA-N 242.366 3.810 30 20 BHED C=CCCCCNc1nc2ccccc2o1 302292861 XBDWQWLBEHZAFC-UHFFFAOYSA-N 216.284 3.596 30 20 BHED C=CCCC[C@H](C)Nc1ccnc(C)c1 302503758 VVWHPNLJHVYHEM-NSHDSACASA-N 204.317 3.547 30 20 BHED N#Cc1ccc(OCCCCCF)c(Cl)c1 304386903 LTRPFDCDDLZNQX-UHFFFAOYSA-N 241.693 3.730 30 20 BHED CC(C)(C)CCCNCc1ccc(C#N)cc1F 313470460 OJECYHVSRNOSGM-UHFFFAOYSA-N 248.345 3.613 30 20 BHED C[C@@H](Sc1cccc(C#N)c1)c1cccnc1 335756358 OZLOLOPLVMGMBH-LLVKDONJSA-N 240.331 3.807 30 20 BHED C=CC(C)(C)CN[C@@H](C)Cc1cccc(F)c1 385079069 YFVKMHWTPHMLMZ-LBPRGKRZSA-N 235.346 3.559 30 20 BHED C[C@H]1CC[C@@H](C)N1CCC1(C#N)CCCCC1 411314604 FAPPVRPPYVSXHQ-OKILXGFUSA-N 234.387 3.723 30 20 BHED CN(CCCCC#N)[C@@H]1CCC[C@@H]1C(C)(C)C 419321971 GQCPFPCMMRVXSK-UONOGXRCSA-N 236.403 3.827 30 20 BHED C=C[C@@H]1CCCCN1Cc1cccc(OCC)c1 426565927 PUOZTAZBNHOEOG-OAHLLOKOSA-N 245.366 3.626 30 20 BHED C=C(C)CSCc1cccc(F)c1C#N 427828030 AOSRWBCIYCIMFY-UHFFFAOYSA-N 221.300 3.507 30 20 BHED CCc1cccc(N[C@H]2CC[C@H](C#N)C2)c1CC 442852328 HNCUMBSRDIGJDS-JSGCOSHPSA-N 242.366 3.916 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H]1CCC[C@H](C)CC1 468093006 BBBGLDNDOKWUQU-KCQAQPDRSA-N 237.387 3.674 30 20 BHED CC[C@H](CC#N)N[C@H]1CCC[C@H]1CCC(C)C 468474446 FXPBLEYIZLCJJB-ZNMIVQPWSA-N 236.403 3.873 30 20 BHED C=CCCCCCN(C)[C@@H](C)CCSC 488216848 NCELEGGZVUCJHS-ZDUSSCGKSA-N 229.433 3.806 30 20 BHED N#Cc1ccc(N2CCC[C@@H]2c2ccccc2)cc1 505749477 JBGSYLKXMSZOQL-QGZVFWFLSA-N 248.329 3.900 30 20 BHED C=CCCC(=O)Nc1cc(C)c(Cl)c(C)c1 508080863 WSGDKUMMKXJQKX-UHFFFAOYSA-N 237.730 3.862 30 20 BHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)[C@@H](C)C1CCCCC1 549545504 XDOSPIIEZDIQHO-HLPPOEQASA-N 248.414 3.873 30 20 BHED CCCC[C@H](C)[C@H](C)NCc1cccc(C#N)c1 565561245 MITCETPGOHFPGO-KBPBESRZSA-N 244.382 3.863 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C=C\c1cccs1 588385657 BXCBJKIZFUNGKU-ZWLSGLHFSA-N 249.379 3.622 30 20 BHED C[C@H](CCC#N)CNc1ccc2ncsc2c1 602591658 XSXMIIHWLWRPIS-SNVBAGLBSA-N 245.351 3.648 30 20 BHED CC(C)C[C@H](C)CN[C@@H](C)c1cccc(C#N)c1 619621148 QQNVQOCIGJLPLN-KBPBESRZSA-N 244.382 3.891 30 20 BHED C[C@H](CN[C@H](C)CC(C)(C)C#N)C(C)(C)C 710019174 SIIRIRPMQYIYQA-VXGBXAGGSA-N 224.392 3.587 30 20 BHED C[C@H](COc1ccc(C#N)c(F)c1)C(C)(C)C 711127914 KPEXCPICLNUYKA-SNVBAGLBSA-N 235.302 3.758 30 20 BHED CCC(C[C@@H](C)CC)=NNC(CC)CC 734366253 KBTJSBGQKCPAIA-NSHDSACASA-N 212.381 3.967 30 20 BHED CCCCNN=C(C)[C@H](C)c1ccc(OC)cc1 747632586 FSPDNRGYSYSIQJ-LBPRGKRZSA-N 248.370 3.564 30 20 BHED CON=C1CCCc2c1sc1ccccc21 763168420 YBTZRPNLMBWNKJ-UHFFFAOYSA-N 231.320 3.588 30 20 BHED C#CC[C@H](N[C@H]1CCCC[C@@H]1C)c1ccccc1 773113186 CDTUGGVXZSJJRG-XIRDDKMYSA-N 241.378 3.919 30 20 BHED CCCC(CCC)=NN[C@@H]1C[C@H]2CC[C@H]1C2 774609906 ZBIMFJDFPDZLKD-SGMGOOAPSA-N 222.376 3.721 30 20 BHED C=CCCC[C@H](C)NC(=S)Nc1ccccc1 776203966 SZBUOEZLLLGSJK-LBPRGKRZSA-N 248.395 3.718 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 779776247 NQLHABRLNZWDCU-RBSFLKMASA-N 249.398 3.511 30 20 BHED CCCC[C@H]1CCCC1=NNc1ccnc(F)c1 781130276 RMCCZLPAHPCZSL-NSHDSACASA-N 249.333 3.979 30 20 BHED CCCCCCCN1CCC[C@@H]1[C@H]1CCCO1 792929291 ZEODKFKZNVLLKC-HUUCEWRRSA-N 239.403 3.600 30 20 BHED C#C[C@H](N[C@H](C)C1CCC1)c1ccc(Cl)cc1 811517177 KCYGQOTUDZGDCX-ABAIWWIYSA-N 247.769 3.793 30 20 BHED CC(C)[C@@H]1CCCC1=NOC/C=C\Cl 811670020 MFPBJTLPNYXLCT-MTMRBMNISA-N 215.724 3.568 30 20 BHED CC[C@H]1CCCC(=NN[C@@H](C)c2ccncc2)C1 819814941 IVAIUGVAHMDIHE-STQMWFEESA-N 245.370 3.688 30 20 BHED CCCC(CCC)=NN[C@H](C)c1ccncc1 819816150 XWXUIDVBVXYZNC-GFCCVEGCSA-N 233.359 3.688 30 20 BHED CC(=NNc1ncccc1F)[C@H]1CCCC[C@@H]1C 834978095 VQZTYPWTVFOMPH-JQWIXIFHSA-N 249.333 3.835 30 20 BHED C=C(C)CNc1ccc(C)cc1SC 841698350 DFHOWSLEHOCDQT-UHFFFAOYSA-N 207.342 3.705 30 20 BHED C=C[C@@H](C)ON=C(CC)Cc1cccs1 844625213 PWVBOUUGJLUAPW-SNVBAGLBSA-N 223.341 3.648 30 20 BHED C=CCC[C@H](NCC1(C#N)CCC1)c1ccco1 903033279 RXVKUKQPWSEXSU-ZDUSSCGKSA-N 244.338 3.570 30 20 BHED CCCCNN=Cc1cccc2ccccc12 915966293 OUTSWKSGVAKIEI-UHFFFAOYSA-N 226.323 3.563 30 20 BHED C=C(CC)C(=O)Nc1cccc(Cl)c1C 1345490622 DWTYNNYSLZJABI-UHFFFAOYSA-N 223.703 3.553 30 20 BHED C=C(C)CCC(=O)Nc1ccc(F)cc1Cl 1354040663 KZAZVCIQTGNJRX-UHFFFAOYSA-N 241.693 3.774 30 20 BHED COc1cccc(/C=C\C(=O)C2CCCCC2)c1 17058401 CIPPDJREBYVXKS-KHPPLWFESA-N 244.334 3.858 30 20 BHED CCC(C#N)(CC)C(=O)Nc1ccc(C)cc1C 44764937 WTCDTEGHXKAXEO-UHFFFAOYSA-N 244.338 3.572 30 20 BHED CCCCCCCCCC(=O)NCCC 106167188 ZJMYZDUZLNHLHP-UHFFFAOYSA-N 213.365 3.653 30 20 BHED CCN(Cc1ccccc1)CC(C)(C)CCC#N 158698525 NCSRLEGKHMXQLB-UHFFFAOYSA-N 244.382 3.838 30 20 BHED C[C@@H](NCCCCC#N)c1ccc2c(c1)CCC2 178642967 IZQWYEPBPAQIJU-CYBMUJFWSA-N 242.366 3.520 30 20 BHED CC(C)CCSc1nccc(C#N)c1Cl 232703752 ATQNNVASMTTZDM-UHFFFAOYSA-N 240.759 3.745 30 20 BHED C[C@H](N[C@H](C)CCC#N)c1ccc(Cl)cc1 276327353 QESCGKDWGKCFIH-MNOVXSKESA-N 236.746 3.683 30 20 BHED C=CC[C@H](C)N[C@H](CC)c1ccc(C#N)cc1 278851974 VQFIWNKNAGEZNC-SWLSCSKDSA-N 228.339 3.564 30 20 BHED C=C(Cl)COc1ccc(F)c(Cl)c1 306498852 UUHRMBXEDHXXJC-UHFFFAOYSA-N 221.058 3.610 30 20 BHED N#Cc1cc(Cl)ccc1N[C@@H]1CC[C@@H](F)C1 309572065 NHNVHSCEQRKGKM-GHMZBOCLSA-N 238.693 3.514 30 20 BHED Cc1nc(N[C@H]2CCCCC2(C)C)ccc1C#N 310966174 CKZSUSHTMNVRMO-ZDUSSCGKSA-N 243.354 3.642 30 20 BHED CCCC[C@@H](CC)CNc1ccc(C#N)c(C)n1 311233248 RQLWQZBYRWEFQX-CYBMUJFWSA-N 245.370 3.890 30 20 BHED CC(C)(CCC#N)CN[C@H]1CCC[C@H](C2CC2)C1 344634270 SAHGTJDILQVZQO-GJZGRUSLSA-N 248.414 3.875 30 20 BHED N#CCCCSc1cc(Cl)ccc1F 349816530 MTGMJGJLKRMBAM-UHFFFAOYSA-N 229.707 3.875 30 20 BHED CC[C@H](C)[C@H](C)NCCC1(C#N)CCCCC1 411470130 NTUPERSMXMCLDT-KBPBESRZSA-N 236.403 3.875 30 20 BHED C=C(C)C(C)(C)c1nc(Cc2ccccc2)no1 424225595 VSJXEDOIJQCJHX-UHFFFAOYSA-N 242.322 3.514 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccccc1CC 425392429 AZTOPSDFWJCTCD-UHFFFAOYSA-N 231.339 3.790 30 20 BHED CC1(C)CCCN(CC2CCCCC2)[C@@H]1C#N 444733359 XDNBSKFNHNRLHU-CQSZACIVSA-N 234.387 3.581 30 20 BHED C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)CC 470642507 SCBZHNFTNCKEFN-CQSZACIVSA-N 245.366 3.637 30 20 BHED C=CCC1(C(=O)N[C@H]2CCC[C@H](CC)C2)CCC1 479977296 CMIVPIQOMDEPQD-KBPBESRZSA-N 249.398 3.818 30 20 BHED C=CCN(CCC1CC1)Cc1ccccc1F 480525201 SWHHDVLYWSRONW-UHFFFAOYSA-N 233.330 3.614 30 20 BHED C=C(C)COc1cccc(NC[C@@H]2C[C@H]2C)c1 488328833 XNPWMRREXSDYSI-OLZOCXBDSA-N 231.339 3.709 30 20 BHED C=C(C)CCSc1ccccc1OC 505533341 QDRWMTLJHCZEKA-UHFFFAOYSA-N 208.326 3.754 30 20 BHED C=CCOc1ccccc1CN[C@H]1CC[C@@H]1CC 554361134 RDDGRSSCEXDZBU-ZFWWWQNUSA-N 245.366 3.530 30 20 BHED C=CCCCCN1CC[C@H](C(F)(F)F)[C@H]1C 567441318 GJVPNDYDSZKFGY-MNOVXSKESA-N 235.293 3.615 30 20 BHED CC1(C)CCN(CCCCC#N)c2ccccc21 572558553 FMNKQNHHGUYIPT-UHFFFAOYSA-N 242.366 3.868 30 20 BHED CCC[C@@H]1CCCC[C@H]1NCC1(CC#N)CC1 583440616 NDHZIDSCBMCQFE-ZIAGYGMSSA-N 234.387 3.629 30 20 BHED CC[C@H](CNc1ccc(C#N)cc1)CC(F)F 594699058 MTOLXZCVUBAUPQ-JTQLQIEISA-N 238.281 3.652 30 20 BHED C[C@H](CCC#N)CN(C)C[C@H](C)c1ccccc1 602459235 RYGSFFXKKMUDLS-CABCVRRESA-N 244.382 3.662 30 20 BHED C=CCSCc1ccccc1OCC 609633996 SFRKFWZLIWCNPT-UHFFFAOYSA-N 208.326 3.505 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccsc1C 634214473 DOMHVVJTQYGTGC-UHFFFAOYSA-N 223.341 3.597 30 20 BHED C=CC(C)(C)C(=O)N[C@@H](CC)C1CCCCC1 659016083 DQVFETBRHOYBCO-ZDUSSCGKSA-N 237.387 3.674 30 20 BHED C=C(C)CCOC(=O)c1cc(Cl)ccc1F 744305267 WPTMYAMNGQDDPX-UHFFFAOYSA-N 242.677 3.602 30 20 BHED CCC1(CC)C(=NNc2ccccc2)C[C@H]1OC 762605578 RQRPRINDBCKPSZ-CQSZACIVSA-N 246.354 3.680 30 20 BHED CCCC=NNc1c(F)cccc1Cl 769826633 HQLQJNWTLJGTPX-UHFFFAOYSA-N 214.671 3.677 30 20 BHED O=C(/C=C/c1cscc1Cl)c1ccncc1 776187961 FJQWSNHKVZUJMW-OWOJBTEDSA-N 249.722 3.693 30 20 BHED C=C[C@@H]1CCCCN1Cc1ccc(CF)cc1 785998839 OJDTXYPXOYJXNV-OAHLLOKOSA-N 233.330 3.697 30 20 BHED CC[C@H](C)NN=C(C)CCc1ccccc1F 790190992 XLYZYUMYPGIDDT-NSHDSACASA-N 236.334 3.522 30 20 BHED CC(C)[C@@H]1CCCC(=NNc2ccccn2)C1 794470383 FIQGYEWDBRPTIH-GFCCVEGCSA-N 231.343 3.696 30 20 BHED CCCCCCCCN1CC[C@@H](OC)C[C@@H]1C 799343160 BGHSWZSITKQBIJ-LSDHHAIUSA-N 241.419 3.846 30 20 BHED CCC[C@@H](C=NOCC1CC1)c1ccccc1 814244411 RWHVPFIEZBRKSR-HNNXBMFYSA-N 231.339 3.983 30 20 BHED C[C@@H]1CCC(=NOCC2CC2)c2ccccc21 814244874 MACATALAHHSXPH-LLVKDONJSA-N 229.323 3.715 30 20 BHED C=C(C)CN(CC)C(=O)c1ccccc1C(C)C 821713632 ISBYUQDAAPMNDO-UHFFFAOYSA-N 245.366 3.848 30 20 BHED C=CCON=CCc1ccc(C(C)C)cc1 835013792 XXIUMCXAMQAWSQ-UHFFFAOYSA-N 217.312 3.541 30 20 BHED N#Cc1ccc(NN=CC2CCCCC2)cc1 915961537 GTOOJBMTNNZYJC-UHFFFAOYSA-N 227.311 3.536 30 20 BHED C=C(C)CCC(=O)Nc1cccc(C(F)F)c1 1120598490 PRHKNACFDQMWAR-UHFFFAOYSA-N 239.265 3.919 30 20 BHED C=CCC[C@H]1CCCN1C(=O)c1ccc(C)s1 1120813758 MJBKPGJHWXCFNO-LBPRGKRZSA-N 249.379 3.627 30 20 BHED C[C@H](C1CCCCC1)N(C)CC1(CC#N)CC1 1559789029 ZVYWSOFYKQQECE-CYBMUJFWSA-N 234.387 3.581 30 20 BHED CC[C@@H]1C[C@H]1CSc1ccc(C#N)cc1F 1643724359 DRYKTHQZUNXBAA-MNOVXSKESA-N 235.327 3.836 30 20 BHED N#CCC1(CSc2cc(F)ccc2F)CC1 88259717 QULZQVKTTBWYHW-UHFFFAOYSA-N 239.290 3.751 30 20 BHED CCN(Cc1cc(C)c(C)cc1C)C[C@H](C)C#N 91982202 AYPODGSBIPVUFH-GFCCVEGCSA-N 244.382 3.593 30 20 BHED C=C(Cl)CNC(C)(C)CCc1ccccc1 122378680 ODHPGDNOLXPOSV-UHFFFAOYSA-N 237.774 3.740 30 20 BHED C=C(Br)CN[C@@H](CC)C[C@@H](C)CC 133321185 SOZDQROJJOYZTB-ONGXEEELSA-N 248.208 3.699 30 20 BHED C=CCCCCCN(C)[C@H](C)c1cccnc1 172654292 JYMPCNCLSIONLB-CQSZACIVSA-N 232.371 3.821 30 20 BHED C=CCCCC(=O)N(C)c1cc(C)cc(C)c1 177585308 KEIBKYNDWDXLGK-UHFFFAOYSA-N 231.339 3.623 30 20 BHED C[C@H](CC#N)N(C)C/C=C/c1ccc(Cl)cc1 179451982 LAYZJZNENRNWPU-AAOUONPWSA-N 248.757 3.587 30 20 BHED CC#CCCCC(=O)Nc1ccccc1CCC 185304641 BCFHUVFOFUQOEN-UHFFFAOYSA-N 243.350 3.771 30 20 BHED N#CCCCCSCc1cc(F)cc(F)c1 187539470 AXNPECZOMQRBRU-UHFFFAOYSA-N 241.306 3.892 30 20 BHED C=CCSCCN[C@@H](C)c1cc(C)ccc1C 221941407 JXBLNXKTCCWCMU-AWEZNQCLSA-N 249.423 3.873 30 20 BHED C[C@@H](NCC(C)(C)CCC#N)c1ccccc1F 229690025 VWOPSKKJYCFKRE-GFCCVEGCSA-N 248.345 3.806 30 20 BHED C[C@H](CCC1CC1)Nc1ccc(C#N)cc1 302222390 ORDSUKHDNZRRIX-LLVKDONJSA-N 214.312 3.549 30 20 BHED C=CCCN[C@@H](c1ccc(F)cc1)C(C)C 309327079 GUPOPTIPGKHOPF-CQSZACIVSA-N 221.319 3.689 30 20 BHED C=C(CC)CSCc1nc(C)c(C)s1 358639870 VHSFWXLCVYSINZ-UHFFFAOYSA-N 227.398 3.959 30 20 BHED C=CCCC[C@@H](C)NCc1ccsc1C 378866046 AUHYLEYADBHABD-LLVKDONJSA-N 223.385 3.891 30 20 BHED C=CC(C)(C)CN[C@@H](C)CCc1ccc(O)cc1 385434005 FROPRSKAFPLHKX-ZDUSSCGKSA-N 247.382 3.515 30 20 BHED CCCC[C@H](CC)CN1CCC[C@@H](CC#N)C1 397714888 QHBYSBQZGXLOON-GJZGRUSLSA-N 236.403 3.828 30 20 BHED CCCN(Cc1ccc(C#N)c(F)c1)CC(C)C 404064110 NECSCNYRNHZETL-UHFFFAOYSA-N 248.345 3.565 30 20 BHED CC(C)[C@@H]1CCCC[C@H]1NCC(C)(C)CC#N 414167858 PXJFSCRZSHNSPV-UONOGXRCSA-N 236.403 3.731 30 20 BHED CC(C)(C#N)CCSc1ccccc1C#N 439706117 VZFZLLVVWTVOIP-UHFFFAOYSA-N 230.336 3.590 30 20 BHED N#Cc1cccc(SCC2CC(F)(F)C2)c1 450862530 QXIIKDMYOLACDD-UHFFFAOYSA-N 239.290 3.696 30 20 BHED CC(C)[C@@H]1CCC[C@@H]1Nc1ccc(CC#N)cc1 468476530 SZDCJBALRXEMNE-HOTGVXAUSA-N 242.366 3.989 30 20 BHED C=C[C@](C)(CC)C(=O)NCC(C(C)C)C(C)C 469811005 OKEXBZSOAIQCJG-OAHLLOKOSA-N 239.403 3.633 30 20 BHED C=C(C)CN(CCC)CCc1cccc(F)c1 500230014 NMQQEUUTLNGWHR-UHFFFAOYSA-N 235.346 3.656 30 20 BHED CCC(CC)N(CC)Cc1ccc(C#N)cc1 514689199 VCPVMZWMSWRTIA-UHFFFAOYSA-N 230.355 3.569 30 20 BHED C=C1CCN(C(=O)[C@@H](C)CCC(C)(C)C)CC1 543523497 WHWXWVGPMKQJQK-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED Cc1cc(CNCCCC(C)(C)C)ccc1C#N 571858417 CGOOHDAVQXAFNY-UHFFFAOYSA-N 244.382 3.783 30 20 BHED N#CC1(CCN2[C@H]3C=CC[C@H]2CC3)CCCCC1 591020985 OUJMRMDDXHARCP-GJZGRUSLSA-N 244.382 3.643 30 20 BHED N#C[C@@H](S[C@@H]1CCc2ccccc2C1)C1CC1 601084790 CNAGGJINCDWOER-HUUCEWRRSA-N 243.375 3.579 30 20 BHED CSCc1ccc(NC[C@@H](C)CCC#N)cc1 602489899 FOGAXOYQAPFRJL-LBPRGKRZSA-N 248.395 3.901 30 20 BHED C[C@@H]1CCCCN1CCCCC1(C#N)CCC1 675075612 SDYYQMVUJVFSNP-CQSZACIVSA-N 234.387 3.725 30 20 BHED C[C@H](CC1CCCCC1)Nc1cccc(C#N)n1 694632385 BOPUANSSYCWIMG-GFCCVEGCSA-N 243.354 3.724 30 20 BHED COc1ccc(N[C@H](C)CC(C)(C)C#N)c(C)c1 695775974 BSSYZMCILODWOD-GFCCVEGCSA-N 246.354 3.744 30 20 BHED C[C@H](CC(C)(C)C#N)N[C@H](C)C1CCCCC1 695818734 YTYZZHKWZDXEOP-CHWSQXEVSA-N 236.403 3.873 30 20 BHED CC(=NNc1ccc([N+](=O)[O-])cc1)C1CCCC1 733078326 WUTGLBCLKMDQPV-UHFFFAOYSA-N 247.298 3.573 30 20 BHED C=CCCCOC(=O)c1cc(Cl)ccc1F 735526763 AUCVXHSUNRWJSO-UHFFFAOYSA-N 242.677 3.602 30 20 BHED CC1(C)CCCC[C@@H]1NN=Cc1ccccc1 773126618 VNOJBACQSVQDLV-AWEZNQCLSA-N 230.355 3.579 30 20 BHED CC(/C=C\C(=O)c1ccncc1)=C/c1ccccc1 776188463 RPOLVDPRGJHCDF-WRKWTSPFSA-N 249.313 3.924 30 20 BHED CC(C[C@@H](C)CC(C)C)=NNCC(C)C 779787675 VDJDNNMHVCJBHO-LBPRGKRZSA-N 212.381 3.680 30 20 BHED C[C@@H]1C[C@@H]1c1ccc(C=NNCCC(C)(C)C)o1 782906882 FXIUMWWSBCWOGU-YPMHNXCESA-N 248.370 3.763 30 20 BHED CC(=NNc1ccccc1F)c1ccc(C)cc1 812458688 INPNRRMUIYEPHH-UHFFFAOYSA-N 242.297 3.970 30 20 BHED C=CCCCCCOC(=O)[C@@H](C)C(C)(F)F 815488815 JEJYVKOMBLWTIC-SNVBAGLBSA-N 234.286 3.567 30 20 BHED C=CCC(C)(C)CNC(=O)C(F)=C1CCCC1 817456807 FQJMKAZELNDEFV-UHFFFAOYSA-N 239.334 3.503 30 20 BHED CCCC(CCC)=NN[C@@H](C)c1ccncc1 819816151 XWXUIDVBVXYZNC-LBPRGKRZSA-N 233.359 3.688 30 20 BHED CC(C)CON=C[C@@]1(C)C[C@@H]1c1ccccc1 841632433 KIRFXAKGFSYUJY-HUUCEWRRSA-N 231.339 3.839 30 20 BHED C=CCCCNC(=N)Nc1cccc(C(C)C)c1 849023746 CPYZHEBXMKAVTK-UHFFFAOYSA-N 245.370 3.712 30 20 BHED C=CC[C@@H]1CCCCC1=NNCCC(F)(F)F 853341890 YYXNAWABMBTSIQ-SNVBAGLBSA-N 248.292 3.651 30 20 BHED C=CCN(C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)C(C)C 915153437 LJVLIVBYLANFSK-KGLIPLIRSA-N 249.398 3.648 30 20 BHED CCOc1ccc(O)c(/C=N\C2CCCCC2)c1 920943394 FWGNQZMYEMKPLN-WJDWOHSUSA-N 247.338 3.543 30 20 BHED C=C[C@H](CC)CC(=O)Nc1ccc(F)cc1C 929282053 GCVYLYVGRGGEJR-LLVKDONJSA-N 235.302 3.675 30 20 BHED CCC(CC)CC(=O)O[C@@H](CC#N)c1ccco1 1520424681 BTRWHNTYVCQIPV-ZDUSSCGKSA-N 249.310 3.604 30 20 BHED CCC(C)(C)C1CCC(NC[C@H](C)C#N)CC1 48484549 WTRBTGVGZGUXPG-IYXRBSQSSA-N 236.403 3.731 30 20 BHED C=CCNc1ccccc1Cc1ccccc1 50521782 CWOZKJSPZHWLLL-UHFFFAOYSA-N 223.319 3.875 30 20 BHED CC[C@H](c1ccccc1)[S@](=O)CCCCC#N 78742727 CWFHYSKOXFRVTK-PBHICJAKSA-N 249.379 3.580 30 20 BHED C[C@@H](c1ccccc1F)N(C)CC1(CC#N)CC1 88259498 MXSXPEOVDQFCRC-LBPRGKRZSA-N 246.329 3.512 30 20 BHED C[C@H]1CCCC[C@@H]1CNCc1cc(C#N)cs1 93492541 LDQOGXXDEOQJRU-WCQYABFASA-N 248.395 3.536 30 20 BHED CCCCCCCCNC(=O)CC(C)C 106306199 MVSNKUDBZPSQNQ-UHFFFAOYSA-N 213.365 3.509 30 20 BHED CC(C)c1ccc([S@@](=O)CCCCC#N)cc1 108065617 GYCSOWFFOCOLSP-QGZVFWFLSA-N 249.379 3.611 30 20 BHED CCC1(C)CCN(c2cccc(F)c2C#N)CC1 112013357 YMOCCDXQADPVGZ-UHFFFAOYSA-N 246.329 3.714 30 20 BHED C=C(Cl)CN[C@@H]1CCCc2ccc(F)cc21 132866856 AUBKWMISLGSSIV-CYBMUJFWSA-N 239.721 3.545 30 20 BHED C=CC[C@H](C)N[C@H]1CCC(C)(C)C[C@H]1C 161643076 UBGOEOICTKZLLC-AGIUHOORSA-N 209.377 3.755 30 20 BHED C=C(Cl)CN[C@H]1CCC(C)(C)C[C@@H]1C 161731202 DYGUIFGIATUUSG-ONGXEEELSA-N 215.768 3.543 30 20 BHED CC(C)SCc1ccc(C#N)cc1Cl 169035092 SNCBBZVKLVCROA-UHFFFAOYSA-N 225.744 3.853 30 20 BHED C#CCCCN[C@H]1CCC[C@H](CC(C)C)C1 232623420 NEYGCAGIBHFZOH-CABCVRRESA-N 221.388 3.594 30 20 BHED C=CCCCC(=O)N(CC)c1ccccc1F 267356397 VTFURUDNZRUAJD-UHFFFAOYSA-N 235.302 3.535 30 20 BHED N#Cc1ccc(NC[C@H]2CCc3ccccc32)cc1 301276542 SDODNDZAUUFOSL-OAHLLOKOSA-N 248.329 3.700 30 20 BHED CC(C)C[C@H](C)Nc1snc(Cl)c1C#N 301811904 XSWOEGWDFCYJIW-ZETCQYMHSA-N 243.763 3.515 30 20 BHED CCCC[C@@H](C)C(=O)Nc1cc(C)cc(C#N)c1 308212857 XIMKYVWDKGVMNI-GFCCVEGCSA-N 244.338 3.632 30 20 BHED C=CCCCCC[C@H](C)NC[C@H]1CCSC1 309575010 OQGQQNLWOAQLQZ-UONOGXRCSA-N 241.444 3.854 30 20 BHED Cc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1Cl 309881913 VVLGQDXCQPVXBG-MNOVXSKESA-N 234.730 3.753 30 20 BHED CC(C)(C)CN(CCCC#N)Cc1ccccc1 350698222 AUWTVYYQUTVKMI-UHFFFAOYSA-N 244.382 3.838 30 20 BHED Cc1cccc(COc2cc(F)cc(C#N)c2)c1 381267763 QUOGFFSLXCWSIE-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=CCCCC(=O)N[C@H]1CCC[C@H]1C(C)(C)C 412826216 QHFWNALPACOROR-OLZOCXBDSA-N 237.387 3.674 30 20 BHED CCc1cc(Cl)c(Cl)cc1OCCC#N 432249407 FLTBDMIQUNKCBJ-UHFFFAOYSA-N 244.121 3.848 30 20 BHED CN(Cc1ccc(C2CC2)cc1)CC(C)(C)C#N 459587291 KDDZEMUWGXZPRQ-UHFFFAOYSA-N 242.366 3.546 30 20 BHED C=CCCC[C@H](C)N(C)CCc1ccccc1O 541389137 NVIXAYWZIDSMQJ-AWEZNQCLSA-N 247.382 3.611 30 20 BHED Cc1ccc(CN(C2CC2)[C@@H](C)C#N)c(Cl)c1 595709777 IIJNVUVHBKGGLD-NSHDSACASA-N 248.757 3.525 30 20 BHED C=C(C)CCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 615824162 AAABOEDRNHKWEE-SHTZXODSSA-N 249.398 3.675 30 20 BHED CC1(CN[C@@H]2CCC[C@H](C#N)C2)CCCCC1 618572000 CYOVDFRTHZVXAY-UONOGXRCSA-N 234.387 3.629 30 20 BHED COc1cc(C#N)ccc1OC[C@H](C)C(C)(C)C 711196568 FYRRAWYAYJJQCM-NSHDSACASA-N 247.338 3.628 30 20 BHED C=CCCOC(=O)Cc1ccc2ccccc2c1 729072797 WNZIFFOUHDPBAU-UHFFFAOYSA-N 240.302 3.502 30 20 BHED CCCCCC[C@H](C)NN=Cc1ccco1 743450051 FLQJRFMNXXHAAP-LBPRGKRZSA-N 222.332 3.562 30 20 BHED CO[C@]1(C)CC(=NNc2cccc(C)c2)C1(C)C 746559941 ZFYOYNPQJNBPHV-OAHLLOKOSA-N 246.354 3.598 30 20 BHED C#CCCN(Cc1cccc(F)c1)C1CCCC1 760857763 YLTRYZBQQIZMFR-UHFFFAOYSA-N 245.341 3.594 30 20 BHED C#CCCCN[C@H](CCc1ccccc1)C(C)C 766232135 GAKNFYRNVPZFRX-QGZVFWFLSA-N 243.394 3.647 30 20 BHED C=CC[C@@H](C)NC(=O)C(C)(C)C1CCCCC1 766811695 XVEWNVMIXBLLNF-GFCCVEGCSA-N 237.387 3.674 30 20 BHED Cc1ccc(/C=C\C(=O)c2cscn2)c(C)c1 769266573 ZFYIKNZYLRJSFZ-WAYWQWQTSA-N 243.331 3.656 30 20 BHED C#CCCCCC(=O)Oc1ccc(CCC)cc1 773783359 JXPUTEDCXYQWTD-UHFFFAOYSA-N 244.334 3.738 30 20 BHED Clc1cccc(C=NOC2CCCC2)c1 774601228 AWCKHCZJUWRSOW-UHFFFAOYSA-N 223.703 3.633 30 20 BHED CC[C@@H](C)NN=C(C)c1ccc(F)cc1Cl 790183455 SDXVVROSVTYGPC-MRVPVSSYSA-N 242.725 3.591 30 20 BHED CON(CC(C)(C)C)[C@H](C)c1cccc(C#N)c1 796470673 HBKKBRKOWZBWIA-GFCCVEGCSA-N 246.354 3.529 30 20 BHED C=CCCCCCCNC(=O)[C@H](C)C(C)C 805220979 IKLJITBQRWWKCM-CYBMUJFWSA-N 225.376 3.531 30 20 BHED C=CCCCCCCNC(=O)C[C@@H]1C=CCCC1 805221831 VNWPGQIPVVPLDB-OAHLLOKOSA-N 249.398 3.986 30 20 BHED C[C@H](NN=C1CCC[C@H]1C(C)(C)C#N)C(C)(C)C 814937445 GNVAPUQONOBQJC-NWDGAFQWSA-N 249.402 3.716 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@](C)(F)CCCC 831733353 SDACKELFWYLBHB-TZMCWYRMSA-N 243.366 3.766 30 20 BHED C=CCCC(C)(C)NC(=O)/C(C)=C/C(C)(C)C 856374305 WGFGCBCPRWUPOB-VAWYXSNFSA-N 237.387 3.840 30 20 BHED CCCCNN=Cc1ccc(OCCCC)cc1 915969739 PAGGECNAFHEASI-UHFFFAOYSA-N 248.370 3.589 30 20 BHED Fc1cccc(Cl)c1C=NNc1ccccc1 916245842 FFIIRYBKJPWLRQ-UHFFFAOYSA-N 248.688 3.925 30 20 BHED CCc1cccc(Nc2cc(C)c(C#N)cn2)c1 1641975316 ABGLSDAXJOVVMT-UHFFFAOYSA-N 237.306 3.568 30 20 BHED C[C@H](Nc1ccc(CC#N)cc1)c1ccccc1 35019460 YVXVJAVUTVSMAG-ZDUSSCGKSA-N 236.318 3.926 30 20 BHED CCc1cccc(OCCC(C)(C)C#N)c1 57713639 NJCHSHONIYVMPR-UHFFFAOYSA-N 217.312 3.568 30 20 BHED CCCc1nc(-c2ccc(C#N)cc2)cs1 59184061 BIVLTKBVAOSQEY-UHFFFAOYSA-N 228.320 3.634 30 20 BHED CC[C@H](Nc1cccc(C#N)n1)c1ccccc1 80118620 FBZZWNBKZOQNKC-AWEZNQCLSA-N 237.306 3.516 30 20 BHED C[C@H]1CCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 82424934 HJXIBMFSAQCDNL-ZANVPECISA-N 234.730 3.812 30 20 BHED CCN(CCCC(C)(C)C#N)c1ccccc1 87608435 SIGPLLWIQGFSJZ-UHFFFAOYSA-N 230.355 3.843 30 20 BHED CCCCCCCNCc1cccc(C#N)c1 103036211 IFSHTQFSEDLEFB-UHFFFAOYSA-N 230.355 3.618 30 20 BHED C=C(Cl)CN[C@H]1CCC[C@@H]1CCCC 129758034 NJNROBZFAGZSPH-RYUDHWBXSA-N 215.768 3.687 30 20 BHED N#Cc1ccc(CNCCCCC2CCCC2)o1 174644824 OQOSCNMFQQJCHO-UHFFFAOYSA-N 246.354 3.601 30 20 BHED CC[C@H](OC(=O)[C@](C)(C#N)CC)c1ccccc1 286854258 XFAKKORNARRCPS-ZFWWWQNUSA-N 245.322 3.621 30 20 BHED C[C@@H](NCCCC#N)c1cccc(C2CC2)c1 294290609 MSVFHIHWVIOUNQ-GFCCVEGCSA-N 228.339 3.518 30 20 BHED N#Cc1cc(Oc2ccc(Cl)cc2F)ccn1 310259588 CABFUXDSDBNVKE-UHFFFAOYSA-N 248.644 3.538 30 20 BHED CCC[C@@H](NCc1cccc(C#N)c1)C1CCC1 322263834 IBBIXWHVIZPZHL-MRXNPFEDSA-N 242.366 3.617 30 20 BHED CSc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 335620203 MLEJLWNBJDPWIT-JQWIXIFHSA-N 232.352 3.513 30 20 BHED CC(C)C[C@@H](C)CN(CCC#N)Cc1ccco1 337197390 XBLAWZPROOOCKH-CQSZACIVSA-N 248.370 3.677 30 20 BHED CCCCCCCC(=O)N1CC2(CCCC2)C1 372363420 CARWNHYRPXSVRD-UHFFFAOYSA-N 237.387 3.750 30 20 BHED CC#CCCN1CCC[C@@H]1/C=C/c1ccccc1 462334676 VCEDKHHPBGSZKR-GZKZCVOOSA-N 239.362 3.578 30 20 BHED C=CCC(CC=C)C(=O)N[C@H](C)C[C@@H](C)CC 467353615 DMVYRVIUGBDJBH-QWHCGFSZSA-N 237.387 3.696 30 20 BHED CC#CCCNC(=O)CC(C)(C)C1CCCCC1 476578089 SWBYGUYYQVTDOG-UHFFFAOYSA-N 249.398 3.513 30 20 BHED C=CCCCC(=O)N[C@H]1CCC[C@H]1CCCC 479664568 WUZILKLJSPBBFL-KGLIPLIRSA-N 237.387 3.818 30 20 BHED C=C(C)CCN(Cc1ccccc1F)C1CC1 509826325 KMMCUZOBRFLUGA-UHFFFAOYSA-N 233.330 3.756 30 20 BHED CCC[C@@H](CCc1ccccc1)NC[C@@H](C)C#N 545192269 VRBFBBXTAAOQAT-HOCLYGCPSA-N 244.382 3.537 30 20 BHED CCCC[C@H](NCC1(CC#N)CC1)C1CCC1 602807855 WZPBLEPWIFNMDE-AWEZNQCLSA-N 234.387 3.629 30 20 BHED Cc1c(Cl)cnc(N[C@H](C)C2CCC2)c1C#N 612086706 AKIIHOHRHTVELY-SECBINFHSA-N 249.745 3.516 30 20 BHED C=CCC1(NCc2oc(C)nc2C)CCCCC1 625934223 FONGEOCZGFDJRX-UHFFFAOYSA-N 248.370 3.660 30 20 BHED C=CCC(CC=C)C(=O)Nc1csc(C)c1 634424610 DBTBADYRLJALLQ-UHFFFAOYSA-N 235.352 3.763 30 20 BHED C#CCCCNc1cccc(C(F)(F)F)c1C 689679989 DUADABRASUYIAR-UHFFFAOYSA-N 241.256 3.839 30 20 BHED C=CCCOC(=O)[C@H](c1ccccc1)C(C)C 744049808 YOXFUTRMFYONTO-AWEZNQCLSA-N 232.323 3.546 30 20 BHED C=C(C)CCOC(=O)c1cc2ccccc2o1 744303028 LKFOUZUSWIOKAL-UHFFFAOYSA-N 230.263 3.556 30 20 BHED CCCCNN=C[C@@H](C)CCc1ccccc1 749157759 JEEPGJJQJFZTPP-AWEZNQCLSA-N 232.371 3.631 30 20 BHED CC(CCCC(C)C)=NNC1CCCC1 764691204 ZQMBQRCDEPYFEP-UHFFFAOYSA-N 210.365 3.721 30 20 BHED C=C(Cl)CN[C@@H](C)c1ccc2ccccc2n1 773003285 CLYQNFLFJUTSRU-NSHDSACASA-N 246.741 3.638 30 20 BHED C=C(C)CN(C/C=C\Cl)Cc1ccccc1 791565349 AJWIBEWSMZJNRO-TWGQIWQCSA-N 235.758 3.817 30 20 BHED C[C@H](NN=Cc1cc(Cl)cs1)C(C)(C)C 793110994 FAMBWXNHJUGIQY-QMMMGPOBSA-N 244.791 3.760 30 20 BHED C=CCCC(=NN[C@@H](C)C(C)(C)C)C1CC1 793113427 DZIRMZRJZJQUDS-NSHDSACASA-N 222.376 3.743 30 20 BHED CC[C@@H](C)CON=C[C@H]1CCOc2ccccc21 793158474 HGHKWLAEBQVJLA-CHWSQXEVSA-N 247.338 3.601 30 20 BHED C[C@H]1CC[C@H](C=NNc2cccc(Cl)n2)C1 793164023 PWDYJNSHXRTOBQ-UWVGGRQHSA-N 237.734 3.569 30 20 BHED C=CCCCCC[C@@H](C)NCc1cnn(CC)c1 793537838 BOSFMSINTCSGHQ-CQSZACIVSA-N 249.402 3.518 30 20 BHED Cc1ccc(S[C@H](C)CCC#N)s1 830056833 ILWIBJVCWJIHFZ-MRVPVSSYSA-N 211.355 3.841 30 20 BHED CC1=C(C)C[C@@H](C(=O)O[C@@H](C)C(C)(C)C#N)CC1 842741347 HRVYIVVNMCHHHZ-STQMWFEESA-N 249.354 3.604 30 20 BHED CCc1nc(SCCCCC#N)sc1C 845326808 ZQRNVDNQNFXVFZ-UHFFFAOYSA-N 240.397 3.800 30 20 BHED C=CC(C)(C)CC(=O)N(C)Cc1cccc(C)c1 878147632 HJDJRSWDRCRUIX-UHFFFAOYSA-N 245.366 3.556 30 20 BHED CCCCCCCC(=O)N(C)[C@H](C)C(C)C 915079921 HQORSJTUBMBKJX-CYBMUJFWSA-N 227.392 3.850 30 20 BHED Fc1ccc(NN=C[C@@H]2CC=CCC2)cc1 916268222 REACZKIERAJNBU-LLVKDONJSA-N 218.275 3.580 30 20 BHED CC(C)=CCSCC1(C#N)CCCC1 917577216 JOCGDMHADKTMJU-UHFFFAOYSA-N 209.358 3.770 30 20 BHED Fc1cccc(NN=C[C@@H]2CC=CCC2)c1 920384615 ZHJGDYPDEBHSFX-LLVKDONJSA-N 218.275 3.580 30 20 BHED C=C[C@H](CC)CC(=O)N1CCC[C@@H]1C1CCCC1 930396037 MKNRFMQHWVQQTK-UKRRQHHQSA-N 249.398 3.770 30 20 BHED C=C(C)CCN(Cc1ccccn1)CC(C)C 932449853 TZDLERSHVCUXJV-UHFFFAOYSA-N 232.371 3.506 30 20 BHED CC[C@@H](C)CON=CCCc1ccc(F)cc1 1117717184 BXDCAFSVBCTNJO-GFCCVEGCSA-N 237.318 3.807 30 20 BHED CC[C@@H]1CCC[C@H]1CN[C@@H](C)CC(C)(C)C#N 1181846271 YWUJZDBXOFDFQD-MJBXVCDLSA-N 236.403 3.731 30 20 BHED Cc1ccc(CSc2ccccc2C#N)cn1 1307302652 BTFIZMFHPOGCJA-UHFFFAOYSA-N 240.331 3.554 30 20 BHED CC(C)=CCC[C@@H](C)CC=NNc1ccn(C)n1 1321826304 VZMOBHNFMPVDCZ-CYBMUJFWSA-N 248.374 3.590 30 20 BHED CC[C@@H](C)N(CC)CCC1(C#N)CCCCC1 1460408498 MWPBZKCBYWZVCQ-CQSZACIVSA-N 236.403 3.971 30 20 BHED C=C(Cl)CN(CC)c1cccc(Cl)c1 1559605134 FLQALYDTGSAGDY-UHFFFAOYSA-N 230.138 3.919 30 20 BHED C[C@@H]1CC[C@H](Sc2cccc(F)c2C#N)C1 1656593102 QZQCHBLZKBAGPL-ZJUUUORDSA-N 235.327 3.978 30 20 BHED CCC(CC)CC=NNc1ccccc1C(=O)O 1776030402 WVKSUVKROHZZOG-UHFFFAOYSA-N 248.326 3.609 30 20 BHED N#Cc1ccc(CSc2ccccc2)c(F)c1 19847529 WKNKXKMQCRLDDP-UHFFFAOYSA-N 243.306 3.990 30 20 BHED Cc1nc(SCC#N)n(C2CCCCC2)c1C 60722001 YSXHAPDHLCNACH-UHFFFAOYSA-N 249.383 3.621 30 20 BHED Cc1ccccc1NCc1cc(C#N)cs1 86573567 XBAVKQCLOWFOKW-UHFFFAOYSA-N 228.320 3.540 30 20 BHED CC(C)CCCNc1c(F)cc(C#N)cc1F 111142989 RSIUPSRNIVDEKV-UHFFFAOYSA-N 238.281 3.685 30 20 BHED C#CCCCCC(=O)NCCCCC(C)(C)C 119808403 DMTFNJVAGCGZJA-UHFFFAOYSA-N 237.387 3.513 30 20 BHED CC[C@@H](C#N)SCc1cc(C)ccc1C 127720564 FKSUMSPREJSEMU-ZDUSSCGKSA-N 219.353 3.839 30 20 BHED C=CC[C@H](C)N[C@@H](c1ccccc1)C(C)C 162083088 RKDHOUKCRNJPJX-DZGCQCFKSA-N 217.356 3.938 30 20 BHED C[C@H](Sc1ccccc1C#N)C(F)(F)F 178159499 WURRHPIMHQYGDS-ZETCQYMHSA-N 231.242 3.601 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 180144479 DYGFUYSNICMOQX-KGLIPLIRSA-N 242.366 3.954 30 20 BHED Cc1ccc([C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1 185787302 MMYBJWGHQBTFLG-IJEWVQPXSA-N 242.366 3.728 30 20 BHED C[C@H]1CCCCN([C@@H](C)c2cccc(C#N)c2)C1 190037895 RYIMPDUYAWMAPC-KBPBESRZSA-N 242.366 3.741 30 20 BHED N#CCCCS[C@@H]1CCc2ccc(F)cc21 190965397 IWYDUFHLERGEPI-CYBMUJFWSA-N 235.327 3.850 30 20 BHED C=CCC[C@H](C)N[C@H]1CCCc2c(O)cccc21 191637736 LHZSDYFPYISIKJ-WFASDCNBSA-N 245.366 3.714 30 20 BHED CC[C@@H](C)[C@H](C)Nc1cc(F)cc(C#N)c1 227610321 FWUUOVHMDFBGHB-ZJUUUORDSA-N 220.291 3.544 30 20 BHED CC(C)[C@H](C)SCc1ccc(C#N)cc1F 231193397 VGMWXPAWMKWXDH-JTQLQIEISA-N 237.343 3.975 30 20 BHED C[C@@H](CCC1CC1)Nc1cccc(OCC#N)c1 274449916 SGAAIKXWEOULKO-LBPRGKRZSA-N 244.338 3.580 30 20 BHED CSc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1 335620202 MLEJLWNBJDPWIT-CMPLNLGQSA-N 232.352 3.513 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCCc2ccc(F)cc21 344281024 ABQSQPAVKMDFRV-IAQYHMDHSA-N 233.330 3.757 30 20 BHED C=CCCCCCCN[C@H](C)c1cccnc1 379895428 BWHBSSPXSQKTNK-CQSZACIVSA-N 232.371 3.869 30 20 BHED C=C(C)CCN[C@H](c1ccc(OC)cc1)C1CC1 386838532 XDIBULUYBLSRNO-INIZCTEOSA-N 245.366 3.702 30 20 BHED C=CCC[C@H](C)N[C@@H](CC)CC(F)(F)F 389891131 WAGLOEUUQODUFD-UWVGGRQHSA-N 223.282 3.662 30 20 BHED N#CCc1ccc(N[C@@H]2CCCC23CCC3)cc1 394808777 IUQBSRQEJMGYHJ-OAHLLOKOSA-N 240.350 3.887 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 425455198 HKNQUAFAYQYRMC-CHWSQXEVSA-N 237.387 3.626 30 20 BHED CC1(C)CCC[C@H]1Nc1ncc(C#N)cc1Cl 426387977 DRPQTORABSZSAE-LLVKDONJSA-N 249.745 3.597 30 20 BHED CC(C)[C@@H]1N(c2cccc(F)c2C#N)CC1(C)C 431478245 QUBQSKIJLAZDBZ-AWEZNQCLSA-N 246.329 3.568 30 20 BHED CCC(C)(C)CCN(CC#N)C1CCCC1 441394445 KQCRXRQETYBTJE-UHFFFAOYSA-N 222.376 3.581 30 20 BHED C[C@H](CC1CCCCC1)N[C@@H]1CC[C@H](C#N)C1 442874444 MCYNYCNKUQIKDM-VHDGCEQUSA-N 234.387 3.627 30 20 BHED C=CC1CCN(C(=O)[C@@H]2CCC[C@@H]2CCC)CC1 448952161 DWENWPVHIFSPJS-LSDHHAIUSA-N 249.398 3.627 30 20 BHED C=CCCCC[C@H](C)NC[C@@H]1CCCS1 449189650 MKARXHOXUSILFE-STQMWFEESA-N 227.417 3.607 30 20 BHED CC#CCCN1CCC[C@H]1c1cccc(C)c1C 462320083 QJDOGKGBVVUDMN-KRWDZBQOSA-N 241.378 3.854 30 20 BHED CCN(Cc1ccc(F)cc1C#N)CC(C)(C)C 463361473 LUBMAOHQBZCVTJ-UHFFFAOYSA-N 248.345 3.565 30 20 BHED C=CCC1(C(=O)NC[C@@H]2CCCC[C@@H]2C)CCC1 478122037 LXAWYQGIVMTWRE-KBPBESRZSA-N 249.398 3.675 30 20 BHED C=CCCSCc1cc(F)ccc1F 531471881 XZVKWYCEDLFXKQ-UHFFFAOYSA-N 214.280 3.774 30 20 BHED C=CCN(CCCc1ccccc1C)C1CC1 536744125 MKJHXOPQZULUPK-UHFFFAOYSA-N 229.367 3.578 30 20 BHED C=CCCN(C)[C@@H](CC)c1ccccc1OC 553991938 NQIPXAXPWNTMDI-AWEZNQCLSA-N 233.355 3.654 30 20 BHED N#CCCCCNC1(c2ccccc2Cl)CC1 592137886 QJUWNCCRDURJKD-UHFFFAOYSA-N 248.757 3.613 30 20 BHED C=CCC[C@H](CCC)NCc1cccnc1C 624163020 ORJCJTMRUWNJBB-HNNXBMFYSA-N 232.371 3.615 30 20 BHED C=CC[C@@H](CC)NC(=O)Nc1ccsc1C 640469440 AWGOKYVPWVYIHJ-SNVBAGLBSA-N 238.356 3.533 30 20 BHED C=CCC[C@@H](CCC)NCCc1ccoc1 658198076 INMITKUHHHMUJG-CQSZACIVSA-N 221.344 3.547 30 20 BHED C=CCCc1noc(C2CCC3(CC2)CC3)n1 664897847 NYLCATPSWJZBBH-UHFFFAOYSA-N 232.327 3.626 30 20 BHED C=CC[C@@H](C)NC(=O)c1cccc(C(C)C)c1 668855055 TUOSXSTZFNIRIR-GFCCVEGCSA-N 231.339 3.504 30 20 BHED C=C(CC)CN1CC[C@H]1c1cccc(F)c1 678624977 KPPILRNNIUFOLX-AWEZNQCLSA-N 219.303 3.539 30 20 BHED C=CCCCCNC(=O)C[C@H](C)CC(C)(C)C 681145176 JQDYUHJHVGIZMA-ZDUSSCGKSA-N 239.403 3.921 30 20 BHED C=CCOC(=O)[C@@H](CC)CC1CCCCC1 734050202 BIOJPPVBPHPJBI-ZDUSSCGKSA-N 224.344 3.712 30 20 BHED CCC(CC)NN=Cc1c[nH]c2cc(C)ccc12 734366202 IKCURLYHFBIODI-UHFFFAOYSA-N 243.354 3.588 30 20 BHED CC(CCc1ccccc1)=NO[C@H]1CCCCO1 755823932 ULWYGYLWOOATQV-HNNXBMFYSA-N 247.338 3.538 30 20 BHED N#Cc1cccc(SCC(F)(F)C(F)F)c1 759047983 MFMSMZQUAIMUPA-UHFFFAOYSA-N 249.232 3.551 30 20 BHED C=CCCC(=O)O[C@H](C)c1ccccc1C 768189595 OPIQCQPMLPAAQU-GFCCVEGCSA-N 218.296 3.565 30 20 BHED Cc1cc(Cl)cc(C)c1C=NNCC(C)C 771566998 LXOGWBHHWQWSIA-UHFFFAOYSA-N 238.762 3.536 30 20 BHED CC(C)[C@H]1CC(=NOC2CCCCC2)CCO1 777456945 IZWKPBCSTKJMKC-CQSZACIVSA-N 239.359 3.527 30 20 BHED C/C=C/CS(=O)(=O)CCCCCCCCC 790143857 YDTUXYFXFVMCCB-GQCTYLIASA-N 246.416 3.728 30 20 BHED CSCCON=C(C)C[C@@H](C)CC(C)C 794573820 LVPSSKDCBVOYIN-NSHDSACASA-N 231.405 3.814 30 20 BHED CCCCC[C@@H](C)NC(=O)CCCCCC#N 806370222 RRNYFHHMTCELDA-CYBMUJFWSA-N 238.375 3.545 30 20 BHED CCC[C@H](C)C(CC)=NOC/C=C/Cl 811667977 IJNBCIVHBMGEBH-GOQIHEAJSA-N 217.740 3.958 30 20 BHED CC(=NOC1CCC1)c1c(F)cccc1Cl 812236919 ZWXUCMJJTXUYDQ-UHFFFAOYSA-N 241.693 3.772 30 20 BHED C=CCN(C[C@H](CC)CC(F)F)C(C)C 851731493 RXRBDHHVTASKPI-LLVKDONJSA-N 219.319 3.564 30 20 BHED CCC(=NNc1ccnc(Cl)c1)[C@@H]1C[C@H]1C 853396526 BKFLXDPOGKCOPY-PSASIEDQSA-N 237.734 3.569 30 20 BHED C=CCCSCc1coc(C(C)(C)C)n1 901766730 QLBHKBPNATZHNS-UHFFFAOYSA-N 225.357 3.781 30 20 BHED N#Cc1ccc(SCC2(C#N)CCCC2)cc1 916731225 XGNRXCUPOCLZPM-UHFFFAOYSA-N 242.347 3.734 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCCc2cccnc21 927059919 PKGSDBOIOMTVIN-KCQAQPDRSA-N 244.382 3.649 30 20 BHED CSCCC=NNc1ccc(C)c(Cl)c1 1253647323 YAVTWZCXZMVAHW-UHFFFAOYSA-N 242.775 3.799 30 20 BHED Cc1ccc(CSCCC(C)(C)C#N)cn1 1326835874 BUQURZGBEDSJDM-UHFFFAOYSA-N 234.368 3.563 30 20 BHED C=C[C@](C)(CC)c1nnc(-c2ccccc2F)o1 1326944397 SXRRBQQHPBASRR-CQSZACIVSA-N 246.285 3.729 30 20 BHED C[C@@H]1CN(CCC2(C#N)CCCCC2)[C@@H](C)[C@H]1C 1654779572 UGQXSMSOZCMEEC-ILXRZTDVSA-N 248.414 3.827 30 20 BHED C[C@H](Oc1ccc(C#N)cc1F)c1ccccc1 36886796 QYAGGUMHQGMXQH-NSHDSACASA-N 241.265 3.837 30 20 BHED N#Cc1cccc(CSc2ccc(O)cc2)c1 37995754 JHCAEKWJANTBCI-UHFFFAOYSA-N 241.315 3.556 30 20 BHED Cc1cccc(SCC2(CC#N)CC2)c1 88259722 HNFQOUGPIILUOP-UHFFFAOYSA-N 217.337 3.781 30 20 BHED C#CCCCCC(=O)Nc1cc(C)ccc1Cl 120282053 YTOVRGUBELLGBS-UHFFFAOYSA-N 249.741 3.781 30 20 BHED C=CCCC(=O)O[C@H](C)c1cccc(C)c1 121710687 BVHGPWJDQLIYCY-GFCCVEGCSA-N 218.296 3.565 30 20 BHED CC[C@H]1CC[C@H](C)N1c1ccc(C#N)c(Cl)c1 124484146 XYSBMVLMFXRTAH-JQWIXIFHSA-N 248.757 3.979 30 20 BHED CCCCCCCCC(=O)NOC1CCCC1 135355662 YYWLHWCZZUSJOR-UHFFFAOYSA-N 241.375 3.727 30 20 BHED C=C(Cl)CN[C@@H](C)c1ccc(SC)cc1 161740386 SSIWVNZYIPUUGR-JTQLQIEISA-N 241.787 3.812 30 20 BHED C[C@H](SCCCC#N)c1cccc(C#N)c1 191024894 JVRGPBCDHQPCPE-NSHDSACASA-N 230.336 3.656 30 20 BHED C=CC[C@@H](C)[C@H](C)N[C@H](C)c1cccc(O)c1 192035662 KMQBAUXWVTXJRR-FRRDWIJNSA-N 233.355 3.644 30 20 BHED CCCCCCCCC(=O)NCc1ccoc1 193369889 OZDLYPBHHGLYSS-UHFFFAOYSA-N 237.343 3.646 30 20 BHED C[C@H](c1ccc(F)cc1)N(C)CCC(C)(C)C#N 265977112 DOZICZMCTCFFQY-GFCCVEGCSA-N 248.345 3.758 30 20 BHED C=CCCCCNc1cc(C(F)(F)F)ccn1 302246299 KVTZNPFFIUSKMU-UHFFFAOYSA-N 244.260 3.869 30 20 BHED C=CC[C@H](CC)NCc1cnc(C(C)C)s1 336728480 HEHUYJZVXDYVMH-NSHDSACASA-N 238.400 3.711 30 20 BHED CCCCN(CCC#N)[C@H]1CCC[C@H](C)C1 339642873 BZHYIWUDCRGNJQ-KBPBESRZSA-N 222.376 3.581 30 20 BHED C=CCCCC(=O)Nc1sc(C)c(C)c1C#N 360726130 PPDSAHZGKMZOQM-UHFFFAOYSA-N 248.351 3.531 30 20 BHED C=CCN[C@H](c1ccccc1Cl)C(C)C 380064874 BUCKMBNGTCWHPY-ZDUSSCGKSA-N 223.747 3.813 30 20 BHED C=CC[C@H](CC)N[C@H]1CCc2ccc(OC)cc21 393778571 OZYPIQOXTYQOKS-BBRMVZONSA-N 245.366 3.627 30 20 BHED C[C@H]1C[C@@H](NC2CCC(C)(C#N)CC2)CC[C@H]1C 449240382 YRTPHQWCUIPTCC-QTJAEWGCSA-N 248.414 3.873 30 20 BHED C=C[C@](C)(CC)C(=O)NCC(C)(C)C1CCC1 452782726 GOHFZLVENFTVKP-OAHLLOKOSA-N 237.387 3.531 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C)c(F)c1 467429242 OBRCDBBHOCCRKC-AWEZNQCLSA-N 235.302 3.675 30 20 BHED C=CC[C@H](CC)NC[C@H](C)c1ccc(F)cc1 467524389 YHROTNQMGMKZQS-WFASDCNBSA-N 235.346 3.874 30 20 BHED C=CCCCCNC(=O)Nc1ccc(C)cc1C 473495701 CHMYFPNKXQEWPV-UHFFFAOYSA-N 246.354 3.781 30 20 BHED C=C(CC)CN1CCc2cc(Cl)ccc2C1 484007655 NLPKRXKQEFZVGZ-UHFFFAOYSA-N 235.758 3.664 30 20 BHED C=C(C)CN(CC1CC1)C1CCCCC1 524365608 PPMWYRRTSICPFM-UHFFFAOYSA-N 207.361 3.607 30 20 BHED Cc1cn(CCCc2ccccc2C)cc1C#N 533228796 QPNNNGZMKYYFEP-UHFFFAOYSA-N 238.334 3.609 30 20 BHED C=CCC(C)(C)c1noc(C2CCCCC2)n1 551492119 MDJQAPWEJGSJJY-UHFFFAOYSA-N 234.343 3.971 30 20 BHED CC[C@@H]1CC[C@H](C)N1Cc1ccc(C#N)c(C)c1 580012824 OQPAIZKMBRPHBW-XJKSGUPXSA-N 242.366 3.630 30 20 BHED CC(C)C(NC1CCC(C)(C#N)CC1)C(C)C 590646679 JKSGPPYICCLGKN-UHFFFAOYSA-N 236.403 3.729 30 20 BHED Cc1oncc1-c1ccc([C@H](C#N)C(C)C)cc1 592989360 SUKKLLYSWVOCMN-CQSZACIVSA-N 240.306 3.913 30 20 BHED CCC(CC)CSCC1(C#N)CCC1 596369981 WLUYGJGXCWPPSK-UHFFFAOYSA-N 211.374 3.850 30 20 BHED Cc1ccccc1[C@@H](C)N1CCC[C@](C)(C#N)C1 612162100 ZGSICZMVXHAKFM-GDBMZVCRSA-N 242.366 3.682 30 20 BHED CC[C@@H](C#N)Nc1cc(C(C)(C)C)ccc1OC 614788080 UMYIUEOWJPZYOY-LBPRGKRZSA-N 246.354 3.707 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1NCCCCOCC 657847131 UNOZAUSYZGJHFM-CABCVRRESA-N 239.403 3.528 30 20 BHED C=CCCN[C@H]1CC[C@](C)(c2ccccc2)C1 658113658 IETWNKYABZIROG-HOTGVXAUSA-N 229.367 3.663 30 20 BHED CCCC1CCC(=NNc2ccc(C)nn2)CC1 729936550 VISQTSVFEOUBBO-UHFFFAOYSA-N 246.358 3.543 30 20 BHED CC(=NNc1ccccc1Cl)c1ccoc1 755871414 FCEROBUTWARWHZ-UHFFFAOYSA-N 234.686 3.769 30 20 BHED CCCCCC1=CCCC1=NOCC(F)F 758899706 LMPVPILVWRUJLH-UHFFFAOYSA-N 231.286 3.925 30 20 BHED C#CCCN(CCC)[C@H](CC)c1ccccc1 760820065 NTSQSKJMEMUQEK-MRXNPFEDSA-N 229.367 3.873 30 20 BHED C=CCCCCCNC(C)(C)C1CCOCC1 786152925 RIVUGWFWRJGYKP-UHFFFAOYSA-N 239.403 3.528 30 20 BHED Cc1ccc(NN=CCC2CCCCCC2)nn1 799112125 LGGONNPRXCQEMI-UHFFFAOYSA-N 246.358 3.543 30 20 BHED CC(C)CCC(=NOC/C=C/Cl)C1CC1 811669058 BHXOSFIBINKZCA-VTXBSQGRSA-N 229.751 3.958 30 20 BHED CC(=NOC/C=C\Cl)[C@@H](C)c1ccccc1 811669699 RXXMDCLEJHBONL-NKAAVBAASA-N 237.730 3.935 30 20 BHED Cc1cccc2c1[C@@H](C)CC2=NOC1CCC1 812235590 YQQXAPYAWVNCAC-NSHDSACASA-N 229.323 3.775 30 20 BHED CC(CCCC(F)(F)F)=NOCC1CC1 814245214 VFLZZMVQCZCMBW-UHFFFAOYSA-N 223.238 3.522 30 20 BHED CC(C)=CCC[C@@H](C)CC(=O)OCCCC#N 830090337 FCKZPQAPLJCIGA-CYBMUJFWSA-N 237.343 3.606 30 20 BHED CC(C)CCCCC(=O)O[C@@H](C)C(C)(C)C#N 838820528 HDQCIYRPPRXIDS-LBPRGKRZSA-N 239.359 3.684 30 20 BHED CC(CCCCC#N)=NNCC1(C)CCCC1 841641846 ASRAJZMTLXVASV-UHFFFAOYSA-N 235.375 3.616 30 20 BHED CCC[C@@H](CC)C(=O)Nc1ccc(CC#N)cc1 873829151 MGLTUOLKUMZBTH-CYBMUJFWSA-N 244.338 3.517 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@@H](C)c1ccccc1C 935799164 KQOSPVJZOYCEIZ-UONOGXRCSA-N 245.366 3.569 30 20 BHED N#Cc1ccnc(/C=C\c2ccc(Cl)s2)c1 1344339210 VMZKBASNCAAVPP-UPHRSURJSA-N 246.722 3.839 30 20 BHED C=C(C)CCC(=O)Nc1ccccc1C(F)F 1358319355 AZVPDXLVCVTSNI-UHFFFAOYSA-N 239.265 3.919 30 20 BHED C[C@H]1Cc2ccccc2N(C[C@H](C)CCC#N)C1 1659390045 ROUFNSBEHBBBPR-KGLIPLIRSA-N 242.366 3.625 30 20 BHED CCC[C@@H](CC)N[C@H](C)c1ccc(C#N)cc1 50400440 ZSAOPTWHBQQBLR-IUODEOHRSA-N 230.355 3.788 30 20 BHED Cc1cc(F)ccc1CNc1ccc(C#N)cc1 50569102 CZMRTBSWKAENID-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C[C@H]1CC[C@@H](C)C[C@H]1Nc1cccc(C#N)c1 85085110 MXYRYTQYLCYMDV-TYNCELHUSA-N 228.339 3.795 30 20 BHED CC1(C)CCCC[C@@H]1NCc1ccc(C#N)cc1 94278295 CIFPHAHZUPABHH-HNNXBMFYSA-N 242.366 3.617 30 20 BHED O=C(/C=C/c1cccc(F)c1)c1ccccc1F 119851850 BAHAIUQRYGFULB-CMDGGOBGSA-N 244.240 3.861 30 20 BHED C=C(Cl)CNCc1c(C)cc(Cl)cc1C 126683755 GUZJESXCSGATQJ-UHFFFAOYSA-N 244.165 3.799 30 20 BHED C=CC[C@H](C)NCc1ccccc1C1CC1 129768761 GULLVTAAZYJYFH-LBPRGKRZSA-N 215.340 3.618 30 20 BHED C[C@@H](N[C@H]1CCC(C)(C)C1)c1cccc(C#N)c1 164666595 QLAFBUYHGWPBNK-DOMZBBRYSA-N 242.366 3.788 30 20 BHED Cc1cccc(C(C)(C)NCCCCC#N)c1 179591428 GPDPPYFLALRRKQ-UHFFFAOYSA-N 230.355 3.514 30 20 BHED C=CC[C@H](C)N[C@H](C)[C@@H](C)c1ccc(OC)cc1 180947330 RKLPIJMMTDRTBM-BFHYXJOUSA-N 247.382 3.741 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc(C)cc1 189755190 WZGKNKADWOLZOF-CQSZACIVSA-N 217.312 3.536 30 20 BHED Cc1ccc(C#N)c(N[C@@H]2CCC[C@@H](C)CC2)n1 227539229 YCVNDPSTUSTNAE-BXUZGUMPSA-N 243.354 3.642 30 20 BHED CCCC1(CNc2nccc(C#N)c2Cl)CC1 233061236 FUCRUDIAWGRIAX-UHFFFAOYSA-N 249.745 3.599 30 20 BHED C[C@H]1CC[C@H](Nc2ccc(F)cc2C#N)CC1 253197950 VJOYOGXPWPSJIV-MJHDQNEOSA-N 232.302 3.688 30 20 BHED Fc1ccc(CON=C2CCC2)c(Cl)c1 265503672 YJASEGQODMFTLH-UHFFFAOYSA-N 227.666 3.536 30 20 BHED C#CCCCN[C@H](C)c1cccc(OC(C)C)c1 271752615 LACFPLDWCSGQHW-CQSZACIVSA-N 245.366 3.538 30 20 BHED N#Cc1cccc(Cl)c1NC(C1CC1)C1CC1 301549101 UWIREUUDTHIJAD-UHFFFAOYSA-N 246.741 3.812 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@@H](CC)C1CCCC1 411060742 HIOHCTHQVNVHPE-ZFWWWQNUSA-N 237.387 3.674 30 20 BHED CC(C)(C)C[C@@H](NCCC#N)c1ccc(F)cc1 411453116 QCOCKXDXIATIRS-CQSZACIVSA-N 248.345 3.806 30 20 BHED C=CCCSC[C@@H](Cc1ccccc1)OC 419409987 AAMUGKNUPYNEOG-CQSZACIVSA-N 236.380 3.553 30 20 BHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCC1(CC#N)CC1 430745752 ZQYWQBDFXIAVIP-RBSFLKMASA-N 248.414 3.731 30 20 BHED C=CC(C)(C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 448616119 ZTDIZEGLXGMPSQ-HZSPNIEDSA-N 249.398 3.674 30 20 BHED N#Cc1cccnc1SCC1CCCCC1 476603532 CPQMDDFXOQTRNT-UHFFFAOYSA-N 232.352 3.626 30 20 BHED C=CC[C@H](CC)NC(=O)Nc1ccc(C)c(C)c1 500104289 NWCXJGFQKSUDMT-ZDUSSCGKSA-N 246.354 3.780 30 20 BHED C=C(C)CCN(C1CC1)[C@H](C)[C@H](C)CC 509650007 GTSHAJYYEZKTFV-CHWSQXEVSA-N 209.377 3.852 30 20 BHED C=CCCCN(C)CCCc1ccc(OC)cc1 522775477 ZLNJSPHLKZBCBF-UHFFFAOYSA-N 247.382 3.526 30 20 BHED C=CCCOc1ccc([N+](=O)[O-])c2ccccc12 532048698 JUTQSNXCMLZLCE-UHFFFAOYSA-N 243.262 3.703 30 20 BHED Cc1cn(Cc2ccc3ccccc3c2)cc1C#N 533228302 GGCGNPYUCNTCDK-UHFFFAOYSA-N 246.313 3.870 30 20 BHED CC(C)(C#N)CCCNc1cccc2cc[nH]c12 548467753 VUSSYDDHPYFQJA-UHFFFAOYSA-N 241.338 3.910 30 20 BHED C=CCCN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 548930622 UICRWQTXQBJAKH-BJWYYQGGSA-N 241.378 3.973 30 20 BHED CC(C)(C#N)CCCCN1CC[C@H](C2CCC2)C1 591063243 MDZZVASMGHNQBR-HNNXBMFYSA-N 248.414 3.828 30 20 BHED C[C@@H](CCC#N)CNc1cnc2ccccc2c1 602617431 OUWBYMNFQWWABL-LBPRGKRZSA-N 239.322 3.587 30 20 BHED C=CCCC(C)(C)NC(=O)C1=CCCCCC1 620857047 LCNYUPLTXBFTAI-UHFFFAOYSA-N 235.371 3.738 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 684939588 RNNXAZUDRQFWLR-MJBXVCDLSA-N 249.398 3.696 30 20 BHED CSc1ccc(C(C)=NNC2CCCC2)cc1 727652546 RNFXZKGHIYMUAL-UHFFFAOYSA-N 248.395 3.665 30 20 BHED C(=NNC1CCCC1)c1cc2ccccc2s1 758370569 OMSLBPVJYSUIED-UHFFFAOYSA-N 244.363 3.767 30 20 BHED CCCCCCCC(=O)N1CC[C@H](C)[C@H](C)C1 766549745 JVWJMSRQBHMUDH-UONOGXRCSA-N 239.403 3.851 30 20 BHED CCC(=NOC1CCCC1)c1ccc(OC)cc1 774609125 SJADEIRSQDURNR-UHFFFAOYSA-N 247.338 3.769 30 20 BHED CCCCCCCC(=O)N1CC[C@H]1C(C)C 775899651 BDEMFTCVFCFPQW-ZDUSSCGKSA-N 225.376 3.604 30 20 BHED CCC[C@H](C)C(CC)=NNc1cccc(OC)n1 779816520 GOVOIVDYKPELBS-NSHDSACASA-N 249.358 3.704 30 20 BHED Cc1cccnc1NN=C1CC[C@H](C)C[C@H]1C 790193044 PSZVTUUBNRHWTM-CMPLNLGQSA-N 231.343 3.614 30 20 BHED C=C(Cl)CSCCCC1CCOCC1 790458310 RISNIEIOXLWOOJ-UHFFFAOYSA-N 234.792 3.679 30 20 BHED Clc1ccc(CNN=C2CCC23CCC3)cc1 799880966 JXWXTLSTQQHEEE-UHFFFAOYSA-N 248.757 3.750 30 20 BHED C#C[C@H](N[C@@H](CC)Cc1cccs1)C(C)(C)C 809780925 AONYNCSGGKNEFW-JSGCOSHPSA-N 249.423 3.707 30 20 BHED C[C@@H]1CC(=NOC/C=C\Cl)c2ccccc21 811669814 JOKDKCMYZJFKAB-DREURSPMSA-N 235.714 3.667 30 20 BHED CC(=NOCC1CC1)C1CCC(F)(F)CC1 814241069 CZKFFCGRZDQJFP-UHFFFAOYSA-N 231.286 3.614 30 20 BHED C=CCC1(C(=O)N2CCCCCCCC2)CCC1 836925002 LEQKPVQLFPAZCT-UHFFFAOYSA-N 249.398 3.916 30 20 BHED C=CCC(CC=C)C(=O)O[C@H](C)CC(C)(C)C#N 851209000 HQBMCZFYGRCUMO-GFCCVEGCSA-N 249.354 3.626 30 20 BHED Cc1ccccc1C=NOCc1ccc(F)cc1 852220734 VVYPZRBEWQLZMU-UHFFFAOYSA-N 243.281 3.685 30 20 BHED C=CCN(Cc1csc(Cl)n1)C(C)(C)C 852554810 WUXKCNNDVMFVNL-UHFFFAOYSA-N 244.791 3.583 30 20 BHED CC(C)c1csc(S[C@H](C#N)C2CC2)n1 865372949 ZGXAZKXVHAMHPK-SNVBAGLBSA-N 238.381 3.661 30 20 BHED CC[C@](C)(NCC1(CC#N)CC1)c1ccccc1 878361917 IUVWCRIFRYCKEQ-HNNXBMFYSA-N 242.366 3.595 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H](c1ccncc1)C1CC1 898323109 XPJFPMALGNFBFA-XEZPLFJOSA-N 244.382 3.723 30 20 BHED CCCCCCCCOC(=O)[C@H]1C[C@@H]1C 918493953 HXRYFNOROKKIIR-RYUDHWBXSA-N 212.333 3.546 30 20 BHED CCC[C@H](Nc1ccc(C#N)c(C)n1)C(C)(C)C 1612396499 KXWDCVAVQZJUMX-ZDUSSCGKSA-N 245.370 3.888 30 20 BHED C[C@H](C#N)N(CCCC1CCCCC1)C1CC1 1654165631 RQJKYMZWSNLESD-CYBMUJFWSA-N 234.387 3.723 30 20 BHED C[C@H]1CCCC[C@H]1Nc1ccc(OCC#N)cc1 20126413 ATAHETRMWGMVRQ-SWLSCSKDSA-N 244.338 3.580 30 20 BHED C=CCc1ccccc1OCc1c(C)noc1C 24547984 MAFZUBNDAYKQAQ-UHFFFAOYSA-N 243.306 3.599 30 20 BHED C=CCSc1ccc2ccccc2n1 32537674 JMSFWBMDDAYXRZ-UHFFFAOYSA-N 201.294 3.513 30 20 BHED CCCC[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 37284459 KNNYHNIZZIJTEG-OLZOCXBDSA-N 230.355 3.788 30 20 BHED C=C(Cl)CN[C@H](C)c1cccc(Cl)c1 37978957 CFJPHVCOBVSVGB-SECBINFHSA-N 230.138 3.743 30 20 BHED C=C(C)CN(CC)CCOc1c(C)cccc1C 61758547 BULKKVFVWNQTGW-UHFFFAOYSA-N 247.382 3.580 30 20 BHED CCCCCC[C@@H](C)NCC1(CC#N)CC1 83853975 KQTKMIFUAYNDAW-CYBMUJFWSA-N 222.376 3.629 30 20 BHED CC[C@@H](C)C[C@H](C)NCc1cc(C#N)cs1 86500348 KNDXGACFZFTYKG-MNOVXSKESA-N 236.384 3.534 30 20 BHED C=CCC(CC=C)C(=O)N(C)C1CCCCCC1 122095411 UAKUGDKGULXMRL-UHFFFAOYSA-N 249.398 3.936 30 20 BHED C=CCC[C@@H](NC(=O)CC(C)C)c1ccccc1 134008079 YWAOSUICURAPNE-OAHLLOKOSA-N 245.366 3.856 30 20 BHED Cc1cccc(OCc2ccc(C#N)cc2)c1F 182964431 JOFMZRJUGBCSBW-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=C(CN[C@H](C)c1ccc(C)o1)c1ccccc1 211887552 HRJPUDMNTHWEGO-CQSZACIVSA-N 241.334 3.952 30 20 BHED CC(C)[C@H](C)SCc1ccccc1C#N 231193670 BVQHPEJOETUJDO-NSHDSACASA-N 219.353 3.836 30 20 BHED C[C@@H](CCC#N)N1CCC[C@H]1c1cccs1 276351366 WNDBXZIEYGJGKM-RYUDHWBXSA-N 234.368 3.577 30 20 BHED C=CCC1(C(=O)Nc2cscc2C)CCC1 276866669 ZQBUBIYSXAJLMQ-UHFFFAOYSA-N 235.352 3.741 30 20 BHED CC[C@](C)(C#N)C(=O)O[C@H](C)c1cccc(C)c1 287329771 FVIYNLMBXDUCNE-IUODEOHRSA-N 245.322 3.539 30 20 BHED CCCC[C@H](Nc1ccc(C#N)cn1)C1CCC1 301596663 GKJHTFZUQCUMGC-AWEZNQCLSA-N 243.354 3.724 30 20 BHED CC(C)(C#N)CCCN1CCC2(CCC2)CC1 308741372 DCECPMYZCDDSGV-UHFFFAOYSA-N 234.387 3.582 30 20 BHED Cc1ccc(Nc2ccc(C#N)c(C)n2)cc1C 311065482 XYJPCDODWLRTNM-UHFFFAOYSA-N 237.306 3.622 30 20 BHED C=C(CC)CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 313498631 FXTPIOFNXRLJAX-AWEZNQCLSA-N 248.326 3.602 30 20 BHED C=CCn1c(C)c(C(C)C)c(=O)c2ccccc21 335289808 QRLODRJQEQLALP-UHFFFAOYSA-N 241.334 3.619 30 20 BHED C[C@H](NCCCC#N)c1ccccc1C(C)(C)C 346806139 JKRDRBRFSMHSEQ-ZDUSSCGKSA-N 244.382 3.938 30 20 BHED CCCC[C@@H](CC)CN1CCC[C@@H](CC#N)C1 397714876 QHBYSBQZGXLOON-CABCVRRESA-N 236.403 3.828 30 20 BHED C=CCCC[C@H](C)NC(=O)c1ccc(C)cc1F 398159461 VRIIBPFNMPGVSN-LBPRGKRZSA-N 249.329 3.609 30 20 BHED CC(C)Oc1ccccc1CSCCC#N 413013452 OFMSPTITIZMNQH-UHFFFAOYSA-N 235.352 3.621 30 20 BHED C=CCC[C@@H](CCC)N[C@H](C)C(C)(F)F 449416913 WFSZCAPZJSHHON-GHMZBOCLSA-N 219.319 3.755 30 20 BHED C=CCC1(CNCc2ccc(C)nc2)CCCC1 449607504 XTVRPMKAUYLUBD-UHFFFAOYSA-N 244.382 3.616 30 20 BHED N#CC1(COc2ccc(Cl)cc2F)CCC1 450711390 ROHKKLFZQKBUIZ-UHFFFAOYSA-N 239.677 3.552 30 20 BHED C=CCC[C@H](CCC)N[C@H](C)CC(C)(C)OC 462118008 NKJATCFQEYXVOL-KGLIPLIRSA-N 241.419 3.915 30 20 BHED C=C(C)CN1C[C@H](C)C[C@H]1c1cccc(F)c1 472237861 HYHWCMMDGDJKSF-DOMZBBRYSA-N 233.330 3.785 30 20 BHED C=CCCC[C@H](C)NC(=O)C(C)(C)C(C)C 474165393 TYZLCDFMRKXFLB-LBPRGKRZSA-N 225.376 3.530 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@H](C)C(CC)CC 489979884 PYJBEJFXMKTSRR-LBPRGKRZSA-N 239.403 3.777 30 20 BHED C=C(C)CCOc1ccc(CC)cc1[N+](=O)[O-] 505534139 UTECYZMQUAUTIV-UHFFFAOYSA-N 235.283 3.502 30 20 BHED C=C(C)CN(C)Cc1ccc(Cl)c(C)c1 507851319 JZGJZOAZYHHLDY-UHFFFAOYSA-N 223.747 3.656 30 20 BHED C=C(C)CNCc1cc2cc(C)c(C)cc2o1 512375115 MDNDUBCMNAJCAX-UHFFFAOYSA-N 229.323 3.715 30 20 BHED C=C(C)CN1C[C@H](C)C[C@H]1c1ccccc1 513228379 JWFIFNJCKSRURN-HIFRSBDPSA-N 215.340 3.646 30 20 BHED CC(C)(C#N)CCN1CCCC12CCCCC2 538469327 OILYHQNCUTYKHR-UHFFFAOYSA-N 234.387 3.725 30 20 BHED N#CCC1CCN(CCCC2CCCC2)CC1 542879205 LOGRFPYFAPWDDL-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=CCN[C@@H](C)C1(c2ccccc2)CCCC1 548496336 MBDNHODXNUWBPI-AWEZNQCLSA-N 229.367 3.663 30 20 BHED C=CCCN[C@@H](C)c1ccc(SC)c(F)c1 658116343 JGKDBOOHHPVTCH-JTQLQIEISA-N 239.359 3.774 30 20 BHED C=CCCNC(=O)Nc1cccc(C(C)C)c1 665263956 YWCDUYXLYUZDTK-UHFFFAOYSA-N 232.327 3.508 30 20 BHED C=CCC(CC=C)C(=O)N[C@H](C)c1ccsc1 669862208 BANZMYRFNRVSKI-LLVKDONJSA-N 249.379 3.694 30 20 BHED C[C@@H](C#N)CNN=C1CCC[C@H](C(C)(C)C)CC1 746577877 INLNBZCGWHURFC-STQMWFEESA-N 249.402 3.718 30 20 BHED CCCCCCCCC(=O)N1CC[C@@H](C)[C@H]1C 752390875 RXIJHZSYCFGXBQ-ZIAGYGMSSA-N 239.403 3.994 30 20 BHED C#CCCCN1CC[C@@H](C)Sc2ccccc21 766907824 SYCAEHZPUAGLCO-CYBMUJFWSA-N 245.391 3.791 30 20 BHED C=CCC[C@H](Nc1ccc2c(c1)OCO2)C1CC1 776767240 BPJDWEPKIMZMGU-ZDUSSCGKSA-N 245.322 3.572 30 20 BHED C#CCCCCCC(=O)N(CC)C1CCCCC1 779772859 LAOLZVVPBPPWQP-UHFFFAOYSA-N 249.398 3.751 30 20 BHED C[C@@H](NN=C[C@]1(C)CCCS1)c1ccccc1 792988696 XHRCPMZJCHYCOV-OCCSQVGLSA-N 248.395 3.609 30 20 BHED FCC[C@H]1CCCC1=NNc1cccc(F)c1 794901216 KCSLCRQVGXKGGU-SNVBAGLBSA-N 238.281 3.753 30 20 BHED COCCCON=C[C@@H](C)CC1CCCCC1 795053224 KAHDTTVOIHGBBL-ZDUSSCGKSA-N 241.375 3.632 30 20 BHED CC[C@@H]1CCCC(=NOC/C=C\Cl)C1 811671138 AJNANRHWUHWVDE-QBQVFOLUSA-N 215.724 3.712 30 20 BHED Cc1cc(C=NOCCC2CC2)c(C)n1C1CC1 814247157 UDLUKGYMJRLXRI-UHFFFAOYSA-N 246.354 3.590 30 20 BHED CC(F)(F)CC/N=C/c1cc(Cl)ccc1O 840705842 FWFGUECCLKPAEF-VIZOYTHASA-N 247.672 3.510 30 20 BHED CCCCCCCC[S@@](=O)CC1CC1 840883323 LJDCOWQTFQISJR-CQSZACIVSA-N 216.390 3.506 30 20 BHED N#Cc1ccc(CNc2ccc3occc3c2)cc1 864017637 VSFAPBBFBOPQBP-UHFFFAOYSA-N 248.285 3.917 30 20 BHED C=C(Cl)CN1c2ccccc2CC[C@@H]1CC 1559637519 RYSVFEOHRLWMGK-ZDUSSCGKSA-N 235.758 3.970 30 20 BHED CC[C@H](CC#N)NCc1ccc(C(C)(C)C)cc1 54182155 LVHTWDMRLJKNEA-OAHLLOKOSA-N 244.382 3.766 30 20 BHED CC(C)(C#N)CCSc1cc(F)ccc1F 87596247 QTTIDUZXBVJSKH-UHFFFAOYSA-N 241.306 3.997 30 20 BHED C=CCCOCCN[C@H](C)c1cc(C)cc(C)c1 90883448 JTDCUUKOLXJEKZ-OAHLLOKOSA-N 247.382 3.547 30 20 BHED Cc1ccccc1[C@H](NCCCCC#N)C(C)C 91319629 WGNBGBWJQGUSEH-MRXNPFEDSA-N 244.382 3.976 30 20 BHED Cc1ccc(N(C)CCCCC#N)cc1Cl 113256046 NTSVORHMERCYEA-UHFFFAOYSA-N 236.746 3.779 30 20 BHED C=CCCCCCN(C)C(=O)N(CC)C(C)C 118985501 XQAPNLPQHCKMTF-UHFFFAOYSA-N 240.391 3.515 30 20 BHED CCCCCC(=O)O[C@@H](C)c1ccc(C#N)cc1 175760360 WUDOKWTZDCSOIH-LBPRGKRZSA-N 245.322 3.743 30 20 BHED C=CCCCC(=O)O[C@H](C)c1ccc(C#N)cc1 175789251 TZOBRWBXBZGVBC-GFCCVEGCSA-N 243.306 3.519 30 20 BHED C=C(C)CN(C)C(=O)CC[C@@H](C)c1ccccc1 180425297 HZTMNNLNLZZDIS-CQSZACIVSA-N 245.366 3.605 30 20 BHED C[C@H](SC[C@H]1CCCO1)c1cccc(C#N)c1 190783582 JAVQBMHGHWLIQR-SMDDNHRTSA-N 247.363 3.531 30 20 BHED C=CCS[C@@H](C)c1cccc(C#N)c1 190799492 PNCAILWUEBFZOE-JTQLQIEISA-N 203.310 3.538 30 20 BHED C=CC[C@H](C)[C@H](C)NC1CC(C(F)(F)F)C1 309726473 DFPUBKUURCHBFU-SAAXCQNUSA-N 235.293 3.518 30 20 BHED C[C@H](SCCC#N)c1c(F)cccc1F 357402860 BGPQBLNIDZRFLJ-QMMMGPOBSA-N 227.279 3.673 30 20 BHED N#CCCCCN1CCC(C2CCCC2)CC1 377922551 XXPFXHUEXGCNDR-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=C(C)CCN[C@H]1CCC[C@@H](C(F)(F)F)C1 386738310 XNUPRXDJXFDTOE-MNOVXSKESA-N 235.293 3.663 30 20 BHED C=CC[C@@H](CC)NC(=O)C[C@H](C)C(C)(C)C 410134248 HHZZBGVPMGNTPP-NWDGAFQWSA-N 225.376 3.530 30 20 BHED N#CC1(CCN2CC[C@@H](C3CC3)C2)CCCCC1 411413949 LGQDJXIBVMOHNY-OAHLLOKOSA-N 246.398 3.582 30 20 BHED Cc1cc(OCc2ccc(F)cc2)ccc1C#N 434647021 SFHHHOQAKWCOJP-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=CCC1(C(=O)N2CC[C@H](C)[C@@H]2C)CCCCC1 450037407 FYQCGKMDAMSQKN-KBPBESRZSA-N 249.398 3.770 30 20 BHED C=CC[C@H](CC)NC/C=C/c1ccc(F)cc1 466384635 UYFWLYFRAQFPIV-ZKKXHLJNSA-N 233.330 3.783 30 20 BHED CCCCN(Cc1ccc(C#N)c(C)c1)C1CC1 486702592 CJBFUSZOPXEZAZ-UHFFFAOYSA-N 242.366 3.631 30 20 BHED N#Cc1c(F)cccc1CSc1ccccc1 488272312 MSRLKNPAWIASII-UHFFFAOYSA-N 243.306 3.990 30 20 BHED C=C(C)CCc1noc(C[C@@H]2C[C@H]3CC[C@H]2C3)n1 508667863 VNGOBXPOBOAIMK-AVGNSLFASA-N 246.354 3.557 30 20 BHED Cc1ccc2sc(-c3ccc(C#N)o3)nc2c1 524728736 UDEQRMWMPFFLSS-UHFFFAOYSA-N 240.287 3.736 30 20 BHED C=C(CC)COc1c(F)cccc1Cl 539118649 UVJORBCQWTUTMF-UHFFFAOYSA-N 214.667 3.824 30 20 BHED Cc1cnc(SCCC(C)(C)C#N)c(C)c1 594916234 FNSOISQJIUKIGT-UHFFFAOYSA-N 234.368 3.730 30 20 BHED N#CC[C@@H]1CCCN(CC2CCCCCC2)C1 595620723 PIQNLNJUHUQXDW-HNNXBMFYSA-N 234.387 3.582 30 20 BHED C[C@H](CCC#N)CN[C@H](c1ccccc1)C1CC1 602503818 RRINWHRIFCPZOZ-CZUORRHYSA-N 242.366 3.667 30 20 BHED C=CCC[C@@H](CC)NCCc1ncc(C)cc1C 655808859 KHVNCSMRMVTYAV-OAHLLOKOSA-N 246.398 3.575 30 20 BHED C=CCN(CCC(=O)c1ccccc1)C(C)(C)C 661756992 AKPYSXUUICRQKX-UHFFFAOYSA-N 245.366 3.546 30 20 BHED C=CCN(CCC(C)C)Cc1cccs1 673090763 GYLRPNCSDDFHTL-UHFFFAOYSA-N 223.385 3.782 30 20 BHED C=CCCOC(=O)CCCCc1ccc(C)cc1 729072767 YQLOOKGZEVOXKT-UHFFFAOYSA-N 246.350 3.827 30 20 BHED CON=Cc1cccc(-c2ccccc2C)c1 729635339 OOFGUHPFWMJKND-UHFFFAOYSA-N 225.291 3.642 30 20 BHED CCCC[C@@H](CC)NCc1cc(C#N)ccc1F 773030381 QIEYAMSCYVDSTP-CQSZACIVSA-N 248.345 3.756 30 20 BHED C=CCCC[C@@H](C)NC(=O)C=C1CCCCC1 775924492 AQOHCQVOXAGMMX-CYBMUJFWSA-N 235.371 3.738 30 20 BHED C1=C[C@H]2C[C@H]1C[C@@H]2C=NOC1CCCCC1 777458892 KJYKTFWTXVQDOJ-RWMBFGLXSA-N 219.328 3.534 30 20 BHED N#C[C@H](OC(=O)C1=CCCCC1)C1CCCCC1 782458377 POMZWAVJWGOCOJ-AWEZNQCLSA-N 247.338 3.502 30 20 BHED C=CCCCCCOc1cccc(OC)c1C=O 783111362 QNIVBBCMHMUBHN-UHFFFAOYSA-N 248.322 3.633 30 20 BHED CCc1cccc(Cl)c1C=NN[C@H](C)CC 790184208 ZNLCHIGBNNNHDS-SNVBAGLBSA-N 238.762 3.624 30 20 BHED CCCNc1ccc(C#N)cc1NCC=C(C)C 809190075 WCGGHOSHWMIHKO-UHFFFAOYSA-N 243.354 3.758 30 20 BHED CC(=NNc1ccccc1F)c1ccccc1 812458919 NRUQGDFSEKTUGC-UHFFFAOYSA-N 228.270 3.662 30 20 BHED C=CCN(C(=O)[C@@H]1[C@H]2CCCCCC[C@H]21)C(C)C 826072313 XEFJVTAEDGAZQL-FICVDOATSA-N 249.398 3.626 30 20 BHED C=CCCC(C)(C)NC(=O)C1(F)CCCCC1 856372709 QVOQMQZSUQYARP-UHFFFAOYSA-N 241.350 3.520 30 20 BHED CCC(C=NNc1cccc(C)c1)CC 916255367 VYEQQGMRIKLQKB-UHFFFAOYSA-N 204.317 3.829 30 20 BHED CCC(=NNCc1ccccc1)c1cccs1 916344893 PJSDVGQOBCQHPU-UHFFFAOYSA-N 244.363 3.652 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1ccc(C)c(O)c1C 934761421 GPZHLHWHWGAAHI-LBPRGKRZSA-N 247.338 3.550 30 20 BHED CC(C)c1ccccc1CN1CCC[C@H](C#N)C1 1231877522 ILPOICXPFVSDAB-CQSZACIVSA-N 242.366 3.546 30 20 BHED CC(C)Oc1ccc(C=NOC(C)(C)C)cc1 1319583978 QXJAOTGOXGEQMN-UHFFFAOYSA-N 235.327 3.623 30 20 BHED CCC[C@@H](CC)C(=O)Nc1cccc(C#N)c1C 1435498078 WAICCDJGHBKBJR-GFCCVEGCSA-N 244.338 3.632 30 20 BHED N#Cc1cc(Cl)ccc1NC1CCCC1 52856678 IIKBUSSLFHYZGG-UHFFFAOYSA-N 220.703 3.566 30 20 BHED C[C@H](Cc1cccs1)Nc1ccc(C#N)cc1 70141013 RGYXBMXOZKKJSI-LLVKDONJSA-N 242.347 3.663 30 20 BHED Cc1ccc([C@@H](C)NCCC(C)(C)C#N)cc1 87591767 PIAGCHWMXCSXAJ-CYBMUJFWSA-N 230.355 3.586 30 20 BHED CC[C@H](NCCC(C)(C)C#N)c1ccccc1 87591901 BHHYKVHNIXVCEQ-AWEZNQCLSA-N 230.355 3.667 30 20 BHED C[C@H](NCCCC(C)(C)C#N)C1CCCCC1 87598115 UQJLPPVVHZBBHD-ZDUSSCGKSA-N 236.403 3.875 30 20 BHED C#CCCCCN[C@H](C)c1ccc(CC)s1 90398819 RPSGDYWETQSJGG-GFCCVEGCSA-N 235.396 3.765 30 20 BHED C=C[C@@H](C)N[C@H](CCC)c1ccc(OC)cc1 119318045 SHMBQMROAPTXLQ-IUODEOHRSA-N 233.355 3.701 30 20 BHED C=C(Cl)CN[C@@H](C)c1cccc(C)c1C 129806217 JFUJEPPVUZSSGV-LBPRGKRZSA-N 223.747 3.707 30 20 BHED N#Cc1ccc(CNc2cccc(Cl)c2)s1 135510395 BOHXWKQBTBNXEK-UHFFFAOYSA-N 248.738 3.885 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc2ccccc2c1O 168821263 UCKORSAJFUGFMD-VXGBXAGGSA-N 241.334 3.771 30 20 BHED C=CCCCC(=O)Nc1cccc2ncccc12 177466886 CGUDBFWPRRYOGP-UHFFFAOYSA-N 240.306 3.530 30 20 BHED C=C[C@@](C)(CC)C(=O)Oc1ccc(C)cc1OC 191802136 OGTXKYUJTYRVHS-HNNXBMFYSA-N 248.322 3.511 30 20 BHED C[C@H]1[C@H](C)CCC[C@H]1NCCCC(C)(C)C#N 246822920 JGNQGJZJPBVTDO-HZSPNIEDSA-N 236.403 3.731 30 20 BHED FC(F)c1cccc(CON=C2CCC2)c1 279895089 PFEBAVJNXOOQEH-UHFFFAOYSA-N 225.238 3.681 30 20 BHED C[C@@H](C#N)SCc1ccc(C(F)(F)F)cc1 279953704 NHURMSYHSYYMKS-QMMMGPOBSA-N 245.269 3.851 30 20 BHED N#CCCCCN1CCC[C@@H]1c1ccccc1 299597142 PVEMXZFZMSCCEO-OAHLLOKOSA-N 228.339 3.517 30 20 BHED C=CCCCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 311204089 LVSDNLKVNQXDRT-LBPRGKRZSA-N 248.326 3.602 30 20 BHED CC(C)(CCC#N)CNC(C1CCC1)C1CCC1 325021655 GIORGBKCHCWEJI-UHFFFAOYSA-N 248.414 3.875 30 20 BHED N#Cc1cnccc1/C=C/c1cc2ccccc2o1 349102442 AIWULEWVUIGDBH-AATRIKPKSA-N 246.269 3.870 30 20 BHED COCCCCSCCCCC(C)(C)C#N 350721643 WAZNOCPTOYANQV-UHFFFAOYSA-N 243.416 3.866 30 20 BHED C=C(C)CCN[C@@H](CC)c1ccccc1OC 351723616 ZTMLPZDAEWWNJV-AWEZNQCLSA-N 233.355 3.702 30 20 BHED CC[C@@H](C)CCC(=O)Nc1cc(C#N)ccc1C 352102247 KNKTZSCQMUOCEB-LLVKDONJSA-N 244.338 3.632 30 20 BHED C=CC[C@H](CC)NCc1ccc(Cl)s1 389228736 RZYHDELEYUSFGM-VIFPVBQESA-N 229.776 3.846 30 20 BHED C=CC[C@@H](C)[C@H](C)NCC(C)(C)CC=C 393444837 RHZHHTRLYICQOC-OLZOCXBDSA-N 209.377 3.779 30 20 BHED C=CC[C@H](CC)N[C@@H]1Cc2ccc(Cl)cc2C1 393788975 XPVRXSGXMOJIMP-LSDHHAIUSA-N 249.785 3.752 30 20 BHED C=C(C)C(C)(C)C(=O)N1CC(C2CCCCC2)C1 424851433 MILYQOQPWHEDCN-UHFFFAOYSA-N 249.398 3.627 30 20 BHED CC[C@@H](C)CN(CC)[C@H](C)c1cccc(C#N)c1 442687420 XYSFRXJZQQNPFA-ZIAGYGMSSA-N 244.382 3.987 30 20 BHED C=CCC1(C(=O)N2C[C@H](C)C[C@@H](C)C2)CCCC1 449045552 HEUWTARDPCENJF-ZIAGYGMSSA-N 249.398 3.627 30 20 BHED CC(C)=CCC[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 449443041 OWEFRZZXVPWFHS-RRFJBIMHSA-N 234.387 3.793 30 20 BHED C=CC[C@H](CC)NC[C@H]1C[C@@H]1c1ccccc1 466406447 WYBLDJCIVIBFHO-OWCLPIDISA-N 229.367 3.734 30 20 BHED C=CCCCCNC(=O)Nc1cccc(CC)c1 473498471 UJRMHERLFZOXKI-UHFFFAOYSA-N 246.354 3.727 30 20 BHED C=CCN(CC=C)C(=O)C[C@@H]1CCCCC1(C)C 502339953 JTTAXXLUPBLEAN-AWEZNQCLSA-N 249.398 3.794 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H]1CCC(C)(C)C1 543796824 PEXZHQYHVOOZMU-STQMWFEESA-N 237.387 3.674 30 20 BHED C=C(C)CN(CC)C(=O)[C@H](C)CCC(C)(C)C 544401870 WDGXXCAAKDNAEN-CYBMUJFWSA-N 239.403 3.873 30 20 BHED C=C(C)COc1ccc(C(F)(F)F)cc1F 565277805 XAQIUGMAUQDCPB-UHFFFAOYSA-N 234.192 3.799 30 20 BHED C=CCCN1CCC[C@@H](Cc2ccc(C)cc2)C1 577546171 ZJMNAXMTWLZFKZ-KRWDZBQOSA-N 243.394 3.826 30 20 BHED CC(C)=CCS[C@H](C#N)c1ccccc1 582312139 LEKSRXIZDIRGIX-CYBMUJFWSA-N 217.337 3.951 30 20 BHED CC(C)C[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 589343717 SEOPLQYOQIEOPH-LRDDRELGSA-N 242.366 3.570 30 20 BHED N#CCCCSCCc1c(F)cccc1F 592459846 FTBFNPXNHREFKD-UHFFFAOYSA-N 241.306 3.544 30 20 BHED C=CCC1(NCCCCC#N)CCCCC1 599609886 LNUJISGZVQLNGV-UHFFFAOYSA-N 220.360 3.549 30 20 BHED CCCCCN(C[C@@H](C)CCC#N)C(C)C 602441307 XBYGUVFXLHCVDW-AWEZNQCLSA-N 224.392 3.827 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H]1CCCC[C@H]1C 620864830 QBASQZHMSVZVDA-CHWSQXEVSA-N 237.387 3.674 30 20 BHED C=CCCN[C@H](C)c1ccc(OC)c(Cl)c1 656678585 AFTJEOCZJWFVCO-SNVBAGLBSA-N 239.746 3.575 30 20 BHED CC(C)CC[C@@H](C)N[C@H](C)CC(C)(C)C#N 695817912 WQGJQJLDTIRZHD-CHWSQXEVSA-N 224.392 3.729 30 20 BHED CCCCNN=C1CCC[C@@H]1CCC(C)C 727256299 XJRCJWUDDPFLSO-CYBMUJFWSA-N 224.392 3.968 30 20 BHED CCCCCCCC(=O)OCc1cccc(C)n1 736787287 OKRVRRYTCNZMRR-UHFFFAOYSA-N 249.354 3.794 30 20 BHED C=CCCC(C)=NNc1cccc([N+](=O)[O-])c1C 758106410 DZXGQOYLTNDZBY-UHFFFAOYSA-N 247.298 3.657 30 20 BHED CCC/C(C)=C\C(=O)Nc1cccc(C#N)c1C 770334834 WNJVHCQYQKXOMI-LUAWRHEFSA-N 242.322 3.552 30 20 BHED C[C@H]1CCCC1=NN[C@H]1CCCCC1(C)C 773122677 COIVLUZFBWMHDM-AAEUAGOBSA-N 222.376 3.721 30 20 BHED CO[C@H](C)C(C)=NNc1ccc(C(C)(C)C)cc1 779824882 HWYLBLLSBPRZGN-GFCCVEGCSA-N 248.370 3.807 30 20 BHED CC(C)(C)CCNN=CC1CCCCC1 782903703 ZAPLENMQZFURPC-UHFFFAOYSA-N 210.365 3.578 30 20 BHED C#Cc1ccc(CNc2ccc(C)c(C)c2)cc1 809595655 QNKBMXZUAPHWSJ-UHFFFAOYSA-N 235.330 3.897 30 20 BHED Cc1oc2ccccc2c1C=NOC/C=C\Cl 811668666 IXZCRSLEVUGCJY-OPXLJTMYSA-N 249.697 3.844 30 20 BHED Fc1ccc(/C=C\C=NOC/C=C/Cl)cc1 811671673 JPYXNQQBUJWWIA-PUAOQENSSA-N 239.677 3.594 30 20 BHED CC(C)Nc1ccc(OC(C)(C)C)c(C#N)c1 824722635 VHGKVPYPJHSNKQ-UHFFFAOYSA-N 232.327 3.556 30 20 BHED C=CCCCCNc1ccc(COC)cc1 834582162 XBYLFBXOXXJMDB-UHFFFAOYSA-N 219.328 3.601 30 20 BHED C#CC1CCC(=NNc2ccc(F)cc2F)CC1 853255456 CBGXUOGRDPUSKJ-UHFFFAOYSA-N 248.276 3.556 30 20 BHED CCCCCCCC(=O)N1CCC(C)(F)CC1 871073991 DAKIZVJAXJRCNT-UHFFFAOYSA-N 243.366 3.698 30 20 BHED C=CC(C)(C)CC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 879436545 RWPDBWQVSKUKLI-MJBXVCDLSA-N 249.398 3.626 30 20 BHED CCC(C=NN[C@@H](C)c1ccccc1)CC 920386121 QOHVPQXZTMTNIW-LBPRGKRZSA-N 218.344 3.759 30 20 BHED O=C1/C(=C/c2ccsc2)Cc2c(F)cccc21 921264276 PVYKSLJBSICDOS-UXBLZVDNSA-N 244.290 3.710 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc(C(C)(C)O)cc1 925433612 ZSRMAAZGWCIKMY-OLZOCXBDSA-N 247.382 3.529 30 20 BHED C=CCCOc1ccc(C)c2c1C(=O)C[C@@H]2C 1318694955 ABTLTBJWRXWOFS-NSHDSACASA-N 230.307 3.640 30 20 BHED C[C@@H]1C[C@H]1c1ccc(C=NOC(C)(C)C)o1 1319685005 JFYCQJABRIPDKI-MWLCHTKSSA-N 221.300 3.552 30 20 BHED C=CC[C@@H](CC)NCc1nccc2ccccc12 1334366017 ARMWMMYKZALGBA-CQSZACIVSA-N 240.350 3.679 30 20 BHED CC(=NOC(C)(C)C)c1cnc2ccsc2c1 1341307565 HISNTKDSQPLXKZ-UHFFFAOYSA-N 248.351 3.835 30 20 BHED O=C(/C=C\c1cccnc1)c1ccc(Cl)s1 57825175 JWRCLZPHNOPORO-ARJAWSKDSA-N 249.722 3.693 30 20 BHED C=CCSc1nnc(-c2ccc(C)cc2C)o1 66260617 CBEJYAWNPOULNE-UHFFFAOYSA-N 246.335 3.632 30 20 BHED C=CCCOCCN[C@@H](C)c1cc(C)cc(C)c1 90883449 JTDCUUKOLXJEKZ-HNNXBMFYSA-N 247.382 3.547 30 20 BHED CC(C)(C#N)CCCN[C@H]1CCCCC1(C)C 94325132 IONZRSDARCTKRR-ZDUSSCGKSA-N 236.403 3.875 30 20 BHED CCCCCCCCNCc1cccc(O)c1 105807493 YVXVBGQMQMESLO-UHFFFAOYSA-N 235.371 3.842 30 20 BHED C#CCCCCC(=O)N1CCCC[C@H]1CC(C)C 120271176 SGIJCBRKEATJSV-HNNXBMFYSA-N 249.398 3.607 30 20 BHED C=CCC[C@@H](C)N[C@H](C)Cc1cccs1 126742889 WWKQDQFXRFZSNB-VXGBXAGGSA-N 223.385 3.623 30 20 BHED C=CCC[C@H](C)Nc1ccc(C)c(NC(C)=O)c1 130604808 PIVBRGDKAJTLPK-LBPRGKRZSA-N 246.354 3.720 30 20 BHED C=C(Cl)CN[C@H]1CCCc2ccc(F)cc21 132867101 AUBKWMISLGSSIV-ZDUSSCGKSA-N 239.721 3.545 30 20 BHED C=CCOc1ccccc1CN[C@@H]1CC[C@H](C)C1 135182577 DNYSVYCTXCAKFE-DZGCQCFKSA-N 245.366 3.530 30 20 BHED Cc1ccc(C#N)c(N[C@H]2CCCC(C)(C)C2)n1 149826917 QHGJGADXPDSUES-ZDUSSCGKSA-N 243.354 3.642 30 20 BHED C=CCC[C@H](C)Nc1ccc(COC)cc1 193418269 LYNLNKULRAYIAW-LBPRGKRZSA-N 219.328 3.600 30 20 BHED CC[C@H](C)CSc1nccc(C#N)c1Cl 234043855 WPKUEWJYNJITGS-QMMMGPOBSA-N 240.759 3.745 30 20 BHED Oc1nc2ccccc2cc1C=Nc1ccccc1 254517921 MOMZRRPAWPBCKB-UHFFFAOYSA-N 248.285 3.691 30 20 BHED Cc1cc([C@@H](C)NCCC(C)(C)C#N)ccc1F 272013811 KZNRDKJTBZZLPA-GFCCVEGCSA-N 248.345 3.725 30 20 BHED C=CCCCCN[C@@H](C)c1sc(C)nc1C 274421884 HNDNXJJEDUJUOS-JTQLQIEISA-N 238.400 3.767 30 20 BHED C=CCCCCNCc1ccccc1Cl 309046125 NFPAYADQUJBSOJ-UHFFFAOYSA-N 223.747 3.786 30 20 BHED C=CCCCN[C@H](C)Cc1cccc(Cl)c1 309387372 FFALJPLXNZPZTD-GFCCVEGCSA-N 237.774 3.827 30 20 BHED C=CCCCCNc1nccc(C(C)(C)C)n1 310540263 BYWOTIDDZRUHHU-UHFFFAOYSA-N 233.359 3.542 30 20 BHED N#CCc1cccc(NCc2ccc(F)cc2)c1 313490132 GSOYKADLIZKKHU-UHFFFAOYSA-N 240.281 3.504 30 20 BHED CC/C=C\CCN(CCC#N)CCC(C)C 342183203 FCDCNPXPABKHFN-WAYWQWQTSA-N 222.376 3.604 30 20 BHED C[C@H](N[C@H](C)CC1CC1)c1ccc(C#N)c(F)c1 346166162 FDABRBXMXCOFAL-MNOVXSKESA-N 246.329 3.537 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cccc2[nH]ccc12 424641185 OKAXVNSQUOXIBV-UHFFFAOYSA-N 242.322 3.709 30 20 BHED N#C[C@H]1CC[C@@H](Sc2ccc3c(c2)CCC3)C1 430131829 MXAOKRLJGWJUOH-SMDDNHRTSA-N 243.375 3.960 30 20 BHED CC[C@@H](F)CSCCCC(C)(C)C#N 442545265 ILNOJEYFYQQLLD-SNVBAGLBSA-N 217.353 3.798 30 20 BHED C[C@H](SCC1(C#N)CC1)c1cccc(C#N)c1 443158318 YMPLXYRQVODTKG-NSHDSACASA-N 242.347 3.656 30 20 BHED C=C(C)CSCc1cccc(COC)c1 446940893 HXUMNZMYSSIZOQ-UHFFFAOYSA-N 222.353 3.642 30 20 BHED C=CCCCCCSc1ccccn1 447289285 XGUDACBKADNZKO-UHFFFAOYSA-N 207.342 3.920 30 20 BHED CC#CCCCC(=O)N[C@@H](C)[C@@H]1CCC[C@H](C)C1 457012552 SWZHDDALVYTYPS-SOUVJXGZSA-N 249.398 3.511 30 20 BHED CC#CCCN1[C@@H](C)Cc2cc(F)ccc2[C@H]1C 462337864 QZJJSJIKSMFOJT-QWHCGFSZSA-N 245.341 3.547 30 20 BHED C=C(C)CN(CCC)[C@@H]1CCc2ccccc2C1 517840877 YZUMESNZDOVDDK-QGZVFWFLSA-N 243.394 3.832 30 20 BHED C=C(CC)CSCC(=O)Nc1ccc(C)cc1 540193244 IYLNAAHUUCFMIQ-UHFFFAOYSA-N 249.379 3.633 30 20 BHED CC#CCCCC(=O)N[C@H]1CCCC[C@@H]1CCC 545220418 QMJIFGSGXRHGOP-GJZGRUSLSA-N 249.398 3.655 30 20 BHED C=CCN(C)[C@H](CC)c1ccc(Cl)cc1 548298590 QDBFZIVTCPAECA-CYBMUJFWSA-N 223.747 3.909 30 20 BHED CC(C)C1CCC(CN(C)[C@@H](C)CC#N)CC1 557521254 RYEZOBSMXCXEKT-NFOMZHRRSA-N 236.403 3.683 30 20 BHED C=C1CCN([C@H]2C=CCCCCC2)CC1 564741821 NWZIGEUNMPKTRW-AWEZNQCLSA-N 205.345 3.527 30 20 BHED C=C(C)CN(CC)c1nc2ccccc2s1 613424227 YXFKRDMACVVKFA-UHFFFAOYSA-N 232.352 3.699 30 20 BHED C=CCN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 613733709 WRYPMQGBDYCBDN-CQSZACIVSA-N 240.350 3.533 30 20 BHED C=C(C)CN(C)[C@H](C)c1cc(C)ccc1C 621281343 BRQHYIIZJZBPDB-CQSZACIVSA-N 217.356 3.872 30 20 BHED C=CCCC(C)(C)NCc1cccc(COC)c1 657805119 KTPMQIKAPGKSIP-UHFFFAOYSA-N 247.382 3.667 30 20 BHED C=CCC[C@@H](NCCCc1ccco1)C1CC1 658324962 IGQOCSOFHZORET-OAHLLOKOSA-N 233.355 3.547 30 20 BHED C=CCCN(C)C(=O)c1ccc(CC(C)C)cc1 682427554 YESFNMRQIPROML-UHFFFAOYSA-N 245.366 3.533 30 20 BHED Cc1cc(C)cc(CN[C@@H](C)CC(C)(C)C#N)c1 695787364 MGKLNYOTTQXUKZ-AWEZNQCLSA-N 244.382 3.721 30 20 BHED CC[C@@H]1C[C@H]1COc1cc(Cl)cc(C#N)c1 723130488 GYQZNGOJSNCQBP-MNOVXSKESA-N 235.714 3.637 30 20 BHED CCC(=NNc1ccccc1Cl)C1CC1 741160144 LJEXZZRMKQFSSN-UHFFFAOYSA-N 222.719 3.928 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cc(C)c(OC)cc1C 753678103 HDSAXANBIVWDLF-ZIAGYGMSSA-N 247.382 3.927 30 20 BHED COc1ccc(NN=C2CC(C)(C)C[C@H]2C)cc1 766025845 OSUDTGIZNDAKLZ-LLVKDONJSA-N 246.354 3.919 30 20 BHED Cc1cccc(/C=C/C(=O)c2sccc2O)c1 771743412 FIIXOMDYJIKVOI-AATRIKPKSA-N 244.315 3.658 30 20 BHED c1ccc2c(c1)SCCC2=NOC1CCCC1 774607289 FBISAHJMUUCEGO-UHFFFAOYSA-N 247.363 3.846 30 20 BHED CC(C)CC1CCN(CCC(C)(C)C#N)CC1 776585849 APIKXTFJLAHPFV-UHFFFAOYSA-N 236.403 3.684 30 20 BHED CC[C@H](C)CON=C(C)C1CCSCC1 793146022 NZQRSNIWFCFDLV-JTQLQIEISA-N 229.389 3.568 30 20 BHED CCCc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 799721210 WURJDVNBSUJJCA-ZFWWWQNUSA-N 228.339 3.743 30 20 BHED CSc1ccccc1CC(C)=NOC1CCC1 812235694 OHRCUCYWGLQYEQ-UHFFFAOYSA-N 249.379 3.896 30 20 BHED C=CCCCCCCNC(=O)[C@@H](C)C1CCC1 837651003 GMDIGFUFSWNMDD-ZDUSSCGKSA-N 237.387 3.675 30 20 BHED CC1CCC(=NOCc2ccc(F)cc2)CC1 854247716 HBWPAXKPQKVIOC-UHFFFAOYSA-N 235.302 3.908 30 20 BHED CCCCCCC(=O)Nc1cc(C#N)ccc1F 891448095 FLGHHRKCLDHKCG-UHFFFAOYSA-N 248.301 3.606 30 20 BHED C=C(CC(C)C)C(=O)Nc1cc(C)ccc1F 1123582072 GHYMXYNTMYXHPO-UHFFFAOYSA-N 235.302 3.675 30 20 BHED N#Cc1ccc2c(c1)N(CCCC1CCC1)CC2 1642594421 JCQRQWLLJIYLDA-UHFFFAOYSA-N 240.350 3.501 30 20 BHED C=CCOc1ccccc1CN[C@H](C)CCC 34991545 ZAMFVWJZZPVXHC-CYBMUJFWSA-N 233.355 3.530 30 20 BHED C=C(Cl)CN1CCC[C@@H]1c1ccsc1 46089343 VNJSZCIJPYRLHX-LLVKDONJSA-N 227.760 3.638 30 20 BHED N#Cc1c(F)cccc1Oc1ccc(F)cc1F 60355760 KOCZSGCEZYANDF-UHFFFAOYSA-N 249.191 3.768 30 20 BHED C=C(C)COC(=O)c1oc2c(C)cccc2c1C 64019583 AHRVUNYFXGZNKR-UHFFFAOYSA-N 244.290 3.783 30 20 BHED CC(C)(C)[C@@H]1CCCN(CC2(CC#N)CC2)CC1 88259563 HKINUJHKGGBXDW-CQSZACIVSA-N 248.414 3.828 30 20 BHED C=CCSCc1coc(-c2cccc(F)c2)n1 114756562 FJSKWLDVKKQEAZ-UHFFFAOYSA-N 249.310 3.900 30 20 BHED C=CCCN[C@H](c1ccccc1)C1CCC1 132934840 AILPLSMVJNTXKD-OAHLLOKOSA-N 215.340 3.694 30 20 BHED C=C(Cl)CN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 135831179 BKZHUGVMLPYCTJ-NQBHXWOUSA-N 227.779 3.543 30 20 BHED CCN(CC(C)(C)CCC#N)C1CCCC1 153684457 SGEMTSUXMXVZSX-UHFFFAOYSA-N 222.376 3.581 30 20 BHED C=CCCCCCN(C)C(=O)c1ccsc1 156854689 ABOAPOPCILEXHU-UHFFFAOYSA-N 237.368 3.567 30 20 BHED C=CCCCC(=O)N[C@H](C)c1ccccc1C 175086158 LMRZWHGTDBGPGI-CYBMUJFWSA-N 231.339 3.529 30 20 BHED CC(C)CCCSC[C@H](C#N)CCC#N 180797895 WERJPMGCZGQSNN-LBPRGKRZSA-N 224.373 3.599 30 20 BHED C=CCCN[C@H](C)c1cccc(C)c1C 183715445 NGPQCFSUPJYYBT-CYBMUJFWSA-N 203.329 3.530 30 20 BHED CCC[C@@H](CC)Nc1nccc(C#N)c1Cl 233285155 CQMNAEMALKLHSV-SNVBAGLBSA-N 237.734 3.597 30 20 BHED N#Cc1ccccc1CSCCC(F)(F)F 265871031 MIXKAIHWRUGYIN-UHFFFAOYSA-N 245.269 3.744 30 20 BHED C=CCC[C@H](C)N[C@@H](CCC#N)c1ccccc1 273491816 OKFSKNGANXTVTL-HOCLYGCPSA-N 242.366 3.976 30 20 BHED CC[C@]1(c2ccc(Cl)c(Cl)c2)O[C@@H]1C#N 306585874 KKQXJAIRAGRKJY-GHMZBOCLSA-N 242.105 3.521 30 20 BHED C=CCC[C@@H](CCC)NC1(C2CC2)CC1 309200405 RGPAQHOFNZJYLS-CYBMUJFWSA-N 207.361 3.654 30 20 BHED N#CC1(CSc2ccc(Cl)cn2)CCC1 334656154 VEWRTSOSBLAMRN-UHFFFAOYSA-N 238.743 3.521 30 20 BHED C=CCC[C@H](NCC1(C)CC1)c1ccco1 336746611 RNWZXPIWCCPJAG-LBPRGKRZSA-N 219.328 3.677 30 20 BHED C=CCCSC[C@H](OC)c1ccccc1 339090091 CVBTWRZILOSUEM-ZDUSSCGKSA-N 222.353 3.683 30 20 BHED C=CCCCCN[C@H](C)c1ccc(F)cc1O 379769477 OPFMWRRGEPSCJU-LLVKDONJSA-N 237.318 3.538 30 20 BHED C=CC[C@H](CC)N[C@@H](C)CC1CCCC1 380000895 MTPRSBKIRWBHCD-JSGCOSHPSA-N 209.377 3.900 30 20 BHED C=C(C)[C@@H]1OCC[C@@H]1CNC(CCC)CCC 436302409 UKRCFBBCKIMMLB-HIFRSBDPSA-N 239.403 3.526 30 20 BHED C=CCCCCCN(C)C(=O)C[C@@H]1CC[C@@H]2C[C@H]12 449915834 POMKWITWKBVWFP-ILXRZTDVSA-N 249.398 3.627 30 20 BHED C=CCC[C@H](CCC)NCCC1CCOCC1 462121261 NDXFILWWXCRRJG-HNNXBMFYSA-N 239.403 3.528 30 20 BHED C=CCC[C@H](CC)N[C@@H](CO)CCC(C)(C)C 475678506 BXKPOGYUVCOICO-UONOGXRCSA-N 241.419 3.508 30 20 BHED C=CCC(C)(C)CNC(=O)[C@H]1CC12CCCCC2 489933047 IWFFXAVRYBERFP-CYBMUJFWSA-N 249.398 3.675 30 20 BHED C=C(C)CCN(C)[C@@H](C)c1ccccc1 509248071 QERHJVXXNHWHGN-ZDUSSCGKSA-N 203.329 3.646 30 20 BHED C=CCC(C)(C)C(=O)N(C)[C@H]1CCC(C)(C)C1 510888476 WCKYQKAYQCGCIV-LBPRGKRZSA-N 237.387 3.626 30 20 BHED C=C[C@](C)(CC)c1nc(CCC(C)C)no1 520456493 HOHQVXQHHVERGV-CYBMUJFWSA-N 222.332 3.512 30 20 BHED C=CCCC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 588023184 HBXDOCCTYMBVKR-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=CCCN[C@H]1CC2(CCC2)Oc2ccccc21 658116670 NCUSKOLJAKXJQP-AWEZNQCLSA-N 243.350 3.599 30 20 BHED C#C[C@H](NCc1coc2ccccc12)C(C)(C)C 702244073 GFXRNGSLRACCKJ-HNNXBMFYSA-N 241.334 3.570 30 20 BHED CCCCCCCN[C@H]1CCO[C@H](C(C)C)C1 703742916 CXHCQDRIRGHFIS-GJZGRUSLSA-N 241.419 3.750 30 20 BHED C[C@H]1CCCC(=NNCCCc2ccccc2)C1 729146028 KIGXQRRZKOGWFW-AWEZNQCLSA-N 244.382 3.775 30 20 BHED CCCCCCCC(=O)N1CC[C@@](C)(CC)C1 758669136 BPIYCRMRXZVEOH-OAHLLOKOSA-N 239.403 3.996 30 20 BHED CC(C)CC[C@H]1CCCC1=NOCC(F)F 758900218 SHZCBHRZBPRKEG-SNVBAGLBSA-N 233.302 3.860 30 20 BHED C#CCCCCCC(=O)Nc1cc(F)ccc1C 779714026 AIUIKCPJUPTBDD-UHFFFAOYSA-N 247.313 3.656 30 20 BHED Cc1cccc(NN=C[C@@]2(C)CCCS2)c1 792873062 SBYNYHHMTFWPHF-CYBMUJFWSA-N 234.368 3.678 30 20 BHED CCC[C@@H](C)C(CC)=NNCCC(F)(F)F 794545580 MPSCKYSDJMNBLI-SECBINFHSA-N 238.297 3.731 30 20 BHED C=CC[C@@H](CC)NC(=O)C=C1CCC(C)CC1 798551146 MVDONXYLFBGKIJ-TYZXPVIJSA-N 235.371 3.594 30 20 BHED C[C@@H]1CC(=NNCC2CCCC2)C[C@H](C)C1 808006340 UNAUKZKOPFBXLC-TXEJJXNPSA-N 222.376 3.578 30 20 BHED C#C[C@H](N[C@H](C)CC1CC1)c1ccc(Cl)cc1 811516392 NFQYBWHHHAEWQC-ABAIWWIYSA-N 247.769 3.793 30 20 BHED FC(F)CON=Cc1ccc(C2CCC2)cc1 814904164 VYHJDNAICDRCQS-UHFFFAOYSA-N 239.265 3.570 30 20 BHED CC(=NNc1ccc(F)c(F)c1F)C1CCC1 814945738 NQRFUCQCVGLLOF-UHFFFAOYSA-N 242.244 3.692 30 20 BHED CCCCCCC[S@@](=O)CC(C)(C)C 840871663 FDMVWZNTPHOALR-CQSZACIVSA-N 218.406 3.752 30 20 BHED C=C(Cl)CN[C@H](C)[C@@H]1C[C@H]1c1cccs1 841746858 BYHXLJASFUAMOW-OUAUKWLOSA-N 241.787 3.582 30 20 BHED FC1(F)CCC(=NOC2CCCCC2)CC1 842531188 HPUMLPWTCZXPTF-UHFFFAOYSA-N 231.286 3.901 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1cccc(O)c1F 872068411 HGDRTBOCNAONRX-WDEREUQCSA-N 237.318 3.537 30 20 BHED Cc1cn(CCCCC2(C#N)CCC2)cc1C#N 902719720 RNUDEYFLGNWXMP-UHFFFAOYSA-N 241.338 3.532 30 20 BHED CC1=CC(=NNc2ccccn2)CC(C)(C)C1 916275948 BTDNTQITMRIOKP-UHFFFAOYSA-N 229.327 3.616 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)C[C@@H](C=C)CC 1337549122 BJTGGYALOGDGMQ-UONOGXRCSA-N 235.371 3.546 30 20 BHED CCC[C@@H](C)CC(=O)O[C@@H](CC#N)c1ccco1 1346720805 ZBWHUEWXOWRCMQ-YPMHNXCESA-N 249.310 3.604 30 20 BHED C=CCC(CC=C)C(=O)O[C@H](C)c1ccoc1 1350374400 GWABNDYWHVLEOL-LLVKDONJSA-N 234.295 3.652 30 20 BHED Cc1ccc(C#N)c(Sc2ccccc2F)n1 43400710 VXNHITXTZZKSCJ-UHFFFAOYSA-N 244.294 3.552 30 20 BHED C=C(Br)CN(C)C1CCCCCC1 52440052 ROWJIIIXANOTBI-UHFFFAOYSA-N 246.192 3.550 30 20 BHED C[C@@H](NCC1(CC#N)CC1)c1ccc(Cl)cc1 88249757 XUFQFYNSXALXJM-LLVKDONJSA-N 248.757 3.684 30 20 BHED CC[C@@H](C)C[C@@H](C)NCc1ccc(C#N)cc1F 88297371 PEKRPIRNPCFRLK-VXGBXAGGSA-N 248.345 3.612 30 20 BHED C#CCCCCC(=O)N[C@@H]1CCC[C@@H]1CCCC 119798652 KMGCXZIBVMGHKM-LSDHHAIUSA-N 249.398 3.655 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)CCc1ccc(O)cc1 130574769 PJGDWIVBELGNRP-KGLIPLIRSA-N 247.382 3.658 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 157258960 ZVQXFZQASYXFNM-IUCAKERBSA-N 227.710 3.704 30 20 BHED C#CCCCNc1ccc(Cl)c(Cl)c1 161047010 JEHUJBWJZXFKKL-UHFFFAOYSA-N 228.122 3.819 30 20 BHED C=CCCCC(=O)N(C(C)C)C1CCCCC1 175667673 KEGJLYNFUFPILX-UHFFFAOYSA-N 237.387 3.912 30 20 BHED Cc1cccc([C@@H](C)NCCCCC#N)c1C 178641919 SHKBWUWECXXIFO-CQSZACIVSA-N 230.355 3.648 30 20 BHED CC(C)CCN(C)[C@H](C)c1cccc(C#N)c1 188082973 SVJVNXPRCQRXLC-CYBMUJFWSA-N 230.355 3.597 30 20 BHED CCN(CC[C@@H](C)c1ccccc1)C[C@H](C)C#N 249051882 XSJCPTWWHKHDCE-HUUCEWRRSA-N 244.382 3.662 30 20 BHED CN(CCCC#N)C1CCC(C(C)(C)C)CC1 259868596 GZAYBRNCMRUOHR-UHFFFAOYSA-N 236.403 3.827 30 20 BHED C=CCC[C@@H](NCC(=C)Cl)c1ccco1 285932509 CZBCZAUMTPJFLP-LLVKDONJSA-N 225.719 3.629 30 20 BHED CCCCCC[C@@H]1CCC[C@H]1NCCC#N 309617772 CFGBFGFUBOYPAN-ZIAGYGMSSA-N 222.376 3.629 30 20 BHED C=CCC[C@@H](N[C@H]1CCC(C)(C)C1)C1CC1 309830532 YKOGAAJNWGMFIK-UONOGXRCSA-N 221.388 3.900 30 20 BHED C=CCCCCN[C@H](C)Cc1ccc(F)cc1 310405806 VQMRSYWLXHSKTF-CYBMUJFWSA-N 235.346 3.703 30 20 BHED Cc1nc(NC2(C)CCCC2)c(Cl)cc1C#N 310512369 KKJNCOAOLZBGPH-UHFFFAOYSA-N 249.745 3.660 30 20 BHED N#CC1(CN2CCCC[C@H]2c2ccccc2)CC1 334839071 LPHKEKGFGSOOND-HNNXBMFYSA-N 240.350 3.517 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1cnccc1C 344281048 AGWYXIGSHORCJO-KBPBESRZSA-N 232.371 3.785 30 20 BHED CN(Cc1ccccc1C#N)[C@@H]1CCC(C)(C)C1 355588713 XTGGIYJYVMHKLA-OAHLLOKOSA-N 242.366 3.569 30 20 BHED CC[C@H](Nc1ccc(CC#N)cc1)[C@H]1CC1(C)C 397784976 OZOXDZNCPOPHNK-CABCVRRESA-N 242.366 3.989 30 20 BHED CN(CCC(C)(C)C)Cc1ccc(C#N)c(F)c1 404050768 FARFEYMIOYSIML-UHFFFAOYSA-N 248.345 3.565 30 20 BHED C=CCCCSC1CC(OC(C)C)C1 419430479 VXKDMNHMPZIPGG-UHFFFAOYSA-N 214.374 3.642 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1OC 421832897 GSGFKZFMLFXZOY-ZJUUUORDSA-N 239.746 3.574 30 20 BHED CC[C@H](F)CSCc1ccc(C#N)c(C)c1 442547140 UKWIODWWKHNSNH-ZDUSSCGKSA-N 237.343 3.848 30 20 BHED CSCc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1 442865297 HSWPLBJNXONARI-TZMCWYRMSA-N 246.379 3.654 30 20 BHED C[C@H](CC1CCCCC1)N[C@H]1CC[C@@H](C#N)C1 442874446 MCYNYCNKUQIKDM-YUELXQCFSA-N 234.387 3.627 30 20 BHED C=CCCCC(=O)Nc1cc2[nH]ccc2cc1C 444451341 UZRDRGAZRIHZQN-UHFFFAOYSA-N 242.322 3.771 30 20 BHED CCC(CC)N(Cc1ccc(C#N)cc1)C1CC1 523223548 JDTHSKKWDGCCKN-UHFFFAOYSA-N 242.366 3.711 30 20 BHED C=CCCN1CC[C@@H](Cc2ccccc2)[C@@H]1C 530866276 IAJYVYLTMSHGDR-HOCLYGCPSA-N 229.367 3.516 30 20 BHED C=C(CC)COc1ccc(F)c2c1C(=O)C[C@H]2C 539095867 OGTDPRVOFLOULR-SNVBAGLBSA-N 248.297 3.861 30 20 BHED C=CCCCc1nc(-c2sccc2C)no1 575788067 FQBCMSUDYLWNRK-UHFFFAOYSA-N 234.324 3.615 30 20 BHED CC#CCN(C)[C@H](C)CCSc1ccccc1 580846944 HDWMMRADILGELX-CQSZACIVSA-N 247.407 3.512 30 20 BHED CC(C)CS[C@H](C#N)c1ccccc1 582192210 BMTMZECZYZNYTC-GFCCVEGCSA-N 205.326 3.640 30 20 BHED N#Cc1ccc(CCSC2CCCC2)cc1 594879146 RAPDPWNLGYILRX-UHFFFAOYSA-N 231.364 3.777 30 20 BHED C=CCSC[C@@H]1CCCCC1(F)F 596338787 XNXFTGOARKPODZ-VIFPVBQESA-N 206.301 3.731 30 20 BHED C=CCCN(CCCC)C1CCCCC1 606897286 FTXSLGRHEZYMJT-UHFFFAOYSA-N 209.377 3.997 30 20 BHED C[C@@H](c1ccc(C#N)cc1)N1CCC(C)(C)CC1 609823582 QXJXGORKIQNSCY-ZDUSSCGKSA-N 242.366 3.741 30 20 BHED CCCNN=C(C(C)C)C1CCCCC1 733901145 DYOFSCNWUAEYKM-UHFFFAOYSA-N 210.365 3.578 30 20 BHED C=CCCCOC(=O)/C=C\Sc1ccccc1 735526827 BJNTVFTUFYQUAJ-BENRWUELSA-N 248.347 3.802 30 20 BHED C=C(C)CCOC(=O)CC(C)(C)c1ccccc1 744302924 HXPVUCUVAUFNMZ-UHFFFAOYSA-N 246.350 3.864 30 20 BHED Cc1cc(F)ccc1C=NOCc1ccccc1 750932447 LAQPFCUAZBIMGY-UHFFFAOYSA-N 243.281 3.685 30 20 BHED Fc1ccccc1CCNN=C1CCCCCC1 764716780 KNKOWUPTHSMUED-UHFFFAOYSA-N 248.345 3.668 30 20 BHED C#CCCCCC(=O)O[C@@H](C)c1ccc(C)cc1 773805383 YJCVWHWNNKIMPG-AWEZNQCLSA-N 244.334 3.793 30 20 BHED C=C(C)CN(C)C(=S)Nc1cc(C)ccc1C 777919978 ZKPKDCWSYPWIKO-UHFFFAOYSA-N 248.395 3.508 30 20 BHED C#C[C@H](CCC)NC(=O)C[C@H](CC)CCCC 791745564 PHNULPIGHZLLBI-ZIAGYGMSSA-N 237.387 3.511 30 20 BHED CC[C@H](C)CON=C[C@@H]1C[C@H]1c1ccccc1 793144688 FOZGMMXANKFVEN-QEJZJMRPSA-N 231.339 3.839 30 20 BHED C=C(C)COC(=O)CC1CC(c2ccccc2)C1 798733310 MGTHYOBJLQWUCH-UHFFFAOYSA-N 244.334 3.690 30 20 BHED C#C[C@H](CC)N[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 809686339 MIHJQYBEHPAVKQ-TYNCELHUSA-N 249.785 3.833 30 20 BHED C/C(C=NOC1CCC1)=C\c1ccccc1 812236684 SBSITKTULOZRAL-HUAZBFQKSA-N 215.296 3.645 30 20 BHED C[C@H]1CCC(=NNc2ccc(F)cc2F)C1 814686515 KTXALMBFROOSQB-QMMMGPOBSA-N 224.254 3.553 30 20 BHED CC[C@@H](C)NN=Cc1c(F)cc(C)cc1Cl 841637293 HMQJSAYPSWXVIY-SECBINFHSA-N 242.725 3.510 30 20 BHED N#C[C@H]1CC[C@@H](Sc2ncc(Cl)s2)C1 850000396 TXGRBSMLTSBSSL-NKWVEPMBSA-N 244.772 3.581 30 20 BHED Cc1ccncc1-c1ccc(C2(C#N)CC2)cc1 871889261 GOINFBLRAUEEPF-UHFFFAOYSA-N 234.302 3.612 30 20 BHED C=CC(C)(C)CC(=O)N1CC[C@H](C)C2(CCC2)C1 879375573 NPTRVRYDZQLDJB-ZDUSSCGKSA-N 249.398 3.627 30 20 BHED CCCCCCCCCNC(=O)[C@H]1C[C@H]1C 891522376 ZTRFVSCPIJCTLO-OLZOCXBDSA-N 225.376 3.509 30 20 BHED C[C@H]1CC[C@@H](NCC2(C#N)CC2)c2ccccc21 903102024 PUQBGAXMSSFQAL-SWLSCSKDSA-N 240.350 3.518 30 20 BHED CCCCCCCSc1ncccn1 915790546 RUQNVTUPDJRRDQ-UHFFFAOYSA-N 210.346 3.539 30 20 BHED C=CCCCCCC(C)=NNCC(C)C 1117070662 OCRLDHBSKATSOM-UHFFFAOYSA-N 210.365 3.744 30 20 BHED C=CCCCC(=O)N[C@@H](CC)c1ccc(F)cc1 1337639207 DKXMZZMSCJDRSS-AWEZNQCLSA-N 249.329 3.749 30 20 BHED CCc1ccc(CNc2ccc(C#N)cc2)cc1 19950745 RYSMDIIJLUXNHF-UHFFFAOYSA-N 236.318 3.733 30 20 BHED C=CCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 108386176 IUECPPLQYDJJDN-MRXNPFEDSA-N 240.350 3.881 30 20 BHED C=C(C)CNCc1cc(Cl)cc2cccnc12 119647970 WPFDQHJJGNUUBV-UHFFFAOYSA-N 246.741 3.554 30 20 BHED C=CCCN[C@H](CC)c1ccc(Cl)cc1 125393219 CGYPTOAYPHMEJL-CYBMUJFWSA-N 223.747 3.957 30 20 BHED C=CCCCCCN(C)Cc1ccc(C)cn1 151229373 IAHVQABVZQJFAE-UHFFFAOYSA-N 232.371 3.568 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cc2c(s1)CCCC2 157240210 NPTNNBYSXRCIIR-QWRGUYRKSA-N 235.396 3.852 30 20 BHED COc1ccc(C#N)cc1CS[C@H](C)C(C)C 227260683 SLJKIGMESDCFIX-LLVKDONJSA-N 249.379 3.845 30 20 BHED C[C@H]1CCC[C@H](Nc2cc(F)cc(C#N)c2)C1 227607657 QHVSHCVVTGROLZ-GWCFXTLKSA-N 232.302 3.688 30 20 BHED C=CCC[C@H](N[C@H]1CC[C@H](C)CC1)C1CC1 252729122 FEXOLHUEPVVGJD-QEJZJMRPSA-N 221.388 3.900 30 20 BHED C(/C=C\c1ccccc1)=NNc1ccccc1 254417729 WKFCGJZYIWAEEX-PMPMWQPSSA-N 222.291 3.798 30 20 BHED C=CCCCSCc1ccn(C(C)C)n1 265416764 OMAKPOVOGPFPAB-UHFFFAOYSA-N 224.373 3.663 30 20 BHED CC(C)[C@@H](N[C@@H](C)CCC#N)c1ccccc1 276357573 XVJHMNOKUPHJBO-DZGCQCFKSA-N 230.355 3.666 30 20 BHED CON=Cc1c(Cl)ccc(Cl)c1Cl 308435530 WCKNPZDFPYJKJG-UHFFFAOYSA-N 238.501 3.627 30 20 BHED CC[C@H](Nc1ccc(CC#N)cc1)C1CCC1 322430002 BSHQHMXPJIHTQU-HNNXBMFYSA-N 228.339 3.743 30 20 BHED C=CC[C@H](CC)NCc1nc(CCC)cs1 336780861 SIMGBLGQKCSBCO-NSHDSACASA-N 238.400 3.540 30 20 BHED Cc1ccccc1[C@H](C)N(CCC#N)CC(C)C 342051317 SERLZPJKSQIUMT-HNNXBMFYSA-N 244.382 3.928 30 20 BHED C#C[C@H](NCc1ccsc1Cl)C(C)(C)C 380346394 UBQCLJPAMBGMFB-JTQLQIEISA-N 241.787 3.539 30 20 BHED CC1(C)CCC[C@H]1CNCc1ccc(C#N)s1 388432157 FVDLPZICGVQNCU-NSHDSACASA-N 248.395 3.536 30 20 BHED C=CCCCCCCNC(C1CC1)C1CC1 390664167 RAGJWYCRUGCKDI-UHFFFAOYSA-N 221.388 3.901 30 20 BHED C=CC[C@@H](CC)Nc1ccnc(Cl)c1 393679176 QOAQMJMYCCSCPB-SECBINFHSA-N 210.708 3.502 30 20 BHED Cc1cc(C)cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 424325428 KSNUMAYDEFRHEJ-IJEWVQPXSA-N 242.366 3.646 30 20 BHED Cc1ccccc1OCc1cccc(F)c1C#N 427512268 SSIBLMWBKGGEAR-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=CCN(C)[C@@H](c1ccc(F)cc1)C(C)C 434611797 KWRRYWRJYNFUCU-CQSZACIVSA-N 221.319 3.641 30 20 BHED C[C@@H](CC1CCCCC1)Nc1ncccc1C#N 447670014 LNXUWNHMIDIKMC-LBPRGKRZSA-N 243.354 3.724 30 20 BHED CC(C)=CCC[C@@H](C)NCc1ccc(C#N)s1 449444062 XZQLRPJMSYSOJT-GFCCVEGCSA-N 248.395 3.844 30 20 BHED C=C1CCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)CC1 457543822 UVNRGYNMZWHXNH-BBRMVZONSA-N 249.398 3.627 30 20 BHED C=CCSCc1cc(OC)ccc1Cl 479540082 SLKHENITJCPXOC-UHFFFAOYSA-N 228.744 3.768 30 20 BHED C=C(C)CN(CC)C(=O)CCCC(C)(C)C 504401108 JWDKDCAEYKBLSR-UHFFFAOYSA-N 225.376 3.627 30 20 BHED C=C(C)CCN1CCSc2ccccc21 509294070 NJTNKVWOYQKDDF-UHFFFAOYSA-N 219.353 3.565 30 20 BHED C=CCS[C@H](C)c1c(F)cccc1F 522283051 UTSNBTKONPHAEY-MRVPVSSYSA-N 214.280 3.945 30 20 BHED C=CCCN1CCC[C@](C)(c2ccccc2)C1 524812194 YNQUFLUZNGVGDG-INIZCTEOSA-N 229.367 3.616 30 20 BHED C=CCCN1CCCCC[C@H]1CC(C)C 524907753 DOMJZMZTCYFRKK-AWEZNQCLSA-N 209.377 3.853 30 20 BHED C=CCC(C)(C)c1noc([C@@H]2[C@@H](C)[C@H]2C2CC2)n1 528201543 CBZFBKQQKVPPAG-ZMLRMANQSA-N 246.354 3.683 30 20 BHED C=CCC[C@H](CCC)NC[C@@H]1CCO[C@H](C)C1 539968993 MRKCLOZHKXLGHR-KFWWJZLASA-N 239.403 3.526 30 20 BHED C=CCCN1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C 543848086 YMLSOJNRTHOOEI-STQMWFEESA-N 245.366 3.579 30 20 BHED Cc1ccccc1[C@H](C)N(CC#N)CC(C)C 585754782 LIVKKGIPCOHNSK-AWEZNQCLSA-N 230.355 3.538 30 20 BHED Cc1cccc(/C=C\C(=O)c2ccccc2C#N)c1 588618556 ZOTBRCHXBGFUFZ-KTKRTIGZSA-N 247.297 3.763 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cc2ccncc2s1 657903563 HORHZPQFXUATKL-NXEZZACHSA-N 232.352 3.521 30 20 BHED C[C@@H](CC1CCCC1)Nc1cccc(C#N)c1 689787393 WFIPOWYPSVXAMV-LBPRGKRZSA-N 228.339 3.939 30 20 BHED C=CC[C@H](C)NC(=O)CCCCCC(C)C 747907244 KHLKCAKTWFXPKH-ZDUSSCGKSA-N 225.376 3.674 30 20 BHED CC(=NNc1cccc(C)c1)c1ccsc1 749100018 YEJLVZIRLMCLPO-UHFFFAOYSA-N 230.336 3.893 30 20 BHED CC(=NNC1CC1)c1cc2cc(C)c(C)cc2o1 758128397 XYNFHSGKYZERGU-UHFFFAOYSA-N 242.322 3.526 30 20 BHED C=CC[C@@H](C)[C@H](C)NCc1c(C)cccc1F 766215666 KIQQKCQQDNDTPN-YPMHNXCESA-N 235.346 3.824 30 20 BHED CC(=NNc1cccc(C)c1)c1occc1C 767743618 JSEPTPUSTUQTMM-UHFFFAOYSA-N 228.295 3.733 30 20 BHED Cc1cccc(C)c1C=NOCCC(F)(F)F 777458708 AWDFIXGEEVQQPP-UHFFFAOYSA-N 245.244 3.606 30 20 BHED C#CCCCCCC(=O)Nc1cccc(CC)c1 779714216 ALDFGFNWLZZMKG-UHFFFAOYSA-N 243.350 3.771 30 20 BHED C=CCCN(C)C(=O)C[C@@H](C)CCCCC 786222965 GLVZNMVDMBTHHH-ZDUSSCGKSA-N 225.376 3.627 30 20 BHED C=CCCCCC[C@H](C)NCc1cccnc1 793515697 IQWZYUWVRMVTOP-AWEZNQCLSA-N 232.371 3.696 30 20 BHED CCc1cccc(C)c1NN=C[C@H]1CCSC1 799493451 CABCUZWQWDGLBV-GFCCVEGCSA-N 248.395 3.708 30 20 BHED CC[C@@H](C)NN=C(CCC(C)C)C1CC1 802712577 QHMNXGLIAUYYAW-LLVKDONJSA-N 210.365 3.577 30 20 BHED C=CCCCCCCNC(=O)[C@@](C)(C=C)CC 805219076 UUURVDUWFGUAME-HNNXBMFYSA-N 237.387 3.841 30 20 BHED CC[C@H]1CCC1=NNc1cc(F)cc(F)c1 807965251 PCFYSYHOGJEYMN-QMMMGPOBSA-N 224.254 3.553 30 20 BHED C#C[C@@H](N[C@@H](CC)Cc1cccs1)C(C)(C)C 809780924 AONYNCSGGKNEFW-GXTWGEPZSA-N 249.423 3.707 30 20 BHED C=CCCCCCCCN[C@H]1CCOC[C@H]1C 810244035 XVHCUPWPCYTKLX-CABCVRRESA-N 239.403 3.528 30 20 BHED Cc1cccc(NN=C2CS[C@H](C(C)C)C2)c1 814687716 SCXSRLNDAHEFBN-AWEZNQCLSA-N 248.395 3.924 30 20 BHED CC[C@H](C)CON=CCC(C)(C)SC 814938887 XRYRBXGFUZRDGP-JTQLQIEISA-N 217.378 3.567 30 20 BHED CCOc1ccc(NN=C2CCC2(C)C)cc1 814985116 SFUOSIMEEXGCGN-UHFFFAOYSA-N 232.327 3.673 30 20 BHED C=C[C@@H](C)ON=CC1CCC(C(F)(F)F)CC1 844623628 DPNKWSHBQDDIIM-KPPDAEKUSA-N 249.276 3.932 30 20 BHED CC(C)c1cccc(CN2CCC(C#N)CC2)c1 851739996 KARQJECJYOOWBA-UHFFFAOYSA-N 242.366 3.546 30 20 BHED Oc1ccc(Cl)cc1/C=N\CC1CCCC1 914701768 OZIZKPOVAYSWAW-DHDCSXOGSA-N 237.730 3.655 30 20 BHED C=C[C@@H](CC)CC(=O)N1CCC2(CCCC2)CC1 933291048 XBQLKMNEUGDNKF-AWEZNQCLSA-N 249.398 3.772 30 20 BHED C=C(Cl)CS[C@@H](COC)c1ccccc1 1307404642 HDCJSFAEXQXEEN-LBPRGKRZSA-N 242.771 3.860 30 20 BHED CC(C)C[C@H]1CCCCN1C[C@@H](C)CCC#N 1621155045 MLRIYSQZMKKYGN-LSDHHAIUSA-N 236.403 3.827 30 20 BHED C=C(Cl)CN1c2ccccc2C(C)(C)[C@@H]1C 1643823589 ZTCQXPCPDJUOET-NSHDSACASA-N 235.758 3.925 30 20 BHED CC[C@@H]1CCCC[C@H]1CNc1ccc(C#N)cn1 1651103716 AOKLVQMIKLCHFF-KGLIPLIRSA-N 243.354 3.582 30 20 BHED N#Cc1ccc(Cl)cc1NC(C1CC1)C1CC1 36954478 ZXFUAIYVLIFEMY-UHFFFAOYSA-N 246.741 3.812 30 20 BHED CC1(NCc2ccc(C#N)cc2F)CCCCC1 45045802 YSVYDPCMSRNGPG-UHFFFAOYSA-N 246.329 3.510 30 20 BHED CCCCCCCCCN(C)C[C@@H](C)C#N 88239549 ZUDCMSILRHXNNZ-AWEZNQCLSA-N 224.392 3.828 30 20 BHED C=CCC[C@@H](N[C@@H](CC)COC)c1ccccc1 90580841 KOSHUYIXHZPRJZ-JKSUJKDBSA-N 247.382 3.709 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccccc1OC(F)F 119332512 GEYRGLIKNKGGEB-VHSXEESVSA-N 241.281 3.513 30 20 BHED C=CCC(CC=C)C(=O)NC1(C)CCC(C)CC1 129146500 HVVRLTPVMMINLZ-UHFFFAOYSA-N 249.398 3.840 30 20 BHED Cc1ccc(F)cc1NCc1ccc(C#N)s1 157468098 WLCZAWVOFDEEGX-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C=C(Cl)CN(Cc1ccccc1)CC(F)F 177063007 PFYXUQKQUPLWTG-UHFFFAOYSA-N 245.700 3.506 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ccc(C)cc1 190124607 GDPLWUVGVMGXHQ-BBRMVZONSA-N 245.366 3.775 30 20 BHED C=CCSCc1ccc(F)cc1Cl 308399484 HFOVNPVZYUGIPX-UHFFFAOYSA-N 216.708 3.898 30 20 BHED C#CCCCN[C@H](C)CCC1CCCCC1 309793930 UYBOHQRMNLCCMG-CQSZACIVSA-N 221.388 3.738 30 20 BHED C=CCCCNc1ccc2sc(C)nc2c1 309848147 HQIUIRUJKALZJE-UHFFFAOYSA-N 232.352 3.983 30 20 BHED CC[C@@H](Nc1nc(C)c(C#N)cc1Cl)C1CC1 324535125 YUKAXZDVWICNIF-GFCCVEGCSA-N 249.745 3.516 30 20 BHED Cc1cnc([C@H](C)SCCC(C)(C)C#N)o1 341995425 KARRIKPAHWFZMK-JTQLQIEISA-N 238.356 3.717 30 20 BHED C=C(C)CN[C@H](CCCCOC)c1ccccc1 348304695 ICLVCTWNMYAELT-MRXNPFEDSA-N 247.382 3.710 30 20 BHED C=C[C@](C)(CC)C(=O)N1CC[C@@H](C)C2(CCC2)C1 353451305 WPIURAPHWXATJZ-UKRRQHHQSA-N 249.398 3.627 30 20 BHED C=CCC[C@@H](C)NC[C@H]1CCCC(F)(F)C1 381470265 OEUKXKDCRDLEFL-NEPJUHHUSA-N 231.330 3.756 30 20 BHED CCCCCCCCN[C@H](C)[C@H]1CCCOC1 388522854 XQSSSCGYXHCOSJ-CABCVRRESA-N 241.419 3.752 30 20 BHED C=C1CCN(CCCc2ccc(Cl)cc2)CC1 525423447 YDYCZSKYAWLLNR-UHFFFAOYSA-N 249.785 3.925 30 20 BHED C=CC[C@H](C)N[C@@H](c1ccc(OC)cc1)C(C)C 537014218 GQGWJTIUEWNLOF-XJKSGUPXSA-N 247.382 3.947 30 20 BHED C=C(C)COc1ccc2ccc(OC)cc2c1 540041504 PQNFNKZVCDVWBZ-UHFFFAOYSA-N 228.291 3.803 30 20 BHED C=CCC(C)(C)C(=O)NCC(CC)(CC)CC 556624272 WPMPEYHPWNVBDD-UHFFFAOYSA-N 239.403 3.921 30 20 BHED C=CCOc1cccc(CN[C@H]2CCC2(C)C)c1 576427675 ZBIKLMXJNTVKDW-HNNXBMFYSA-N 245.366 3.530 30 20 BHED C=CCCCCSCc1noc(CCC)n1 579933699 ZALKKYWPNSXZKH-UHFFFAOYSA-N 240.372 3.612 30 20 BHED C[C@@H]1CCCC[C@H]1c1noc(CCCCC#N)n1 594541030 WHTFUUVEUIAMGC-VXGBXAGGSA-N 247.342 3.600 30 20 BHED CC[C@H](NCCC(C)(C)F)c1ccc(C#N)cc1 595083400 DBXSZYSAAXMHEY-AWEZNQCLSA-N 248.345 3.737 30 20 BHED C=CC[C@@H]1CC[C@H](NC2CC(C(F)(F)F)C2)C1 651812284 SPZOOHCBDODDLE-ZYGVAYEYSA-N 247.304 3.662 30 20 BHED C=CCC1(NCC2CC(F)(F)C2)CCCC1 690755312 WGQBPSRLBFCBFZ-UHFFFAOYSA-N 229.314 3.510 30 20 BHED C[C@H](CC(C)(C)C#N)N[C@H]1CCCC(C)(C)C1 695816855 PJAXLWRGMZLWLA-OLZOCXBDSA-N 236.403 3.873 30 20 BHED N#CCC1(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 723669245 LMPIUTWGGJHKIX-QLFBSQMISA-N 246.398 3.629 30 20 BHED C#CCN(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 746136615 AUWRUJMPSGNTCZ-VIFPVBQESA-N 242.149 3.619 30 20 BHED CC#CCCSc1ccc(OCC)cc1 764953096 DYSXCLWCTMPUBW-UHFFFAOYSA-N 220.337 3.591 30 20 BHED C1CC(=NN[C@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C2CC2)C1 774595588 DRVJEDACFXCADA-PCBIJLKTSA-N 246.398 3.721 30 20 BHED CCc1ccc(/C=C\C(=O)c2ccncc2)s1 776187892 BWQPBKHOCIPTAQ-WAYWQWQTSA-N 243.331 3.602 30 20 BHED C=CC1CCN(C[C@H]2CCc3ccccc32)CC1 780287543 RZLJMMRAZRHCEQ-MRXNPFEDSA-N 241.378 3.614 30 20 BHED Cc1ccnc(NN=C2CC[C@@H](C)C[C@@H]2C)c1 783855842 SRYYCKXAQLIYRV-PWSUYJOCSA-N 231.343 3.614 30 20 BHED C[C@@H]1C[C@@H]1c1ccc(C=NNC2CCCCC2)o1 786042885 CDJMOQBHBMZQHB-RISCZKNCSA-N 246.354 3.659 30 20 BHED C#C[C@H](CCC)NC(=O)[C@H](CC)CC1CCCC1 791742699 KZSNXHXCRVRHIA-HUUCEWRRSA-N 249.398 3.511 30 20 BHED C=CCCCCC[C@@H](C)NC[C@@H]1CCC=CO1 793559008 XYBKVYYJUHHFLJ-CABCVRRESA-N 237.387 3.794 30 20 BHED FCC[C@H]1CCCC1=NOC1CCCCC1 794930953 NESDYXXRVXKPNV-LLVKDONJSA-N 227.323 3.851 30 20 BHED CCCC(Cc1ccccc1)=NOCC1CC1 814241300 IUNNUFLMANORPS-UHFFFAOYSA-N 231.339 3.812 30 20 BHED CCCCC=NNc1nc2ccccc2s1 864094609 KOWDSEROCBAVHM-UHFFFAOYSA-N 233.340 3.884 30 20 BHED C#CCCCCCCNC[C@H]1CCCC1(F)F 877565648 LVIAQMSXDFHVDI-CYBMUJFWSA-N 243.341 3.595 30 20 BHED C=CCCC(C)(C)NC(=O)C1CCC(=C)CC1 893048714 IAEXORFKHVXLTA-UHFFFAOYSA-N 235.371 3.594 30 20 BHED C=C(Cl)CN(CC1CCCCC1)C1CC1 917072822 RYMZHCMDTUTWRU-UHFFFAOYSA-N 227.779 3.784 30 20 BHED N#Cc1ccccc1SCC1(C#N)CCCC1 917103045 KMZCQGWQIDDONL-UHFFFAOYSA-N 242.347 3.734 30 20 BHED C=C[C@H](CC)CC(=O)N1CCC[C@H]1CC(C)C 931280712 QQDYLYZINJNTCU-KGLIPLIRSA-N 237.387 3.626 30 20 BHED CCC(CC)CN(CCC#N)C[C@@H]1C[C@H]1CC 1191368314 ZWNLTGXBVMWPJK-CABCVRRESA-N 236.403 3.684 30 20 BHED C=CCC(C)(C)c1nnc(C2CCCC2)o1 1257493934 IRLAVXDAXQXGTP-UHFFFAOYSA-N 220.316 3.581 30 20 BHED CC(C)CNN=C(CCc1ccccc1)C(C)C 1324807903 AYYZLCIGSYNSME-UHFFFAOYSA-N 246.398 3.877 30 20 BHED C=CCC[C@H](CC)Nc1cccc(C(=O)O)c1 1602857192 NGIFWHUVMPMBCY-LBPRGKRZSA-N 233.311 3.542 30 20 BHED N#Cc1ccc(/C=C\C(=O)c2cccs2)cc1 33462179 UXNJASRGPZSIAN-FPLPWBNLSA-N 239.299 3.516 30 20 BHED C[C@H]1C[C@@H](C)CN(c2ccc(Cl)cc2C#N)C1 34507817 RTCOQDDCSPURHE-PHIMTYICSA-N 248.757 3.694 30 20 BHED CC[C@@H](CC#N)N[C@@H](C)c1ccc(Cl)cc1 49525552 RTARJKILVWUDEP-GWCFXTLKSA-N 236.746 3.683 30 20 BHED CC[C@H](c1ccccc1)[C@H]1CCCN1CCC#N 58523933 DCEFVGSTDBKCAM-HZPDHXFCSA-N 242.366 3.558 30 20 BHED C#CCCCCN[C@H](C)c1ccc(SC)cc1 90398359 UYPGWGQMGUDZRI-CYBMUJFWSA-N 247.407 3.863 30 20 BHED C=CCC[C@@H](CC)N[C@@H]1CCc2c(O)cccc21 130562402 RDTYXGSMRZOLAI-IUODEOHRSA-N 245.366 3.714 30 20 BHED CCCCCCCCNCc1ccc(C#N)o1 135133296 LFQCSXBHMDGRMF-UHFFFAOYSA-N 234.343 3.601 30 20 BHED N#Cc1ccc(CNCCC2CCCCC2)s1 135675312 NXMXHDQTRJIBAJ-UHFFFAOYSA-N 248.395 3.680 30 20 BHED C#CCCCNc1ccc(C(F)(F)F)cc1 161049329 FCJMIPBRZPVPRG-UHFFFAOYSA-N 227.229 3.531 30 20 BHED CC(C)N(CCCSCC#N)c1ccccc1 174127564 DSXUVNHWKYYQPH-UHFFFAOYSA-N 248.395 3.548 30 20 BHED C[C@H]1CC[C@H](Nc2ccccc2O[C@@H](C)C#N)C1 180204214 XNSFOHJSHONVKV-AVGNSLFASA-N 244.338 3.578 30 20 BHED C=CC[C@@H](C)NC(=O)c1ccc(C2CCC2)cc1 191880923 SVPKAFOHHRTIKY-GFCCVEGCSA-N 243.350 3.649 30 20 BHED C=CCNc1cccc(Cl)c1Br 236052171 KKLFMFRSAIMMEZ-UHFFFAOYSA-N 246.535 3.700 30 20 BHED COCCCCS[C@H](C)c1cccc(C#N)c1 285079369 MGDUOPHFBJTKOA-GFCCVEGCSA-N 249.379 3.779 30 20 BHED C=CCSCc1ccc2oc(C(=O)O)cc2c1 304403282 NCODDVYHUIIJGW-UHFFFAOYSA-N 248.303 3.550 30 20 BHED CCCCCC[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 310012433 JCOTUCOIJZZIRU-BFHYXJOUSA-N 222.376 3.627 30 20 BHED C/C=C\c1ccc(NC(=O)CC(C)(C)C#N)cc1 345680791 LLVPRQZBTQLDJS-PLNGDYQASA-N 242.322 3.598 30 20 BHED N#CCC1(CNc2cccc(C(F)F)c2)CC1 386353200 UYHBVDLEWQHOCV-UHFFFAOYSA-N 236.265 3.730 30 20 BHED C=CCC[C@H](CC)N[C@@H]1COCc2ccccc21 417355471 DJNDGUUCKMUPTN-GOEBONIOSA-N 245.366 3.592 30 20 BHED C=C[C@H](C)NC(=O)[C@H](c1ccccc1)[C@H](C)CC 465152323 SQIBOYHBYCBIBJ-IPYPFGDCSA-N 245.366 3.507 30 20 BHED C=CCCCC(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C 482689901 HSJGLXLMERLDAK-IHRRRGAJSA-N 237.387 3.531 30 20 BHED C[C@@H]1CC[C@H](Sc2cccc(C#N)c2)C1 540923435 BXDNGEHQVHUINO-MFKMUULPSA-N 217.337 3.839 30 20 BHED C=C(C)CN(c1ccccc1C)C(C)C 557194831 XGMAWUZNALLMHT-UHFFFAOYSA-N 203.329 3.786 30 20 BHED C=CCNc1ccccc1O[C@H](C)C(F)(F)F 561856005 LMJFEZFASRIODA-SECBINFHSA-N 245.244 3.614 30 20 BHED CC#CCCCc1nc([C@H]2CCC[C@@H](C)C2)no1 565505580 RJWGOIJPRZCFKU-OLZOCXBDSA-N 246.354 3.709 30 20 BHED C=C(C)CN1CCCC[C@@H]1c1ccccc1 568340066 UAQKIHUPFVEBLU-OAHLLOKOSA-N 215.340 3.790 30 20 BHED C=CCC[C@@H](C)N[C@@H]1CCCC[C@H]1SC 593653233 AGRAWLKMISLECU-JHJVBQTASA-N 227.417 3.605 30 20 BHED CCN(Cc1cccc(C(C)C)c1)C[C@H](C)C#N 595302429 HFOHRMQZHXVSGE-CQSZACIVSA-N 244.382 3.792 30 20 BHED C=CCCCN(C)CCCCc1ccccc1 605149944 SYGAMXITHIRLJZ-UHFFFAOYSA-N 231.383 3.907 30 20 BHED C[C@@H](CC(C)(C)C)N[C@@H](C)CC(C)(C)C#N 695835911 IVLDXPZBSZIDQD-RYUDHWBXSA-N 224.392 3.729 30 20 BHED C=CCCCOC(=O)c1cc2cccc(C)c2o1 735535410 WEQLMGAHZXIFPH-UHFFFAOYSA-N 244.290 3.864 30 20 BHED CCC(=NN[C@H](C)c1ccccc1)C1CC1 741162478 FLYMPMCNVBIXRI-LLVKDONJSA-N 216.328 3.513 30 20 BHED C=C(C)CCOC(=O)C[C@@H](C)c1ccccc1 744304294 JVIHMHCXTINNTA-CYBMUJFWSA-N 232.323 3.690 30 20 BHED C#CCCc1noc(C=C(CCC)CCC)n1 762016863 YLKKYVLITDDJLR-UHFFFAOYSA-N 232.327 3.619 30 20 BHED CCCCCC[C@H]1CCCC1=NNC[C@@H](C)C#N 771107306 LQJZAWLLOGTCQM-KBPBESRZSA-N 249.402 3.862 30 20 BHED C=CCCCC(=O)Oc1cccc(C)c1Cl 774665155 WJIDANLYJQJTJZ-UHFFFAOYSA-N 238.714 3.910 30 20 BHED C#CCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 776026185 KAZGTCSPBMXDCP-NILFDRSVSA-N 247.769 3.650 30 20 BHED Cc1[nH]c2ccc(F)cc2c1C=NOCC(C)C 782228117 WAOSFCGEFAJGLF-UHFFFAOYSA-N 248.301 3.622 30 20 BHED C=CCCCCCC(C)=NNCC(F)(F)F 789050574 HUTJKYWIUMHCMU-UHFFFAOYSA-N 236.281 3.651 30 20 BHED Cc1cc(C(=O)/C=C\c2cccc(Cl)c2)no1 791432627 NWEIHYKUADHJDP-WAYWQWQTSA-N 247.681 3.533 30 20 BHED C=CCCCCC[C@H](C)N[C@@H](C)[C@H]1CCOC1 793536378 TYOPSQFBPNUWCB-KKUMJFAQSA-N 239.403 3.526 30 20 BHED C[C@@H](C=NOCCC(F)(F)F)C(C)(C)C 800816243 GLWIGBXSUYKHCB-QMMMGPOBSA-N 225.254 3.623 30 20 BHED C=C(CC)CNc1ccc(OC(F)F)cc1F 800878078 ZYPHCBGALVHYEO-UHFFFAOYSA-N 245.244 3.805 30 20 BHED C=CCN(Cc1ccc(C(C)C)nc1C)C(C)C 815021860 UZWTWAMLIVGCDP-UHFFFAOYSA-N 246.398 3.910 30 20 BHED CC[C@@H](CC(C)C)C(=O)OCC(C)(C)CC#N 835304707 WVUZJKNUCTVXQF-LBPRGKRZSA-N 239.359 3.542 30 20 BHED C=CCC1(CNC(=O)/C(C)=C/CC)CCCC1 836991542 WETMXHQBXHILLY-MDWZMJQESA-N 235.371 3.595 30 20 BHED C=CC[C@@H]1CCCN(Cc2ncc(C(C)C)o2)C1 852408788 AUOCZZJADHLMTH-CYBMUJFWSA-N 248.370 3.586 30 20 BHED C[C@H]1CC[C@H](C=NNc2ccc(Cl)cn2)C1 853438086 ZFERMPFPQPNLDB-UWVGGRQHSA-N 237.734 3.569 30 20 BHED Cc1c(C(C)C)c(CC#N)nc2ccc(F)cc12 905018239 UQDWRCVHQMVLBA-UHFFFAOYSA-N 242.297 3.872 30 20 BHED CC(C)CCC[C@H](C)Nc1cccc(CC#N)n1 1116779941 WPWUVWDQUVHANZ-ZDUSSCGKSA-N 245.370 3.774 30 20 BHED C[C@@H]1CCCC[C@@H]1CN1CCCC(C)(C)[C@@H]1C#N 1617735181 KWJKMAVKTAVNET-KFWWJZLASA-N 248.414 3.827 30 20 BHED CC(C)CCN(C)CCC1(C#N)CCCCC1 1657020626 DGGYTVYYELGDKE-UHFFFAOYSA-N 236.403 3.828 30 20 BHED CC(C)CCNc1cccc(OCCCC#N)c1 37777409 KQKDPGFOHIQSIX-UHFFFAOYSA-N 246.354 3.827 30 20 BHED Cc1ccc(C)c(COc2cccc(C#N)c2)c1 42199898 IORVCVBADXVXHB-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C=CCN(C(=O)C[C@@H]1C=CCC1)c1ccccc1 97008602 NUXFYPUVBIQFAD-CQSZACIVSA-N 241.334 3.562 30 20 BHED C=CCSCc1csc(C(C)C)n1 114756629 OASBNYDFKQFXGJ-UHFFFAOYSA-N 213.371 3.686 30 20 BHED C=C[C@@H](C)NCc1ccc(-c2ccc(F)cc2)o1 123184914 SQCJMUCWPFEKLF-LLVKDONJSA-N 245.297 3.750 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCC[C@H](SC)C1 134922109 HTHKITUPPXWSEK-XQQFMLRXSA-N 227.417 3.605 30 20 BHED C=C[C@@H](C)N[C@@H]1CCCc2c1[nH]c1ccccc21 159749136 XBVYOGRVGDMBCO-IAQYHMDHSA-N 240.350 3.709 30 20 BHED C[C@@H](NCC(C)(C)CCC#N)c1ccc(F)cc1 162967323 PSVRZOVLBBKKLP-GFCCVEGCSA-N 248.345 3.806 30 20 BHED CCC[C@@H](C)CC(=O)Nc1cccc(C#N)c1C 178380242 AFMOZIQFUSKEHU-LLVKDONJSA-N 244.338 3.632 30 20 BHED C=CCCOCCN[C@H](CCC)c1ccccc1 222440614 RCXKNWCERLMZRS-MRXNPFEDSA-N 247.382 3.710 30 20 BHED C=CCCCC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 246840004 LHIYIFDJCKYRAN-MGPQQGTHSA-N 235.371 3.522 30 20 BHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 274392649 BJYBFQXBLPPUQZ-WDMOLILDSA-N 248.757 3.683 30 20 BHED C#CCCSc1ccc(F)c(Cl)c1 306878471 IQGKALVZBZNQEI-UHFFFAOYSA-N 214.692 3.595 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1cc(C)ccc1O 386438836 CAMAJMSUGJHJNV-ZDUSSCGKSA-N 247.382 3.954 30 20 BHED C=CCCCCC[C@H](C)N[C@H]1CCCSC1 390515080 CSDQPLDUEDBTOX-KBPBESRZSA-N 241.444 3.997 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@H]1CCCC[C@@H]1C 424608634 AZEUVLNGOKCNBD-QWHCGFSZSA-N 237.387 3.531 30 20 BHED C=C[C@@H]1CCCCN1Cc1coc2ccccc12 426578369 HZDIPTVTPPCVNI-CQSZACIVSA-N 241.334 3.973 30 20 BHED C=CC[C@@H](C)N[C@H](Cc1ccccc1)C(C)C 427686230 QCHVVOPJDMAELB-GDBMZVCRSA-N 231.383 3.808 30 20 BHED Cc1cccc(S[C@H]2CC[C@@H](C#N)C2)c1 430093927 HVVKPWWMOFTIAR-YPMHNXCESA-N 217.337 3.779 30 20 BHED N#Cc1ccc(CNc2ccc3ccoc3c2)cc1 442859778 RETKKQPZMONDRG-UHFFFAOYSA-N 248.285 3.917 30 20 BHED CCOc1ccc(C#N)cc1N[C@@H](C)C1CCC1 474942393 LGQIRKPKNINGJF-NSHDSACASA-N 244.338 3.557 30 20 BHED C=CC[C@H](C)N[C@H](c1ccc(OC)cc1)C(C)C 537014215 GQGWJTIUEWNLOF-BBRMVZONSA-N 247.382 3.947 30 20 BHED CCC(CC)N(CC)CCCC(C)(C)C#N 575503817 FYEIYVWAMZIMJR-UHFFFAOYSA-N 224.392 3.827 30 20 BHED CC(C)Oc1cccc(OCC2(CC#N)CC2)c1 596263027 BXEKFLWXTNUUBY-UHFFFAOYSA-N 245.322 3.546 30 20 BHED C=C(C)CN(CC)Cc1nccc2ccccc12 678121840 KTYMGNUHXZSCTK-UHFFFAOYSA-N 240.350 3.633 30 20 BHED CCCNN=C1CCC[C@@H]1CCC(C)C 727254933 DLCZJJBOHVHCOR-GFCCVEGCSA-N 210.365 3.578 30 20 BHED C=C(C)CSCCOc1ccc(C)cc1 742796565 LORJVQXQQMIJAZ-UHFFFAOYSA-N 222.353 3.683 30 20 BHED Cc1cc(F)ccc1NN=Cc1cccs1 750946299 OMXCVSXHQHFMSE-UHFFFAOYSA-N 234.299 3.642 30 20 BHED CC[C@H]1CCCC1=NNc1ccc(C#N)cc1 758373334 WJMGPIQVWXPEOY-LBPRGKRZSA-N 227.311 3.536 30 20 BHED C1=CC[C@H](C=NOC2CCCCC2)CC1 777458065 DTTXBGRDQGJPIN-LBPRGKRZSA-N 207.317 3.678 30 20 BHED C=CCC[C@H](C(=O)OCC(=C)C)c1ccccc1 778553172 SPFRBZAMTHUQQD-HNNXBMFYSA-N 244.334 3.856 30 20 BHED Cc1cc(C=NN[C@H](C)C(C)(C)C)c(C)s1 793112516 UEJVCQDKBIPLIU-LLVKDONJSA-N 238.400 3.723 30 20 BHED CC(=NOCCCCF)c1cc2ccccc2o1 795201776 XYTAARYISFBXOH-UHFFFAOYSA-N 249.285 3.923 30 20 BHED CC[C@H]1CCCCC1=NNCC1CCCC1 808007065 NUASAMKMKXYQEK-ZDUSSCGKSA-N 222.376 3.722 30 20 BHED C=CCC[C@H](CC)Nc1ccc2c(c1)C(=O)OC2 809788426 KEVFQWDOOYCTDU-LBPRGKRZSA-N 245.322 3.514 30 20 BHED Fc1ccccc1NN=C1CC[C@H]1C1CCC1 814791814 IRFHAPYCWSKEBA-NSHDSACASA-N 232.302 3.804 30 20 BHED CON=C1CCCC[C@H]1C1=CCCCC1 814795700 IMONEWMOLUCUNI-LBPRGKRZSA-N 207.317 3.679 30 20 BHED Cc1cc(F)ccc1NN=C1CC[C@H](C)C1 814884915 DKAHDSKWHGFHQU-VIFPVBQESA-N 220.291 3.722 30 20 BHED N#CC1(CSC2=Nc3ccccc3C2)CCC1 829196654 LDFAEURWKIPOTN-UHFFFAOYSA-N 242.347 3.700 30 20 BHED Cc1ccc(SCC2(C#N)CCC2)s1 830057938 VVBNOGOIMRRULW-UHFFFAOYSA-N 223.366 3.843 30 20 BHED CC(C)(C#N)CCCN(c1ccccc1)C1CC1 832156441 JLLZGHXWXTWEHT-UHFFFAOYSA-N 242.366 3.985 30 20 BHED C=COc1ccc(NCC(C)(C)CCC#N)cc1 839154008 HLSKAIAXUBXVKN-UHFFFAOYSA-N 244.338 3.951 30 20 BHED C=CCC[C@@H](C)OC(=O)/C(C)=C/c1ccco1 847672724 ZUSNJDTXEBBLMV-HCRIHEDKSA-N 234.295 3.581 30 20 BHED N#CC1(CSCC=C(Cl)Cl)CCC1 853777137 ZXPAHODPLUCVBT-UHFFFAOYSA-N 236.167 3.732 30 20 BHED C[C@@H](C#N)Nc1cccc(SC(F)(F)F)c1 864357329 TZGDQMVAWCQWJF-ZETCQYMHSA-N 246.257 3.622 30 20 BHED C=C1CC(c2noc([C@H](C)c3ccccc3)n2)C1 896878315 XETACOOEIJBXJD-LLVKDONJSA-N 240.306 3.655 30 20 BHED CC[C@H](C#N)Sc1nc2cc(C)ccc2s1 1652214192 OUDJZDHBGPSKKP-SECBINFHSA-N 248.376 3.999 30 20 BHED Cc1ccsc1CNc1ccc(C#N)cc1 19950862 LXJLGTJHAXMJFD-UHFFFAOYSA-N 228.320 3.540 30 20 BHED Cc1cccc(C(=O)/C=C/c2ccc(O)cc2)c1 23164310 MEFQWWTUOJVACW-JXMROGBWSA-N 238.286 3.597 30 20 BHED C[C@H]1CCC[C@@H](Sc2cc(C#N)ccn2)C1 54690672 IMEVGEZBPFZCAY-CMPLNLGQSA-N 232.352 3.624 30 20 BHED N#Cc1cccc(NCc2ccc3c(c2)CCC3)c1 70498417 WDGLCGQUVOLMKW-UHFFFAOYSA-N 248.329 3.659 30 20 BHED CC[C@H]1CCCN(c2ccc(C#N)cc2F)CC1 79054174 CTUUDDUDJQRMCE-LBPRGKRZSA-N 246.329 3.714 30 20 BHED Cc1ccc(CNc2ccc(F)cc2C#N)s1 113317621 DZKVNOHJMQECNI-UHFFFAOYSA-N 246.310 3.679 30 20 BHED CCCCCCCCCS[C@H](C)CO 125142623 ADNVRUPBZWEKOD-GFCCVEGCSA-N 218.406 3.851 30 20 BHED CCCN(Cc1ccc(C#N)cc1Cl)C1CC1 162864222 KOKJRXXAPUZDED-UHFFFAOYSA-N 248.757 3.586 30 20 BHED C=CCCCC(=O)Nc1c(C)cc(C)cc1C 177597123 GQFOHTXXXPQJSL-UHFFFAOYSA-N 231.339 3.907 30 20 BHED C=CCC(C)(C)CNC(=O)[C@H](C)c1ccccc1 293755206 KWOIVBNSYGBFGK-CYBMUJFWSA-N 245.366 3.509 30 20 BHED C[C@H]1CC[C@H](Nc2ccc(Cl)c(C#N)n2)CC1 301181777 QIGYOXJADOQLIP-MGCOHNPYSA-N 249.745 3.597 30 20 BHED C=CCCCCCCN[C@H](CC)[C@@H]1CCOC1 310422619 OWFDZJIXVKNHEW-HUUCEWRRSA-N 239.403 3.528 30 20 BHED C=C1CCN(Cc2coc3ccccc23)CC1 353332317 PTCWIEHLEQRMNH-UHFFFAOYSA-N 227.307 3.585 30 20 BHED C=CCC[C@@H](NC[C@H](CC)OC)c1ccccc1 353548302 LPAITTZKDBGECE-JKSUJKDBSA-N 247.382 3.709 30 20 BHED CC(C)(C#N)CCSc1ccc(C#N)cc1F 361369383 YWVZVEXVGFITAS-UHFFFAOYSA-N 248.326 3.729 30 20 BHED N#Cc1c(Cl)cccc1N1CCC2(CCC2)C1 380384117 VBPVCBPZEBJURG-UHFFFAOYSA-N 246.741 3.592 30 20 BHED Cc1ccc(N[C@H]2CC[C@@H](C#N)C2)c(Cl)c1 381556800 PIYXYPHTMDBURQ-MNOVXSKESA-N 234.730 3.753 30 20 BHED N#Cc1ccc(N[C@H]2CC[C@@H](F)C2)cc1Cl 381809275 HARVXKCWRPGEHO-ZJUUUORDSA-N 238.693 3.514 30 20 BHED CC(C)CC[C@@H](NCC(C)(C)CC#N)C1CC1 414174502 YBDAEBKXKDCHNI-CQSZACIVSA-N 236.403 3.731 30 20 BHED CC(C)CC[C@H]1CCC[C@@H]1N[C@@H]1CC[C@H](C#N)C1 424321106 GREGSLVVMTWMML-JJXSEGSLSA-N 248.414 3.873 30 20 BHED C=CC[C@H](C)N[C@H](Cc1ccccc1)C(C)C 427686231 QCHVVOPJDMAELB-GOEBONIOSA-N 231.383 3.808 30 20 BHED C=CCCCCCOc1ccc2oc(=O)oc2c1 442101847 ZGXRDAPZYRXFHJ-UHFFFAOYSA-N 248.278 3.511 30 20 BHED C=CCCCC[C@H](C)NCc1cnc(C2CC2)o1 449708769 WLFZUSXVQOJCGZ-LBPRGKRZSA-N 248.370 3.777 30 20 BHED CC[C@H](C)CN(C)CC#Cc1cccc(Cl)c1 532615719 DSLRQLOAZNKHIW-ZDUSSCGKSA-N 249.785 3.669 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)c1ccnc(O)c1 560140068 VLYHPHOXXLQCDP-STQMWFEESA-N 248.370 3.573 30 20 BHED C[C@H](CCC#N)CN1CCc2ccccc2[C@H]1C 602461799 LYUVTNBIBMKKNK-ZIAGYGMSSA-N 242.366 3.546 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C[C@H]2C=CCCC2)C1 617780227 QTMGMMXMKQCWIH-LSDHHAIUSA-N 247.382 3.548 30 20 BHED C=CCC1(NCc2c(CC)noc2C)CCCC1 661861464 AQIVCQAYFPNGJZ-UHFFFAOYSA-N 248.370 3.524 30 20 BHED C=C(C)CN(CC)Cc1cscc1Cl 678121884 NIBAIQZOOZHZGY-UHFFFAOYSA-N 229.776 3.800 30 20 BHED C=CCCN[C@H]1CCC[C@H]1c1ccc(F)cc1 682088176 OEQMBQAJYWELIB-GJZGRUSLSA-N 233.330 3.628 30 20 BHED CCCCC(CC)=NOCc1cccnc1 746585490 GFIIHCVTPMHQPB-UHFFFAOYSA-N 220.316 3.554 30 20 BHED CC(C)(C)c1ccc2c(c1)CCN2CCCC#N 749910644 WEBHNYMLTYCVMS-UHFFFAOYSA-N 242.366 3.650 30 20 BHED C=C(Cl)CN(C)[C@H]1CCCc2ccccc21 755079403 DPVXXUJWOOZMLE-AWEZNQCLSA-N 235.758 3.748 30 20 BHED CCCCCCCCC(=O)N1CC[C@@H](CC)C1 755477521 ABKIMSMKRJATJU-CQSZACIVSA-N 239.403 3.996 30 20 BHED CC(CC1CCC1)=NNc1nc2ccccc2[nH]1 758362475 UHHBQYBLYVBTAU-UHFFFAOYSA-N 242.326 3.541 30 20 BHED C#CCCCS[C@H](C)c1ccccc1OC 766293564 QZTBWGRKSNXABQ-GFCCVEGCSA-N 234.364 3.903 30 20 BHED CC1(CNN=C2CCCC2(C)C)CCCC1 793083534 AKLPSRHRZBVBNY-UHFFFAOYSA-N 222.376 3.722 30 20 BHED C[C@H](NN=Cc1coc2ccccc12)C(C)(C)C 793112766 WTSRJPMRTFGXLA-NSHDSACASA-N 244.338 3.791 30 20 BHED Cc1cc(F)ccc1NN=C[C@@H]1CC[C@H](C)C1 800814412 NXLLWKLDEPYQRJ-CMPLNLGQSA-N 234.318 3.968 30 20 BHED C(CC1CCCCCC1)=NOC1CCC1 812237329 UUFFRYPBZJEHES-UHFFFAOYSA-N 209.333 3.902 30 20 BHED C[C@H](NN=C1CCC[C@@H](C)[C@@H]1C)c1ccncc1 819816980 TYTSZEFWDWOPPY-AGIUHOORSA-N 245.370 3.544 30 20 BHED N#C[C@H]1CCC[C@H](OC(=O)C=C2CCCCC2)C1 839046833 BDFUFMMGTKTNNM-KBPBESRZSA-N 247.338 3.502 30 20 BHED C#CCCCCN[C@@H]1CCCC[C@@H]1CC=C 850444768 LKPZKIVVZIYVGK-LSDHHAIUSA-N 219.372 3.514 30 20 BHED C=C(Cl)CSCCC1SCCS1 853783759 QMQPWBLOJLFTJQ-UHFFFAOYSA-N 240.846 3.668 30 20 BHED C=C1CC(c2noc(/C(C)=C/c3ccco3)n2)C1 896874325 KZQTVWFKJKBGPO-CSKARUKUSA-N 242.278 3.657 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)CC1CCCC1 1262809811 QBEABPDYQMPMQC-CQSZACIVSA-N 235.371 3.524 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)c1ccccc1C 1337681309 WDVTZUWAZIIJAC-CQSZACIVSA-N 243.350 3.566 30 20 BHED C=C(Cl)CN1CCC(CCC(C)C)CC1 1473228251 XBCNYKUHIPDSII-UHFFFAOYSA-N 229.795 3.887 30 20 BHED CC(C)C[C@H]1CCC[C@@H](NCC2(C#N)CCC2)C1 1658744820 NRGDYXMDECUBLB-HUUCEWRRSA-N 248.414 3.875 30 20 BHED C=CCN(CC=C)Cc1ccc(SC)cc1 52868468 NPIUWWYKLIBTNP-UHFFFAOYSA-N 233.380 3.583 30 20 BHED CCCCCCCN[C@H](C)c1ccncc1 59090584 FDBUNQVYTSVMFP-CYBMUJFWSA-N 220.360 3.703 30 20 BHED CCCCC[C@H](C)NCc1cc(C#N)cs1 86500102 YKWVOESDFXNEKW-NSHDSACASA-N 236.384 3.678 30 20 BHED C=CC[C@H](C)NCc1ccc(F)cc1Cl 122156739 YENXHKDBBMCATQ-VIFPVBQESA-N 227.710 3.533 30 20 BHED C=C(Cl)CN[C@H](C)[C@H](C)c1ccccc1 129799686 KAVNALPUUKPDEO-NWDGAFQWSA-N 223.747 3.521 30 20 BHED CCC(C)(C)[C@H]1CCCN1CCCCC#N 156941688 CFNKIWZHFKOXNX-CYBMUJFWSA-N 222.376 3.581 30 20 BHED C=C(Cl)CN[C@H](C)c1ccc(CC)s1 161747764 MNGRALVDZRTKKS-SECBINFHSA-N 229.776 3.714 30 20 BHED C=CCC[C@@H](CCC)N[C@@H](CCO)C(C)(C)C 185194646 TUJBEVFAJOKEPE-KGLIPLIRSA-N 241.419 3.508 30 20 BHED CC(C)N(Cc1cc(C#N)cs1)CC1CCC1 195079177 WKPDJGYHNIUPDJ-UHFFFAOYSA-N 248.395 3.630 30 20 BHED CC#CC(=O)Nc1c(C(C)C)cccc1C(C)C 283189538 LYHUVASYDJHMKV-UHFFFAOYSA-N 243.350 3.895 30 20 BHED CCC1(CNc2ccc(Cl)c(C#N)n2)CCC1 301550989 GVFADLUJZHTVOG-UHFFFAOYSA-N 249.745 3.599 30 20 BHED C[C@H]1CC(C)(C)CC[C@@H]1Nc1ncccc1C#N 301579078 ZTNYDOHEMLERFP-AAEUAGOBSA-N 243.354 3.580 30 20 BHED C#C[C@H](C)N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 311184250 BIUHYIXXYGEQCY-YALNPMBYSA-N 241.378 3.570 30 20 BHED C[C@H](Sc1ccncc1)c1cccc(C#N)c1 334607564 GCHBSHJDFLNGEU-NSHDSACASA-N 240.331 3.807 30 20 BHED CC(C)Oc1ccc(OCCC(C)(C)C#N)cc1 410316984 QMRFFKUFCJDSQT-UHFFFAOYSA-N 247.338 3.792 30 20 BHED C=CCC[C@@H](NCC(C)(C)CC#N)c1ccco1 414162148 GNRQUGVQBGCIOR-CYBMUJFWSA-N 246.354 3.816 30 20 BHED C=CCN1CCCC[C@@H]1c1ccc(F)cc1F 432008008 SSKWLLDAKFZLIN-CQSZACIVSA-N 237.293 3.678 30 20 BHED C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H](C(C)C)C1 448905418 APAFWVJIERTKGV-QWHCGFSZSA-N 237.387 3.530 30 20 BHED C=CCCCC[C@@H](C)N[C@@H]1CCCc2c[nH]nc21 449197338 ZBCLCHFGQQJGDY-TZMCWYRMSA-N 247.386 3.512 30 20 BHED C=CCC[C@@H](CCC)NC1CC(C)(F)C1 449376987 QODMUIBETGYTOO-PNESKVBLSA-N 213.340 3.602 30 20 BHED C=C(CC)CN1C[C@H](C)[C@H]1c1ccccc1 538002548 OIXNDPMQCWNMRS-ZFWWWQNUSA-N 215.340 3.646 30 20 BHED CC(C)CCC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 576601848 QFGQWIHHRHZCEX-JKSUJKDBSA-N 248.414 3.827 30 20 BHED CC(C)C[C@@H](C)CC(=O)Nc1cccc(C#N)c1 609009121 FQYCXVCVUNMEOQ-GFCCVEGCSA-N 244.338 3.569 30 20 BHED CCC[C@H](CNCC(C)(C)C#N)c1ccccc1 612585571 MFLZRCDRMZVCOS-OAHLLOKOSA-N 244.382 3.710 30 20 BHED C=CCN(CC=C(C)C)Cc1ccccc1F 615352961 RGCPUPZZSLFEFI-UHFFFAOYSA-N 233.330 3.780 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C[C@@H](C)CCC)C1 617785547 LFQLJIWOXWOJKC-UONOGXRCSA-N 237.387 3.627 30 20 BHED C=CCC1(NC/C(Cl)=C/Cl)CCCC1 690710239 BYXOMXJBNVXFNR-NTMALXAHSA-N 234.170 3.784 30 20 BHED Cc1ccc(NN=Cc2cccc(F)c2F)cc1 730721660 IRFHLDMJCBBVIQ-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C[C@@H]1CC(C)(C)CCC1=NO[C@H]1CCCCO1 755822537 VKDMTGRLCSYAMM-YPMHNXCESA-N 239.359 3.732 30 20 BHED C#CCN(C(=O)C[C@@H](C)CCCCCC)C1CC1 763799070 ILGPWUFWCZFYPU-AWEZNQCLSA-N 249.398 3.607 30 20 BHED c1ccc(CCCNN=C2CC3(CCC3)C2)cc1 772842006 LFMIPZDAJAWLBA-UHFFFAOYSA-N 242.366 3.529 30 20 BHED CC[C@H](C)NN=Cc1cccc2ccccc12 790189421 NSMBMYVXKJQSJB-LBPRGKRZSA-N 226.323 3.562 30 20 BHED Cc1ccc(C)c([C@H](C)NCC2(C#N)CCC2)c1 828095485 PMPHDNNAJVCDRI-AWEZNQCLSA-N 242.366 3.648 30 20 BHED C=C[C@@H](C)ON=C1CC(c2ccc(C)cc2)C1 844623548 HVRKHORRIWRMLY-PUODRLBUSA-N 229.323 3.820 30 20 BHED C=C[C@@H](C)ON=C(C)c1csc(Cl)c1 844626451 VZPKOZZITOYSDY-SSDOTTSWSA-N 229.732 3.717 30 20 BHED CCCCCCCCC(=O)N1CCC[C@H](F)C1 846628013 CPKOZYYTJOPHPN-ZDUSSCGKSA-N 243.366 3.698 30 20 BHED C=CC[C@H](C)[C@@H](C)Nc1ccc(OCC#N)cc1 1320094418 LAFZYEPUSPBDAM-QWHCGFSZSA-N 244.338 3.602 30 20 BHED Cc1cccc(NN=Cc2cccn2C2CC2)c1 1324550071 CWLRHZQWDIVIFV-UHFFFAOYSA-N 239.322 3.577 30 20 BHED CC[C@@H]1CCC[C@H](CNCC(C)(C)CC#N)C1 1560500247 HQUOAEGENNHDJL-KGLIPLIRSA-N 236.403 3.732 30 20 BHED C#Cc1cccc(NC[C@@H](C)c2ccccc2)c1 19991620 ISOQWSODTZHEFS-CQSZACIVSA-N 235.330 3.884 30 20 BHED Cc1cc(C)c(C#N)c(N[C@@H]2CCCC[C@H]2C)n1 35121550 OMRVMXSDISLVOK-QMTHXVAHSA-N 243.354 3.561 30 20 BHED N#CCCCSCCCc1ccccc1 58263098 JAGNLJAHXWWBME-UHFFFAOYSA-N 219.353 3.656 30 20 BHED CCCc1ccc(Nc2ccnc(C#N)c2)cc1 61814950 SHQSVOGKAIEDLD-UHFFFAOYSA-N 237.306 3.649 30 20 BHED N#Cc1ccc(Cl)cc1N1CCCCCCC1 62789867 WRXHSQGVYQOYJU-UHFFFAOYSA-N 248.757 3.982 30 20 BHED CC1(C)CC[C@@H](Nc2ccc(C#N)cc2)C1 87769428 RKCAFVUGPKZPGT-CYBMUJFWSA-N 214.312 3.549 30 20 BHED C=C(CNC1CCC(C)CC1)c1ccccc1 97602928 SSMKHOKIXAMVHI-UHFFFAOYSA-N 229.367 3.868 30 20 BHED N#Cc1c[nH]c(-c2ccc3ccccc3c2)c1 98177906 FAHSPDGECUUIPO-UHFFFAOYSA-N 218.259 3.707 30 20 BHED CC(C)[C@H](NCCC(C)(C)C#N)c1ccccc1 157463796 GWNMKOIJUBVKMJ-HNNXBMFYSA-N 244.382 3.913 30 20 BHED C=CCCCC(=O)Nc1ccc(Cl)c(F)c1 177542923 KIFGUWHBCZVMRZ-UHFFFAOYSA-N 241.693 3.774 30 20 BHED CC(C)N(Cc1ccccc1C#N)CC1CCC1 193202456 FZCIJZBYUBCFKI-UHFFFAOYSA-N 242.366 3.569 30 20 BHED CC1CCC(Nc2cc(F)cc(C#N)c2)CC1 227606140 WPAZDJFKYJXNAI-UHFFFAOYSA-N 232.302 3.688 30 20 BHED N#CCCCSc1ccc(F)c(Cl)c1 269675410 OZHVJBDHMWLJSX-UHFFFAOYSA-N 229.707 3.875 30 20 BHED C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1CCCC#N 296705417 MTADTGIINGBNOW-IIAWOOMASA-N 242.366 3.557 30 20 BHED C=C[C@H](C)Nc1nc(C(F)F)nc2ccccc12 301583927 ALDCIQPWNDLVKC-QMMMGPOBSA-N 249.264 3.554 30 20 BHED C#C[C@H](CC)N[C@@H](C)CCCCCC=C 309069261 ATKGAGZEISTONS-UONOGXRCSA-N 207.361 3.513 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccccc1F 310014561 KINKPHZJAWCFGJ-VXGBXAGGSA-N 221.319 3.831 30 20 BHED CC(C)C[C@@H](C)CNc1cccc(CC#N)c1 313473090 FLRDWHNBJVIMNB-CYBMUJFWSA-N 230.355 3.847 30 20 BHED C=CC1CCN(Cc2cc(C)sc2C)CC1 353583157 ANNWLGKXXZPHHP-UHFFFAOYSA-N 235.396 3.763 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CCC[C@H](C)CC2)CC1 356969643 JVKQRQWPOZNULP-UONOGXRCSA-N 249.398 3.818 30 20 BHED C=CCC[C@H](C)NC[C@H]1CCCC(F)(F)C1 381470267 OEUKXKDCRDLEFL-RYUDHWBXSA-N 231.330 3.756 30 20 BHED C=CCCCC[C@H](C)N[C@H]1CC[C@H](C)C1 389965116 XEUDVHPQXIROOI-IHRRRGAJSA-N 209.377 3.900 30 20 BHED C=C(C)C(C)(C)C(=O)NCC1(CC(C)C)CC1 424725970 WEEWHWVPRCJYEH-UHFFFAOYSA-N 237.387 3.531 30 20 BHED CCOCCCS[C@H](C)c1ccc(C#N)cc1 437271641 BLGBKEPSBXEHIZ-GFCCVEGCSA-N 249.379 3.779 30 20 BHED N#C[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]3CCC[C@H]3C2)C1 447561369 IAYBBEBQOPNTCH-OLMNGRFOSA-N 246.398 3.627 30 20 BHED CC(C)(C#N)CCCCSCC1CC1 460859063 PKRZNEYPQSXALX-UHFFFAOYSA-N 211.374 3.850 30 20 BHED C=CCOc1cccc(CN[C@H](CC)CC=C)c1 466399881 RSBCLUUCUWKSKL-OAHLLOKOSA-N 245.366 3.696 30 20 BHED C[C@@H]1CCN(CC2(C#N)CCC2)[C@@H]2CCCC[C@H]12 515771671 HVXSZJKSNNZSIK-RBSFLKMASA-N 246.398 3.581 30 20 BHED C=CCC[C@H](C)N[C@H]1c2ccc(F)cc2O[C@@H]1C 562056152 CICLRKRKQRHVES-FIXISWKDSA-N 249.329 3.592 30 20 BHED C=CCCC(C)(C)NC(=O)C1=CC[C@H](C)CC1 620864608 JBLFJCJPCAIRFY-LBPRGKRZSA-N 235.371 3.594 30 20 BHED C=CC[C@H]1CC[C@@H](NC2CC(C(F)(F)F)C2)C1 651812282 SPZOOHCBDODDLE-UZEXVOJHSA-N 247.304 3.662 30 20 BHED Oc1ccc2ccccc2c1/C=N\C1CCC1 730464309 NWJZWMFMIARLNQ-YBEGLDIGSA-N 225.291 3.517 30 20 BHED C#Cc1cccc(N(C)CCC(C)(C)C)c1 732982625 GZTOLZCTWDEUJD-UHFFFAOYSA-N 215.340 3.540 30 20 BHED CCCCCC(=NOCCOC)c1ccccc1 748792002 TZNUKVULFFHAGW-UHFFFAOYSA-N 249.354 3.634 30 20 BHED CC(CC1CCCC1)=NNc1ccc(C#N)cc1 752726997 MWDAWEGLAXYYOB-UHFFFAOYSA-N 241.338 3.926 30 20 BHED C=CC[C@@H]1N(C(=O)/C(C)=C\C)CCCC1(C)C 767219559 UJJQFXKEARIMFR-OTAKNEKHSA-N 235.371 3.546 30 20 BHED CCc1ccc(C=NNc2c(C)cccc2F)o1 769841651 UJNXINSZBQUSRQ-UHFFFAOYSA-N 246.285 3.736 30 20 BHED CC(C)[C@H]1CCCC1=NOCCC(F)(F)F 777458899 FQAULDBMXNECRL-SECBINFHSA-N 237.265 3.768 30 20 BHED C=CC1CCN(Cc2ccc(CF)cc2)CC1 777580441 BHFPBUXZEHCHFS-UHFFFAOYSA-N 233.330 3.554 30 20 BHED CC[C@H](C)CON=C(C)c1cccs1 793158553 IQSSTVDSAQZWIR-VIFPVBQESA-N 211.330 3.535 30 20 BHED CCCC1CCC(=NNc2cccc(F)n2)CC1 795008097 VOEMTQRHOJDXKP-UHFFFAOYSA-N 249.333 3.979 30 20 BHED COCCCON=C(C(C)C)C1CCCCC1 795048048 FLAUGMLLTGZMIQ-UHFFFAOYSA-N 241.375 3.632 30 20 BHED CC(C)(C)CC(=NOCC1CC1)C1CC1 814244465 UYYJYBXSPGMQJH-UHFFFAOYSA-N 209.333 3.615 30 20 BHED CSc1ccc(C(C)=NOCC2CC2)cc1 814244477 VRSHUPRHCONLPY-UHFFFAOYSA-N 235.352 3.559 30 20 BHED C[C@@H](C=NOCc1ccccc1)c1ccccc1 839419945 XUSYIYYWPSTGJV-AWEZNQCLSA-N 239.318 3.993 30 20 BHED CCCCCCCC(=O)N[C@@H](CC)C1CC1 855860187 PAHBXGNBTYWDIX-ZDUSSCGKSA-N 225.376 3.652 30 20 BHED CCC(=NNc1ccc(C#N)cc1)c1ccccc1 915961269 CWMWMWXDTUMXRS-UHFFFAOYSA-N 249.317 3.784 30 20 BHED CCCNN=C(C)CC(C)(C)c1ccccc1 915965845 QQQBPDDOZKOKHK-UHFFFAOYSA-N 232.371 3.730 30 20 BHED CCCC[C@@H](CCC)Nc1cccc(CC#N)n1 1255095237 GQZVKZJUNZGRKE-CYBMUJFWSA-N 245.370 3.918 30 20 BHED N#CC1(CCCCN2CCCC3(CC3)C2)CCC1 1334081283 DEYSLMYKVUCTCG-UHFFFAOYSA-N 246.398 3.727 30 20 BHED CCC[C@@H]1CCCN([C@H](C#N)c2ccccc2)C1 1642189054 MKMZRNLNRIODLX-GDBMZVCRSA-N 242.366 3.763 30 20 BHED C=CCCCC[C@@H](C)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 1665693563 BLNMFENPSBZPNE-ARILJUKYSA-N 221.388 3.755 30 20 BHED Cc1ccc(COc2ccc(C#N)cc2C)cc1 36194438 HWPNITNIEIJZPU-UHFFFAOYSA-N 237.302 3.754 30 20 BHED CC(C)(C#N)CCCOc1ccc2c(c1)CCC2 57713504 JVWDOHNNUIMYLI-UHFFFAOYSA-N 243.350 3.884 30 20 BHED N#Cc1ccccc1OCCSC1CCCC1 58395586 QJCBRPFHFQZVOS-UHFFFAOYSA-N 247.363 3.613 30 20 BHED COCC[C@H](C)S[C@@H](C)c1ccc(C#N)cc1 88306827 QOCTVFNDLNXLTA-RYUDHWBXSA-N 249.379 3.777 30 20 BHED COc1ccc(-n2cc(C#N)c3ccccc32)cc1 115178235 UUTBJIWPHZEART-UHFFFAOYSA-N 248.285 3.511 30 20 BHED C=CC[C@@H](C)NC(=O)c1ccc2ccccc2c1 116858305 ZIUXMDRYWRVIED-GFCCVEGCSA-N 239.318 3.534 30 20 BHED C=C(C)CS[C@H](C)c1nc(C(C)C)no1 121808609 BRAMOVNBWNCNRE-SECBINFHSA-N 226.345 3.563 30 20 BHED C=CCC[C@H](CCC)N[C@H]1CCCSC1 159654486 VHAWKSWCOREYCS-STQMWFEESA-N 227.417 3.607 30 20 BHED CCN(Cc1cc(F)ccc1C#N)[C@@H](C)C(C)C 160435470 GKPBYPDMKNYVMY-LBPRGKRZSA-N 248.345 3.564 30 20 BHED CCC(CC)C(=O)O[C@@H](C)c1ccc(C#N)cc1 175767320 RHNVCDSXOWNPLR-NSHDSACASA-N 245.322 3.599 30 20 BHED C=CCC(CC=C)c1nc(-c2ccccc2)no1 176972316 NTTUWTHWCPGVEV-UHFFFAOYSA-N 240.306 3.972 30 20 BHED Cc1ccc(C)c(N[C@@H]2CCC[C@@H](C#N)C2)c1 185734839 JNSOZNFWLMABMF-ZIAGYGMSSA-N 228.339 3.798 30 20 BHED CC[C@H](C)[C@H](C)NCCCCC(C)(C)C#N 233990987 CKMLUMVATZXNAM-STQMWFEESA-N 224.392 3.731 30 20 BHED CC(C)O[C@H](CON=C1CCC1)c1ccccc1 291828404 FOMMSKNCMMPEGZ-OAHLLOKOSA-N 247.338 3.709 30 20 BHED C=CCCSc1nc2ccc(OCC)cc2[nH]1 303815710 OIMMVXMAZXWNEC-UHFFFAOYSA-N 248.351 3.630 30 20 BHED C=C(Cl)CN[C@@H]1CCC[C@@H]1c1ccccc1 309497171 KNWXJGNGVAWCME-ZIAGYGMSSA-N 235.758 3.665 30 20 BHED C=CCC(C)(C)CNc1ccc(C#N)cc1F 310566293 MADFKWSLGKVZDD-UHFFFAOYSA-N 232.302 3.712 30 20 BHED CCC[C@H](N[C@@H](CC)CC#N)C1CCCC1 313395395 HMXWPHFRGBNJMR-KBPBESRZSA-N 222.376 3.627 30 20 BHED CC[C@H](N[C@H](C)c1ccc(C#N)cc1)[C@@H]1C[C@@H]1C 322007655 IAYMBKGTQBQWAV-OJDYBEQGSA-N 242.366 3.643 30 20 BHED C=CC[C@H](C)N[C@@H]1CCCc2cc(F)ccc21 340533116 LGQOEPATSLYKES-XHDPSFHLSA-N 233.330 3.757 30 20 BHED C=CCN(C(=O)c1sccc1C(C)C)C1CC1 347918361 ULRPVIJIHRZWDW-UHFFFAOYSA-N 249.379 3.662 30 20 BHED COCC[C@@H](C)SCc1ccc(C#N)c(C)c1 362472652 KMIHSVWJHBHECL-GFCCVEGCSA-N 249.379 3.525 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)C(F)(F)F 380085456 HKXQKFNLFHBVJR-VHSXEESVSA-N 223.282 3.662 30 20 BHED C=CC[C@H](C)NCc1ccccc1C(C)C 381034927 BCCWTBVDZDQKNU-ZDUSSCGKSA-N 217.356 3.864 30 20 BHED C#C[C@@](C)(CC)NCc1cccc(C(F)F)c1 384199416 ZVFKMTCWTXOUFI-AWEZNQCLSA-N 237.293 3.516 30 20 BHED N#CCCSCCc1c(F)cccc1Cl 413010788 HWGYYMZNSCKNPL-UHFFFAOYSA-N 243.734 3.668 30 20 BHED CCC(C)(C)[C@@H]1CCCN1CC1(C#N)CCC1 450604514 LCOLJOQHBHDIRN-ZDUSSCGKSA-N 234.387 3.581 30 20 BHED C=CCC[C@@H](NCCC(=C)C)c1ccco1 453313214 HTFNFSJZZVTTSU-CYBMUJFWSA-N 219.328 3.843 30 20 BHED C=C[C@@](C)(CC)C(=O)NCC1(CCC)CCC1 467976482 CSJCXDMYBYEGAA-AWEZNQCLSA-N 237.387 3.675 30 20 BHED C=CCCC1(C(=O)N2CC[C@H](C(C)(C)C)C2)CC1 476665346 NMFHBEIFIBRBAT-ZDUSSCGKSA-N 249.398 3.627 30 20 BHED C=C(C)CSCc1ccc(OC)c(F)c1 497216510 WSQYGGONBKDADK-UHFFFAOYSA-N 226.316 3.644 30 20 BHED C=CC1CCN(Cc2ccc3cc[nH]c3c2)CC1 529532058 HSUPPJKLEPBSLH-UHFFFAOYSA-N 240.350 3.566 30 20 BHED C=CC[C@H](CC)NC(=O)[C@H]1CCC(C)=C(C)C1 566562487 OEBFVPKJMYJJBY-KBPBESRZSA-N 235.371 3.594 30 20 BHED C[C@@H]1[C@@H](N[C@@H](C#N)c2ccccc2)CCC[C@H]1C 595439423 HGSVPSLIOOQQQJ-VRKREXBASA-N 242.366 3.666 30 20 BHED C=CCCCN1CCC[C@@H]1c1ccccc1 605149790 RYRIURXVYWZBFI-OAHLLOKOSA-N 215.340 3.790 30 20 BHED C=CCC(CC=C)C(=O)N1[C@H]2CC[C@H]1CC(C)C2 620431839 JGBXOSWFEHKWJN-GJZGRUSLSA-N 247.382 3.544 30 20 BHED CCC(=NNc1cccc([N+](=O)[O-])c1C)C(C)C 727972686 DATJLSCVHRUIAH-UHFFFAOYSA-N 249.314 3.737 30 20 BHED CCC(C=NNc1ccc(OC)cc1)CC 750922183 OHGSZAVYEHQSNU-UHFFFAOYSA-N 220.316 3.529 30 20 BHED C=CCN(CC1CCCCC1)C(=O)/C(C)=C/C 751379392 OWXFFLBZPIRTSD-WLRTZDKTSA-N 235.371 3.548 30 20 BHED C=CC[C@H](C)NC(=O)[C@@H](CCCCC)C(C)C 755377957 APZRDSKLXWXOMV-KBPBESRZSA-N 239.403 3.920 30 20 BHED C[C@H]1CCCC1=NN[C@@H]1CCCCC1(C)C 773122681 COIVLUZFBWMHDM-WCQYABFASA-N 222.376 3.721 30 20 BHED C=CCCCCCCCNC(=O)[C@@H]1[C@H]2CCC[C@H]21 811589770 FWZCAHYHFFTQAX-FICVDOATSA-N 249.398 3.675 30 20 BHED CCc1ccc(C(C)=NOC/C=C\Cl)cc1 811669158 WUCLODMNYBANCF-JDHIIMCOSA-N 237.730 3.742 30 20 BHED CC1(C)CCCC(=NOCCC2CC2)C1 814244784 CGJZCZTUPKIOFH-UHFFFAOYSA-N 209.333 3.759 30 20 BHED C=CCCCCOc1ccc2ccc(=O)oc2c1 828364380 AEPAGIBFEYSJTD-UHFFFAOYSA-N 244.290 3.528 30 20 BHED C/C(=C/Cl)CSCC(C)(C)CC#N 849895976 OGVMHPJUWFRIER-TWGQIWQCSA-N 217.765 3.802 30 20 BHED Clc1ccc(NN=CC2CCCCC2)nc1 853438265 UZKGECOIOJIRDE-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C=CCN(CCOc1cccc(CC)c1)C(C)C 917070433 BFPZWSWEAGDBPP-UHFFFAOYSA-N 247.382 3.524 30 20 BHED CC(C)(NCC1(CC#N)CC1)C1CCCCC1 1333024419 VZDZRFNASUTENA-UHFFFAOYSA-N 234.387 3.629 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)C(CC=C)CC=C 1339037212 MHGCGWGNVUNFKU-OAHLLOKOSA-N 247.382 3.712 30 20 BHED Cc1ccc(C)c(NCc2cccc(C#N)c2)c1 19964593 YVLHWYMHJGDNIH-UHFFFAOYSA-N 236.318 3.787 30 20 BHED C#CCCCCC(=O)N1CCC[C@@H]1CCC(C)C 120292255 YZPBRQLWXCXHGB-OAHLLOKOSA-N 249.398 3.607 30 20 BHED Cc1cc(C#N)ccc1OC/C(Cl)=C/Cl 124161991 XISAPLYRPJVMSI-YHYXMXQVSA-N 242.105 3.565 30 20 BHED C[C@@H]1CCC[C@@H](N(C)CC(C)(C)CCC#N)C1 130672425 CIRIEXCRCWSHJX-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED C#CCCCCN[C@@H]1CCC(C)(C)C[C@@H]1C 130734416 WWPDBLLRLZMKOQ-UONOGXRCSA-N 221.388 3.594 30 20 BHED C#CCCCCNCc1cc2ccccc2s1 150731228 HULZTWGWCXWRJM-UHFFFAOYSA-N 243.375 3.794 30 20 BHED N#CCCCCSCCCOc1ccccc1 161170533 GJSGMCHQQZVYQF-UHFFFAOYSA-N 249.379 3.883 30 20 BHED C[C@@H](NCCC(C)(C)C)c1cccc(C#N)c1 163951426 HUHUZTOHAMWKQT-GFCCVEGCSA-N 230.355 3.645 30 20 BHED C=CCCC[C@H](C)NC(=O)c1cccc(C)c1C 182659345 SWCLOWSJIUYFQN-ZDUSSCGKSA-N 245.366 3.778 30 20 BHED C[C@H](S[C@@H]1CCO[C@@H]1C)c1cccc(C#N)c1 189865931 VGPAYDZZZBBUCS-UHIISALHSA-N 247.363 3.530 30 20 BHED C[C@H]1CCC[C@@H](NCc2ccc(C#N)s2)CC1 191112421 BYEKFNPQNZZKLY-NWDGAFQWSA-N 248.395 3.678 30 20 BHED C[C@@H](N[C@H]1CC[C@H](C)CC1)c1cccc(C#N)c1 245822550 ALAQOPYXDGBSIM-XJKCOSOUSA-N 242.366 3.788 30 20 BHED Cc1ccoc1CN(C)CCCCC(C)(C)C#N 292056896 BHCXZJWVHDEPQA-UHFFFAOYSA-N 248.370 3.740 30 20 BHED CN(c1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 301085380 KIDDRVOYKQBKJZ-QGZVFWFLSA-N 248.329 3.682 30 20 BHED C=C(Cl)COc1cc(Cl)ccc1F 306234100 LKTANENULQVNMS-UHFFFAOYSA-N 221.058 3.610 30 20 BHED C=CCCCCCSC[C@@H](C)OC 308497547 USUVUTHXRSTGOQ-LLVKDONJSA-N 202.363 3.501 30 20 BHED Cc1ccsc1CNc1cccc(CC#N)c1 313436795 LUQSZWNVHFINPM-UHFFFAOYSA-N 242.347 3.735 30 20 BHED Cc1ccc(C)c([C@@H](C)N(C)CCCC#N)c1 346297029 QYEFBXGKOWTBIP-CQSZACIVSA-N 230.355 3.600 30 20 BHED N#CC1(CN2CCC[C@@H]2CCC2CCCC2)CC1 347476925 JRRVJBRONSZXCV-OAHLLOKOSA-N 246.398 3.725 30 20 BHED N#Cc1ccc(SCCC2CCCC2)nc1 356594868 PHMMRAVZZQETNA-UHFFFAOYSA-N 232.352 3.626 30 20 BHED N#Cc1cnc(Oc2ccc(F)cc2)c(Cl)c1 358866855 CNKVUPJPPTUZCQ-UHFFFAOYSA-N 248.644 3.538 30 20 BHED CCCCCCC[C@H](C)NCc1cocn1 381406560 SMIDLCBBXNFJBQ-LBPRGKRZSA-N 224.348 3.513 30 20 BHED C=CCCSCCCc1ccsc1 388708767 OZVCXONGGSSMIU-UHFFFAOYSA-N 212.383 3.990 30 20 BHED C=CCCCC[C@H](C)NCC1(C(F)F)CC1 449294055 KAGHKSZDTBKFIA-NSHDSACASA-N 231.330 3.756 30 20 BHED C=CCC1(C(=O)N2CCC[C@H](C)CC2)CCCC1 449811077 OTJFWSOOZBLUCT-AWEZNQCLSA-N 249.398 3.772 30 20 BHED C=C(C)CCNC(=O)N(CCCC)CCCC 458992185 DBERWLOBCFUJOR-UHFFFAOYSA-N 240.391 3.564 30 20 BHED CC#CCCN(Cc1ccc(Cl)cc1)C1CC1 462329256 YERQFBDXYXACTI-UHFFFAOYSA-N 247.769 3.718 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@@H](CC)CCCC 466535984 KPSZOFHVIOYKRG-QWHCGFSZSA-N 225.376 3.674 30 20 BHED C=CCCC(=O)NC1CCC2(CCCCC2)CC1 470050805 MJMVWKWIAGABFB-UHFFFAOYSA-N 249.398 3.962 30 20 BHED Cc1cc(CN2[C@@H](C)CCC[C@H]2C)ccc1C#N 487869384 GXYWBYKHMSBUQG-OKILXGFUSA-N 242.366 3.630 30 20 BHED C=CCC(C)(C)CNC(=O)c1cc(C)ccc1C 489989057 NVHZFUROAARVFD-UHFFFAOYSA-N 245.366 3.636 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)[C@@H]1CCCOC1 507510947 NPZRUSFYZMTAAJ-SOUVJXGZSA-N 239.403 3.526 30 20 BHED C=C(C)CCN(C)CCCc1ccc(OC)cc1 509278309 GJGQHEPRYGQBNX-UHFFFAOYSA-N 247.382 3.526 30 20 BHED C=CCCCCSCCCOCC 591385876 IORHWYZNUKBORP-UHFFFAOYSA-N 202.363 3.503 30 20 BHED Cc1cccc([C@H](C)N2CCC[C@@H](CC#N)C2)c1 595617298 YDJOKQKJRIZODT-GJZGRUSLSA-N 242.366 3.682 30 20 BHED CC(C)(F)CCNc1cccc(Cl)c1C#N 596468490 JJHZVTFLEVRPPN-UHFFFAOYSA-N 240.709 3.762 30 20 BHED Cc1ccc(NC[C@H](C)CCC#N)c(C)c1 602492759 QAUAXNNGVHHQDL-GFCCVEGCSA-N 216.328 3.655 30 20 BHED Cc1ccnc(Nc2ccc(C3CC3)cc2)c1C#N 612092768 RQSYTHJRVPBBDG-UHFFFAOYSA-N 249.317 3.883 30 20 BHED C=CC[C@H]1CCCN(c2ccncc2Cl)C1 664256848 SBEQVONNSQPINN-NSHDSACASA-N 236.746 3.528 30 20 BHED CC1=CC(=NNCCCc2ccccc2)CCC1 729144992 FGYBWNVWGDGYDK-UHFFFAOYSA-N 242.366 3.695 30 20 BHED CC[C@@H]1CCCC(=NOCC(F)(F)F)C1 764836112 PXLHPDNZVLPYKT-MRVPVSSYSA-N 223.238 3.522 30 20 BHED CC(C)=CCSCc1ccc(OCC#N)cc1 772265046 BRCUNMGNSHPONR-UHFFFAOYSA-N 247.363 3.788 30 20 BHED CSCC(=NOC1CCCC1)c1ccccc1 774604413 WYDVJMZWZILQCJ-UHFFFAOYSA-N 249.379 3.713 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C\c1ccccc1 775925613 UUDATHQAKKCERP-DINCDJDBSA-N 243.350 3.561 30 20 BHED C#Cc1cccc(NCc2ccc(CF)cc2)c1 777539755 KLYHCMFGTJBQBP-UHFFFAOYSA-N 239.293 3.750 30 20 BHED CSCCON=Cc1cccc2ccccc12 794571571 CBKWOBHKEALRJE-UHFFFAOYSA-N 245.347 3.553 30 20 BHED C=CC[C@@H](CC)NC(=O)N[C@H](C)CCCCC 798345891 OTRLCYITNXOAFR-CHWSQXEVSA-N 240.391 3.609 30 20 BHED CC/C(C)=C(\C)C(=O)Nc1scc(C)c1C#N 809003989 DRYMPYHINPTVCE-CSKARUKUSA-N 248.351 3.613 30 20 BHED CC[C@@H]1CCCCC1=NOC/C=C\Cl 811671353 DCKVLGMISDBRKH-JRFFHSKPSA-N 215.724 3.712 30 20 BHED C=CCCC(=O)Oc1ccc(C)c(Cl)c1 841330939 JUSAHMWBIMIDHY-UHFFFAOYSA-N 224.687 3.520 30 20 BHED C[C@H](S[C@@H](C#N)C1CC1)c1cccs1 865357242 HSYVQJQCOFXLOH-KWQFWETISA-N 223.366 3.844 30 20 BHED C=CC(C)(C)CC(=O)OC1CCC(F)(F)CC1 893082690 KIEZXXLWPGLWNU-UHFFFAOYSA-N 246.297 3.710 30 20 BHED CC(C)(C#N)CCOc1ccc2cnccc2c1 902636263 ADDKEYJVQHTWQN-UHFFFAOYSA-N 240.306 3.553 30 20 BHED CCC(C[C@@H](C)CC)=NNc1nc(C)cc(C)n1 915932176 LTEQTQDWOMBEMJ-JTQLQIEISA-N 248.374 3.708 30 20 BHED C=C(Cl)CN(CC)c1cc(C)cc(C)c1 1191636815 VRHWUDJWMIPYPA-UHFFFAOYSA-N 223.747 3.882 30 20 BHED C=C(C)CCC(=O)N(c1ccccc1)C(C)C 1347844862 QTFOZVQWUJYAOZ-UHFFFAOYSA-N 231.339 3.784 30 20 BHED C[C@@H]1CC(C)(C)CN1CCC1(C#N)CCCCC1 1653909931 OUOIIAHTRALFDI-CQSZACIVSA-N 248.414 3.971 30 20 BHED N#C[C@H](c1ccccc1)N1CCCCCCCC1 1658674649 RKTPHPCUZYGTIW-MRXNPFEDSA-N 242.366 3.907 30 20 BHED C=C(Cl)COc1cccc(Br)c1 19436750 SJOHVUPCXFABKF-UHFFFAOYSA-N 247.519 3.580 30 20 BHED C[C@@H]1CCCC[C@H]1Nc1ccc(OCC#N)cc1 20126412 ATAHETRMWGMVRQ-IUODEOHRSA-N 244.338 3.580 30 20 BHED C=CCOc1ccccc1CNC(CC)CC 34991221 OWNUKLOWBOZONY-UHFFFAOYSA-N 233.355 3.530 30 20 BHED Cc1ccc(CNc2ccc(CC#N)cc2)s1 37071206 IMHRRQSCONNHPU-UHFFFAOYSA-N 242.347 3.735 30 20 BHED C[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1F 37412570 QBHDLIAFPBLTLO-MFKMUULPSA-N 232.302 3.688 30 20 BHED CCCCN(CCCC#N)Cc1ccccc1F 63755241 WXZKQVMFOGLHCL-UHFFFAOYSA-N 248.345 3.732 30 20 BHED C#CCCCCN[C@@H](C)c1ccc(OCC)cc1 90398338 YCPLSUXLYBISRU-AWEZNQCLSA-N 245.366 3.539 30 20 BHED C=CCCN1CCc2sccc2[C@H]1CC 132531036 KIWPATWYNURUPA-GFCCVEGCSA-N 221.369 3.633 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C 133393439 LROGRJQJZFDGOA-UMVBOHGHSA-N 249.398 3.696 30 20 BHED C=CCCC(=O)Nc1ccc(OC(C)C)c(C)c1 152844907 CNRACMRKVNKDGP-UHFFFAOYSA-N 247.338 3.687 30 20 BHED C=C[C@@H](C)N[C@H](CC)c1cccc(Cl)c1 157215922 FRKYIQBKMZKHQB-ZWNOBZJWSA-N 223.747 3.955 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc(C)cc1C 161636622 AVGTXFSFJMKVJT-KGLIPLIRSA-N 217.356 3.919 30 20 BHED CC(C)C[C@@H](NCCCC#N)c1ccccc1 180760423 LOEJLIQKOGDAJX-OAHLLOKOSA-N 230.355 3.667 30 20 BHED Cc1nc(Cl)ccc1N[C@H]1CCC[C@@H](C#N)C1 193479824 AWINNGUDUGKZCQ-MNOVXSKESA-N 249.745 3.538 30 20 BHED C#CCCCCN[C@@H]1CC[C@H](C)C[C@@H]1CC 222293177 DYBOBFUDELNQCZ-SOUVJXGZSA-N 221.388 3.594 30 20 BHED C[C@@H](CCC(C)(C)C)NCc1ccc(C#N)cc1 237496067 IETZCEZJNANULE-ZDUSSCGKSA-N 244.382 3.863 30 20 BHED CC[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 249121826 AHLRLUKYIQRNJL-KGLIPLIRSA-N 242.366 3.741 30 20 BHED C=CCC[C@H](CC)Nc1cccc(OCC#N)c1 274042682 AXDIDBVNIBRGPD-ZDUSSCGKSA-N 244.338 3.746 30 20 BHED CC(C)CCNc1ccc2cc(C#N)ccc2n1 301806997 FMCUBDLLRWQXKA-UHFFFAOYSA-N 239.322 3.564 30 20 BHED C=CCC[C@H](C)N[C@@H]1CC[C@H]2CCC[C@H]2C1 309582432 QUFMWQXNKOJFAL-LJISPDSOSA-N 221.388 3.900 30 20 BHED C=CCCCCC[C@@H](C)N[C@H]1CCCSC1 390515083 CSDQPLDUEDBTOX-KGLIPLIRSA-N 241.444 3.997 30 20 BHED C=CC[C@H](CC)Nc1c(F)cc(C#N)cc1F 393765124 GFZWISSJSGBGPE-JTQLQIEISA-N 236.265 3.603 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1cccc([N+](=O)[O-])c1 393782913 QYRVJYZLSYARPS-AAEUAGOBSA-N 248.326 3.600 30 20 BHED N#CCCCOc1cc(C(F)(F)F)ccc1F 396339414 WYESWRVKSPWZKB-UHFFFAOYSA-N 247.191 3.527 30 20 BHED C[C@@H](NCCC#N)c1ccc(F)c2ccccc12 411733451 GHXGXJFVOVZLDN-LLVKDONJSA-N 242.297 3.543 30 20 BHED CCC(C)(C)CN[C@@H](C)c1ccc(C#N)c(F)c1 429437960 QHKABXULKIWUGF-NSHDSACASA-N 248.345 3.784 30 20 BHED C[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1Cl 439455066 TZJWGQAAWBLAHO-GHMZBOCLSA-N 248.757 3.584 30 20 BHED C=CC[C@H]1N(Cc2ccccn2)CCCC1(C)C 444776196 BLVSXVHPEZDKBX-OAHLLOKOSA-N 244.382 3.648 30 20 BHED C=CC(C)(C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 448928983 PDYLVEAEMUMYQW-ZDUSSCGKSA-N 245.366 3.693 30 20 BHED C=C(C)CCN[C@@H]1CSCCc2ccccc21 449473320 HQPWUIDYJVELFJ-OAHLLOKOSA-N 247.407 3.573 30 20 BHED CC#CCCOc1ccc(/C=C\C)cc1OC 462367442 LUPORWCGXOIOIW-YVMONPNESA-N 230.307 3.521 30 20 BHED CC#CCCSC/C=C/c1ccccc1 462373342 OIGDAWWGNTUKGK-DHZHZOJOSA-N 216.349 3.846 30 20 BHED CC(C)[C@H](C)SCc1ccc(F)cc1C#N 463224110 WSHPLNIQZYPWGF-JTQLQIEISA-N 237.343 3.975 30 20 BHED C=CCC[C@@H](NC[C@H]1CC1(C)C)c1ccco1 513713087 KBVCSFQMSRKDEE-CHWSQXEVSA-N 233.355 3.923 30 20 BHED C=C(CC)CSCc1ccc(F)cc1C#N 537993282 QBSGWZUQDXKVBA-UHFFFAOYSA-N 235.327 3.897 30 20 BHED Cc1ccc(CCCn2cc(C)c(C#N)c2)cc1 541289833 FGVPBJYBIZBBBR-UHFFFAOYSA-N 238.334 3.609 30 20 BHED C=CCCCc1nc([C@H]2CCCC[C@@H]2C)no1 547106281 VMFWBSGXIYWBLP-RYUDHWBXSA-N 234.343 3.872 30 20 BHED Cc1ccccc1[C@H](C)N1CCC[C@H](CC#N)C1 595613176 AFQLHCYGVGAMTK-LSDHHAIUSA-N 242.366 3.682 30 20 BHED C[C@@H](c1cccc(F)c1)N1CCC[C@@H](CC#N)C1 595613351 BMDJCVDJTLAIPC-STQMWFEESA-N 246.329 3.512 30 20 BHED N#CCCCCN1CC[C@H](C2CCCCC2)C1 595732184 CSNFQBGKGTUCFB-HNNXBMFYSA-N 234.387 3.582 30 20 BHED C=CC[C@@H](C)NC(=O)C[C@H](C)CC(C)(C)C 604880361 BWGGSCYCYZAGOZ-NWDGAFQWSA-N 225.376 3.530 30 20 BHED C=CCN(C(=O)c1ccc(C)cc1C)C(C)(C)C 622942688 XPDKEHRUPNDYMY-UHFFFAOYSA-N 245.366 3.730 30 20 BHED C=CC[C@@H](C)NC(=O)CC(C1CCC1)C1CCC1 625698672 WTVJMEZTBMJZDL-GFCCVEGCSA-N 249.398 3.674 30 20 BHED C(=NNc1ccc2ccccc2n1)C1CCCC1 741837439 KGOLFWZLLCXMAV-UHFFFAOYSA-N 239.322 3.823 30 20 BHED CCC(Cc1ccccc1)=NOCC(C)C 749636488 MCBKRZCWPJMQQS-UHFFFAOYSA-N 219.328 3.668 30 20 BHED C#CCCc1noc([C@H](C)CCC(C)(C)C)n1 761999175 MBEYNKQPOJWHIO-LLVKDONJSA-N 234.343 3.565 30 20 BHED CC(=NOC1CCCC1)c1cccc(F)c1 774609209 UWXNVFFYZPUOLZ-UHFFFAOYSA-N 221.275 3.509 30 20 BHED C=C(CC)Cn1nc(Cl)c2ccccc21 775682183 GUUJZXIORVEAIB-UHFFFAOYSA-N 220.703 3.656 30 20 BHED CC(C)C(C=NOC1CCCC1)C(C)C 789036281 BPXBSDNIXSHJRI-UHFFFAOYSA-N 211.349 3.860 30 20 BHED CCSc1cccc(C=NN[C@H](C)CC)c1 790191739 WRYGWZGQGMDHBN-LLVKDONJSA-N 236.384 3.521 30 20 BHED CCC(C=NNc1ccc(OC)cn1)(CC)CC 814910175 VVBVWIOHCQFUCA-UHFFFAOYSA-N 249.358 3.704 30 20 BHED C=C[C@H](C)ON=C1CCC[C@@H](C2CC2)C1 844621806 NJWXLKZVCGOKPC-CMPLNLGQSA-N 207.317 3.534 30 20 BHED C=CC[C@@H]1CCCN(C(=O)/C(C)=C(\C)CC)C1 855438266 DKZSFVBDMGNNLT-XTZCOPOCSA-N 235.371 3.548 30 20 BHED C=CCCC(C)(C)NC(=O)/C=C\C1CCCC1 856374828 IJUIYBWKUKKPIW-KHPPLWFESA-N 235.371 3.594 30 20 BHED C=CCN(C(=O)[C@H](F)c1ccccc1)C(C)(C)C 857651101 RSEASWCGSFWLJM-CYBMUJFWSA-N 249.329 3.510 30 20 BHED Fc1ccc(NN=C[C@H]2C[C@H]3C=C[C@H]2C3)c(F)c1 864351466 RUYOBCCQADXXJG-GARJFASQSA-N 248.276 3.575 30 20 BHED C=CC(C)(C)CC(=O)O[C@H](CC)c1ccncc1 891440623 ZVOHCAQQDSKCFW-CYBMUJFWSA-N 247.338 3.678 30 20 BHED CC[C@@H]1C[C@H]1CSCCC(C)(C)C#N 902386194 DSSQIIPPZXSIOM-MNOVXSKESA-N 211.374 3.706 30 20 BHED C=C(C)CCC(=O)NC(C)(C)c1ccc(F)cc1 1337492537 VXSZSTACVVSQAS-UHFFFAOYSA-N 249.329 3.533 30 20 BHED C=C(C)CNC(c1ccccc1)c1ccccc1 41582341 AUGWSUOFSVPFER-UHFFFAOYSA-N 237.346 3.942 30 20 BHED Cc1ccccc1[C@@H](C)NCCC(C)(C)C#N 87591724 FOQMUTBUKWWPEI-CYBMUJFWSA-N 230.355 3.586 30 20 BHED O=C(/C=C/c1ccccc1Cl)c1ccncc1 90160287 GIKMTYBFPGAPFQ-AATRIKPKSA-N 243.693 3.631 30 20 BHED C[C@H]1CCCC[C@@H]1Nc1ccc(F)cc1C#N 111238333 VCBXWCKACKSLGO-GWCFXTLKSA-N 232.302 3.688 30 20 BHED C=CC[C@H](C)Nc1ccc([N+](=O)[O-])cc1Cl 124053209 XPOQSOIPDAQVJO-QMMMGPOBSA-N 240.690 3.625 30 20 BHED C=C(Cl)CN[C@@H]1C[C@H](C)c2c(C)cccc21 129795655 BPVKNDANAQIBRB-GXFFZTMASA-N 235.758 3.885 30 20 BHED CC(C)(C#N)CCCN1CC[C@H](C(C)(C)C)C1 131337217 DTVRCJXPPFSWGM-ZDUSSCGKSA-N 236.403 3.684 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc(CCC)cc1 157245179 YRRXDCMRTOOPJX-OLZOCXBDSA-N 217.356 3.864 30 20 BHED C=CCCN[C@@H](CC(C)C)c1ccccc1 162158487 WOOYYJMEZSORQQ-HNNXBMFYSA-N 217.356 3.940 30 20 BHED CC#CCCNC(=O)C1CCC(CCCC)CC1 166341272 GPTUHBAMNFNIBX-UHFFFAOYSA-N 249.398 3.513 30 20 BHED C#CCCCNC(=O)C1CCC(CCCC)CC1 172931145 KJJFCZFADBQLLO-UHFFFAOYSA-N 249.398 3.513 30 20 BHED CC#CCCCC(=O)N[C@H](C)CCC(C)(C)C 185617675 AKXUZVYBMGZPLF-CYBMUJFWSA-N 237.387 3.511 30 20 BHED C=CCCCCCn1ccc(=O)c2ccccc21 195392259 YBORLCKBRBBLEQ-UHFFFAOYSA-N 241.334 3.748 30 20 BHED C=CCC1(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CCC1 248697557 CZLILJAYTMGHDQ-MELADBBJSA-N 249.398 3.674 30 20 BHED CC[C@H](C)CN(C)[C@H](C)c1cccc(C#N)c1 249291094 VRMQWSPCPKZRLK-QWHCGFSZSA-N 230.355 3.597 30 20 BHED N#CC1(CSc2cccc(Cl)c2)CC1 259841007 AJUBINLSZVLWTO-UHFFFAOYSA-N 223.728 3.736 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1nccc2ccccc12 290670342 LHCZEYTWZMJHFL-CHWSQXEVSA-N 240.350 3.850 30 20 BHED C=CCN(CC=C)CCCc1ccc(Cl)cc1 303824283 KOEPRPXOJOGNTJ-UHFFFAOYSA-N 249.785 3.947 30 20 BHED CC(C)(CNc1cnccc1C#N)C1=CCCC1 312295786 AUKBZKHZVWFXCW-UHFFFAOYSA-N 241.338 3.502 30 20 BHED C=C(CC)CN1CCC[C@H]1c1ccc(COC)o1 342570028 NZTLHYWRKICAEX-AWEZNQCLSA-N 249.354 3.529 30 20 BHED C[C@@H](CC#N)N(C)CCC1C[C@H](C)C[C@@H](C)C1 345905359 DDQQOCMLLSXSBG-MCIONIFRSA-N 236.403 3.683 30 20 BHED C=CCCC[C@H](C)N[C@@H]1CCC[C@H]2C[C@H]21 378732506 LMUAEQCVRZVTFQ-IGQOVBAYSA-N 207.361 3.509 30 20 BHED C#C[C@H](NCc1cc(C)sc1C)C(C)(C)C 390469914 IVLMNBMNMDBJGR-ZDUSSCGKSA-N 235.396 3.502 30 20 BHED C=CC[C@H](CC)N[C@H]1Cc2ccc(Cl)cc2C1 393788971 XPVRXSGXMOJIMP-GJZGRUSLSA-N 249.785 3.752 30 20 BHED C=CCC(C)(C)C(=O)NC[C@@H](CC)CCCC 429913061 CXQLMWWJLQHLCD-ZDUSSCGKSA-N 239.403 3.921 30 20 BHED C=CCC(C)(C)C(=O)Nc1cccc(Cl)c1 429918773 DKMGBSTYGALIAD-UHFFFAOYSA-N 237.730 3.881 30 20 BHED CC(C)C[C@@]1(C)CCCN1CC1(C#N)CCC1 451288736 INCSBBOZTUGIBP-CQSZACIVSA-N 234.387 3.581 30 20 BHED C[C@H]1CC[C@@H](C)N1CC#Cc1ccc(Cl)cc1 466656428 AXHUNPPLNYLPIQ-BETUJISGSA-N 247.769 3.564 30 20 BHED Cc1cc(C)cc(/C=C/c2ccncc2C#N)c1 470282261 GRQMSMBXXGWVDW-ONEGZZNKSA-N 234.302 3.741 30 20 BHED C=C[C@@](C)(CC)c1nc(-c2ccccc2C)no1 522032635 ISJSLPPQCXIDTE-HNNXBMFYSA-N 242.322 3.899 30 20 BHED C=C(C)CN1CCCCC[C@H]1CC(C)C 524892890 RLLRTTBGXIZSGV-AWEZNQCLSA-N 209.377 3.853 30 20 BHED C=CCCCN1CCc2ccccc2[C@H]1C 530902052 BDFHUYTXVAFVLE-CYBMUJFWSA-N 215.340 3.572 30 20 BHED Cc1cc(C)c([C@@H](C)N(C)C[C@@H](C)C#N)c(C)c1 533267169 BRBANPRTMLUYTA-SWLSCSKDSA-N 244.382 3.764 30 20 BHED C=CCN(C(=O)[C@H]1CCC(C)(C)C1)C(C)(C)C 622944759 DLLQLIQDDSLLLH-LBPRGKRZSA-N 237.387 3.626 30 20 BHED C=CCCC(C)(C)NCc1cccc(OC)c1 657805881 VTAABEAGLZVKCV-UHFFFAOYSA-N 233.355 3.530 30 20 BHED C=CCCOC(=O)[C@@H](CC)CC1CCCC1 734080043 IHOYFBUGOGRTQH-ZDUSSCGKSA-N 224.344 3.712 30 20 BHED CCON=Cc1ccc(-c2ccc(F)cc2C)o1 734298195 BSMUTOOUGMYQOW-UHFFFAOYSA-N 247.269 3.765 30 20 BHED C=C(C)CCOC(=O)/C=C\Sc1ccccc1 744303877 CCKWANSEUAJVCL-LUAWRHEFSA-N 248.347 3.802 30 20 BHED C/C(C=NOCC(C)C)=C/c1ccccc1 749636848 TUVHPQRWAIKHCC-TVSRFXDQSA-N 217.312 3.748 30 20 BHED C=C[C@@H](C)NC(=O)CCCCCCCCC 757013301 QZFKPLJTZZRKHW-CYBMUJFWSA-N 225.376 3.818 30 20 BHED FC(F)CON=C1CC[C@@H]2CCCC[C@H]2C1 758912800 YPHZYVYQOJXWDM-UWVGGRQHSA-N 231.286 3.614 30 20 BHED C=C[C@@H](CC(=O)O[C@H](C)CC)c1ccccc1 758913145 IJFXTRKXJGSURI-OLZOCXBDSA-N 232.323 3.688 30 20 BHED c1ccc(CSCCCON=C2CCC2)cc1 761312995 MGTUXKNXAWYHLC-UHFFFAOYSA-N 249.379 3.866 30 20 BHED Cc1ccccc1C=NOC/C(Cl)=C\Cl 763172644 SSWMQHDAOSGSCQ-TYCBBYHBSA-N 244.121 3.665 30 20 BHED CCO[C@H]1CCCC1=NNc1ccccc1CC 766434948 TZRRTJQAJUHLGN-HNNXBMFYSA-N 246.354 3.606 30 20 BHED C=CC[C@@H]1N(C(=O)/C=C/C=C\C)CCCC1(C)C 767218316 FQVJZCKKFCEFBY-PGNFZCLQSA-N 247.382 3.712 30 20 BHED C#CC[C@H](N[C@H](C)[C@H](C)CC)c1ccccc1 773117085 UAJHGUPQGJIXJB-FMKPAKJESA-N 229.367 3.775 30 20 BHED C=C(C)CN(C)C(=O)[C@H](CC)CCCCC 778122395 HABXOHVSDFVKSX-CYBMUJFWSA-N 225.376 3.627 30 20 BHED C#CCCCCCC(=O)Nc1cccc(C)c1F 779951954 VXVNIYVEXSPSDF-UHFFFAOYSA-N 247.313 3.656 30 20 BHED CC1(C=NNc2cccc(C(F)(F)F)c2)CC1 782112490 ZZBMCMTXPYLQTI-UHFFFAOYSA-N 242.244 3.903 30 20 BHED CC(C)(C#N)CCCn1cnc(Cl)c1Cl 784992412 PAZIUPSNJJDTFJ-UHFFFAOYSA-N 246.141 3.520 30 20 BHED CC[C@@H](SCCO[C@H](C)C#N)c1ccccc1 801657936 LWHGKNLGDFPSBU-TZMCWYRMSA-N 249.379 3.800 30 20 BHED C=CCCCCCCNC(=O)C[C@H]1C=CCC1 805218623 HOUOZCKIPAPWMK-AWEZNQCLSA-N 235.371 3.595 30 20 BHED Cc1cc(F)ccc1NN=C1CC[C@@H](C)C1 814884914 DKAHDSKWHGFHQU-SECBINFHSA-N 220.291 3.722 30 20 BHED C=C(C)CCOC(=O)c1ccn(C(C)C)c1C 815314985 OKQCWCXVMDDZLN-UHFFFAOYSA-N 235.327 3.500 30 20 BHED C[C@@H](CC(C)(C)C#N)N[C@H](C)CCc1ccco1 829178258 DGKZJAWQCLQVAD-OLZOCXBDSA-N 248.370 3.519 30 20 BHED C[C@@H](CC(C)(C)C)OC(=O)CCCCCC#N 835705364 XRIFQFDWMIBWPB-LBPRGKRZSA-N 239.359 3.828 30 20 BHED C#CCCCCC(=O)NC[C@@H]1CCCC(C)(C)C1 837115519 BXYGMXVQUCQSNX-CQSZACIVSA-N 249.398 3.513 30 20 BHED C#CC1CCC(=NNc2cccc(C)c2)CC1 853258444 PKLPRMPUJJMURM-UHFFFAOYSA-N 226.323 3.586 30 20 BHED C=C1CC(c2noc([C@H](C)C(C)(C)C)n2)C1 896884347 KJKURVFTRRIBLG-VIFPVBQESA-N 220.316 3.653 30 20 BHED Cc1ccccc1SCc1cc(C#N)ccn1 1165562016 GYDNKJLRDJUQDD-UHFFFAOYSA-N 240.331 3.554 30 20 BHED CC(C)[C@H](C)N(CC1(C#N)CC1)c1ccccc1 1473789580 NAYYHWHPQVCKRF-AWEZNQCLSA-N 242.366 3.841 30 20 BHED CC(C)(C)C[C@H]1CCN(CC2(C#N)CC2)C1(C)C 1559903402 YPSZGLCHUAAHKF-CYBMUJFWSA-N 248.414 3.827 30 20 BHED C=CCc1ccc(OCCCCC)c(OC)c1 33637770 JEQOQDNQQSEKIA-UHFFFAOYSA-N 234.339 3.993 30 20 BHED Cc1ccc(CNc2ccc(Cl)c(C#N)c2)o1 36972983 UEZOAEKWVHLECN-UHFFFAOYSA-N 246.697 3.725 30 20 BHED CC(C)CCN(Cc1cccc(C#N)c1)C1CC1 45751757 MYZFDUPYTCEEFL-UHFFFAOYSA-N 242.366 3.569 30 20 BHED CN(CCC(C)(C)C#N)C1CCCCCC1 87595191 NRLZRIDUYKJMSV-UHFFFAOYSA-N 222.376 3.581 30 20 BHED C#CCCCCN[C@@H](CC)c1cccs1 90397364 LJIMJGZVPMUURZ-LBPRGKRZSA-N 221.369 3.592 30 20 BHED Cc1ccoc1C(=O)/C=C/c1ccccc1F 119004538 MPTYGNBUXWVVHP-VOTSOKGWSA-N 230.238 3.623 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1nccs1 133094494 CWFULXSSIRIUFT-WDEREUQCSA-N 224.373 3.539 30 20 BHED C=CCCNCc1ccc(F)c(C(F)(F)F)c1 161741907 HCDNNMHKDBIFJS-UHFFFAOYSA-N 247.235 3.510 30 20 BHED C#CCCCN[C@@H]1CC[C@H](C)c2ccccc21 178059276 GBVOPKWATWZANQ-XJKSGUPXSA-N 227.351 3.628 30 20 BHED CC(C)CCN(Cc1ccc(C#N)s1)C1CC1 180023249 XAJZBMNNVLLBCT-UHFFFAOYSA-N 248.395 3.630 30 20 BHED C=C(C)CN[C@@H](C)c1c(F)cccc1Cl 181762572 AWBSCRPDFDOXFR-VIFPVBQESA-N 227.710 3.706 30 20 BHED C=CCCCOc1ccc([C@H]2CCOC2)cc1 190309986 CXOJTYQRGQXVKI-AWEZNQCLSA-N 232.323 3.536 30 20 BHED N#Cc1cccc(CSc2ccccc2)c1F 223536939 YFNIRLZTEQZTEY-UHFFFAOYSA-N 243.306 3.990 30 20 BHED CC1(C)CCCC[C@H]1NCc1ccccc1C#N 227001276 DJYRUPCZTICYLA-OAHLLOKOSA-N 242.366 3.617 30 20 BHED C=C(C)CN1CCC[C@@](C)(c2ccccc2)C1 303577370 JVIVMIOKMLFUHI-MRXNPFEDSA-N 229.367 3.616 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCCC12CCCC2 328157544 HFKFYJUPCWGWIP-CHWSQXEVSA-N 207.361 3.654 30 20 BHED C=CCCCSCc1ncc(Cl)s1 336646703 CVKFWASOTJEYJQ-UHFFFAOYSA-N 233.789 3.996 30 20 BHED C=C(CC)CSc1nc2nc(C)ccc2o1 342434514 MIHCNZSCLKSWHC-UHFFFAOYSA-N 234.324 3.590 30 20 BHED N#CCN(CCC1=CCCCC1)C1CCCC1 384918157 FWVLYYJDWVSOLZ-UHFFFAOYSA-N 232.371 3.645 30 20 BHED C=CC[C@H](CC)NC1CCC(CSC)CC1 393795669 IDTGYZQITWVZIZ-MOKVOYLWSA-N 241.444 3.853 30 20 BHED CCCCCCC[C@@H](C)NCc1cnc(C)o1 397853627 AIBHIOFJFZAXQK-GFCCVEGCSA-N 238.375 3.822 30 20 BHED C[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 411145129 BMSIHKRTMZUSOF-AWEZNQCLSA-N 234.387 3.582 30 20 BHED Cc1ccccc1[C@H](C)NCC(C)(C)CC#N 414166607 NXQDBHQCRCGQRT-ZDUSSCGKSA-N 230.355 3.586 30 20 BHED CCC[C@@H](C)[C@@H](CC)NCC(C)(C)CC#N 414173749 XHUPCIOKROOIFH-CHWSQXEVSA-N 224.392 3.731 30 20 BHED C=CCCNc1ccc(C)cc1SC 417052185 BUFDLEPLAUPGLF-UHFFFAOYSA-N 207.342 3.705 30 20 BHED C=C(C)C(C)(C)C(=O)N1CCC(C)(CC)CC1 424631393 AHHRRCFOYAKTAN-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H](C)C1CCCCC1 424680133 DOTJYJRQUPGHEI-GFCCVEGCSA-N 237.387 3.674 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H](C)CC1 424808059 SWGOCNPVRGDDIH-QWHCGFSZSA-N 237.387 3.674 30 20 BHED CC(C)CC[C@H]1CCC[C@@H]1NCC1(CC#N)CC1 430720961 BIMDPOFARXUPPU-CABCVRRESA-N 248.414 3.875 30 20 BHED CC#CCCN1CC[C@@H](c2ccccc2)C[C@H]1C 439320587 ODUUQQXARJXWFL-NVXWUHKLSA-N 241.378 3.668 30 20 BHED C=CCC1(C(=O)N[C@@H]2CCC2(C)C)CCCCC1 451765103 WXRAKUOBTGDQNS-CYBMUJFWSA-N 249.398 3.818 30 20 BHED CCC[C@H]1CCc2ccccc2N1CCCC#N 470018604 QBEMNLCJHXOQHQ-HNNXBMFYSA-N 242.366 3.912 30 20 BHED C=CCCC(=O)Nc1cccc(CC)c1CC 489502749 VXJUSGYFOYTEGA-UHFFFAOYSA-N 231.339 3.716 30 20 BHED COC1(CSc2ccc(C#N)c(C)c2)CCC1 521873807 OVRBOXZWAXBJNE-UHFFFAOYSA-N 247.363 3.528 30 20 BHED C=CCN1CCc2c(ccc(Cl)c2Cl)C1 523894113 OPUJWEBZGZYQRJ-UHFFFAOYSA-N 242.149 3.538 30 20 BHED C=CCCN[C@H](CC)C(C)(C)c1ccccc1 537224044 JMEKKGCAPYOPGI-OAHLLOKOSA-N 231.383 3.909 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1ccc(CC)cc1 540537201 DOANNTYWUIMJCY-CYBMUJFWSA-N 245.366 3.724 30 20 BHED C=CCC(C)(C)c1noc(C[C@@H](C)CC)n1 551137394 YESVVFOTHYEHKG-JTQLQIEISA-N 222.332 3.512 30 20 BHED CN(CC1CCC(C)(C)CC1)CC(C)(C)C#N 552085313 YYYWYPHPLWFGRF-UHFFFAOYSA-N 236.403 3.684 30 20 BHED C=CCCCSCc1cccc([N+](=O)[O-])c1 609804668 YONZWJIISNKVMI-UHFFFAOYSA-N 237.324 3.794 30 20 BHED Cc1cc(C#N)ccc1CSCC1CCC1 614394611 DFMPKSYSUFZEPM-UHFFFAOYSA-N 231.364 3.900 30 20 BHED CC(C)=CCS[C@H](C#N)Cc1ccccc1 618457747 GIXXMKWGRLXYMK-AWEZNQCLSA-N 231.364 3.821 30 20 BHED C=C(C)CN(C)CCCc1ccccc1Cl 680075940 QPAKJBNUHTVVEX-UHFFFAOYSA-N 237.774 3.781 30 20 BHED C=CCCCCN[C@H](C)c1ccc(C)nc1C 681140058 QZFHDNCJYXEJLM-CYBMUJFWSA-N 232.371 3.705 30 20 BHED C[C@@H](CC(C)(C)C#N)NC[C@H](C)C(C)(C)C 710019169 SIIRIRPMQYIYQA-RYUDHWBXSA-N 224.392 3.587 30 20 BHED C=C(C)COC(=O)C[C@H](CC)CCCC 735364141 WSXCNDBEHLRCDI-GFCCVEGCSA-N 212.333 3.712 30 20 BHED C=CCOc1cccc(NC(=O)C(C)=C(C)C)c1 751359678 AZGJDHRXNNPQPL-UHFFFAOYSA-N 245.322 3.546 30 20 BHED CON=C[C@H](C)Cc1ccc(C(C)(C)C)cc1 754706307 HOBFTCOSQKVKGV-GFCCVEGCSA-N 233.355 3.795 30 20 BHED COc1ccc(/C=C2/CCCC(C)(C)C2=O)cc1 757535500 VKBOTXQVHPUCGI-QBFSEMIESA-N 244.334 3.858 30 20 BHED C[C@@H]1CCC[C@@H](C=Nn2cnc3ccccc32)C1 768354162 FUBAHYCMJBKFFT-CHWSQXEVSA-N 241.338 3.697 30 20 BHED C=CCN(C[C@H]1C[C@H]1c1ccccc1)C(C)C 768547060 HOIRMPPQBKWXRR-CVEARBPZSA-N 229.367 3.687 30 20 BHED C#CC[C@H](N[C@@H](C)CC1CCC1)c1ccccc1 773108273 VIOXHIAHMZMGOW-YOEHRIQHSA-N 241.378 3.919 30 20 BHED C1CC(=NN[C@@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C2CC2)C1 774595586 DRVJEDACFXCADA-ATVPRXPUSA-N 246.398 3.721 30 20 BHED CC1(C=NNc2c(F)cccc2Cl)CC1 782272360 OWYXACMEMLHWIK-UHFFFAOYSA-N 226.682 3.677 30 20 BHED CC1(C)CCC(=NNc2cc(F)cc(F)c2)C1 783832697 SQCJWMSQCYXHBI-UHFFFAOYSA-N 238.281 3.943 30 20 BHED C[C@@H](NN=C/C=C\c1ccc(F)cc1)C(C)(C)C 793111536 IQPMJRFHGRTUKE-MYHLVXSZSA-N 248.345 3.849 30 20 BHED CC[C@@H]1C[C@H](C)CCC1=NNc1ncccc1F 794992764 DBAHICRIWIREEX-GHMZBOCLSA-N 249.333 3.835 30 20 BHED C#CCCNc1ccccc1-c1csc(C)n1 795050229 YLZHXDJAKKQLCO-UHFFFAOYSA-N 242.347 3.554 30 20 BHED Cc1cc(F)ccc1NN=C[C@H]1CC[C@@H](C)C1 800814415 NXLLWKLDEPYQRJ-PWSUYJOCSA-N 234.318 3.968 30 20 BHED CC(=NOC/C=C\Cl)c1ccc(C)s1 811671960 YQXKKFLILXDZJK-FFXBBRIZSA-N 229.732 3.550 30 20 BHED C(=NOC1CCC1)c1cc2ccccc2s1 812235246 QFXBURHZCUTATD-UHFFFAOYSA-N 231.320 3.804 30 20 BHED C=C[C@@H](C)ON=C(C)c1cccc(C)c1C 844623013 DIRAKFVRFAKXBA-LLVKDONJSA-N 217.312 3.619 30 20 BHED CC[C@H](OCCON=C1CCC1)c1ccccc1 844765413 WFEMIMROCPWIOA-HNNXBMFYSA-N 247.338 3.711 30 20 BHED C[C@@H](S[C@H](C#N)C1CC1)c1cccs1 865357243 HSYVQJQCOFXLOH-LDYMZIIASA-N 223.366 3.844 30 20 BHED C[C@H](SCCOC1CC1)c1ccc(C#N)cc1 902327880 XTRBPAJUKPDMAW-NSHDSACASA-N 247.363 3.531 30 20 BHED CC(C)(C)ON=C(Cc1ccccc1)C1CC1 1319582191 BPZTXBYQYHGEQV-UHFFFAOYSA-N 231.339 3.810 30 20 BHED N#CC1(CC(=O)OCC2=CCCC2)CCCCC1 1329529651 CAXNQHHXUHFLCJ-UHFFFAOYSA-N 247.338 3.504 30 20 BHED C=CCCN(C)[C@@H](C)c1cc(F)ccc1F 132566543 SVZJRAVKBYPKQM-JTQLQIEISA-N 225.282 3.534 30 20 BHED C=CCS[C@@H](C)c1nc(-c2ccccc2)no1 154930924 FMWJEJDIUMIQDW-JTQLQIEISA-N 246.335 3.717 30 20 BHED CCCCCCCC(=O)N[C@@H]1CC[C@H](C)C1 159769794 JQLDIEMGFXBYCP-QWHCGFSZSA-N 225.376 3.652 30 20 BHED C=CCCCC(=O)N[C@H](C)[C@@H](C)c1ccccc1 176411275 XPRWLJDIAYARIU-ZIAGYGMSSA-N 245.366 3.651 30 20 BHED N#CCCCCNCc1cc2ccccc2s1 177112749 ZVFQPUYTUSNJAD-UHFFFAOYSA-N 244.363 3.685 30 20 BHED CCCC(CCC)C(=O)Nc1ccccc1C#N 211741736 IKTXMRRQCCKMJO-UHFFFAOYSA-N 244.338 3.713 30 20 BHED C=CC[C@H](C)NC/C(C)=C\c1ccccc1 255614257 GPDWBTXDYTWGEK-FZDNWWAKSA-N 215.340 3.644 30 20 BHED C=CCCC(=O)N(Cc1cccc(F)c1)C(C)C 263662298 JYLDZCCJDUGGTM-UHFFFAOYSA-N 249.329 3.529 30 20 BHED C=CCC[C@H](N[C@@H](C)CC)c1ccco1 295964751 MHZJRMFISBBDFZ-RYUDHWBXSA-N 207.317 3.675 30 20 BHED Cc1nsc(N[C@@H]2CCC[C@@H](C)CC2)c1C#N 300557014 DCIJGVDEDUMMGE-MWLCHTKSSA-N 249.383 3.704 30 20 BHED C#C[C@H](NC(=O)CCCCCCCC)C(C)C 304201734 ZWFCOUCAWAFODU-AWEZNQCLSA-N 237.387 3.511 30 20 BHED N#Cc1cc(Cl)cc(OC2CCCC2)c1 309063136 XHSHOLXROBUALB-UHFFFAOYSA-N 221.687 3.533 30 20 BHED CCCCCCCN[C@H](CC)[C@H]1CCCO1 310022052 NVOATQZQKDTUEC-ZIAGYGMSSA-N 227.392 3.504 30 20 BHED C=CCC[C@@H](C)NCc1cccc2cc[nH]c12 343485192 GQXHNOWRFFQCSB-GFCCVEGCSA-N 228.339 3.612 30 20 BHED CCSc1ccccc1[C@H](C)NCCCC#N 346791687 JYFCHAMLNZDESG-LBPRGKRZSA-N 248.395 3.753 30 20 BHED C=CCC[C@@H](C)N[C@H](CC)CC(F)(F)F 389891130 WAGLOEUUQODUFD-NXEZZACHSA-N 223.282 3.662 30 20 BHED C=CC[C@@H](CC)NC(=O)C[C@@H](C)C(C)(C)C 410134251 HHZZBGVPMGNTPP-VXGBXAGGSA-N 225.376 3.530 30 20 BHED N#C[C@H]1CC[C@H](SC2CCCCC2)C1 450630183 TZFXTLUIJQVYGG-JQWIXIFHSA-N 209.358 3.745 30 20 BHED CCC(CC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 535589671 SLLBAIARJCMAII-LLVKDONJSA-N 244.338 3.569 30 20 BHED C=C(CC)CN1CCC[C@H]1c1cccc(OC)c1 539095065 PAQHHARRMCYIJA-INIZCTEOSA-N 245.366 3.798 30 20 BHED C=CCCC[C@@H](C)NC(=O)C[C@@H](C)CC(C)C 539437507 ZJMGAASAXHPDPP-UONOGXRCSA-N 239.403 3.920 30 20 BHED CC(C)C[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 540706209 FAFGBLFHJZMZIK-NEPJUHHUSA-N 248.345 3.783 30 20 BHED C=CCC(C)(C)c1noc(CCCCC)n1 560023761 HMZGALWEKDHQET-UHFFFAOYSA-N 222.332 3.656 30 20 BHED CC(C)CCC[C@H](C)NC[C@@H](C)CCC#N 602504451 QEUZKMYUURSXPR-KBPBESRZSA-N 224.392 3.731 30 20 BHED C=CCN(C(=O)C[C@@H]1CCC[C@H]1C)C(C)(C)C 622944993 NZPBPCWGTCSUPZ-OLZOCXBDSA-N 237.387 3.626 30 20 BHED C=CCCC[C@@H](C)NC(=O)C(C)(C)CCC 649903693 UARNWELRUJMODY-GFCCVEGCSA-N 225.376 3.674 30 20 BHED C=CCCCCN1Cc2cc(F)c(F)cc2C1 653830805 KSWZPFRTWXAALX-UHFFFAOYSA-N 237.293 3.637 30 20 BHED C=C(C)CCc1noc(/C=C(/C)c2ccco2)n1 664877295 RDJCCUATICTRHR-LUAWRHEFSA-N 244.294 3.732 30 20 BHED C=CC[C@H](C)NC(=O)[C@H]1CC[C@H](C2CCC2)CC1 668855224 XFPNEQPQDVJXTN-QEJZJMRPSA-N 249.398 3.674 30 20 BHED CON=C(Cc1ccccc1)c1sccc1C 735971983 GAQOZBNGWZQMHV-UHFFFAOYSA-N 245.347 3.650 30 20 BHED C#CC[C@@H](Nc1cc(C)ccn1)c1ccccc1 756953987 VNEWHWIEMMOQPS-OAHLLOKOSA-N 236.318 3.567 30 20 BHED C=CCCCCOC(=O)c1sccc1C 811010135 KOANVPGUAUQGKK-UHFFFAOYSA-N 224.325 3.570 30 20 BHED C(=NOCCC1CC1)c1coc2ccccc12 814245588 YTLMXBDZHJVKTN-UHFFFAOYSA-N 229.279 3.583 30 20 BHED C=CCCCC[C@@H](C)NCC(=C)Br 823818449 ASYSRBZYBRLBSK-LLVKDONJSA-N 246.192 3.620 30 20 BHED C=C[C@@H](C)ON=CCCCCOc1ccccc1 844622145 VITZWXSYFROILY-CQSZACIVSA-N 247.338 3.813 30 20 BHED C[C@H](C=NNc1ccc(Cl)cn1)C(C)(C)C 853437255 HZGQAPSJFBODNW-SECBINFHSA-N 239.750 3.815 30 20 BHED C=C1CCC(C(=O)Nc2ccccc2C)CC1 887583983 XIVTZRZKLVNXGS-UHFFFAOYSA-N 229.323 3.680 30 20 BHED Cc1cc(CSCC2(CC#N)CC2)cs1 1339184199 ZIURINHUAWZCIR-UHFFFAOYSA-N 237.393 3.984 30 20 BHED C=C(CC)C(=O)N1CCC[C@H]1c1ccc(C)s1 1548647504 BELWYJCKWXSARZ-LBPRGKRZSA-N 249.379 3.686 30 20 BHED C#Cc1cccc(NCc2c(F)cccc2F)c1 19876814 UZKNUOSCOPPIIF-UHFFFAOYSA-N 243.256 3.558 30 20 BHED C[C@@H](Nc1cccc(F)c1)c1ccc(C#N)cc1 19920677 SXWHWFCYDNYYOG-LLVKDONJSA-N 240.281 3.870 30 20 BHED CCCCC[C@@H](C)NCc1cc(C#N)ccc1F 42269255 WNGXYFFJAGPEAT-GFCCVEGCSA-N 248.345 3.756 30 20 BHED N#Cc1csc(CNCCC2=CCCCC2)c1 93492006 UVFXDPKZHTYTCQ-UHFFFAOYSA-N 246.379 3.600 30 20 BHED C=CCC[C@H](C)N[C@@H](C)c1ccccc1 96033669 PMIZJBZWVQJHJJ-STQMWFEESA-N 203.329 3.692 30 20 BHED Cc1ccc([C@H](C)N(C)CCCCC#N)cc1 102397424 DRJVHCBGQDDKRZ-AWEZNQCLSA-N 230.355 3.682 30 20 BHED C=C[C@@H](C)N[C@H](CC)c1ccc(F)cc1F 119344004 MIMPDYIYVIGUMB-NOZJJQNGSA-N 225.282 3.580 30 20 BHED Cc1ccc([C@H]2[C@@H](C)CCCN2CCC#N)cc1 157695222 TWSINNPWIAAHTA-GOEBONIOSA-N 242.366 3.682 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc(C)c(C)c1 161663516 QPORJWQZOOMUED-KBPBESRZSA-N 217.356 3.919 30 20 BHED C=CCNc1ccc(Cl)cc1OC(F)F 186134359 ZBRDWWDREJYSBS-UHFFFAOYSA-N 233.645 3.539 30 20 BHED CC(C)C(CN[C@@H]1CCC[C@H](C#N)C1)C(C)C 193341141 RASABDZYLQSQDX-UONOGXRCSA-N 236.403 3.587 30 20 BHED CC(C)=CCC[C@H](C)CC=Nn1c(C)nnc1C 254843083 XEZFPJOMCZUVPP-LBPRGKRZSA-N 248.374 3.501 30 20 BHED C=CCC[C@@H](CCC)N[C@@H]1CCCc2cn[nH]c21 271493879 KVXLVPNRPITNDN-ZIAGYGMSSA-N 247.386 3.512 30 20 BHED N#C[C@H]1CC[C@@H](Sc2ccc(Cl)cn2)C1 287476246 IKMDWPPFCNYQFV-WCBMZHEXSA-N 238.743 3.519 30 20 BHED CCC[C@@H](C)CC(=O)Nc1ccccc1CC#N 339185441 KWYHIFKKUJYUCR-GFCCVEGCSA-N 244.338 3.517 30 20 BHED C=CCC[C@@H](NCCc1ccco1)c1ccco1 353432957 DUBBHSXWRPSNFW-CQSZACIVSA-N 245.322 3.712 30 20 BHED CC(C)CN(CCC#N)C[C@@H]1CCC[C@H](C)C1 383432179 BZVINAYVOUXNHU-LSDHHAIUSA-N 236.403 3.684 30 20 BHED C=CCCCCCCNCc1ccc(C)o1 393818637 OPANOWOAIQJNAW-UHFFFAOYSA-N 221.344 3.814 30 20 BHED C=CCCC[C@@H](C)Nc1ncnc2ccccc12 398240780 YTRUTLNXTAMVPA-GFCCVEGCSA-N 241.338 3.787 30 20 BHED C=CCC(C)(C)C(=O)NC[C@H]1CCC[C@@H]1C1CC1 412475394 MQEXHSGRCXYFAJ-ZIAGYGMSSA-N 249.398 3.531 30 20 BHED CCC(C)(C)CCSc1cc(C#N)ccn1 463249219 CZPJLGCFUDCEEM-UHFFFAOYSA-N 234.368 3.872 30 20 BHED C=C(C)CN(CC)CCCc1ccccc1OC 505528334 QGGZJJMAGQCFGN-UHFFFAOYSA-N 247.382 3.526 30 20 BHED COc1c(C)ccc(NC[C@@H](C)CCC#N)c1C 602494903 QORMQIHASPJRFI-NSHDSACASA-N 246.354 3.664 30 20 BHED C[C@@H](CCC#N)CN[C@@H](c1cccs1)C1CC1 602507611 OTNOBWGBTGQFKK-SMDDNHRTSA-N 248.395 3.729 30 20 BHED C=CCCSCc1cccc(F)c1F 610087689 HPBPGEHDNFEKSO-UHFFFAOYSA-N 214.280 3.774 30 20 BHED C[C@@H](COc1cccc(F)c1C#N)C(C)(C)C 711221869 ALUSELWQKVNONA-JTQLQIEISA-N 235.302 3.758 30 20 BHED CCc1ccccc1NN=C(C)c1nccs1 732622297 PNNPSKMTVDXCJK-UHFFFAOYSA-N 245.351 3.542 30 20 BHED CCON=C(C)[C@H](C)c1nc2ccccc2s1 748781157 TXRFQMCUCITTPK-VIFPVBQESA-N 248.351 3.812 30 20 BHED CC(CC1CCC1)=NNc1ccc(F)cc1F 758355539 VXOAYJFNVQNNDJ-UHFFFAOYSA-N 238.281 3.943 30 20 BHED Cc1ccc(F)c(NN=Cc2ccccc2F)c1 759652734 LLHBLOYJUOQIRP-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C#CCCCN1CCC[C@H](c2ccccc2)CC1 766896638 WDKLOEDIJQQWBY-KRWDZBQOSA-N 241.378 3.670 30 20 BHED CC(C)=NNc1c(Cl)cc(F)cc1Cl 767909835 OGKNPPAXDLEHKH-UHFFFAOYSA-N 235.089 3.940 30 20 BHED COCC(=NOC1CCCCC1)C1CCCC1 780241957 XTMRPCHQLUFXDF-UHFFFAOYSA-N 239.359 3.528 30 20 BHED Cc1cccnc1NN=C[C@H]1CCC[C@H](C)C1 790187231 UCXROMSBNLPSDY-AAEUAGOBSA-N 231.343 3.614 30 20 BHED CC(C)(C)CSCc1ccc(OCC#N)cc1 799306001 DZAPIPJVUXOQGB-UHFFFAOYSA-N 249.379 3.868 30 20 BHED C#C[C@@H](CC)NC[C@H](CCC)c1ccccc1 809685718 MVTUBBRYGUOGTR-HOTGVXAUSA-N 229.367 3.572 30 20 BHED CC(C)[C@H]1CCCCC1=NOCC1CC1 814243052 CRQCTRSPWLESKY-GFCCVEGCSA-N 209.333 3.615 30 20 BHED CC(=NOCC1CC1)c1coc2ccccc12 814244423 SLYIMWMRFFAPEB-UHFFFAOYSA-N 229.279 3.583 30 20 BHED CCC(=NNc1ccccc1)[C@H]1C[C@H]1C 841604079 LUFCLXUZOLJIRB-PWSUYJOCSA-N 202.301 3.521 30 20 BHED CCC(=NNc1ccccc1F)[C@@H]1C[C@H]1C 841616979 TZYZZNKVUQBRRQ-NXEZZACHSA-N 220.291 3.660 30 20 BHED CCCCCCC(=O)O[C@@H](C)CC(C)(C)C#N 851213256 PBIFMYHHYBFLOI-LBPRGKRZSA-N 239.359 3.828 30 20 BHED C[C@H](c1ccccc1Cl)N1CCC[C@H](C#N)C1 932159077 UHXGNHQDESLOCR-VXGBXAGGSA-N 248.757 3.637 30 20 BHED C=CCN(Cc1nc(C)sc1C)C(C)(C)C 1118501004 FGONCMQYAOUAQV-UHFFFAOYSA-N 238.400 3.546 30 20 BHED CSc1ccccc1C(C)=NOCC(C)C 1321349837 LENDSEGYESGGMV-UHFFFAOYSA-N 237.368 3.805 30 20 BHED CC(C)(C)ON=C1CCCCc2ccc(N)cc21 1331540298 FBZMRDHCPSXIKU-UHFFFAOYSA-N 246.354 3.514 30 20 BHED C=CC[C@H](S[C@@H](C)c1cccs1)C(=O)O 1588759192 QYJKURQFKSCMGF-WPRPVWTQSA-N 242.365 3.572 30 20 BHED N#Cc1ccc(C(=O)/C=C\c2cccs2)cc1 33676305 JHOFCWRSECVIIT-FPLPWBNLSA-N 239.299 3.516 30 20 BHED O=C(/C=C/c1cccc(F)c1)c1cccc(F)c1 57435474 CGCFRHMQQKEKKH-BQYQJAHWSA-N 244.240 3.861 30 20 BHED C=CCS[C@H](C)c1ccc(C#N)cc1 118444456 IXUQUKLHBPTSSH-SNVBAGLBSA-N 203.310 3.538 30 20 BHED CCCCCCCCNc1ccnc(Cl)n1 126929434 WXUGDLSUBZIWTK-UHFFFAOYSA-N 241.766 3.902 30 20 BHED CC[C@H]1CCC[C@H](Nc2nccc(C)c2C#N)C1 135081768 XVZYKOOUMSYRBR-STQMWFEESA-N 243.354 3.642 30 20 BHED C=CCCSCc1ncc(C)c(OC)c1C 180391507 OWXPDLMHXQMXHM-UHFFFAOYSA-N 237.368 3.516 30 20 BHED C=CCNc1ccc(Cl)c(OC(F)F)c1 182609168 LSFYMQNRUSHQBV-UHFFFAOYSA-N 233.645 3.539 30 20 BHED CCc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 185723757 NTLVUPKTAHVSLQ-HIFRSBDPSA-N 228.339 3.743 30 20 BHED Cc1ccc(C)c(/C=C\C(=O)c2ccncc2)c1 255012884 YPHCGZYQDVWNED-WAYWQWQTSA-N 237.302 3.595 30 20 BHED CC(C)n1cc(/C=C2\CCCC(C)(C)C2=O)cn1 255055357 IYBFKDFLTRAGDV-MDWZMJQESA-N 246.354 3.627 30 20 BHED C=C(C)CCN1CCC[C@@H]1c1ccc(COC)o1 274791506 BZKRSWSSIJGXOV-CQSZACIVSA-N 249.354 3.529 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 274840956 OLTWFDYVMWEYRL-GFCCVEGCSA-N 248.326 3.520 30 20 BHED C=C(C)CN1C[C@H](c2ccc(F)cc2)C[C@H]1C 303905153 TVFBMUXOTKEKPU-TZMCWYRMSA-N 233.330 3.580 30 20 BHED CCCCCCCSCCCOC 308476665 MDZZPSORHZXWIC-UHFFFAOYSA-N 204.379 3.727 30 20 BHED C=CCCCCN[C@@H](C)CCc1ccc(O)cc1 310919587 QZUIBKCQEYNPJO-AWEZNQCLSA-N 247.382 3.659 30 20 BHED C[C@H]1CCCC[C@@H]1CNc1cccc(CC#N)c1 313412194 RWBIJEHVBHZOQO-DZGCQCFKSA-N 242.366 3.991 30 20 BHED C=CCCSCc1ccc(OC)c(F)c1 339091227 OWTBCIIXYPQOHU-UHFFFAOYSA-N 226.316 3.644 30 20 BHED CC[C@H](CC#N)NC[C@@H](C)CCc1ccccc1 358283321 UGMKFPRTIBRAKH-GOEBONIOSA-N 244.382 3.537 30 20 BHED C=CCOCCCSC[C@H](C)C(F)(F)F 359144360 OGDQDOBRDBPZII-VIFPVBQESA-N 242.306 3.511 30 20 BHED C=CCCCCC[C@H](C)NCC(=C)Cl 379599923 KJTYPRMHAFLIFQ-LBPRGKRZSA-N 215.768 3.854 30 20 BHED N#CCCSC[C@@H]1CCCc2ccccc21 413010314 GAPMHXBFSDGSGC-ZDUSSCGKSA-N 231.364 3.753 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCC[C@H]1C 424608633 AZEUVLNGOKCNBD-OLZOCXBDSA-N 237.387 3.531 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C 425494993 YKQMYHHJGMXSRU-YNEHKIRRSA-N 237.387 3.530 30 20 BHED CCC1CCC(N(C)CC2(C#N)CCC2)CC1 450468922 POZNTESOHWTLKD-UHFFFAOYSA-N 234.387 3.581 30 20 BHED CCc1ccc([C@H](C)NCC2(C#N)CCC2)cc1 450666144 XHTDRBVDUZRRHJ-ZDUSSCGKSA-N 242.366 3.593 30 20 BHED CCC[C@H](C)[C@H](CC)NCc1cccc(C#N)c1 480833055 YBIDZMYSQZJOFY-BBRMVZONSA-N 244.382 3.863 30 20 BHED C=CCN(CC=C)Cc1cc2ccccc2o1 505903050 MIMPWFMNBASOMI-UHFFFAOYSA-N 227.307 3.607 30 20 BHED C=C(C)CCc1noc(/C=C2/CC[C@@H](C)C2)n1 508596642 UJJOQYRFQYYYRJ-ZGSOTFDTSA-N 232.327 3.782 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc2occc2c1 530004839 VXMXBKZXAQSXDE-UHFFFAOYSA-N 243.306 3.974 30 20 BHED C=C(C)CCN1CCc2cccc(F)c2[C@@H]1C 560469074 TZETZKFDAJQUFN-LBPRGKRZSA-N 233.330 3.711 30 20 BHED C=CCCCCSCc1cc(OC)ccn1 581478815 LIYHABUECRZVIC-UHFFFAOYSA-N 237.368 3.680 30 20 BHED C=C(C)CSC[C@@H](OC)c1ccc(F)cc1 600623873 RTTDLYSIOQIGSO-CYBMUJFWSA-N 240.343 3.823 30 20 BHED C=CCCN(C)[C@H](C)CCc1ccccc1 606897163 XPZRMZSMWROXPX-CQSZACIVSA-N 217.356 3.516 30 20 BHED C=C(C)C(C)(C)C(=O)N1C[C@H](CC)CC[C@H]1C 619128961 NUCWSLIHFOQOMX-CHWSQXEVSA-N 237.387 3.626 30 20 BHED C=CCC[C@H](CC)N[C@H](C)c1cnc(C)s1 631706113 BALFACJCTNURAI-PWSUYJOCSA-N 238.400 3.847 30 20 BHED C=CCCC[C@H](C)NC(=O)N(CC)[C@@H](C)CC 664590085 REUVHZASNYQGBH-STQMWFEESA-N 240.391 3.561 30 20 BHED C=CCCc1noc([C@@](C)(F)CCCC)n1 664898661 XWVBEKZQHYFSFY-LBPRGKRZSA-N 226.295 3.563 30 20 BHED CCC#C[C@H](C)N[C@H](C)[C@@H](C)c1ccccc1 680385115 WZHGWTMOTMGFOL-RRFJBIMHSA-N 229.367 3.570 30 20 BHED C=CCCSc1ncc(-c2ccccc2)n1C 739431642 FHESXUGZNURYAN-UHFFFAOYSA-N 244.363 3.755 30 20 BHED C=CC[C@@H](C)NC(=O)[C@@H](CCCCC)C(C)C 755377959 APZRDSKLXWXOMV-KGLIPLIRSA-N 239.403 3.920 30 20 BHED CC(C)CON=C/C=C\c1ccc(F)cc1F 758128083 CVQCRULGTSEFFV-LQQBLGBGSA-N 239.265 3.636 30 20 BHED C[C@H]1CCC[C@@H](C=NNc2cccc(C#N)c2)C1 768356108 VMHDLJGSPHRJOY-GXTWGEPZSA-N 241.338 3.782 30 20 BHED Fc1cccc(Cl)c1NN=C1CCCC1 769826957 LLWZWBUBQVSBBK-UHFFFAOYSA-N 226.682 3.821 30 20 BHED C=CC[C@@H](C)[C@H](C)Nc1cccc(OC)c1F 769987292 SMFVQTILBMHUKO-MNOVXSKESA-N 237.318 3.847 30 20 BHED Cc1ccc(CCC=NOC2CCCCC2)cn1 777457252 PQWIQFVIQBJNBK-UHFFFAOYSA-N 246.354 3.658 30 20 BHED CC[C@H](C)NN=Cc1csc2ccccc12 790186903 CSOCXJBIVYMRGX-JTQLQIEISA-N 232.352 3.623 30 20 BHED CC[C@H](C)NN=Cc1c[nH]c2cc(Cl)ccc12 790187179 DRSANZFXGAQXMR-VIFPVBQESA-N 249.745 3.543 30 20 BHED CC[C@@H](C)CON=C(C)c1ccc2c(c1)COC2 793145013 GYUVBYMBKNVTMD-LLVKDONJSA-N 247.338 3.504 30 20 BHED C=CCCCCCCN[C@@H](C)c1cc(C)nn1C 806167725 HAHRIWUPIBNADS-AWEZNQCLSA-N 249.402 3.516 30 20 BHED C[C@@H]1CCC[C@@H](C=NOC/C=C\Cl)C1 811671735 KEIUBRVLDKVMBI-SDUORISUSA-N 215.724 3.568 30 20 BHED CC(C[C@@H](C)CC(C)C)=NOCCOC(C)C 812239322 RBHIUMFURPOYEJ-ZDUSSCGKSA-N 243.391 3.876 30 20 BHED CC#CCCSCC[C@H]1CC1(Cl)Cl 818156501 IQEMQAHBVDKRKC-VIFPVBQESA-N 237.195 3.717 30 20 BHED C=CCN(C(=O)CCCCC(C)C)C(C)C 837395295 NCXIEMOINTXEQH-UHFFFAOYSA-N 225.376 3.626 30 20 BHED C#CCCCSCc1cc(C)nc(Cl)c1 842176219 KMGVNVWSZMLGEQ-UHFFFAOYSA-N 239.771 3.690 30 20 BHED C[C@H]1CCCC(=NNc2ccc([N+](=O)[O-])cc2)C1 916245236 ZBZNERGYHXZYGD-JTQLQIEISA-N 247.298 3.573 30 20 BHED CC[C@H](NCCCCC1(C#N)CCC1)C1CC1 931021799 JFTHKSCDOFTKBA-AWEZNQCLSA-N 234.387 3.629 30 20 BHED C=CCC[C@@H](C)OC(=O)/C=C(/C)c1ccco1 1347230862 JEBOAHIRDFGJDM-NLYDNYMLSA-N 234.295 3.581 30 20 BHED C=C(C)CCC(=O)N1CCC(CC(C)C)CC1 1358032280 CRSYSHMIIAKWAI-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=C(CC)C(=O)Nc1cccc(C(C)(F)F)c1 1519924347 ZYZGIQNWJGUYFK-UHFFFAOYSA-N 239.265 3.703 30 20 BHED CCC[C@H](CC)Sc1cc(C)c(C#N)cn1 1651036573 HXNIGQVWHNQJPC-LBPRGKRZSA-N 234.368 3.933 30 20 BHED CCCCNc1ccc(C(F)(F)F)cc1C#N 36926901 ZWHIEIZCIGZPGP-UHFFFAOYSA-N 242.244 3.789 30 20 BHED C[C@@H](Nc1ccc(F)cc1)c1cccc(C#N)c1 37210692 CSVUFFGZIBXPMJ-LLVKDONJSA-N 240.281 3.870 30 20 BHED Cc1ccc(C#N)c(NCCC2CCCCC2)n1 43395536 SENWOVHSPVCRKB-UHFFFAOYSA-N 243.354 3.644 30 20 BHED C=CCNc1cccc(Cl)c1Cl 50521799 XUEFZXBNHVOLHX-UHFFFAOYSA-N 202.084 3.591 30 20 BHED N#Cc1ccc(COc2ccc3[nH]ccc3c2)cc1 126506275 UJPYRRGDNDISAH-UHFFFAOYSA-N 248.285 3.619 30 20 BHED CC[C@@H](C#N)S[C@@H](C)c1ccccc1F 127583233 UHRPSNFSPXXIAL-UWVGGRQHSA-N 223.316 3.922 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)c1ccc(OC)cc1 135712697 NSFWPJIRBZHCIZ-OLZOCXBDSA-N 233.355 3.701 30 20 BHED C=C(C)CN[C@@H](C)c1ccc(F)cc1Cl 160643617 ZRRCJZFFXLPKDL-VIFPVBQESA-N 227.710 3.706 30 20 BHED C=CCCCCCN(C)Cc1cnn(C(C)C)c1 179760851 NKWGQLWSKUARPD-UHFFFAOYSA-N 249.402 3.642 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](CC)CC1 188425742 TYYHCLAKUNDUGD-HIFRSBDPSA-N 237.387 3.627 30 20 BHED CC(C)[C@@H](C)SCc1cccc(C#N)c1F 223550987 WZHWUKRMYPFYJX-SNVBAGLBSA-N 237.343 3.975 30 20 BHED C=CCCC[C@H](C)Nc1ccc(C#N)cc1F 302049701 ZVFHVSSVPDVVFP-NSHDSACASA-N 232.302 3.854 30 20 BHED CC#CCSCc1cc(C)ccc1C 303799275 AKURMDBQFZWYCT-UHFFFAOYSA-N 204.338 3.560 30 20 BHED C=CCNc1cccc(Br)c1Cl 306494537 XTARRZAOQGIPRX-UHFFFAOYSA-N 246.535 3.700 30 20 BHED CCC(CC)N[C@H]1CCCc2cc(C#N)ccc21 341759363 UKWLGOCQWJQHAY-INIZCTEOSA-N 242.366 3.714 30 20 BHED C=C(CC)CS[C@H](C)c1nc(C2CC2)no1 358639200 ZUJBJHJJEHEGLD-SECBINFHSA-N 238.356 3.707 30 20 BHED N#Cc1cc(Cl)ccc1N[C@H]1CCC[C@H]1F 378738185 HQEMAJHYWRMUNU-PWSUYJOCSA-N 238.693 3.514 30 20 BHED C=CC[C@H](CC)NCc1ccc(C)c(C)c1 390437953 TZBNKJVNTVTBOW-HNNXBMFYSA-N 217.356 3.748 30 20 BHED C=CCC(C)(C)c1noc(C[C@@H]2CC[C@H]3C[C@H]23)n1 453190212 SVXSRJWFJVXUMC-SRVKXCTJSA-N 246.354 3.512 30 20 BHED CC#CCCN1CCC[C@@H]1c1ccccc1Cl 462320861 SQKGHHNOQQBHLR-OAHLLOKOSA-N 247.769 3.890 30 20 BHED C=C(C)CN(CCC)Cc1ccc(F)cc1 520174151 WLBSGMOABIEYMC-UHFFFAOYSA-N 221.319 3.614 30 20 BHED CC(C)(CC#N)CNc1nccc2ccccc12 528033551 HXOSTDYLJSRFFN-UHFFFAOYSA-N 239.322 3.587 30 20 BHED C=CCCN1CCC[C@H]1c1ccc(OCC)cc1 548101239 BMSGUJCVEXOQGL-INIZCTEOSA-N 245.366 3.798 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)C[C@@H]1CCCO1 557384689 CXVBOWGVZZYBCU-KKUMJFAQSA-N 239.403 3.669 30 20 BHED C=CC[C@H](C)NC(=O)C[C@@H](C)CCC=C(C)C 567938621 BVSWASXNVLOTNI-KBPBESRZSA-N 237.387 3.840 30 20 BHED CC(C)(C)C[C@@H]1C[C@H]1NC1CCC(C)(C#N)CC1 593661347 ZVKZBBONFXULHM-PGOFDVKTSA-N 248.414 3.873 30 20 BHED C=CCC(CC=C)C(=O)N1C[C@H](CC)CC[C@H]1C 619134606 RYVAPKRBTMWUMN-ZIAGYGMSSA-N 249.398 3.792 30 20 BHED CCC(Cc1ccccc1)=NNC1CCCC1 727652064 IBVJDJDWADJXBQ-UHFFFAOYSA-N 230.355 3.527 30 20 BHED Cc1ccc(F)c(C=NOCc2ccccc2)c1 734978493 JXBJHWJQVUDORV-UHFFFAOYSA-N 243.281 3.685 30 20 BHED Cc1cccc(C=NNc2c(F)cccc2F)c1 735615972 ZZXZOJAPRBMZEA-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C=C[C@@H](CC(=O)OCC1CCC1)c1ccccc1 758910230 FYQNTBDLEHSIAY-AWEZNQCLSA-N 244.334 3.690 30 20 BHED C[C@H](/N=C\c1cc(Cl)ccc1O)c1ccc[nH]1 760229021 MMQVRDCWHAOHES-HUUTXYLISA-N 248.713 3.554 30 20 BHED CCON=C(C)c1oc2ccccc2c1CC 767464331 PESAWYUUUQIDGX-UHFFFAOYSA-N 231.295 3.756 30 20 BHED CCC(=NOC)c1ccc(Cl)cc1Cl 767493143 XJWAATAEKAGJJA-UHFFFAOYSA-N 232.110 3.754 30 20 BHED CCC(CC)NN=Cc1cscc1Cl 771883236 GDYMZBYLDJKSGI-UHFFFAOYSA-N 230.764 3.514 30 20 BHED C(/C=C\c1ccco1)=NOC1CCCCC1 777456681 FKFKWRCFYFPSHB-DORBXEORSA-N 219.284 3.628 30 20 BHED Cc1ccc(F)cc1C=NNc1cccc(F)c1 777883170 ROGHYBMZZHFBBQ-UHFFFAOYSA-N 246.260 3.719 30 20 BHED Clc1ccc(NN=C[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 793006735 YILNSHMJLCHDOB-SRVKXCTJSA-N 246.741 3.950 30 20 BHED C#CCC1(c2nc(C3CCC3)no2)CCCCC1 809304062 XWEJOLUGUDSUQV-UHFFFAOYSA-N 244.338 3.562 30 20 BHED CC(C)Oc1cccc(C=NOCCC2CC2)c1 814246242 XTTNWRMQSYCXPC-UHFFFAOYSA-N 247.338 3.624 30 20 BHED C#CCC[C@H](C)OC(=O)[C@@H](CC)c1ccccc1 839035389 XRAKIVAXIYSPPX-ZFWWWQNUSA-N 244.334 3.525 30 20 BHED CCCCCCCCCC(=O)N1C[C@@H]2C[C@H]2C1 862551605 SVGCXWGUOAECBU-KBPBESRZSA-N 237.387 3.605 30 20 BHED CCCCCCCC(=O)N(C)[C@@H](C)CCC 915097213 COOXPXFQSJYWJR-ZDUSSCGKSA-N 227.392 3.994 30 20 BHED CCC(C[C@H](C)CC)=NNc1cc(C)nc(C)n1 915970585 IAWVNATWNAEMLT-SNVBAGLBSA-N 248.374 3.708 30 20 BHED C=C[C@H](CC)CC(=O)Nc1cccc2[nH]ccc12 931494573 YVVMYVDRXKFKKM-LLVKDONJSA-N 242.322 3.709 30 20 BHED C=C(CC)C(=O)N1CCCC[C@@H]1c1ccccc1 1123687365 JAPGULDYXPLGIG-OAHLLOKOSA-N 243.350 3.706 30 20 BHED N#C[C@@H]1CCCN(CCCC2CCCCC2)C1 1207608713 DQBMIKMHBPRZTQ-HNNXBMFYSA-N 234.387 3.582 30 20 BHED COc1cccc([C@H](C)SCC2(C#N)CC2)c1 1307316252 DZSJULJQDTZGIB-NSHDSACASA-N 247.363 3.793 30 20 BHED C=CCS[C@@H]1CCc2c(F)cccc21 1330774761 RHHVBVYKXWDJQL-GFCCVEGCSA-N 208.301 3.732 30 20 BHED Cc1ccc(C#N)c(Nc2cccc(Cl)c2)n1 43399030 XSNZOMZWHXVEJD-UHFFFAOYSA-N 243.697 3.659 30 20 BHED N#CCC[C@H](NC1CCCCC1)c1ccccc1 90665026 WORXXANRPRNMJL-INIZCTEOSA-N 242.366 3.954 30 20 BHED CC(C)(C)CCCC(=O)Nc1ccccc1C#N 103357511 AYFSEHCKJLSMNM-UHFFFAOYSA-N 244.338 3.713 30 20 BHED C=CC[C@@H](C)NC(=O)C[C@H](CC)c1ccccc1 116853599 QMDYUVSTGVDGBT-KGLIPLIRSA-N 245.366 3.651 30 20 BHED C=CCCC(=O)O[C@@H](C)c1cccc(C)c1 121710850 BVHGPWJDQLIYCY-LBPRGKRZSA-N 218.296 3.565 30 20 BHED C=C(Cl)CN[C@@H]1CCC(C)(C)C[C@H]1C 161731342 DYGUIFGIATUUSG-MWLCHTKSSA-N 215.768 3.543 30 20 BHED Cc1ccc(CC[C@H](C)NCCCCC#N)cc1 178640509 KXZRUWFPCAVNFU-HNNXBMFYSA-N 244.382 3.600 30 20 BHED C=CCC1(C(=O)N(C)CC2CCCCC2)CCC1 187962416 SZEIOVDBLSVZRP-UHFFFAOYSA-N 249.398 3.772 30 20 BHED N#Cc1sc(SC2CCCC2)nc1Cl 287085595 ULTGYDMKGWQGBO-UHFFFAOYSA-N 244.772 3.703 30 20 BHED C=CC(C)(C)C(=O)Nc1cc(SC)ccc1C 296240489 ICAYDBYSJAIERL-UHFFFAOYSA-N 249.379 3.868 30 20 BHED CCC(CC)CNc1cc(C)cc(C#N)c1 308110616 WESQKXYXSPLWRZ-UHFFFAOYSA-N 216.328 3.715 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccc(C)c(O)c1C 335233949 UCJFXXPSCGETGJ-UHFFFAOYSA-N 247.338 3.550 30 20 BHED C[C@@]1(NCCCCC#N)CCCc2ccccc21 341710040 VSFUGYGXVLAUNC-MRXNPFEDSA-N 242.366 3.522 30 20 BHED CCC(C)(C)CCSCC1(C#N)CC1 344465773 PMTKNTVQUZMRIG-UHFFFAOYSA-N 211.374 3.850 30 20 BHED C=CCCCNC(C)(C)c1cccc(C)c1 381372965 IWYQRVYEXKOSNR-UHFFFAOYSA-N 217.356 3.786 30 20 BHED Cc1ccc([C@@H](C)NCC(C)(C)CC#N)c(C)c1 414175785 ZRHYSMCNJJOAEY-CQSZACIVSA-N 244.382 3.894 30 20 BHED C=CC[C@@H]1N(Cc2cccnc2)CCCC1(C)C 444788565 WOZNESLPDDUAED-HNNXBMFYSA-N 244.382 3.648 30 20 BHED C=CCCCCN[C@@H](CC)c1ccc(C#N)cc1 447603739 YWJVZGCIESVLEO-INIZCTEOSA-N 242.366 3.955 30 20 BHED C=C(C)CN(CC)C(=O)[C@H]1CCC[C@H]1CCC 448684827 QDYDJYBOEYMLAO-KGLIPLIRSA-N 237.387 3.627 30 20 BHED CC(C)[C@@H](C)SCc1ccc(F)cc1C#N 463224111 WSHPLNIQZYPWGF-SNVBAGLBSA-N 237.343 3.975 30 20 BHED C=CCN(Cc1cc(F)cc(Cl)c1)C1CC1 485702442 BEURHYZUOODVTA-UHFFFAOYSA-N 239.721 3.630 30 20 BHED CCCCCSc1ncc(C#N)cc1Cl 540330287 GLQHIPQQCBBRGX-UHFFFAOYSA-N 240.759 3.889 30 20 BHED C=CCC1(c2nc([C@@H]3C[C@H]3C)no2)CCCC1 582946725 RKJZGLYQIYKFGV-GHMZBOCLSA-N 232.327 3.581 30 20 BHED Cc1ccccc1[C@@H](C)N(CC#N)CC(C)C 585754787 LIVKKGIPCOHNSK-CQSZACIVSA-N 230.355 3.538 30 20 BHED CCc1ccccc1NC(=O)CCCCCC#N 588271968 IRVDXXVEUSSHJI-UHFFFAOYSA-N 244.338 3.662 30 20 BHED Cc1ccccc1[C@H](C)N1CCC[C@](C)(C#N)C1 612162101 ZGSICZMVXHAKFM-GOEBONIOSA-N 242.366 3.682 30 20 BHED C=CCCCN1C[C@H](C(F)(F)F)CC[C@H]1C 679543407 CGQYRVWFTZMAHC-GHMZBOCLSA-N 235.293 3.615 30 20 BHED Cc1cc([C@H](C)N[C@@H](C)CC(C)(C)C#N)c(C)o1 709981976 QDTDLXDYYLIALT-JQWIXIFHSA-N 248.370 3.875 30 20 BHED C#Cc1cccc(N(C)C(=O)CCCCCC)c1 728482376 ICLZHUOSDCUGPQ-UHFFFAOYSA-N 243.350 3.601 30 20 BHED COCCCC(C)=NNc1cc(C)ccc1C 759192856 XYFSICHWALRZQO-UHFFFAOYSA-N 234.343 3.518 30 20 BHED CC[C@@H](NCCC1CCC1)c1ccc(C#N)cc1 774258569 CRFXGCGZHXGWER-MRXNPFEDSA-N 242.366 3.789 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C=C/c1ccccc1 775925616 UUDATHQAKKCERP-XTZCOPOCSA-N 243.350 3.561 30 20 BHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1ccc(C)cc1 797160405 KJVORKNMIAAUKK-SWLSCSKDSA-N 245.322 3.539 30 20 BHED CC1(C)CCC(=NOC/C=C\Cl)CC1 811672062 PBVVXRVFESGOLR-BAQGIRSFSA-N 215.724 3.712 30 20 BHED C[C@@H](C=NOCC1CC1)C1CCCCC1 814941487 ZVNZDYNQSIZDDA-NSHDSACASA-N 209.333 3.615 30 20 BHED CC[C@@H](C#N)Sc1nc(C(C)C)cs1 845329736 CILPHDVWKFWMEZ-QMMMGPOBSA-N 226.370 3.661 30 20 BHED CCCCC=NNc1ccc(F)cc1F 864351638 SZUHWTWFKBNVGG-UHFFFAOYSA-N 212.243 3.553 30 20 BHED C=C/C=C\CCNc1ccccc1O[C@H](C)C#N 902029667 IKWLMOPICQTSSL-DSYXLKISSA-N 242.322 3.522 30 20 BHED Cc1ccc(C)c(NN=Cc2ccsc2)c1 916346068 VALONQGPTMBGAO-UHFFFAOYSA-N 230.336 3.811 30 20 BHED C=CCC(C)(C)C(=O)N1CC[C@H]2CCCC[C@@H]2C1 1324214921 VJNPUQPKNRSPOF-ZIAGYGMSSA-N 249.398 3.627 30 20 BHED CCc1c([C@H](C)S)oc2ccccc12 20476653 KEMGWGYKLQOEBG-QMMMGPOBSA-N 206.310 3.986 30 20 BHED C[C@@H](N(C)c1ccc(C#N)cc1F)C(C)(C)C 42780465 RLECAYUDPUEUJK-SNVBAGLBSA-N 234.318 3.568 30 20 BHED CC(C)[C@@H](C)Sc1ncc(C#N)cc1Cl 78588786 IJZGSKMEYUYPKO-MRVPVSSYSA-N 240.759 3.743 30 20 BHED CC[C@@H](Nc1cccc(C#N)n1)c1cccs1 81595884 JQOCHXCNPAEHIC-LLVKDONJSA-N 243.335 3.578 30 20 BHED C=C(CC)CN[C@@H](CC)c1ccccc1 85058310 CSVDHWMNKWTXLT-AWEZNQCLSA-N 203.329 3.694 30 20 BHED C[C@H](C1CC1)N(CCCC(C)(C)C#N)C1CC1 174818526 LRVWEYJCCFGXFV-GFCCVEGCSA-N 234.387 3.579 30 20 BHED CCCCCC(=O)O[C@H](C)c1ccc(C#N)cc1 175760377 WUDOKWTZDCSOIH-GFCCVEGCSA-N 245.322 3.743 30 20 BHED C=CCCCN(CC)[C@@H](C)c1cccc(O)c1 178373411 OTXQXPZSCAFDBS-ZDUSSCGKSA-N 233.355 3.741 30 20 BHED CCCCCCNc1ccccc1O[C@H](C)C#N 182584307 HCDJCMRXAUQVCX-CYBMUJFWSA-N 246.354 3.970 30 20 BHED CC#CCCCC(=O)N[C@H](CCCC)C1CCC1 185831157 FOCLQDRDFAFTAB-OAHLLOKOSA-N 249.398 3.655 30 20 BHED Cc1ccc(/C=C\C(=O)c2ccc(C#N)cc2)cc1 208016091 SLPVLDHRXYCFMH-FLIBITNWSA-N 247.297 3.763 30 20 BHED C[C@@H](NCC(C)(C)CCC#N)c1cccs1 229672001 WZAQNQWOONRPIG-LLVKDONJSA-N 236.384 3.729 30 20 BHED C=CCCC(=O)N(CCC)Cc1ccc(F)cc1 263660852 JUUAHNAXAQGIGD-UHFFFAOYSA-N 249.329 3.531 30 20 BHED C=CCCCC[C@@H](C)N[C@H](C)C1CCC1 308980935 ICYNJHHXDKLQPW-CHWSQXEVSA-N 209.377 3.900 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccccc1SC 309076193 KPCCDJUJWNCZQH-WDEREUQCSA-N 221.369 3.634 30 20 BHED C=CCNc1nc2c(s1)CCc1ccccc1-2 310263341 GURRDPNYXGMSMF-UHFFFAOYSA-N 242.347 3.507 30 20 BHED C[C@@H]1CCCC[C@@H]1CNc1cccc(CC#N)c1 313412196 RWBIJEHVBHZOQO-UKRRQHHQSA-N 242.366 3.991 30 20 BHED C[C@H]1CCC[C@H](C)N(Cc2ccc(C#N)cc2)C1 353883565 UWPQDHLOJQNXSZ-KBPBESRZSA-N 242.366 3.569 30 20 BHED C=CCCCCCN(C)[C@H](C)c1ncc(C)o1 356970823 ATQCNXGGPBEVCC-CYBMUJFWSA-N 236.359 3.722 30 20 BHED Cc1ccc(C)c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 424135682 ZRQITGVJWLGOLV-QLFBSQMISA-N 242.366 3.646 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)[C@H](C)c1ccccc1 425422285 SAACKDRULQMRKQ-CYBMUJFWSA-N 245.366 3.808 30 20 BHED C=CCNc1ccc(-c2ccncc2)c(C)c1 427418145 AAVYLXFHWVQVGU-UHFFFAOYSA-N 224.307 3.655 30 20 BHED CCSc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 442862090 ZJJLVIPHBLJVDN-YPMHNXCESA-N 246.379 3.903 30 20 BHED CC[C@@H]1CCC[C@H]1CNCC(C)(C)CCC#N 449432300 GSUWKZNVNDKDOQ-KGLIPLIRSA-N 236.403 3.732 30 20 BHED C=C(CC)CN[C@H]1CCC[C@@H](c2cccnc2)C1 449736287 UXFIUINLIYPAJP-ZBFHGGJFSA-N 244.382 3.664 30 20 BHED C=CCCCC(=O)N1CCCC(C)(C)[C@H]1CC=C 470293651 TULWASBKCMCBIM-CQSZACIVSA-N 249.398 3.936 30 20 BHED C=C(CC)CSCC1CC(OCC)C1 507123567 ZYRZVUNOVGMGSR-UHFFFAOYSA-N 214.374 3.501 30 20 BHED C=CCCCCCSCc1cnc(C)nc1 507131410 APVFJTVNUWYKHT-UHFFFAOYSA-N 236.384 3.765 30 20 BHED C=C(C)CCNc1cc(F)ccc1OC(F)F 515913922 UKNDGVWSSRNESP-UHFFFAOYSA-N 245.244 3.805 30 20 BHED C=CCCN1CCC[C@H](c2ccccc2)CC1 525328338 PAXFDPXNFZBELH-INIZCTEOSA-N 229.367 3.832 30 20 BHED C=CCN(Cc1cccc(F)c1)C1CCCC1 532653085 KYRKBRSRVROVDB-UHFFFAOYSA-N 233.330 3.756 30 20 BHED C=CC[C@H](CC)NC(=O)C(C1CCC1)C1CCC1 557052683 JWZFTLGFXFHDHJ-AWEZNQCLSA-N 249.398 3.674 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)CC(C)(C)OC 557384815 JALVWMKKCQFSOP-UONOGXRCSA-N 241.419 3.915 30 20 BHED C=CCCCCSC[C@H]1CCC[C@H](O)C1 576015652 IUCZMLSWQOTHFN-STQMWFEESA-N 228.401 3.627 30 20 BHED CC[C@@H](C#N)c1ccc(-c2cnoc2C)cc1 592989416 WBIIDGLUZLMXIF-NSHDSACASA-N 226.279 3.667 30 20 BHED CC#CCN(CCCC)[C@@H](C)c1ccc(C)o1 607727993 OEHDELMSEMNJDB-AWEZNQCLSA-N 233.355 3.774 30 20 BHED C[C@H](Sc1cccc(C#N)c1)c1ccncc1 610722531 QNUVTCWIHMXIQR-NSHDSACASA-N 240.331 3.807 30 20 BHED C=C[C@@](C)(CC)c1nc([C@@H](C)c2ccco2)no1 621795363 HMBDIICLHQUDTQ-HZMBPMFUSA-N 246.310 3.668 30 20 BHED CCC(=NNC(CC)CC)c1cccs1 734366119 FRNYWFZFFICPPW-UHFFFAOYSA-N 224.373 3.640 30 20 BHED CC(=NNc1cc(C)ccn1)c1sccc1C 755900622 MMBSXUQECKIXBA-UHFFFAOYSA-N 245.351 3.596 30 20 BHED CCCC1CCC(=NOCC(F)(F)F)CC1 764836373 SJNMQEXVSGAEQT-UHFFFAOYSA-N 237.265 3.912 30 20 BHED C=CCCCCCCCNC(=O)c1[nH]ccc1C 811590165 RHQKMRNEZKKFLK-UHFFFAOYSA-N 248.370 3.580 30 20 BHED C=CCCC(CCC)=NNC(CC)CC 814851165 HLSOUYWIIQVJQV-UHFFFAOYSA-N 210.365 3.887 30 20 BHED CC1CC(=NOc2ccccc2C(F)(F)F)C1 814888018 OWKNAZGODYEYOB-UHFFFAOYSA-N 243.228 3.870 30 20 BHED Cc1cc([N+](=O)[O-])ccc1NN=CCCC(C)C 814931226 NYCWMTKKFCXGHJ-UHFFFAOYSA-N 249.314 3.737 30 20 BHED C[C@@H]1CCCC1=NNc1ccc(F)c(F)c1F 814945201 PXZNNAKCZJMNQS-SSDOTTSWSA-N 242.244 3.692 30 20 BHED C=C(C)C(C)(C)C(=O)OCC(C)(C)CSC 851170574 XTWNMEYGULHIEM-UHFFFAOYSA-N 244.400 3.521 30 20 BHED C=CC[C@H]1CCCCC1=NNc1cccc(F)n1 853344247 IXFFEQPMAZVHQA-NSHDSACASA-N 247.317 3.755 30 20 BHED C=C(C)CON=C[C@H]1CCC[C@H](C(F)(F)F)C1 853370084 YSPYEOZHHYYQSM-QWRGUYRKSA-N 249.276 3.934 30 20 BHED CC(C)c1ccc(NCC(C)(C)CCC#N)cn1 922587582 YKBXPJKKXXEEBK-UHFFFAOYSA-N 245.370 3.947 30 20 BHED C[C@H](SCCCCC#N)c1cccnc1 1117542180 LFWQCFLDGLQHHS-NSHDSACASA-N 220.341 3.570 30 20 BHED CC(C)=CCC[C@H](C)Nc1cccc(CC#N)n1 1347839818 LQSRFLCCPDSTRS-ZDUSSCGKSA-N 243.354 3.694 30 20 BHED Cc1cccc(C(=O)/C=C/c2cccc(O)c2)c1 3946072 GPJXEEMHEDUKIP-CMDGGOBGSA-N 238.286 3.597 30 20 BHED Cc1cc(Oc2ccnc(C#N)c2)ccc1Cl 61815350 RCCDQMUITUFNBQ-UHFFFAOYSA-N 244.681 3.707 30 20 BHED CC(C)(C#N)CCOc1ccc(F)c(Cl)c1 87596178 AEHQWJRCFKLQOK-UHFFFAOYSA-N 241.693 3.798 30 20 BHED C[C@@H]1CC(NCc2cc(C#N)cs2)C[C@@H](C)C1 93492682 FKBHHGSJHRNHCD-QWRGUYRKSA-N 248.395 3.534 30 20 BHED C=C(C)CN(CC)Cc1ccc2ncccc2c1 158998264 OVDBCVPZBBONLD-UHFFFAOYSA-N 240.350 3.633 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCC[C@H](C)C1 182592677 GDJDLDNLFIOQRM-MELADBBJSA-N 237.387 3.674 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H]1C[C@]1(C)C(C)C 186918974 VTQIWDLGALMODP-GZBFAFLISA-N 237.387 3.530 30 20 BHED C[C@@H]1CCC[C@H](N[C@H](C)c2ccc(C#N)cc2)C1 221775877 FMPNDXVUJQPVBJ-IOASZLSFSA-N 242.366 3.788 30 20 BHED C=C(C)CN(CC)CCCc1cccc(OC)c1 303894038 KPIDFNJELNQHBZ-UHFFFAOYSA-N 247.382 3.526 30 20 BHED Cc1cc(Oc2snc(C)c2C#N)ccc1F 361056023 GUJJSRJYMPIMII-UHFFFAOYSA-N 248.282 3.563 30 20 BHED C=CCC(C)(C)C(=O)N[C@H](CC)[C@H]1CC1(C)C 416080508 LXXCHELIEKKKQY-VXGBXAGGSA-N 237.387 3.530 30 20 BHED N#C[C@@H]1CC[C@H](N[C@@H]2CCCCC23CCCC3)C1 424332883 TXSRFUVFKVYFMV-QLFBSQMISA-N 246.398 3.771 30 20 BHED C[C@@H](c1ccccc1)N(CCC#N)C1CCCC1 425462490 WMHCEJNBIUKHST-AWEZNQCLSA-N 242.366 3.906 30 20 BHED C=CCN(CCC#N)Cc1ccc(C)c(Cl)c1 430099446 FKPYQWRNGPFIDO-UHFFFAOYSA-N 248.757 3.550 30 20 BHED CC[C@@H]1CCC[C@H]1CNC1CCC(C)(C#N)CC1 449435204 VHICAHJKLIMGRP-QVOMUQBLSA-N 248.414 3.875 30 20 BHED C=C(C)CCN1CCC[C@H](Nc2ccccc2)C1 508974359 ALOCIYXUCQHEEH-INIZCTEOSA-N 244.382 3.529 30 20 BHED C=C1CCN(C/C=C/c2ccc(F)cc2F)CC1 543631899 OEPLHHRJNQWYBY-NSCUHMNNSA-N 249.304 3.630 30 20 BHED C=CCC(C)(C)c1noc([C@@H](C)C(C)(F)F)n1 551141360 YEEAYKWZNCMQLY-MRVPVSSYSA-N 244.285 3.682 30 20 BHED C[C@H](NC1(C2CCC2)CC1)c1cccc(C#N)c1 593083703 WHVXEQVBMPRBAH-LBPRGKRZSA-N 240.350 3.542 30 20 BHED C=CCC[C@@H](CCC)N[C@H](C)Cc1ccccn1 655837285 RVLPNECLKFHECJ-HUUCEWRRSA-N 246.398 3.737 30 20 BHED C=CCCCCCN(C)C(=O)C[C@@H](C)C1CC1 739653901 ITLXMOYTEJNOHO-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=CCN(CCCc1cccc(OC)c1)C(C)C 741776827 HEKOGYSKSUINCI-UHFFFAOYSA-N 247.382 3.524 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 754633198 WMQMSRZTDMAKNI-QLFBSQMISA-N 249.398 3.511 30 20 BHED C[C@@H](/N=C\c1cc(Cl)ccc1O)c1ccc[nH]1 760229022 MMQVRDCWHAOHES-KYZBGHIMSA-N 248.713 3.554 30 20 BHED Fc1ccc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)cc1 762408135 AMIWRXCMXYHSQN-SDDRHHMPSA-N 232.302 3.660 30 20 BHED CCC(CC)NN=C1CC[C@@H](C)[C@H](C)C1 767378065 DUIWJPXHUWUVPV-GHMZBOCLSA-N 210.365 3.577 30 20 BHED Cc1ccc(C=NNCCC(C)(C)C)c(C)c1 782903554 XJVORYBEAMXDGI-UHFFFAOYSA-N 232.371 3.663 30 20 BHED CC[C@@H]1CCC[C@H](C=NO[C@H]2CCCCO2)C1 783861541 FBVJBSPUYPSZSR-RDBSUJKOSA-N 239.359 3.732 30 20 BHED C[C@H](C#N)Oc1ccccc1NC1CC(C)(C)C1 788594883 DAPZGZXZOFPHKO-LLVKDONJSA-N 244.338 3.578 30 20 BHED CSCCON=C(C)c1csc(Cl)c1 794571570 CBAVAWRBRSVLME-UHFFFAOYSA-N 249.788 3.505 30 20 BHED CC(C)n1nccc1/C=C1\CCCC(C)(C)C1=O 794941167 JPFJLWFTLQATIE-ZRDIBKRKSA-N 246.354 3.627 30 20 BHED C=CCC[C@H](NC[C@@H]1CCC=CO1)c1ccco1 796947076 HRKJAIIEZNNHFM-KBPBESRZSA-N 247.338 3.569 30 20 BHED C[C@@H]1CCC[C@H](OC(=O)CCCCCC#N)C1 805864063 FOPSYTRKIKFQCW-OLZOCXBDSA-N 237.343 3.582 30 20 BHED C=C[C@@](C)(CC)C(=O)OCc1csc(C)c1 809237406 ZQTFOJUSELHKBR-ZDUSSCGKSA-N 238.352 3.702 30 20 BHED FC(F)C1CCC(=NOCCC2CC2)CC1 814244985 GYRDWVVQOALXRN-UHFFFAOYSA-N 231.286 3.614 30 20 BHED C=C[C@@H](C)ON=C1CC[C@H](c2ccccc2)C1 844621105 UKBPVXVOGMTFII-OCCSQVGLSA-N 229.323 3.901 30 20 BHED C=CC(C)(C)CN[C@H](c1ccccn1)C(C)C 866367326 HUEVCQJTFIWGNZ-AWEZNQCLSA-N 232.371 3.581 30 20 BHED C=CC(C)(C)c1nc(-c2ccccc2Cl)no1 904567510 JHYJQGIWFAVINU-UHFFFAOYSA-N 248.713 3.854 30 20 BHED CCCC(CCC)=NNc1ccc(C#N)cc1 915961267 CVJUDGMFEZLGJB-UHFFFAOYSA-N 229.327 3.926 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cc(-c2ccccc2)no1 925261405 GQNVYIGUPHSPCG-RYUDHWBXSA-N 242.322 3.567 30 20 BHED C#CCNc1ccccc1Oc1ccccc1 49137016 SGUHAFXMDJJYIF-UHFFFAOYSA-N 223.275 3.524 30 20 BHED N#Cc1ccc(N[C@@H](c2ccccc2)C2CC2)nc1 73448366 GHICIGQAAQZRQX-INIZCTEOSA-N 249.317 3.516 30 20 BHED C=C(CC)CN[C@H](C)c1cccc(Cl)c1 85057708 JBCMOLAISDEMEJ-LLVKDONJSA-N 223.747 3.957 30 20 BHED CSC(=Nc1nc2ccccc2o1)SC 114088347 PEVWFQQFUKFJFK-UHFFFAOYSA-N 238.337 3.541 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc(C)c(C)c1 119331073 XRGQOIQJIHJKCQ-OLZOCXBDSA-N 203.329 3.529 30 20 BHED C=C[C@@H](C)N[C@H](C)c1oc2ccccc2c1C 132670080 VFIQKXBYMVBHSZ-ZYHUDNBSSA-N 229.323 3.966 30 20 BHED C#CCCCCNC(=O)[C@H](C)CCCCCC 156304760 FQMIOSHXJWTIST-CQSZACIVSA-N 237.387 3.513 30 20 BHED C=CCCN[C@H](C)c1ccc(OC(F)F)cc1 163910078 NYQWOYOXNZSWGO-SNVBAGLBSA-N 241.281 3.515 30 20 BHED C=CCCCC(=O)Nc1ccc(F)cc1Cl 177459194 FFYMFWANTTZFMN-UHFFFAOYSA-N 241.693 3.774 30 20 BHED Cc1ccc(/C=C/C(=O)c2cncc(C)c2)cc1 184773311 IERYAEFWKAGZJD-BQYQJAHWSA-N 237.302 3.595 30 20 BHED CC#CCCCC(=O)N[C@H]1CCC[C@H]1CCCC 185449697 YFJVPUBBGMELMO-CABCVRRESA-N 249.398 3.655 30 20 BHED C=C(C)[C@H](NCC1CC1)c1ccc(F)c(F)c1 187375645 LFTFAOUEWVVYEF-AWEZNQCLSA-N 237.293 3.582 30 20 BHED Cc1cccc(/C=C\C(=O)c2ccccc2O)c1 214524492 HDDWDDWMOLWPOL-KTKRTIGZSA-N 238.286 3.597 30 20 BHED CCS[C@H]1CCC[C@H]1Nc1ccc(C#N)cc1 224437906 MJZQQDUGVUAGRZ-KGLIPLIRSA-N 246.379 3.644 30 20 BHED C#CCCCN[C@@H](C)CCCCCCC 231881755 RRVMTSKYVNKWGN-AWEZNQCLSA-N 209.377 3.738 30 20 BHED C[C@H](Nc1nccc(C#N)c1Cl)C1CCCC1 235538441 FWJWIGRIXJQWHV-VIFPVBQESA-N 249.745 3.597 30 20 BHED Fc1ccc(CON=Cc2ccccc2F)cc1 255511641 XPWMVSWLCZOMLF-UHFFFAOYSA-N 247.244 3.516 30 20 BHED C=CCCCC(=O)N1CCc2sccc2[C@H]1C 267262789 QNYAFDWKENJWSL-LLVKDONJSA-N 249.379 3.550 30 20 BHED C=CCCN(C)C(=O)C[C@@H](CC)c1ccccc1 276438358 SKMRXVZUHNPIMM-CQSZACIVSA-N 245.366 3.605 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1cccc(CO)c1 305763032 DFWXHYSNWBGFHY-UONOGXRCSA-N 247.382 3.574 30 20 BHED C=CCCOCCN[C@@H](CC)c1cccc(C)c1 310676599 JMSSMKXRFUHYJK-INIZCTEOSA-N 247.382 3.628 30 20 BHED C=CCC[C@@H](CC)N[C@@H]1CCCC[C@H]1F 382232611 PWPOEPJXIZCMQU-JHJVBQTASA-N 213.340 3.602 30 20 BHED N#CCCS[C@H]1CCCc2ccccc21 413016591 WLYIXHILNXICNT-ZDUSSCGKSA-N 217.337 3.711 30 20 BHED C=CCCC(=O)N[C@H](C)c1ccc(C2CC2)cc1 416053339 DAHLMXDVEINKAD-GFCCVEGCSA-N 243.350 3.707 30 20 BHED C[C@@H](F)CCN[C@H](CCCC#N)c1ccccc1 433023044 ZAQHHOGVMYIFEN-UKRRQHHQSA-N 248.345 3.759 30 20 BHED C=C[C@H]1CCCCN1c1nc2ccccc2s1 486460118 APAUIQLEZYZKKQ-NSHDSACASA-N 244.363 3.841 30 20 BHED C=CC[C@@H](C)NCc1ccsc1C(F)(F)F 527659643 CHBNPSNKXMLJIU-MRVPVSSYSA-N 249.301 3.821 30 20 BHED CC[C@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 544431377 XHYHWSWTAKEDON-QWHCGFSZSA-N 249.785 3.716 30 20 BHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)[C@H](C)C1CCCCC1 549545505 XDOSPIIEZDIQHO-TTZDDIAXSA-N 248.414 3.873 30 20 BHED C=CCOCCN(CC)[C@@H](CC)c1ccccc1 549796608 FNKDGIDXQOALNB-INIZCTEOSA-N 247.382 3.662 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H](C)C1CCCCC1 559983947 LFEMWDGZBRGGAY-LBPRGKRZSA-N 237.387 3.674 30 20 BHED CCC[C@@H](CC)Sc1nc(C)ccc1C#N 575942467 KFAHWKDACFNYOU-GFCCVEGCSA-N 234.368 3.933 30 20 BHED C=CCCC1(C(=O)NCC2(C)CCCCC2)CC1 581283113 TWWBHUAZGCRTAN-UHFFFAOYSA-N 249.398 3.819 30 20 BHED C/C=C(/CC)C(=O)O[C@H](C)c1ccc(C#N)cc1 588570047 JBPVOHNTYQCZBJ-NDNQJLCISA-N 243.306 3.519 30 20 BHED CC[C@H](N[C@H](CC)C1CC1)c1ccc(C#N)cc1 595079031 CDEKSNSVVPWWKO-JKSUJKDBSA-N 242.366 3.788 30 20 BHED CCN(Cc1cccc(C(C)C)c1)C[C@@H](C)C#N 595302428 HFOHRMQZHXVSGE-AWEZNQCLSA-N 244.382 3.792 30 20 BHED CC(C)CCN(CCC#N)CC1CCCCC1 610391946 LJFCGONGCHATPO-UHFFFAOYSA-N 236.403 3.828 30 20 BHED CC[C@H](c1ccccc1)N1CCC[C@@](C)(C#N)C1 612164912 IWERSNDORWEMHX-CVEARBPZSA-N 242.366 3.763 30 20 BHED C[C@@]1(C#N)CCCN(CC2CCCCCC2)C1 612405970 FSKPFMFUXDVKKU-HNNXBMFYSA-N 234.387 3.582 30 20 BHED C=CCCC(C)(C)NC(=O)c1cc[nH]c1C(C)C 620857184 QSUPVNKXNXKRCQ-UHFFFAOYSA-N 248.370 3.613 30 20 BHED C=CCCC(C)(C)NC(=O)CCC(C)(C)C 620858693 OVLPWQNZRNDFJE-UHFFFAOYSA-N 225.376 3.674 30 20 BHED C=CC[C@H](C)N[C@@H]1c2ccccc2CC[C@H]1C 678773624 PYEDOZOOTDNBON-WWGRRREGSA-N 229.367 3.864 30 20 BHED C[C@H]1C[C@@H]1c1ccc(C=NNc2ccccc2)o1 732763442 YJMZHMWKQXSCFR-FZMZJTMJSA-N 240.306 3.849 30 20 BHED O=C(/C=C\c1ccc(Cl)nc1)c1ccsc1 748999835 ZCTOKDGSMKYSSZ-IWQZZHSRSA-N 249.722 3.693 30 20 BHED C=C[C@@H](C)NC(=S)Nc1cccc(C(C)C)c1 756797596 ODWFGADYGPEYIQ-LLVKDONJSA-N 248.395 3.671 30 20 BHED CC(C)C(=NNc1cc(Cl)ccn1)C1CC1 777905806 OODPCWRFNBYINM-UHFFFAOYSA-N 237.734 3.569 30 20 BHED C#CCCCCCC(=O)NC[C@@H]1CCCC[C@H]1C 779869093 FSBSYVLKLZRHRP-CABCVRRESA-N 249.398 3.513 30 20 BHED C[C@H]1CCCC[C@@H]1C=NNc1ccc(C#N)cc1 783827985 RXOJOMONFZOGRJ-GXTWGEPZSA-N 241.338 3.782 30 20 BHED Clc1ccc(NN=C2CCC23CCCC3)cn1 788716386 WCRMTBBLZHELHS-UHFFFAOYSA-N 249.745 3.857 30 20 BHED C[C@@H]1CCC(=NN[C@H](C)C(C)(C)C)C[C@H]1C 793117940 YFYQXCXMDRKVMV-IJLUTSLNSA-N 224.392 3.823 30 20 BHED CC[C@@H]1CCC[C@H](C=NNc2cccc(F)n2)C1 795009535 CPJQQSLUMSWYMM-NEPJUHHUSA-N 249.333 3.835 30 20 BHED C=CCC(C)(C)C(=O)OCCC(C)(C)C 796455635 RDTBLVWPQLZOIM-UHFFFAOYSA-N 212.333 3.568 30 20 BHED CCCCCCCCC(=O)N1CCC[C@H]2C[C@@H]21 804293369 LOYYWQVLQLUPEJ-KBPBESRZSA-N 237.387 3.748 30 20 BHED C=C[C@@H](C)ON=CCCc1ccc(OC)cc1C 844625089 LAIACYKKJQUZLE-CYBMUJFWSA-N 247.338 3.513 30 20 BHED CC(CCCC(F)(F)F)=NOCC1CCC1 853440762 HRKYIWXEIQQBEK-UHFFFAOYSA-N 237.265 3.912 30 20 BHED Fc1ccc2c(c1)[C@@H](ON=CC1CC1)CCC2 853734414 DEUVQLMFLLOJCL-AWEZNQCLSA-N 233.286 3.616 30 20 BHED CCCCC[C@H](C)Nc1cccc(CC#N)n1 1324590367 XNQGKXLBAJBFHH-LBPRGKRZSA-N 231.343 3.528 30 20 BHED C=CC[C@H](N)c1cccc(OC2CCCC2)c1 1690154821 UVIJLKYLAQKBKE-HNNXBMFYSA-N 231.339 3.584 30 20 BHED CCN(CCCCC#N)c1ccccc1C 42222646 HXDMUAWRQRYWEH-UHFFFAOYSA-N 216.328 3.515 30 20 BHED C=C(Cl)CN[C@H](C)CCCCCC 42222750 WBZRWRPYVKXVLF-LLVKDONJSA-N 203.757 3.687 30 20 BHED CCC(C#N)(CC)C(=O)Nc1ccc(C)c(C)c1 44765142 GZZLOQVXMRJQOS-UHFFFAOYSA-N 244.338 3.572 30 20 BHED CCN(CCCC#N)[C@H](C)c1ccc(F)cc1 53088401 JSPDYQIGUARWKA-GFCCVEGCSA-N 234.318 3.512 30 20 BHED C=C(C)CN(CC)C(=O)CCC1CCCCC1 57158017 KRKAXARXKJDSDT-UHFFFAOYSA-N 237.387 3.772 30 20 BHED Cc1cccc(COc2ccc(C#N)c(F)c2)c1 113649718 UMHNUKZRABSIFH-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C#CCCCCC(=O)O[C@@H](C)c1cccc(F)c1 120357402 DVHNKQZYYXWAOB-LBPRGKRZSA-N 248.297 3.624 30 20 BHED CC(C)C[C@@H]1CCCCCN1CCCCC#N 120746467 OQXRUEKESIQJOS-HNNXBMFYSA-N 236.403 3.971 30 20 BHED C=CCC[C@H](CC)N[C@@H](C)CC(C)(C)OC 122038664 INQHGAPZPLTSGD-STQMWFEESA-N 227.392 3.524 30 20 BHED C=CCCN(C)Cc1ccccc1C(F)(F)F 132452471 XZXISSYHMIXNCT-UHFFFAOYSA-N 243.272 3.713 30 20 BHED Cc1c(Cl)cccc1NCc1ccc(C#N)o1 157465304 LYPUJUVGTCWKDQ-UHFFFAOYSA-N 246.697 3.725 30 20 BHED CCCCCCC[S@@](=O)c1ccoc1C 189613790 HCDMVXHVBCKVID-OAHLLOKOSA-N 228.357 3.666 30 20 BHED N#CC1(CSc2ccccc2)CCCC1 196804265 ZCMYPVMDZSRKKL-UHFFFAOYSA-N 217.337 3.863 30 20 BHED C[C@@H]1CCCC[C@@H]1CNc1cccc(C#N)c1 227613741 KJXXVMTUBRVIJS-TZMCWYRMSA-N 228.339 3.796 30 20 BHED N#Cc1ccc(/C=C\c2ccccc2Cl)nc1 255774597 SVPDNCHNPUHBNH-VURMDHGXSA-N 240.693 3.777 30 20 BHED Cc1cc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)c(C)s1 274655073 UFGCPSZLDUIPKK-UHTWSYAYSA-N 248.395 3.708 30 20 BHED CSc1ccccc1CN(C)[C@@H](C)CCC#N 298491711 JOHSFMBAISXBPM-LBPRGKRZSA-N 248.395 3.533 30 20 BHED C[C@H](c1ccccc1)N(CCCC#N)C1CC1 299377714 MVDVSVNIUVTVHH-CYBMUJFWSA-N 228.339 3.516 30 20 BHED C#CCCCSc1ccc2ccccc2n1 309188653 HXOOPOPZAJNQMW-UHFFFAOYSA-N 227.332 3.740 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccccc1F 310014560 KINKPHZJAWCFGJ-RYUDHWBXSA-N 221.319 3.831 30 20 BHED C=CCCCCCCNCc1cc(C#N)cs1 310269778 CTVPECMVQLMJTG-UHFFFAOYSA-N 248.395 3.846 30 20 BHED CC1(C)CC[C@H](NC2CCC(C)(C#N)CC2)C1 334651057 FWQQUFNYNOCUAJ-OWYJLGKBSA-N 234.387 3.627 30 20 BHED CC(C)(C#N)CCCSCc1cccnc1 342013617 CVBFBSVULFEDBK-UHFFFAOYSA-N 234.368 3.645 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc(F)cc1C 378784423 JAMCMJGUMQIAPG-NWDGAFQWSA-N 221.319 3.749 30 20 BHED C=CCCCSc1ncccc1Cl 388221320 IIDWGQAETXFACW-UHFFFAOYSA-N 213.733 3.793 30 20 BHED C=CCCCCCSCC(=O)OC(C)(C)C 447297585 YBSKDYLCOOCTCM-UHFFFAOYSA-N 244.400 3.808 30 20 BHED C=C(CC)CNC/C(C)=C\c1ccccc1 449729603 AVRBRSHZTONRLS-UVTDQMKNSA-N 215.340 3.646 30 20 BHED CCCC[C@@H]1CCC[C@H]1NCC1(C#N)CCC1 450731092 XDFMUKODYALGJR-ZIAGYGMSSA-N 234.387 3.629 30 20 BHED CC[C@]1(C(C)C)C[C@H]1NCC(C)(C)CCC#N 453614604 PTSFBUWPNYQTOL-UKRRQHHQSA-N 236.403 3.731 30 20 BHED CC#CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)CC 466418112 VSCQRYBINURDGP-LSDHHAIUSA-N 249.398 3.607 30 20 BHED C=CCC(CC=C)C(=O)NC[C@H]1CCCC[C@@H]1C 467333833 DNZKPLSRYFPPIG-DZGCQCFKSA-N 249.398 3.697 30 20 BHED C=C(C)COc1ccc(OC(F)(F)F)cc1 540040504 UNKMECGNLCXTJP-UHFFFAOYSA-N 232.201 3.540 30 20 BHED C=C(C)CCNc1ccc(C)c(C(C)=O)c1 563820078 BYMABHZIAFTVKY-UHFFFAOYSA-N 217.312 3.576 30 20 BHED C=CCCCc1nc(Cc2ccc(C)s2)no1 578263774 UPKFPWUCUCQXHN-UHFFFAOYSA-N 248.351 3.539 30 20 BHED C=CCCC(=O)Nc1ccc(Cl)cc1Cl 588014331 DMGDLKSCIGDJMK-UHFFFAOYSA-N 244.121 3.898 30 20 BHED C=CCN(Cc1cccs1)C(=O)/C(=C\C)CC 588565405 OGNSHOHGCGIJJQ-XGICHPGQSA-N 249.379 3.619 30 20 BHED C=CCn1cc(-c2ccc(OC(C)C)cc2)cn1 629733283 MUXZFFNKHVYPOW-UHFFFAOYSA-N 242.322 3.523 30 20 BHED C=CC1CCN(C(=O)C(CC)(CC)CC)CC1 675451820 QQRSWCGNMACHKO-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CCCCOC(=O)C[C@H](C)c1ccccc1C 735535729 LCGAIHMLWUSPRN-AWEZNQCLSA-N 246.350 3.998 30 20 BHED Cc1cccc(F)c1CNCC(C)(C)CCC#N 742381425 SVGRVJJJCCRKNE-UHFFFAOYSA-N 248.345 3.554 30 20 BHED CCCCCCCN(CCC#N)Cc1ccco1 747960769 IVXKZYAXSZNJSR-UHFFFAOYSA-N 248.370 3.966 30 20 BHED C#CCCCNc1ccccc1OC1CCCC1 766722646 DEFDEIWSCNBFBL-UHFFFAOYSA-N 243.350 3.833 30 20 BHED CC1(C)CCCC1=NN[C@@H]1CCCC1(C)C 782287152 KGYMYVKUWCFLFZ-LLVKDONJSA-N 222.376 3.721 30 20 BHED C[C@@H]1CCCC[C@@H]1C=NNc1ccc(C#N)cc1 783827995 RXOJOMONFZOGRJ-TZMCWYRMSA-N 241.338 3.782 30 20 BHED CC/C(C)=C(/C)C(=O)OCCCC(C)(C)C#N 784612115 FLAWSEXBHSAJMX-QXMHVHEDSA-N 237.343 3.606 30 20 BHED C[C@@H]1CC(=NN[C@@H](C)C(C)(C)C)C[C@@H](C)C1 793111799 LWTSBTYSAXGIFZ-SRVKXCTJSA-N 224.392 3.823 30 20 BHED CC[C@H](C)CON=C1CCC[C@@H]1CCF 793164768 YIKNEBNRCSICMC-WDEREUQCSA-N 215.312 3.565 30 20 BHED CCC(=NNc1ncccc1F)C1CCCC1 834977080 FVEMFCHAOPDIFC-UHFFFAOYSA-N 235.306 3.589 30 20 BHED C=CC[C@H](N[C@H](CC)[C@@H]1C[C@H]1C)c1ccncc1 840723189 OBLFORBVVHARBW-MIGQKNRLSA-N 244.382 3.723 30 20 BHED CCSCCSc1ccc(C#N)c(C)c1 842633010 PEEIKIFDAUHRMX-UHFFFAOYSA-N 237.393 3.712 30 20 BHED CC(=NN[C@H](C)c1ccccc1)c1ccccc1 920385366 BGFFXACFSLSAQR-CYBMUJFWSA-N 238.334 3.761 30 20 BHED CC(C)(C)ON=Cc1cnc(C(C)(C)C)s1 1253788175 ADQYSMDGJSJJEE-UHFFFAOYSA-N 240.372 3.590 30 20 BHED Cc1ccc([C@H](C)C=NOC(C)(C)C)cc1 1329109960 DMGLUDMCMLENKS-GFCCVEGCSA-N 219.328 3.899 30 20 BHED N#Cc1cccc(CNc2ccc3c(c2)CCC3)c1 19913760 RKVSUWBBXBJIFW-UHFFFAOYSA-N 248.329 3.659 30 20 BHED N#CCCOc1ccc(Cl)c2ccccc12 35055519 IPOIFRBXVVHESM-UHFFFAOYSA-N 231.682 3.786 30 20 BHED CCCCN(CCCC)CCC(C)(C)C#N 87595130 ZTDKEMGICOWTMI-UHFFFAOYSA-N 224.392 3.828 30 20 BHED C[C@@H]1CCC[C@@H](N(C)c2cccc(F)c2C#N)C1 88263517 AUEGVPKAVGDMOX-VXGBXAGGSA-N 246.329 3.712 30 20 BHED Cc1ccc([C@@H]2[C@H](C)CCCN2CCC#N)cc1 157694767 TWSINNPWIAAHTA-ZBFHGGJFSA-N 242.366 3.682 30 20 BHED C[C@H]1CC[C@@H](C)N1Cc1ccc(Cl)cc1C#N 187158210 YZONMXRUSVYKHG-PHIMTYICSA-N 248.757 3.584 30 20 BHED C=C[C@@](C)(CC)c1nc(-c2ccccc2)no1 191152317 HBKBETHWEWRWFX-AWEZNQCLSA-N 228.295 3.590 30 20 BHED C#CCCCC(=O)Nc1c(CC)cccc1CC 192050979 QYENOLJYTREBPA-UHFFFAOYSA-N 243.350 3.553 30 20 BHED CCC[C@H](C)CC(=O)Nc1cc(C#N)ccc1C 195277961 ILNYSZFSKSICDS-NSHDSACASA-N 244.338 3.632 30 20 BHED C[C@H]1CCCN(CCCCC(C)(C)C#N)[C@@H]1C 235542293 MHRFEILMSODAKB-UONOGXRCSA-N 236.403 3.827 30 20 BHED C=CCCC(=O)N[C@@H](c1ccccc1C)C1CC1 264860287 NLNIVIJKNFSCMV-MRXNPFEDSA-N 243.350 3.529 30 20 BHED C[C@@H](CCC1CC1)Nc1ccc(Cl)c(C#N)n1 302225612 RPTOLBKIHGYQKR-VIFPVBQESA-N 249.745 3.597 30 20 BHED C[C@@H]1CCC[C@H](COc2cccc(F)c2C#N)C1 305990944 SVTCIGCBIBIOIK-NEPJUHHUSA-N 247.313 3.902 30 20 BHED C=CCCN[C@H](CC)c1cccc(C)c1 308874260 NONJLCAHOVETSQ-CQSZACIVSA-N 203.329 3.612 30 20 BHED C=CCC[C@H](CC)NCC(CC)(CC)OC 309997384 CKOOKCLPICJMPN-ZDUSSCGKSA-N 227.392 3.526 30 20 BHED C[C@@H]1CCC[C@H](Nc2cccc(CC#N)c2)C1 313427934 NQFZUPJLRVNTRI-OCCSQVGLSA-N 228.339 3.743 30 20 BHED CC(C)(C)CCN(CCC#N)CC(C)(C)C 341888406 JPTWFBIQBQNVPT-UHFFFAOYSA-N 224.392 3.684 30 20 BHED Cc1cc([C@@H](C)NCCCCC#N)cc(C)c1F 341946839 RNFVCIGOPYXVME-CYBMUJFWSA-N 248.345 3.787 30 20 BHED CC[C@H](NCc1cc(C#N)cs1)C1CCCC1 382788049 MXFVWWRXVOEGAE-AWEZNQCLSA-N 248.395 3.678 30 20 BHED CCC[C@@H](NCC1(C#N)CCC1)C1CCCC1 418143122 OXQJMAMGOADNMT-CQSZACIVSA-N 234.387 3.629 30 20 BHED CC1(C)CCCN(CCC2CCCC2)[C@@H]1C#N 444725580 BDAQFPLYYOYXAR-CQSZACIVSA-N 234.387 3.581 30 20 BHED C=CCCCCNC(=O)C1(CC(C)C)CCC1 471712679 DMVITZJYSIKSPX-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCN1CCC[C@@H](c2ccc(F)cc2)CC1 481394209 UNHGCWXIJMJTIH-CYBMUJFWSA-N 233.330 3.581 30 20 BHED C=CCCCCCSC[C@H]1CCOC1 485564965 AHVJRMJTAONZDB-LBPRGKRZSA-N 214.374 3.503 30 20 BHED CC(C)(C#N)CCN1CCCc2c(F)cccc21 540687724 OMUWXYSKUPLHKY-UHFFFAOYSA-N 246.329 3.518 30 20 BHED C=CCCCCCN1CCCc2occc2C1 568796354 WRTQRCOGFDQEAB-UHFFFAOYSA-N 233.355 3.774 30 20 BHED C[C@@H]1CCCC[C@@H]1Sc1cc(C#N)ccn1 600521016 SMOMLHHRTKLMDU-PWSUYJOCSA-N 232.352 3.624 30 20 BHED N#C[C@H](Sc1ccc(F)c(Cl)c1)C1CC1 601071811 AENCOKZSQNMEHV-NSHDSACASA-N 241.718 3.873 30 20 BHED C=CCC1(C(=O)N[C@@H]2C[C@H]2CC(C)(C)C)CCC1 650390245 SPMFGVBRYUMJSE-QWHCGFSZSA-N 249.398 3.674 30 20 BHED C=C(C)COC(=O)C[C@H](CC)c1ccccc1 729017652 QBEQOKYAHIAPFL-ZDUSSCGKSA-N 232.323 3.690 30 20 BHED C=CCCOC(=O)[C@@H](CC(C)C)c1ccccc1 741051426 PWFKNYZJKVMDLD-HNNXBMFYSA-N 246.350 3.936 30 20 BHED CC[C@@H](C)C=NNc1ccc2ccccc2n1 755488832 RARFRIUXLQAFGR-LLVKDONJSA-N 227.311 3.679 30 20 BHED CCCC(Cc1ccccc1)=NOCC(F)F 758909448 DLUXSPIKZNLMMN-UHFFFAOYSA-N 241.281 3.667 30 20 BHED C=CC[C@@H](C)[C@@H](C)Nc1cccc(OC)c1F 769987290 SMFVQTILBMHUKO-GHMZBOCLSA-N 237.318 3.847 30 20 BHED C[C@H]1CCC[C@@H](C=NOCCC(F)(F)F)C1 777459326 ILTMIPHUECWXAR-VHSXEESVSA-N 237.265 3.768 30 20 BHED C/C=C(\CC)C(=O)O[C@@H](C)c1cccc(C#N)c1 789368400 ZBWVXZPEDLZDHN-XMCXJYRPSA-N 243.306 3.519 30 20 BHED C=CCC(C)(C)C(=O)Oc1cccc(Cl)c1 796713118 PSJDFVLEXBFNHR-UHFFFAOYSA-N 238.714 3.848 30 20 BHED CC[C@@H]1CC[C@@H]1Nc1ccccc1O[C@H](C)C#N 806158355 LBORLPQZUROIGQ-UPJWGTAASA-N 244.338 3.578 30 20 BHED C1CCC(CNN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)C1 808006990 KGHBVTXYGWFKRR-QPSCCSFWSA-N 246.398 3.578 30 20 BHED CC[C@@H]1CC[C@H](C)CC1=NOCC1CC1 814244014 XQWBVQQHNGTRNE-CMPLNLGQSA-N 209.333 3.615 30 20 BHED Cc1ccc(F)c(NN=C2CC[C@@H](C)C2)c1 814872291 JJQAQQHDPXJKTF-SECBINFHSA-N 220.291 3.722 30 20 BHED N#CCc1cccc(NCC2CCCCCC2)n1 828822862 RBMVSYBWSAUKSJ-UHFFFAOYSA-N 243.354 3.530 30 20 BHED CCCNN=CC[C@@H](C)CCC=C(C)C 915965196 AYDYWSQVCQQJRE-ZDUSSCGKSA-N 210.365 3.744 30 20 BHED C[C@@H](c1cccc(Cl)c1)N1CCC[C@@H](C#N)C1 932157442 IZKRSOACHFYBBI-RYUDHWBXSA-N 248.757 3.637 30 20 BHED C=CC[C@@H]1CC[C@@H](Nc2cccc(C(=O)O)c2)C1 1602851658 SQGBEIANNHCBAT-BXUZGUMPSA-N 245.322 3.542 30 20 BHED CC[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1 37031639 HMFWXAMLLPABIU-CVEARBPZSA-N 242.366 3.617 30 20 BHED Cc1ccc(CNc2ccc(C#N)cc2F)cc1 37412596 YQZJQEKMQUJASQ-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CCCCCCNc1ccc(C#N)cc1F 60355725 LREYEGPMHGCUQM-UHFFFAOYSA-N 220.291 3.690 30 20 BHED CC(C)[C@@H](NCC#N)c1ccc(C(C)(C)C)cc1 78515948 VNHNUXHSQGDEIB-OAHLLOKOSA-N 244.382 3.794 30 20 BHED CC(C)C[C@@H]1CCN(CC(C)(C)CCC#N)C1 93338615 MTXOOZAMLORWPO-AWEZNQCLSA-N 236.403 3.684 30 20 BHED N#C[C@@H](Sc1ccc(O)cc1)C1CCCCC1 115187395 KOMSOEAWRXTNIP-CQSZACIVSA-N 247.363 3.957 30 20 BHED Cc1ccnc(N[C@H]2CCCC(C)(C)C2)c1C#N 124893688 RGXFSOOCLAYCIU-LBPRGKRZSA-N 243.354 3.642 30 20 BHED CC(C)=CCC[C@@H](C)NCc1cccc(C#N)c1 151375419 GMUHBPWSHIGJGU-CQSZACIVSA-N 242.366 3.783 30 20 BHED C#CCCCCNC(=O)C[C@H](C)C1CCCCC1 156632404 XPJPFSDMBASSLU-AWEZNQCLSA-N 249.398 3.513 30 20 BHED C[C@H](NCCC(C)(C)C)c1cccc(C#N)c1 163951298 HUHUZTOHAMWKQT-LBPRGKRZSA-N 230.355 3.645 30 20 BHED Cc1ccc(SCCCC(C)(C)C#N)nc1 177250669 MFZDZEFZQXYVJF-UHFFFAOYSA-N 234.368 3.812 30 20 BHED C=CCCCC(=O)Oc1ccccc1Cl 177484583 JCPMOOUBCGTZHS-UHFFFAOYSA-N 224.687 3.602 30 20 BHED CC#CCCCC(=O)N(CC)[C@H]1CCCC[C@@H]1C 185641626 DXDWRASNGOFZMN-GJZGRUSLSA-N 249.398 3.607 30 20 BHED CC#CCCCC(=O)N1CCC[C@@H]1CCC(C)C 185889279 ZWRRSZIJEHSCOC-OAHLLOKOSA-N 249.398 3.607 30 20 BHED C=C[C@@H](C)NC1CC(c2ccccc2Cl)C1 229323518 AEOOOGXENMVEFM-VOMCLLRMSA-N 235.758 3.750 30 20 BHED C[C@H]1CCC[C@@H](C)[C@@H]1NCc1cc(C#N)cs1 246174754 JPAJXTAFCFVNAU-YABSGUDNSA-N 248.395 3.534 30 20 BHED N#Cc1csc(/C=C\C(=O)c2cccs2)c1 255771035 KSIQYBXIPYKDJA-ARJAWSKDSA-N 245.328 3.577 30 20 BHED N#C[C@@H]1CC[C@@H](SC2=Nc3ccccc3C2)C1 278683560 YSAJAJZLNZNBHY-ZYHUDNBSSA-N 242.347 3.698 30 20 BHED C=CCCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1 286372419 FFCUHOSNPPMXRB-HIFRSBDPSA-N 243.350 3.562 30 20 BHED N#Cc1cc(NCCC(F)(F)F)ccc1Cl 309599720 WCCGWOBOCMFKAL-UHFFFAOYSA-N 248.635 3.576 30 20 BHED CCCCCCCN[C@H]1CCC[C@H](C#N)C1 310021675 NQCNHTGBYNJMDZ-KBPBESRZSA-N 222.376 3.629 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)Cc1ccc(F)cc1 393805868 WNSSLRLSBOEQFE-SWLSCSKDSA-N 235.346 3.701 30 20 BHED Cc1ccc(CSCC2(C#N)CC2)c(C)c1 419611178 BLEXEVDIKFEBPF-UHFFFAOYSA-N 231.364 3.840 30 20 BHED C=CCN(CCC#N)CC[C@@H]1CCC[C@@H](C)C1 428864776 VAXQNYDZTLMKOH-CABCVRRESA-N 234.387 3.604 30 20 BHED C=CCCCC[C@H](C)Nc1cccc(CO)c1 449272653 WRZXGUJDXWSDGB-ZDUSSCGKSA-N 233.355 3.726 30 20 BHED C=CC[C@@H](C)[C@H](C)N[C@@H]1CCCC[C@H]1OCC 449757259 CWYUQYALBNYVGB-LXTVHRRPSA-N 239.403 3.524 30 20 BHED C=CCCCCNC(=O)[C@@H](CC)CC(C)C 450699182 XIJLNJORRRBYRJ-ZDUSSCGKSA-N 225.376 3.531 30 20 BHED C=CC(C)(C)CNC(=O)c1sccc1C1CC1 452778613 YGROMEPJBICSRS-UHFFFAOYSA-N 249.379 3.568 30 20 BHED CC(C)[C@@H]1C[C@H]1CN[C@@H](C)c1cccc(C#N)c1 453373211 WXKQYEFYOILWJF-RCBQFDQVSA-N 242.366 3.501 30 20 BHED C=CCCCCNC(=O)c1coc2ccccc12 471682251 GOGMYTWGDGSLRN-UHFFFAOYSA-N 243.306 3.519 30 20 BHED C=CCN(Cc1occc1C)c1ccccc1 475137324 RDOMTLBDQVVHJI-UHFFFAOYSA-N 227.307 3.781 30 20 BHED CN(CCC1CCCCC1)CCC(C)(C)C#N 540666238 ANHJQHUXXFICMK-UHFFFAOYSA-N 236.403 3.828 30 20 BHED N#CCC1CCN(CC2CCCCCC2)CC1 540994912 JWPAORGFUGGMFY-UHFFFAOYSA-N 234.387 3.582 30 20 BHED COc1ccccc1[C@H](C)S[C@@H](C#N)C1CC1 601077592 WJLZGACRHYQPBV-HZMBPMFUSA-N 247.363 3.792 30 20 BHED C[C@H](CCC#N)CNc1ccc(Cl)cc1 602494559 ZYWGCLOOFRMZOT-SNVBAGLBSA-N 222.719 3.692 30 20 BHED C[C@H](CCC#N)CN[C@@H]1CC[C@H]2CCCC[C@H]2C1 602512776 NFFWPDIHGVAWID-LVQVYYBASA-N 248.414 3.875 30 20 BHED Cc1cc([C@@H](C)N[C@@H](C)CC(C)(C)C#N)c(C)o1 709981970 QDTDLXDYYLIALT-CMPLNLGQSA-N 248.370 3.875 30 20 BHED CCC(=NNc1cc(F)cc(F)c1)C1CC1 741162239 BOWNHRBMRBHDHQ-UHFFFAOYSA-N 224.254 3.553 30 20 BHED CCCCCCCCNC(=O)N(C)[C@@H](C)CC 755075095 MCBNJLWWXWQLMD-ZDUSSCGKSA-N 242.407 3.787 30 20 BHED CC(=NNc1ccc(C)cc1)c1cnccc1C 771554518 WSBYXHNPVZKHGW-UHFFFAOYSA-N 239.322 3.535 30 20 BHED CCCC[C@@H]1CCCC1=NNCC(C)C 771567602 QLGQQBRYGKIGLE-GFCCVEGCSA-N 210.365 3.578 30 20 BHED CCCCCCCCN[C@H](C)c1c[nH]nc1C 779088544 RZYJOPVXHLUUKX-GFCCVEGCSA-N 237.391 3.729 30 20 BHED CC(C)C(=NN=c1cc[nH]cc1)C1CCCCC1 779811972 NWCWMTRPGJPMKV-UHFFFAOYSA-N 245.370 3.508 30 20 BHED C(=NOC1CCCCC1)c1cc2ccccc2[nH]1 788440743 JUFCIAPCRARDLK-UHFFFAOYSA-N 242.322 3.851 30 20 BHED C[C@@H](NN=C1CCC[C@@H]1CCCF)C(C)(C)C 793113526 GAFBBFWZIGLHNH-VXGBXAGGSA-N 242.382 3.916 30 20 BHED CC(C)CNN=C1CC[C@@H](Cc2ccccc2)C1 814892136 LPSKEJSLFVQBKM-HNNXBMFYSA-N 244.382 3.631 30 20 BHED CCOc1ccc(NN=C(C)CC2CC2)cc1 814984667 SRWOMADBNXLVLU-UHFFFAOYSA-N 232.327 3.673 30 20 BHED C=CCCCCCCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 831993948 YHXNNBHSWIGZAL-QLFBSQMISA-N 249.398 3.675 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc2c(c1)CCCO2 850444858 WGDVHNUFTWCPLJ-QWHCGFSZSA-N 245.366 3.627 30 20 BHED CCCC[C@H](C)C(=O)O[C@@H](C)CC(C)(C)C#N 851204111 JSKOVMGDBOZFIB-RYUDHWBXSA-N 239.359 3.684 30 20 BHED Cc1ccc(NN=Cc2ccco2)cc1Cl 1084192444 LWFCZXSCBPDMFV-UHFFFAOYSA-N 234.686 3.687 30 20 BHED Cc1c(F)cccc1NCc1cccc(C#N)c1 43319436 HVQKXYOZCWJVSV-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CC(C)(C#N)CCCSc1ccc(O)cc1 83642183 FVQCEISINMTNCC-UHFFFAOYSA-N 235.352 3.814 30 20 BHED C#Cc1cccc(NC(=O)C2(CC)CCCC2)c1 94908547 GCSIDYOFFGDAIF-UHFFFAOYSA-N 241.334 3.577 30 20 BHED C=CC[C@H](C)NCc1ccc(OCCC)cc1 116927469 JKAUCZYJJYWCTH-ZDUSSCGKSA-N 233.355 3.530 30 20 BHED C=CCC[C@@H](CCC)N[C@H]1CCCSC1 159654597 VHAWKSWCOREYCS-OLZOCXBDSA-N 227.417 3.607 30 20 BHED C=CCCN[C@@H](CC)c1ccc(C)cc1 162156980 KFTLHEHYZRHNTK-AWEZNQCLSA-N 203.329 3.612 30 20 BHED Cc1ccc(C(C)(C)CN(C)CCCC#N)cc1 173963286 PGBDAOHYUXKCAO-UHFFFAOYSA-N 244.382 3.508 30 20 BHED C=CCCCC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 176411304 XPRWLJDIAYARIU-KGLIPLIRSA-N 245.366 3.651 30 20 BHED N#CCN[C@H](c1ccc(Cl)cc1)C1CCCC1 182535945 HUPAPTVBODQTOM-AWEZNQCLSA-N 248.757 3.684 30 20 BHED CCCCCCNc1ccccc1O[C@@H](C)C#N 182584289 HCDJCMRXAUQVCX-ZDUSSCGKSA-N 246.354 3.970 30 20 BHED CC(C)C[C@H](C)Nc1cc(F)cc(C#N)c1 227607693 XGWMXNSBVQMAJO-JTQLQIEISA-N 220.291 3.544 30 20 BHED CC[C@H]1CCC[C@H](NCC(C)(C)CCC#N)C1 229696806 BYAIYEWEUHYLGD-KBPBESRZSA-N 236.403 3.875 30 20 BHED C=CCCC[C@H](C)Nc1nccc2occc12 342793185 YMANHGMDJIMHDQ-NSHDSACASA-N 230.311 3.985 30 20 BHED C=CCC[C@H](NC[C@@H](CC)OC)c1ccccc1 353548299 LPAITTZKDBGECE-CVEARBPZSA-N 247.382 3.709 30 20 BHED C/C(=C/Cl)CSCCCSCC#N 379385342 SLCXXVMHQFWXDL-CLFYSBASSA-N 235.805 3.509 30 20 BHED CC[C@@H](C)CN(Cc1ccc(C#N)cc1)C(C)C 409445345 ONKDDCCVJQGIMG-CQSZACIVSA-N 244.382 3.815 30 20 BHED CC1=CCCN(CCC2(C#N)CCCCC2)C1 411675881 QTWXNFNPNDSLSE-UHFFFAOYSA-N 232.371 3.503 30 20 BHED Cc1ccc2cc([C@H](C)NCCCC#N)oc2c1 426077625 LMVOFLRFBMSRAK-LBPRGKRZSA-N 242.322 3.696 30 20 BHED C=CCN(CCC#N)CCCC1CCCCC1 430108468 SVYOHZFHHHXXLC-UHFFFAOYSA-N 234.387 3.749 30 20 BHED C=CCCc1noc(-c2sccc2C2CC2)n1 453225039 CYQCAQNFHZRXKX-UHFFFAOYSA-N 246.335 3.794 30 20 BHED CC1=CCC[C@@H](C)[C@H]1CNCC(C)(C)CC#N 459730465 MPIYATZSODDWOF-KGLIPLIRSA-N 234.387 3.508 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc(C)cc1OC 460013153 NPPNXADNZLOKMC-UHFFFAOYSA-N 247.338 3.544 30 20 BHED C=CCN(CC/C=C/CC)CCc1ccco1 467177554 VYYOWOSDOKKODB-AATRIKPKSA-N 233.355 3.666 30 20 BHED C=CCCC1(C(=O)N[C@H](C)CCC(C)C)CC1 474413581 JMCRBTOBBLKMHL-CYBMUJFWSA-N 237.387 3.674 30 20 BHED Cc1cc(CN[C@H]2CCCC2(C)C)ccc1C#N 489023238 AWDCYSWOWYWGBL-HNNXBMFYSA-N 242.366 3.535 30 20 BHED C=CCC[C@H](CC)N[C@H]1CC(C)(C)OC1(C)C 495428280 WJLCARVZNUNWJR-STQMWFEESA-N 239.403 3.667 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cccc2cc[nH]c12 525955088 POMOKSTWMYEWJD-HNNXBMFYSA-N 242.322 3.709 30 20 BHED CC(C)(C#N)CCCSC[C@@H]1CCCCO1 532457348 FFKZNOWJZZJAIL-LBPRGKRZSA-N 241.400 3.619 30 20 BHED C=CCC[C@H](C)Nc1cc(C#N)ccc1OCC 543624117 LLJXUNFWUCQRSO-LBPRGKRZSA-N 244.338 3.724 30 20 BHED C=CCN(C/C=C\c1ccc(F)c(F)c1)C1CC1 558406956 WPQAYQXNVSXGTK-ARJAWSKDSA-N 249.304 3.628 30 20 BHED C=CCC(C)(C)c1noc([C@H]2CC=CCC2)n1 560024772 MWCCKHYNKVIHLF-NSHDSACASA-N 232.327 3.747 30 20 BHED CC[C@H](C)CCN[C@H](C)c1ccc(C#N)cc1F 595074666 SSLAXIUYCJMPPY-NWDGAFQWSA-N 248.345 3.784 30 20 BHED N#C[C@@H](Sc1ccc2c(c1)CCC2)C1CC1 601072439 JZIFCPQFHHHEGY-CQSZACIVSA-N 229.348 3.570 30 20 BHED CC(C)N(Cc1ccccc1)C[C@@H](C)CCC#N 602424945 NJVQFDFCYBREKP-HNNXBMFYSA-N 244.382 3.837 30 20 BHED C[C@@H](c1ccccc1)N(C)C[C@H](C)CCC#N 602433975 VEUXVXVQVUAOSB-KGLIPLIRSA-N 230.355 3.619 30 20 BHED CCC1(NC[C@@H](C)CCC#N)CCCCC1 602684543 ZUXQOYCWKFLQGF-ZDUSSCGKSA-N 222.376 3.629 30 20 BHED CCCC[C@@H](CCC)OC(=O)C1(C#N)CCC1 736841378 CEZPORYSHCEMLF-GFCCVEGCSA-N 237.343 3.582 30 20 BHED C=C(Cl)CN(c1ccccc1)C(C)C 755154666 SXLQOWSVSQJXLE-UHFFFAOYSA-N 209.720 3.654 30 20 BHED C[C@H]1CC(C)(C)CC1=NNC1CCCCC1 766028289 AGFJSASXFQBNIU-NSHDSACASA-N 222.376 3.721 30 20 BHED Cc1ccnc(NN=C2CC[C@H](C)[C@H](C)C2)c1 767385372 NABWVAHOYFASTP-NWDGAFQWSA-N 231.343 3.614 30 20 BHED CCCNN=C1C[C@H](c2ccccc2)C1(C)C 768484089 SQDNQCNQEZELER-CYBMUJFWSA-N 230.355 3.556 30 20 BHED CCC(C=NNc1c(C)cccc1F)CC 769841964 XBRSTYLHKJTXLL-UHFFFAOYSA-N 222.307 3.968 30 20 BHED CC(C)C(=NN[C@@H]1CCCCC1(C)C)C1CC1 773122665 CIXBDARBTAVKCG-CYBMUJFWSA-N 236.403 3.967 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H](C)c1ccc(C)o1 775922916 FVTHNQFVJYZPJQ-WCQYABFASA-N 249.354 3.553 30 20 BHED Cc1ccsc1C=NN[C@@H]1CCCC1(C)C 782289365 WWNYRUDDVIRMCU-GFCCVEGCSA-N 236.384 3.559 30 20 BHED CC(C)(C)CC(=NNC1CCCC1)C1CC1 787155684 UCCKNQJBEZIZFZ-UHFFFAOYSA-N 222.376 3.721 30 20 BHED CC[C@H](C)NN=C1CCC(C(C)(C)C)CC1 790187491 BRDAQOWOAJIUIV-PXYINDEMSA-N 224.392 3.967 30 20 BHED C[C@@H](NN=C1CCC(C)(C)CC1)C(C)(C)C 793112126 PZWZRGYZTJNFOM-LLVKDONJSA-N 224.392 3.967 30 20 BHED CC[C@H](C)CON=Cc1c[nH]c2ccccc12 793162687 BNGUZGYFNAHWAG-NSHDSACASA-N 230.311 3.565 30 20 BHED FC(F)C1CCC(=NOC2CCCC2)CC1 799485551 RJSHZROJEZHMKL-UHFFFAOYSA-N 231.286 3.757 30 20 BHED CCCC[C@H](CCC)OC(=O)CCCC#N 812617146 FPJOXEZCEPUKEF-LBPRGKRZSA-N 225.332 3.582 30 20 BHED C=CCCCCC[C@H](C)N[C@@H]1CC[C@H](C#N)C1 818356998 UHXXVEHZBLKTCM-SOUVJXGZSA-N 234.387 3.793 30 20 BHED CCCCC(CC)=NNc1cccc(C)n1 863159702 CCZYWDXBAKEENW-UHFFFAOYSA-N 219.332 3.758 30 20 BHED C=CCCOC(=O)c1ccc2ccccc2c1 918501976 SPOYGQFXBRNQLS-UHFFFAOYSA-N 226.275 3.573 30 20 BHED CCCCCCCNC(=O)c1occ(C)c1C 1118882055 LDJIOXHVVKXETJ-UHFFFAOYSA-N 237.343 3.597 30 20 BHED CC(C)(C)ON=C1CC(c2cccc(F)c2)C1 1319973805 NSDZSYGFSXUPQZ-UHFFFAOYSA-N 235.302 3.874 30 20 BHED C=C(C)CCN(CC)Cc1ccccc1F 1320712039 NLRGMYVFDHXAKA-UHFFFAOYSA-N 221.319 3.614 30 20 BHED C#C[C@@H](CCC)NC(=O)[C@@H](C)CC1CCCCC1 1343566183 GJFHLAYMIRLYKH-ZFWWWQNUSA-N 249.398 3.511 30 20 BHED C=CCC1(c2nnc([C@@H](C)CC)o2)CCCC1 1346662535 JYGXTANOMAUKBW-NSHDSACASA-N 234.343 3.971 30 20 BHED C=C(C)CCC(=O)Nc1c(C)cccc1C 1353598369 IOHGBLZDGIOXNZ-UHFFFAOYSA-N 217.312 3.598 30 20 BHED C=C(Cl)CNC(=O)C(CC(C)C)CC(C)C 1586507568 YXWHJICKMHWAPL-UHFFFAOYSA-N 245.794 3.564 30 20 BHED N#CCCOc1ccc(-c2ccc(C#N)cc2)cc1 5242747 NEFUCOIAJHIGRE-UHFFFAOYSA-N 248.285 3.518 30 20 BHED N#Cc1ccc(NCc2ccsc2)cc1Cl 37393328 WFLXUCUEIPOEGW-UHFFFAOYSA-N 248.738 3.885 30 20 BHED C=C(Cl)CN[C@@H](CC)c1cccs1 49530583 HMQZQUCUZSZWRN-VIFPVBQESA-N 215.749 3.541 30 20 BHED C=CCNc1cccc(C(=O)c2ccccc2)c1 75824447 XMFGXUWVWTWEBW-UHFFFAOYSA-N 237.302 3.516 30 20 BHED C=CC[C@@H](C)NCc1ccc2ccccc2c1 134748163 FNYQMZYZGKKUKS-CYBMUJFWSA-N 225.335 3.894 30 20 BHED Cc1cc(OCc2ccc(C#N)cc2)ccc1F 158871953 HOGAIPSOILNWHF-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=CCCCC(=O)N[C@H](CC)c1ccc(C)cc1 175069360 QFRCBNDICWGRHF-OAHLLOKOSA-N 245.366 3.919 30 20 BHED C=CCCCC(=O)N(C)[C@@H](C)c1ccc(C)cc1 175242020 GGTBYKJWSHXUAQ-AWEZNQCLSA-N 245.366 3.871 30 20 BHED C=C(C)CN[C@@H](C)c1ncc(-c2ccccc2)o1 184865156 FGLGBLUIDZGEJD-LBPRGKRZSA-N 242.322 3.568 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H](C)CCCCC 190090817 HEOBYTFCXQJPOY-TZMCWYRMSA-N 225.376 3.674 30 20 BHED C=CCCCCCS[C@H](C)c1nnc(C)o1 192550490 BHCRIRGPQBQARK-SNVBAGLBSA-N 240.372 3.919 30 20 BHED C[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(C#N)cc2)C1 221775826 FMPNDXVUJQPVBJ-XJKCOSOUSA-N 242.366 3.788 30 20 BHED CC(C)CCSCc1cccc(C#N)c1F 223563513 WNSVYSPCZAIZKT-UHFFFAOYSA-N 237.343 3.977 30 20 BHED Cc1occc1SCc1cccc(C#N)c1F 229513233 AUSYAUGLSKGRBP-UHFFFAOYSA-N 247.294 3.891 30 20 BHED C[C@@H]1CN(CC(C)(C)CCC#N)[C@@H]2CCCC[C@@H]12 248375545 XCJZUTNGRDUACF-QLFBSQMISA-N 248.414 3.827 30 20 BHED Cc1nc(S[C@@H](C#N)C2CCCCC2)[nH]c1C 292571713 FCGMRZPSUAKCDA-LBPRGKRZSA-N 249.383 3.591 30 20 BHED C=CCN(CC=C)[C@H](C)c1nc2ccccc2o1 298018280 ZXQGJXPVWKUQFL-GFCCVEGCSA-N 242.322 3.563 30 20 BHED CCN(CCC#N)Cc1ccc2ccccc2c1 299152923 ZECAFYLVHLWXGG-UHFFFAOYSA-N 238.334 3.575 30 20 BHED C=CCCC[C@@H](C)N[C@@H]1CCC12CCC2 308897175 ZUUGEGSRSDXJDO-CHWSQXEVSA-N 207.361 3.654 30 20 BHED Cl/C=C/CON=Cc1ccc(Cl)s1 388308872 QTJGXAMASGQKSK-GWKRRABKSA-N 236.123 3.505 30 20 BHED C=C(C)CCNc1ccccc1OC(C)C 390603221 BVLCHKSOASHVLF-UHFFFAOYSA-N 219.328 3.852 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H]1CCCC[C@H]1C 424750090 FTZYEDFFNUKVBG-RDBSUJKOSA-N 237.387 3.674 30 20 BHED C=CC(C)(C)CNC/C=C\c1ccc(F)cc1 449487494 YPYDVZBKEZIPIG-WAYWQWQTSA-N 233.330 3.641 30 20 BHED C=C(C)CN(Cc1ccccc1)C(=O)CCCC 470647310 ULHLZZLIQJMCAB-UHFFFAOYSA-N 245.366 3.782 30 20 BHED C=C(C)CN1CCC[C@@H]1Cc1ccc(C)cc1 500211445 ULBMCSGNTJKQHE-MRXNPFEDSA-N 229.367 3.578 30 20 BHED CCCN(Cc1ccc(C#N)cc1)CC1(C)CC1 573659279 PQFXGRSAMXFADG-UHFFFAOYSA-N 242.366 3.570 30 20 BHED C[C@H]1CCCC[C@H]1Sc1cccnc1C#N 600547912 LOERGYLHQGNJHZ-CMPLNLGQSA-N 232.352 3.624 30 20 BHED C[C@@H](c1ccccc1F)N(C)C[C@H](C)CCC#N 602442053 SNIWKZGZBQSFAZ-OLZOCXBDSA-N 248.345 3.758 30 20 BHED CC(C)CN(C[C@H](C)CCC#N)C1CCCC1 602445902 YPCMSEILZSTYKS-CQSZACIVSA-N 236.403 3.827 30 20 BHED C=CCC1(C(=O)N2C[C@H](CC)CC[C@H]2C)CCC1 619135676 ZMEHCGZUECFUEC-ZIAGYGMSSA-N 249.398 3.770 30 20 BHED C=CCCN[C@@H](C)CCc1c[nH]c2ccccc12 631646162 HCSXPBQUNXCLLM-ZDUSSCGKSA-N 242.366 3.655 30 20 BHED C=CCN(C(=O)CCCC[C@@H](C)CC)C1CC1 680220076 CGKBXCVFSMNYQH-ZDUSSCGKSA-N 237.387 3.770 30 20 BHED CC(C)(C)C=NNc1ncccc1C(F)(F)F 755643640 WIWVMRIJIJIMKB-UHFFFAOYSA-N 245.248 3.544 30 20 BHED C#CCN(C(=O)CC(CC)CC)C1CCCCC1 759172360 SGDZIEJATKJDME-UHFFFAOYSA-N 249.398 3.607 30 20 BHED CCCCCCCCN(C)Cc1cccnc1 767470515 SJCYAAUNYHHLJS-UHFFFAOYSA-N 234.387 3.874 30 20 BHED CC1(C)CCC(=NOC2CCCC2)CC1 774596269 AMWJBGIOYWYUFI-UHFFFAOYSA-N 209.333 3.902 30 20 BHED Cc1cc(CSc2nccs2)ccc1C#N 783127118 SCUOUTNZMAJSTF-UHFFFAOYSA-N 246.360 3.616 30 20 BHED CC(C)(C)CC(=NNc1ccccn1)C1CC1 787153557 FMNTXEWAQSOCSQ-UHFFFAOYSA-N 231.343 3.696 30 20 BHED C#CCC1(C(=O)N[C@H](C)CC(C)C)CCCCC1 788234686 NWYNWHWHFZIHKG-CQSZACIVSA-N 249.398 3.511 30 20 BHED O=C(/C=C\c1ccsc1Cl)c1ccco1 790222793 VXQCZNBWOKHIED-ARJAWSKDSA-N 238.695 3.891 30 20 BHED CC(C)Oc1ccc(N[C@@H](C)C(C)C)cc1C#N 792174487 WPJLMWZZNSABPH-LBPRGKRZSA-N 246.354 3.802 30 20 BHED C=CCNN=Cc1cc(-c2ccccc2)cs1 794992842 KNRDYLGRLDNLHO-UHFFFAOYSA-N 242.347 3.525 30 20 BHED CC(C)(C)[C@H]1CC(=NOC/C=C/Cl)CS1 814934092 LIHLJPSXEVZWMA-ALUXPAJGSA-N 247.791 3.663 30 20 BHED COc1cccc2cc(C(C)=NOC(C)C)oc12 835004288 LHCXECZDROXXLN-UHFFFAOYSA-N 247.294 3.590 30 20 BHED CCC(=NNc1cc(Cl)ccn1)[C@@H]1C[C@H]1C 841632155 BYERVHVGZOBLOF-PSASIEDQSA-N 237.734 3.569 30 20 BHED C=C(Cl)CSCCOc1ccccc1F 913396328 ZCPPCDLSRVPPGC-UHFFFAOYSA-N 246.734 3.690 30 20 BHED Cc1cc(N[C@@H]2CCCC(C)(C)C2)ncc1C#N 1612265749 OSTFPCQWTLBBBJ-CYBMUJFWSA-N 243.354 3.642 30 20 BHED C[C@H](CC#N)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 1663172188 ZNHGJARRYSDQJF-MGPQQGTHSA-N 236.403 3.873 30 20 BHED CC1(C)CCN(c2ccc(Cl)cc2C#N)CC1 61821276 MSGBPVKADOAYQV-UHFFFAOYSA-N 248.757 3.838 30 20 BHED C[C@@H]1CCCC[C@H]1CNCc1cc(C#N)cs1 93492542 LDQOGXXDEOQJRU-YPMHNXCESA-N 248.395 3.536 30 20 BHED C#CC(C)(C)NC(=O)CCCCCCCCC 114235522 NLMCVTCHAWAQMX-UHFFFAOYSA-N 237.387 3.655 30 20 BHED C=C(Cl)CN[C@H](CC)c1ccc(C)cc1 135833944 QWGFZIMFRRFLDZ-CYBMUJFWSA-N 223.747 3.788 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc(Cl)cc1 136203417 YADPAERBUIEPSA-VHSXEESVSA-N 209.720 3.565 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@H]2CCC[C@@H]21 150919396 GQDPXSOESBWNJM-HIFRSBDPSA-N 247.382 3.546 30 20 BHED C=C(C)CN(C)C(=O)Nc1ccccc1C(C)C 155229523 UWWSJJCGWLRPEN-UHFFFAOYSA-N 246.354 3.850 30 20 BHED C=C[C@H](C)N[C@H](CC)c1ccc(CC)cc1 157250159 AUXOFFNUNDUMAH-SWLSCSKDSA-N 217.356 3.864 30 20 BHED C=C(Cl)CN[C@H]1CC[C@@H](C)c2ccccc21 161745443 BDGXJPAYENSEFH-YGRLFVJLSA-N 235.758 3.967 30 20 BHED C#CCCCN[C@@H](CC)c1cccc(Cl)c1 173451749 DPGWWNIGTYJXFX-AWEZNQCLSA-N 235.758 3.794 30 20 BHED CC[C@@H](C)CSCc1cc(C#N)ccc1F 229045768 BCIIFZKKWQIWFB-SNVBAGLBSA-N 237.343 3.977 30 20 BHED Fc1ccc(Cl)cc1CON=C1CCC1 276120682 XZNPCKUBHQHBEA-UHFFFAOYSA-N 227.666 3.536 30 20 BHED CC(C)(C#N)CCNC(C)(C)c1ccccc1F 292181460 QNVULTKRYSESMZ-UHFFFAOYSA-N 248.345 3.590 30 20 BHED C=CCC[C@H](C)NCC(=C)c1ccccc1 309574498 OMJIWEPGQBTSMV-AWEZNQCLSA-N 215.340 3.644 30 20 BHED C=CCCCCCCCNCc1cc[nH]c1 390103712 BCBMSEJUERIYGX-UHFFFAOYSA-N 220.360 3.631 30 20 BHED CC(C)[C@H](C)N(C)CC#Cc1ccc(Cl)cc1 426357161 OTQXTZYWIRDMKQ-ZDUSSCGKSA-N 249.785 3.668 30 20 BHED C=CCCN(C)C(=O)C1=C(C)CC(C)(C)CC1 451062348 NNSIRASQECZRRF-UHFFFAOYSA-N 235.371 3.548 30 20 BHED CC#CCCN(CC)Cc1cccc(Cl)c1 462310801 GNNDQLLPEJTQPK-UHFFFAOYSA-N 235.758 3.575 30 20 BHED C[C@@H]1CCC[C@@H](C)N(c2cccc(F)c2C#N)C1 462895072 PUYPBEPUCFITCQ-VXGBXAGGSA-N 246.329 3.712 30 20 BHED C=C[C@](C)(CC)C(=O)NCCC1=CCCCCC1 467923186 QCTJBAWJUZFUEV-MRXNPFEDSA-N 249.398 3.986 30 20 BHED C=C(C)COc1cccc(NC2CC(C)C2)c1 468390728 ZTXNSRFWBXKKDS-UHFFFAOYSA-N 231.339 3.852 30 20 BHED C=CCCCCSCc1nc(C2CC2)no1 568061263 WUBMXCSHWGALSU-UHFFFAOYSA-N 238.356 3.537 30 20 BHED C[C@@H](CCN(C)CC(C)(C)C#N)c1ccccc1 573869546 OHMAYOKAOYULQR-AWEZNQCLSA-N 244.382 3.662 30 20 BHED C=C1CCN([C@@H](CC)c2ccccc2)CC1 594754336 PRLYLSQZHDXLOD-HNNXBMFYSA-N 215.340 3.790 30 20 BHED C=CC[C@H]1CCCC[C@@H]1NCC1(SC)CC1 595054426 NWVPPCGMLZJYQC-STQMWFEESA-N 239.428 3.607 30 20 BHED C=CCCSCCN[C@@H]1CCC12CCCC2 595060995 WXZGONNZAMRVCY-CYBMUJFWSA-N 239.428 3.608 30 20 BHED CC[C@@H](NCCCC#N)c1cc(C)ccc1C 599043150 GLOZASKEEDMCKK-OAHLLOKOSA-N 230.355 3.648 30 20 BHED C=CCCCCCN(C)C(=O)NCCCCC 606918608 KVNXWIHRDLUBQK-UHFFFAOYSA-N 240.391 3.564 30 20 BHED C=CCN(CCc1ccc(F)cc1)CC(C)C 621316528 DEPIZPQCHAQLLC-UHFFFAOYSA-N 235.346 3.512 30 20 BHED CC[C@@H]1CCCC(=NOCc2cccnc2)C1 746588734 RMKXLLBVOVMVMB-GFCCVEGCSA-N 232.327 3.554 30 20 BHED CCCC[C@H]1CCCC1=NO[C@@H]1CCCCO1 755818823 UIGWJCZCZOLCRY-GXTWGEPZSA-N 239.359 3.876 30 20 BHED FC(F)CON=C1CC[C@@H]2CCCC[C@@H]2C1 758912803 YPHZYVYQOJXWDM-VHSXEESVSA-N 231.286 3.614 30 20 BHED C#CCCN(C)C1CCC(C(C)(C)C)CC1 760819766 OPDOCPNJLVRYDW-UHFFFAOYSA-N 221.388 3.546 30 20 BHED C#CCCCCN[C@@H](CC1CC1)c1ccccc1 773039806 YDYXETHTULUSOV-KRWDZBQOSA-N 241.378 3.921 30 20 BHED C=C(CC)COC(=O)[C@@H]1CCCc2ccccc21 773481446 QLLFPCFKTQWWSU-OAHLLOKOSA-N 244.334 3.616 30 20 BHED CC(C)CCC(=NNC1CCCC1)C1CC1 802711802 YLPZXMDYKUPGIJ-UHFFFAOYSA-N 222.376 3.721 30 20 BHED CSc1ccc(C=NNCC2CCCC2)cc1 808007211 VGVGIISCLHSOHO-UHFFFAOYSA-N 248.395 3.522 30 20 BHED C#CCON=C1CCC(C)(c2ccccc2)CC1 812236342 LVGGWQILBJODTQ-UHFFFAOYSA-N 241.334 3.524 30 20 BHED CC(C)CC(CC(C)C)=NOCCOC(C)C 812239347 SBSYKITWXDPDMH-UHFFFAOYSA-N 243.391 3.876 30 20 BHED C(CC1CCCCC1)=Nn1cnc2ccccc21 814778963 CVPMNISPQSUUIY-UHFFFAOYSA-N 241.338 3.841 30 20 BHED CC[C@H](C)NN=C1CCCCC12CCCC2 814913774 VKWHMQWHTOCLCG-LBPRGKRZSA-N 222.376 3.865 30 20 BHED CC(CCCC(F)(F)F)=NOC(C)C 835003714 ZBXVDMBADKUKRI-UHFFFAOYSA-N 211.227 3.520 30 20 BHED C=CCCC(C)(C)NCc1nc(Cl)cs1 877641362 SDIAMHFLRNWMAA-UHFFFAOYSA-N 244.791 3.631 30 20 BHED C=C(Cl)CN1CCC[C@@H]1C1CCCCC1 917067410 GYMMHEZRNHHFDO-CYBMUJFWSA-N 227.779 3.784 30 20 BHED C=C(C)CCNC(=O)[C@H](C)CCCCCC 1117775382 LNHOOULJVDSUNS-CYBMUJFWSA-N 225.376 3.675 30 20 BHED C[C@@H](CCC#N)CNCC1(C)CCCCCC1 1180394532 XFSSYEYJNSZEGZ-AWEZNQCLSA-N 236.403 3.876 30 20 BHED CC1CC(CSc2cccc(F)c2C#N)C1 1189432139 ANQSVJKJOLCJSA-UHFFFAOYSA-N 235.327 3.836 30 20 BHED CC(Cc1ccccc1C)=NOC(C)(C)C 1320326022 VMPUPOQSEHGPGS-UHFFFAOYSA-N 219.328 3.729 30 20 BHED CC(Cc1ccc(C)cc1)=NOC/C=C\Cl 1323949641 VEOBHAAYNBKXSA-XXWJIRBXSA-N 237.730 3.683 30 20 BHED O=C(/C=C/c1cccc(O)c1)C1CCCCC1 7905592 DFZGKWDDKCMMTF-MDZDMXLPSA-N 230.307 3.555 30 20 BHED C=CCC[C@@H](C)N[C@H](C)Cc1ccsc1 126776615 KMNPFCFADYBFLD-VXGBXAGGSA-N 223.385 3.623 30 20 BHED CCCCCCCCNC(=O)N1CCC[C@H]1C 146530905 YDPIURJIXWYLCA-CYBMUJFWSA-N 240.391 3.541 30 20 BHED CCCCCCCCN(C)CC1CCOCC1 155788165 KKUBWLYYPVQERF-UHFFFAOYSA-N 241.419 3.705 30 20 BHED C=C(C)CCN[C@H](CC)c1ccccc1 168052970 PDEKWZNSGBTMDL-CQSZACIVSA-N 203.329 3.694 30 20 BHED CC(C)(C)[C@@H](NCCCC#N)c1cccc(F)c1 181072881 NRZALEXZYAJIFP-AWEZNQCLSA-N 248.345 3.806 30 20 BHED C=CCCC[C@H](C)NC(=O)c1ccc(C)cc1C 182597584 VLJNBSYGIAMDBS-AWEZNQCLSA-N 245.366 3.778 30 20 BHED N#CC1(COC(=O)CCCC2CCCC2)CCC1 183876642 RUJXYUDXBJPWMM-UHFFFAOYSA-N 249.354 3.584 30 20 BHED C=CCN(CC=C)C(=O)c1ccc(C(C)C)s1 185527552 AFQWCHHFNIHWPR-UHFFFAOYSA-N 249.379 3.686 30 20 BHED N#Cc1cccnc1/C=C/c1ccccc1Cl 204120771 CADVICGKCGQZSG-BQYQJAHWSA-N 240.693 3.777 30 20 BHED Cc1cc(C)cc(/C=C\c2ccc(C#N)cn2)c1 255068816 CANZHEIUMJAZGQ-HYXAFXHYSA-N 234.302 3.741 30 20 BHED CCN(CCC#N)[C@@H](C)c1ccc(Cl)cc1 299393662 KFWVNEKMPKCEOS-NSHDSACASA-N 236.746 3.637 30 20 BHED N#Cc1cccc(N[C@H](c2ccccc2)C2CC2)n1 301566634 ZHKDCMGVFCMLRG-MRXNPFEDSA-N 249.317 3.516 30 20 BHED C=CC[C@@H](CC)NC1CCC(C(F)F)CC1 309722191 WJZPNIVLOPIIFW-MOENNCHZSA-N 231.330 3.755 30 20 BHED CCC#C[C@H](C)N[C@@H](C)c1ccccc1Cl 309829067 YBIKZJXOVVYSQY-RYUDHWBXSA-N 235.758 3.793 30 20 BHED C=C(C)CCc1noc([C@@H]2C[C@]2(C)C(C)C)n1 347277548 ZIMQNXCCNKHUGM-SMDDNHRTSA-N 234.343 3.728 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)C(F)(F)F 380085457 HKXQKFNLFHBVJR-ZJUUUORDSA-N 223.282 3.662 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccccc1OC 393753936 GOSDFSZEBIPTNN-QWHCGFSZSA-N 233.355 3.701 30 20 BHED C=CCCC[C@H](C)N[C@H]1CCc2c(O)cccc21 398191035 RLRHEVHZIGKWAR-WFASDCNBSA-N 245.366 3.714 30 20 BHED CC(C)(CC#N)CNc1cccc(Cl)c1C#N 413404104 HXVLTSOXZASWST-UHFFFAOYSA-N 247.729 3.563 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc(SC)cc1 429854986 AWQKVBATGXXTGH-UHFFFAOYSA-N 249.379 3.949 30 20 BHED N#C[C@H]1CC[C@@H](SCC2CCCCC2)C1 430106126 YGJVAYMVKNIDGQ-QWHCGFSZSA-N 223.385 3.992 30 20 BHED C=CCCC(=O)Nc1cc(Cl)cc(F)c1F 441601668 URROUZHGEMROBB-UHFFFAOYSA-N 245.656 3.523 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)C(C)(F)F 449415231 ODFYCAABSGZUDB-WDEREUQCSA-N 219.319 3.755 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@@H](CC)CCCC 464519894 HNVYLMKYSDYGNG-UONOGXRCSA-N 237.387 3.770 30 20 BHED C=CC[C@H](C)NC(=O)N[C@H](CCC)CCCC 483989798 WJRCIVGYFCZMJZ-QWHCGFSZSA-N 240.391 3.609 30 20 BHED C=CCCCCCN(C)C(C1CC1)C1CC1 486672645 MAIYDYXGWODUCV-UHFFFAOYSA-N 221.388 3.853 30 20 BHED C=CC1CCN([C@@H](C)c2cccc(F)c2)CC1 522083376 RFDJJNGLCUJNMN-LBPRGKRZSA-N 233.330 3.785 30 20 BHED C=C1CCN([C@@H](C)c2cc(F)ccc2F)CC1 524677218 FKJLCABVIAGHRI-NSHDSACASA-N 237.293 3.678 30 20 BHED C=CCN(CC(=C)CC)Cc1cccc(C#N)c1 539103099 BMPRGAWEYJLFCH-UHFFFAOYSA-N 240.350 3.512 30 20 BHED N#Cc1ccc(N2C[C@@H]3CCCC[C@@H]32)cc1Cl 596295521 VSUPTOAAFAIKFZ-FZMZJTMJSA-N 246.741 3.590 30 20 BHED C=C(C)CSCc1ncccc1Cl 600621657 BHURVSOCIWZULY-UHFFFAOYSA-N 213.733 3.544 30 20 BHED CCON=C(C)c1ccc(SC(C)C)cc1 728426102 UUJWRFMBNYKCTI-UHFFFAOYSA-N 237.368 3.948 30 20 BHED CCC(=NN[C@@H](C)c1ccccc1)C1CC1 741162479 FLYMPMCNVBIXRI-NSHDSACASA-N 216.328 3.513 30 20 BHED CON=C(C)c1cccc(-c2ccccc2)c1 746489993 MVDHWNHHFHYRHP-UHFFFAOYSA-N 225.291 3.724 30 20 BHED CCCCC(=NOCC(F)F)c1ccccc1 758907498 VRHMEBSDIPBWAU-UHFFFAOYSA-N 241.281 3.863 30 20 BHED CCCCCCCN1CC[C@H](C(F)(F)F)C1 761039822 FQNBAOYTGFAOTL-NSHDSACASA-N 237.309 3.841 30 20 BHED C=CCC[C@H](CC)N[C@@H](C)COc1ccccc1 772950713 PDHIOUVRYLMUID-GJZGRUSLSA-N 247.382 3.788 30 20 BHED CC(C)CC(=NOC1CCCC1)c1ccccn1 774609188 UAFMZYRBIPWPPL-UHFFFAOYSA-N 246.354 3.791 30 20 BHED C=C[C@H]1CCCCN1C(=O)/C=C(\C)C(C)(C)C 785856505 IEMAEAQBBYYOPM-YLSINNKHSA-N 235.371 3.546 30 20 BHED CC[C@H](C)NN=C1CC(c2ccccc2C)C1 790183103 OBAZGZXSHOLSFS-UEWDXFNNSA-N 230.355 3.617 30 20 BHED CCCC[C@H](CC)CSCCO[C@@H](C)C#N 802749633 IOXLGJOZNYYSOB-STQMWFEESA-N 243.416 3.865 30 20 BHED C=CCCCCCCNC(=O)c1oc(C)cc1C 805218519 CGTIXEZJWVPNFR-UHFFFAOYSA-N 249.354 3.763 30 20 BHED CCCC[C@@H](C)C(C)=NNC1CCCC1 807969605 UTTWZPHWSPTXEL-LLVKDONJSA-N 210.365 3.721 30 20 BHED CC(=NOC1CCC1)c1ccc2ccccc2n1 812238087 MULSRBHRKRUSJE-UHFFFAOYSA-N 240.306 3.528 30 20 BHED Cc1sccc1C=NN[C@@H]1CCCC1(C)C 814917753 QGWJYVJQZSMIAX-GFCCVEGCSA-N 236.384 3.559 30 20 BHED CCC(=NOCc1ccc(F)cc1)C1CCC1 834968277 GYUZIQDTVSWOJG-UHFFFAOYSA-N 235.302 3.908 30 20 BHED CC[C@H](C)CC=NNc1nccnc1C1CCC1 834979768 NIQLEERMSKALCH-NSHDSACASA-N 246.358 3.578 30 20 BHED CC(=NOC(C)C)c1cc(C)sc1C 835004269 LBIOYJDADYFENN-UHFFFAOYSA-N 211.330 3.514 30 20 BHED C=C(Cl)CN1CCC(c2ccccc2)CC1 898179605 UADIQOJWHTUOJC-UHFFFAOYSA-N 235.758 3.619 30 20 BHED Clc1cccnc1NN=C1CC2(CCCC2)C1 901170547 PJENGOQKOUTUBN-UHFFFAOYSA-N 249.745 3.857 30 20 BHED Cc1cc(Oc2nccs2)c(C)c(C)c1C#N 1307115447 NRPAQOPGGXGFDC-UHFFFAOYSA-N 244.319 3.732 30 20 BHED N#Cc1ccc(CSCc2ccco2)s1 1613250467 LPSHVANIGAGSSL-UHFFFAOYSA-N 235.333 3.646 30 20 BHED CCSc1ccc(SCC)c(C#N)c1C#N 2088642675 PVKATVPFZJYFGP-UHFFFAOYSA-N 248.376 3.654 30 20 BHED N#Cc1c(F)cccc1Sc1ccc(O)cc1 36427757 OJBLNZBCOXXYBB-UHFFFAOYSA-N 245.278 3.554 30 20 BHED Cc1ccc(C)c(OCCC(C)(C)C#N)c1 57713649 CZXISCJAEPVSBJ-UHFFFAOYSA-N 217.312 3.622 30 20 BHED CN(CCCC(C)(C)C#N)C1CCCCCC1 87608504 AELIXPOSDZCFJS-UHFFFAOYSA-N 236.403 3.971 30 20 BHED Cc1cc(F)cc(NCc2ccc(C#N)cc2)c1 91510549 ZYVCGRIUTOIEHH-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=CCCCN(C)[C@H](C)c1ccc(OC)cc1 117872296 AVXLKFLEUNZFDB-CYBMUJFWSA-N 233.355 3.654 30 20 BHED C=C(C)CNC(=O)CCCCCCCCC 123073036 GBGYAXNXCKSPMP-UHFFFAOYSA-N 225.376 3.819 30 20 BHED C=CCCN[C@H](C)c1ccc(C(F)(F)F)cc1 163895555 MMVAKRUMURSVTF-SNVBAGLBSA-N 243.272 3.932 30 20 BHED C[C@H](CCC#N)Sc1ncc(C(C)(C)C)o1 188326247 ALRWAVWIVTVTBS-SECBINFHSA-N 238.356 3.756 30 20 BHED CCCC[C@H](CCC)Nc1ncccc1C#N 226261414 HKKBSTZPKQQSSM-ZDUSSCGKSA-N 231.343 3.724 30 20 BHED C[C@@H]1CC[C@H](NCc2ccc(C#N)s2)C[C@H]1C 252812420 QCEXOTREXQCVQG-UTUOFQBUSA-N 248.395 3.534 30 20 BHED CCCc1ccc([C@H](C)NCCCC#N)cc1 273173981 COEMLTXZAATHSQ-ZDUSSCGKSA-N 230.355 3.593 30 20 BHED C=C(C)CCNc1ccc2ccoc2c1 308929408 DWOKVPCCPYHEGX-UHFFFAOYSA-N 201.269 3.811 30 20 BHED C=C[C@H](C)N[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 309500703 UVEGNZJZNUYOID-TUAOUCFPSA-N 237.774 3.996 30 20 BHED C=CC[C@H](CC)Nc1nc2ccccc2o1 310005125 GHOJTNPCZDGVPA-JTQLQIEISA-N 216.284 3.594 30 20 BHED CC1CCC(Nc2cccc(CC#N)c2)CC1 313432210 XZIIXFAIQRLCIX-UHFFFAOYSA-N 228.339 3.743 30 20 BHED CC(C)N(CCC#N)CC1CCC(C)(C)CC1 383460916 JFQJLLSCKWCBAV-UHFFFAOYSA-N 236.403 3.827 30 20 BHED C[C@H](SCCC#N)c1nc2ccccc2o1 413010385 GHPNJFNSVJVYIF-VIFPVBQESA-N 232.308 3.536 30 20 BHED C=CCCCSCCCC1CCOCC1 447922522 ARPXASZCGRCODL-UHFFFAOYSA-N 228.401 3.893 30 20 BHED CC#CCCN(CC)[C@H](C)c1ccc(F)cc1 462320890 SWGYDACRKRXUMK-CYBMUJFWSA-N 233.330 3.622 30 20 BHED C=C(C)CN(CC)C(=O)CCCC1CCCC1 463102270 CHENZSXKWGXEPD-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 488825930 OMSPGRAZDURVJS-CBBWQLFWSA-N 249.398 3.626 30 20 BHED C=CCC(C)(C)CNC(=O)C1CCCCCC1 490037435 HKBYARMKXUTMMX-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCC(C)(C)c1noc([C@H]2[C@@H](C3CC3)[C@H]2C)n1 528201542 CBZFBKQQKVPPAG-YUSALJHKSA-N 246.354 3.683 30 20 BHED N#CCCCN1CCC[C@H](C2CCCCC2)C1 595878340 NFOQMFJWLPZGEU-HNNXBMFYSA-N 234.387 3.582 30 20 BHED CCON=Cc1ccc(-c2cccc(F)c2)s1 750933316 ZPOGSGICMNHNEY-UHFFFAOYSA-N 249.310 3.925 30 20 BHED CCC1(C)CCC(=NNc2ccc(F)cn2)CC1 751528976 NLYKVUXEJMDKAM-UHFFFAOYSA-N 249.333 3.979 30 20 BHED C[C@@H]1CC(=NNC2CC2)C[C@H](c2ccccc2)C1 758126747 HWIQEEWLWAWKPP-GXTWGEPZSA-N 242.366 3.698 30 20 BHED CCCCCCCC(=O)N(CC)CCC1CC1 760676997 YYWBGGFHYHEXMD-UHFFFAOYSA-N 239.403 3.996 30 20 BHED CC(C[C@H](C)CC(C)C)=NNc1ccc(C)nn1 779775559 DNFPHKSBMJSRLW-LLVKDONJSA-N 248.374 3.645 30 20 BHED C=C[C@@](C)(CC)C(=O)O[C@H](C)c1ccccc1 784878505 NIVCLPQOMLQVAK-DOMZBBRYSA-N 232.323 3.893 30 20 BHED CCCCC(CC)=NNc1cccc(F)n1 795009273 YXPUBIRNNKVYCI-UHFFFAOYSA-N 223.295 3.589 30 20 BHED CCC(=NOCCC1CC1)c1cccs1 814246237 FSAQNIDHYOACOL-UHFFFAOYSA-N 223.341 3.679 30 20 BHED CC(CC(C)(C)C)=NNCC1CCCC1 834979898 MTLWCYDWFBRFDO-UHFFFAOYSA-N 210.365 3.578 30 20 BHED CC/C(C)=C\C(=O)OCCCCC(C)(C)C#N 838043166 IZEWIPXHINAWFG-BENRWUELSA-N 237.343 3.606 30 20 BHED CCC#C[C@@H](C)SC1=Nc2ccccc2C1 840197281 STRWGQQFVOPDTF-LLVKDONJSA-N 229.348 3.808 30 20 BHED CCC(=NNc1cccc(OC)c1)[C@H]1C[C@@H]1C 841616184 FDOYHHLVZQXTQR-GWCFXTLKSA-N 232.327 3.529 30 20 BHED CCCON=C[C@H](CC)c1ccccc1 842550308 CWDHBLZCZMLHDV-LBPRGKRZSA-N 205.301 3.593 30 20 BHED C=C[C@H](C)ON=C[C@@H]1C(C)=CCC[C@H]1C 844621349 GNVXVMRVRXFLLQ-FRRDWIJNSA-N 207.317 3.556 30 20 BHED CC(C)(C)SCCS[C@@H](C#N)C1CC1 865365747 UCMSDSUYFRGBMI-JTQLQIEISA-N 229.414 3.553 30 20 BHED C=CC(C)(C)CC(=O)N(Cc1ccco1)C(C)C 879290959 PGEBHKUBRGHOLD-UHFFFAOYSA-N 249.354 3.619 30 20 BHED CCSc1ccccc1CN(CC)[C@H](C)C#N 931056534 NJZIZNTTZBKXPX-GFCCVEGCSA-N 248.395 3.533 30 20 BHED C=C(C)CCC(=O)N(CCCC)c1cccnc1 1340783627 SEEFIXLMJPGYKX-UHFFFAOYSA-N 246.354 3.571 30 20 BHED C=C(Cl)CN1CCC[C@H](C)[C@H]1CCC 1653646277 BGWHZYJFDVRTEW-CMPLNLGQSA-N 215.768 3.640 30 20 BHED C[C@@H]1CN(CCC2(C#N)CCCCC2)[C@@H](C)[C@@H]1C 1654779577 UGQXSMSOZCMEEC-KFWWJZLASA-N 248.414 3.827 30 20 BHED C[C@H]1CN(CCC2(C#N)CCCCC2)C(C)(C)C1 1659971570 UDIHCDHBEKXHOL-CQSZACIVSA-N 248.414 3.971 30 20 BHED C=C(C)CN(CC)C(=O)Nc1cccc(C)c1C 6593929 LAJLRGJAHHMVQG-UHFFFAOYSA-N 246.354 3.733 30 20 BHED C[C@H]1CCCC[C@@H]1Nc1ccc(OCC#N)cc1 20126411 ATAHETRMWGMVRQ-WFASDCNBSA-N 244.338 3.580 30 20 BHED Cc1ccccc1SCCCCC#N 49579611 KNCHFPGWJNIDKE-UHFFFAOYSA-N 205.326 3.781 30 20 BHED N#Cc1c(F)cccc1SCc1ccccc1 57652343 DBYPRIYZKNLNQN-UHFFFAOYSA-N 243.306 3.990 30 20 BHED CCCCCCC[C@H](C)NC1CCC(O)CC1 59089856 WLKYRTPCILCBSC-NFOMZHRRSA-N 241.419 3.629 30 20 BHED CC(C)(C)CNc1cc(C#N)c2ccccc2n1 68770163 SNDMLZAJNIKRNG-UHFFFAOYSA-N 239.322 3.564 30 20 BHED CC(C)[C@H]1CCCN1c1ccc(C#N)c(Cl)c1 83662325 PIHSKSRJCCVPGH-CQSZACIVSA-N 248.757 3.836 30 20 BHED C[C@H]1CCC[C@@H](CNc2cccc(C#N)c2)C1 89604335 RRNKWRCAAVMISI-GXTWGEPZSA-N 228.339 3.796 30 20 BHED C=C(C)CN(CC)C(=O)Nc1ccccc1CC 104979086 FADYYNWFBYFAHU-UHFFFAOYSA-N 246.354 3.679 30 20 BHED CCCCCCCS[C@@H](C)CC(=O)OC 114310838 AOISRLDXTXRFSV-NSHDSACASA-N 232.389 3.642 30 20 BHED CC(C)CCN(CCC#N)Cc1cccs1 123495780 AWJOJYMOAMBEKK-UHFFFAOYSA-N 236.384 3.510 30 20 BHED CC[C@H](C#N)SCc1cc(C)ccc1OC 127812853 SIKJNHOYJBAJRX-GFCCVEGCSA-N 235.352 3.539 30 20 BHED C=C[C@H](CC(=O)NC(C)(C)CC)c1ccccc1 129263231 DJOICQQNXALHGL-CYBMUJFWSA-N 245.366 3.651 30 20 BHED C[C@@H]1CCC[C@@H](Sc2cccnc2C#N)C1 130903435 MPXFTBQJRVOEGS-GHMZBOCLSA-N 232.352 3.624 30 20 BHED C=C(Cl)COc1ccc(Cl)c(F)c1 134226837 MCJLDLLTKMDXII-UHFFFAOYSA-N 221.058 3.610 30 20 BHED CC[C@@H]1CCCC[C@H]1Nc1nccc(C)c1C#N 135067813 KRJLCKFPXKYIGG-TZMCWYRMSA-N 243.354 3.642 30 20 BHED C=CCN(C)C(=O)Nc1ccc(CCCC)cc1 156087135 KNCFNDLJZTXVHV-UHFFFAOYSA-N 246.354 3.679 30 20 BHED CCCCCCC[C@H](C)NCC(C)(C)OC 158960538 JQKXTDDQVQXXHC-ZDUSSCGKSA-N 229.408 3.750 30 20 BHED C[C@H](NC[C@@H](C)C(C)(C)C)c1ccc(C#N)cc1 162732675 JPKTUSJKXWFRIU-OLZOCXBDSA-N 244.382 3.891 30 20 BHED C=C(Cl)CNC1CCC(C(C)(C)C)CC1 167749539 LQWKKTYBDVEESG-UHFFFAOYSA-N 229.795 3.933 30 20 BHED N#Cc1csc(/C=C/C(=O)c2cccs2)c1 176836584 KSIQYBXIPYKDJA-ONEGZZNKSA-N 245.328 3.577 30 20 BHED Cc1cc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)c(C)o1 192774876 TUIOPMLIYGDDQL-UBHSHLNASA-N 246.354 3.629 30 20 BHED CC(C)(CCC#N)CN[C@H]1CCc2ccccc21 229671278 XIFXAOCANACTFU-HNNXBMFYSA-N 242.366 3.593 30 20 BHED CCC(CC)COc1ccc(C#N)cc1F 232364116 FHAZCKPUZBALMY-UHFFFAOYSA-N 221.275 3.512 30 20 BHED C=CCCCSCc1cnc(C)s1 265392684 IBMPDNZUHMGANI-UHFFFAOYSA-N 213.371 3.651 30 20 BHED C[C@H](CCC#N)N[C@H](C)c1ccccc1Cl 276322502 OZKPZOKSLCZNMK-GHMZBOCLSA-N 236.746 3.683 30 20 BHED CSc1ccc([C@H](C)N[C@H](C)CCC#N)cc1 298613863 UEGBYGGVOZFKSF-NEPJUHHUSA-N 248.395 3.751 30 20 BHED C[C@@H]1CCC[C@H](CN(CC#N)C2CCCC2)C1 310149436 OPKXZHIZRACFCO-KGLIPLIRSA-N 234.387 3.581 30 20 BHED C=CCSCCN[C@H]1C[C@@H](C)c2ccccc21 310195122 QZHQNYIVXQVJSB-DOMZBBRYSA-N 247.407 3.744 30 20 BHED C=C(Br)CSC/C(C)=C\Cl 378975582 UTDBQSBQIJLQAB-UTCJRWHESA-N 241.581 3.771 30 20 BHED CCCCCCCN[C@]1(CCC)CCOC1 379428775 DBMKIASWNHRUSM-CQSZACIVSA-N 227.392 3.506 30 20 BHED C=C(C)CCN[C@@H]1CCc2ccc(C)cc21 395268401 KGXGOIBQJAWAAR-OAHLLOKOSA-N 215.340 3.538 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H](C)c1cc(C)oc1C 429813276 IXFRNYKLLHZQGZ-NSHDSACASA-N 249.354 3.676 30 20 BHED C=CCC[C@@H](C)NCCc1ccc2[nH]ccc2c1 442810609 NLMUMDAFVAZZLP-CYBMUJFWSA-N 242.366 3.655 30 20 BHED C=CC(C)(C)C(=O)N[C@H](CCC)CCCC 450103639 KCAYPOSEJYEHQQ-GFCCVEGCSA-N 225.376 3.674 30 20 BHED C=C[C@H](C)NC(=O)[C@H](CCC)CC1CCCC1 465121673 SRRPBKMEIWBWPZ-GXTWGEPZSA-N 237.387 3.674 30 20 BHED CCCC1CCC(N[C@H]2CC[C@H](C#N)C2)CC1 471605878 KYAQCNMHFUIOKS-SHWKFHJASA-N 234.387 3.627 30 20 BHED C=C(C)CN(C)C(=O)CCCC1CCCCC1 479317785 ZCXZQFJAXCHXOT-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C=C(CC)CN(C)[C@@H](C)c1cc(F)ccc1F 540218023 ZPNVTVFPBKRFFX-NSHDSACASA-N 239.309 3.924 30 20 BHED C=CCN(CC=C)C/C=C/c1ccc(F)cc1F 544603533 JBQSYZBIMUHBCS-AATRIKPKSA-N 249.304 3.652 30 20 BHED C/C(=C\c1ccccc1)CN(C)CC(C)(C)C#N 572065986 MGVCNYGUUWQZON-GXDHUFHOSA-N 242.366 3.571 30 20 BHED CC[C@@H](NC1(C2CC2)CC1)c1ccc(C#N)cc1 575746912 UGFNVANGSMBTKH-OAHLLOKOSA-N 240.350 3.542 30 20 BHED CC(C)C(N[C@@H](C)c1cccc(C#N)c1)C(C)C 611438869 XQOOEXMLGZMUTP-ZDUSSCGKSA-N 244.382 3.889 30 20 BHED C=CC[C@H]1CCCN(C(=O)CC(C)(C)CC)C1 617782656 JUKNSCQGHLZCRF-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C=CCC1(NCc2ncc(CC)o2)CCCCC1 625936791 XPRYITAKLAWUSP-UHFFFAOYSA-N 248.370 3.606 30 20 BHED C=C(C)CCNC(=O)CCCC[C@H](C)CC 650928278 ZQYBDZBYDQIRFE-CYBMUJFWSA-N 225.376 3.675 30 20 BHED C=CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 671812505 CZEYNNDTKVCHSR-QLFBSQMISA-N 249.398 3.627 30 20 BHED C=CCCC(C)(C)NCc1cccc(C)c1O 717909331 QDMXIKBEZYWHCL-UHFFFAOYSA-N 233.355 3.535 30 20 BHED C[C@H]1CC[C@@H](C)C[C@H]1Nc1cc(F)cc(C#N)c1 718564089 JOBAQYIJPKECBU-JRPNMDOOSA-N 246.329 3.934 30 20 BHED CCON=C(C)c1cc2ccc(C)cc2o1 754922750 KLXBMRHTPSFXRW-UHFFFAOYSA-N 217.268 3.502 30 20 BHED C#CCCCN[C@H](C)c1cc2ccc(C)cc2o1 756037639 SPPXISQFENGMCZ-CYBMUJFWSA-N 241.334 3.805 30 20 BHED C#Cc1ccc(CNc2ccccc2Cl)cc1 809598244 FTLYRSYGEREVLL-UHFFFAOYSA-N 241.721 3.933 30 20 BHED CC(CC1CCCC1)=NOC/C=C\Cl 811670186 ZBEMTWREMWZZCP-QFRRRRDSSA-N 215.724 3.712 30 20 BHED C=CCC(=NOCC1CC1)c1ccc(F)cc1 814244696 GKRGPVKVVQLHOR-UHFFFAOYSA-N 233.286 3.533 30 20 BHED CC[C@H](C)NN=Cc1c(F)cc(C)cc1Cl 841637294 HMQJSAYPSWXVIY-VIFPVBQESA-N 242.725 3.510 30 20 BHED CC(C)=CCSc1nc(C#N)c(Cl)s1 853544788 KCOFILDODNCZHP-UHFFFAOYSA-N 244.772 3.726 30 20 BHED C=CC(C)(C)CC(=O)N1CCC[C@H]1C1CCCC1 878364536 GREUKMLXAYAFBZ-AWEZNQCLSA-N 249.398 3.770 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1cc(C)ccc1OC 929198583 GMCFYPSANBKRJU-LBPRGKRZSA-N 247.338 3.544 30 20 BHED C[C@H](CN1CCCC(C)(C)[C@H]1C#N)C(C)(C)C 1194101434 LFVLEAKJAVIVFO-CHWSQXEVSA-N 236.403 3.683 30 20 BHED CCCCCCCc1nnc(CC2CC2)o1 1257923319 DZORQHTUWGPNAQ-UHFFFAOYSA-N 222.332 3.535 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccc(F)cc1 1339153801 YQIUIJPFFNYMGF-ABAIWWIYSA-N 249.329 3.605 30 20 BHED CSc1ccccc1[C@@H](C)NCC(C)(C)C#N 1339191860 DYOGRZQLUNANIL-LLVKDONJSA-N 248.395 3.609 30 20 BHED N#Cc1ccc(CCSc2cccs2)cc1 1458912661 ASXZZICIYIMTJI-UHFFFAOYSA-N 245.372 3.955 30 20 BHED N#Cc1cccc(N[C@@H]2CCc3ccccc3C2)c1 37203226 SVYZILYJJNBILF-QGZVFWFLSA-N 248.329 3.528 30 20 BHED C=CCN(C)[C@H](C)c1cc2ccccc2o1 44089809 CFBVMTDIFDQUCY-LLVKDONJSA-N 215.296 3.612 30 20 BHED CC[C@@H](CC#N)N[C@@H](CC)c1ccc(F)cc1 54183053 JLGUHPHETCHVDE-KBPBESRZSA-N 234.318 3.559 30 20 BHED CCCCN(CC)c1ccc(C#N)c(Cl)c1 61850715 KDTLZATUIAZPLS-UHFFFAOYSA-N 236.746 3.838 30 20 BHED N#CCC1(CNc2ccc(Cl)c(F)c2)CC1 83853952 ISVNLZYSLPPDSO-UHFFFAOYSA-N 238.693 3.585 30 20 BHED CC(C)(C#N)CCCNc1cc(F)ccc1F 87597016 GNHFKJZGMLPKGQ-UHFFFAOYSA-N 238.281 3.707 30 20 BHED C[C@@H]1CCC[C@H](CNc2cccc(C#N)c2)C1 89604329 RRNKWRCAAVMISI-OCCSQVGLSA-N 228.339 3.796 30 20 BHED Cc1cc(C)cc(-c2nc3cc(C#N)ccc3[nH]2)c1 96874475 RHEIGDOETMTZDT-UHFFFAOYSA-N 247.301 3.718 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCc2ccc(Cl)cc21 129623153 IYNIGZCKYPQGPK-QMTHXVAHSA-N 235.758 3.882 30 20 BHED C=CCCN1C[C@H](c2ccc(F)cc2)C[C@@H]1C 133162347 SXPMJSZXMKOPFQ-GXTWGEPZSA-N 233.330 3.580 30 20 BHED C#CCCCNc1ccc(C(C)C)cc1 161054805 IBFXAHXZJGRBLS-UHFFFAOYSA-N 201.313 3.635 30 20 BHED Cc1ccc(F)cc1N[C@H]1CCC[C@@H](C#N)C1 185735542 RUAQAGIEMVYDMZ-YPMHNXCESA-N 232.302 3.628 30 20 BHED CCCCCCCCS(=O)(=O)[C@@H](C)C(C)C 191050140 FEVSSHWVYGFHIJ-ZDUSSCGKSA-N 248.432 3.806 30 20 BHED C=CCSCCN[C@H](C)c1cc(C)cc(C)c1 221937358 SLTLVTZSRQMHRK-CQSZACIVSA-N 249.423 3.873 30 20 BHED C#CCCCCN[C@@H](CC)C[C@@H](C)CC 222294323 KRCQNKPWGIOWQN-KBPBESRZSA-N 209.377 3.594 30 20 BHED CCCC[C@H](CCC)CNCc1ccc(C#N)o1 236875508 AICPVUQWVACYRZ-ZDUSSCGKSA-N 248.370 3.847 30 20 BHED CC[C@H](CC#N)N[C@H]1CCC[C@H]1c1ccccc1 274392345 VTGZXYVHYCFYNN-PMPSAXMXSA-N 242.366 3.605 30 20 BHED C=CCCCCCNc1ccn(C(C)C)n1 300888902 UCDLMBBMAVUSIJ-UHFFFAOYSA-N 221.348 3.622 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1CCC[C@H]1C 309019858 WJNNTHHYVPIXLM-HZSPNIEDSA-N 209.377 3.900 30 20 BHED C=CCCCN[C@@H](C)c1cccc(C)c1C 309497026 UDCYHKLTDNHSBJ-AWEZNQCLSA-N 217.356 3.920 30 20 BHED F[C@@H](CSCCC(F)(F)F)C(F)(F)F 336971778 POPTVVQWWQEONX-BYPYZUCNSA-N 244.175 3.572 30 20 BHED Cc1cc(SC2CCCCC2)c(C#N)cn1 399456405 OPHZTQHMOJFUOD-UHFFFAOYSA-N 232.352 3.687 30 20 BHED C=CCC[C@H](CC)NC[C@H](C)CC(F)(F)F 414292605 YPGBACIWSVAFQU-MNOVXSKESA-N 237.309 3.909 30 20 BHED C=CCC1(C(=O)N(C)CC(=C)C)CCCCC1 450473113 YTUOERISZBJLTA-UHFFFAOYSA-N 235.371 3.548 30 20 BHED C=C(C)CCNC(=O)[C@H](CCC)c1ccccc1 452722836 LNGMDEFFVBKJPU-OAHLLOKOSA-N 245.366 3.653 30 20 BHED C=C[C@@](C)(CC)C(=O)NCC1CCC(C)CC1 468110134 MBDKBNIYXULWOL-PIMMBPRGSA-N 237.387 3.531 30 20 BHED C=CCCCC(=O)Nc1ccc(C)c(Cl)c1 479494282 FHZMXIARDHUDML-UHFFFAOYSA-N 237.730 3.943 30 20 BHED C=CCCC[C@@H](C)Nc1nccc(C(F)F)n1 480113383 GQFFLPNAQXHRMF-SECBINFHSA-N 241.285 3.571 30 20 BHED CCC[C@H](CC)Sc1ccc(C#N)cn1 480854159 NGKSHLGWMWLQSD-NSHDSACASA-N 220.341 3.624 30 20 BHED C=C[C@@H]1CCCCN1CCCc1ccccc1 489500747 VMOYPKJBZDOTPQ-MRXNPFEDSA-N 229.367 3.660 30 20 BHED C=CCCCN1CC[C@@H](c2ccccc2F)C1 555583129 PPIBCCSEADCNOC-CYBMUJFWSA-N 233.330 3.581 30 20 BHED C=C[C@H]1CCCCN1Cc1ccc2occc2c1 583172171 WOAXHOVXSYLONQ-HNNXBMFYSA-N 241.334 3.973 30 20 BHED Cc1ccc([C@H](C)NC[C@@H](C)CCC#N)cc1 602517282 FFALQDXKKMMBEI-KBPBESRZSA-N 230.355 3.586 30 20 BHED CC[C@@](C)(NCCCCC#N)c1ccc(F)cc1 602926460 NUNDHGHMBPINJX-OAHLLOKOSA-N 248.345 3.734 30 20 BHED C=CCCCCCN(C)Cc1ccc(C#N)cc1 610080072 QPGOVOBTECKWPJ-UHFFFAOYSA-N 242.366 3.736 30 20 BHED C=C(CC)CSCc1ccc(OCC)cn1 611340330 VVKVTYMMJGAWOJ-UHFFFAOYSA-N 237.368 3.680 30 20 BHED C=CCN(C(=O)[C@@H]1CCC[C@H](C)C1)C(C)(C)C 622944480 URNAVBVZAARBEV-QWHCGFSZSA-N 237.387 3.626 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccsc1C 634214421 CTSZIRDGUFNTIO-UHFFFAOYSA-N 223.341 3.597 30 20 BHED C=C(CC)CNc1ccc(-n2cccn2)cc1C 682709252 GKELLOMXVSHEGT-UHFFFAOYSA-N 241.338 3.559 30 20 BHED C[C@@H](CCC#N)N1CCC(C)(C)CC(C)(C)C1 688280340 QWRFBPIPQZIAQH-ZDUSSCGKSA-N 236.403 3.827 30 20 BHED CCCCCCCN(CC)CCc1ccccn1 740875131 GXOHVAFUMXWVQF-UHFFFAOYSA-N 248.414 3.916 30 20 BHED C=CCCCOC(=O)CCCC1CCCC1 745602594 MBOPNLIFPWTCTM-UHFFFAOYSA-N 224.344 3.856 30 20 BHED C(=NNc1ccccc1)[C@H]1C[C@@H]1c1ccccc1 755461109 ALBPAQDTXXDGTM-GDBMZVCRSA-N 236.318 3.888 30 20 BHED CCCC(C)=NOCc1ccc(F)cc1 758143524 GLWAWOPHLDKSPD-UHFFFAOYSA-N 209.264 3.518 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C\c1ccsc1 775924236 IGLKSHMTIPQFMF-KRZKBDHCSA-N 249.379 3.622 30 20 BHED C=CCCC[C@H](C)NC(=O)C(F)=C1CCCC1 776014850 COCVAQOIYKBKRB-NSHDSACASA-N 239.334 3.645 30 20 BHED Cc1cc(C=NNc2ncccc2C)c(C)s1 790193161 WHSSSJDBOFHOPP-UHFFFAOYSA-N 245.351 3.514 30 20 BHED CON=C/C(C)=C/c1ccccc1C(F)(F)F 799875157 OVGYTIXLOYVSNB-DBJKKYBTSA-N 243.228 3.741 30 20 BHED CCCC[C@@H](CCC)OC(=O)[C@](C)(C#N)CC 803788236 OISDURGMVWIJMH-OCCSQVGLSA-N 239.359 3.828 30 20 BHED C=CCCCCCCNC(=O)[C@@H](C)C(C)(C)C 805218078 REMPLGNEJCZFJF-CYBMUJFWSA-N 239.403 3.921 30 20 BHED CCCCCCCCn1ccnc1[C@H](O)CC 810006733 ZZYKWELHTXQZRO-CYBMUJFWSA-N 238.375 3.687 30 20 BHED CCCC(=NOCC(F)(F)F)C1CCCC1 834963004 IMEWSBGDFGUIMY-UHFFFAOYSA-N 237.265 3.912 30 20 BHED CCCCCCCC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 838258730 GIJBHSHUZJWRAI-HZSPNIEDSA-N 237.387 3.652 30 20 BHED C#Cc1cccc(NCC2CCC(F)(F)CC2)c1 841692894 LKQMAKOIRFVABP-UHFFFAOYSA-N 249.304 3.905 30 20 BHED C=C[C@@H](C)ON=C(C)CCc1cccc(F)c1 844625361 QUXXXHWSKCIJJY-GFCCVEGCSA-N 235.302 3.725 30 20 BHED C=CCCN[C@H](CC)c1ccc2c(c1)CCCO2 850503002 YWMUOLLNALKPDU-OAHLLOKOSA-N 245.366 3.628 30 20 BHED CC(CC(C)(C)C#N)=NN[C@@H]1CCCCC1(C)C 853340637 DIPASCGSMVWBEW-CYBMUJFWSA-N 249.402 3.861 30 20 BHED CC(C)c1ccccc1COC(=O)CCCC#N 909338238 QRLYAWRFKIUBQX-UHFFFAOYSA-N 245.322 3.547 30 20 BHED C=C(Cl)CN(C1CCC(C)CC1)C1CC1 917064693 GVVJDXLJWMKRCW-UHFFFAOYSA-N 227.779 3.782 30 20 BHED CCCCCCC[C@@H](C)CNC(=O)CC1CC1 917871154 LLGUPRCDWQEYML-CYBMUJFWSA-N 239.403 3.899 30 20 BHED C=CCCOC(=O)c1cc(Cl)cc(Cl)c1 918503836 AXXHUNBIWGXVRX-UHFFFAOYSA-N 245.105 3.726 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1ccccc1OCC 929673233 VFQZAJMUXIDNFU-LBPRGKRZSA-N 247.338 3.626 30 20 BHED Cc1cc(OC[C@H](C)C(C)(C)C)ccc1C#N 1459060004 JKKJHYVDZGPQFN-LBPRGKRZSA-N 231.339 3.928 30 20 BHED CCC[C@H](CC)C(=O)O[C@H](CC#N)c1ccco1 1518000534 HIQDDXLCQPGMOW-WCQYABFASA-N 249.310 3.604 30 20 BHED C=C(Cl)CSc1nc2ccc(F)cc2o1 1644244261 CDOZQQNVPJNZDE-UHFFFAOYSA-N 243.690 3.812 30 20 BHED N#Cc1ccccc1COc1ccccc1Cl 11834118 XIKXDJDQVFSFPP-UHFFFAOYSA-N 243.693 3.791 30 20 BHED Cc1ccc(NCc2ccc(C#N)cc2)c(C)c1 19877453 JCCBVPPYFUVLNQ-UHFFFAOYSA-N 236.318 3.787 30 20 BHED CCCCCCN[C@H](C)c1ccc(C#N)cc1 20143571 SJOZGBQIFWUXBJ-CYBMUJFWSA-N 230.355 3.789 30 20 BHED C=CCN(CC=C(C)C)Cc1ccccc1 34623249 AWSSEJSSMAINFX-UHFFFAOYSA-N 215.340 3.641 30 20 BHED CC[C@H](C)CN[C@H](CCC#N)c1ccccc1 93109623 FADCLCYKNUSZDZ-DZGCQCFKSA-N 230.355 3.667 30 20 BHED C=C(CN[C@H]1CCC[C@@H](C)C1)c1ccccc1 97602921 WYGHWYUGNWQXEI-CJNGLKHVSA-N 229.367 3.868 30 20 BHED C=C(C)CN[C@@H](C)c1ccc(OC(F)F)cc1 128481721 YUGMOYWGFKCDCE-JTQLQIEISA-N 241.281 3.515 30 20 BHED CC(C)CCOCCSc1cccc(C#N)c1 158800219 WNHYKWHEDCINNL-UHFFFAOYSA-N 249.379 3.713 30 20 BHED CCc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 185723743 NTLVUPKTAHVSLQ-UKRRQHHQSA-N 228.339 3.743 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccc(C)cc1 190124624 GDPLWUVGVMGXHQ-CZUORRHYSA-N 245.366 3.775 30 20 BHED CCCCCCCO[C@@H]1CCCc2c[nH]nc21 190169252 ZKEYLOJKQKYUIF-CYBMUJFWSA-N 236.359 3.774 30 20 BHED C=CCC[C@@H](CC)Nc1ccc(COC)cc1 193416848 XPEOYWKPMLWHSZ-CQSZACIVSA-N 233.355 3.990 30 20 BHED N#Cc1ccc(NCCCC2CCCC2)cc1 221408944 AXJYOWXWWOXXTA-UHFFFAOYSA-N 228.339 3.941 30 20 BHED C[C@@H]1CCC[C@H](Nc2cc(F)cc(C#N)c2)C1 227607652 QHVSHCVVTGROLZ-MFKMUULPSA-N 232.302 3.688 30 20 BHED C=C(C)CCNc1ccccc1SC 232273968 YQSKIWLPXQODQR-UHFFFAOYSA-N 207.342 3.787 30 20 BHED CC(C)[C@H](C)N(C)CCCCC(C)(C)C#N 232736657 WBXGJVUSRIBHFR-ZDUSSCGKSA-N 224.392 3.683 30 20 BHED CCN(CCCCC#N)[C@@H]1CCCC[C@H]1C 249306913 DCTLLRKQFDRMRS-ZIAGYGMSSA-N 222.376 3.581 30 20 BHED C[C@@H]1[C@@H](NCC(C)(C)CCC#N)CCC[C@H]1C 253033521 USCDIINTVDHXAL-RDBSUJKOSA-N 236.403 3.731 30 20 BHED Cc1ccc(C(=O)/C=C\c2sccc2C)o1 255146224 PTXCEWISCFLRCT-XQRVVYSFSA-N 232.304 3.854 30 20 BHED Cc1ccc(CN2CCC(CCC#N)CC2)s1 260098791 PVTOSQBOHYTSHC-UHFFFAOYSA-N 248.395 3.572 30 20 BHED C=CCCC[C@H](C)N[C@H]1CCC12CCC2 308897182 ZUUGEGSRSDXJDO-STQMWFEESA-N 207.361 3.654 30 20 BHED C=CC[C@H](CC)NC1CCC(C(F)F)CC1 309722190 WJZPNIVLOPIIFW-CXQJBGSLSA-N 231.330 3.755 30 20 BHED CCCCCCCCN[C@H](CC)[C@@H]1CCOC1 310263513 DOYDVKKJBMTSGT-HUUCEWRRSA-N 241.419 3.752 30 20 BHED Cc1c(C#N)cccc1NCc1ccc(Cl)o1 354740036 OHXDEVXMDRATEE-UHFFFAOYSA-N 246.697 3.725 30 20 BHED C=CCCCSCc1cn2c(C)cccc2n1 360979100 PLLOOKSJBNXJDW-UHFFFAOYSA-N 246.379 3.842 30 20 BHED CC(C)C[C@@H](C)C[C@@H](C)NCC1(CC#N)CC1 430731533 WIAMZHMECFDFJB-ZIAGYGMSSA-N 236.403 3.731 30 20 BHED CCc1ccccc1CCSCCCC#N 435882018 DACHDZFSBYFLKW-UHFFFAOYSA-N 233.380 3.828 30 20 BHED C[C@@H]1CC[C@@H](NC2CCC(C)(C#N)CC2)C[C@H]1C 449240381 YRTPHQWCUIPTCC-LFOPHDTNSA-N 248.414 3.873 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1CC[C@@H](F)C1 449332702 RYTRSRHMTRFJAR-YNEHKIRRSA-N 213.340 3.602 30 20 BHED C=CCCCCCN[C@@H]1CCC[C@@H]2C[C@@H]21 459777762 LQIHVJAKMMXHQU-HZSPNIEDSA-N 207.361 3.511 30 20 BHED C=CCCC1(C(=O)Nc2cccc(C)c2C)CC1 474084529 YZDGLAIVGJDVEM-UHFFFAOYSA-N 243.350 3.988 30 20 BHED C=C(CC)CS[C@@H](CC)C(=O)OC(C)(C)C 479543274 LSKISPFLNPVYKS-NSHDSACASA-N 244.400 3.806 30 20 BHED C=CCCCCCN(C)C(=O)C1CC(C)(C)C1 513280547 ASAUQMREHPJJMP-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CCC[C@@H](NC[C@@H]1CC1(C)C)c1ccco1 513713089 KBVCSFQMSRKDEE-QWHCGFSZSA-N 233.355 3.923 30 20 BHED CC#CCN(C1CC1)[C@H](C)c1ccccc1Cl 525633125 LXQXMVCTJXOELU-GFCCVEGCSA-N 247.769 3.889 30 20 BHED C=C(C)CN1CC2(CCC2)c2c(F)cccc21 548979146 UFSIEZNJPQNCRR-UHFFFAOYSA-N 231.314 3.644 30 20 BHED C[C@H](CC1CCCCC1)Nc1cc(C#N)ccn1 557675165 IRDXYYPFXUTNNX-GFCCVEGCSA-N 243.354 3.724 30 20 BHED C=C(C)CCc1noc(C2(CC(C)C)CC2)n1 564756479 FPLRDXUKSZYXDW-UHFFFAOYSA-N 234.343 3.656 30 20 BHED CC#CCCCc1nc([C@@H]2CCCC[C@H]2C)no1 567458930 AVAJTNHJFAKDMQ-CHWSQXEVSA-N 246.354 3.709 30 20 BHED Cc1ccc(C[C@H](C#N)SCC2CC2)cc1 567844028 XMLFNEHEFIKLFO-CQSZACIVSA-N 231.364 3.573 30 20 BHED FC(F)(F)c1ccnc(C#Cc2ccccc2)c1 585144985 RBRQJFRAJXMFET-UHFFFAOYSA-N 247.219 3.500 30 20 BHED C[C@@H](CCC#N)CN1CCc2ccccc2[C@@H]1C 602461795 LYUVTNBIBMKKNK-KBPBESRZSA-N 242.366 3.546 30 20 BHED CC(C)N(CCC#N)Cc1coc2ccccc12 611259168 JWZOAJMEKKUVOU-UHFFFAOYSA-N 242.322 3.557 30 20 BHED C=CC[C@H]1CCCN(C(=O)C2CCCCCC2)C1 617784352 RMCJADQKGIAOML-AWEZNQCLSA-N 249.398 3.772 30 20 BHED C=CCCC(C)(C)NC(=O)c1cc(C)ccc1F 620861326 LUVHFOSAXVHVMP-UHFFFAOYSA-N 249.329 3.609 30 20 BHED C=CCN(CC=C)C(=O)c1ccc(CCC)s1 630407890 YQYUZOLKORQURM-UHFFFAOYSA-N 249.379 3.515 30 20 BHED CC(=NNc1ccccn1)[C@@H](C)c1ccccc1 746370053 DRMPTWZNLRZZHQ-GFCCVEGCSA-N 239.322 3.673 30 20 BHED C=C(Cl)CN(CC)Cc1ccc(C)cc1 746653488 VLOKBBSLZWXXGT-UHFFFAOYSA-N 223.747 3.569 30 20 BHED C=CCC[C@@H](NCc1c(C)cccc1F)C1CC1 747868772 GZSWONVFXAYHCW-MRXNPFEDSA-N 247.357 3.969 30 20 BHED C=CCCCC(=O)Nc1c(F)cccc1Cl 753475446 JLJJUBLTDPRTKE-UHFFFAOYSA-N 241.693 3.774 30 20 BHED CCC[C@H](C)c1noc(-c2cc(C#N)cs2)n1 761844176 NMTAWVQRLBTVFG-QMMMGPOBSA-N 247.323 3.573 30 20 BHED C=CCC(CC=C)C(=O)OC/C(Cl)=C/Cl 764007438 LQZWMFFDMVVBGU-YFHOEESVSA-N 249.137 3.617 30 20 BHED C=CCN(Cc1coc2ccccc12)C(C)C 768546658 BWCGRZXEKIDKKN-UHFFFAOYSA-N 229.323 3.829 30 20 BHED CCCCCC(C)=NNCc1ccc(C#N)cc1 769821460 RSAKBTUELDXKCW-UHFFFAOYSA-N 243.354 3.604 30 20 BHED CC[C@@H]1CCCC(=NOCCC(F)(F)F)C1 777462458 BOCFTRZSHOHXGQ-SECBINFHSA-N 237.265 3.912 30 20 BHED CC(=NOC/C=C/Cl)c1cc(C)ccc1C 811668954 LHGFETUFWMHZSX-UXRYSFGWSA-N 237.730 3.797 30 20 BHED C[C@H]1CCC[C@@H](C=NOCCC2CC2)C1 814246277 YKXQKOQRJNZWJJ-WCQYABFASA-N 209.333 3.615 30 20 BHED Fc1ccc(NN=C2CC[C@@H]2C2CCC2)cc1 814693257 FMIUWZSRQQADHT-CYBMUJFWSA-N 232.302 3.804 30 20 BHED C=C[C@@H](C)ON=C(C)c1ccc(Cl)s1 844624617 YMRNKOROEYZULQ-SSDOTTSWSA-N 229.732 3.717 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)/C=C\SC 851141862 DZBZUWOGCFIDGS-CYRCAWSMSA-N 240.368 3.541 30 20 BHED Clc1ccccc1NN=C1C[C@H]2CC[C@H]1C2 1117702075 LIHSKUNUIJKMRH-UWVGGRQHSA-N 234.730 3.928 30 20 BHED C=C[C@@H](C)ON=C(C)c1ccccc1SC 1332537365 CSDXRIBXGQLFDU-SNVBAGLBSA-N 235.352 3.724 30 20 BHED C=C(CC(C)C)C(=O)Nc1ccc(C)cc1OC 1350928215 CSBSIOKXGRLVNO-UHFFFAOYSA-N 247.338 3.544 30 20 BHED C=C(Cl)CNCC1CCC(CCC)CC1 1655687528 DXLVJIPXXIQTMH-UHFFFAOYSA-N 229.795 3.935 30 20 BHED C=CCOc1ccc(CN[C@@H](C)[C@@H](C)CC)cc1 42552975 VENNXVSOEJYWEP-KBPBESRZSA-N 247.382 3.776 30 20 BHED C=CCN(C)[C@@H](C)c1ccc(Cl)cc1 45007417 MBBXYIUQDHNMII-JTQLQIEISA-N 209.720 3.519 30 20 BHED C=CCC[C@@H](NCCC)c1ccccc1 70594399 BMONPGIAELYUEQ-CQSZACIVSA-N 203.329 3.694 30 20 BHED CCCCCCCCCC(=O)N[C@H](C#N)CC 102351976 BEMZAGCGBZSMSK-ZDUSSCGKSA-N 238.375 3.545 30 20 BHED CCCCCCCC(=O)Nc1ccc(F)nc1 135101114 CVVLKJHAUCDCKM-UHFFFAOYSA-N 238.306 3.520 30 20 BHED C=C(C)CNCc1csc2ccccc12 153379559 KPOJAKKCIRGWIL-UHFFFAOYSA-N 217.337 3.567 30 20 BHED CC(C)C(CNCC(C)(C)CCC#N)C(C)C 191701414 LQOVAXQBRAZJMR-UHFFFAOYSA-N 238.419 3.834 30 20 BHED C=CCN1CCCCC[C@@H]1c1ccc(OC)cc1 248253928 QYJABJLALQABTJ-MRXNPFEDSA-N 245.366 3.798 30 20 BHED N#Cc1cccc(CSCCC(F)(F)F)c1 265906554 WQOWMILACNTZTR-UHFFFAOYSA-N 245.269 3.744 30 20 BHED C=C(CNCC(C)(C)CCC#N)c1ccccc1 266165167 AHSUYZHLUBEOPF-UHFFFAOYSA-N 242.366 3.619 30 20 BHED CC[C@H](NCC=C(C)C)c1ccc(C#N)cc1 278611038 FRAZYHDHEAUHCB-HNNXBMFYSA-N 228.339 3.565 30 20 BHED C[C@H](CCC1CC1)Nc1ncc(C#N)cc1Cl 302215140 HHWMTHPXWAKLLM-SECBINFHSA-N 249.745 3.597 30 20 BHED C=CCCCCCCNc1ncncc1Cl 309242680 XGHDOMWNQCCCFX-UHFFFAOYSA-N 239.750 3.678 30 20 BHED CCCCCC[C@@H]1CCC[C@@H]1NCCC#N 309617770 CFGBFGFUBOYPAN-KGLIPLIRSA-N 222.376 3.629 30 20 BHED C=CCN(CC[C@@H](C)F)Cc1ccccc1F 351846049 ZGFPIVPRMVOVGJ-GFCCVEGCSA-N 239.309 3.562 30 20 BHED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)CC 352899295 CEQKRMGFYNVQCT-AWEZNQCLSA-N 249.402 3.641 30 20 BHED CC[C@@H]1CCC[C@H]1N[C@H](C)c1cccc(C#N)c1 388922744 SBQDHPNIKMBNHL-XNRPHZJLSA-N 242.366 3.788 30 20 BHED C=CCCCCC[C@H](C)N[C@@H]1CCCSC1 390515087 CSDQPLDUEDBTOX-UONOGXRCSA-N 241.444 3.997 30 20 BHED C=CCN(CCSCc1ccccc1)C1CC1 430764078 FNPFFNKKQARVRC-UHFFFAOYSA-N 247.407 3.570 30 20 BHED C=CCC(C)(C)C(=O)Nc1cc(F)cc(F)c1 431684077 FDXNBOATVXJOGP-UHFFFAOYSA-N 239.265 3.506 30 20 BHED C=CCN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 451360856 YUDJEYIFLDFTBN-CYBMUJFWSA-N 239.721 3.706 30 20 BHED C=CCCC1(C(=O)NC[C@H]2CCC[C@H](C)C2)CC1 475101294 CGMJNCPUFKAYQK-KBPBESRZSA-N 249.398 3.675 30 20 BHED C=CCCCCCN(CCC)CC(F)F 487926448 CYAMQZYWQAFDSC-UHFFFAOYSA-N 219.319 3.710 30 20 BHED Cc1c(Cl)cccc1OCC1(C#N)CCC1 530182529 VWEKZLCPQZWGTM-UHFFFAOYSA-N 235.714 3.721 30 20 BHED C=C[C@](C)(CC)c1nc(C(CC)CC)no1 584680266 UVNIDEVDAQXJGQ-CYBMUJFWSA-N 222.332 3.827 30 20 BHED N#C[C@H](Sc1cccc(Cl)c1)C1CC1 601076921 UKXPHLFXGIJIOW-NSHDSACASA-N 223.728 3.734 30 20 BHED C=CC[C@H]1CCCN(C(=O)C(C)(CC)CC)C1 617781448 MTJNTZOSSNDIGH-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C=CC[C@H]1CCCN(C(=O)[C@H](C)C2CCCC2)C1 617782442 FXOSNTVWCZPBQE-KGLIPLIRSA-N 249.398 3.627 30 20 BHED C=C(C)CCNC(=O)[C@H](CCCC)C(C)C 622088458 SZWZWNTWRLRJJW-CYBMUJFWSA-N 225.376 3.531 30 20 BHED C=CCN(C(=O)C[C@@H]1C=CCCC1)C(C)(C)C 622944732 CHZFGEAIKKWRMY-CYBMUJFWSA-N 235.371 3.546 30 20 BHED C=C(C)CCc1noc(C(C)(C)CCC)n1 650600078 PFGVXJLQFZDWLP-UHFFFAOYSA-N 222.332 3.656 30 20 BHED C=CCCC(C)(C)NCc1sccc1C 657805355 NCIYLMLYVHVFQA-UHFFFAOYSA-N 223.385 3.891 30 20 BHED C=CC[C@H](CC)NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 684939587 RNNXAZUDRQFWLR-MELADBBJSA-N 249.398 3.696 30 20 BHED CC[C@H](C)C[C@H](C)/N=C/c1c(O)cccc1OC 743042515 LTFMVHZIMIPDBY-ATARQRRYSA-N 249.354 3.644 30 20 BHED CCC(=NNc1ccccc1)c1ccc(C#N)cc1 772991009 QXKTUBUVVXVGEW-UHFFFAOYSA-N 249.317 3.784 30 20 BHED C=C(Cl)CN[C@@H]1CCC[C@H]1Cc1ccccc1 773004602 MLEPYOFGRYXVNB-LSDHHAIUSA-N 249.785 3.740 30 20 BHED CCOCCON=C/C=C(\C)CCC=C(C)C 774434015 CKMPAUIKNWOZQV-LRYYEEJPSA-N 239.359 3.718 30 20 BHED C=C[C@@](C)(CC)C(=O)Oc1ccc(C)c(F)c1 791024693 UNOBGMUYTQJUGK-AWEZNQCLSA-N 236.286 3.642 30 20 BHED CCCC(CCC)=NNc1ncccc1F 794992773 DEAYDUBPYJTEKV-UHFFFAOYSA-N 223.295 3.589 30 20 BHED CC[C@H](SCCO[C@H](C)C#N)c1ccccc1 801657935 LWHGKNLGDFPSBU-OCCSQVGLSA-N 249.379 3.800 30 20 BHED CC(C)[C@H](C=NOC1CCC1)c1ccccc1 812236372 LDZHQOIUFAOKLW-HNNXBMFYSA-N 231.339 3.981 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C(\C)c1ccco1 831732679 MJPGOEDAPCSBIF-YLSINNKHSA-N 247.338 3.544 30 20 BHED C#CCCCN(C)[C@H]1CCC[C@@H]1c1ccccc1 839172061 BHLQVSXNAJYPCM-SJORKVTESA-N 241.378 3.668 30 20 BHED C=C1CCC(c2nc(CCCCF)no2)CC1 897198135 SOFQKDFQBJXNLN-UHFFFAOYSA-N 238.306 3.576 30 20 BHED Cc1cccc(NN=Cc2cc(F)ccc2F)c1 915935442 DNXVRSUBITWBOC-UHFFFAOYSA-N 246.260 3.719 30 20 BHED CC1=CC(=NNc2ccc3ccccc3n2)CC1 916286795 VZRDVSQIKGLMDQ-UHFFFAOYSA-N 237.306 3.743 30 20 BHED CCSc1ccccc1CN(CC)[C@@H](C)C#N 931056535 NJZIZNTTZBKXPX-LBPRGKRZSA-N 248.395 3.533 30 20 BHED N#Cc1ccc(OC/C=C/c2ccccc2)cc1 19806735 FHYYUDWVCQMXJL-QPJJXVBHSA-N 235.286 3.650 30 20 BHED CSc1ccc(/C=C\C(=O)c2ccco2)cc1 33424374 SCYQNFXYHAEOPR-TWGQIWQCSA-N 244.315 3.898 30 20 BHED CC(C)C[C@H](C)Nc1cccc(F)c1C#N 36138813 IUTAUOVYUUBXNA-JTQLQIEISA-N 220.291 3.544 30 20 BHED CC1CCC(Nc2ccc(CC#N)cc2)CC1 37071266 KEFDLKAPGJBQEU-UHFFFAOYSA-N 228.339 3.743 30 20 BHED C[C@H]1CSC(SCCCC(C)(C)C#N)=N1 155441930 DMTJPCYXPRZTDK-VIFPVBQESA-N 242.413 3.541 30 20 BHED C#CCCCNc1ccc(OCC)c(Cl)c1 381590526 JHEXYGLUNZEVPI-UHFFFAOYSA-N 237.730 3.564 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(C)cc1OC 386803688 QNVIAFIYURCMED-CYBMUJFWSA-N 233.355 3.620 30 20 BHED C=CC[C@H](CC)Nc1nccc(C(C)(C)C)n1 393743236 HCZGZLMCRNPFDI-NSHDSACASA-N 233.359 3.541 30 20 BHED CC(C)[C@H](C)SCC1(C#N)CCCC1 405146381 ZRQCXJAAHHAPSJ-NSHDSACASA-N 211.374 3.848 30 20 BHED CC[C@@]1(C)CCN([C@H](C)c2cccc(C#N)c2)C1 442680930 OHJBDTCHIWVSGG-CJNGLKHVSA-N 242.366 3.741 30 20 BHED C=CCC1(CN[C@H](C)c2ccncc2)CCCC1 453350276 GEINIUNLLDQRPS-CQSZACIVSA-N 244.382 3.869 30 20 BHED C=CCC1(NC(=O)CCCC#CC)CCCCC1 456357901 AMHIUTNFSPTOCN-UHFFFAOYSA-N 247.382 3.575 30 20 BHED C=CCC1(CNC(=O)C[C@@H]2C=CCC2)CCCC1 456488732 RZTQBZQRNIYCBJ-CQSZACIVSA-N 247.382 3.595 30 20 BHED C=CCCCCCN[C@@H](C)c1cccc(C#N)c1 515951607 XLGQNZRNKHOFFY-AWEZNQCLSA-N 242.366 3.955 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H](C)CCC(C)(C)C 551311172 SMDYYNJVXWJOFZ-LBPRGKRZSA-N 239.403 3.920 30 20 BHED C=C(CC)CN1CC[C@@H](c2ccccc2F)C1 570819812 QPKCLMMRRBTJGZ-CYBMUJFWSA-N 233.330 3.581 30 20 BHED CCN(CCCC1CCCCC1)C[C@@H](C)C#N 580128225 XRHJJOQGYPOMFV-AWEZNQCLSA-N 236.403 3.828 30 20 BHED C=CCC(CC=C)C(=O)NC[C@@H]1CCCC1(C)C 581509494 DYUQGWPKVSCSBE-AWEZNQCLSA-N 249.398 3.697 30 20 BHED C(#Cc1cccc2ncccc12)c1ccccc1 585144733 APXDSIVMVYXMKM-UHFFFAOYSA-N 229.282 3.635 30 20 BHED CCC[C@H](CC)Sc1cc(C#N)nc(CC)n1 596223434 OEYGNYHTVXKJMU-NSHDSACASA-N 249.383 3.581 30 20 BHED C=CCN(C(=O)c1ccc(C=C)cc1)C(C)(C)C 622944749 CXPONMVKSGSFSL-UHFFFAOYSA-N 243.350 3.756 30 20 BHED C=C[C@@H]1CCCCN1C[C@H](CC)CC(F)F 660428812 GZKJYHSKLFKZHN-VXGBXAGGSA-N 231.330 3.708 30 20 BHED Cc1ccc(F)c(C=NNc2cccc(F)c2)c1 734979888 LLBJLFIWDRAULV-UHFFFAOYSA-N 246.260 3.719 30 20 BHED CCCCCCCS[C@@H]1CCO[C@H]1C 754724233 RFPMSTZGTLIXIF-NWDGAFQWSA-N 216.390 3.867 30 20 BHED C#CCCCC(=O)Nc1ccc(CCCC)cc1 757765074 JQMCEZNWVVKACM-UHFFFAOYSA-N 243.350 3.771 30 20 BHED CC[C@H]1CCCC1=NNCCCc1ccccc1 758370639 QDMHYOOTIPWMND-HNNXBMFYSA-N 244.382 3.775 30 20 BHED CCCC[C@H]1CCCC1=NOCC(F)F 758906187 BWLMDXHPSOPPAM-VIFPVBQESA-N 219.275 3.614 30 20 BHED CCC[C@@H](C=NOCC(F)F)c1ccccc1 758909146 AWUKUTBDKXAKRD-LBPRGKRZSA-N 241.281 3.838 30 20 BHED COc1cccc(NN=C[C@H]2CCC[C@H](C)C2)c1 768355719 POQLAQMCFUHYDH-STQMWFEESA-N 246.354 3.919 30 20 BHED C[C@H]1CCC[C@@H](C=NNc2ccccc2)C1 768357080 HJCBAXMOYOAZLY-QWHCGFSZSA-N 216.328 3.911 30 20 BHED CC1(C)CCCC[C@@H]1NN=C1CCC12CCC2 799887195 QDLLOZHZIWHOQA-LBPRGKRZSA-N 234.387 3.865 30 20 BHED C[C@H](C=NOCc1ccccc1)C(C)(C)C 800809793 GVNXJAHHYQXXTI-GFCCVEGCSA-N 219.328 3.871 30 20 BHED C=CCCCCCCCNC(=O)N(CC)CC 809852922 RDTWSLIEZAKJBN-UHFFFAOYSA-N 240.391 3.564 30 20 BHED CC(C)(C)[C@@H]1CC(=NOC/C=C\Cl)CS1 814934093 LIHLJPSXEVZWMA-NSVFUCJLSA-N 247.791 3.663 30 20 BHED CC#CCCCC(=O)Oc1cccc(C2CC2)c1 822158979 BNIPMFZWXRICMN-UHFFFAOYSA-N 242.318 3.663 30 20 BHED C=C(Cl)CSCc1ccc(CC#N)cc1 853783575 MECLBTVRBOAJLM-UHFFFAOYSA-N 237.755 3.738 30 20 BHED Cc1cc(N[C@H](C)CCCC(C)C)ncc1C#N 1162291882 JMRFZEOWNAMOGC-CYBMUJFWSA-N 245.370 3.888 30 20 BHED CC(Cc1ccccc1Cl)=NOCC(F)F 1325382424 ODVMOPAWQYITKU-UHFFFAOYSA-N 247.672 3.540 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)[C@H](C)[C@@H](C)CC 1337679147 IZKZJVQAXKLVHM-BFHYXJOUSA-N 237.387 3.626 30 20 BHED CC[C@H]1CCCC[C@@H]1Nc1cc(C)c(C#N)cn1 1611783246 IULHGIVQINZAFT-JSGCOSHPSA-N 243.354 3.642 30 20 BHED C[C@@H]1CC[C@@H](Sc2cccc(F)c2C#N)C1 1656593099 QZQCHBLZKBAGPL-NXEZZACHSA-N 235.327 3.978 30 20 BHED C[C@H]1CCC[C@@H](C)N1Cc1ccc(CC#N)cc1 34722405 IANFTYXYXIWKJT-OKILXGFUSA-N 242.366 3.516 30 20 BHED COc1ccccc1N[C@@H](C#N)C1CCCCC1 37938663 SSGLSFJHYOFVEI-AWEZNQCLSA-N 244.338 3.580 30 20 BHED CCCC[C@H](C)N[C@@H](C)c1cccc(C#N)c1 50887650 DUFBAWRUVHPQDK-STQMWFEESA-N 230.355 3.788 30 20 BHED CC1CCC(CNc2ccc(C#N)cc2)CC1 58610081 VDQPPYHQQCZSPO-UHFFFAOYSA-N 228.339 3.796 30 20 BHED C=C(C)CNC(=O)Nc1cccc2ccccc12 123216889 UNYFNSFGYIRFBU-UHFFFAOYSA-N 240.306 3.537 30 20 BHED C=C(Cl)CN[C@@H](C)c1ccc2c(c1)CCCC2 130934825 JHOYIFDQUTYASY-LBPRGKRZSA-N 249.785 3.969 30 20 BHED C=CCC[C@H](N[C@H]1CC[C@@H](SC)C1)C1CC1 133960953 PLWUBHOHIJNINU-MJBXVCDLSA-N 239.428 3.605 30 20 BHED CC#CCCCC(=O)N(CC)c1ccccc1C 185159332 HYAFNVLKEKJYFS-UHFFFAOYSA-N 243.350 3.542 30 20 BHED C=CCCCCCO[C@@H]1CCCc2c[nH]nc21 195410367 YRKTXCLRUZCHFY-CYBMUJFWSA-N 234.343 3.550 30 20 BHED CC(C)CN(CCC#N)CCCCC(C)(C)C#N 232581752 RKSQPOYEIBLUMM-UHFFFAOYSA-N 249.402 3.578 30 20 BHED CCCC[C@@H](Nc1cccc(C#N)n1)C1CCC1 301864729 UUUKJUVHAKNRKH-CQSZACIVSA-N 243.354 3.724 30 20 BHED N#CC1(COc2c(Cl)cccc2Cl)CC1 334947976 UZHUGVMDTIHEPO-UHFFFAOYSA-N 242.105 3.676 30 20 BHED CSc1ccccc1N[C@H]1CC[C@H](C#N)C1 335604830 RVFUAYBUTLTMRF-QWRGUYRKSA-N 232.352 3.513 30 20 BHED C=CCC(C)(C)c1noc(CSCCC)n1 340783013 XIPYWPKBCIDHRF-UHFFFAOYSA-N 240.372 3.567 30 20 BHED CC(C)CC1(C)CCN(CCCCC#N)CC1 343961659 JPLHRMPNFOFAFG-UHFFFAOYSA-N 236.403 3.828 30 20 BHED Cc1cccc(N[C@H]2CC[C@H](C#N)C2)c1Cl 381540613 HRQXJNFEIRTDAN-QWRGUYRKSA-N 234.730 3.753 30 20 BHED N#CCCSCCCc1ccc(Cl)cc1 413011360 JBEACMDKYJXWMU-UHFFFAOYSA-N 239.771 3.919 30 20 BHED C=CCC[C@@H](CCC)N[C@@H]1C[C@H]1c1ccco1 414333819 HXDBLSOTFKHLPA-MGPQQGTHSA-N 233.355 3.860 30 20 BHED CC[C@H](NC[C@H](C)CC)c1ccc(C#N)cc1 421892180 WJWHBAKUBQEDTR-DOMZBBRYSA-N 230.355 3.645 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H](CC)C1 424685172 ONNVMUSFCFKLKR-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=CCN(CCC#N)Cc1ccc(Cl)c(C)c1 430089711 LCUUHPWSGDSMKJ-UHFFFAOYSA-N 248.757 3.550 30 20 BHED C=CC[C@H](C)N[C@H](C)Cc1coc2ccccc12 449148972 LUKMBQHSONLMBF-QWHCGFSZSA-N 243.350 3.918 30 20 BHED C=CCC1(C(=O)N(C)[C@H](C)C(C)C)CCCC1 459954109 OPNXUHOEUCOGSY-CYBMUJFWSA-N 237.387 3.626 30 20 BHED C=CCOc1cccc(CN[C@@H](CC)CC=C)c1 466399880 RSBCLUUCUWKSKL-HNNXBMFYSA-N 245.366 3.696 30 20 BHED C=CCCCCN[C@H]1CCc2c(OC)cccc21 471598407 WTTFMPODEOAPNG-HNNXBMFYSA-N 245.366 3.628 30 20 BHED C=CC[C@@H](C)NC(=O)Nc1ccc(/C=C/C)cc1 497365160 IBNXVVWSCVMPIF-HOSRBBHYSA-N 244.338 3.806 30 20 BHED C=CC[C@H]1N(CCCCF)CCCC1(C)C 510782128 UZRGLHKLHWDLPC-CYBMUJFWSA-N 227.367 3.803 30 20 BHED CC(C)(C#N)CCN(CC1CCCCC1)C1CC1 534219332 FSWNKXMDJMQQIR-UHFFFAOYSA-N 248.414 3.971 30 20 BHED CC(C)(C#N)CCN1CC(C)(C)CC(C)(C)C1 547345114 RFZXUPXGKLINIL-UHFFFAOYSA-N 236.403 3.684 30 20 BHED CC[C@H](c1ccc(Cl)cc1)N1CC(C)(C#N)C1 565342446 ZRJPGDUEUOVDSA-CYBMUJFWSA-N 248.757 3.637 30 20 BHED C=CCC[C@@H](CCC)NC1(CF)CCC1 570164232 MBKLKCWHIZEGJP-GFCCVEGCSA-N 213.340 3.603 30 20 BHED C[C@H](CCC#N)CNCCCCc1ccccc1 602505327 ZYPYFOYZYSBWDO-OAHLLOKOSA-N 244.382 3.539 30 20 BHED Cc1ccnc(NN=C2C[C@@H](C)C[C@H](C)C2)c1 747763839 HJHZRIZHWPVEDV-RYUDHWBXSA-N 231.343 3.614 30 20 BHED CC1(CC(=O)OCC2(CC#N)CC2)CCCCC1 753558022 MIBPTKSLZYBICH-UHFFFAOYSA-N 249.354 3.584 30 20 BHED Cc1ccc(NN=Cc2cccc3[nH]ccc23)cc1 755465457 IPLBRUNLQNXJOQ-UHFFFAOYSA-N 249.317 3.922 30 20 BHED COCCC(=NNc1cc(C)cc(C)c1)C(C)C 756824421 RGUFHUNHGHSJQK-UHFFFAOYSA-N 248.370 3.764 30 20 BHED COc1cccc(/C=C2\CCCC(C)(C)C2=O)c1 757533669 HKMDNBBGEFECDI-JLHYYAGUSA-N 244.334 3.858 30 20 BHED C#CCCCC(=O)N(c1ccccc1C)C(C)C 758301917 LUFJNCLWKAXGQK-UHFFFAOYSA-N 243.350 3.540 30 20 BHED C[C@@H]1C[C@H]1C=NNc1cccc(Cl)c1F 758375020 NGCAIAJICIRMOB-SFYZADRCSA-N 226.682 3.533 30 20 BHED CC(CCc1ccc(C)cc1)=NOCC(F)F 758906469 HXDBVDFQXQWPHT-UHFFFAOYSA-N 241.281 3.585 30 20 BHED C#CCCCN(CCC)Cc1ccc(C)cc1 766895795 IGHXDXMXTBVYRB-UHFFFAOYSA-N 229.367 3.620 30 20 BHED Cc1ccoc1C(=O)/C=C/c1cccc(F)c1F 769784508 XRXVVJGHZFINCI-AATRIKPKSA-N 248.228 3.762 30 20 BHED C=CCCN(C)C(=O)c1ccc([C@@H](C)CC)cc1 786224642 ZAXQPJZOCWLQGY-ZDUSSCGKSA-N 245.366 3.848 30 20 BHED C#C[C@@H](CCC)NC(=O)CCCCCC(C)C 791740023 DBSQVUFOIYIFGQ-AWEZNQCLSA-N 237.387 3.511 30 20 BHED CC(=NNc1cccc(F)n1)C1CCCCC1 795007183 TYKBUYZVJUPOTA-UHFFFAOYSA-N 235.306 3.589 30 20 BHED CCCCCCCOC(=O)[C@H]1CCC(F)(F)C1 796377369 UTSKZQZTCBYXGQ-NSHDSACASA-N 248.313 3.935 30 20 BHED CC(C)C[C@H](C)C=NNc1nc2ccccc2[nH]1 799104361 PBNOJTMGVHRBHX-NSHDSACASA-N 244.342 3.643 30 20 BHED C#C[C@H](NCc1cccc(SCC)c1)C(C)C 809685727 NHCSLHGFFYTCEI-HNNXBMFYSA-N 247.407 3.546 30 20 BHED C=CCCCCCCNC(=O)[C@@H](C)C(C)(F)F 816661388 MDSAPIQMXXLLBW-LLVKDONJSA-N 247.329 3.530 30 20 BHED C=C[C@@H](C)ON=C1CC(c2ccccc2)C1 844625054 KRUWIXMIBCYKSA-JTDNENJMSA-N 215.296 3.511 30 20 BHED CCCCCCCCN1Cc2ccncc2C1 857876813 VJAFRHXOJYZUDI-UHFFFAOYSA-N 232.371 3.758 30 20 BHED C=CC(C)(C)CC(=O)N1CCC[C@H]1CC(C)C 878566199 UZKGXONCJORVEK-ZDUSSCGKSA-N 237.387 3.626 30 20 BHED C=CCC[C@@H](CC)N[C@H](c1ccncc1)C1CC1 898322407 KUAGTFAZRYAARV-CVEARBPZSA-N 244.382 3.867 30 20 BHED Cc1ccc2c(c1)[C@@H](NCC(C)(C)C#N)CCC2 903100478 PUMPZQVXRDOSTK-HNNXBMFYSA-N 242.366 3.512 30 20 BHED CCCCC(=O)OCCCCC1(C#N)CCC1 908701546 CEGLMSJZCXUOCX-UHFFFAOYSA-N 237.343 3.584 30 20 BHED CC[C@H]1CCC[C@H]1CNc1snc(C)c1C#N 1458385940 VAPQEJLTXPPJPY-QWRGUYRKSA-N 249.383 3.561 30 20 BHED CCC[C@]1(C)CCCN(C[C@H](C)CCC#N)C1 1663893216 MASOZQPYGRZGKX-HUUCEWRRSA-N 236.403 3.828 30 20 BHED C[C@H](Nc1ccc(C#N)cc1)c1ccccc1 19950966 OVXPWNRFJVWJSK-LBPRGKRZSA-N 222.291 3.731 30 20 BHED CCc1ccc(NCc2cccc(C#N)c2)cc1 19955185 YAMHVDCBSFYTFG-UHFFFAOYSA-N 236.318 3.733 30 20 BHED CCC[C@@]1(C)CCCN(CCCCC#N)C1 76145940 MOONMTPFDCOFRH-AWEZNQCLSA-N 222.376 3.582 30 20 BHED C=CCN1CCCC[C@H]1c1cc2ccccc2[nH]1 108386178 IUECPPLQYDJJDN-INIZCTEOSA-N 240.350 3.881 30 20 BHED CCC[C@@H](CC)Nc1c(F)cc(C#N)cc1F 111144152 YOEPHPFUVPTDHD-SNVBAGLBSA-N 238.281 3.827 30 20 BHED C=CC[C@@H](C)N[C@H](C)CCc1ccccc1 116907735 DFNAMXKNKSJHHN-ZIAGYGMSSA-N 217.356 3.562 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H](C)c1ccccc1 131471640 IMCFPGMYVYZUJI-UONOGXRCSA-N 245.366 3.651 30 20 BHED C=CCCCC[C@H](C)NCc1ccco1 131926111 PHKFRIFSRTYWOH-LBPRGKRZSA-N 207.317 3.504 30 20 BHED C=CCN[C@H](C)c1nc(-c2ccccc2)cs1 159839889 SKKUIWGCGJSMEG-LLVKDONJSA-N 244.363 3.647 30 20 BHED N#Cc1ccccc1SCc1ccccc1F 172681171 CPSVMKBQLZKIOS-UHFFFAOYSA-N 243.306 3.990 30 20 BHED Cc1cncc(CSc2cccc(C#N)c2)c1 189855210 QWNABDJTKZBMHQ-UHFFFAOYSA-N 240.331 3.554 30 20 BHED O=C(/C=C\c1cccnc1Cl)c1cccs1 255712346 OVABQWNAWCPHLF-WAYWQWQTSA-N 249.722 3.693 30 20 BHED CC(C)[C@H]1C[C@@H](NCCCC#N)c2ccccc21 278888337 YKWKNKIMXNKOJJ-HZPDHXFCSA-N 242.366 3.764 30 20 BHED C=CCN(CC=C)CCc1ccccc1Cl 303251105 NGDUOZNIHFKPPV-UHFFFAOYSA-N 235.758 3.557 30 20 BHED C=CCC(C)(C)c1noc([C@@H](CC)SC)n1 340793035 FWXHSJBAMSPBOQ-SECBINFHSA-N 240.372 3.737 30 20 BHED C=CC[C@@H](CC)N[C@H](C)CC1CCCC1 380000897 MTPRSBKIRWBHCD-TZMCWYRMSA-N 209.377 3.900 30 20 BHED C=CCCCCCCNC(=O)c1ccc(F)cc1 380733050 IXXDCYFETPYUGF-UHFFFAOYSA-N 249.329 3.692 30 20 BHED C=CCC[C@@H](CC)NC1CC(C(F)(F)F)C1 381536889 FZGGHWBHFHYWGU-HSOILSAZSA-N 235.293 3.662 30 20 BHED CC[C@@H](Nc1cccc(CC#N)c1)[C@H]1CC1(C)C 397608474 BIPQRKLPQKMDBO-HUUCEWRRSA-N 242.366 3.989 30 20 BHED N#CCCCCSCC1=CCCCC1 419570476 DBUSPBAXHYBZJI-UHFFFAOYSA-N 209.358 3.914 30 20 BHED C=C(C)C(C)(C)c1nc(-c2cccc(F)c2)no1 424226247 XBJGTXKRJPULFH-UHFFFAOYSA-N 246.285 3.729 30 20 BHED C=CCC[C@H](C)NC[C@H]1CSc2ccccc21 449362758 KQUVAHMPVGPEJZ-STQMWFEESA-N 247.407 3.820 30 20 BHED C=CCCCC[C@@H](C)NCC(C)(C)C(C)(C)O 449716897 DFCCQVYBXCCWKF-CYBMUJFWSA-N 241.419 3.508 30 20 BHED C=CCC1(C(=O)N[C@@H]2CCC(C)(C)C2)CCCC1 450356537 WIFQBNKWAJAUFL-CYBMUJFWSA-N 249.398 3.818 30 20 BHED C=CCCCN1CCc2cc(Cl)ccc2C1 484021931 WIXRGGVCJKYNFH-UHFFFAOYSA-N 235.758 3.664 30 20 BHED C=C[C@@H]1CCCCN1Cc1ccccc1C 489446543 GWRATWVQCHJTNK-OAHLLOKOSA-N 215.340 3.536 30 20 BHED CC(C)(C)CCN[C@H]1CCc2ccc(C#N)cc21 554989211 YKUBAOKTZBVFAL-HNNXBMFYSA-N 242.366 3.571 30 20 BHED C=CCCC(=O)Nc1ccc(CC)c(Cl)c1 567133091 PZBFSEBDJASBKX-UHFFFAOYSA-N 237.730 3.807 30 20 BHED C=CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 671812507 CZEYNNDTKVCHSR-RRFJBIMHSA-N 249.398 3.627 30 20 BHED C=CCCN(c1ccc(OC)c(F)c1)C(C)C 739912685 QVIYRAYBFITIFQ-UHFFFAOYSA-N 237.318 3.625 30 20 BHED C=C(Cl)CN(CC)Cc1ccc(Cl)cc1 746654299 YQSFUUUZEPMUIV-UHFFFAOYSA-N 244.165 3.914 30 20 BHED CC(C)(C)C=NNc1nccc2sccc12 755651059 QDAAZJGOUGQQIU-UHFFFAOYSA-N 233.340 3.740 30 20 BHED C=CC[C@H](C)N[C@H]1C[C@H](C)c2c(F)ccc(O)c21 756713896 WGXXQBUILRSSBQ-NHCYSSNCSA-N 249.329 3.634 30 20 BHED CCC(CC)[C@@H](C)C(=O)Oc1ccc(C#N)cc1 761458098 DVLSJFWQWKTJGW-LLVKDONJSA-N 245.322 3.536 30 20 BHED C#Cc1cccc(NC(=O)[C@H](CCC)C(C)C)c1 763531320 PDNNKZLVMSLHMO-OAHLLOKOSA-N 243.350 3.679 30 20 BHED C=CCCCC(=O)OCc1ccc(C)c(F)c1 766300649 ZRVLBLZAPJHVJD-UHFFFAOYSA-N 236.286 3.534 30 20 BHED C=CCN(C(=O)C1CCC(C)(C)CC1)C(C)C 768918296 IJQABMAPZRAGDY-UHFFFAOYSA-N 237.387 3.626 30 20 BHED C#CC[C@H](N[C@@H](C)[C@@H](C)CC=C)c1ccccc1 773114663 JLADBSOLCFRBKQ-ZOBUZTSGSA-N 241.378 3.941 30 20 BHED CCCC(CC)=NNCc1ccc(F)c(F)c1 776185065 DNGFVEYMNDDHLG-UHFFFAOYSA-N 240.297 3.621 30 20 BHED C=CCN(Cc1cc(F)ccc1C)C(C)C 778996889 VNKAAPGPVKOZGL-UHFFFAOYSA-N 221.319 3.531 30 20 BHED CC1=CCC[C@H](C)[C@@H]1C=NNc1ccnc(F)c1 781134196 VRNDNDBXGNNRII-WCQYABFASA-N 247.317 3.611 30 20 BHED C=CCN(Cc1cc(Cl)cs1)C(C)C 787101064 KPMKPKYESGWCIH-UHFFFAOYSA-N 229.776 3.798 30 20 BHED CCCCCCCCn1c(Cl)cccc1=O 790509198 VQUWVXKOEOEWEA-UHFFFAOYSA-N 241.762 3.862 30 20 BHED CCCCC=NNc1ccc(Cl)cc1 793005162 LJULBKSEOWTEGD-UHFFFAOYSA-N 210.708 3.928 30 20 BHED C=CCC(C)(C)C(=O)Oc1cccc(C)c1C 796733412 VHDPSXLSQXDQTA-UHFFFAOYSA-N 232.323 3.811 30 20 BHED CCC(CC)CNN=C1CCC[C@@H]1CCCF 800815493 BDBJRLQIQQQFQV-CYBMUJFWSA-N 242.382 3.918 30 20 BHED CC(C)c1nccnc1NN=C[C@H](C)C(C)(C)C 800816989 SWHSKCRSPCZQHJ-NSHDSACASA-N 248.374 3.680 30 20 BHED Cc1ccccc1[C@@H](C)SCCO[C@H](C)C#N 802753331 YRBWOASLMBIJGC-CHWSQXEVSA-N 249.379 3.718 30 20 BHED C=C(Cl)COC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 805783721 YQWKAQAVUOEJJF-GHMZBOCLSA-N 242.746 3.521 30 20 BHED C=C[C@@H](C)ON=C(C)[C@H](C)c1ccc(OC)cc1 844622105 URXYXKITNDIIAO-NEPJUHHUSA-N 247.338 3.766 30 20 BHED C[C@@H]1CC[C@H](C=NNc2ccnc(Cl)c2)C1 853394896 CIAYNSASNCXXAK-ZJUUUORDSA-N 237.734 3.569 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H](F)c1ccccc1 856373982 HSMIRSPTLZZJOD-CYBMUJFWSA-N 249.329 3.558 30 20 BHED CC1(C)CCC/C(=C\c2ccncc2Cl)C1=O 863187114 XZNJCHFGPLFICB-DHZHZOJOSA-N 249.741 3.898 30 20 BHED CCCCC=NNc1ccc2ccccc2n1 864372383 PGDZRMPIYPJVIW-UHFFFAOYSA-N 227.311 3.823 30 20 BHED N#CCc1ccc(NC2CC3(CCCC3)C2)cc1 893575962 MEEDZHBIGARDCY-UHFFFAOYSA-N 240.350 3.887 30 20 BHED C=C1CCC(C(=O)N2CCC[C@H]2C2CCC2)CC1 896147214 WEQPDOADCSWCPO-HNNXBMFYSA-N 247.382 3.524 30 20 BHED C=C1CC(c2noc(-c3cscc3C)n2)C1 896883697 SNIXOWOBMZDORY-UHFFFAOYSA-N 232.308 3.540 30 20 BHED CCC(C)=NNc1ncc(Cl)cc1Cl 916316936 QCBIYKZFIZKGFV-UHFFFAOYSA-N 232.114 3.586 30 20 BHED CCCCCCCCC(=O)OCc1ccccn1 919222032 CLXGBLUOQJAKDY-UHFFFAOYSA-N 249.354 3.875 30 20 BHED CCC(C=NNc1cccc(F)c1)CC 920383797 LDSRKPXHVIPVEU-UHFFFAOYSA-N 208.280 3.660 30 20 BHED CCN(CCC(C)(C)C#N)c1ccc(F)c(C)c1 1308058232 GQGWARCQSPJBCQ-UHFFFAOYSA-N 248.345 3.900 30 20 BHED CC(C)(C)ON=C/C=C\c1ccc(F)c(F)c1 1327841211 BONLWONIDWWKAW-VZUDTPMUSA-N 239.265 3.779 30 20 BHED C=C(CC)C(=O)N(Cc1cccc(F)c1)C(C)C 1527487921 JQEBBVUEFBBZAS-UHFFFAOYSA-N 249.329 3.529 30 20 BHED CCN(CCC#N)C[C@H](C)CC1CCCCC1 1652100694 OVDBIELYPZDHMW-CQSZACIVSA-N 236.403 3.828 30 20 BHED Cc1ccc(F)c(NCc2ccccc2C#N)c1 20361485 LLSUBAFYINTSCB-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CCCOc1ccccc1OCC1(CC#N)CC1 88272076 ALTIFUICKMYEHH-UHFFFAOYSA-N 245.322 3.548 30 20 BHED CCCCCCC[C@@H](C)NCc1nccs1 104242684 IGZXHZKGDNFATK-GFCCVEGCSA-N 240.416 3.982 30 20 BHED N#CCN1CCCCC[C@@H]1c1ccc(Cl)cc1 117346549 ABUBXKCNBNLWTA-CQSZACIVSA-N 248.757 3.781 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1ccco1 133084945 SPOJOKMRLJHALY-NWDGAFQWSA-N 207.317 3.675 30 20 BHED C=C[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N 133215424 SRABCGIVERKAEL-MRVPVSSYSA-N 240.228 3.563 30 20 BHED CC(C)COc1ccc(C(F)(F)F)c(C#N)c1 164489953 KOPSCLTVSKSQNV-UHFFFAOYSA-N 243.228 3.612 30 20 BHED C=C(C)CN[C@@H](C)C(C)(C)c1ccccc1 181801297 WGBHOWIDKHWOBA-ZDUSSCGKSA-N 217.356 3.518 30 20 BHED C=CCCN(C)C(=O)[C@@H](CCC)c1ccccc1 276462290 WATUNMXPHQEKJD-HNNXBMFYSA-N 245.366 3.605 30 20 BHED CCN(Cc1ccccc1C)[C@@H]1CC[C@@H](C#N)C1 278627938 NYNANJDAPVSCOJ-GDBMZVCRSA-N 242.366 3.509 30 20 BHED CCCC[C@H]1CCC[C@H]1Nc1ncccc1C#N 301158123 OEEWAUKGWLVDOJ-GXTWGEPZSA-N 243.354 3.724 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1cccc(F)c1 310042712 ZPRQTBCPFAMIPA-BXUZGUMPSA-N 221.319 3.831 30 20 BHED C=CCCN(Cc1ccccc1C)C1CC1 338546168 KPIZIZAXGPOXBH-UHFFFAOYSA-N 215.340 3.536 30 20 BHED C=C(CC)CN(C1CC1)[C@@H](C)c1ccco1 358637734 XAHDKWXCNBKSGN-LBPRGKRZSA-N 219.328 3.771 30 20 BHED Cl/C=C/CON=Cc1cscc1Cl 379370738 GRASLCGAIZPCJT-VKJPGEBCSA-N 236.123 3.505 30 20 BHED CC[C@@H](NCC(C)(C)CCC#N)C1CCCC1 382768016 JCZKCNGUPBSPEN-CQSZACIVSA-N 236.403 3.875 30 20 BHED C=CC(C)(C)C(=O)N[C@H](CCC)C1CCCC1 411122134 NHZJNLXNAWGMOK-CYBMUJFWSA-N 237.387 3.674 30 20 BHED Cc1ccc([C@@H](NCCCC#N)C2CCC2)cc1 427883753 FWYJHCSLVBJORL-INIZCTEOSA-N 242.366 3.730 30 20 BHED COc1cccc(CSCC2(C#N)CCC2)c1 450834570 ZUFRTPRJESPEFK-UHFFFAOYSA-N 247.363 3.622 30 20 BHED CCC[C@@H](NCC(C)(C)CC#N)C1CCCC1 459732822 PMLKOGMLPBOOLQ-CQSZACIVSA-N 236.403 3.875 30 20 BHED C=CCCN(C)[C@@H]1CCCc2ccc(F)cc21 467284302 PVEFAIQBKIZWHM-OAHLLOKOSA-N 233.330 3.711 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ncccc1CC 467414953 XGGVMJWBNLDZNE-TZMCWYRMSA-N 232.371 3.649 30 20 BHED C=CCC(CC=C)C(=O)NCCC1CCCCC1 467819568 RAQCKLLRQBEWRF-UHFFFAOYSA-N 249.398 3.841 30 20 BHED CC(C)[C@@H]1CCC[C@@H](Nc2cc(C#N)ccn2)C1 553033724 HAEQSZXZOZQSFG-ZIAGYGMSSA-N 243.354 3.580 30 20 BHED C=C(C)CCc1noc(C[C@@H]2CCC[C@H]2C)n1 558388251 LUSIKFGXADVVRZ-NEPJUHHUSA-N 234.343 3.557 30 20 BHED CC[C@H](CC#N)N[C@@H]1CCc2c(Cl)cccc21 568181592 XUDVMUMQIAMNQP-QMTHXVAHSA-N 248.757 3.609 30 20 BHED N#CC1(CS[C@H]2CCc3ccccc3C2)CC1 572542510 DDSNQEADUXUBTN-AWEZNQCLSA-N 243.375 3.581 30 20 BHED C=CCC(C)(C)c1noc(-c2cc(C)c(C)o2)n1 579503217 HOKAUNCXFWBABB-UHFFFAOYSA-N 246.310 3.800 30 20 BHED CC1(C)C[C@]1(NCCCCC#N)c1ccccc1 595908297 GVVWLTSPQSKUOR-INIZCTEOSA-N 242.366 3.595 30 20 BHED N#CCC1(COc2cccc3c2CCCC3)CC1 596262379 SFJUSLCUQQCZRB-UHFFFAOYSA-N 241.334 3.638 30 20 BHED CC[C@H](CSCCCC#N)CC(F)F 596396044 PBBMWSDCLPKLPV-VIFPVBQESA-N 221.316 3.705 30 20 BHED C=CCCC(=O)N(CCC)c1ccccc1F 637520361 GYGYJHZWBRHNPV-UHFFFAOYSA-N 235.302 3.535 30 20 BHED Fc1ccc2c(c1)CCC2=NNc1ccccc1 734295743 JJEKEWAPBUMPHO-UHFFFAOYSA-N 240.281 3.588 30 20 BHED CCCC(C)=NNc1cc(F)c(F)cc1F 734302860 SEHSIVPSGKJLGH-UHFFFAOYSA-N 230.233 3.692 30 20 BHED C[C@H]1CCC[C@H](CCON=C2CCC2)C1 756875328 WRGJDNPUTTWCBF-NWDGAFQWSA-N 209.333 3.759 30 20 BHED CC/C(C)=C(\C)C(=O)Oc1ccc(C#N)c(C)c1 765113145 MDBPQTCAMVWQOJ-ZRDIBKRKSA-N 243.306 3.519 30 20 BHED C[C@@H]1CC(C)(C)CC1=NN[C@@H]1C[C@H]2CC[C@H]1C2 766029243 KBDLOOAWLXXHRZ-MROQNXINSA-N 234.387 3.577 30 20 BHED C#CCCCSc1ncnc2sc(C)cc12 766737043 HPXOEYOAPZQAND-UHFFFAOYSA-N 248.376 3.505 30 20 BHED CC(C)CC(CC(C)C)=NNCC(F)(F)F 769813398 FJVQILYJXMFDLG-UHFFFAOYSA-N 238.297 3.587 30 20 BHED C=C(CC)COC(=O)c1cccc(Cl)c1F 773535679 NWQAENZQIFSTQK-UHFFFAOYSA-N 242.677 3.602 30 20 BHED CCC(CC)NN=C(CC(C)(C)C)C1CC1 787158556 VAHDPTZUOAYAPX-UHFFFAOYSA-N 224.392 3.967 30 20 BHED CC(=NNc1ncccc1C)c1ccc(C)s1 790192898 JKTGNUWMOZCAKD-UHFFFAOYSA-N 245.351 3.596 30 20 BHED Cc1ncccc1/C=C1/C(=O)c2ccccc2[C@@H]1C 809158114 XZEMDTLMYCJAFE-YAFRSCOQSA-N 249.313 3.773 30 20 BHED FC(F)(F)[C@@H]1CCCC(=NOC2CCC2)C1 812235386 UQFHGZZDHMSXPS-MRVPVSSYSA-N 235.249 3.664 30 20 BHED C=CCC1(C(=O)OCCC(C)(F)F)CCCC1 835381515 MNVJEADIEGZLDN-UHFFFAOYSA-N 246.297 3.711 30 20 BHED C=CCCCCSCc1ncc(Cl)n1C 842174326 HERZCGLEEUUDQF-UHFFFAOYSA-N 244.791 3.663 30 20 BHED C=C[C@@H](C)ON=C1CCC[C@@H](C2CC2)C1 844621809 NJWXLKZVCGOKPC-ZYHUDNBSSA-N 207.317 3.534 30 20 BHED Clc1ccc(Cl)c(CON=CC2CC2)c1 853734700 HHFPDMBOCNHRFY-UHFFFAOYSA-N 244.121 3.906 30 20 BHED C=CCCCC(=O)Nc1ccc(O)c(C(C)C)c1 882656488 UTZAVKMYFFAULJ-UHFFFAOYSA-N 247.338 3.810 30 20 BHED CC[C@@H](NC[C@@H]1C=CCC1)c1ccc(C#N)cc1 883246057 ZCQPXYKKESZCIK-GDBMZVCRSA-N 240.350 3.565 30 20 BHED CCCCCCCC(=O)N[C@H](C)CCC 935888703 TVQINNTYKIKVGW-GFCCVEGCSA-N 213.365 3.652 30 20 BHED C=CCN[C@@H](C)c1ccc(C(F)(F)F)cc1 19876034 MNHISNWDRNHZDR-VIFPVBQESA-N 229.245 3.542 30 20 BHED CCCC1CCC(Nc2cc(C#N)ccn2)CC1 49546194 SSWNTCIKWUITIQ-UHFFFAOYSA-N 243.354 3.724 30 20 BHED C=C[C@H](O)c1ccc(-c2ccccc2)cc1 83813502 APDSCJVKWOBAFZ-HNNXBMFYSA-N 210.276 3.573 30 20 BHED CN(CCCC(C)(C)C#N)CC1CCCCC1 87608564 IIJQGAGRQQSYCQ-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C[C@@H]1CC[C@H](NCc2cc(C#N)cs2)[C@H](C)C1 93492644 ARKIKTNOPDBKBK-GYSYKLTISA-N 248.395 3.534 30 20 BHED C=C[C@H](C)N[C@H]1C[C@H](C)c2c(C)cccc21 127890765 PVJKSTDMBWASLD-OBJOEFQTSA-N 215.340 3.707 30 20 BHED C=C(Cl)CN[C@H]1CCc2ccc(Cl)cc21 129774015 OJWFCYUGDLQPSX-LBPRGKRZSA-N 242.149 3.669 30 20 BHED C=C[C@H](C)N[C@H](CCC)c1cccc([N+](=O)[O-])c1 132679875 DYPGQRKGEDSDIA-SMDDNHRTSA-N 248.326 3.600 30 20 BHED C=CC[C@@H](C)NCc1ccc(C(F)F)cc1 169124769 VGXRMJCYQIVLAX-SNVBAGLBSA-N 225.282 3.678 30 20 BHED C=CCCCC(=O)Nc1cc(C)ccc1C 177452948 BNXVQYWRAVVAMB-UHFFFAOYSA-N 217.312 3.598 30 20 BHED C=CCCN1CCC(Cc2ccc(F)cc2)CC1 202357823 YSQZGVSSPMQWGH-UHFFFAOYSA-N 247.357 3.656 30 20 BHED CCCCC[C@@H](C)NCC(C)(C)CCC#N 229674191 NYSOTVCJEFRYKK-CYBMUJFWSA-N 224.392 3.875 30 20 BHED CC(C)[C@@H](CNCC(C)(C)C#N)c1ccccc1 232700181 RRDXSAHLYPEZRL-OAHLLOKOSA-N 244.382 3.566 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@H](C)c1ccccc1 293755209 KWOIVBNSYGBFGK-ZDUSSCGKSA-N 245.366 3.509 30 20 BHED CCCCCSc1nc(Cl)c(C#N)s1 308525418 ISLFUJRWLFWIAQ-UHFFFAOYSA-N 246.788 3.950 30 20 BHED C=CCC[C@H](CC)N[C@H](C1CC1)C(F)(F)F 310003593 FSCGAIDVVGSPQB-WDEREUQCSA-N 235.293 3.662 30 20 BHED C=C(C)CCc1noc([C@@H]2C[C@@]2(C)C(C)C)n1 347277533 ZIMQNXCCNKHUGM-FZMZJTMJSA-N 234.343 3.728 30 20 BHED Cc1cc(COc2cccc(C#N)c2)c(C)s1 357387884 GVGTZFBLKFASNF-UHFFFAOYSA-N 243.331 3.816 30 20 BHED CCN(CC#N)[C@H](C)c1ccc(C(C)C)cc1 411211043 HEUUQTDEHMMLJW-CYBMUJFWSA-N 230.355 3.716 30 20 BHED C[C@@H](c1cccc(C#N)c1)N(C)CCCCCF 425542039 XSACVXRFLXPGBU-ZDUSSCGKSA-N 248.345 3.691 30 20 BHED CCCc1ccccc1N[C@H]1CC[C@@H](C#N)C1 442867082 NRPJYDCTCBBVAL-OCCSQVGLSA-N 228.339 3.743 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CC12CCCCC2 488811443 COLRONSXHRXEJD-KGLIPLIRSA-N 247.382 3.524 30 20 BHED C=C1CCN([C@@H](CC)c2ccc(F)cc2)CC1 524597877 VGJBVOZSKFDMER-HNNXBMFYSA-N 233.330 3.929 30 20 BHED C[C@@H](C1CCCCC1)N(C)CCC(C)(C)C#N 548929359 SGEIKNALCUFERF-ZDUSSCGKSA-N 236.403 3.827 30 20 BHED C=C[C@@H](CC(=O)N(C)C(C)(C)C)c1ccccc1 567939826 AIRUPUQPYNNUNM-ZDUSSCGKSA-N 245.366 3.603 30 20 BHED C[C@@H](CCC#N)CNCC[C@@H](C)c1ccccc1 602527465 QXYYOSOMYWKZKI-LSDHHAIUSA-N 244.382 3.710 30 20 BHED C=CCCN(C)[C@H](CC)c1ccc(F)cc1 606897029 HBQNXUNRYGJIPU-CQSZACIVSA-N 221.319 3.785 30 20 BHED CC(C)(C#N)CCSCCCOC(C)(C)C 616303759 YTKRYQNKFBIBPR-UHFFFAOYSA-N 243.416 3.865 30 20 BHED C=CC[C@H](CC)NC(=O)Nc1csc(C)c1 640642106 DAGQHUGNROWZDO-JTQLQIEISA-N 238.356 3.533 30 20 BHED C=CCCCC[C@@H](C)NC[C@H](C)c1ccncc1 648466286 JHIGKXVHORWOMI-LSDHHAIUSA-N 246.398 3.910 30 20 BHED C=C(C)CN1CCC[C@H]1c1ccc(OC)c(F)c1 661661028 MBPCSVHRSQGSLC-AWEZNQCLSA-N 249.329 3.547 30 20 BHED C=CCCCCN1CC(C)(C)[C@H]1c1cccnc1 664818668 IKKSXSYYSNPCMQ-OAHLLOKOSA-N 244.382 3.821 30 20 BHED C=CCC1(N[C@@H](C)CCC(C)C)CCOCC1 668551904 ZPTNVFRAHWTRRR-AWEZNQCLSA-N 239.403 3.526 30 20 BHED C=C(C)CN(Cc1ccccc1)c1nccs1 746478523 CHIABWIWZSUDDI-UHFFFAOYSA-N 244.363 3.726 30 20 BHED C#CC[C@H](Nc1cc(C)ccn1)c1ccccc1 756953986 VNEWHWIEMMOQPS-HNNXBMFYSA-N 236.318 3.567 30 20 BHED N#Cc1cccc(SCCCCCCCO)c1 759056530 VYQUTDXWMKRPTI-UHFFFAOYSA-N 249.379 3.593 30 20 BHED CCCCC(=NOCC)c1ccccc1 767469138 KNCSVNNOZXTEPR-UHFFFAOYSA-N 205.301 3.617 30 20 BHED CC[C@@H]1C[C@@H](C)CCC1=NNC1CCCC1 769573133 AMEAPQUQKZDBSL-NWDGAFQWSA-N 222.376 3.721 30 20 BHED C=C(C)CN(C)C(=O)[C@H](C)CCCCCC 778121367 JPOZUXLXPOWOGO-CYBMUJFWSA-N 225.376 3.627 30 20 BHED C=CC[C@H](CC)NC(=O)/C=C(/C)c1ccccc1 798554331 OGDHHRRIOYJKIR-LLNWESEBSA-N 243.350 3.561 30 20 BHED CC(C)CNN=C1CCC2(CCCC2)CC1 811646543 CPZHCDZBAYUYQI-UHFFFAOYSA-N 222.376 3.722 30 20 BHED CC(C)[C@H]1CCCC(=NOC2CCC2)C1 812235448 HAPGBYVXONDLFS-NSHDSACASA-N 209.333 3.758 30 20 BHED CC(=NOCCC1CC1)c1cccc(F)c1F 814246562 RWFGPQRDLBTXED-UHFFFAOYSA-N 239.265 3.506 30 20 BHED CC[C@@H](C=NOCC1CC1)c1ccccc1 814941453 YAAPJKXDHFDMBU-ZDUSSCGKSA-N 217.312 3.593 30 20 BHED CC(=NOC(C)C)c1c(C)oc2ccccc12 835001779 JYJNRGOUUQRISU-UHFFFAOYSA-N 231.295 3.890 30 20 BHED C=CCC1(NC(=O)/C(=C/C)CC)CCCCC1 836957793 YHNNTNQZXSDAJM-WLRTZDKTSA-N 235.371 3.738 30 20 BHED CCC(=NOCCC(F)(F)F)[C@@H]1CC1(C)C 841634931 YGUSUCABOSTKED-QMMMGPOBSA-N 237.265 3.768 30 20 BHED C[C@@H]1CC[C@@H](OC(=O)CC2(C#N)CCCCC2)C1 849906999 OOIVTPXJWYYBLJ-CHWSQXEVSA-N 249.354 3.582 30 20 BHED C[C@H]1CC[C@H](C=NNc2ccnc(Cl)c2)C1 853394894 CIAYNSASNCXXAK-UWVGGRQHSA-N 237.734 3.569 30 20 BHED C=CCCC(C)(C)NC(=O)C(F)=C1CCCC1 856374247 UAPSOVRXQPTPTN-UHFFFAOYSA-N 239.334 3.645 30 20 BHED CC[C@@H](NCC1CC=CC1)c1cccc(C#N)c1 903063795 IKQRPUBJYMTJSN-MRXNPFEDSA-N 240.350 3.565 30 20 BHED C=C(C)CNC(=S)Nc1ccccc1CCC 914774220 NGBYKYYTSKHOMZ-UHFFFAOYSA-N 248.395 3.502 30 20 BHED CCCCC(C)=NNc1cccc([N+](=O)[O-])c1 916269136 TUWBNNGKQYXNKT-UHFFFAOYSA-N 235.287 3.573 30 20 BHED C=CCCCCN(C)[C@H]1CC[C@@H](SC)C1 1324487575 XYJMSZKFGKBLSV-QWHCGFSZSA-N 227.417 3.559 30 20 BHED CC(C)CC(C)(C)CNc1cccc(CC#N)n1 1325951446 JRUHKFFUTKDFGT-UHFFFAOYSA-N 245.370 3.632 30 20 BHED C=C(C)CCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 1335711450 AECHIQHPEACUOO-RRFJBIMHSA-N 249.398 3.770 30 20 BHED C=C(C)CSCc1cccc(OC)c1 34317138 MJICCBUNDVYJOD-UHFFFAOYSA-N 208.326 3.505 30 20 BHED CC1(C)CC[C@H](Nc2cccc(C#N)c2)C1 87769367 WICNBPVZQNOCOS-ZDUSSCGKSA-N 214.312 3.549 30 20 BHED CCc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 88249671 ASZHBFDBPIOYSO-CYBMUJFWSA-N 242.366 3.593 30 20 BHED C=CCC(C)(C)CNC(=O)OCc1ccccc1 91692306 VFWLNFHLABDENZ-UHFFFAOYSA-N 247.338 3.515 30 20 BHED C=CCCCS[C@@H](C)C(=O)Nc1ccccc1 117944647 UCQDTRZKDOCDTD-LBPRGKRZSA-N 249.379 3.713 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccccc1C(F)(F)F 132677889 JNAIIAHNRXBPCA-UWVGGRQHSA-N 243.272 3.931 30 20 BHED C#Cc1cccc(NCCCCC(F)(F)F)c1 151597257 NFPFSHDCGYOWIO-UHFFFAOYSA-N 241.256 3.812 30 20 BHED C=CCCSCc1nc2ccccc2nc1C 172670945 FNPNVPNEIIXRGR-UHFFFAOYSA-N 244.363 3.748 30 20 BHED CC(C)CC(CC(C)C)NCCCCC#N 178645707 QVDBBKIAJJYNLE-UHFFFAOYSA-N 224.392 3.731 30 20 BHED C=CC[C@@H](C)N[C@H](CC)c1ccc(N(C)C)cc1 180950567 XKLHOAXFMIYPJJ-CZUORRHYSA-N 246.398 3.758 30 20 BHED CC[C@H](CC#N)NCc1cc2ccccc2s1 184086635 OIFGVDDITDEEHX-GFCCVEGCSA-N 244.363 3.683 30 20 BHED CCOc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 193077248 AGGMMSZFKVICHB-OLZOCXBDSA-N 244.338 3.580 30 20 BHED CCCC[C@@H](CC)CNc1nc(C)ccc1C#N 233060858 OYELKJCDHJWTIS-CYBMUJFWSA-N 245.370 3.890 30 20 BHED C[C@@H]1CCC[C@@H](CNc2cc(F)cc(C#N)c2)C1 235330875 DBYQGBLKWARKHQ-VXGBXAGGSA-N 246.329 3.936 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc(C)cc1C 292284471 IPBDOAZKYGEOKG-UHFFFAOYSA-N 231.339 3.844 30 20 BHED C=CCCCCCCN[C@@H]1C[C@H](C)n2ccnc21 294158125 QOPFNABMISCCHD-UONOGXRCSA-N 247.386 3.615 30 20 BHED C[C@@H](CC(C)(C)C)Nc1cccc(CC#N)c1 313412021 RDKFZKWJPDFXKY-LBPRGKRZSA-N 230.355 3.989 30 20 BHED Cc1ccsc1CNC1CCC(C)(C#N)CC1 336221132 GXGICMLAKNNXQI-UHFFFAOYSA-N 248.395 3.619 30 20 BHED C=CC[C@H](C)[C@@H](C)NCCCC(F)(F)F 389871020 JMEQZJOUZZUVLL-VHSXEESVSA-N 223.282 3.519 30 20 BHED CC(C)C[C@@H]1CCCN1Cc1ccc(C#N)cc1 396930798 XQRYLNHSJIBRDL-INIZCTEOSA-N 242.366 3.569 30 20 BHED CC(C)[C@H]1CCCN(CC(C)(C)CCC#N)C1 438343989 DQLMVJGEAONOJE-AWEZNQCLSA-N 236.403 3.684 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@H](CC)CCCC 466535982 KPSZOFHVIOYKRG-CHWSQXEVSA-N 225.376 3.674 30 20 BHED C=C[C@H](C)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 498766954 LGNFEFMNGACEMX-BLLLJJGKSA-N 245.341 3.926 30 20 BHED CCCC1CCC(CN(C)C[C@H](C)C#N)CC1 538306642 ZXDNJEYSSORYOJ-WLYUNCDWSA-N 236.403 3.684 30 20 BHED CCN(Cc1ccc(CC#N)cc1)[C@H](C)C(C)C 544059575 BXTJEDBFHBAZSE-CQSZACIVSA-N 244.382 3.619 30 20 BHED C=CCCCCN(Cc1cccnc1)C(C)C 579080772 OBBWQNCVGVXKOI-UHFFFAOYSA-N 232.371 3.648 30 20 BHED C[C@@H](CSCCC(C)(C)C#N)C(F)(F)F 580491982 ZGVAHMSIINGIIV-QMMMGPOBSA-N 239.306 3.858 30 20 BHED C=CCCSCCN[C@H](C)c1ccsc1 595057292 CAUUVSJTTZJJDX-LLVKDONJSA-N 241.425 3.708 30 20 BHED CC[C@H](C)n1cc(-c2cccc(F)c2C#N)cn1 600790456 KTPIYJXINDQVBX-JTQLQIEISA-N 243.285 3.532 30 20 BHED C=CCCSCc1cc(C)ccc1OC 610087543 DTVDVVIHNCXFSF-UHFFFAOYSA-N 222.353 3.813 30 20 BHED CCCCCCCCC/C=C\C(=O)NCC 726883990 QUKLDRQUHUZJRA-SEYXRHQNSA-N 225.376 3.819 30 20 BHED CON=C(CCc1ccc(Cl)cc1)C(C)C 748250216 KJFJSJUIJLIBCG-UHFFFAOYSA-N 239.746 3.931 30 20 BHED C#Cc1cccc(NC(=O)C2(CCC)CCC2)c1 759121119 KBJSFBGXXPXJCG-UHFFFAOYSA-N 241.334 3.577 30 20 BHED CCCCCCCC(=O)N(OC)[C@@H](C)CC 768899813 SIALBGOSKBEJJM-LBPRGKRZSA-N 229.364 3.535 30 20 BHED CCCCCCCCCC=Nn1ccccc1=O 776792328 QFEPEMXJRNWRLP-UHFFFAOYSA-N 248.370 3.823 30 20 BHED C[C@@H](NN=C1CCC[C@@H](C2CC2)C1)C(C)(C)C 793114831 NUWKHCJVKYVYJW-DGCLKSJQSA-N 236.403 3.967 30 20 BHED CC(C)(C)CC(=NNc1ncccc1F)C1CC1 794990094 NNXSEAKWFPVIDH-UHFFFAOYSA-N 249.333 3.835 30 20 BHED Fc1cccc(Cl)c1C=NOC/C=C/Cl 811671651 JAKUCFUSXHWJEJ-UAXPWUOOSA-N 248.084 3.582 30 20 BHED CC(=NOC1CCC1)c1cc(C)sc1C 812237006 FIGKWLZVTNAFRU-UHFFFAOYSA-N 223.341 3.658 30 20 BHED C#CCCCN[C@H](C)c1cccc(C2CC2)c1 815584547 HVONZKXSDYSCKM-CYBMUJFWSA-N 227.351 3.628 30 20 BHED CC(=NNc1ccccn1)[C@H]1CCCC[C@@H]1C 834923848 FAJGOJVXDVMFGA-AAEUAGOBSA-N 231.343 3.696 30 20 BHED C=C(Cl)CSCC1CC(F)(F)C1 842185514 GZGLTSLXZDTXOZ-UHFFFAOYSA-N 212.692 3.517 30 20 BHED C=CC[C@@H]1CCCN(c2nc(Cl)cs2)C1 858624890 MKZXSYKLYDTKMM-SECBINFHSA-N 242.775 3.589 30 20 BHED CCCCCCCC(=O)N(CC)C(C)C 917826299 YXHZDELRHKVHPB-UHFFFAOYSA-N 213.365 3.604 30 20 BHED CCCCC[C@H](C)NCc1ccc(C#N)cc1F 42570413 YBESLRZPTLUJJM-LBPRGKRZSA-N 248.345 3.756 30 20 BHED C=CCN(Cc1ccccn1)CC1CCCCC1 70015922 YNXSJTFGXVEABQ-UHFFFAOYSA-N 244.382 3.650 30 20 BHED C#CCCN(CC)c1cccc2ccccc12 70160777 LPKKFJAEPLPKTK-UHFFFAOYSA-N 223.319 3.689 30 20 BHED CN(CCCC(C)(C)C#N)Cc1cccc(F)c1 87608449 BLWUSFUDNYRDCJ-UHFFFAOYSA-N 248.345 3.587 30 20 BHED CCCCCCCCC(=O)N(C)C(C)C 104984646 DHOIUSIHNCPBJB-UHFFFAOYSA-N 213.365 3.604 30 20 BHED C=CCCNc1ccc([N+](=O)[O-])cc1C(F)F 162016405 OAEJKJGVUKOTNK-UHFFFAOYSA-N 242.225 3.520 30 20 BHED C=C(Cl)C[S@@](=O)[C@@H](C)c1cccc(C)c1 172851306 YVCQZANWKRTQFV-XHDPSFHLSA-N 242.771 3.557 30 20 BHED C=CCCC[C@@H](C)NC(=O)C[C@H](C)CCC 182602539 MZXZTKMSYHIXRM-CHWSQXEVSA-N 225.376 3.674 30 20 BHED C=CCC1(C(=O)N[C@@H](C)C[C@H](C)CC)CCC1 188287940 BCVYRGFUVFORGY-OLZOCXBDSA-N 237.387 3.674 30 20 BHED O=C(/C=C\c1ccccc1)c1cc(F)cc(F)c1 216272047 MQWBLYQZUCZMBR-SREVYHEPSA-N 244.240 3.861 30 20 BHED CC(C)C(C)(C)CNc1c(C#N)cccc1C#N 302877623 GQUPKELIMBPXIC-UHFFFAOYSA-N 241.338 3.524 30 20 BHED C=CCCCN[C@@H](C)c1cc(F)ccc1F 303520082 LFNYWZNNAIWILV-JTQLQIEISA-N 225.282 3.582 30 20 BHED CSC1(CNc2cc(C)cc(C#N)c2)CCC1 308108193 QRZKVAMZXPUNMQ-UHFFFAOYSA-N 246.379 3.564 30 20 BHED C=CCNc1cccc(Cl)c1OC(C)C 308845146 LYJVFQUSIZMRBG-UHFFFAOYSA-N 225.719 3.725 30 20 BHED C=CCC[C@H](CCC)N[C@H]1CCC(F)(F)C1 309995776 CCDJVPJJUPQFFJ-RYUDHWBXSA-N 231.330 3.899 30 20 BHED C=C(CC)CSCc1ncc(C)s1 379391633 QBRMRVRSOGDCGK-UHFFFAOYSA-N 213.371 3.651 30 20 BHED C=CC[C@H](CC)Nc1ccc(C(F)(F)F)cn1 393811033 VOBNEEKGPCLIGW-JTQLQIEISA-N 244.260 3.867 30 20 BHED CCCC[C@@H](CC)NCc1ccc(C#N)c(F)c1 404816552 BKDDIZPKWAJWLQ-CQSZACIVSA-N 248.345 3.756 30 20 BHED CCCCN(C)CCC1(C#N)CCCCC1 411128512 RQIZRCGVBLUKTR-UHFFFAOYSA-N 222.376 3.582 30 20 BHED C=CC[C@H]1N(CC(F)(F)F)CCCC1(C)C 444786513 VFWONXPWTXUBGB-SNVBAGLBSA-N 235.293 3.615 30 20 BHED C=CCC[C@@H](C)Nc1ccccc1OCCF 449385260 DZJZZXXDGIBNAA-GFCCVEGCSA-N 237.318 3.802 30 20 BHED CC[C@H](N[C@H]1CCC[C@H](C#N)C1)C1CCCC1 449665023 DAUKRFPTVILZGC-QEJZJMRPSA-N 234.387 3.627 30 20 BHED Cc1ccccc1[C@H](C)N(C)CC1(C#N)CCC1 450286158 NHPZOUVTKMHMBS-AWEZNQCLSA-N 242.366 3.682 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@H](CC)CCCC 464519893 HNVYLMKYSDYGNG-KGLIPLIRSA-N 237.387 3.770 30 20 BHED C=C(C)CCc1noc(C[C@H]2CC[C@@H](C)C2)n1 508675924 BPUNTPHLEWLJGM-NEPJUHHUSA-N 234.343 3.557 30 20 BHED C[C@@H](c1cccc2ccccc12)N(C)CCC#N 530724204 AJJFODDEMQWWTP-ZDUSSCGKSA-N 238.334 3.746 30 20 BHED CC(C)=CCSCc1ccc(C#N)cc1 571199620 DCFZEVLAXPEWOV-UHFFFAOYSA-N 217.337 3.758 30 20 BHED CC[C@H](c1ccccc1)N1CCC[C@H](CC#N)C1 595613318 AWZUPUGWBAOCDF-GDBMZVCRSA-N 242.366 3.763 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@]1(C)C(C)C 620857020 JOYXTJPZHAMBBF-SWLSCSKDSA-N 237.387 3.530 30 20 BHED C=C(C)CN(CC)Cc1nsc2ccccc12 659829950 XMEYYLJQDGNPOI-UHFFFAOYSA-N 246.379 3.694 30 20 BHED C=CCCN(C)C(=O)CCCC[C@@H](C)CC 682426968 ATDIQJDEVJFABR-ZDUSSCGKSA-N 225.376 3.627 30 20 BHED C#C[C@@H](NCc1cc2ccccc2o1)C(C)(C)C 702248321 WEJLPWXCSACZGB-OAHLLOKOSA-N 241.334 3.570 30 20 BHED Clc1cccc2c1CCC2=NNC1CCCC1 727652389 ZCTZSLQUONJMHZ-UHFFFAOYSA-N 248.757 3.523 30 20 BHED C=C(C)CCOC(=O)c1cc2ccc(C)cc2[nH]1 744305164 QDJYXRKAGVOMKR-UHFFFAOYSA-N 243.306 3.599 30 20 BHED CC(=NNc1ccc2ccccc2n1)C1CCC1 747626093 STDLIFKAOLQRLD-UHFFFAOYSA-N 239.322 3.823 30 20 BHED C[C@H]1CC(C)(C)CCC1=NNc1ccccn1 748245050 VDNDPMQWXWRCKX-NSHDSACASA-N 231.343 3.696 30 20 BHED CCON=C(C)c1oc2ccccc2c1C 767470194 RUJFIZIFRCITKI-UHFFFAOYSA-N 217.268 3.502 30 20 BHED C/C(=C\C(=O)OCCCCC(C)(C)C#N)C1CC1 768624830 AJXSYJIHYSDJNS-ZRDIBKRKSA-N 249.354 3.606 30 20 BHED CCC[C@H](C=NOCC)c1ccccc1 769569185 FHWYBRFMPHUROG-CYBMUJFWSA-N 205.301 3.593 30 20 BHED CCCC1CCC(C=NN=c2cc[nH]cc2)CC1 779810888 LDCNVPXGWMJJIY-UHFFFAOYSA-N 245.370 3.508 30 20 BHED COc1cccc(NN=C[C@H]2CCCC[C@@H]2C)c1 783816375 OQAPXBVEGNOIGE-QWHCGFSZSA-N 246.354 3.919 30 20 BHED CC[C@@H](C)CON=C1CCC[C@H]1CCCF 793162914 CZGVIUAXLZPOGZ-NEPJUHHUSA-N 229.339 3.955 30 20 BHED FC(F)(F)CCNN=C1CCCCCCC1 794551103 BNRNJJTVPUDRCR-UHFFFAOYSA-N 236.281 3.629 30 20 BHED C[C@H]1CCCC(=NOCCC2CC2)[C@H]1C 814245850 KKVKIEYEPPUXFY-QWRGUYRKSA-N 209.333 3.615 30 20 BHED COc1cc(F)cc(NN=CCCC(C)C)c1 814870531 GVNJDBGUNRTDBG-UHFFFAOYSA-N 238.306 3.668 30 20 BHED C[C@H]1CC[C@@H](C)CC1=NN[C@@H](C)c1ccncc1 819817624 CKYSMUBGWCPAMM-AGIUHOORSA-N 245.370 3.544 30 20 BHED CC(C)c1ccccc1C=NNC1CCCC1 848405766 XZIQEPFUNNNTCQ-UHFFFAOYSA-N 230.355 3.676 30 20 BHED C=C(C)CN(CCc1ccccc1)C(C)C 1318053819 BXXOZJWODCMTCN-UHFFFAOYSA-N 217.356 3.516 30 20 BHED C=CCCC[C@H](C)NCc1cccn1C1CC1 1330527395 ADCQCUQWLNZCAY-ZDUSSCGKSA-N 232.371 3.657 30 20 BHED C=C(C)CCC(=O)N(C)Cc1cccc(C)c1C 1338068679 NGIUVGYFPYXAOP-UHFFFAOYSA-N 245.366 3.618 30 20 BHED CC[C@H](C)CCC(=O)O[C@H](CC#N)c1ccco1 1347949153 RJSNUZUFHRVMQY-WCQYABFASA-N 249.310 3.604 30 20 BHED Cc1cc(N[C@@H](C)CCC(C)(C)C)ncc1C#N 1655154164 JBOSGKKVPJGOPE-LBPRGKRZSA-N 245.370 3.888 30 20 BHED Cc1cc(C#N)cc(N[C@H]2CC[C@H]2C2CCC2)c1 1664992701 XXELNNTXXBFTSE-HOTGVXAUSA-N 240.350 3.857 30 20 BHED Cc1ccc(SCCCC#N)cc1C 19847658 MDUUBHDYTOVFHZ-UHFFFAOYSA-N 205.326 3.699 30 20 BHED N#CCCCCSc1ccc2c(c1)CCC2 42227334 KBWCFSFRMBQFDD-UHFFFAOYSA-N 231.364 3.961 30 20 BHED CCCc1ccccc1NCCC(C)(C)C#N 87591763 PXZMOZVZYTVYFI-UHFFFAOYSA-N 230.355 3.991 30 20 BHED C=CCCSCc1csc([C@H](C)OC)n1 177855970 HZNPEUPJFCDTOR-VIFPVBQESA-N 243.397 3.660 30 20 BHED C=CCCC(=O)Nc1ccc(C)cc1Cl 263643458 DLUPJQHVDRIPFE-UHFFFAOYSA-N 223.703 3.553 30 20 BHED C=CCC(CC=C)C(=O)N(C1CC1)[C@H](C)C1CC1 268122821 CKTMIEKJOSLUAI-GFCCVEGCSA-N 247.382 3.544 30 20 BHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1Cl 274394878 BXPFCRJRTNJABF-SRVKXCTJSA-N 248.757 3.683 30 20 BHED CC[C@](C)(C#N)C(=O)O[C@H](C)c1ccccc1C 285571702 GQTGLNPQXNOHSZ-IUODEOHRSA-N 245.322 3.539 30 20 BHED Cc1cc(C#N)cc(N[C@@H]2CCCC[C@H]2C)c1 308107206 POCWONJINJALSI-IUODEOHRSA-N 228.339 3.857 30 20 BHED N#CC1(CN2CCC[C@@H]2c2ccccc2)CCC1 336193930 DPMUZDIXMXXBPJ-OAHLLOKOSA-N 240.350 3.517 30 20 BHED CC[C@@H](NCC1(CC#N)CC1)c1ccccc1F 348409847 UQAVUIBKXLEMTN-CQSZACIVSA-N 246.329 3.560 30 20 BHED CC(C)C[C@H]1CCCN1Cc1ccc(C#N)cc1 396930803 XQRYLNHSJIBRDL-MRXNPFEDSA-N 242.366 3.569 30 20 BHED CC(C)(CC#N)CNc1ccnc2ccsc12 413409006 NWSNBLVHLSZDIK-UHFFFAOYSA-N 245.351 3.648 30 20 BHED CCSc1ccccc1OCC1(C#N)CCC1 418933414 IUPZTLHFTBZEGC-UHFFFAOYSA-N 247.363 3.871 30 20 BHED C[C@@H](NCC1(C#N)CC1)c1ccc(C2CC2)cc1 419330559 GCDIZBSTVFMUKD-GFCCVEGCSA-N 240.350 3.518 30 20 BHED C[C@H](CNCC1(CC#N)CC1)CC1CCCCC1 430004473 KYAIKOAFZBSOEK-AWEZNQCLSA-N 248.414 3.876 30 20 BHED C=CCCCC[C@H](C)NCCC1CCOCC1 449145106 WBPRJVKYTBVMGL-AWEZNQCLSA-N 239.403 3.528 30 20 BHED C=C(C)CCN[C@H](C)Cc1coc2ccccc12 449479197 UXFZJZHCNADOGM-CYBMUJFWSA-N 243.350 3.920 30 20 BHED C=CC[C@@H]1N(CC2(C#N)CCC2)CCCC1(C)C 450874096 UHQSHEMNJQNPPR-AWEZNQCLSA-N 246.398 3.747 30 20 BHED CC[C@@]1(C)CCCN(c2ccc(C#N)cc2F)C1 462936951 VQMLAGLSRVLGOW-HNNXBMFYSA-N 246.329 3.714 30 20 BHED CC1(C)CCCCN(Cc2ccccc2C#N)C1 469976449 XTJHOIDYHTZQMF-UHFFFAOYSA-N 242.366 3.570 30 20 BHED C=CCOCCCN[C@@H](C)c1c(C)cccc1C 470777077 QJJAPVLJKXSWMF-HNNXBMFYSA-N 247.382 3.547 30 20 BHED C=C(C)CSCCc1ccc(OC)cc1 497215331 PJHASCUJHZYZRQ-UHFFFAOYSA-N 222.353 3.547 30 20 BHED C=CCCOc1ccnc2c(Cl)cccc12 506676843 REASLMHSCHRNTC-UHFFFAOYSA-N 233.698 3.843 30 20 BHED C=C(C)CCc1noc(-c2cc(C)c(C)s2)n1 508617324 GWLNQHLEIGVWKQ-UHFFFAOYSA-N 248.351 3.924 30 20 BHED C=C(C)CCc1noc(C[C@@H]2CC[C@H](C)C2)n1 508675926 BPUNTPHLEWLJGM-NWDGAFQWSA-N 234.343 3.557 30 20 BHED C=CCN(CCC)[C@@H](C)c1ccccc1OC 521193553 IKILGSPHRMECPN-ZDUSSCGKSA-N 233.355 3.654 30 20 BHED CC#CCCCc1nc([C@@H]2CCC[C@H](C)C2)no1 565505581 RJWGOIJPRZCFKU-QWHCGFSZSA-N 246.354 3.709 30 20 BHED C=CCC[C@H](CCC)NC1(CF)CCC1 570164234 MBKLKCWHIZEGJP-LBPRGKRZSA-N 213.340 3.603 30 20 BHED CC[C@H](N[C@]1(C)CC1(C)C)c1ccc(C#N)cc1 595100795 JAKAPLIIYMYOEU-GOEBONIOSA-N 242.366 3.788 30 20 BHED C=CC[C@H](C)NC(=O)C[C@H](C)CC(C)(C)C 604880362 BWGGSCYCYZAGOZ-RYUDHWBXSA-N 225.376 3.530 30 20 BHED CC(=NNc1ccccc1F)c1ccsc1 749099836 UJXCEIILDBFUJO-UHFFFAOYSA-N 234.299 3.723 30 20 BHED CCc1ccc(C(C)=NNc2ccccc2)o1 752156504 AUJCAQRCBNLKAZ-UHFFFAOYSA-N 228.295 3.678 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cc(C)c(OC)cc1C 753678100 HDSAXANBIVWDLF-KBPBESRZSA-N 247.382 3.927 30 20 BHED CCCCCCCCNC(=O)c1occc1C 754849277 IPHKZKHLFQGLCN-UHFFFAOYSA-N 237.343 3.678 30 20 BHED C=CCNc1ccc(OC2CCCC2)c(F)c1 756812329 HSCCEYSXPBUGNQ-UHFFFAOYSA-N 235.302 3.745 30 20 BHED FC(F)(F)CCON=CC1CCCCCC1 777462993 VJIGCRNUNOITNE-UHFFFAOYSA-N 237.265 3.912 30 20 BHED C#CCCCCCC(=O)Nc1cc(C)ccc1C 779707576 OLWDPFFWQJLRHS-UHFFFAOYSA-N 243.350 3.826 30 20 BHED O=C(/C=C/C=C/c1ccccc1)c1cncs1 787172198 SOHFEJQQZNJVKS-KBXRYBNXSA-N 241.315 3.595 30 20 BHED Clc1ccsc1C=NOCCC1CC1 814245742 GBGPICHBESFYIX-UHFFFAOYSA-N 229.732 3.552 30 20 BHED Cc1sccc1C=NNc1ccc(F)cc1 814693316 JFSBYUGZVZNMQX-UHFFFAOYSA-N 234.299 3.642 30 20 BHED C[C@@H](C=NOC/C=C\Cl)C1CCCCC1 814934133 MINZKSNCNRGKLE-NVJMIFCGSA-N 229.751 3.958 30 20 BHED CC(=NNc1ccc(C)c(F)c1)C1CCC1 853438437 BHMLZNAAWUWNSL-UHFFFAOYSA-N 220.291 3.722 30 20 BHED C#CCCCCCCN[C@@H](C)CC(F)(F)F 877384266 XGROOXCAFHNNOO-NSHDSACASA-N 235.293 3.501 30 20 BHED C=C[C@H](CC)CC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 935323153 CHUXHFPTESGGJQ-YJNKXOJESA-N 249.398 3.626 30 20 BHED CCOc1ccc(C#N)cc1N[C@@H](C)CC(C)C 1180739428 AGOALPAYEREIFN-LBPRGKRZSA-N 246.354 3.803 30 20 BHED CC(C)(C)c1ccc([C@@H]2CCCN2CC#N)cc1 52042739 NAWGIQZEBOXGDC-HNNXBMFYSA-N 242.366 3.645 30 20 BHED CC(C)CCOc1cc(Cl)ccc1C#N 62790152 SPDAULXCZBZPBA-UHFFFAOYSA-N 223.703 3.637 30 20 BHED CCc1ccc(NCCCC(C)(C)C#N)cc1 87597170 JUILMCWEESIBAH-UHFFFAOYSA-N 230.355 3.991 30 20 BHED C=CCCC[C@H](C)N(C)Cc1csc(C)n1 91509722 JRCCUUKOWIEFFJ-NSHDSACASA-N 238.400 3.628 30 20 BHED N#Cc1csc(CNC2CCCCCCC2)c1 93492039 GGCDIFUWUHJTKK-UHFFFAOYSA-N 248.395 3.822 30 20 BHED C=C(C)CN[C@H](c1ccccc1)C(C)C 96034231 FFKMZVLNYSZJSC-AWEZNQCLSA-N 203.329 3.549 30 20 BHED C=CCCCSc1ccc(NC(C)=O)cc1 117547884 WYEWEUPWXTWSTL-UHFFFAOYSA-N 235.352 3.703 30 20 BHED CCC1CCC(NCC(C)(C)CCC#N)CC1 135153683 CISGTKBGXAQLOX-UHFFFAOYSA-N 236.403 3.875 30 20 BHED C=C(C)CN[C@H](C)c1cc(C)cc(C)c1 160207583 OSQVBMPNYIVWEU-CYBMUJFWSA-N 203.329 3.530 30 20 BHED C=CCCN[C@H](CC(F)(F)F)c1ccccc1 163923940 ZDXSTGUYRCPXPE-GFCCVEGCSA-N 243.272 3.846 30 20 BHED C=CCCN[C@@H](C)c1oc2ccccc2c1C 168689219 XKDXDYODAIHJTF-LBPRGKRZSA-N 229.323 3.968 30 20 BHED CC1(CNCc2ccc(C#N)o2)CCCCCC1 181022163 ULJURNDWWHOQLP-UHFFFAOYSA-N 246.354 3.601 30 20 BHED C#CCC(C)(C)C(=O)Nc1ccc(Cl)cc1C 184868422 NKBQFCHAYHJVRQ-UHFFFAOYSA-N 249.741 3.636 30 20 BHED CCN(C[C@H](C)C#N)[C@H](C)c1cccc(C)c1 245768239 JWLIRNQNNXOSSB-ZIAGYGMSSA-N 230.355 3.538 30 20 BHED CCc1ccc(/C=C\c2ccc(C#N)cn2)cc1 255522920 INFJIEKKMUAVFB-CLFYSBASSA-N 234.302 3.686 30 20 BHED CCc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1 274574400 BHUGOTIGLGWJCK-JGGQBBKZSA-N 242.366 3.592 30 20 BHED C[C@@H]1CC[C@H](Nc2cc(F)cc(C#N)c2)[C@H](C)C1 299933612 KSGVNZBLTVOXPF-HFAKWTLXSA-N 246.329 3.934 30 20 BHED C=C[C@@H](C)Nc1nc2cccc(C)c2s1 309137925 SKXXZPAUFQXEBD-SECBINFHSA-N 218.325 3.591 30 20 BHED C=CC[C@H](CC)N[C@H]1CCCC(C)(C)C1 309222331 VKUHQNXGLQIBLB-STQMWFEESA-N 209.377 3.900 30 20 BHED C=CCC[C@@H](NCC(C)C)c1ccco1 336754877 IPSXGGOLACREMS-GFCCVEGCSA-N 207.317 3.533 30 20 BHED C=CCCCCN[C@@H]1CCCOc2ccccc21 349344688 TUJOVVJSKAPMLR-OAHLLOKOSA-N 245.366 3.846 30 20 BHED C=CCC(C)(C)CNC/C=C\c1ccccc1 384067525 UPGOCCMSPMWYGX-FLIBITNWSA-N 229.367 3.892 30 20 BHED C[C@@H](CC(C)(C)C)NCc1cc(C#N)cs1 384513704 HXEKOBBCSPDYNS-JTQLQIEISA-N 236.384 3.534 30 20 BHED C=CCCNc1ccccc1OCC(C)C 390296668 BBLYSBSWYMVPAF-UHFFFAOYSA-N 219.328 3.709 30 20 BHED C=CC[C@@H](CC)NC1CC(c2ccccc2)C1 393758692 URXMWXKWFMDGRL-HWOWSKLDSA-N 229.367 3.877 30 20 BHED C=CC[C@H](CC)NC(=O)C[C@H](C)CC(C)C 410118726 BSQIFDPXWKJBHY-OLZOCXBDSA-N 225.376 3.530 30 20 BHED C=CCC1(CNC(=O)C(C)(C)CC=C)CCCC1 456504191 JWWAYDMLBXUAAR-UHFFFAOYSA-N 249.398 3.841 30 20 BHED C=CCC1(C(=O)NCCCC2CCCC2)CCC1 478951568 JGDZICOCHJAVFE-UHFFFAOYSA-N 249.398 3.819 30 20 BHED CC#CCCNC[C@H](CCC)c1ccccc1 499214026 OEGQOOGQGVZGSW-INIZCTEOSA-N 229.367 3.573 30 20 BHED C=C(C)CCc1noc(CC(CC)CC)n1 508686802 PELJWLDITREUSQ-UHFFFAOYSA-N 222.332 3.557 30 20 BHED C=C(CC)CN1CCC[C@H]1c1ccc(F)cc1 537993001 HDOISQQGXMYNBN-HNNXBMFYSA-N 233.330 3.929 30 20 BHED C=C(CC)CN(C)[C@@H](C)Cc1ccccc1OC 540205302 YMEZSMUTFFYKIA-AWEZNQCLSA-N 247.382 3.524 30 20 BHED C=CCCN1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 541320003 SKNJBPUKYILKRJ-XJKSGUPXSA-N 245.366 3.654 30 20 BHED C=C1CCN([C@H]2CCc3ccc(Cl)cc32)CC1 542282724 YVNPKAPBAKOZCB-HNNXBMFYSA-N 247.769 3.979 30 20 BHED CC(C)(C)C#Cc1cccc2ncccc12 585143939 UZFSJXDTKBFJNF-UHFFFAOYSA-N 209.292 3.632 30 20 BHED N#Cc1ccc(-c2ccccc2C#N)cc1Cl 589962890 FTDRRMWJEMEYOX-UHFFFAOYSA-N 238.677 3.750 30 20 BHED CCCC[C@@H]1CCC[C@H]1NC[C@H](C)CCC#N 602535018 LGCDUWGHSADZRH-RBSFLKMASA-N 236.403 3.875 30 20 BHED C[C@H](NC[C@H](C)CCC#N)[C@H](C)c1ccccc1 602564653 NKSLWXOTYMYCPU-ILXRZTDVSA-N 244.382 3.708 30 20 BHED C=CCCCN(C)[C@@H](C)c1ccc(C)cc1 605149957 WJNWDIVSGBBSDP-AWEZNQCLSA-N 217.356 3.954 30 20 BHED CCCCCCCC(=O)N(CC)CC1CC1 732642958 AWIQVULFSODNES-UHFFFAOYSA-N 225.376 3.605 30 20 BHED C=CCCCC(=O)N1CCCc2c(C)cccc21 748541713 JYHUSVGOUPSZMN-UHFFFAOYSA-N 243.350 3.631 30 20 BHED C[C@@H]1CC[C@@H](C=NOCc2ccccc2)C1 800810333 OXCNJDPZKXLIAW-TZMCWYRMSA-N 217.312 3.625 30 20 BHED CC[C@H](C=NNc1ccccn1)c1ccccc1 814732003 SYISHDKWBIBLFF-CYBMUJFWSA-N 239.322 3.673 30 20 BHED c1ccc([C@@H]2CCC(=NOC3CCC3)C2)cc1 814936625 CNOCAXSARJIBOX-CYBMUJFWSA-N 229.323 3.879 30 20 BHED CC(=NOCC1CC1)c1cccc(C2CC2)c1 814941436 XCGSYYSNNMZEQC-UHFFFAOYSA-N 229.323 3.715 30 20 BHED CCC[C@H](C)C(CC)=NN[C@H](C)c1ccncc1 819816541 KUALIDBVNBLXAN-QWHCGFSZSA-N 247.386 3.934 30 20 BHED C=CCCCCC[C@@H](C)NCC1(CC)COC1 825079123 MBLGGIBAGCYYQS-CQSZACIVSA-N 239.403 3.528 30 20 BHED CCC[C@@H](C=NNc1ccccc1Cl)OC 834917120 YRSLRVFVXYRYFR-JTQLQIEISA-N 240.734 3.553 30 20 BHED CC(=NOCc1ccccc1)c1cccc(F)c1 839418471 SICVWDGXELDIGP-UHFFFAOYSA-N 243.281 3.767 30 20 BHED C=CCCN1C[C@@H]2CCCC[C@]21c1ccccc1 1321425644 DWEMSQDYRJPKFJ-IRXDYDNUSA-N 241.378 3.964 30 20 BHED CC(=NOC(C)(C)C)c1ccc(F)cc1F 1336229471 URQRLNSQLVXKQU-UHFFFAOYSA-N 227.254 3.504 30 20 BHED C=C(Cl)CN(CCc1ccccc1)C(C)C 1338004118 KQEZRZHIENTGLU-UHFFFAOYSA-N 237.774 3.692 30 20 BHED Cc1ccc(CNc2ccc(C#N)cc2)c(C)c1 19950648 JTMRTQNPHKTRHZ-UHFFFAOYSA-N 236.318 3.787 30 20 BHED CC[C@H](Nc1ncccc1C#N)c1cccs1 49531318 ITCRNSNBIKSNTQ-NSHDSACASA-N 243.335 3.578 30 20 BHED C=C(Cl)CN[C@H](CC)C1CCCCC1 52339315 WLQQAODRDZCCNQ-GFCCVEGCSA-N 215.768 3.687 30 20 BHED CC(C)CC[C@@H](C)NCc1ccc(C#N)cc1F 70186165 QIANGGUSKNECRD-GFCCVEGCSA-N 248.345 3.612 30 20 BHED C=CC[C@@H](C)NC(=O)C[C@H](C)C1CCCCC1 116849964 ZNFKFEWLBHTVKC-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=CCC[C@H](NCCc1cccs1)C1CC1 119850557 VJHPCRZFIXPFAR-AWEZNQCLSA-N 235.396 3.625 30 20 BHED Cc1cccc(C(=O)/C=C/c2ccccc2C#N)c1 120776212 QPDOPBCGAOLMDE-MDZDMXLPSA-N 247.297 3.763 30 20 BHED C=C[C@@H](C)N[C@H](CC)c1ccc(Cl)cc1 136204640 GTDLZRPOCAZNSL-ZWNOBZJWSA-N 223.747 3.955 30 20 BHED C=CCCCC(=O)N(CC)[C@@H]1CCCC[C@H]1C 177807737 DHPFDXUCKHPYRA-ZIAGYGMSSA-N 237.387 3.770 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@@H](C)CCC 182602519 MZXZTKMSYHIXRM-STQMWFEESA-N 225.376 3.674 30 20 BHED N#CCCCCN1CC[C@@H]1c1ccc(Cl)cc1 267341441 LOBQVCCMWCXUNK-CQSZACIVSA-N 248.757 3.781 30 20 BHED CC(C)[C@H](C)Sc1c(C#N)cccc1C#N 302906223 WPRKTNSHAVVFHK-JTQLQIEISA-N 230.336 3.567 30 20 BHED C=C(Cl)CN[C@@H]1C[C@H](C)CC[C@H]1CC 308738710 NCSFAPQNEUOKDQ-YUSALJHKSA-N 215.768 3.543 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCC[C@H](C2CC2)C1 309702966 NHQYNLATCFYRLV-SOUVJXGZSA-N 221.388 3.900 30 20 BHED C=CCCCCCCN[C@H]1CCOC(C)(C)C1 310183685 XXJXLDUIQMMVCX-AWEZNQCLSA-N 239.403 3.670 30 20 BHED Cc1ccc(/C=C\c2ccncc2C#N)cc1F 349103797 CXNVJSOGAGXEOJ-PLNGDYQASA-N 238.265 3.571 30 20 BHED C=CC[C@@H](CC)Nc1cccc(C(F)(F)F)n1 393811716 WRRKOQGHLQTDTI-SECBINFHSA-N 244.260 3.867 30 20 BHED CC(C)Sc1ccc([C@@H](C)NCCC#N)cc1 411461405 IXYPFGYXCPIQIG-GFCCVEGCSA-N 248.395 3.751 30 20 BHED C=CCC(C)(C)CNC(=O)[C@H]1CCCC[C@H]1C 424843935 JXTXESBQSKHXSI-OLZOCXBDSA-N 237.387 3.531 30 20 BHED C=CCN(CCC#N)C[C@@H]1CCC[C@@H](CC)C1 430112047 VZKCHBLPWNQTRT-HUUCEWRRSA-N 234.387 3.604 30 20 BHED CCc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1C 442829055 OHTGAETYAJFTEG-IUODEOHRSA-N 228.339 3.662 30 20 BHED Cc1ccc([C@@H](C)NCC2(C#N)CCC2)c(C)c1 450669368 QETPDILCCFOZTK-CQSZACIVSA-N 242.366 3.648 30 20 BHED CCC(C)(C)CC(=O)Nc1cccc(CC#N)c1 456726662 BITFVAYJVXQFBI-UHFFFAOYSA-N 244.338 3.517 30 20 BHED C=CCC(CC=C)C(=O)N(CC)C[C@H](C)CC 467517486 VLGYJVGXOYCJTH-CYBMUJFWSA-N 237.387 3.649 30 20 BHED C=C[C@](C)(CC)C(=O)N(CC)CC(CC)CC 468107310 YGOMLCOBANBQRI-OAHLLOKOSA-N 239.403 3.873 30 20 BHED C=CCC(C)(C)CNC(=O)[C@H]1CC2CCC1CC2 489733598 LMFVCUQVCYVGOQ-RUXDESIVSA-N 249.398 3.531 30 20 BHED C=CCc1ccccc1OCCCCF 505690155 NEZDPKXGURPURW-UHFFFAOYSA-N 208.276 3.544 30 20 BHED C=C(C)CCN1CCCC2(CCCC2)C1 510798148 RBTWKFPALVIPNN-UHFFFAOYSA-N 207.361 3.609 30 20 BHED C=CCCCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 531122432 DLEKKKUTLJBWQW-SOUVJXGZSA-N 249.398 3.770 30 20 BHED C=C(C)CN(CC)C(=O)[C@H]1CCC(C)=C(C)C1 567737036 GZMULYUDGQJPHA-AWEZNQCLSA-N 235.371 3.548 30 20 BHED Cc1ccc(-c2ccc(C)c(NCCC#N)c2)o1 583990236 OWYPPIFDEUMFEP-UHFFFAOYSA-N 240.306 3.889 30 20 BHED CC1=CCC[C@H](C)[C@H]1CN1CCC[C@H](CC#N)C1 597176998 LFNHVOWVCNAMPK-XHSDSOJGSA-N 246.398 3.604 30 20 BHED C=CCN(Cc1ccccc1)C[C@@H](C)CCC#N 602443178 ADOZGRMCHNLERS-HNNXBMFYSA-N 242.366 3.614 30 20 BHED CC1CCN(CCCCC2(C#N)CCC2)CC1 675075123 HAJSIAWQFXMXBJ-UHFFFAOYSA-N 234.387 3.582 30 20 BHED CC(C)CCN(C)CC#Cc1cccc(Cl)c1 676557271 PMIZHQGSSRIPNJ-UHFFFAOYSA-N 249.785 3.669 30 20 BHED Cc1cccc([C@H](C)N[C@@H](C)CC(C)(C)C#N)c1 695779211 PIRKLICSCYXEFE-KBPBESRZSA-N 244.382 3.974 30 20 BHED C=CC[C@H](C)NC(=O)[C@H](CCCCC)C(C)C 755377961 APZRDSKLXWXOMV-UONOGXRCSA-N 239.403 3.920 30 20 BHED CC[C@@H](C)C=NNc1ncc(Cl)cc1Cl 755540732 DPLWRGXDRGOXII-SSDOTTSWSA-N 246.141 3.832 30 20 BHED CON=C(C)C1(c2ccccc2)CCCC1 774364128 QQKROJIHHWTFDI-UHFFFAOYSA-N 217.312 3.521 30 20 BHED CCCC(=NNC1CCCC1)c1ccsc1 785454981 ZITLAIOBCXQKCS-UHFFFAOYSA-N 236.384 3.785 30 20 BHED C[C@H](NN=Cc1cscc1Cl)C(C)(C)C 793115353 MKAZJBRUNHEAPB-QMMMGPOBSA-N 244.791 3.760 30 20 BHED C/C(C=NOCCOC(C)C)=C/c1ccccc1 812237498 DDMORCBIBDQZDQ-VKXPUEARSA-N 247.338 3.517 30 20 BHED C#Cc1ccc(CN(C2CCC2)C2CCC2)cc1 814177685 LVKZIFLBRQKFGA-UHFFFAOYSA-N 239.362 3.575 30 20 BHED C=C(CC)COC(=O)c1cc(F)ccc1Cl 814510070 URNWJSFFJHVQDS-UHFFFAOYSA-N 242.677 3.602 30 20 BHED CC(C)(C#N)[C@@H]1CCCC1=NNC1CCCCC1 814908734 FMAUYJWBMCENHB-CYBMUJFWSA-N 247.386 3.615 30 20 BHED C[C@H](NN=C1CC(c2ccccc2)C1)C(C)(C)C 814937959 SQQZIBWBVFUEGB-NBFOIZRFSA-N 244.382 3.944 30 20 BHED CC[C@H](C)C=NNc1ccc(F)c(F)c1F 814945973 ZFXLCOXHOVQZQR-ZETCQYMHSA-N 230.233 3.548 30 20 BHED C=CC(C)(C)CN[C@H](C)CSC(C)(C)C 824789701 FOKKYVHUHGSDEE-LLVKDONJSA-N 229.433 3.708 30 20 BHED C=C(Cl)CN1CC[C@H](C)[C@@H]2CCCC[C@H]21 917052964 GKTMUVJPFOGWHB-WCFLWFBJSA-N 227.779 3.640 30 20 BHED CCCCCCCCC(=O)NC[C@H](C)C1CC1 920034159 PZNSXIOSDYRZDX-ZDUSSCGKSA-N 239.403 3.899 30 20 BHED C=C(Cl)CN(CC(C)C)c1ccc(C#N)cc1 1653661231 HFZNFOMJKFFSNF-UHFFFAOYSA-N 248.757 3.773 30 20 BHED N#C[C@H]1CC[C@@H](N[C@@H]2CCCC23CCCCC3)C1 1658402526 MPBBMCXXXJTYER-RRFJBIMHSA-N 246.398 3.771 30 20 BHED C=CCCCN[C@H](C)c1ccccc1C 70592005 LBZXITOYSDFAAF-CYBMUJFWSA-N 203.329 3.612 30 20 BHED C=C(CC)CN[C@H](C)c1ccc(Cl)cc1 85057971 ZCTDZGPWXWBHBQ-LLVKDONJSA-N 223.747 3.957 30 20 BHED Cc1cccc(F)c1NCc1cccc(C#N)c1 164795492 BGRXJHPADFSSHN-UHFFFAOYSA-N 240.281 3.618 30 20 BHED Cc1cc(C#N)ccc1CSc1ccccn1 165993434 UIEZMLMIRDGNQC-UHFFFAOYSA-N 240.331 3.554 30 20 BHED Cc1coc(S[C@@H](C)c2ccc(C#N)cc2)n1 188385219 ODGKDZBFWXKSJZ-JTQLQIEISA-N 244.319 3.708 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCC(C)C 190037310 KNTVWMDFZJRFAD-JSGCOSHPSA-N 225.376 3.530 30 20 BHED CCCCCCCN[C@@H]1CCOC(C)(C)C1 215634419 IXQPLHISSTVZOY-CYBMUJFWSA-N 227.392 3.504 30 20 BHED N#Cc1ccc(N2CC[C@@H]3CCCC[C@H]3C2)cc1 250046548 CMZMENKNLVGQLT-GJZGRUSLSA-N 240.350 3.575 30 20 BHED CCc1ccc(C(=O)/C=C\c2cccs2)o1 255293187 KCAPFLVHAAMRDP-SREVYHEPSA-N 232.304 3.800 30 20 BHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1 274392646 BJYBFQXBLPPUQZ-MISXGVKJSA-N 248.757 3.683 30 20 BHED C[C@H]1C[C@H](c2ccccc2)N(CCCCC#N)C1 285634000 KXYSFUTXRNDRNM-GOEBONIOSA-N 242.366 3.763 30 20 BHED C=CC[C@@H](C)N[C@@H](CC)c1ccc(F)cc1O 286105173 MTFVHUOMDUYFOV-MFKMUULPSA-N 237.318 3.537 30 20 BHED C=CCCCNc1ccc([C@@H]2CCOC2)cc1 297760042 OSDCNAKSARMWOR-CQSZACIVSA-N 231.339 3.569 30 20 BHED C=CCCSc1nccn1-c1cccc(C)c1 303880615 YLPIKMKTAFGGQG-UHFFFAOYSA-N 244.363 3.849 30 20 BHED C=CCC(C)(C)c1noc([C@H](CC)SC)n1 340793036 FWXHSJBAMSPBOQ-VIFPVBQESA-N 240.372 3.737 30 20 BHED C=CC[C@H](CC)NCc1cscc1Cl 379547009 XPXMROKCPOOMHN-JTQLQIEISA-N 229.776 3.846 30 20 BHED C=CCCCCCCN[C@H]1CCC[C@H]2C[C@H]21 382331604 WQCFVDYUXZCWFO-ZNMIVQPWSA-N 221.388 3.901 30 20 BHED C=CC(C)(C)CNCc1cnc2ccccc2c1 384880834 UNWMHFKJWOCDMY-UHFFFAOYSA-N 240.350 3.537 30 20 BHED C=C(C)CNC(=O)Nc1ccc(C2CC2)c(C)c1 429527573 HHHKJRSKEFCAAZ-UHFFFAOYSA-N 244.338 3.570 30 20 BHED CCc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1C 442829057 OHTGAETYAJFTEG-SWLSCSKDSA-N 228.339 3.662 30 20 BHED CC1CCC(N(CC2(C#N)CCC2)C2CC2)CC1 450270804 NWAPEFFXRMEXOP-UHFFFAOYSA-N 246.398 3.723 30 20 BHED CC[C@H](C)[C@H](C)N(CC1(C#N)CCC1)C1CC1 450359213 VKZNVOZBCDKIJU-STQMWFEESA-N 234.387 3.579 30 20 BHED C=C(C)CN1C[C@H](C)C[C@@H]1c1cccc(F)c1 472237879 HYHWCMMDGDJKSF-IUODEOHRSA-N 233.330 3.785 30 20 BHED Cc1cc(CSCC2CCC2)ccc1C#N 485570525 IHNGAJVONMMAPF-UHFFFAOYSA-N 231.364 3.900 30 20 BHED C=CCCC(=O)Nc1ccc(C(C)C)cc1 523955238 BJZCYVDELDHMOV-UHFFFAOYSA-N 217.312 3.715 30 20 BHED C=CCC[C@@H](NCCc1cccc(F)c1)C1CC1 533498427 CVDKVFKMZBSMKT-MRXNPFEDSA-N 247.357 3.703 30 20 BHED C=CC1CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1 538730465 NJFOICDIGPLJPC-DLBZAZTESA-N 241.378 3.688 30 20 BHED C=CCCC[C@H](C)NC(=O)c1ccc(CC)cc1 540537202 DOANNTYWUIMJCY-ZDUSSCGKSA-N 245.366 3.724 30 20 BHED CC[C@@H]1CCC[C@H](CN(CC)C[C@@H](C)C#N)C1 542464389 GKZOHQZLFGBZFA-ZNMIVQPWSA-N 236.403 3.684 30 20 BHED C=CCN(CCc1ccccc1)[C@@H](C)CC 561635642 VGUUSXOWNOODFW-AWEZNQCLSA-N 217.356 3.516 30 20 BHED C=CCCCC[C@@H](C)NC1(C2CC2)CC1 567324703 ZSTQGWQEEWTQBY-GFCCVEGCSA-N 207.361 3.654 30 20 BHED CCCC[C@H]1CCC[C@H]1Nc1cc(C#N)ccn1 583280143 IBESXVFRTSOBBS-UONOGXRCSA-N 243.354 3.724 30 20 BHED Cc1cccc(-c2ccc(C#N)s2)c1F 589963006 SBWLDNIJCQMKPT-UHFFFAOYSA-N 217.268 3.734 30 20 BHED C=CCc1ccccc1OCCC(F)(F)F 642608073 XSPHSKRYFIPJFF-UHFFFAOYSA-N 230.229 3.746 30 20 BHED C=CCN(Cc1ccc(OC(C)C)cc1)C(C)C 726596817 UYZVGETZLSNEOH-UHFFFAOYSA-N 247.382 3.870 30 20 BHED CC(=NNC1CCCC1)c1ccc(Cl)s1 727652911 VPEIMDKBEKIYSA-UHFFFAOYSA-N 242.775 3.658 30 20 BHED C=C(Cl)CN1C[C@H](c2ccccc2)C[C@@H]1C 734637257 DHUQSTUZTVNLEQ-GXTWGEPZSA-N 235.758 3.617 30 20 BHED C[C@@H]1C[C@@H]1C=NNc1ccc(Cl)c(F)c1 758377678 BINGTSWTEBATSN-HTQZYQBOSA-N 226.682 3.533 30 20 BHED CCCCCCCCNc1nnc(C2CC2)o1 767307622 GNPYZGZJGYWYOQ-UHFFFAOYSA-N 237.347 3.719 30 20 BHED C(CCC1CCOCC1)=NOC1CCCCC1 777457584 XDBOXNNHZQYPBN-UHFFFAOYSA-N 239.359 3.528 30 20 BHED CCC(C)=NN1CCC(C(C)(C)C)CC1 790179095 RVFDZRJRGKVBIP-UHFFFAOYSA-N 210.365 3.530 30 20 BHED CCCC[C@@H](C)C(C)=NNc1nc(C)cc(C)n1 807939992 RRJHSPIPXFXATM-SNVBAGLBSA-N 248.374 3.708 30 20 BHED CC(=NOC/C=C/Cl)c1ccc(C)c(C)c1 811672161 RRKVJKNSWDBXJA-UXRYSFGWSA-N 237.730 3.797 30 20 BHED CCCC1CCC(=NOC2CCC2)CC1 812237073 IYTTYTLXOSFURR-UHFFFAOYSA-N 209.333 3.902 30 20 BHED CCC(=NNc1cccc(Cl)n1)[C@H]1C[C@H]1C 841642103 GLVDCURBGWXXBQ-BDAKNGLRSA-N 237.734 3.569 30 20 BHED C=C[C@@H](C(=O)N[C@H](C)C(C)(C)C)c1ccccc1 1123921030 HLMDLTBJPOHCAS-TZMCWYRMSA-N 245.366 3.507 30 20 BHED C[C@@H](CCC#N)N1CC[C@@H](C)C2(CCCCC2)C1 1169542334 ZMUAIUBHGLPUCI-CABCVRRESA-N 248.414 3.971 30 20 BHED CCC[C@H](C)[C@H]1CCCN1C[C@@H](C)CCC#N 1204675100 ZEFIMCVZQMXRDB-SOUVJXGZSA-N 236.403 3.827 30 20 BHED C[C@H]1CCCC[C@H]1Nc1cccc(OCC#N)c1 37069510 ABQHTOJBAXGDRF-SWLSCSKDSA-N 244.338 3.580 30 20 BHED C#CCCSc1ccccc1Br 82496856 VLSGHMQDUQAVTK-UHFFFAOYSA-N 241.153 3.565 30 20 BHED N#Cc1ccc(CSc2cccc(F)c2)cc1 84505187 SISJKXHEOXDWFO-UHFFFAOYSA-N 243.306 3.990 30 20 BHED C[C@H](c1cccs1)N(C)CCC(C)(C)C#N 87595331 ULYNAJPRRMZLRR-LLVKDONJSA-N 236.384 3.681 30 20 BHED C=C(C)CN(CC)C(=O)[C@H](C)CC1CCCC1 114230293 NFBXDIYXJQWODR-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=CCC(CC=C)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 176938445 LGLZDGURWCIPDH-UKRRQHHQSA-N 249.398 3.792 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1cc(F)ccc1C 182656546 KDARLTBDSDOPPD-GFCCVEGCSA-N 249.329 3.609 30 20 BHED C=C(C)CN(CC)C(=O)C1(CC)CCCCC1 185624577 OJLNZUKTPRMWFP-UHFFFAOYSA-N 237.387 3.772 30 20 BHED CC(C)CCSc1ccccc1C#N 227528926 HIGAVSXOGVAAEI-UHFFFAOYSA-N 205.326 3.696 30 20 BHED C[C@H]1CCCCC[C@H]1NCC(C)(C)CCC#N 229697691 QEBGTNGLYGGTEN-UONOGXRCSA-N 236.403 3.875 30 20 BHED C=CCCC[C@@H](C)Nc1cccc(C)n1 302251178 WTOFIFIJCOJBNE-LLVKDONJSA-N 204.317 3.547 30 20 BHED C=CCCSCc1nc(C)sc1C 308382540 RJXSULSELSDDDO-UHFFFAOYSA-N 213.371 3.569 30 20 BHED C=CC[C@H](CC)NCc1ccc(C)cc1C 309429722 FZJGNWNPOCBPCH-HNNXBMFYSA-N 217.356 3.748 30 20 BHED C=C(CC)CN[C@H](C)[C@@H](C)c1ccccc1 309777127 LXONRYXHZZMULG-ZIAGYGMSSA-N 217.356 3.734 30 20 BHED C[C@@H]1CC[C@@H](C)[C@@H](Nc2cccc(CC#N)c2)C1 313419328 AAGOQQDGPGUYPP-IOASZLSFSA-N 242.366 3.989 30 20 BHED C=CCC(C)(C)CNCC1(OC)CCCCC1 318959964 CJKVGNMMQFJJDK-UHFFFAOYSA-N 239.403 3.528 30 20 BHED C=CCCNc1cc(-c2ncco2)ccc1C 340171580 SKQFKIOQRCNTMK-UHFFFAOYSA-N 228.295 3.638 30 20 BHED C=CCCCCN[C@@H](CCC)c1cccnc1 349354191 KVHWYIKFBNYOPJ-HNNXBMFYSA-N 232.371 3.869 30 20 BHED CC(C)(CCC#N)CN1CC2(CCC2)[C@@H]1C1CC1 378141718 QQUYGPTUYOEAAV-AWEZNQCLSA-N 246.398 3.581 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)CCc1ccccc1 393810114 TUHLGBRWBUTDTL-GOEBONIOSA-N 231.383 3.952 30 20 BHED CCc1ccc([C@H](C)NCC(C)(C)CC#N)cc1 414158942 AUEQIBPMMYDUEN-ZDUSSCGKSA-N 244.382 3.839 30 20 BHED C=C(C)CSC[C@H](Cc1ccccc1)OC 419414798 HCNXZRMTWPETQE-AWEZNQCLSA-N 236.380 3.553 30 20 BHED Cc1cc(Cl)cc(C#N)c1OCCCCF 421190175 PYIRWHDKLLPWNW-UHFFFAOYSA-N 241.693 3.649 30 20 BHED C=C(C)C(C)(C)C(=O)N1CCC[C@H]2CCCC[C@H]21 425411174 YBOVSRHAMRPXBW-ZIAGYGMSSA-N 249.398 3.770 30 20 BHED CC(C)CC[C@H]1CC[C@@H](NCCCCC#N)C1 449131254 LDVACMKKHNATIF-LSDHHAIUSA-N 236.403 3.875 30 20 BHED C[C@@H]1CC(NC2CCC(C)(C#N)CC2)C[C@@H](C)C1 449158974 WONGLPKWDXMDQU-ILGZHXLLSA-N 248.414 3.873 30 20 BHED C=C(C)CCN[C@@H]1CCCOc2ccc(F)cc21 453311527 GLCJHSGQOCVIQW-CQSZACIVSA-N 249.329 3.595 30 20 BHED C=C(CC)CN[C@H]1CCCOc2ccc(F)cc21 453360865 NAZPXJGZHWXQTH-AWEZNQCLSA-N 249.329 3.595 30 20 BHED C/C(=C\c1ccccc1)CNCC(C)(C)CC#N 459696416 PLVZVJNJRHDMJH-SDNWHVSQSA-N 242.366 3.619 30 20 BHED C=C(C)CNC(C)(C)c1ccc(OCCC)cc1 483281901 OHDKQOUVIXBJSE-UHFFFAOYSA-N 247.382 3.876 30 20 BHED C=CCCCC(=O)N1CCC[C@H]1CCCCC 489300044 UIRUEIDHJOIIHO-CQSZACIVSA-N 237.387 3.914 30 20 BHED C=C(C)CCOc1c(F)c(F)cc(F)c1F 505474950 WDSTVRFPOPGGRA-UHFFFAOYSA-N 234.192 3.588 30 20 BHED C=C(C)CCc1noc(-c2cccc(C)c2)n1 508666290 YSYBXSCPTZUVLE-UHFFFAOYSA-N 228.295 3.554 30 20 BHED C=CCN(C)C1CCC(C(C)(C)C)CC1 514100596 WVAZVPVQXCKXBE-UHFFFAOYSA-N 209.377 3.709 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 531951135 AOSFMUSSGOSNMR-MELADBBJSA-N 242.366 3.810 30 20 BHED CCN(CC#Cc1ccc(F)cc1)[C@@H](C)C(C)C 533322820 KTLHGJCPQMRHFH-AWEZNQCLSA-N 247.357 3.544 30 20 BHED CC(C)N(CCC#N)Cc1ccc2occc2c1 571364460 GPXJEELRZYHEQW-UHFFFAOYSA-N 242.322 3.557 30 20 BHED CC[C@@H]1CCC[C@@H](CN2CCC[C@@H](CC#N)C2)C1 597176710 JJDRNQPGDNTPLY-OWCLPIDISA-N 248.414 3.828 30 20 BHED CC(C)C(NCc1ccc(CC#N)cc1)C(C)C 612121399 UHMCFENOYHKKJW-UHFFFAOYSA-N 244.382 3.523 30 20 BHED N#Cc1ccnc(S[C@@H]2C=CCCCCC2)c1 619864476 XJKYXTVYYAONHI-CYBMUJFWSA-N 244.363 3.934 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@@]1(C)C(C)C 620857021 JOYXTJPZHAMBBF-WFASDCNBSA-N 237.387 3.530 30 20 BHED C=CCCC(C)(C)NC(=O)CC1=CCCCC1 620858565 JTUINWNQPSTJFX-UHFFFAOYSA-N 235.371 3.738 30 20 BHED C=CCCC(C)(C)NCc1cccc(F)c1 657804798 DOIFKYBJOVZSNK-UHFFFAOYSA-N 221.319 3.660 30 20 BHED C=C(C)CCOC(=O)c1ccccc1OC(C)C 744303562 IDCMZSICOLNJHT-UHFFFAOYSA-N 248.322 3.597 30 20 BHED CC(C)CON=C1CCC[C@@H](C2CC2)C1 749630926 CVTACWDLZUUULJ-GFCCVEGCSA-N 209.333 3.615 30 20 BHED C#CCN[C@@H](c1oc2ccccc2c1C)C(C)C 775407848 GRVUYNHGKAOXAF-OAHLLOKOSA-N 241.334 3.661 30 20 BHED C#CCCCCN[C@@H]1c2cc(C)ccc2C[C@H]1C 779127730 JXZAYTOHSAGNAM-PBHICJAKSA-N 241.378 3.621 30 20 BHED C[C@H]1CCC(=NNC2CCCCC2)C[C@H]1C 786042074 JMTFNIWROIEQIZ-NWDGAFQWSA-N 222.376 3.721 30 20 BHED Fc1cccnc1NN=C1CCC[C@@H](C2CC2)C1 794984518 LIQHHLINQLMLFT-LLVKDONJSA-N 247.317 3.589 30 20 BHED CCCCCCN[C@@H]1CCc2ccc(C#N)cc21 810207269 HAJARFFEFVFUFI-MRXNPFEDSA-N 242.366 3.715 30 20 BHED CC[C@@H]1CCC[C@H](C=NOCC2CC2)C1 814244884 MMUFFOBYUPIPNK-YPMHNXCESA-N 209.333 3.615 30 20 BHED CC(C)ON=C[C@H](C)c1cccc(Cl)c1 835001676 ILLRYHNDBPFCHK-JTQLQIEISA-N 225.719 3.854 30 20 BHED CC(C)c1cccc(NC(=O)C#CC(C)(C)C)c1 837314205 VJNWNQMXAPFRJT-UHFFFAOYSA-N 243.350 3.798 30 20 BHED C=C[C@H](C)N[C@@H](C)c1coc2ccccc12 925262566 NMJNEYWGCFBRCU-QWRGUYRKSA-N 215.296 3.658 30 20 BHED CCc1cccc(C)c1NN=C[C@@H](C#N)C(C)C 1256575971 SQTVGHXQOVGTSL-CQSZACIVSA-N 243.354 3.751 30 20 BHED CC(=NOC(C)(C)C)c1ccc(O)c(Cl)c1 1320295180 VIYVXPVLADDQBY-UHFFFAOYSA-N 241.718 3.585 30 20 BHED C=CCC1(NCc2cccn2C2CC2)CCCC1 1327973014 CDXKSRMPBJYMSR-UHFFFAOYSA-N 244.382 3.802 30 20 BHED C=C(Cl)CN[C@H](CCCC)C1CCC1 1642668607 RJXRZSPPSAOLJG-GFCCVEGCSA-N 215.768 3.687 30 20 BHED C[C@@H](c1ccccc1Cl)N(C)CCCC#N 52163034 ACOUSPNLHMQIMV-NSHDSACASA-N 236.746 3.637 30 20 BHED CC[C@H](C)CN(C)c1ccc(Cl)cc1C#N 52859583 FJHPERBSSLDSND-JTQLQIEISA-N 236.746 3.694 30 20 BHED C=CCOc1cccc(NC(=O)CCC(C)C)c1 55723061 ZYDUOHAFRBMMQP-UHFFFAOYSA-N 247.338 3.626 30 20 BHED C=CC[C@H](C)N[C@H](C)CCc1ccccc1 116907731 DFNAMXKNKSJHHN-UONOGXRCSA-N 217.356 3.562 30 20 BHED C=CC[C@H](C)N[C@H](CC)c1ccccc1 116907925 CGVMOXMLCCTAGA-GXTWGEPZSA-N 203.329 3.692 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc(C)cc1C 161636482 AVGTXFSFJMKVJT-ZIAGYGMSSA-N 217.356 3.919 30 20 BHED C#CCCCN[C@H](C)c1cc2ccccc2s1 184374221 NGMGJVZQERVMSL-GFCCVEGCSA-N 243.375 3.965 30 20 BHED C=CCN(C(=O)/C=C/c1ccccc1)C(C)(C)C 225047156 ZAJTUQJYVUCDER-VAWYXSNFSA-N 243.350 3.513 30 20 BHED CC(C)(C#N)CCn1ccc(-c2cccs2)n1 282068731 YWJHILPUMBMWII-UHFFFAOYSA-N 245.351 3.551 30 20 BHED C#CCCCCN[C@H](CC)c1ccsc1 294492079 YMPSOURVJZCLDX-CYBMUJFWSA-N 221.369 3.592 30 20 BHED C=C(C)CN(CC)Cc1ccc(F)cc1Cl 302741866 LGTURXODDFZQEO-UHFFFAOYSA-N 241.737 3.877 30 20 BHED Cc1cc(NCCC2=CCCCC2)cc(C#N)n1 308279556 WGPVGIKJKYOGJF-UHFFFAOYSA-N 241.338 3.564 30 20 BHED C=C[C@@H](C)N[C@H](CC)c1cc(Cl)ccc1O 310006986 HCAGOPXCIWZOJL-BXKDBHETSA-N 239.746 3.661 30 20 BHED C=CCCNc1cccc(SC)c1C 336660320 RRMUNHYXADKNLX-UHFFFAOYSA-N 207.342 3.705 30 20 BHED C=C(CC)CN1C[C@@H]2CCC(=O)c3cccc1c32 362274478 BTINXQUVVRHMIL-LBPRGKRZSA-N 241.334 3.533 30 20 BHED C[C@@H](c1ccc(C#N)cc1)N1[C@H]2CCC[C@H]1CC2 366665727 MNQVQVJNKOGXOX-RCBQFDQVSA-N 240.350 3.636 30 20 BHED CCC1(NCc2ccc(C#N)cc2F)CCCC1 382606250 TVQVQGQBANNUGT-UHFFFAOYSA-N 246.329 3.510 30 20 BHED C=CC[C@@H](CC)N[C@@H](CC)Cc1ccccc1 393805171 PSYBNJKNGZDDJE-CVEARBPZSA-N 231.383 3.952 30 20 BHED C=CCOCCSCc1cc2ccccc2o1 419444016 SSGXGQJULHJEPO-UHFFFAOYSA-N 248.347 3.869 30 20 BHED C=C(C)CCSCc1cccc(F)c1C#N 427664444 RYWHEDOTKJGKKZ-UHFFFAOYSA-N 235.327 3.897 30 20 BHED C=CCC1(NC(=O)[C@@H](C)C2CCC2)CCCCC1 457860229 BLLPIJHVZIAQOR-ZDUSSCGKSA-N 249.398 3.818 30 20 BHED CC1(C)CCC(CN[C@@H]2CCC[C@H](C#N)C2)CC1 463244297 GPDUEEXAZGSXSF-LSDHHAIUSA-N 248.414 3.875 30 20 BHED C=C(C)CN1CCC(=Cc2ccccc2F)CC1 464875368 KVWPNLDKHAYWSK-UHFFFAOYSA-N 245.341 3.881 30 20 BHED C=CCCCCNC(=O)Nc1ccc(CC)cc1 473495911 FIJXSIYCOLEQHW-UHFFFAOYSA-N 246.354 3.727 30 20 BHED C=CCCC1(C(=O)NCC2(CC)CCCC2)CC1 476336542 AQQPSGIZTPRZOW-UHFFFAOYSA-N 249.398 3.819 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H]1c2ccccc2O[C@@H]1C 570486571 YCCOELXYUOMAKC-JFILPPLUSA-N 245.366 3.699 30 20 BHED C=C[C@H]1CCCCN1C[C@@H](CC)CC(F)F 660428811 GZKJYHSKLFKZHN-RYUDHWBXSA-N 231.330 3.708 30 20 BHED COc1cccc(NN=Cc2ccc(C)s2)c1 725853352 JYUONNLKPXNEII-UHFFFAOYSA-N 246.335 3.511 30 20 BHED C=CCCOC(=O)C[C@@H](CC)c1ccccc1 729074264 NOJIPQATTSHDJR-CYBMUJFWSA-N 232.323 3.690 30 20 BHED CCCCCCC(C)=NNc1ccc(C)nn1 729935604 GKVAFWWDUGAUIK-UHFFFAOYSA-N 234.347 3.543 30 20 BHED Cc1cc(CON=C2CCC2)c2ccccc2n1 742359065 UALURRHIDFVNIZ-UHFFFAOYSA-N 240.306 3.600 30 20 BHED C#CC[C@H](N[C@@H](C)CCC=C)c1ccccc1 756777568 ZTYYDWVYYGGXRS-HOCLYGCPSA-N 227.351 3.695 30 20 BHED C[C@@H]1CCCC(=NNCCC(C)(C)C)C1 782906885 GAFXDDLJSWIMAD-LLVKDONJSA-N 210.365 3.578 30 20 BHED C[C@@H]1CC(=NOC/C=C\Cl)C[C@@H](C)C1 811668523 PHIGCQBXGOEKSS-CMIOBCHKSA-N 215.724 3.568 30 20 BHED CCON(CCCCC#N)CC1CCCCC1 832786366 BCTZCMQVAMPMGV-UHFFFAOYSA-N 238.375 3.514 30 20 BHED C#CCCCCCC=NOCc1ccccc1 834938619 JZWYCNZTYKWOMW-UHFFFAOYSA-N 229.323 3.773 30 20 BHED CCC[C@@H](NCC(C)(C)C#N)c1ccsc1 903101398 HFPFEFAFEAJXEH-GFCCVEGCSA-N 236.384 3.729 30 20 BHED Oc1ccccc1C=Nc1cc(Cl)ccc1F 920945351 WASXDWJTNRGIFC-UHFFFAOYSA-N 249.672 3.935 30 20 BHED CC[C@@H]1CCC[C@H]1CNc1cccc(F)c1C#N 1307123721 QFSBUSZVEGIKOM-NEPJUHHUSA-N 246.329 3.936 30 20 BHED C=C[C@H](CC)CC(=O)N1CC[C@H]1c1ccccc1 1332733950 FHVUCEWNOOVPTJ-HIFRSBDPSA-N 243.350 3.562 30 20 BHED CC[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N 36926878 OQDSXHFXARXQSE-MRVPVSSYSA-N 242.244 3.787 30 20 BHED N#Cc1ccc(NCc2cccs2)cc1Cl 37393336 HEJHNVQUOIORJX-UHFFFAOYSA-N 248.738 3.885 30 20 BHED CCCCCC[C@H](C)N[C@@H](CC)CC#N 49202523 JJYYNXTWVDCHOK-STQMWFEESA-N 210.365 3.627 30 20 BHED C[C@@H]1CCCCC[C@@H]1NCc1cccc(C#N)c1 88505769 TWZCGNRBIBRQCU-CJNGLKHVSA-N 242.366 3.617 30 20 BHED C#CCCCCN[C@H]1CCSc2ccccc21 90397360 HQPUQJSHPHOHKY-AWEZNQCLSA-N 245.391 3.617 30 20 BHED C#CCCCCN[C@@H]1CCCc2sccc21 90397778 ITELOUJWONFBGC-CYBMUJFWSA-N 233.380 3.519 30 20 BHED C=C(CNC1CCCCC1)c1ccccc1 97602925 OSVCYAUEOQUQGH-UHFFFAOYSA-N 215.340 3.622 30 20 BHED CC(C)c1ccc([C@@H]2CCCN2CCC#N)cc1 125506881 FWLIAMPBUJQXLF-INIZCTEOSA-N 242.366 3.861 30 20 BHED C=C(CN[C@@H](C)C(C)(C)C)c1ccccc1 133312944 VOBVJBUYAJTXJQ-ZDUSSCGKSA-N 217.356 3.724 30 20 BHED C=CCCC(=O)N[C@@H](CCC=C)c1ccccc1 133679631 UITQRIVPDAHDJR-HNNXBMFYSA-N 243.350 3.776 30 20 BHED CCN(Cc1ccccc1C(C)(C)C#N)C(C)C 135165166 VJHFPEUJPRZOIT-UHFFFAOYSA-N 244.382 3.718 30 20 BHED C#CCCSCc1ccc(Cl)cc1 162600801 QCEYIMQTEAFXEK-UHFFFAOYSA-N 210.729 3.597 30 20 BHED C#CCCCCC(=O)NC(C)(C)CC(C)(C)C 179703784 BVUHBRWSKWBQTI-UHFFFAOYSA-N 237.387 3.511 30 20 BHED C[C@@H](Oc1ccc(C#N)cc1)c1ccc(C#N)cc1 181117325 UFAAWOIWABFDLL-GFCCVEGCSA-N 248.285 3.570 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc(F)c(F)c1 189776627 KERZVWQHJPPBIE-CYBMUJFWSA-N 239.265 3.506 30 20 BHED CCOc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 193077203 AGGMMSZFKVICHB-QWHCGFSZSA-N 244.338 3.580 30 20 BHED CCCCCCC(=O)N(CC#N)c1ccccc1 194953564 QRQZUFJRGBDMFL-UHFFFAOYSA-N 244.338 3.514 30 20 BHED C=C[C@@H](C)NCc1ccc(-c2ccc(C)cc2)o1 237413185 GBKNXNRHSALVCI-CYBMUJFWSA-N 241.334 3.919 30 20 BHED C=C[C@H](C)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 252715937 XDIHCRAYGXBHEP-XDQVBPFNSA-N 207.361 3.509 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccccc1SC 297948669 UMAIXJVUQMTIRX-UHFFFAOYSA-N 249.379 3.949 30 20 BHED C=CCNc1cc(Cl)c(Cl)cc1OC 306529173 CCKOOYBKRODJBN-UHFFFAOYSA-N 232.110 3.600 30 20 BHED CC[C@H](CC#N)N[C@@H](C)C[C@@H](C)CC(C)C 310039553 XBSUPZFDSSLDIO-MELADBBJSA-N 224.392 3.729 30 20 BHED Cc1nc(Sc2cccc(F)c2)ccc1C#N 310087150 OJZFATXFQSSWNR-UHFFFAOYSA-N 244.294 3.552 30 20 BHED OC(CC1CCCC1)=Nc1cccc2ocnc12 330046238 DVFWHAFZTAVBAQ-UHFFFAOYSA-N 244.294 3.996 30 20 BHED CCCC1(CNCc2ccc(C#N)cc2)CCC1 344767265 BLVWFNNBAHWUCH-UHFFFAOYSA-N 242.366 3.618 30 20 BHED C=CCCC(=O)N1CCC[C@@H]1c1ccc(C)cc1 360279867 ORTZBQOJVXKREX-OAHLLOKOSA-N 243.350 3.625 30 20 BHED C=CCCCCCSCc1nccc(C)n1 362473272 MOGUYFWCEVQIBC-UHFFFAOYSA-N 236.384 3.765 30 20 BHED C=CC(C)(C)CNCc1sccc1Cl 385052015 QZSSRPXEMIJTJV-UHFFFAOYSA-N 229.776 3.703 30 20 BHED C=CCOCCSCc1cc(F)ccc1C 419457923 DAWPNWAUVUFZGR-UHFFFAOYSA-N 240.343 3.570 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cccc(SC)c1 424545836 RLOHOPOGYWTOOW-UHFFFAOYSA-N 249.379 3.949 30 20 BHED C=CCCN1CC[C@H](c2ccc(CC)cc2)C1 433048318 WLOMSTFGPQPRER-INIZCTEOSA-N 229.367 3.614 30 20 BHED C=C1CCN(Cc2ccc(C)cc2Cl)CC1 447345012 HABIRLCCFIPYEO-UHFFFAOYSA-N 235.758 3.800 30 20 BHED N#C[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1 447561367 IAYBBEBQOPNTCH-DGADGQDISA-N 246.398 3.627 30 20 BHED C=CCCCC[C@@H](C)NCCc1ccco1 449063831 RHGGKRFGADIMDA-CYBMUJFWSA-N 221.344 3.547 30 20 BHED C=CCCC(=O)Nc1ccc(CSCC)cc1 456466623 FBXPWSIMIYLCIV-UHFFFAOYSA-N 249.379 3.844 30 20 BHED C=CCCCCCN1CCc2ccsc2C1 488149909 MJZDRQDMGBDJHN-UHFFFAOYSA-N 235.396 3.853 30 20 BHED CC(C)N(CCC(C)(C)C#N)c1ccccc1 538467087 XBFADKLTHRQQDN-UHFFFAOYSA-N 230.355 3.841 30 20 BHED C=CCCCCNC(=O)C[C@H]1CCCC[C@H]1C 546724394 SAOHURCDJBIOTK-ZIAGYGMSSA-N 237.387 3.675 30 20 BHED N#CCCNc1ccccc1CCC(F)(F)F 566128061 LXHPRFFOQLYZCX-UHFFFAOYSA-N 242.244 3.507 30 20 BHED CN(Cc1ccccc1C1CC1)CC(C)(C)C#N 590372137 UBQQWSJANGPKKL-UHFFFAOYSA-N 242.366 3.546 30 20 BHED C=CCCN[C@@H]1CCC[C@H](c2ncccc2C)C1 658113922 JOFHWMDKEWPBNY-LSDHHAIUSA-N 244.382 3.582 30 20 BHED C[C@H](CCC#N)N1CCC(C2CCCCC2)CC1 708770107 JLAADGIBRXYIBA-CQSZACIVSA-N 248.414 3.971 30 20 BHED CCn1c(C)cc(C=NNc2ccccc2)c1C 728225606 VZJTYBPAMSDSPE-UHFFFAOYSA-N 241.338 3.571 30 20 BHED C[C@@H]1CCC[C@H]1/N=C\c1cc(Cl)ccc1O 729641816 YORBJGLURBRFLW-YWQYZOJLSA-N 237.730 3.653 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cc(C)c(OC)cc1C 753671316 WUVWKEIWZZGDCU-STQMWFEESA-N 233.355 3.537 30 20 BHED CC(CC1CCC1)=NNc1ccc([N+](=O)[O-])cc1 758354303 GXRHDTIKDKLYCA-UHFFFAOYSA-N 247.298 3.573 30 20 BHED CCCCCCC[S@@](=O)C[C@@H](C)CC 764562130 FNNYGBZVROXWAN-GXTWGEPZSA-N 218.406 3.752 30 20 BHED CC[C@@H](C)NN=C1CCCC[C@H]1C(C)C 790186065 AMDBFIKZHIAHBO-NEPJUHHUSA-N 210.365 3.577 30 20 BHED C=CC[C@H](N[C@@H]1CCC12CCC2)c1ccncc1 800478437 HFKKCNQXOOTEIZ-LSDHHAIUSA-N 242.366 3.621 30 20 BHED C=CCCCCCCCNC(=O)[C@H](C)C1CC1 811590936 RUUMMHRMUSCBGL-CYBMUJFWSA-N 237.387 3.675 30 20 BHED Fc1ccc(/C=C/C=NOCCC2CC2)cc1 814244953 OOYZNSKRIOGMKW-BALIMQEESA-N 233.286 3.641 30 20 BHED C=C(Cl)CN1CCC[C@H](c2ccccc2)C1 814642535 RGCWDWNHKFBJEU-AWEZNQCLSA-N 235.758 3.619 30 20 BHED C[C@H](C=NOCc1cccnc1)C1CCCCC1 814883780 ABPQHYOKQQUKAE-CYBMUJFWSA-N 246.354 3.800 30 20 BHED C[C@H](NN=C1CCC[C@@H]1C(C)(C)C#N)C(C)(C)C 814937446 GNVAPUQONOBQJC-RYUDHWBXSA-N 249.402 3.716 30 20 BHED CCCC(=NOC[C@@H](C)CC)c1cccnc1 814939551 VISDRDLEXIULGP-LBPRGKRZSA-N 234.343 3.649 30 20 BHED CCCCC(C)=NOCc1ccccc1 839418489 VLTUKVLNETYWGJ-UHFFFAOYSA-N 205.301 3.769 30 20 BHED C=C(C)CON=CC[C@H](C)c1ccccc1 844618799 IJSLDJFIYYBANW-ZDUSSCGKSA-N 217.312 3.759 30 20 BHED C=C[C@H](C)ON=C1CCC(C(F)(F)F)CC1 844622123 UYAODSOMRKKXQF-IENPIDJESA-N 235.249 3.686 30 20 BHED C=CCN(C(=O)/C=C/c1cccs1)C(C)(C)C 857650635 ACBGBBWOXRXCEH-CMDGGOBGSA-N 249.379 3.574 30 20 BHED CC(C)C=NNc1ccccc1C(F)(F)F 866656978 MGLUDYLIQFCTOC-UHFFFAOYSA-N 230.233 3.759 30 20 BHED CC[C@@](C)(NC[C@@H](C)CCC#N)c1ccccc1 877046525 OUXGHHMIAGCJDT-GOEBONIOSA-N 244.382 3.841 30 20 BHED CCOCCSCCCCC1(C#N)CCC1 901497933 BYKRRKMFASDRCJ-UHFFFAOYSA-N 241.400 3.620 30 20 BHED C=C(CC)CNC1(c2ccccc2OC)CCC1 1116479503 CAIDXUBIJBKMKS-UHFFFAOYSA-N 245.366 3.630 30 20 BHED C=C[C@@](C)(CC)c1nnc(CC2CCCC2)o1 1326986481 AYXDUMINJAOCCP-AWEZNQCLSA-N 234.343 3.656 30 20 BHED N#Cc1ccc(NCC(C2CC2)C2CC2)c(F)c1 88457792 IXOWXFFXZHFTMF-UHFFFAOYSA-N 244.313 3.545 30 20 BHED CCCCCCCC[S@@](=O)CCCC 140966366 FSKNVKASXIBLQN-CQSZACIVSA-N 218.406 3.896 30 20 BHED C=CC[C@@H](C)NC1CC(c2cccc(F)c2)C1 167510508 NUBTWTGWQPIRLL-NUYPLMSZSA-N 233.330 3.626 30 20 BHED CCCCCCCC(=O)Nc1ccnc(C)c1 219337568 JMHYGVSZEFLONI-UHFFFAOYSA-N 234.343 3.689 30 20 BHED C#CCCCN[C@@H](C)c1cc(C)c(C)cc1C 224311767 BPXNAIQYMFWOGX-HNNXBMFYSA-N 229.367 3.676 30 20 BHED CC[C@@H](C)CSCc1cc(C#N)ccc1OC 233838562 ORFFSKISVFSXLY-LLVKDONJSA-N 249.379 3.846 30 20 BHED N#CCCCCNCc1ccc2ccccc2c1 237817415 YWPJLKCHWAVQJW-UHFFFAOYSA-N 238.334 3.623 30 20 BHED CCOc1cccc(C=Nc2ccccc2)c1O 254572008 AOOSXBMSPLPVBE-UHFFFAOYSA-N 241.290 3.542 30 20 BHED C#C[C@H](N[C@@H](C)Cc1ccc(Cl)cc1)C(C)C 302374847 OXPDCRRXSABLSX-WFASDCNBSA-N 249.785 3.518 30 20 BHED CCCCCCCSCCOCC 388727067 UGNUIIRXSPIXAP-UHFFFAOYSA-N 204.379 3.727 30 20 BHED CC(C)[C@@H]1CCCC[C@@H]1NCC(C)(C)CC#N 414167856 PXJFSCRZSHNSPV-KBPBESRZSA-N 236.403 3.731 30 20 BHED CC(C)c1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1 442891330 RAIUTCSYLOJTLT-SWLSCSKDSA-N 228.339 3.914 30 20 BHED CCOc1ccc(C#N)cc1N[C@H](C)CC1CC1 468513785 FWQRDBFUJQKJMN-LLVKDONJSA-N 244.338 3.557 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)Cc1cccc(O)c1 482505622 YDXZKPOZNPUFCW-MELADBBJSA-N 247.382 3.514 30 20 BHED N#Cc1ccccc1CN1CC[C@@H]1c1ccccc1 505290925 SZQOCLFMSFVETF-QGZVFWFLSA-N 248.329 3.505 30 20 BHED C=CCOCCS[C@H]1CCCc2ccccc21 555014802 NAYGCJOPSJMGOZ-HNNXBMFYSA-N 248.391 4.000 30 20 BHED C[C@H](C1CC1)N(C)CCC1(C#N)CCCCC1 563203213 XHZSZMIRTUWOHJ-CYBMUJFWSA-N 234.387 3.581 30 20 BHED C=CCCCCSCc1nnc(C(C)C)o1 578970942 TZAXCXICBMTNQO-UHFFFAOYSA-N 240.372 3.783 30 20 BHED C=CCCSCCOc1cccc(C)c1 610088201 TUTHCYHLTYFQTQ-UHFFFAOYSA-N 222.353 3.683 30 20 BHED C/C(C=NNC1CCCC1)=C/c1ccccc1 727652388 HFMNUKOCXRCENL-SDJBDLEBSA-N 228.339 3.608 30 20 BHED C=CCCOC(=O)C[C@@H](c1ccccc1)C(C)C 729074236 LKZONKLAOFRSOE-OAHLLOKOSA-N 246.350 3.936 30 20 BHED CC(C)c1nc(C(=O)/C=C/c2ccccc2)co1 752886060 USLZEFORXYZSHP-CMDGGOBGSA-N 241.290 3.694 30 20 BHED C[C@@H]1C[C@@H]1C=NNc1cccc(C(F)(F)F)c1 758358870 MFZFOVLVKODXBW-RKDXNWHRSA-N 242.244 3.759 30 20 BHED CC(CC1CCC1)=NNc1ncccc1Cl 758372443 NUENXXWSDOURAK-UHFFFAOYSA-N 237.734 3.713 30 20 BHED COc1ccc(NN=C[C@@H]2CCC[C@@H](C)C2)cc1 768366145 CBPBLXSULPRZRP-CHWSQXEVSA-N 246.354 3.919 30 20 BHED C=CCC[C@@H](CC)N[C@@H](C)COc1ccccc1 772950716 PDHIOUVRYLMUID-LSDHHAIUSA-N 247.382 3.788 30 20 BHED Cc1cc(C=NN[C@H]2CCCCC2(C)C)c(C)o1 773126088 RQEQVLHNFNEPIP-AWEZNQCLSA-N 248.370 3.789 30 20 BHED CCC(=NOC1CCCC1)c1ccccc1 774608404 MMTWYLUUEISYRT-UHFFFAOYSA-N 217.312 3.760 30 20 BHED CC(=NOC1CCCCC1)c1ccc(C#N)cc1 777457370 RGHOZFHLMPRWBF-UHFFFAOYSA-N 242.322 3.632 30 20 BHED O=C(/C=C\c1ccccc1)c1ccnc(Cl)c1 779460090 KAUKVDUELNSXTR-SREVYHEPSA-N 243.693 3.631 30 20 BHED Fc1cc(Cl)ccc1C=NNc1ccccc1 783511653 UCUPQLKVOGAAHE-UHFFFAOYSA-N 248.688 3.925 30 20 BHED CCc1ccc(C=NNC2CCCCC2)cc1 786040705 QPXFOKAPOKCWAL-UHFFFAOYSA-N 230.355 3.505 30 20 BHED CCCC[C@@H](C)[C@H](C)NCc1ccc(C#N)cc1 808676833 LRCNRFCDNUDHJZ-KGLIPLIRSA-N 244.382 3.863 30 20 BHED C=CCCCCCCCNC(=O)[C@H](C)CC 811589632 BNAXIYVKOXPYEV-CYBMUJFWSA-N 225.376 3.675 30 20 BHED C[C@H](NN=Cc1ccc(Cl)o1)c1ccccc1 814815306 SOKSBCYHFBOYOV-JTQLQIEISA-N 248.713 3.618 30 20 BHED C=C(C)C(C)(C)C(=O)OCc1sccc1C 820520802 DUHITSMTQBCUCG-UHFFFAOYSA-N 238.352 3.702 30 20 BHED CCc1ccccc1NN=Cc1cccc(F)c1 915051618 KDTQJVRCYGBCOM-UHFFFAOYSA-N 242.297 3.834 30 20 BHED C=C(Cl)CN1Cc2ccccc2C[C@@H]1CC 1193116139 ABSMCLSLMSRASS-AWEZNQCLSA-N 235.758 3.576 30 20 BHED C[C@@H](SCC1(C#N)CC1)c1cccs1 1254265363 UWORUICGVPOQSX-SECBINFHSA-N 223.366 3.846 30 20 BHED C=CCN(CCC(F)(F)F)Cc1ccccc1 77250820 GEVFOZAFTUITNJ-UHFFFAOYSA-N 243.272 3.627 30 20 BHED CCc1ccc(OCCC(C)(C)C#N)cc1 87595004 JMKSFDPBGQTTJY-UHFFFAOYSA-N 217.312 3.568 30 20 BHED C=CCN(C)[C@H](c1ccccc1)C(C)C 112699358 PAISFFPSPFZSJS-AWEZNQCLSA-N 203.329 3.502 30 20 BHED C=C(Cl)CN[C@H](C)c1cc(F)c(F)c(F)c1 129797034 QSSSPUCBWNCDOJ-SSDOTTSWSA-N 249.663 3.507 30 20 BHED CC(C)CC[C@@H]1CCCCN1CCCC#N 158139749 IGENDQLKIKJYSV-AWEZNQCLSA-N 222.376 3.581 30 20 BHED C=C(C)CCNc1cccc(Cl)c1F 168953461 NKZWBNCNOMTEEF-UHFFFAOYSA-N 213.683 3.857 30 20 BHED N#Cc1csc(/C=C/C(=O)c2ccccc2)c1 176836276 SYBFWECOHSVRSP-VOTSOKGWSA-N 239.299 3.516 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1cncc(C)c1 184432145 LXXWAAPHMAUXGO-KBPBESRZSA-N 232.371 3.785 30 20 BHED CCCC[C@@H](CCC)Nc1cccc(C#N)n1 226033070 GEGLJNBFYRHENP-GFCCVEGCSA-N 231.343 3.724 30 20 BHED C=CC[C@@H](CC)Nc1nccc2occc12 336746591 WORBXUKOAWCRDS-SNVBAGLBSA-N 216.284 3.594 30 20 BHED C=C1CCN(Cc2ccc(C(C)C)nc2C)CC1 338983498 YEPLCPFMGAJWLP-UHFFFAOYSA-N 244.382 3.665 30 20 BHED C[C@H]1C[C@@H](C)C[C@H](CCN(C)[C@@H](C)CC#N)C1 345905356 DDQQOCMLLSXSBG-LJISPDSOSA-N 236.403 3.683 30 20 BHED C/C=C/CSCCCOc1cccc(C#N)c1 357339091 BKKCCUATPNQMEF-NSCUHMNNSA-N 247.363 3.636 30 20 BHED CO[C@@H](CSc1ccccc1C#N)CC(C)C 416918333 JBBDAUSFJKOEOE-CYBMUJFWSA-N 249.379 3.711 30 20 BHED C=CCC(C)(C)C(=O)N1C[C@H](C)c2ccccc21 429873799 ZVICYDUBHLLVRW-LBPRGKRZSA-N 243.350 3.739 30 20 BHED C=CCC[C@H](C)NC[C@@H](OCC)c1ccccc1 446832843 AVKUHYGMOCOHNA-GOEBONIOSA-N 247.382 3.709 30 20 BHED C=CCCC[C@@H](C)NC(=O)C1=CC[C@H](C)CC1 455996055 OTCTWJHNPMXLMB-QWHCGFSZSA-N 235.371 3.594 30 20 BHED C/C(=C/c1ccccc1)CNCC(C)(C)CC#N 459696415 PLVZVJNJRHDMJH-KAMYIIQDSA-N 242.366 3.619 30 20 BHED N#Cc1cccc(NCCCCC2CCCC2)n1 462939585 GSHVABMYUVLSQO-UHFFFAOYSA-N 243.354 3.726 30 20 BHED CCCSCc1ccc(Cl)cc1C#N 478922829 MLWUFUASULMCGI-UHFFFAOYSA-N 225.744 3.855 30 20 BHED C=CCCN1CCC[C@@H]1C1CCCCC1 524811397 JCOONNPFDBYDMC-CQSZACIVSA-N 207.361 3.607 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)CC 560029259 SEAPCMYWEJUTKG-RYUDHWBXSA-N 225.376 3.530 30 20 BHED CCC(CC)N(CC)Cc1cc(C#N)ccc1F 581154902 QHFROCNYGMAHSV-UHFFFAOYSA-N 248.345 3.708 30 20 BHED Cc1cccc(-c2ccc(C#N)c(Cl)c2)n1 589962992 OBLOTPONIDGDNI-UHFFFAOYSA-N 228.682 3.582 30 20 BHED C=CCCCCNCc1ccc(F)c(F)c1F 657437896 GGYIMHHJUJQCBP-UHFFFAOYSA-N 243.272 3.550 30 20 BHED CC(C)C(C)(C)CN[C@@H](C)CC(C)(C)C#N 695815802 LUXPQIZAOMNTPB-LBPRGKRZSA-N 224.392 3.587 30 20 BHED Cc1ccc(NN=C2CCC[C@@H]2C)cc1 729140945 QESVEFUSPYUWQR-NSHDSACASA-N 202.301 3.583 30 20 BHED CC(Cc1cccs1)=NNc1ccc(F)cc1 729633232 LTJLOSVIZAFBPW-UHFFFAOYSA-N 248.326 3.918 30 20 BHED CCCC1CCC(=NNc2ccc(F)cn2)CC1 731319078 NMGVDBBKIMNALF-UHFFFAOYSA-N 249.333 3.979 30 20 BHED C=C(Cl)CN1CCC[C@@H](C(C)(C)C)CC1 734853209 WAXFEQJWYIJHCA-GFCCVEGCSA-N 229.795 3.887 30 20 BHED CCCCCCCC(=O)N1C[C@H](C)C[C@H]1C 740839590 MHNVBYWRGULCAN-CHWSQXEVSA-N 225.376 3.604 30 20 BHED COc1ccc(O)c(C=Nc2cscc2C)c1 747691009 SUVANOQRXHPWIT-UHFFFAOYSA-N 247.319 3.521 30 20 BHED C#CCN(C/C(Cl)=C\Cl)C1CCCCC1 763507891 PTLKWAOJMLFAQQ-PKNBQFBNSA-N 246.181 3.573 30 20 BHED C=CC[C@H](N[C@H]1CCCC[C@H]1C)c1ccncc1 766018181 GEUHSJGYTPXPEI-KBMXLJTQSA-N 244.382 3.867 30 20 BHED CCCC(=CC(=O)OCC1(C#N)CCC1)CCC 768087097 UVXYBPWVSCGFJQ-UHFFFAOYSA-N 249.354 3.750 30 20 BHED CC(C)c1nccnc1NN=C1CCC(C)(C)C1 773076804 APDBSGBZXCIHCI-UHFFFAOYSA-N 246.358 3.578 30 20 BHED Cc1ccc(C)c(/C=C\C(=O)c2cscn2)c1 776192429 JVQBHVHZVIULCP-WAYWQWQTSA-N 243.331 3.656 30 20 BHED CCC(CC)NN=C(C)[C@@H](OC)c1ccccc1 782233297 YMXVKQHNTJYEDL-OAHLLOKOSA-N 248.370 3.528 30 20 BHED CCSc1cccc(C=NN[C@@H](C)CC)c1 790191741 WRYGWZGQGMDHBN-NSHDSACASA-N 236.384 3.521 30 20 BHED C[C@H]1CC(C)(C)CC1=NN[C@H](C)C(C)(C)C 793112080 OSEIOPLDPZGBAY-WDEREUQCSA-N 224.392 3.823 30 20 BHED C[C@@H]1CC[C@@H](C=NNc2cccc(Cl)n2)C1 793164022 PWDYJNSHXRTOBQ-NXEZZACHSA-N 237.734 3.569 30 20 BHED C=CCCCCC[C@@H](C)NC[C@]1(C)CCOC1 793543634 VYWSUQHYVZJDPS-CABCVRRESA-N 239.403 3.528 30 20 BHED CCC(C[C@@H](C)CC)=NNc1cccc(F)n1 795008102 VSVFCZWJFQKDCJ-JTQLQIEISA-N 237.322 3.835 30 20 BHED COCCCON=C(C)c1ccc(C(C)C)cc1 795054753 BIOXHCGENIABNK-UHFFFAOYSA-N 249.354 3.587 30 20 BHED CC1(C)CCC[C@@H](C=NOC/C=C/Cl)C1 811667856 FMEJDAZKAWWPOM-ZJTHQYHFSA-N 229.751 3.958 30 20 BHED CC(=NNc1ccccc1F)c1ccc(F)cc1 812458511 DQYIAEJZCZBQRO-UHFFFAOYSA-N 246.260 3.801 30 20 BHED Cc1oc2ccccc2c1C=NOCC1CC1 814243605 GBWJWOBOGHYNOQ-UHFFFAOYSA-N 229.279 3.502 30 20 BHED C[C@@H]1CCC[C@H](C=NOCCC2CC2)C1 814246279 YKXQKOQRJNZWJJ-YPMHNXCESA-N 209.333 3.615 30 20 BHED COc1ccccc1CON=CCCC(C)C 814923423 HJHKOCIUUZRZCL-UHFFFAOYSA-N 235.327 3.634 30 20 BHED C[C@@H](NN=C1CCCCC1(C)C)c1ccncc1 819815532 ARBBIITWKMCGQC-GFCCVEGCSA-N 245.370 3.688 30 20 BHED C=C[C@](C)(CC)C(=O)OC[C@H](CC)CC(F)F 849761378 CIETUUQMKURKGF-ZWNOBZJWSA-N 248.313 3.813 30 20 BHED C=CCN(Cc1cc(C)sc1C)C(C)C 920412223 RXOYKHKQHRZLNO-UHFFFAOYSA-N 223.385 3.761 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1ccc(C)cc1F 929516461 NEDDPRRACPHDFV-NSHDSACASA-N 235.302 3.675 30 20 BHED C=C(C)CCC(=O)Nc1c(F)cccc1Cl 1517916743 PRAVDDLWMKDMLP-UHFFFAOYSA-N 241.693 3.774 30 20 BHED CCCCCC[C@@H](C)Nc1cc(C#N)ccn1 49217872 IVSRAVXKAQYHTK-GFCCVEGCSA-N 231.343 3.724 30 20 BHED Cc1ccc(Cl)c(Oc2cccc(C#N)n2)c1 81621294 NJROUFBWALOFNV-UHFFFAOYSA-N 244.681 3.707 30 20 BHED Cc1ccc2c(c1)c(C#N)cn2Cc1ccccc1 84863826 UITXDGRVLOIIDQ-UHFFFAOYSA-N 246.313 3.870 30 20 BHED CC[C@@H](C)C[C@H](C)Nc1snc(C)c1C#N 86254769 PCRKYUDCVNLAGP-BDAKNGLRSA-N 237.372 3.560 30 20 BHED N#CCCCCN1CCCCc2ccccc21 88333563 SCHHVZLKUANNEP-UHFFFAOYSA-N 228.339 3.523 30 20 BHED Cc1cccc([C@H]2CCCCCN2CCC#N)c1 117897964 ZWGKBYPAWJXVRX-MRXNPFEDSA-N 242.366 3.826 30 20 BHED C=CCC(CC=C)C(=O)N[C@H]1CCCC[C@H]1CC 123230754 MITFQSKHUXQEQH-HIFRSBDPSA-N 249.398 3.840 30 20 BHED C=CCC[C@H](CC)N[C@H](C)c1cccc(O)c1 126629165 NJIABVMPFDXRAG-OCCSQVGLSA-N 233.355 3.788 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H](C)c1ccccc1 131471282 IMCFPGMYVYZUJI-KBPBESRZSA-N 245.366 3.651 30 20 BHED CC(C)(CCC#N)CNc1ccc2c(c1)CCC2 135156965 IWLSGWGDANFJLL-UHFFFAOYSA-N 242.366 3.917 30 20 BHED C=CCCN[C@@H]1C[C@H](C)Sc2sccc21 168556088 UDQZEIXQPGNYOA-GXSJLCMTSA-N 239.409 3.839 30 20 BHED O=C1/C(=C\c2cccs2)Cc2ccc(F)cc21 176411087 NPNIXYMKEJBLIA-YFHOEESVSA-N 244.290 3.710 30 20 BHED CC#CCCCC(=O)Nc1c(C)cccc1CC 184863105 RHXVAWNIPSQFIE-UHFFFAOYSA-N 243.350 3.690 30 20 BHED CC(C)CCN(C)[C@@H](C)c1cccc(C#N)c1 188082950 SVJVNXPRCQRXLC-ZDUSSCGKSA-N 230.355 3.597 30 20 BHED C=CCC1(C(=O)N(C)C2CCCCCC2)CCC1 191859043 QEAAISFWWFKQOS-UHFFFAOYSA-N 249.398 3.914 30 20 BHED Cc1cc([C@H](C)NCC(C)(C)CCC#N)c(C)o1 229693974 BBUYQJOQSZEKHI-LBPRGKRZSA-N 248.370 3.877 30 20 BHED Cc1ccc(C(=O)/C=C\c2ccccc2C#N)cc1 255489188 ZEYTZCZJSZPZAV-KHPPLWFESA-N 247.297 3.763 30 20 BHED FC(F)(F)c1ccccc1CON=C1CCC1 265485199 UMFBNSYVJWORJU-UHFFFAOYSA-N 243.228 3.762 30 20 BHED C=CCC[C@H](NCCCCC#N)c1ccco1 286299342 WOVLCJRFKATOLZ-ZDUSSCGKSA-N 232.327 3.570 30 20 BHED CC[C@@H](C#N)SCc1c(F)cccc1F 289571847 QMCXBPLMMQLEJV-QMMMGPOBSA-N 227.279 3.500 30 20 BHED C=C(C)CN1C[C@H](c2ccccc2C)C[C@H]1C 303805304 XTDVIUBRCIZCAU-HUUCEWRRSA-N 229.367 3.749 30 20 BHED C=CCSCCN[C@H](C)CCC=C(C)C 308988737 KLUBPBWGJMDSFL-CYBMUJFWSA-N 227.417 3.630 30 20 BHED CC/C=C/CCNc1cc(C#N)ccc1C 310018562 MAKUQZJQZVOVKN-SNAWJCMRSA-N 214.312 3.635 30 20 BHED C=CCCCCNCc1ccc([C@H]2C[C@H]2C)o1 310179165 NABGHQFHUOLIRL-OCCSQVGLSA-N 233.355 3.849 30 20 BHED N#CCCCNC1CCC2(CCCCC2)CC1 342184220 RAUDUXWEJDJELW-UHFFFAOYSA-N 234.387 3.773 30 20 BHED CN(CCC#N)Cc1ccc(C2CCCC2)cc1 343761251 RDZOZAXDMJWLHD-UHFFFAOYSA-N 242.366 3.690 30 20 BHED C[C@@H]1CCN(CCCC#N)CC12CCCCC2 360620940 OYFFKLOIUKVPAW-CQSZACIVSA-N 234.387 3.582 30 20 BHED CC(C)(C#N)CCCCN1CCC[C@@H]1C1CC1 364353809 MMZVQXKKGGRWAX-CQSZACIVSA-N 234.387 3.581 30 20 BHED CCCCCCC[C@H](C)NCC1(C#N)CC1 381352639 CEBZSOHQFUWOQS-ZDUSSCGKSA-N 222.376 3.629 30 20 BHED CC(C)(CCC#N)CNCC(C)(C)C1CCC1 384992542 TYLUONGOVMPJTH-UHFFFAOYSA-N 236.403 3.732 30 20 BHED C=C(C)CCNCc1cc(F)cc(Cl)c1 387507691 YJPKZAXIWUHVRC-UHFFFAOYSA-N 227.710 3.535 30 20 BHED C=CCN(CC1CCCCC1)[C@@H]1CC[C@H](C#N)C1 411254278 FPUMONACFQRZNY-JKSUJKDBSA-N 246.398 3.747 30 20 BHED N#C[C@@H]1CC[C@@H](Sc2cc(F)ccc2F)C1 430107714 XXDWCZDKYQUQPM-PSASIEDQSA-N 239.290 3.749 30 20 BHED CCCCNc1ccc(CC#N)cc1Cl 453117968 AOOYRZQTTCJYBO-UHFFFAOYSA-N 222.719 3.618 30 20 BHED C=C(CC)CN[C@H](c1ncc[nH]1)C1CCCCC1 453337411 ALYAVVMAIPXTNE-AWEZNQCLSA-N 247.386 3.587 30 20 BHED C=CCN(C)CCc1cccc2ccccc12 507280526 QYGJFKORWVCNQH-UHFFFAOYSA-N 225.335 3.500 30 20 BHED CC(C)N(CCC#N)Cc1ccc([C@H]2C[C@@H]2C)o1 534341967 CQPZMSZMWOBRCR-JSGCOSHPSA-N 246.354 3.527 30 20 BHED C=C(CC)CSCCOc1ccc(C#N)cc1 536881513 LCLLOKFSGUYDFP-UHFFFAOYSA-N 247.363 3.636 30 20 BHED C=C(CC)COc1ccccc1OC(F)F 539099691 ICNFSPUDVDMXHC-UHFFFAOYSA-N 228.238 3.633 30 20 BHED N#CCCCCSc1c(F)cc(F)cc1F 564767127 AYDCPVDPFRJOHR-UHFFFAOYSA-N 245.269 3.890 30 20 BHED C[C@@H]1CCCC[C@@H]1CN1CCC(CCC#N)CC1 569123396 LNLAOYGURZQIRS-GDBMZVCRSA-N 248.414 3.828 30 20 BHED C=C(C)CSCc1c(C)cc(C)nc1OC 584118614 DKSDLYLIORIXIO-UHFFFAOYSA-N 237.368 3.516 30 20 BHED CCN(CC#N)[C@H](C)c1cccc2ccccc12 591012472 MUYIWOQYCYSKDI-CYBMUJFWSA-N 238.334 3.746 30 20 BHED Cc1oncc1-c1cccc(CC(C)(C)C#N)c1 592989759 YUJWGMQRENMUAS-UHFFFAOYSA-N 240.306 3.742 30 20 BHED CC(C)C1CCC(NC[C@@H](C)CCC#N)CC1 602576870 REYUSKYIPUNUDO-NFOMZHRRSA-N 236.403 3.731 30 20 BHED CCC[C@H](NC[C@@H](C)CCC#N)C(C)(C)C 602677575 YQNNBOXQAIZGTA-STQMWFEESA-N 224.392 3.731 30 20 BHED C=C[C@@H]1CCCCN1Cc1ccc2[nH]ccc2c1 628254004 HWLYXTIXGFQCJG-OAHLLOKOSA-N 240.350 3.708 30 20 BHED C=CCCCCCSc1ccc(C)nn1 641457996 OTQRYMFXWHJCMO-UHFFFAOYSA-N 222.357 3.624 30 20 BHED C=CCCSc1ccc(COC)cc1 673894733 SZVLCADQXQKRDW-UHFFFAOYSA-N 208.326 3.501 30 20 BHED C=C(Cl)CN1CC[C@H](c2ccccc2)[C@@H](C)C1 741809505 ITTNHIGQGUVLNQ-WFASDCNBSA-N 249.785 3.865 30 20 BHED CON=Cc1ccc(-c2cccc(F)c2)s1 750931767 BASBKSNVERAGLV-UHFFFAOYSA-N 235.283 3.535 30 20 BHED C[C@H](CCC(C)(C)C)C(=O)OCCCCC#N 755144071 SFNVZHFJKBSURS-GFCCVEGCSA-N 239.359 3.686 30 20 BHED CCC(CC)NN=C1CCCCC1(C)C 757583863 IBIFLYRMGQCFOE-UHFFFAOYSA-N 210.365 3.721 30 20 BHED CC(CC1CCC1)=NNc1ccc(C)cc1 758358133 GMRVEENMBAMWCC-UHFFFAOYSA-N 216.328 3.973 30 20 BHED CC(=NOCC(F)(F)F)C1CCCCC1 764845373 WCZKCNIJZBYUSL-UHFFFAOYSA-N 223.238 3.522 30 20 BHED C[C@@H]1C[C@H]1C=NNc1c(F)cccc1Cl 769830246 XKHCPKNYVZZWCT-SFYZADRCSA-N 226.682 3.533 30 20 BHED C=CCN(Cc1ccc(CF)cc1)C(C)C 777559207 VJYUZGFHIPMQGK-UHFFFAOYSA-N 221.319 3.553 30 20 BHED C#CCCCOc1cccc(-c2nccs2)c1 790446908 UKQQUFAHRPRWNW-UHFFFAOYSA-N 243.331 3.602 30 20 BHED c1ccc([C@@H]2CCCC2=NOC2CCCC2)nc1 794922998 VJSNLZWLWBYCQC-ZDUSSCGKSA-N 244.338 3.664 30 20 BHED CC(COC(C)C)=NNc1ccc(Cl)cc1 799866098 UEYOCTSFLRGHLF-UHFFFAOYSA-N 240.734 3.553 30 20 BHED CC[C@H](C)NN=C(C)c1c(F)cccc1Cl 807984768 VMEPQJJYMCLNML-QMMMGPOBSA-N 242.725 3.591 30 20 BHED C=C(C)CCNc1ccc(OC(F)F)c(F)c1 809188792 QYJJMKIMDGWNBF-UHFFFAOYSA-N 245.244 3.805 30 20 BHED CC(=NOCc1ccccc1)c1cc(C)oc1C 839420211 YMZAFRZUZAKPQU-UHFFFAOYSA-N 243.306 3.837 30 20 BHED CCC(C)(C)CC(=O)O[C@H](C)CC(C)(C)C#N 851210218 SJSHTMSSULILBV-LLVKDONJSA-N 239.359 3.684 30 20 BHED CCCCCCCC(=O)N(C)[C@H](C)CCC 915097212 COOXPXFQSJYWJR-CYBMUJFWSA-N 227.392 3.994 30 20 BHED N#CC1(CCCCNC2(C3CCC3)CC2)CCC1 930855514 GDVKQZYZQVURNG-UHFFFAOYSA-N 246.398 3.773 30 20 BHED C=C(C)CCC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 1335825379 XHHAZEIFEPDYSU-XJKSGUPXSA-N 243.350 3.562 30 20 BHED Cc1ccc(CS[C@@H](C#N)C2CC2)cc1C 1613639854 LBPCQWWBRLCOGE-AWEZNQCLSA-N 231.364 3.839 30 20 BHED Cc1ccccc1OCc1ccc(C#N)cc1F 19804892 XHEULKPANAITHJ-UHFFFAOYSA-N 241.265 3.585 30 20 BHED CC1(CNc2ccc(F)cc2C#N)CCCC1 111621762 RNRXSNBTABFRHI-UHFFFAOYSA-N 232.302 3.690 30 20 BHED C=CC[C@@H](C)NC(=O)C[C@@H](CC)c1ccccc1 116853601 QMDYUVSTGVDGBT-ZIAGYGMSSA-N 245.366 3.651 30 20 BHED CCCCCCCSc1nnc(C)s1 125363639 QNRUWGLJWGVTCH-UHFFFAOYSA-N 230.402 3.909 30 20 BHED C=CCC[C@@H](C)N[C@H](C)c1cc(C)oc1C 126687411 HLAIDULKBMYFLZ-ZYHUDNBSSA-N 221.344 3.902 30 20 BHED C=CCC[C@H](C)NC1C[C@H](C)C[C@@H](C)C1 126848373 AJAHVSNCTQUCPQ-UPJWGTAASA-N 209.377 3.755 30 20 BHED C[C@@H]1CCC[C@@H](NCc2ccc(C#N)s2)[C@@H]1C 135665759 LEQOSLCFYBCFRG-JTNHKYCSSA-N 248.395 3.534 30 20 BHED C=CCC[C@H](CCC)NCc1ccco1 152052130 BCRFHKKSGYPAJP-LBPRGKRZSA-N 207.317 3.504 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc(CC)cc1 161670339 DLFGMJGZSDWATA-CHWSQXEVSA-N 217.356 3.864 30 20 BHED C=CCCCC(=O)NC(C)(C)c1cccc(F)c1 177874219 HAJDKLGARIQJDX-UHFFFAOYSA-N 249.329 3.533 30 20 BHED C[C@@H](C#N)Oc1ccccc1NC1CCCCC1 180206137 ISNCOPYTMDZNKY-LBPRGKRZSA-N 244.338 3.722 30 20 BHED C=C(C)CN[C@@H](C)c1ccccc1SC 194966633 WXGWDCWSDGSIQE-NSHDSACASA-N 221.369 3.635 30 20 BHED CC(C)c1ccc([C@@H](C)N(C)CCC#N)cc1 194990417 OHWBUSFXPXCXQL-CYBMUJFWSA-N 230.355 3.716 30 20 BHED CC(C)c1ccc([C@H](C)N(C)CCC#N)cc1 194990430 OHWBUSFXPXCXQL-ZDUSSCGKSA-N 230.355 3.716 30 20 BHED C=CC[C@H](C)N[C@@H]1CCC[C@@H](C2CC2)C1 222078059 HYCBRRJKFKXKDD-IACUBPJLSA-N 207.361 3.509 30 20 BHED C[C@@H]1CN(CCCC(C)(C)C#N)[C@@H]2CCCC[C@@H]12 248420816 LZZOMSZWIHZJAV-QLFBSQMISA-N 248.414 3.827 30 20 BHED N#Cc1c(F)cccc1NC[C@@H]1C[C@H]2CC[C@H]1C2 252668139 SKJJIRAEVAZUJP-SRVKXCTJSA-N 244.313 3.545 30 20 BHED Cc1ccc(C(=O)/C=C\c2c(C)noc2C)s1 255731796 YRFBAWOCUNMHHM-WAYWQWQTSA-N 247.319 3.557 30 20 BHED C=CCC[C@@H](NC(=O)/C(C)=C/C)c1ccccc1 269379135 CVJFILPOWRFCJR-DTHCKZEYSA-N 243.350 3.776 30 20 BHED C=C(Br)CSC1CCCCC1 307202667 GASBCNWCGGTESY-UHFFFAOYSA-N 235.190 3.961 30 20 BHED Cc1ccc([C@H](NCCCC#N)C2CCCC2)o1 349720037 IEXOJZCTBPFWLV-OAHLLOKOSA-N 246.354 3.713 30 20 BHED C=CCCCN(CCC#N)CC(CC)CC 362181224 KRWCSIDYFUYSQE-UHFFFAOYSA-N 222.376 3.604 30 20 BHED C=C(CC)CN[C@@H](C)[C@@H]1CC2CCC1CC2 381879837 KHIGHVGVEDGOLE-PPWQZUPISA-N 221.388 3.757 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccccc1 384909376 BLUSLLHPIWKXDF-LBPRGKRZSA-N 203.329 3.549 30 20 BHED C=CC[C@H](CC)N[C@H](C)Cc1ccc(F)cc1 393805862 WNSSLRLSBOEQFE-DOMZBBRYSA-N 235.346 3.701 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H]1CCCC(C)(C)C1 410120716 HOGLSEBYYCVEMQ-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C=CCC[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 449350456 WDXNELPVGJRESP-RYUDHWBXSA-N 248.326 3.600 30 20 BHED C=C(C)CCN[C@H](c1ncc[nH]1)C1CCCCC1 453327542 VZGWQTZXKUCDMT-AWEZNQCLSA-N 247.386 3.587 30 20 BHED CC#CCCCC(=O)N(CC(C)C)C1CCCC1 464566533 FOGWBZWPYSGHAJ-UHFFFAOYSA-N 249.398 3.607 30 20 BHED C=C[C@H]1CCCCN1C(=O)CCC1CCCCC1 488838930 MWMSWVZOYILMJR-HNNXBMFYSA-N 249.398 3.914 30 20 BHED C=CCC(C)(C)CNC(=O)C[C@@H](C)CC(C)C 490035529 CWCAEPXGCXOXRW-ZDUSSCGKSA-N 239.403 3.777 30 20 BHED C=CCN(CC=C)C(=O)CC1CCC(C)(C)CC1 502335168 AKDUGNURLQDXFM-UHFFFAOYSA-N 249.398 3.794 30 20 BHED C=CCOc1cccc(CN2CCCCCC2)c1 505461307 JMSZADYUAPMLBV-UHFFFAOYSA-N 245.366 3.627 30 20 BHED C=CCN(CC=C)C/C=C/c1ccc(F)cc1 505859292 TUTNPYILFGGEDF-AATRIKPKSA-N 231.314 3.513 30 20 BHED C=C(C)CN(C)[C@H]1CCCc2ccccc21 514710974 ZGKFEEVIITVLLL-HNNXBMFYSA-N 215.340 3.572 30 20 BHED C=C(C)CN(CCC)[C@H]1CCc2ccccc2C1 517840876 YZUMESNZDOVDDK-KRWDZBQOSA-N 243.394 3.832 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)CC 560029253 SEAPCMYWEJUTKG-NEPJUHHUSA-N 225.376 3.530 30 20 BHED C=CCCCSc1ccc([N+](=O)[O-])cc1 609804738 DNZFRYBDRAZIOI-UHFFFAOYSA-N 223.297 3.653 30 20 BHED CC[C@H](NC[C@H](C)C1CC1)c1ccc(C#N)cc1 618566864 JUOUHDYMHCIYLR-LRDDRELGSA-N 242.366 3.645 30 20 BHED CCCCCCCN[C@@H]1CCOC2(CCC2)C1 703733298 IVSXPYCTYCXJBJ-CQSZACIVSA-N 239.403 3.648 30 20 BHED C/C(C=NO[C@H]1CCCCO1)=C/c1ccccc1 755817339 ZFQJZFVURYMRIN-SNDGWSJMSA-N 245.322 3.619 30 20 BHED C[C@@H]1C[C@@H]1C=NNc1cccc2c1CCCC2 758372703 QXFZFYVZBMCKTM-DGCLKSJQSA-N 228.339 3.619 30 20 BHED C#CCCCN(Cc1ccccc1)CC1CCC1 766894277 CXIWPOICNSOZRM-UHFFFAOYSA-N 241.378 3.702 30 20 BHED C#CC[C@H](Nc1ncc(C)s1)c1ccccc1 767308224 KODYGDVVRMXGFC-ZDUSSCGKSA-N 242.347 3.628 30 20 BHED CC[C@H]1C[C@@H](C)CCC1=NNc1ccccn1 769568749 KLAFJBSOFPBLHJ-RYUDHWBXSA-N 231.343 3.696 30 20 BHED CCCCCCCOC(=O)/C=C\c1ccc[nH]1 782331605 MIIRVVNPFWNGIN-KTKRTIGZSA-N 235.327 3.542 30 20 BHED C=CCCNc1cc(F)c(OC(C)C)c(F)c1 783886514 XGILKGZQCKKOJP-UHFFFAOYSA-N 241.281 3.740 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)c1ccc(C)c(C)c1 785589773 DNMUSOKFQVTXCA-MRXNPFEDSA-N 245.366 3.869 30 20 BHED CSCCON=CCC[C@H]1C[C@H]2CC[C@H]1C2 794573105 QSSVCUOZZDJJGJ-AGIUHOORSA-N 241.400 3.568 30 20 BHED C1CCC(CNN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)C1 808006991 KGHBVTXYGWFKRR-TUVASFSCSA-N 246.398 3.578 30 20 BHED CCCC(=NOCC(F)F)C1CCCC1 834968313 HZWLWVKHMNUKRC-UHFFFAOYSA-N 219.275 3.614 30 20 BHED C=CCC1(CNC(=O)/C(C)=C\CC)CCCC1 836991541 WETMXHQBXHILLY-JYRVWZFOSA-N 235.371 3.595 30 20 BHED C=C[C@H](C)ON=C(C)Cc1ccccc1C 844620955 BGTNHJMPZIHGIE-ZDUSSCGKSA-N 217.312 3.505 30 20 BHED CC(CC(C)(C)C#N)=NOCc1ccc(F)cc1 853333759 RPIORWBRFTZOSA-UHFFFAOYSA-N 248.301 3.658 30 20 BHED N#C[C@H]1CC[C@H](Nc2ccc(C(F)F)cc2)C1 897107252 RZEGKHIOCVMAFL-CABZTGNLSA-N 236.265 3.728 30 20 BHED C=CCC[C@H](C)Nc1cccc([C@@H](C)C(=O)O)c1 901815180 JAKMORDEXANSRL-NWDGAFQWSA-N 247.338 3.641 30 20 BHED Cc1cc(C)cc(NN=Cc2ccc(F)cc2)c1 916346441 BFSOGFQHIAMNET-UHFFFAOYSA-N 242.297 3.889 30 20 BHED CC1(C)CCC[C@H](Nc2cccc(CC#N)n2)C1 1116719050 SHBBQHPEWOFSHF-ZDUSSCGKSA-N 243.354 3.528 30 20 BHED C=CCCCCOc1cnc(F)cc1Cl 1117970775 CIQAHINBRQDGIX-UHFFFAOYSA-N 229.682 3.609 30 20 BHED CC(C)(C)[C@@H]1CCC[C@@H]1Nc1ncccc1C#N 1163480962 SSGUEXUZQIXYSJ-OLZOCXBDSA-N 243.354 3.580 30 20 BHED CC#CCCSc1ncc(-c2ccccc2)o1 1320251500 KBRUVDAAERDILN-UHFFFAOYSA-N 243.331 3.847 30 20 BHED CC(=NOC(C)(C)C)[C@H](C)c1ccccc1 1324558348 MJVBXMKUWGDCCM-NSHDSACASA-N 219.328 3.981 30 20 BHED CCC[C@@H](Nc1ccc(C#N)cn1)C1CCCC1 1458427941 RAHKPDRHCYGZHA-CQSZACIVSA-N 243.354 3.724 30 20 BHED Cc1ccccc1/C=C/C(=O)c1cccc(O)c1 8322407 AISMGPOAXAQXCV-MDZDMXLPSA-N 238.286 3.597 30 20 BHED N#CCCCOc1ccc(Cl)c2cccnc12 19482703 LUMDGUBOTQXFJD-UHFFFAOYSA-N 246.697 3.571 30 20 BHED CCC(CC)Nc1c(C#N)cnc2ccccc12 37413146 ARQSEGGZNNOZRD-UHFFFAOYSA-N 239.322 3.707 30 20 BHED C=C(CC)CN[C@H](C)c1ccc(C)s1 85057895 JLZLEKHYTGOQSX-LLVKDONJSA-N 209.358 3.673 30 20 BHED CCCCCCCCNC1CCSCC1 105807715 XJZOJIYIRFZRFM-UHFFFAOYSA-N 229.433 3.832 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@@H]1CC 123231326 MITFQSKHUXQEQH-DZGCQCFKSA-N 249.398 3.840 30 20 BHED C=CCC[C@H](C)NCc1ccccc1CC 126849040 KXMQUWPUXQARNW-ZDUSSCGKSA-N 217.356 3.693 30 20 BHED C=CCC(CC=C)C(=O)N1[C@@H](C)CCC[C@H]1C 130679529 DKAUYZGSRHLDTL-BETUJISGSA-N 235.371 3.544 30 20 BHED C[C@@H](CNCC(C)(C)CCC#N)c1ccccc1 135127425 KTKGPXLNWZDCED-AWEZNQCLSA-N 244.382 3.710 30 20 BHED C=CCN(Cc1ccccc1)[C@@H]1C=CCCC1 136724024 CVCWVQZPRKTVNR-MRXNPFEDSA-N 227.351 3.783 30 20 BHED C=CCCN[C@@H](C)c1ccc(F)c(Cl)c1 162201357 GBSZIDAIBUBOIP-VIFPVBQESA-N 227.710 3.706 30 20 BHED C#CCCCN[C@H](CC)c1ccc(Cl)s1 178061481 ZKRDBUZBOKZQBT-SNVBAGLBSA-N 241.787 3.856 30 20 BHED CC#CCCCC(=O)N[C@@H](C)CCC(C)(C)C 185617656 AKXUZVYBMGZPLF-ZDUSSCGKSA-N 237.387 3.511 30 20 BHED CSc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 185724099 MCIKVNWSMDRYGV-WCQYABFASA-N 246.379 3.903 30 20 BHED CCCCCCCNc1cc(Cl)nc(C)n1 225789692 NDPSOICHFVJTRI-UHFFFAOYSA-N 241.766 3.821 30 20 BHED C=CC[C@H](C)[C@H](C)Nc1cnn([C@H](C)C2CC2)c1 249788276 DTYRYAJVKJUXNX-RWMBFGLXSA-N 247.386 3.867 30 20 BHED CCCCCCCCC/C=C\C(=O)NC1CC1 263614912 YHFRZMJIRJLAGT-KHPPLWFESA-N 237.387 3.962 30 20 BHED in-vitro N#CCCN1CC2(CCCC2)[C@H]1c1ccccc1 335220967 XWHGTNJVOWWBPL-OAHLLOKOSA-N 240.350 3.517 30 20 BHED C=CCCCN1CCC(n2c(C)ccc2C)CC1 344591979 ZDZSYKPUMBNQTE-UHFFFAOYSA-N 246.398 3.708 30 20 BHED Cc1ccc(C)c(/C=C/c2ccncc2C#N)c1 347416952 CSTKPZOSFMLAAT-AATRIKPKSA-N 234.302 3.741 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 410138010 ZOBQLXCZUYBRDQ-DGAVXFQQSA-N 237.387 3.530 30 20 BHED C=CCc1cc(C)cc(OC)c1OCCC 438289678 DXWWHSKCILMALC-UHFFFAOYSA-N 220.312 3.521 30 20 BHED CC#CCCN1CC[C@@H](c2ccccc2)C[C@@H]1C 439320586 ODUUQQXARJXWFL-DOTOQJQBSA-N 241.378 3.668 30 20 BHED CC[C@@H](F)CSCc1cc(C#N)ccc1F 442550129 UTVPOIWVZHRDAU-LLVKDONJSA-N 241.306 3.679 30 20 BHED C=CCCCC[C@H](C)N[C@@H](CCO)C(C)(C)C 453188466 BWAYOZUAGLMALH-KBPBESRZSA-N 241.419 3.508 30 20 BHED C=CCCCCCN1CCC[C@@H]1c1cccn1C 488201934 NLTQMUUNHPIHAU-MRXNPFEDSA-N 246.398 3.908 30 20 BHED C=C(C)CN(CC)[C@H](C)c1cccc(C)c1 488611132 PVPCIFYVQIJZQC-CQSZACIVSA-N 217.356 3.954 30 20 BHED C=CCN(CC1CCCCC1)C(=O)C[C@H]1C[C@H]1C 521946011 RWSCPQBOUABSDK-UKRRQHHQSA-N 249.398 3.627 30 20 BHED CC[C@@H](C)[C@H]1CCCCN1CCC(C)(C)C#N 540665576 RNWPENCXNXNCDG-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED C[C@H]1CCCC[C@H]1CN(CC#N)C1CCCC1 541535070 NBYHYEBJDSAKEK-KBPBESRZSA-N 234.387 3.581 30 20 BHED C=CCOCCS[C@H](C)c1ccc(F)cc1 558832149 ZTFNCZWZBZSCQG-LLVKDONJSA-N 240.343 3.823 30 20 BHED CC(C)CCCN[C@@H]1CCc2cc(C#N)ccc21 618831293 HAPMIFUEWVXTLO-MRXNPFEDSA-N 242.366 3.571 30 20 BHED C=CCC(CC=C)C(=O)N1[C@@H](C)CCC[C@H]1CC 620576943 KBGNYTGICQNMHS-DZGCQCFKSA-N 249.398 3.934 30 20 BHED C=CCCC(C)(C)NC(=O)CC(CC)CC 620858672 ODSQWHNUVIVMQZ-UHFFFAOYSA-N 225.376 3.674 30 20 BHED C=C(C)CCNc1c(F)ccc(OCC)c1F 685199249 CEZPGELKLGGFFE-UHFFFAOYSA-N 241.281 3.742 30 20 BHED C[C@H](CC1CCCC1)Nc1cccc(C#N)c1 689787391 WFIPOWYPSVXAMV-GFCCVEGCSA-N 228.339 3.939 30 20 BHED C[C@H](CC(C)(C)C#N)NC(C1CCC1)C1CCC1 710001650 QPQJVMBRGZWFBG-GFCCVEGCSA-N 248.414 3.873 30 20 BHED C=CCCC(=O)NCCCCCCC(C)C 726526276 SZKZBLMQLNVOJJ-UHFFFAOYSA-N 225.376 3.675 30 20 BHED C(=NNc1cccc2ccccc12)c1ccc[nH]1 747060119 IJWHBADCRYTMRP-UHFFFAOYSA-N 235.290 3.614 30 20 BHED C#C[C@@H](CC)NC(=O)[C@@H](CC)CCCCCC 754390762 UQPGHWSMNJEZPI-KBPBESRZSA-N 237.387 3.511 30 20 BHED CCC(=NNc1cc(C)ccn1)c1cccs1 755903962 UGIAIYMWEHLXJM-UHFFFAOYSA-N 245.351 3.678 30 20 BHED CC(C)CC(=NOCC(F)F)c1ccccc1 758902073 AQOAMMHWPZEMNV-UHFFFAOYSA-N 241.281 3.719 30 20 BHED CC(=NNc1cc(C)ccc1F)c1occc1C 767792669 OOPHNYJZIZYUKX-UHFFFAOYSA-N 246.285 3.872 30 20 BHED CC(=NOC1CCCC1)c1c(F)cccc1F 774607720 HQHIPIWWIRINBT-UHFFFAOYSA-N 239.265 3.648 30 20 BHED Cc1c(C#N)cccc1NCCc1cccs1 778613825 QVGIAEVIPJBQTC-UHFFFAOYSA-N 242.347 3.583 30 20 BHED C=CCCCCCCCCNC(=O)[C@@H]1C[C@H]1C 805277353 APRIYIXCOMXWBC-ZIAGYGMSSA-N 237.387 3.675 30 20 BHED CC[C@H]1CCC1=NNc1nc2ccccc2s1 807943678 PHEZYAAVXPKLKZ-VIFPVBQESA-N 245.351 3.884 30 20 BHED C#CCCc1noc([C@@](C)(CC)CCCCC)n1 809397150 YEMLSVVXCNXQTJ-HNNXBMFYSA-N 248.370 3.883 30 20 BHED CCCC[C@H](C)C(C)=NOC/C=C\Cl 811670621 WXQSIZOJXIEQOA-HPTLUCBDSA-N 217.740 3.958 30 20 BHED C=CCCCC[C@@H](C)Nc1cnn(C)c1C1CC1 824181782 VLVVULOWLGKCDQ-GFCCVEGCSA-N 247.386 3.844 30 20 BHED CC(=NOC(C)C)c1sc(C(C)C)nc1C 835000822 RXMCGFXPIHEJRI-UHFFFAOYSA-N 240.372 3.724 30 20 BHED C[C@H](C#N)OCCSCCC1=CCCCC1 842184630 UJOIVJOAGFLXTQ-GFCCVEGCSA-N 239.384 3.539 30 20 BHED C=C1CC(c2noc(-c3csc(C)c3C)n2)C1 896884301 OVTBJNQSJJXQSQ-UHFFFAOYSA-N 246.335 3.849 30 20 BHED C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CC(C)C 931280711 QQDYLYZINJNTCU-KBPBESRZSA-N 237.387 3.626 30 20 BHED C=C(Cl)CN(CC)c1ccc(C)cc1C 1307534826 HSKWAWAEWZTYTG-UHFFFAOYSA-N 223.747 3.882 30 20 BHED CCC/C(C)=C/C(=O)O[C@H](CC#N)c1ccco1 1345548723 WGHXMTGFKPZYSW-OCHBPSSRSA-N 247.294 3.524 30 20 BHED C=C(Cl)CN[C@]1(c2ccccc2)CC1(C)C 1473675308 MRIXESFMPOECQM-AWEZNQCLSA-N 235.758 3.654 30 20 BHED C=C(Cl)CN1CCCCc2ccccc21 1652713961 HJOVOEHUSJDMBM-UHFFFAOYSA-N 221.731 3.582 30 20 BHED N#Cc1cccc2c1CCN2CCCC1CCC1 1653952323 AKZWPEJUQPDYQW-UHFFFAOYSA-N 240.350 3.501 30 20 BHED CC(C)C1CCN(CC(C)(C)CCC#N)CC1 93682621 FXIHOUZUFFYCNS-UHFFFAOYSA-N 236.403 3.684 30 20 BHED CC(C)(C)[C@H]1CCCC[C@@H]1NCCCCC#N 108367297 ASUCJPQVSSRFDM-KBPBESRZSA-N 236.403 3.875 30 20 BHED CCCCCCCCN[C@H](CC)CC#N 111865389 JMRPACXAYSTITB-CYBMUJFWSA-N 210.365 3.629 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cccc(C)c1C 122957259 QDKZGBUXWAXKMY-YPMHNXCESA-N 203.329 3.529 30 20 BHED CC[C@H](CC#N)NC1CCC2(CCCC2)CC1 129379647 PWXVXPJDYIFEQG-CYBMUJFWSA-N 234.387 3.771 30 20 BHED C[C@@H](C#N)Nc1cc(Cl)cc(C(F)(F)F)c1 130936965 PLJKZFOWZRGGMI-LURJTMIESA-N 248.635 3.683 30 20 BHED O=C(/C=C\c1ccccc1)c1ccc(Cl)nc1 147602894 KBMFZBGIXAFOSU-VURMDHGXSA-N 243.693 3.631 30 20 BHED C[C@@H](CC1CCCC1)NCc1cccc(C#N)c1 156480066 UJBAUZQXCBUNBJ-ZDUSSCGKSA-N 242.366 3.617 30 20 BHED C=CCCNC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 162260772 WOJKODZOVJCJKQ-DZGCQCFKSA-N 245.366 3.509 30 20 BHED C=CC[C@H](C)NCc1cccc(C2CC2)c1 169110870 VAMJJUXVWBNYQR-LBPRGKRZSA-N 215.340 3.618 30 20 BHED C=C(C)CN(C)C(=O)Nc1ccc(C(C)C)cc1 181496954 HTBWBYPTPSNIQU-UHFFFAOYSA-N 246.354 3.850 30 20 BHED C#CCCCN[C@@H](C)c1ccc(CCC)cc1 224305287 FHQNPVFDSVWRAI-AWEZNQCLSA-N 229.367 3.703 30 20 BHED C=CC[C@H](C)[C@@H](C)Nc1cnn([C@H](C)C2CC2)c1 249788277 DTYRYAJVKJUXNX-YNEHKIRRSA-N 247.386 3.867 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)Cc1ccccc1C 276094303 ZNAFMXRVZFJMBQ-MRXNPFEDSA-N 245.366 3.556 30 20 BHED N#CCc1cccc(NC[C@@H]2C[C@H]3CC[C@H]2C3)c1 313449349 OVRIZQUSQUVPOM-KKUMJFAQSA-N 240.350 3.601 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1cnccc1C 344281051 AGWYXIGSHORCJO-KGLIPLIRSA-N 232.371 3.785 30 20 BHED C=C(C)CCc1noc([C@@H]2CC23CCCC3)n1 351641055 LSDGTYQHOPMFRC-NSHDSACASA-N 232.327 3.626 30 20 BHED C=CCC[C@H](N[C@@H](C)[C@@H](C)OC)c1ccccc1 358343344 SRNLWPKFJUZVCC-LZWOXQAQSA-N 247.382 3.707 30 20 BHED N#Cc1ccccc1CSCCC1CC1 358665179 VOVRRIGWBLFHLG-UHFFFAOYSA-N 217.337 3.592 30 20 BHED C=CC[C@H](CC)NCc1sccc1C 393681545 DJEPXGYTQUOIHY-NSHDSACASA-N 209.358 3.501 30 20 BHED CC(C)Oc1cccc(OCCC(C)(C)C#N)c1 410316233 YRGKVTCTFRXZJD-UHFFFAOYSA-N 247.338 3.792 30 20 BHED C=CCCCNc1c(OC)cccc1SC 417066455 BZFTZKNYCRWMFO-UHFFFAOYSA-N 237.368 3.795 30 20 BHED C=CCC(C)(C)CNC(=O)C(C)(C)C1CCC1 452138978 LNWGACZZPKDCOU-UHFFFAOYSA-N 237.387 3.531 30 20 BHED C=CC[C@H](C)[C@@H](C)NCCCc1ccccc1F 475568644 OLZNBIRRKGYOIH-UONOGXRCSA-N 249.373 3.949 30 20 BHED C=CC[C@H](C)N[C@H]1c2cc(C)ccc2C[C@H]1C 494038919 NGBNXFHBVQZGQF-DVOMOZLQSA-N 229.367 3.783 30 20 BHED C=C(CC)CN1CCSC[C@H]1c1ccccc1 536891843 YKLLRBDHONDJRO-HNNXBMFYSA-N 247.407 3.743 30 20 BHED C=CCC[C@H](CC)NCC[C@H]1CCO[C@@H](C)C1 541559673 BPAVLLWINZNVMD-KKUMJFAQSA-N 239.403 3.526 30 20 BHED C=CCCN(C)[C@H](C)c1ccc(Cl)cc1 545330675 JZAZHAUWWGSXNI-LLVKDONJSA-N 223.747 3.909 30 20 BHED C=CCCCCCSc1nc(C)c(C)[nH]1 569083410 LWXRSCUJBBJPIP-UHFFFAOYSA-N 224.373 3.865 30 20 BHED C=C[C@](C)(CC)c1nc(-c2sccc2C)no1 582492721 QQTZEMFVWLKASU-CYBMUJFWSA-N 248.351 3.960 30 20 BHED COCc1ccc(S[C@H]2CC[C@@H](C#N)C2)cc1 590728719 QNESFJJJGXZMTN-OCCSQVGLSA-N 247.363 3.617 30 20 BHED C=CC(C)(C)CNC(=O)c1ccc(C2CC2)cc1 615832445 LCDYOHBBCGFRCK-UHFFFAOYSA-N 243.350 3.506 30 20 BHED C=CCCN(C)C(=O)C[C@H](C)CCC=C(C)C 648365278 AKLJPQATHUAQAA-CQSZACIVSA-N 237.387 3.794 30 20 BHED C[C@H](CCC#N)N1CCC(C)(C)CC(C)(C)C1 688280339 QWRFBPIPQZIAQH-CYBMUJFWSA-N 236.403 3.827 30 20 BHED C#C[C@H](NC(=O)CCCC1CCCCC1)C(C)C 700579638 JXTIENLZKOYSOI-HNNXBMFYSA-N 249.398 3.511 30 20 BHED CCC(CSc1ccc(Cl)cc1)=NOC 734299399 XBWFPFKZORNERF-UHFFFAOYSA-N 243.759 3.845 30 20 BHED C=C(C)COC(=O)C(CC)(CC)c1ccccc1 744040569 RSSFBYHWVZHICY-UHFFFAOYSA-N 246.350 3.864 30 20 BHED CC(C)[C@H]1CCCC1=NNc1ccccc1 747737385 ZJKXCTBXRQTMSB-CYBMUJFWSA-N 216.328 3.911 30 20 BHED FC(F)(F)CON=C1CCC[C@H](C2CC2)C1 764846846 RMEOAPNQGFIIMK-VIFPVBQESA-N 235.249 3.522 30 20 BHED CCCCCC(C)=NNc1nccnc1C(C)C 773079045 SGULROGMJQHPHH-UHFFFAOYSA-N 248.374 3.968 30 20 BHED CCC[C@@H](C)C(CC)=NNc1ccnc(F)c1 781126938 HNAJCQTWQOTCSX-SNVBAGLBSA-N 237.322 3.835 30 20 BHED CC[C@H](C)CON=C(C)Cc1ccsc1 793147083 YMFGGLUWNLYKAJ-JTQLQIEISA-N 225.357 3.729 30 20 BHED C=CCCCCCCNC(=O)c1ccoc1CC 805220848 HPMBQCNLEVRWOS-UHFFFAOYSA-N 249.354 3.708 30 20 BHED C=CCCCCCCN[C@H](C)[C@H]1CCCOC1 806167795 KMJGOCJRBGFUKS-CABCVRRESA-N 239.403 3.528 30 20 BHED C=CCCCCCCCN[C@@H](C)c1cnn(C)c1 810242759 HHLZNGTXYSHFKU-AWEZNQCLSA-N 249.402 3.597 30 20 BHED C[C@H]1CC(C)(C)CC1=NOC/C=C/Cl 811668221 LWOORZDWUVTLKZ-HTZFNECMSA-N 215.724 3.568 30 20 BHED C=CC(C)(C)C(=O)Oc1ccc(SC)cc1 822251684 ULTLYEVNBNPINL-UHFFFAOYSA-N 236.336 3.526 30 20 BHED C=CC[C@H]1CCCCC1=NNCCC(F)(F)F 853341889 YYXNAWABMBTSIQ-JTQLQIEISA-N 248.292 3.651 30 20 BHED C[C@H]1CCCCN1N=C1CCC12CCCC2 853379393 IMWHXLPKRKFUPO-LBPRGKRZSA-N 220.360 3.571 30 20 BHED Cc1ccc(NN=C2CC(C(F)F)C2)cc1F 853438775 NDBPJWRQOLHCKV-UHFFFAOYSA-N 242.244 3.577 30 20 BHED CCCCCCCC(=O)Nc1cc(F)ccn1 857312773 BYHRYWHIULJEFK-UHFFFAOYSA-N 238.306 3.520 30 20 BHED CCCCCCCNC(=O)c1c(C)coc1C 862355692 NGUNNDIGLYLJFM-UHFFFAOYSA-N 237.343 3.597 30 20 BHED CC(=NOCCC(C)(C)C#N)c1ccc(F)cc1 902856354 JSTHBIQVTPSHEE-UHFFFAOYSA-N 248.301 3.506 30 20 BHED CC(C)CC=NNc1nccc2sccc12 915980610 WFKFPMREXOMYAP-UHFFFAOYSA-N 233.340 3.740 30 20 BHED CC(=NNc1ccc(F)cc1)c1ccc(C)o1 916268159 NCXWKLKECRIBQV-UHFFFAOYSA-N 232.258 3.563 30 20 BHED Cc1ccc(C)c(NN=Cc2ccccc2)c1 916345808 MVHPCUBMJQDFFO-UHFFFAOYSA-N 224.307 3.749 30 20 BHED CC(C)CON=CCc1ccc(F)cc1Cl 1339128291 RXENDPGNZHOQAY-UHFFFAOYSA-N 243.709 3.680 30 20 BHED C=C(CC)C(=O)Nc1ccc(C)cc1SC 1348727837 QFNMBHGXIXHGFG-UHFFFAOYSA-N 235.352 3.622 30 20 BHED C=CCC[C@H]1CCCN1C(=O)[C@@H](CC)CCC 1514858260 DUBVBYPMGQZYED-KBPBESRZSA-N 237.387 3.770 30 20 BHED CC[C@@H](C#N)Sc1nc2cc(C)ccc2s1 1652214193 OUDJZDHBGPSKKP-VIFPVBQESA-N 248.376 3.999 30 20 BHED CCC1(CC)CCN(CC2(CC#N)CC2)CC1 88259509 MAJGEYIPRRWHKS-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=CCC[C@@H](N[C@H](CC)COC)c1ccccc1 90580843 KOSHUYIXHZPRJZ-HZPDHXFCSA-N 247.382 3.709 30 20 BHED C#CCCNc1ccccc1Oc1ccccc1 110923224 LYJZULZBKOWCNO-UHFFFAOYSA-N 237.302 3.914 30 20 BHED C=CCC(CC=C)C(=O)N[C@H](C)CCCCC 122489369 ILFLDHJNGHLBSK-CYBMUJFWSA-N 237.387 3.840 30 20 BHED C=CCCCC[C@H](C)NCc1nc(C)cs1 131932464 ABIYPPOENOHYTC-NSHDSACASA-N 238.400 3.676 30 20 BHED C=C(Cl)CN[C@H](c1ccc(C)cc1)C1CC1 162084933 VUMIDVOJONADQZ-CQSZACIVSA-N 235.758 3.788 30 20 BHED CCCC[C@@H](C)Nc1ccccc1O[C@@H](C)C#N 162264964 UVBPVYHMEUHEMV-OLZOCXBDSA-N 246.354 3.968 30 20 BHED CC#CCSCc1csc(-c2ccoc2)n1 166691428 OKCKCOXSRZVWKJ-UHFFFAOYSA-N 249.360 3.660 30 20 BHED C[C@H]1[C@H](c2ccccc2)CCN1CCCCC#N 177544726 HYIRPKWVXJFYMM-GOEBONIOSA-N 242.366 3.558 30 20 BHED CC(C)[C@H](C)N(Cc1ccc(C#N)s1)C1CC1 179496418 FGBRACRZIZNIEJ-NSHDSACASA-N 248.395 3.629 30 20 BHED CCCC[C@@H](NCCCCC#N)C1CCC1 184880776 MRPYABKNVJDQDF-CQSZACIVSA-N 222.376 3.629 30 20 BHED C#Cc1cccc(N[C@H](C)C2CCSCC2)c1 192735548 QNEZSESUTSKCEE-GFCCVEGCSA-N 245.391 3.612 30 20 BHED CC[C@H]1CCCN(CCCCC(C)(C)C#N)C1 234078212 OFBHBJOCPLWWAM-AWEZNQCLSA-N 236.403 3.828 30 20 BHED C=C(C)CON=C(C)CCc1ccc(OC)cc1 255069569 AIAURWMXYSYXRP-UHFFFAOYSA-N 247.338 3.596 30 20 BHED N#Cc1ccc(/C=C\c2coc3ccccc23)nc1 255301970 LYAVFXQIILSPJP-VURMDHGXSA-N 246.269 3.870 30 20 BHED N#C[C@@H]1CC[C@@H](Sc2nc3ccccc3o2)C1 278537225 JHRFMXASTLDJQD-NXEZZACHSA-N 244.319 3.612 30 20 BHED CC[C@H](N[C@@H]1CC=CCC1)c1ccc(C#N)cc1 278719824 MDGGBQXJHXSEAU-CVEARBPZSA-N 240.350 3.708 30 20 BHED Cc1cccc([C@@H](NCCC#N)C(C)(C)C)c1 299144553 WOFGEPMXAKCWQW-CQSZACIVSA-N 230.355 3.586 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1cccc(CO)c1 305763030 DFWXHYSNWBGFHY-KBPBESRZSA-N 247.382 3.574 30 20 BHED Cc1nc(N[C@@H]2CCC2(C)C)c(Cl)cc1C#N 310163756 RCPUAVJOTNOALS-LLVKDONJSA-N 249.745 3.516 30 20 BHED C=CCCCCN[C@H](C)c1cccc(OC)c1 310275870 JNSNGWRPQZKTOV-CYBMUJFWSA-N 233.355 3.702 30 20 BHED N#CCC1(CN[C@H]2CCCCC23CCCC3)CC1 310807848 YWMUQKRIAVOYKW-AWEZNQCLSA-N 246.398 3.773 30 20 BHED C=C(CC)CNC1CC(c2cccc(F)c2)C1 313487985 ZEGULBPSKQHPEH-UHFFFAOYSA-N 233.330 3.628 30 20 BHED N#Cc1cccc(SCCC(F)(F)F)c1 341521504 BKQOXHKEEYYXOA-UHFFFAOYSA-N 231.242 3.603 30 20 BHED CC(C)[C@@H]1CCc2ccccc2N1CCCC#N 342558225 XNBMWCLZKBJJJD-HNNXBMFYSA-N 242.366 3.768 30 20 BHED C=CCCC1(C(=O)N2CCCCC[C@H]2C)CC1 361707306 VLDSOYFSVICSLZ-CYBMUJFWSA-N 235.371 3.524 30 20 BHED C=CCCCN[C@@H](C)c1ccc(OCC)cc1 379717020 OWFGPJWKWKVODX-ZDUSSCGKSA-N 233.355 3.702 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1cc(C)ccc1O 384933837 IUWOFBUJFUYBOK-LBPRGKRZSA-N 233.355 3.563 30 20 BHED C[C@H](N[C@H](C)CCC1CC1)c1ccc(C#N)cc1 398108819 XEFGPFBSOMVWLU-OLZOCXBDSA-N 242.366 3.788 30 20 BHED C=CCN(C)Cc1ccc(-c2ccc(F)cc2)o1 428391380 QTPQKAFPVVATAZ-UHFFFAOYSA-N 245.297 3.704 30 20 BHED Cc1cc(CN2CCCC(C)(C)[C@@H]2C#N)cs1 449283360 LLPYIXOWXWAKKI-ZDUSSCGKSA-N 248.395 3.571 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H]1CCC 451249995 QPHMPZFVJSLETD-RBSFLKMASA-N 249.398 3.770 30 20 BHED C=C(CC)CNC(=O)Nc1ccccc1C(C)C 454156000 BUQJCNUOEVXEPV-UHFFFAOYSA-N 246.354 3.898 30 20 BHED C=CC[C@@H](C)[C@@H](C)Nc1cccc2c1CCO2 475486820 LPTVDJPBXWCTAO-VXGBXAGGSA-N 231.339 3.634 30 20 BHED CC[C@@H]1CCCCN1Cc1ccc(C#N)c(C)c1 486814557 JCCWCOAOLAFVDU-MRXNPFEDSA-N 242.366 3.631 30 20 BHED C=C(C)CCN(CCCC)CC(F)(F)F 509686848 SWBRTHSOIDCCLV-UHFFFAOYSA-N 223.282 3.617 30 20 BHED C=CCCN1CCC[C@@H]1CCc1ccccc1 524812204 ZESPUELZXYFSKW-MRXNPFEDSA-N 229.367 3.660 30 20 BHED C=CCN[C@@H](c1cccc(F)c1)C1CCCC1 537125149 ZDRXLPJFTIBXEU-OAHLLOKOSA-N 233.330 3.833 30 20 BHED C=CCCN(C)[C@@H](C)c1ccc(Cl)cc1 545330676 JZAZHAUWWGSXNI-NSHDSACASA-N 223.747 3.909 30 20 BHED CC(C)(CCC#N)CN1CC(C)(C)[C@H]2CCC[C@H]21 552138416 PKUGQXOOXLFRMC-UONOGXRCSA-N 248.414 3.827 30 20 BHED C=CCN(Cc1ccc(OC)cc1)[C@@H](C)CCC 561821879 NWZJVCHDYWGMHE-AWEZNQCLSA-N 247.382 3.872 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1NCC(C)(C)CC#N 595054304 ZCWXTSBPGFORSV-KGLIPLIRSA-N 234.387 3.651 30 20 BHED C=C(CC)CSCc1cc(C)ccn1 616309215 JFSWTCHQAFAGDL-UHFFFAOYSA-N 207.342 3.589 30 20 BHED C=CCN(C(=O)C[C@H]1CC[C@@H](C)C1)C(C)(C)C 622944222 KGVWJUCRODNPNO-OLZOCXBDSA-N 237.387 3.626 30 20 BHED CCc1ccc(C=NNc2ccccc2)s1 731150369 GZWQCSKGSZKUAS-UHFFFAOYSA-N 230.336 3.757 30 20 BHED C=CCCCN(C)C1CCCCCCC1 735490634 MEKXYHRKWWKUHI-UHFFFAOYSA-N 209.377 3.997 30 20 BHED CC#CCOC(=O)[C@@H](CC)CCCCCC 745054512 ZARSHXWAFGYPNG-ZDUSSCGKSA-N 224.344 3.550 30 20 BHED CC(=NO[C@@H]1CCCCO1)c1ccc(C)cc1C 755815903 SPOBBDIQICLWSD-OAHLLOKOSA-N 247.338 3.571 30 20 BHED C#CC[C@@H](/N=C\c1ccccc1O)c1ccccc1 756845123 BGKBRLJCJHGRBQ-OKSBFYSISA-N 249.313 3.576 30 20 BHED CC1=CCC[C@H](C)[C@H]1C=NNc1ncccc1C 790188427 YUZLRJLXQDZKAC-JSGCOSHPSA-N 243.354 3.780 30 20 BHED C(=NNC1CCCCC1)c1ccc2occc2c1 794933150 PCDAOFCDFCWSCL-UHFFFAOYSA-N 242.322 3.689 30 20 BHED C=CCCCCCCNC(=O)/C=C/c1ccco1 805220526 VHWWNACQCILIGC-ZHACJKMWSA-N 247.338 3.546 30 20 BHED CCC(Cc1cccs1)=NOC1CCC1 812237382 XIFLITCUHKJWFI-UHFFFAOYSA-N 223.341 3.626 30 20 BHED Cc1ccc(NN=C2C[C@@H](C)CC[C@@H]2C)nc1 834954196 KPIXCSDISLIOJP-JQWIXIFHSA-N 231.343 3.614 30 20 BHED CCC(C=NOCc1ccccc1)CC 839418953 IIRLRTDFTMOVKP-UHFFFAOYSA-N 205.301 3.625 30 20 BHED CCO[C@@H](C)Sc1ccc(C#N)cc1Cl 901508929 OFFAWBCOQQBKIN-MRVPVSSYSA-N 241.743 3.686 30 20 BHED CON=C(C)c1ccc(Oc2ccccc2)cc1 915958051 JSQVRAFIZKHROZ-UHFFFAOYSA-N 241.290 3.849 30 20 BHED CC(C)(C)ON=Cc1cc2ccccc2o1 1319578283 UEKAKGVAUNAJRF-UHFFFAOYSA-N 217.268 3.582 30 20 BHED C=CCCC[C@H](C)NC(=O)CC(C1CC1)C1CC1 1319838392 DMFRQEYPQHPQAH-LBPRGKRZSA-N 249.398 3.674 30 20 BHED N#Cc1ccc(OCCC(F)=C(F)F)cc1F 1643709885 IWNSAWQKZLELOW-UHFFFAOYSA-N 245.175 3.544 30 20 BHED CN(CCC(C)(C)C)Cc1ccc(F)cc1C#N 1654013735 YCVANUATIWFJOM-UHFFFAOYSA-N 248.345 3.565 30 20 BHED C=CCc1ccc(OCC=C(C)C)c(OC)c1 14589804 AJQKVRDKBABNPR-UHFFFAOYSA-N 232.323 3.769 30 20 BHED biogenic C[C@H]1CCC[C@@H]1Nc1cc(Cl)ccc1C#N 70832512 FUTDXHWHCCNHHQ-CABZTGNLSA-N 234.730 3.812 30 20 BHED N#CCC1(COC(=O)CC2CCCCCC2)CC1 79168473 PVUDBUARAPNEFI-UHFFFAOYSA-N 249.354 3.584 30 20 BHED N#Cc1cc2ccccc2nc1N[C@H]1CC=CCC1 88748712 NVESTYMTOYLKEU-AWEZNQCLSA-N 249.317 3.627 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCC[C@H](C)[C@H]1C 126699849 QPSIVVSFIONPJB-IGQOVBAYSA-N 209.377 3.755 30 20 BHED C=CCC[C@H](C)Nc1cc(NC(C)=O)ccc1C 130665771 GWNWKULTAOYZKU-LBPRGKRZSA-N 246.354 3.720 30 20 BHED C=CCCCC(=O)N(C)[C@@H](C)c1ccccc1F 175238299 QIKALMUWXROAGK-LBPRGKRZSA-N 249.329 3.701 30 20 BHED C[C@@H]1CCC[C@@H](CNCc2ccc(C#N)s2)C1 176954586 TYLHIMIFIMFLEG-VXGBXAGGSA-N 248.395 3.536 30 20 BHED C=CCC1(C(=O)N2CCCC(C)(C)CC2)CCC1 188091269 FBDGJJVFHDAMDX-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C(/C=C/c1ccccc1)=NOCc1ccccc1 256012924 YEIYKGLXVNFERV-RMPAWCBFSA-N 237.302 3.902 30 20 BHED CC[C@H](CC#N)N[C@@H]1CCC[C@@H]1c1ccccc1 274391389 VTGZXYVHYCFYNN-BZUAXINKSA-N 242.366 3.605 30 20 BHED C=CCCCCN[C@H](CCC=C)C1CC1 308990805 LCRXBTZGNUFTOU-CQSZACIVSA-N 207.361 3.677 30 20 BHED C=CCCCN[C@H](C)c1cccc(C)c1C 309497028 UDCYHKLTDNHSBJ-CQSZACIVSA-N 217.356 3.920 30 20 BHED CC[C@@](C)(C#N)c1nc(C2CCC(C)CC2)no1 346277879 RGGRNIHBAXLRGV-MGULZYLOSA-N 247.342 3.555 30 20 BHED N#Cc1cnccc1/C=C\c1cc(Cl)cs1 349106279 HOXRYGMWGPKRDZ-UPHRSURJSA-N 246.722 3.839 30 20 BHED CC(C)N(CCCC(C)(C)C#N)C1CCCC1 409444859 OXLSGVFHRAXHLL-UHFFFAOYSA-N 236.403 3.969 30 20 BHED C=C(C)CCNC/C=C/c1ccc(F)cc1F 449472840 GHWXTVDERAAZFD-ONEGZZNKSA-N 237.293 3.534 30 20 BHED C=CC(C)(C)C(=O)NCC(C)(C)C1CCCC1 450207536 FQFKTDLYPKCWPU-UHFFFAOYSA-N 237.387 3.531 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc2occ(C)c2c1 450999166 CVEHKJTXGCHLPA-UHFFFAOYSA-N 243.306 3.892 30 20 BHED C=CCC1(NC(=O)[C@H]2CC=CCC2)CCCCC1 456376665 FIJPATPCAMVTSH-AWEZNQCLSA-N 247.382 3.738 30 20 BHED CC#CCCCC(=O)Nc1ccc(CC)c(C)c1 466258816 LECCPNPYLVAHTK-UHFFFAOYSA-N 243.350 3.690 30 20 BHED C=CCC(C)(C)CNC(=O)C1(CCC)CCC1 489862808 YGKDTLZZPNAGNV-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=C(C)CN(C)Cc1ccc2ccccc2c1 510507870 MCUPNNINGMAEQZ-UHFFFAOYSA-N 225.335 3.848 30 20 BHED C=CCCCN(C)[C@H](C)c1ccccc1F 533299408 KQUQXYFDUXOSKJ-GFCCVEGCSA-N 221.319 3.785 30 20 BHED CC#CCNc1cccc(-c2nc(C)cs2)c1 539516207 JKMPUUSICOAKOU-UHFFFAOYSA-N 242.347 3.554 30 20 BHED CN(CCCCC(C)(C)C#N)c1cccc(O)c1 562470971 DRUQGXCTULZFCF-UHFFFAOYSA-N 246.354 3.548 30 20 BHED CC(C)CC[C@H]1CCC[C@H]1NCC(C)(C)C#N 613540305 JROVHWLYTNOQTH-ZIAGYGMSSA-N 236.403 3.731 30 20 BHED C=CC[C@@H](C)[C@H](C)NC1CC2(CCC2)C1 652051498 HMIDTHLMAIREBN-NEPJUHHUSA-N 207.361 3.509 30 20 BHED CCC(C=NNc1cc(F)c(F)c(F)c1)CC 747642489 PQRRSNZXLPQVDI-UHFFFAOYSA-N 244.260 3.938 30 20 BHED CC[C@H](C)CSCc1ccc(OCC#N)cc1 756952177 NGYWHPWBDFLTLJ-LBPRGKRZSA-N 249.379 3.868 30 20 BHED C#CCCCN1C[C@@H](C)C[C@H]1c1ccccc1F 766903601 TUIZBNYUPPWWDG-BBRMVZONSA-N 245.341 3.622 30 20 BHED C=CCCC[C@@H](C)NC(=O)C(F)=C1CCCC1 776014841 COCVAQOIYKBKRB-LLVKDONJSA-N 239.334 3.645 30 20 BHED CC[C@H](C)CON=C(C)c1cc(C)c(C)o1 793144515 DHSUKEQYURCXIM-VIFPVBQESA-N 223.316 3.683 30 20 BHED CC[C@H]1CCC[C@@H](C=NNc2cccc(F)n2)C1 795009536 CPJQQSLUMSWYMM-NWDGAFQWSA-N 249.333 3.835 30 20 BHED C=CC[C@@H](N[C@@H]1CCC12CCC2)c1ccncc1 800478436 HFKKCNQXOOTEIZ-HUUCEWRRSA-N 242.366 3.621 30 20 BHED C[C@@H](C=NNc1cccc([N+](=O)[O-])c1)C(C)(C)C 800805208 LKDAEXWWEPHTKW-JTQLQIEISA-N 249.314 3.675 30 20 BHED Cc1cccc(C)c1OC(=O)CCCCCC#N 807917626 HYTBEOYCMHTGBS-UHFFFAOYSA-N 245.322 3.683 30 20 BHED Cc1ccc(F)c(NN=C2CC(C)(C)C2)c1 814872583 QTCSQBSDXFAEOG-UHFFFAOYSA-N 220.291 3.722 30 20 BHED Cl/C=C/CON=C1CCCc2sccc21 814933912 FCZOVMTYMBGHGM-OFFZUMJXSA-N 241.743 3.558 30 20 BHED C#CCCCCC(=O)Nc1ccc(Cl)c(C)c1 847241912 PKZYIKMSZVKVCH-UHFFFAOYSA-N 249.741 3.781 30 20 BHED N#CCCCN(CC[C@H]1C[C@H]2CC[C@H]1C2)C1CC1 917412484 OPEHESLBMWUMTF-KKUMJFAQSA-N 246.398 3.581 30 20 BHED CC[C@H](C)C(C)=NNc1ccc(C(C)(C)C)nn1 1318580060 JTSFIZHKHXGKIG-JTQLQIEISA-N 248.374 3.608 30 20 BHED C[C@H](CNCC(C)(C)CC#N)C1CCCCC1 1474571492 RWVWPSDQDNJIPC-CYBMUJFWSA-N 236.403 3.732 30 20 BHED C[C@H](NCC1(CC#N)CC1)c1cccc(Cl)c1 88249685 FONIXVUWOLOWAR-NSHDSACASA-N 248.757 3.684 30 20 BHED C=CCCOCCN[C@H](C)c1ccc(C)c(C)c1 90883767 VKWQPQUVPCUXGQ-OAHLLOKOSA-N 247.382 3.547 30 20 BHED CCCC1CCC(CNCCCCC#N)CC1 93067069 YQOOHJMCFIREHO-UHFFFAOYSA-N 236.403 3.876 30 20 BHED CCCCCCCC(=O)c1cccnc1 100071118 HXYIZHKBIDOHKS-UHFFFAOYSA-N 205.301 3.625 30 20 BHED C=CCCCSc1nnc(-c2ccccc2)o1 117547113 CRDFOFAJOPPSFN-UHFFFAOYSA-N 246.335 3.795 30 20 BHED N#CCCOc1cccc(Oc2ccccc2)c1 121602423 FNVPDKFEFFSBFX-UHFFFAOYSA-N 239.274 3.771 30 20 BHED CCN(CCC#N)Cc1cc2ccccc2s1 127605800 NDSCDBDCGCQPGL-UHFFFAOYSA-N 244.363 3.637 30 20 BHED C[C@@H]1CSc2ccccc2N1CCCCC#N 150836078 RDHQERAERIOLRD-GFCCVEGCSA-N 246.379 3.681 30 20 BHED CC(C)[C@H](NCC(C)(C)C#N)c1ccccc1 167317900 DBJNKIMVCWMJAS-AWEZNQCLSA-N 230.355 3.523 30 20 BHED C[C@@H]1CN(CCCC(C)(C)C#N)c2ccccc21 174821193 TUORXXABKRXRQI-CYBMUJFWSA-N 242.366 3.940 30 20 BHED Cc1c(C#N)cccc1NCCCC(C)(C)C#N 179053679 XTEGSIRYXXBMDC-UHFFFAOYSA-N 241.338 3.609 30 20 BHED N#Cc1ccc(O[C@H]2C=CCCC2)cc1Cl 220980719 JCQMOKPEEOBRIT-NSHDSACASA-N 233.698 3.699 30 20 BHED Cc1ccccc1NCc1cccc(C#N)c1F 223725439 WVQLMGUGJFTJNS-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C#Cc1cccc(N(C)Cc2ccccc2C)c1 303136114 CCKJDHVHZOQUFQ-UHFFFAOYSA-N 235.330 3.613 30 20 BHED C=CCCCCN[C@H](C)Cc1ccccc1OC 311008064 LFMNMKDPVZYURA-CQSZACIVSA-N 247.382 3.572 30 20 BHED N#Cc1ccc(N[C@@H]2CC[C@@H](F)C2)cc1Cl 381809248 HARVXKCWRPGEHO-NXEZZACHSA-N 238.693 3.514 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccc(F)cc1 395396171 RAVDHOOHEKYXGJ-NSHDSACASA-N 221.319 3.689 30 20 BHED C=CC[C@H](CC)NC(=O)C[C@@H]1CCC[C@@H](C)C1 410127446 NEQOTKHQDNAJTG-MCIONIFRSA-N 237.387 3.674 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 431247485 NWNDIFXRTPQSTO-JHJVBQTASA-N 237.387 3.530 30 20 BHED C=C1CCN(C(=O)[C@@H](CCC)CC(C)C)CC1 449844009 JVEFUEANGSQLMD-AWEZNQCLSA-N 237.387 3.627 30 20 BHED CC(C)CCCS[C@@H]1CC[C@H](C#N)C1 450910214 VECMYJQKWWEJJB-NWDGAFQWSA-N 211.374 3.848 30 20 BHED CC#CCCCC(=O)N(C)C1CCC(CC)CC1 464565903 CXYRXWAABVDGGR-UHFFFAOYSA-N 249.398 3.607 30 20 BHED C=CCN1CC[C@@H](c2ccccc2)[C@@H](CC)C1 472232070 RSVIGLRSMSXFLF-GOEBONIOSA-N 229.367 3.688 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC(C)(C)C1 488817518 OQWNOXCKIOPTOQ-ZIAGYGMSSA-N 249.398 3.770 30 20 BHED C=CCCCN1CCCC[C@H](SCC)C1 522777045 PKZVBKOARHVLSS-ZDUSSCGKSA-N 227.417 3.560 30 20 BHED C=C(C)COc1ccc(/C=C/C)cc1OC 535513386 KTKIACPEUMMNTH-AATRIKPKSA-N 218.296 3.683 30 20 BHED C=C(CC)CN1CCc2cccc(F)c2[C@H]1C 538002733 QTCDOCHIGYLPPK-GFCCVEGCSA-N 233.330 3.711 30 20 BHED CCOc1ccc(C#N)cc1N[C@H]1CCC[C@@H]1C 543624413 NVPZNJYKHIKWKV-AAEUAGOBSA-N 244.338 3.557 30 20 BHED C=C(CNC(=O)CC(CC)CC)c1ccccc1 672481736 ZGNDNLAMXAIREH-UHFFFAOYSA-N 245.366 3.642 30 20 BHED C1=CC[C@H](C=NNCCCc2ccccc2)CC1 729148294 SYAPMOYFDVTRSM-INIZCTEOSA-N 242.366 3.551 30 20 BHED c1ccc(C(CC2CC2)=NNC2CCCC2)cc1 735971809 XWJRMPFZYRTGTJ-UHFFFAOYSA-N 242.366 3.723 30 20 BHED N#Cc1ccccc1SCCc1cccs1 743454893 RIGHMXUXJAFAOX-UHFFFAOYSA-N 245.372 3.955 30 20 BHED Cc1cc(C=NNc2ccccc2)c(C)s1 760217789 JIKMAWCRTUYOEJ-UHFFFAOYSA-N 230.336 3.811 30 20 BHED C=C(Cl)CN[C@H]1C[C@@H](c2ccccc2)C1(C)C 766329166 JHBDIARJHPLSQV-KBPBESRZSA-N 249.785 3.911 30 20 BHED CCCCCCCC(=O)N1CC[C@@H](C)[C@@H](C)C1 766549743 JVWJMSRQBHMUDH-KGLIPLIRSA-N 239.403 3.851 30 20 BHED Cc1cnc(CSc2ccccc2C#N)s1 771563023 KDFRMTXNGHCTDX-UHFFFAOYSA-N 246.360 3.616 30 20 BHED C[C@H]1CCC[C@@H](C=NOC2CCCC2)C1 774604513 YKVSPCSJKJKUAJ-NWDGAFQWSA-N 209.333 3.758 30 20 BHED Cc1cc(F)ccc1C=NN[C@@H]1CCCC1(C)C 782303468 WTHOOFRTMXMZOY-CQSZACIVSA-N 248.345 3.636 30 20 BHED C#CCCCN1CCc2c(cccc2C(C)C)C1 789547908 BPHRQQSSIZVBIX-UHFFFAOYSA-N 241.378 3.582 30 20 BHED C=CCCCCCCCNC(=O)c1coc(C)c1 810765464 APKPKWHAXLGGFY-UHFFFAOYSA-N 249.354 3.844 30 20 BHED C#CCON=C(CC)C12CC3CC(CC(C3)C1)C2 812236383 NLVCEIHGDYQXSB-UHFFFAOYSA-N 245.366 3.619 30 20 BHED C#CCCCCCC=NOC1CCCCC1 834971349 DBZPRSJIQSMZAG-UHFFFAOYSA-N 221.344 3.905 30 20 BHED CC[C@@H](C)CC=NOCc1ccccc1OC 834976370 YGGJHJNMFQISAZ-GFCCVEGCSA-N 235.327 3.634 30 20 BHED C=CC(C)(C)CC(=O)NC[C@@H](C)c1ccccc1 877897029 OJKQDCQEUYUVOC-CYBMUJFWSA-N 245.366 3.509 30 20 BHED Cc1cc(C=NOC(C)(C)C)cc2cccnc12 1342196576 ZLZRKRRCRAEBIX-UHFFFAOYSA-N 242.322 3.692 30 20 BHED CC[C@H](C)[C@H]1CCCCN1CC1(CC#N)CC1 1652547247 YRWJSBARIOWEAO-UONOGXRCSA-N 234.387 3.581 30 20 BHED N#Cc1ccc(CNc2ccc(Cl)cc2)cc1 19921156 NGCQBUUXFDJSLI-UHFFFAOYSA-N 242.709 3.824 30 20 BHED CCc1ccc(CNc2ccccc2C#N)cc1 19921370 SXZYETXIYWHRKM-UHFFFAOYSA-N 236.318 3.733 30 20 BHED CC[C@@H](C#N)Sc1ccc(C#N)cc1Cl 127809172 GTMGPLYXIUQARP-VIFPVBQESA-N 236.727 3.606 30 20 BHED C=CCNc1cc(-c2nc(C)co2)ccc1C 127949588 XZJBRURZDQAIPE-UHFFFAOYSA-N 228.295 3.556 30 20 BHED Cc1occc1SCc1ccc(F)c(C#N)c1 131435886 YAFWEYWHCIHWMH-UHFFFAOYSA-N 247.294 3.891 30 20 BHED C=CCCCC(=O)Nc1cc(Cl)ccc1C 175198073 DFZREFZRXSGBKN-UHFFFAOYSA-N 237.730 3.943 30 20 BHED CC[C@H](Cc1ccc(C)cc1)NCCCCC#N 178643614 VZSFQBCDDGJOAU-MRXNPFEDSA-N 244.382 3.600 30 20 BHED C=CCN[C@@H](CC)c1ccccc1OC(F)F 179717625 JDRSKMDHSBGXSA-NSHDSACASA-N 241.281 3.515 30 20 BHED Cc1nc(CSCCC(C)(C)C#N)cs1 276645890 TVPPBWVIJZCATF-UHFFFAOYSA-N 240.397 3.625 30 20 BHED C=CC[C@H](C)NC[C@H](C)c1cccc(Cl)c1 309539576 FPFIWOZFXXODMF-RYUDHWBXSA-N 237.774 3.998 30 20 BHED C=CCC(C)(C)c1noc(-c2c(C)coc2C)n1 340791032 LCMPKIZAYYKIOQ-UHFFFAOYSA-N 246.310 3.800 30 20 BHED C=C(CC)CNC(C)(C)COCc1ccccc1 390047173 DACRHOYSSUNXNG-UHFFFAOYSA-N 247.382 3.538 30 20 BHED C=CC[C@H](CC)NCc1cc(C)ccc1C 390505929 XAYDFCLVZPEVHA-HNNXBMFYSA-N 217.356 3.748 30 20 BHED CCCCCCC[C@@H](C)N[C@H](C)[C@H](C)OC 390544061 MFUQHWSHILIEIE-MCIONIFRSA-N 229.408 3.748 30 20 BHED Cc1ccc([C@@H](C)NCC2(CC#N)CC2)c(C)c1 430761348 LRIBRBQSUMNIAJ-CQSZACIVSA-N 242.366 3.648 30 20 BHED C=CCCCCNCc1cc2c(F)cccc2[nH]1 436407017 DMHBUZWJYLZXEY-UHFFFAOYSA-N 246.329 3.753 30 20 BHED C=CC[C@@H](C)[C@@H](C)N[C@@H]1CCCC[C@H]1OCC 449757258 CWYUQYALBNYVGB-KBUPBQIOSA-N 239.403 3.524 30 20 BHED C=CCC1(C(=O)N2CCCC[C@@H](C)C2)CCCC1 450723210 GZSBGEWDOZLIGH-CQSZACIVSA-N 249.398 3.772 30 20 BHED CCC[C@H](CC)S[C@@H]1CC[C@H](C#N)C1 450939280 KTTXACAWKISXFH-SDDRHHMPSA-N 211.374 3.991 30 20 BHED C=CCC[C@H](CC)N[C@H](CC)C1CCOCC1 462109397 QHICGUVMOGZESR-LSDHHAIUSA-N 239.403 3.526 30 20 BHED C=CCN(Cc1cccc(O)c1)c1ccccc1 472606678 BLGINQYLBIGGCS-UHFFFAOYSA-N 239.318 3.585 30 20 BHED C[C@H](c1cccc(C#N)c1)N(C)CC(C)(C)C 490389096 DYFBHWFFYIXPTL-GFCCVEGCSA-N 230.355 3.597 30 20 BHED CC#CCN1CCC[C@@H]1[C@@H](CC)c1ccccc1 524768130 RNBYMIGCHBLKAU-DLBZAZTESA-N 241.378 3.668 30 20 BHED C[C@H]1CC[C@@H](Sc2ccc(C#N)cc2)C1 569006257 LYRDJAHLTDWKQZ-GXFFZTMASA-N 217.337 3.839 30 20 BHED C=CC[C@H](C)NC1CC(C)(c2ccccc2)C1 570830008 COBZNEFRFQZGIV-JEYLPNPQSA-N 229.367 3.661 30 20 BHED CC[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)c(C)c1 580012823 OQPAIZKMBRPHBW-CZUORRHYSA-N 242.366 3.630 30 20 BHED C=CCCC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C 588023183 HBXDOCCTYMBVKR-OLZOCXBDSA-N 237.387 3.674 30 20 BHED Cc1ccc(C)c(S[C@H](C#N)C2CC2)c1 601071903 BYPGZPWLZXELJP-CYBMUJFWSA-N 217.337 3.698 30 20 BHED Cc1ccccc1[C@@H](C)N[C@H]1CCC[C@@H](C#N)C1 601303831 IBOBNKCFVJVMET-KFWWJZLASA-N 242.366 3.728 30 20 BHED C[C@@H](CCC#N)CN[C@H](C)CCC(C)(C)C 602556301 KIDOWQYPZWHPPV-QWHCGFSZSA-N 224.392 3.731 30 20 BHED N#CCCCN1Cc2ccccc2-c2ccccc21 603894452 VJUSUDPDMHAPFA-UHFFFAOYSA-N 248.329 3.977 30 20 BHED C=CCCOc1ccccc1C(F)(F)F 606754707 MSGIFVGSMJXPDR-UHFFFAOYSA-N 216.202 3.660 30 20 BHED C=CC[C@H]1CCCN(c2ccc(Cl)cn2)C1 664253487 NVTMJYGNRSKSAL-NSHDSACASA-N 236.746 3.528 30 20 BHED C=CCCOC(=O)C1(c2ccccc2)CCCC1 729073219 HDOROPILUOWAEA-UHFFFAOYSA-N 244.334 3.618 30 20 BHED CC[C@@H](CC(=O)Oc1ccc(C#N)cc1)C(C)C 729649946 GTPUDCSCSNNYJY-ZDUSSCGKSA-N 245.322 3.536 30 20 BHED c1cncc(CON=C2CCC[C@@H](C3CC3)C2)c1 746586287 VQKODPGEXYUGSU-CQSZACIVSA-N 244.338 3.554 30 20 BHED CCC(CC)NN=C1CCC[C@@H]1C(C)C 747750210 LJJDKWKGWSFMII-GFCCVEGCSA-N 210.365 3.577 30 20 BHED C=CCCCOc1ccc(N2CCCC2)cc1 749791111 NBVWSTQXEXSCIG-UHFFFAOYSA-N 231.339 3.632 30 20 BHED CCCC(C)=NNc1ccc(F)cc1C 750939113 UOLBLXBKGOQIFB-UHFFFAOYSA-N 208.280 3.722 30 20 BHED C#CCCS[C@H](C)c1ccc(F)cc1 751771029 UNHRDQSRRXIHOL-SNVBAGLBSA-N 208.301 3.643 30 20 BHED CCCCCC=NNc1ccc(OC)cc1 755800686 DXRPETAHPDKFOT-UHFFFAOYSA-N 220.316 3.673 30 20 BHED C#CC[C@H](N[C@H](C)CCCC)c1ccccc1 773115192 MXUFBZGVSHJKLP-ZBFHGGJFSA-N 229.367 3.919 30 20 BHED C#CCCCN(CC)C[C@@H](CC)c1ccccc1 775895277 KYPVBOIWXBDNAG-MRXNPFEDSA-N 243.394 3.916 30 20 BHED C=CC[C@@H](C(=O)OCC=C(C)C)c1ccccc1 778703276 YOYYHYRZGZMTBN-OAHLLOKOSA-N 244.334 3.856 30 20 BHED CC(=NOC/C=C\Cl)c1sccc1C 811669091 BPQMDWXELADQAV-DMGLKWJGSA-N 229.732 3.550 30 20 BHED CC(=NNc1ccc(F)cn1)[C@@H]1CCCC[C@@H]1C 834957057 RYVQDCZJPKZUMA-GXFFZTMASA-N 249.333 3.835 30 20 BHED CCCC(C)(C)C(=O)O[C@H](C)CC(C)(C)C#N 851206246 PRIGLJDBXXAPJT-LLVKDONJSA-N 239.359 3.684 30 20 BHED CC1(C#N)CCC(Nc2cncc(Cl)c2)CC1 895879449 KIVUEDUNPWUWII-UHFFFAOYSA-N 249.745 3.619 30 20 BHED CC(=NNc1ccc(C#N)cc1)c1ccc(C)cc1 915962117 NEMIGIYPESAKDE-UHFFFAOYSA-N 249.317 3.703 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(C(C)(C)O)cc1 926522427 WKQAESUATKOCJO-CYBMUJFWSA-N 247.382 3.531 30 20 BHED CC[C@H](C#N)Sc1ncc(C(C)C)n1C1CC1 1307305843 PLVXTAUTQRTQSR-LLVKDONJSA-N 249.383 3.736 30 20 BHED C=CC(C)(C)c1nnc(-c2ccccc2C)o1 1327339052 MLBZCULOMNXUAT-UHFFFAOYSA-N 228.295 3.509 30 20 BHED O=C(O)c1ccccc1NN=C1CCCCCC1 46568825 ACBHHRHHSDDSAH-UHFFFAOYSA-N 246.310 3.507 30 20 BHED CCC[C@@H](CC)N[C@H](C)c1cccc(C#N)c1 50402405 QFIZYMOMYIOTFC-IUODEOHRSA-N 230.355 3.788 30 20 BHED Cc1cc(Cl)ccc1OCCC(C)(C)C#N 57713774 LQWUYMQXOCVWOZ-UHFFFAOYSA-N 237.730 3.967 30 20 BHED N#CCCCN(Cc1ccccc1)CC1CCC1 65161341 IUCXWBFGMMBZAW-UHFFFAOYSA-N 242.366 3.592 30 20 BHED C=CCCCNc1ccc(Cl)cc1F 70591926 CACIKKUIVREMDY-UHFFFAOYSA-N 213.683 3.857 30 20 BHED Cc1ccccc1CSCC1(CC#N)CC1 88259743 QIHKQPYYNVNOSH-UHFFFAOYSA-N 231.364 3.922 30 20 BHED CCCCCCCCN[C@@H]1CCCOCC1 126806213 DUWBBLGMZAVEJQ-CQSZACIVSA-N 227.392 3.506 30 20 BHED CC(C)(CCC#N)CNCCC1=CCCCC1 135121526 QLOFDPHCIDZHJS-UHFFFAOYSA-N 234.387 3.796 30 20 BHED CCN(C[C@H](C)C#N)[C@@H](C)c1ccccc1C 155219162 OSNPGPWEKDYBIC-OCCSQVGLSA-N 230.355 3.538 30 20 BHED C=CCCCC(=O)N1CCC[C@H]1c1cccs1 175169937 ZJJSFNWREHQUCK-LBPRGKRZSA-N 249.379 3.768 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1cccc(CO)c1 305763033 DFWXHYSNWBGFHY-ZIAGYGMSSA-N 247.382 3.574 30 20 BHED C#CCCCCN[C@@H]1C[C@H](C)CC[C@@H]1CC 309689422 IROFVWPTCQQCRL-QLFBSQMISA-N 221.388 3.594 30 20 BHED Cc1cc(Cl)ccc1N[C@@H]1CC[C@@H](C#N)C1 309847705 HKIQCBNBOAYYHL-ZYHUDNBSSA-N 234.730 3.753 30 20 BHED CCCCCCCN[C@@H](CC)[C@H]1CCCO1 310022051 NVOATQZQKDTUEC-UONOGXRCSA-N 227.392 3.504 30 20 BHED C[C@@H](CCC1CC1)Nc1cccc(C#N)c1 390202170 QXDWXVHBPPQEKB-NSHDSACASA-N 214.312 3.549 30 20 BHED CC(C)c1cccc(OCC2(C#N)CCC2)c1 418832913 WFWCVIQWXACJQW-UHFFFAOYSA-N 229.323 3.883 30 20 BHED N#C[C@@H]1CC[C@@H](NCCC2=CCCCCC2)C1 442842052 PLLBAHNYRYQXQW-HUUCEWRRSA-N 232.371 3.549 30 20 BHED C=CC[C@H](CC)NC(=O)CCCCC(C)C 457792426 SCAVFSCQZWBTNN-ZDUSSCGKSA-N 225.376 3.674 30 20 BHED C=CC[C@H](CC)N[C@H](C)[C@@H](OC)c1ccccc1 467403059 GTAFBWZFHYLKDL-VNQPRFMTSA-N 247.382 3.707 30 20 BHED CC1(C)CC(N[C@H]2CC[C@@H](C#N)C2)CC(C)(C)C1 471599744 VSSYTLXYHSNVOT-OLZOCXBDSA-N 248.414 3.873 30 20 BHED C=CCCCC(=O)NC1CCC(C(C)C)CC1 478296775 HUHSOUJJFKPDFH-UHFFFAOYSA-N 237.387 3.674 30 20 BHED C=CCCCN(Cc1cccs1)C(C)C 522778958 GQXOTONMSGFOMD-UHFFFAOYSA-N 223.385 3.925 30 20 BHED C[C@H](N[C@H]1CC[C@H]1C)c1ccc(C#N)cc1Cl 560573391 YEARMRBVTWNZNF-BFVZDQMLSA-N 248.757 3.661 30 20 BHED CC1(C)CC[C@H]1NCCC1(C#N)CCCCC1 582495307 DOJCGPASUPYIJK-CYBMUJFWSA-N 234.387 3.629 30 20 BHED CCc1cc(N[C@@H]2CCC[C@@H](C#N)C2)ccc1F 586794886 TZYFFQAPOAXAOX-DGCLKSJQSA-N 246.329 3.882 30 20 BHED C[C@H](CCC#N)CNc1cc(F)cc(Cl)c1 602491229 ZNRGGYPXZQHXCW-SECBINFHSA-N 240.709 3.831 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 610829800 LZVFTDHZRGJQDB-MJBXVCDLSA-N 242.366 3.810 30 20 BHED C=CCCC(=O)OCc1ccc(C(C)(C)C)cc1 726498769 SXJCAUFXXSVGCX-UHFFFAOYSA-N 246.350 3.994 30 20 BHED C=C(Cl)COC(=O)c1sccc1C1CC1 742911053 KGKIERCTDJPJBK-UHFFFAOYSA-N 242.727 3.535 30 20 BHED C[C@@H](CC=NO[C@H]1CCCCO1)c1ccccc1 755820598 XBFICUSMIRJBBY-ZFWWWQNUSA-N 247.338 3.709 30 20 BHED C#CC[C@@H](Nc1ccc(C#N)cc1)c1ccccc1 756957640 XRFYILNKIJZORM-QGZVFWFLSA-N 246.313 3.735 30 20 BHED CC[C@@H]1CCCC1=NNc1ccc(Cl)nc1 758379585 XXGVSBILXYRKMK-SECBINFHSA-N 237.734 3.713 30 20 BHED C(=NNc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 762408300 CNWIOZKPRASSTE-AVGNSLFASA-N 214.312 3.521 30 20 BHED Clc1ccccc1C=NOC1CCCC1 774603173 NYTMTPDFXXEYGV-UHFFFAOYSA-N 223.703 3.633 30 20 BHED CC(C)Oc1ccc(N[C@H]2CC[C@H]2C)cc1C#N 783661486 VHGNUYMVGNLSHA-RISCZKNCSA-N 244.338 3.556 30 20 BHED CC1(C)CCC(=NNc2ccc3[nH]ncc3c2)C1 783866824 KPXNSMRPBHLTJC-UHFFFAOYSA-N 242.326 3.541 30 20 BHED CC[C@@H](C)NN=C1CCC(C)(CC)CC1 790190982 XBQNSKITLUTKTA-JTDNENJMSA-N 210.365 3.721 30 20 BHED CC(C)[C@@H]1CCCC(=NNc2ncccc2F)C1 794990044 JNNATIDASNHCBS-LLVKDONJSA-N 249.333 3.835 30 20 BHED C=CC[C@@H](CC)N[C@H]1CCc2cc(C)ccc21 798937780 VLIZSFZWCSDASC-ZBFHGGJFSA-N 229.367 3.927 30 20 BHED C=CCCCCCCNC(=O)C1=CCCCC1 805219871 ZCAJALKJBKUACR-UHFFFAOYSA-N 235.371 3.740 30 20 BHED CC[C@H]1CCC1=NNc1c(F)cccc1F 807972695 UEMVZBUNFNMMNE-QMMMGPOBSA-N 224.254 3.553 30 20 BHED Cc1cccc([C@@H](C)NCC(C)(C)C#N)c1C 809578372 LWAHKABOUCZQGM-CYBMUJFWSA-N 230.355 3.504 30 20 BHED C#Cc1ccc(CNC[C@@H](C)c2ccccc2)cc1 809601572 GHONAIZRSIAGLV-OAHLLOKOSA-N 249.357 3.561 30 20 BHED CC1=CCC[C@@H](C)[C@@H]1C=NOCCC1CC1 814247053 OUTRFXSEQXLGHQ-TZMCWYRMSA-N 221.344 3.781 30 20 BHED C=C(CC)CNC(=S)Nc1ccc(CC)cc1 840826537 NVMIBKBXEZMSNE-UHFFFAOYSA-N 248.395 3.502 30 20 BHED O=[N+]([O-])c1ccccc1NN=CC1CCCCC1 916250162 OIPTXEQTBGMECH-UHFFFAOYSA-N 247.298 3.573 30 20 BHED C[C@@H]1CCC[C@@H](Nc2cccc(C#N)c2)C1 19921978 MUNQSDZIRZNMJU-DGCLKSJQSA-N 214.312 3.549 30 20 BHED CCCC1CCC(N[C@H](CC)CC#N)CC1 49545274 NNTNWGSOHRMNEF-ROKHWSDSSA-N 222.376 3.627 30 20 BHED CC(C)CC[C@H](C)NCc1cc(C#N)cs1 86500105 UWVDPHYSNMCPER-NSHDSACASA-N 236.384 3.534 30 20 BHED COc1ccc(NCC(C)(C)CCC#N)c(C)c1 92144788 VDEVTOUFCICOBD-UHFFFAOYSA-N 246.354 3.746 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1 119348090 SPHMDPXNWIRKNR-UWVGGRQHSA-N 243.272 3.931 30 20 BHED CC1(C)CCC/C(=C/c2ccc(O)c(F)c2)C1=O 121336110 CWYJZLMPUFDCFY-FLIBITNWSA-N 248.297 3.694 30 20 BHED C=CC[C@H](C)N[C@@H]1CCC(C)(C)C[C@H]1C 161643342 UBGOEOICTKZLLC-FRRDWIJNSA-N 209.377 3.755 30 20 BHED C=C(Cl)CN[C@H](C)CCc1cccc(C)c1 161743865 KFMWWVVOEMNACP-CYBMUJFWSA-N 237.774 3.658 30 20 BHED C=C(C)CCNc1cc(Cl)ccc1OC 168946638 XMCFFRCNMVIKPM-UHFFFAOYSA-N 225.719 3.727 30 20 BHED N#C[C@@H](Sc1ccccc1O)C1CCCCC1 177271119 HKOQTFHWHJCFII-CQSZACIVSA-N 247.363 3.957 30 20 BHED Cc1cc(C)cc(/C=C/C(=O)c2ccncc2)c1 182247481 VEWXWEFMYXCESA-ONEGZZNKSA-N 237.302 3.595 30 20 BHED C=CCC1(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)CCC1 189712006 OYGIDEXUXMKGDC-ZIAGYGMSSA-N 249.398 3.627 30 20 BHED Cc1ccoc1CNc1ccc(C#N)c(Cl)c1 229473040 SEQQWDSFDKKSJB-UHFFFAOYSA-N 246.697 3.725 30 20 BHED N#Cc1ccc(/C=C\c2cccc(Cl)c2)nc1 255265660 GVOKHQDUAHMODQ-XQRVVYSFSA-N 240.693 3.777 30 20 BHED C=C(C)CSCc1ncc(C(C)(C)C)o1 266992099 BVZDDKZGHHJEJW-UHFFFAOYSA-N 225.357 3.781 30 20 BHED C=CCCN[C@H](C)c1ccccc1SC 281910426 CDHXWXZJSQUTNF-LLVKDONJSA-N 221.369 3.635 30 20 BHED C=CC[C@H](CC)NC1C[C@H](C)C[C@@H](C)C1 309068163 ALFHZLVPIIIMEW-UPJWGTAASA-N 209.377 3.755 30 20 BHED CC(C)(C#N)CCNC(C)(C)c1cccs1 309532446 CCUPUZYSWJZMGJ-UHFFFAOYSA-N 236.384 3.513 30 20 BHED Cc1ncc(N=C(O)CC2CCCCCC2)cn1 330236367 UITUXVSUXHVXDQ-UHFFFAOYSA-N 247.342 3.734 30 20 BHED N#CCc1ccc(CNc2cccc(F)c2)cc1 342443478 UVGKIBCKQZSCJA-UHFFFAOYSA-N 240.281 3.504 30 20 BHED CC[C@@H](NCC1(C#N)CC1)c1cccc(Cl)c1 343582271 KNTPQNZQMRSHBH-CYBMUJFWSA-N 248.757 3.684 30 20 BHED CCC1(NCCCC(C)(C)C#N)CCCC1 382541144 AXFWFBGBELAMAD-UHFFFAOYSA-N 222.376 3.629 30 20 BHED CC[C@H]1CCC[C@@H]1NCCCCC(C)(C)C#N 388903508 NTLQVSAXCWAWAD-KBPBESRZSA-N 236.403 3.875 30 20 BHED C=CCC[C@@H](C)NC[C@@H]1CCCCC1(F)F 390563417 MYVRFHJRQCIBFF-NEPJUHHUSA-N 231.330 3.756 30 20 BHED C=CCCC[C@H](C)NC(=O)c1ccc(F)c(C)c1 398065492 DGGKYQCVSVCYKW-LBPRGKRZSA-N 249.329 3.609 30 20 BHED C=C(CC)CN[C@H](C)[C@@H]1C[C@H]1c1cccs1 417354442 ZJUAFJVUEMLYOV-FRRDWIJNSA-N 235.396 3.796 30 20 BHED C/C=C\CS[C@H](C)c1cccc(C#N)c1 443143875 DTTIRTXJBVPNIF-DLRQAJBASA-N 217.337 3.929 30 20 BHED C=C(CC)CNc1ccc([C@H]2CCOC2)cc1 453120562 NYSVIVNAPDZUEF-AWEZNQCLSA-N 231.339 3.569 30 20 BHED C=CCCCN1C[C@H](C)[C@@H]1c1ccccc1 483073197 TXODNJXPBHIZNU-DZGCQCFKSA-N 215.340 3.646 30 20 BHED C[C@H](C#N)CN(C)C[C@H](C)CC1CCCCC1 541774966 NQDHWXVJGAEJKG-ZIAGYGMSSA-N 236.403 3.684 30 20 BHED C=CCCN1[C@@H](C)Cc2cc(OC)ccc2[C@H]1C 543848085 YMLSOJNRTHOOEI-QWHCGFSZSA-N 245.366 3.579 30 20 BHED C=CCC[C@H](C)N[C@H]1c2ccc(F)cc2O[C@H]1C 562056155 CICLRKRKQRHVES-ZIBATOQPSA-N 249.329 3.592 30 20 BHED CCN(C[C@@H](C)CCC#N)C1CCCCC1 602428548 PNMHYAVOLYUSDD-ZDUSSCGKSA-N 222.376 3.581 30 20 BHED C=C(CNC(=O)C[C@H](C)CCC)c1ccccc1 672478014 HQGGMOZQWQBWFD-CYBMUJFWSA-N 245.366 3.642 30 20 BHED C=C(CC)CN1C[C@@H](C(F)(F)F)CC[C@@H]1C 679547262 MRKBEUFZRYKCRA-QWRGUYRKSA-N 235.293 3.615 30 20 BHED CCCCC(C)=NNCCCOc1ccccc1 729148741 DKORLVZALQLRQJ-UHFFFAOYSA-N 248.370 3.611 30 20 BHED Cc1cccc(C)c1OCCCON=C1CCC1 735489713 CVHKFCCQEAXHPR-UHFFFAOYSA-N 247.338 3.629 30 20 BHED CC(C)c1ccc(CC=NNC2CCCC2)cc1 760250982 RUPBUFKCXQQWAR-UHFFFAOYSA-N 244.382 3.871 30 20 BHED C#CCCCN(CC)Cc1cccc(Cl)c1 766895520 ORUJTHZDWWLMFC-UHFFFAOYSA-N 235.758 3.575 30 20 BHED CC1=CC(=NNc2c(F)cccc2Cl)CC1 769827109 NWCFKHCOFMARFQ-UHFFFAOYSA-N 238.693 3.987 30 20 BHED CCC#C[C@H](C)N[C@H](CC)c1ccccc1OC 775082334 XAISXKRTEHNAJR-DZGCQCFKSA-N 245.366 3.538 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C=C\c1ccsc1 775924239 IGLKSHMTIPQFMF-QDZRJHCZSA-N 249.379 3.622 30 20 BHED C[C@@H](CCC#N)SCCSC(C)(C)C 783550648 BANYHOPZSUQDJH-JTQLQIEISA-N 231.430 3.944 30 20 BHED CC(C)C[C@H](C)C=NNc1nccnc1C(C)C 799113217 AFKMMTAKHSBQKY-LBPRGKRZSA-N 248.374 3.680 30 20 BHED Fc1cc(F)cc(NN=C2CCC[C@@H]3C[C@H]23)c1 841621125 SSUYJZNLWHNRIO-PELKAZGASA-N 236.265 3.553 30 20 BHED CC1(CNN=C2CCC(F)(F)CC2)CCCC1 842533175 JJMZKFLIUZYQGH-UHFFFAOYSA-N 244.329 3.722 30 20 BHED C=CC[C@@H]1CCCN(c2cccc(Cl)n2)C1 853801784 JJMFYHVTYQAQBQ-LLVKDONJSA-N 236.746 3.528 30 20 BHED CC(C)(C#N)CCCOC(=O)C1CCC=CCC1 873429931 DONISWPWJSPIRP-UHFFFAOYSA-N 249.354 3.606 30 20 BHED CC[C@H](NCC1CC=CC1)c1cccc(C#N)c1 903063794 IKQRPUBJYMTJSN-INIZCTEOSA-N 240.350 3.565 30 20 BHED C=C(Cl)CN(CC)[C@@H](C)c1ccc(F)cc1 919770893 UGSFLYRCIRHKCJ-NSHDSACASA-N 241.737 3.961 30 20 BHED CCC[C@H](NCc1cccc(C#N)c1)C(C)(C)C 1307776213 JDFHJZMMPKQXRW-HNNXBMFYSA-N 244.382 3.863 30 20 BHED C=C(C)CN(CC)[C@@H]1CCc2c(F)cccc21 1320358550 BXZOSGHXEZKRAB-OAHLLOKOSA-N 233.330 3.711 30 20 BHED C=C(C)CCC(=O)N1CCC2(CCCCC2)CC1 1335894745 YSAGAZDQSJWJCW-UHFFFAOYSA-N 249.398 3.916 30 20 BHED C[C@H](CN(C)[C@@H](C)CCC#N)C1CCCCC1 1654474735 KIJIFJDOCLHNLC-KGLIPLIRSA-N 236.403 3.827 30 20 BHED Cc1cccc(/C=C\C(=O)c2cccs2)c1 96766389 LJFHGFFCZUZIHT-FPLPWBNLSA-N 228.316 3.953 30 20 BHED CCCCCCCN[C@H](C)c1c(C)noc1C 118474318 HARJNPLDNQXSHN-LLVKDONJSA-N 238.375 3.912 30 20 BHED C=CCCCCCN(C)C(=O)c1cc(C)c(C)o1 127240278 SNSJVUYICFLLNM-UHFFFAOYSA-N 249.354 3.715 30 20 BHED C=CCCCC[C@H](C)NCc1ccoc1 131929451 QRPUJYRCRQKUNY-LBPRGKRZSA-N 207.317 3.504 30 20 BHED C=C(Cl)CN[C@H]1c2cc(C)ccc2C[C@H]1C 134586779 TXPOGQXYCHMRIP-QMTHXVAHSA-N 235.758 3.570 30 20 BHED C=C(Cl)CN[C@@H](C)c1ccc2c(c1)CCC2 161732658 MCAFTAQXCUSNMN-NSHDSACASA-N 235.758 3.578 30 20 BHED C=CCCCCOc1ccc(C(C)=O)cc1 167922306 JTBBYEXVELBVJS-UHFFFAOYSA-N 218.296 3.624 30 20 BHED C#CCCCN[C@@H](CCC)c1ccsc1 187738292 DYVYCLKTOMMFIJ-ZDUSSCGKSA-N 221.369 3.592 30 20 BHED CC/C=C(/C)C(=O)O[C@H](C)c1ccc(C#N)cc1 255142677 NYLPXCPDJYMEKM-DKRCXCIFSA-N 243.306 3.519 30 20 BHED CC(C)=CCCN[C@@H](C)c1cccc(C#N)c1 276647651 UGSUORVRKINVNG-ZDUSSCGKSA-N 228.339 3.565 30 20 BHED CC(C)C[C@H](C)COc1ccc(C#N)cc1F 302318270 JGVKVLMDGJBIPS-NSHDSACASA-N 235.302 3.758 30 20 BHED Cc1c(Cl)cccc1N[C@H]1CC[C@H](C#N)C1 309611752 AINDVCMRRYQEDO-QWRGUYRKSA-N 234.730 3.753 30 20 BHED C=C(CC)CN[C@@H](c1ccccc1)C(C)C 309808928 SWTBMSRUPTVTLC-OAHLLOKOSA-N 217.356 3.940 30 20 BHED CSc1ccc(C)c(N[C@@H]2CC[C@@H](C#N)C2)c1 335702886 MHSDRMPNAINFSF-VXGBXAGGSA-N 246.379 3.821 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1ccc(F)cn1 344292741 GJQBEDAHZANZBF-NWDGAFQWSA-N 236.334 3.616 30 20 BHED C=CCCC(=O)Nc1c(C)cc(OC)c(C)c1C 345872218 USATXZBAOAYMDX-UHFFFAOYSA-N 247.338 3.525 30 20 BHED C=C(C)CN(C)Cc1cccc(C(F)F)c1 348049027 IAXRDCIBMXYQIX-UHFFFAOYSA-N 225.282 3.632 30 20 BHED C=CCOCCS[C@H](CC)CCC 378867899 GIBVVRYMFSSJTJ-LLVKDONJSA-N 202.363 3.501 30 20 BHED C=C(Cl)CNCCc1ccc(C(C)C)cc1 390622783 JAVUZSUWIMEBOW-UHFFFAOYSA-N 237.774 3.695 30 20 BHED C=CCC[C@H](CCC)N[C@@H]1CS[C@@H](C)C1 414237208 WHMJLROMURZDQI-AVGNSLFASA-N 227.417 3.605 30 20 BHED C=CCCCC[C@H](C)NC[C@@H]1C[C@H](C)O[C@@H]1C 414264111 QDOJQCBJIMGRTQ-XQLPTFJDSA-N 239.403 3.524 30 20 BHED C=CCC[C@@H](CC)NC[C@@H](C)CC(F)(F)F 414292608 YPGBACIWSVAFQU-WDEREUQCSA-N 237.309 3.909 30 20 BHED C=CCOCCSCc1cc(C)sc1C 419406302 WMGYDQCRZBPIAW-UHFFFAOYSA-N 242.409 3.801 30 20 BHED C=CCCCSCCC1(OC)CCC1 419407252 JXVZIQGBIRXQJB-UHFFFAOYSA-N 214.374 3.645 30 20 BHED CC[C@@]1(C(C)C)C[C@@H]1NCc1cc(C#N)cs1 453602868 AGHAJNXKHQKVQS-KBPBESRZSA-N 248.395 3.534 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H](CCOC)C(C)(C)C 511055225 WQUFPLXIBCIMBF-MELADBBJSA-N 241.419 3.628 30 20 BHED C=CCCCN[C@H](c1ccc(OC)cc1)C(C)C 539244162 ULZGZIFKBMSMFT-INIZCTEOSA-N 247.382 3.948 30 20 BHED C[C@@H](C#N)CN(C)C[C@H](C)CC1CCCCC1 541774962 NQDHWXVJGAEJKG-KGLIPLIRSA-N 236.403 3.684 30 20 BHED Cc1noc(C)c1-c1ccc([C@@H](C)C#N)cc1 592986403 HIBFEWIVOICMAD-VIFPVBQESA-N 226.279 3.586 30 20 BHED Cc1ccc(S[C@H](C#N)C2CC2)cc1C 601072319 IWPFHZMOQULXCN-CYBMUJFWSA-N 217.337 3.698 30 20 BHED C=CCN1Cc2ccccc2-c2ccccc21 613785605 NMXZPUUUKXSZJN-UHFFFAOYSA-N 221.303 3.860 30 20 BHED C=CCCCCCS[C@@H](C)c1nc(C)no1 618658370 SOKBJDUKPJMYCK-JTQLQIEISA-N 240.372 3.919 30 20 BHED C=C(CC)CSc1ccc(COC)cc1 678611856 WUPQGCBWLGPRIS-UHFFFAOYSA-N 222.353 3.891 30 20 BHED C=C(CC)CN1C[C@H](C(F)(F)F)CC[C@H]1C 679547260 MRKBEUFZRYKCRA-GHMZBOCLSA-N 235.293 3.615 30 20 BHED c1ccc(CCCNN=C2CCCCCC2)cc1 729147828 IPADAFPZVSQCCS-UHFFFAOYSA-N 244.382 3.919 30 20 BHED CC(C)C(=NNc1ccc(Cl)nc1)C1CC1 743449650 BSVMUGGKYSPESR-UHFFFAOYSA-N 237.734 3.569 30 20 BHED C=CCOC(=O)/C=C(/CC)c1ccc(C)cc1 744042590 UOXDYHSYLHDUDD-QBFSEMIESA-N 230.307 3.518 30 20 BHED C=CCCCCCN(C)C(=O)C(C)=C(C)C 751389278 ZSRAWFYKFICGQS-UHFFFAOYSA-N 223.360 3.548 30 20 BHED CC(C)C=NOCc1ccc(C(F)(F)F)cc1 755805651 VZBLHBCEXUOZHY-UHFFFAOYSA-N 245.244 3.864 30 20 BHED CC(C)(C#N)c1nc(C2CCCCCCC2)no1 762358310 PRKAHBHISFUCBR-UHFFFAOYSA-N 247.342 3.699 30 20 BHED C#CCCCCC(=O)NCC[C@@H]1CCCC[C@@H]1C 773305031 ZVYYLVHLKZUVRQ-GJZGRUSLSA-N 249.398 3.513 30 20 BHED CCC(CC)CNN=C(C)C1CCSCC1 777447463 ZVOYKGJLEKVYEL-UHFFFAOYSA-N 242.432 3.531 30 20 BHED CC(C)(C)CCNN=Cc1coc2ccccc12 782907142 JFTQROLCVVXLGG-UHFFFAOYSA-N 244.338 3.793 30 20 BHED COC1(C=NOCc2ccccc2)CCCCC1 790153441 GIQCHJLSJJAGMJ-UHFFFAOYSA-N 247.338 3.538 30 20 BHED C1CCC(CNN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)C1 808006989 KGHBVTXYGWFKRR-KBXIAJHMSA-N 246.398 3.578 30 20 BHED FCCC[C@H]1CCCC1=NOC/C=C/Cl 811671074 MZRATQFUFOVDGR-TVGKZRMDSA-N 233.714 3.661 30 20 BHED CCC(C[C@H](C)CC)=NOCCOC(C)C 812239653 ZCYDWSKDGYTYKB-GFCCVEGCSA-N 229.364 3.630 30 20 BHED C=CCCCCCCNC(=O)[C@@H]1C[C@H]1CCC 812549056 WOEXTTFPTHSZFH-ZIAGYGMSSA-N 237.387 3.675 30 20 BHED CSCCCC=NNc1ccc(Cl)cc1 814683985 YYJVCFVRPBTBHU-UHFFFAOYSA-N 242.775 3.881 30 20 BHED Fc1ccc(NN=CCC2CCCCC2)nc1 814842640 MYDICAJRGANVIX-UHFFFAOYSA-N 235.306 3.589 30 20 BHED CCC(C[C@H](C)CC)=NN[C@@H](C)C(F)(F)F 834995991 MZTNDBPFELKNQX-BDAKNGLRSA-N 238.297 3.729 30 20 BHED CC(C)ON=C1CCC[C@@H]1c1ccccc1 835001161 VFSFCZDIVLMOJL-CYBMUJFWSA-N 217.312 3.735 30 20 BHED C=CCCCCCCCN[C@H](C)c1ncco1 926441607 CUSFKLUUZBSXDP-CYBMUJFWSA-N 236.359 3.852 30 20 BHED CCCC1CCC(CNCC2(C#N)CCC2)CC1 1204021387 XUGWCHQGWCTIDQ-UHFFFAOYSA-N 248.414 3.876 30 20 BHED C=C(Cl)CNC(C)(C)c1ccc(F)cc1F 1308079988 FMBDWVWONHBMLK-UHFFFAOYSA-N 245.700 3.542 30 20 BHED CCCCCCCCC(=O)NC/C=C\C1CC1 1327904768 WPUCYDBXXIZRQQ-HJWRWDBZSA-N 237.387 3.819 30 20 BHED CO[C@@H]1CCC[C@H](Sc2ccc(C#N)cc2)C1 1458920103 VWUDGIMMZRPZIR-OCCSQVGLSA-N 247.363 3.608 30 20 BHED C=CCCC(=O)N(c1ccccc1)C1CCCC1 108744679 QZRJGHIBYJTASR-UHFFFAOYSA-N 243.350 3.928 30 20 BHED C=CC[C@@H](C)[C@H](C)N[C@@H](C)c1cccc(O)c1 126599158 KMQBAUXWVTXJRR-AGIUHOORSA-N 233.355 3.644 30 20 BHED COc1ccc(OCCCC(C)(C)C#N)cc1C 135506442 GCDPDUPJFIOPRH-UHFFFAOYSA-N 247.338 3.712 30 20 BHED C=C(C)CSCc1ccc(C#N)cc1F 177872120 MJDWRSFMONLVJS-UHFFFAOYSA-N 221.300 3.507 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C)cc1 189755208 WZGKNKADWOLZOF-AWEZNQCLSA-N 217.312 3.536 30 20 BHED CCCCCCC#C[C@H]1CCCC[C@@H]1O 196640955 LALJQLVWBUVBTP-KBPBESRZSA-N 208.345 3.511 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1cccc(C#N)c1 281386912 ZFWBBXWUDUZMEO-DOMZBBRYSA-N 228.339 3.564 30 20 BHED C[C@@H]1C[C@H]1[C@@H](NCCC#N)c1ccc(Cl)cc1 298817075 FVKHTIADGMGTGK-HONMWMINSA-N 248.757 3.540 30 20 BHED C=C(Br)CSC/C(C)=C/Cl 306971331 UTDBQSBQIJLQAB-ZZXKWVIFSA-N 241.581 3.771 30 20 BHED C=C(Cl)CN[C@H]1CCCCC12CCCC2 308876122 BNHXQGBMTBGVOC-LBPRGKRZSA-N 227.779 3.832 30 20 BHED C=CCC(C)(C)CNCc1ccsc1C 336665635 YUCXJZOCSOQREJ-UHFFFAOYSA-N 223.385 3.748 30 20 BHED CCCCN(CCCC#N)[C@@H]1CCC[C@H](C)C1 339649861 VFNFAZMSEPLTGM-LSDHHAIUSA-N 236.403 3.971 30 20 BHED CC[C@H]1CC[C@H](C)N1Cc1ccc(CC#N)cc1 343707315 HSAOHUMNRNAACI-BBRMVZONSA-N 242.366 3.516 30 20 BHED C=CCCC1(C(=O)N2CC3(CCC3)C[C@H]2C)CC1 357123241 KJHBUQFFNWOYHZ-CYBMUJFWSA-N 247.382 3.524 30 20 BHED CC(C)(C#N)CCCCN1CC[C@H]2CCC[C@@H]21 378743213 HZKMQZJJQJOJOY-KGLIPLIRSA-N 234.387 3.581 30 20 BHED C=C(C)CCN[C@H](C)c1nc2ccccc2s1 386755695 HKXXGJBSJJUCBV-LLVKDONJSA-N 246.379 3.913 30 20 BHED CC[C@@H](c1ccccc1)N(C)CC(C)(C)C#N 433285442 HWGHZYCKCPVQRB-AWEZNQCLSA-N 230.355 3.619 30 20 BHED C=CCN1CC[C@](C)(CCc2ccccc2)C1 434909811 QMPQXSLRWXHHAU-INIZCTEOSA-N 229.367 3.517 30 20 BHED CC(C)(CCC#N)CN1CCCC2(CCCC2)C1 438375544 NFLHETLUYIVWST-UHFFFAOYSA-N 248.414 3.973 30 20 BHED C=CC[C@@H]1N(Cc2ccco2)CCCC1(C)C 446854851 COBRPDPVLHMDND-AWEZNQCLSA-N 233.355 3.846 30 20 BHED C=CCC1(C(=O)N(C)CC2CCC2)CCCCC1 448953018 GULCQNYWZMZLRJ-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CCC1(C(=O)N[C@H]2CC=CCC2)CCCCC1 449901230 XCJKGBYEWIPTPI-AWEZNQCLSA-N 247.382 3.738 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cc(C)cc(C)c1 467365493 JTGYSRKZBYLSIC-OAHLLOKOSA-N 231.339 3.844 30 20 BHED C=CCC[C@@H](CC)NCc1ccccc1N(C)C 540173389 OKXFMKXMBSELNN-OAHLLOKOSA-N 246.398 3.587 30 20 BHED C=CCC[C@H](C)N[C@H]1CCO[C@H](C(C)(C)C)C1 543617324 SJBBZFQIOKZLRQ-IHRRRGAJSA-N 239.403 3.524 30 20 BHED C=CCC(CC=C)c1nc(CCC(C)C)no1 546415740 JTRAVUFMDODIPB-UHFFFAOYSA-N 234.343 3.894 30 20 BHED CC(C)(C#N)CCSc1ccc2c(c1)CCO2 591133705 ZNEZVKNSHGRNFA-UHFFFAOYSA-N 247.363 3.653 30 20 BHED CC(C)(C)C[C@@H]1C[C@H]1NCc1ccc(C#N)s1 593660666 NKNMYXCBXKBKRC-GXFFZTMASA-N 248.395 3.534 30 20 BHED CC[C@H](C)[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 618801359 AKPIUBVYGHKXJF-MKBNYLNASA-N 242.366 3.570 30 20 BHED C=CCC[C@H](CC)NC1(C2CCC2)CC1 652272251 FVMRHNVCUDBZGK-ZDUSSCGKSA-N 207.361 3.654 30 20 BHED CC(CCC1CCCCC1)=NNc1ncccn1 731926176 PFCKAJVTRHCBSZ-UHFFFAOYSA-N 246.358 3.625 30 20 BHED C=C(Cl)CN(C1CC1)[C@@H]1CCc2ccccc21 747670403 VZOKFENUSMASNH-OAHLLOKOSA-N 247.769 3.891 30 20 BHED CCCCCC[C@@H]1CCC[C@H]1NC[C@@H](C)C#N 757906236 LOWURFBQXZKTSO-RRFJBIMHSA-N 236.403 3.875 30 20 BHED CCCC(CCc1ccccc1)=NNC1CC1 758126269 DKIDXKNMWTYRPF-UHFFFAOYSA-N 230.355 3.527 30 20 BHED C=CCC(CC=C)C(=O)Oc1ccc(F)c(C)c1 768226914 JYANHOSCXBJFKD-UHFFFAOYSA-N 248.297 3.808 30 20 BHED CC(CCc1ccco1)=NN[C@H](C)C(C)(C)C 793115218 QAPYUPYLCUSCEL-GFCCVEGCSA-N 236.359 3.612 30 20 BHED C=C(C)CCc1noc([C@H](C)c2ccc(C)o2)n1 795764674 ROUXRUDDLBGNJU-LLVKDONJSA-N 246.310 3.632 30 20 BHED C(=NNc1ccccc1)c1ccc2[nH]ccc2c1 811629142 SPRHSHHGBZBQGL-UHFFFAOYSA-N 235.290 3.614 30 20 BHED CCC[C@@H](C)C(CC)=NNC[C@H]1CCSC1 811657017 BPUWKSWAQYLOPX-VXGBXAGGSA-N 242.432 3.531 30 20 BHED Fc1c(Cl)cccc1C=NOC/C=C/Cl 811670377 QYQWEELIPSKIGD-UAXPWUOOSA-N 248.084 3.582 30 20 BHED C[C@H](C=NNC1CCCC1)C1CCCCC1 814832492 GPSFHNIQWAYNDF-GFCCVEGCSA-N 222.376 3.721 30 20 BHED C=CCON=C1C[C@H](C)Sc2sccc21 835015541 KGLMHERTVMYRAD-QMMMGPOBSA-N 239.365 3.539 30 20 BHED CCC(C#N)(CC)C(=O)Oc1ccc(C)cc1C 875039555 ZLEZIJLRDWYPME-UHFFFAOYSA-N 245.322 3.539 30 20 BHED N#CC1(c2ccc(-c3ccncc3)cc2)CCC1 906155517 IXQQMDPJKVFLED-UHFFFAOYSA-N 234.302 3.694 30 20 BHED Cc1ccnc(SCCCC(C)(C)C#N)c1 918802078 VBYXVTJSDOINFD-UHFFFAOYSA-N 234.368 3.812 30 20 BHED N#Cc1c(F)cccc1SC/C=C\Cl 1166246143 BEXAAJVZMIQFDQ-DJWKRKHSSA-N 227.691 3.542 30 20 BHED C[C@H](CCC#N)S[C@H]1CCOc2ccccc21 1188942299 RKEZXMAKUNUSOV-RISCZKNCSA-N 247.363 3.936 30 20 BHED N#C[C@H]1CCCN(CCCC2CCCCC2)C1 1207608714 DQBMIKMHBPRZTQ-OAHLLOKOSA-N 234.387 3.582 30 20 BHED C=CCC[C@H]1CCCN1C(=O)[C@@H]1CC12CCCC2 1338296168 YGCNTLYCGFBELL-KBPBESRZSA-N 247.382 3.524 30 20 BHED CC1CCC(C)(CNc2ncccc2C#N)CC1 1651817492 JQVMJZIGKYFGFR-UHFFFAOYSA-N 243.354 3.582 30 20 BHED N#Cc1cc(NCc2cccs2)ccc1Cl 36972975 QRWRCRMBTVRQFK-UHFFFAOYSA-N 248.738 3.885 30 20 BHED C[C@H](NCCCCC#N)c1cccc(Cl)c1 42224802 UTZLEOARDBLNKO-NSHDSACASA-N 236.746 3.684 30 20 BHED N#CCc1ccc(NC/C=C/c2ccccc2)cc1 51790474 FVHGLLKQAQCDSF-QPJJXVBHSA-N 248.329 3.878 30 20 BHED Cc1cccc(CSCCCC#N)c1 54965695 GOTHPQYECQFAKK-UHFFFAOYSA-N 205.326 3.532 30 20 BHED CCCCCCCC(=O)NCC(C)(C)C 117010395 ULXNKJHOSVPJGN-UHFFFAOYSA-N 213.365 3.509 30 20 BHED C[C@@H](SCC1CC1)c1ccc(C#N)cc1 125265802 PNVTXNRMSYRMTK-SNVBAGLBSA-N 217.337 3.762 30 20 BHED C=CCC[C@H](C)N[C@@H](C)Cc1ccc(C)s1 126843533 JJOKAVOEWWRHFT-RYUDHWBXSA-N 237.412 3.932 30 20 BHED C=CC[C@H](C)N[C@H](C)c1sc(CC)nc1C 129609150 PJXIHXZPRGYZTI-VHSXEESVSA-N 238.400 3.629 30 20 BHED C=C(C)COC(=O)[C@@H](C)c1ccc(Cl)s1 176751751 RYQMBOUKDDLJNP-QMMMGPOBSA-N 244.743 3.624 30 20 BHED C[C@@H](C#N)Oc1ccccc1N[C@@H](C)C1CCC1 180206194 ZHAYVPJQTROLML-RYUDHWBXSA-N 244.338 3.578 30 20 BHED C[C@H](S[C@H]1CCO[C@@H]1C)c1cccc(C#N)c1 189865968 VGPAYDZZZBBUCS-SUNKGSAMSA-N 247.363 3.530 30 20 BHED N#Cc1cnccc1/C=C\c1ccccc1Cl 204120788 HOKRAERAFCJOOT-WAYWQWQTSA-N 240.693 3.777 30 20 BHED N#Cc1cnccc1/C=C/c1ccccc1Cl 204120801 HOKRAERAFCJOOT-AATRIKPKSA-N 240.693 3.777 30 20 BHED C=CCC[C@H](C)Nc1ccccc1CCOC 228070628 NOQPFQVLZJOLPI-ZDUSSCGKSA-N 233.355 3.642 30 20 BHED N#CCc1ccc(NC[C@H]2C[C@H]3CC[C@H]2C3)cc1 250237860 FVLFAORJIPNOJR-SOUVJXGZSA-N 240.350 3.601 30 20 BHED Cc1cccc(C)c1CON=Cc1cccs1 255636619 FCYADZNTPOMTGT-UHFFFAOYSA-N 245.347 3.916 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(F)c(F)c1 309577206 PIHOZOLNWNAXDQ-JTQLQIEISA-N 225.282 3.582 30 20 BHED C=CCN[C@@H](CC(C)C)c1ccccc1C 309636445 SRHLDAZODOWHNP-HNNXBMFYSA-N 217.356 3.858 30 20 BHED CCCC[C@H](CC)CNc1ccc(C#N)c(C)n1 311233249 RQLWQZBYRWEFQX-ZDUSSCGKSA-N 245.370 3.890 30 20 BHED CC1(C(O)=Nc2cccc3ocnc23)CCC1 328923220 UUJKQKZEEIHNHR-UHFFFAOYSA-N 230.267 3.606 30 20 BHED C=CCCCC[C@@H](C)N[C@H](C)C(F)(F)F 380085449 HKXQKFNLFHBVJR-NXEZZACHSA-N 223.282 3.662 30 20 BHED CC(C)Oc1ccc(OCC2(C#N)CCC2)cc1 418895967 UVTYXMZVTKMWIX-UHFFFAOYSA-N 245.322 3.546 30 20 BHED C[C@@H](CSCC1(C#N)CCC1)C(F)(F)F 419436300 CXTFNGCVNCSRJL-QMMMGPOBSA-N 237.290 3.612 30 20 BHED C=CC[C@H](C)NCc1cc2c(C)c(C)ccc2[nH]1 472080455 PAVJTUBTPCKYMX-LBPRGKRZSA-N 242.366 3.839 30 20 BHED C=CCOCCCSc1ccc(C)c(C)c1 475970644 XICCLEHFGPQINW-UHFFFAOYSA-N 236.380 3.988 30 20 BHED C=CCCC1(C(=O)N2CC(C)(C)[C@@H]2C(C)C)CC1 480452458 YJIJMFUCSHKPHR-ZDUSSCGKSA-N 249.398 3.626 30 20 BHED C=C1CCN(C(=O)[C@@H](C)CC2CCCCC2)CC1 511135020 MOMLVUWJZQOSIO-AWEZNQCLSA-N 249.398 3.772 30 20 BHED C=CCC(C)(C)CN[C@H]1CS[C@H](C(C)C)C1 517765820 JHWWNLQFTJTCRX-OLZOCXBDSA-N 241.444 3.708 30 20 BHED C=CCCN1CCSC[C@@H]1c1ccc(C)cc1 525328704 MCIPXIOHJSEVKW-OAHLLOKOSA-N 247.407 3.661 30 20 BHED C=C(CC)CN1CCC[C@@H]1c1ccccc1OC 538001309 VVOVXLHOXDCSEZ-OAHLLOKOSA-N 245.366 3.798 30 20 BHED C=C(CC)CN1CCCC[C@@H](SCC)C1 540204099 KCGIJJIEXOOLTF-CYBMUJFWSA-N 227.417 3.560 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CCCC 568811481 DJQMNTHPTMEPTD-GXTWGEPZSA-N 225.376 3.626 30 20 BHED C=CCC(C)(C)CN[C@@H]1CC=C(C)CC1 584366814 OAYLPRPPBNFFTC-CYBMUJFWSA-N 207.361 3.677 30 20 BHED C[C@@H](CCC(C)(C)C)NC[C@H](C)CCC#N 602556300 KIDOWQYPZWHPPV-OLZOCXBDSA-N 224.392 3.731 30 20 BHED C=CCCCN(C1CC1)[C@H](C)[C@@H](C)CC 605150585 BKDYWMMISZBWHO-QWHCGFSZSA-N 209.377 3.852 30 20 BHED C=CC[C@@H](C)NC(=O)[C@H](CCCC)C(C)C 621872014 GFVRSSQVXYHMRZ-CHWSQXEVSA-N 225.376 3.530 30 20 BHED C=C[C@](C)(CC)C(=O)N1C2CCCC1CCC2 682437761 YIWZAGMBEQYKIQ-SSDMNJCBSA-N 235.371 3.522 30 20 BHED C=CCCCON=Cc1ccc(Cl)cc1 740872748 MMQUJKFJTVBAFI-UHFFFAOYSA-N 223.703 3.657 30 20 BHED C=C(C)CCOC(=O)c1coc2ccccc12 744302918 HMRSNIBUXUBWET-UHFFFAOYSA-N 230.263 3.556 30 20 BHED C=CCCC(CC)=NNc1ccc([N+](=O)[O-])cc1 750912400 NSPUWVUQFVXRHM-UHFFFAOYSA-N 247.298 3.739 30 20 BHED CC(C)[C@H]1CC[C@@H](C)CC1=NOCC(F)F 758900516 XJBQXRIWIHUTSQ-NXEZZACHSA-N 233.302 3.716 30 20 BHED CC1(C)CC(=NOCC(F)F)CC(C)(C)C1 758902745 JYVOZEOSOHQADV-UHFFFAOYSA-N 233.302 3.860 30 20 BHED CCCC(CC)=NNc1ccc(OC)cc1 776188049 SZBPHEBAEITCLA-UHFFFAOYSA-N 220.316 3.673 30 20 BHED C#CCCCCCC(=O)N(C(CC)CC)C1CC1 779843234 XSHAFOJCGHYSDA-UHFFFAOYSA-N 249.398 3.750 30 20 BHED COCCON=C1CCC2(CCCCC2)CC1 786035545 CSXHBTRJJXRFPV-UHFFFAOYSA-N 239.359 3.530 30 20 BHED C[C@H](NN=C1CCCC(C)(C)C1)C(C)(C)C 793112861 XYOJAAVGKWMEEH-NSHDSACASA-N 224.392 3.967 30 20 BHED CC[C@H](C)CON=C[C@H]1C[C@H]1c1ccccc1 793144684 FOZGMMXANKFVEN-CFVMTHIKSA-N 231.339 3.839 30 20 BHED C[C@H](C=NNc1ccc([N+](=O)[O-])cc1)C(C)(C)C 800803942 PPNMXGMWJSAOGM-SNVBAGLBSA-N 249.314 3.675 30 20 BHED C[C@H]1CC(=NOC2CCCC2)c2ccccc21 807980847 ZUDWTENHIKWBGY-NSHDSACASA-N 229.323 3.857 30 20 BHED Fc1ccccc1NN=C1CCc2ccccc21 812459439 ZLKWUIABQOQVRG-UHFFFAOYSA-N 240.281 3.588 30 20 BHED Cc1sccc1C=NN[C@@H](C)c1ccccc1 814815174 PCXSNPDMLJBZMQ-NSHDSACASA-N 244.363 3.741 30 20 BHED CC[C@@H](C)CC=NNc1ccc(OC)cc1 834966768 SGMJJMVBBOCSBL-LLVKDONJSA-N 220.316 3.529 30 20 BHED C=CCCCCC[C@H](C)N[C@H](C)c1ccn(C)n1 839193087 YKTFBWBQETYAHF-UONOGXRCSA-N 249.402 3.596 30 20 BHED CC(=NOCc1ccccc1)c1ccc(C)s1 839422078 USQWSWASRDTDSX-UHFFFAOYSA-N 245.347 3.997 30 20 BHED C=C(C)CON=C[C@@H]1C(C)=CCC[C@H]1C 844617808 CVMMKIPNEVQRRJ-CHWSQXEVSA-N 207.317 3.557 30 20 BHED C1CC(=C2CCC(=NOC3CCC3)CC2)C1 853348491 IZRYWLOAXKMALQ-UHFFFAOYSA-N 219.328 3.966 30 20 BHED C=CC[C@@H](CC)NCc1cccc2ncccc12 873120782 ZWEXFCXXQCZCJZ-CQSZACIVSA-N 240.350 3.679 30 20 BHED C[C@H](CCC#N)CNC1CCCCCCC1 876886474 WJICFTOBPBVVQH-CYBMUJFWSA-N 222.376 3.629 30 20 BHED C=C(Cl)CS[C@H](C)c1nc(C(C)C)no1 917954365 PPRNRTFWQVIODD-MRVPVSSYSA-N 246.763 3.740 30 20 BHED C[C@H]1CCC[C@@H]([C@H](C)Nc2ncccc2C#N)C1 1186713333 LMNWDFBAHBRDGF-RWMBFGLXSA-N 243.354 3.580 30 20 BHED Cc1ccc2c(c1)CCCN2C[C@@H](C)CCC#N 1560742882 SHTMGAWNPGYTTH-AWEZNQCLSA-N 242.366 3.688 30 20 BHED CCCC[C@@H](CC)CN(C1CC1)[C@@H](C)C#N 1654165280 MLOFUGLERUCIBW-QWHCGFSZSA-N 222.376 3.579 30 20 BHED C[C@@H](Nc1ccc(C#N)cc1)c1ccc(C#N)cc1 19951024 XZJHNBMPPXVDTB-GFCCVEGCSA-N 247.301 3.603 30 20 BHED CC(C)(C#N)CCOc1cccc(Cl)c1 57713685 XSAPHRFDMICXAZ-UHFFFAOYSA-N 223.703 3.659 30 20 BHED Cc1ccc(CN(CC#N)C2CCCC2)cc1C 80215523 BPVLFBHOGHLYKH-UHFFFAOYSA-N 242.366 3.572 30 20 BHED CC(C)Nc1ccccc1S[C@@H](C)CC#N 88533445 RETCOMSLMLSCLZ-NSHDSACASA-N 234.368 3.901 30 20 BHED Cc1ccc(Cl)cc1OCCC(C)(C)C#N 88729881 LYQXYVCTXNNHIV-UHFFFAOYSA-N 237.730 3.967 30 20 BHED CCc1ccc([C@@H](NCCCC#N)C(C)C)cc1 96982077 PFPQAVZKNHWZDQ-INIZCTEOSA-N 244.382 3.839 30 20 BHED C=C(C)CSCc1ccc(F)cc1C#N 103167014 CNIJGNOLRAGWFR-UHFFFAOYSA-N 221.300 3.507 30 20 BHED C=CCN(C)Cc1ccc(Cl)c2cccnc12 121413552 DJNBICOVDHKGEW-UHFFFAOYSA-N 246.741 3.506 30 20 BHED CN(Cc1ccc(C#N)s1)C1CCCCCC1 122066926 KACKVYBCLWKFPG-UHFFFAOYSA-N 248.395 3.774 30 20 BHED C[C@@H](S)c1cc(Br)ccc1F 132151304 FQJWPXRKRYIORQ-RXMQYKEDSA-N 235.121 3.579 30 20 BHED CC#CCCSCc1csc(CCC)n1 154930804 QXXJAJKPONDDPF-UHFFFAOYSA-N 239.409 3.742 30 20 BHED C=CC[C@@H](C(=O)NCCC(C)C)c1ccccc1 189420361 KSOCXPKLQLQUBX-OAHLLOKOSA-N 245.366 3.509 30 20 BHED CC(C)(C#N)CCCCOc1ccc(C#N)cc1 232519783 DUHOMNHCFXROSL-UHFFFAOYSA-N 242.322 3.657 30 20 BHED C=CCCCN[C@H](C)c1ccc(C)c(C)c1 303520679 WMKXWGLLYCXHTP-CQSZACIVSA-N 217.356 3.920 30 20 BHED C=CCCCNc1ccccc1OCC1CC1 303854011 OREOQKDVGLRKGI-UHFFFAOYSA-N 231.339 3.854 30 20 BHED C=C(C)CCN[C@@H](C)c1cc(C)ccc1C 309847543 HKDSBMYDFBIVFQ-AWEZNQCLSA-N 217.356 3.920 30 20 BHED C[C@H]1CC(C)(C)C[C@@H]1Nc1cccc(CC#N)c1 313484358 VGZOQHOESOVZAA-WFASDCNBSA-N 242.366 3.989 30 20 BHED C=CCCCCNc1ncnc2oc(C)c(C)c12 349087722 ZAFAZSKZAZMSMN-UHFFFAOYSA-N 245.326 3.608 30 20 BHED C=C(C)CCN1CCC[C@H]1c1ccsc1 351860845 QOLKZFKTLCHKFX-ZDUSSCGKSA-N 221.369 3.851 30 20 BHED CCCCC(CC)=NOC/C=C\Cl 379409213 CKBDBNWPUQIXLZ-FFIYZWDUSA-N 203.713 3.712 30 20 BHED C[C@@H](CC(C)(C)C)NCc1ccc(C#N)cc1F 385142099 MDZHEPCMPLRTPD-NSHDSACASA-N 248.345 3.612 30 20 BHED C=C(C)CCN[C@@H](CC)c1ccsc1 395739810 TYKIMLXTVLWPTC-LBPRGKRZSA-N 209.358 3.755 30 20 BHED CC(C)(CN[C@@H]1CC[C@@H](C#N)C1)C1CCCCC1 442824585 HEZQGWVZLQEDBH-UKRRQHHQSA-N 248.414 3.875 30 20 BHED C=CCC1(C(=O)N2CCC(C)(C)C2)CCCCC1 449987878 DNWNZXVDSPCWGL-UHFFFAOYSA-N 249.398 3.772 30 20 BHED CCN(CC1(C#N)CCC1)[C@H]1CCCC[C@H]1C 450809269 KCYORVCYDMLMAY-KGLIPLIRSA-N 234.387 3.581 30 20 BHED C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[C@@H](C)C1 468109536 JMAZCFWDLYZMEZ-UMVBOHGHSA-N 237.387 3.531 30 20 BHED C=CCCCCNC(=O)NC(CC)(CC)CC 474085939 ZGADWMHEMXBQGV-UHFFFAOYSA-N 240.391 3.611 30 20 BHED C=CCC[C@H](CC)Nc1cccc2c1CCO2 475494464 IJWCOLVQRDRQOZ-LBPRGKRZSA-N 231.339 3.778 30 20 BHED C=C(C)CCSCCN(C(C)C)C(C)C 506387574 RUFBDPUDOSBCBM-UHFFFAOYSA-N 229.433 3.805 30 20 BHED CC[C@@H](NCC#Cc1ccc(F)cc1)C(C)(C)C 539493723 VVSVCZBBZCDWKS-OAHLLOKOSA-N 247.357 3.592 30 20 BHED N#CCC1(CSCc2ccc(F)cc2)CC1 596323747 JHWQWQIDHAGFRB-UHFFFAOYSA-N 235.327 3.753 30 20 BHED Cc1c(Cl)cnc(N[C@@H](C)C2CCC2)c1C#N 612086707 AKIIHOHRHTVELY-VIFPVBQESA-N 249.745 3.516 30 20 BHED C=CCC1(NC(=O)CC(C)(C)CC)CCCC1 619107754 JASQOWZPRHOBFN-UHFFFAOYSA-N 237.387 3.818 30 20 BHED C=CCCC(C)(C)NCc1nc2ccccc2o1 639334484 DTUKZFSEUNWFJG-UHFFFAOYSA-N 244.338 3.662 30 20 BHED C=CCC1(NCc2ccc(O)cc2)CCCCC1 648777363 NBXVJJLTHCRKAR-UHFFFAOYSA-N 245.366 3.761 30 20 BHED C=C(C)C[C@H](C)c1nc([C@H](CC)OCC)no1 665041906 YPLSRAUFZRTCRR-QWRGUYRKSA-N 238.331 3.627 30 20 BHED CC(C)(C)C=NNc1nc2ccccc2s1 755465084 UZVQDNKSXBJHSU-UHFFFAOYSA-N 233.340 3.740 30 20 BHED CCCC1CCC(=NO[C@@H]2CCCCO2)CC1 755817973 OOAISOMYNLYLQP-TYZXPVIJSA-N 239.359 3.876 30 20 BHED C#CCCCNc1cc(C)nc2c(F)cccc12 765507803 DMNIHVXWKXKXGD-UHFFFAOYSA-N 242.297 3.508 30 20 BHED C=CC[C@H](C(=O)O[C@H](C)CC)c1ccccc1 778429540 OWZOHUZRKKKSBD-OCCSQVGLSA-N 232.323 3.688 30 20 BHED C=C(Cl)COC(=O)[C@H](F)CC1CCCCC1 796205795 KGCPSELILXMQDZ-LLVKDONJSA-N 248.725 3.591 30 20 BHED Clc1ccccc1NN=CCCC1CC1 807944187 TZGHAXHEIXNROH-UHFFFAOYSA-N 222.719 3.928 30 20 BHED C#C[C@H](NCc1cc2ccccc2s1)C(C)C 809685434 TZQWPKVAYTUOEW-AWEZNQCLSA-N 243.375 3.649 30 20 BHED c1ccc(C2CC(=NOCCC3CC3)C2)cc1 814941636 OPUFEUACDCSKDL-UHFFFAOYSA-N 229.323 3.737 30 20 BHED C=C(C)CSCC[C@@H]1CC1(Cl)Cl 818153242 RSHGBASJUUMUBT-MRVPVSSYSA-N 225.184 3.880 30 20 BHED C[C@H]1CC(C)(C)CC1=NN[C@@H](C)c1ccncc1 819816513 KICGXYZYIULQJA-RYUDHWBXSA-N 245.370 3.544 30 20 BHED C=CCCCCCCCNCc1ncc(C)o1 877539968 RKMKSESLHASFLY-UHFFFAOYSA-N 236.359 3.599 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1cc(F)ccc1F 901180488 XNJNDGQQIAGHQH-VIFPVBQESA-N 239.265 3.506 30 20 BHED C=C(Cl)CN1CC[C@H](C)[C@H]2CCCC[C@@H]21 917052963 GKTMUVJPFOGWHB-UHTWSYAYSA-N 227.779 3.640 30 20 BHED N#CC1(CC(=O)OCCC2CCC2)CCCCC1 1347232133 WQVGYBLUNSLVLF-UHFFFAOYSA-N 249.354 3.584 30 20 BHED CC(C)(C#N)CCOc1ccccc1Cl 57713681 VDVNSWBPLWFOCL-UHFFFAOYSA-N 223.703 3.659 30 20 BHED CCCC[C@@H](CC)Nc1cccc(C#N)c1 68985480 OUUNFFPWBCWPDY-CYBMUJFWSA-N 216.328 3.939 30 20 BHED N#CCCCN1CC2(CCCC2)c2ccccc21 83243906 KMBIMGAGQRQHNJ-UHFFFAOYSA-N 240.350 3.622 30 20 BHED N#Cc1cccc(Sc2cccc(Cl)c2)n1 83928229 NVMFRRPGBYUHGW-UHFFFAOYSA-N 246.722 3.758 30 20 BHED CC[C@@H](C)CN[C@@H](CCC#N)c1ccccc1 93109618 FADCLCYKNUSZDZ-HIFRSBDPSA-N 230.355 3.667 30 20 BHED CCc1ccc(-c2nc3cc(C#N)ccc3[nH]2)cc1 105668527 JOSMROGOASFSEP-UHFFFAOYSA-N 247.301 3.664 30 20 BHED C=CCN(C(=O)[C@H](C)CCC)c1ccccc1 112785123 YENWSPQWMYBLEO-CYBMUJFWSA-N 231.339 3.642 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 116907847 NBBFEZFFMOTVGW-ZJUUUORDSA-N 225.282 3.580 30 20 BHED C=CCCCNc1cccc(OCCCC#N)c1 157159178 WHCSHBNOGYHAFS-UHFFFAOYSA-N 244.338 3.747 30 20 BHED C#CCCCSc1nc2ccccc2s1 161020873 UNACGUVYQFZIGU-UHFFFAOYSA-N 233.361 3.802 30 20 BHED C[C@H]1C[C@H](NCc2ccc(C#N)s2)CC[C@H]1C 168964523 QCEXOTREXQCVQG-GRYCIOLGSA-N 248.395 3.534 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc2ccccc2n1 180948331 BFRSAWIVVAZWJO-OLZOCXBDSA-N 240.350 3.850 30 20 BHED N#CCCCSCCCc1cccc(F)c1 191005532 POFSEFXDNRIYOF-UHFFFAOYSA-N 237.343 3.795 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cnn(C(C)(C)C)c1C 191368328 CUJYJEXSNFRAKZ-VXGBXAGGSA-N 249.402 3.562 30 20 BHED C=CCN(Cc1ccccc1)CC1CCCC1 195599418 NTGWSTHNLRUYCV-UHFFFAOYSA-N 229.367 3.865 30 20 BHED C=CCCCOc1cnc2ccccc2c1 228035847 IFIWEULQWURWMS-UHFFFAOYSA-N 213.280 3.580 30 20 BHED CC(C)[C@@H](C)SCCOc1cccc(C#N)c1 231192381 APJCNJVSSHYPJV-GFCCVEGCSA-N 249.379 3.715 30 20 BHED C#C[C@@H](CCC)N[C@@H](CC)c1ccc(F)cc1 233295764 WGIVIGWYNWUJLV-GJZGRUSLSA-N 233.330 3.668 30 20 BHED CC(C)[C@@H]1CCCCN1Cc1ccccc1C#N 303717624 VOLNSCRZSXXSOH-INIZCTEOSA-N 242.366 3.569 30 20 BHED C=C(C)CCOc1ccc(Cl)cc1F 308513054 CUVJQYNDQHDZLK-UHFFFAOYSA-N 214.667 3.824 30 20 BHED C=CCC[C@H](N[C@@H]1CCC(C)(C)C1)C1CC1 309830531 YKOGAAJNWGMFIK-KGLIPLIRSA-N 221.388 3.900 30 20 BHED N#CCc1cccc(NCc2ccc(Cl)o2)c1 313436159 LLNGPESBCNSSDP-UHFFFAOYSA-N 246.697 3.611 30 20 BHED C=C(C)COCCN[C@@H](CC)c1cccc(C)c1 336785422 DJJYVDNECGDINZ-INIZCTEOSA-N 247.382 3.628 30 20 BHED C=CCCCCN[C@H](C)c1ccc(OC)cc1 379867345 NMIZPIQDQPCHRZ-CYBMUJFWSA-N 233.355 3.702 30 20 BHED C[C@@H]1CCCC[C@H]1CNc1ccc(CC#N)cc1 394849611 HDZRRYHPCPFTCP-HIFRSBDPSA-N 242.366 3.991 30 20 BHED CC[C@H](NCc1ccc(C#N)cc1)C1CCCC1 395643323 BKSABQMGJKFQOF-INIZCTEOSA-N 242.366 3.617 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1C 424750089 FTZYEDFFNUKVBG-MELADBBJSA-N 237.387 3.674 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccccc1N(C)C 453312155 UTFIOVMIYJSKLY-ZDUSSCGKSA-N 246.398 3.615 30 20 BHED C=CCC(CC=C)C(=O)N[C@H]1CCC[C@@H](C)CC1 468074578 SGMAAQHUTUXWEP-HIFRSBDPSA-N 249.398 3.840 30 20 BHED C=CCCN1CCC[C@@H](Cc2ccccc2)C1 524811259 BTOILFVATMSFTC-INIZCTEOSA-N 229.367 3.517 30 20 BHED Cc1c(Cl)cccc1OCCC(C)(C)C#N 530180673 DXASBFKLBYTQTB-UHFFFAOYSA-N 237.730 3.967 30 20 BHED C=CCN[C@@H](c1ccc(F)cc1F)C(C)(C)C 540424733 WNTQSYYMIIPNQB-ZDUSSCGKSA-N 239.309 3.828 30 20 BHED C=CC[C@H](C)NC(=S)Nc1c(C)cccc1C 734988366 XLMNGZLJYKVZPX-LBPRGKRZSA-N 248.395 3.554 30 20 BHED Cc1ccc(C)c(OCCCON=C2CCC2)c1 735489921 KEUWNFIQMIOGFN-UHFFFAOYSA-N 247.338 3.629 30 20 BHED C=CCN(CC)Cc1ccc(C(F)(F)F)cc1 746140506 VEWAZTMHIYPNBA-UHFFFAOYSA-N 243.272 3.713 30 20 BHED CCC(=NOCC(C)C)c1cccs1 749631684 OBVTVCCBKDNUCI-UHFFFAOYSA-N 211.330 3.535 30 20 BHED Clc1ccnc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)c1 762434692 UGQXNYAOKGIEEO-DCAQKATOSA-N 249.745 3.569 30 20 BHED CCCCCCCC(=O)N1CC[C@@H](C)[C@@H]1CC 772870682 YVOTZVBVWIQYCQ-KGLIPLIRSA-N 239.403 3.994 30 20 BHED C=C[C@H](CC(=O)OCC=C(C)C)c1ccccc1 775281822 ZUEPUXLTOPNEJG-CQSZACIVSA-N 244.334 3.856 30 20 BHED C=CCC[C@@H](C(=O)OCC1CC1)c1ccccc1 778552132 KOQXYEFWNUZTOZ-OAHLLOKOSA-N 244.334 3.690 30 20 BHED CC(C)(C)CCC(=O)OCCCC(C)(C)C#N 783742301 CBLWJTJZYUWWKW-UHFFFAOYSA-N 239.359 3.686 30 20 BHED C=C[C@@](C)(CC)C(=O)NC1CCCCCCC1 785440812 DPFIICSAJATNCD-HNNXBMFYSA-N 237.387 3.818 30 20 BHED C=CCCCCC[C@@H](C)N[C@H](C)c1cnn(C)c1 793533897 KZMWLPZMAMYUAZ-ZIAGYGMSSA-N 249.402 3.596 30 20 BHED CSCCON=C(CC(C)(C)C)C1CC1 794575210 ZMEXJNCWXOSHMP-UHFFFAOYSA-N 229.389 3.568 30 20 BHED CCc1cccc(C)c1NN=C[C@@H](C)CCC#N 799492336 PHNAFANFBOYINR-LBPRGKRZSA-N 243.354 3.895 30 20 BHED CCc1cccc(C)c1NN=C[C@H]1C[C@H]1C 799493747 NOURIJXDKMULDK-DGCLKSJQSA-N 216.328 3.611 30 20 BHED C=CCCCCCCNC(=O)[C@@H](C)CCC 805217853 MALFEBDDQAXHAJ-ZDUSSCGKSA-N 225.376 3.675 30 20 BHED C#CCC(C)(C)c1nc([C@H](C)C(C)(C)C)no1 809414070 RSAIBWRFOLZACL-JTQLQIEISA-N 234.343 3.520 30 20 BHED CC[C@@H](C)NN=C1CCC2(CCCC2)CC1 811648752 QHNGOQBJUWZPAG-GFCCVEGCSA-N 222.376 3.865 30 20 BHED CC(CCc1ccco1)=NOCc1ccccc1 839421613 KMMYSYRYESCYBG-UHFFFAOYSA-N 243.306 3.805 30 20 BHED CCCc1ccc(CON=CC2CC2)cc1 853734419 DITCJVGNWFTHMV-UHFFFAOYSA-N 217.312 3.552 30 20 BHED Cc1ccc([C@H](C)C=NOC/C=C\Cl)cc1 863112062 IYRFQJVJHUCIMB-VXGBXNKBSA-N 237.730 3.853 30 20 BHED C=CCC1(C(=O)N2CC3CCC2CC3)CCCC1 1324947329 VDYUEVFJOOTTHR-UHFFFAOYSA-N 247.382 3.524 30 20 BHED CCC[C@@H](C)CC(=O)Nc1cc(C)cc(C#N)c1 1436716700 ZXRSDBMNBVCEHU-LLVKDONJSA-N 244.338 3.632 30 20 BHED CC1(C)CCC[C@@H](CN2CCC[C@](C)(C#N)C2)C1 1461998584 PRHSPLVYCYKQGD-GDBMZVCRSA-N 248.414 3.828 30 20 BHED CC[C@H](C)CNc1cccc(OCCCC#N)c1 37777472 XEIUIPBDQNIDCK-ZDUSSCGKSA-N 246.354 3.827 30 20 BHED CCCCCCNc1snc(Cl)c1C#N 48544032 XZQOYCALXWUWQP-UHFFFAOYSA-N 243.763 3.660 30 20 BHED CCCCCCCOc1ccc(CCO)cc1 106150094 HDBYSRIMUVSIOG-UHFFFAOYSA-N 236.355 3.571 30 20 BHED C=CCC(CC=C)C(=O)Nc1cc(F)ccc1C 120982959 BREDFXAPVPIYSE-UHFFFAOYSA-N 247.313 3.841 30 20 BHED C=C(C)COCCN[C@@H](C)c1cc(C)ccc1C 125629344 KRLCDQHFMIRBMC-HNNXBMFYSA-N 247.382 3.547 30 20 BHED C=CCC[C@H](C)NCc1ccc(Cl)s1 126797171 QKZFUBZDDQNCSG-VIFPVBQESA-N 229.776 3.846 30 20 BHED C=C[C@H](C)NCc1ccc2ccccc2c1 130499442 GJXMNZGVLILAGG-LBPRGKRZSA-N 211.308 3.504 30 20 BHED C=C(CNc1ccc(C#N)cc1)c1ccccc1 134356989 KUQVSCNNOMXJTD-UHFFFAOYSA-N 234.302 3.684 30 20 BHED CC(C)CN(Cc1cc(F)ccc1C#N)C(C)C 177264124 HHXWQNTYJMNVKT-UHFFFAOYSA-N 248.345 3.564 30 20 BHED C=CCCC[C@H](C)NC(=O)C1(CC)CCCC1 182600647 YZSSLHJQELAKJQ-ZDUSSCGKSA-N 237.387 3.818 30 20 BHED C=CCCOc1ccccc1-c1nccs1 187222181 CSUDANWKJSTZFL-UHFFFAOYSA-N 231.320 3.765 30 20 BHED N#CCCCSCc1ccc2c(c1)CCC2 190946888 IYLWNEBMSIZUDH-UHFFFAOYSA-N 231.364 3.712 30 20 BHED CCC#C[C@@H](C)N[C@@H](C)c1ccccc1Cl 309829063 YBIKZJXOVVYSQY-NEPJUHHUSA-N 235.758 3.793 30 20 BHED C=CCCN(Cc1cccc(F)c1)C(C)C 338545902 DAHKYNBQDRODDA-UHFFFAOYSA-N 221.319 3.612 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccsc1 385048724 QGGHLQCFJAQVNX-SNVBAGLBSA-N 209.358 3.611 30 20 BHED C=C(C)CCNC1CC(c2ccccc2C)C1 386813463 SCPYTIDTXVFKCV-UHFFFAOYSA-N 229.367 3.797 30 20 BHED N#CC1(CSc2cccs2)CCCC1 405125466 KTPZKXBTQCWISR-UHFFFAOYSA-N 223.366 3.924 30 20 BHED CC[C@H](CSCc1ccc(C#N)c(C)c1)OC 419643780 XDKLQDGOSYMIJK-CQSZACIVSA-N 249.379 3.525 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccccc1SC 425381378 FWBMLINEKKEZCF-UHFFFAOYSA-N 249.379 3.949 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccc(C)cc1OC 425443993 BHWWNZJQTAPUPV-UHFFFAOYSA-N 247.338 3.544 30 20 BHED C=CCN(C)[C@@H]1CC[C@](C)(c2ccccc2)C1 437959786 UMAVTKSZXVPUNB-CVEARBPZSA-N 229.367 3.615 30 20 BHED C=CCC1(C(=O)N(C)C2CCC2)CCCCC1 450008141 FTGWZVIZACFJLI-UHFFFAOYSA-N 235.371 3.524 30 20 BHED C=CCN(CC)[C@H](CC)c1ccccc1 486978500 UAYQZUNQANEKTE-CQSZACIVSA-N 203.329 3.646 30 20 BHED C=C(C)CN(CC)C(=O)C[C@@H]1CCC[C@@H](C)C1 497475072 WINPNSLBNWEFIJ-ZIAGYGMSSA-N 237.387 3.627 30 20 BHED C=CCCCCCN(C)CC1CCCC1 523551023 IAJKCOLCHWIGIX-UHFFFAOYSA-N 209.377 3.855 30 20 BHED C=CCCCNc1cc(OC)ccc1OC(C)C 570980032 QWVWXAIWLNDLOL-UHFFFAOYSA-N 249.354 3.861 30 20 BHED C=CCCCCSCCOC(C)C 573669060 VKCZTLLMWCXWDR-UHFFFAOYSA-N 202.363 3.501 30 20 BHED C=CCCCCN1CCC[C@@H]1c1ccncc1 649398395 QRRLRCAEJWKEHD-OAHLLOKOSA-N 230.355 3.575 30 20 BHED Cc1ccc(C2CC(=NOCC(F)F)C2)cc1 758903651 NMDDINMZWMAKBB-UHFFFAOYSA-N 239.265 3.510 30 20 BHED C[C@@H]1CCC(=NOCCC(F)(F)F)C[C@H]1C 777455594 JUUNNNNTZSUZBC-RKDXNWHRSA-N 237.265 3.768 30 20 BHED C=CCCCCCOC(=O)C1(F)CCCC1 784799931 ANYIXNRLVUAXFE-UHFFFAOYSA-N 228.307 3.558 30 20 BHED CCCC[C@@H]1CCCC1=NN[C@@H](C)CC 790189562 PAJFVJKGKFSUMA-NWDGAFQWSA-N 210.365 3.721 30 20 BHED CCC(=NN[C@@H](C)CC)C1CCCCC1 790191281 YFAQEMYTUGSLCE-NSHDSACASA-N 210.365 3.721 30 20 BHED CC(=NN[C@@H](C)C(C)(C)C)C1CCCC1 793112069 OPXSWHVMZMZHKM-NSHDSACASA-N 210.365 3.577 30 20 BHED C=CCNN=C(C)[C@@H](C)c1ccc(Cl)cc1 794999994 WBVUNMLAAXPMBM-SNVBAGLBSA-N 236.746 3.595 30 20 BHED C=CCCCCCCN[C@@H](CC)c1ccn(C)n1 806167817 LVCVHSXBEPXCOW-AWEZNQCLSA-N 249.402 3.597 30 20 BHED C[C@H]1C[C@H](C)CCC1=NOC/C=C\Cl 811668480 GRZSIJJKVGHBEN-RDENHSKPSA-N 215.724 3.568 30 20 BHED CC[C@@H](C=NO[C@@H]1CCCCO1)c1ccccc1 814887792 MQODAGURIKCYNX-DZGCQCFKSA-N 247.338 3.709 30 20 BHED CCc1cccc(C)c1NN=C1CCOC1(C)C 814923878 ZTJCSHRQOVUMLJ-UHFFFAOYSA-N 246.354 3.524 30 20 BHED CS[C@@H]1CCCC(=NNc2ccccc2)C1 901123292 MCEGXQWXXUHHOG-CYBMUJFWSA-N 234.368 3.760 30 20 BHED CCCC(C)=NNc1ncc(Cl)cc1Cl 916316506 CZCRHXMWGHDMRC-UHFFFAOYSA-N 246.141 3.976 30 20 BHED CCC(CC)c1nnc(-c2cccc(C#N)c2)o1 1326302153 LQVUTHBHFHLFBH-UHFFFAOYSA-N 241.294 3.512 30 20 BHED C=CCC(C)(C)CNC(=N)Nc1ccccc1C 1329225082 AIOQSACWBFWVDZ-UHFFFAOYSA-N 245.370 3.534 30 20 BHED C=CCC[C@H](NC(=O)C(=C)CC)c1ccccc1 1521265680 FRYHDGBCRRNLIK-HNNXBMFYSA-N 243.350 3.776 30 20 BHED C=CC[C@@H](SC1CCC(C)(C)CC1)C(=O)O 1588758988 NCAUXFNXJOJROZ-LLVKDONJSA-N 242.384 3.718 30 20 BHED Cc1cc(C)c(C)c(Oc2ccnc(C#N)c2)c1 61815360 QEEWYWIUMVPFKZ-UHFFFAOYSA-N 238.290 3.671 30 20 BHED N#CCCSc1ccc(Cl)c(Cl)c1 83867108 OMBOJEXGWWCONM-UHFFFAOYSA-N 232.135 3.999 30 20 BHED CC(C)(C#N)CCSc1ccc(Cl)cn1 87596289 RUFHWIGOKIBGJT-UHFFFAOYSA-N 240.759 3.767 30 20 BHED C=CC[C@H](C)NC(=O)[C@H](CC)CC1CCCC1 116855082 METULEWCWQTKSP-GXTWGEPZSA-N 237.387 3.674 30 20 BHED CCCC[C@H](CC)CNc1ncccc1C#N 220565878 SMVONFRMOIYMDA-LBPRGKRZSA-N 231.343 3.582 30 20 BHED CC(C)[C@@H](C)Sc1cccc(C#N)c1 227863730 PVLNHDGNSWEKMR-SNVBAGLBSA-N 205.326 3.695 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H]1CC(C)(C)OC1(C)C 245903986 FAFCNJGXKYFOGY-AVGNSLFASA-N 239.403 3.523 30 20 BHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1cccc(C)c1 287329779 FVIYNLMBXDUCNE-SWLSCSKDSA-N 245.322 3.539 30 20 BHED Cc1cc(C#N)cc(NC[C@H](C)C(C)(C)C)c1 308102869 JDRPZBRZGUUFON-LBPRGKRZSA-N 230.355 3.961 30 20 BHED C=CCC(C)(C)CNC[C@@H](C)c1ccccc1 310135650 BZGYSFFOKUYHEU-CQSZACIVSA-N 231.383 3.982 30 20 BHED CCCC[C@H](C)N(C)Cc1cc(C#N)ccc1F 311234070 SDKRKZVWZKJPAY-LBPRGKRZSA-N 248.345 3.708 30 20 BHED C=C(C)CN(C)C(=O)c1ccc2sccc2c1 335817121 JPBLPSZEHOUADR-UHFFFAOYSA-N 245.347 3.549 30 20 BHED C=CCN(CCc1ccco1)Cc1cccs1 352973834 DGUVGSAOJHGEPB-UHFFFAOYSA-N 247.363 3.572 30 20 BHED N#Cc1ccc(NCCC2=CCCCCC2)cn1 361756643 OHCRGXQQBIVJSE-UHFFFAOYSA-N 241.338 3.646 30 20 BHED C=CCCNc1c(F)cccc1NC(C)C 381130955 KRKSDKGYNLTVRJ-UHFFFAOYSA-N 222.307 3.634 30 20 BHED C#CCCCCNC[C@@H]1CCCC(C)(C)C1 390558082 RCXNSVNHVMNYEA-CQSZACIVSA-N 221.388 3.596 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@@H](C)CC1CCCC1 410125475 XZWGVAHHYKHKEG-GXTWGEPZSA-N 237.387 3.674 30 20 BHED N#CCCN[C@@H](c1ccccc1F)C1CCCC1 411478518 ULUMQPJFTYTURO-OAHLLOKOSA-N 246.329 3.560 30 20 BHED CC[C@@H](C)CN[C@H]1CCCc2cc(C#N)ccc21 418143934 JOGGPHSCQORRKF-WBMJQRKESA-N 242.366 3.571 30 20 BHED C=CCCCC[C@H](C)NC[C@@H]1CCO[C@@H](C)C1 493706899 NKKRZADQECLZJR-SOUVJXGZSA-N 239.403 3.526 30 20 BHED C=C(C)CCN(C)CC1(c2ccccc2)CC1 510792821 UOYSKLIZBMAOPR-UHFFFAOYSA-N 229.367 3.616 30 20 BHED C=CCN[C@H](c1cccc(F)c1)C1CCCC1 537125148 ZDRXLPJFTIBXEU-HNNXBMFYSA-N 233.330 3.833 30 20 BHED C=C(CC)COc1c(F)c(F)cc(F)c1F 540210927 LMJZSIKROUMYMC-UHFFFAOYSA-N 234.192 3.588 30 20 BHED N#CCCCN[C@@H]1CCCc2ccc(Cl)cc21 541571193 PGHDGEZBNQXOTI-CQSZACIVSA-N 248.757 3.611 30 20 BHED CCCCc1ccc([C@@H](C)NCCCC#N)cc1 542499075 NVBYSIBEHRGXDG-CQSZACIVSA-N 244.382 3.984 30 20 BHED CCC[C@H]1CCCC[C@@H]1NCC1(CC#N)CC1 583440613 NDHZIDSCBMCQFE-KBPBESRZSA-N 234.387 3.629 30 20 BHED CC(C)CCCSCC1(CC#N)CC1 594898677 YMYYWQQWLCAWTM-UHFFFAOYSA-N 211.374 3.850 30 20 BHED C[C@H](CCC#N)CNc1ccc2ncccc2c1 602588733 NLXPSYCRGFKENF-GFCCVEGCSA-N 239.322 3.587 30 20 BHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)CCCC)C1 617778521 ILSQLLYZAJXMOP-KBPBESRZSA-N 237.387 3.627 30 20 BHED CCCC(=NNCC(F)F)C1CCCCC1 740615984 BUEBRRHTTSPSTG-UHFFFAOYSA-N 232.318 3.578 30 20 BHED C=C1CCN(C(=O)[C@@H](C)CCCCCC)CC1 742067522 LAOQKIDTWCUYNP-AWEZNQCLSA-N 237.387 3.772 30 20 BHED CC[C@H](C)C=NNc1ncc(Cl)cc1Cl 755540733 DPLWRGXDRGOXII-ZETCQYMHSA-N 246.141 3.832 30 20 BHED CC(CC1CC1)=NNc1ccccc1Cl 756815830 OYLGJWGZXSBVJH-UHFFFAOYSA-N 222.719 3.928 30 20 BHED CCCC(CCC)=NN[C@H]1C[C@H]2CC[C@H]1C2 774609905 ZBIMFJDFPDZLKD-OBJOEFQTSA-N 222.376 3.721 30 20 BHED C#CCCCN[C@@H](CC)c1ccccc1OCC 775084379 DTLCHHUQGLBQTF-HNNXBMFYSA-N 245.366 3.539 30 20 BHED CC(=NOC1CCCCC1)c1ccc(C)cc1O 777457102 KVIXPKFXMIJILJ-UHFFFAOYSA-N 247.338 3.774 30 20 BHED CCCCCCCCNC(=O)/C=C/c1ccc[nH]1 783691260 UYOQROPEMOMSSV-ZHACJKMWSA-N 248.370 3.505 30 20 BHED CC[C@@H](C)NN=C(C)c1ccc(OC(C)C)cc1 790189949 STOBKUSVQKHYSK-GFCCVEGCSA-N 248.370 3.586 30 20 BHED C=CCN(Cc1ccsc1Cl)C(C)C 792162621 OUVNCWYQZGYUIW-UHFFFAOYSA-N 229.776 3.798 30 20 BHED CSCCON=C(C)[C@@H](C)c1ccccc1 794572775 HSOIYLZBCXNXHK-LLVKDONJSA-N 237.368 3.546 30 20 BHED CCC[C@H](C)C(CC)=NNc1ncccc1F 794985560 UBEXHIGLEZNHDO-JTQLQIEISA-N 237.322 3.835 30 20 BHED C#Cc1ccc(CNc2cccc(CC)c2)cc1 809596514 HBUGZZQMGXNKEP-UHFFFAOYSA-N 235.330 3.842 30 20 BHED Fc1ccc(C=NOC/C=C/Cl)c(Cl)c1 811671347 DCALNPFUUIPMRC-UOZKWQDASA-N 248.084 3.582 30 20 BHED C=CCCCOC(=O)c1cc(F)ccc1Cl 814511094 IDCKPGIPBLABIX-UHFFFAOYSA-N 242.677 3.602 30 20 BHED Fc1ccc(CON=C2C[C@H]3CC[C@H]2C3)cc1 814903687 VQAHTCTYXSVQKH-RYUDHWBXSA-N 233.286 3.518 30 20 BHED CC(C)CC=NNc1ccc(F)c(F)c1F 814946695 UFPPRGZUQNRLMC-UHFFFAOYSA-N 230.233 3.548 30 20 BHED CCCCCCCNC(=O)C1(C)CC(F)(F)C1 824844733 GREPELHLNICXJW-UHFFFAOYSA-N 247.329 3.508 30 20 BHED CC(C)CCSc1nc(C#N)c(Cl)s1 853393246 YZVAIYZQQUXGPJ-UHFFFAOYSA-N 246.788 3.806 30 20 BHED C[C@@H]1C[C@H]1C=NNc1ccc(F)c(Cl)c1 863179459 XDANKHYWWVWHAR-SFYZADRCSA-N 226.682 3.533 30 20 BHED CCCCCCCCN[C@H](C)c1ncco1 886532011 BSPRBPFYWQOPAO-GFCCVEGCSA-N 224.348 3.686 30 20 BHED CC(=NNc1nccc2sccc12)C(C)C 915980265 RWASDZUSNRXSGH-UHFFFAOYSA-N 233.340 3.740 30 20 BHED CC(C)CN(CCC#N)C[C@@H]1CCCC[C@H]1C 1167457786 KTMIKILRUPHLAJ-CABCVRRESA-N 236.403 3.684 30 20 BHED CC(C)(C#N)CCCN1CCCCCCC1 87608448 WAUMVDRZOLVNHS-UHFFFAOYSA-N 222.376 3.582 30 20 BHED Cc1ccc(NCc2ccc(C#N)s2)cc1 135497091 ZVYCNJKDLALTOD-UHFFFAOYSA-N 228.320 3.540 30 20 BHED C=CCCN(CC)[C@H](C)c1cccc(OC)c1 172621401 SPUDLMSFJMUFIR-CYBMUJFWSA-N 233.355 3.654 30 20 BHED CCN(Cc1cc(C#N)cs1)c1ccccc1 191458745 JQKMMBHVEYKXGI-UHFFFAOYSA-N 242.347 3.646 30 20 BHED C=C(CN[C@@H]1CCCC[C@@H]1C)c1ccccc1 211842533 NPAQANKDFPLHAE-XJKSGUPXSA-N 229.367 3.868 30 20 BHED CN(CCCCC(C)(C)C#N)C1CCCC1 234271121 BJSSZANSJYVYNM-UHFFFAOYSA-N 222.376 3.581 30 20 BHED c1ccc2c(c1)CCC[C@H]2ON=C1CCC1 271716036 ILLIKMQYMLTGRV-CQSZACIVSA-N 215.296 3.621 30 20 BHED C=CC[C@@H](CC)NC(=O)Nc1cc(C)ccc1C 281204521 BYNRJTMDESOHRV-CYBMUJFWSA-N 246.354 3.780 30 20 BHED N#Cc1ccc(NCC2(c3ccccc3)CC2)cc1 301072741 IDRSMOYBBRFENN-UHFFFAOYSA-N 248.329 3.702 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1cc(C)oc1C 310032970 RSICMPDLYKNFIP-DGCLKSJQSA-N 221.344 3.902 30 20 BHED C=C(CC)CS[C@@H](C)c1ncc(C)o1 358637003 PEXJDSABPBQKMR-JTQLQIEISA-N 211.330 3.743 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(F)c(C)c1 390469898 IVHZWFICRFGUOK-LBPRGKRZSA-N 221.319 3.751 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCc2c(OC)cccc21 467401472 AHWIGVMSBMQHOE-SWLSCSKDSA-N 245.366 3.627 30 20 BHED C=CCCCC(=O)N[C@@H](c1cccs1)C1CC1 480558512 URUNUSUZJIAJAP-CQSZACIVSA-N 249.379 3.672 30 20 BHED C=CCOc1cccc(CN(C)[C@@H](C)C(C)C)c1 507250464 APAKDKZWJUWFLS-AWEZNQCLSA-N 247.382 3.728 30 20 BHED CCC[C@H](CC)Sc1cccc(C#N)n1 530430778 PAQYDTSSEISVCF-NSHDSACASA-N 220.341 3.624 30 20 BHED C=CCN(Cc1cc(Cl)ccc1F)C1CC1 542692039 WYASNRMGGKHGOD-UHFFFAOYSA-N 239.721 3.630 30 20 BHED C=C(CN[C@H](C)c1cscn1)c1ccccc1 678114829 NXATUZWYYQYRJE-GFCCVEGCSA-N 244.363 3.507 30 20 BHED C=C(C)COC(=O)[C@H](Cc1ccccc1)C(C)C 740264496 SXNGOHGPEUCPLJ-OAHLLOKOSA-N 246.350 3.621 30 20 BHED CCCCCCCN(CCC)CC(F)F 740875771 IGJIYPNKHNAXCV-UHFFFAOYSA-N 221.335 3.934 30 20 BHED C=C(C)COC(=O)[C@@H](CC(C)C)c1ccccc1 741049566 GOHSJETYFZJTKM-HNNXBMFYSA-N 246.350 3.936 30 20 BHED Cc1ccc(NN=Cc2cc(F)cc(F)c2)cc1 755465680 NWYCYRDTZPXUKR-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C#CCC(C)(C)C(=O)O[C@H](C)c1cccc(C)c1 767090526 AJTXJWZVDCGHHU-CYBMUJFWSA-N 244.334 3.649 30 20 BHED CCC(=NNc1ncccc1C)c1ccccc1 790186513 PXPVTDCXTWEEGC-UHFFFAOYSA-N 239.322 3.616 30 20 BHED C[C@H](NN=CC1CCCCC1)C(C)(C)C 793111473 HZPPRDUWSMQBPJ-NSHDSACASA-N 210.365 3.577 30 20 BHED CC[C@@H]1CCC1=NNc1cccc(Cl)c1 807942680 HDZJSVGQGSTIES-SECBINFHSA-N 222.719 3.928 30 20 BHED C=C(C)COC(=O)c1csc2ccccc12 809096424 XXYLRCQTEJDEOA-UHFFFAOYSA-N 232.304 3.634 30 20 BHED C=CCCCCCCCNC(=O)[C@H]1CC12CCC2 810767102 ORVPSYCWAXWVSG-CQSZACIVSA-N 249.398 3.819 30 20 BHED C[C@@H]1CCCC(=NOCCC2CC2)[C@@H]1C 814245848 KKVKIEYEPPUXFY-GHMZBOCLSA-N 209.333 3.615 30 20 BHED C[C@H]1CCC(=NN[C@@H](C)c2ccccc2)C1 814815798 HCYSSCXHUSNLCU-RYUDHWBXSA-N 216.328 3.513 30 20 BHED CC[C@@H](C)CON=C1CCC(CSC)CC1 834981425 OSOQAMLOYQUIKW-JHJMLUEUSA-N 243.416 3.958 30 20 BHED C[C@@H]1CCCCN1N=Cc1ccsc1Cl 853378919 FCVIQYCCINZHJH-SECBINFHSA-N 242.775 3.610 30 20 BHED C=CC(C)(C)CC(=O)N1CCC[C@@H]1C1CCCC1 878364537 GREUKMLXAYAFBZ-CQSZACIVSA-N 249.398 3.770 30 20 BHED Oc1ccc(Cl)cc1/C=N/CCCC(F)F 1334872806 GDEOJCJXVTWHDD-VIZOYTHASA-N 247.672 3.510 30 20 BHED Cc1ncccc1CSCCCC(C)(C)C#N 1343588164 NVOXDMWLURJSAG-UHFFFAOYSA-N 248.395 3.953 30 20 BHED C[C@@H]1CCCC[C@H]1CSc1cc(C#N)ccn1 1458913407 NRARURCMSNSMQK-YPMHNXCESA-N 246.379 3.872 30 20 BHED C=C(Cl)CN[C@@]1(c2ccccc2)CC1(C)C 1473675309 MRIXESFMPOECQM-CQSZACIVSA-N 235.758 3.654 30 20 BHED C[C@H]1CCC[C@H](CCN(CCC#N)CC2CC2)C1 1657466497 CSNUGWXMYLPLHS-LSDHHAIUSA-N 248.414 3.828 30 20 BHED CCC[C@@H](CC)Nc1nc(C)cc(C)c1C#N 50164972 JQRJNJBHZAWFDJ-GFCCVEGCSA-N 231.343 3.561 30 20 BHED C#Cc1cccc(N[C@@H](C)CC2CCC2)c1 132380674 YBASILULWSKCPP-LBPRGKRZSA-N 213.324 3.659 30 20 BHED C=C(CN[C@H](C)C(C)(C)C)c1ccccc1 133313143 VOBVJBUYAJTXJQ-CYBMUJFWSA-N 217.356 3.724 30 20 BHED C=CC[C@@H](C)N[C@H](c1ccccc1)C(C)C 162083213 RKDHOUKCRNJPJX-HIFRSBDPSA-N 217.356 3.938 30 20 BHED C=C(C)CCNc1cc(Cl)ccc1F 168957272 UKOLIXLDWRWMJX-UHFFFAOYSA-N 213.683 3.857 30 20 BHED CC[C@@H]1CCc2ccccc2N1CCCC#N 178070448 UNEAQDAMFPGBKD-CQSZACIVSA-N 228.339 3.522 30 20 BHED CC(C)(CCC#N)CN1CCCc2ccccc21 179548738 WOJCDDSZSDRRIA-UHFFFAOYSA-N 242.366 3.769 30 20 BHED N#CCCCCNC1(c2ccccc2)CCCC1 183544076 PZMZIMIZHXVDDR-UHFFFAOYSA-N 242.366 3.739 30 20 BHED C=CCSCCN[C@@H](C)CCc1ccccc1 226319040 SXJBHRJROMQRMB-AWEZNQCLSA-N 249.423 3.517 30 20 BHED C[C@H]1CC(C)(C)C[C@H]1Nc1cccc(C#N)c1 235590376 GZNTVFWPPIHMLR-SMDDNHRTSA-N 228.339 3.795 30 20 BHED C[C@H]1C[C@@H](NCCCCC#N)c2ccccc21 289213016 KOSABCXRRONUJN-SWLSCSKDSA-N 228.339 3.518 30 20 BHED C=CC[C@H](CC)NCc1ccc(CC)s1 308932075 JTDPJGQDMBRALS-NSHDSACASA-N 223.385 3.755 30 20 BHED C[C@@H](c1ccccc1)N(CC1(C#N)CC1)C1CC1 352835608 YKMNGIFGBKXYKJ-ZDUSSCGKSA-N 240.350 3.516 30 20 BHED C=C(C)CN[C@]1(c2ccc(Cl)cc2)C[C@H]1C 381464355 KSNOYNBLOAXSBT-BXUZGUMPSA-N 235.758 3.741 30 20 BHED CC[C@H]1CCC[C@@H]1CNCC(C)(C)CCC#N 449432301 GSUWKZNVNDKDOQ-UONOGXRCSA-N 236.403 3.732 30 20 BHED CC#CCCSC/C=C\c1ccccc1 462373351 OIGDAWWGNTUKGK-FLIBITNWSA-N 216.349 3.846 30 20 BHED CC#CCCCC(=O)Nc1ccc(C)c(Cl)c1 464553461 CROSHMLARNYNGL-UHFFFAOYSA-N 249.741 3.781 30 20 BHED C=CCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 511838740 QIZQFOMUJQSKJR-BBWFWOEESA-N 241.378 3.831 30 20 BHED C=CCN(CCc1ccccc1)CC1(C)CC1 514996639 LCDZQRLGELXPHX-UHFFFAOYSA-N 229.367 3.517 30 20 BHED C[C@H]1CCC[C@@H](CCN2CCC(CC#N)CC2)C1 543810167 FSCWRRDWPHLHED-HOCLYGCPSA-N 248.414 3.828 30 20 BHED C=CCCC(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C 580913726 SWQQKSFPVTYYQX-STQMWFEESA-N 237.387 3.626 30 20 BHED C=CCCCOc1ccc(F)cc1Cl 605076163 NOKBKXSNXDFMFC-UHFFFAOYSA-N 214.667 3.824 30 20 BHED C[C@@H](CCC#N)CN1C[C@H](C)c2ccccc21 618888299 VNSCKWDEUFKEML-STQMWFEESA-N 228.339 3.550 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H]1CCCC[C@H]1C 620864831 QBASQZHMSVZVDA-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C=C(C)CCN1CC[C@H](c2ccccc2F)C1 681404033 XSQJLMQIPPSGOP-ZDUSSCGKSA-N 233.330 3.581 30 20 BHED CCCCCCCC(=O)N1C[C@@H](C)C[C@@H]1C 740839593 MHNVBYWRGULCAN-STQMWFEESA-N 225.376 3.604 30 20 BHED Cc1cc(F)ccc1C=NNc1ccccc1 750912237 MPSURENXULGMPY-UHFFFAOYSA-N 228.270 3.580 30 20 BHED C#CC[C@H](/N=C\c1ccccc1O)c1ccccc1 756845117 BGKBRLJCJHGRBQ-CQUHBBLWSA-N 249.313 3.576 30 20 BHED CCCNN=C1CC(C)(C)CC(C)(C)C1 779772454 IAHBKLRLERDISY-UHFFFAOYSA-N 210.365 3.578 30 20 BHED CC(C)C1CCC(=NOC/C=C\Cl)CC1 811669028 AYOAKQOTFUHLAI-UBOJIEIXSA-N 229.751 3.958 30 20 BHED CC[C@H]1C[C@@H](C)CCC1=NOCCOC(C)C 812240179 JMVPZXKYNCCVLE-STQMWFEESA-N 241.375 3.630 30 20 BHED CC(C)c1cnc(C=NOC2CCCC2)s1 814893984 HBJYKJIHKYODTH-UHFFFAOYSA-N 238.356 3.560 30 20 BHED CC[C@H](C=NOCCOC(C)C)c1ccccc1 814936825 LDTWYTUCYCFADN-CQSZACIVSA-N 249.354 3.608 30 20 BHED CC1(C#N)CCC(=NOC2CCCCC2)CC1 834973055 SQHFRCNLUOECKG-UHFFFAOYSA-N 234.343 3.796 30 20 BHED CC(C)(C)C/N=C\c1cc(Cl)ccc1O 920175007 SKQWQUGXFFEASQ-AUWJEWJLSA-N 225.719 3.511 30 20 BHED CCC1CCN(CCC2(C#N)CCCCC2)CC1 1307458788 LEOJXBNNETUNCS-UHFFFAOYSA-N 248.414 3.973 30 20 BHED C=CC[C@@H]1CCCN(Cc2ncoc2C(C)C)C1 1328424981 RECZGTRVKWGCBZ-CYBMUJFWSA-N 248.370 3.586 30 20 BHED CCC(CC)CC(=O)O[C@H](CC#N)c1ccco1 1520424680 BTRWHNTYVCQIPV-CYBMUJFWSA-N 249.310 3.604 30 20 BHED N#CCCCCSc1ccc(F)cc1 42227263 IIYVGMOICLXMQG-UHFFFAOYSA-N 209.289 3.612 30 20 BHED C=C(C)CSc1nc(C)c(C)n1CCCC 48422119 JOYUHDLGZGXBQO-UHFFFAOYSA-N 238.400 3.968 30 20 BHED C[C@@H](CC#N)N[C@H](C)c1cccc2ccccc12 68608479 UESSCZMNMFUGRX-QWHCGFSZSA-N 238.334 3.793 30 20 BHED C=CCCNc1ccc(C(C)(C)C)cc1 70591270 GRECPMRVPKCQKX-UHFFFAOYSA-N 203.329 3.972 30 20 BHED CC1(C)CC(NCC2(CC#N)CC2)CC(C)(C)C1 125545385 KPDUVSARBGCLEJ-UHFFFAOYSA-N 248.414 3.875 30 20 BHED CC1(C)CC[C@@H](Nc2cccc(OCC#N)c2)C1 129390309 MQVDGMBANIUSLM-CYBMUJFWSA-N 244.338 3.580 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccccc1C 132207301 OYOCKUCISGYFQW-STQMWFEESA-N 203.329 3.610 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc2c(c1)CCCC2 132687405 WLKOSNWOPDRRIL-CHWSQXEVSA-N 229.367 3.791 30 20 BHED C[C@@H]1CCCC[C@H]1CNCc1ccc(C#N)s1 135686853 ITVZLKZGWNWLJR-NEPJUHHUSA-N 248.395 3.536 30 20 BHED C=C(C)CNCc1ccc(Cl)c(Cl)c1 153395540 SSHVWRYHDXXNCY-UHFFFAOYSA-N 230.138 3.659 30 20 BHED C=CCCCOc1cccc2cccnc12 156894003 PXSRMUUPULSBLC-UHFFFAOYSA-N 213.280 3.580 30 20 BHED C=CCCCn1ccc(-c2ccsc2)n1 156978308 YVPXIJKDORTGOS-UHFFFAOYSA-N 218.325 3.578 30 20 BHED C=C(Cl)CN[C@@H](C)c1ccc(C)cc1C 161727564 GRNOCSDYCRZZJW-LBPRGKRZSA-N 223.747 3.707 30 20 BHED Cc1cc(C#N)ccc1CN[C@@H]1CCCC[C@@H]1C 165178435 XVXRUPHKBQOMDR-BLLLJJGKSA-N 242.366 3.535 30 20 BHED CC#CCCCC(=O)N(C(C)C)C1CCCCC1 185588367 OJUVEIGSKZDHOD-UHFFFAOYSA-N 249.398 3.750 30 20 BHED Cc1cc(F)cc(N[C@@H]2CCC[C@H](C#N)C2)c1 185737359 XLFUHHXGJLIUEJ-WCQYABFASA-N 232.302 3.628 30 20 BHED N#C[C@H]1CCC[C@@H](NCCC2=CCCCC2)C1 185763387 QJENTWRLYOUGMI-LSDHHAIUSA-N 232.371 3.549 30 20 BHED C#C[C@H](CCC)N[C@H](CC)c1ccc(F)cc1 233358577 WGIVIGWYNWUJLV-HUUCEWRRSA-N 233.330 3.668 30 20 BHED CC[C@@H](C)CSc1nccc(C#N)c1Cl 233865046 WPKUEWJYNJITGS-MRVPVSSYSA-N 240.759 3.745 30 20 BHED Cc1ccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1 248831178 MMYBJWGHQBTFLG-LZWOXQAQSA-N 242.366 3.728 30 20 BHED C=C(C)CCSc1ccc(NC(C)=O)cc1 274724071 JCBCACRUIFBFKF-UHFFFAOYSA-N 235.352 3.703 30 20 BHED C=C(C)CCSc1nccn1C(C)C 274758468 QINGQDRZHRMUHV-UHFFFAOYSA-N 210.346 3.522 30 20 BHED C=CC[C@H](CC)N[C@@H]1CC[C@@H](C)[C@H](C)C1 309142825 HQBKHEXXVQTLQV-YIYPIFLZSA-N 209.377 3.755 30 20 BHED Cc1ccc(OCC2(C#N)CCC2)c(Cl)c1 418892581 YUHYSFPBWUYYOS-UHFFFAOYSA-N 235.714 3.721 30 20 BHED C[C@@H]1CCCC[C@@H]1CCN[C@@H]1CCC[C@@H](C#N)C1 447527156 FIUGYJRVPVEODS-KLHDSHLOSA-N 248.414 3.875 30 20 BHED N#CCCCCSCCCC1CCOCC1 447929460 UJGPRCWGLSBQGC-UHFFFAOYSA-N 241.400 3.620 30 20 BHED CCCC1(CNC2CCC(C)(C#N)CC2)CC1 449181831 BKKRAFZPGPQTKN-UHFFFAOYSA-N 234.387 3.629 30 20 BHED C=CCCC(=O)Nc1ccccc1C(C)(F)F 452687796 WDGJGUDGMRXIIB-UHFFFAOYSA-N 239.265 3.703 30 20 BHED N#Cc1ccnc(SCC2CCCCC2)c1 476693233 HHCKKFGCVCJGQV-UHFFFAOYSA-N 232.352 3.626 30 20 BHED C=CCCC1(C(=O)N2C[C@@H](C)CCC[C@@H]2C)CC1 483657512 SBPOKUZHDBQVHE-KBPBESRZSA-N 249.398 3.770 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H]1CC12CCCCC2 539432512 ADBHIDUTOKGEJX-KBPBESRZSA-N 249.398 3.818 30 20 BHED C=CCCCCNC(=O)c1cc(C(C)C)oc1C 552453839 DZKFWFGAPSCLNN-UHFFFAOYSA-N 249.354 3.798 30 20 BHED C=C[C@@](C)(CC)c1nc(CC2CCCC2)no1 569993131 ANWHUMXKHHALEN-AWEZNQCLSA-N 234.343 3.656 30 20 BHED C=CCCN1C[C@H](c2ccccc2C)C[C@@H]1C 606898128 NUGUFQAYAGASIN-LSDHHAIUSA-N 229.367 3.749 30 20 BHED C=CC[C@H]1CCCC[C@@H]1NCCc1ccco1 657818307 BJQGYCXAHDYJKJ-ZFWWWQNUSA-N 233.355 3.547 30 20 BHED C=CCCNC(=O)Nc1ccc(C(C)C)cc1 665146621 XWQIAWCRYTZVGI-UHFFFAOYSA-N 232.327 3.508 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)C[C@@H]1CCOC1 678698657 ZBKIPRXRFLKKSL-ZNMIVQPWSA-N 239.403 3.526 30 20 BHED C=C(Cl)CN(CCC)Cc1ccccc1F 746654332 ZKPXCUSAGUVOKV-UHFFFAOYSA-N 241.737 3.790 30 20 BHED C#CCCN(C)C1c2ccccc2-c2ccccc21 760859262 GJCBPACUWZGUMU-UHFFFAOYSA-N 247.341 3.712 30 20 BHED C#CCCCN1CCC[C@@H](c2ccccc2)CC1 766896639 WDKLOEDIJQQWBY-QGZVFWFLSA-N 241.378 3.670 30 20 BHED C=CCN(C(=O)[C@H](CC)CCCCC)C1CC1 775802510 UZHOIJRONTZESZ-CYBMUJFWSA-N 237.387 3.770 30 20 BHED CCCC(CC)=NNc1ccc(F)cc1 776183422 MWDHHFQYKMGVTM-UHFFFAOYSA-N 208.280 3.804 30 20 BHED CC(=NNc1cccc(C)c1)C1CCSCC1 777417896 CWTDPNGQTWIPPM-UHFFFAOYSA-N 248.395 3.926 30 20 BHED CC(=NOC1CCC1)[C@@H](C)c1ccccc1 812235455 VQJIDLGWRCVZLH-LLVKDONJSA-N 217.312 3.735 30 20 BHED COc1ccc(NN=C2CC[C@H]2C2CCC2)cc1 814885162 PKKYYYBXWAQEDF-AWEZNQCLSA-N 244.338 3.673 30 20 BHED Cc1sccc1C=NOC1CCCCC1 814910559 WUPMOEGXJVRWDM-UHFFFAOYSA-N 223.341 3.740 30 20 BHED Cc1ccc(C)c([C@@H](C)NCC2(C#N)CCC2)c1 828095486 PMPHDNNAJVCDRI-CQSZACIVSA-N 242.366 3.648 30 20 BHED CC[C@H](NCC1(C#N)CCC1)C1CCCCC1 828721547 CLQFVGYZDRHTHH-AWEZNQCLSA-N 234.387 3.629 30 20 BHED C=C[C@H]1CCCCN1C[C@]1(C)CC1(Cl)Cl 829312562 CLTXCMBJGQNGLT-QWRGUYRKSA-N 248.197 3.611 30 20 BHED Cc1ccc(SCCCSCC#N)s1 830052449 LVAVMDPHLBOTHL-UHFFFAOYSA-N 243.422 3.796 30 20 BHED C[C@@H]1CC/C(=C\C(=O)O[C@H](C)CC(C)(C)C#N)C1 851209074 ICYZHYRQZIYDSI-CDRMENOJSA-N 249.354 3.604 30 20 BHED C#CC[C@H](NCCC1CCC1)c1ccccc1 851903769 ZOIYQOHRZGVRHG-INIZCTEOSA-N 227.351 3.531 30 20 BHED C[C@H]1CCCCC1=NNc1ccnc(Cl)c1 853394116 HGVROFSJTMYQGB-VIFPVBQESA-N 237.734 3.713 30 20 BHED C=CC(C)(C)CC(=O)Nc1ccc(F)cc1F 887608786 PKPNBXVGIUSTJH-UHFFFAOYSA-N 239.265 3.506 30 20 BHED C=C/C=C/CCNc1ccccc1O[C@H](C)C#N 902029669 IKWLMOPICQTSSL-MUBLQREKSA-N 242.322 3.522 30 20 BHED CC[C@H](Nc1ccc(C#N)cn1)c1ccccc1 50197630 VMONCKWAWADDKO-AWEZNQCLSA-N 237.306 3.516 30 20 BHED C=C(C)CN(CC)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 55293981 QXZFEJIGWREXRA-ZIAGYGMSSA-N 249.398 3.649 30 20 BHED N#Cc1ccc(Cl)cc1N1CCCCCC1 62789804 CRPNUEUEMBIBEE-UHFFFAOYSA-N 234.730 3.592 30 20 BHED C=C(C)CN1CC[C@@H](C)Sc2ccccc21 71805707 XVBBHCYHMHVGJV-GFCCVEGCSA-N 233.380 3.953 30 20 BHED C[C@@H](c1ccccc1Cl)N(CCC#N)C1CC1 101545004 FQAMGFDMYNVENP-NSHDSACASA-N 248.757 3.779 30 20 BHED Cc1ccc(NCc2ccc(C#N)s2)c(C)c1 125108974 ICFPRVFKVGTPJU-UHFFFAOYSA-N 242.347 3.849 30 20 BHED Cc1ccc([C@H]2CCCCCN2CCCC#N)o1 158630687 XTKKMDSZNBYUNO-CQSZACIVSA-N 246.354 3.809 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C)cc1F 189943632 GIPUCZZKCTVBST-AWEZNQCLSA-N 235.302 3.675 30 20 BHED CCCCCCCCS(=O)(=O)[C@H](C)C(C)C 191050154 FEVSSHWVYGFHIJ-CYBMUJFWSA-N 248.432 3.806 30 20 BHED C[C@@H]1CC[C@H](NCC(C)(C)CCC#N)C[C@H]1C 248562721 BDWCVTRGXCVFPV-MCIONIFRSA-N 236.403 3.731 30 20 BHED C[C@@H]1CCC[C@H](COc2ccc(C#N)cc2F)C1 305923870 ILKNMDPXONFRFQ-YPMHNXCESA-N 247.313 3.902 30 20 BHED C=CCCC[C@H](C)N[C@H](C)CCC1CC1 308896900 ZUIKNQOQVMVYKF-QWHCGFSZSA-N 209.377 3.900 30 20 BHED C=CCCCCC[C@H](C)NC[C@@H]1CCCS1 309582148 QQTYLACYFQPTAZ-KBPBESRZSA-N 241.444 3.997 30 20 BHED C[C@@H]1C[C@H](C(C)(C)C)CCN1CCCCC#N 347623348 XRRPIIARVMAIRS-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED C=C(C)CCN[C@H]1CCCc2cc(OC)ccc21 386847817 YVPQVRSQIOMCFG-INIZCTEOSA-N 245.366 3.628 30 20 BHED CCCC[C@H](N[C@H](C)CCC#N)C1CCC1 411515154 HLWDJZZXSJGVIP-OCCSQVGLSA-N 222.376 3.627 30 20 BHED C=CCCCCN[C@H](C)c1ccncc1Cl 421845471 XIEIQYGPEBVJSL-LLVKDONJSA-N 238.762 3.742 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@]1(C)CC=CCC1 450652626 UVOYBUFJDMDZRH-UKRRQHHQSA-N 235.371 3.594 30 20 BHED C=CC[C@H](C)[C@@H](C)Nc1cnn(CC(C)C)c1C 537474191 BHUVYHONTSDRJO-QWHCGFSZSA-N 249.402 3.860 30 20 BHED C=CCCC[C@H](C)NC(=O)C(C)(C)CC(C)C 538335607 LXWGKXHAEDNOFM-ZDUSSCGKSA-N 239.403 3.920 30 20 BHED CCN(C[C@@H](C)C#N)CC(CC)(CC)CC 542019775 HKCCTHRKDLYDMK-ZDUSSCGKSA-N 224.392 3.684 30 20 BHED C=CCOc1ccc(OCCCCCF)cc1 550991946 FNKDYOSTKWQACS-UHFFFAOYSA-N 238.302 3.770 30 20 BHED C=CCCNc1ccccc1N1C[C@H]2CC[C@H]1C2 567657168 AISHGEHSSLTTNG-KBPBESRZSA-N 242.366 3.663 30 20 BHED CC(C)C[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 589343718 SEOPLQYOQIEOPH-MLGOLLRUSA-N 242.366 3.570 30 20 BHED Cc1ccc2c(c1)[C@@H](NC[C@H](C)CCC#N)CC2 602539722 JCSUWMHQNLTDJG-CJNGLKHVSA-N 242.366 3.512 30 20 BHED C=CCOc1cccc(CNCCCC(C)C)c1 642102677 WSXSUPVPNFFYDV-UHFFFAOYSA-N 247.382 3.777 30 20 BHED C=CCC[C@@H](CC)N[C@@H](C)c1cnccc1C 678425864 DABDIRVRWZIDPD-UONOGXRCSA-N 232.371 3.785 30 20 BHED N#CCC[C@H](C#N)CNc1ccc2ccccc2c1 732917720 FVBQOGOISZXOCR-CYBMUJFWSA-N 249.317 3.695 30 20 BHED C=C(Cl)CN1C[C@H](c2ccccc2)C[C@H]1C 734637260 DHUQSTUZTVNLEQ-TZMCWYRMSA-N 235.758 3.617 30 20 BHED CCCC[C@H]1CCCC1=NOCc1cccnc1 746588492 PBAAMAXNMLMIQD-AWEZNQCLSA-N 246.354 3.945 30 20 BHED CC(C)c1ccc(C=NO[C@@H]2CCCCO2)cc1 755816969 ILBUNDURVCJFCQ-OAHLLOKOSA-N 247.338 3.687 30 20 BHED CCC[C@H](C)C(CC)=NO[C@H]1CCCCO1 755821163 BQLWFKWPPHILDH-AAEUAGOBSA-N 227.348 3.732 30 20 BHED CCCCCCCC(=O)Nc1c(C)cccc1O 771484927 KXVUUBDPXVKAOC-UHFFFAOYSA-N 249.354 4.000 30 20 BHED C=CCCCCC[C@H](C)NC[C@](C)(O)C(C)C 793542589 ROZODLSFINFGAZ-GJZGRUSLSA-N 241.419 3.508 30 20 BHED C=CCCCCCCCNC(=O)C(C)(C)C 811590250 VOTPDEIEWIAGLY-UHFFFAOYSA-N 225.376 3.675 30 20 BHED C=CCC(C)(C)C(=O)N[C@H](C)CCCCC 814101306 RKDJKCAPFLJIBO-GFCCVEGCSA-N 225.376 3.674 30 20 BHED C=CCCC(CCC)=NNC1CCCC1 814833032 UYBQFKIRWCZUIO-UHFFFAOYSA-N 208.349 3.641 30 20 BHED CC1(C)CCC1=NNc1ccc(F)c(F)c1F 814945119 LYLAPJCHVPKZOL-UHFFFAOYSA-N 242.244 3.692 30 20 BHED C=CCC(F)(F)C(=O)NCC(CC)(CC)CC 815791172 VJWJPMQQTYWWPQ-UHFFFAOYSA-N 247.329 3.530 30 20 BHED C=C(C)CCNC(=S)Nc1ccc(C)c(C)c1 840792610 MJNXXHYZXIRGEA-UHFFFAOYSA-N 248.395 3.556 30 20 BHED CC(=NOCc1ccc(F)cc1)c1ccc(C)o1 854314994 OKBYXYHVXASZFB-UHFFFAOYSA-N 247.269 3.668 30 20 BHED C=C1CCC(C(=O)OCCCC(C)(C)C#N)CC1 885652075 NOSVPWASNALAMA-UHFFFAOYSA-N 249.354 3.606 30 20 BHED CCC[C@H](CC)SCc1cc(C#N)ccn1 901550196 YUZMNMIUZLRJDS-ZDUSSCGKSA-N 234.368 3.765 30 20 BHED C=C(C)CN(Cc1ccc(N(C)C)cc1)C(C)C 917074948 MKJUUJYTVAFSPN-UHFFFAOYSA-N 246.398 3.539 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1ccc(OC)cc1C 931643700 KKTFZNFMDZBGCO-LBPRGKRZSA-N 247.338 3.544 30 20 BHED C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)CC 1337140940 DTDXKOWSVKWNLB-UONOGXRCSA-N 237.387 3.770 30 20 BHED CCC(C#N)(CC)C(=O)O[C@H](C)CC(C)(C)C 1344514154 DARRTXFLSFVCDZ-LLVKDONJSA-N 239.359 3.684 30 20 BHED C=C(Cl)CN(C)[C@@H]1CCC[C@@H]1C(C)(C)C 1654774263 CCPWTACOZUEPGQ-NWDGAFQWSA-N 229.795 3.886 30 20 BHED CC1CCC(Nc2cccc(C#N)c2)CC1 19921947 QUIBIBYMILDPQC-UHFFFAOYSA-N 214.312 3.549 30 20 BHED CCCCNc1ccc(C#N)c(C(F)(F)F)c1 34960770 FXLARKLHENPQPC-UHFFFAOYSA-N 242.244 3.789 30 20 BHED CC[C@H](C)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 36991784 VDDBFLVPDINBOB-XQQFMLRXSA-N 230.355 3.643 30 20 BHED C=C(Br)COc1ccccc1Cl 38977610 HCMYIKLCAMUVQY-UHFFFAOYSA-N 247.519 3.627 30 20 BHED C#CCCCCN[C@@H](C)c1ccc(C)s1 90398638 NHXGKURVMRQDGU-LBPRGKRZSA-N 221.369 3.511 30 20 BHED CC[C@@H]1CC[C@@H](C)N1CCCC(C)(C)C#N 124568943 COONTTXEVSRKBM-CHWSQXEVSA-N 222.376 3.579 30 20 BHED C#CCCCCN[C@H](C)c1ccc(Cl)cc1 130750814 RVEPBLBHGHRHAK-GFCCVEGCSA-N 235.758 3.794 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1ccc(C)o1 133105769 IFYYQYIAWGVRGL-YPMHNXCESA-N 221.344 3.983 30 20 BHED C=CCC(CC=C)C(=O)NC(CC)(CC)CC 150861710 AXZRJJCTAKJSNX-UHFFFAOYSA-N 237.387 3.840 30 20 BHED N#Cc1ccc(CNc2cccc3ccccc23)o1 157462318 WYPOCTCNDFJXHP-UHFFFAOYSA-N 248.285 3.917 30 20 BHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCC(C)(C)C#N 174866550 CYILJEQVXVKZEV-ILXRZTDVSA-N 248.414 3.969 30 20 BHED CC[C@@H](CN(CC)CCCC#N)c1ccccc1 186623291 HEQDQUFLSDJBQW-HNNXBMFYSA-N 244.382 3.806 30 20 BHED CC(C)(C#N)CCOc1cc(F)ccc1Cl 282180048 GDCWVSUEOTXRDM-UHFFFAOYSA-N 241.693 3.798 30 20 BHED C[C@H](CCC(C)(C)C)Nc1cccc(C#N)n1 301348897 UWOIEUHTRLUIEL-LLVKDONJSA-N 231.343 3.580 30 20 BHED C=CC[C@@H](CC)NCc1ccc(CC)s1 308932070 JTDPJGQDMBRALS-LLVKDONJSA-N 223.385 3.755 30 20 BHED C=C[C@H](C)N[C@@H](C)[C@H](C)c1ccc(Cl)cc1 309500702 UVEGNZJZNUYOID-SRVKXCTJSA-N 237.774 3.996 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1nc(C)sc1C 309688752 IJETUCMCAFAGSJ-BXKDBHETSA-N 238.400 3.765 30 20 BHED C=CCCC1(c2nc([C@@H](C)C3CC3)no2)CC1 346758117 FIGAVXSWOSFBFX-JTQLQIEISA-N 232.327 3.581 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)CC1 361689366 KIOCWKXNVXCIAT-BFHYXJOUSA-N 249.398 3.674 30 20 BHED C=CC(C)(C)CN[C@@H]1CCC[C@H](C(F)(F)F)C1 384930475 HIQYHOKMDPXOBZ-WDEREUQCSA-N 249.320 3.909 30 20 BHED C=CCC[C@H](C)NC[C@@H](C)CC(F)(F)F 396913244 JLJIJLGLHCPDPM-UWVGGRQHSA-N 223.282 3.519 30 20 BHED CC[C@H]1CCCN1CCC1(C#N)CCCCC1 411212711 AZEOFEXXTFFPQU-AWEZNQCLSA-N 234.387 3.725 30 20 BHED N#C[C@@H]1CC[C@@H](NCCCCC2CCCC2)C1 442769737 QOORJHBTZGSCBC-HUUCEWRRSA-N 234.387 3.629 30 20 BHED CC[C@H]1CCC[C@@H]1CNCc1ccc(C#N)s1 449437302 YTMQXXHFHFDKDW-NWDGAFQWSA-N 248.395 3.536 30 20 BHED C=CC[C@H](C)[C@H](C)NC[C@H]1CCCC1(F)F 449493042 KMLWARIMXOFMEG-SDDRHHMPSA-N 231.330 3.612 30 20 BHED C=CCC1(C(=O)N2CC[C@@H](C)[C@H](C)C2)CCCC1 450326686 ZBVWKKJEMCSADW-ZIAGYGMSSA-N 249.398 3.627 30 20 BHED C=CC(C)(C)C(=O)Nc1cccc(OC(C)C)c1 452678864 UUPDTUSUAFJBKE-UHFFFAOYSA-N 247.338 3.625 30 20 BHED C=CCN[C@@H]1CCCC[C@@H]1Cc1ccccc1 481175579 WRUMZVCKSINFAI-HZPDHXFCSA-N 229.367 3.564 30 20 BHED C=CCCCOc1c(F)cccc1Cl 507337451 CKDORPIIXYBUAC-UHFFFAOYSA-N 214.667 3.824 30 20 BHED C=CCN(CC=C)C(=O)[C@@H](C)CCC(C)(C)C 544401620 SGCNTRMYGPSXRI-ZDUSSCGKSA-N 237.387 3.649 30 20 BHED C=CCCCCN1CC[C@H](C(F)(F)F)[C@@H]1C 567441319 GJVPNDYDSZKFGY-QWRGUYRKSA-N 235.293 3.615 30 20 BHED C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CCCC 568811482 DJQMNTHPTMEPTD-JSGCOSHPSA-N 225.376 3.626 30 20 BHED N#Cc1ccc(SCCCCCF)c(F)c1 568892430 HXJVMYYNZIMAAA-UHFFFAOYSA-N 241.306 3.929 30 20 BHED CC[C@@H](COc1cccc(C#N)c1)CC(F)F 594880907 HHAGDUYUUIQDPG-SNVBAGLBSA-N 239.265 3.618 30 20 BHED CC[C@H](C)CCN[C@@H](C)c1ccc(C#N)c(F)c1 595072896 KCSAIXRHFMAHAX-RYUDHWBXSA-N 248.345 3.784 30 20 BHED C=CCCCNC1(c2cccc(OC)c2)CCC1 662109269 JVLNDCLJLISPCN-UHFFFAOYSA-N 245.366 3.630 30 20 BHED C#CCN(CC)C1c2ccccc2-c2ccccc21 746458003 ZGSKREKGSLWCKG-UHFFFAOYSA-N 247.341 3.712 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cc(C)c(OC)cc1C 753678101 HDSAXANBIVWDLF-KGLIPLIRSA-N 247.382 3.927 30 20 BHED CCCNN=C(C)c1ccc(SCC)cc1 755652349 WVAYVEIQEIJDHD-UHFFFAOYSA-N 236.384 3.522 30 20 BHED Cc1ccc(F)c(NN=CCC(C)(C)C)c1 755773235 UBECSDKMYYEFMM-UHFFFAOYSA-N 222.307 3.968 30 20 BHED COc1ccc(NN=C[C@H]2CCC[C@H](C)C2)cc1 768366157 CBPBLXSULPRZRP-STQMWFEESA-N 246.354 3.919 30 20 BHED Oc1ccccc1/C=N/CCCc1cccs1 769548123 FHMWWDVGPAECJU-RVDMUPIBSA-N 245.347 3.505 30 20 BHED c1ccc(CCCCON=C2CCC2)cc1 774760797 GGXZWRMKZAGVKY-UHFFFAOYSA-N 217.312 3.566 30 20 BHED CC[C@@H]1CCCC(=NNc2ncccc2C)C1 790192720 BUFHPVWENKCHOC-GFCCVEGCSA-N 231.343 3.758 30 20 BHED C[C@H](NN=Cc1ccccc1C1CC1)C(C)(C)C 793118047 ZTJXPAXKHIBXKZ-LBPRGKRZSA-N 244.382 3.922 30 20 BHED CSCCON=C1CCC[C@@H]1c1ccccc1 794572808 IQEDBKBDPCALKO-CYBMUJFWSA-N 249.379 3.690 30 20 BHED C#CCCCN1CC(C)(C)[C@@H]1c1cccs1 805839525 QRHVOIJIBPFIFV-ZDUSSCGKSA-N 233.380 3.544 30 20 BHED C=CCCCCCCCNC(=O)/C=C/SC 813256703 JEWUEOARBVMQRQ-ZRDIBKRKSA-N 241.400 3.506 30 20 BHED CC(=NOCCC1CC1)c1sccc1C 814246843 FOSPXKAFXPRRNM-UHFFFAOYSA-N 223.341 3.597 30 20 BHED CC[C@H](C=NOCC(C)C)c1ccccc1 814883833 CPHDWOUNMNHJAK-CYBMUJFWSA-N 219.328 3.839 30 20 BHED CC(C)ON=C1CCC[C@@H](c2cccnc2)C1 835003661 XCQQCWNJRCDVHY-GFCCVEGCSA-N 232.327 3.520 30 20 BHED C[C@@H]1CCCCCC1=NNc1cccc(F)n1 844597166 SLGAVYDQTVVFLC-SNVBAGLBSA-N 235.306 3.589 30 20 BHED CCCCCCCCC(=O)N1CC[C@H]2C[C@H]2C1 856059341 QODYIEHUAHIGCH-KBPBESRZSA-N 237.387 3.605 30 20 BHED CCCCNN=Cc1ccc(-c2ccccc2)o1 917547838 DGZUEXUDZVZXBL-UHFFFAOYSA-N 242.322 3.670 30 20 BHED Cc1ccc([C@@H](C)/N=C\c2ccccc2O)s1 920175261 ULTDNASEYGQTRO-PDICVPPASA-N 245.347 3.942 30 20 BHED Cc1cc(NCC(C(C)C)C(C)C)ncc1C#N 1307099442 XPXGVPRHKKCOSB-UHFFFAOYSA-N 245.370 3.602 30 20 BHED C=CCC1(NC(=O)CC(C)(C)C=C)CCCC1 1333627989 BPKVSXFTJUICSM-UHFFFAOYSA-N 235.371 3.594 30 20 BHED C=CCC[C@H](C)OC(=O)/C=C(/C)c1ccco1 1347230863 JEBOAHIRDFGJDM-WEHUKYGOSA-N 234.295 3.581 30 20 BHED CCC[C@H]1[C@@H](C)CCCN1CC1(CC#N)CC1 1644842549 JIPZUDDPPVGGMT-KBPBESRZSA-N 234.387 3.581 30 20 BHED C[C@@H]1CC[C@@H](C)[C@H](Nc2ccc(CC#N)cc2)C1 85097838 MVFFZSVOFDKUSK-XJKCOSOUSA-N 242.366 3.989 30 20 BHED C=CC[C@@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] 122709319 RRJUGIYULOHGHG-MRVPVSSYSA-N 240.690 3.625 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCc2c(O)cccc21 130362337 GDTUUWRRARXCQI-YWPYICTPSA-N 245.366 3.570 30 20 BHED C=CC[C@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1 163340562 VGPUCMAPVCLRCU-SMDDNHRTSA-N 248.326 3.600 30 20 BHED C=CCCCSCc1nc(C)c(C)s1 176406612 VPVKJYQPFXBAHN-UHFFFAOYSA-N 227.398 3.959 30 20 BHED C=CCCC[C@H](C)NC(=O)c1ccc(C)s1 182628391 MCHIDQMTISNYNS-JTQLQIEISA-N 237.368 3.531 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc(OCC)cc1 189754071 MGCWAEPKDMJKIP-OAHLLOKOSA-N 247.338 3.626 30 20 BHED C#CCCCCNCc1cc(C)c(C)cc1C 229743073 FFDVSJSGPMFRMJ-UHFFFAOYSA-N 229.367 3.505 30 20 BHED C=CCCCSCc1csc(C)n1 265454130 XHZRCTWHZWMIFX-UHFFFAOYSA-N 213.371 3.651 30 20 BHED C=CCCC(=O)N(C(C)C)[C@@H](C)c1ccccc1 297966296 VNFIFLHWIXKKGO-AWEZNQCLSA-N 245.366 3.951 30 20 BHED C=C(C)CNc1ccc(Cl)cc1OC(F)F 309608972 MCIYLJJJLXOGCS-UHFFFAOYSA-N 247.672 3.929 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1cc(C)c(C)o1 310021655 NPSCFORUDMCJAF-WCQYABFASA-N 221.344 3.902 30 20 BHED C=CCCCCCCNCC1(OC)CCCC1 319408191 GNILMIHLSROQHA-UHFFFAOYSA-N 239.403 3.672 30 20 BHED CSCCCSc1ccc(C#N)c(C)c1 320315405 GIOJMLOTDSWEOB-UHFFFAOYSA-N 237.393 3.712 30 20 BHED C=CCC(C)(C)CNCc1ccccc1F 381868571 KBTGBOLKOHPMSS-UHFFFAOYSA-N 221.319 3.518 30 20 BHED C=C(CC)CN[C@@H](c1ccccc1)C(F)F 390774719 ZLPLJTKTZXHPQA-LBPRGKRZSA-N 225.282 3.549 30 20 BHED C=CCOCCS[C@@H](C)c1ccc(C#N)cc1 419421573 LOTIECFVDUGVGT-LBPRGKRZSA-N 247.363 3.555 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H](C)CC(C)(C)C 424886571 FAWQCAPVYVEKKA-NSHDSACASA-N 225.376 3.530 30 20 BHED CC(C)(C)[C@@H]1CN(CCCC#N)c2ccccc21 444773538 DWKCWLBHRJJJCV-CQSZACIVSA-N 242.366 3.940 30 20 BHED C=C(CC)CN[C@H](C)C1CCC(F)(F)CC1 449735119 PKCQMAIADFWBLT-LLVKDONJSA-N 231.330 3.756 30 20 BHED C=C(C)CCNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 452721275 ZPBZVMVOQXOOBY-RBSFLKMASA-N 249.398 3.675 30 20 BHED C=C(C)CCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C 457842322 WRZWSVOTUSSXRB-WFASDCNBSA-N 237.387 3.531 30 20 BHED C=C[C@](C)(CC)C(=O)NCC1CCC(C)CC1 468110135 MBDKBNIYXULWOL-SSDMNJCBSA-N 237.387 3.531 30 20 BHED C=CCCC[C@H](C)NC(=O)C1(CCC=C)CC1 476563370 QQTQBUCENMQKSQ-ZDUSSCGKSA-N 235.371 3.594 30 20 BHED CC(C)[C@H]1CCC[C@H](Nc2cnccc2C#N)C1 537655691 FEELAKVKLQFEFJ-JSGCOSHPSA-N 243.354 3.580 30 20 BHED Cc1ccsc1CCNc1ccc(C#N)cc1 538006963 NCFVVJFHLQPFHM-UHFFFAOYSA-N 242.347 3.583 30 20 BHED C=CCCCc1nc(CC2(C)CCCC2)no1 578578390 JEMBNPJEDHTQGT-UHFFFAOYSA-N 234.343 3.701 30 20 BHED C[C@H](CCC#N)N1CC[C@@H]1c1ccc(Cl)cc1 591015742 OCPHEVQIEAEJRW-BXUZGUMPSA-N 248.757 3.779 30 20 BHED C[C@@H](CCC#N)CN[C@@H]1CCCc2sccc21 602611377 NDRSYUAXEDMHHA-WCQYABFASA-N 248.395 3.655 30 20 BHED C=CCCCSc1ccc(COC)cc1 673891236 HGNAKDGNLOMGKU-UHFFFAOYSA-N 222.353 3.891 30 20 BHED C=C(C)CCN1C[C@@H](C(F)(F)F)CC[C@H]1C 681410372 QTHUJFWRHYDTCT-MNOVXSKESA-N 235.293 3.615 30 20 BHED Cc1cc(C(=O)/C=C\c2cccs2)ccc1O 728232801 WUOWNFUDEMOKEL-ALCCZGGFSA-N 244.315 3.658 30 20 BHED C=C(C)CN(CCCC)Cc1ccccc1 746102062 XVOOQJFAOFMSSO-UHFFFAOYSA-N 217.356 3.865 30 20 BHED C=CCCON=C(c1ccccc1)C(F)(F)F 751966620 ZOYGSDVIXHPOTM-UHFFFAOYSA-N 243.228 3.546 30 20 BHED C#CCCCN[C@@H](c1ccccc1)C1CCCC1 766916743 DELSVVUZYWMDAE-KRWDZBQOSA-N 241.378 3.921 30 20 BHED Cc1ccc2c(c1)CCN2CC(C)(C)CCC#N 780768633 BQLONSZTLCIKKD-UHFFFAOYSA-N 242.366 3.688 30 20 BHED CCC(CC)NN=C1CC[C@H](C)C[C@H]1C 783846134 JOYXZVCIAWOSDU-WDEREUQCSA-N 210.365 3.577 30 20 BHED C=C[C@@](C)(CC)C(=O)Oc1cccc(C)c1C 786610219 OGFLSKDEOJDCCU-HNNXBMFYSA-N 232.323 3.811 30 20 BHED Cc1cccnc1NN=C[C@@H]1CCC[C@H](C)C1 790187239 UCXROMSBNLPSDY-WCQYABFASA-N 231.343 3.614 30 20 BHED C=CCC(F)(F)C(=O)N[C@H](C)CCCCCC 814877768 ZCMBXPASXTZFQF-LLVKDONJSA-N 247.329 3.673 30 20 BHED C#CCC[C@H](C)OC(=O)[C@H](CC)c1ccccc1 839035383 XRAKIVAXIYSPPX-DZGCQCFKSA-N 244.334 3.525 30 20 BHED C=CCC(CC=C)C(=O)OC[C@@H](C)CC(F)F 842440867 XYVSIUYNFKIRHD-JTQLQIEISA-N 246.297 3.589 30 20 BHED N#C[C@H](c1ccccc1)N1CCCCCCC1 851713045 ADYZUROZFOCYSN-OAHLLOKOSA-N 228.339 3.517 30 20 BHED Fc1cc(F)cc(NN=C[C@H]2CC=CCC2)c1 920376101 BYTJARKACJHEEA-JTQLQIEISA-N 236.265 3.719 30 20 BHED C=C(CC)C(=O)N[C@H](c1ccc(F)cc1)C(C)C 1123734548 ODWOBPXWXKZEAO-AWEZNQCLSA-N 249.329 3.605 30 20 BHED C[C@H]1CCC[C@H]1NCCCCC1(C#N)CCC1 1333471049 KUQGPSJINQWDJF-UONOGXRCSA-N 234.387 3.629 30 20 BHED C=CCNN=Cc1ccc(-c2ccccc2)s1 1345377881 APLNTVMMTWVHKI-UHFFFAOYSA-N 242.347 3.525 30 20 BHED C=C[C@H]1CCCCN1Cc1coc(C(C)(C)C)n1 1351413608 HWQCCVXKHRAHDW-ZDUSSCGKSA-N 248.370 3.513 30 20 BHED C=C(Cl)CN1CCC(C)(CC(C)C)CC1 1559883801 BFWOUSSFZVDTRJ-UHFFFAOYSA-N 229.795 3.887 30 20 BHED N#Cc1cccc(SCCC2CCC2)c1 1613584069 HNLDFIDMUNHGII-UHFFFAOYSA-N 217.337 3.841 30 20 BHED CC(C)N(CC#Cc1ccc(Cl)cc1)C(C)C 33853840 UIWMMSMQYSULBY-UHFFFAOYSA-N 249.785 3.810 30 20 BHED C[C@@H]1CCCC[C@H]1Nc1ccc(CC#N)cc1 37071280 VPYVEJGSAKOPAR-IUODEOHRSA-N 228.339 3.743 30 20 BHED CCC(C)(C)C1CCC(NC[C@@H](C)C#N)CC1 48484547 WTRBTGVGZGUXPG-HSBZDZAISA-N 236.403 3.731 30 20 BHED C[C@@H]1CCC[C@H](Nc2cccc(F)c2C#N)[C@@H]1C 85089633 QNZLUYNZDGFJPC-GYSYKLTISA-N 246.329 3.934 30 20 BHED C=CCCC(=O)N[C@@H](c1ccccc1C)C(C)C 112191386 ZCCIUVZNSRRHHK-MRXNPFEDSA-N 245.366 3.775 30 20 BHED Cc1ccoc1C(=O)/C=C/c1ccsc1 119025451 FJNYBQKDORDYFJ-NSCUHMNNSA-N 218.277 3.546 30 20 BHED C=CCCCC(=O)Oc1cccc(Cl)c1 175588657 OGOUIMCMOWOYIW-UHFFFAOYSA-N 224.687 3.602 30 20 BHED C[C@@H]1CCCC[C@H]1Nc1cc(F)cc(C#N)c1 227605748 VFMLLRAJLKPQGG-QMTHXVAHSA-N 232.302 3.688 30 20 BHED C=CC[C@H](CC)NCc1cccc2cccnc12 281372521 NVXYTXVERSFHSE-HNNXBMFYSA-N 240.350 3.679 30 20 BHED C=C(Br)CSCCCCC 307729663 GEQULGHEWHUKBK-UHFFFAOYSA-N 223.179 3.818 30 20 BHED Cc1cc(C#N)cc(NCC2CCCCC2)c1 308104191 LAWXMLLLKXPBRY-UHFFFAOYSA-N 228.339 3.859 30 20 BHED CSC(C)(C)CCNc1cc(C)cc(C#N)c1 308122486 OODASJLWDHJARH-UHFFFAOYSA-N 248.395 3.810 30 20 BHED C=CCCCCNCc1sccc1C 308512214 SQYWCBYWQDQVTR-UHFFFAOYSA-N 209.358 3.502 30 20 BHED C=CC[C@H](C)N[C@@H]1CCCc2ccc(F)cc21 344281026 ABQSQPAVKMDFRV-XHDPSFHLSA-N 233.330 3.757 30 20 BHED C=CCC[C@@H](CC)NC[C@@H]1CCC(F)(F)C1 393736720 ACVGNRWTZGBGFB-VXGBXAGGSA-N 231.330 3.756 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H](CCC)C(C)C 410125224 XHIYJJXGZCNGJK-STQMWFEESA-N 225.376 3.530 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H](C)CCC=C(C)C 424867437 PQOOROBDTKVTHF-CYBMUJFWSA-N 237.387 3.840 30 20 BHED C=C[C@H]1CCCCN1Cc1sccc1C 426557173 QIWTWOHKYBRJIJ-LBPRGKRZSA-N 221.369 3.597 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1CC 450420721 CSCQCXTTYGUFOZ-MELADBBJSA-N 237.387 3.674 30 20 BHED CCN(CC1(C#N)CCC1)[C@@H]1CCCC[C@@H]1C 450809270 KCYORVCYDMLMAY-UONOGXRCSA-N 234.387 3.581 30 20 BHED C#CCN(CC(C)(C)CCC#N)C1CCCCC1 490876522 UVCSDFYKDMTZSL-UHFFFAOYSA-N 246.398 3.584 30 20 BHED C=CCCN1CCCC[C@@H]1Cc1ccccc1 525328317 NIBIHXSORJSGGV-MRXNPFEDSA-N 229.367 3.660 30 20 BHED C=C(CC)CSc1nc2ccccc2o1 539111451 DMWUJAMGDGXQQW-UHFFFAOYSA-N 219.309 3.886 30 20 BHED CC#CCCSc1c(F)cc(F)cc1F 545195234 TXIMMQCTNNXKEP-UHFFFAOYSA-N 230.254 3.609 30 20 BHED Cc1ccc(N[C@H]2CCc3ccc(C#N)cc32)cc1 567798151 FEJRCRBVKUMQOM-KRWDZBQOSA-N 248.329 3.966 30 20 BHED CCC(CC)N(CC)Cc1ccc(C#N)s1 574437083 UNPRTQDCZOCAJM-UHFFFAOYSA-N 236.384 3.630 30 20 BHED C=CCCOc1cccc(OCC(F)(F)F)c1 576728020 REELNMXIFDSIRI-UHFFFAOYSA-N 246.228 3.583 30 20 BHED CC[C@H](C)[C@H]1CCCCN1CCCCC#N 610001963 POFOYDHMIIQSLV-UONOGXRCSA-N 222.376 3.581 30 20 BHED C=C(C)CCOC(=O)c1sccc1C(C)C 744299451 ANHICERQWHXZHH-UHFFFAOYSA-N 238.352 3.995 30 20 BHED CCC(C)(C)CCOC(=O)c1ccc(C#N)cc1 744341121 MDNOPWWSXYYFFE-UHFFFAOYSA-N 245.322 3.541 30 20 BHED CCCCCCC=NNc1ccc(C(=O)O)cc1 755456188 SYVXEZOWNUNHOQ-UHFFFAOYSA-N 248.326 3.753 30 20 BHED C#CCCCCCC(=O)NC[C@@H]1CCC[C@@H](C)C1 779860624 DVFQCZDYOQTFFU-HUUCEWRRSA-N 249.398 3.513 30 20 BHED C=CC[C@@H](NCCCC(C)C)c1ccncc1 783639083 ZRLHYBTZMUCFTG-OAHLLOKOSA-N 232.371 3.725 30 20 BHED C[C@@H](NN=Cc1cccc(Cl)c1)C(C)(C)C 793115934 UNQISIJJWWNKIT-SNVBAGLBSA-N 238.762 3.698 30 20 BHED CCCC1CCC(=NOCCSC)CC1 794572345 PFGWVJQKIVOWIB-UHFFFAOYSA-N 229.389 3.712 30 20 BHED CCCC[C@H](CC)COC(=O)c1ccc(C#N)o1 796154350 PLMLDCNXJUWLEY-NSHDSACASA-N 249.310 3.524 30 20 BHED CC1=CCC[C@H](C)[C@H]1C=NOCCC1CC1 814247051 OUTRFXSEQXLGHQ-JSGCOSHPSA-N 221.344 3.781 30 20 BHED CSc1ccc(C=NOC/C=C\Cl)s1 814934020 ISEGIDWTVJRBSN-QJYSGIAXSA-N 247.772 3.573 30 20 BHED C=CCC[C@H](CC)NCc1cc(C)ccc1O 862475990 DPKJBGGMOZFTEV-AWEZNQCLSA-N 233.355 3.535 30 20 BHED CON=C(C)c1ccc(-c2ccc(F)cc2)s1 863968426 QFFSGUGLBNNPFO-UHFFFAOYSA-N 249.310 3.925 30 20 BHED C#CCCCCCC(=O)NCC1CCCCCC1 1325297749 YTCQAFONSVAPIU-UHFFFAOYSA-N 249.398 3.657 30 20 BHED C=C(CC)C(=O)N(Cc1ccc(F)cc1)C(C)C 1346359864 JKKZCVPURPOSCI-UHFFFAOYSA-N 249.329 3.529 30 20 BHED Cc1c(C#N)cccc1NC[C@H](C)CC(C)C 1474433856 BXZVJDCXWGITAK-GFCCVEGCSA-N 230.355 3.961 30 20 BHED CC(C)(CC#N)CSCC1CCCC1 1641475714 XPHUHJYXPHZYOD-UHFFFAOYSA-N 211.374 3.850 30 20 BHED C=C(Cl)CN[C@@H](C)c1cccc(Cl)c1 37978956 CFJPHVCOBVSVGB-VIFPVBQESA-N 230.138 3.743 30 20 BHED C[C@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)cc1 55386469 BYRQBPZWWONLPS-XJKSGUPXSA-N 242.366 3.569 30 20 BHED C#CCCCCN[C@H](CC)c1cccs1 90397367 LJIMJGZVPMUURZ-GFCCVEGCSA-N 221.369 3.592 30 20 BHED Cc1cc(F)ccc1NCc1cc(C#N)cs1 93685187 LRPMRVBURBMRFO-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C=CCC[C@@H](C)NCCC1=CCCCC1 126693997 UMRDSVBIFVVRGY-CYBMUJFWSA-N 207.361 3.821 30 20 BHED Cc1cc(C(=O)/C=C/c2cncs2)c(C)s1 129942719 OWKYIPQJLFNEOT-ONEGZZNKSA-N 249.360 3.718 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCSc2ccccc21 161639479 GUVFHDFTFLDOFH-DGCLKSJQSA-N 233.380 3.778 30 20 BHED C=C(Cl)CSc1c(OC)cccc1OC 191272327 UEOPXQAYHNCBAO-UHFFFAOYSA-N 244.743 3.548 30 20 BHED C=CC[C@H](C)N[C@H]1CCC[C@@H](C(F)(F)F)C1 231837542 RLBUMMOUOAEOST-AXFHLTTASA-N 235.293 3.662 30 20 BHED CC(C)[C@H](CNCC(C)(C)C#N)c1ccccc1 232741988 RRDXSAHLYPEZRL-HNNXBMFYSA-N 244.382 3.566 30 20 BHED CC(C)(CCC#N)CN1CCC[C@@H]2CCC[C@H]21 245555637 IKWKXUALECGGAK-UONOGXRCSA-N 234.387 3.581 30 20 BHED C[C@@H]1C[C@@H]1[C@H](NCCC#N)c1ccc(Cl)cc1 298817071 FVKHTIADGMGTGK-DDTOSNHZSA-N 248.757 3.540 30 20 BHED C=C(C)CNc1ccc(Cl)cc1OCC 308973501 ANBRIEBJUUZMPN-UHFFFAOYSA-N 225.719 3.727 30 20 BHED C=CCC[C@H](NCCC1CC1)c1ccco1 309530613 BQFSENNVAXYNNH-ZDUSSCGKSA-N 219.328 3.677 30 20 BHED Cc1nnccc1N=C(O)C1(C)CCCCCC1 329404505 CKCGFSYIFHWBQZ-UHFFFAOYSA-N 247.342 3.734 30 20 BHED CC[C@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 360816264 AEONCMYUUYMBBM-LRDDRELGSA-N 242.366 3.714 30 20 BHED C=C[C@H](C)NCCc1ccc(C(C)C)cc1 381741658 PAYVEWCYYAXMSF-ZDUSSCGKSA-N 217.356 3.517 30 20 BHED CCCCN(CCCC)CC1(C#N)CCC1 450221124 OVEWMAOIDVTFAU-UHFFFAOYSA-N 222.376 3.582 30 20 BHED C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CCC(C)(C)C1 464499225 SGKJTNKUJMCQFE-DOMZBBRYSA-N 237.387 3.626 30 20 BHED C=CCOCCCSCc1ccc(C)cc1 479582669 LELUSVSOTGGCDF-UHFFFAOYSA-N 236.380 3.821 30 20 BHED CC#CCSc1nc(C)c(-c2ccccc2)[nH]1 488235051 UBDZCEOTCQYSAV-UHFFFAOYSA-N 242.347 3.501 30 20 BHED C=CCCCCNc1ccc([C@H]2CCOC2)cc1 562772322 YEEGOZAELDDPKH-HNNXBMFYSA-N 245.366 3.959 30 20 BHED CCCCCc1ccc(NCCC#N)cc1 566120496 MPXFPCDQPYXMNV-UHFFFAOYSA-N 216.328 3.745 30 20 BHED C=CCC[C@@H](CC)N[C@H](C)c1cnccc1C 678425865 DABDIRVRWZIDPD-ZIAGYGMSSA-N 232.371 3.785 30 20 BHED CCCCCC=NNc1nncc2ccccc12 755489943 BYNLQSVYVPPDGO-UHFFFAOYSA-N 242.326 3.608 30 20 BHED CC#CCCN1CCC[C@H]1c1ccc(F)c(F)c1 764961163 RHRSEZRPPFPWCT-HNNXBMFYSA-N 249.304 3.515 30 20 BHED C=CCCCCCN(C)Cc1cccc(C)c1O 775701563 GTNCKJXAWWERNH-UHFFFAOYSA-N 247.382 3.879 30 20 BHED C[C@@H]1CC(=NOCCC(F)(F)F)C[C@@H](C)C1 777459864 MQSHNXNAQVRXRS-IUCAKERBSA-N 237.265 3.768 30 20 BHED CC(C[C@H](C)CC(C)C)=NNC1CCCC1 779774490 XGFQGFWOWBLYPH-GFCCVEGCSA-N 224.392 3.967 30 20 BHED C[C@@H]1CCCC(=NN[C@H](C)C(C)(C)C)C1 793113532 GDJWUNYBOFERER-GHMZBOCLSA-N 210.365 3.577 30 20 BHED CCCCC(CC)=NN[C@@H](C)C(C)(C)C 793114785 JFHQSEOCJKEYED-NSHDSACASA-N 212.381 3.967 30 20 BHED FCC[C@@H]1CCCC1=NNc1ccc(F)cc1 794861950 HJKBGLCXAXVHRC-JTQLQIEISA-N 238.281 3.753 30 20 BHED Fc1cccc(NN=C2CCC23CCC3)c1 799877337 WEGLDAMVXOXPEG-UHFFFAOYSA-N 218.275 3.558 30 20 BHED c1ccc(C(CC2CC2)=NOCC2CC2)cc1 814243999 XGMJPIFIJQAZLM-UHFFFAOYSA-N 229.323 3.617 30 20 BHED CC1CC(=NNc2ccc(C(F)(F)F)cc2)C1 814882260 LTPWFDWCKVFFGR-UHFFFAOYSA-N 242.244 3.903 30 20 BHED CC(C)(C)[C@H]1CC(=NOC/C=C\Cl)CS1 814934095 LIHLJPSXEVZWMA-ZTHJBXNKSA-N 247.791 3.663 30 20 BHED C#CCCCCCC(=O)NCCC(C)(C)C1CC1 819150549 XXVGOIOFJFBTNF-UHFFFAOYSA-N 249.398 3.513 30 20 BHED C[C@H](CC(C)(C)C#N)OC(=O)CCC(C)(C)C 851209858 PVMMHKCQRBOQLU-LLVKDONJSA-N 239.359 3.684 30 20 BHED C=CCCC(C)(C)NC(=O)C=C1CCCCC1 856374293 VQJMNRAVPSDPBB-UHFFFAOYSA-N 235.371 3.738 30 20 BHED COc1cccc(OCCCC(C)(C)C#N)c1C 902794197 CDSKFQSWHBPVOB-UHFFFAOYSA-N 247.338 3.712 30 20 BHED C[C@H](N(C)CCCCC1(C#N)CCC1)C1(C)CC1 929816717 KZKIJXQPAQKBDC-AWEZNQCLSA-N 248.414 3.971 30 20 BHED C=C(CC(C)C)C(=O)Nc1cccc2cc[nH]c12 1521334556 DHCMKXFTZOFDBC-UHFFFAOYSA-N 242.322 3.709 30 20 BHED C=C(CC)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1 1521574071 ACHXOLILZVQYKI-DOMZBBRYSA-N 243.350 3.562 30 20 BHED CC1(C)CCC[C@@H](CN(CCC#N)CC2CC2)C1 1658955785 LZZUREKZGILGHS-OAHLLOKOSA-N 248.414 3.828 30 20 BHED C[C@@H](Nc1ccccc1F)c1cccc(C#N)c1 37211332 UDNAWSRBZYRKSO-LLVKDONJSA-N 240.281 3.870 30 20 BHED C[C@@H](Cc1ccsc1)Nc1ccc(C#N)cc1 48553252 AIXNVTOFRKGAPI-NSHDSACASA-N 242.347 3.663 30 20 BHED CCCCCN(CCC#N)Cc1ccc(F)cc1 53135218 OOBKYECZXRYYBR-UHFFFAOYSA-N 248.345 3.732 30 20 BHED C=CCNC(C)(C)c1cccc(C(F)(F)F)c1 76692951 XSRGUNSMPVKXHS-UHFFFAOYSA-N 243.272 3.716 30 20 BHED Cc1ccccc1C(=O)/C=C\c1ccc(C#N)cc1 97993497 IIIWSWXNUTZKBC-KHPPLWFESA-N 247.297 3.763 30 20 BHED C=CC[C@@H](C)NC(=O)c1sccc1C(C)C 116862392 MZCXCIHSIJCSQJ-SNVBAGLBSA-N 237.368 3.566 30 20 BHED C=CC[C@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] 122709083 RRJUGIYULOHGHG-QMMMGPOBSA-N 240.690 3.625 30 20 BHED CC(C)(C#N)CCCO/N=C/c1ccc(F)cc1 135475126 IUVZZGSNLCXKFI-LICLKQGHSA-N 248.301 3.506 30 20 BHED C=CCCSCCCOc1ccc(C#N)cc1 172671028 REQVUENKMXZNHT-UHFFFAOYSA-N 247.363 3.636 30 20 BHED CCCCCCCCC(=O)N1CCC[C@H]1C 173148654 FQKWUKYDEWTZLB-CYBMUJFWSA-N 225.376 3.748 30 20 BHED C=CCCCC(=O)N1CC[C@H](C)c2ccccc21 177548239 PLAOIWHKRFFFNK-ZDUSSCGKSA-N 243.350 3.883 30 20 BHED CC#CCCCC(=O)NC[C@@H](CC)CCCC 184855534 ISJRXOLYVXBCKQ-AWEZNQCLSA-N 237.387 3.513 30 20 BHED C#CCCCCNCc1cccc(SCC)c1 185574016 ZPTAOUYBOPYORP-UHFFFAOYSA-N 247.407 3.692 30 20 BHED C=CCC1(C(=O)N[C@@H]2CC23CCCCC3)CCC1 189951409 RQUSLPIGTZLXJA-CYBMUJFWSA-N 247.382 3.572 30 20 BHED C#CCCCCN[C@@H](C)c1ccc(C)c(C)c1 222290052 UZGWYOZARQDWKZ-HNNXBMFYSA-N 229.367 3.758 30 20 BHED CCc1onc(C)c1N=C(O)C1=C(C)CCC1 328810429 DUTKHDUTXZRGGR-UHFFFAOYSA-N 234.299 3.634 30 20 BHED N#CCCN(CC1CCCCCC1)CC1CC1 353418138 ZVNNXBWJIFIVIZ-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=CCCCCC[C@@H](C)N[C@H](C)CSC 380222733 JPISWBVZRAWEJN-CHWSQXEVSA-N 229.433 3.853 30 20 BHED C=CCCCCN[C@H](C)c1cc(C)c(C)o1 381308222 KOLOAPHPIZIFQP-GFCCVEGCSA-N 221.344 3.903 30 20 BHED N#CCN(CCC1CCCCC1)C1CCCC1 383122651 ALXHUDMPPJEPEG-UHFFFAOYSA-N 234.387 3.725 30 20 BHED C=C(CN[C@H]1CCC[C@H]1CC)c1ccccc1 388586386 IJIUJGHLDFBFEM-ZBFHGGJFSA-N 229.367 3.868 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1cc(C)ccc1O 393761978 MKGLWHMXLYEUAG-QWHCGFSZSA-N 233.355 3.706 30 20 BHED C[C@H](SCCC#N)c1cccc(F)c1 413012361 LGIHLNHHXVRNBK-VIFPVBQESA-N 209.289 3.534 30 20 BHED C=C[C@@H](C)N[C@H](C)Cc1ccc(F)cc1Cl 421830993 CGNKIIIBOLXBGY-NXEZZACHSA-N 241.737 3.574 30 20 BHED Cc1ccc([C@H](C)NCC2(CC#N)CC2)cc1C 430730312 AHETVFAQMSDQCU-AWEZNQCLSA-N 242.366 3.648 30 20 BHED CC(C)c1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1 442891329 RAIUTCSYLOJTLT-IUODEOHRSA-N 228.339 3.914 30 20 BHED C[C@H]1CCc2ccccc2N1CC1(C#N)CCC1 450245265 OOODJQYHJMPLNC-ZDUSSCGKSA-N 240.350 3.522 30 20 BHED C=CCCN[C@H](C)c1cccc(C2CC2)c1 451110200 DOLDGDCCIQMJBF-GFCCVEGCSA-N 215.340 3.791 30 20 BHED CC(C)(CCC#N)CN[C@@H](C1CCCC1)C1CC1 453232907 RKCWKKMMDPLUJF-HNNXBMFYSA-N 248.414 3.875 30 20 BHED C=C(C)CCc1noc(C(C)(C)C(C)C)n1 515330149 ONXMVVXANHXIEQ-UHFFFAOYSA-N 222.332 3.512 30 20 BHED C/C(Cl)=C/CN(C)[C@H](C)c1cccc(C#N)c1 528525455 KQSXKYROGLPGEN-SEVUFMINSA-N 248.757 3.694 30 20 BHED C=CCCCC(=O)Nc1ccc(CC)c(C)c1 538799254 WLNIDOODIMQWIX-UHFFFAOYSA-N 231.339 3.852 30 20 BHED C=CCCCCSCCn1cc(Cl)cn1 562824560 KUFWYLDMXCQJDE-UHFFFAOYSA-N 244.791 3.626 30 20 BHED C=CCCCCN(C)[C@@H](C)c1ccco1 573070668 CVEGSFDTNMMXEW-LBPRGKRZSA-N 207.317 3.629 30 20 BHED N#CCCC1CCN(CC23CCC(CC2)C3)CC1 581367543 DJEMAGAPAKECEV-UHFFFAOYSA-N 246.398 3.582 30 20 BHED C=CCCN1CCS[C@@H](C)[C@@H]1c1ccccc1 606898091 HLONWDIJGTWPBK-DZGCQCFKSA-N 247.407 3.741 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccc(C)nc1C 651425977 SUVCHTHYTCNVKL-LBPRGKRZSA-N 232.371 3.561 30 20 BHED CCCCC(COC)=NNc1cc(C)ccc1C 737423084 NRZMOPHCQFMTQI-UHFFFAOYSA-N 248.370 3.908 30 20 BHED C=CCCCNc1ccc(OCC(F)F)cc1 748447803 GOLPXWFWNUHJPJ-UHFFFAOYSA-N 241.281 3.709 30 20 BHED CCC(CC)NN=C(CC(C)C)c1ccccn1 760258195 GCQBBHIRLLDCEJ-UHFFFAOYSA-N 247.386 3.610 30 20 BHED Cc1ccc(C)c(NN=C2CC(C(F)F)C2)c1 766017012 ZXWOMYDELSGAIV-UHFFFAOYSA-N 238.281 3.746 30 20 BHED C#C[C@H](C)NC(=O)[C@H](CCC)CC1CCCCC1 775386096 PCPNCVNELOXFHT-DZGCQCFKSA-N 249.398 3.511 30 20 BHED CC(C)=CCCC(C)=NNCCC(F)(F)F 794545174 HUGMSUWHOFVDAK-UHFFFAOYSA-N 236.281 3.651 30 20 BHED CCOc1ccc(NN=C2CCC[C@@H]2C)cc1 814985229 XVJZZIGTRMXBIC-NSHDSACASA-N 232.327 3.673 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)c1ccc(C)cc1 819213320 JRDIDICBRPFVCV-UHFFFAOYSA-N 231.339 3.560 30 20 BHED N#CCCCCSc1ncc(Cl)s1 849999268 XSZQDVMINOEQOE-UHFFFAOYSA-N 232.761 3.582 30 20 BHED Fc1ccc(NN=C/C=C\c2ccccc2)cc1 916268271 VFZJWGLFOWPDLR-WENYHIJHSA-N 240.281 3.937 30 20 BHED N#CC1(CCCCN2[C@H]3C=CC[C@H]2CC3)CCC1 930076558 KAFMTFXSRYKSKA-GJZGRUSLSA-N 244.382 3.643 30 20 BHED CC(C)[C@@H]1CCCCCN1C[C@H](C)CCC#N 1308641697 LXPMKXRUQYYLBA-CABCVRRESA-N 236.403 3.827 30 20 BHED Cc1c(C#N)cccc1NC[C@@H]1C[C@H]2CC[C@H]1C2 1474164790 YVQTXNZVJBPNLX-YDHLFZDLSA-N 240.350 3.715 30 20 BHED C=CCCN[C@@H](C)c1ccccc1Cl 70591991 YHKXVZKSFVFCDO-JTQLQIEISA-N 209.720 3.567 30 20 BHED CCCc1ccccc1NCC1(CC#N)CC1 88249791 ONQAPMWZYZULSG-UHFFFAOYSA-N 228.339 3.745 30 20 BHED CC(C)(CCC#N)CN1CCC[C@H]1C1CCCC1 92401835 PNTKDOSAPDUVIO-HNNXBMFYSA-N 248.414 3.971 30 20 BHED C=CCCCN1CCC(Nc2ccccc2)CC1 117877186 FBZGFGCTYSCESO-UHFFFAOYSA-N 244.382 3.529 30 20 BHED CC(C)(C#N)CNC1CCC2(CCCC2)CC1 129494609 JOQZRPWLBVISQK-UHFFFAOYSA-N 234.387 3.629 30 20 BHED C=CCC[C@H](C)NC1(c2ccccc2)CC1 134941126 BBXHWJZXZDPRLR-ZDUSSCGKSA-N 215.340 3.620 30 20 BHED C[C@@H](NCC(C)(C)C#N)c1ccc(Cl)cc1 163913849 JBGBGZWDTUBSDS-SNVBAGLBSA-N 236.746 3.540 30 20 BHED C=CC[C@@H](C)NC(=O)[C@@H](C)CCCCCC 173800794 VUZCQOFXZDTIGG-QWHCGFSZSA-N 225.376 3.674 30 20 BHED C=CC[C@H](C)N[C@H]1CCCOc2cc(C)ccc21 180951930 OBYXJRYSUICDSJ-ZFWWWQNUSA-N 245.366 3.763 30 20 BHED C[C@@H](c1ccc(C#N)cc1)N1CCCC[C@@H](C)C1 187921849 GGGUCRVMVWFZEZ-KGLIPLIRSA-N 242.366 3.741 30 20 BHED C#CCCN[C@H](C)c1cccc(Cl)c1Cl 223835133 OYMQSRCVZPAMFV-SECBINFHSA-N 242.149 3.667 30 20 BHED CC(=O)c1ccc(C#N)c(NC2CCCCC2)c1 273187194 IHHGCPNFZYMSKJ-UHFFFAOYSA-N 242.322 3.505 30 20 BHED Cc1cccc(/C(O)=N/[C@](C)(C#N)CC(C)C)c1 330753899 DXCANABVOWHGKM-HNNXBMFYSA-N 244.338 3.628 30 20 BHED C=CCC1(C(=O)N2CCCC3(CC3)C2)CCCC1 334830348 XJRBWHBCSMKDCN-UHFFFAOYSA-N 247.382 3.526 30 20 BHED C[C@H]1CC[C@H](Sc2ccccc2C#N)C1 338553918 QPMOZWDZTAFLDO-JQWIXIFHSA-N 217.337 3.839 30 20 BHED CC[C@@H]1CCCC[C@@H]1c1noc(CCCC#N)n1 341173301 ONYOFZANGSOEFA-NEPJUHHUSA-N 247.342 3.600 30 20 BHED N#Cc1cnccc1/C=C/c1ccc(Cl)cc1 349113044 PPYGIBCTWNONMD-DAFODLJHSA-N 240.693 3.777 30 20 BHED CC[C@@H]1[C@@H](C)CCN1CCCCC(C)(C)C#N 384285713 MLALGUWHHGVNOF-UONOGXRCSA-N 236.403 3.827 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1csc(C)c1 384861523 OKWLHTOOXCRSAL-NSHDSACASA-N 223.385 3.919 30 20 BHED C=CCCCCCSC[C@H]1CCCO1 419489181 COFKXAHKBLWEED-GFCCVEGCSA-N 214.374 3.645 30 20 BHED CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 424129655 SJFNTXFMHPPIAK-NILFDRSVSA-N 246.329 3.559 30 20 BHED C=CCC1(NC(=O)CCCC)CCCCC1 456390928 ZPBDZPLWYROBNF-UHFFFAOYSA-N 223.360 3.572 30 20 BHED CC#CCCN1CCCCC[C@H]1c1ccc(C)o1 462323975 WMYYTSUZICYFKV-HNNXBMFYSA-N 245.366 3.919 30 20 BHED C=CCCCOc1c(Cl)cccc1[N+](=O)[O-] 471295551 HCFHRRXANRWLON-UHFFFAOYSA-N 241.674 3.593 30 20 BHED C=CCN1CCC[C@H](c2ccc(F)cc2)CC1 481394210 UNHGCWXIJMJTIH-ZDUSSCGKSA-N 233.330 3.581 30 20 BHED C=C(C)CCN(C)Cc1ccc(F)c(Cl)c1 510748812 KBHCGJAVLJUAEG-UHFFFAOYSA-N 241.737 3.877 30 20 BHED C=C(C)CCc1noc([C@H]2CC3CCC2CC3)n1 551439441 KQFURZLBLNXNPM-BPCQOVAHSA-N 246.354 3.872 30 20 BHED CCC(C)(CC)C(=O)Nc1cccc(CC#N)c1 590884598 OKGGWLMOLSQYHJ-UHFFFAOYSA-N 244.338 3.517 30 20 BHED C[C@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CC1(C)C 595911377 FZRCZINQWQCXSR-DOMZBBRYSA-N 242.366 3.597 30 20 BHED C[C@H]1CCCC[C@@H]1CSCC1(C#N)CC1 596376091 FVFYZPAVQYMZAR-NWDGAFQWSA-N 223.385 3.850 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H]1CCC[C@@H](C)C1 620858351 DYLXBJKGCCUTTA-CHWSQXEVSA-N 237.387 3.674 30 20 BHED C=CCCCCCN(CC)Cc1ccoc1 683781801 MAWPYIPRCDNNPY-UHFFFAOYSA-N 221.344 3.848 30 20 BHED CCCCCCCN[C@@H]1CCO[C@@H](CC)C1 705951204 FLAAOKISAYPMAI-KGLIPLIRSA-N 227.392 3.504 30 20 BHED CCN(CCCCC#N)c1ccc(Cl)cc1 726597663 UTGAGMBYGCXKGI-UHFFFAOYSA-N 236.746 3.860 30 20 BHED C=CCCCOC(=O)c1cc2cc(F)ccc2o1 735549158 KWRFWTMEXCPVJJ-UHFFFAOYSA-N 248.253 3.695 30 20 BHED C#Cc1cccc(NC(=O)/C=C(/C)C(C)(C)C)c1 742512623 VJGBRJUQFAFNDH-BENRWUELSA-N 241.334 3.599 30 20 BHED C=C(Cl)CN(C)C/C(C)=C\c1ccccc1 755194759 LBIDONBCGLERDO-XFXZXTDPSA-N 235.758 3.774 30 20 BHED CCCCCCCCNC(=O)C1[C@@H]2CCC[C@@H]12 755214413 FLDLNFBABGQYFG-CHWSQXEVSA-N 237.387 3.509 30 20 BHED CC(CC1CCC1)=NNc1ccccc1[N+](=O)[O-] 758359376 PYOOEECYWBABRN-UHFFFAOYSA-N 247.298 3.573 30 20 BHED CC(=NNc1cc(C)ccc1F)c1ccccc1 759664419 KMPNDZXNUQAGEN-UHFFFAOYSA-N 242.297 3.970 30 20 BHED C#CCC(C)(C)C(=O)O[C@@H](C)c1ccc(C)cc1 767098585 CMGFJAOSHVQBEB-ZDUSSCGKSA-N 244.334 3.649 30 20 BHED C/C=C(\CC)C(=O)OCCCCC(C)(C)C#N 768894356 ZKTBMSPWPNYTTG-LFYBBSHMSA-N 237.343 3.606 30 20 BHED C#CCCCCc1nc(C2(CC)CCCC2)no1 771718632 PEAVGOBXVMZLTE-UHFFFAOYSA-N 246.354 3.637 30 20 BHED C#CC[C@@H](N[C@@H](C)C1CCCC1)c1ccccc1 773113286 CXOXUKPTZMYTAI-WMLDXEAASA-N 241.378 3.919 30 20 BHED C[C@H]1CCCC(=NOCCC(F)(F)F)[C@H]1C 777458284 HKRABKSRJJKFQI-IUCAKERBSA-N 237.265 3.768 30 20 BHED C[C@H]1C[C@H](C)CCC1=NOCCC(F)(F)F 777462821 NJUDKQPRZFUERS-BDAKNGLRSA-N 237.265 3.768 30 20 BHED CC(C[C@@H](C)CC(C)C)=NNc1cc(C)ncn1 779775457 DIAMUMOUWCTUSH-NSHDSACASA-N 248.374 3.645 30 20 BHED c1ccc(NN=C2CCC23CCCC3)cc1 788698871 NFSNIZGGOMZYHL-UHFFFAOYSA-N 214.312 3.809 30 20 BHED CCCc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1 799721207 WURJDVNBSUJJCA-DZGCQCFKSA-N 228.339 3.743 30 20 BHED CCC(=NOCC1CC1)c1ccc(F)cc1F 814940940 HSHXTDOLZLWKMH-UHFFFAOYSA-N 239.265 3.506 30 20 BHED CC(C)ON=C[C@H](c1ccccc1)C(C)C 835001147 CKGOKTIADJCUJT-AWEZNQCLSA-N 219.328 3.837 30 20 BHED CCCCCCCC(=O)N[C@H](C)[C@H](C)CC 919936160 JKSNBEDNHCIQAB-CHWSQXEVSA-N 227.392 3.898 30 20 BHED CCC(C)=NNc1cccc(Cl)c1F 921137972 XAXUGCJLPBAFOL-UHFFFAOYSA-N 214.671 3.677 30 20 BHED CCC(CC)CC(=O)Nc1cc(C)cc(C#N)c1 1129686229 STJMUWYYOZGFTI-UHFFFAOYSA-N 244.338 3.632 30 20 BHED C[C@@H](CC=NOC(C)(C)C)c1ccccc1 1319802825 ACZALBJIKGNFKA-LBPRGKRZSA-N 219.328 3.981 30 20 BHED CC(C)CNN=C[C@@H](C)c1cccc(Cl)c1 1324808822 JJMGJPYIJRAQKY-LLVKDONJSA-N 238.762 3.675 30 20 BHED CC(=NOC(C)(C)C)c1ccc(Cl)cc1O 1325665314 FDVATMJBLCMTRV-UHFFFAOYSA-N 241.718 3.585 30 20 BHED C[C@@H]1CCC[C@@H](Nc2ccc(OCC#N)cc2)C1 20126414 JYDQQQFCACQUDW-TZMCWYRMSA-N 244.338 3.580 30 20 BHED CC(C)CCC[C@@H](C)NCc1ccc(C#N)cc1 20545966 LGVBOKYRPAIGPA-CQSZACIVSA-N 244.382 3.863 30 20 BHED CCC1CCC(N(C)CCCCC#N)CC1 49579457 NABKGGVORRFTGP-UHFFFAOYSA-N 222.376 3.581 30 20 BHED O=C(/C=C/c1ccsc1)c1cccc(F)c1 57435480 DGYNUTKTLISIHM-SNAWJCMRSA-N 232.279 3.783 30 20 BHED C=CCCNc1ccccc1OC(F)(F)F 70591336 BNKWQIZTYWVBOW-UHFFFAOYSA-N 231.217 3.573 30 20 BHED Cc1cc([C@H](C)NCCCC(C)(C)C#N)c(C)o1 87597920 IMQZDICPBNFUAE-LBPRGKRZSA-N 248.370 3.877 30 20 BHED C=C(C(=O)c1ccccc1)c1ccccc1 114532670 ZTKPNSXSOUTJFJ-UHFFFAOYSA-N 208.260 3.583 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cc(F)ccc1F 116907712 TXTVMQYYOHSWAB-UWVGGRQHSA-N 225.282 3.580 30 20 BHED C=CCC(CC=C)C(=O)N(C)[C@@H]1CCCC[C@@H]1C 122560025 SAJXKBSBTDDRAN-DZGCQCFKSA-N 249.398 3.792 30 20 BHED C=CCC[C@@H](C)N[C@H]1CCCc2occc21 126756062 YDWFNZGFGMSQRK-YPMHNXCESA-N 219.328 3.601 30 20 BHED C=CCCCCCN(C)C(=O)c1ccc(F)cc1 156781306 QTUCLMQHVPJVOI-UHFFFAOYSA-N 249.329 3.644 30 20 BHED C=C(Cl)CN[C@@H]1CCCCc2ccccc21 161728494 MKOWPWQFNWOAKI-CQSZACIVSA-N 235.758 3.796 30 20 BHED C=CCCN[C@@H](C)c1c(F)cccc1Cl 181740287 UVUCAKLGHYMLPO-VIFPVBQESA-N 227.710 3.706 30 20 BHED Cc1ccc(F)cc1/C=C/C(=O)c1occc1C 182295412 XCGFRVUEVUGNNA-GQCTYLIASA-N 244.265 3.932 30 20 BHED Cc1ccc(C#N)c(NCC2(C)CCCCC2)n1 235843250 ZHGIEPFLGWCRKC-UHFFFAOYSA-N 243.354 3.644 30 20 BHED CC[C@H](NC1CCCC1)c1ccc(C#N)cc1 278336614 WYQIDBWVKZURKY-HNNXBMFYSA-N 228.339 3.542 30 20 BHED N#C[C@@H]1CC[C@H](Sc2ncccc2Cl)C1 278667456 XPORTEJFSJQDAD-BDAKNGLRSA-N 238.743 3.519 30 20 BHED C=CCN(C)C(=O)Nc1ccc(C2CCC2)cc1 278981508 REIHJQHGOMQYTL-UHFFFAOYSA-N 244.338 3.604 30 20 BHED CCCC(CCC)=NOC/C=C\Cl 308376890 SRVLCDXDNJGRCJ-YVMONPNESA-N 203.713 3.712 30 20 BHED C=CCCOc1ccccc1OC(F)(F)F 339027353 MKGZNWSDJSDQSD-UHFFFAOYSA-N 232.201 3.540 30 20 BHED C#CCCCN[C@H]1CCC[C@H]1CCC(C)C 381144143 NFLBTBXLWQMLNE-GJZGRUSLSA-N 221.388 3.594 30 20 BHED C=CC[C@@H](CC)NCc1cccc(Cl)c1F 381337909 WLSNLUMNAFTQRK-LLVKDONJSA-N 241.737 3.923 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCC(C)(C)c1cccnc1 414341503 VXCDZONESZYPSA-ZIAGYGMSSA-N 246.398 3.550 30 20 BHED COCC[C@H](C)SCCCCC(C)(C)C#N 435892774 MFKVDXATTZNBSO-LBPRGKRZSA-N 243.416 3.865 30 20 BHED C[C@H]1CCC[C@H](C)C1NC1CCC(C)(C#N)CC1 449104948 XEXQQQGVZXSABV-ILGZHXLLSA-N 248.414 3.873 30 20 BHED C=CCCC1(C(=O)N2CC[C@@H](CC(C)C)C2)CC1 476194394 FTHJDFVYFAEKBK-AWEZNQCLSA-N 249.398 3.627 30 20 BHED C=CCC(CC=C)C(=O)N(C)[C@@H]1CCC(C)(C)C1 478218223 NZFYHAYGITXDMY-CQSZACIVSA-N 249.398 3.792 30 20 BHED C=C[C@@H]1CCCCN1C(=O)c1cc(C)c(C)s1 488827958 BGPQSUZPWAIOPT-GFCCVEGCSA-N 249.379 3.546 30 20 BHED CCC[C@@H]1CCCC[C@@H]1NCCC(C)(C)C#N 547509680 QEYSGIMBKBOBCE-KGLIPLIRSA-N 236.403 3.875 30 20 BHED CC(C)(CNc1cc(C#N)ccn1)C1CCCC1 583339220 ZSGXSKYCCQFSLW-UHFFFAOYSA-N 243.354 3.582 30 20 BHED C=CCCCOc1ccc(F)c2c1C(=O)C[C@H]2C 605077048 XCRBVFQXNLHWGB-SNVBAGLBSA-N 248.297 3.861 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C2CCCCCC2)C1 617784353 RMCJADQKGIAOML-CQSZACIVSA-N 249.398 3.772 30 20 BHED C=CCCCCCN[C@H](C)c1cnc(C)s1 655807036 HMLAMJIOFAQSIT-LLVKDONJSA-N 238.400 3.849 30 20 BHED CC(C)[C@@H]1CCCC1=NNc1cccc(C#N)c1 747752057 UWNOVJQGPUIDFT-AWEZNQCLSA-N 241.338 3.782 30 20 BHED CC(C)CON=Cc1cc2cc(F)ccc2o1 749636780 RBGYDULJPZQQFK-UHFFFAOYSA-N 235.258 3.578 30 20 BHED CC[C@@H]1CCCC1=NNc1ccc(OC)cc1 750921436 JOPOLXHQHIJRKJ-LLVKDONJSA-N 232.327 3.673 30 20 BHED FC(F)(F)c1csc(NN=C2CCCC2)n1 755906518 ZBZGLJMRKDCSQY-UHFFFAOYSA-N 249.261 3.504 30 20 BHED Fc1ccccc1NN=C[C@@H]1C[C@H]2CC[C@H]1C2 762417732 JIXPWJSQFXRKAK-SRVKXCTJSA-N 232.302 3.660 30 20 BHED O=C(/C=C/c1ccccc1Cl)c1cscn1 769263599 JELQTCUTZYIWPI-AATRIKPKSA-N 249.722 3.693 30 20 BHED C=CCCCCCN(C)Cc1cc(C)ccc1O 769445050 CYLQHEKDFXUVCT-UHFFFAOYSA-N 247.382 3.879 30 20 BHED C=CCCN(C)C(=O)NCCCCCCCC 786134510 FUDFRPATXNLAFX-UHFFFAOYSA-N 240.391 3.564 30 20 BHED CC[C@@H]1CCC1=NNc1cccc(C)c1 807943044 ADEDQVGKGBHDQQ-LLVKDONJSA-N 202.301 3.583 30 20 BHED CC(=NOCC1CC1)C(C)(C)c1ccc(F)cc1 814244803 JPOMBLGUFSQNBT-UHFFFAOYSA-N 249.329 3.906 30 20 BHED C[C@H]1CCC(=NNc2cccc(F)c2F)C1 814859520 RLACQZXDTOGYDK-QMMMGPOBSA-N 224.254 3.553 30 20 BHED C=CCC1(NC(=O)/C=C(\C)CC)CCCCC1 836956731 LINXHQOPHUDLLD-OUKQBFOZSA-N 235.371 3.738 30 20 BHED CCc1nc(C(C)C)ccc1CON=C1CCC1 842031272 VXGBKXFZNOKOOJ-UHFFFAOYSA-N 246.354 3.824 30 20 BHED C=C(Cl)CNc1ccccc1OC(C)C 849313925 SHKJTIFTYOQLFB-UHFFFAOYSA-N 225.719 3.638 30 20 BHED C=CC[C@H]1CCCCC1=NNc1ccccn1 853269672 YVPUVIMOQYKNIX-LBPRGKRZSA-N 229.327 3.616 30 20 BHED C=C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccco1)C(C)(C)C 860737580 GPPUALFDVLREGH-WZRBSPASSA-N 248.322 3.527 30 20 BHED CC(=NNc1cccc(F)c1)c1cc(C)oc1C 920384576 XXOBKBXLEDASEO-UHFFFAOYSA-N 246.285 3.872 30 20 BHED Cc1cccc(N(CC#N)Cc2ccccc2)c1 37594021 SHERQMQKVPSIDD-UHFFFAOYSA-N 236.318 3.525 30 20 BHED Cc1ccc(C#N)cc1NCc1ccc(Cl)o1 50429791 RFRQGVPVDBVWRN-UHFFFAOYSA-N 246.697 3.725 30 20 BHED Cc1ccc(CNc2ccc(F)c(C#N)c2)s1 51635690 RSPIIWMTCDFGJI-UHFFFAOYSA-N 246.310 3.679 30 20 BHED N#Cc1cc(Cl)ccc1NC[C@@H]1CC=CCC1 52859758 TYDKFISQYMTFPL-LLVKDONJSA-N 246.741 3.980 30 20 BHED CN(CCCCC#N)CCC1CCCCC1 102401682 YHOKVNOEVWTMQP-UHFFFAOYSA-N 222.376 3.582 30 20 BHED C=CCCC(=O)CSc1ccc(C)c(C)c1 134655228 FLETVHLELSKNBI-UHFFFAOYSA-N 234.364 3.931 30 20 BHED C=CC[C@H](C)N[C@@H]1CCc2c(F)cc(F)cc21 154702799 YLGJJRRPQZOYIA-LKFCYVNXSA-N 237.293 3.506 30 20 BHED C=C(Cl)CN[C@H]1CCC(C)(C)C[C@H]1C 161731086 DYGUIFGIATUUSG-KOLCDFICSA-N 215.768 3.543 30 20 BHED CC[C@@H](C)CN(C)[C@@H](C)c1ccc(C#N)cc1 172398485 FIYJWMISGIPURJ-OLZOCXBDSA-N 230.355 3.597 30 20 BHED C=CC[C@H](C)NC(=O)C(C)(C)CCCCC 175423066 FAHXQNFEBOVFLQ-LBPRGKRZSA-N 225.376 3.674 30 20 BHED C=CCCCC(=O)N1CCC2(CCCCC2)CC1 175520268 YVZRIHPZBQIZSF-UHFFFAOYSA-N 249.398 3.916 30 20 BHED Cc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1F 185723668 CVWWQHHHCKWLHM-VXGBXAGGSA-N 232.302 3.628 30 20 BHED CCCCCCCC(=O)N(C(C)C)C1CC1 193217983 PYKZJBLNTONJGG-UHFFFAOYSA-N 225.376 3.746 30 20 BHED Cc1ccc(/C=C/c2ccc(C#N)cn2)cc1C 193447959 QIQUOLUSPNOAHB-FNORWQNLSA-N 234.302 3.741 30 20 BHED CC1(C)/C(=C/c2cccnc2)C(=O)c2ccccc21 194581314 SJBAWWXDWTZQLB-XNTDXEJSSA-N 249.313 3.639 30 20 BHED C=CCSCc1cc2ccccc2o1 196725770 UKPSEUKTCULGNJ-UHFFFAOYSA-N 204.294 3.852 30 20 BHED Cc1cc(C(=O)/C=C\c2cncs2)c(C)s1 255723338 OWKYIPQJLFNEOT-ARJAWSKDSA-N 249.360 3.718 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1cnn(C(C)C)c1C 281468486 FDOXYZHVZQSUED-JSGCOSHPSA-N 249.402 3.778 30 20 BHED CC(C)C[C@@H]1CCN(c2cccc(F)c2C#N)C1 301416897 FUOCWETZQWHJAA-LBPRGKRZSA-N 246.329 3.570 30 20 BHED CC[C@@H]1CC[C@@H](C)N(Cc2cccc(C#N)c2)C1 311015952 SJJWFKFYHQBVRG-ZIAGYGMSSA-N 242.366 3.569 30 20 BHED CCCCCCCCCC(=O)NOC(C)C 393328422 OGNCNVIWECALJL-UHFFFAOYSA-N 229.364 3.583 30 20 BHED C=CC[C@H](CC)Nc1ccc(F)cc1[N+](=O)[O-] 393779174 PRWPVRAKEXEKIW-JTQLQIEISA-N 238.262 3.501 30 20 BHED CCC[C@H]1CCCN1Cc1ccc(CC#N)cc1 399286081 ZDBRIVGTZZGUEN-INIZCTEOSA-N 242.366 3.517 30 20 BHED C=C(C)CN(Cc1cccs1)CC(F)(F)F 409444472 JYORSIUZGGQDHC-UHFFFAOYSA-N 249.301 3.689 30 20 BHED CC(C)(C#N)CCCN1CC[C@@H]1c1ccccc1 409445219 OQEZQLRARXMGTG-OAHLLOKOSA-N 242.366 3.763 30 20 BHED CC[C@H](NCc1ccc(C#N)s1)[C@@H]1CC1(C)C 418108195 QSWFDRREILITEQ-STQMWFEESA-N 248.395 3.534 30 20 BHED C[C@@H](Sc1ccc(C#N)cc1F)C(F)(F)F 427706182 RVZRFUDXESTVQM-ZCFIWIBFSA-N 249.232 3.740 30 20 BHED CC[C@@H](N[C@H](C)CC1CC1)c1ccc(C#N)cc1 447535671 HQZHQKQIEUWRAX-MLGOLLRUSA-N 242.366 3.788 30 20 BHED C=C[C@H](C)NC(=O)[C@H](CC)C1CCC(C)CC1 461014293 JREIJTRPWUXHSC-GNRIBBGQSA-N 237.387 3.530 30 20 BHED CC#CCCSCc1cccc(F)c1F 462381442 QFCNAPQUWHQPEG-UHFFFAOYSA-N 226.291 3.611 30 20 BHED C=CCCCCN[C@H](C)c1ccc(C#N)c(F)c1 471604549 XQBHNBGNRMBPGU-GFCCVEGCSA-N 246.329 3.704 30 20 BHED C=C(C)CN(CC)Cc1cccc(OC(C)C)c1 515540402 RLURZWOJFIAYDC-UHFFFAOYSA-N 247.382 3.872 30 20 BHED C=CCN(Cc1ccccc1)C1CCCC1 536473210 YUGHABVTAXBBAW-UHFFFAOYSA-N 215.340 3.617 30 20 BHED CC(C)(C)C(=O)CS[C@@H](C#N)c1ccccc1 582915351 LDPXNEBQYPCXOE-LBPRGKRZSA-N 247.363 3.600 30 20 BHED C#Cc1ccc(-c2ccc(F)cc2)s1 585144623 YZLIJNXVJJQHQM-UHFFFAOYSA-N 202.253 3.536 30 20 BHED CCCC[C@H](CCC)NC[C@H](C)CCC#N 602564729 CHCLXOXMHUXFBQ-KGLIPLIRSA-N 224.392 3.875 30 20 BHED CCC[C@@H](CC)N[C@@H]1CCc2cc(C#N)ccc21 618805842 PHQCCEICRLFUOI-GDBMZVCRSA-N 242.366 3.714 30 20 BHED C=CCC(C)(C)CNCc1nc2ccccc2o1 639208390 ZUJXXMGXSDKBCV-UHFFFAOYSA-N 244.338 3.520 30 20 BHED C=CC[C@@H]1CCCC[C@H]1N[C@H]1CCC(F)(F)C1 657955314 ZQTYMUBSQUDWBQ-FRRDWIJNSA-N 243.341 3.899 30 20 BHED C=CCCCOC(=O)c1cc2occc2s1 736890307 WERFWILGLOZXIX-UHFFFAOYSA-N 236.292 3.617 30 20 BHED CCCCCCCN(C)Cc1cccc(C)n1 752298254 MDPWLXDDGKLVHE-UHFFFAOYSA-N 234.387 3.792 30 20 BHED C[C@@H](C=NNc1ccc(Cl)cc1)CCC#N 765992542 LJQSJPQNUGUQHS-SNVBAGLBSA-N 235.718 3.678 30 20 BHED O=C(/C=C/c1cscc1Cl)c1ccco1 771859538 NPJMJLJPJXVTFD-ONEGZZNKSA-N 238.695 3.891 30 20 BHED CC[C@@H]1CCCC1=NNCCC(C)(C)C 782906947 HLIZTTRCOSHPQK-LLVKDONJSA-N 210.365 3.578 30 20 BHED CC1(CNN=C2CCC[C@@H]2CCF)CCCC1 793088914 BALHDVIIDABYMD-GFCCVEGCSA-N 240.366 3.672 30 20 BHED CC[C@@H](C)CON=C[C@H]1CCc2ccccc21 793162752 BWRQKVWPLGYFRB-TZMCWYRMSA-N 231.339 3.765 30 20 BHED C#CCCCNC(=O)CC(C)(C)C1CCCCC1 793579844 ZRVSVXNVMWVBSJ-UHFFFAOYSA-N 249.398 3.513 30 20 BHED CC1(c2ccccc2)CC(=NOC/C=C/Cl)C1 811669947 LGIIWOWPURSZRD-PPBRYCEMSA-N 249.741 3.863 30 20 BHED CCCCCCCCC(=O)NOC/C=C\Cl 812398970 DJSYBAFNDLHPAQ-NTMALXAHSA-N 247.766 3.537 30 20 BHED CCSCSc1ccc(C#N)cc1F 814750436 MSMYSVCDJVNYBK-UHFFFAOYSA-N 227.329 3.500 30 20 BHED CC[C@@H](C)C=NNc1ccc(F)c(F)c1F 814945972 ZFXLCOXHOVQZQR-SSDOTTSWSA-N 230.233 3.548 30 20 BHED CC1(C#N)CCC(Nc2ccc(Cl)nc2)CC1 824119712 MLCFWDXGAAIYCJ-UHFFFAOYSA-N 249.745 3.619 30 20 BHED C[C@H]1CCCCCC1=NOCc1cccnc1 844588750 HDWLMWNGUVOQGL-LBPRGKRZSA-N 232.327 3.554 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc(C(C)(C)O)cc1 925433613 ZSRMAAZGWCIKMY-QWHCGFSZSA-N 247.382 3.529 30 20 BHED CCCCCCCc1nnc(C(C)C)o1 1322038113 WVVBCNCUFKRNRO-UHFFFAOYSA-N 210.321 3.706 30 20 BHED CC(C)(C)ON=Cc1ccc(C(F)(F)F)cc1 1324558957 UWQZQVZKTWLFCY-UHFFFAOYSA-N 245.244 3.854 30 20 BHED CCC/C(C)=C\C(=O)O[C@@H](CC#N)c1ccco1 1345548725 WGHXMTGFKPZYSW-OEYXZAGESA-N 247.294 3.524 30 20 BHED C[C@H]1CCCN(CCC2(C#N)CCCCC2)[C@@H]1C 1473187875 UYECZDFJUHROHY-LSDHHAIUSA-N 248.414 3.971 30 20 BHED C=C(Cl)CN1CCC[C@H]1CCC(C)C 1473272847 LBIDQOFATZQKDR-LBPRGKRZSA-N 215.768 3.640 30 20 BHED C=C(Cl)COc1ccc(F)c2cccnc12 1652935575 YLCIBZWTJCJSFJ-UHFFFAOYSA-N 237.661 3.505 30 20 BHED Cc1ccc(COc2cccc(C#N)c2)c(C)c1 1656179856 BAQGCBPMTWOMOU-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C=CCOc1ccc(CN[C@@H](C)CCC)cc1 21802630 NNKICIZTEHUYPP-ZDUSSCGKSA-N 233.355 3.530 30 20 BHED C=C(C)CN(Cc1ccc(F)cc1F)C1CC1 52076247 NGJUNPOAXUSLPI-UHFFFAOYSA-N 237.293 3.505 30 20 BHED CCC1CCN(c2ccc(Cl)cc2C#N)CC1 52859648 DGYDIUQQKZAKEP-UHFFFAOYSA-N 248.757 3.838 30 20 BHED CCCCCCC[C@@H](C)NC[C@H]1CCCO1 59089979 NNQQSVBGVAWJJP-ZIAGYGMSSA-N 227.392 3.504 30 20 BHED CC[C@H](C)C[C@H](C)NCc1cc(C#N)cs1 86500349 KNDXGACFZFTYKG-QWRGUYRKSA-N 236.384 3.534 30 20 BHED CC1(C)CC[C@H](Nc2ccc(C#N)cc2)C1 87769426 RKCAFVUGPKZPGT-ZDUSSCGKSA-N 214.312 3.549 30 20 BHED C=CCCCN[C@H](Cc1ccccc1)C1CC1 183410704 CBFDDQMMIDIJOZ-MRXNPFEDSA-N 229.367 3.564 30 20 BHED C[C@H](CCNCc1ccc(C#N)o1)CC(C)(C)C 191116839 CLLFOWCQSJIHKM-GFCCVEGCSA-N 248.370 3.703 30 20 BHED CC[C@H](C#N)Sc1nc(-c2ccccc2)co1 195100211 IIUTUPSHGFOJEQ-LLVKDONJSA-N 244.319 3.736 30 20 BHED Cc1ccc(C)c(CON=Cc2cccs2)c1 251006808 BABIFAFAJQNNEB-UHFFFAOYSA-N 245.347 3.916 30 20 BHED C[C@@H](NCC(C)(C)CCC#N)[C@H]1C[C@H]2CC[C@H]1C2 253029506 QGWOCZPFLOBJFH-CBBWQLFWSA-N 248.414 3.731 30 20 BHED C#C[C@H](N[C@H](CC)c1ccc(F)cc1)C(C)C 305966490 PGHULCMYXOZJPB-LSDHHAIUSA-N 233.330 3.524 30 20 BHED C=CCCN[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C 309761611 ITSWDYLLAGNELQ-FZMZJTMJSA-N 235.758 3.741 30 20 BHED C=C(C)CCN1CCC(n2c(C)ccc2C)CC1 352131767 VYIHZYRNWQPUCO-UHFFFAOYSA-N 246.398 3.708 30 20 BHED C[C@@H]1CCC[C@@H](C)N(Cc2cccc(C#N)c2)C1 353880152 JDMWPVXEWRINBL-ZIAGYGMSSA-N 242.366 3.569 30 20 BHED C/C(=C\Cl)CSCCC(C)(C)C#N 388577774 CKSYVXBTECRHCW-RMKNXTFCSA-N 217.765 3.802 30 20 BHED C=CC(C)(C)C(=O)N[C@@H](C)c1cccc(C)c1C 449877680 SCHMNMGJLJYFFU-ZDUSSCGKSA-N 245.366 3.693 30 20 BHED C=CC(C)(C)CN[C@H]1CCC[C@@H]1CCCF 453310476 RDZQUJVUAVFZHD-OLZOCXBDSA-N 227.367 3.707 30 20 BHED C=CCCCOc1ccc(F)cc1OC(C)C 479437747 NGCNKZDBZFKUKW-UHFFFAOYSA-N 238.302 3.958 30 20 BHED C=C(C)CCN[C@@H]1CCC[C@H]1Cc1ccccc1 510775715 FSIYTKDXGIMZMR-DLBZAZTESA-N 243.394 3.954 30 20 BHED C=CC[C@H](C)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 525869491 NRLPVDLTLDAXRN-BHYGNILZSA-N 243.394 3.952 30 20 BHED CC[C@@H]1CCC[C@H](CN(C)CC(C)(C)C#N)C1 565883824 RHJWGGITROKGTN-KGLIPLIRSA-N 236.403 3.684 30 20 BHED C=CCC1(c2nc([C@H]3C[C@H]3C)no2)CCCC1 582946726 RKJZGLYQIYKFGV-MNOVXSKESA-N 232.327 3.581 30 20 BHED CN(CCCCC(C)(C)C#N)C[C@@H]1CC1(C)C 595907595 BONWHTBHOKDZSM-ZDUSSCGKSA-N 236.403 3.684 30 20 BHED C=CCCCN1CCS[C@H](c2ccccc2)C1 605154430 QSGLUOYQRPPNDB-HNNXBMFYSA-N 247.407 3.743 30 20 BHED C=CCS[C@@H](C)c1cc(F)ccc1F 609633860 STAVZTPXVKFTPH-QMMMGPOBSA-N 214.280 3.945 30 20 BHED C=CCSCCOc1ccccc1Cl 609633973 OLQOVJFKJZQERC-UHFFFAOYSA-N 228.744 3.638 30 20 BHED C=CCN(C(=O)CC(CC)CC)C(C)(C)C 622944139 GHWZFPARLLJRQY-UHFFFAOYSA-N 225.376 3.626 30 20 BHED C=CCCC[C@H](C)N[C@H](C)CC(C)(C)C#N 695891630 NSRRMCDMENYOLK-QWHCGFSZSA-N 222.376 3.649 30 20 BHED CC[C@@H]1C[C@H]1COc1ccc(C#N)c(Cl)c1 723129967 AJBOMRSGOJMREI-KOLCDFICSA-N 235.714 3.637 30 20 BHED C=CC[C@H](C)NC(=S)Nc1cc(C)cc(C)c1 734988662 ZZXXKWXYCQROBD-LBPRGKRZSA-N 248.395 3.554 30 20 BHED C=CCCC(=NNc1cc(C)ccn1)C1CC1 747765673 HRCGPGXOBJRJNM-UHFFFAOYSA-N 229.327 3.534 30 20 BHED C#Cc1cccc(NC(=O)[C@H](C)C(CC)CC)c1 761234416 KMYUXQJRSQDKRX-GFCCVEGCSA-N 243.350 3.679 30 20 BHED C=CC[C@H](N[C@@H](C)C1CCCC1)c1ccncc1 766019918 NVFDVTONUMCISB-BBRMVZONSA-N 244.382 3.867 30 20 BHED C#CCCCN[C@@H](Cc1ccc(C)cc1)C(C)C 766234531 WYIKVMMAELWMHK-KRWDZBQOSA-N 243.394 3.565 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@@H](F)c1ccccc1 769400142 ZSTYZVGUPPTDOR-OCCSQVGLSA-N 249.329 3.558 30 20 BHED CCCC(CC)=NNc1c(F)cccc1F 776186806 UBYHKAGJMHJBLH-UHFFFAOYSA-N 226.270 3.943 30 20 BHED CC(C)(C)CCCC(=O)OCCC(C)(C)C#N 776385954 HUEQTPMFHRSLJX-UHFFFAOYSA-N 239.359 3.686 30 20 BHED CC(C)CON=Cc1ccc(C(F)F)cc1 794522684 AUULXSBHFVBESF-UHFFFAOYSA-N 227.254 3.631 30 20 BHED COCCCON=CC[C@H](C)CCC=C(C)C 795048488 LVEUXEOUKDHNDF-CQSZACIVSA-N 241.375 3.798 30 20 BHED C=CCCCCCCCNC(=O)[C@@H](C)C(C)C 810767233 QWPPFTCNYZUZDK-AWEZNQCLSA-N 239.403 3.921 30 20 BHED Fc1c(Cl)cccc1C=NOC/C=C\Cl 811670376 QYQWEELIPSKIGD-SJUYUPISSA-N 248.084 3.582 30 20 BHED CC(=NOCC1CC1)[C@@H](C)c1ccccc1 814243788 NPOUKIRQULZNBA-LLVKDONJSA-N 217.312 3.593 30 20 BHED C=CCCCCC[C@@H](C)NCc1ccnn1CC 853239122 AJVJZASOFUDWHE-CQSZACIVSA-N 249.402 3.518 30 20 BHED C=CCC(C)(C)CNC(=O)[C@](C)(F)CCCC 854646907 JXVQMJCJGFCHQU-CQSZACIVSA-N 243.366 3.623 30 20 BHED CC(C)C[C@H](C)CN1CCc2ccc(C#N)cc21 1473349618 IAIKEIRDMZFRNJ-ZDUSSCGKSA-N 242.366 3.603 30 20 BHED C[C@H](Nc1ccc(C#N)cn1)[C@@H]1CCC[C@@H](C)C1 1559213565 XMMFOUUTLLYQPG-MBNYWOFBSA-N 243.354 3.580 30 20 BHED Cc1cc(S[C@@H](C)C(F)(F)F)ccc1C#N 1656666458 GOWSQDYLGNAEJT-QMMMGPOBSA-N 245.269 3.910 30 20 BHED C=CCNc1nc(-c2ccccc2F)cs1 7843402 LGQUTNZTPBZCTR-UHFFFAOYSA-N 234.299 3.547 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc(F)cc1Cl 119325645 BSWCQIWZTHSCCQ-IUCAKERBSA-N 227.710 3.704 30 20 BHED C#CCCCCC(=O)N1CCC[C@H](C)[C@H]1CCC 120220038 HSUQJZUQFMEECY-LSDHHAIUSA-N 249.398 3.607 30 20 BHED C=CCCC[C@H](C)NCc1ccc(Cl)o1 133572535 AKSFGXVPAPXMLD-JTQLQIEISA-N 227.735 3.767 30 20 BHED C=CC[C@@H](C)N[C@H](C)CCc1cccc(C)c1 163327561 IOAHHENWKRTZID-HUUCEWRRSA-N 231.383 3.870 30 20 BHED C=CCCN[C@@H](C)c1nc2ccccc2s1 164569106 CRSKPDUJEJIRFE-JTQLQIEISA-N 232.352 3.523 30 20 BHED C[C@@H](CNCCCCC#N)CC1CCCCC1 183474108 ZOMAWXWIXRXHAG-CQSZACIVSA-N 236.403 3.876 30 20 BHED CCOc1ccccc1N[C@H]1CCC[C@H](C#N)C1 185729347 MTYVJIFQEDGPAM-STQMWFEESA-N 244.338 3.580 30 20 BHED C=CCC[C@H](CCC)NCC(C)(C)OCC 188683672 LHYWRVQYGNOSLR-ZDUSSCGKSA-N 227.392 3.526 30 20 BHED Cc1cc(C)cc(C(=O)/C=C\c2cncs2)c1 255846514 RNGQGJIUYQRKNY-ARJAWSKDSA-N 243.331 3.656 30 20 BHED Cc1ncc(CSCCC(C)(C)C#N)s1 276665799 XVOQVTVMYVQXJK-UHFFFAOYSA-N 240.397 3.625 30 20 BHED CCCCCCC=NOC/C=C/Cl 308240906 SQVWHQGKHSOCOA-GQCAQHNKSA-N 203.713 3.712 30 20 BHED C=CCCCCCCNCc1cccs1 308776473 AOJFEXVSRSQSLV-UHFFFAOYSA-N 223.385 3.974 30 20 BHED C=CCCCCN[C@H](C)c1ccc(C)o1 308850204 QYFOJRWOWYKKFD-GFCCVEGCSA-N 207.317 3.595 30 20 BHED C=CCCCCC[C@@H](C)N[C@H](C)[C@@H](C)OC 309460683 NVPZRBCCYSOFAP-MGPQQGTHSA-N 227.392 3.524 30 20 BHED C#CCCCCN[C@@H]1C[C@H](C)CC[C@H]1CC 309689423 IROFVWPTCQQCRL-RBSFLKMASA-N 221.388 3.594 30 20 BHED CC(C)(C#N)CN[C@@H]1CCCC12CCCCC2 313094846 DDCBZQNYRIFUMB-CYBMUJFWSA-N 234.387 3.629 30 20 BHED OC(=Nc1cn[nH]c1)[C@@H]1CCC[C@@H]2CCCC[C@H]21 329031807 XIUSSSQZFQGJAG-CYZMBNFOSA-N 247.342 3.604 30 20 BHED CC(C)(CCC#N)CN1CCC[C@@H]2CCCC[C@@H]21 353839745 BDERLCXZLZQNJH-GJZGRUSLSA-N 248.414 3.971 30 20 BHED C=CCN(Cc1ccc(Cl)s1)C1CC1 357533812 YGGRQYIUZHPGNY-UHFFFAOYSA-N 227.760 3.552 30 20 BHED C=C[C@H](C)N[C@H]1CC2(CCC2)Oc2ccccc21 358317655 LDYUWIMGGCBSMI-JSGCOSHPSA-N 243.350 3.597 30 20 BHED C=CCCCN[C@H](C)[C@H]1CC2CCC1CC2 382074034 HJUYUAKATYPQGR-XSCHDIRWSA-N 221.388 3.757 30 20 BHED CC(C)(C)[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@H](C#N)C1 414306897 RPYNZENARVUSHQ-YJNKXOJESA-N 248.414 3.873 30 20 BHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)[C@@H](C)C1CCCCC1 424335934 XDOSPIIEZDIQHO-ORIJERBGSA-N 248.414 3.873 30 20 BHED N#C[C@H]1CC[C@H](NCCCCC2CCCC2)C1 442769735 QOORJHBTZGSCBC-GJZGRUSLSA-N 234.387 3.629 30 20 BHED C=C(C)CCN[C@@H](C)c1nccc2ccccc12 453313204 HSTYFRLTHLXWII-ZDUSSCGKSA-N 240.350 3.852 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@@H]1CCC[C@@H]1C 469815455 FGFJXZZZVMZZAR-IHRRRGAJSA-N 237.387 3.674 30 20 BHED CCCN(CC#N)CCc1ccc(C(C)C)cc1 469894073 TXPOAVOPOIOQTK-UHFFFAOYSA-N 244.382 3.588 30 20 BHED C=C(C)CN(CC)[C@H]1CCc2ccc(F)cc21 488567473 KKJHVYIIXZFVPK-HNNXBMFYSA-N 233.330 3.711 30 20 BHED C=CCC(C)(C)CNC(=O)c1cc(C)cc(C)c1 489963718 FYIOJYCSCBRMDL-UHFFFAOYSA-N 245.366 3.636 30 20 BHED C=C(C)CN(CC)Cc1cc(C)ccc1F 505842518 LBNVSQJVNGOOCI-UHFFFAOYSA-N 221.319 3.532 30 20 BHED C=C(CC)Cn1ccc(-c2ccc(F)cc2)n1 536882933 ZTFSPVWHPBBLAO-UHFFFAOYSA-N 230.286 3.655 30 20 BHED CCC(CC)N(CC)Cc1ccc(C#N)cc1F 561788406 YMOXQPJBMYAEDX-UHFFFAOYSA-N 248.345 3.708 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)Cc1ccncc1 568991511 VARQWZQOARRTTR-LSDHHAIUSA-N 246.398 3.737 30 20 BHED CC(C)(CC#N)CSc1ncccc1Cl 583946011 MYBNIKQNBGCXMZ-UHFFFAOYSA-N 240.759 3.767 30 20 BHED C[C@@H](NCCCC1CCC1)c1ccc(C#N)cc1 594732201 VDJSDJVCIRENKC-CYBMUJFWSA-N 242.366 3.789 30 20 BHED CC(C)CS[C@H](C#N)Cc1ccccc1 604553096 JIBDBTGVPFRIRQ-ZDUSSCGKSA-N 219.353 3.510 30 20 BHED C[C@H](NC1CC2(CCC2)C1)c1cccc(C#N)c1 610946366 GVAQUVCDKSAMSC-LBPRGKRZSA-N 240.350 3.542 30 20 BHED C=CC[C@@H]1CCCC[C@H]1NCCc1ccco1 657818304 BJQGYCXAHDYJKJ-UKRRQHHQSA-N 233.355 3.547 30 20 BHED C=C(C)CCc1noc(-c2cc(C)sc2C)n1 671670916 KIMJLAOYABGBQC-UHFFFAOYSA-N 248.351 3.924 30 20 BHED C=CCCOC(=O)CC[C@@H](C)c1ccccc1 750102585 BAQDOVGIZJEUQF-CYBMUJFWSA-N 232.323 3.690 30 20 BHED CCCCCC=NNc1ccc([N+](=O)[O-])cc1C 807991328 LOKIIAQYVNHGTM-UHFFFAOYSA-N 249.314 3.881 30 20 BHED CCC1(C)CCC(=NOC2CCC2)CC1 812237269 RTRBYTZBAQMOHP-UHFFFAOYSA-N 209.333 3.902 30 20 BHED CC1(C)CC(=NNc2ccc3ccccc3n2)C1 814697297 IDEHQLISEIDXAY-UHFFFAOYSA-N 239.322 3.823 30 20 BHED CC(C)c1cccc(C=NOCC(F)(F)F)c1 853320837 FPMIXAKWLLQJFO-UHFFFAOYSA-N 245.244 3.723 30 20 BHED Clc1cccc(CON=CC2CC2)c1Cl 853734910 LMPOCNOLHFXIGS-UHFFFAOYSA-N 244.121 3.906 30 20 BHED CCCON=Cc1ccsc1C(F)(F)F 863123772 LBOGCEZJHVHMMP-UHFFFAOYSA-N 237.246 3.527 30 20 BHED CCCCCCCCC(=O)N1C2CCC1CC2 887572362 FJHXNFBPVAXLIW-UHFFFAOYSA-N 237.387 3.890 30 20 BHED C=C/C=C/CCSCC1(C#N)CCC1 902406758 WJVANKZPGDHRHU-ONEGZZNKSA-N 207.342 3.546 30 20 BHED N#CCCCNc1c(F)cccc1C(F)(F)F 1120035401 UTJCTCGUAYJVQT-UHFFFAOYSA-N 246.207 3.560 30 20 BHED Cc1cnc(SCC2(C#N)CCCC2)c(C)c1 1652958344 YFIQPYLHQWRSAX-UHFFFAOYSA-N 246.379 3.875 30 20 BHED C[C@H](NC1CCCCCC1)c1cccc(C#N)c1 37218387 UERLYJUKUIVOHP-ZDUSSCGKSA-N 242.366 3.932 30 20 BHED C[C@@H]1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 42240522 HKVOLPLBDCFBOS-CZUORRHYSA-N 242.366 3.569 30 20 BHED C[C@@H]1CC[C@@H](NCc2cc(C#N)cs2)[C@H](C)C1 93492646 ARKIKTNOPDBKBK-JTNHKYCSSA-N 248.395 3.534 30 20 BHED N#Cc1ccc(Cl)cc1OCCC(F)(F)F 123010095 ZDRLOHTVUWMGNF-UHFFFAOYSA-N 249.619 3.543 30 20 BHED C=CCCS[C@@H](C)c1nc(C(C)C)no1 151949590 MKQIVEZOESNARW-VIFPVBQESA-N 226.345 3.563 30 20 BHED C=C(Cl)CNC1CC(c2ccccc2C)C1 164038514 UQNIVRWGCQBBNC-UHFFFAOYSA-N 235.758 3.583 30 20 BHED C[C@H](CCC1CC1)Nc1ccc(CC#N)cc1 187520404 CACFCJXDXDVHNZ-GFCCVEGCSA-N 228.339 3.743 30 20 BHED C=C(C)C[C@H](C)C(=O)Nc1c(C)cccc1OC 195010535 WTZYSMORYNKYLC-LBPRGKRZSA-N 247.338 3.544 30 20 BHED CCS[C@H]1CCC[C@@H]1Nc1ccc(C#N)cc1 224437831 MJZQQDUGVUAGRZ-KBPBESRZSA-N 246.379 3.644 30 20 BHED C[C@H](NC[C@H]1CCC[C@@H]1C)c1cccc(C#N)c1 230653381 UMTGHVSSSJEXKI-HEHGZKQESA-N 242.366 3.645 30 20 BHED CCCCCCCCS[C@H](C)[C@H](C)O 231174391 TUKKHKNLTMURAF-NWDGAFQWSA-N 218.406 3.849 30 20 BHED CC[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 233911490 OFBHBJOCPLWWAM-CQSZACIVSA-N 236.403 3.828 30 20 BHED C=CCC(CC=C)C(=O)Nc1ccc(F)cc1C 268169660 PXZGFAINDZIFTR-UHFFFAOYSA-N 247.313 3.841 30 20 BHED C[C@@H]1CC[C@H](NCCCC#N)c2ccccc21 273277039 PNRAZIGNXAIRFB-DOMZBBRYSA-N 228.339 3.518 30 20 BHED C=C[C@@H](C)Nc1cc(C)nc2c(F)cccc12 301697302 ZLYGHFARCIDMEO-SECBINFHSA-N 230.286 3.669 30 20 BHED C=CCCC[C@H](C)Nc1ccnc(C(C)C)n1 301987535 DLEQVDVWIFIKDT-LBPRGKRZSA-N 233.359 3.757 30 20 BHED CC[C@H](C)C[C@H](C)Nc1c(C#N)cccc1C#N 302869139 AUHGGCPPIUHQPV-RYUDHWBXSA-N 241.338 3.667 30 20 BHED C#Cc1cccc(NC(=O)CCCC(C)(C)C)c1 303186383 JBFRYOHKNOCQKQ-UHFFFAOYSA-N 243.350 3.823 30 20 BHED CC(C)C[C@H](C)COc1cccc(F)c1C#N 304175095 NAZCOASWWRJUQO-NSHDSACASA-N 235.302 3.758 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1sccc1OC 309726188 XZALZPUXCBCQOH-MNOVXSKESA-N 239.384 3.762 30 20 BHED C=CCC[C@@H](N[C@@H]1CCC(C)(C)C1)C1CC1 309830533 YKOGAAJNWGMFIK-ZIAGYGMSSA-N 221.388 3.900 30 20 BHED Cc1nc(N[C@@H]2CCCCC2(C)C)ccc1C#N 310966173 CKZSUSHTMNVRMO-CYBMUJFWSA-N 243.354 3.642 30 20 BHED CCC(CC)N[C@@H]1CCCc2cc(C#N)ccc21 341759364 UKWLGOCQWJQHAY-MRXNPFEDSA-N 242.366 3.714 30 20 BHED C=C(Cl)CN[C@H](C)c1cccc(C2CC2)c1 378792655 NXBZCACSYSFYDK-LLVKDONJSA-N 235.758 3.967 30 20 BHED C=CCC(C)(C)CN[C@H]1CC(C)(C)OC1(C)C 384053608 SAMGOGPMWANIIQ-LBPRGKRZSA-N 239.403 3.524 30 20 BHED CC(C)(C#N)CCCN1CC(C)(C)[C@H]2CCC[C@@H]21 386090287 PAUCNVFKDFQYIH-KBPBESRZSA-N 248.414 3.827 30 20 BHED C=CCCN(C)Cc1cnc2ccc(C)cc2c1 411614345 HDGDFYVEGDZVAO-UHFFFAOYSA-N 240.350 3.551 30 20 BHED CCC[C@@H](N[C@@H]1CC[C@H](C#N)C1)C1CCCC1 424317273 BQIREXNXUUYOKR-NWANDNLSSA-N 234.387 3.627 30 20 BHED C=CCCCCCS[C@H]1CCCOC1 447301328 JKVNZPRQKNQBHJ-LBPRGKRZSA-N 214.374 3.645 30 20 BHED CCCC[C@@H]1CCC[C@@H]1NCC1(C#N)CCC1 450731088 XDFMUKODYALGJR-KGLIPLIRSA-N 234.387 3.629 30 20 BHED CCC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C1CCC1 459744266 DLAZXSJYQNADKK-YUELXQCFSA-N 234.387 3.627 30 20 BHED C=CCC1(C(=O)Nc2cccc(CC)c2)CCC1 478256940 WGBBGPAUBCBWFX-UHFFFAOYSA-N 243.350 3.934 30 20 BHED Cc1cc(C)cc(/C=C/c2ncccc2C#N)c1 486102310 MIYNTMUVBHEVLT-AATRIKPKSA-N 234.302 3.741 30 20 BHED C=C(C)CCN(C)[C@H](C)c1ccc(F)c(F)c1 509840022 OVUAMPUOZDGHRI-LLVKDONJSA-N 239.309 3.924 30 20 BHED CC(C)(C)CSCc1ccc(C#N)s1 567750887 LIUDLQZDJPTVIE-UHFFFAOYSA-N 225.382 3.899 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)[C@H](C)CCCC 568811485 DJQMNTHPTMEPTD-TZMCWYRMSA-N 225.376 3.626 30 20 BHED CC[C@@H]1CCCC[C@H]1c1noc([C@H](C)CC#N)n1 596603541 WBSGEDVWXVQPBI-IJLUTSLNSA-N 247.342 3.771 30 20 BHED N#C[C@H](Sc1ccnc2ccccc12)C1CC1 601075688 HGAGFYKVYNZSFE-AWEZNQCLSA-N 240.331 3.629 30 20 BHED C=CC[C@@H](C)[C@@H](C)NC1(C2CCC2)CC1 652272514 OHHGEQOWNAIZEO-VXGBXAGGSA-N 207.361 3.509 30 20 BHED C=CC[C@@H]1CCCC[C@H]1NCCCOC(C)C 657819076 DVJDEUUVWYKVMJ-HUUCEWRRSA-N 239.403 3.526 30 20 BHED C=CCN(Cc1ccc(Cl)cn1)C(C)(C)C 661760465 UXQOQNDPHDJBQA-UHFFFAOYSA-N 238.762 3.522 30 20 BHED C=CCN(CCSc1ccccc1)C(C)C 735491390 JZDXNZZIBUJEKK-UHFFFAOYSA-N 235.396 3.675 30 20 BHED C=C(Cl)CN(Cc1ccccc1F)C(C)C 746650621 CRSAYEYKMRITFT-UHFFFAOYSA-N 241.737 3.789 30 20 BHED C#CCCN(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 760843925 RQLRWIMUXKBBMW-STQMWFEESA-N 249.785 3.787 30 20 BHED Cc1cccc(F)c1NN=Cc1ccc(F)cc1 769827608 FYMOSBHNJFSESI-UHFFFAOYSA-N 246.260 3.719 30 20 BHED CC[C@H](C)CON=C(C)c1coc(C(C)C)n1 793144500 DANIPXYHWPFNQV-JTQLQIEISA-N 238.331 3.585 30 20 BHED CC[C@@H](C)CON=C(C)c1ccccc1F 793159305 MUNDKMKOFRSGTP-SNVBAGLBSA-N 223.291 3.612 30 20 BHED Cc1ccoc1C/N=C/c1cc(Cl)ccc1O 793653141 DLUFHETXYOZEHF-VIZOYTHASA-N 249.697 3.566 30 20 BHED CCCC[C@@H](C)C(C)=NOCC(F)(F)F 807978541 WFEJGIPBYZXHII-MRVPVSSYSA-N 225.254 3.768 30 20 BHED CCSc1cccc(C=NOCC2CC2)c1 814241523 RGDQBGHFZFIIQP-UHFFFAOYSA-N 235.352 3.559 30 20 BHED Cc1ccc(NN=C2C[C@@H](C)CC[C@H]2C)nc1 834954193 KPIXCSDISLIOJP-CMPLNLGQSA-N 231.343 3.614 30 20 BHED C=CCC1(NCc2cccc(F)n2)CCCCC1 859746222 ZAHUDHLHGPVPMP-UHFFFAOYSA-N 248.345 3.589 30 20 BHED C=C(Cl)COc1cccc2ccc(C)nc12 916609415 GCYXHBNTLHUMLQ-UHFFFAOYSA-N 233.698 3.675 30 20 BHED C=C(Cl)CN(Cc1cccc(F)c1)C(C)C 920206134 CVRNASGHDPOJMJ-UHFFFAOYSA-N 241.737 3.789 30 20 BHED C=C(C)CCC(=O)N1CCC[C@H](C(C)(C)C)C1 1120731350 WKDYGACXXSKOEI-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED CCCC[C@@H](C)Nc1ccc(CC#N)cc1 37301879 BFLNSKXKIVPEMF-GFCCVEGCSA-N 216.328 3.743 30 20 BHED N#Cc1ccc(CSC2CCCC2)cc1 57406827 CNWASMCQVUINRQ-UHFFFAOYSA-N 217.337 3.734 30 20 BHED CC(C)(C#N)CCSc1ccccc1F 87324154 KQZFNWNAXQLJDD-UHFFFAOYSA-N 223.316 3.858 30 20 BHED CCCCCCCCN(CC)C[C@@H](C)C#N 88204060 COVKLNJXQUSGJD-AWEZNQCLSA-N 224.392 3.828 30 20 BHED C[C@H]1CCN(CC(C)(C)CCC#N)C[C@H](C)C1 91893518 PJEVEOSXHHBWKP-UONOGXRCSA-N 236.403 3.684 30 20 BHED C=CC[C@H](C)N[C@@H]1CCCc2ccccc21 116907837 KNJPTSOBRSQKLE-SWLSCSKDSA-N 215.340 3.618 30 20 BHED CCC[C@@H](NCC(C)(C)C#N)c1ccccc1 122310496 RGFCNWBOUNMLQT-CQSZACIVSA-N 230.355 3.667 30 20 BHED C=CCSCCN[C@@H](C)c1ccccc1C 129369018 WLSWDEQPLFFJRX-ZDUSSCGKSA-N 235.396 3.565 30 20 BHED C=CCCN(C)[C@@H](C)c1ccc(F)c(F)c1 132445746 OUWUCNKAEWCRHA-JTQLQIEISA-N 225.282 3.534 30 20 BHED CC[C@@H]1CCC[C@@H](NCc2ccc(C#N)s2)C1 135693321 ZMBRGWHCRVNIHH-VXGBXAGGSA-N 248.395 3.678 30 20 BHED C=C(C)CCNc1ccc(C#N)c(Cl)c1 168955531 JBZYPWMOFFOBCT-UHFFFAOYSA-N 220.703 3.590 30 20 BHED C#CCCCN[C@@H]1C[C@H](C)c2c(C)cccc21 179429380 HGDZXNQJIUNXIJ-DZGCQCFKSA-N 227.351 3.546 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCC[C@@H](C)C1 182592660 GDJDLDNLFIOQRM-HZSPNIEDSA-N 237.387 3.674 30 20 BHED C#CCCCN[C@H](C)c1cc(C)c(C)cc1C 224311818 BPXNAIQYMFWOGX-OAHLLOKOSA-N 229.367 3.676 30 20 BHED CCc1ccc(C(=O)/C=C\c2cncs2)s1 255387113 GIEYZXXAEDUFIW-HYXAFXHYSA-N 249.360 3.663 30 20 BHED C=CCCC(=O)N(C)[C@@H](C)c1ccc(C)cc1C 263676879 NKLLQASFHCFFJC-AWEZNQCLSA-N 245.366 3.789 30 20 BHED C=CCCC[C@H](C)Nc1cccc(F)c1C#N 302027428 QUYKOHKVKKXWLI-NSHDSACASA-N 232.302 3.854 30 20 BHED Cc1cc(C#N)cc(N[C@@H]2CCC(C)(C)C2)c1 308112323 ZIQVEZNQMBVMKA-CYBMUJFWSA-N 228.339 3.857 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1cc(C)oc1C 310032972 RSICMPDLYKNFIP-YPMHNXCESA-N 221.344 3.902 30 20 BHED Cc1ccc(CN(CC2(C#N)CC2)C(C)C)s1 343150928 RZMZQJJZAPPPCY-UHFFFAOYSA-N 248.395 3.571 30 20 BHED C[C@@H](SCC1(C#N)CC1)c1ccc(C#N)cc1 344487123 URQNYCHVSAFGNS-LLVKDONJSA-N 242.347 3.656 30 20 BHED N#Cc1cnccc1/C=C/c1cccc(Cl)c1 347426796 IKMFJJIVCBXFNC-SNAWJCMRSA-N 240.693 3.777 30 20 BHED C[C@@H](NCCCC#N)c1cc2cccc(F)c2o1 355727479 CADFAJCCEZMKBB-SNVBAGLBSA-N 246.285 3.526 30 20 BHED CC[C@@H](CC#N)NC[C@@H](C)CCc1ccccc1 358283322 UGMKFPRTIBRAKH-HOCLYGCPSA-N 244.382 3.537 30 20 BHED C[C@@H]1CC(C)(C)C[C@H]1NCc1ccc(C#N)s1 421349323 IHXFCSURSVPQEP-ZWNOBZJWSA-N 248.395 3.534 30 20 BHED CC(C)CC[C@H]1CCC[C@H]1N[C@@H]1CC[C@H](C#N)C1 424321109 GREGSLVVMTWMML-ZJIFWQFVSA-N 248.414 3.873 30 20 BHED Cc1cc(CNCC(C)(C)C(C)C)ccc1C#N 444003387 INKZLUANHGFCDY-UHFFFAOYSA-N 244.382 3.639 30 20 BHED C=CCCCCCSc1ncc(C)cn1 447286779 KYJURAZIYLDUQP-UHFFFAOYSA-N 222.357 3.624 30 20 BHED C=C(C)CCNCc1ccc(SC)s1 449474777 KCPSYKDUHNZAMF-UHFFFAOYSA-N 227.398 3.526 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1ccsc1C 450424087 KBMCGDXTHLEQBY-SNVBAGLBSA-N 237.368 3.531 30 20 BHED C=CCCCC(=O)NCC[C@@H]1CCCC[C@H]1C 479616691 JWDPTVIEOIAEDK-KGLIPLIRSA-N 237.387 3.675 30 20 BHED CC#CCN1CCC[C@H]1c1ccc(Cl)cc1 525120409 USABJWSAABQRKG-AWEZNQCLSA-N 233.742 3.500 30 20 BHED C=CCNc1ccccc1O[C@@H](C)C(F)(F)F 561856012 LMJFEZFASRIODA-VIFPVBQESA-N 245.244 3.614 30 20 BHED C=C(CC)CN[C@H](C)[C@@H](C)c1ccc(OC)cc1 569649227 JOWNDGLMUDWXDB-ZIAGYGMSSA-N 247.382 3.743 30 20 BHED CC(C)(C)[C@H]1CCC[C@H](NCC2(C#N)CC2)CC1 570671903 XYOIUCFXAFXEDN-KBPBESRZSA-N 248.414 3.875 30 20 BHED Cc1ncccc1CSc1cccc(C#N)c1 589255680 BGTJYAXGKLYQFP-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C[C@H](CCC#N)CN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 602512773 NFFWPDIHGVAWID-KLHDSHLOSA-N 248.414 3.875 30 20 BHED C=CC(C)(C)C(=O)N1CC[C@H](C2CCCCC2)C1 618188167 VDKRPTMEJHPNEV-AWEZNQCLSA-N 249.398 3.627 30 20 BHED C=CCN(CCCC)[C@@H](C)c1ccc(C)o1 621317529 ICYHIRVGVIWVQN-ZDUSSCGKSA-N 221.344 3.937 30 20 BHED C=CCN(Cc1sc(C)nc1C)C(C)(C)C 661756648 VBBOLJYGNRSXKV-UHFFFAOYSA-N 238.400 3.546 30 20 BHED C#C[C@H](NC(=O)CCC1CCCCC1)C(C)(C)C 702237328 ZFPNJPRJFZLHLX-AWEZNQCLSA-N 249.398 3.511 30 20 BHED N#CCCCCN[C@@H]1CC[C@@H]2CCCC[C@H]2C1 723669952 QTHPUEIJRBLDOJ-SOUVJXGZSA-N 234.387 3.629 30 20 BHED Cc1cc(C)cc(NN=C2CCC[C@H]2C)c1 729143699 KZSHRCPSDVGAPW-GFCCVEGCSA-N 216.328 3.891 30 20 BHED CC[C@@H]1CCC[C@@H](/N=C/c2ccccc2O)C1 740763212 BZZHENPWYHIBOD-XWIFYCKRSA-N 231.339 3.780 30 20 BHED C[C@H]1CC(C)(C)CCC1=NOCc1cccnc1 746576706 MNXBAVLFETYCHQ-LBPRGKRZSA-N 246.354 3.800 30 20 BHED C=CC[C@@H](N[C@@H](C)c1ccco1)c1ccncc1 766017816 DWWSGSPFCPEDSY-GXTWGEPZSA-N 242.322 3.643 30 20 BHED Cc1ccc(F)c(NN=Cc2cc(C)oc2C)c1 767900889 OBTNHROPLCXVLS-UHFFFAOYSA-N 246.285 3.790 30 20 BHED CC(=NOCC(C)C)c1csc(C(C)C)n1 768784135 LVARGBNJYDBATP-UHFFFAOYSA-N 240.372 3.663 30 20 BHED C=CCCC[C@@H](C)NC(=S)Nc1ccccc1 776203965 SZBUOEZLLLGSJK-GFCCVEGCSA-N 248.395 3.718 30 20 BHED C#CCCCCCC(=O)Oc1ccc(C)c(C)c1 779716180 UKQVAOMYXOKCAD-UHFFFAOYSA-N 244.334 3.793 30 20 BHED CC(=NN[C@@H](C)C(C)(C)C)c1sccc1C 793116794 UTGALJSOYLKPNN-NSHDSACASA-N 238.400 3.805 30 20 BHED CC[C@@H](C)CON=C1CCC2(CC1)CC2 793146334 QFOQJISVHTXMFE-LLVKDONJSA-N 209.333 3.759 30 20 BHED CC(C)[C@H]1CCCCC1=NNc1cccc(F)n1 795007990 BFRHQDYSGNBZTB-LLVKDONJSA-N 249.333 3.835 30 20 BHED FC(F)(F)[C@H]1CCCC(=NOCCC2CC2)C1 814245570 YDMCZFNIWIHCIA-JTQLQIEISA-N 249.276 3.912 30 20 BHED C[C@@H](C=NOC1CCC1)C1CCCCC1 814937224 YPRAIVNTAGNERW-NSHDSACASA-N 209.333 3.758 30 20 BHED CC[C@H](C)CON=C(C)CCCc1cccnc1 834981280 LNIDOWOEFOKZHC-ZDUSSCGKSA-N 248.370 3.843 30 20 BHED N#C[C@H]1CCC[C@H](OC(=O)C2=CCCCCC2)C1 839059305 OJSRIURPDPTQNL-JSGCOSHPSA-N 247.338 3.502 30 20 BHED Cc1cccnc1NN=C1CCCCC[C@H]1C 844593246 NGNZKICGIVMCPU-LLVKDONJSA-N 231.343 3.758 30 20 BHED CCCCC[C@@H](C)NCCc1ccc(C#N)cc1 850485524 KRPJLSIYZKTUDO-CQSZACIVSA-N 244.382 3.659 30 20 BHED C#CCCCCCCN[C@@H](C1CC1)C(F)(F)F 877535004 JGERMRSOXRQPRU-LBPRGKRZSA-N 247.304 3.501 30 20 BHED N#Cc1ccccc1CNc1ccc(Cl)cc1 20051203 NTWXSTWLTGCFHB-UHFFFAOYSA-N 242.709 3.824 30 20 BHED Cc1ccc2nc(SCCCCC#N)[nH]c2c1 57322063 LMQNKFABKIYZFZ-UHFFFAOYSA-N 245.351 3.657 30 20 BHED C[C@@H](CC#N)N(C)Cc1ccc(C(C)(C)C)cc1 57846677 BKFREPADIJOWLU-ZDUSSCGKSA-N 244.382 3.718 30 20 BHED C[C@@H](c1cccc(Cl)c1)N1CCC(C#N)CC1 57872865 FMQCIIMBSWFLLQ-NSHDSACASA-N 248.757 3.637 30 20 BHED C[C@@H](c1ccccc1F)N(C)CCCCC#N 61559618 QIPGMCVUTANLFD-LBPRGKRZSA-N 234.318 3.512 30 20 BHED N#Cc1cccc(N[C@H]2CCC[C@H](C3CC3)C2)c1 81623959 NKRPCDPTYQSGDZ-HOCLYGCPSA-N 240.350 3.939 30 20 BHED CCC1(CC)CCN(Cc2cccc(C#N)c2)C1 94802930 VENSWNXXOLFBPV-UHFFFAOYSA-N 242.366 3.570 30 20 BHED C=CC1CCN(C(=O)[C@@H](CC)CCCC)CC1 110365770 ZGJRJZINHBYKGZ-AWEZNQCLSA-N 237.387 3.627 30 20 BHED C=CCCN1CCc2sccc2[C@@H]1CC 132531229 KIWPATWYNURUPA-LBPRGKRZSA-N 221.369 3.633 30 20 BHED CSc1ccc(NCC(C)(C)CCC#N)nc1 150879923 MAFTZIIQPORISU-UHFFFAOYSA-N 249.383 3.545 30 20 BHED Cc1ccc([C@@H](C)N(C)CCC(C)(C)C#N)cc1 157693696 QJPNVVSYWZRWKF-CQSZACIVSA-N 244.382 3.928 30 20 BHED C=CCN(C)C(=O)[C@@H](CCC)CC1CCCC1 161390536 YHIJIPQRWACUMR-AWEZNQCLSA-N 237.387 3.627 30 20 BHED C[C@@H](CC1CCC1)Nc1ccc(OCC#N)cc1 165278611 XFKGWZPBUCBZGI-LBPRGKRZSA-N 244.338 3.580 30 20 BHED Cc1cc(C)c([C@H](C)NCCCCC#N)cc1C 178649597 RAFFCNSPWKLALG-HNNXBMFYSA-N 244.382 3.956 30 20 BHED Cc1cccc(NCCCC(C)(C)C#N)c1F 182327794 AACOZSWMOTWKRS-UHFFFAOYSA-N 234.318 3.876 30 20 BHED CCCCCCCCCN[C@@H]1CCO[C@@H](C)C1 223017088 SKXJIUXXHLSZBG-LSDHHAIUSA-N 241.419 3.894 30 20 BHED CCCCC[S@](=O)CCCCC(C)(C)C#N 233020612 IFZHQLQTTRZABK-INIZCTEOSA-N 243.416 3.645 30 20 BHED C=CC[C@H](CC)NC(=O)c1coc2ccccc12 281129034 TYLIFMSVTDGILR-NSHDSACASA-N 243.306 3.517 30 20 BHED C=C(Br)CSc1ccc(F)cc1 306649525 CUHHURPWXOQSOR-UHFFFAOYSA-N 247.132 3.826 30 20 BHED C=C(C)CSCCCOC(C)(C)C 308329096 JHZQYABGQMNMDH-UHFFFAOYSA-N 202.363 3.501 30 20 BHED CC(C)(C)OCCCCNc1cccc(C#N)c1 352547443 GSDIZDUUJKPCEI-UHFFFAOYSA-N 246.354 3.565 30 20 BHED C=CCCCN(C)[C@H]1C[C@H]1c1cccc(F)c1 411290300 IMWSLCLEAWZLOR-GJZGRUSLSA-N 233.330 3.580 30 20 BHED C[C@@H](CSCCC#N)C1CCCCC1 413017422 NXUBGCKIGNNVCK-NSHDSACASA-N 211.374 3.850 30 20 BHED C=CCCN(C)C(=O)C[C@H](C)C1CCCCC1 467051601 QHAIMLOMSQTVEU-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED Cc1ccc(C[C@H](C#N)SCC(C)C)cc1 603452228 JYLWUGDCASEYRT-CQSZACIVSA-N 233.380 3.819 30 20 BHED C=CCCN1CCS[C@@H](C)[C@H]1c1ccccc1 606898094 HLONWDIJGTWPBK-ZFWWWQNUSA-N 247.407 3.741 30 20 BHED C=C(C)CN1CCC[C@@H]1CCc1ccccc1 613474524 WNCQKVVDZBQNRC-MRXNPFEDSA-N 229.367 3.660 30 20 BHED C=CCC1(N[C@H](C)CCC(C)C)CCOCC1 668551905 ZPTNVFRAHWTRRR-CQSZACIVSA-N 239.403 3.526 30 20 BHED C=C(C)CCOC(=O)[C@H](C)c1ccc(CC)cc1 744304478 OTXRMJDVHHVJFN-CYBMUJFWSA-N 246.350 3.862 30 20 BHED Cc1ccc(NN=Cc2cc(F)ccc2C)cc1 777880090 ZVDVAYHTGHGKIZ-UHFFFAOYSA-N 242.297 3.889 30 20 BHED Cc1cccc(C=NNCCC(C)(C)C)c1C 782908807 ZWRUKVTTXBNYTH-UHFFFAOYSA-N 232.371 3.663 30 20 BHED CCCCCC(C)=NNc1ncccc1C 790192816 FJNYVQCMIPUFCE-UHFFFAOYSA-N 219.332 3.758 30 20 BHED CCCCCCCCN1CC[C@@H](OC)C[C@H]1C 799343159 BGHSWZSITKQBIJ-HUUCEWRRSA-N 241.419 3.846 30 20 BHED CCCCCC(C)(C)CN[C@H]1CC[C@@H](C#N)C1 799719040 DYMNMXFXIVOIAB-KGLIPLIRSA-N 236.403 3.875 30 20 BHED Cc1cc(F)ccc1NN=C1CCC12CCC2 799884514 GIZNXVWXVVYGAU-UHFFFAOYSA-N 232.302 3.866 30 20 BHED CC[C@@H]1CC[C@@H]1Nc1ccccc1O[C@@H](C)C#N 806158356 LBORLPQZUROIGQ-XQQFMLRXSA-N 244.338 3.578 30 20 BHED Cc1ccc(S[C@@H]2CC[C@H](C#N)C2)s1 830058013 XRNKLCVOABXMFP-VHSXEESVSA-N 223.366 3.841 30 20 BHED C=C(C)CON=C(C)CCCC(F)(F)F 844618192 LEGZJTBFFWNMTI-UHFFFAOYSA-N 223.238 3.688 30 20 BHED CCCCCCCCCC(=O)Nc1ccon1 920967387 KNWBBUZGZAEMIQ-UHFFFAOYSA-N 238.331 3.754 30 20 BHED C=C(CC)C(=O)Nc1ccccc1C(C)C 1123588353 HBNRARDWONQRJO-UHFFFAOYSA-N 217.312 3.715 30 20 BHED CO[C@H]1CCC[C@@H](Sc2ccc(C#N)cc2)C1 1458919994 VWUDGIMMZRPZIR-GXTWGEPZSA-N 247.363 3.608 30 20 BHED CC[C@@H]1CCCC[C@@H]1CN[C@H]1CCC[C@@H](C#N)C1 1560860532 PGJKMFIULROMGG-FPCVCCKLSA-N 248.414 3.875 30 20 BHED CSC(C)(C)CCNc1cccc(C#N)c1C 1664258400 YARUCNDPEDYEEI-UHFFFAOYSA-N 248.395 3.810 30 20 BHED Cc1ccc(C(=O)C=Cc2ccccc2)cc1 1857791622 SSXZWAYXQSKEMV-UHFFFAOYSA-N 222.287 3.891 30 20 BHED N#Cc1ccc(SC2CCCC2)cc1 59514879 JDKSOTPITDUADF-UHFFFAOYSA-N 203.310 3.593 30 20 BHED CN(CCCC#N)c1ccc2ccccc2c1 72822736 NUKVENMRLOUDGR-UHFFFAOYSA-N 224.307 3.580 30 20 BHED CCc1ccc(NCCC(C)(C)C#N)cc1 83637893 FNCWKVYJLWBELS-UHFFFAOYSA-N 216.328 3.601 30 20 BHED CCCCCCCCC(=O)N(C)CCC 121802427 WSLKLOIBNLCODA-UHFFFAOYSA-N 213.365 3.605 30 20 BHED C=C[C@H](C)N[C@H](CC)c1cc(F)ccc1F 122960521 KEJSJTMWAHQSCX-TVQRCGJNSA-N 225.282 3.580 30 20 BHED C=C[C@H](C)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 157256540 XDIHCRAYGXBHEP-IGQOVBAYSA-N 207.361 3.509 30 20 BHED C=C(C)CN[C@@H](CC)c1ccc(C)cc1 160633060 ROUXDAMQBRHVJZ-AWEZNQCLSA-N 203.329 3.612 30 20 BHED C=CC[C@H](C)N[C@H](CC)Cc1ccccc1 161637923 YDMFTTRVWXJKKM-DZGCQCFKSA-N 217.356 3.562 30 20 BHED C=C(Cl)CN[C@@H](CC)c1ccc(F)cc1 161749808 KDALGUXPULAEBN-LBPRGKRZSA-N 227.710 3.619 30 20 BHED CC(C)(CCC#N)CNc1ccc(F)c(F)c1 164779474 LZJXAVJCHAYGIO-UHFFFAOYSA-N 238.281 3.707 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(Cl)cc1 168045634 SANGCMNNSFTFLT-NSHDSACASA-N 223.747 3.957 30 20 BHED C[C@H]1C[C@@H](C)CN([C@@H](C)c2cccc(C#N)c2)C1 189343871 DEYMRNOTCBLISD-MJBXVCDLSA-N 242.366 3.597 30 20 BHED Cc1cccc([C@H](NCCC#N)C(C)(C)C)c1 299144543 WOFGEPMXAKCWQW-AWEZNQCLSA-N 230.355 3.586 30 20 BHED C=CC[C@@H](CC)N[C@@H]1CCC12CCCC2 309212598 SZYJWOMJKGJXKX-CHWSQXEVSA-N 207.361 3.654 30 20 BHED C=C(C)CNc1ccc(C)c(OC(F)F)c1 381250259 PEWIYYURNLHXCK-UHFFFAOYSA-N 227.254 3.584 30 20 BHED C=CCCC1(C(=O)N[C@@H](C)CCC=C(C)C)CC1 452545532 WNVGNZYFUOLJOB-AWEZNQCLSA-N 249.398 3.984 30 20 BHED CC/C=C\CCNc1cccc(CC#N)c1 453148786 PXLOEBDVLNFGMA-ARJAWSKDSA-N 214.312 3.521 30 20 BHED C=CCCCC[C@@H](C)NCc1ccc(C)c(C)n1 459712873 NQBMQYWZRCETJH-CQSZACIVSA-N 246.398 3.923 30 20 BHED C=C(C)CCN[C@@H](C)c1cccc(OCC)c1 509034433 SWAVUQIPYIMLRV-ZDUSSCGKSA-N 233.355 3.702 30 20 BHED C=CCCCCCN(C)C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 523512220 PLRDDNGNCJOOMO-SOUVJXGZSA-N 249.398 3.627 30 20 BHED C=CCCCN1CCCC[C@H]1[C@@H](C)CC 525327909 NTFMYZHAWNMVPE-KBPBESRZSA-N 209.377 3.853 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)C[C@H]1CCCO1 557384691 CXVBOWGVZZYBCU-SOUVJXGZSA-N 239.403 3.669 30 20 BHED N#C[C@@H](SCC1CCCCC1)C1CC1 601075997 JPPSXMXGECEQAD-GFCCVEGCSA-N 209.358 3.602 30 20 BHED C[C@H](CCC#N)CNCCCCC(C)(C)C 602537543 FJEHOBSYOPEPEH-CYBMUJFWSA-N 224.392 3.732 30 20 BHED C=CCSCCOc1cccc(CC)c1 609633986 QAADCWNDSFYEJU-UHFFFAOYSA-N 222.353 3.547 30 20 BHED C=CCN(CC=C)Cc1cscc1Cl 678120832 QJAJEENASSSVHH-UHFFFAOYSA-N 227.760 3.576 30 20 BHED C#CCCCCC(=O)N(CCCC)CCCC 710327677 JEWYWRCHTYLGKT-UHFFFAOYSA-N 237.387 3.609 30 20 BHED C#CCCCN(Cc1ccccc1F)CC(C)C 766894998 HVFGEEBULKBRIC-UHFFFAOYSA-N 247.357 3.697 30 20 BHED CCCCCCC=NNc1nccnc1C(C)C 773095639 ZOXLGOZSUFVZDA-UHFFFAOYSA-N 248.374 3.968 30 20 BHED C#CC[C@H](N[C@@H]1CCCC[C@H]1C)c1ccccc1 773113182 CDTUGGVXZSJJRG-OIISXLGYSA-N 241.378 3.919 30 20 BHED CC1(C)CCCC[C@H]1NN=C1CC2(CCC2)C1 773125135 NQVNQHLEPJJKIP-CYBMUJFWSA-N 234.387 3.865 30 20 BHED C=C(CC)COC(=O)C1(c2cccc(C)c2)CC1 773498249 GQPJVDKOPHDTTJ-UHFFFAOYSA-N 244.334 3.536 30 20 BHED CC1(C)CCCCC1=NNc1ccnc(F)c1 781129118 BZGFELNBQRBGCE-UHFFFAOYSA-N 235.306 3.589 30 20 BHED CCCCCCCN[C@]1(C)CCO[C@H]1C1CC1 784588808 PRVKXKXWOMOZHK-LSDHHAIUSA-N 239.403 3.504 30 20 BHED CC[C@H](C)CON=C[C@H]1CCc2ccccc21 793162736 BWRQKVWPLGYFRB-GXTWGEPZSA-N 231.339 3.765 30 20 BHED Clc1ccccc1CNN=C1CCC12CCC2 799876358 OJOVGLSYAUBXSU-UHFFFAOYSA-N 248.757 3.750 30 20 BHED C=C(CNC(=O)/C=C(\C)CCC)c1ccccc1 807797568 IGCRTTLIOUGBOD-ACCUITESSA-N 243.350 3.562 30 20 BHED C#CCC(C)(C)c1nc(C2(CC)CCCC2)no1 810310522 WEJXRZNCCXCCSD-UHFFFAOYSA-N 246.354 3.592 30 20 BHED CC(C)CON=C[C@@H](C)C1CCCCC1 814883857 DPOTWCYAYHYECC-GFCCVEGCSA-N 211.349 3.861 30 20 BHED C[C@H](C=NNc1cccc(F)n1)C1CCCCC1 814930260 VPGVKRVWQWWKKP-LLVKDONJSA-N 249.333 3.835 30 20 BHED Clc1ccc(NN=C2CCCC23CCC3)cn1 834960521 RTHASPAHSWSHFX-UHFFFAOYSA-N 249.745 3.857 30 20 BHED CC(C)ON=CC[C@H](C)c1ccccc1 835000183 KRFAZNMGSCZEBY-LBPRGKRZSA-N 205.301 3.591 30 20 BHED C#CCC[C@@H](C)OC(=O)C[C@H](C)c1ccccc1 839032637 RSLPGDHNJKNURS-UONOGXRCSA-N 244.334 3.525 30 20 BHED C=C1CC(c2noc(-c3ccsc3C)n2)C1 896877243 OTKULARBEXKJNY-UHFFFAOYSA-N 232.308 3.540 30 20 BHED C[C@H]1CCC[C@H]([C@H](C)Nc2ncccc2C#N)C1 1186713329 LMNWDFBAHBRDGF-AVGNSLFASA-N 243.354 3.580 30 20 BHED C=CCC(C)(C)c1nnc(CC2CCCC2)o1 1258593592 AWZUXUGDPUEYFB-UHFFFAOYSA-N 234.343 3.656 30 20 BHED Cc1cccc(OCc2ccc(C#N)cc2F)c1 19804887 AYAJZUJFGIUFBT-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=CCN[C@@H](C)c1cc(Cl)ccc1Cl 19875861 JTTBXHWQPOMSDO-QMMMGPOBSA-N 230.138 3.830 30 20 BHED C=CCN1CCC[C@@H]1c1ccc(Cl)cc1 45007794 XTLJTQDLMDJWQD-CYBMUJFWSA-N 221.731 3.663 30 20 BHED C[C@@H](Nc1ccc(OCC#N)cc1)C1CCCC1 54077600 XRJDEQGZMJZYFW-GFCCVEGCSA-N 244.338 3.580 30 20 BHED C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCC(C)(C)C#N 131716931 BFEBGNUKVGZHGK-RDBSUJKOSA-N 234.387 3.579 30 20 BHED C=C(CNCC(CC)CC)c1ccccc1 159260066 NQXIZHUVLQBTEE-UHFFFAOYSA-N 217.356 3.726 30 20 BHED Cc1ccnc(N[C@@H](C)CCCC(C)C)c1C#N 162040583 NMZRFAQZGAAOPQ-ZDUSSCGKSA-N 245.370 3.888 30 20 BHED CCC1(CN[C@H]2CCC[C@@H](C#N)C2)CCCC1 185855939 RFVROLUKCSCRTI-KGLIPLIRSA-N 234.387 3.629 30 20 BHED C=CCC1(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)CCC1 191867259 KESIWXDFJUKGLL-UONOGXRCSA-N 249.398 3.770 30 20 BHED CCCCCCCCCN[C@H]1CCOC[C@@H]1C 192128655 LFYMWIJVDGEHGN-GJZGRUSLSA-N 241.419 3.752 30 20 BHED CCc1ccc(/C=C\C(=O)c2ccncc2)cc1 254985327 VNFQSKWPCJGIOR-FPLPWBNLSA-N 237.302 3.540 30 20 BHED C=CCCCC(=O)N[C@@H](CC)c1ccccc1 267109496 QWCMXVLBEVLTDN-AWEZNQCLSA-N 231.339 3.610 30 20 BHED C=CCC(C)(C)CNCCCc1cnccc1C 293822113 FXQUMIIZNFBBEZ-UHFFFAOYSA-N 246.398 3.515 30 20 BHED CC1(C)CCC[C@@H](c2noc(C(C)(C)C#N)n2)C1 340084127 ZDLZHUHFKJMRTL-SNVBAGLBSA-N 247.342 3.555 30 20 BHED C=CC(C)(C)CNCc1ccc2cnccc2c1 384917430 DLXDXQINLGAPSO-UHFFFAOYSA-N 240.350 3.537 30 20 BHED C=C(CC)CN[C@@H](c1ccccc1)C1CC1 390583894 XPKHYGZAPAHPRD-HNNXBMFYSA-N 215.340 3.694 30 20 BHED CC1(C)CCC(CN2CCC(CC#N)CC2)CC1 397204746 YLJBMBXERZUCFU-UHFFFAOYSA-N 248.414 3.828 30 20 BHED C=CCOCCCS[C@@H](C)CCC 419481752 XPDPQHKBSVWKNL-NSHDSACASA-N 202.363 3.501 30 20 BHED CC(C)=CCC[C@H](C)NCc1ccc(C#N)s1 449444063 XZQLRPJMSYSOJT-LBPRGKRZSA-N 248.395 3.844 30 20 BHED C=C(C)CCNCc1cc2cc(F)ccc2o1 449478944 SZYWMUPBZFYDBA-UHFFFAOYSA-N 233.286 3.628 30 20 BHED C=CCC1(C(=O)N[C@H]2C=CCCC2)CCCCC1 450108236 UKSDEEMQSTXYTK-AWEZNQCLSA-N 247.382 3.738 30 20 BHED C=CCOCCCN1CC[C@H](C)c2ccccc21 470778995 JITZXXWPUXXNRD-AWEZNQCLSA-N 245.366 3.593 30 20 BHED C=CCCC(=O)N1CCC[C@H]1CCCCC 489301753 SFOJNBBTSUWLJD-CYBMUJFWSA-N 223.360 3.524 30 20 BHED C=CCN(C)C[C@H](C)c1cccc(Cl)c1 526116191 SYGABVZJHXMASE-NSHDSACASA-N 223.747 3.561 30 20 BHED CCCCNc1cc(C#N)ccc1OC(C)C 530916733 IGCONTOOQCSIOF-UHFFFAOYSA-N 232.327 3.557 30 20 BHED C=C(CC)COc1c(Cl)cccc1[N+](=O)[O-] 540194301 SFKVOPPCECZFLB-UHFFFAOYSA-N 241.674 3.593 30 20 BHED C=C(C)CCNc1cc(OC)ccc1OC(C)C 554783636 MTTLOBMEPLENLS-UHFFFAOYSA-N 249.354 3.861 30 20 BHED C=CCCCC[C@H](C)NC1C[C@@H](C)O[C@H](C)C1 582955765 HZGDYFQGBKSYQL-BFHYXJOUSA-N 239.403 3.667 30 20 BHED C=CC[C@H]1CCCN(C(=O)[C@H]2CCCC2(C)C)C1 617780118 OLYGVHFKRORAMZ-UONOGXRCSA-N 249.398 3.627 30 20 BHED CCCCCCC[C@H](C)CNC(=O)N(C)CC 732922605 OFAXEARULSOGAP-ZDUSSCGKSA-N 242.407 3.644 30 20 BHED CCCCCCCC(C)=NNCC(F)F 740617707 FMHNFQUNOXUESQ-UHFFFAOYSA-N 220.307 3.578 30 20 BHED CCCCCCCOC(=O)c1cncc(C)c1 745506679 HWCMQRVKASLQCF-UHFFFAOYSA-N 235.327 3.517 30 20 BHED C=CCCC(=NNc1ccc(Cl)nc1)C1CC1 747764058 LKTZZNLHMSAHFO-UHFFFAOYSA-N 249.745 3.879 30 20 BHED CCCCCCCN(C)Cc1cccc(O)c1 748817164 KYDKTZIAECOURF-UHFFFAOYSA-N 235.371 3.794 30 20 BHED CCCCCCCCCNC(=O)CC(C)(F)F 760107736 VLIUEWBXYUJGQM-UHFFFAOYSA-N 249.345 3.899 30 20 BHED C#CCCCOc1ccc(-c2ccccc2)nc1 778037746 XCISBSAQKGUDGC-UHFFFAOYSA-N 237.302 3.541 30 20 BHED C=CCC(CC=C)C(=O)Oc1ccc(C)c(F)c1 789660127 NCELAEHWQAYMEG-UHFFFAOYSA-N 248.297 3.808 30 20 BHED Cc1ccsc1C=NNCC1(C)CCCC1 793084474 OVZDUHMOQHRJMG-UHFFFAOYSA-N 236.384 3.560 30 20 BHED CC(C)C[C@@H](C)C=NOCc1ccccc1 799106418 GTJIKYHBOBIMNN-CYBMUJFWSA-N 219.328 3.871 30 20 BHED C#CCCCCC(=O)N(C)[C@H](C)C1CCCCC1 801094381 UYRILYNZYHXCJG-CQSZACIVSA-N 249.398 3.607 30 20 BHED C=CCCCCCCNC(=O)C1CCCCC1 805218768 LSTMANMYNZRYGL-UHFFFAOYSA-N 237.387 3.819 30 20 BHED FC(F)CON=C1CC[C@@H](c2ccccc2)C1 814904127 SWYBYDSECPLRKK-LLVKDONJSA-N 239.265 3.592 30 20 BHED CC[C@H](C)NN=C1CCCC12CCCCC2 834971793 ATVALZVMXRYZON-LBPRGKRZSA-N 222.376 3.865 30 20 BHED CC(=NNc1cccc(F)n1)[C@H]1CCCC[C@H]1C 834979487 JQOZPRINVKKDSP-PWSUYJOCSA-N 249.333 3.835 30 20 BHED CCOc1ccc(S[C@H](C)CCC#N)cc1 840118564 FOOQQNYELJZAPC-LLVKDONJSA-N 235.352 3.870 30 20 BHED CCCCCCCC(=O)N1CCC[C@H](CF)C1 881592285 CUTNNJVXILLRCF-CYBMUJFWSA-N 243.366 3.555 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1c[nH]c2ccccc12 888115985 CRNQJKJTFQSONT-NSHDSACASA-N 242.322 3.709 30 20 BHED CCC(C)(C)CC(=O)O[C@H](CC#N)c1ccco1 1123369860 PVNQPIMNNUMUDX-GFCCVEGCSA-N 249.310 3.604 30 20 BHED CC(=NOC(C)(C)C)c1ccc2ccccc2n1 1319684492 GHXZJIOLIMAWES-UHFFFAOYSA-N 242.322 3.774 30 20 BHED C=C(Cl)CN(CCC)c1ccccc1F 1473644760 NVYSRGHLRIQYHC-UHFFFAOYSA-N 227.710 3.795 30 20 BHED Cc1cc(Nc2ccc(C3CC3)cc2)ncc1C#N 1651695419 JPFIMLZHBACDIZ-UHFFFAOYSA-N 249.317 3.883 30 20 BHED N#C[C@H]1CCCN(CCC2CCCCCC2)C1 1660079257 OYTDGIKHEZFHHD-OAHLLOKOSA-N 234.387 3.582 30 20 BHED CCC[C@H](CC)N[C@@H](C)c1ccc(C#N)cc1 50400438 ZSAOPTWHBQQBLR-WFASDCNBSA-N 230.355 3.788 30 20 BHED N#CCCCCSc1ncccc1Cl 70614917 KBGABOHEJZFWPF-UHFFFAOYSA-N 226.732 3.521 30 20 BHED CC[C@H](C)C[C@H](C)Nc1ccc(C#N)cc1 83865173 GEQGJXSJCKKFHZ-RYUDHWBXSA-N 216.328 3.795 30 20 BHED C=CCCCCCN(C)Cc1cccnc1C 93498063 OHFMOXTULJIMHF-UHFFFAOYSA-N 232.371 3.568 30 20 BHED C[C@H]1CSc2ccccc2N1CCCCC#N 150836104 RDHQERAERIOLRD-LBPRGKRZSA-N 246.379 3.681 30 20 BHED C#CCCCCNC(=O)[C@H](CC)CC1CCCC1 156171015 YANVDMGCZLHDCT-OAHLLOKOSA-N 249.398 3.513 30 20 BHED C=CCNC(=O)N(CCCCC)[C@@H](C)CCC 176927566 BHCVRNZUOAQUSM-ZDUSSCGKSA-N 240.391 3.563 30 20 BHED C=C(C)CN(CC)Cc1cc(C)sc1C 195686770 PXLVAMJQSDZVPU-UHFFFAOYSA-N 223.385 3.763 30 20 BHED C[C@@H]1CCC[C@@H](C)N1CCCCC(C)(C)C#N 235348338 BTBZNJWXBCRVGA-ZIAGYGMSSA-N 236.403 3.969 30 20 BHED C=CCC(CC=C)C(=O)N(CCCC)C1CC1 268188595 VKUVOHJOWRZPLW-UHFFFAOYSA-N 235.371 3.546 30 20 BHED C[C@H](CCC#N)N[C@H](C)c1cc2ccccc2o1 276632518 WIRLIPZVOQIEBW-VXGBXAGGSA-N 242.322 3.776 30 20 BHED Cc1ccc(S[C@H]2CC[C@H](C#N)C2)cc1 278657980 WTAMVQJORCRVMJ-AAEUAGOBSA-N 217.337 3.779 30 20 BHED C=CC[C@@H](CC)NCc1sccc1Cl 308615579 RSIAHXLNLYXJRX-SECBINFHSA-N 229.776 3.846 30 20 BHED CC[C@H]1CCCC[C@@H]1C(O)=Nc1ccnnc1C 330137516 UXTSNTQZHDHSJJ-RYUDHWBXSA-N 247.342 3.589 30 20 BHED C=C(C)CCc1noc(/C=C\c2ccsc2)n1 351623485 QXJDBEPMBBTVKK-XQRVVYSFSA-N 246.335 3.810 30 20 BHED N#CCCCSCc1cc2ccccc2o1 359073781 WDVSNDPMJDFXPD-UHFFFAOYSA-N 231.320 3.970 30 20 BHED C=C[C@@H](C)NCCc1ccc(C(C)C)cc1 381741649 PAYVEWCYYAXMSF-CYBMUJFWSA-N 217.356 3.517 30 20 BHED C=C(C)CCN[C@H](CC)Cc1ccccc1 386722804 SMHWFFINZYFTAP-OAHLLOKOSA-N 217.356 3.564 30 20 BHED CCC(CC)(CC)CNCc1cccc(C#N)c1 391114837 FFIWFXMULKCITR-UHFFFAOYSA-N 244.382 3.864 30 20 BHED C=C(C)CCNc1ccc(C(=O)CC)cc1 395270483 LZBBIDVWVCWAEO-UHFFFAOYSA-N 217.312 3.657 30 20 BHED C=CCCSCc1cccc(C(C)=O)c1 419431699 XQTZQRFUIGPENC-UHFFFAOYSA-N 220.337 3.699 30 20 BHED C=CC[C@H](C)[C@H](C)Nc1ccc(F)c(OC)c1 437063160 FKRRUTKRYSADHS-QWRGUYRKSA-N 237.318 3.847 30 20 BHED CC#CCN(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 441333392 SJDKAMKVNTUFBT-IRXDYDNUSA-N 241.378 3.586 30 20 BHED CCSc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 442862084 ZJJLVIPHBLJVDN-DGCLKSJQSA-N 246.379 3.903 30 20 BHED C=CC(C)(C)CNC(=O)[C@@H]1CCCC[C@H]1CC 452776944 SYOAGXBXJWEPLH-CHWSQXEVSA-N 237.387 3.531 30 20 BHED Cc1ccc(/C=C\c2ncccc2C#N)cc1C 485987357 SEAXIXLWQKIGLQ-FPLPWBNLSA-N 234.302 3.741 30 20 BHED C=C[C@H]1CCCCN1Cc1csc(C2CC2)n1 489514057 QALJSNAAABBEOU-ZDUSSCGKSA-N 248.395 3.561 30 20 BHED C=C(C)CN(CC)Cc1cccc2cc[nH]c12 505886944 OZBPRWRZVSZMNB-UHFFFAOYSA-N 228.339 3.566 30 20 BHED C=C(C)COc1ccnc2c(Cl)cccc12 506688834 RSEBUCIKGTUUHR-UHFFFAOYSA-N 233.698 3.843 30 20 BHED CC[C@H](C)[C@H](C)NCC#Cc1ccc(Cl)cc1 542542054 MKRJFJDOHFECLK-STQMWFEESA-N 249.785 3.716 30 20 BHED C=C(CC)CN1CC[C@H](c2cccc(F)c2)C1 557290974 FINGEUSHQNRROP-AWEZNQCLSA-N 233.330 3.581 30 20 BHED CCC[C@H](CC)SCC1(CC#N)CC1 594894707 AKYQXAQSTSHORH-NSHDSACASA-N 211.374 3.992 30 20 BHED C[C@@H](CCC#N)CN[C@H]1CCCc2sccc21 602611374 NDRSYUAXEDMHHA-AAEUAGOBSA-N 248.395 3.655 30 20 BHED CCCCCCCC(=O)N1CCC[C@H]1CC 727734269 LOJVHXXMOUDXLJ-CYBMUJFWSA-N 225.376 3.748 30 20 BHED C=C(Cl)CN1CCC[C@](C)(CCC)C1 743873797 VLRQEJIDMQYXMX-LBPRGKRZSA-N 215.768 3.641 30 20 BHED CCCCCCCCNC(=O)Nc1ccccn1 754778760 OAQQEPYSQBFWAF-UHFFFAOYSA-N 249.358 3.564 30 20 BHED CC(=NNc1cc(C)ccc1C)C1CCOCC1 755886899 QQZHRMCTVLVGKY-UHFFFAOYSA-N 246.354 3.518 30 20 BHED CC(CCc1ccccc1)=NOCC(F)(F)F 764840770 QMEFPZCLWIATHE-UHFFFAOYSA-N 245.244 3.574 30 20 BHED Oc1ccccc1/C=N/[C@@H]1CC12CCCCC2 770567518 DYQHUINTBGPCDW-DSQDWWTGSA-N 229.323 3.534 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C=C(/C)C(C)(C)C 775924431 LOQDIWGXJMKGHE-YLGBQOPLSA-N 237.387 3.840 30 20 BHED C#CCCCCCC(=O)NCC1(CC)CCCC1 779938572 YKLXTLNGBKRKHC-UHFFFAOYSA-N 249.398 3.657 30 20 BHED CCC(CC)NN=C[C@H]1CCCC[C@H]1C 783847651 WLNYCWWCJQGYHR-VXGBXAGGSA-N 210.365 3.577 30 20 BHED C[C@H]1CCCCC1=NN[C@H](C)C(C)(C)C 793116895 VCCGMEZMGRZNDO-WDEREUQCSA-N 210.365 3.577 30 20 BHED COc1cccc(NN=C[C@@H]2CC[C@H](C)C2)c1 800809400 MQWRAVRAGMBYPO-NWDGAFQWSA-N 232.327 3.529 30 20 BHED CCC(=NNc1ccc([N+](=O)[O-])cc1C)C(C)C 807990415 AWDOJEUYFDYNMO-UHFFFAOYSA-N 249.314 3.737 30 20 BHED CC1(C)CCC[C@H](C=NOCC2CC2)C1 814241465 PLINEZXZHOYUMD-LBPRGKRZSA-N 209.333 3.615 30 20 BHED Clc1oc2ccccc2c1C=NOCC1CC1 814243953 VXBCTKXYLWDLTL-UHFFFAOYSA-N 249.697 3.847 30 20 BHED CC1CC(=NNc2ncc(Cl)cc2Cl)C1 814740555 POGPJDPKNHWSGA-UHFFFAOYSA-N 244.125 3.586 30 20 BHED C=C(Cl)CNc1ccccc1C(C)(F)F 849316756 MQYBZGGILDKOSS-UHFFFAOYSA-N 231.673 3.963 30 20 BHED CC(CCC(C)C)=NNc1ccc(Cl)cn1 853438391 ZPZDDJPYDQLNDT-UHFFFAOYSA-N 239.750 3.959 30 20 BHED C=CC(C)(C)CC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 879436543 RWPDBWQVSKUKLI-IHRRRGAJSA-N 249.398 3.626 30 20 BHED CCCCCC1=CCCC1=NNc1cnccn1 912962413 VSRYQDPUVCJYFX-UHFFFAOYSA-N 244.342 3.545 30 20 BHED Cc1ccc(C=NN[C@@H](C)c2ccccc2)cc1 920386412 ZSHBPBSYRXQKBS-AWEZNQCLSA-N 238.334 3.680 30 20 BHED C=CCN(C(=O)C[C@@H](C)C1CC1)c1ccccc1 920815370 KHHRUFJKNUJEFL-CYBMUJFWSA-N 243.350 3.642 30 20 BHED C[C@@H](C/N=C/c1ccccc1O)c1ccccc1 920943920 DZUFFXWXZUYUDK-VLURKWGBSA-N 239.318 3.615 30 20 BHED C=C[C@H](CC)CC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 935323151 CHUXHFPTESGGJQ-LJISPDSOSA-N 249.398 3.626 30 20 BHED CCCCCCCCC(=O)N[C@H]1C=CCCC1 1319595463 QYLIEFRMKFIDPQ-AWEZNQCLSA-N 237.387 3.962 30 20 BHED C#CCCN[C@H](C)c1ccc(Cl)cc1Cl 70159410 MBUCJBVFORZDIK-SECBINFHSA-N 242.149 3.667 30 20 BHED CCCCCCC[C@H](C)N[C@H]1CCCC[C@@H]1O 103530212 RRZONJNTUDQFID-KKUMJFAQSA-N 241.419 3.629 30 20 BHED CCCCCCCCNCc1cncs1 132436085 UCTGRCVHPDZILB-UHFFFAOYSA-N 226.389 3.593 30 20 BHED C=CCCCC[C@H](C)N[C@H]1CCCSC1 134820380 DVAKUXIPBJNYIZ-STQMWFEESA-N 227.417 3.607 30 20 BHED CC(C)(CCC#N)CNc1cccc(F)c1 155576498 KCBOEXLRWOHCBA-UHFFFAOYSA-N 220.291 3.568 30 20 BHED C=CCCCC(=O)NC[C@@H](CC)c1ccccc1 175123461 RECUAHRRTVKZRN-CQSZACIVSA-N 245.366 3.653 30 20 BHED C=CCSc1ccc(C#N)c(C(F)(F)F)c1 180385297 GEFRJDHEXTYJHH-UHFFFAOYSA-N 243.253 3.855 30 20 BHED C=CC[C@H](C)NCCCCCOc1ccccc1 187937949 XPLHOWNOFMBOLB-HNNXBMFYSA-N 247.382 3.790 30 20 BHED C=CCC[C@H](CC)NCCC1CC(OCC)C1 189258072 GQYFOFUAOJFQOI-SLTAFYQDSA-N 239.403 3.526 30 20 BHED C/C=C/C=C\C(=O)NCCCCCCCC 215866978 AWQBLZLJCUQJKB-ZFILXNNPSA-N 223.360 3.595 30 20 BHED C=C(C)CCN[C@](C)(CC)c1nc(C)cs1 274820563 YAEFWEPKMLWZEH-CYBMUJFWSA-N 238.400 3.633 30 20 BHED Cc1c(Cl)cncc1N[C@H]1CCC[C@@H](C#N)C1 294664756 AEBNMNMRCRVHFK-MNOVXSKESA-N 249.745 3.538 30 20 BHED C=C(C)CCN[C@@H](C)c1csc(C(C)C)n1 309321414 FHEDWVADGQQMRQ-NSHDSACASA-N 238.400 3.883 30 20 BHED C=CCCCCNC1CC(c2ccccc2)C1 310365147 LUGCTVZPWRGMNX-UHFFFAOYSA-N 229.367 3.879 30 20 BHED CCC(CC)CN(CC)c1ccc(C#N)c(C)n1 311232192 IZHRMKYFICFOGE-UHFFFAOYSA-N 245.370 3.524 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccc(F)cc1 395396170 RAVDHOOHEKYXGJ-LLVKDONJSA-N 221.319 3.689 30 20 BHED C=C(C)CCc1noc(C(C)(C)CC(F)F)n1 420508003 ZXKGYXNPSHHMRK-UHFFFAOYSA-N 244.285 3.511 30 20 BHED C=CCC(C)(C)c1nc(-c2cccc(F)c2)no1 426431363 DNOFUUVEWHWHER-UHFFFAOYSA-N 246.285 3.729 30 20 BHED C=CCN[C@@H](CC(F)(F)F)c1ccccc1C 444789214 ZYZRMDSSVZASJH-LBPRGKRZSA-N 243.272 3.764 30 20 BHED C=C1CCN(CC[C@@H](C)c2ccccc2)CC1 447736327 LLFOMNOOZXJPJO-OAHLLOKOSA-N 229.367 3.832 30 20 BHED C=C(C)CCNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 452721274 ZPBZVMVOQXOOBY-QLFBSQMISA-N 249.398 3.675 30 20 BHED Cc1cc(CN[C@H]2CCCC[C@H]2C)ccc1C#N 488317445 VNFDMVCFKTXCEC-WBMJQRKESA-N 242.366 3.535 30 20 BHED C=C(C)CCN(C)[C@H]1CCc2ccccc21 509314066 MLOVERCPELRSQZ-HNNXBMFYSA-N 215.340 3.572 30 20 BHED C=CC1CCN(Cc2ccccc2SC)CC1 511109806 LKIPRIQTLXXETD-UHFFFAOYSA-N 247.407 3.807 30 20 BHED Cc1cn(CCSC2CCCCC2)cc1C#N 558588139 FCGWOHAKYXJRFD-UHFFFAOYSA-N 248.395 3.734 30 20 BHED C=CCCCCSCc1nc(CCC)no1 584222200 FXVBATUPJVNLLJ-UHFFFAOYSA-N 240.372 3.612 30 20 BHED C=CCCC(C)(C)NCc1ccc(C#N)cc1F 594998942 MMEHQPUHSAFPHR-UHFFFAOYSA-N 246.329 3.532 30 20 BHED C=CCCN(CCC)[C@H]1CCc2ccccc21 606897416 VBURVVMDXCOORY-INIZCTEOSA-N 229.367 3.962 30 20 BHED C=C(C)CN1CCC(Cc2cccc(F)c2)CC1 613454648 ASZVZZLDGDFFNB-UHFFFAOYSA-N 247.357 3.656 30 20 BHED C=C(C)CCN[C@H](C)c1cc2ccncc2s1 658027501 MZFBUHZZAUTIKH-LLVKDONJSA-N 246.379 3.913 30 20 BHED C=CCC1(NC/C(Cl)=C\Cl)CCCC1 690710238 BYXOMXJBNVXFNR-CSKARUKUSA-N 234.170 3.784 30 20 BHED CCC[C@H](N[C@@H](C)CC(C)(C)C#N)C1CCC1 695874227 VMGQGJKGJQDVSH-JSGCOSHPSA-N 236.403 3.873 30 20 BHED CCCCCC1=CCCC1=NNc1cccnn1 735973937 YNNPRUFJZXABJZ-UHFFFAOYSA-N 244.342 3.545 30 20 BHED Fc1ccc(NN=C2CCC[C@H](C3CC3)C2)nc1 737431882 QEAXKOISKXSVPN-NSHDSACASA-N 247.317 3.589 30 20 BHED C#CCCCCc1nc([C@@H](C)C(C)(C)C)no1 762143394 AMNFDGHUQRTDNF-LLVKDONJSA-N 234.343 3.565 30 20 BHED CC(=NNc1cccc(C)c1)c1sccc1O 769765474 HXGIWGHBQKIFEM-UHFFFAOYSA-N 246.335 3.598 30 20 BHED COCc1cccc(C=NOC2CCCCC2)c1 777460097 VFFPSAXXMONEGC-UHFFFAOYSA-N 247.338 3.516 30 20 BHED CC[C@@H]1CCC[C@@H](C=NNc2ncccc2F)C1 794993743 PTBNCVPTIIBTOO-VXGBXAGGSA-N 249.333 3.835 30 20 BHED CC(CCCC(C)C)=NNc1cccc(F)n1 795006619 DXRQPJYKWUOWNR-UHFFFAOYSA-N 237.322 3.835 30 20 BHED C=CCCCCCN1CC[C@@H](c2ccccn2)C1 799195974 MZOVPLSSMIOQNJ-OAHLLOKOSA-N 244.382 3.617 30 20 BHED Fc1cc(Cl)cc(C=NOC/C=C\Cl)c1 811671422 RCHYKWVEIOWLRC-ZSJVGNMGSA-N 248.084 3.582 30 20 BHED C=CCC(C)(C)CNC(=O)/C=C/C(=C\C)CC 817456646 AGHJBFBEEZQVEU-QBZMYZCLSA-N 235.371 3.617 30 20 BHED C=CCN(C(=O)[C@H]1CCC[C@H]1CCC)C(C)C 823096713 JBJWEVFHDLILLH-KGLIPLIRSA-N 237.387 3.626 30 20 BHED C=CCN(C(=O)Nc1cc(C)ccc1C)C(C)C 916705096 PJCDOUXIJLLMPQ-UHFFFAOYSA-N 246.354 3.732 30 20 BHED CSc1ccc(N[C@H](C)CC(C)(C)C#N)nc1 925908312 JGVDTUUWRHGWDJ-SNVBAGLBSA-N 249.383 3.544 30 20 BHED C[C@@H](CCC(C)(C)C)Nc1cccc(CC#N)n1 1320656916 YUJMLNRVLHJJIH-LBPRGKRZSA-N 245.370 3.774 30 20 BHED C=C[C@@H](CC)CC(=O)N[C@@H](C)c1cc(C)oc1C 1334990690 YOJVIFZWWGNOQA-AAEUAGOBSA-N 249.354 3.676 30 20 BHED CC(C)[C@@H](C)N(CC1(C#N)CC1)c1ccccc1 1473789581 NAYYHWHPQVCKRF-CQSZACIVSA-N 242.366 3.841 30 20 BHED Cc1ccc(C)c(Sc2ccc(C#N)cn2)c1 19846644 KLXGXJTYPRFEAE-UHFFFAOYSA-N 240.331 3.721 30 20 BHED N#Cc1ccccc1CSc1cccs1 20078168 OAQHIXCKSWFWNT-UHFFFAOYSA-N 231.345 3.912 30 20 BHED Cc1cc2nc(-c3ccc(C#N)cc3)[nH]c2cc1C 33559184 JUNYAQMKXZTNQE-UHFFFAOYSA-N 247.301 3.718 30 20 BHED C=CCCCN(CC=C)Cc1ccccc1 34874745 CDBLWBFHSKJGIL-UHFFFAOYSA-N 215.340 3.641 30 20 BHED Cc1ccc(C#N)c(Sc2ccccc2C)n1 43400910 OTRWOLIWLMEUPA-UHFFFAOYSA-N 240.331 3.721 30 20 BHED Cc1cc(OCCC(C)(C)C#N)ccc1Cl 57713777 DNGLEAJQHDNHNB-UHFFFAOYSA-N 237.730 3.967 30 20 BHED Cc1ccc(C(C)(C)C)cc1SCC#N 57982147 VFUNSCHDJBCFTG-UHFFFAOYSA-N 219.353 3.908 30 20 BHED CC(C)(C#N)CCCOc1c(F)cccc1F 93307861 GKHUMGRIRRTKIC-UHFFFAOYSA-N 239.265 3.674 30 20 BHED C[C@@H]1CCCC[C@H]1Nc1ccc(Cl)c(C#N)n1 110079292 DUHUJIGLSGJFAM-MWLCHTKSSA-N 249.745 3.597 30 20 BHED Cc1ccc(/C=C/C(=O)c2occc2C)s1 119014800 OZEYVKWXBCZUGW-AATRIKPKSA-N 232.304 3.854 30 20 BHED C=C[C@H](CC(=O)N(C)[C@H](C)CC)c1ccccc1 123942440 HTMUYSHUWBQNEC-ZIAGYGMSSA-N 245.366 3.603 30 20 BHED C#CCCCCN[C@H]1CCC[C@@H]1CCCC 130732968 UTJJKTJLNZACLG-GJZGRUSLSA-N 221.388 3.738 30 20 BHED C#CCCCN[C@@H](C)c1ccc(F)c(Cl)c1 174273656 XHYXZPVSTIUFBA-JTQLQIEISA-N 239.721 3.543 30 20 BHED C=CC[C@H](C)[C@H](C)Nc1cnn([C@@H](C)C2CC2)c1 187631542 DTYRYAJVKJUXNX-AVGNSLFASA-N 247.386 3.867 30 20 BHED C[C@H](SCCCC#N)c1nc2ccccc2o1 191004287 BWFHEBUVBIZCLS-JTQLQIEISA-N 246.335 3.926 30 20 BHED C=CCC1(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)CCC1 191901562 SJWXRDCVMJNXKI-BFHYXJOUSA-N 249.398 3.674 30 20 BHED O=C(/C=C\c1cccc(F)c1)c1ccsc1 255078587 OMSJJHGGDFICRG-PLNGDYQASA-N 232.279 3.783 30 20 BHED C=CC[C@@H](CC)NC(=O)c1coc2ccccc12 281129032 TYLIFMSVTDGILR-LLVKDONJSA-N 243.306 3.517 30 20 BHED C[C@H]1CCCC[C@@]1(C)NCCCC(C)(C)C#N 308697364 GRCAUDFVWRJUEG-DZGCQCFKSA-N 236.403 3.875 30 20 BHED CC[C@H]1C[C@@]1(NCCCC#N)c1cccc(C)c1 337419342 QJXZUTHPETZCTD-HOCLYGCPSA-N 242.366 3.514 30 20 BHED N#CC1(CSCc2cccc(Cl)c2)CC1 344471138 IBIXUUWUZSMNDF-UHFFFAOYSA-N 237.755 3.877 30 20 BHED C=CCCC1(C(=O)N[C@H]2CCC[C@H](C)CC2)CC1 356969639 JVKQRQWPOZNULP-KBPBESRZSA-N 249.398 3.818 30 20 BHED N#CCCCCSCc1ncc(Cl)s1 358652464 FODAIRUCTRFINV-UHFFFAOYSA-N 246.788 3.724 30 20 BHED C=CCC[C@H](CC)NCC(C)(C)OCC1CC1 414249851 AQJLWGALXOEGNJ-AWEZNQCLSA-N 239.403 3.526 30 20 BHED CC[C@H](NC1CCC(C)(C#N)CC1)[C@H]1CC1(C)C 417400731 KYHYAULFNNQQJA-IQXANGCESA-N 248.414 3.873 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@H](CC)CC(C)C 451626687 VKVURWVKACJIHR-CHWSQXEVSA-N 225.376 3.530 30 20 BHED C=CCN(CC1CCCCC1)C(=O)C1=CCCC1 471793233 MCPXZJNBDVOBFG-UHFFFAOYSA-N 247.382 3.692 30 20 BHED CC#CCN1CCCCC[C@H]1c1ccccc1 525632664 AJDSHIKQWDBQCR-INIZCTEOSA-N 227.351 3.627 30 20 BHED CCCc1cccc(CN(CCC#N)C(C)C)c1 548171819 SFLXVYYEQNAYES-UHFFFAOYSA-N 244.382 3.763 30 20 BHED C=CCOCCN(CC)[C@H](CC)c1ccccc1 549796609 FNKDGIDXQOALNB-MRXNPFEDSA-N 247.382 3.662 30 20 BHED C=CCC[C@H](CCC)NCCC1(OC)CCC1 556225813 RGOVDJFWNQXGIH-AWEZNQCLSA-N 239.403 3.670 30 20 BHED N#CCCCCSCCc1ccc(C#N)cc1 596385467 SYKXAIPPMVJCCL-UHFFFAOYSA-N 244.363 3.528 30 20 BHED C=CCC(C)(C)C(=O)Nc1csc(C)c1 634423451 NSOXFGZXFLBOAF-UHFFFAOYSA-N 223.341 3.597 30 20 BHED C[C@@H]1CCC[C@@H]1/N=C\c1cc(Cl)ccc1O 729641815 YORBJGLURBRFLW-GYWXPKIXSA-N 237.730 3.653 30 20 BHED CCC(CC)=NNc1cc(F)c(F)cc1F 734302618 IAKFQVUKADKTDS-UHFFFAOYSA-N 230.233 3.692 30 20 BHED C=C(C)CCOC(=O)[C@@H](c1ccccc1)C1CC1 765949561 LCWSJHNZVGZTHQ-HNNXBMFYSA-N 244.334 3.690 30 20 BHED CCCC[C@@H](CC)COC(=O)CC(C)(C)C#N 785091859 YYEBNRJUUQQUOC-GFCCVEGCSA-N 239.359 3.686 30 20 BHED Cc1ccc(C)c(C=NNC2CCCCC2)c1 786043759 WOKOELANZKTVEY-UHFFFAOYSA-N 230.355 3.560 30 20 BHED Cc1cccnc1NN=C[C@H]1CCCC[C@H]1C 790185632 IFWIEXHGOFTEQA-DGCLKSJQSA-N 231.343 3.614 30 20 BHED C[C@H]1CN(c2ccc(C#N)cc2)Cc2ccccc21 796450408 NKIKUWKUSAIZHM-ZDUSSCGKSA-N 248.329 3.682 30 20 BHED CC(C)C(C=NOC/C=C\Cl)C(C)C 811668568 PWRCFRKKVJGUSH-CYHCZLRHSA-N 217.740 3.670 30 20 BHED CCC(C[C@@H](C)CC)=NOCCOC(C)C 812239654 ZCYDWSKDGYTYKB-LBPRGKRZSA-N 229.364 3.630 30 20 BHED C(CSCc1ccccc1)=NOCCC1CC1 814244811 DBOFRHONVHZVCV-UHFFFAOYSA-N 249.379 3.722 30 20 BHED C=CCCC(CCC)=NNc1ccc(F)cn1 814842486 JQXVVJHXDBPBSW-UHFFFAOYSA-N 235.306 3.755 30 20 BHED CC(C)CON=C1CS[C@H](C(C)(C)C)C1 814883817 BWAXYHQHVNNFHZ-NSHDSACASA-N 229.389 3.567 30 20 BHED CCCON=C(C)[C@@H](C)c1ccc(OC)cc1 842557177 OWZHFETUWSJJTA-LLVKDONJSA-N 235.327 3.601 30 20 BHED C=C[C@@H](C)ON=C1CCC(=C2CCC2)CC1 853370246 HVLAIMBNFVLONC-LLVKDONJSA-N 219.328 3.988 30 20 BHED C=C/C=C/CCSCC1(CC#N)CC1 902452656 LCIZPCGERNLORE-ONEGZZNKSA-N 207.342 3.546 30 20 BHED CO[C@H](C(C)=NOC(C)(C)C)c1ccccc1 1324770436 ATBPGHPEPYAFSV-CYBMUJFWSA-N 235.327 3.565 30 20 BHED C=C(C)CCC(=O)N[C@H](C)[C@H](C)c1ccccc1 1354480841 DCJSTNWDHRHEDM-UONOGXRCSA-N 245.366 3.651 30 20 BHED C[C@H]1CCN(CCC2(C#N)CCCCC2)C[C@@H]1C 1653797027 WRJVIJCHSQWNAX-GJZGRUSLSA-N 248.414 3.828 30 20 BHED CC(C)[C@@H]1CCC[C@@H]1Nc1cccc(C#N)c1 1658695019 BQLYZSUMVLDKBU-GJZGRUSLSA-N 228.339 3.795 30 20 BHED C[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2F)C1 37412618 UCDCTHJBWLYKHA-ZYHUDNBSSA-N 232.302 3.688 30 20 BHED CCCCCC[C@@H](C)N[C@H](CC)CC#N 49202527 JJYYNXTWVDCHOK-CHWSQXEVSA-N 210.365 3.627 30 20 BHED CC1(C)CC[C@@H](Nc2cccc(C#N)c2)C1 87769369 WICNBPVZQNOCOS-CYBMUJFWSA-N 214.312 3.549 30 20 BHED CCCCCCCNC[C@H]1CC=CCC1 105807284 OUDYXTQVUJBHTF-AWEZNQCLSA-N 209.377 3.903 30 20 BHED C#CCCCCC(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C 119956323 JWJSOILQBTWODD-UONOGXRCSA-N 249.398 3.511 30 20 BHED C[C@@H](NCc1ccc(C#N)s1)c1ccsc1 135562364 QFGSYRMEJQBDPM-SECBINFHSA-N 248.376 3.532 30 20 BHED Cc1cc(C#N)ccc1CN1[C@@H](C)CCC[C@H]1C 159793642 FCDVVTIOVXHACH-OKILXGFUSA-N 242.366 3.630 30 20 BHED C=C(C)COc1cc(Br)ccc1F 160207992 KTQFRUGKELVPQD-UHFFFAOYSA-N 245.091 3.543 30 20 BHED CC(C)(C#N)CCCSCc1nccs1 161782972 VVHRFRPMPSEMKF-UHFFFAOYSA-N 240.397 3.706 30 20 BHED CC[C@@H]1CCC[C@H]1Nc1ccc(OCC#N)cc1 165279089 YKMHSHGPOIDOTO-IUODEOHRSA-N 244.338 3.580 30 20 BHED C=CCCCC(=O)N(CC)[C@@H]1CCCC[C@@H]1C 177807715 DHPFDXUCKHPYRA-UONOGXRCSA-N 237.387 3.770 30 20 BHED C=CCC1(C(=O)N[C@H](C)CCCCC)CCC1 187998168 WBMFTIQEHBCMMF-CYBMUJFWSA-N 237.387 3.818 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H](C)CCC(C)C 190037290 KNTVWMDFZJRFAD-GXTWGEPZSA-N 225.376 3.530 30 20 BHED C#CCCCC(=O)N1CCCCC[C@@H]1CC(C)C 192344726 MRYLTFUYTWYEJJ-OAHLLOKOSA-N 249.398 3.607 30 20 BHED N#Cc1ccc(NCCC2=CCCCCC2)nc1 302198653 QDCANSKMADNNHV-UHFFFAOYSA-N 241.338 3.646 30 20 BHED C=CCCSc1ccc2ccccc2n1 303835053 RQDMMDPFIYGWEG-UHFFFAOYSA-N 215.321 3.903 30 20 BHED C=C(C)CCN[C@H]1CCCC[C@H]1SCC 309055736 UIYANOONCTZBSX-QWHCGFSZSA-N 227.417 3.607 30 20 BHED C=CCC[C@@H](NCCC(C)C)c1ccco1 309674426 LDKKYYACSLOTTJ-CYBMUJFWSA-N 221.344 3.923 30 20 BHED Cc1cc(Cl)ccc1N[C@H]1CC[C@H](C#N)C1 309847703 HKIQCBNBOAYYHL-JQWIXIFHSA-N 234.730 3.753 30 20 BHED CCCC[C@@H](C)N(C)Cc1cccc(C#N)c1 310406194 OGIIVGMPCAYEAM-CYBMUJFWSA-N 230.355 3.569 30 20 BHED C=C(CC)CN[C@@H](C)c1ccc(C)cc1OC 313539122 PSBURPAYGSAZHD-ZDUSSCGKSA-N 233.355 3.620 30 20 BHED C[C@@H](c1noc(C2(C#N)CCCC2)n1)C(C)(C)C 336561790 IXGFOKFQLBELNG-JTQLQIEISA-N 247.342 3.555 30 20 BHED C=CCCSCc1ccc(C#N)cc1F 339094459 UUXSGDMIWAJQKW-UHFFFAOYSA-N 221.300 3.507 30 20 BHED C=CCN(Cc1ccccc1)CC1(SC)CC1 347650807 ODOUFUUCMCRCII-UHFFFAOYSA-N 247.407 3.570 30 20 BHED C=CCCCN[C@H](C)c1ccc(OCC)cc1 379717018 OWFGPJWKWKVODX-CYBMUJFWSA-N 233.355 3.702 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCC(C)(C)C1 424812291 NKIBTEMFPDSZQA-LBPRGKRZSA-N 237.387 3.626 30 20 BHED C=C(C)CN(CC)Cc1cc2c(F)cccc2[nH]1 437589915 LIDOULOOEAXCDQ-UHFFFAOYSA-N 246.329 3.705 30 20 BHED C=C(C)CCc1noc([C@]2(C)CC=CCC2)n1 453186753 UIHFZBVSLSZTGB-CQSZACIVSA-N 232.327 3.576 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cccc(Cl)c1 467350416 PYOWQULAJVSDOY-ZDUSSCGKSA-N 237.730 3.881 30 20 BHED CC(C)=CCC[C@H](C)CCN(C)[C@H](C)CC#N 482161716 FKOVORBLUULLRV-LSDHHAIUSA-N 236.403 3.993 30 20 BHED C=CCCCN(CC)Cc1c(F)cccc1F 605150313 HDSKLSGVTHBBSA-UHFFFAOYSA-N 239.309 3.753 30 20 BHED C=CCCNC1CCC(c2ccc(O)cc2)CC1 668483768 ZRASLAQMSHMKJY-UHFFFAOYSA-N 245.366 3.584 30 20 BHED C=CCCOC(=O)c1c(Cl)cccc1Cl 740188916 IPVLZYVTCRRBDC-UHFFFAOYSA-N 245.105 3.726 30 20 BHED Cc1cccc(F)c1CNc1ccc(C#N)cc1 742419880 UHOAEGGBIPCUCF-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C(=NNc1cccc2ccccc12)c1ccncc1 747059875 CYBAFTJLAASYMU-UHFFFAOYSA-N 247.301 3.681 30 20 BHED CCCCCCCCOC(=O)c1ocnc1C 750921031 DJRJZCSUFCDMDF-UHFFFAOYSA-N 239.315 3.500 30 20 BHED CC[C@H]1CCCC1=NNc1nc2ccccc2[nH]1 758361733 NSBATGNGVBQKST-JTQLQIEISA-N 242.326 3.541 30 20 BHED C#CCCN(C)Cc1ccccc1-c1ccccc1 764236977 ZFLKBTQUVHUJLT-UHFFFAOYSA-N 249.357 3.809 30 20 BHED CC#CCCSCc1ccc(CF)cc1 764951911 WUZHTSVCRUKRQG-UHFFFAOYSA-N 222.328 3.803 30 20 BHED C=CCN(CCCCC(C)(C)C#N)C(C)C 769708891 MJUWLRKPQPBYRW-UHFFFAOYSA-N 222.376 3.603 30 20 BHED CC(Cc1cccs1)=NOC1CCCC1 774597723 WVZZJTFWCCTOCK-UHFFFAOYSA-N 223.341 3.626 30 20 BHED CC(=NOC1CCCCC1)C1CCCC1 777458819 JKXLDJLLUNTKBD-UHFFFAOYSA-N 209.333 3.902 30 20 BHED C#CCCCCN[C@@H]1c2cc(C)ccc2C[C@@H]1C 779127733 JXZAYTOHSAGNAM-YOEHRIQHSA-N 241.378 3.621 30 20 BHED CCCC[C@H]1CCCC1=NOCC1CC1 814245350 XSVFRWWADDISIM-LBPRGKRZSA-N 209.333 3.759 30 20 BHED CCC(=NNc1ncccc1C)C1CCCC1 834972763 JHMWEDBJBSRBLG-UHFFFAOYSA-N 231.343 3.758 30 20 BHED C=C(C)CON=C[C@H](C)CCc1ccccc1 844618726 GBBMWVKQWYOPQC-CQSZACIVSA-N 231.339 3.834 30 20 BHED C#CC1CCC(=NNc2cccc(F)c2F)CC1 853312185 LCXAFDSVJCSGII-UHFFFAOYSA-N 248.276 3.556 30 20 BHED COC[C@@H](S[C@H](C)CCC#N)c1ccccc1 901662236 IKXLMIYOUBJXGJ-TZMCWYRMSA-N 249.379 3.800 30 20 BHED CCON=Cc1ccc(F)c(-c2cccs2)c1 917543169 HHLWBNDXAPVRGK-UHFFFAOYSA-N 249.310 3.925 30 20 BHED CCON=C(CC(C)C)c1cccs1 917543546 QVSSOZPBLUPESN-UHFFFAOYSA-N 211.330 3.535 30 20 BHED C=C(Cl)COC(=O)C[C@@H](C)CC(C)(C)C 919498171 ZPPSTZSAKFZOHQ-SECBINFHSA-N 232.751 3.745 30 20 BHED C=C(CC)C(=O)Nc1cc(C(C)C)c(O)cc1C 1263769042 NKCLEJPUCOVJJU-UHFFFAOYSA-N 247.338 3.729 30 20 BHED CC#CCCCC(=O)NC(C)(C)C1CCCCC1 1320400363 ZKXQYJOZOSXMCB-UHFFFAOYSA-N 249.398 3.655 30 20 BHED CC(Cc1ccccc1F)=NOC(C)(C)C 1320494034 KGAYZTVYCHZWAI-UHFFFAOYSA-N 223.291 3.559 30 20 BHED C=C(C)CCC(=O)N1C[C@H](C)[C@H]1c1ccccc1 1335825372 XHHAZEIFEPDYSU-BBRMVZONSA-N 243.350 3.562 30 20 BHED Cc1cccc(OCc2ccc(C#N)s2)c1F 1459042730 VOUGUBNHPVABEY-UHFFFAOYSA-N 247.294 3.646 30 20 BHED CC[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1 1642372098 SJFNTXFMHPPIAK-KCPJHIHWSA-N 246.329 3.559 30 20 BHED CCCCN(CC(C)C)c1ccc(C#N)cc1 1652787311 CPDAHEIFJHCALA-UHFFFAOYSA-N 230.355 3.821 30 20 BHED CCCCCCCNC(C1CC1)C1CC1 59090646 NOZXILXNCIMXBQ-UHFFFAOYSA-N 209.377 3.735 30 20 BHED CC[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2)C1 83640182 QAYFZUFCEBZXPE-CZUORRHYSA-N 242.366 3.617 30 20 BHED COc1ccc(NCCCC(C)(C)C#N)c(C)c1 87598199 WUPPOWYOTMYBDI-UHFFFAOYSA-N 246.354 3.746 30 20 BHED C[C@@H](N(C)CCCC(C)(C)C#N)C(C)(C)C 87608640 MHYMIIQHZMXGKI-GFCCVEGCSA-N 224.392 3.683 30 20 BHED N#Cc1cncc(-c2cc(Cl)cc(Cl)c2)c1 91366209 VNPBBQAGKHOPSA-UHFFFAOYSA-N 249.100 3.927 30 20 BHED CCCCCCCC(=O)Nc1ccncc1C 107292920 JHADTIOUDXGIBK-UHFFFAOYSA-N 234.343 3.689 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H](C)c1ccccc1 120831476 LXQUXFLNJWNFPC-ZDUSSCGKSA-N 243.350 3.632 30 20 BHED C=C(C)CNCc1ccc2cc(OC)ccc2c1 122544595 IKXSCSGDHRKILL-UHFFFAOYSA-N 241.334 3.514 30 20 BHED C=C(Cl)CN[C@H]1CCc2c(Cl)cccc21 129757599 SABSDRUBCUFWEX-LBPRGKRZSA-N 242.149 3.669 30 20 BHED C=C(Cl)CN[C@H](CC)c1ccc(F)cc1F 129803797 BTJLJRWUCSKLJN-GFCCVEGCSA-N 245.700 3.758 30 20 BHED C=CCC(CC=C)C(=O)N[C@H](C)C1CCCCC1 150848468 XDOLLSPHQSLDPR-CYBMUJFWSA-N 249.398 3.840 30 20 BHED CC(C)(C#N)CCCN1CCc2ccc(F)cc21 174836040 OHDTUBGPFCPGMU-UHFFFAOYSA-N 246.329 3.518 30 20 BHED C[C@H]1CCC[C@H](CNCc2ccc(C#N)s2)C1 176954571 TYLHIMIFIMFLEG-RYUDHWBXSA-N 248.395 3.536 30 20 BHED CCC(=CC(=O)Nc1cc(C#N)ccc1C)CC 177691458 KZKLXYJAZFHZDI-UHFFFAOYSA-N 242.322 3.552 30 20 BHED Cc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1C 185721810 XKYSTTGNUPYMTC-KGLIPLIRSA-N 228.339 3.798 30 20 BHED N#Cc1ccc(NCc2sccc2Cl)cc1 192756375 MHTHYAJMVPPXPD-UHFFFAOYSA-N 248.738 3.885 30 20 BHED O=C(/C=C\c1cccs1)c1cccc(F)c1 206087475 DDUKRQFAUJDPJM-SREVYHEPSA-N 232.279 3.783 30 20 BHED C=CC[C@H](C)N[C@@H]1CC[C@@H](C)C[C@@H]1CC 222079169 KYIKVCSGAYDLES-ZOBORPQBSA-N 209.377 3.755 30 20 BHED CCCC[C@H](CCC)Nc1cc(C#N)ccn1 226032303 OKMBFNSKIGDFES-ZDUSSCGKSA-N 231.343 3.724 30 20 BHED CC[C@H](C#N)SC[C@@H](C)c1ccccc1 280031318 VXBUEYANPJNTAD-DGCLKSJQSA-N 219.353 3.825 30 20 BHED C=C(CC)CSCc1cnc(C)s1 308320735 YMUKUSAPCZMRPZ-UHFFFAOYSA-N 213.371 3.651 30 20 BHED Cc1ncsc1CSc1ccc(C#N)cc1 334575036 QVSJIWMZGWZXCS-UHFFFAOYSA-N 246.360 3.616 30 20 BHED C=C(C)CSCc1nc(C)sc1C 336644018 MZWAAWRCISLMQX-UHFFFAOYSA-N 213.371 3.569 30 20 BHED C=CCCC(=O)N1C[C@@H](C(C)C)c2ccccc21 347563888 LAZBUDFWNSBADJ-AWEZNQCLSA-N 243.350 3.739 30 20 BHED C=CC[C@H](CC)NCc1ccc(SC)cc1 390584501 XVANLMSTXFFDLQ-ZDUSSCGKSA-N 235.396 3.853 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(N(C)C)cc1 393756482 SQDCJWBURJHXMZ-DZGCQCFKSA-N 246.398 3.758 30 20 BHED Cc1c2c(nc3ccccc13)CC[C@](C)(C#N)C2 416388115 KZNDTRXDSQTCIK-INIZCTEOSA-N 236.318 3.562 30 20 BHED C=C(C)CN(CC)Cc1oc(C(C)C)nc1C 428466725 VTMJJVUDSWWXFN-UHFFFAOYSA-N 236.359 3.504 30 20 BHED N#C[C@@H]1CC[C@@H](SC2CCCCC2)C1 450630186 TZFXTLUIJQVYGG-ZYHUDNBSSA-N 209.358 3.745 30 20 BHED C=CCCC1(C(=O)N[C@@H]2C[C@]2(CC)C(C)C)CC1 457282373 NBBRJQBHHUNDOR-CZUORRHYSA-N 249.398 3.674 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cccc(Cl)c1 467350415 PYOWQULAJVSDOY-CYBMUJFWSA-N 237.730 3.881 30 20 BHED C=C(C)CN(CC)C(=O)[C@H]1CCCC[C@@H]1CC 474788686 BLVJGYWMVQLQIC-KBPBESRZSA-N 237.387 3.627 30 20 BHED C=C(C)CN(C)C(=O)C[C@H]1CCCCC1(C)C 479240497 GWZGEBSKPIQRLM-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=CCC(C)(C)CNC(=O)c1ccc(C)c(C)c1 490059574 NESPHTDXWLWHMA-UHFFFAOYSA-N 245.366 3.636 30 20 BHED C=C(CC)CSCCc1scnc1C 507097893 LIYWZNMEOISYLN-UHFFFAOYSA-N 227.398 3.693 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)[C@H]1CCCOC1 507510948 NPZRUSFYZMTAAJ-ZNMIVQPWSA-N 239.403 3.526 30 20 BHED C=CCCN1CCC[C@H]1C1CCCCC1 524811394 JCOONNPFDBYDMC-AWEZNQCLSA-N 207.361 3.607 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H](CCC)C(C)C 537317616 KAXBTMDBDYGBPY-KBPBESRZSA-N 239.403 3.920 30 20 BHED C=CCCCCNC(C)(C)c1nc(C)cs1 569673703 DMUCFIPFCKWYBZ-UHFFFAOYSA-N 238.400 3.633 30 20 BHED Cc1ccc([C@@H](C)CNCC(C)(C)CC#N)cc1 600165776 STJSAIAFFQQERW-AWEZNQCLSA-N 244.382 3.628 30 20 BHED COC1CC(S[C@H](C)c2cccc(C#N)c2)C1 600627091 MOVLUXHXYHSWSF-GWMXKSKGSA-N 247.363 3.530 30 20 BHED C=CCCCNc1ccc(F)cc1OCC1CC1 607150108 ZLVWXSOECYTOJA-UHFFFAOYSA-N 249.329 3.993 30 20 BHED C=CC[C@H]1CCCN(C(=O)CC2CCCCC2)C1 617789049 XQKYHKZXMCIOGC-HNNXBMFYSA-N 249.398 3.772 30 20 BHED C=CCCN1CCC[C@@H]1c1ccc(OC)c(F)c1 661659698 LAEOWTHBHMNZQH-CQSZACIVSA-N 249.329 3.547 30 20 BHED C=C(CN[C@@H](C)c1ccoc1)c1ccccc1 675782213 OAVJISIWMSBHMF-ZDUSSCGKSA-N 227.307 3.644 30 20 BHED CCCC[C@H]1CCCC1=NNc1cc(C)ncn1 731935657 KPVAMBNGMNHMKD-LBPRGKRZSA-N 246.358 3.543 30 20 BHED CC(C)(C)C=NNc1ccccc1Cl 755473029 QZPHQNNWVCUEDI-UHFFFAOYSA-N 210.708 3.784 30 20 BHED C=C(Cl)CN(C)Cc1ccc(C(C)C)cc1 765910144 NBWKGCVZEXXYGD-UHFFFAOYSA-N 237.774 3.994 30 20 BHED Cc1cc(C=NNc2ccc(F)cc2C)c(C)o1 767900580 IBPRYLAVWCMGPH-UHFFFAOYSA-N 246.285 3.790 30 20 BHED CC(CCC1CC1)=NNc1ccc(C#N)cc1 768772040 GVFLQIWBCUYLOU-UHFFFAOYSA-N 227.311 3.536 30 20 BHED CC(=NNc1cc(Cl)ccn1)c1ccccc1 777907195 OULPYDBKIMJNRS-UHFFFAOYSA-N 245.713 3.571 30 20 BHED C[C@H]1C[C@@H]1c1ccc(C=NNC2CCCCC2)o1 786042883 CDJMOQBHBMZQHB-FZMZJTMJSA-N 246.354 3.659 30 20 BHED Cc1cccc(C=NNC2CCCCC2)c1C 786043725 UNXHMTVKOPZEGS-UHFFFAOYSA-N 230.355 3.560 30 20 BHED C=CC[C@@H](C)C(C)=NNc1cccc(Cl)n1 793174089 IDXONNKRCDNPQN-SECBINFHSA-N 237.734 3.735 30 20 BHED Fc1cc(Cl)ccc1C=NOC/C=C\Cl 811670699 ZFPKFLQMLYDBER-YHHAPTPFSA-N 248.084 3.582 30 20 BHED Cl/C=C/CON=C1CCC[C@@H](C2CC2)C1 811672318 WJAHDGDPOLYOOA-NBIYYCHCSA-N 227.735 3.712 30 20 BHED Fc1ccccc1NN=C/C=C/c1ccccc1 812458521 DWYOENLLZVHHMN-VFXUPEKQSA-N 240.281 3.937 30 20 BHED CC(C)ON=C1CCC[C@H](C(F)(F)F)C1 835003734 ZQRFOXDWGXECQF-QMMMGPOBSA-N 223.238 3.520 30 20 BHED CC(C)(CC#N)CN[C@@H]1CC[C@@H]2CCCC[C@H]2C1 839163432 MBOCVDXTUNJBJK-SOUVJXGZSA-N 248.414 3.875 30 20 BHED C=C(C)CON=C(C)[C@@H](C)c1ccccc1 844619328 XODIJBAFPLPCFL-GFCCVEGCSA-N 217.312 3.759 30 20 BHED CC(C)CCC=NNc1ccc(Cl)cn1 853437198 FLWKNCCZKVNGIO-UHFFFAOYSA-N 225.723 3.569 30 20 BHED N#CCc1cccc(NC2CC3(CCCC3)C2)c1 894768415 WCJZGWXGLCFOJN-UHFFFAOYSA-N 240.350 3.887 30 20 BHED CCCc1ccc([C@H](C)NCC2(C#N)CC2)cc1 903102194 UDXFVYPVDWHCQW-ZDUSSCGKSA-N 242.366 3.593 30 20 BHED CCCCCCCCC(=O)NCC1CCC1 915073842 OJICLXHDHSZPAO-UHFFFAOYSA-N 225.376 3.653 30 20 BHED C=C[C@H](C)N[C@H](C)c1coc2ccccc12 925262569 NMJNEYWGCFBRCU-WDEREUQCSA-N 215.296 3.658 30 20 BHED CC[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)[C@H]1C 1169494650 NGUOIKSJMFSJIU-GZBFAFLISA-N 242.366 3.740 30 20 BHED CCCCCCCCCC(=O)N1CC[C@H](F)C1 1324512140 FORFQTHWTKMIQF-ZDUSSCGKSA-N 243.366 3.698 30 20 BHED C=C[C@H](CC)CC(=O)N1CC[C@@H]1c1ccccc1 1332733951 FHVUCEWNOOVPTJ-UKRRQHHQSA-N 243.350 3.562 30 20 BHED C=C(C)CCC(=O)N(Cc1ccccc1)C(C)C 1336908302 PURNOYDJKZVJFT-UHFFFAOYSA-N 245.366 3.780 30 20 BHED CC[C@@H](CC#N)NCC[C@@H]1C[C@@H](C)C[C@@H](C)C1 1559893315 OGAORJSKXBRHLH-YJNKXOJESA-N 236.403 3.731 30 20 BHED C(#Cc1ccc2ccccc2n1)c1ccccc1 39262156 OLIGWEDUXXPBHS-UHFFFAOYSA-N 229.282 3.635 30 20 BHED C[C@@H](C#N)Sc1cc(Cl)ccc1Cl 48404048 GTHWBEJWTKRREW-LURJTMIESA-N 232.135 3.998 30 20 BHED C=CCN(C)[C@H](C)c1cccc(Cl)c1 52162218 CSPVLAJDFSMZMZ-SNVBAGLBSA-N 209.720 3.519 30 20 BHED Cc1ccccc1[C@@H](NCCCCC#N)C1CC1 91319682 KNGPFHXXAZHZKD-INIZCTEOSA-N 242.366 3.730 30 20 BHED C=CCCC(=O)O[C@@H](CC)c1ccccc1 113483456 XMVJXHIMZDYHCP-ZDUSSCGKSA-N 218.296 3.647 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccccc1Cl 116907855 SZWBEYKPGXMGLW-MNOVXSKESA-N 223.747 3.955 30 20 BHED CC[C@@H](C#N)N[C@@H](CCC(C)C)C(C)(C)C 122238494 WSJCSBJEXWMIBU-STQMWFEESA-N 224.392 3.729 30 20 BHED C#C[C@@H](C)N[C@H](Cc1ccccc1)c1ccccc1 123008875 QYBAQOGFBPATAX-CRAIPNDOSA-N 249.357 3.582 30 20 BHED C=C[C@H](CC(=O)N(C)CCCC)c1ccccc1 129309125 FZOWNPRSAKJTML-CQSZACIVSA-N 245.366 3.605 30 20 BHED C[C@@H]1CCC[C@H](NCc2ccc(C#N)s2)[C@@H]1C 135665699 LEQOSLCFYBCFRG-GYSYKLTISA-N 248.395 3.534 30 20 BHED C=CCCCCCCNC(=O)OC(C)(C)C 142237311 MHYFMNQNKHBNLJ-UHFFFAOYSA-N 227.348 3.648 30 20 BHED CC#CCCN1CCCCC[C@@H]1c1ccco1 155741032 UJVPRFHFOBTJGE-CQSZACIVSA-N 231.339 3.610 30 20 BHED C#CCCCCC(=O)Nc1ccc(SC)cc1 179659547 DJGWNPSFLCKXPU-UHFFFAOYSA-N 247.363 3.541 30 20 BHED CCC[C@@H](CN[C@@H](CC)CC#N)c1ccccc1 184092524 YBZVENAIZRCQQQ-HOTGVXAUSA-N 244.382 3.852 30 20 BHED C=C(C)COc1ccc2[nH]c(C)cc2c1F 184972470 RAOORDCTVCXYPD-UHFFFAOYSA-N 219.259 3.570 30 20 BHED C=C(C)CN(CC)[C@H](C)c1cccc(C#N)c1 189768938 AFXSXRKAQGRZHJ-CYBMUJFWSA-N 228.339 3.517 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc(F)cc1F 189773480 RWSMAWVSBRXTNO-ZDUSSCGKSA-N 239.265 3.506 30 20 BHED C[C@H](NC[C@@H]1CCC[C@@H]1C)c1ccc(C#N)cc1 230659516 LTHADFNVNPUBJJ-XEZPLFJOSA-N 242.366 3.645 30 20 BHED CCCC[C@@H](CC)CNc1ccnc(C#N)c1 233059871 JDSGXDJRDMCBQX-GFCCVEGCSA-N 231.343 3.582 30 20 BHED N#CCCCN[C@H]1CCCc2c(Cl)cccc21 273396659 FMYZYBDPBUAXKF-AWEZNQCLSA-N 248.757 3.611 30 20 BHED CC[C@H](C#N)S[C@@H](C)c1ccccc1OC 275644338 JOXJHGZAJIJLFJ-WDEREUQCSA-N 235.352 3.792 30 20 BHED C=CCCCN[C@H](C)c1c(F)cccc1F 303520667 VKLRDWFYZOYQIZ-SNVBAGLBSA-N 225.282 3.582 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1ccc(C)o1 379937791 WMAFDWMEUWHIGT-GFCCVEGCSA-N 221.344 3.841 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1cc(C)ccc1O 386438833 CAMAJMSUGJHJNV-CYBMUJFWSA-N 247.382 3.954 30 20 BHED Cc1nc(N2C[C@@H](C)c3ccccc32)ccc1C#N 398492341 DSEBBHIGEFDQPX-LLVKDONJSA-N 249.317 3.517 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@H](C)CC1CCCC1 410125478 XZWGVAHHYKHKEG-TZMCWYRMSA-N 237.387 3.674 30 20 BHED Cc1ccc(C)c2[nH]c(-c3ccc(C#N)cc3)nc12 430936310 UBPMZDLRGGZWPD-UHFFFAOYSA-N 247.301 3.718 30 20 BHED C=C(CC)CN[C@H](CC)c1ccc(C#N)cc1 453366251 PKDUDONJIGCALA-OAHLLOKOSA-N 228.339 3.565 30 20 BHED C=CCC1(NC(=O)c2ccoc2C)CCCCC1 456390902 ZKQMMYBKSGMHQC-UHFFFAOYSA-N 247.338 3.597 30 20 BHED Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(C#N)cc1 511699464 UGJFOHQCJANDHC-KRWDZBQOSA-N 248.329 3.966 30 20 BHED C=CCCCC(=O)N(C)[C@H](C)C1CCCCC1 512729576 MFUTZHIRDXRLCZ-CYBMUJFWSA-N 237.387 3.770 30 20 BHED N#C[C@@H]1CCC[C@@H](Nc2cccc3cc[nH]c23)C1 618578741 VEJRWEPKIRIXQU-DGCLKSJQSA-N 239.322 3.662 30 20 BHED C[C@@H](CC(C)(C)C#N)N[C@H]1CCCC(C)(C)C1 695816860 PJAXLWRGMZLWLA-STQMWFEESA-N 236.403 3.873 30 20 BHED C=CCCCCCN(C)C(=O)C[C@H](C)C1CC1 739653902 ITLXMOYTEJNOHO-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED CCC(=NNc1cc(C)ccc1C)C1CC1 741162436 ZRDJHJPCOIHTAQ-UHFFFAOYSA-N 216.328 3.891 30 20 BHED CCON=Cc1cc2cccc(C)c2nc1Cl 767461884 KUBYHWYMZRIPJR-UHFFFAOYSA-N 248.713 3.567 30 20 BHED C=C(Cl)CN(C)[C@@H](C)C1CCCCC1 773976821 NLUBZWFCMRTOAM-NSHDSACASA-N 215.768 3.640 30 20 BHED CCc1ccc(C(C)=NOC2CCCC2)o1 774602423 JZQYNPVQFGZDGY-UHFFFAOYSA-N 221.300 3.525 30 20 BHED Cc1cc2ccccc2nc1NN=C[C@@H]1C[C@@H]1C 776786469 WECZNFAUWSYZAI-GWCFXTLKSA-N 239.322 3.597 30 20 BHED CC[C@@H](C)NN=C(C)c1cc2ccccc2o1 790183652 UMVVAGXUHGKOBH-SNVBAGLBSA-N 230.311 3.545 30 20 BHED C=CCCCCCOC(=O)C(C)(C)C(F)F 795863180 KBDQHRUTNCEVPJ-UHFFFAOYSA-N 234.286 3.567 30 20 BHED COc1ccc(NN=C[C@@H](C)C(C)(C)C)cc1 800814771 XSFJBWAQSUPERJ-LLVKDONJSA-N 234.343 3.775 30 20 BHED C=C(Cl)COC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 805783722 YQWKAQAVUOEJJF-MNOVXSKESA-N 242.746 3.521 30 20 BHED CC(=NOC/C=C\Cl)c1coc2ccccc12 811671254 PJOXIUGZAGGORI-AUZNDJKCSA-N 249.697 3.926 30 20 BHED c1cc2c3c(c1)C(=NOCC1CC1)C[C@H]3CCC2 814244360 PLEBUVSULPJPFJ-CYBMUJFWSA-N 241.334 3.641 30 20 BHED Cc1cccnc1NN=C1CCCC12CCC2 834973555 PEFNLICDGWYSFX-UHFFFAOYSA-N 229.327 3.512 30 20 BHED Cc1ccc(NN=C2CCCCC[C@@H]2C)nc1 844583465 XZJKMCFUPPIOOT-LBPRGKRZSA-N 231.343 3.758 30 20 BHED N#CCC1(CSCC=C(Cl)Cl)CC1 853783722 XLBMPZNMXMTIHB-UHFFFAOYSA-N 236.167 3.732 30 20 BHED C=C/C=C\CCSCCC(C)(C)C#N 902388446 WNMIWSJYQVVOAE-WAYWQWQTSA-N 209.358 3.792 30 20 BHED C=C[C@H](CC)CC(=O)Nc1ccc(OC)cc1C 931643699 KKTFZNFMDZBGCO-GFCCVEGCSA-N 247.338 3.544 30 20 BHED C[C@@H]1CCC[C@H](CSc2cccnc2C#N)C1 1641128145 BBYMQACBQXZLLZ-NEPJUHHUSA-N 246.379 3.872 30 20 BHED CC[C@H](C)[C@H](C)Nc1cccc(F)c1C#N 36138445 MMUPHIUDQDMMMR-UWVGGRQHSA-N 220.291 3.544 30 20 BHED C[C@H]1CCC[C@@H](N(C)c2ccc(C#N)cc2F)C1 42495278 TZAFOPBXFJKRNX-WCQYABFASA-N 246.329 3.712 30 20 BHED CC(=O)/C=C/c1cc(Cl)cc(Cl)c1 60075702 HUFNZQXJULCVSL-NSCUHMNNSA-N 215.079 3.596 30 20 BHED C[C@@H](CC#N)N[C@@H](C)c1cccc2ccccc12 68608470 UESSCZMNMFUGRX-STQMWFEESA-N 238.334 3.793 30 20 BHED C=CCCCOc1ccc(C#N)cc1Cl 71275558 NZOMUMSGECLZQP-UHFFFAOYSA-N 221.687 3.557 30 20 BHED CC(C)c1ccc(NCC2(CC#N)CC2)cc1 88249481 SLVXVPFCJGALEZ-UHFFFAOYSA-N 228.339 3.916 30 20 BHED CC1(C)CCCN(CC(C)(C)CCC#N)CC1 93660339 PEWLGDWZPAFQKG-UHFFFAOYSA-N 236.403 3.828 30 20 BHED Cc1cscc1CNc1ccc(F)cc1C#N 94878102 BHAYLDIMSIACNE-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C=CC[C@H](C)NC(=O)Nc1ccc(C(C)C)cc1 116996532 KBZVOHVHXJEREW-LBPRGKRZSA-N 246.354 3.896 30 20 BHED C=C[C@H](C)N[C@@H]1CC[C@H](C)c2ccccc21 157271155 WJCLCCBSYVMJKA-SLEUVZQESA-N 215.340 3.789 30 20 BHED CCc1cccc(OCCSCCCC#N)c1 190878602 WBHKQURTMPOFCJ-UHFFFAOYSA-N 249.379 3.665 30 20 BHED COc1ccc(/C=C\C(=O)c2ccsc2)cc1 213776531 KUVRNQACLXFTDH-DAXSKMNVSA-N 244.315 3.653 30 20 BHED C#CCCCCN[C@@H](C)c1ccc(CC)cc1 222291639 SYMUJISIXBACAB-AWEZNQCLSA-N 229.367 3.703 30 20 BHED CC1(C)CCCC[C@@H]1NCc1ccccc1C#N 227001267 DJYRUPCZTICYLA-HNNXBMFYSA-N 242.366 3.617 30 20 BHED C#CCCCCNC1CCC2(CCCC2)CC1 229639645 MSNRPVUHYXHJQE-UHFFFAOYSA-N 233.399 3.883 30 20 BHED CCCN(CCCCC(C)(C)C#N)C(C)C 233041063 FZOIIFFSXPYOFZ-UHFFFAOYSA-N 224.392 3.827 30 20 BHED C=CC[C@H](CC)NCc1ccc(C)s1 308590878 KHFPOBMQPKAYPG-NSHDSACASA-N 209.358 3.501 30 20 BHED C=CCCCCCCNCc1occc1C 309234359 UQZPIGVPOIEKRS-UHFFFAOYSA-N 221.344 3.814 30 20 BHED CCCCCCCCN[C@@H](CC)[C@H]1CCOC1 310263507 DOYDVKKJBMTSGT-GJZGRUSLSA-N 241.419 3.752 30 20 BHED C=CCCCCC[C@H](C)NCC1(SC)CC1 381600693 NMPIQHWNQDTUMY-ZDUSSCGKSA-N 241.444 3.997 30 20 BHED C=CCC(C)(C)CN[C@@H](C)Cc1ccccc1F 386897077 YKNLXBOKQRRKCY-ZDUSSCGKSA-N 249.373 3.949 30 20 BHED C=C(C)C(C)(C)C(=O)N1CCCCC(C)(C)C1 424795100 FSFBUEQGDBRKKA-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CCCCSCc1cc(C#N)ccc1OC 434940664 YGGLYHIDSGLKPQ-UHFFFAOYSA-N 247.363 3.766 30 20 BHED C=CCC(C)(C)C(=O)N(C)C1CCC(C)CC1 459876047 CIOFZSHPCFWIQJ-UHFFFAOYSA-N 237.387 3.626 30 20 BHED C=C[C@H](C)NC(=O)Nc1cccc(C(C)C)c1 465178754 VDTJDUFYZNJFJQ-NSHDSACASA-N 232.327 3.506 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccccc1N(C)C 467407995 VRJMXCMWSCOOPT-KGLIPLIRSA-N 246.398 3.758 30 20 BHED CCC(CC)N(Cc1cc(C#N)cs1)C1CC1 535080833 DOWLJYPHISJGOM-UHFFFAOYSA-N 248.395 3.773 30 20 BHED CC(C)[C@@H]1CCC[C@H](Nc2cnccc2C#N)C1 537655692 FEELAKVKLQFEFJ-OCCSQVGLSA-N 243.354 3.580 30 20 BHED CC(C)C[C@@H](C)CNCC1CCC(C#N)CC1 558407115 DERIXNDZUGFOSX-WLYUNCDWSA-N 236.403 3.588 30 20 BHED C=CCC(C)(C)c1noc(C[C@H]2C=CCCC2)n1 560025116 OEDXZJYRRKBQQQ-LBPRGKRZSA-N 246.354 3.822 30 20 BHED C=CCCCCN1CCC[C@@H]1c1cccnc1 569426333 GUZHDBSRUSBVPH-OAHLLOKOSA-N 230.355 3.575 30 20 BHED C=CCN(Cc1ccc(O)cc1)c1ccccc1 600655023 WVZBYZDBUUUITF-UHFFFAOYSA-N 239.318 3.585 30 20 BHED N#CCC1(CN2CCC[C@H]2c2cccs2)CC1 602757225 SJSMGTGTMWMZDP-LBPRGKRZSA-N 246.379 3.579 30 20 BHED C=CCS[C@@H](C)c1ccc(F)cc1F 609633828 LKPXSDUEQAFNBK-QMMMGPOBSA-N 214.280 3.945 30 20 BHED Cc1ccc2c(c1)N(CC(C)(C)CCC#N)CC2 611561092 FHOWUAWITVJBEB-UHFFFAOYSA-N 242.366 3.688 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@]2(C)CCC[C@H]2C)C1 617779202 XDRHRZAQVNDGGG-IIAWOOMASA-N 249.398 3.627 30 20 BHED C=CCC1(NC(=O)c2ccccc2C)CCCC1 619106759 UVRDWYOMVIUMAR-UHFFFAOYSA-N 243.350 3.614 30 20 BHED C=CCCC(C)(C)NC(=O)C(CC=C)CC=C 620858413 GMCNVORPKUCWTL-UHFFFAOYSA-N 235.371 3.616 30 20 BHED C=CCCC[C@H](C)NC(=O)C(C)(C)CCC 649903694 UARNWELRUJMODY-LBPRGKRZSA-N 225.376 3.674 30 20 BHED C(=NNc1ccccc1)c1nccc2ccccc12 740759970 GLLBKAFAHAMKMN-UHFFFAOYSA-N 247.301 3.681 30 20 BHED COc1ccccc1/C=C1\CCCC(C)(C)C1=O 757534539 LWSOWAQGKMJCPW-ACCUITESSA-N 244.334 3.858 30 20 BHED CC[C@@H]1CCCC1=NNc1ccccc1F 758372697 ACOZGFHQKFLICY-SNVBAGLBSA-N 220.291 3.804 30 20 BHED C=CC[C@@H](N[C@@H](C)CCC1CC1)c1ccncc1 769412727 GJDSIUIZKBKCPI-XJKSGUPXSA-N 244.382 3.867 30 20 BHED C=CCCCCNC(=O)/C=C(\C)c1ccccc1 770083245 VCZDRLZFCUPNNE-BUHFOSPRSA-N 243.350 3.562 30 20 BHED C=CC[C@@H](NC1CC2(CCC2)C1)c1ccncc1 772879956 SIPGJCSMQFTOHU-OAHLLOKOSA-N 242.366 3.621 30 20 BHED CC(=NOC1CCCC1)c1cc(F)cc(F)c1 774596476 GIBDUHBUNOZQLV-UHFFFAOYSA-N 239.265 3.648 30 20 BHED CC(=NOC1CCCCC1)C1CCSCC1 777457609 YPJPQWDRXDCLDO-UHFFFAOYSA-N 241.400 3.855 30 20 BHED CC[C@@H]1CCCC1=NNc1cc(Cl)ccn1 777907612 XKSYMFQZDMILBS-SECBINFHSA-N 237.734 3.713 30 20 BHED CC[C@@H](C)NN=Cc1cc2ccccc2s1 790182324 IXILAOOMMMCNOS-SNVBAGLBSA-N 232.352 3.623 30 20 BHED C=CCC1(C(=O)OCc2ccccc2F)CCC1 791561152 VMFBTUTZHPHBAM-UHFFFAOYSA-N 248.297 3.615 30 20 BHED Cc1ccc(F)c(C=NNCC2(C)CCCC2)c1 793085030 VKFMRMVWWMGLAW-UHFFFAOYSA-N 248.345 3.638 30 20 BHED C=CCNN=CC[C@H](C)CCC=C(C)C 794999644 OKCNYQFEKDDOPQ-CYBMUJFWSA-N 208.349 3.520 30 20 BHED CC(=NOCc1ccccc1)c1cc(C)c(C)o1 799874627 STUBLGQXEZDADQ-UHFFFAOYSA-N 243.306 3.837 30 20 BHED CC(=NOCCC1CC1)[C@H](C)c1ccccc1 814246896 HHFNGJHGCDLZSN-LBPRGKRZSA-N 231.339 3.983 30 20 BHED C=CCCCCC(C)=NO[C@H]1CCCCO1 834967006 RGMFTKVPOQILBL-ZDUSSCGKSA-N 225.332 3.652 30 20 BHED C[C@@H](NN=C1CCCC12CCC2)C(C)(C)C 834981701 XCHKCDYVHUGDJL-LLVKDONJSA-N 222.376 3.721 30 20 BHED C#CCCCCC(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1 837157374 VRESFNYTSUAZQY-QLFBSQMISA-N 249.398 3.511 30 20 BHED C=CC(C)(C)CC(=O)Nc1cc(F)ccc1C 887613290 XPHWNRSPHNBMIF-UHFFFAOYSA-N 235.302 3.675 30 20 BHED CC(C)n1cncc1/C=C\C(=O)C1CCCCC1 901445715 PVKRAKFQKDZMEB-HJWRWDBZSA-N 246.354 3.627 30 20 BHED COc1cccc(/C=N\C2CCCCCC2)c1O 920942681 BBUCGYVYCSGSAD-WJDWOHSUSA-N 247.338 3.543 30 20 BHED C[C@@H]1CCC[C@@H]1NCCCCC1(C#N)CCC1 1333471047 KUQGPSJINQWDJF-KGLIPLIRSA-N 234.387 3.629 30 20 BHED CCCC1(CNc2cccc(CC#N)n2)CCC1 1338244327 SZDJRFXLMQTEGB-UHFFFAOYSA-N 243.354 3.530 30 20 BHED Cc1ccc(OCc2ccc(C#N)cc2)cc1C 11834244 ZMRVRSKOBWDUSZ-UHFFFAOYSA-N 237.302 3.754 30 20 BHED CC[C@@H](Nc1ncccc1C#N)C1CCCCC1 52341285 FCEYEGDIZNHDML-CQSZACIVSA-N 243.354 3.724 30 20 BHED C=C(C)CN1CCC[C@@H]1c1ccc(OCC)cc1 57626533 UHPQQVQXZCNDOG-MRXNPFEDSA-N 245.366 3.798 30 20 BHED N#Cc1ccccc1SC1CCCC1 58732992 FSWLILDBLWFFNA-UHFFFAOYSA-N 203.310 3.593 30 20 BHED C[C@H](N[C@H](C)CC#N)c1ccc(C(C)(C)C)cc1 68609707 LHSJXJUPSIANTM-OLZOCXBDSA-N 244.382 3.937 30 20 BHED CCc1ccc(C(=O)/C=C/c2ccc(F)cc2)o1 83982131 QDTVPBRDVYGQDT-WEVVVXLNSA-N 244.265 3.877 30 20 BHED CC(C)(C)CN(CCC#N)Cc1cccc(F)c1 109813785 BMTWGSLFERCRRH-UHFFFAOYSA-N 248.345 3.587 30 20 BHED C=CCC(CC=C)C(=O)Nc1cccc(C)c1 120863807 ZAMDPFKMDJZIPO-UHFFFAOYSA-N 229.323 3.702 30 20 BHED C=CCC[C@H](NCc1cc(C(C)C)no1)C1CC1 121183881 VZYYQOKTTVKTFL-AWEZNQCLSA-N 248.370 3.632 30 20 BHED CCCCCCCCNc1nccnc1Cl 126928462 UPTCWGFAICIPDX-UHFFFAOYSA-N 241.766 3.902 30 20 BHED C=C(Cl)CN1C(=O)c2cccc3cccc1c23 131891596 CRGNBMJYTWRHPZ-UHFFFAOYSA-N 243.693 3.553 30 20 BHED CCCCCCCS(=O)(=O)CCCCC 137712895 ZIXJVUQHQWGQTG-UHFFFAOYSA-N 234.405 3.562 30 20 BHED C=C[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 159055338 BIIRAPXKVZUNSC-QMMMGPOBSA-N 240.228 3.563 30 20 BHED C=C(Cl)CN[C@H](C)c1ccc(Cl)c(F)c1 161757194 ONBBKFLPMIYQRM-MRVPVSSYSA-N 248.128 3.882 30 20 BHED C=C(C)CCN[C@H]1CCCC[C@H]1C(C)C 168062614 YUMKQQKTBBWCFG-KBPBESRZSA-N 209.377 3.757 30 20 BHED C=CCCCC(=O)Nc1ccc2ncsc2c1 175323483 MDOHSMKUQOHPEG-UHFFFAOYSA-N 246.335 3.591 30 20 BHED Cc1ccccc1[C@H](CC(C)C)NCCCC#N 183253827 LBMAPQNSNCVIGN-INIZCTEOSA-N 244.382 3.976 30 20 BHED C=C(C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 245560140 WPAWRHSKAXLBNR-SOUVJXGZSA-N 249.398 3.627 30 20 BHED CCC[C@@H]1CCCC[C@H]1NCCCCC#N 310012992 JKJZGARJKAZFGL-ZIAGYGMSSA-N 222.376 3.629 30 20 BHED C[C@H](N(C)CCCCC(C)(C)C#N)C1(C)CC1 336706613 JKDQZSQFUIVCIF-ZDUSSCGKSA-N 236.403 3.827 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCc2c(F)ccc(F)c21 337656860 GIFPCMFLAVEFEP-NOZJJQNGSA-N 237.293 3.506 30 20 BHED CCCN(CCCC#N)[C@H]1CCc2ccccc21 346597819 WOWPHMOUVFJHOB-INIZCTEOSA-N 242.366 3.690 30 20 BHED C=CCN(Cc1ccccc1)Cc1ccsc1 351590080 QFSYIHLOMZEHNF-UHFFFAOYSA-N 243.375 3.936 30 20 BHED C=CC[C@@H](Cc1ccccc1)N[C@@H](C)C1CC1 414290573 ABVXJTFMTDGFRU-BBRMVZONSA-N 229.367 3.562 30 20 BHED C=C(C)CCN[C@H](C)[C@@H]1C[C@H]1c1cccs1 417352717 VRQXMBKAQJPWOQ-FRRDWIJNSA-N 235.396 3.796 30 20 BHED CCC1(CN[C@@H]2CC[C@@H](C#N)C2)CCCCC1 442841842 GYBFUCNDXWEJAF-ZIAGYGMSSA-N 234.387 3.629 30 20 BHED C=CCCC1(C(=O)N[C@@H]2C[C@@]2(CC)C(C)C)CC1 457282372 NBBRJQBHHUNDOR-CJNGLKHVSA-N 249.398 3.674 30 20 BHED C=C[C@@H]1CCCCN1CCCCOC(C)(C)C 489401928 JKQARJINUOKGRO-CQSZACIVSA-N 239.403 3.622 30 20 BHED C=CCC(C)(C)CNC[C@H]1C[C@H]1c1ccccc1 549829941 CVQWXSWJFAFYET-CVEARBPZSA-N 243.394 3.982 30 20 BHED C[C@@H](CN(C)CC(C)(C)C#N)C1CCCCC1 555545877 MVVKDHJAOABQGP-ZDUSSCGKSA-N 236.403 3.684 30 20 BHED C=CCC[C@@H](NC1CC(C(F)(F)F)C1)C1CC1 558294618 FKCYNZBTCDWOJG-HTAVTVPLSA-N 247.304 3.662 30 20 BHED C=C(CC)CN(Cc1ccc(OC)cc1)C1CC1 578459429 NYJWIDAUCXATSO-UHFFFAOYSA-N 245.366 3.626 30 20 BHED COc1cc(NC[C@H](C)CCC#N)c(C)cc1C 602644835 OMUHJDGOKSLJTC-LLVKDONJSA-N 246.354 3.664 30 20 BHED Cc1ccc(C(=O)/C=C\c2ccc(C)c(F)c2)o1 731489244 AVJKYJAPPNBJSG-SREVYHEPSA-N 244.265 3.932 30 20 BHED C=C(Cl)CN1C[C@@H](c2ccccc2)C[C@H]1C 734637259 DHUQSTUZTVNLEQ-OCCSQVGLSA-N 235.758 3.617 30 20 BHED C=CCN(Cc1ccccc1)C(=O)C(C)=C(C)C 751191777 VVPPIJCWJFDXDO-UHFFFAOYSA-N 243.350 3.558 30 20 BHED CCc1cnccc1C(=O)/C=C/c1cccs1 766771870 KXLRHMVXFIUGRS-AATRIKPKSA-N 243.331 3.602 30 20 BHED C#CCCCN(CCC)[C@H]1CCc2ccccc21 766896981 YCGUNUCTJZRIBM-KRWDZBQOSA-N 241.378 3.799 30 20 BHED CCC/C=C\C(=O)OCCCCC(C)(C)C#N 768598909 RLEYWPXEYAXVEZ-TWGQIWQCSA-N 237.343 3.606 30 20 BHED Cc1ccc(/C=C/C(=O)c2cscn2)c(C)c1 769266572 ZFYIKNZYLRJSFZ-AATRIKPKSA-N 243.331 3.656 30 20 BHED C[C@H]1CCCCC1=NOCCC(F)(F)F 777459809 LSPGLUUTODIAIJ-QMMMGPOBSA-N 223.238 3.522 30 20 BHED C=C[C@@](C)(CC)C(=O)Oc1ccccc1C 786609907 UKUMOQSJERJMNM-AWEZNQCLSA-N 218.296 3.503 30 20 BHED CC1(CNN=C2CCCCCC2)CCCC1 793083770 GPYHMCQIJQTKEJ-UHFFFAOYSA-N 222.376 3.867 30 20 BHED CCCC(CC)=NNc1cccc(Cl)n1 793174145 IWLMZIBBHCJONL-UHFFFAOYSA-N 225.723 3.713 30 20 BHED C=CCCC(CCC)=NO[C@H]1CCCCO1 814887789 RBHRFEJVCOOKNH-ZDUSSCGKSA-N 225.332 3.652 30 20 BHED C=CCCCCC[C@@H](C)NCC1(C#N)CCC1 841898952 RCKPSDOZUQOBRO-CQSZACIVSA-N 234.387 3.795 30 20 BHED CCCON=C1CCC(c2ccc(O)cc2)CC1 842550349 DWPOALIHZTZIHW-UHFFFAOYSA-N 247.338 3.832 30 20 BHED C=CCN(Cc1nsc2ccccc12)C(C)C 851731657 WXHKSONGPOPCIV-UHFFFAOYSA-N 246.379 3.693 30 20 BHED C#CCCCSC[C@H](CC)CC(F)F 853770791 PKILRDQHDLYFMV-SNVBAGLBSA-N 220.328 3.814 30 20 BHED CCCCCCCCC(=O)N1CC[C@@H](CF)C1 881665406 FNPDLCZGWXFOFB-ZDUSSCGKSA-N 243.366 3.555 30 20 BHED C=C[C@H](CC)CC(=O)Nc1ccc2[nH]ccc2c1 929761267 OBKHMOXMDYYATI-LLVKDONJSA-N 242.322 3.709 30 20 BHED Cc1cc(C#N)cc(N[C@@H](C)CCC2CC2)c1 1462334600 CERHTXPXUCPNGE-LBPRGKRZSA-N 228.339 3.857 30 20 BHED Cc1cc(Oc2cc(C)c(C#N)cn2)ccc1F 1655260998 NUYZFTVMKKNBAD-UHFFFAOYSA-N 242.253 3.502 30 20 BHED CCC1(Nc2nc(C(C)(C)C)ccc2C#N)CC1 1655499856 WIQFDCJNTXRIHO-UHFFFAOYSA-N 243.354 3.605 30 20 BHED C=C(C)CNC(=S)Nc1cccc(C(C)C)c1 16243483 ZHNIYOUKDMSFQN-UHFFFAOYSA-N 248.395 3.673 30 20 BHED Cc1ccccc1NCc1cc(C#N)ccc1F 20056225 AXIMVRSAJOZSTK-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CN(c1cc(Cl)ccc1C#N)C1CCCCC1 62789831 OFQYYVSOWDCFCK-UHFFFAOYSA-N 248.757 3.981 30 20 BHED Cc1nc(CSc2ccc(C#N)cc2)cs1 67945266 LXOOAPDNKMOOAE-UHFFFAOYSA-N 246.360 3.616 30 20 BHED C=CCOc1ccc(CN[C@H]2CCC[C@@H]2C)cc1 71205955 MEXMVCVPXIYWOU-BBRMVZONSA-N 245.366 3.530 30 20 BHED N#CCCN(CCCC1CCCC1)CC1CC1 121678753 YYHFQOQLIIGPIM-UHFFFAOYSA-N 234.387 3.582 30 20 BHED Cc1ccnc(NCCC2=CCCCC2)c1C#N 135065303 CSAPSCKKELHHJJ-UHFFFAOYSA-N 241.338 3.564 30 20 BHED C=CCCCSCc1cnc(Cl)s1 161806570 XXUFIWDXOPVCQU-UHFFFAOYSA-N 233.789 3.996 30 20 BHED C=CC[C@@H](C)N[C@H](CC)c1ccc2c(c1)CCO2 163315920 GHXWDCGXODMRAP-IUODEOHRSA-N 245.366 3.627 30 20 BHED C=CCCCC(=O)Nc1cccc2cnccc12 175195535 JMMQPFSKUGIHSY-UHFFFAOYSA-N 240.306 3.530 30 20 BHED C=CCCCC(=O)N1CCC[C@@H]1[C@@H](C)CCC 178112450 RFWRWAAMUNYVGN-UONOGXRCSA-N 237.387 3.770 30 20 BHED C=CCCC(=O)NCC[C@@H](C)CC(C)(C)C 188868833 NDDPMMKSVMSFOB-GFCCVEGCSA-N 225.376 3.531 30 20 BHED CC1(C)C[C@H]1CNc1cc(Cl)ccc1C#N 227652214 PTKVCDWVYAPUDI-JTQLQIEISA-N 234.730 3.670 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 248609228 PZGNMNUAXDIBGH-UMVBOHGHSA-N 249.398 3.696 30 20 BHED C=CCC[C@@H](NCc1ccoc1)c1ccco1 285511871 ARGWWZWFZHTKAF-CYBMUJFWSA-N 231.295 3.670 30 20 BHED N#C[C@@H]1CC[C@@H](Sc2ccc(F)cc2F)C1 295690419 IGFYSVNIKFHYPG-PSASIEDQSA-N 239.290 3.749 30 20 BHED C=CC[C@H](CC)Nc1nc(C)c(C)s1 308576115 DLFKBLVXDIWFRQ-JTQLQIEISA-N 210.346 3.527 30 20 BHED CC[C@@H](Nc1cccc(OCC#N)c1)C1CCC1 322577700 UCTZKYPLXLSYMN-OAHLLOKOSA-N 244.338 3.580 30 20 BHED CC(C)(C#N)CCSCCCCCF 340627935 NYAANRDEWPHDSF-UHFFFAOYSA-N 217.353 3.799 30 20 BHED C=CCc1cccc(F)c1OCCC(F)(F)F 424096302 BXXRQNNNKVBXTR-UHFFFAOYSA-N 248.219 3.885 30 20 BHED C=CCC(C)(C)C(=O)NCc1ccc(C)cc1C 429848590 QMXKIGMPKMZSPD-UHFFFAOYSA-N 245.366 3.522 30 20 BHED CC(C)C[C@@H](C)C[C@H](C)NCC1(CC#N)CC1 430731531 WIAMZHMECFDFJB-KGLIPLIRSA-N 236.403 3.731 30 20 BHED C=CCC[C@@H](NCc1ccc(C)cc1)C1CC1 439076941 HTJHPILOPYZEJH-MRXNPFEDSA-N 229.367 3.829 30 20 BHED C=CC[C@@H](CC)Nc1ncnc2cccc(C)c12 440644490 UTSBDBBDPWJCEF-GFCCVEGCSA-N 241.338 3.705 30 20 BHED C=C(C)CCN1CCc2cc(Cl)ccc2C1 510744707 IGGZPHFELOCLFJ-UHFFFAOYSA-N 235.758 3.664 30 20 BHED C=C(C)CN(CC)C[C@@H]1CCCC(F)(F)C1 513968040 VHESKXBETBMUSR-GFCCVEGCSA-N 231.330 3.710 30 20 BHED CCC[C@@H](CC)Sc1cccc(C#N)n1 530430777 PAQYDTSSEISVCF-LLVKDONJSA-N 220.341 3.624 30 20 BHED C=CCCCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 531122433 DLEKKKUTLJBWQW-ZNMIVQPWSA-N 249.398 3.770 30 20 BHED C=CCCCCN1C[C@@H](C)C[C@@H]1c1cccnc1 562703250 ZURITSBRTRMYQH-GOEBONIOSA-N 244.382 3.821 30 20 BHED C[C@H](c1noc(CCCCCC#N)n1)C(C)(C)C 589129213 XQDCFDDTZLNZQZ-LLVKDONJSA-N 249.358 3.846 30 20 BHED CC[C@H](NCC1(C#N)CC1)c1cc(C)ccc1C 599640614 LFBKEOSGCJPWDZ-HNNXBMFYSA-N 242.366 3.648 30 20 BHED CC(C)c1ccc(CN(C)CC#N)c(C(C)C)c1 609039906 UBTRLJWVRFHCIN-UHFFFAOYSA-N 244.382 3.889 30 20 BHED C=CC[C@H](CC)NC1CCC(F)(F)CC1 647302681 MDIDKKKVLOYVQV-JTQLQIEISA-N 217.303 3.509 30 20 BHED C=CCCCN1CC[C@@H]1c1cccc(F)c1 674008791 CUFFAEKSJJFDTE-CQSZACIVSA-N 219.303 3.539 30 20 BHED C=CCN(CC(=C)Cl)CC1CCCCC1 732694958 GORRUPFNYPTQIU-UHFFFAOYSA-N 227.779 3.807 30 20 BHED C[C@@H](CCC(C)(C)C)C(=O)OCCCCC#N 755144072 SFNVZHFJKBSURS-LBPRGKRZSA-N 239.359 3.686 30 20 BHED CC(CC1CC1)=NNCc1cccc(Cl)c1 756826646 DGDBNKJGMRCCPX-UHFFFAOYSA-N 236.746 3.606 30 20 BHED CCCCC(CC)=NOCC(F)(F)F 764847261 WOPJIFDREIIIQG-UHFFFAOYSA-N 211.227 3.522 30 20 BHED C#CCCCCN[C@H]1C[C@H](C)c2c(C)cccc21 773033455 AESZBIQXQNVYMG-HOCLYGCPSA-N 241.378 3.936 30 20 BHED C#CCCCCNC[C@H](CCC)c1ccccc1 776248592 LYSRTYMDBFNWRK-KRWDZBQOSA-N 243.394 3.963 30 20 BHED CC1(C)CCC(=NNc2ccnc(F)c2)CC1 781131723 BBZCKKUQJRLRGM-UHFFFAOYSA-N 235.306 3.589 30 20 BHED Cc1ccsc1C=NN[C@H]1CCCC1(C)C 782289372 WWNYRUDDVIRMCU-LBPRGKRZSA-N 236.384 3.559 30 20 BHED CCCC(=NOCCSC)c1ccsc1 794573690 HQNWTRULXOGEGF-UHFFFAOYSA-N 243.397 3.632 30 20 BHED C#CCCN(C[C@@H](C)C(C)(C)C)CC(F)(F)F 802649655 OJWOHISSCPSASL-LLVKDONJSA-N 249.320 3.556 30 20 BHED CCC[C@H](C)c1noc(CCCCCC#N)n1 809359492 PESULMGTFXFOAV-NSHDSACASA-N 235.331 3.600 30 20 BHED C(=NOCCC1CC1)[C@H]1C[C@H]1c1ccccc1 814245195 LGPXQNWOEJKYFL-CABCVRRESA-N 229.323 3.593 30 20 BHED CCC1(C(=O)O[C@H]2CCC[C@@H](C#N)C2)CCCC1 839053139 IKCXVETZAVZPRR-OLZOCXBDSA-N 249.354 3.582 30 20 BHED C=CCN(C(=O)[C@H](C)c1ccc(C)o1)C(C)(C)C 857651004 NZSGNINSBVEVKM-GFCCVEGCSA-N 249.354 3.505 30 20 BHED C=C(CC)C(=O)N(CC)[C@H](CC)c1ccccc1 1123631493 VEBBEODKRXNUJV-OAHLLOKOSA-N 245.366 3.952 30 20 BHED Cc1ccccc1[C@H](N[C@@H](C)CCC#N)C1CC1 1331330068 NTIUJOKRFJRNIX-XJKSGUPXSA-N 242.366 3.728 30 20 BHED CCC(CC)CN(CCC#N)CCC1CCC1 1473204486 SMAMBAQCCUZRBP-UHFFFAOYSA-N 236.403 3.828 30 20 BHED CCC(CC)(CC)CNc1cc(C)c(C#N)cn1 1559137780 MGLGMDHIBBWTCC-UHFFFAOYSA-N 245.370 3.890 30 20 BHED CC(C)CC1CCN(C[C@@H](C)CCC#N)CC1 1659027218 SMGKIHHVMUVLCB-AWEZNQCLSA-N 236.403 3.684 30 20 BHED CCc1ccc(Nc2nc(C)ccc2C#N)cc1 43399064 UOTZASMCGHIKHK-UHFFFAOYSA-N 237.306 3.568 30 20 BHED C=C(Br)CN(CCCCC)C(C)C 57753804 DZHQZVOARXJKDO-UHFFFAOYSA-N 248.208 3.796 30 20 BHED C=CCN(C)Cc1ccc(SC(F)F)cc1 64571650 CYPIOYGSAJEANZ-UHFFFAOYSA-N 243.322 3.619 30 20 BHED C[C@H]1C[C@H](Nc2cccc(C#N)c2)CC[C@H]1C 84981843 ZBNRQQOUZNVXFA-TYNCELHUSA-N 228.339 3.795 30 20 BHED C=C(CC)CNc1ccc(C#N)c(Cl)c1 85057337 KOQWMVSSNQEEAA-UHFFFAOYSA-N 220.703 3.590 30 20 BHED C[C@@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)[C@@H]1C 85097830 ZYHUIAUXPYQASP-XJKCOSOUSA-N 242.366 3.989 30 20 BHED CC(C)(C#N)CCCN1CCC2(CCCC2)CC1 87608722 BPMSNSSJLFALOJ-UHFFFAOYSA-N 248.414 3.973 30 20 BHED C#CCCCOC(=O)CC[C@@H](C)c1ccccc1 160511013 NTWDCUAQCYISPP-CQSZACIVSA-N 244.334 3.527 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc(CC)s1 161672235 OMSWKVNXIUCUMD-WDEREUQCSA-N 223.385 3.926 30 20 BHED C=CCCCC(=O)N1CCC[C@@H]1CCC(C)C 178103563 WYKXDCGYBQSNRC-CQSZACIVSA-N 237.387 3.770 30 20 BHED C=C(C)CN(C)C(=O)[C@H](C)CC1CCCCC1 180476822 JQSFHPIEWHFYGU-CYBMUJFWSA-N 237.387 3.627 30 20 BHED CC(C)(C)CN(CCCC#N)CC(C)(C)C 182083409 LQIJUHHJEBQMAK-UHFFFAOYSA-N 224.392 3.684 30 20 BHED CC#CCCCC(=O)Nc1c(C)cc(C)cc1C 184861862 RPDPZMMJVMYOMM-UHFFFAOYSA-N 243.350 3.744 30 20 BHED Cc1cc(F)ccc1N[C@@H]1CCC[C@@H](C#N)C1 185733077 HUGBGVYVOPYOOF-DGCLKSJQSA-N 232.302 3.628 30 20 BHED C=CCC[C@@H](C(=O)N[C@@H](C)CC)c1ccccc1 189361880 BSGYAHVZYLQIQI-DZGCQCFKSA-N 245.366 3.651 30 20 BHED C[C@H]1CCC[C@H](COc2cccc(C#N)c2)C1 302472156 ZMDHRMLTHFBVSR-JSGCOSHPSA-N 229.323 3.763 30 20 BHED C=CC[C@@H](CC)Nc1nc2ccccc2o1 310005126 GHOJTNPCZDGVPA-SNVBAGLBSA-N 216.284 3.594 30 20 BHED C=CCCC[C@H](C)N[C@@H](CC)c1nccs1 336749371 YUNCGQIKHFDOSS-RYUDHWBXSA-N 238.400 3.929 30 20 BHED C=CC[C@H](C)NC(=O)c1cccc2ccsc12 342062952 VFNUBLLKYPKDTJ-JTQLQIEISA-N 245.347 3.596 30 20 BHED Cc1ccc([C@H]2CCC[C@@H]2NCCCC#N)cc1 346823682 HOEKUWCEGYVPRB-CVEARBPZSA-N 242.366 3.525 30 20 BHED C=C(C)CCN[C@H](CC)c1ccc(OC)cc1 351732910 VTNWBNLQOSZOQG-OAHLLOKOSA-N 233.355 3.702 30 20 BHED C=CCCC1(C(=O)N2CCCCC[C@@H]2C)CC1 361707314 VLDSOYFSVICSLZ-ZDUSSCGKSA-N 235.371 3.524 30 20 BHED C=CCCCCN[C@H](C)c1nc(C)sc1C 380569326 NYRSUGLLJNHHGW-SNVBAGLBSA-N 238.400 3.767 30 20 BHED C=CCC(C)(C)CN[C@H](C)CC1CCC1 381887535 PTXIIDPGVKXBRG-GFCCVEGCSA-N 209.377 3.757 30 20 BHED CN(CCC1(C#N)CCCCC1)Cc1ccoc1 411198581 ZLYRUQHOMHWVPI-UHFFFAOYSA-N 246.354 3.576 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 424698086 UHCVXARKVQHYMY-MGPQQGTHSA-N 249.398 3.674 30 20 BHED C=CCN(C)Cc1c(Cl)cccc1CC 475102948 VVWXAWPDXIRTEJ-UHFFFAOYSA-N 223.747 3.520 30 20 BHED C=CCCCCCN1CCC[C@@H]1c1cc(C)no1 486809488 NUORYXFQJXFJRD-CQSZACIVSA-N 248.370 3.866 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@H](CCC)C(C)C 488825568 YZPZXVNLVXTKMQ-UONOGXRCSA-N 237.387 3.626 30 20 BHED C=C(CC)CN[C@@H](c1ccc(OC)cc1)C(C)C 537040311 RWHQIKRRQZSCBY-MRXNPFEDSA-N 247.382 3.948 30 20 BHED C=CC(C)(C)CNC(=O)C[C@H]1CCCC[C@H]1C 556396384 LOCPFKLBMXCJFE-CHWSQXEVSA-N 237.387 3.531 30 20 BHED CC[C@H](N[C@H](C)c1cccc(C#N)c1)[C@H]1C[C@@H]1C 591239791 WGXJKNKPWAFBQC-VZAMPYOESA-N 242.366 3.643 30 20 BHED N#C[C@@H]1CC[C@@H](NC2CCC(C3CCC3)CC2)C1 594943414 DDEHDCGXBFYACC-TWRYWWQQSA-N 246.398 3.627 30 20 BHED CC[C@@H](c1ccccc1)N1CCC[C@H](CC#N)C1 595613321 AWZUPUGWBAOCDF-ZBFHGGJFSA-N 242.366 3.763 30 20 BHED CC[C@@H]1CCCC[C@H]1c1noc([C@@H](C)CC#N)n1 596603542 WBSGEDVWXVQPBI-QJPTWQEYSA-N 247.342 3.771 30 20 BHED C=CCCC(C)(C)NC(=O)CC[C@@H](C)CC 620857320 WZZDDOCJVHWGQA-LBPRGKRZSA-N 225.376 3.674 30 20 BHED C=CC1CCN(C[C@@H](CC)CC(F)F)CC1 659915056 DLAQOJPIZWYEPH-LBPRGKRZSA-N 231.330 3.566 30 20 BHED CCC#C[C@H](C)N[C@@H](c1ccccc1)C1CC1 678893961 XFMXMTLTNAJHFD-BBRMVZONSA-N 227.351 3.529 30 20 BHED C#C[C@H](NC1CC(c2ccccc2)C1)C(C)(C)C 702246028 LMZIIZFQLNGZBP-GPANFISMSA-N 241.378 3.570 30 20 BHED C[C@@H](CCC#N)N1CCC[C@H](C2CCCCC2)C1 708235443 GCAHUJBRPAKUIE-HOCLYGCPSA-N 248.414 3.971 30 20 BHED C[C@@H]1CCC[C@H](N[C@H](C)CC(C)(C)C#N)CC1 709997572 KUSHFDBVUMIMDG-MCIONIFRSA-N 236.403 3.873 30 20 BHED CCCCNN=C(C(C)C)C1CCCCC1 733901800 VKMVURBLLFVUCW-UHFFFAOYSA-N 224.392 3.968 30 20 BHED COc1cccc(NN=C2CCC[C@H]2C(C)C)c1 747750666 CIJOMFCPFHSVEF-AWEZNQCLSA-N 246.354 3.919 30 20 BHED CC(=NNc1ccc(F)cc1C)c1occc1C 750938882 PVDKRUDATHAJBJ-UHFFFAOYSA-N 246.285 3.872 30 20 BHED C#CCCCC(=O)Nc1cccc2ccsc12 757985972 ZTBQJMKAVGREMN-UHFFFAOYSA-N 243.331 3.643 30 20 BHED CC(=NNc1ccc(C)cc1)c1occc1C 767742756 DIFZEYNRYZGVNA-UHFFFAOYSA-N 228.295 3.733 30 20 BHED CCC(CC)NN=C[C@H]1CCC[C@H](C)C1 768361738 IDJACELIVMKXEG-RYUDHWBXSA-N 210.365 3.577 30 20 BHED CCCc1cccc(C=NO[C@@H]2CCCCO2)c1 774392242 DYOJZEFCPSXZQP-OAHLLOKOSA-N 247.338 3.516 30 20 BHED CC(C)=CCC[C@H](C)CC=NN=c1cc[nH]cc1 779809912 UANJKGOPJBRVEU-AWEZNQCLSA-N 245.370 3.674 30 20 BHED Cc1ccc(F)cc1C=NNCC1(C)CCCC1 793089065 DURCVTSTBHZUCL-UHFFFAOYSA-N 248.345 3.638 30 20 BHED C=CCNN=C1CCC[C@@H](C(C)(C)C)CC1 794993561 DDTUNRIUOYVTNE-GFCCVEGCSA-N 222.376 3.744 30 20 BHED COc1ccccc1CON=C[C@H]1CC[C@@H](C)C1 800817835 VPJOHEGPJWQUMG-OLZOCXBDSA-N 247.338 3.634 30 20 BHED FCCC[C@@H]1CCCC1=NOC/C=C\Cl 811671073 MZRATQFUFOVDGR-OOULPDLPSA-N 233.714 3.661 30 20 BHED CC[C@H](C=NOC/C=C/Cl)c1ccccc1 814933900 DXAXGYMAISXDDQ-KWNYQUBCSA-N 237.730 3.935 30 20 BHED Fc1ccccc1NN=C1CCCC12CCC2 834936608 AHVPSPWSDYNWJI-UHFFFAOYSA-N 232.302 3.948 30 20 BHED CC1=C(C)C[C@@H](C(=O)OC2(CC#N)CCC2)CC1 842788626 HCWLTKGHRAKEPK-ZDUSSCGKSA-N 247.338 3.502 30 20 BHED C=CCCC(C)(C)NC(=O)/C(C)=C(/C)CC 856374092 MNFDOGZKWUNMMD-QXMHVHEDSA-N 223.360 3.594 30 20 BHED C[C@@H](C#N)N(CCC1CCCCCC1)C1CC1 1171821166 XAMMKPPPROCTKG-ZDUSSCGKSA-N 234.387 3.723 30 20 BHED CCc1ccc(C(C)=NOC(C)(C)C)cc1 1253788686 IKHMLSIQKXPTSD-UHFFFAOYSA-N 219.328 3.788 30 20 BHED C=C(C)CCC(=O)Nc1cccc(C(=O)CC)c1 1340101984 PQOYPRJKJNRYEA-UHFFFAOYSA-N 245.322 3.574 30 20 BHED C=C(B1OC(C)(C)C(C)(C)O1)c1cccc(C)c1 1857791298 BLDULZCXCVAHPE-UHFFFAOYSA-N 244.143 3.640 30 20 BHED C#CCSc1nc(-c2ccccc2)cs1 6157398 QWYQHZVLFJMXEX-UHFFFAOYSA-N 231.345 3.535 30 20 BHED Cc1ccsc1/C=C/C(=O)c1cccc(O)c1 41106838 PXPAFZBFANCDIA-AATRIKPKSA-N 244.315 3.658 30 20 BHED Cc1cccc(OCCC(C)(C)C#N)c1C 57713657 FJORDKBDTJCTQV-UHFFFAOYSA-N 217.312 3.622 30 20 BHED C=CC[C@H](C)NCc1ccccc1OC(C)C 116927093 PXYXVCFFMFEIAY-ZDUSSCGKSA-N 233.355 3.528 30 20 BHED C=CCOc1ccc(-c2csc(C)n2)cc1 131652411 LXMBKHDNNAJUKA-UHFFFAOYSA-N 231.320 3.683 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc(Cl)s1 157231823 YYAZLJWXMUIFMV-HTQZYQBOSA-N 215.749 3.627 30 20 BHED C=CC[C@H](C)N[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21 168834387 PXYJDXHWHDLUQU-FRRDWIJNSA-N 245.366 3.803 30 20 BHED C=CCCCN[C@H](CC)c1ccc(OC)cc1 181824596 DGYDAMNIYCYQPJ-OAHLLOKOSA-N 233.355 3.702 30 20 BHED CCN(CC(C)C)[C@H](C)c1cccc(C#N)c1 189783037 IEESOYMXRURMJO-CYBMUJFWSA-N 230.355 3.597 30 20 BHED Cc1cccc(C)c1CSCCCC#N 190953956 MIYDZDHTEKMJNG-UHFFFAOYSA-N 219.353 3.840 30 20 BHED CC(C)CC[C@@H](C)Nc1cc(F)cc(C#N)c1 227619013 TZLFNGGOBJWUOJ-LLVKDONJSA-N 234.318 3.934 30 20 BHED Cc1ccc(C#N)c(NCC(C(C)C)C(C)C)n1 229567694 XZOMZIVMJIMRHK-UHFFFAOYSA-N 245.370 3.602 30 20 BHED C=CCCCCCN[C@H](C)c1ccc(C#N)cc1 235204586 DWABQLRQKQOQTA-CQSZACIVSA-N 242.366 3.955 30 20 BHED CC[C@@H](C)C[C@@H](C)Nc1c(C#N)cccc1C#N 302869140 AUHGGCPPIUHQPV-VXGBXAGGSA-N 241.338 3.667 30 20 BHED C=CCCCOc1ccc(OC(C)C)cc1 303776648 CITRTKSMVNNAIN-UHFFFAOYSA-N 220.312 3.819 30 20 BHED C=CCN(CCSCC)CC1CCCCC1 303852673 DYTNIOAJIWXEBH-UHFFFAOYSA-N 241.444 3.808 30 20 BHED C=C(CC)CN[C@@H](C)c1cc(C)ccc1OC 313479699 HRJARGFDUQOSEC-ZDUSSCGKSA-N 233.355 3.620 30 20 BHED Cc1c(Cl)cnc(N[C@H]2CCC[C@@H]2C)c1C#N 336919189 FDYCECXDUBQBFZ-UFBFGSQYSA-N 249.745 3.516 30 20 BHED C=CCCOc1cc(C)cc2ccc(C)nc12 339027730 QSLZBOBGXNVAJR-UHFFFAOYSA-N 227.307 3.807 30 20 BHED C[C@@H]1CCC[C@@H](C)C1NCC(C)(C)CCC#N 348206480 LUGHBDQEODZPAE-CHWSQXEVSA-N 236.403 3.731 30 20 BHED C[C@H]1C[C@@H](c2ccccc2)CCN1CCCC#N 374174073 IMACMZCZDFNEBX-HOCLYGCPSA-N 242.366 3.558 30 20 BHED C=CCCCC(=O)N[C@H]1CCC[C@@H]1C(C)(C)C 412826219 QHFWNALPACOROR-STQMWFEESA-N 237.387 3.674 30 20 BHED C[C@H]1CC[C@H](SCCC(C)(C)C#N)C1 419475653 NHWSHBWDSXKYTK-QWRGUYRKSA-N 211.374 3.848 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1cc(C)oc1C 424614779 JKZFFHRIZAWTRL-NSHDSACASA-N 249.354 3.676 30 20 BHED CC(C)=CCC[C@@H](C)Nc1cccc(C#N)n1 450680493 YNEJXHPWOZDIDZ-GFCCVEGCSA-N 229.327 3.500 30 20 BHED CC#CCCN1CCC[C@@H]1c1ccc(Cl)cc1 462318091 VODXAMVYXCLOCX-OAHLLOKOSA-N 247.769 3.890 30 20 BHED C/C(=C\c1ccccc1)CN(C)CCCCC#N 494261646 HKTWQAMQLLNPKW-FYWRMAATSA-N 242.366 3.716 30 20 BHED C=CCCCCCN(C)Cc1ccccc1C#N 523552207 RPIPJCUEMAMNRA-UHFFFAOYSA-N 242.366 3.736 30 20 BHED C=CCCCN1CCC[C@@H]1c1cccc(F)c1 605149989 BQBWAKXSSXKFJU-OAHLLOKOSA-N 233.330 3.929 30 20 BHED C[C@H](CCC1CCCCC1)NCC(C)(C)C#N 613540434 ZEZIIBWAHFHCRL-CYBMUJFWSA-N 236.403 3.875 30 20 BHED C=CC(C)(C)C(=O)N1CC[C@@H](C2CCCCC2)C1 618188168 VDKRPTMEJHPNEV-CQSZACIVSA-N 249.398 3.627 30 20 BHED C=CCN(C(=O)CCCC(C)(C)C)C(C)C 728810932 XRPYQWPZDIKFPN-UHFFFAOYSA-N 225.376 3.626 30 20 BHED CC(=NOCC1CCC1)c1cc2ccccc2o1 753821843 OQRYRKTYKTXCDR-UHFFFAOYSA-N 243.306 3.974 30 20 BHED C=C[C@H](C)NC(=S)Nc1cccc(C(C)C)c1 756797598 ODWFGADYGPEYIQ-NSHDSACASA-N 248.395 3.671 30 20 BHED Fc1cc(F)cc(NN=C2CC3(CCC3)C2)c1 772839632 DRRFPHOABLEGIS-UHFFFAOYSA-N 236.265 3.697 30 20 BHED C#CCCCCN[C@@H](C)c1cc2ccccc2[nH]1 775626102 ABHGURNGZMRDQX-ZDUSSCGKSA-N 240.350 3.622 30 20 BHED C=C[C@@H](OC(=O)[C@H](C)CC)c1ccccc1 851453257 PKGHZXJBYKIZGU-DGCLKSJQSA-N 218.296 3.503 30 20 BHED C[C@H]1CCC[C@@H](Nc2cccc(CC#N)n2)CC1 1320625755 VUCXOYLMLASFGB-QWHCGFSZSA-N 243.354 3.528 30 20 BHED CC[C@H](CC#N)N[C@H](C)c1cccc(Cl)c1 38092342 IVPFDOYVXWLSCC-ZWNOBZJWSA-N 236.746 3.683 30 20 BHED CCCN(CC#N)Cc1ccc(C(C)C)cc1 45092544 BRHGDYWFFBVHPB-UHFFFAOYSA-N 230.355 3.546 30 20 BHED C=CCN(Cc1ccccc1)C(=O)CCC(C)C 45934713 PYAPAIQAXLELKZ-UHFFFAOYSA-N 245.366 3.637 30 20 BHED CC[C@@H](C)CN(C)c1cc(Cl)ccc1C#N 62789895 BBOBXGCOIGAHPF-SNVBAGLBSA-N 236.746 3.694 30 20 BHED CC[C@@H](c1ccccc1)[S@@](=O)CCCCC#N 78742709 CWFHYSKOXFRVTK-WMLDXEAASA-N 249.379 3.580 30 20 BHED C#CCCCNc1ccccc1C(C)C 161051776 WBHDJXYBFUBGEN-UHFFFAOYSA-N 201.313 3.635 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCc2ccc(C)cc21 161653610 XQCURIFTRWJSBW-IUODEOHRSA-N 215.340 3.537 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1sccc1C 161679880 XXAIPBBKVPFDHA-MNOVXSKESA-N 209.358 3.672 30 20 BHED N#CCC1(COC(=O)CCCC2CCCC2)CC1 174746668 AOQNGSCCSHFHKY-UHFFFAOYSA-N 249.354 3.584 30 20 BHED C=CCCCNc1ccc2c(c1)C(=O)CCC2 175158789 RVLTXFMIGOWWGP-UHFFFAOYSA-N 229.323 3.584 30 20 BHED C=C(C)CN(CC)[C@H](C)c1nc2ccccc2o1 180940073 STUXZWGPCQPQDS-GFCCVEGCSA-N 244.338 3.787 30 20 BHED C=CCN[C@H](CCC)c1ccc(F)cc1F 181666435 PQMQNKJRUCGLKR-CYBMUJFWSA-N 225.282 3.582 30 20 BHED C[C@H](CC1CCCCC1)NCc1ccc(C#N)o1 193274460 YUBSQWPNLZOCIK-GFCCVEGCSA-N 246.354 3.600 30 20 BHED COCc1ccc(NCC(C)(C)CCC#N)cc1 195462994 BPQBVINDAMITIN-UHFFFAOYSA-N 246.354 3.575 30 20 BHED Cc1ccc(C(=O)/C=C\c2ccsc2)cc1 206087245 NJEMJZJDOXBRGI-DAXSKMNVSA-N 228.316 3.953 30 20 BHED Cc1cc(C)c(C#N)c(SCCC(C)C)n1 220302803 VMVFTXPYWJOTQM-UHFFFAOYSA-N 234.368 3.708 30 20 BHED C=CCNc1ccc(Br)c(Cl)c1 227595822 GZDWDTHVQOVURW-UHFFFAOYSA-N 246.535 3.700 30 20 BHED C=CCCC(=O)N[C@H](C)c1ccc(SC)cc1 281386473 VEURYCKGCKRYLO-LLVKDONJSA-N 249.379 3.552 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1cc(F)ccc1O 281607134 MQSLZCAQNCUQCM-CMPLNLGQSA-N 237.318 3.537 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccc(Cl)nc1 281801402 YIOBXEPIMKRUDU-JQWIXIFHSA-N 238.762 3.740 30 20 BHED CN(c1cccc(C#N)n1)C1CCCCCCC1 301822541 HFRGQYHYPACFCA-UHFFFAOYSA-N 243.354 3.502 30 20 BHED C=C(Cl)CNC[C@H](C)c1cccc(Cl)c1 308928777 DTFZVGCREDAWNH-VIFPVBQESA-N 244.165 3.786 30 20 BHED C#C[C@H](NCc1ccc(Cl)s1)C(C)(C)C 309024430 ZAWVJURCQFNHLH-JTQLQIEISA-N 241.787 3.539 30 20 BHED C=C(C)CCNc1cccc2ccn(C)c12 309598168 JEGDIHLQKSJBAD-UHFFFAOYSA-N 214.312 3.556 30 20 BHED Cc1cc(Cl)cc2c1N(CCCC#N)CCC2 342594045 FRAZJNODRWPQHX-UHFFFAOYSA-N 248.757 3.705 30 20 BHED C[C@H]1CCCN(CC2(C#N)CC2)c2ccccc21 348811383 TYGCMSKZRSIPOI-ZDUSSCGKSA-N 240.350 3.694 30 20 BHED C=CCCC[C@@H](C)N[C@H]1CCC[C@H]2C[C@H]21 378732507 LMUAEQCVRZVTFQ-RQJABVFESA-N 207.361 3.509 30 20 BHED C=CCN(CC1CCCCC1)[C@H](C)CCC#N 411258054 LIRUQRDHHBFNAI-CQSZACIVSA-N 234.387 3.747 30 20 BHED C=C[C@@H]1CCCCN1C[C@H]1C[C@@H]1c1ccccc1 426542347 DXMOQVAEXUQWGD-BRWVUGGUSA-N 241.378 3.831 30 20 BHED CCOCCCS[C@H](C)c1cccc(C#N)c1 443137973 DNBFNPOIZAWFFQ-GFCCVEGCSA-N 249.379 3.779 30 20 BHED C=CCC(C)(C)CN[C@H](CC)c1ccncc1 453244847 STUBKXWBNGXPKF-CQSZACIVSA-N 232.371 3.725 30 20 BHED C=CCC[C@H](C(=O)OC(C)C)c1ccccc1 494861369 OYEOPBXXPZBOGV-AWEZNQCLSA-N 232.323 3.688 30 20 BHED C=CCCCN(Cc1ccccc1C)C1CC1 522778152 CKFBFGBEPGYSRD-UHFFFAOYSA-N 229.367 3.926 30 20 BHED COc1ccc([C@@H](C)CSCCCC#N)cc1 596378568 FOHDGVFNYBFAJS-LBPRGKRZSA-N 249.379 3.836 30 20 BHED COc1ccc(C)cc1CS[C@H](C#N)C1CC1 601077955 DCEQZDUCWJLOKJ-CQSZACIVSA-N 247.363 3.539 30 20 BHED C[C@H](CCC#N)CN(Cc1cccs1)C1CC1 602439489 GXOIFIXUCGDCAS-GFCCVEGCSA-N 248.395 3.652 30 20 BHED CC(C)Oc1ccccc1NC[C@H](C)CCC#N 602486758 IIUSVPWLMHYGQL-CYBMUJFWSA-N 246.354 3.826 30 20 BHED C=CCCCN1C[C@H](c2ccccc2)C[C@H]1C 605150978 OPHSOIDGKKVBOM-GDBMZVCRSA-N 229.367 3.831 30 20 BHED C[C@@H](CC(C)(C)C#N)NC[C@@H](C)c1ccccc1 695779614 QLXZXLFDJZKTJR-KGLIPLIRSA-N 244.382 3.708 30 20 BHED C#CCCOC(=O)C[C@H](C)CCCCCC 727954615 ASOHFBNCLGERSM-CYBMUJFWSA-N 224.344 3.550 30 20 BHED CCON=C(C)c1ccc(SC(F)F)cc1 734978866 WHEZFSKFYHLODK-UHFFFAOYSA-N 245.294 3.762 30 20 BHED Clc1ccc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)cn1 762421159 HDQJWYDGSXRTNL-DCAQKATOSA-N 249.745 3.569 30 20 BHED c1ccc([C@H]2CCC2=NOC2CCCC2)cc1 769799335 UIACPGHEDPRVMU-CQSZACIVSA-N 229.323 3.879 30 20 BHED CC(C)(C#N)CCCOC(=O)C1=CCCCCC1 784800583 JSPVTLVLAHYYNW-UHFFFAOYSA-N 249.354 3.750 30 20 BHED C=CCC1(C(=O)Oc2cccc(C)c2C)CCC1 791762638 CATIVGMGSONONB-UHFFFAOYSA-N 244.334 3.955 30 20 BHED CCCCCCCN1CCCC[C@@H]1c1cc[nH]n1 796196956 XWSQTGULZRIHHK-OAHLLOKOSA-N 249.402 3.907 30 20 BHED C[C@@H](C=NNc1ccc([N+](=O)[O-])cc1)C(C)(C)C 800803940 PPNMXGMWJSAOGM-JTQLQIEISA-N 249.314 3.675 30 20 BHED C/C(C=NOC/C=C\Cl)=C/c1ccccc1 811668032 JXEPYENGWSKTDP-SIFXHBNNSA-N 235.714 3.845 30 20 BHED C[C@@]1(c2ccccc2)CCC(=NOCC2CC2)C1 814244369 PWDBKNZLHHXJRH-MRXNPFEDSA-N 243.350 3.911 30 20 BHED C[C@H](C=NNc1ccc(F)cn1)C1CCCCC1 814843007 WXDFDLYUHZHCDM-LLVKDONJSA-N 249.333 3.835 30 20 BHED C[C@@H]1CC(=NN[C@@H](C)c2ccncc2)C[C@@H](C)C1 819817026 UMNRZYXCOUSREI-AVGNSLFASA-N 245.370 3.544 30 20 BHED CCCON=C(C)[C@@H](C)c1ccccc1 842557011 MXMHQUQGPZYTPB-LLVKDONJSA-N 205.301 3.593 30 20 BHED CC(CCC1CC1)=NNc1ccnc(Cl)c1 853394913 CUWWIDMUWKZSDD-UHFFFAOYSA-N 237.734 3.713 30 20 BHED CCCCCCCC(=O)NCCCC(C)C 914495130 IAUZAFVGQVQNLW-UHFFFAOYSA-N 227.392 3.899 30 20 BHED COc1cc(OC[C@H](C)CC(C)C)ccc1C#N 1166084425 AMWGKDDSAJRLFT-GFCCVEGCSA-N 247.338 3.628 30 20 BHED C[C@@H](Nc1cccc(CC#N)n1)C1CCCCC1 1345641228 KXPHTWBFBRSHQJ-GFCCVEGCSA-N 243.354 3.528 30 20 BHED CC[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)[C@H]1C 1459983277 LDCYVHZZYAKWFK-GZBFAFLISA-N 242.366 3.740 30 20 BHED CC[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 1642372099 SJFNTXFMHPPIAK-TUKIKUTGSA-N 246.329 3.559 30 20 BHED CCC[C@@H](Nc1cc(C)c(C#N)cn1)C(C)(C)C 1651075285 PTBOUYBZTPWJCZ-CYBMUJFWSA-N 245.370 3.888 30 20 BHED CC(C)C[C@@H](C)Oc1ccc(C#N)cc1F 36886811 JUBUVRPYDAKHNI-SNVBAGLBSA-N 221.275 3.511 30 20 BHED C=C(C)CNc1cc(Cl)cc(Cl)c1 41571227 BVYHFEPQCPYSHG-UHFFFAOYSA-N 216.111 3.981 30 20 BHED CCN(C/C=C/Cl)[C@@H](C)c1ccc(C#N)cc1 54340517 RUPVBMXCGHHROJ-KFRNIWOLSA-N 248.757 3.694 30 20 BHED Cc1cc(Oc2cccc(C#N)n2)ccc1Cl 81620878 GTNXBZKPMZOQNS-UHFFFAOYSA-N 244.681 3.707 30 20 BHED CCn1c(-c2ccccc2)nc2cc(C#N)ccc21 86635476 SDWMEHDDSJRARZ-UHFFFAOYSA-N 247.301 3.595 30 20 BHED C#CCCCCN[C@@H](C)C(C)(C)c1ccccc1 90397927 UINSWNIVHKTMFC-HNNXBMFYSA-N 243.394 3.746 30 20 BHED CC(C)(C)CN(CCC#N)C[C@H]1CC=CCC1 93101111 WISHGTVJMGIHQV-AWEZNQCLSA-N 234.387 3.604 30 20 BHED C[C@@H](CC(=O)Nc1ccccc1C#N)C(C)(C)C 108672617 IXRNNDRGEYPMSY-NSHDSACASA-N 244.338 3.569 30 20 BHED C=CCN(C(=O)c1ccc(F)cc1C)C(C)(C)C 127030648 PEVHMAZTASTJEN-UHFFFAOYSA-N 249.329 3.561 30 20 BHED C=CCC(CC=C)C(=O)N(C)c1ccc(C)cc1 129441252 JIFUDLLLNMPEBB-UHFFFAOYSA-N 243.350 3.726 30 20 BHED C=CCCCC[C@@H](C)NC1CCSCC1 132010094 PLNXEWXKWSKPLX-GFCCVEGCSA-N 227.417 3.607 30 20 BHED Cc1cc(C#N)ccc1COc1cccc(F)c1 165539791 CGLDMEOFJGQMIO-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=CCCCC(=O)N1CCC[C@H]1C(C)(C)CC 178806207 IHHODNIOTLXYHC-ZDUSSCGKSA-N 237.387 3.770 30 20 BHED Cc1ccc(/C=C\C(=O)c2ccsc2)cc1 203834865 JMBVUDNWTWYSEF-SREVYHEPSA-N 228.316 3.953 30 20 BHED C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)CCC1 249655039 VEALDILFWGTXID-BFHYXJOUSA-N 249.398 3.674 30 20 BHED Cc1cccc(/C=C\C(=O)c2occc2C)c1 255298295 ZCQCGCCTTKTGIJ-SREVYHEPSA-N 226.275 3.793 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1nccc2ccccc12 290671734 LHCZEYTWZMJHFL-OLZOCXBDSA-N 240.350 3.850 30 20 BHED Cc1ccc(N/C(N)=N/CCCC(C)(C)C)cc1 304747965 GWBDIHBKZNPUGV-UHFFFAOYSA-N 247.386 3.548 30 20 BHED C=CCCNC(C)(C)c1ccc(Cl)cc1 308889530 XACIPOGXVMBNTF-UHFFFAOYSA-N 223.747 3.741 30 20 BHED C=CCCCCN[C@@H](C)c1ccc(F)cc1 309303691 MQHFOJWOKIUDFC-LBPRGKRZSA-N 221.319 3.833 30 20 BHED C=CCCCCN[C@H](C)c1cc(F)cc(F)c1 310308717 SLLCSZVRRPSOBK-LLVKDONJSA-N 239.309 3.972 30 20 BHED C[C@@H](CCc1ccccc1)CNCCCCC#N 344256984 HDCFPRXPRSPIBJ-HNNXBMFYSA-N 244.382 3.539 30 20 BHED C=C1CCN(Cc2cc3cc(F)ccc3o2)CC1 353320947 PDFZYPWFDIDXGI-UHFFFAOYSA-N 245.297 3.724 30 20 BHED C=CCCCCCN[C@H](C)[C@](C)(OC)C1CC1 411970655 NOROUBALWSFURL-HIFRSBDPSA-N 239.403 3.526 30 20 BHED Cc1cc(CN[C@@H]2CCC[C@@H](C)C2)ccc1C#N 443972607 YDMKJQWEALVQIJ-MLGOLLRUSA-N 242.366 3.535 30 20 BHED C=CCC1(C(=O)N2CCC[C@@H](C)C2)CCCCC1 448559743 XNXLZHNZAOFKNM-CQSZACIVSA-N 249.398 3.772 30 20 BHED C=CCCCC[C@@H](C)NCC1(SC)CC1 449291639 NBPDRAGEYXUUPX-GFCCVEGCSA-N 227.417 3.607 30 20 BHED C=CC[C@@H](CC)NC(=O)C1=CCC(C)(C)CC1 456039562 QCKWRWLAKIUCJQ-CYBMUJFWSA-N 235.371 3.594 30 20 BHED C=CCCN(C)CCCc1ccc(Cl)cc1 467284951 AIFMLPPKYXSBFP-UHFFFAOYSA-N 237.774 3.781 30 20 BHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@H]1CC[C@H](C#N)C1 471607774 YBWNRQQJOCSJFR-LYYZXLFJSA-N 248.414 3.729 30 20 BHED C=CCC1(C(=O)NC[C@@H]2CCC[C@H](C)C2)CCC1 479632943 CTOVYOXZFPPCEO-UONOGXRCSA-N 249.398 3.675 30 20 BHED C[C@@H](c1ccc(C#N)cc1)N1CCc2ccccc21 488498694 XDUVPQYEWAYPEH-ZDUSSCGKSA-N 248.329 3.682 30 20 BHED N#CC1(COc2cc(Cl)ccc2Cl)CC1 500758018 ZAVXNNDMYHZIIJ-UHFFFAOYSA-N 242.105 3.676 30 20 BHED CC(C)[C@@H](C)N(Cc1cccc(C#N)c1)C1CC1 505255028 QPLKUVVXOLLXRF-CYBMUJFWSA-N 242.366 3.567 30 20 BHED C=CCCCCCOc1cccc(NC(C)=O)c1 505662836 OWJFQZDRIDMQDB-UHFFFAOYSA-N 247.338 3.770 30 20 BHED C=CCC[C@H](NC[C@H]1C[C@@H]1C)c1ccccc1 576453380 SNALFFWGPDFTIP-IMJJTQAJSA-N 229.367 3.940 30 20 BHED C=C(C)CCNc1ccc(F)cc1OC(F)F 583658980 YKNLMWHIKYSKFW-UHFFFAOYSA-N 245.244 3.805 30 20 BHED C=C(C)CN1CCCC[C@H]1c1ccccc1OC 592332099 RAVZIYDBEYAORU-HNNXBMFYSA-N 245.366 3.798 30 20 BHED C=C1CCN([C@@H]2CCCc3ccccc32)CC1 594733836 MZHOEJMOTVADPC-MRXNPFEDSA-N 227.351 3.716 30 20 BHED C[C@@H](CCC#N)CNC(C)(C)c1ccccc1F 602673835 SPHSYXKPVYQHGV-LBPRGKRZSA-N 248.345 3.590 30 20 BHED C=CCN(C(=O)CC[C@@H](C)CC)C(C)(C)C 622945850 VYPNCYGBKDLJJJ-LBPRGKRZSA-N 225.376 3.626 30 20 BHED C=CCCC(C)(C)NCc1ccc(Cl)o1 657804642 AFNXCWBDWBXABW-UHFFFAOYSA-N 227.735 3.767 30 20 BHED C=C(Cl)COc1cc(F)cc(Cl)c1 705911371 JTIPQUOACXSLLK-UHFFFAOYSA-N 221.058 3.610 30 20 BHED CCCCCCCN(CC(F)F)C1CC1 740877895 PCSAWWDWHOXYJW-UHFFFAOYSA-N 219.319 3.686 30 20 BHED C=C(C)CCOC(=O)[C@@H](C)CC1CCCC1 744303281 UUEVQMDWFBZBNZ-LBPRGKRZSA-N 224.344 3.712 30 20 BHED C=CC[C@@H](N[C@@H](C)c1ccoc1)c1ccncc1 766022871 YEUOIYXUQDMBDW-SWLSCSKDSA-N 242.322 3.643 30 20 BHED CC[C@@H]1CCC[C@@H](C=NO[C@H]2CCCCO2)C1 783861537 FBVJBSPUYPSZSR-MCIONIFRSA-N 239.359 3.732 30 20 BHED C=C[C@](C)(CC)C(=O)Oc1cccc(C)c1C 786610222 OGFLSKDEOJDCCU-OAHLLOKOSA-N 232.323 3.811 30 20 BHED C=C(CNC(=O)/C(C)=C(\C)CC)c1ccccc1 809245154 URBMUTAYCYFPHV-WYMLVPIESA-N 243.350 3.562 30 20 BHED Fc1ccccc1NN=C[C@@H]1CC=CCC1 812459229 TWWXFUSDHHWOSX-LLVKDONJSA-N 218.275 3.580 30 20 BHED Cc1cccc(NN=C2CC[C@@H]2C2CCC2)c1 814687388 GTJYPGBUQGKEFF-CQSZACIVSA-N 228.339 3.973 30 20 BHED C[C@@H](NN=Cc1cccc2cc[nH]c12)C(C)(C)C 814937730 OJWRNRZHQXOBHY-LLVKDONJSA-N 243.354 3.526 30 20 BHED CC(C)c1ccc(NN=C2CCCOCC2)cc1 835018167 HOGMZFRXWOMXJR-UHFFFAOYSA-N 246.354 3.778 30 20 BHED C=C(CC)CNC(=N)Nc1cccc(C(C)C)c1 849038906 XKQLBNZQMGYKDY-UHFFFAOYSA-N 245.370 3.712 30 20 BHED CC(CC(C)(C)C#N)=NNc1c(C)cccc1F 853334913 UVVLGEVEPUNCED-UHFFFAOYSA-N 247.317 3.862 30 20 BHED C#CC1CCC(=NOC2CCCCC2)CC1 853335158 JOJBQRJZROXYIP-UHFFFAOYSA-N 219.328 3.515 30 20 BHED FC(F)(F)[C@@H]1CCC[C@H](C=NOCC2CC2)C1 853348942 NHUMTCPJKDRJBL-WDEREUQCSA-N 249.276 3.768 30 20 BHED Cc1ccc([C@H](C)C=NNC2CCCC2)cc1 863090010 SIITZHRBMRJGOW-CYBMUJFWSA-N 230.355 3.617 30 20 BHED C=CCC1(c2nc(C3CC(=C)C3)no2)CCC1 896876879 CDZVYTQMDKFMMV-UHFFFAOYSA-N 230.311 3.501 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1cccc(C)c1F 935253319 XJTVQIIVOJASSR-NSHDSACASA-N 235.302 3.675 30 20 BHED CCCN(CC1CCCCC1)CC1(CC#N)CC1 1559496407 MSJSWCDVVIARBP-UHFFFAOYSA-N 248.414 3.973 30 20 BHED CC[C@@H]1CCC[C@H](Nc2cc(C)c(C#N)cn2)C1 1639501517 HUTLLBOEDOMMRN-OCCSQVGLSA-N 243.354 3.642 30 20 BHED CCCC(CCC)=NNc1ccc(C(=O)O)cc1 7890633 NXXSAFVKRFGVDH-UHFFFAOYSA-N 248.326 3.753 30 20 BHED CC(C)CC[C@@H](C)Nc1ccc(CC#N)cc1 37071356 LCMXSFXPLAGRPN-CYBMUJFWSA-N 230.355 3.989 30 20 BHED C=C(Cl)CN(C)Cc1ccc(Cl)s1 52892511 WEIJOAQOIXSWJS-UHFFFAOYSA-N 236.167 3.586 30 20 BHED CC(C)(C#N)CCNc1ccc(Cl)cc1F 83638501 CDGUPTFAEXJTSJ-UHFFFAOYSA-N 240.709 3.831 30 20 BHED Cc1ccc(C)c(NCc2cc(C#N)cs2)c1 93685213 IVSGXNCILDYKPJ-UHFFFAOYSA-N 242.347 3.849 30 20 BHED C=CCC(CC=C)C(=O)N(C)[C@@H]1CCCC[C@H]1C 122559817 SAJXKBSBTDDRAN-UKRRQHHQSA-N 249.398 3.792 30 20 BHED CC[C@H](C#N)Sc1ccc(C#N)cc1Cl 127809403 GTMGPLYXIUQARP-SECBINFHSA-N 236.727 3.606 30 20 BHED CC(C)CC[C@H]1CCCCN1CCCC#N 158139895 IGENDQLKIKJYSV-CQSZACIVSA-N 222.376 3.581 30 20 BHED C=CC[C@H](C)N[C@H]1CCc2ccc(C)cc21 161653491 XQCURIFTRWJSBW-WFASDCNBSA-N 215.340 3.537 30 20 BHED C=CCCCC(=O)N[C@@H](C)[C@H](C)c1ccccc1 176411324 XPRWLJDIAYARIU-KBPBESRZSA-N 245.366 3.651 30 20 BHED Cc1ccc(F)cc1N[C@H]1CCC[C@H](C#N)C1 185735504 RUAQAGIEMVYDMZ-AAEUAGOBSA-N 232.302 3.628 30 20 BHED C=CCN(Cc1cccs1)C1CCCC1 193544667 MOPHZEHLNUXXGQ-UHFFFAOYSA-N 221.369 3.679 30 20 BHED C=CCSCCN[C@H]1CCCc2ccccc21 221942292 ZFJWYHBJCBWJSU-HNNXBMFYSA-N 247.407 3.573 30 20 BHED Cc1ccc(C(=O)/C=C\c2c(F)cccc2F)o1 255203369 CONZKXIGLACGID-SREVYHEPSA-N 248.228 3.762 30 20 BHED CN(CC#N)Cc1ccc(C2CCCCC2)cc1 258741830 HVDYDNABUFLDHB-UHFFFAOYSA-N 242.366 3.690 30 20 BHED CC(C)(CNCc1ccc(C#N)s1)C1CCC1 385041463 NZFGDTUJAQEMBI-UHFFFAOYSA-N 248.395 3.536 30 20 BHED C=CCC[C@@H](C)Nc1cccc2cc[nH]c12 390362547 SFTARZHZJAIPQT-LLVKDONJSA-N 214.312 3.935 30 20 BHED C=CCN(CC1CCCCC1)[C@H]1CC[C@H](C#N)C1 411254276 FPUMONACFQRZNY-HOTGVXAUSA-N 246.398 3.747 30 20 BHED C=CCC(C)(C)C(=O)Nc1cccc(C)c1F 429751647 LFIAABWPTCIRGY-UHFFFAOYSA-N 235.302 3.675 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CC=C(C(C)(C)C)CC1 442943446 MFXGAMMADBSUBN-INIZCTEOSA-N 249.398 3.794 30 20 BHED C=C(C)CCc1noc(-c2cc(C)cs2)n1 453189015 XTHGURBOVWFAFY-UHFFFAOYSA-N 234.324 3.615 30 20 BHED C=C(CC)CN[C@H]1CCc2c(F)ccc(F)c21 453341236 COLFYLYTYVMTIO-ZDUSSCGKSA-N 237.293 3.508 30 20 BHED C=C(C)CCN1CCC[C@@H]1c1ccc(OC)cc1 509276608 KXZGCGKJLQBIBG-MRXNPFEDSA-N 245.366 3.798 30 20 BHED CC(C)C[C@H](C)CSc1cc(C#N)ccn1 540812659 BLVMJSYERMSNTD-NSHDSACASA-N 234.368 3.728 30 20 BHED CCCC[C@H](CC)Cn1ccc(C#N)c1 545473445 JTSYJLPDBDKERF-LBPRGKRZSA-N 204.317 3.576 30 20 BHED C=CCC1(C(=O)N(C)[C@H](C)CCCC)CCC1 577343036 UPEVVIOXPCDONZ-CYBMUJFWSA-N 237.387 3.770 30 20 BHED C=CC[C@@H]1CCCN(C(=O)CC2=CCCCC2)C1 617784034 MBUHBIDPLRNVRR-OAHLLOKOSA-N 247.382 3.692 30 20 BHED C=C(C)c1cccc(COCC(F)(F)F)c1 649444381 RGTIDVZVVMQXQM-UHFFFAOYSA-N 230.229 3.799 30 20 BHED C=CC[C@H]1CCCN(c2nccc3occc23)C1 664252908 FNJLUVRLGZETOL-LBPRGKRZSA-N 242.322 3.620 30 20 BHED CCCCC(CC)=NNc1ccc(C(=O)O)cc1 732924140 OLLOFGXRWZRHMU-UHFFFAOYSA-N 248.326 3.753 30 20 BHED C[C@@H]1CCCC1=NNc1cc(F)c(F)cc1F 734302472 FJVGQDVLGBJIKJ-SSDOTTSWSA-N 242.244 3.692 30 20 BHED CC(=NNC1CCCC1)c1cc(C)c(F)c(C)c1 741463410 FXPMDHQIZNSNLM-UHFFFAOYSA-N 248.345 3.699 30 20 BHED CCCCCC[C@H](C)NN=Cc1cccc(O)c1 743450857 RXMLQYSPJYWJAB-ZDUSSCGKSA-N 248.370 3.675 30 20 BHED CCCCCCCCN1CC[C@H](COCC)C1 747966903 MOJSTUDRIKABIC-HNNXBMFYSA-N 241.419 3.705 30 20 BHED C=C(C)CSCc1ccc2c(c1)COC2 778046784 QGNAZMOSDXCVQD-UHFFFAOYSA-N 220.337 3.526 30 20 BHED C#CCCCCCC(=O)Nc1cc(C)cc(F)c1 779939175 UPWKYJBWCOMWEW-UHFFFAOYSA-N 247.313 3.656 30 20 BHED Clc1ccsc1C=NNc1ccccc1 782096641 BBCDVFZVHPGHOG-UHFFFAOYSA-N 236.727 3.848 30 20 BHED CCON=C1CC(c2ccc(Cl)cc2)C1 783822507 UVBZQVVQGTYONH-UHFFFAOYSA-N 223.703 3.610 30 20 BHED C[C@H](NN=C1CCCCCC1)C(C)(C)C 793117175 WVXDWHYKPBFTMP-NSHDSACASA-N 210.365 3.721 30 20 BHED C[C@H]1CC[C@@H](C=NNc2cccc(Cl)n2)C1 793164024 PWDYJNSHXRTOBQ-VHSXEESVSA-N 237.734 3.569 30 20 BHED CC[C@@H](C)CON=C1CCC[C@H]1CCF 793164766 YIKNEBNRCSICMC-MNOVXSKESA-N 215.312 3.565 30 20 BHED CSCCON=C1CC[C@H]2CCCC[C@@H]2C1 794577231 PPVLHZCXTPNXSB-VXGBXAGGSA-N 241.400 3.712 30 20 BHED CC1(C)CCC(C=NNc2cccc(F)n2)CC1 795007957 AHZQKUWFWNMYKA-UHFFFAOYSA-N 249.333 3.835 30 20 BHED CC[C@@H]1CC[C@@H](C)CC1=NO[C@@H]1CCCCO1 797402054 UNQXPLDYKFIHSY-YRGRVCCFSA-N 239.359 3.732 30 20 BHED C=CCC(F)(F)C(=O)N(CCCC)[C@H](C)CC 815532404 JAAWMGODASZXLB-LLVKDONJSA-N 247.329 3.625 30 20 BHED C=C[C@H](CC)CC(=O)Nc1ccsc1C 828148298 OHFZMSFMZMLXBI-SNVBAGLBSA-N 223.341 3.597 30 20 BHED C=C(C)CON=C(C)[C@H](C)c1ccccc1 844619329 XODIJBAFPLPCFL-LBPRGKRZSA-N 217.312 3.759 30 20 BHED C=C[C@H](C)ON=C(C)[C@H](C)c1ccc(OC)cc1 844622107 URXYXKITNDIIAO-RYUDHWBXSA-N 247.338 3.766 30 20 BHED CCCCCCCNCc1cccc2cn[nH]c12 1254166081 QDUZAFUWAXSLSG-UHFFFAOYSA-N 245.370 3.623 30 20 BHED CC(=NOC(C)(C)C)c1cccc(F)c1F 1319953491 BHNHKQGCCPBKHO-UHFFFAOYSA-N 227.254 3.504 30 20 BHED C=C(C)C(C)(C)C(=O)N1CC[C@H]2CCCC[C@@H]2C1 1348958531 URJBADLBWWQZJB-ZIAGYGMSSA-N 249.398 3.627 30 20 BHED CC(C)c1ccc(Nc2ccc(C#N)cn2)cc1 14205430 QZHDRCYJBIIJGT-UHFFFAOYSA-N 237.306 3.820 30 20 BHED Cc1ccc(/C(O)=N/c2sccc2C#N)s1 14626640 BWOCSYPWQMTGMR-UHFFFAOYSA-N 248.332 3.626 30 20 BHED N#Cc1ccc(NC(C2CC2)C2CC2)cc1Cl 37466885 GOBKOEHAOMRAQQ-UHFFFAOYSA-N 246.741 3.812 30 20 BHED C=CCCN[C@@H](C)c1ccc(Cl)s1 70591913 GFTOFEHCCZXTHR-QMMMGPOBSA-N 215.749 3.628 30 20 BHED Cc1c(CSC(C)C)cccc1N[C@H](C)C#N 80475862 DJINRVPTXNKMRM-LLVKDONJSA-N 248.395 3.961 30 20 BHED Cc1nsc(Nc2cccc(Cl)c2)c1C#N 86254484 FGYFDWCDFDTEFG-UHFFFAOYSA-N 249.726 3.720 30 20 BHED C=C(CN[C@@H]1CCC[C@H](C)C1)c1ccccc1 97602924 WYGHWYUGNWQXEI-XJKSGUPXSA-N 229.367 3.868 30 20 BHED C=CCSCc1csc(-c2ccoc2)n1 114756752 QWOKMHLAJZSICX-UHFFFAOYSA-N 237.349 3.822 30 20 BHED C=C(Cl)CN[C@@H]1C[C@@H](C)c2c(C)cccc21 129795470 BPVKNDANAQIBRB-ZWNOBZJWSA-N 235.758 3.885 30 20 BHED C#CCCCCN[C@@H](C)c1cccc(Cl)c1 130725124 ZGYGHXQVXZOGNW-LBPRGKRZSA-N 235.758 3.794 30 20 BHED N#Cc1ccc(N2CCC3(CCC3)C2)cc1Cl 131407204 OXKPYCDCTKPMGF-UHFFFAOYSA-N 246.741 3.592 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)c1ccccc1 131471458 IMCFPGMYVYZUJI-KGLIPLIRSA-N 245.366 3.651 30 20 BHED CCCCCCCCNC(=N)Nc1ccccc1 161041010 PVGSSVQTGIZQQP-UHFFFAOYSA-N 247.386 3.983 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc(N(C)CC)cc1 180953571 NREDNYFDFXSSPI-UONOGXRCSA-N 246.398 3.758 30 20 BHED Cc1ccc(Nc2nc(Cl)c(C#N)s2)cc1 309475297 UXWKZVYYJGIMHD-UHFFFAOYSA-N 249.726 3.720 30 20 BHED C[C@@H]1CC[C@@H](Sc2ccccc2C#N)C1 338553920 QPMOZWDZTAFLDO-ZYHUDNBSSA-N 217.337 3.839 30 20 BHED CC/C=C/CCN(CCC#N)CCC(C)C 342183202 FCDCNPXPABKHFN-AATRIKPKSA-N 222.376 3.604 30 20 BHED CC#CCNc1ccccc1-c1csc(C)n1 359619765 OQKOFQBBJMBJQY-UHFFFAOYSA-N 242.347 3.554 30 20 BHED C=CCCCN[C@H](C)c1csc(C)c1 381749691 NGYLEOJJUPACMU-LLVKDONJSA-N 209.358 3.673 30 20 BHED C=CCCCCNC(=O)c1ccc(C(C)C)cc1 471668398 QLJKEIYCXCEMOO-UHFFFAOYSA-N 245.366 3.896 30 20 BHED C=C(CC)CS[C@H](CC)C(=O)OC(C)(C)C 479543273 LSKISPFLNPVYKS-LLVKDONJSA-N 244.400 3.806 30 20 BHED C=CCCCC(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 479647171 DCMCOLLGFKYIFZ-ZIAGYGMSSA-N 237.387 3.674 30 20 BHED C=C(C)CCc1noc(C2=CCCCC2)n1 514757603 XTPWTMOXKVJUPY-UHFFFAOYSA-N 218.300 3.536 30 20 BHED CCC(CC)(CC)CN(C[C@@H](C)C#N)C1CC1 542020245 VSTYONKNWHDKPP-ZDUSSCGKSA-N 236.403 3.827 30 20 BHED C=CCC1(C(=O)NCC2(C)CCCCC2)CCC1 571035339 IIIDCUVHCNUTJH-UHFFFAOYSA-N 249.398 3.819 30 20 BHED CCN(Cc1cccc2ccccc12)[C@@H](C)C#N 595815698 QTTOYWWDVLZXIQ-ZDUSSCGKSA-N 238.334 3.574 30 20 BHED C=CCSCc1cccnc1C(F)(F)F 600622186 RUXXVTVKIREIEZ-UHFFFAOYSA-N 233.258 3.520 30 20 BHED C=CCC(C)(C)c1noc(CCCC2CC2)n1 645627568 PWWCZPPBQUXZBP-UHFFFAOYSA-N 234.343 3.656 30 20 BHED C=CCC1(N[C@H]2C=CCCC2)CCCC1 661847970 GYMZNAUFMWHEEY-ZDUSSCGKSA-N 205.345 3.574 30 20 BHED C=CCCN(C)C(=O)CCCC[C@H](C)CC 682426967 ATDIQJDEVJFABR-CYBMUJFWSA-N 225.376 3.627 30 20 BHED C[C@H]1CCCC1=NN[C@@H](C)c1ccccc1 729142426 SLBMVBIIZJVNKW-RYUDHWBXSA-N 216.328 3.513 30 20 BHED CCCCCC[C@@H](C)NN=C(C)c1ccco1 743450320 IGZLDRRGBOQMGW-GFCCVEGCSA-N 236.359 3.952 30 20 BHED CCC/C(C)=C/C(=O)Nc1cc(C#N)ccc1C 746377255 VWERGVOILKYGIO-DHZHZOJOSA-N 242.322 3.552 30 20 BHED CC(=NNc1cc(C)cc(C)c1)[C@@]1(C)CCCO1 782167407 STUYFIORLIZSBA-OAHLLOKOSA-N 246.354 3.660 30 20 BHED C=CCCC(CC)=NNc1cccc(Cl)n1 793160679 CLYBWFXCTPLBLR-UHFFFAOYSA-N 237.734 3.879 30 20 BHED C=CCCCCC[C@H](C)N[C@@H]1CCO[C@H](C)C1 793545657 JSFCIDKHPSDEQA-RRFJBIMHSA-N 239.403 3.669 30 20 BHED C/C(C=NOCC1CC1)=C/c1ccccc1 814243271 OAFPXJAWWICTAK-ZDDADBLPSA-N 215.296 3.502 30 20 BHED C[C@@H](NN=C1CCC[C@H]1C(C)(C)C#N)C(C)(C)C 814937447 GNVAPUQONOBQJC-VXGBXAGGSA-N 249.402 3.716 30 20 BHED C#CCCCCCc1nc(C(C)(C)CC=C)no1 815704650 MFFKQMHZZAPDQK-UHFFFAOYSA-N 246.354 3.659 30 20 BHED CC(CC(C)(C)C)=NNc1ccccc1 834914711 SDQXVNXAIAWFTR-UHFFFAOYSA-N 204.317 3.911 30 20 BHED N#Cc1cccc(NN=C2CCCC23CCC3)c1 834936653 BNRJXVDIFNFNRO-UHFFFAOYSA-N 239.322 3.680 30 20 BHED CC(Cc1coc2ccccc12)=NOCC1CC1 834982492 ZOKBTFQFHLAJFN-UHFFFAOYSA-N 243.306 3.778 30 20 BHED C=CCCC(C)(C)NC(=O)/C(C)=C/c1ccco1 856374854 IWFBYFQUKQDFHL-VAWYXSNFSA-N 247.338 3.544 30 20 BHED Cc1ccc([C@H](C)C=NOC/C=C/Cl)cc1 863112060 IYRFQJVJHUCIMB-VCDMBIDNSA-N 237.730 3.853 30 20 BHED CCc1ccc([C@@H](CC)NCC2(C#N)CC2)cc1 903102086 RVQREFYOXMOZAD-OAHLLOKOSA-N 242.366 3.593 30 20 BHED CCCCCCCCOC(=O)c1cccc(C)n1 918493642 ATFIGWJWNITGGP-UHFFFAOYSA-N 249.354 3.907 30 20 BHED C=C(Cl)CN1CCCCC[C@H]1C(C)C 1168580172 MKYTZKLRJKEFRJ-LBPRGKRZSA-N 215.768 3.640 30 20 BHED C[C@@H](CCC#N)CN1CCCC2(CCCCC2)C1 1461989055 OQPKLIGMXBUMNG-HNNXBMFYSA-N 248.414 3.973 30 20 BHED Cc1ccc(C)c(Sc2ncccc2C#N)c1 15164466 SWPNUEZUJZUZPO-UHFFFAOYSA-N 240.331 3.721 30 20 BHED C[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2)C1 19950817 XHDKRSLPQADPDQ-BXUZGUMPSA-N 214.312 3.549 30 20 BHED CC(C)CCC[C@H](C)Nc1ccc(C#N)cn1 42591396 WSGZFCXWELXYMU-LBPRGKRZSA-N 231.343 3.580 30 20 BHED N#Cc1cccc(-c2csc(C3CC3)n2)c1 62938283 RTCRZRLJWSGEPY-UHFFFAOYSA-N 226.304 3.559 30 20 BHED CCCC[C@@H](CC)NCc1cccc(C#N)c1 69376916 AFRPBEMHDAOZEX-OAHLLOKOSA-N 230.355 3.617 30 20 BHED N#Cc1cc(F)ccc1CSc1ccccc1 77564789 HGDAAEMXTDYXPR-UHFFFAOYSA-N 243.306 3.990 30 20 BHED CC(C)(C#N)CCSCC1CCCC1 83640638 HQOVMTNQLZKTPO-UHFFFAOYSA-N 211.374 3.850 30 20 BHED CC[C@@H](C)Sc1cccc(F)c1C#N 88362495 PACFLGGJNPUZAW-MRVPVSSYSA-N 209.289 3.588 30 20 BHED CC[C@H]1CC[C@H](C)N1CCCC(C)(C)C#N 124568788 COONTTXEVSRKBM-STQMWFEESA-N 222.376 3.579 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cccc(C)c1C 129650767 YLLOTHOQSZIXPK-JSGCOSHPSA-N 217.356 3.919 30 20 BHED C=C(Cl)CNC1CCC(C(C)C)CC1 131666828 TWDYWYFFIFAVDT-UHFFFAOYSA-N 215.768 3.543 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)c1ccc(C)cc1C 188402945 OTKQPVYANSTCQK-MRXNPFEDSA-N 245.366 3.869 30 20 BHED CC(C)c1ccc(CS[C@@H](C)C#N)cc1 195204264 RBBTWEGJZRZXOU-NSHDSACASA-N 219.353 3.955 30 20 BHED O=C(/C=C\c1cc2ccccc2o1)c1cccnc1 255523264 RIQRSXHXRBNZQM-FPLPWBNLSA-N 249.269 3.724 30 20 BHED C[C@H](CCC#N)N[C@@H]1CCC[C@H]1c1ccccc1 298539377 MXSJPRNACBBWRZ-VNQPRFMTSA-N 242.366 3.605 30 20 BHED C=CCCCCCCNCc1ccccc1O 310182495 XOEQZIDIOQCXHK-UHFFFAOYSA-N 233.355 3.618 30 20 BHED C=CCC[C@H](C)NCCC(C)(C)C1CC1 328471145 ZUKWNIHRXUACOY-LBPRGKRZSA-N 209.377 3.757 30 20 BHED C/C=C/CSCc1cccc(C#N)c1F 340891628 HFMUOSAGYNACLG-NSCUHMNNSA-N 221.300 3.507 30 20 BHED C=CCC1(C(=O)N(C)[C@@H]2CCC(C)(C)C2)CCC1 362185808 AIOGRUYKYONYCQ-CYBMUJFWSA-N 249.398 3.770 30 20 BHED C=CCCCN[C@@H](C)c1ccc(F)cc1C 378849438 CWCIKIOZNPYKEG-LBPRGKRZSA-N 221.319 3.751 30 20 BHED C=CCC[C@H](CCC)NC1(C(C)C)CC1 393907940 PJLUIZFZZLKYSK-ZDUSSCGKSA-N 209.377 3.900 30 20 BHED CCCCCCCN[C@H](C)[C@H]1C[C@H]2CC[C@H]1O2 395371960 PFNXSLYAFJKHHB-KBUPBQIOSA-N 239.403 3.502 30 20 BHED C=CCCC[C@H](C)N[C@H](C)Cc1ccc(O)cc1 398132408 WHJCUAOGGQQCDN-UONOGXRCSA-N 247.382 3.658 30 20 BHED C=CCOc1cccc(CN[C@H]2CC[C@@H](C)C2)c1 436415225 WSAFPGFKCUYCON-HIFRSBDPSA-N 245.366 3.530 30 20 BHED N#Cc1ccc(F)cc1CSCCC1CC1 437914337 INGGRJDAZCFSBA-UHFFFAOYSA-N 235.327 3.731 30 20 BHED C[C@@H](c1cccc(C#N)c1)N1CCC(C)(C)CC1 442670140 IUZHTSZYZHHXPA-ZDUSSCGKSA-N 242.366 3.741 30 20 BHED C[C@@H](C1CC1)N(CCCCC(C)(C)C#N)C1CC1 444585530 ZSLYUMZTCNTEOU-ZDUSSCGKSA-N 248.414 3.969 30 20 BHED C=CCC1(C(=O)NCCC=C(C)C)CCCC1 451140280 TXVASQHYTWDKSI-UHFFFAOYSA-N 235.371 3.595 30 20 BHED C=CC(C)(C)CNC(=O)C(C)(C)C1CCCC1 452772613 GKEZCTAZEIZXMX-UHFFFAOYSA-N 237.387 3.531 30 20 BHED C=CCCN(C)Cc1cc2c(C)cc(C)cc2[nH]1 467369947 NGQLIPKPEKOQKZ-UHFFFAOYSA-N 242.366 3.793 30 20 BHED C=CCC(C)(C)CNC(=O)[C@H](CCC)C(C)C 490087386 IEFUCSNLFNCDSF-CYBMUJFWSA-N 239.403 3.777 30 20 BHED C=C(CC)CN(C)[C@H]1CCc2ccccc21 537992848 DZOLNEWYLUMXGR-HNNXBMFYSA-N 215.340 3.572 30 20 BHED C=CCCN1CCC[C@@H]1/C=C\c1ccccc1 541872772 IHFFODGUDLSPOI-YUQCYMQKSA-N 227.351 3.740 30 20 BHED C=CCC[C@@H](NCCC(F)(F)F)c1ccco1 552243748 ITJWVSNVRWHMFY-SNVBAGLBSA-N 247.260 3.829 30 20 BHED C=C(C)CN(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 671790757 BIBOUALRZVLCCV-RBSFLKMASA-N 249.398 3.627 30 20 BHED C=CCCCCCN(C)Cc1ccc(CC)nc1 685418653 XMADPEKJHNYYDD-UHFFFAOYSA-N 246.398 3.822 30 20 BHED CCC(C[C@@H](C)CC)=NO[C@H]1CCCCO1 755816294 DQKIZIPDCUXOCB-AAEUAGOBSA-N 227.348 3.732 30 20 BHED CCON=Cc1ccc(F)c(Cl)c1Cl 761780786 FCQSJSRJLWBYFD-UHFFFAOYSA-N 236.073 3.503 30 20 BHED COc1cc(F)cc(NN=C2CC3(CCC3)C2)c1 772845683 XKYOWYRJKNGMOP-UHFFFAOYSA-N 248.301 3.566 30 20 BHED Cc1cccnc1NN=C1CCC[C@@H](C)[C@H]1C 790192885 JAFIORPXRGGYHS-ZYHUDNBSSA-N 231.343 3.614 30 20 BHED CC(C)[C@@H]1CCCC1=NN[C@H](C)C(C)(C)C 793112547 UKJVGKWFCLCZFT-NEPJUHHUSA-N 224.392 3.823 30 20 BHED CC(CCCC(F)(F)F)=NOC/C=C/Cl 811670778 CONDBURKHNJLLJ-LKDBHZJCSA-N 243.656 3.864 30 20 BHED CCCCCCCCSCc1nnc(C)o1 842193957 LBXQBFNDEIUCHF-UHFFFAOYSA-N 242.388 3.972 30 20 BHED C=C(Cl)COc1ccc(/C=C/C)cc1OC 916610147 YTYRPNUEISTFKZ-SNAWJCMRSA-N 238.714 3.860 30 20 BHED CCCCCCCCCN(C)C(=O)NC(C)C 918318509 LBRUKDKTGAOBOZ-UHFFFAOYSA-N 242.407 3.787 30 20 BHED C[C@H]1C[C@@H](C)CN1CCCCC1(C#N)CCC1 929698175 ZOLHIKHVKQKGJP-KGLIPLIRSA-N 234.387 3.581 30 20 BHED C[C@H]1CN(c2cccc(F)c2C#N)CC(C)(C)C1 1472741713 PEPYNCVUGWODHZ-LLVKDONJSA-N 246.329 3.570 30 20 BHED N#Cc1ccc(NCc2cc3ccccc3o2)cc1 20091249 LTXJJRDQCWIRLH-UHFFFAOYSA-N 248.285 3.917 30 20 BHED CC[C@@H]1CCCN(Cc2ccccc2C#N)CC1 79054280 ZIYUDJXIQFLSBR-CQSZACIVSA-N 242.366 3.570 30 20 BHED C=C[C@@H](C)NCc1ccc(Cl)c(Cl)c1 130457446 WYSKDJXAXVCELF-MRVPVSSYSA-N 230.138 3.658 30 20 BHED C=CCC[C@H](C)NCc1ccccc1COCC 130537275 YHOBNRWLMNLITK-AWEZNQCLSA-N 247.382 3.667 30 20 BHED C=CCC[C@@H](C)N[C@H](C)c1ccc(F)cc1F 135708844 WCVKZTCJOCLLJZ-GHMZBOCLSA-N 239.309 3.970 30 20 BHED C=C(C)CNC(=O)Nc1c(CC)cccc1CC 156143440 FBHCSBXEFJGWSI-UHFFFAOYSA-N 246.354 3.509 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(CC)cc1 168051888 UENGGUHRZCHCJL-ZDUSSCGKSA-N 217.356 3.866 30 20 BHED Cc1ncccc1/C=C1\CCCC(C)(C)C1=O 177022011 RDJCZZVJXQIKEZ-JLHYYAGUSA-N 229.323 3.553 30 20 BHED CCSc1ccc([C@@H](C)NCCCC#N)cc1 182135967 HLXSBOPWKADXMQ-GFCCVEGCSA-N 248.395 3.753 30 20 BHED N#C[C@@H]1CCC[C@H](NCCC2=CCCCCC2)C1 193294429 CGZUVGXIPGLRIB-CVEARBPZSA-N 246.398 3.939 30 20 BHED O=C(/C=C\c1ccccc1)c1ccc(F)c(F)c1 209057639 SPRJNZICBSNGAX-TWGQIWQCSA-N 244.240 3.861 30 20 BHED CC(C)(C#N)CCCNC1(c2ccccc2)CC1 266882178 AVSNENBCKSYQHL-UHFFFAOYSA-N 242.366 3.595 30 20 BHED C=C1CCN([C@H](C)c2ncc(C(C)(C)C)o2)CC1 267009377 GZOSSYGDKOYAKL-GFCCVEGCSA-N 248.370 3.685 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1cccnc1Cl 281585612 LINNLNWMGTVITB-QWRGUYRKSA-N 238.762 3.740 30 20 BHED CC(C)CNc1cc(C#N)ccc1C(F)(F)F 301743268 ZDQVNUKHNBIQMJ-UHFFFAOYSA-N 242.244 3.645 30 20 BHED CCc1cccc(Oc2ccc(C#N)c(C)n2)c1 311227271 XXTFOWGOEDWCMQ-UHFFFAOYSA-N 238.290 3.616 30 20 BHED C=CCCN(C)[C@@H](C)c1ccc(F)cc1F 338545874 CQIZHMOWRRVZGL-JTQLQIEISA-N 225.282 3.534 30 20 BHED C=CC[C@H]1N(C(=O)CC2CCC2)CCCC1(C)C 347430646 ARNBGFFSJHQJMX-CQSZACIVSA-N 249.398 3.770 30 20 BHED C=CCCCCN[C@H](CCC)c1cccnc1 349354192 KVHWYIKFBNYOPJ-OAHLLOKOSA-N 232.371 3.869 30 20 BHED CCC(CC)Nc1ncc(Cl)c(C)c1C#N 390552859 PJSOUEBPEJZTON-UHFFFAOYSA-N 237.734 3.516 30 20 BHED CC(C)C[C@@H](C)CN1CCC(CCC#N)CC1 399746536 MWZDTTARSKLWJW-CQSZACIVSA-N 236.403 3.684 30 20 BHED C=CCC[C@H](CCC)NC[C@H]1CC12CC2 417337216 LBCLEOOCPUQOOL-OLZOCXBDSA-N 207.361 3.511 30 20 BHED CC(C)C[C@@H](C)C[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 424337551 ZLTCFIBDJRPNHM-APIJFGDWSA-N 236.403 3.729 30 20 BHED C=C(C)C(C)(C)C(=O)N1CCC(CC)(CC)C1 424718592 RDGVOJHGGNWLFH-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C[C@@H]1CCCCN(CCCCC(C)(C)C#N)C1 444681894 XOCVDMWCVPVIFR-CQSZACIVSA-N 236.403 3.828 30 20 BHED C=CC[C@H](C)[C@@H](C)NCCC1CC(F)(F)C1 453416062 JTKPUDRAPAVAMH-WDEREUQCSA-N 231.330 3.612 30 20 BHED CC(C)(CC#N)CNCc1ccc(C2CC2)cc1 459732816 PLVHLKHBVNWYPU-UHFFFAOYSA-N 242.366 3.593 30 20 BHED CC#CCCSC[C@H]1CCCCC1(F)F 596396140 REDKQKFQSBEYKT-LLVKDONJSA-N 232.339 3.959 30 20 BHED C=CC[C@@H](C)NC(=S)Nc1c(C)cccc1C 734988365 XLMNGZLJYKVZPX-GFCCVEGCSA-N 248.395 3.554 30 20 BHED CC(=NOCC(C)C)c1ccc(Cl)s1 749636504 NGPCGYWGBDFVSX-UHFFFAOYSA-N 231.748 3.798 30 20 BHED C=CCCC(C)=NNCCCc1ccccc1 758109968 HAPGQOUQQLKMMR-UHFFFAOYSA-N 230.355 3.551 30 20 BHED CC(C)=CCC/C(C)=C/C=NNCC(F)(F)F 769825982 ZMRYVXSQJOBVEH-HNMISGIWSA-N 248.292 3.817 30 20 BHED C=C(CC)CSCc1nnc(C(C)(C)C)o1 773289446 CUMDJVIFBCCCAL-UHFFFAOYSA-N 240.372 3.567 30 20 BHED CC(C)[C@@H](C=NOC1CCC1)c1ccccc1 812236374 LDZHQOIUFAOKLW-OAHLLOKOSA-N 231.339 3.981 30 20 BHED C=CCC[C@H](C)NC[C@]1(C)CC1(Cl)Cl 824773737 NIIIDYAJTXIDSE-UWVGGRQHSA-N 236.186 3.515 30 20 BHED Fc1ccc(NN=C2CCC[C@@H]3C[C@H]23)c(F)c1 841603521 JLPNEWTXJMIMNR-SCZZXKLOSA-N 236.265 3.553 30 20 BHED C=C[C@H](C)ON=C1CC[C@@H](c2ccccc2)C1 844621095 UKBPVXVOGMTFII-GXTWGEPZSA-N 229.323 3.901 30 20 BHED Cc1cc(C#N)ccc1NCC(C)(C)CCC#N 846749649 NJUJACNYTGEZHE-UHFFFAOYSA-N 241.338 3.609 30 20 BHED CCCCCC[C@@H](C)NC[C@H](C)CCC#N 876905679 WNAAADVJAGCWRW-ZIAGYGMSSA-N 224.392 3.875 30 20 BHED C/C=C\C(=O)NC[C@@H](C)CCCCCCC 917872332 IDWMGRUYFSTERB-PRFOUVDFSA-N 225.376 3.675 30 20 BHED CC(CCc1ccc(O)cc1)=NOC(C)(C)C 1320325119 HZMTWXYSQBKCFP-UHFFFAOYSA-N 235.327 3.516 30 20 BHED C=C(C)CCC(=O)Oc1ccccc1SC 1339059036 GYKFCGUNYOKRFT-UHFFFAOYSA-N 236.336 3.670 30 20 BHED C[C@H](CN(C)[C@H](C)CCC#N)C1CCCCC1 1654474737 KIJIFJDOCLHNLC-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED CC[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1 37031642 HMFWXAMLLPABIU-JKSUJKDBSA-N 242.366 3.617 30 20 BHED C=CCCCN[C@@H](C)c1ccc(C)s1 70591942 HJLJVVRCWSERSM-NSHDSACASA-N 209.358 3.673 30 20 BHED N#Cc1cccc(Oc2ccc(F)cc2Cl)n1 81621457 ZZZUKZJPVRMAMF-UHFFFAOYSA-N 248.644 3.538 30 20 BHED C=CCCOCCN[C@H](CC)c1ccc(C)cc1 90883857 UHKHTZAGJKAMRP-MRXNPFEDSA-N 247.382 3.628 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc(OCCC)cc1 132689758 XVEASNILKYORTJ-QWHCGFSZSA-N 233.355 3.701 30 20 BHED CC(C)c1ccc(N(C)CCCCC#N)cc1 158201656 PIQMGBLGZFAHFT-UHFFFAOYSA-N 230.355 3.940 30 20 BHED C#CCCCNc1cccc(C(F)(F)F)c1 161047685 NJSLMZWTCMZGQJ-UHFFFAOYSA-N 227.229 3.531 30 20 BHED C=C(CC)Cn1cnc2cc(C)c(C)cc21 163647361 YYOYEGDVRVEDOU-UHFFFAOYSA-N 214.312 3.619 30 20 BHED C=C(C)CN[C@H](C)c1cccc(C)c1C 183738809 MTTAWLDTPLDJNV-CYBMUJFWSA-N 203.329 3.530 30 20 BHED C#CCC(C)(C)C(=O)NCCCCC1CCCC1 185715934 FIXKICUJHPMCHN-UHFFFAOYSA-N 249.398 3.513 30 20 BHED C=CCC1(C(=O)Nc2cc(C)ccc2F)CCC1 191378635 YBFZDQRKPLEFGR-UHFFFAOYSA-N 247.313 3.819 30 20 BHED C#CCC(C)(C)C(=O)N[C@H](C)CC1CCCCC1 193465969 BKTNZHCFRZJANB-CYBMUJFWSA-N 249.398 3.511 30 20 BHED C[C@H](NC[C@@H]1CCC[C@H]1C)c1cccc(C#N)c1 300310652 UMTGHVSSSJEXKI-WWGRRREGSA-N 242.366 3.645 30 20 BHED C=C(C)CN(C)c1nc2ccccc2cc1C 302015019 BVMACRDZSWPDBP-UHFFFAOYSA-N 226.323 3.556 30 20 BHED C=C[C@H](C)N[C@@H](CCC)c1ccsc1 308499069 FOJYLTBFOMHXHL-JQWIXIFHSA-N 209.358 3.753 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1ccsc1 308897278 ZXXODTUWUWYWKJ-QJPTWQEYSA-N 223.385 3.999 30 20 BHED C#CCCCCN[C@H](C)CCC=C(C)C 308928136 DOUPVBXIICWTGR-CQSZACIVSA-N 207.361 3.514 30 20 BHED C=CCNc1nc(C2CCCCC2)cs1 309033803 DNKCIXAMZDUTNU-UHFFFAOYSA-N 222.357 3.789 30 20 BHED C#CCCCCNCC1CCC(C)(C)CC1 309201643 AGVHRLYRNXXDKT-UHFFFAOYSA-N 221.388 3.596 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccsc1Cl 335102112 DFDXYNDDEPXALF-UHFFFAOYSA-N 243.759 3.942 30 20 BHED C[C@@H](C#N)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 361833626 IKVRUKDRIXTUEC-FZMZJTMJSA-N 248.345 3.805 30 20 BHED C=CCCCNC(C)(C)c1ccccc1C 382341691 CHIRNSMKVSIDRD-UHFFFAOYSA-N 217.356 3.786 30 20 BHED CCCCCCC[C@H](C)NC[C@]1(C)CCOC1 397348531 GBTSWHHNKBHYHN-GJZGRUSLSA-N 241.419 3.752 30 20 BHED C=C(C)C(C)(C)c1nc(C(CC)CC)no1 424344165 BMFULXJKAHPZKB-UHFFFAOYSA-N 222.332 3.827 30 20 BHED C=CCC(C)(C)C(=O)Nc1cc(C)cc(F)c1 482900194 PQMLFZQOTVTNGW-UHFFFAOYSA-N 235.302 3.675 30 20 BHED C=CC1CCN(Cc2ccsc2Cl)CC1 483259080 LSAVNIUMQQYDKS-UHFFFAOYSA-N 241.787 3.800 30 20 BHED C=CCCc1csc(-c2ccccc2)n1 534144638 RYQLGYBFRUXMFW-UHFFFAOYSA-N 215.321 3.929 30 20 BHED C=CCSCCNC/C(C)=C/c1ccccc1 540977064 LBFDTKKIECZUHB-WYMLVPIESA-N 247.407 3.599 30 20 BHED C=CCOc1ccc(OC2CCCC2)cc1 546044522 GSKGXKUYQLZCPE-UHFFFAOYSA-N 218.296 3.573 30 20 BHED C=CCCCCCSc1cccc(C(N)=O)c1 554945197 TYNMGPGCKHBOSK-UHFFFAOYSA-N 249.379 3.624 30 20 BHED CC1(C)CCN([C@H]2CC[C@@H](C#N)C2)CC(C)(C)C1 595748360 FXUZQZBBLZXHSG-KGLIPLIRSA-N 248.414 3.827 30 20 BHED COC1CC(S[C@@H](C)c2cccc(C#N)c2)C1 600627089 MOVLUXHXYHSWSF-FNBIGBAISA-N 247.363 3.530 30 20 BHED CC(C)CN(CC(C)C)C[C@@H](C)CCC#N 602427972 MGRMMQXJYXYECX-AWEZNQCLSA-N 224.392 3.540 30 20 BHED CCC[C@@H](Cc1ccccc1)N(CC#N)CCC 608977603 SMLSJIFCGLLPEO-INIZCTEOSA-N 244.382 3.633 30 20 BHED C=CCSc1nccn1-c1cc(C)cc(C)c1 685124455 XMQFQFZBXBNXRP-UHFFFAOYSA-N 244.363 3.767 30 20 BHED CCCCCCCN[C@H](C)Cc1ccc(O)cc1 703759605 ILKRYJXERZZQHZ-CQSZACIVSA-N 249.398 3.883 30 20 BHED C(=NNc1ccccc1)c1ccc2ccccc2n1 741451336 NLHAETXWXXVHOV-UHFFFAOYSA-N 247.301 3.681 30 20 BHED CCCCC(CC)=NNc1cc(C)ccn1 755906870 SGUGXNHQLOYNIR-UHFFFAOYSA-N 219.332 3.758 30 20 BHED C=CCCCNc1ccc(OC(C)C)c(C#N)c1 771885957 QXCJVEDXCATSPC-UHFFFAOYSA-N 244.338 3.724 30 20 BHED O=C1/C(=C\c2ccsc2)Oc2cc(F)ccc21 773172291 MFRFNZIOUYAJTN-LFYBBSHMSA-N 246.262 3.503 30 20 BHED Cc1ccc2c(C=NOC3CCCC3)c[nH]c2c1 774597748 YALYRJSEXVHGIU-UHFFFAOYSA-N 242.322 3.769 30 20 BHED CCCCC(CC)=NNc1ncccc1C 790186725 QJUJVZMEPYOCEG-UHFFFAOYSA-N 219.332 3.758 30 20 BHED CC[C@H](C)NN=C1CCC[C@@H]1CCC(C)C 790186858 CEVOQBZARNMAMQ-QWHCGFSZSA-N 224.392 3.967 30 20 BHED C=CCCN(C)C(=O)c1ccccc1CC(C)C 790952421 BXVFHRGLLUYZIV-UHFFFAOYSA-N 245.366 3.533 30 20 BHED C[C@@H](NN=Cc1cc2ccccc2o1)C(C)(C)C 793114649 IGEMQWCDURWXDD-LLVKDONJSA-N 244.338 3.791 30 20 BHED CSCCON=Cc1ccc2ccccc2c1 794574864 UHEXPTWDDYPOBY-UHFFFAOYSA-N 245.347 3.553 30 20 BHED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1ccc(C)cc1 797160406 KJVORKNMIAAUKK-WFASDCNBSA-N 245.322 3.539 30 20 BHED C=CCCCCCCCCN[C@@H]1CCO[C@H]1C 806175484 BBCYKLYHDAGFMS-LSDHHAIUSA-N 239.403 3.670 30 20 BHED C#Cc1ccc(CN2CC[C@H]2c2ccccc2)cc1 809539464 SVYQWCFZCVGSNO-SFHVURJKSA-N 247.341 3.615 30 20 BHED Cl/C=C\CON=C1CCCCCCC1 811668319 DSPFFAFKVNVGRU-TWGQIWQCSA-N 215.724 3.856 30 20 BHED CC(C)[C@@H]1CCCC(=NOC/C=C\Cl)C1 811670528 UVROHXYRCLLRAC-DIYJKZINSA-N 229.751 3.958 30 20 BHED CC(C)C[C@@H](C)OC(=O)Oc1ccc(C#N)cc1 820739817 WHQNECOXHWUFLJ-LLVKDONJSA-N 247.294 3.508 30 20 BHED C=C(CC)CN[C@H](C)c1ccc(C)c(C)c1O 834903011 NIXHAIOAYNQWFP-CYBMUJFWSA-N 233.355 3.626 30 20 BHED CCCCCCCCC(=O)N1CC(CC)C1 837263548 FTVPKPRQQZFFPI-UHFFFAOYSA-N 225.376 3.605 30 20 BHED C=C[C@H](C)ON=C(C)CCc1ccc(F)cc1 844625768 UKSGLWZKWAMDQR-LBPRGKRZSA-N 235.302 3.725 30 20 BHED C=CCCCC[C@H](C)NCC1SCCS1 850562782 YUTRNATUERPHJS-NSHDSACASA-N 245.457 3.517 30 20 BHED C=C(C)CNc1cccc(OC2CCCC2)c1 913071818 DYIOUGYHWDVIKE-UHFFFAOYSA-N 231.339 3.996 30 20 BHED Cc1cc(N[C@H]2CCCCC2(C)C)ncc1C#N 1306996598 UKWRPINAXIUWDU-ZDUSSCGKSA-N 243.354 3.642 30 20 BHED CC(C)CCNc1c(C#N)cnc2ccccc12 37507634 YHCQMDQABSUSOL-UHFFFAOYSA-N 239.322 3.564 30 20 BHED C=CCCCNc1cc(Cl)ccc1F 70591583 PANQSZQRNCWJDK-UHFFFAOYSA-N 213.683 3.857 30 20 BHED C=CC[C@H](C)NC(=O)C[C@@H](C)c1ccccc1C 116851554 SDZLGOFGDXARRT-KGLIPLIRSA-N 245.366 3.569 30 20 BHED C=CC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Cl 124053458 XPOQSOIPDAQVJO-MRVPVSSYSA-N 240.690 3.625 30 20 BHED C[C@@H](CNCC(C)(C)CCC#N)C(C)(C)C 126851293 FUNVBMCRLXZENH-LBPRGKRZSA-N 224.392 3.588 30 20 BHED C=CCOc1ccccc1CN[C@@H]1CC[C@@H](C)C1 135182557 DNYSVYCTXCAKFE-UKRRQHHQSA-N 245.366 3.530 30 20 BHED C=C(C)COC(=O)[C@H](C)c1ccc(Cl)s1 176751763 RYQMBOUKDDLJNP-MRVPVSSYSA-N 244.743 3.624 30 20 BHED C[C@@H](C#N)Oc1ccccc1N[C@@H]1CC[C@@H](C)C1 180204227 XNSFOHJSHONVKV-FRRDWIJNSA-N 244.338 3.578 30 20 BHED CC(C)(C)CCCCN[C@@H]1CCC[C@@H](C#N)C1 185818573 FVMXEKNSEYHIFI-ZIAGYGMSSA-N 236.403 3.875 30 20 BHED CC[C@H](CC#N)N[C@@H]1CCC[C@H]1c1ccccc1 274392343 VTGZXYVHYCFYNN-OWCLPIDISA-N 242.366 3.605 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cc(C)c(C)o1 282251615 QLXQJLGHBRPHRA-GHMZBOCLSA-N 207.317 3.512 30 20 BHED C=CCC[C@H](N[C@@H](C)CC=C)c1ccco1 309379794 ADRGKQZBKRUHAS-STQMWFEESA-N 219.328 3.841 30 20 BHED C#CCCCNCC[C@H](C)CCC=C(C)C 309759566 MFDVMLLXLWSFOT-OAHLLOKOSA-N 221.388 3.762 30 20 BHED C=CCCCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 310878455 HPRMRTSRGPIGPC-LBPRGKRZSA-N 248.326 3.602 30 20 BHED COc1ccccc1NC1CCC(C)(C#N)CC1 334773320 QFKUUUAOQXYPLK-UHFFFAOYSA-N 244.338 3.580 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)c1ccc2n[nH]cc2c1 353193819 BXFKJQZVRKXDNG-NEPJUHHUSA-N 243.354 3.568 30 20 BHED C=CC[C@@H](CC)NCc1cc(F)c(F)c(F)c1 393807584 RBHLUCIWJIFHAS-SNVBAGLBSA-N 243.272 3.548 30 20 BHED CCC(CC)(CC)NCc1ccc(CC#N)cc1 399122336 IHUHVQRUKSKKTN-UHFFFAOYSA-N 244.382 3.811 30 20 BHED C[C@H](CCC#N)N1CCC[C@H](c2ccccc2)C1 411759051 PLUNGMZQBISUMH-ZBFHGGJFSA-N 242.366 3.558 30 20 BHED CC[C@H](F)CSCc1ccc(C#N)cc1 442540588 JHQUPYUZSJIFNR-LBPRGKRZSA-N 223.316 3.540 30 20 BHED C=CC(C)(C)CN[C@@H](C)CCCc1cccnc1 453305945 IIGMOSIVHRORAD-AWEZNQCLSA-N 246.398 3.595 30 20 BHED CC(C)(CCC#N)CN1CC(C2CCCCC2)C1 459597598 VKYABYKIQGVBIM-UHFFFAOYSA-N 248.414 3.828 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@@H](CC)CCCC 464519892 HNVYLMKYSDYGNG-KBPBESRZSA-N 237.387 3.770 30 20 BHED C[C@@H]1CCC[C@H](CN[C@@H]2CCC[C@H](C#N)C2)[C@@H]1C 481987898 ADKPLBVXBRKIOE-IBEHDNSVSA-N 248.414 3.731 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@@H](CCC)C(C)C 488825565 YZPZXVNLVXTKMQ-KBPBESRZSA-N 237.387 3.626 30 20 BHED C=CCCCSc1cccc([N+](=O)[O-])c1 509089161 JEMIHKJLUROZGJ-UHFFFAOYSA-N 223.297 3.653 30 20 BHED C=CCCCN(C)[C@H](C)c1cc(F)ccc1F 533302283 PKXDQTRNDONLTK-LLVKDONJSA-N 239.309 3.924 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H]1CCC(C)=C(C)C1 566562488 OEBFVPKJMYJJBY-KGLIPLIRSA-N 235.371 3.594 30 20 BHED C=CCCC1(c2nc(CCC(=C)C)no2)CC1 567000133 NRQQVIMHOISSDE-UHFFFAOYSA-N 232.327 3.576 30 20 BHED C=CCCCCN1Cc2ccc(C(C)=O)cc2C1 577587081 KKJYCVJREOSCNV-UHFFFAOYSA-N 243.350 3.561 30 20 BHED CCC1(CC)CCCN([C@H]2CC[C@@H](C#N)C2)CC1 578528349 UYQMSOOVDIVPPE-CABCVRRESA-N 248.414 3.971 30 20 BHED C=CCCN(CC(C)C)c1cccc(OC)c1 606897313 LXYYYNNTHXZUBM-UHFFFAOYSA-N 233.355 3.734 30 20 BHED C=CCCCCCN(C)Cc1cccc(OC)c1 606934470 QGIWEQFHZPYKTM-UHFFFAOYSA-N 247.382 3.873 30 20 BHED C=C(C)CCNc1c(F)cccc1N1CCCC1 685198920 UIIAHURGJQWYIQ-UHFFFAOYSA-N 248.345 3.804 30 20 BHED C=CCCCCCCN[C@@H]1C[C@H](C)O[C@H](C)C1 724285635 HZOXZDPZQTXICR-FICVDOATSA-N 239.403 3.669 30 20 BHED C=C(C)COC(=O)C[C@@H](C)CCCCC 744040106 CMUAZUSXPLPKJY-LBPRGKRZSA-N 212.333 3.712 30 20 BHED CCCC1CCC(=NOCc2cccnc2)CC1 746587204 IYCFFWHGIMLPGC-UHFFFAOYSA-N 246.354 3.945 30 20 BHED C=CCN(C[C@H]1C[C@@H]1c1ccccc1)C(C)C 768547067 HOIRMPPQBKWXRR-HZPDHXFCSA-N 229.367 3.687 30 20 BHED Cc1cccc(F)c1NN=C(C(C)C)C1CC1 769839808 GRNTYDWSQAJXNM-UHFFFAOYSA-N 234.318 3.968 30 20 BHED C#CC[C@@H](NCC(CC)CC)c1ccccc1 776251959 FPUDVAKHXGUUNU-MRXNPFEDSA-N 229.367 3.777 30 20 BHED C=CCCC(=NNc1cc(Cl)ccn1)C1CC1 777906684 ZWZBWCZDVPEPIL-UHFFFAOYSA-N 249.745 3.879 30 20 BHED CCC(C=NNc1ccc([N+](=O)[O-])cc1C)CC 807991287 VNGPKJWGAVGLDS-UHFFFAOYSA-N 249.314 3.737 30 20 BHED C=C(C)CN(C)CCc1ccc(F)cc1Cl 811487671 RLAOLFGNFLXSPN-UHFFFAOYSA-N 241.737 3.530 30 20 BHED Cc1ccnc(NN=C2CCCCC[C@H]2C)c1 844588013 XSXBBKQZIMITHW-GFCCVEGCSA-N 231.343 3.758 30 20 BHED C=C(C)CON=Cc1ccc(C(F)F)cc1 844618590 XKVUWCRGCHXMBI-UHFFFAOYSA-N 225.238 3.551 30 20 BHED CC1=CC(=NNc2ccnc(Cl)c2)CCC1 853393842 COTGKYFKTNEFJV-UHFFFAOYSA-N 235.718 3.633 30 20 BHED Cc1ccc(NN=C[C@@H]2CC=CCC2)cc1F 853438723 LLBYTGBZQQAYGZ-GFCCVEGCSA-N 232.302 3.888 30 20 BHED CCCCCCCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 862354963 BILMZUKGDMGIKE-HZSPNIEDSA-N 237.387 3.509 30 20 BHED O=C(/C=C\c1ccncc1Cl)C1CCCCC1 863181597 OBHGWLLKXOPMND-SREVYHEPSA-N 249.741 3.898 30 20 BHED C=C[C@@H](CC)CC(=O)N1CC[C@H](C)C2(CCC2)C1 935210447 JHYCCEIULKXUIC-KBPBESRZSA-N 249.398 3.627 30 20 BHED CC(C)(C)ON=C1CC(C)(c2ccccc2)C1 1253788214 ASIDSXBQCWBEGM-UHFFFAOYSA-N 231.339 3.909 30 20 BHED C=CCCNc1cc(C)c(Cl)cc1OC 70591260 XRZDYDCEUJQWCO-UHFFFAOYSA-N 225.719 3.645 30 20 BHED CC1(C)CCC[C@@H]1Nc1cccc(C#N)c1 86855723 ZBJOPKLTLMQFTJ-ZDUSSCGKSA-N 214.312 3.549 30 20 BHED CC[C@H](CC#N)NCc1c(C)oc2ccccc12 121282615 IRNBFTULMLMIIA-GFCCVEGCSA-N 242.322 3.523 30 20 BHED C=CCSCc1csc([C@H](C)OCC)n1 122885150 YTGOWYYMWOUIRB-VIFPVBQESA-N 243.397 3.660 30 20 BHED C=CCN(C(=O)c1ccc(C)cc1F)C(C)(C)C 165232891 DUABALDKGVPONR-UHFFFAOYSA-N 249.329 3.561 30 20 BHED C=C(C)CCOc1cccc(Cl)c1[N+](=O)[O-] 168846506 LYVBDEQPESLWDE-UHFFFAOYSA-N 241.674 3.593 30 20 BHED C=CCC(CC=C)C(=O)N(C)[C@H]1CCC[C@@H](C)C1 176938416 LGLZDGURWCIPDH-HIFRSBDPSA-N 249.398 3.792 30 20 BHED Cc1cncc(C(=O)/C=C/c2ccc(C)s2)c1 184779749 RHVZQCNMURBTDI-AATRIKPKSA-N 243.331 3.656 30 20 BHED Cc1ccccc1[C@@H](C)N[C@@H]1CCC[C@H](C#N)C1 185756651 IBOBNKCFVJVMET-QLFBSQMISA-N 242.366 3.728 30 20 BHED C#CCCN[C@@H](C)c1cccc(Cl)c1Cl 223835067 OYMQSRCVZPAMFV-VIFPVBQESA-N 242.149 3.667 30 20 BHED C=C(C)CC(N)(c1ccccc1)c1ccccc1 299805179 BEZZAENNSPBSMC-UHFFFAOYSA-N 237.346 3.855 30 20 BHED C#CCCCCN[C@H](C)CCCC(C)C 308978632 HJBGKOUFVFGGNV-CQSZACIVSA-N 209.377 3.594 30 20 BHED C=C(CC)CN[C@H](c1ccccc1)C(C)C 309808926 SWTBMSRUPTVTLC-HNNXBMFYSA-N 217.356 3.940 30 20 BHED C=CCCCCNCc1cc2ccccc2o1 310197780 RNWHPXKONZXUJT-UHFFFAOYSA-N 229.323 3.879 30 20 BHED C[C@@H](Sc1ccccc1C#N)c1cccnc1 335734740 GOEZUNDLXJTEPC-LLVKDONJSA-N 240.331 3.807 30 20 BHED C=CCC(C)(C)CN[C@@H](C)CCC1CC1 378772446 CTCGBTWDPZNLNP-LBPRGKRZSA-N 209.377 3.757 30 20 BHED C=C(Cl)CNCC1CCC(C(C)C)CC1 380028639 PPVMSIXGECJWEX-UHFFFAOYSA-N 229.795 3.791 30 20 BHED C=CCN[C@H](c1ccc(Cl)cc1)C1CCC1 381498206 BSNOKPPMTOCIPO-AWEZNQCLSA-N 235.758 3.957 30 20 BHED C=CC[C@H](CC)N[C@H](C)Cc1ccccc1F 393793976 NUXSOQCKHAUNFR-OCCSQVGLSA-N 235.346 3.701 30 20 BHED CC(C)C[C@@H]1CCC[C@H](N[C@@H]2CC[C@H](C#N)C2)C1 424195373 CTHGNJHZPSBJFF-YHUYYLMFSA-N 248.414 3.873 30 20 BHED COc1ccc(C#N)cc1CSCC(C)(C)C 440586692 FAISOHXVSZUUHK-UHFFFAOYSA-N 249.379 3.846 30 20 BHED C=C(C)CCN[C@H](C)CCc1ccccc1F 449475575 LNYZMEYGRAUWAS-CYBMUJFWSA-N 235.346 3.703 30 20 BHED C=CC(C)(C)CN[C@H](C)c1cnn(C(C)C)c1C 453306406 JGGFLIINJLNSAY-GFCCVEGCSA-N 249.402 3.635 30 20 BHED C=CCC[C@@H](NCCC1CC(F)(F)C1)C1CC1 453434023 STRGRVLMXRSUCE-CYBMUJFWSA-N 243.341 3.756 30 20 BHED CC#CCCSCCOc1cccc(C)c1 462369815 OHLUOCMFNGMHOO-UHFFFAOYSA-N 234.364 3.520 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCc2c(C)cccc21 467404379 KDWYQVMUAILAMW-XJKSGUPXSA-N 229.367 3.927 30 20 BHED C=CCCCCCN(C(C)C)C1CCC1 488241708 FWZSQRLFBCJHTN-UHFFFAOYSA-N 209.377 3.996 30 20 BHED C=C(C)CCN[C@@H](Cc1ccccc1)C1CC1 509020141 CABYNBFTVPBZPP-INIZCTEOSA-N 229.367 3.564 30 20 BHED C=C(C)CCN1CC[C@H](c2ccccc2C)C1 509903297 ZGOYKVDWUIFAAZ-HNNXBMFYSA-N 229.367 3.751 30 20 BHED N#Cc1cnc(Sc2ccccc2)c(Cl)c1 513620030 QAUKZANMKXSEOG-UHFFFAOYSA-N 246.722 3.758 30 20 BHED C=C(CC)COc1ccc([N+](=O)[O-])cc1Cl 540201096 VYUWSPADDSSINN-UHFFFAOYSA-N 241.674 3.593 30 20 BHED C=CCC(C)(C)c1noc(CCC2CCC2)n1 556362046 XWYCQFNEJMKTGW-UHFFFAOYSA-N 234.343 3.656 30 20 BHED C=CCCCCN1CCC[C@@H]1c1cccc(C)n1 563596309 YYJYGWLOGIAINJ-MRXNPFEDSA-N 244.382 3.883 30 20 BHED C=CCC[C@H](C)Nc1ccc([C@H]2CCOC2)cc1 581958133 MFFVMIWFSFFYQK-ZFWWWQNUSA-N 245.366 3.957 30 20 BHED CC[C@H](NC[C@@H](C)C1CC1)c1ccc(C#N)cc1 618566866 JUOUHDYMHCIYLR-WBMJQRKESA-N 242.366 3.645 30 20 BHED C=CCC1(NC(=O)[C@H]2CCCC2(C)C)CCCC1 619110484 GJWGAQFFEJFFSA-CYBMUJFWSA-N 249.398 3.818 30 20 BHED C=CCC1(NCc2ccc(OC)cc2)CCCC1 657702436 JILFBWUFPKBXGZ-UHFFFAOYSA-N 245.366 3.674 30 20 BHED C=C(C)CCN1C[C@H](C(F)(F)F)CC[C@H]1C 681410371 QTHUJFWRHYDTCT-GHMZBOCLSA-N 235.293 3.615 30 20 BHED C=CCN(Cc1cc(C)ns1)c1ccccc1 683889204 YPNXMJUYWTUODZ-UHFFFAOYSA-N 244.363 3.644 30 20 BHED CCC/C=C/C(=O)O[C@@H](C)c1cccc(C#N)c1 735210922 JBKRVIAQGZOKIZ-LHXVZLOVSA-N 243.306 3.519 30 20 BHED Cc1cc(C)c(C=NOCC(F)(F)F)cc1C 764834416 CFOWRWVYCKXUBN-UHFFFAOYSA-N 245.244 3.525 30 20 BHED C#CCCCN[C@@H](c1ccc(F)cc1)C1CCC1 766914649 CNCSUWKJCAJWIU-MRXNPFEDSA-N 245.341 3.670 30 20 BHED Cc1cc(Cl)ccc1CON=C1CCC1 768921799 GDTVPZPCFNEQHQ-UHFFFAOYSA-N 223.703 3.705 30 20 BHED C=C(C)CCOc1c(F)cc(F)cc1C(C)=O 775203828 HVKXEXJAVXRFFX-UHFFFAOYSA-N 240.249 3.512 30 20 BHED C=C(Cl)CN[C@H]1CC[C@@H](Cc2ccccc2)C1 780530223 SEIDBXCOXIJRIT-GJZGRUSLSA-N 249.785 3.740 30 20 BHED C=CCCCCCCNC(=O)N(CC)C(C)C 805105104 JVAXQMFIIIGTSX-UHFFFAOYSA-N 240.391 3.563 30 20 BHED CC[C@H](C)NN=C(C)[C@@H]1CCCC[C@@H]1C 834973313 NVUAQNHNIUWYJB-GMXVVIOVSA-N 210.365 3.577 30 20 BHED C=CCN(C(=O)[C@@H]1CCC(C)=C(C)C1)C(C)C 843526043 GAGLEHDTDXODBU-CQSZACIVSA-N 235.371 3.546 30 20 BHED CCC[C@H](C)CC(=O)O[C@@H](C)CC(C)(C)C#N 851211096 ZOMAWQGXRBXSFA-RYUDHWBXSA-N 239.359 3.684 30 20 BHED Cc1ccc(C=O)c(OCCCC(C)(C)C#N)c1 871692582 ATMRLYWLPIJNJG-UHFFFAOYSA-N 245.322 3.516 30 20 BHED C=CC(C)(C)CC(=O)N(CC)Cc1occc1C 880290198 UFTMLQRDOYOJAE-UHFFFAOYSA-N 249.354 3.539 30 20 BHED CCCC[C@@H](NCC1(C#N)CC1)c1ccccc1 903105586 FGTHSUYVZFHFFC-OAHLLOKOSA-N 242.366 3.811 30 20 BHED CCCCNN=Cc1ccc(Cl)c(Cl)c1 915969545 MHFAWMYOQNTSAS-UHFFFAOYSA-N 245.153 3.717 30 20 BHED C[C@H](CCC#N)CN1CCc2ccc(Cl)cc21 1205353699 MZDMMWGDACHHOM-LLVKDONJSA-N 248.757 3.642 30 20 BHED CC(C)[C@H](C#N)C=NNc1ccccc1Cl 1253449565 NQILPTMECQQBOQ-SNVBAGLBSA-N 235.718 3.533 30 20 BHED C=C(C)CNc1nc(-c2ccccc2)cs1 232076 LGEAANJVHIFDTD-UHFFFAOYSA-N 230.336 3.798 30 20 BHED C=CCNc1ccc(Cl)c(Cl)c1 41570898 NAZYJWZDNSMILY-UHFFFAOYSA-N 202.084 3.591 30 20 BHED C[C@@H](CC#N)N[C@@H](C)c1ccc2ccccc2c1 68607673 UBQLWSSVHGSNHF-STQMWFEESA-N 238.334 3.793 30 20 BHED C#CCCCOc1ccc(C(C)C)cc1 75421177 ITVYSNFBSDCWPL-UHFFFAOYSA-N 202.297 3.602 30 20 BHED CCCCCCCC(=O)Nc1cccc(C#N)c1 100168462 VJPRGYUFBLIPEE-UHFFFAOYSA-N 244.338 3.857 30 20 BHED CCCCCCCCNCc1scnc1C 109229255 UAHWPYNFYLIDPE-UHFFFAOYSA-N 240.416 3.902 30 20 BHED C=C[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 123470453 WUJJITXZUQTHPQ-QMMMGPOBSA-N 240.228 3.563 30 20 BHED CC#CCCCC(=O)N(C1CC1)[C@H](C)[C@@H](C)CC 185700296 NSZMDJCJEPKPIA-UONOGXRCSA-N 249.398 3.606 30 20 BHED Cc1ccccc1C(C)(C)NCCC(C)(C)C#N 292898810 DMSJSWLYHNNWTA-UHFFFAOYSA-N 244.382 3.760 30 20 BHED CC[C@H](NC1(CC)CC1)c1ccc(C#N)cc1 296651565 YWCHSASIRNBKAN-AWEZNQCLSA-N 228.339 3.542 30 20 BHED CCC(CC)Sc1cccc(F)c1C#N 301146357 LTIYIABVYXTHAS-UHFFFAOYSA-N 223.316 3.978 30 20 BHED CC(C)(C)CCCCNc1ccc(C#N)nc1 301504809 IJNWIZJUQMVQGT-UHFFFAOYSA-N 231.343 3.582 30 20 BHED C=CCCCCNc1cccc(F)c1[N+](=O)[O-] 302275057 SXOZUWQCTRXUFO-UHFFFAOYSA-N 238.262 3.502 30 20 BHED C=CCCCCCCN[C@@H](C)c1ccccn1 310185884 YJMDQUHQISXZNW-AWEZNQCLSA-N 232.371 3.869 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1ccncc1F 338372030 PFDKZRBBTHQNOJ-VXGBXAGGSA-N 236.334 3.616 30 20 BHED C[C@H](c1cccc(Cl)c1)N(C)CC1(C#N)CC1 343138051 GTCCFWDCFWFFFR-LLVKDONJSA-N 248.757 3.637 30 20 BHED Cc1c(Cl)cnc(N[C@@H]2CCC2(C)C)c1C#N 343816210 ZNCSNBHCEYUQJR-LLVKDONJSA-N 249.745 3.516 30 20 BHED C[C@H]1CCN(CC2(C#N)CC2)CC12CCCCC2 360626167 DXMDCNYZPBUSLB-AWEZNQCLSA-N 246.398 3.582 30 20 BHED C=CC[C@H](CC)NCc1cc(C)ccc1F 381345402 YVJTXPDQKICRLI-ZDUSSCGKSA-N 221.319 3.578 30 20 BHED C=C(C)CN(CC)CCCCC(C)(C)C#N 409444640 NADSGTGVVQHFOG-UHFFFAOYSA-N 222.376 3.604 30 20 BHED C=CCC[C@@H](C)NCc1cccc(CSC)c1 437109438 XHZLXLZRECACCM-CYBMUJFWSA-N 249.423 3.994 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc(CC)cc1 467425851 AATHPWICVPFVAY-OAHLLOKOSA-N 231.339 3.790 30 20 BHED C=C(C)CN(CC)C/C(C)=C/c1ccccc1 505877644 UTLNBYILMHOZGB-RVDMUPIBSA-N 229.367 3.988 30 20 BHED C=C(C)CCN[C@H](Cc1ccc(F)cc1)C(C)C 508981353 ZOWYPFPHPCRTRA-MRXNPFEDSA-N 249.373 3.949 30 20 BHED C=CCCN(C)Cc1ccc(C(C)C)cc1 524811213 AVSWZGRCEYCECG-UHFFFAOYSA-N 217.356 3.818 30 20 BHED COC1CC(S[C@@H](C)c2ccc(C#N)cc2)C1 600623080 ZGTQQFABUJKPHT-FNBIGBAISA-N 247.363 3.530 30 20 BHED CC(C)CS[C@@H](C#N)Cc1ccccc1 604553095 JIBDBTGVPFRIRQ-CYBMUJFWSA-N 219.353 3.510 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C(C)(C)CCC)C1 617777514 QTINPBKYRZBNNE-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=CCN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 622942695 XSSQIXVLQLQCLN-UHFFFAOYSA-N 245.366 3.730 30 20 BHED C=CCC1(NCCCCCOC)CCCCC1 625936501 OBGXYFZSAWPQLI-UHFFFAOYSA-N 239.403 3.672 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@@H](C)c1ccco1 626370216 GHRVEQPSQVGXMM-OLZOCXBDSA-N 249.354 3.634 30 20 BHED C=CCC(C)(C)C(=O)Nc1cccc(OC)c1C 628700285 QGMBKVMQCGSFSK-UHFFFAOYSA-N 247.338 3.544 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cscc1Cl 636437555 ULPTXANNOZBKJH-UHFFFAOYSA-N 243.759 3.942 30 20 BHED C=CCN(CC=C)CCCC1CCCC1 642348534 BUDLDDJKNLAERR-UHFFFAOYSA-N 207.361 3.631 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc(C(F)F)nc1 657919668 UWLXHFADFZIACF-UWVGGRQHSA-N 240.297 3.634 30 20 BHED C=C(CC)CN1C[C@H](C(F)(F)F)CC[C@@H]1C 679547263 MRKBEUFZRYKCRA-WDEREUQCSA-N 235.293 3.615 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccc(C)nc1C 684963432 GSEANPFWCIKKBF-KGLIPLIRSA-N 232.371 3.704 30 20 BHED C=C(Cl)CNC(=O)C[C@H](C)CCC=C(C)C 700625830 HWJSFNJIWKQUKR-LLVKDONJSA-N 243.778 3.628 30 20 BHED C=CC[C@@H](C)NC(=S)Nc1cccc(CC)c1 734988042 VEESDOWLLGCHDT-LLVKDONJSA-N 248.395 3.500 30 20 BHED CCCCCCCCC/C=C\C(=O)N1CCC1 737777453 CBJCCHUOJKFNNH-BENRWUELSA-N 237.387 3.916 30 20 BHED CCCCCCCCC(=O)N1C[C@@H](C)C[C@H]1C 740839142 HXRGZDIUADIPDQ-UONOGXRCSA-N 239.403 3.994 30 20 BHED C=CC[C@@H](C)NC(=O)CCCCCC(C)C 747907238 KHLKCAKTWFXPKH-CYBMUJFWSA-N 225.376 3.674 30 20 BHED Clc1cccc(CNN=CCCC2CC2)c1 807976916 CIISUOAKUHRAAI-UHFFFAOYSA-N 236.746 3.606 30 20 BHED Cc1cccc2c1[C@H](C)CC2=NOCC1CC1 814243555 CDWVAOWBZPFPKX-LLVKDONJSA-N 229.323 3.633 30 20 BHED C=CCCCCCCNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12 831993949 YHXNNBHSWIGZAL-SOUVJXGZSA-N 249.398 3.675 30 20 BHED C=C[C@H](C)ON=Cc1ccc(C(F)(F)F)s1 844626045 RKMDFFWRWGIGEB-ZETCQYMHSA-N 249.257 3.692 30 20 BHED CCCC[C@@H](C(=O)O[C@@H](CC)CC#N)C(C)C 857022333 MCKONVNVXWBJAS-QWHCGFSZSA-N 239.359 3.684 30 20 BHED C=C(C)CCC(=O)N(CC)c1cccc(F)c1 1262675124 YNDBBFUSNWMEJU-UHFFFAOYSA-N 235.302 3.535 30 20 BHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCC[C@H](C2CC2)C1 1660068566 QRBRIAXSAMQHAZ-VHDGCEQUSA-N 248.414 3.873 30 20 BHED CC[C@@H](CC#N)NCc1cccc2ccccc12 52061607 VXIJRUPZZSOJBE-HNNXBMFYSA-N 238.334 3.622 30 20 BHED N#Cc1ccc(Sc2cccc(Cl)c2)nc1 54185494 VVJKJAZWMKBBKZ-UHFFFAOYSA-N 246.722 3.758 30 20 BHED CC(C)(CCc1ccccc1)NCCCCC#N 123151254 KXFBBQSSXXDKRM-UHFFFAOYSA-N 244.382 3.681 30 20 BHED CCCCCCCC(=O)NC(C)(C)CC 127648375 DIFPAAQOIORLHJ-UHFFFAOYSA-N 213.365 3.652 30 20 BHED C=C(C)CNc1cc(C)ccc1Br 134219678 CPVZDUNYFQJEFW-UHFFFAOYSA-N 240.144 3.746 30 20 BHED C=CCCC(=O)CSc1cc(C)ccc1C 134655817 AAHKNGAIMCZTHQ-UHFFFAOYSA-N 234.364 3.931 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 136203382 YADPAERBUIEPSA-ZJUUUORDSA-N 209.720 3.565 30 20 BHED C=C[C@@H](C)N[C@@H](CC)c1cccc(Cl)c1 157215776 FRKYIQBKMZKHQB-MFKMUULPSA-N 223.747 3.955 30 20 BHED C=C(C)CN[C@@H](CC(C)C)c1ccccc1 160763000 HPUTXZQWPBALDU-HNNXBMFYSA-N 217.356 3.940 30 20 BHED C=CCCCC(=O)N1CCCC[C@H]1CC(C)C 176962389 UWXBIOXTXHSKQD-AWEZNQCLSA-N 237.387 3.770 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1CCCCC1 188447206 VBROJZOGMRBTCS-WFASDCNBSA-N 237.387 3.674 30 20 BHED Cc1ccc(/C=C\C(=O)c2cccnc2)c(C)c1 211706583 XHBGXLFJPWYANA-FPLPWBNLSA-N 237.302 3.595 30 20 BHED C=CCc1c(Cl)nc(C(C)C)nc1Cl 238180522 ZZJITFDFVYYQQU-UHFFFAOYSA-N 231.126 3.635 30 20 BHED C=CC[C@H](C)[C@H](C)NCCCc1ncccc1C 295072828 RDUKJEQTIXPLML-ZFWWWQNUSA-N 246.398 3.513 30 20 BHED C=C(C)C[C@H](C)c1nc(C2CC(F)(F)C2)no1 296584074 WGLZPPNNVGJJIU-QMMMGPOBSA-N 242.269 3.652 30 20 BHED C[C@@H]1CCN(CCC(C)(C)C#N)c2ccccc21 305463355 FTYOKTYZSROYMX-CYBMUJFWSA-N 242.366 3.940 30 20 BHED C=CCCCCC[C@H](C)NCc1ccoc1 309506277 CARWAHVVCMNCDT-ZDUSSCGKSA-N 221.344 3.894 30 20 BHED C=CC[C@H](C)N[C@@H]1CCCC12CCCC2 328157547 HFKFYJUPCWGWIP-QWHCGFSZSA-N 207.361 3.654 30 20 BHED C[C@@H]1CCCC[C@@H]1NC1CCC(C)(C#N)CC1 336207996 MOKHLHRHWUSWGU-JLVJUDLZSA-N 234.387 3.627 30 20 BHED C=CCCCCN[C@@H](C)c1ccccc1F 390511883 ZOTORDRIAOOONK-LBPRGKRZSA-N 221.319 3.833 30 20 BHED C=CCC[C@@H](C)Nc1cccc(OC)c1F 390523164 FYJGJWAYEULMLQ-SNVBAGLBSA-N 223.291 3.601 30 20 BHED C=CC[C@@H](CC)NC(=O)c1cc(C)c(F)c(C)c1 410130263 LUQUBNBULWVHJK-CYBMUJFWSA-N 249.329 3.527 30 20 BHED C=CCC[C@@H](CC)N[C@H]1COCc2ccccc21 417355560 DJNDGUUCKMUPTN-ZBFHGGJFSA-N 245.366 3.592 30 20 BHED C=CCN(C)Cc1ccccc1OC1CCCC1 428383538 VOAGNAWTUCJIJA-UHFFFAOYSA-N 245.366 3.626 30 20 BHED C=CC(C)(C)CNCc1ccc(SC)s1 449485352 MDUTWKGVSFBTGU-UHFFFAOYSA-N 241.425 3.772 30 20 BHED C=CC(C)(C)C(=O)N1CCC[C@@](C)(CCC)C1 449997814 FVMBDRDYYFARGA-OAHLLOKOSA-N 237.387 3.627 30 20 BHED CC(C)[C@H](NCC1(C#N)CCC1)c1ccccc1 450241474 JDWJTFSZDDVASL-HNNXBMFYSA-N 242.366 3.667 30 20 BHED C=CCCCN1CC[C@@H](C(F)(F)F)C1(C)C 470009147 MMKDHUNVTVHRHG-SNVBAGLBSA-N 235.293 3.615 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](C)CC1 504919170 JUJGOXCGOHRXOL-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=C(C)CCc1noc([C@@H]2CCC[C@@H](C)C2)n1 508688373 WFSPSNUUZFPJBL-VXGBXAGGSA-N 234.343 3.872 30 20 BHED CC(C)C1CCC(CN[C@H]2CC[C@@H](C#N)C2)CC1 511990545 OPFSLOQVUQHSJT-KNIAUWFNSA-N 248.414 3.731 30 20 BHED CC(C)(C)C(C)(C)CN[C@H]1CCC[C@H](C#N)C1 590255447 KAFGBUFJVMCBKJ-STQMWFEESA-N 236.403 3.731 30 20 BHED C=C(C)CN(C)Cc1ccc(C(C)C)nc1CC 645112265 DMTNVVKAWVCTDG-UHFFFAOYSA-N 246.398 3.775 30 20 BHED C=CCCCC[C@@H](C)N[C@H]1CCC(F)(F)C1 648482873 UPBOIYPTMORQII-NEPJUHHUSA-N 231.330 3.899 30 20 BHED C=CCN(Cc1ncc(Cl)s1)C(C)(C)C 661760306 QAHJQWMCIGNPFK-UHFFFAOYSA-N 244.791 3.583 30 20 BHED C=CCCCN(C)c1ccc(C)cc1C 735491651 OMEKYGYLXKPGFI-UHFFFAOYSA-N 203.329 3.706 30 20 BHED CCCC(CCC)NCc1cc(C#N)ccc1F 749131460 MAFVBXRXOBOJLO-UHFFFAOYSA-N 248.345 3.756 30 20 BHED Cc1ccnc(NN=C2CCCCCC2)c1 755906292 LIXSJZQLVOXLKB-UHFFFAOYSA-N 217.316 3.512 30 20 BHED C=CC[C@H](N[C@@H](C)[C@H](C)CC)c1ccncc1 766020086 MFMSMAGPINILPA-IPYPFGDCSA-N 232.371 3.723 30 20 BHED C#C[C@@H](C)N(C)C(=O)CCCCCCCCC 767254406 GVDOQTCCDXUQJS-CQSZACIVSA-N 237.387 3.607 30 20 BHED C#CC[C@H](N[C@H]1CC[C@@H](C)C1)c1ccccc1 773118357 YZGDPUPFBPFPMK-KBMXLJTQSA-N 227.351 3.529 30 20 BHED CCCC[C@@H](CC)C(=O)OCCC(C)(C)C#N 776376201 SFYTZCVSDZIOCC-GFCCVEGCSA-N 239.359 3.686 30 20 BHED CC(C)CC(C)(C)C(=O)OCCC(C)(C)C#N 776392354 ORWCSMHTULUBMT-UHFFFAOYSA-N 239.359 3.542 30 20 BHED CCCCCCCN1CCC(C)(OCC)CC1 794632616 LETMEIJDIIFNGL-UHFFFAOYSA-N 241.419 3.848 30 20 BHED C=C[C@@H]1CCCCN1CCSC(C)(C)C 801951147 BOCJLWPREDYCKV-GFCCVEGCSA-N 227.417 3.559 30 20 BHED CCCCCCC[C@H](C)CNc1nnc(C)o1 804368972 LASCUXFNVXGIIU-NSHDSACASA-N 239.363 3.787 30 20 BHED CCOc1ccc(NN=CC(CC)CC)cc1 814984655 SNVNKDNEQHGUJL-UHFFFAOYSA-N 234.343 3.919 30 20 BHED N#CC1(CCOC(=O)C=C2CCC2)CCCCC1 840283396 VRFHYCQTZAHFOF-UHFFFAOYSA-N 247.338 3.504 30 20 BHED C#CCCCSc1nc(C(C)C)cs1 845329849 FJWLGDMPNAALPK-UHFFFAOYSA-N 225.382 3.772 30 20 BHED C=CCC1(NC(=O)/C=C(\C)Cl)CCCCC1 909222782 ZEBGWUYTTFBLOF-ZHACJKMWSA-N 241.762 3.524 30 20 BHED CCCCCCCC(=O)N(C)CCC(C)C 914500942 CFKKLBNAJNWKRR-UHFFFAOYSA-N 227.392 3.851 30 20 BHED C[C@H](CCC#N)SCc1cccc(F)c1F 918860662 BKUJWVVGFOHIJT-SECBINFHSA-N 241.306 3.890 30 20 BHED C=CCCCCCCCN[C@H](C)c1cn(C)cn1 926442866 HTGXYZZFFAMZLJ-CQSZACIVSA-N 249.402 3.597 30 20 BHED CCN(CCCCC1(C#N)CCC1)C(C)C 929313927 AMIFPWSYLZYVBU-UHFFFAOYSA-N 222.376 3.581 30 20 BHED C=CCC[C@H](NC/C=C/C1CC1)c1ccco1 1326287488 VKVIKRAIQYEJFK-YVZNUBBCSA-N 231.339 3.843 30 20 BHED CCCCCCCCC(=O)NC(C)(C)CF 1330512732 HSOWPROXSKHYKR-UHFFFAOYSA-N 231.355 3.601 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)C[C@H](C=C)CC 1337549128 BJTGGYALOGDGMQ-ZIAGYGMSSA-N 235.371 3.546 30 20 BHED N#Cc1ccc(SC2CCCCC2)cc1 37489110 DBRDMIJGGTUCPG-UHFFFAOYSA-N 217.337 3.983 30 20 BHED CC(C)C[C@H]1CCN(CC(C)(C)CCC#N)C1 93338616 MTXOOZAMLORWPO-CQSZACIVSA-N 236.403 3.684 30 20 BHED C=CCC[C@H](CC)Nc1ccc(CC#N)cc1 133167096 LFWIKVFPVBENRG-AWEZNQCLSA-N 228.339 3.909 30 20 BHED C[C@@H](CC1CCC1)Nc1cccc(C#N)c1 135538514 DGJMDMRUHRZIOL-NSHDSACASA-N 214.312 3.549 30 20 BHED O=C(/C=C/c1ccsc1)c1ccc(Cl)nc1 179411125 LQOKOAZOPFEMDV-HNQUOIGGSA-N 249.722 3.693 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H](C)C[C@H](C)CC 188460401 DWIXPMHJJKTMKQ-MBNYWOFBSA-N 225.376 3.530 30 20 BHED C=CCC1(C(=O)N2CCC[C@H]3CCC[C@@H]32)CCC1 191909030 MXHGIBVORICIST-KGLIPLIRSA-N 247.382 3.524 30 20 BHED CC[C@H]1CC[C@@H](C)N1CCCCC(C)(C)C#N 234046841 BJVLMVRFTTUATK-KGLIPLIRSA-N 236.403 3.969 30 20 BHED C[C@H](C=NNc1ccccc1)c1ccccc1 254865429 LZJAAJGNOGEFKY-CYBMUJFWSA-N 224.307 3.888 30 20 BHED C=CCCCS[C@@H](C)c1cccnc1 289331246 CSYPEGUHSXZLOF-NSHDSACASA-N 207.342 3.842 30 20 BHED C=CCC(CC=C)C(=O)N(C1CCC1)C1CCC1 292483886 DSZKFUHRGGPMQE-UHFFFAOYSA-N 247.382 3.688 30 20 BHED C=CCCC[C@@H](C)Nc1ccnc(C(C)C)n1 301987533 DLEQVDVWIFIKDT-GFCCVEGCSA-N 233.359 3.757 30 20 BHED CC[C@H](C)[C@H](C)Nc1cc(C)cc(C#N)c1 308109765 UMHUUEDNXXOFPS-RYUDHWBXSA-N 216.328 3.713 30 20 BHED C=CCCCCN[C@@H]1CCCc2occc21 309185856 HCNVZAJLNBNGNY-CYBMUJFWSA-N 219.328 3.603 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCC[C@@H](C2CC2)C1 309702963 NHQYNLATCFYRLV-QLFBSQMISA-N 221.388 3.900 30 20 BHED C=C(C)CCNc1cccc(C(=O)CC)c1 309810942 UDVRRRHZXIQSOW-UHFFFAOYSA-N 217.312 3.657 30 20 BHED C=C(CNc1cccc(C)n1)c1ccccc1 340951603 JGKYGGIGPWGOAZ-UHFFFAOYSA-N 224.307 3.515 30 20 BHED C=CCC(C)(C)CNCc1ccc(COC)cc1 394045004 ADBHJDAYTRRIRZ-UHFFFAOYSA-N 247.382 3.525 30 20 BHED C=C(C)C(C)(C)C(=O)NCC1(CCC)CCC1 424724094 RBFOLBRGHUMORC-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCCCCNCCSCc1ccccc1 430761669 KUHSRUWUZOMHMO-UHFFFAOYSA-N 249.423 3.866 30 20 BHED C=CCCCNC(=O)Nc1ccc2ccoc2c1 448068985 YSTDHHSNHPOIBS-UHFFFAOYSA-N 244.294 3.521 30 20 BHED C=C(C)CCNC(=O)[C@H]1CC[C@H](C(C)C)CC1 452715570 DOPADFCQTLWANS-HDJSIYSDSA-N 237.387 3.531 30 20 BHED C=C(C)CCNC(=O)[C@H](C)CC1CCCCC1 452715737 FCBANLZIXNYFSG-CYBMUJFWSA-N 237.387 3.675 30 20 BHED C=C(C)CCN[C@@H](C)c1sc(CC)nc1C 453307282 BVNAKRBWUBMHAX-JTQLQIEISA-N 238.400 3.631 30 20 BHED C=CCCCC(=O)Nc1scnc1C(C)C 456434383 HOGDJSYYORZMGU-UHFFFAOYSA-N 238.356 3.561 30 20 BHED C=C(C)CNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 490026429 NWFLPVTZCUCXCD-OLZOCXBDSA-N 237.387 3.531 30 20 BHED CC(C)N(CCC#N)CC[C@H](C)c1ccccc1 556082248 NJMCSAOEIKTONH-HNNXBMFYSA-N 244.382 3.804 30 20 BHED N#CCC1(CSCC2CCCCC2)CC1 594887489 LWODBKKSTMLFMF-UHFFFAOYSA-N 223.385 3.994 30 20 BHED C[C@H](NC[C@H](C)CCC#N)[C@H]1CCC[C@@H](C)C1 602685530 ILJBPVLNCPAJIN-KBXIAJHMSA-N 236.403 3.731 30 20 BHED C=CC[C@H](N[C@@H](C)CCC1CC1)c1ccncc1 769412719 GJDSIUIZKBKCPI-BBRMVZONSA-N 244.382 3.867 30 20 BHED C=CC[C@H](N[C@H](C)CCC1CC1)c1ccncc1 769412722 GJDSIUIZKBKCPI-CJNGLKHVSA-N 244.382 3.867 30 20 BHED CCCCCC1=CCCC1=NN=c1cc[nH]cc1 779808521 LDBHZUBUHXCOEW-UHFFFAOYSA-N 243.354 3.572 30 20 BHED CC[C@@H](C)NN=C1C[C@H](c2ccccc2)C1(C)C 790183689 UVQABODNFNVPOH-TZMCWYRMSA-N 244.382 3.944 30 20 BHED CCC(CC)CNN=C1CCC[C@H]1CCF 794930044 BDPRMAVZANLLOI-LBPRGKRZSA-N 228.355 3.528 30 20 BHED CC(C)(CCC#N)CN1CCCCCCCC1 824982888 MQXFPJCOULAKPV-UHFFFAOYSA-N 236.403 3.973 30 20 BHED COCc1ccc(N[C@H](C)CC(C)(C)C#N)cc1 829180618 WAERIYOTIODMES-GFCCVEGCSA-N 246.354 3.573 30 20 BHED C=C(Cl)CNC1(c2ccccc2Cl)CC1 829475558 ZKDAAHTWKGYSBI-UHFFFAOYSA-N 242.149 3.671 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1c(C)cc(C)cc1O 834884263 XOCDZMJQJJDUQJ-ZDUSSCGKSA-N 247.382 3.872 30 20 BHED C=C1CCC(c2nc(-c3ccco3)no2)CC1 896216753 FCIRMGSZXKAGRF-UHFFFAOYSA-N 230.267 3.543 30 20 BHED Cc1cccc(C=NNc2ccc(F)cc2)c1 916268228 RHFNDXQSERBBHQ-UHFFFAOYSA-N 228.270 3.580 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@H](C)c1ccccc1C 935799167 KQOSPVJZOYCEIZ-ZIAGYGMSSA-N 245.366 3.569 30 20 BHED C=C(C)CCC(=O)N1CCCCCCCC1 1335949822 RVMSGGCKQHFBMY-UHFFFAOYSA-N 223.360 3.526 30 20 BHED C=C(Cl)CN(C)[C@H]1CCCC[C@H]1CC 1473388573 LFKDZGZLGACJCL-NEPJUHHUSA-N 215.768 3.640 30 20 BHED C#Cc1cccc(N[C@H](C)c2ccccc2F)c1 19876896 KHWNQKHCUYMZHQ-GFCCVEGCSA-N 239.293 3.980 30 20 BHED C=C(C)CN(CC)C(=O)Nc1c(C)cccc1C 33773337 LWZYXSNIMLIBKI-UHFFFAOYSA-N 246.354 3.733 30 20 BHED C=C(C)CN[C@H](C)c1cccc(Cl)c1 49855298 UUCBZYNUTCMABB-SNVBAGLBSA-N 209.720 3.567 30 20 BHED CC[C@@H](Nc1ncccc1C#N)c1ccccc1 50197623 ULDNPCHPHIDQIV-CQSZACIVSA-N 237.306 3.516 30 20 BHED CCCC[C@@H](CC)Nc1ccc(OCC#N)cc1 69370927 QQDDPAWTPFZUGK-CYBMUJFWSA-N 246.354 3.970 30 20 BHED CC1(C)CCCN(Cc2ccc(C#N)s2)CC1 130899098 HHKOVKLNJBJADB-UHFFFAOYSA-N 248.395 3.632 30 20 BHED Cc1cc(C)cc([C@H](C)NCCCCC#N)c1 178640271 JUSXOPUJVGJZRE-AWEZNQCLSA-N 230.355 3.648 30 20 BHED CC#CCCCC(=O)N[C@@H](CCC)CCCC 185777898 NDCYFCAHQPXNNP-AWEZNQCLSA-N 237.387 3.655 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cc(F)ccc1C 189779364 VGUKGHAGJVXESX-CQSZACIVSA-N 235.302 3.675 30 20 BHED C=CCCC(=O)Nc1cccc(C(F)(F)F)c1 196426417 WHYIGEODJMIEHG-UHFFFAOYSA-N 243.228 3.610 30 20 BHED CCCC[C@@H](CC)CNc1cnccc1C#N 219962089 CMRYMDUVWBCMAT-GFCCVEGCSA-N 231.343 3.582 30 20 BHED C[C@H]1C[C@H](C)CC[C@H]1Nc1cc(F)cc(C#N)c1 227619188 KSGVNZBLTVOXPF-JRPNMDOOSA-N 246.329 3.934 30 20 BHED Cc1cc(CSC(C)C)ccc1C#N 260807196 MNCZPHRWFAWLPF-UHFFFAOYSA-N 205.326 3.508 30 20 BHED CCc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 274574399 BHUGOTIGLGWJCK-DUVNUKRYSA-N 242.366 3.592 30 20 BHED C=CC[C@H](C)N[C@H]1C[C@H](C)c2ccccc21 309313111 MRGKAGUIQODWAV-HUBLWGQQSA-N 215.340 3.789 30 20 BHED Cc1nc(Sc2ccccc2F)ccc1C#N 336710491 NAUXBMHKUGHBJF-UHFFFAOYSA-N 244.294 3.552 30 20 BHED C=CCCC(=O)N(c1ccccc1C)C(C)C 357211805 VSAQCQHYMGHWGJ-UHFFFAOYSA-N 231.339 3.703 30 20 BHED C/C(=C\c1ccccc1)CN(C)[C@H](C)CCC#N 411629209 BNLBDCJGQYGTEZ-OKFGHLOFSA-N 242.366 3.714 30 20 BHED CC(C)C[C@@H]1CCC[C@@H](NCC2(CC#N)CC2)C1 430021781 KGHKBCRBPVSKJJ-LSDHHAIUSA-N 248.414 3.875 30 20 BHED C=CCCCCNc1ccnc2nc(C)ccc12 435565335 GLHLXWUGUOOVPP-UHFFFAOYSA-N 241.338 3.706 30 20 BHED CC/C=C/CCNc1cccc(CC#N)c1 453148799 PXLOEBDVLNFGMA-ONEGZZNKSA-N 214.312 3.521 30 20 BHED C=CC[C@H](CC)NC(=O)N(C)[C@@H](C)CCCC 460765332 BPPHZGQYCCPDMR-STQMWFEESA-N 240.391 3.561 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cccc(CC)c1 467512879 JUNTXOOAKUVYEY-OAHLLOKOSA-N 231.339 3.790 30 20 BHED CC(C)=CCC[C@@H](C)CCN(CC#N)C1CC1 482168085 YGPRAGTVYQRRFB-CQSZACIVSA-N 234.387 3.747 30 20 BHED C=CC1CCN(C(=O)CC2CCC(C)CC2)CC1 523712575 BJKVHTRHVHNRBF-UHFFFAOYSA-N 249.398 3.627 30 20 BHED CC[C@@H]1CCC[C@@H](CN(CCC#N)C(C)C)C1 543395150 UDOKDSAYRASDPD-HUUCEWRRSA-N 236.403 3.827 30 20 BHED C=C(C)CN(C)[C@H](CC)c1cccc(OC)c1 561784204 IXXUKFSIYVLRFW-OAHLLOKOSA-N 233.355 3.654 30 20 BHED C=CCC1(c2nc(C(C)C)no2)CCCC1 578717085 QTCDITRYNYBBRU-UHFFFAOYSA-N 220.316 3.581 30 20 BHED CCN(C(=O)CCCCCC#N)c1ccccc1 588750179 FRNVRJBQZHWMIZ-UHFFFAOYSA-N 244.338 3.514 30 20 BHED C[C@]1(C#N)CCCN(CCC2=CCCCC2)C1 590715467 GJALMMYAJXMXAM-OAHLLOKOSA-N 232.371 3.503 30 20 BHED C[C@@H](CCC#N)CN[C@@H](c1ccccc1)C1CC1 602503816 RRINWHRIFCPZOZ-BBRMVZONSA-N 242.366 3.667 30 20 BHED C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccoc1 610830295 KEMDZEKSWIXVDF-RYUDHWBXSA-N 240.306 3.563 30 20 BHED N#Cc1cccc(Nc2ccc(C3CC3)cc2)n1 611305721 FEKSHEFKVSUUEA-UHFFFAOYSA-N 235.290 3.574 30 20 BHED CCCC(C)=NNc1ccc(OC(F)F)cc1 726426821 ITEXMTASNOBUHP-UHFFFAOYSA-N 242.269 3.876 30 20 BHED C=CCCCOC(=O)c1ccc(OC(C)C)cc1 735524218 KJTGJKDEICVYGW-UHFFFAOYSA-N 248.322 3.597 30 20 BHED C=C[C@@H](C)NC(=O)c1ccc([C@@H](C)CC)cc1 757006426 GYSXPEMBYNZBGU-NWDGAFQWSA-N 231.339 3.504 30 20 BHED C[C@H]1C[C@H]1C=NNc1cccc(C(F)(F)F)c1 758358867 MFZFOVLVKODXBW-IUCAKERBSA-N 242.244 3.759 30 20 BHED CC#CCCOC(=O)CC[C@H](C)c1ccccc1 760287399 JUMAPPDWZSODOP-AWEZNQCLSA-N 244.334 3.527 30 20 BHED Cc1ccnc(NN=C2CCCC(C)(C)C2)c1 767789015 RVDKMPSKWKTYOT-UHFFFAOYSA-N 231.343 3.758 30 20 BHED C=CCC[C@@H](Nc1ccc(N(C)C)cc1)C1CC1 777602324 KVKIRRFDVLDEJA-MRXNPFEDSA-N 244.382 3.909 30 20 BHED CC(CCc1ccco1)=NN[C@@H](C)C(C)(C)C 793115223 QAPYUPYLCUSCEL-LBPRGKRZSA-N 236.359 3.612 30 20 BHED CC[C@H]1CCCC1=NOCc1ccccc1OC 799118177 ZPVWXBXQMVLDDR-LBPRGKRZSA-N 247.338 3.778 30 20 BHED C=CC[C@H](CC)Nc1ncnc2sc(C)cc12 799323156 SNENQSIXMDLAAO-JTQLQIEISA-N 247.367 3.766 30 20 BHED C[C@H]1CC[C@H](C=NOC2CCCCC2)C1 800816820 PLXAHINOAUKVEA-RYUDHWBXSA-N 209.333 3.758 30 20 BHED C#C[C@H](N[C@@H]1CCC[C@H]1c1ccccc1)C(C)C 809685241 HYPIZDNNNMRARW-YESZJQIVSA-N 241.378 3.570 30 20 BHED Cc1sccc1C=NOCc1ccccc1 814792149 MFSLJDNJMIRFSZ-UHFFFAOYSA-N 231.320 3.607 30 20 BHED C1CCC(ON=C2CC[C@H]2C2CC2)CC1 814908742 AOMKXGPSOIFPBL-LBPRGKRZSA-N 207.317 3.512 30 20 BHED C=C(C)CCN[C@@H]1CCc2cc(C)ccc21 834882201 LDYYGTDINUAZEQ-OAHLLOKOSA-N 215.340 3.538 30 20 BHED C=CCCC(CC)=NNc1ccnc(Cl)c1 853394587 UJDLLXSKAAJBTH-UHFFFAOYSA-N 237.734 3.879 30 20 BHED CCC(C)=NNc1cccc(F)c1Cl 863157702 QUVIHMGLFNSTAQ-UHFFFAOYSA-N 214.671 3.677 30 20 BHED C=C1CCC(C(=O)N2CC[C@@H](CC(C)C)C2)CC1 889306578 FGVYPVWSNTUNRU-AWEZNQCLSA-N 249.398 3.627 30 20 BHED C[C@@H](CCC#N)CNc1ccc(C(F)F)cc1 897108339 YVSDIOMYECDXBP-JTQLQIEISA-N 238.281 3.976 30 20 BHED Cc1cc(C)cc(C=NNc2ccccc2F)c1 921257757 RRXWDWVGOPTBJQ-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C#CC[C@H](N[C@H](C)C1(Cl)CC1)c1ccccc1 925634883 MGHQKOJYHMCWGU-OCCSQVGLSA-N 247.769 3.501 30 20 BHED C=CCC1(c2nnc(C(C)C)o2)CCCC1 1346652514 UWFXZKGGXKMTJA-UHFFFAOYSA-N 220.316 3.581 30 20 BHED C=C(C)c1cccc(NCCC(C)(C)C(=O)O)c1 1588605221 DJLGPTOSKQVUAV-UHFFFAOYSA-N 247.338 3.633 30 20 BHED Cc1ccc(Oc2ccnc(C#N)c2)cc1Cl 1640032373 AIYPTCVPGUMVPM-UHFFFAOYSA-N 244.681 3.707 30 20 BHED C[C@@H](Nc1ccc(C#N)cc1)c1ccccc1 19950962 OVXPWNRFJVWJSK-GFCCVEGCSA-N 222.291 3.731 30 20 BHED CC[C@@H]1CCCCN1Cc1ccc(CC#N)cc1 57661431 CJIMNOUCGDPBPO-MRXNPFEDSA-N 242.366 3.517 30 20 BHED Cc1ccc(F)cc1CNc1ccccc1C#N 83368220 JNTZUVOJCFMNNW-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CC(C)c1ccc([S@](=O)CCCCC#N)cc1 108065621 GYCSOWFFOCOLSP-KRWDZBQOSA-N 249.379 3.611 30 20 BHED CC[C@@H](CC#N)N[C@H]1CCc2cc(Cl)ccc21 127463741 LQFMMTMWZAZTMS-JSGCOSHPSA-N 248.757 3.609 30 20 BHED C=CCC[C@@H](NCC1(C)CCCC1)C1CC1 129493828 NSMLSBNSMRZKOU-CQSZACIVSA-N 221.388 3.901 30 20 BHED C[C@@H](Sc1cccc(C#N)c1)C(F)(F)F 155791239 IXRGPNGUDYDPAI-SSDOTTSWSA-N 231.242 3.601 30 20 BHED C=CCCC(=O)N1c2ccccc2CC[C@@H]1CC 177656018 IAKKUNFLGKJVNJ-AWEZNQCLSA-N 243.350 3.711 30 20 BHED CCCC[C@H](NCCCCC#N)C1CCC1 184880763 MRPYABKNVJDQDF-AWEZNQCLSA-N 222.376 3.629 30 20 BHED Cc1ccc(C(=O)/C=C\c2cc(F)ccc2F)o1 209183375 NRLSQPJMQMDEBZ-UTCJRWHESA-N 248.228 3.762 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1cc(C)ccn1 293737958 PAMSRQSYQGRWKX-ZDUSSCGKSA-N 232.371 3.643 30 20 BHED C=CCCCNc1ccc(Cl)cc1OC 309036738 IORSCOFXALIMKM-UHFFFAOYSA-N 225.719 3.727 30 20 BHED N#CC1(CS[C@H]2CCc3ccc(F)cc32)CC1 344468541 RRONISYDPSOYNE-ZDUSSCGKSA-N 247.338 3.850 30 20 BHED N#CC1(CSCCC2CCCC2)CCC1 419593359 ZQHGBFDPBFGIHR-UHFFFAOYSA-N 223.385 3.994 30 20 BHED CC[C@@H](F)CSCc1cccc(F)c1C#N 427693258 DDPHNAPWSKEIQM-SNVBAGLBSA-N 241.306 3.679 30 20 BHED CCC[C@H](NCC1(CC#N)CC1)c1ccccc1 430743371 ROAOSOBDXXSNCB-HNNXBMFYSA-N 242.366 3.811 30 20 BHED C=CCC1(C(=O)NC[C@@H]2CC=CCC2)CCCC1 449799931 BCGNYNIRGMEWQA-CQSZACIVSA-N 247.382 3.595 30 20 BHED CC#CCCCC(=O)NCC1CCC(C)(C)CC1 466665034 MXOQNJKEAVBRQD-UHFFFAOYSA-N 249.398 3.513 30 20 BHED C=CCN(c1ccc2ccc(F)cc2n1)C1CC1 485966821 QTRUWMARNHTEIA-UHFFFAOYSA-N 242.297 3.529 30 20 BHED C=CC[C@H](C)NC(=O)C[C@H]1CCCCC1(C)C 503468947 UMDXHOFKHQGNIE-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=CCc1ccc(OCCCCF)c(OC)c1 505690887 XSNSSQWULOHNEG-UHFFFAOYSA-N 238.302 3.552 30 20 BHED C=C(C)CCN1CCC[C@H]1c1ccc(OC)cc1 509276607 KXZGCGKJLQBIBG-INIZCTEOSA-N 245.366 3.798 30 20 BHED C=C(C)CCN1C[C@@H](c2ccccc2)C[C@H]1C 509695306 GTEDFGUDQXOIEL-ZBFHGGJFSA-N 229.367 3.831 30 20 BHED C=CC[C@H](C)NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 512738299 CWVHAWHIFBFSRL-BYNSBNAKSA-N 249.398 3.674 30 20 BHED C=C(CC)CNc1cc(NC(=O)CC)ccc1C 537995915 SZAABDBYIMZEPW-UHFFFAOYSA-N 246.354 3.722 30 20 BHED C=C(CC)CN1C[C@@H](C)[C@@H]1c1ccccc1 538002543 OIXNDPMQCWNMRS-UKRRQHHQSA-N 215.340 3.646 30 20 BHED C=CCCCN(C)[C@H](C)c1ccc(F)c(F)c1 605149803 UXQOOOXHWXAGCS-LLVKDONJSA-N 239.309 3.924 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)C2CCCC2)C1 617782444 FXOSNTVWCZPBQE-ZIAGYGMSSA-N 249.398 3.627 30 20 BHED CC(C)N(CCCCC1(C#N)CCC1)C(C)C 675075889 WLVZEOXBJGGEQR-UHFFFAOYSA-N 236.403 3.969 30 20 BHED C=C(C)CCNc1ccc(-n2cccn2)cc1C 685199838 XBBAXURBQQNABU-UHFFFAOYSA-N 241.338 3.559 30 20 BHED Cc1ccccc1N[C@H](C)CC(C)(C)C#N 709991148 QEVPFLWKCUEUNE-GFCCVEGCSA-N 216.328 3.735 30 20 BHED CCCCCCCC(=O)N(CCC)C1CC1 728837438 ILQFYQBRDXRBSZ-UHFFFAOYSA-N 225.376 3.748 30 20 BHED C[C@@H]1CCCC1=NN[C@H](C)c1ccccc1 729142428 SLBMVBIIZJVNKW-VXGBXAGGSA-N 216.328 3.513 30 20 BHED O=C(/C=C/c1ccc(Cl)nc1)C1CCCCC1 748998500 MAFKFXAXQTWUCT-SOFGYWHQSA-N 249.741 3.898 30 20 BHED CCCCCCCCC(=O)N1CC[C@H](C)C1 750775581 JODUOHDAYMKAOR-ZDUSSCGKSA-N 225.376 3.605 30 20 BHED Cc1ccnc(NN=C2CCC[C@H](C3CC3)C2)c1 755906784 QQJGVBBJBGJKLS-ZDUSSCGKSA-N 243.354 3.758 30 20 BHED C=CCN(Cc1cc(F)c(F)c(F)c1)C(C)C 768548244 YVDMHVOUKUNIPL-UHFFFAOYSA-N 243.272 3.500 30 20 BHED FC(F)(F)[C@@H]1CCCC(=NNC2CCCC2)C1 783512866 HNYQVLCUGZUUHT-SECBINFHSA-N 248.292 3.627 30 20 BHED CC(C)CON=C1CCC[C@@H](C(F)(F)F)C1 783522530 SUXWJEQZMJYQGA-SECBINFHSA-N 237.265 3.768 30 20 BHED C[C@H]1CCCC[C@H]1C=NNc1ccccc1 783771589 FNKWVOWYOSRXTF-STQMWFEESA-N 216.328 3.911 30 20 BHED C=CCCOc1cccc2ccc(Cl)nc12 786754413 UIRSAYUFVMHUPI-UHFFFAOYSA-N 233.698 3.843 30 20 BHED C#Cc1ccc(CNC(C)(C)c2ccccc2)cc1 809609806 OINJZBYUQUOOJV-UHFFFAOYSA-N 249.357 3.693 30 20 BHED C#C[C@H](NC/C(C)=C\c1ccccc1)C(C)(C)C 809780951 BIPPEFUROFHFBU-HECSCLNYSA-N 241.378 3.727 30 20 BHED CC1(C)CCC[C@@H](Nc2cccc(CC#N)n2)C1 1116719049 SHBBQHPEWOFSHF-CYBMUJFWSA-N 243.354 3.528 30 20 BHED CC[C@@H](C)[C@@H](CC)OC(=O)C(C#N)(CC)CC 1122976567 GVHIXGXVRPJTFK-VXGBXAGGSA-N 239.359 3.684 30 20 BHED Cc1cc(NC(C)(C)CC(C)(C)C)ncc1C#N 1158187991 SRRRTCJWHHJULR-UHFFFAOYSA-N 245.370 3.888 30 20 BHED CCC[C@H](C)[C@@H]1CCCN1C[C@@H](C)CCC#N 1204675097 ZEFIMCVZQMXRDB-KKUMJFAQSA-N 236.403 3.827 30 20 BHED CC1(C)CCC[C@H](CN(CCC#N)CC2CC2)C1 1658955782 LZZUREKZGILGHS-HNNXBMFYSA-N 248.414 3.828 30 20 BHED C=CCOc1ccccc1CN[C@@H](CC)C(C)C 42585919 ZEDCVLFNKCXKPX-HNNXBMFYSA-N 247.382 3.776 30 20 BHED Cc1ccccc1N(C)Cc1cccc(C#N)c1 49986536 ADBBCZNTWHYNIA-UHFFFAOYSA-N 236.318 3.503 30 20 BHED C[C@@H]1C[C@@H](C)CN(c2cc(Cl)ccc2C#N)C1 62789845 CTKCXPDRPDSARX-GHMZBOCLSA-N 248.757 3.694 30 20 BHED CC(C)CCN(CC1(CC#N)CC1)C1CCCC1 94848762 FVJNLMMPZYUKOZ-UHFFFAOYSA-N 248.414 3.971 30 20 BHED C=CC[C@H](C)NC(=O)c1sccc1C(C)C 116862390 MZCXCIHSIJCSQJ-JTQLQIEISA-N 237.368 3.566 30 20 BHED CC[C@H]1CCCC[C@H]1N(C)CCC(C)(C)C#N 120725919 YQNAOWJVWXCKMB-UONOGXRCSA-N 236.403 3.827 30 20 BHED Cc1ccc(C)c([C@@H](C)NCC(C)(C)C#N)c1 122300781 GMOUKJDVNPNHFU-CYBMUJFWSA-N 230.355 3.504 30 20 BHED C=C[C@H](CC(=O)N(C)[C@@H](C)CC)c1ccccc1 123942626 HTMUYSHUWBQNEC-UONOGXRCSA-N 245.366 3.603 30 20 BHED C=CCC[C@@H](C)Nc1ccc(F)cc1OC 126888313 WSYHAALFJUHNAV-SNVBAGLBSA-N 223.291 3.601 30 20 BHED CCC(C)(C)[C@@H]1CCCN1CCCCC#N 156941545 CFNKIWZHFKOXNX-ZDUSSCGKSA-N 222.376 3.581 30 20 BHED C=CCCN[C@H](C)c1ccc(CC)s1 168568411 JSSLXGVJMGOHFM-SNVBAGLBSA-N 209.358 3.537 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)[C@H](C)c1ccccc1 193024293 KKVUKVHROUAMSZ-CZUORRHYSA-N 245.366 3.808 30 20 BHED C[C@@H](B1OC(C)(C)C(C)(C)O1)C(C)(C)C 196715285 DAUZUYZUKDTCGK-SECBINFHSA-N 212.142 3.515 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCC[C@H](C)[C@@H]1C 252812825 QPSIVVSFIONPJB-XDQVBPFNSA-N 209.377 3.755 30 20 BHED Oc1ccccc1C=Nc1cccc2cccnc12 255010996 XEACNWPSQOJEBJ-UHFFFAOYSA-N 248.285 3.691 30 20 BHED C=CCCSCc1ncc(C(C)(C)C)o1 265807559 VECKZOGQXPBXPL-UHFFFAOYSA-N 225.357 3.781 30 20 BHED C=CC[C@H](C)[C@H](C)Nc1cccc(OCC#N)c1 272911839 HXPDQGRYIUWPOZ-STQMWFEESA-N 244.338 3.602 30 20 BHED CC[C@H](CC#N)N[C@@H]1CCC[C@H](CC(C)C)C1 300308714 KUYXMDPWMVCNHL-RBSFLKMASA-N 236.403 3.873 30 20 BHED Cc1nc(NCC2(C)CCCCC2)ccc1C#N 311232149 IJRSGRBBLBJOFS-UHFFFAOYSA-N 243.354 3.644 30 20 BHED Cc1cnc(N=C(O)CCC2CCCCC2)o1 329969490 XKJOMCJFUODOAL-UHFFFAOYSA-N 236.315 3.932 30 20 BHED C=C(C)CN(C)Cc1cc(C)c2ncccc2c1 346323975 NCGSJWYEHNXCHW-UHFFFAOYSA-N 240.350 3.551 30 20 BHED C=CCC[C@H](CCC)NC/C=C\C1CC1 378853374 HTLXXXLKGULUMZ-QPBFKRLHSA-N 207.361 3.677 30 20 BHED C=CCN(C)Cc1cccc(OC2CCCC2)c1 428372518 LOOQHPJTUNYMBC-UHFFFAOYSA-N 245.366 3.626 30 20 BHED CC1(C#N)CCC(NCC2C(C)(C)C2(C)C)CC1 449300547 PGIAIZNCJNGXHC-UHFFFAOYSA-N 248.414 3.731 30 20 BHED C=CCCCCCSC[C@@H]1CCOC1 485564964 AHVJRMJTAONZDB-GFCCVEGCSA-N 214.374 3.503 30 20 BHED C=C1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 503042818 PQLGBBHMZARIPZ-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CCCC(=O)N(CCC(C)C)C1CCCC1 523946687 NXPWRMHKBSRJFR-UHFFFAOYSA-N 237.387 3.770 30 20 BHED C=CCN(CCc1ccccc1)[C@@H]1C=CCCC1 524175793 WCEFYTIKFSPQPO-QGZVFWFLSA-N 241.378 3.826 30 20 BHED C=CCCC[C@H](C)NC(=O)C1(CCC)CCC1 539435115 CGNRUNNCUUJMQT-ZDUSSCGKSA-N 237.387 3.818 30 20 BHED C=CCN(C(=O)[C@H]1CCCC[C@H]1C)C(C)(C)C 622945782 SRLBBCVUCFLGDV-OLZOCXBDSA-N 237.387 3.626 30 20 BHED C=C(CC)CN1CC[C@@H]1c1ccc(F)cc1 661514131 PXBXXAXYRIXRQN-CQSZACIVSA-N 219.303 3.539 30 20 BHED CCCCCCCCCC(=O)N(C)CC(F)F 728823566 HPCONFZNFNWCRG-UHFFFAOYSA-N 249.345 3.851 30 20 BHED C[C@@H]1CCCCC1=NNCCCc1ccccc1 729146456 XWIWSSMKCBQLJN-CQSZACIVSA-N 244.382 3.775 30 20 BHED CCC(CC)NN=C(C)c1ccc(C)c(C)c1O 734364838 ICKRQHMGOFXGQS-UHFFFAOYSA-N 248.370 3.511 30 20 BHED CCCCCC[C@H](C)NN=C1CCn2cccc21 743450294 IADQXSUIVWMBBB-ZDUSSCGKSA-N 247.386 3.544 30 20 BHED C=C(C)CCOC(=O)C[C@@H](C)CC(C)C 744300209 SAFPQIQRARRFCP-LBPRGKRZSA-N 212.333 3.568 30 20 BHED C=CCN(C(=O)CC1CCCCCC1)C(C)C 749981846 UELKCVFSSYBQMF-UHFFFAOYSA-N 237.387 3.770 30 20 BHED Cc1ccc(C=NOCCCOC(C)(C)C)cc1 756848665 QKZAORGMVRINOG-UHFFFAOYSA-N 249.354 3.551 30 20 BHED COc1cccc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)c1 762418785 SWWKHCNUYZAWTN-RWMBFGLXSA-N 244.338 3.529 30 20 BHED C=CCCCOC(=O)[C@H](c1ccccc1)C1CC1 765957458 HAUHVBOLVDMBJU-OAHLLOKOSA-N 244.334 3.690 30 20 BHED C[C@@H](C=NNc1ccccc1Cl)CCC#N 765992858 PVCHSAILKFHFNZ-SNVBAGLBSA-N 235.718 3.678 30 20 BHED CCCCCCCC(=O)N1CC[C@@H](C)[C@H](C)C1 766549746 JVWJMSRQBHMUDH-ZIAGYGMSSA-N 239.403 3.851 30 20 BHED CCON=Cc1ccc(SC(F)(F)F)cc1 767464173 NORZTOTUZCXAJX-UHFFFAOYSA-N 249.257 3.669 30 20 BHED Cc1cccc(/C=C\C(=O)c2sccc2O)c1 771743418 FIIXOMDYJIKVOI-WAYWQWQTSA-N 244.315 3.658 30 20 BHED CC[C@@H]1CCCCC1=NNc1ncccc1C 790192867 IFCPPGAYQZOVFE-GFCCVEGCSA-N 231.343 3.758 30 20 BHED CC(C)CCC(=NOCCOC(C)C)C1CC1 812240174 JKKRXLACCVIUIC-UHFFFAOYSA-N 241.375 3.630 30 20 BHED N#C[C@@H]1CCC[C@@H](OC(=O)CCC2CCCC2)C1 839042710 IFHTWWNSFRIWRZ-ZIAGYGMSSA-N 249.354 3.582 30 20 BHED N#Cc1cccc(CN2CCCc3ccccc32)c1 6792947 RLAQSBCLPCPHMF-UHFFFAOYSA-N 248.329 3.511 30 20 BHED N#Cc1ccc(NCCC2=CCCCC2)c(F)c1 40453914 XHCAFNXHUWVYSQ-UHFFFAOYSA-N 244.313 4.000 30 20 BHED Cc1ccc(C#N)cc1NCC1CCCCC1 50429141 DPASMUXIOGLRPX-UHFFFAOYSA-N 228.339 3.859 30 20 BHED CCC1CCC(N(C)CCC(C)(C)C#N)CC1 87595316 UKRAYGDUWKBISI-UHFFFAOYSA-N 236.403 3.827 30 20 BHED C#C[C@@H](C)N[C@@H](Cc1ccccc1)c1ccccc1 123008409 QYBAQOGFBPATAX-QAPCUYQASA-N 249.357 3.582 30 20 BHED C=C(C)CN[C@@H](C)c1ccc(C(F)(F)F)cc1 128476868 XFWGRLBVWCUFJE-JTQLQIEISA-N 243.272 3.932 30 20 BHED C=CCCC(=O)O[C@@H](C)c1cc(C)ccc1OC 160204899 QWNOPSMANTWZBW-LBPRGKRZSA-N 248.322 3.574 30 20 BHED C#CCCCN[C@H](CC(C)C)c1cccs1 178058679 TZZGRQHIDBGKOR-CYBMUJFWSA-N 235.396 3.838 30 20 BHED N#CCCCCN[C@@H]1CCc2cc(Cl)ccc21 178648757 DRUJBWUGCSNDBY-CQSZACIVSA-N 248.757 3.611 30 20 BHED CCC1(CN[C@H](C)c2cccc(C#N)c2)CCC1 224714682 OPENELCPOIPDLX-CYBMUJFWSA-N 242.366 3.789 30 20 BHED CC(C)(C)c1ccc(CNCCCCC#N)cc1 236745410 OKINQIRWIIUAOZ-UHFFFAOYSA-N 244.382 3.768 30 20 BHED C[C@H]1CCCCN([C@H](C)c2cccc(C#N)c2)C1 248966897 RYIMPDUYAWMAPC-UONOGXRCSA-N 242.366 3.741 30 20 BHED Cc1cccc(N=Cc2ccccc2O)c1C 254095587 CGAZQAQAVMZWCB-UHFFFAOYSA-N 225.291 3.760 30 20 BHED C[C@@H]1CCCC(=NNc2nc3ccccc3[nH]2)C1 254509075 KUOAITJKVJHWIK-SNVBAGLBSA-N 242.326 3.541 30 20 BHED CCN(CCCCF)[C@H](C)c1ccc(C#N)cc1 285889876 GDBLVGOMRNXFRH-CYBMUJFWSA-N 248.345 3.691 30 20 BHED C=CC(C)(C)C(=O)Nc1cccc(F)c1Cl 297595913 AFQBVOUSPLQRJK-UHFFFAOYSA-N 241.693 3.630 30 20 BHED C[C@H]1CC(C)(C)CC[C@H]1Nc1ccc(C#N)cn1 301512855 DMDUJXKPBZVGRK-WCQYABFASA-N 243.354 3.580 30 20 BHED CC(C)C[C@@H](C)CN[C@H](C)c1ccc(C#N)cc1 302447309 WZVPSVQDTPBDIV-ZIAGYGMSSA-N 244.382 3.891 30 20 BHED C=C(Cl)CSC[C@H]1CC1(Cl)Cl 307706746 YDUWCVYOGXHKKF-ZCFIWIBFSA-N 231.575 3.666 30 20 BHED N#Cc1cc(Cl)ccc1N[C@H]1CC[C@@H](F)C1 309572067 NHNVHSCEQRKGKM-MNOVXSKESA-N 238.693 3.514 30 20 BHED CCCC[C@H](C)Nc1cccc(CC#N)c1 313477002 KQSCLKINGDQUFX-LBPRGKRZSA-N 216.328 3.743 30 20 BHED CC1(CNc2ncc(C#N)cc2Cl)CCCC1 343038709 NAQVZXDYPSWZMU-UHFFFAOYSA-N 249.745 3.599 30 20 BHED CC(C)(C#N)CCCN1CCC[C@H]1C1CCC1 368405379 RVAKFXQXGVKBRW-AWEZNQCLSA-N 234.387 3.581 30 20 BHED C=CCCCNCc1cc(C)cc(Cl)c1 378719323 DZOFECZOUOULAQ-UHFFFAOYSA-N 223.747 3.704 30 20 BHED C=CC(C)(C)CN[C@H](C)CCCC(F)(F)F 384880800 UMMWCTSJUKMKAJ-SNVBAGLBSA-N 237.309 3.909 30 20 BHED C=C(C)CCN[C@H]1C[C@@H](C)c2c(C)ccc(O)c21 386787773 NSMJLDPWUMPTDZ-OLZOCXBDSA-N 245.366 3.805 30 20 BHED C=CCCCCN[C@@H]1CCCC12CCC2 394735400 NJAIMRSSHOQOIA-CYBMUJFWSA-N 207.361 3.655 30 20 BHED Cc1ccc(C)c2[nH]c(-c3cccc(C#N)c3)nc12 430935734 RCZWMZUSWDDHOC-UHFFFAOYSA-N 247.301 3.718 30 20 BHED C[C@@H]1CCCC[C@@H]1CNC1CCC(C)(C#N)CC1 449096726 JTQWDGMOGWVQHJ-WXLSXGNJSA-N 248.414 3.875 30 20 BHED C=CC(C)(C)CN[C@H]1CCCOc2ccccc21 453304133 DXISGHCMPZQMHP-AWEZNQCLSA-N 245.366 3.702 30 20 BHED C=C[C@@H]1CCCCN1c1ccc(C#N)c(Cl)c1 486497746 LYUAXLZTAZFQHB-GFCCVEGCSA-N 246.741 3.757 30 20 BHED CC(C)CSCc1cccc(F)c1C#N 488265485 ROWXAQSMTBBHCW-UHFFFAOYSA-N 223.316 3.587 30 20 BHED C=CCCC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 501652036 ULUJMHJWRCSVPL-OAHLLOKOSA-N 249.329 3.605 30 20 BHED C=CCN1C[C@@H](C)CC[C@H]1c1ccccc1OC 510192647 NOWWAQWFEAVLKR-ZFWWWQNUSA-N 245.366 3.654 30 20 BHED C=CCC[C@H](NCC1(SCC)CC1)C1CC1 595098561 IKXXNSYSOYSMGR-ZDUSSCGKSA-N 239.428 3.607 30 20 BHED CCCC[C@@H](C)N(C)CCc1ccc(C#N)cc1 595489926 KKDPDIITFJNBGP-CQSZACIVSA-N 244.382 3.611 30 20 BHED CC(C)CC1(NCCCCC(C)(C)C#N)CC1 595830549 HQRXWPICLSOPOR-UHFFFAOYSA-N 236.403 3.875 30 20 BHED C[C@@H](N[C@H]1CCC12CCC2)c1cccc(C#N)c1 619723854 RJRUJHNASKNBPF-DOMZBBRYSA-N 240.350 3.542 30 20 BHED CCC#C[C@@H](C)N[C@H](c1ccccc1)C1CC1 678893963 XFMXMTLTNAJHFD-CZUORRHYSA-N 227.351 3.529 30 20 BHED C=C[C@@](C)(CC)c1nc(C2CCCCC2)no1 682374970 KABZSFJULUVFOJ-AWEZNQCLSA-N 234.343 3.971 30 20 BHED C=CCCC(=O)OCc1csc2ccccc12 726655867 WUJQKOHDSWFVHY-UHFFFAOYSA-N 246.331 3.911 30 20 BHED CC[C@@H](C)CSCc1ccc(OCC#N)cc1 756952171 NGYWHPWBDFLTLJ-GFCCVEGCSA-N 249.379 3.868 30 20 BHED C=CCC[C@@H](O)CN(c1ccc(C)cc1)C(C)C 760830494 HCRPQHPTKCBCCL-MRXNPFEDSA-N 247.382 3.537 30 20 BHED C#CCCCN(Cc1cccc(Cl)c1)C(C)C 766894345 BJCRDVOTALVBEJ-UHFFFAOYSA-N 249.785 3.964 30 20 BHED Clc1ccc(/C=C\CON=C2CCC2)cc1 786741296 LBDYZVNMXDYMPO-IHWYPQMZSA-N 235.714 3.910 30 20 BHED CC[C@@H](C)CON=C1CCC[C@H]1c1ccccn1 793159066 KTNATEIYAXBTMR-OLZOCXBDSA-N 246.354 3.768 30 20 BHED CC(=NOCC1CC1)c1ccc2ccccc2c1 814244072 CTJXKLWJDDSVDI-UHFFFAOYSA-N 239.318 3.990 30 20 BHED CC(C)(C)C=NNc1cc(C(F)(F)F)ccn1 834984023 KULFRPCJOSNPLX-UHFFFAOYSA-N 245.248 3.544 30 20 BHED Cc1ccccc1C=NOCc1ccccc1C 852234839 QYWQQBWQHGXMRP-UHFFFAOYSA-N 239.318 3.854 30 20 BHED CCCSC[C@H](C)Nc1cccc(CC#N)c1 894768052 QKZISFFWDDFTMC-LBPRGKRZSA-N 248.395 3.696 30 20 BHED Cc1ccccc1CNc1ccc(CC#N)cc1 35046249 YPHYXLQFKVRYHD-UHFFFAOYSA-N 236.318 3.673 30 20 BHED CC[C@@H](C[C@H](C)CC)NCc1ccc(C#N)cc1 37748313 AGVXMOANDZPTQV-CJNGLKHVSA-N 244.382 3.863 30 20 BHED Cc1ccccc1N[C@H](C#N)Cc1ccccc1 37854906 DEHDKWWPCJAJGO-HNNXBMFYSA-N 236.318 3.542 30 20 BHED C=CCCCN(CCC(F)(F)F)CC1CC1 84137536 RZCWUVRKXHVLLY-UHFFFAOYSA-N 235.293 3.617 30 20 BHED CCCCCCCn1ccc(C(F)(F)F)n1 128193074 IJKQGBNTUCMGBR-UHFFFAOYSA-N 234.265 3.872 30 20 BHED C=CCCCC(=O)Nc1cccc(SC)c1 175086999 OMHZFJCIMGFDRO-UHFFFAOYSA-N 235.352 3.703 30 20 BHED CCC[C@@H]1CCCCN1Cc1ccccc1C#N 213415184 DJJSVCPBWZYZKD-MRXNPFEDSA-N 242.366 3.713 30 20 BHED C[C@H]1CCCC[C@@H]1Nc1cc(F)cc(C#N)c1 227605746 VFMLLRAJLKPQGG-HZMBPMFUSA-N 232.302 3.688 30 20 BHED Fc1ccc(C=NOCc2ccc(F)cc2)cc1 249997246 OLNGQYWOCAMUBE-UHFFFAOYSA-N 247.244 3.516 30 20 BHED CC(C)c1ccccc1NC(=O)CC(C)(C)C#N 278360495 YJKBWLMKRBUMTE-UHFFFAOYSA-N 244.338 3.688 30 20 BHED C=C[C@@H](C)Nc1nc(C(F)F)nc2ccccc12 301583926 ALDCIQPWNDLVKC-MRVPVSSYSA-N 249.264 3.554 30 20 BHED C=C(Cl)CN(C)[C@@H](CC)Cc1ccccc1 303923634 PEVNPHAYSRRKTA-AWEZNQCLSA-N 237.774 3.692 30 20 BHED N#Cc1ccc(OCc2sccc2Cl)cc1 304279036 DWTNHYWSAPBMNO-UHFFFAOYSA-N 249.722 3.852 30 20 BHED CC#CCN[C@@H](c1ccc(Cl)cc1)C(C)C 309349046 MJCGBMTYUWURGR-CQSZACIVSA-N 235.758 3.650 30 20 BHED C=CC[C@H](CC)NCc1cc(F)ccc1C 309470255 QNJXGYWPEAOMPB-AWEZNQCLSA-N 221.319 3.578 30 20 BHED Cc1cccc(/C(O)=N/[C@@](C)(C#N)CC(C)C)c1 330753900 DXCANABVOWHGKM-OAHLLOKOSA-N 244.338 3.628 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1ccncc1F 338372028 PFDKZRBBTHQNOJ-NWDGAFQWSA-N 236.334 3.616 30 20 BHED Cc1ccccc1[C@H](NCC1(C#N)CC1)C(C)C 343582508 PQPNVRIRSWDQJW-OAHLLOKOSA-N 242.366 3.586 30 20 BHED C=CCCCCN[C@@H]1CCC[C@H]1CCCF 381622023 CVTGBRYCDHMXIB-UONOGXRCSA-N 227.367 3.851 30 20 BHED C=CCC(C)(C)CN[C@H]1CCC[C@@H]1CC 381834764 QJVONQMFFVYFME-STQMWFEESA-N 209.377 3.757 30 20 BHED C=CCC(C)(C)C(=O)NC[C@@H]1CCC[C@H]1C1CC1 412475391 MQEXHSGRCXYFAJ-KBPBESRZSA-N 249.398 3.531 30 20 BHED C=CC(C)(C)C(=O)N[C@H](C)CCCC(C)C 448646849 JVZSDQZFACLKIJ-GFCCVEGCSA-N 225.376 3.530 30 20 BHED N#CC1(CSc2cccc(F)c2)CCC1 450868801 MXHAOTOPQNZREX-UHFFFAOYSA-N 221.300 3.612 30 20 BHED CC#CCCN1C[C@@H](c2ccccc2C)C[C@@H]1C 462314080 NJTBNOMVSGUJPL-HOTGVXAUSA-N 241.378 3.586 30 20 BHED CCN(C[C@@H]1C[C@H]1C)[C@@H](C)c1ccc(C#N)cc1 488303751 XFZOWBUZHRDYCQ-WWGRRREGSA-N 242.366 3.597 30 20 BHED C=C(C)CN[C@H]1CCC[C@H]1Cc1ccccc1 493442785 OXAIDISIUYJSBX-HOTGVXAUSA-N 229.367 3.564 30 20 BHED C=CCCCCCN1CCCC[C@@H]1c1cc[nH]n1 510154885 RLUFJOTZQZZVOV-OAHLLOKOSA-N 247.386 3.683 30 20 BHED C=C(CC)CN1CC[C@@H](c2ccc(F)cc2)C1 552950257 IXEFGUGAXPPDSE-CQSZACIVSA-N 233.330 3.581 30 20 BHED C=CCCCCN1CCC[C@@H]1c1c(C)n[nH]c1C 580277858 IQZYPQBMEPNZPT-CQSZACIVSA-N 247.386 3.520 30 20 BHED C[C@H]1CN(C[C@H](C)CCC#N)[C@@H]1c1ccccc1 602483618 NCBDXGNCWLPTQS-YCPHGPKFSA-N 242.366 3.619 30 20 BHED C=CCCC[C@@H](C)NC(=O)CC(C)(C)CC 678881762 REBGPLWWYSNDHB-GFCCVEGCSA-N 225.376 3.674 30 20 BHED C=C(C)COC(=O)[C@@H](c1ccccc1)C(C)C 744039790 APHHNBVOBNXVQA-CQSZACIVSA-N 232.323 3.546 30 20 BHED CC(=NNC1CC1)c1cc(Cl)sc1Cl 758133733 TZFJPYUHFMXISA-UHFFFAOYSA-N 249.166 3.531 30 20 BHED C=CCCOC(=O)c1ccc(-c2ccco2)s1 766287354 NTRVWXKTWCPNKJ-UHFFFAOYSA-N 248.303 3.741 30 20 BHED C/C(=C/C(=O)OCCCCC(C)(C)C#N)C1CC1 768624828 AJXSYJIHYSDJNS-BENRWUELSA-N 249.354 3.606 30 20 BHED Oc1ccccc1/C=N/[C@H]1CC12CCCCC2 770567520 DYQHUINTBGPCDW-LUYJPIOASA-N 229.323 3.534 30 20 BHED C[C@H]1C[C@H]1c1ccc(C=NOC2CCCC2)o1 774596389 DOXKGOANJVSGIE-GXFFZTMASA-N 233.311 3.696 30 20 BHED CCCC1CCC(=NNc2ccnc(F)c2)CC1 781130594 YZJXXAYJBABMMP-UHFFFAOYSA-N 249.333 3.979 30 20 BHED C=CCOc1ccc(OC(=O)/C(=C/C)CC)cc1 789385926 AYTXFAKZBPETDJ-LFYBBSHMSA-N 246.306 3.513 30 20 BHED CC[C@H](C)NN=Cc1ccc(Cl)cc1Cl 790186968 DBPTZIFKLLYRIX-QMMMGPOBSA-N 245.153 3.715 30 20 BHED Cc1cccc(NN=C2CCC[C@@H]2CCF)c1 794855431 TURTUUQYECSMOC-GFCCVEGCSA-N 234.318 3.923 30 20 BHED CC(C)CCC(=NOCc1cccnc1)C1CC1 802712445 NHVGJRJGUXVEKG-UHFFFAOYSA-N 246.354 3.800 30 20 BHED C=C[C@H](C)ON=C(C)CCc1ccc(OC)cc1 844624703 NEEJWRDCGDSDDB-ZDUSSCGKSA-N 247.338 3.595 30 20 BHED C=C(Cl)CNc1cccc(CC(F)(F)F)c1 849315359 RHWOBYIOFXYNIK-UHFFFAOYSA-N 249.663 3.956 30 20 BHED C[C@H]1C[C@@H]1C=NNc1ccc(F)c(Cl)c1 863179458 XDANKHYWWVWHAR-JGVFFNPUSA-N 226.682 3.533 30 20 BHED Cc1ccc(COc2ccccc2C#N)cc1F 1164658857 HRCQFNQSFLMPEF-UHFFFAOYSA-N 241.265 3.585 30 20 BHED Cc1cc(Cl)cc(C)c1NC(=O)C#CC(C)C 1334374511 SSJMJPUTEKCHOE-UHFFFAOYSA-N 249.741 3.555 30 20 BHED C=CCC[C@H]1CCCN1C(=O)C(CC=C)CC=C 1339037210 MHGCGWGNVUNFKU-HNNXBMFYSA-N 247.382 3.712 30 20 BHED C[C@@H](S[C@@H](C#N)C1CC1)c1ccccc1F 1643668883 QKORPBJVUQHPDO-RNCFNFMXSA-N 235.327 3.922 30 20 BHED CC(C)C[C@H]1CCCCCN1CCCC#N 77364343 GZNLRESGEZLIOD-CQSZACIVSA-N 222.376 3.581 30 20 BHED CC1(C)CCC[C@H]1Nc1cccc(C#N)c1 86855724 ZBJOPKLTLMQFTJ-CYBMUJFWSA-N 214.312 3.549 30 20 BHED CCCCCCCC(=O)Nc1ccc(O)cc1C 112985635 MHBJAQWMVUCING-UHFFFAOYSA-N 249.354 4.000 30 20 BHED CCCCCCCCC(=O)Nc1nocc1C 123297572 NQHRHWNRZMNRLY-UHFFFAOYSA-N 238.331 3.672 30 20 BHED CC(C)CCC[C@@H](C)Nc1ccc(C#N)nc1 129195325 JJKRCVGPVFFWQE-GFCCVEGCSA-N 231.343 3.580 30 20 BHED C#CCCCN(C)[C@@H](C)c1cccc(Cl)c1 161100899 KUIXPYQDVTXEGD-LBPRGKRZSA-N 235.758 3.746 30 20 BHED C=CC[C@H](C)N[C@H](CC)c1cccc(F)c1 164090158 QQXMFRSIGMPCLY-SMDDNHRTSA-N 221.319 3.831 30 20 BHED C=C(C)CCOc1ccc(Cl)cc1C(C)=O 167995321 KFHJYBBHAKEJGT-UHFFFAOYSA-N 238.714 3.888 30 20 BHED Cc1cc(CN(CC#N)C2CCCC2)c(C)s1 172570624 WYBGTVDNQOMIGF-UHFFFAOYSA-N 248.395 3.633 30 20 BHED C#CCCCN[C@@H](C)c1ccc(OCCC)cc1 178062155 AHUPYDUDCXZCQG-AWEZNQCLSA-N 245.366 3.539 30 20 BHED CC#CCCCC(=O)N[C@@H]1CCC[C@@H]1CCCC 185449745 YFJVPUBBGMELMO-LSDHHAIUSA-N 249.398 3.655 30 20 BHED CC(C)OCCS[C@@H](C)c1cccc(C#N)c1 190795751 DBVCWBSFYDKTPX-LBPRGKRZSA-N 249.379 3.777 30 20 BHED O=C(/C=C\c1ccc(F)cc1)C1CCCCC1 200166243 QCHWJOPNIQKQNG-FLIBITNWSA-N 232.298 3.988 30 20 BHED CC1=CC[C@@H](N[C@H](C)c2ccc(C#N)cc2)CC1 284197484 RYLLAJRXNVHFBN-CZUORRHYSA-N 240.350 3.708 30 20 BHED C=CCC(CC=C)C(=O)N1CC(C)(C)[C@@H]1C(C)C 293852359 JFMQRZJMMSZFAQ-AWEZNQCLSA-N 249.398 3.648 30 20 BHED CC1(C)CCC[C@H](c2noc(C(C)(C)C#N)n2)C1 340084125 ZDLZHUHFKJMRTL-JTQLQIEISA-N 247.342 3.555 30 20 BHED CCC1(CC)CCN([C@@H](C)CCC#N)CC1 411558100 FAANFSDAVXFQHB-ZDUSSCGKSA-N 222.376 3.581 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccc(C)c(F)c1 424529384 FYKJYFHHLVXXJL-UHFFFAOYSA-N 235.302 3.675 30 20 BHED C=CCC1(C(=O)N[C@@H](C)CCC=C(C)C)CCC1 452537877 AZWHJSXPMGMSDB-AWEZNQCLSA-N 249.398 3.984 30 20 BHED C=C(C)CCc1noc(/C=C\c2cccs2)n1 508643815 PIOWVLZZQODPRY-VURMDHGXSA-N 246.335 3.810 30 20 BHED C=CCN1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 523448295 RIXNNLJWZHCNGG-ZBFHGGJFSA-N 229.367 3.954 30 20 BHED C=CC[C@@H](C)NC(=O)Nc1ccc(CC)c(C)c1 539874103 KKKKYLDIOXRLEJ-GFCCVEGCSA-N 246.354 3.644 30 20 BHED C=CCOCCOc1ccc(Cl)cc1Cl 549012392 JLOOBXWDYUNTKG-UHFFFAOYSA-N 247.121 3.575 30 20 BHED C=CCC[C@@H](CCC)N[C@H](C)c1ccnc(O)c1 550860495 KDYIJAOEVTTYBO-TZMCWYRMSA-N 248.370 3.573 30 20 BHED C=CCC(C)(C)c1noc(CC(C)(C)C2CC2)n1 551493099 VBERAKBHNFNRRA-UHFFFAOYSA-N 248.370 3.902 30 20 BHED C=CCOCCOc1c(Cl)cccc1Cl 558807204 GRVCBCRBVJOXKT-UHFFFAOYSA-N 247.121 3.575 30 20 BHED CC(C)C(CN1CCC[C@](C)(C#N)C1)C(C)C 585767311 JYIRJBCDILLHOU-OAHLLOKOSA-N 236.403 3.540 30 20 BHED Cc1cc(SCC2(CC#N)CC2)ccc1C#N 594914540 WRAZFLJDZLNHNS-UHFFFAOYSA-N 242.347 3.653 30 20 BHED N#C[C@@H]1CC[C@@H](N2CC[C@H](C3CCCCC3)C2)C1 595731592 ATASPWASPJADDA-VNQPRFMTSA-N 246.398 3.581 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H]1CCC(C)(C)C1 620857850 LPBNDUFYSHEJIT-GFCCVEGCSA-N 237.387 3.674 30 20 BHED C=CCC(C)(C)c1noc([C@@H](C)c2ccco2)n1 645629013 BEBICKVBKCURIL-JTQLQIEISA-N 246.310 3.668 30 20 BHED CCCCCCCNCc1ccc(COC)cc1 703759074 GDJHRTHLYHADCN-UHFFFAOYSA-N 249.398 3.893 30 20 BHED CCC(=NNc1ncnc2sccc12)C(C)C 725818447 MJFQBQARJZCJFB-UHFFFAOYSA-N 248.355 3.525 30 20 BHED C#CCCNc1ccccc1CCC(F)(F)F 760303674 HKBHYPSJNXXNNJ-UHFFFAOYSA-N 241.256 3.617 30 20 BHED N#Cc1cccc(NN=C/C=C\c2ccccc2)c1 767336542 RCXIAAUBBQVBBJ-BVYRLRBXSA-N 247.301 3.669 30 20 BHED CC(=NNc1ccc2[nH]ncc2c1)C1CCCC1 779815911 GHEPPRMYLXBWSR-UHFFFAOYSA-N 242.326 3.541 30 20 BHED C=CCN(C[C@H](C)c1ccc(F)cc1)C(C)C 783529665 NQPJGGJIDRSLDI-ZDUSSCGKSA-N 235.346 3.826 30 20 BHED CCc1ccccc1NN=C1CCC1(C)C 788991224 HRJFVAFVWKFNDB-UHFFFAOYSA-N 216.328 3.837 30 20 BHED C=CCCC(=O)OCc1cccc(C(F)F)c1 791764814 UMFMLURBWDLLCU-UHFFFAOYSA-N 240.249 3.634 30 20 BHED CC[C@@H]1CC[C@H](C)CC1=NO[C@H]1CCCCO1 797402053 UNQXPLDYKFIHSY-SCRDCRAPSA-N 239.359 3.732 30 20 BHED C=CCCCCCCN[C@@H](CC)c1nccn1C 806167684 FMHYNVNUUXARKL-AWEZNQCLSA-N 249.402 3.597 30 20 BHED Cc1ccc(NN=C2CC[C@@H]2C2CCC2)cc1 814687315 SSBMOGWLOJXGPK-CQSZACIVSA-N 228.339 3.973 30 20 BHED C=C(C)C(C)(C)C(=O)N1CCCCCCCC1 819557614 AAJFHLVCLZRVLQ-UHFFFAOYSA-N 237.387 3.772 30 20 BHED CC(CC(C)(C)C)=NNc1ncc(F)cc1F 835023177 BWQXZUQEYITATD-UHFFFAOYSA-N 241.285 3.584 30 20 BHED C=CCOCCSc1nc(C(C)C)cs1 845331535 XVOUCGVBRDLICE-UHFFFAOYSA-N 243.397 3.561 30 20 BHED C[C@@H](CCSc1ccccc1)ON=CC1CC1 853735397 UGOAFMITGANNPL-LBPRGKRZSA-N 249.379 3.970 30 20 BHED COc1ccccc1C(C)=NNc1ccccc1 916245989 RGJQTPMAKZWTOV-UHFFFAOYSA-N 240.306 3.531 30 20 BHED C=CCCC[C@H](C)OC(=O)c1csc(C#N)c1 1122733000 ZNVHXWRPZWTOMZ-JTQLQIEISA-N 249.335 3.521 30 20 BHED C=C(CC)C(=O)N[C@@H](C)c1cc2ccccc2o1 1123809617 HYVCQLSXZOPAOE-NSHDSACASA-N 243.306 3.576 30 20 BHED CCCC[C@H](C)C(=O)O[C@@H](CC#N)c1ccco1 1345981823 LJYZXUFRBJVMOE-AAEUAGOBSA-N 249.310 3.604 30 20 BHED CC(Cc1ccccc1Cl)=NOC(C)C 1347935381 MLRKTMCCGLFAGN-UHFFFAOYSA-N 225.719 3.683 30 20 BHED C[C@H](c1ccc(C#N)cc1)N(C)c1ccsc1 1654903949 NZKLCMBWQCKRDS-LLVKDONJSA-N 242.347 3.817 30 20 BHED CC[C@@](C)(C#N)SC(=S)c1ccccc1 60011220 PLCFUVHOKGMNCT-LBPRGKRZSA-N 235.377 3.788 30 20 BHED C[C@H](C#N)Nc1ccccc1CCC(F)(F)F 89099372 GAQPIAPYEIAYKP-SECBINFHSA-N 242.244 3.505 30 20 BHED C=CCCC(=O)N(C)c1ccc2ccccc2c1 102218746 VJRHHERUPVONIT-UHFFFAOYSA-N 239.318 3.769 30 20 BHED C[C@@H]1CCC[C@H](CNc2ccc(C#N)cc2)C1 108886747 LMDLUEJHLDRPLR-OCCSQVGLSA-N 228.339 3.796 30 20 BHED Cc1ccoc1C(=O)/C=C/c1ccc(F)cc1F 119043924 CANCNTNXONPLTR-HWKANZROSA-N 248.228 3.762 30 20 BHED CC(C)c1ccc([C@H](NCC#N)C(C)C)cc1 127041559 YPGDFOLWPVFDRW-OAHLLOKOSA-N 230.355 3.620 30 20 BHED N#Cc1ccc(F)cc1CSCc1ccco1 129974084 HXIYXKCCWYDROU-UHFFFAOYSA-N 247.294 3.724 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1cscn1 133100627 KOOIHHFKHPQDNL-QWRGUYRKSA-N 224.373 3.539 30 20 BHED C=C(C)CCN[C@@H]1CCCC[C@H]1C(C)C 168062822 YUMKQQKTBBWCFG-UONOGXRCSA-N 209.377 3.757 30 20 BHED C[C@H]1CCCCN1Cc1ccc(Cl)cc1C#N 186562076 PFQSUTUZGCRTAB-NSHDSACASA-N 248.757 3.586 30 20 BHED C[C@@H]1CC[C@@H](Nc2cccc(C#N)c2)C[C@H]1C 251986813 ZBNRQQOUZNVXFA-LALPHHSUSA-N 228.339 3.795 30 20 BHED C/C=C\CSCc1ccc(C#N)cc1F 255170509 ZROLGBGLBINECX-IHWYPQMZSA-N 221.300 3.507 30 20 BHED Cc1ccc(CN2CCC(CCC#N)CC2)cc1 260299234 ZBXDGTQIWBXNPK-UHFFFAOYSA-N 242.366 3.511 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(Cl)cn1 281614402 NFXAPXWCVNZWHS-CMPLNLGQSA-N 238.762 3.740 30 20 BHED C=CCCCCNc1c(F)cc(C#N)cc1F 302308004 ZWDWWILGYGNRIN-UHFFFAOYSA-N 236.265 3.605 30 20 BHED C=C(Br)CSC[C@@H](C)CC 307194653 PWXKGOBVGACZDF-ZETCQYMHSA-N 223.179 3.674 30 20 BHED C=CCC[C@H](N[C@H]1CC[C@H](C)C1)C1CC1 309151382 WLPREBYRMWUUCH-UBHSHLNASA-N 207.361 3.509 30 20 BHED C=C(C)CCNc1ccc(C2CC2)cc1 380068954 CSWUBQTUODJXQB-UHFFFAOYSA-N 201.313 3.942 30 20 BHED C=CC[C@@H](CC)NCc1ccc(F)c(Cl)c1 381304224 JIDQSAWMFCBCCO-LLVKDONJSA-N 241.737 3.923 30 20 BHED C=CCOc1ccccc1CN[C@@H]1CCC1(C)C 385155045 ZWCZZQSYJCEYSQ-OAHLLOKOSA-N 245.366 3.530 30 20 BHED C=CCC[C@H](CC)NC[C@@H]1CCC(F)(F)C1 393736717 ACVGNRWTZGBGFB-NEPJUHHUSA-N 231.330 3.756 30 20 BHED N#C[C@@H]1CC[C@H](N[C@H]2CCCC23CCCCC3)C1 424327134 MPBBMCXXXJTYER-ILXRZTDVSA-N 246.398 3.771 30 20 BHED CC/C=C\CCN(C)[C@H](C)c1cccc(C#N)c1 425535618 NQGUWUMSXMFOHE-GEXIGZQTSA-N 242.366 3.907 30 20 BHED C=C(C)CCN(C)[C@H](C)c1cccc(C#N)c1 425536537 OTGYNKFJYFYLJP-CYBMUJFWSA-N 228.339 3.517 30 20 BHED C=CCC[C@H](NCc1ccc(C)cc1)C1CC1 439076940 HTJHPILOPYZEJH-INIZCTEOSA-N 229.367 3.829 30 20 BHED C=CCC[C@@H](C)NC[C@@H](OCC)c1ccccc1 446832842 AVKUHYGMOCOHNA-GDBMZVCRSA-N 247.382 3.709 30 20 BHED C=CCCCC[C@H](C)NCCc1ccncc1C 449214461 WTEBZBINTOOSBK-HNNXBMFYSA-N 246.398 3.657 30 20 BHED C=C(C)CCN[C@H](C)CCc1ccsc1 449476367 MNJZNPDNDGANEJ-GFCCVEGCSA-N 223.385 3.625 30 20 BHED CC#CCSCc1cccc(C(F)F)c1 479600747 FCUOOKOKANPGDY-UHFFFAOYSA-N 226.291 3.881 30 20 BHED C=CCCCC(=O)N(CCCCC)C(C)C 480727851 KGWLRTLTDLWAIU-UHFFFAOYSA-N 225.376 3.770 30 20 BHED C=C(C)CCc1noc(-c2ccc(C)cc2)n1 508666980 RJJKJHOBUROMSV-UHFFFAOYSA-N 228.295 3.554 30 20 BHED C=C(C)CN(C)Cc1cc(C)cc(Cl)c1 512213023 NHIQFGODGQQBIH-UHFFFAOYSA-N 223.747 3.656 30 20 BHED C=CCC[C@H](NCC1(C2CC2)CCC1)C1CC1 540154117 ODNGCSTVOXEITQ-HNNXBMFYSA-N 233.399 3.901 30 20 BHED C=C(C)CN1CCCC[C@@H]1c1ccccc1OC 592332100 RAVZIYDBEYAORU-OAHLLOKOSA-N 245.366 3.798 30 20 BHED C[C@@H](CCc1ccccc1)NC[C@H](C)CCC#N 602504505 RYROCHRSUYMURF-CABCVRRESA-N 244.382 3.537 30 20 BHED N#Cc1ccc(/C=C\c2cscc2Cl)nc1 610927779 KUXOADMFSUVBJS-RQOWECAXSA-N 246.722 3.839 30 20 BHED C=CCC1(NC(=O)[C@@H]2CC23CCC3)CCCCC1 654021103 UZYXZPMJMKAXFN-ZDUSSCGKSA-N 247.382 3.572 30 20 BHED C=CCCCOC(=O)C(C)(C)Cc1ccccc1 735559183 NIWWKKRWSDQURK-UHFFFAOYSA-N 246.350 3.765 30 20 BHED CC(=NNc1c(F)cccc1F)C1CCCC1 735615473 NVTNHLHTBLKKSH-UHFFFAOYSA-N 238.281 3.943 30 20 BHED CCCC(=CC(=O)OCC1(CC#N)CC1)CCC 771281911 IKJMTJSINGNBPM-UHFFFAOYSA-N 249.354 3.750 30 20 BHED CCC(CC)[C@H](C)C(=O)OCCC(C)(C)C#N 776396638 MHYPBJBSNFJPEU-NSHDSACASA-N 239.359 3.542 30 20 BHED C=CCCCCCN(C)C(=O)/C(C)=C(/C)CC 779959397 VBHVXAPDMCLILM-YPKPFQOOSA-N 237.387 3.938 30 20 BHED C=C[C@@](C)(CC)C(=O)Oc1ccc(F)cc1C 786642069 MYKWUWLUSKKLAA-AWEZNQCLSA-N 236.286 3.642 30 20 BHED C#Cc1cccc(NCCCCOC(C)(C)C)c1 788793495 GBPJPEAMKUFBQF-UHFFFAOYSA-N 245.366 3.675 30 20 BHED CC1CCC(=NN[C@H](C)C(C)(C)C)CC1 793111746 LPLSKVKDOLJOEC-RRKGBCIJSA-N 210.365 3.577 30 20 BHED CCc1cccc(C)c1NN=C1CCCOCC1 799493400 AHAKQOCTBLYOFH-UHFFFAOYSA-N 246.354 3.526 30 20 BHED CC(C)SCCSc1ccccc1C#N 800834909 BPYROZWJDMLUMC-UHFFFAOYSA-N 237.393 3.792 30 20 BHED CC[C@H]1CCC1=NNc1cccc(C)c1 807943047 ADEDQVGKGBHDQQ-NSHDSACASA-N 202.301 3.583 30 20 BHED C#CCCN[C@@H](C)c1ccc(F)c2ccccc12 808768682 OJHVBDRZFBMVHK-LBPRGKRZSA-N 241.309 3.653 30 20 BHED C=CCCCCCCCNC(=O)[C@H](F)C(C)C 810766094 IIDSVFFGOIWOBE-CYBMUJFWSA-N 243.366 3.623 30 20 BHED C=CCCCCOC(=O)c1ccc(C)cc1F 811012410 KJIAROZOJXDHBV-UHFFFAOYSA-N 236.286 3.647 30 20 BHED CCC(CC)CNN=Cc1ccc2[nH]ccc2c1 811648236 HICJHURBHLDFMC-UHFFFAOYSA-N 243.354 3.528 30 20 BHED CC(CCC1CCCC1)=NOC1CCC1 812238531 YZTVJSNVUXLXLN-UHFFFAOYSA-N 209.333 3.902 30 20 BHED N#CCCCC(=O)O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 812824779 LJVZEDLHXNALER-BFHYXJOUSA-N 249.354 3.582 30 20 BHED C[C@H]1CCC(=NNc2ccc3ccccc3n2)C1 814697667 XFFPHIVVYHSZQS-NSHDSACASA-N 239.322 3.823 30 20 BHED C#CCCCCCC(=O)N[C@@H](CCC)C1CCC1 838313469 XOCBWPYPFAXPPD-HNNXBMFYSA-N 249.398 3.655 30 20 BHED CCCC(=NOCc1cccnc1)[C@H]1CC1(C)C 841633635 QYDYECQKSXLWBF-CYBMUJFWSA-N 246.354 3.800 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(Cl)cc1O 841753323 GUBGIILLNANFEO-SNVBAGLBSA-N 239.746 3.662 30 20 BHED Cc1cccnc1NN=C1[C@@H]2CCC[C@@H]2C1(C)C 853338761 REKXGFOLRJTNSI-NEPJUHHUSA-N 243.354 3.614 30 20 BHED Cc1cccc(NN=C2CCC23CCCC3)n1 863159868 HFQPLMPLXLAAPV-UHFFFAOYSA-N 229.327 3.512 30 20 BHED Cc1ccnc(NN=C2CC3(CCCC3)C2)c1 901198591 MUXPRLGDKVKTNO-UHFFFAOYSA-N 229.327 3.512 30 20 BHED O=C1/C(=C\c2ccccc2)Cc2c(F)cccc21 921263563 GNVNDVWYQUKEDR-XFXZXTDPSA-N 238.261 3.648 30 20 BHED C[C@H](C1CC1)N(C)CCCCC1(C#N)CCC1 929203673 NLWUHFDFWRKBAL-CYBMUJFWSA-N 234.387 3.581 30 20 BHED CCNc1ccc(C#N)cc1NCCCCCF 1117046698 BVWNKAXFTOBABJ-UHFFFAOYSA-N 249.333 3.542 30 20 BHED CCC[C@@H](Nc1nccc(C)c1C#N)C(C)(C)C 1163327580 WUIIUOFCGNXNKR-CYBMUJFWSA-N 245.370 3.888 30 20 BHED C=CCC[C@H]1CCCN1C(=O)[C@H]1CC12CCCC2 1338296170 YGCNTLYCGFBELL-UONOGXRCSA-N 247.382 3.524 30 20 BHED C=C(CC)C(=O)N(C1CC1)[C@H](C)c1ccccc1 1349651960 CXJFKHREOPNVPG-CYBMUJFWSA-N 243.350 3.705 30 20 BHED CCN(CCC1CCCCCC1)[C@H](C)C#N 1560024695 QLFUUOWAXRUKIO-CYBMUJFWSA-N 222.376 3.581 30 20 BHED C=C(Cl)CN(c1ccccc1C)C(C)C 1616173951 MEQPIXHMSXNLKB-UHFFFAOYSA-N 223.747 3.962 30 20 BHED C=CCOc1ccccc1CNC1CCCCC1 6313049 ULAWTGAZEUHUPE-UHFFFAOYSA-N 245.366 3.674 30 20 BHED CC(C)(C)C[C@@H](NCCC#N)c1ccccc1 37240396 IAGAXWIKUHEWTL-CQSZACIVSA-N 230.355 3.667 30 20 BHED C[C@H]1C[C@H](C)CN(c2ccc(C#N)c(Cl)c2)C1 61850748 DCWZSVSZHLDRGQ-QWRGUYRKSA-N 248.757 3.694 30 20 BHED N#CCCCN1CCC[C@H](c2ccccc2)CC1 66898352 XFHNMBYWCRGEOH-INIZCTEOSA-N 242.366 3.560 30 20 BHED C=CC[C@H](C)NC(=O)[C@@H](c1ccccc1)C(C)C 80348449 CFBYXPVYVIFNPN-DZGCQCFKSA-N 245.366 3.507 30 20 BHED C#CCCCCN[C@H](C)C(C)(C)c1ccccc1 90397928 UINSWNIVHKTMFC-OAHLLOKOSA-N 243.394 3.746 30 20 BHED CS[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2)C1 117327864 HCLBDFURJUDHGJ-KGLIPLIRSA-N 246.379 3.644 30 20 BHED CCC(CC)COc1ccc(C#N)c(F)c1 128937543 BMNFKASYZMOWAA-UHFFFAOYSA-N 221.275 3.512 30 20 BHED CCCC1CCC(Nc2cnccc2C#N)CC1 135598028 VRHLZVOTDCDOES-UHFFFAOYSA-N 243.354 3.724 30 20 BHED CC[C@H](c1ccc(F)cc1)N1CCC(C#N)CC1 154501730 OSZFZGGWUHSGAI-OAHLLOKOSA-N 246.329 3.512 30 20 BHED C=CC[C@H](C)N[C@H]1C[C@@H](C)c2c(C)ccc(O)c21 168834214 PXYJDXHWHDLUQU-AGIUHOORSA-N 245.366 3.803 30 20 BHED CC[C@H](NCCCCC#N)c1ccccc1F 180429741 LBKRCDMXEHJKMX-AWEZNQCLSA-N 234.318 3.560 30 20 BHED C[C@@H](N(C)Cc1cccc(C#N)c1F)C(C)(C)C 223519951 SHHMBAVVCRLOKG-LLVKDONJSA-N 248.345 3.564 30 20 BHED C=CCCCN[C@@H](C)c1ccccc1OCC 301727678 JVINZEFVGSQFHB-ZDUSSCGKSA-N 233.355 3.702 30 20 BHED CCc1cccc(Nc2c(C#N)cccc2C#N)c1 302852521 QFFGGUSOQMRJCI-UHFFFAOYSA-N 247.301 3.736 30 20 BHED C=CCCNc1ccccc1OCCCC 309611333 AHHAQEABIHHJBB-UHFFFAOYSA-N 219.328 3.854 30 20 BHED CC1(C#N)CCN([C@@H]2/C=C/CCCCC2)CC1 334244700 CCHOVYCOMKFBDU-HZRUHFOJSA-N 232.371 3.501 30 20 BHED CCCCN[C@H]1CCCCc2cc(C#N)ccc21 360841887 UNRWBEMRPLNIKN-INIZCTEOSA-N 242.366 3.715 30 20 BHED C=C(Cl)CN[C@H](C)[C@H]1CC2CCC1CC2 382118779 LLIDKNMMHAUBFW-IKWCTNDRSA-N 227.779 3.543 30 20 BHED C=CCC[C@@H](NC[C@H](C)CC(F)(F)F)C1CC1 414289909 WKKPXKHDUKZOPP-ZYHUDNBSSA-N 249.320 3.909 30 20 BHED C=CCC1(NC(=O)[C@@]23CCC[C@@H]2C3)CCCCC1 421554049 MRMJINHWXMLXNC-CZUORRHYSA-N 247.382 3.572 30 20 BHED C=CCC[C@@H](Nc1ccc2c(c1)CCN2)C1CC1 423209396 FERVOPUWTDAOCS-MRXNPFEDSA-N 242.366 3.811 30 20 BHED C=CC[C@@H]1N(Cc2ccn(C)c2)CCCC1(C)C 446831956 KPGCGZVSVZAYRX-HNNXBMFYSA-N 246.398 3.592 30 20 BHED CC[C@@H]1CCCN1CC#Cc1cccc(Cl)c1 446839525 BCJGRCQRXDBDHU-OAHLLOKOSA-N 247.769 3.566 30 20 BHED N#Cc1cnc(NCC2=CCCCC2)c(Cl)c1 450585971 QXQASDLENJZYRB-UHFFFAOYSA-N 247.729 3.519 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1sccc1OC 453306461 JPFOTVFJEBXGHG-JTQLQIEISA-N 239.384 3.620 30 20 BHED Clc1cccc(C#CCSCC2CC2)c1 460868237 IEMWSTRFKFORRD-UHFFFAOYSA-N 236.767 3.835 30 20 BHED C=C[C@H](C)NC(=O)CC(C)(C)C1CCCCC1 476307962 IROHOUSINUXWNO-LBPRGKRZSA-N 237.387 3.674 30 20 BHED C=CCSc1nc2cc(F)cc(Cl)c2o1 478820050 JLRSVIFTPPOTDT-UHFFFAOYSA-N 243.690 3.898 30 20 BHED CCN(C[C@@H]1C[C@@H]1C)[C@H](C)c1ccc(C#N)cc1 488303754 XFZOWBUZHRDYCQ-ZENOOKHLSA-N 242.366 3.597 30 20 BHED C=C(CC)CN(C)[C@@H](C)c1ccccc1F 536905692 VCWJPKYBASIJOG-LBPRGKRZSA-N 221.319 3.785 30 20 BHED C=C(CC)CN(Cc1ccccc1)CC(F)F 539103518 CSMAXSCOOQRPBQ-UHFFFAOYSA-N 239.309 3.720 30 20 BHED C=CCC(C)(C)c1noc(CCC(C)(C)C)n1 571825806 XQFOHXSWPVRWJM-UHFFFAOYSA-N 236.359 3.902 30 20 BHED CC(C)=CCC[C@H](C)NCc1ccc(C#N)cc1 582807439 FCGXJYQFBQIIIY-AWEZNQCLSA-N 242.366 3.783 30 20 BHED Cc1ncccc1CSc1ccccc1C#N 589255675 AXZHIXVPPLLOIA-UHFFFAOYSA-N 240.331 3.554 30 20 BHED COCc1ccc(SCC(C)(C)CC#N)cc1 594889412 DROJITWFWPBNES-UHFFFAOYSA-N 249.379 3.865 30 20 BHED N#C[C@H]1CC[C@@H](NC2CCC(C3CCC3)CC2)C1 594943411 DDEHDCGXBFYACC-HOJRLLLISA-N 246.398 3.627 30 20 BHED Cc1cccc2c1CCCN2CCC(C)(C)C#N 611462599 RYOQNLPLYFPCOB-UHFFFAOYSA-N 242.366 3.688 30 20 BHED C[C@H]1CCCC1=NNc1ccc(F)cc1F 729141101 SHXVCEWXRVLDOL-QMMMGPOBSA-N 224.254 3.553 30 20 BHED COc1cccc(O)c1C=Nc1cscc1C 747690896 QPGGODQRQYFADD-UHFFFAOYSA-N 247.319 3.521 30 20 BHED C=CCCC(=NNc1ccc(C#N)cc1)C1CC1 747753073 KUUUBYHBMFLUEE-UHFFFAOYSA-N 239.322 3.702 30 20 BHED COc1ccc(NN=C(C)CC2CCC2)cc1 750945663 IHRPJQVEDJKJKS-UHFFFAOYSA-N 232.327 3.673 30 20 BHED C[C@@H]1C[C@@H]1C=NNc1cccc(Cl)c1F 758375016 NGCAIAJICIRMOB-HTQZYQBOSA-N 226.682 3.533 30 20 BHED CC(C)(C)CC(=O)OCCCCC(C)(C)C#N 768375698 YEJARWAXCUWNHF-UHFFFAOYSA-N 239.359 3.686 30 20 BHED CC(=NOC1CCCC1)c1cc(F)ccc1F 774606242 GCSYJPAWHHKLAJ-UHFFFAOYSA-N 239.265 3.648 30 20 BHED C=CCCC(=NOCCC(F)(F)F)C1CC1 777461170 VTMUBFQCIXHKPF-UHFFFAOYSA-N 235.249 3.688 30 20 BHED C=C(C)CN(C)C(=O)c1ccc([C@H](C)CC)cc1 778124830 SWGBTJJKWUTOTR-CYBMUJFWSA-N 245.366 3.848 30 20 BHED CC(C)[C@@H]1CCCC1=NNCCC(C)(C)C 782903438 VYBJBQAAIMWNCK-LBPRGKRZSA-N 224.392 3.824 30 20 BHED CCN(CCC#N)[C@@H]1CCc2cc(Cl)ccc21 795926268 FAJIWQKAGOJAHI-CQSZACIVSA-N 248.757 3.563 30 20 BHED FC(F)CON=CCC1CCCCCC1 799113653 SPXVEDCUKDHQDF-UHFFFAOYSA-N 219.275 3.614 30 20 BHED CC#CC(=O)NC(CCCCC)CCCCC 801184270 OSJVFCYABPHZQD-UHFFFAOYSA-N 237.387 3.655 30 20 BHED Cc1ccc(NN=Cc2ccc3[nH]ccc3c2)cc1 811629627 ZBKUBSJHRYHKAF-UHFFFAOYSA-N 249.317 3.922 30 20 BHED CCCC(=NOC1CCC1)c1ccc(OC)cc1 814936222 FPTLHDKZIBQYDA-UHFFFAOYSA-N 247.338 3.769 30 20 BHED CC(C)(C)SCCS[C@H]1CC[C@H](C#N)C1 829506403 UTSWVTNVMFGKAT-QWRGUYRKSA-N 243.441 3.944 30 20 BHED CC[C@H](CC(C)C)C(=O)OCC(C)(C)CC#N 835304706 WVUZJKNUCTVXQF-GFCCVEGCSA-N 239.359 3.542 30 20 BHED CC(C)SCSc1cccc(C#N)c1 863309877 ZYMNLSGUWNZOMI-UHFFFAOYSA-N 223.366 3.749 30 20 BHED Cc1ccc(C)c(C=NNc2ccccc2)c1 916245867 HBXDORMWUILLRT-UHFFFAOYSA-N 224.307 3.749 30 20 BHED CC[C@@H](C)C(C)=NNc1ncccc1Cl 917549338 MGBDWTZAFDQZHO-MRVPVSSYSA-N 225.723 3.569 30 20 BHED N#CC1(C(=O)OCC2CCCCC2)CCCCC1 920018477 OSNYKLALOYOQJI-UHFFFAOYSA-N 249.354 3.584 30 20 BHED C=C[C@@H](COC)N[C@@H](C)c1ccc(C(C)C)cc1 1255020100 XWCWWYSCDRLQIW-BBRMVZONSA-N 247.382 3.662 30 20 BHED C=CCC1(c2nnc(C3CCCC3)o2)CCC1 1326552679 KKJFPGDICICISC-UHFFFAOYSA-N 232.327 3.725 30 20 BHED CC[C@@H](C)CSCc1ccc(F)cc1C#N 1459000664 PSJWOUUQCKCCCP-SNVBAGLBSA-N 237.343 3.977 30 20 BHED CCCC[C@H](CCC)CNc1cccc(C#N)n1 1612109412 RGCBOMKTNHANLU-ZDUSSCGKSA-N 245.370 3.972 30 20 BHED CCCCC[C@@H](NCCC#N)c1ccccc1 37240276 MVBFWZCGXRJMGR-OAHLLOKOSA-N 230.355 3.811 30 20 BHED C[C@H](c1ccc(Cl)cc1)N1CCC(C#N)CC1 57872851 UJLOAHAXUJGGOI-LLVKDONJSA-N 248.757 3.637 30 20 BHED C=C(Cl)CNC[C@H](C)CCc1ccccc1 133674370 XORLZECDQYNUNO-GFCCVEGCSA-N 237.774 3.597 30 20 BHED Cc1nsc(N[C@H]2CCCC(C)(C)C2)c1C#N 167064282 JMXVXEBEWQJMIS-JTQLQIEISA-N 249.383 3.704 30 20 BHED CC(C)C[C@H]1CCN(CCCC(C)(C)C#N)C1 174883132 CKUWQJPCWIFNRX-CQSZACIVSA-N 236.403 3.684 30 20 BHED C[C@H](N(C)Cc1ccc(F)c(C#N)c1)C(C)(C)C 229748286 BLUUNDPUJGXZMN-NSHDSACASA-N 248.345 3.564 30 20 BHED CC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 274199164 KFZKEBXBLUVDMH-BPUTZDHNSA-N 242.366 3.810 30 20 BHED C=CCCN(C)C(=O)C[C@H](CC)c1ccccc1 276438355 SKMRXVZUHNPIMM-AWEZNQCLSA-N 245.366 3.605 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1cnn(C(C)C)c1 293680236 KHMCQAPDVNZZEC-CYBMUJFWSA-N 249.402 3.717 30 20 BHED N#CCCN[C@H](c1ccc(F)cc1)C1CCCC1 299496074 BBYOJLQXDHKSDT-HNNXBMFYSA-N 246.329 3.560 30 20 BHED N#Cc1ccc(N[C@H]2CC23CCCCC3)cc1 301969228 BFKWWJKVGKKTIW-AWEZNQCLSA-N 226.323 3.693 30 20 BHED C=C(Br)CSCC=C(C)C 307002723 CVCSOQFDRHSZQO-UHFFFAOYSA-N 221.163 3.594 30 20 BHED C=CCCCCN[C@H](C)Cc1cccs1 309020376 WQMRXLBZOSPBKX-GFCCVEGCSA-N 223.385 3.625 30 20 BHED C=CCCC1(C(=O)N[C@H](C)c2ccc(C)o2)CC1 354548522 MOBGKJHHHXSPEP-GFCCVEGCSA-N 247.338 3.512 30 20 BHED C=CCCCS[C@@H](C)c1ncc(C)o1 356080857 OMXGXJFIQJGYBW-JTQLQIEISA-N 211.330 3.743 30 20 BHED N#CCCCNC1c2ccccc2-c2ccccc21 357135365 HCHRTYQUMNZLKL-UHFFFAOYSA-N 248.329 3.650 30 20 BHED CC1(NCc2ccc(C#N)c(F)c2)CCCCC1 404091025 UFLQSXGYIOGARH-UHFFFAOYSA-N 246.329 3.510 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H](C)CC1 424808056 SWGOCNPVRGDDIH-CHWSQXEVSA-N 237.387 3.674 30 20 BHED CC[C@H](N[C@@H](C)CC1CC1)c1ccc(C#N)cc1 447535670 HQZHQKQIEUWRAX-LRDDRELGSA-N 242.366 3.788 30 20 BHED C=CCCCC[C@@H](C)NC[C@](C)(OC)C1CC1 449336044 LQONIMPHBRDIIE-HIFRSBDPSA-N 239.403 3.526 30 20 BHED C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@]1(CC)C(C)C 457268558 GQCFHGKTUAULRC-KCQAQPDRSA-N 237.387 3.530 30 20 BHED CC1(C)CCC(CN[C@H]2CCC[C@H](C#N)C2)CC1 463244294 GPDUEEXAZGSXSF-GJZGRUSLSA-N 248.414 3.875 30 20 BHED C=CC[C@@H](C)NCc1cc2c(C)c(C)ccc2[nH]1 472080454 PAVJTUBTPCKYMX-GFCCVEGCSA-N 242.366 3.839 30 20 BHED C=C(C)CSCCCCOC(C)(C)C 473786284 DBIZCOHQAKTWOX-UHFFFAOYSA-N 216.390 3.891 30 20 BHED C=CCC[C@@H](C)Nc1cnn([C@H](C)CC)c1C 477938618 CMNLNOLLYIVYOU-VXGBXAGGSA-N 235.375 3.929 30 20 BHED CCC[C@H](CN(C)C[C@@H](C)C#N)c1ccccc1 539409211 VVSYHUSKXGXVMD-GOEBONIOSA-N 244.382 3.662 30 20 BHED C=CCCCC[C@@H](C)N[C@H](C)CC(C)(C)OC 557384816 JALVWMKKCQFSOP-ZIAGYGMSSA-N 241.419 3.915 30 20 BHED CC(C)(C)CCCNC1CCC(C)(C#N)CC1 572571750 RSRHDLDJTYCMJE-UHFFFAOYSA-N 236.403 3.875 30 20 BHED CN(C[C@@H]1CC=CCC1)[C@H](C#N)c1ccccc1 595428256 WTMVGYACNYPGAW-GDBMZVCRSA-N 240.350 3.539 30 20 BHED C=C(C)CSC[C@@H](CC)CC(F)F 596348938 SBQPFIMXQQMMSI-VIFPVBQESA-N 208.317 3.977 30 20 BHED C[C@H](CCC#N)CN[C@@H]1CCCc2ccccc21 602502284 GHVGEJWQGUHCIO-CZUORRHYSA-N 242.366 3.593 30 20 BHED C=CCN(C(=O)C[C@@H](C)CCC)C(C)(C)C 622943545 GYGBGYXLLMGZPA-LBPRGKRZSA-N 225.376 3.626 30 20 BHED C=CC[C@H]1CCCC[C@H]1NCc1ccc(O)cc1 657865616 UYHKATJATPSFFB-GOEBONIOSA-N 245.366 3.617 30 20 BHED CCCCCCCC(C)=NNc1cccnn1 735975168 UHFDAPOFLNNZFM-UHFFFAOYSA-N 234.347 3.625 30 20 BHED C#CCCCN[C@H](C)c1csc2ccccc12 754744316 TZJBCYWXMBMGKB-GFCCVEGCSA-N 243.375 3.965 30 20 BHED CCCCCC[C@@H]1CCCC1=NNC1CC1 758134509 ZVPHVJMOILVAEH-GFCCVEGCSA-N 222.376 3.865 30 20 BHED C#CCCCNC1(c2cccc(C)c2)CCCC1 766916326 KGYGSCXKZQIBLP-UHFFFAOYSA-N 241.378 3.767 30 20 BHED N#C[C@@H](OC(=O)C=C1CCCC1)C1CCCCC1 776381177 QZDSQVLMRXVVHK-CQSZACIVSA-N 247.338 3.502 30 20 BHED Fc1cccc(F)c1NN=C1CCC12CCC2 799882452 RSVUUDBXBMXMMA-UHFFFAOYSA-N 236.265 3.697 30 20 BHED CC(=NOC/C=C/Cl)c1cccc(Cl)c1 811667654 ACQVWLDIRCFNSN-PSWGYPDDSA-N 244.121 3.833 30 20 BHED C=CCCCCC[C@@H](C)N[C@@H](CC)C(C)(C)O 815652290 WMDGMBAGBVUXBO-KGLIPLIRSA-N 241.419 3.651 30 20 BHED C=CC[C@H]1CCCN(C(=O)[C@@H](CC)CCC)C1 824437895 DRSSHCQJSXRCTF-KBPBESRZSA-N 237.387 3.627 30 20 BHED c1ccc(NN=C2CCCC23CCCCC3)nc1 834926024 UXPNLBZHGKVXRB-UHFFFAOYSA-N 243.354 3.984 30 20 BHED CC[C@H](NC1CCCC1)c1cccc(C#N)c1 902720568 LSJGMFYXWYKVMI-HNNXBMFYSA-N 228.339 3.542 30 20 BHED C[C@@H](C/N=C\c1ccccc1O)c1ccccc1 920943917 DZUFFXWXZUYUDK-IGWPVBGESA-N 239.318 3.615 30 20 BHED C#C[C@H](CCC)NC(=O)[C@H](C)CC1CCCCC1 1343566181 GJFHLAYMIRLYKH-UKRRQHHQSA-N 249.398 3.511 30 20 BHED C=C(CC)C(=O)Nc1cc(Cl)ccc1C 1348424455 MKUPLRJVURKKML-UHFFFAOYSA-N 223.703 3.553 30 20 BHED CCC[C@@H](CC)Sc1ncc(C#N)cc1F 1642661468 UWIQSWJCMXJRLL-SNVBAGLBSA-N 238.331 3.763 30 20 BHED CC(C)C[C@]1(C)CCCN1CC1(CC#N)CC1 1654517329 FVIWTJYETVWQJN-AWEZNQCLSA-N 234.387 3.581 30 20 BHED Cc1ccc(F)c(NCc2ccc(C#N)cc2)c1 20361446 KISUDDDAIMFCSK-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CC(C)c1cccc(Nc2ccc(C#N)cn2)c1 20368551 OCLYSCSBXPMDNX-UHFFFAOYSA-N 237.306 3.820 30 20 BHED CCCNc1nc(-c2cccc(C#N)c2)cs1 70092468 GJWIKUFEWLUZTL-UHFFFAOYSA-N 243.335 3.504 30 20 BHED C=CCCNc1cccc2c1CCCC2 70591282 SJUIUSWAHCTEKU-UHFFFAOYSA-N 201.313 3.553 30 20 BHED C=CCCCNc1ccccc1Br 70591382 IZXRSCAMBYAIMQ-UHFFFAOYSA-N 240.144 3.827 30 20 BHED C=C(C)CN[C@H](C)c1ccccc1C(F)(F)F 128503638 QZDRCWFCCAYZFR-SNVBAGLBSA-N 243.272 3.932 30 20 BHED C=CCC[C@@H](C)NCCc1ccc(F)cc1C 130580872 ZNROEXVMNVLCFF-CYBMUJFWSA-N 235.346 3.621 30 20 BHED C#CCCCCNC[C@H]1CCC[C@H](CC)C1 134858955 VAXGHAXYRPNFER-GJZGRUSLSA-N 221.388 3.596 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccccc1Cl 136203207 WWRIRBHENZTRFH-UWVGGRQHSA-N 209.720 3.565 30 20 BHED CC#CCSCc1csc(-c2ccco2)n1 166599276 ADYYYZDJIZGABM-UHFFFAOYSA-N 249.360 3.660 30 20 BHED CCN(CCCC(C)(C)C#N)[C@H](C)C(C)C 174863774 USZZIXFEMQVHAM-CYBMUJFWSA-N 224.392 3.683 30 20 BHED Cc1cccc(NCc2cccc(C#N)c2F)c1 223729475 AVYXOQVFLYRGPK-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=C(CC)COc1cnc2ccccc2c1 228035138 IRNLBQJOMKPARI-UHFFFAOYSA-N 213.280 3.580 30 20 BHED CCC(C)(C)CNc1cccc(F)c1C#N 233031109 CLUSKLFYUBYPRQ-UHFFFAOYSA-N 220.291 3.545 30 20 BHED C=CC[C@@H](CC)NCc1ccc(C)c(F)c1 309409043 BKLHJIOCPQMFIY-CYBMUJFWSA-N 221.319 3.578 30 20 BHED CC(C)CCN(CCC#N)CCC(C)(C)C 341887176 YBRYCOOFVBDGSS-UHFFFAOYSA-N 224.392 3.684 30 20 BHED C=CC[C@@H](C)N[C@@H](CC)c1ccc(F)cc1F 358048740 QBXWUDRRGOZYIY-YGRLFVJLSA-N 239.309 3.970 30 20 BHED C=CCCCCN[C@@H](C)Cc1cccc(F)c1 383349529 NYCJTQQYLWTDLP-ZDUSSCGKSA-N 235.346 3.703 30 20 BHED CC(C)CC[C@@H]1CCC[C@H]1N[C@H](C)CCC#N 411617592 UHEBDFBDZMOGID-QLFBSQMISA-N 236.403 3.873 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)C1CCCCCC1 425423942 MQNFAVJSUNFKLN-UHFFFAOYSA-N 237.387 3.770 30 20 BHED C=CCN(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 441346227 NDBUALLEAFXGKJ-HZPDHXFCSA-N 229.367 3.749 30 20 BHED C=CCN(CCC1CC1)CC1CCCCC1 441392159 IKLWQRCJRLDJOH-UHFFFAOYSA-N 221.388 3.855 30 20 BHED C=CCCCN1[C@H]2CCCC[C@@H]2C[C@H]1C 441472946 YJTJTKJKPHSZGX-MCIONIFRSA-N 207.361 3.606 30 20 BHED C=CCCCCCOc1ccc2nccnc2c1 447318911 MSIIMXPRUNBVNJ-UHFFFAOYSA-N 242.322 3.755 30 20 BHED C=CCCCCCN(C)C(=O)C[C@@H]1CC[C@H]2C[C@H]12 449915835 POMKWITWKBVWFP-KKUMJFAQSA-N 249.398 3.627 30 20 BHED CC#CCCN1CCC[C@@H]1c1ccc(C)cc1 462315844 RFXSTBBDYJIQQG-MRXNPFEDSA-N 227.351 3.545 30 20 BHED CC#CCCN1CCC[C@H]1c1ccc(Cl)cc1 462318090 VODXAMVYXCLOCX-HNNXBMFYSA-N 247.769 3.890 30 20 BHED C=C(C)CNC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 490026428 NWFLPVTZCUCXCD-CHWSQXEVSA-N 237.387 3.531 30 20 BHED C=C(CC)CN1C[C@H](C)[C@@H]1c1ccccc1 538002538 OIXNDPMQCWNMRS-DZGCQCFKSA-N 215.340 3.646 30 20 BHED C=CCC[C@H](C)N[C@@H]1c2ccc(F)cc2O[C@@H]1C 562056154 CICLRKRKQRHVES-RWSFTLGLSA-N 249.329 3.592 30 20 BHED N#Cc1ccc(S[C@H]2C=CCCC2)cc1 609407015 VXCCMASVHVCFOH-LBPRGKRZSA-N 215.321 3.759 30 20 BHED C=CCCC(C)(C)NC(=O)C1CCCCCC1 620861493 SEQAGAUIAIXRKF-UHFFFAOYSA-N 237.387 3.818 30 20 BHED N#Cc1cccc(S[C@@H]2CCCCCC2=O)c1 675210459 IUYKALWZDMXZOY-CQSZACIVSA-N 245.347 3.552 30 20 BHED C=C[C@@H](CC(=O)N[C@@H](C)CCC)c1ccccc1 677508332 JZDDTKPIOKWSPG-KBPBESRZSA-N 245.366 3.651 30 20 BHED C=CC[C@@H](CC)NC(=O)c1cc2occc2s1 684938625 DZXRDTYAWFEHCF-SECBINFHSA-N 249.335 3.579 30 20 BHED C=CC[C@@H]1CCCC[C@H]1NCCCC(F)F 688711943 IYXLUOAUHCYAFI-VXGBXAGGSA-N 231.330 3.756 30 20 BHED C=CCCC(=O)O[C@@H](C)c1cc(F)ccc1F 726654086 KCLWYGMAAYILON-VIFPVBQESA-N 240.249 3.535 30 20 BHED CC(C)=CCCC(C)=NNC1CCCC1 749157975 MPSYFQJDXXTDHX-UHFFFAOYSA-N 208.349 3.641 30 20 BHED C#CC[C@H](NCc1cccs1)c1ccccc1 756996837 SEAPBLBPFOJUBU-HNNXBMFYSA-N 241.359 3.602 30 20 BHED CC(=NNC1CC1)c1ccc(SC(C)C)cc1 758132710 KLVXEVZBBHYCMY-UHFFFAOYSA-N 248.395 3.663 30 20 BHED CCCn1cccc1C=NOC1CCCCC1 777459251 NPOIWJAMKWGSTG-UHFFFAOYSA-N 234.343 3.581 30 20 BHED CC(=NNc1cccc(F)c1)c1cc(C)c(C)o1 799876763 ACGDXMATCLNAND-UHFFFAOYSA-N 246.285 3.872 30 20 BHED C[C@@H](C#N)OCCSCCCC1CCCC1 802752874 VOEQWUBNUFOWKA-LBPRGKRZSA-N 241.400 3.619 30 20 BHED C#C[C@@H](NC(=O)C1(C)CCCCCC1)C(C)(C)C 807880237 FQEVOBXHDBVCIK-CYBMUJFWSA-N 249.398 3.511 30 20 BHED CSCCCC=NNc1ccccc1Cl 814690913 DXEWLRBORQDCKN-UHFFFAOYSA-N 242.775 3.881 30 20 BHED N#C[C@H]1CCC[C@H](OC(=O)C2CCCCCC2)C1 839049133 HOJYAFPYHWPGEU-JSGCOSHPSA-N 249.354 3.582 30 20 BHED CCCCNN=Cc1ccccc1C(C)C 848402491 BFFXNUOMZSKBQE-UHFFFAOYSA-N 218.344 3.534 30 20 BHED C=CC[C@@H]1CCCCC1=NNc1ccc(F)cn1 853305042 MBOUKUBBLXYPDL-LLVKDONJSA-N 247.317 3.755 30 20 BHED Cc1ccc(F)cc1NN=C1CCC12CCC2 853394107 YALNFGQOJKVZKU-UHFFFAOYSA-N 232.302 3.866 30 20 BHED C=CCCC(C)(C)NC(=O)/C=C1/CC[C@@H](C)C1 856373886 CVQKKNBYTLAKPV-NPRUJURCSA-N 235.371 3.594 30 20 BHED C=C(C)COC(=O)c1ccc(C(C)C)cc1 916617133 YBKKUWXTCKDUQA-UHFFFAOYSA-N 218.296 3.543 30 20 BHED C=C(Cl)CN1CC[C@H](C)[C@H]2CCCC[C@H]21 917052961 GKTMUVJPFOGWHB-CYZMBNFOSA-N 227.779 3.640 30 20 BHED CCC[C@H](C)[C@H]1CCCN1C[C@H](C)CCC#N 1204675099 ZEFIMCVZQMXRDB-QLFBSQMISA-N 236.403 3.827 30 20 BHED Cc1cc(Oc2ccc(Cl)cc2)ncc1C#N 1306915872 OSPOTKDSVKNDJJ-UHFFFAOYSA-N 244.681 3.707 30 20 BHED C=CCCCc1nnc(-c2ccc(CC)cc2)o1 1333076872 OMYQVQRHHZAYCI-UHFFFAOYSA-N 242.322 3.808 30 20 BHED C=C(C)CN1CCC[C@H](Cc2ccc(C)cc2)C1 65261067 NAJDKGPUBIAWBA-QGZVFWFLSA-N 243.394 3.826 30 20 BHED Cc1cccc(CN(C)CCCC(C)(C)C#N)c1 87608520 AQVBPKIMMVPACS-UHFFFAOYSA-N 244.382 3.757 30 20 BHED CCC[C@@H](C)N[C@@H](CCC#N)c1ccccc1 90664907 PJDVRFBDQLZLFZ-HIFRSBDPSA-N 230.355 3.810 30 20 BHED C=CCC[C@@H](C)NCc1cccc(Cl)c1 96034251 ROFZWEGJZJFDPZ-LLVKDONJSA-N 223.747 3.784 30 20 BHED CCC[C@@H](C)[C@H]1CCCN1CCCCC#N 135327691 BFFOTEPVTHOFQB-ZIAGYGMSSA-N 222.376 3.581 30 20 BHED CCCCCCCNC(C)(C)c1nccs1 173416480 KYFWFLIOGVTLJD-UHFFFAOYSA-N 240.416 3.938 30 20 BHED C=CCCCNC(C)(C)c1nc(C)c(C)s1 173959962 HYUJUXHDUHPZSY-UHFFFAOYSA-N 238.400 3.551 30 20 BHED C#CCCCCNCc1ccc(C(C)C)cc1 229742819 MGINYDHZMQKHNT-UHFFFAOYSA-N 229.367 3.703 30 20 BHED C=C[C@H](C)N[C@@H](C)c1csc(Cl)c1 230410452 RLOHSAIWFPTXTO-YUMQZZPRSA-N 215.749 3.627 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc(N(C)CC)cc1 246428240 NREDNYFDFXSSPI-ZIAGYGMSSA-N 246.398 3.758 30 20 BHED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C1CCCCC1 248863438 PWYOCNNMPFSNNQ-GZBFAFLISA-N 234.387 3.627 30 20 BHED CC1(C)CC[C@H]1N[C@@H](CCC#N)c1ccccc1 284479919 USZFXXDOUVIHPR-LSDHHAIUSA-N 242.366 3.810 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1ccco1 293876226 ZYXWWFCFFFHLHS-LLVKDONJSA-N 207.317 3.533 30 20 BHED N#Cc1ccc(OCC2CCCCCC2)cc1 302473911 XTROPYBPMYJGFI-UHFFFAOYSA-N 229.323 3.907 30 20 BHED C=CCCNc1cc(C)c(OC)cc1Cl 309074014 IFAKJNDWFDRTGQ-UHFFFAOYSA-N 225.719 3.645 30 20 BHED C=C(C)CNc1cc(F)c(SC)c(F)c1 309080820 PGDLVZOCVLSCRY-UHFFFAOYSA-N 229.295 3.675 30 20 BHED CC[C@H](CC#N)N[C@H]1CCCCC12CCCC2 310235121 ICBHSDMZVKMRKT-KGLIPLIRSA-N 234.387 3.771 30 20 BHED CCN(Cc1cc(F)ccc1C#N)CC(C)(C)C 311106985 DKIAFTQQFSQUFQ-UHFFFAOYSA-N 248.345 3.565 30 20 BHED CC(C)CN(CCC#N)C[C@H]1CCC[C@@H](C)C1 383432174 BZVINAYVOUXNHU-CABCVRRESA-N 236.403 3.684 30 20 BHED C=CCCC(=O)N[C@@H](C)c1ccc(C2CC2)cc1 416053340 DAHLMXDVEINKAD-LBPRGKRZSA-N 243.350 3.707 30 20 BHED C[C@@H](c1cccc(C#N)c1)N(C)[C@@H]1C=CCCC1 425530048 DETYLLHFGJXFMW-XJKSGUPXSA-N 240.350 3.660 30 20 BHED C=C[C@H]1CCCCN1Cc1cccc2[nH]ccc12 426564907 JIUZSFOGDVHHHU-AWEZNQCLSA-N 240.350 3.708 30 20 BHED CC(C)CCCN(CCC#N)CCC(C)C 429044610 INBQJQBNHNOFTG-UHFFFAOYSA-N 224.392 3.684 30 20 BHED C=CCCCCCN(C)c1ncc(C)s1 436416022 XRLYVCNWGTUOAL-UHFFFAOYSA-N 224.373 3.634 30 20 BHED C=CCC[C@H](CC)Nc1cccc(CC#N)c1 449705620 YLKARWQNIZNUJH-AWEZNQCLSA-N 228.339 3.909 30 20 BHED CC#CCCN(C)[C@H](C)c1cc(C)ccc1C 462316714 RTEJUCOKXFNRAZ-OAHLLOKOSA-N 229.367 3.710 30 20 BHED C=CCCC(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 469751699 KCSYYHTUZTYPRE-ZIAGYGMSSA-N 237.387 3.674 30 20 BHED C=CCCCCNC(=O)CC1CCC(C)CC1 471675041 ZQVUCKOXITWLMN-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCOCCCSCCCC(C)C 475879471 IOGDEGHVYYHHPK-UHFFFAOYSA-N 216.390 3.749 30 20 BHED N#Cc1cccnc1/C=C\c1cccc(Cl)c1 486098844 ARDYOTUZZAVDPR-SREVYHEPSA-N 240.693 3.777 30 20 BHED C=C(C)CN1CC=C(c2cccc(C)c2)CC1 538945953 QEEMUTDCSMEXBW-UHFFFAOYSA-N 227.351 3.660 30 20 BHED CCCc1ccc([C@@H](NCCC#N)C(C)C)cc1 560832961 MZGBEHNTCJEGHC-INIZCTEOSA-N 244.382 3.839 30 20 BHED C=CCC(CC=C)C(=O)N(C)[C@@H](C)CCCC 570868433 ZTUFPEQRMZAYAJ-ZDUSSCGKSA-N 237.387 3.792 30 20 BHED CC(C)CCC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 576601845 QFGQWIHHRHZCEX-CVEARBPZSA-N 248.414 3.827 30 20 BHED CC1(C#N)CCN(CCC2CCCCCC2)CC1 583661079 YWRJIPWPPLFEAS-UHFFFAOYSA-N 248.414 3.973 30 20 BHED Cc1cccc(NC(=O)CCCCCC#N)c1F 588163225 GPYUHDQNWGVDAD-UHFFFAOYSA-N 248.301 3.547 30 20 BHED C=CCCN(CC)c1cc(C)cc(C)c1 606897086 QIHQRTCDJPVNAS-UHFFFAOYSA-N 203.329 3.706 30 20 BHED C[C@@]1(c2ccccc2)C[C@H]1Nc1ccc(C#N)cc1 610280490 SPPISCHOVKYVRI-SJORKVTESA-N 248.329 3.700 30 20 BHED C=CCCCCCN(C)Cc1cc(C2CC2)no1 659945334 AAHIVWLKVCCTNS-UHFFFAOYSA-N 248.370 3.730 30 20 BHED C=CCCC(=NOCc1ccccc1)C1CC1 747751779 QPLUBGIJCCFUKF-UHFFFAOYSA-N 229.323 3.935 30 20 BHED C#CC[C@@H](NCc1cccc(C)c1)c1ccccc1 756995861 KPRNMOZDVCLMCY-GOSISDBHSA-N 249.357 3.849 30 20 BHED C=C[C@H](CC(=O)OCC(C)C)c1ccccc1 758910442 YAZYRKVYCIUYCK-CYBMUJFWSA-N 232.323 3.546 30 20 BHED CCCCCCCSC[C@H]1CCCO1 764639096 CWQUCQBXRNEHHW-GFCCVEGCSA-N 216.390 3.869 30 20 BHED CON=C1CCC[C@H]1c1ccc(OC(C)C)cc1 776764577 RQODUPZYFAQEBR-AWEZNQCLSA-N 247.338 3.744 30 20 BHED C#CCCCCCC(=O)N1CCC(CC)(CC)C1 779930277 OAFOKKRUJSPSLI-UHFFFAOYSA-N 249.398 3.609 30 20 BHED CC(C)C(C=NNc1ccc(C#N)cc1)C(C)C 788991597 OKIKVZOXHIPVRD-UHFFFAOYSA-N 243.354 3.884 30 20 BHED C=CCCC(=NOC[C@@H](C)CC)C1CC1 793163434 KKXXKPDZSIXIPX-NSHDSACASA-N 209.333 3.781 30 20 BHED CC[C@@H]1CC[C@H](C)CC1=NNc1ccnc(F)c1 797403242 FGCHKSKCNVSIFK-WDEREUQCSA-N 249.333 3.835 30 20 BHED C[C@@H]1C[C@@H]1c1ccc(C=NNCC2CCCC2)o1 808006291 QGJSHYXAHAXKIP-RISCZKNCSA-N 246.354 3.517 30 20 BHED CCC(Cc1cccs1)=NOC/C=C\Cl 811669730 ILJKVKJUGIGTHN-PYBNSILRSA-N 243.759 3.826 30 20 BHED CCCCO[C@H]1CC(=NOC2CCC2)C1(C)C 812234903 BIEXDEQOZZLDPW-ZDUSSCGKSA-N 239.359 3.527 30 20 BHED CSc1ccc(C=NNc2ccccc2)s1 814684062 BVWHWTBXTASOPE-UHFFFAOYSA-N 248.376 3.916 30 20 BHED C=CCC(C)(C)CNC(=O)/C(C)=C\C(C)(C)C 817456786 FJQAHEZVAQGVAB-BENRWUELSA-N 237.387 3.697 30 20 BHED CC[C@H](C)CSc1nc(C#N)c(Cl)s1 853441475 YFZXKZTZZDRBIV-LURJTMIESA-N 246.788 3.806 30 20 BHED CC(C)=CCC[C@@H](C)CC=NNc1cnccn1 912962420 VXCURXOREGNZRV-CYBMUJFWSA-N 246.358 3.647 30 20 BHED CC(=NNc1cccc(F)c1)c1ccccc1C 920383660 IIRHRUQALZRQQO-UHFFFAOYSA-N 242.297 3.970 30 20 BHED C=CCCCCCCN[C@@H](C)c1ccnc(O)c1 926422990 LVTLEAARHSBVSZ-ZDUSSCGKSA-N 248.370 3.574 30 20 BHED C[C@H]1CCCC[C@@H]1COc1ccc(C#N)c(F)c1 1188789814 YBNUIQVLKMLNBH-WCQYABFASA-N 247.313 3.902 30 20 BHED CC(C)(C)ON=C1CCC[C@@H](c2cccnc2)C1 1327047766 YWVFKFCZRVQRNF-GFCCVEGCSA-N 246.354 3.910 30 20 BHED CC1(C)CCN(CCC2(C#N)CCCCC2)CC1 1652420417 IGQBVLKPXWZMNH-UHFFFAOYSA-N 248.414 3.973 30 20 BHED Cc1cc(CSc2cccc(C#N)c2)ccn1 1652688994 OBVKSAZLUJSHLO-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C[C@H]1CC(C)(C)CN1CCC1(C#N)CCCCC1 1653909930 OUOIIAHTRALFDI-AWEZNQCLSA-N 248.414 3.971 30 20 BHED N#Cc1cc(F)ccc1NC1CCCCCC1 71536047 DASKLOZUKZAAAX-UHFFFAOYSA-N 232.302 3.832 30 20 BHED C=C(Cl)CN[C@@H](C)C(C)(C)c1ccccc1 129768456 DEAREFMMIHEKGT-LBPRGKRZSA-N 237.774 3.695 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 136203346 YADPAERBUIEPSA-UWVGGRQHSA-N 209.720 3.565 30 20 BHED C#CCCCCNC(=O)[C@@H](C)CCCCCC 156304881 FQMIOSHXJWTIST-AWEZNQCLSA-N 237.387 3.513 30 20 BHED C=CCCNc1ccccc1SCCC#N 157181490 USBCDCCRJNOYLU-UHFFFAOYSA-N 232.352 3.680 30 20 BHED C=CCCCC(=O)N[C@@H](C)c1cccc(C)c1C 175689049 AZKMAHQZSGMSLI-AWEZNQCLSA-N 245.366 3.837 30 20 BHED C=C[C@](C)(CC)C(=O)N1CCC[C@H](CC)CC1 188425719 TYYHCLAKUNDUGD-DZGCQCFKSA-N 237.387 3.627 30 20 BHED C=CCC[C@H](NCC1(SC)CCC1)C1CC1 193807442 JJWCOXTYZKQQQK-ZDUSSCGKSA-N 239.428 3.607 30 20 BHED CC[C@H](CC#N)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 251333114 IWXISXPBWQFNKF-KBUPBQIOSA-N 234.387 3.627 30 20 BHED C[C@H]1C[C@@H](C)C[C@H](NCC(C)(C)CCC#N)C1 253035068 WCQZCYRPZDGJKJ-WDNDVIMCSA-N 236.403 3.731 30 20 BHED C(=NNc1ccncc1)c1cccc2ccccc12 254514054 QAQMWNUVIGEHRW-UHFFFAOYSA-N 247.301 3.681 30 20 BHED N#Cc1csc(/C=C\C(=O)c2ccsc2)c1 255303235 VDSLZCVQCIAWMA-UPHRSURJSA-N 245.328 3.577 30 20 BHED C=C(C)CCc1noc([C@@H]2CCCCS2)n1 285179515 QZODUTRGEJFRSR-JTQLQIEISA-N 238.356 3.537 30 20 BHED C=CCCC[C@H](C)Nc1ncnc2sccc12 302004966 UCZIGUVAIYQAMR-JTQLQIEISA-N 247.367 3.848 30 20 BHED C[C@@H]1CCCC[C@]1(C)NCc1cccc(C#N)c1 308714741 NXJFJKBWAMSZBS-CJNGLKHVSA-N 242.366 3.617 30 20 BHED C=CC[C@H](CC)NC1CCC(C)(C)CC1 309172611 LSOAWDAFSZPHEE-LBPRGKRZSA-N 209.377 3.900 30 20 BHED C[C@H](S[C@H](C)C#N)c1ccc(F)cc1 335955283 HFBNDXOAXDDPRI-BDAKNGLRSA-N 209.289 3.532 30 20 BHED CC(C)(CCC#N)CN[C@@H]1CC[C@@H]2CCC[C@H]2C1 344347949 HVYFLCXFVZHIQE-SOUVJXGZSA-N 248.414 3.875 30 20 BHED CC[C@](C)(C#N)c1nc([C@H]2CCC[C@H](C)C2)no1 346253052 MTLKADHBJLJOSS-COPLHBTASA-N 247.342 3.555 30 20 BHED C[C@H]1CCN(CC(C)(C)CCC#N)CC1(C)C 355508430 KQRSFNQIECCIQK-ZDUSSCGKSA-N 236.403 3.684 30 20 BHED CCCCCCCC(=O)N1C[C@H]2CCCC[C@H]21 368626482 DLRBRPNCDRVETA-ZIAGYGMSSA-N 237.387 3.748 30 20 BHED C=CCC[C@@H](N[C@H]1CCC1(C)C)C1CC1 380117012 PRQYZJXCHXHSKY-OLZOCXBDSA-N 207.361 3.509 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccc(F)c(F)c1 393759503 VMCNGKWZPGKGMP-PWSUYJOCSA-N 239.309 3.970 30 20 BHED CC(C)C[C@H]1CCCN1Cc1cccc(C#N)c1 396932640 YVUDAOOUNBJNFT-MRXNPFEDSA-N 242.366 3.569 30 20 BHED CC1(C)CCC(CN2CCC[C@H](CC#N)C2)CC1 397649760 LOWKXWMRCROHDC-CQSZACIVSA-N 248.414 3.828 30 20 BHED C[C@H](CN1CCC[C@H](CC#N)C1)C1CCCCC1 397697615 ZNMANZWDUBTISB-HUUCEWRRSA-N 248.414 3.828 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@@H]1CCCC(C)(C)C1 410120715 HOGLSEBYYCVEMQ-CHWSQXEVSA-N 237.387 3.674 30 20 BHED C[C@H](CCC#N)N[C@H](C)[C@H](C)C1CCCCC1 411512035 ADXOTZJJCRRNGV-HZSPNIEDSA-N 236.403 3.873 30 20 BHED C=CCN(CCC#N)C[C@H](CC)CCCC 428834379 MNIHGYUAJRPQRT-CQSZACIVSA-N 222.376 3.604 30 20 BHED CC(F)(F)CCOc1ccc(C#N)c(Cl)c1 450914378 XCGQQZZYLCAJGH-UHFFFAOYSA-N 245.656 3.636 30 20 BHED C=CCC(C)(C)C(=O)N[C@H]1C[C@@]1(CC)C(C)C 457244475 UMZUZFKOIVQKPQ-WFASDCNBSA-N 237.387 3.530 30 20 BHED CC(C)[C@@H]1CCC[C@H](N[C@H]2CC[C@@H](C#N)C2)CC1 471597527 FJWJPICYSOWFDW-WCVJEAGWSA-N 248.414 3.873 30 20 BHED C=C(C)COc1ccc(-c2ccccc2)nc1 537556918 BBLJEYFXCYNGBG-UHFFFAOYSA-N 225.291 3.704 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@@H]1CCC(C)(C)C1 543796816 PEXZHQYHVOOZMU-CHWSQXEVSA-N 237.387 3.674 30 20 BHED C=CCCCCN[C@@H](CC)c1nccs1 568183656 IRXVWKJPBYUOLB-NSHDSACASA-N 224.373 3.540 30 20 BHED C[C@@H](CCC#N)CNc1cc(F)cc(Cl)c1 602491231 ZNRGGYPXZQHXCW-VIFPVBQESA-N 240.709 3.831 30 20 BHED C=CCC[C@@H](NCCc1ccoc1)c1ccco1 658200325 MZKFTQDVYCAAGP-CQSZACIVSA-N 245.322 3.712 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)C[C@H]1CCOC1 678698655 ZBKIPRXRFLKKSL-RRFJBIMHSA-N 239.403 3.526 30 20 BHED CCON=C1CC2(CCCC2)Oc2ccccc21 749810402 ULKJKILAWQTIHZ-UHFFFAOYSA-N 245.322 3.523 30 20 BHED C#CCCCN(C)[C@@H](c1ccccc1)C(C)C 766902054 VTRAHYDQGGNDOX-MRXNPFEDSA-N 229.367 3.729 30 20 BHED CC[C@@H]1CCCCC1=NOCCC(F)(F)F 777456194 SFUCAXNQQDCRSV-SECBINFHSA-N 237.265 3.912 30 20 BHED CC1(C)CCCC(=NOCCC(F)(F)F)C1 777458505 BRPIFZPCTSFPMI-UHFFFAOYSA-N 237.265 3.912 30 20 BHED FC(F)(F)CCON=C1CCC2(CC1)CC2 792641871 JUNDDKWVCFOVOF-UHFFFAOYSA-N 235.249 3.666 30 20 BHED CC[C@H](C)CON=Cc1nccc2ccccc12 793163591 LTZANBKXSMCTGZ-LBPRGKRZSA-N 242.322 3.631 30 20 BHED C=CCCC(=NNc1cccc(Cl)n1)C1CC1 793181598 UWBYSRMFCQJWEY-UHFFFAOYSA-N 249.745 3.879 30 20 BHED CC(COC(C)C)=NNc1ccccc1Cl 799864192 KQMWEOAVSAHQGO-UHFFFAOYSA-N 240.734 3.553 30 20 BHED CCC(=NOC/C=C/Cl)c1cccc(F)c1 811670235 ZZUWPEAGEXVXHS-UXRYSFGWSA-N 241.693 3.709 30 20 BHED C[C@H](C=NOC/C=C\Cl)c1ccc(F)cc1 811671623 HXPQGPOQGNUDHH-XQUGZSBJSA-N 241.693 3.684 30 20 BHED C=CCC(F)(F)c1nc([C@H](C)CCC)no1 815671405 FGUSWPCODDZCRN-MRVPVSSYSA-N 230.258 3.641 30 20 BHED C=CCC1(CNCc2ccccc2O)CCCC1 825079448 ULRPLTQITIXOJD-UHFFFAOYSA-N 245.366 3.618 30 20 BHED C=CCCCCCCNC(=O)C[C@@H]1CC[C@H]2C[C@H]12 831993947 YHXNNBHSWIGZAL-KKUMJFAQSA-N 249.398 3.675 30 20 BHED C=C(CC)CNC(=S)Nc1cccc(C)c1C 840826978 YUZKJKACWZYHMQ-UHFFFAOYSA-N 248.395 3.556 30 20 BHED Cc1ccc(F)cc1NN=C[C@H]1CC=CCC1 853393352 CTHHDHGLKCPQOK-LBPRGKRZSA-N 232.302 3.888 30 20 BHED C=CC(C)(C)CC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 879436544 RWPDBWQVSKUKLI-MELADBBJSA-N 249.398 3.626 30 20 BHED Cc1cc(C)nc(CSCC2(C#N)CCC2)c1 901795513 DXVPWLJKEJXRJT-UHFFFAOYSA-N 246.379 3.626 30 20 BHED C=C[C@H](CC)Cc1nc([C@@H](C)c2ccco2)no1 904111326 SWNZIASIKITQEB-WDEREUQCSA-N 246.310 3.569 30 20 BHED C=CCN(CCOc1cc(C)ccc1C)C(C)C 917069632 SNQQTVYMAIVXQQ-UHFFFAOYSA-N 247.382 3.579 30 20 BHED Cc1ccc(F)cc1OCc1ccc(C#N)s1 1189737224 DOSJPCHMGDHUIU-UHFFFAOYSA-N 247.294 3.646 30 20 BHED CC(=NOC(C)(C)C)c1ccc(F)cc1C 1319684550 HATPZPIJELYORV-UHFFFAOYSA-N 223.291 3.673 30 20 BHED C=C(CC)C(=O)N1CCC[C@H]1c1ccc(C)cc1 1350873126 NYZCRDYFCLFVJS-HNNXBMFYSA-N 243.350 3.625 30 20 BHED CC[C@@H](C)CSCc1ccc(C#N)s1 1643785680 XWAHKWRDKLCALU-SECBINFHSA-N 225.382 3.899 30 20 BHED CC(C)CCC[C@H](C)Nc1cc(C#N)ccn1 49146518 JODWULUYJRZAQM-LBPRGKRZSA-N 231.343 3.580 30 20 BHED N#Cc1c(F)cccc1Sc1ccc(F)cc1 57652336 MZKFWWYUQSXAMR-UHFFFAOYSA-N 247.269 3.988 30 20 BHED N#Cc1c(F)cccc1Oc1ccc(F)c(F)c1 60355754 VDVWMMZGXASBMG-UHFFFAOYSA-N 249.191 3.768 30 20 BHED Cc1ccc(C(=O)/C=C\c2cccs2)o1 98054042 QPXDKTVOMRXGRK-WAYWQWQTSA-N 218.277 3.546 30 20 BHED C#CCCCCC(=O)N(CC)[C@H]1CCCC[C@H]1C 120079566 CHZSCFXOCSVFPT-CABCVRRESA-N 249.398 3.607 30 20 BHED C#CCCCCC(=O)O[C@@H](C)c1ccccc1F 120357099 PNKYTOAAOJJOED-LBPRGKRZSA-N 248.297 3.624 30 20 BHED C=CC[C@@H](C)N[C@H]1CCSc2ccccc21 161639734 GUVFHDFTFLDOFH-YPMHNXCESA-N 233.380 3.778 30 20 BHED C[C@@H]1CCC[C@@H](CNCc2cc(C#N)cs2)C1 177689768 SIWZREBZBRHLFI-VXGBXAGGSA-N 248.395 3.536 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1ccccc1O 179894084 IFDLUGFHPOPRTD-OLZOCXBDSA-N 233.355 3.788 30 20 BHED Cc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)c(F)c1 185732639 BWOXIGBTQWWLLY-VXGBXAGGSA-N 232.302 3.628 30 20 BHED C=CCCCC(=O)N1CCC(C)(C(C)C)CC1 190329437 SSXYPEDUTQIYRL-UHFFFAOYSA-N 237.387 3.627 30 20 BHED Cc1ccc(O)c(C(=O)/C=C\c2cccs2)c1 205112917 VCFJMEXLIHFQRQ-ALCCZGGFSA-N 244.315 3.658 30 20 BHED CCC1(CN[C@H](C)c2ccc(C#N)c(F)c2)CC1 271982209 XGNRKCXNBHXPEJ-LLVKDONJSA-N 246.329 3.538 30 20 BHED CC[C@H](C#N)Sc1ccc(F)c(Cl)c1 275559589 FMMOFHLHAYHHIU-SSDOTTSWSA-N 229.707 3.873 30 20 BHED CC(C)[C@H](NCCC#N)c1ccc(Cl)cc1 298076172 DXRNCYIDKOJIRU-ZDUSSCGKSA-N 236.746 3.540 30 20 BHED C=CCCCCNc1ncccc1C(F)(F)F 302298636 YFHRAINWHRPEAR-UHFFFAOYSA-N 244.260 3.869 30 20 BHED C[C@H]1CCC[C@H](CN(CC#N)C2CCCC2)C1 310149434 OPKXZHIZRACFCO-KBPBESRZSA-N 234.387 3.581 30 20 BHED Cc1cccc(CSc2ccc(C#N)cc2)n1 336349249 FZWDXPBJTQBDCO-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=CCCN(C)Cc1c(C)oc2ccccc12 343443789 OHGSPNGOYXFSGC-UHFFFAOYSA-N 229.323 3.749 30 20 BHED Cc1ccc(CSCC2(C#N)CC2)cc1C 349162470 WSRWQWWRBISEFY-UHFFFAOYSA-N 231.364 3.840 30 20 BHED C=C(C)CCN[C@@H](C)[C@@H](C)c1ccccc1 381492052 YJAREURRJIWTPO-KGLIPLIRSA-N 217.356 3.734 30 20 BHED C=CCN[C@@H](c1ccc(Cl)cc1)C1CCC1 381498207 BSNOKPPMTOCIPO-CQSZACIVSA-N 235.758 3.957 30 20 BHED C=C[C@@H](C)N[C@@H]1CCCc2ccc(Cl)cc21 390415227 GWFRNPFDVKYOHJ-QMTHXVAHSA-N 235.758 3.882 30 20 BHED C=CCCCC[C@H](C)NC[C@H]1CC12CC2 417345299 XNRXVXCEXDUDGL-QWHCGFSZSA-N 207.361 3.511 30 20 BHED C=CCCCC[C@@H](C)N[C@H]1CCCc2c[nH]nc21 449197337 ZBCLCHFGQQJGDY-OCCSQVGLSA-N 247.386 3.512 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 451243978 DGZWAWXQJNSUAI-KBUPBQIOSA-N 249.398 3.626 30 20 BHED C=C(C)CCNc1cnn(CCC)c1C1CC1 453156646 XKZHHUYVOJWJFR-UHFFFAOYSA-N 233.359 3.549 30 20 BHED C=C1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 467193586 ZTDQOMUVPNYJSU-OAHLLOKOSA-N 249.398 3.520 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ncccc1CC 467414952 XGGVMJWBNLDZNE-OCCSQVGLSA-N 232.371 3.649 30 20 BHED C=CCC[C@H](C)N[C@H]1CCO[C@@H](C(C)(C)C)C1 543617327 SJBBZFQIOKZLRQ-MELADBBJSA-N 239.403 3.524 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1cc(C)ccn1 552063934 RXIYKKSFVMOEFE-ZIAGYGMSSA-N 232.371 3.785 30 20 BHED C=CCC1(C(=O)N(C)CCC(C)C)CCCC1 648727794 QCUSYGMAEGWFOX-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C#Cc1cccc(N[C@@H](C)Cc2cccs2)c1 689890022 BOFWXFGENHNGSB-LBPRGKRZSA-N 241.359 3.773 30 20 BHED C#CCCCCC(=O)N[C@H](CC)C1CCCCC1 692854986 XHQBVQLQEMZGGM-OAHLLOKOSA-N 249.398 3.655 30 20 BHED C=CCCC(=O)N(CC)c1ccc(Cl)cc1 726500995 XWHYBBQNVFHDBZ-UHFFFAOYSA-N 237.730 3.659 30 20 BHED CC[C@@H]1C[C@H](C)CCC1=NNc1ccccn1 769568750 KLAFJBSOFPBLHJ-VXGBXAGGSA-N 231.343 3.696 30 20 BHED CC1=CCC[C@H](C)[C@H]1C=NOCc1cccnc1 773210099 VNFUDPFYABQMSQ-ZFWWWQNUSA-N 244.338 3.576 30 20 BHED C=C(CC)COC(=O)[C@@H](CC)c1ccccc1 773430532 RJPVDEVCFIAOMP-AWEZNQCLSA-N 232.323 3.690 30 20 BHED C=CCN(C[C@H](C)c1ccc(OC)cc1)C(C)C 775656652 LTRIFPFZZYERJJ-AWEZNQCLSA-N 247.382 3.695 30 20 BHED C#CCCCCCC(=O)N(C)c1ccc(C)cc1 779899705 SMUOKHHSJDHYOC-UHFFFAOYSA-N 243.350 3.542 30 20 BHED COc1cccc(NN=C2CCC(C)(C)C2)c1 783817143 WPTDZDRUHXUHGR-UHFFFAOYSA-N 232.327 3.673 30 20 BHED CCCCCCCCS(=O)(=O)C(CC)CC 790170663 CKPCKGCHMZGIDX-UHFFFAOYSA-N 248.432 3.950 30 20 BHED CCC(=NN[C@H](C)CC)C1CCCCC1 790191280 YFAQEMYTUGSLCE-LLVKDONJSA-N 210.365 3.721 30 20 BHED CC[C@@H]1C[C@@H](C)CCC1=NOCCSC 794576930 KUMAGVWPNOLJQI-WDEREUQCSA-N 229.389 3.568 30 20 BHED C=CCCCCCCNC(=O)[C@@H]1CC[C@@H](C)C1 805219262 CJRDUGXCBHSLFQ-ZIAGYGMSSA-N 237.387 3.675 30 20 BHED C=CCCCCCCCN[C@@H](C)c1nccn1C 810243979 WJSJMXNPDFFVRR-AWEZNQCLSA-N 249.402 3.597 30 20 BHED C=CCCCCCCCN[C@H]1CCOC[C@@H]1C 810244036 XVHCUPWPCYTKLX-GJZGRUSLSA-N 239.403 3.528 30 20 BHED CC(CCc1ccsc1)=NOC1CCC1 812237331 UWSZUCIRUWHSAP-UHFFFAOYSA-N 223.341 3.626 30 20 BHED CC(=NNc1cc(C(F)(F)F)ccn1)C(C)C 834983953 YUJQYMWKRYKMSJ-UHFFFAOYSA-N 245.248 3.544 30 20 BHED C=CC(C)(C)CC(=O)Nc1c[nH]c2ccccc12 888115891 AJPIYICLJOSMCY-UHFFFAOYSA-N 242.322 3.709 30 20 BHED CC[C@@H](C)[C@H](C)NCCCCC1(C#N)CCC1 930225431 BQQGMGYEIVEDSH-KGLIPLIRSA-N 236.403 3.875 30 20 BHED COc1ccc([C@@H](C)S[C@@H](C#N)C2CC2)cc1 1165587755 XTQUFNQPPCATGY-YGRLFVJLSA-N 247.363 3.792 30 20 BHED C[C@H](C#N)Sc1ccc2c3c(cccc13)CC2 1166714557 USTJQGAFZPBGKB-SNVBAGLBSA-N 239.343 3.943 30 20 BHED C=C[C@@H](COC)NCC[C@H](C)CCC=C(C)C 1321090794 SVFYCSQESAMJGK-CABCVRRESA-N 239.403 3.550 30 20 BHED C=C(C)CN(C)c1c(C)cnc2ccccc12 1331000325 AHNUWGHAQKFHKA-UHFFFAOYSA-N 226.323 3.556 30 20 BHED C[C@H](CCC#N)CN(CC1CCCCC1)C1CC1 1474364002 WQPRSFIDIOUTQQ-CQSZACIVSA-N 248.414 3.971 30 20 BHED C=CCCCCNc1cccc([C@@H](C)C(=O)O)c1 1588802348 IAOLYTKALKKFFX-GFCCVEGCSA-N 247.338 3.643 30 20 BHED CCCC[C@@H](C)Nc1ccc(OCC#N)cc1 37228546 KRBYBFKOCZQCEL-GFCCVEGCSA-N 232.327 3.580 30 20 BHED C=C(C)CN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 48043255 KXZJKFBUIYZOQX-IUODEOHRSA-N 245.366 3.944 30 20 BHED C=CCCCNc1cccc(NC(=O)C(C)C)c1 77244985 QCCQMZXEFCKXND-UHFFFAOYSA-N 246.354 3.659 30 20 BHED C#CCCCCN[C@@H](CC)c1ccc(OC)cc1 90397762 GZAZEHHSZBHQJJ-INIZCTEOSA-N 245.366 3.539 30 20 BHED Cc1cc(Nc2snc(C)c2C#N)ccc1F 92912349 JFRMUJZAUAHVMZ-UHFFFAOYSA-N 247.298 3.514 30 20 BHED C=CCCN[C@H](C)c1ccc(OC(C)C)cc1 163903702 DZDQCSBXAUGHAR-CYBMUJFWSA-N 233.355 3.701 30 20 BHED C=CCCCC(=O)N(CC)c1ccccc1C 177547569 NDTWKGHLTNAAPE-UHFFFAOYSA-N 231.339 3.704 30 20 BHED C=CCC1(C(=O)NC2C[C@H](C)C[C@@H](C)C2)CCC1 187976883 AJWCUAQKZRAYDU-CHWSQXEVSA-N 249.398 3.674 30 20 BHED Cc1ccccc1S[C@@H](C)CCC#N 188300637 WKKMRTJTNRLZAY-NSHDSACASA-N 205.326 3.779 30 20 BHED C=CCCCCCOc1cc(C(=O)O)ccc1C 235787079 MHTIYXYAOUPKRH-UHFFFAOYSA-N 248.322 3.818 30 20 BHED CCc1ccc(/C=C\C(=O)c2ccco2)cc1 254999823 SSOXYGMDILVPLC-KTKRTIGZSA-N 226.275 3.738 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1cnccc1C 293722529 NTWWZRQACRSGDV-ZDUSSCGKSA-N 232.371 3.643 30 20 BHED Cc1cccc(CS[C@H]2CC[C@@H](C#N)C2)c1 295235901 UFJXFNUSGODXCK-OCCSQVGLSA-N 231.364 3.921 30 20 BHED C[C@@H]1CC[C@H](Nc2cc(F)cc(C#N)c2)C[C@H]1C 299933557 IYPZXBPJCRIPDP-GYSYKLTISA-N 246.329 3.934 30 20 BHED N#CCC1(COc2ccc(Cl)cc2F)CC1 304311225 QMNJXSIAPYSIEI-UHFFFAOYSA-N 239.677 3.552 30 20 BHED CC#CCNc1ccccc1SC(F)(F)F 309350708 MRUWOJOSAXVQIO-UHFFFAOYSA-N 245.269 3.734 30 20 BHED Cl/C=C\CON=Cc1cscc1Cl 379370739 GRASLCGAIZPCJT-ZOEVGWLASA-N 236.123 3.505 30 20 BHED C=C(CC)CSCC(F)(F)C(F)F 388734504 WEEAMHQGVPOQEJ-UHFFFAOYSA-N 216.243 3.586 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[C@H](C)C1 424607607 LFDYIUYNHAAGGN-QWHCGFSZSA-N 237.387 3.531 30 20 BHED CC(C)C(C)(C)CNC1CCC(C)(C#N)CC1 449266094 UARVHJZAIGGSPZ-UHFFFAOYSA-N 236.403 3.731 30 20 BHED Cc1cccc(CNCC(C)(C)CCC#N)c1F 449334071 WPQMBHSDNGUVOU-UHFFFAOYSA-N 248.345 3.554 30 20 BHED C=CCC[C@@H](CC)NC[C@@H]1CCCC1(F)F 449496400 PZIGAPADXOGTPD-NWDGAFQWSA-N 231.330 3.756 30 20 BHED C=CC(C)(C)c1nc(-c2occc2C(C)C)no1 453186060 LRCHQRQPLAFGCS-UHFFFAOYSA-N 246.310 3.917 30 20 BHED C=C(CC)CN[C@H](C)c1cc(C)c(C)o1 453346800 GDIYQBJPBUITFQ-LLVKDONJSA-N 207.317 3.513 30 20 BHED C=C(C)CN(CC)C(=O)[C@@H]1CCCC[C@H]1CC 474788694 BLVJGYWMVQLQIC-ZIAGYGMSSA-N 237.387 3.627 30 20 BHED C=CCN[C@H]1CCCC[C@@H]1Cc1ccccc1 481175576 WRUMZVCKSINFAI-CVEARBPZSA-N 229.367 3.564 30 20 BHED C=CCCCCCNC(C)(C)c1ccc(C)nc1 488335454 YAKHPCBFZGFFBY-UHFFFAOYSA-N 246.398 3.961 30 20 BHED C=C(C)CCSc1ccc(C#N)cc1F 505515867 WVXSOJKVAPYRQS-UHFFFAOYSA-N 221.300 3.756 30 20 BHED C=CCCN(C)[C@@H](CC)Cc1ccccc1 525127632 KLXZCQVFOAKYRM-HNNXBMFYSA-N 217.356 3.516 30 20 BHED C/C(Cl)=C/CN(C)[C@@H](C)c1cccc(C#N)c1 528525450 KQSXKYROGLPGEN-RDQDRAATSA-N 248.757 3.694 30 20 BHED C[C@H](NC1(C2CCC2)CC1)c1ccc(C#N)cc1 593080240 KLSZIHMQBJPLSW-LBPRGKRZSA-N 240.350 3.542 30 20 BHED CC(C)(C)OCCCSCC1(CC#N)CC1 596343099 KLNOZOFCOSFLEI-UHFFFAOYSA-N 241.400 3.619 30 20 BHED C=CCCCN(CCC)Cc1ccc(OC)cc1 605150214 KZQFEQXOKNTVON-UHFFFAOYSA-N 247.382 3.873 30 20 BHED CCc1ccccc1C/N=C/c1ccccc1O 740616893 WLZGBHSVALYBMY-SFQUDFHCSA-N 239.318 3.574 30 20 BHED C[C@H]1CCC[C@@H](C=NNc2ccc(C#N)cc2)C1 768359453 DYBMFVPIERGBHM-GXTWGEPZSA-N 241.338 3.782 30 20 BHED CCCCCCCCN1CCC[C@H](OC)CC1 783018846 SICPMWDXHVGMCJ-HNNXBMFYSA-N 241.419 3.848 30 20 BHED CC(=NNc1ncccc1F)C1C(C)(C)C1(C)C 794982770 AZZIRXWWEFPJSQ-UHFFFAOYSA-N 249.333 3.691 30 20 BHED C=CC[C@H](C)C(C)=NOCc1ccccc1OC 799117448 LQYZULVICQDJJN-LBPRGKRZSA-N 247.338 3.800 30 20 BHED C#CC[C@H](N[C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 800975783 LARLHDVEDYBDAF-YVSFHVDLSA-N 239.362 3.529 30 20 BHED C=CCCCCCCNC(=O)c1cc(C)c(C)o1 805218364 XPXRPAGWTCQOIQ-UHFFFAOYSA-N 249.354 3.763 30 20 BHED Cl/C=C\CON=Cc1coc2ccccc12 811669227 YHTDWOTWSAORNU-DFQCKXBHSA-N 235.670 3.536 30 20 BHED C=C[C@@H](CC)CC(=O)N(C1CCC1)C1CCC1 820355574 RRPUSFOEYRXWEP-LBPRGKRZSA-N 235.371 3.522 30 20 BHED C=C(CC)CNCc1ccc2ccccc2c1O 825221661 VLZQDWLKVFMUFT-UHFFFAOYSA-N 241.334 3.601 30 20 BHED C=CC(C)(C)C(=O)O[C@@H](C)c1ccccc1 835106539 QFWSNIJCMPQSOC-NSHDSACASA-N 218.296 3.503 30 20 BHED C=CC[C@@H](OC(=O)CCCF)c1ccccc1 850964520 AEQGUBJKEZMFHI-CYBMUJFWSA-N 236.286 3.597 30 20 BHED C=CC(C)(C)CC(=O)Nc1cccc2cc[nH]c12 879536787 USFSHBOFHJMYDF-UHFFFAOYSA-N 242.322 3.709 30 20 BHED C=C1CCC(C(=O)Nc2cccc(F)c2C)CC1 889313491 NPVWUEMOGSFGSQ-UHFFFAOYSA-N 247.313 3.819 30 20 BHED CCO[C@@H]1CCCC(=NOCc2ccccc2)C1 905434937 VYDFIWUIDBUNAO-OAHLLOKOSA-N 247.338 3.538 30 20 BHED CCCCCCCCCNC(=O)[C@@H](C)SC 915295339 UZOCFLYSXBVTKN-GFCCVEGCSA-N 245.432 3.605 30 20 BHED CCCCCCSc1ccc(C#N)cn1 915795736 XAAALKGELKJORE-UHFFFAOYSA-N 220.341 3.626 30 20 BHED CCc1ccccc1N=Cc1ccccc1O 920942886 MMVFXBMNXXPQFB-UHFFFAOYSA-N 225.291 3.705 30 20 BHED CCN(Cc1ccc(CC(C)C)cc1)[C@H](C)C#N 1196402446 KBLKJBZPZVHKIH-CQSZACIVSA-N 244.382 3.619 30 20 BHED Cc1ccc(C(=O)/C=C/c2cccc(O)c2)s1 32531690 XQAVHHNTDYUFSD-VOTSOKGWSA-N 244.315 3.658 30 20 BHED C=C(C)CN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 48043253 KXZJKFBUIYZOQX-WFASDCNBSA-N 245.366 3.944 30 20 BHED N#C[C@H](OC(=O)C1CCCCC1)C1CCCCC1 84576205 QEASWCGLWYXZID-AWEZNQCLSA-N 249.354 3.582 30 20 BHED C[C@@H](NCc1cc(C#N)cs1)c1ccsc1 86573721 ZXTZYTBEIRXMSO-SECBINFHSA-N 248.376 3.532 30 20 BHED CCCc1ccc(OCC2(CC#N)CC2)cc1 88272181 LSMHQENLHIEYBQ-UHFFFAOYSA-N 229.323 3.712 30 20 BHED C=CCOc1cccc(NC(=O)C(C)(C)CC)c1 102607067 IGPSYOQYUKTCEB-UHFFFAOYSA-N 247.338 3.626 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cc(C)sc1C 119316859 XWFHCGDGSFUYFU-WPRPVWTQSA-N 209.358 3.590 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 119318291 PRPBAZQXDKAJBC-ZJUUUORDSA-N 243.272 3.931 30 20 BHED C=CCC[C@H](C)N[C@H](C)Cc1ccsc1 126776412 KMNPFCFADYBFLD-NWDGAFQWSA-N 223.385 3.623 30 20 BHED C=CCSCCN[C@H](C)c1sccc1C 129370163 HIULFCOEZKTROX-LLVKDONJSA-N 241.425 3.626 30 20 BHED C=CC[C@@H](C)N[C@@H](C)Cc1ccc(Cl)cc1 131966887 GDZLDWHBJJJWLV-NEPJUHHUSA-N 237.774 3.825 30 20 BHED C=C(Cl)CNC(=O)CCCCCCCCC 134819307 ZJKFPJJIKIBDDH-UHFFFAOYSA-N 245.794 3.996 30 20 BHED CC(C)(C#N)CCSc1cccc(C#N)c1 158715674 TZRYZLQWGXYDQP-UHFFFAOYSA-N 230.336 3.590 30 20 BHED CCCCCCCCN[C@@H]1CCO[C@H](CC)C1 160841184 PJKULJNHLFTDMS-HUUCEWRRSA-N 241.419 3.894 30 20 BHED CN(CCCCC#N)Cc1cc2ccccc2o1 175184584 DVZBQFFMWPOREZ-UHFFFAOYSA-N 242.322 3.558 30 20 BHED N#Cc1csc(/C=C/C(=O)c2ccsc2)c1 176844162 VDSLZCVQCIAWMA-OWOJBTEDSA-N 245.328 3.577 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 180144514 DYGFUYSNICMOQX-ZIAGYGMSSA-N 242.366 3.954 30 20 BHED C#CCCCCC(=O)N[C@H](CCCC)C1CCC1 180361500 HGKVKXQDWJFKDC-OAHLLOKOSA-N 249.398 3.655 30 20 BHED C#CCCCC(=O)Oc1ccccc1SCC 192321691 MVWNWERUYIQPQS-UHFFFAOYSA-N 248.347 3.508 30 20 BHED CC(C)C(CNc1cccc(C#N)c1)C(C)C 229567789 PELMQQRRZYDGGX-UHFFFAOYSA-N 230.355 3.898 30 20 BHED Cc1ccccc1OCc1ccc(F)cc1C#N 260848506 UCIFXJFKQHVUAF-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 295349566 QGGNRJIETSWYQJ-OLZOCXBDSA-N 245.366 3.507 30 20 BHED C=C(Cl)CN[C@H]1C[C@H](C)c2ccccc21 309018247 RZMZDIRAZZOLSL-ZANVPECISA-N 221.731 3.577 30 20 BHED C=CCCCCNCc1cnc2ccccc2c1 311195907 IAWAFLFHZVYRCA-UHFFFAOYSA-N 240.350 3.681 30 20 BHED N#Cc1c(F)cccc1N[C@H](C1CCC1)C1CC1 325062355 XPSKZCCEILJHOX-OAHLLOKOSA-N 244.313 3.688 30 20 BHED CSc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1 335620204 MLEJLWNBJDPWIT-PWSUYJOCSA-N 232.352 3.513 30 20 BHED C=CCCSCc1ccn(-c2ccccc2)n1 339090073 BOCUVHIGXIGXKJ-UHFFFAOYSA-N 244.363 3.682 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCCc2cc(F)ccc21 340532318 LGQOEPATSLYKES-IAQYHMDHSA-N 233.330 3.757 30 20 BHED C=C(C)CSCc1ccc(-n2cccn2)cc1 341012859 FZRSUNASLBBIFO-UHFFFAOYSA-N 244.363 3.682 30 20 BHED C=C(C)CCc1noc([C@H]2C[C@@]2(C)C(C)C)n1 347277541 ZIMQNXCCNKHUGM-RISCZKNCSA-N 234.343 3.728 30 20 BHED C=CCN(CC=C)C(=O)c1cc(C(C)C)oc1C 348496527 RJDBTLDYQIGTDH-UHFFFAOYSA-N 247.338 3.526 30 20 BHED CCC(C)(C)c1ccc(CN(C)CCC#N)cc1 351870137 KUDRQFPKFPWRDN-UHFFFAOYSA-N 244.382 3.720 30 20 BHED CC[C@@]1(C)CCCN(Cc2ccccc2C#N)C1 353671085 CHTISHBPGGOYDE-INIZCTEOSA-N 242.366 3.570 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CCC[C@@H](C)CC2)CC1 356969645 JVKQRQWPOZNULP-ZIAGYGMSSA-N 249.398 3.818 30 20 BHED C=CC[C@@H](CC)Nc1nc(C)c(C#N)cc1Cl 360080696 AQAJDBHJYQEXQQ-LLVKDONJSA-N 249.745 3.682 30 20 BHED C[C@H](NCCCC#N)c1ccc(C2CC2)cc1 419339632 MFZRTSNTRPLKRF-LBPRGKRZSA-N 228.339 3.518 30 20 BHED C=C(C)CSCc1cccc(C(C)=O)c1 419415287 HQQOYIINGYYYSJ-UHFFFAOYSA-N 220.337 3.699 30 20 BHED CC(C)(C#N)CCCN1CC[C@H](C2CCCC2)C1 420959773 FKZXADZCLTUAIY-HNNXBMFYSA-N 248.414 3.828 30 20 BHED C=C(C)CN(CC)CCCSCC(C)C 443619415 HFTYWEAVZVZHHG-UHFFFAOYSA-N 229.433 3.664 30 20 BHED Cc1c(Cl)cnc(N[C@H]2CC[C@H](C)C2)c1C#N 444003660 OEAIZLXYGDIMQZ-WPRPVWTQSA-N 249.745 3.516 30 20 BHED C=CC(C)(C)CNC(=O)[C@H]1CC[C@H](CC)CC1 452772570 FZXORWHJOABDQB-JOCQHMNTSA-N 237.387 3.531 30 20 BHED C=CCCC[C@H](C)NC1CC2(CCC2)C1 459456016 DPZIGNMKVWHMKA-LBPRGKRZSA-N 207.361 3.654 30 20 BHED C=C(C)COc1ccccc1C(=O)OC(C)(C)C 488118889 RYULXEFQTNRMEJ-UHFFFAOYSA-N 248.322 3.597 30 20 BHED C=C[C@H]1CCCCN1C(=O)CCCC1CCCC1 488874222 DDPXRMSKENFYDS-HNNXBMFYSA-N 249.398 3.914 30 20 BHED CC#CCN[C@H](c1ccccc1)c1ccc(C)cc1 494714997 KTPXRBXYALRRMK-GOSISDBHSA-N 249.357 3.697 30 20 BHED C=CCCCCCN(C)C/C=C/c1ccncc1 494985610 LNCUQWMLTDHCOJ-CMDGGOBGSA-N 244.382 3.773 30 20 BHED C=C(CC)CN[C@H](C)c1cccc(OCC)c1 538176685 MAWQSQVSBYJECS-CYBMUJFWSA-N 233.355 3.702 30 20 BHED C=CC1CCN(Cc2ccc(Cl)s2)CC1 538729766 SKEOTQQGHAPYFF-UHFFFAOYSA-N 241.787 3.800 30 20 BHED C=CCCN1CC[C@@](C)(c2ccc(C)cc2)C1 555016521 PEAOUUCSWXRCIY-MRXNPFEDSA-N 229.367 3.535 30 20 BHED C=C[C@H]1CCCCN1[C@H](C)Cc1ccsc1 567425510 QYXLWASLWMDQCH-OCCSQVGLSA-N 235.396 3.720 30 20 BHED C=CCCCCN[C@H](CC)c1c(C)noc1C 582587377 MMZAJBPDZSTGPP-CYBMUJFWSA-N 236.359 3.688 30 20 BHED C[C@@H](CCC#N)N1CCC(C2CCCC2)CC1 591015968 ZJZUGFXOJYTEMX-ZDUSSCGKSA-N 234.387 3.581 30 20 BHED C[C@@H]1CCCC[C@@H]1Sc1cccnc1C#N 600547915 LOERGYLHQGNJHZ-PWSUYJOCSA-N 232.352 3.624 30 20 BHED CCN(C[C@H](C)CCC#N)C1CCCCC1 602428510 PNMHYAVOLYUSDD-CYBMUJFWSA-N 222.376 3.581 30 20 BHED C[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)C1CCC1 611465885 CWVRKDMIYHREBZ-WDEREUQCSA-N 246.329 3.537 30 20 BHED C=C[C@H]1CCCCN1c1nc2cccc(F)c2o1 624164674 BVCLPQHMAWBFQB-JTQLQIEISA-N 246.285 3.512 30 20 BHED C=C(C)CCNC(=O)CCCC[C@@H](C)CC 650928279 ZQYBDZBYDQIRFE-ZDUSSCGKSA-N 225.376 3.675 30 20 BHED C=CC[C@H](C)N[C@H]1c2ccccc2CC[C@H]1C 678773621 PYEDOZOOTDNBON-DVOMOZLQSA-N 229.367 3.864 30 20 BHED C=CCC[C@H](C)N[C@H]1CCc2ccc(C)cc21 680473856 DUSZIBQIOXVGOW-BBRMVZONSA-N 229.367 3.927 30 20 BHED CC[C@@H](N[C@@H](C)CC(C)(C)C#N)C1CCCC1 695875450 YVYCNVZUEGYJJX-GXTWGEPZSA-N 236.403 3.873 30 20 BHED CCC(=NNc1ccc(C)cc1)C1CC1 741159637 BKCYAJNIGYCVSX-UHFFFAOYSA-N 202.301 3.583 30 20 BHED CCCCCCCOC(=O)[C@@H](C)C(F)(F)F 744046659 CYANMTGFRSDUFS-SECBINFHSA-N 240.265 3.698 30 20 BHED C=C(C)CCOC(=O)C[C@@H](CC)C(C)C 744304193 PJDKRBJMUTWKMO-GFCCVEGCSA-N 212.333 3.568 30 20 BHED C=CCCCOC(=O)C1(Cc2ccccc2)CC1 752604347 YCMMMZFWJJCMDL-UHFFFAOYSA-N 244.334 3.519 30 20 BHED CC(C)[C@H]1CCCCC1=NNc1ccccn1 764667225 YTBQMKKTOPBIDQ-GFCCVEGCSA-N 231.343 3.696 30 20 BHED C#CCCCN[C@@H](C)c1cc(C)c(F)c(C)c1 766232918 IYPBOCVCMRTHTG-ZDUSSCGKSA-N 233.330 3.507 30 20 BHED CC(=NNc1ccccc1)c1cccc(F)c1F 776259002 XMAKUBBEAHXXEI-UHFFFAOYSA-N 246.260 3.801 30 20 BHED CC(CSC(C)(C)C)=NNCCC(C)(C)C 782903152 QHPAEZKZEUABSM-UHFFFAOYSA-N 244.448 3.920 30 20 BHED CC(C)Oc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1 799720538 IYWNBNQKJBAPAR-OCCSQVGLSA-N 244.338 3.578 30 20 BHED C=CCCCCCCCNC(=O)C=C(C)C 810764066 KCSWCLOUUVIDQA-UHFFFAOYSA-N 223.360 3.595 30 20 BHED CC(Cc1ccccc1F)=NOC/C=C\Cl 811668226 LXGJCGONJFLUQG-AUZNDJKCSA-N 241.693 3.513 30 20 BHED C[C@H](C=NNc1ncccc1F)C1CCCCC1 814927205 BKWIALIDQLNTED-LLVKDONJSA-N 249.333 3.835 30 20 BHED Cc1ccc(SCCCCC#N)s1 830042855 DSAWQEVYJZKCJC-UHFFFAOYSA-N 211.355 3.843 30 20 BHED C#CCCCCCC(=O)N1CCCCCCCC1 836925983 XHRUWKXSJNKPAK-UHFFFAOYSA-N 249.398 3.753 30 20 BHED CCC(=NNc1cccc(Cl)n1)[C@@H]1C[C@@H]1C 841642104 GLVDCURBGWXXBQ-DTWKUNHWSA-N 237.734 3.569 30 20 BHED Clc1cc(NN=C2CC[C@H]2C2CCC2)ccn1 853395471 YMTFTGUTNJGPEP-NSHDSACASA-N 249.745 3.713 30 20 BHED Cc1cc(Cl)ccc1CON=CC1CC1 853735388 TVGNGMDGQHVORO-UHFFFAOYSA-N 223.703 3.561 30 20 BHED Cc1cccc(NN=C2CCC[C@H]2C(C)C)n1 863159561 ADKWPVUBZAAPQL-LBPRGKRZSA-N 231.343 3.614 30 20 BHED CC(C)CC=NNc1ccc2ccccc2n1 863951805 SUYLOIPEZYBQKN-UHFFFAOYSA-N 227.311 3.679 30 20 BHED N#CCCCCOC(=O)CCC1CCCCC1 912955988 DFHUWENSWGAMRP-UHFFFAOYSA-N 237.343 3.584 30 20 BHED C[C@@H](NN=C/C=C\c1ccco1)c1ccccc1 920382851 PVWZOCVUDRJDSX-UENSANESSA-N 240.306 3.629 30 20 BHED CC[C@@H]1C[C@H]1CSc1ccccc1C#N 1643710258 YVRBUIZWYILFSA-PWSUYJOCSA-N 217.337 3.696 30 20 BHED CC[C@@H](S)c1cc(Br)ccc1O 20476524 AUPXVABASQMENH-SECBINFHSA-N 247.157 3.536 30 20 BHED C=C(C)CN(CC)[C@@H](C)c1ccc(F)cc1 52890536 BWUSNGPOGZBBQQ-LBPRGKRZSA-N 221.319 3.785 30 20 BHED C=C(C)CN(CC)C(=O)C[C@H](C)c1ccccc1 57158061 CPQGJQNIFPPAOH-AWEZNQCLSA-N 245.366 3.605 30 20 BHED N#C[C@H](Sc1ccccn1)C1CCCCC1 59340810 WIXRQINGVZIBLY-LBPRGKRZSA-N 232.352 3.646 30 20 BHED C=CCCN[C@@H](C)c1cc(C)sc1C 70591984 HKTJUYHRERFBTQ-JTQLQIEISA-N 209.358 3.592 30 20 BHED N#CCCCN1CCCCC[C@@H]1c1ccco1 78830694 STLYBWXCOIRBLA-CYBMUJFWSA-N 232.327 3.500 30 20 BHED C[C@H](NCCCC(C)(C)C#N)c1ccsc1 83641051 ANBYSUDSJVXFBE-NSHDSACASA-N 236.384 3.729 30 20 BHED Cc1cc(OCC2(CC#N)CC2)ccc1Cl 88272093 LSYBNRYLCTZCCP-UHFFFAOYSA-N 235.714 3.721 30 20 BHED C=CCCOc1cc(Cl)ccc1Cl 96832810 DQYXUYNXLHBMGR-UHFFFAOYSA-N 217.095 3.948 30 20 BHED C#CCCCCC(=O)N[C@@H](C)CCC(C)(C)C 120170655 OLXJODRKWFJSRX-ZDUSSCGKSA-N 237.387 3.511 30 20 BHED Cc1cccc([C@@H]2CCCN2CCCC#N)c1C 122317184 HGBJQYIZKFHTPH-INIZCTEOSA-N 242.366 3.744 30 20 BHED C=CCCC(=O)CSc1cc(F)ccc1F 134687519 HHYXBKQKAUBRQL-UHFFFAOYSA-N 242.290 3.592 30 20 BHED CC[C@@H]1CCC[C@H]1Nc1ccc(C#N)cc1 135506451 BDGZZJWQIOVEDW-TZMCWYRMSA-N 214.312 3.549 30 20 BHED CC[C@@](C)(C#N)C(=O)Nc1ccc(C(C)C)cc1 136169106 LYXCHWFYOMDTHZ-HNNXBMFYSA-N 244.338 3.688 30 20 BHED Cc1cccc(OCc2ccc(CC#N)cc2)c1 147189551 YTFUSKVHNBISKS-UHFFFAOYSA-N 237.302 3.640 30 20 BHED C#CCCN[C@H](C)c1cc2ccccc2s1 163660947 HAVDJVTYCIWJDG-LLVKDONJSA-N 229.348 3.575 30 20 BHED C[C@@H](N[C@@H]1CCC(C)(C)C1)c1cccc(C#N)c1 164666405 QLAFBUYHGWPBNK-IUODEOHRSA-N 242.366 3.788 30 20 BHED CC(C)CCN(CCC#N)CCCC(C)(C)C#N 174876121 OUCYBXLSEWFSAX-UHFFFAOYSA-N 249.402 3.578 30 20 BHED C#CCCCN[C@H](C)c1ccc(F)cc1Cl 178055051 DVUIMFZMXINPCY-SNVBAGLBSA-N 239.721 3.543 30 20 BHED C[C@@H](C#N)Oc1ccccc1N[C@H]1CC[C@@H](C)C1 180204197 XNSFOHJSHONVKV-AGIUHOORSA-N 244.338 3.578 30 20 BHED CCC(CC)CNc1cc(F)cc(C#N)c1 227630403 ZWGQZNRJINJKSP-UHFFFAOYSA-N 220.291 3.545 30 20 BHED C[C@H](NCC(C)(C)CCC#N)[C@@H]1C[C@H]2CC[C@H]1C2 253029504 QGWOCZPFLOBJFH-AJNGGQMLSA-N 248.414 3.731 30 20 BHED C[C@@H]1CC[C@H](c2ccccc2)N(CCCC#N)C1 285713446 WOXGSPIAYZBYKB-GDBMZVCRSA-N 242.366 3.763 30 20 BHED C=CCCCCCSCCCOC 308364350 NMTMZTNMOCEQLM-UHFFFAOYSA-N 202.363 3.503 30 20 BHED CC(C)CN(CCCCC#N)Cc1ccccc1 338732302 HSGKXSRZDIXOCE-UHFFFAOYSA-N 244.382 3.838 30 20 BHED C=CCC(C)(C)c1noc(C2CCCC2)n1 340805254 USVYBHMNTHKSRM-UHFFFAOYSA-N 220.316 3.581 30 20 BHED C[C@H]1C[C@@H](C)C[C@H](CCN(C)[C@H](C)CC#N)C1 345905343 DDQQOCMLLSXSBG-BARDWOONSA-N 236.403 3.683 30 20 BHED C=CC[C@@H](CC)N[C@H]1CCc2ccc(OC)cc21 393778573 OZYPIQOXTYQOKS-CJNGLKHVSA-N 245.366 3.627 30 20 BHED Cc1ccc([C@H]2CCCN2[C@@H](C)CCC#N)s1 411281701 NQKOKLIHHAREFI-WCQYABFASA-N 248.395 3.886 30 20 BHED C=CCC[C@@H](CCC)N[C@@H](C)c1nccn1CC 449563561 WJXWDLBYYXFKLC-UONOGXRCSA-N 249.402 3.689 30 20 BHED CC[C@H](NCC1(C#N)CCC1)c1ccc(C)cc1 450657774 AOJPEPHQEYXZGU-HNNXBMFYSA-N 242.366 3.730 30 20 BHED CC#CCSC[C@H]1CCC2(CCCCC2)O1 466740100 WNACRNIGHJTSHY-CYBMUJFWSA-N 238.396 3.625 30 20 BHED COc1ccc(C#N)cc1N[C@H]1CCC(C)(C)C1 468513788 FWWKZTZDODJLQB-LBPRGKRZSA-N 244.338 3.557 30 20 BHED CC[C@@](C)(C#N)c1nc(C2CCCCCC2)no1 518375500 BZKPOWRXAGAMSE-AWEZNQCLSA-N 247.342 3.699 30 20 BHED CCC[C@H](CCc1ccccc1)NC[C@H](C)C#N 545192267 VRBFBBXTAAOQAT-GDBMZVCRSA-N 244.382 3.537 30 20 BHED C=CCCCCn1nc(C(F)(F)F)cc1C 563623148 UQDUACVTBGMZMY-UHFFFAOYSA-N 232.249 3.567 30 20 BHED N#CC1(COc2cccc3c2CCCC3)CCC1 591367047 ZERUFWPMNVVRPQ-UHFFFAOYSA-N 241.334 3.638 30 20 BHED CN(C[C@H]1CC=CCC1)[C@H](C#N)c1ccccc1 595428257 WTMVGYACNYPGAW-GOEBONIOSA-N 240.350 3.539 30 20 BHED C=CCCC(C)(C)NCc1nc(C)c(C)s1 717940715 YDGALQWIJLSAQD-UHFFFAOYSA-N 238.400 3.594 30 20 BHED Oc1c(Cl)cc(Cl)cc1/C=N/C1CCC1 730464109 GXMQXANFFVSELX-MKMNVTDBSA-N 244.121 3.670 30 20 BHED C#CC[C@H](NC[C@@H]1CC=CCC1)c1ccccc1 756996843 SGAAZOQVAFODCD-WBVHZDCISA-N 239.362 3.697 30 20 BHED C#CCCN(CCCC)[C@H](C)c1ccc(C)o1 760818532 GCPIXUCQNZNUCQ-CQSZACIVSA-N 233.355 3.774 30 20 BHED C#CC[C@@H](NC1CCCCC1)c1ccccc1 773104762 FTXPIJHTTQLHMT-MRXNPFEDSA-N 227.351 3.673 30 20 BHED Fc1ccc(/C=C\C=NOC2CCC2)cc1F 812235649 LXAKIYTVZSGGAB-OPRRYBFASA-N 237.249 3.533 30 20 BHED C=CCCCCCCCNC(=O)/C(C)=C/C 813257296 WXOFFRWESZLMBE-WLRTZDKTSA-N 223.360 3.595 30 20 BHED CCCCCC[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 818355821 JCOTUCOIJZZIRU-HZSPNIEDSA-N 222.376 3.627 30 20 BHED C=C[C@@H](C)ON=C[C@H](C)CCc1ccccc1 844621041 BZMNRILCKDTLBB-ZIAGYGMSSA-N 231.339 3.832 30 20 BHED C=C[C@@H](OC(=O)[C@@H](C)C1CC1)c1ccccc1 851452670 VPTKWHNVGNIOJB-SMDDNHRTSA-N 230.307 3.503 30 20 BHED C=CCN(C(=O)/C=C/c1ccsc1)C(C)(C)C 857651199 UZHSEDGCOSRHCF-VOTSOKGWSA-N 249.379 3.574 30 20 BHED c1ccc(C2CC2)c(CON=C2CCC2)c1 1118387828 WKPBQNJQYKLUSX-UHFFFAOYSA-N 215.296 3.621 30 20 BHED Cc1cc(Cl)cc(C#N)c1OCC1CC(C)C1 1166377532 MQNDOCHJQAEYNU-UHFFFAOYSA-N 249.741 3.945 30 20 BHED CC(=NNc1ccc(C)c(Cl)c1)c1ccc[nH]1 1317712861 UOUXOOCMOBVLAC-UHFFFAOYSA-N 247.729 3.813 30 20 BHED C=C(CC)C(=O)N(CC)[C@@H](C)c1ccc(F)cc1 1350918971 ZTQOVWILYIWAGG-LBPRGKRZSA-N 249.329 3.701 30 20 BHED C=C(Cl)CN(CC)c1cccc(C)c1C 1653605586 NSLCEZOXBVFQND-UHFFFAOYSA-N 223.747 3.882 30 20 BHED Cc1ccc(/C=C\C(=O)c2cccs2)cc1 33693488 ZKDGBNNVZGEXLH-HJWRWDBZSA-N 228.316 3.953 30 20 BHED Cc1cc(NCCCC(C)(C)C#N)ccc1F 87598178 LFIJTCNWIOFCRJ-UHFFFAOYSA-N 234.318 3.876 30 20 BHED C[C@H]1Cc2ccccc2N1CCCC(C)(C)C#N 87608419 BHKJWGNYIVLPIJ-ZDUSSCGKSA-N 242.366 3.768 30 20 BHED C[C@H]1CCC[C@@H](C)N1CCCC(C)(C)C#N 87608440 PBRNZVUVYHMULH-BETUJISGSA-N 222.376 3.579 30 20 BHED CCSCC[C@H](C)Nc1ccc(C#N)cc1 127339591 NDZGLSUOJPEBQS-NSHDSACASA-N 234.368 3.502 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)c1c(F)cccc1F 135713599 KPXFXIWJNYMBIO-MNOVXSKESA-N 239.309 3.970 30 20 BHED CC[C@@H](CC#N)N[C@H](C)CCc1ccc(C)cc1 136960282 UKOPBXCMVFHZOR-ZBFHGGJFSA-N 244.382 3.598 30 20 BHED C=CCCCC(=O)N1CCC[C@H](CC(C)C)C1 177106481 JQAILVANWJIFMG-CQSZACIVSA-N 237.387 3.627 30 20 BHED C=CCN[C@H](CC)c1ccccc1OC(F)F 179717636 JDRSKMDHSBGXSA-LLVKDONJSA-N 241.281 3.515 30 20 BHED C=CCC1(C(=O)N2CCC[C@@H](CCC)C2)CCC1 189277374 BNAOVPDRHWCBLS-CQSZACIVSA-N 249.398 3.772 30 20 BHED COCc1ccc(NCCCC(C)(C)C#N)cc1 194595933 HKBRSWKULJVBMH-UHFFFAOYSA-N 246.354 3.575 30 20 BHED C[C@@H]1CCCCC1=NNc1ccc([N+](=O)[O-])cc1 254443897 UVSPQCRAUVCTBP-SNVBAGLBSA-N 247.298 3.573 30 20 BHED CC(C)(C#N)CCNC1(c2ccccc2)CCC1 271953779 BOSISYYMBPWBDJ-UHFFFAOYSA-N 242.366 3.595 30 20 BHED C=CCCCCNCc1ccc(C)s1 308466336 HGIOATOOQPQKOS-UHFFFAOYSA-N 209.358 3.502 30 20 BHED Cc1ccc(Cl)cc1N[C@@H]1CC[C@H](C#N)C1 309719701 VMIIAIOSTLTWDW-CMPLNLGQSA-N 234.730 3.753 30 20 BHED CSc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1 335620205 MLEJLWNBJDPWIT-ZYHUDNBSSA-N 232.352 3.513 30 20 BHED Cc1ccc(F)cc1CNCC(C)(C)CCC#N 342279281 DHYXDZKJYLFSJC-UHFFFAOYSA-N 248.345 3.554 30 20 BHED C#CCCCCNCc1cc(C)cc(Cl)c1 378661688 AEEDSVIQKOVDHZ-UHFFFAOYSA-N 235.758 3.542 30 20 BHED CN(CCC1(C#N)CCCCC1)C1CCCC1 411145279 LHASTJVDWBHKJV-UHFFFAOYSA-N 234.387 3.725 30 20 BHED C[C@H]1[C@H](C)CCC[C@H]1NC1CCC(C)(C#N)CC1 449061171 HRNARLMQXUIXBA-WJTFHPDPSA-N 248.414 3.873 30 20 BHED C=CCCC[C@@H](C)NC(=O)CC(C)(C)C1CC1 497935001 CPBDAFOSOOKWTI-GFCCVEGCSA-N 237.387 3.674 30 20 BHED C=CCOc1cccc(CN2CCCC[C@@H]2C)c1 505886512 GXIINPVJHHHSHW-AWEZNQCLSA-N 245.366 3.626 30 20 BHED C=CC[C@@H](C)[C@H](C)NCc1noc2ccccc12 516490641 LMJWKJRCPICGHJ-NEPJUHHUSA-N 244.338 3.518 30 20 BHED C=C(CC)CN1CCC[C@H]1c1ccc(OC)cc1 537993724 RHTARNAVRGTXSN-INIZCTEOSA-N 245.366 3.798 30 20 BHED C=CCC[C@H](C)Nc1cc(F)cc(F)c1OC 542698121 DFTAGNIGVYKUSX-VIFPVBQESA-N 241.281 3.740 30 20 BHED CC[C@@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)o1 584865376 ASHVNYJAUHKZCU-IUODEOHRSA-N 246.354 3.552 30 20 BHED CC[C@H](C)CCN[C@@H](C)c1ccc(C#N)cc1F 595074667 SSLAXIUYCJMPPY-RYUDHWBXSA-N 248.345 3.784 30 20 BHED C[C@H](CCC#N)CN(C)[C@H](C)c1cccs1 602444250 ZVPQNARTFNEGDU-VXGBXAGGSA-N 236.384 3.681 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H](C)[C@H](C)CC 620858160 YIXAJSPIUFQYAM-NEPJUHHUSA-N 225.376 3.530 30 20 BHED C=CCCCCN1CC(C)(C)[C@@H]1c1cccnc1 664818665 IKKSXSYYSNPCMQ-HNNXBMFYSA-N 244.382 3.821 30 20 BHED N#Cc1cccc(N[C@H]2CCCC[C@H]2C2CC2)c1 696105874 RIXQGUMGPRUHED-HOTGVXAUSA-N 240.350 3.939 30 20 BHED CCCCNN=C1CCC[C@@H]1c1ccccc1 732528646 SKLKPBOPORUBBW-CQSZACIVSA-N 230.355 3.700 30 20 BHED CCCCC(CC)=NNc1cccc([N+](=O)[O-])c1 732924345 RTKTXPDEKGUICN-UHFFFAOYSA-N 249.314 3.963 30 20 BHED C=C(C)CCOC(=O)[C@H](C)c1cccc(C)c1 744303032 LNDPRWYUJVVWAV-CYBMUJFWSA-N 232.323 3.608 30 20 BHED C#CCCCN(CC)[C@H](C)c1ccc(F)cc1 766894489 CKYSRBVENOYLIC-CYBMUJFWSA-N 233.330 3.622 30 20 BHED CCC1(C)CCC(=NOC2CCOCC2)CC1 774454330 XNBAMSXTDPKPCA-UHFFFAOYSA-N 239.359 3.528 30 20 BHED CCC(CC)CNN=C1CCCC[C@H]1C 774471520 KWWMBBHYOCHKEM-LLVKDONJSA-N 210.365 3.578 30 20 BHED CC(C)[C@H](Cc1ccccc1)NN=C1CCCC1 777447778 JCLGZMWWBHPQLI-INIZCTEOSA-N 244.382 3.773 30 20 BHED C=CCCC(=NN[C@@H]1CCCC1(C)C)C1CC1 782289787 VVNLSRSVXIRICY-CQSZACIVSA-N 234.387 3.887 30 20 BHED C=CCCCCC[C@H](C)N[C@H]1CCCOCC1 793548178 TZJGHIHRQBHFAS-GJZGRUSLSA-N 239.403 3.670 30 20 BHED COCCCON=C1CCC[C@H](CC(C)C)C1 795041319 CNHPZWZOUOTILO-CYBMUJFWSA-N 241.375 3.632 30 20 BHED C=CCCOc1c(C=O)ccc2ccccc12 814780262 LCLVKSLCWFBMAF-UHFFFAOYSA-N 226.275 3.607 30 20 BHED C[C@H](C=NO[C@H]1CCCCO1)C1CCCCC1 814886659 CAZYFNQBRZUYFL-OCCSQVGLSA-N 239.359 3.732 30 20 BHED CC1(C)CC[C@H](OC(=O)CCCCCC#N)C1 820658867 CJFOUGWNRZTLTJ-LBPRGKRZSA-N 237.343 3.582 30 20 BHED CC(CCCCC#N)=NNc1cccc(C)c1 841604945 VPJFAAMIMMYRQU-UHFFFAOYSA-N 229.327 3.867 30 20 BHED C=CCN(C(=O)Nc1ccccc1C=C)C1CC1 880207885 MIQRZSBSVDRIQG-UHFFFAOYSA-N 242.322 3.512 30 20 BHED C=C(C)CCC(=O)N(CC)C1CCCCC1 1120646358 OPWZIOHEODBMMA-UHFFFAOYSA-N 223.360 3.524 30 20 BHED Cc1cc(SCC2CCC2)ccc1C#N 1641225846 AOUKMIYHDNVCLV-UHFFFAOYSA-N 217.337 3.759 30 20 BHED Cc1ccc(C)c(OCc2cccc(C#N)c2)c1 19804880 MEEYAQLWCLOJHS-UHFFFAOYSA-N 237.302 3.754 30 20 BHED N#Cc1cccc(OC/C=C/c2ccccc2)c1 19806737 ODHLLJSFNXAICA-WEVVVXLNSA-N 235.286 3.650 30 20 BHED C[C@@H]1CCC[C@@H](Sc2ccc(C#N)cn2)C1 54690678 USSHCOKBLKFXGX-ZYHUDNBSSA-N 232.352 3.624 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cc(C)ccc1C 98130028 LFBQDKOGYKNHKA-CHWSQXEVSA-N 203.329 3.529 30 20 BHED C=CCCC(=O)Oc1ccc(Cl)c(C)c1 102214966 UDIUWZRULHOONK-UHFFFAOYSA-N 224.687 3.520 30 20 BHED C#CCCCCNC(=O)CC1CCC(C)(C)CC1 122749968 CAMRMCATOCKNPU-UHFFFAOYSA-N 249.398 3.513 30 20 BHED CC[C@@H](C#N)SCc1cc(C)ccc1OC 127812607 SIKJNHOYJBAJRX-LBPRGKRZSA-N 235.352 3.539 30 20 BHED CC#CCCSCc1csc(C(C)C)n1 154931848 YOUCDLRHNHQGJG-UHFFFAOYSA-N 239.409 3.913 30 20 BHED C=CCCN[C@@H](C)c1cccc(N2CCCC2)c1 181866884 MZKGYXMBGVCWRT-AWEZNQCLSA-N 244.382 3.514 30 20 BHED C=CC[C@H](C)[C@@H](C)Nc1cnn([C@@H](C)C2CC2)c1 187631510 DTYRYAJVKJUXNX-XQQFMLRXSA-N 247.386 3.867 30 20 BHED C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 191806972 GBLPUGONMGBPMW-OFQRWUPVSA-N 249.398 3.770 30 20 BHED C=CCCCCCSc1nnc(C)s1 195422486 CYKFZHRPWABJPB-UHFFFAOYSA-N 228.386 3.685 30 20 BHED C=CC[C@H](C)N[C@@H]1CC[C@@H](C)C[C@H]1CC 252730344 KYIKVCSGAYDLES-XJFOESAGSA-N 209.377 3.755 30 20 BHED C=C(C)CCc1noc([C@H]2CCCCS2)n1 285179519 QZODUTRGEJFRSR-SNVBAGLBSA-N 238.356 3.537 30 20 BHED CC[C@@H](OC(=O)[C@](C)(C#N)CC)c1ccccc1 286854252 XFAKKORNARRCPS-HIFRSBDPSA-N 245.322 3.621 30 20 BHED C=CCOCCCSC(CC)CC 308397860 FKOIBQFQUOXTEM-UHFFFAOYSA-N 202.363 3.501 30 20 BHED CCCC[C@H](CC)NCC(C)(C)CCC#N 310009276 HZHFUUINTPVMFK-ZDUSSCGKSA-N 224.392 3.875 30 20 BHED C=CCNc1cccc(Cl)c1OCC(F)F 310016041 KYKHZXDRORTEEG-UHFFFAOYSA-N 247.672 3.582 30 20 BHED C[C@@H]1CCC[C@H](CSCC2(C#N)CC2)C1 344474658 XOSUISXWLPRDJU-NEPJUHHUSA-N 223.385 3.850 30 20 BHED C[C@@H](CCC#N)N1CCC(c2ccccc2)CC1 351594013 FWMYCGFLQAEDNR-AWEZNQCLSA-N 242.366 3.558 30 20 BHED C=CCC(C)(C)CN[C@@H]1CC[C@@H]1C1CCC1 378848677 CCMSFZKULFYLOY-ZIAGYGMSSA-N 221.388 3.757 30 20 BHED C=C(C)CCN[C@@H]1CCC[C@H](C(F)(F)F)C1 386738312 XNUPRXDJXFDTOE-WDEREUQCSA-N 235.293 3.663 30 20 BHED C=C(C)CNC[C@H](CCC)c1ccccc1 390443917 WSIHJMONGQGOKJ-HNNXBMFYSA-N 217.356 3.736 30 20 BHED CC(C)(CCC#N)CNC[C@H]1C[C@H]2C=C[C@H]1CC2 402575795 RBYPKGNMRGCJAO-SOUVJXGZSA-N 246.398 3.508 30 20 BHED CC#CCCSCCCc1ccsc1 462371552 QLBPTZFMGCOUBI-UHFFFAOYSA-N 224.394 3.827 30 20 BHED CCC[C@](C)(CC)C(=O)Nc1cccc(C#N)c1 474079670 MAEYXDYCNVQNNW-HNNXBMFYSA-N 244.338 3.713 30 20 BHED C=C(C)[C@H](NCC(C)C)c1ccc(F)c(F)c1 479411141 QQDNWWDGSDOULD-AWEZNQCLSA-N 239.309 3.828 30 20 BHED C=CC[C@H](C)[C@@H](C)NCC1(OC)CCCCC1 480703638 BFCKWLBNNCQORP-UONOGXRCSA-N 239.403 3.526 30 20 BHED C=CCCCCN[C@H](C)c1ccncc1CC 517071920 IJLAPNSQIHOHEX-CYBMUJFWSA-N 232.371 3.651 30 20 BHED C=CCC[C@H](N[C@@H]1CC=CCC1)c1ccco1 552061641 UGARJQVUWKFPEF-KGLIPLIRSA-N 231.339 3.985 30 20 BHED C=CCCN[C@@H]1CCCC[C@H]1OCCC(C)C 558830777 BVIFQBCVOXUCNC-HUUCEWRRSA-N 239.403 3.526 30 20 BHED C=C[C@@](C)(CC)c1nc(C(CC)CC)no1 584680267 UVNIDEVDAQXJGQ-ZDUSSCGKSA-N 222.332 3.827 30 20 BHED Cc1ccc2c(c1)CC[C@H]2NC[C@@H](C)CCC#N 602519998 COQDLHZQBASKDM-XJKSGUPXSA-N 242.366 3.512 30 20 BHED C=CCCSc1ncc(-c2ccccc2)[nH]1 606755173 WKKZYULGQOXACX-UHFFFAOYSA-N 230.336 3.745 30 20 BHED CC/C=C/CCN[C@H](C)c1cccc(C#N)c1 613450972 VRZNXAQIYWRBMV-MUBLQREKSA-N 228.339 3.565 30 20 BHED COCCCC(C)=NNc1ccc(Cl)cc1 759180238 XTPWKLXUVNKBKP-UHFFFAOYSA-N 240.734 3.554 30 20 BHED CCC1(CC)C(=NNc2ccccc2)C[C@@H]1OC 762605577 RQRPRINDBCKPSZ-AWEZNQCLSA-N 246.354 3.680 30 20 BHED C=CCN(Cc1cc(Cl)ccc1F)C(C)C 768547394 KQRSBWXBDAYQKN-UHFFFAOYSA-N 241.737 3.876 30 20 BHED C=C(C)CON=Cc1ccccc1C(F)(F)F 771654007 PRXSUFGXSJMWEX-UHFFFAOYSA-N 243.228 3.632 30 20 BHED Cc1ccc(C=NN[C@@H]2CCCC2(C)C)s1 782298880 DHTXHKOIJUIPKS-GFCCVEGCSA-N 236.384 3.559 30 20 BHED CC[C@H](C)CON=C(C)c1cc(C)oc1C 793143853 APLRUXUZIHWUHZ-VIFPVBQESA-N 223.316 3.683 30 20 BHED CC(=NOC1CCC1)c1ccccc1Cl 812236665 QMRKXYXFNFOHBQ-UHFFFAOYSA-N 223.703 3.633 30 20 BHED CC[C@@H](C)NN=C1CC[C@@H](Cc2ccccc2)C1 814912798 AXYYNANADNDVCK-HIFRSBDPSA-N 244.382 3.773 30 20 BHED C=CCCCCC(C)=NNc1ccc(OC)cn1 834973180 TYRVACFZKYRFMA-UHFFFAOYSA-N 247.342 3.624 30 20 BHED C=C[C@H](C)ON=C[C@H](OC(C)C)c1ccccc1 844623783 FPOIUYMAECFQIQ-ZFWWWQNUSA-N 247.338 3.730 30 20 BHED CCCCCCC[C@@H](C)CNC(=O)C(C)C 917872346 IMWPNQVGCFFKNI-CYBMUJFWSA-N 227.392 3.755 30 20 BHED CC(C)(C#N)CCNC(C)(C)C1CCCCC1 1321335441 OBJSOTPIDWHVML-UHFFFAOYSA-N 236.403 3.875 30 20 BHED Cc1ccc(C)c(/C=C/c2cc(C#N)ccn2)c1 1321461996 PULQGRMECMPNTE-AATRIKPKSA-N 234.302 3.741 30 20 BHED CCC[C@H](Nc1ccc(C#N)cn1)C1CCCC1 1458427936 RAHKPDRHCYGZHA-AWEZNQCLSA-N 243.354 3.724 30 20 BHED CC[C@H](CC#N)N[C@H]1CC[C@H](CCC(C)C)C1 1560616339 ZEEJPMRTEHZIJT-ZNMIVQPWSA-N 236.403 3.873 30 20 BHED C=CCCC(=O)N(CC1CCCCC1)C1CC1 102235847 SKJHOLXJVZHPJN-UHFFFAOYSA-N 235.371 3.524 30 20 BHED C=CCC[C@@H](NC(=O)CCC)c1ccccc1 134007462 ZDZNZLZNZPNABW-CQSZACIVSA-N 231.339 3.610 30 20 BHED C[C@H]1CCC[C@H](C)N(CCCC(C)(C)C#N)C1 174874175 VACZUMXOOQVGAP-KBPBESRZSA-N 236.403 3.827 30 20 BHED CC1(C)CCC/C(=C\c2cccnc2Cl)C1=O 177021558 FMDLGZAFXUZPKN-MDZDMXLPSA-N 249.741 3.898 30 20 BHED CC#CCCCC(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 185474932 WCUQXXCFELPMEX-HUUCEWRRSA-N 249.398 3.511 30 20 BHED CC#CCCCC(=O)N1CCC(CC)(CC)CC1 188611132 MEUOSDMMSDHQIE-UHFFFAOYSA-N 249.398 3.609 30 20 BHED C[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccc(CC#N)cc1 221891542 MVFFZSVOFDKUSK-WWGRRREGSA-N 242.366 3.989 30 20 BHED C=CCCCC(=O)N1CCC[C@@H]1c1ccsc1 267168958 LTTBOHQPXGDCFY-CYBMUJFWSA-N 249.379 3.768 30 20 BHED N#CCc1ccc(CSCc2ccco2)cc1 342552039 YNCGTFPZOMQIAO-UHFFFAOYSA-N 243.331 3.779 30 20 BHED C=CCOCCCSCC/C=C/CC 359147574 RXPCGQQKBHFUEG-AATRIKPKSA-N 214.374 3.669 30 20 BHED C#CC[C@@H](NC(CC)CC)c1ccccc1 381343594 YGGWACZIOAFLKF-OAHLLOKOSA-N 215.340 3.529 30 20 BHED C=C(C)CCNC(C)(C)COCc1ccccc1 390057505 PJTDYQQUTVQFJN-UHFFFAOYSA-N 247.382 3.538 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H]1CCCC(C)(C)C1 424796164 HAQKXMNEYULUCJ-LBPRGKRZSA-N 237.387 3.674 30 20 BHED CCSc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 442862087 ZJJLVIPHBLJVDN-WCQYABFASA-N 246.379 3.903 30 20 BHED C=CCCCC[C@H](C)Nc1ccc(CCO)cc1 449045325 GBIQJPLBQLARCM-AWEZNQCLSA-N 247.382 3.768 30 20 BHED CC(C)(CCC#N)CN[C@H]1CCCC12CCC2 449329314 IDQQUJSJVJWDQX-ZDUSSCGKSA-N 234.387 3.629 30 20 BHED C=CCCCC[C@@H](C)NCCC[C@H]1CCOC1 449688750 HVXAHZDLLCDBEF-CABCVRRESA-N 239.403 3.528 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ncccc1CC 453307498 LNODBRHHLALOCW-LBPRGKRZSA-N 232.371 3.507 30 20 BHED C=CCCCCNC(=O)[C@@H]1CCCC[C@@H]1CC 476747070 OVIVNUCQZJMVNQ-UONOGXRCSA-N 237.387 3.675 30 20 BHED C=CCCCN1CC[C@@H](c2ccc(F)cc2)C1 483104606 IIBCXJBZPWVSDS-CQSZACIVSA-N 233.330 3.581 30 20 BHED CCC(CC)(CC)NCc1ccc(C#N)c(C)c1 488144652 VOYPYZBDPSZTMV-UHFFFAOYSA-N 244.382 3.925 30 20 BHED CCOc1ccccc1CSCC1(C#N)CC1 539519659 HIZJCAVOOKOGGM-UHFFFAOYSA-N 247.363 3.622 30 20 BHED C=C(CC)CN[C@H](C)c1cc(F)c(F)c(F)c1 552956565 FGBQXJFSRRBMFI-SECBINFHSA-N 243.272 3.721 30 20 BHED C=CCCN1CCCC[C@@H]1c1ccccc1 558831252 IQRCYZGUDUCTHN-OAHLLOKOSA-N 215.340 3.790 30 20 BHED C=CCC[C@H](CC)N[C@@H]1CCC[C@H](F)C1 570569339 OGUOYWCTRAFNLZ-RWMBFGLXSA-N 213.340 3.602 30 20 BHED C=CCCCCSc1nnc(C(C)(C)C)o1 580516859 WTYMMMBQWQBJSV-UHFFFAOYSA-N 240.372 3.816 30 20 BHED C=CCCCN(C)Cc1ccc(Cl)s1 605149646 JQLZEPLLWQKXLI-UHFFFAOYSA-N 229.776 3.800 30 20 BHED C=CCN(C(=O)[C@@H]1CCC(C)=C(C)C1)C(C)(C)C 622945758 RRAJVNQPAWZSSC-CQSZACIVSA-N 249.398 3.936 30 20 BHED C=CCC[C@@H](CC)N[C@H](C)c1cnc(C)s1 631706114 BALFACJCTNURAI-ZYHUDNBSSA-N 238.400 3.847 30 20 BHED C=C(C)CCc1noc(/C(C)=C/c2ccco2)n1 656018190 QPKGHCLPVOXMCY-PKNBQFBNSA-N 244.294 3.732 30 20 BHED C=CC[C@H]1CCCC[C@H]1N[C@@H]1C[C@H]1c1ccco1 658039310 XXRRAOFXOSTJDG-GBJTYRQASA-N 245.366 3.860 30 20 BHED COc1cccc(NN=C(C)c2ccccc2)c1 725853097 FCXZIQFFHXJKBN-UHFFFAOYSA-N 240.306 3.531 30 20 BHED C=C(Cl)CN1CCC[C@H]1Cc1ccccc1C 734211592 VUDAOCCDIURCJW-HNNXBMFYSA-N 249.785 3.754 30 20 BHED CCCCCC1=C(C)CCC1=NOCCOC 748789461 IFYRMYPLHHAPFQ-UHFFFAOYSA-N 239.359 3.696 30 20 BHED CC(C)O[C@@H]1CC(=NNc2ccccc2)C1(C)C 764890821 CDRPIPVLOGBLIP-CQSZACIVSA-N 246.354 3.678 30 20 BHED Cc1cc(OC/C(Cl)=C/Cl)ccc1C#N 766068728 RLXCXVVPLXAZMX-YHYXMXQVSA-N 242.105 3.565 30 20 BHED CC[C@H]1C[C@H](C)CCC1=NNC1CCCC1 769573115 AMEAPQUQKZDBSL-NEPJUHHUSA-N 222.376 3.721 30 20 BHED CCCC1CCC(=NOC2CCOCC2)CC1 774438518 SFBFCVNPIUJCRQ-UHFFFAOYSA-N 239.359 3.528 30 20 BHED CCC(CC)CNN=C1CCC2(CC1)CC2 792643820 URSNPWJFJUXERL-UHFFFAOYSA-N 222.376 3.722 30 20 BHED C=CC[C@@H](CC)NC(=O)/C=C(\C)c1ccccc1 798554332 OGDHHRRIOYJKIR-RDRICISKSA-N 243.350 3.561 30 20 BHED C=CCOC(=O)c1cc2cc(C)ccc2s1 810539966 YBIFUFILJSFREO-UHFFFAOYSA-N 232.304 3.553 30 20 BHED FC(F)(F)c1ccc(C=NOC2CCC2)s1 812235782 QHYCZZJSJHRYKH-UHFFFAOYSA-N 249.257 3.670 30 20 BHED CCCOc1ccc(C(C)=NOC2CCC2)cc1 812236923 ADXXRSBWAYBNCM-UHFFFAOYSA-N 247.338 3.769 30 20 BHED CC(=NN[C@H](C)c1ccncc1)C1CCCCC1 819816009 WCJPBENYJJTQBY-CYBMUJFWSA-N 245.370 3.688 30 20 BHED CC(C)=CCC[C@@H](C)CC(=O)OCC1(C#N)CC1 830089995 ADJYNEPHTDYBLO-CYBMUJFWSA-N 249.354 3.606 30 20 BHED CCC(=NNc1nc2ccccc2[nH]1)C1CCC1 834921270 RJNSBXBPRAJEHV-UHFFFAOYSA-N 242.326 3.541 30 20 BHED CC(=NOC(C)C)C1CCC(F)(F)CC1 835003396 SPUHHQKVZJMTNN-UHFFFAOYSA-N 219.275 3.613 30 20 BHED CC(C)CC(CC(C)C)C(=O)O[C@@H](C)CC#N 835158807 LHWVDPCORZKJML-LBPRGKRZSA-N 239.359 3.540 30 20 BHED C=CCCCC(=O)OC[C@H]1CCCCC1(F)F 835640014 WQFXMWCNVONMCN-LLVKDONJSA-N 246.297 3.711 30 20 BHED CCCON=C[C@H](C)CCc1ccccc1 842556230 JFBMKBVDIIOWSC-CYBMUJFWSA-N 219.328 3.668 30 20 BHED CC[C@H](C)NN=C1CCC(=C2CCC2)CC1 853336965 AGBZKXIBEPKJFK-NSHDSACASA-N 220.360 3.785 30 20 BHED CC(C)CNN=Cc1cccc(Cl)c1Cl 916366314 SSBPDZJLUFPXSB-UHFFFAOYSA-N 245.153 3.573 30 20 BHED Cc1cc(C)cc(C=NNc2ccc(C#N)cc2)c1 921257925 AFDPRFIZLMBTJV-UHFFFAOYSA-N 249.317 3.621 30 20 BHED Cc1cc(Cl)cc(C#N)c1OC/C=C/Cl 1189561473 QZIRSRXVZIPLJS-NSCUHMNNSA-N 242.105 3.651 30 20 BHED C=C[C@@H](COC)N[C@H](C)c1ccc(C(C)C)cc1 1255020101 XWCWWYSCDRLQIW-CJNGLKHVSA-N 247.382 3.662 30 20 BHED CC(C)(C)ON=C[C@@]1(C)C[C@@H]1c1ccccc1 1325669318 ZTAJZVOJZXQPGO-UKRRQHHQSA-N 231.339 3.981 30 20 BHED N#Cc1cccc2c1CCN2CCC1CCCC1 1473568873 ALOUEUFIWBRRBO-UHFFFAOYSA-N 240.350 3.501 30 20 BHED C=C(CC(C)C)C(=O)Nc1ccccc1CC 1518836291 ZERQHWXHJIYQGB-UHFFFAOYSA-N 231.339 3.790 30 20 BHED C=C(C)CN(Cc1ccccc1)C(=O)C(=C)CC 1520147187 XIZSNCFTLNLOBH-UHFFFAOYSA-N 243.350 3.558 30 20 BHED Cc1ccccc1/C=C\C(=O)c1ccc(C#N)cc1 33780474 ACDXTSCGSURPRA-KHPPLWFESA-N 247.297 3.763 30 20 BHED C[C@@H](NCc1cccc(C#N)c1)C1CCCCC1 37748901 RZGMYPJWWZMISD-CYBMUJFWSA-N 242.366 3.617 30 20 BHED C#Cc1cccc(NC(=O)CC2CCCCC2)c1 41637007 IOUQNDBWKXAEIC-UHFFFAOYSA-N 241.334 3.577 30 20 BHED C=C(Cl)CN(CC)[C@@H](C)c1ccc(C#N)cc1 54340300 BHSFVPCRRPNTTQ-LBPRGKRZSA-N 248.757 3.694 30 20 BHED C=CCCOCCN[C@H](C)c1ccc(C)cc1C 90883432 WVQUTQMDYQXNKE-OAHLLOKOSA-N 247.382 3.547 30 20 BHED C=CC[C@H](C)NC(=O)CC[C@@H](C)c1ccccc1 133340655 JTOQKDFTAHJKDX-KGLIPLIRSA-N 245.366 3.651 30 20 BHED N#CCC1(COC(=O)CCC2CCCCC2)CC1 174746834 GDLAZQRXURQTMF-UHFFFAOYSA-N 249.354 3.584 30 20 BHED C=CCC(CC=C)C(=O)NCC(C)(C)C(C)C 187621607 RKLFTGDJJRWAGO-UHFFFAOYSA-N 237.387 3.553 30 20 BHED C=CCCN[C@H]1CCC[C@H]1Cc1ccccc1 191889757 KMDDAFDXGHHMSC-HOTGVXAUSA-N 229.367 3.564 30 20 BHED C=CCCCC(=O)Oc1c(C)cccc1C 212249069 AMJQSFHVMIQDNF-UHFFFAOYSA-N 218.296 3.565 30 20 BHED C=C(C)COc1ccc(Cl)c2cccnc12 222285850 HOOHCWYWJIKYSF-UHFFFAOYSA-N 233.698 3.843 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 248888368 YEUUWSKLSLCMRO-UMVBOHGHSA-N 237.387 3.626 30 20 BHED N#C[C@H]1CC[C@H](Sc2ccccc2F)C1 278510244 DYZTWJWUVZSSCS-UWVGGRQHSA-N 221.300 3.610 30 20 BHED C=C(C)CN(Cc1ccccc1)[C@@H](C)C1CC1 302838605 SBKKHGNWKNYLIS-AWEZNQCLSA-N 229.367 3.863 30 20 BHED C[C@H]1CCC[C@@H](COc2ccccc2C#N)C1 305977008 QSESVVZSYJJWDW-QWHCGFSZSA-N 229.323 3.763 30 20 BHED C=CCCC[C@H](C)N[C@H]1CC=C(C)CC1 308822661 CMVLYOXFJJZQLR-KBPBESRZSA-N 207.361 3.820 30 20 BHED C=C(CC)CN[C@H](c1ccccc1)C(F)(F)F 313482168 MHTHDDSREFMBND-GFCCVEGCSA-N 243.272 3.846 30 20 BHED CC(C)CC[C@H](C)Nc1cccc(CC#N)c1 313487183 ZRNGKCPQZHTQDG-ZDUSSCGKSA-N 230.355 3.989 30 20 BHED C=CCCSCCCOc1cccc(C#N)c1 339090678 GAPODULMIQDRJS-UHFFFAOYSA-N 247.363 3.636 30 20 BHED N#Cc1cccc(CSCC2CCC2)c1F 340856471 QIIRNWKCGSADDC-UHFFFAOYSA-N 235.327 3.731 30 20 BHED CC(C)(CCC#N)CN[C@H]1C[C@@H]1C1CCCCC1 363264522 ODFMARAMPAIQFX-CABCVRRESA-N 248.414 3.875 30 20 BHED C=CCCC[C@H](C)N[C@H]1CS[C@@H](C(C)C)C1 381224808 JNVIJJSIBFGPNH-BFHYXJOUSA-N 241.444 3.851 30 20 BHED C[C@@H](SCCC#N)c1ccc(F)cc1F 413017113 XVIPTCIOHPFYEL-MRVPVSSYSA-N 227.279 3.673 30 20 BHED C[C@@H]1C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 424321679 HPZUUUOPYYBURE-IATRGZMQSA-N 240.350 3.517 30 20 BHED C=C(C)C(C)(C)C(=O)N1CC[C@@H](C)C2(CCC2)C1 424769561 UDTBRSLEAJPXLN-CYBMUJFWSA-N 249.398 3.627 30 20 BHED C=C[C@@H]1CCCCN1Cc1ccc(C)c(OC)c1 426560191 OWHSHJRAJHCOPE-OAHLLOKOSA-N 245.366 3.544 30 20 BHED CCCOc1ccccc1N[C@H]1CC[C@H](C#N)C1 442849276 BRARBLJVOVTWDS-STQMWFEESA-N 244.338 3.580 30 20 BHED C=CCC(C)(C)CNC(=O)c1c(C)cccc1C 490014424 QCEFPRKSKNNROC-UHFFFAOYSA-N 245.366 3.636 30 20 BHED C=CC1CCN(CCSc2ccccc2)CC1 522775629 MWBMVSSQNFXLML-UHFFFAOYSA-N 247.407 3.677 30 20 BHED C=CCC[C@H](C)NCc1ccc2[nH]c(C)cc2c1 556899207 YLOGCSVHLMJWNK-LBPRGKRZSA-N 242.366 3.921 30 20 BHED CCCC[C@@H](C)N(C)Cc1ccc(C#N)s1 574090694 VQPLFGLWPLNCRZ-LLVKDONJSA-N 236.384 3.630 30 20 BHED C[C@]12C[C@H]1CCC[C@@H]2Nc1cccc(C#N)c1 619724909 VMSILJPBNULFLW-SNPRPXQTSA-N 226.323 3.549 30 20 BHED C=C(C)CN(C)[C@@H](C)c1cc(C)c(OC)cc1C 682076976 NWPGHVFJMCVDGU-AWEZNQCLSA-N 247.382 3.881 30 20 BHED Cc1ccc(C=NNc2c(F)cccc2F)cc1 735614794 BQMZKIHBGILFKS-UHFFFAOYSA-N 246.260 3.719 30 20 BHED CC#CCCCC(=O)O[C@@H](CC)c1ccccc1 767121199 AFNVQFIXKIBXBY-HNNXBMFYSA-N 244.334 3.875 30 20 BHED C#CC[C@H](N[C@H]1CCC[C@@H]1C)c1ccccc1 773117029 SZCSNODIILXMFH-BPUTZDHNSA-N 227.351 3.529 30 20 BHED CC(C)C[C@H](C)C=NNc1ccccc1 799105290 SCNSNYUDHCARCT-LBPRGKRZSA-N 204.317 3.767 30 20 BHED C=CCOC(=O)[C@H](c1ccccc1)[C@@H](C)CC 807314840 FCGMBDIDJXBVNC-JSGCOSHPSA-N 232.323 3.546 30 20 BHED CC[C@@H](C)CON=Cc1cccc2cc[nH]c12 814937718 BSFRZSXDBAHZFF-LLVKDONJSA-N 230.311 3.565 30 20 BHED C=C[C@@H](C)ON=C[C@@H](OC(C)C)c1ccccc1 844623782 FPOIUYMAECFQIQ-UKRRQHHQSA-N 247.338 3.730 30 20 BHED C[C@@H](NN=Cc1ccc2cc[nH]c2c1)C(C)(C)C 863114658 PXKCETWXGXZMHD-LLVKDONJSA-N 243.354 3.526 30 20 BHED CC/C=C(/C)C(=O)Nc1sc(C)c(C)c1C#N 918551588 PNDDPHVLTWJSDF-VURMDHGXSA-N 248.351 3.531 30 20 BHED CC(=NN[C@H](C)c1ccccc1)c1cccs1 920386395 ZEPQBTHGNRNPGV-LLVKDONJSA-N 244.363 3.823 30 20 BHED CCCCCOC(=O)CC1(C#N)CCCCC1 1118478825 CSEIWGZGTDQBEC-UHFFFAOYSA-N 237.343 3.584 30 20 BHED C=CC[C@@H](c1ccccc1)c1nnc(C(C)C)o1 1331902756 UIZWTNUMGQGVDB-ZDUSSCGKSA-N 242.322 3.901 30 20 BHED C=C(CC)C(=O)Nc1cc(C)c(C)cc1Cl 1520213773 NRSJBAUCRLXYQH-UHFFFAOYSA-N 237.730 3.862 30 20 BHED C=C(Cl)CNc1ccc(C)cc1Cl 37488482 FSFIEKSKKQHOQY-UHFFFAOYSA-N 216.111 3.813 30 20 BHED CC[C@@H](Nc1ccc(C#N)cn1)C1CCCCC1 52341270 VEPOQXUQMGQZGZ-CQSZACIVSA-N 243.354 3.724 30 20 BHED N#Cc1ccc(CN2CCCCCC2)c(Cl)c1 59422219 GGSVFULPSIGHTB-UHFFFAOYSA-N 248.757 3.588 30 20 BHED C=CCCN[C@H](C)c1cccc(Cl)c1 70591797 CJXUMPPAVXTWIP-SNVBAGLBSA-N 209.720 3.567 30 20 BHED O=CCCCc1ccc(Cl)cc1Cl 70738979 GMMXICBSPNBGLM-UHFFFAOYSA-N 217.095 3.515 30 20 BHED N#CCCCN1CCCCC[C@H]1c1ccco1 78830682 STLYBWXCOIRBLA-ZDUSSCGKSA-N 232.327 3.500 30 20 BHED C[C@H]1CCCC[C@H]1CNCc1cc(C#N)cs1 93492543 LDQOGXXDEOQJRU-AAEUAGOBSA-N 248.395 3.536 30 20 BHED C=CCN(C(=O)CC1CCCC1)c1ccccc1 97008595 DWEVRXBSYWIXMS-UHFFFAOYSA-N 243.350 3.786 30 20 BHED C[C@@H](N[C@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 124976732 YTGRFKFJOYHXKC-DOMZBBRYSA-N 242.366 3.788 30 20 BHED CCCCCCCSc1nnc(C2CC2)[nH]1 125573772 YMMAZAJWKGIWBA-UHFFFAOYSA-N 239.388 3.745 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)Cc1cccs1 126742459 WWKQDQFXRFZSNB-NEPJUHHUSA-N 223.385 3.623 30 20 BHED N#Cc1ccc(CNC2CCCCCCC2)s1 135666511 AMRRTAWNGVBDBP-UHFFFAOYSA-N 248.395 3.822 30 20 BHED C=CCN(C)C(=O)Nc1ccc(C(C)(C)C)cc1 156070423 CIUVLZCPSCNPIR-UHFFFAOYSA-N 246.354 3.634 30 20 BHED Cc1cccc(NCc2cccc(C#N)c2)c1F 181132624 CMZUAFSUUZGZGJ-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=C(C)CN(C)C(=O)Nc1c(C)cccc1CC 181494662 BPRAFOUHFIPJPK-UHFFFAOYSA-N 246.354 3.597 30 20 BHED C[C@@H](Oc1cccc(F)c1)c1cccc(C#N)c1 190087478 OCSZNPOSUJZAGA-LLVKDONJSA-N 241.265 3.837 30 20 BHED CCCCCCCCNC(=O)[C@H](C)CC 196917095 VTYKNUDXHPOHIO-GFCCVEGCSA-N 213.365 3.509 30 20 BHED C#C[C@@H](CCC)NC(=O)C1(CC(C)C)CCCC1 233294701 PBLIBRIWFKVEAA-AWEZNQCLSA-N 249.398 3.511 30 20 BHED CC[C@@H](CC#N)NC[C@H](c1ccccc1)C(C)C 233869615 ODAZOWUWPZMMCQ-HOTGVXAUSA-N 244.382 3.708 30 20 BHED C[C@H](CCC(C)(C)C)N[C@@H]1CCC[C@@H](C#N)C1 248827567 MDGVOJGRZIEONN-MGPQQGTHSA-N 236.403 3.873 30 20 BHED Cc1ccc(/C=C\C(=O)c2cccnc2)cc1C 254972067 IZHRTTMDDYZZBI-FPLPWBNLSA-N 237.302 3.595 30 20 BHED C[C@@H]1CCC[C@H](CNc2cc(F)cc(C#N)c2)C1 300678718 DBYQGBLKWARKHQ-NEPJUHHUSA-N 246.329 3.936 30 20 BHED CC[C@@H](C)c1ccc(OCCO[C@H](C)C#N)cc1 310716330 NZIXFKKFRLDIRU-CHWSQXEVSA-N 247.338 3.508 30 20 BHED CCc1ccc(CNc2cccc(CC#N)c2)o1 313496659 QPNBVOYHXMHFBO-UHFFFAOYSA-N 240.306 3.520 30 20 BHED C[C@H]1CCC[C@H](C(O)=Nc2ncc(C3CC3)[nH]2)C1 329475378 SYLIVKFTZXAJDU-ONGXEEELSA-N 247.342 3.701 30 20 BHED C=CC[C@@H](C)NCc1cscc1C(F)(F)F 336736723 IZFXLLNLZIFTKV-MRVPVSSYSA-N 249.301 3.821 30 20 BHED C[C@H]1CN(CC(C)(C)CCC#N)CC(C)(C)C1 346339312 SBBIHILLRCLRRB-CYBMUJFWSA-N 236.403 3.684 30 20 BHED Cc1ccc([C@@H](NCCCC#N)C2CCCC2)o1 349720036 IEXOJZCTBPFWLV-HNNXBMFYSA-N 246.354 3.713 30 20 BHED C[C@H]1CCC[C@@H](C)N(Cc2cccc(C#N)c2)C1 353880151 JDMWPVXEWRINBL-UONOGXRCSA-N 242.366 3.569 30 20 BHED C=C(CN[C@@H]1CCC[C@H]1CC)c1ccccc1 388586379 IJIUJGHLDFBFEM-GDBMZVCRSA-N 229.367 3.868 30 20 BHED CCC[C@H](C)N(C)CC#Cc1ccc(Cl)cc1 426387385 ABJNRQNUANLHRC-ZDUSSCGKSA-N 249.785 3.812 30 20 BHED N#C[C@@H]1CC[C@H](Sc2cc(F)ccc2F)C1 430107715 XXDWCZDKYQUQPM-SCZZXKLOSA-N 239.290 3.749 30 20 BHED C=CCC1(C(=O)N2CC[C@H]2C(C)C)CCCCC1 450633770 CKWWJDANKUMEQK-AWEZNQCLSA-N 249.398 3.770 30 20 BHED Cc1ccccc1C(C)(C)NCC1(C#N)CCC1 451074671 XQFIDKMZYTYZTL-UHFFFAOYSA-N 242.366 3.514 30 20 BHED C=CCC(C)(C)CNC(=O)[C@H]1CCC[C@H]1CC 452141700 VSORAEACQWQCCO-OLZOCXBDSA-N 237.387 3.531 30 20 BHED CN(CCCC(C)(C)C#N)[C@@H]1CCC(C)(C)C1 483100031 GBSMYZYKNCUXBO-CYBMUJFWSA-N 236.403 3.827 30 20 BHED C=C[C@H]1CCCCN1Cc1cc(C)ccc1OC 489436455 NANGNBJHVDNNJM-HNNXBMFYSA-N 245.366 3.544 30 20 BHED CCCC[C@@H](C)N(CCCC)CCCC#N 550370672 UMIPMXNGJWYDDV-CQSZACIVSA-N 224.392 3.971 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)C[C@@H]1CCCO1 557384692 CXVBOWGVZZYBCU-ZNMIVQPWSA-N 239.403 3.669 30 20 BHED C[C@@H](CCC#N)N1CC[C@@H]1c1ccc(Cl)cc1 591015745 OCPHEVQIEAEJRW-SMDDNHRTSA-N 248.757 3.779 30 20 BHED CCC(CC)N(CC)CCc1ccc(C#N)cc1 595488684 IIILPDZHAGRCLT-UHFFFAOYSA-N 244.382 3.611 30 20 BHED C[C@@H](CC#N)NC1c2ccccc2-c2ccccc21 609030790 KFQIERGOFUPBCO-LBPRGKRZSA-N 248.329 3.648 30 20 BHED C#C[C@H](NC(=O)CCCCCCC)C(C)(C)C 702250101 DZSYMOCUTUEFSH-ZDUSSCGKSA-N 237.387 3.511 30 20 BHED C=CCCC(CC)=NNc1ccc(Cl)nc1 743451115 ZYLWJDLTCBYEPY-UHFFFAOYSA-N 237.734 3.879 30 20 BHED FC(F)CON=C1CCC[C@@H]1c1ccccc1 758899000 BUKDDTVJUISENY-LLVKDONJSA-N 239.265 3.592 30 20 BHED C#CCC1(C(=O)NCC(C)(C)CC)CCCCC1 759359878 KETSCBXULICMJS-UHFFFAOYSA-N 249.398 3.513 30 20 BHED CCCCCCCC(=O)N1CC[C@@H]1C(C)C 775899647 BDEMFTCVFCFPQW-CYBMUJFWSA-N 225.376 3.604 30 20 BHED C#C[C@H](CCC)NC(=O)[C@H](CC)CCCCC 791197446 NLSYUJWYJVWCHP-ZIAGYGMSSA-N 237.387 3.511 30 20 BHED CCC(=NNc1ccccn1)c1cccc(C)c1 794870434 NBTQGOVAHXNDQF-UHFFFAOYSA-N 239.322 3.616 30 20 BHED CCCCC(CC)=NNc1ncccc1F 794990721 NTCVXCDHONGATL-UHFFFAOYSA-N 223.295 3.589 30 20 BHED C#CCCCN1C[C@H](C)CC[C@@H]1c1ccccc1 796434460 LUGIKOPQAFQGKW-NVXWUHKLSA-N 241.378 3.873 30 20 BHED C=CCCOC(=O)CC1CC(c2ccccc2)C1 798734088 GUXDVJBTLCKNPF-UHFFFAOYSA-N 244.334 3.690 30 20 BHED C=CCCC(=NOCCC1CC1)C1CC1 814246162 FDDRMWJLONSHNL-UHFFFAOYSA-N 207.317 3.535 30 20 BHED C=C(CC)CN[C@@H](C)c1ccc(Cl)cc1O 841758842 VJQRTCUDFGKBCX-JTQLQIEISA-N 239.746 3.662 30 20 BHED FC(F)(F)[C@H]1CCC[C@H](C=NOCC2CC2)C1 853348941 NHUMTCPJKDRJBL-QWRGUYRKSA-N 249.276 3.768 30 20 BHED C[C@H]1C[C@H]1C=NNc1cccc(F)c1Cl 863158809 RQQSUZUHOIXVFB-YUMQZZPRSA-N 226.682 3.533 30 20 BHED CC(C)(C)SCOc1ccc(C#N)cc1F 871661113 IOWWCGSMAIMGHX-UHFFFAOYSA-N 239.315 3.565 30 20 BHED C=CC(C)(C)CC(=O)Nc1cc(C)ccc1OC 877962477 LXLOMMSWBSQVAU-UHFFFAOYSA-N 247.338 3.544 30 20 BHED CCCCCCC[C@H](C)CNC(=O)[C@H]1C[C@H]1C 917872980 SNJUXHKKUHXHDO-MJBXVCDLSA-N 239.403 3.755 30 20 BHED N#CC1(CS[C@@H]2CCc3c(F)cccc32)CC1 1320647540 BNUXVBHWTWSOPW-CYBMUJFWSA-N 247.338 3.850 30 20 BHED C=CCN[C@@H](C)c1cc(F)c(Cl)cc1Cl 35045292 FWOSRRUKBZMKLJ-ZETCQYMHSA-N 248.128 3.969 30 20 BHED CC[C@H](C)C[C@H](C)Nc1cccc(F)c1C#N 90795431 UYYQZLYJNHRDLH-QWRGUYRKSA-N 234.318 3.934 30 20 BHED C=CCN[C@@H](c1ccccc1)C(C)(C)C 97079238 ALPXUWQAELGYPE-ZDUSSCGKSA-N 203.329 3.549 30 20 BHED C=CCC(CC=C)C(=O)N1C[C@H](C)CCC[C@H]1C 150858700 YDHBLYHOMRBGBO-ZIAGYGMSSA-N 249.398 3.792 30 20 BHED C=CCCN[C@@H](C)c1ccc(C(F)(F)F)cc1 163895449 MMVAKRUMURSVTF-JTQLQIEISA-N 243.272 3.932 30 20 BHED CC#CCCNC1CCC(c2ccccc2)CC1 166301814 XNEZCMSDRTVNKX-UHFFFAOYSA-N 241.378 3.716 30 20 BHED C=CCCCN[C@@H](C)c1cccc(OCC)c1 180704024 OZRMKTHFCVNPSJ-ZDUSSCGKSA-N 233.355 3.702 30 20 BHED C[C@@H](CCC#N)SCc1ccccc1 188210417 ZZGAAPPWDFYMRN-NSHDSACASA-N 205.326 3.612 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CCCC(C)(C)CC1 188452589 GYABUXSJDUVYHH-HNNXBMFYSA-N 237.387 3.627 30 20 BHED CCCCCCCO[C@H]1CCCc2c[nH]nc21 190169269 ZKEYLOJKQKYUIF-ZDUSSCGKSA-N 236.359 3.774 30 20 BHED CCC(CC)(CC)NCc1ccc(C#N)c(F)c1 192110808 WNAFJKYUSMKNBC-UHFFFAOYSA-N 248.345 3.756 30 20 BHED C[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H](C#N)C2)CC1 193332778 TYHMZMOREXWMDR-CBBWQLFWSA-N 234.387 3.627 30 20 BHED C=CCC[C@@H](C)Nc1ccc(COC)cc1 193418284 LYNLNKULRAYIAW-GFCCVEGCSA-N 219.328 3.600 30 20 BHED CC[C@@H](NCCCCC#N)c1cccc(C)c1 285964712 GUIRWUTZRYUUBM-OAHLLOKOSA-N 230.355 3.730 30 20 BHED CCCCCCCN[C@@H]1CC[C@H]1C1CC1 389994074 PQJVGIYRMGPJKR-UONOGXRCSA-N 209.377 3.735 30 20 BHED C=C(C)CCNCc1ccc2nc(C)ccc2c1 395633396 FEBYYUWPKYGBDG-UHFFFAOYSA-N 240.350 3.599 30 20 BHED C=CC[C@H](C)N[C@@H](C)Cc1coc2ccccc12 449148973 LUKMBQHSONLMBF-STQMWFEESA-N 243.350 3.918 30 20 BHED N#CC1(COc2cccc(Cl)c2F)CCC1 450897372 APWDWNAYVXVCFR-UHFFFAOYSA-N 239.677 3.552 30 20 BHED C=CCC[C@H](CC)NCc1ccc(C)c(C)n1 459678364 VNJWKCBZFZTLKU-AWEZNQCLSA-N 232.371 3.533 30 20 BHED C=C(C)CCc1noc(-c2cc(C)cc(C)c2)n1 508672317 RTEMZMGOGAKUQD-UHFFFAOYSA-N 242.322 3.862 30 20 BHED C=CCCN1CCC[C@H](C(C)(C)C)CC1 525328486 ANLYJZBSFGUPBX-ZDUSSCGKSA-N 209.377 3.711 30 20 BHED CC#CCN[C@H](C)c1ccc(SC(C)C)cc1 538202406 MOSDMDRCHULZQI-CYBMUJFWSA-N 247.407 3.861 30 20 BHED C=CCCCCCN(C)C(=O)[C@H]1CC[C@@H](C)C1 540656700 RAUVVOIZITYRIP-KGLIPLIRSA-N 237.387 3.627 30 20 BHED C=CCC(C)(C)C(=O)N[C@H](C)C1CCCCC1 559983732 LFEMWDGZBRGGAY-GFCCVEGCSA-N 237.387 3.674 30 20 BHED C=CCCCCN1C[C@@H](C)C[C@H]1c1cccnc1 562703251 ZURITSBRTRMYQH-HOCLYGCPSA-N 244.382 3.821 30 20 BHED C[C@@H](N[C@@]1(C)CC1(C)C)c1ccc(C#N)cc1F 595105909 UHAOMDGJSLKTGR-BMIGLBTASA-N 246.329 3.537 30 20 BHED N#CCC1(COc2cc(F)cc(Cl)c2)CC1 600674629 FPXCRAKBYRBFBU-UHFFFAOYSA-N 239.677 3.552 30 20 BHED C=CC[C@H](C)Nc1nc(C(C)(C)C)ccc1C#N 613426958 UILJPIMCLBEJGQ-NSHDSACASA-N 243.354 3.627 30 20 BHED C=CCCC(C)(C)NCc1cnc(CC)s1 657805943 XZNUYERIDRSGJC-UHFFFAOYSA-N 238.400 3.540 30 20 BHED c1ccc(CC(=NNC2CCCC2)C2CC2)cc1 729145477 RCMIOHBZKQHNPJ-UHFFFAOYSA-N 242.366 3.527 30 20 BHED CCCCCCCCN(C)CC(F)F 740877097 ZFPAZUHDLOZRKE-UHFFFAOYSA-N 207.308 3.544 30 20 BHED CC(C)=CCCC(C)=NNc1cc(C)nc(C)n1 749157969 MMOSYQIAMDANEK-UHFFFAOYSA-N 246.358 3.628 30 20 BHED COc1cccc(NN=C2CCCC2(C)C)c1 749857807 FVGOPEZAEKGGKQ-UHFFFAOYSA-N 232.327 3.673 30 20 BHED C(=NOC1CCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2 777456872 IEYWTBDOIXVKGC-AVGNSLFASA-N 221.344 3.758 30 20 BHED CC(C)(C)CCNN=Cc1ccc(Cl)s1 782903282 TXFKMDHGPKDJOI-UHFFFAOYSA-N 244.791 3.761 30 20 BHED C=CCCN(C)C(=O)C[C@H](C)CCCCC 786222964 GLVZNMVDMBTHHH-CYBMUJFWSA-N 225.376 3.627 30 20 BHED C#CCC1(C(=O)Nc2ccsc2)CCCCC1 788231592 HDRVMRWPZLJRSK-UHFFFAOYSA-N 247.363 3.660 30 20 BHED Fc1ccccc1NN=C1CCC12CCCC2 788710387 XWZRPXLURUDRIB-UHFFFAOYSA-N 232.302 3.948 30 20 BHED C[C@H](CCON=C1CCC1)OCc1ccccc1 788787313 MEKFTDDVYBBPHW-CYBMUJFWSA-N 247.338 3.538 30 20 BHED CC(C)(C)CC(=NOC1CCC1)C1CC1 812236946 BFJTXPYAMHBPIA-UHFFFAOYSA-N 209.333 3.758 30 20 BHED CCC(Cc1ccc(C)cc1)=NOCC1CC1 814243791 NSUCCPBOWBVRCW-UHFFFAOYSA-N 231.339 3.730 30 20 BHED CC(C)CON=C1CS[C@@H](C(C)(C)C)C1 814883816 BWAXYHQHVNNFHZ-LLVKDONJSA-N 229.389 3.567 30 20 BHED CCCCCCCC(=O)N[C@@H]1CCC[C@H](F)C1 1327150858 OOVQSQBUIZHVNU-QWHCGFSZSA-N 243.366 3.744 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)C1CCC=CCC1 1339151244 BGPCCSZXZWQWCA-OAHLLOKOSA-N 247.382 3.690 30 20 BHED C=C(Cl)CN(CC)c1cccc(C)c1 1652727435 WUAQZHZVCRHSKF-UHFFFAOYSA-N 209.720 3.574 30 20 BHED CC(C)CC[C@@H]1CCCN1CC1(CC#N)CC1 1657782325 DIGUXFUZGZOENK-AWEZNQCLSA-N 234.387 3.581 30 20 BHED C=C(C)CN[C@H](C)c1cc(C)sc1C 47944009 KWXRJDQUQBHKID-SNVBAGLBSA-N 209.358 3.592 30 20 BHED C=C(C)CN(CC)Cc1ccc(SC)cc1 61758717 FPGATOPQXJDJPC-UHFFFAOYSA-N 235.396 3.807 30 20 BHED C=CCS[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 114757352 KJNDJKQLMAWWQC-LBPRGKRZSA-N 249.379 3.550 30 20 BHED C#CCCCCC(=O)N[C@H]1CCC(C)(C)C[C@@H]1C 119956049 JWJSOILQBTWODD-KBPBESRZSA-N 249.398 3.511 30 20 BHED CC1(C)CCCC[C@@H]1NCc1ccc(C#N)s1 124579254 MWLWFEVSRNYREO-ZDUSSCGKSA-N 248.395 3.678 30 20 BHED CSc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 185723199 SWWLSBMYTMUUNT-VXGBXAGGSA-N 246.379 3.903 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1csc(C(C)C)n1 186408431 JVCOFZBIIQUMSO-QWRGUYRKSA-N 238.400 3.882 30 20 BHED CC(C)(C#N)CCCSCC[C@@H]1CCCO1 190147778 BAFOMQDVCJPVKC-LBPRGKRZSA-N 241.400 3.619 30 20 BHED CC[C@H](C)CSCc1cc(C#N)ccc1F 229045780 BCIIFZKKWQIWFB-JTQLQIEISA-N 237.343 3.977 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1[C@@H](C)CCC[C@H]1C 246107062 OVNCKHRJQZZVAP-NHAGDIPZSA-N 249.398 3.696 30 20 BHED C[C@@H](C=NNc1ccccc1)c1ccccc1 254865431 LZJAAJGNOGEFKY-ZDUSSCGKSA-N 224.307 3.888 30 20 BHED C=C(C)CN(CC)[C@H](C)c1ccccc1 302749417 UUQILOLGJMIWPJ-CYBMUJFWSA-N 203.329 3.646 30 20 BHED CCC#C[C@@H](C)N[C@H](C)c1cc(C)sc1C 309653028 YHGXHSVTVBOWDH-ZYHUDNBSSA-N 235.396 3.817 30 20 BHED C=CCCCNc1cc(OC)c(C)cc1C 309838444 BVAJVGWPPKJFPC-UHFFFAOYSA-N 219.328 3.690 30 20 BHED CCN(CCCCC(C)(C)C#N)C1CCC1 336666939 MAGGNJGWRQPELU-UHFFFAOYSA-N 222.376 3.581 30 20 BHED C=CCC1(c2nc(-c3cccs3)no2)CCC1 345672739 RZWDFPGOSIHZJV-UHFFFAOYSA-N 246.335 3.796 30 20 BHED C=CCCC1(C(=O)NC2CCC(C)(C)CC2)CC1 356202601 KONIBKKLAAHEBF-UHFFFAOYSA-N 249.398 3.818 30 20 BHED C=CCCCCN[C@H](C)c1cc(C)ccc1O 383364851 USJBWEGITWBBJG-CYBMUJFWSA-N 233.355 3.708 30 20 BHED C=CC(C)(C)CN[C@H](C)c1cc(C)oc1C 385134338 HMTHXHLNOGDDPM-LLVKDONJSA-N 221.344 3.759 30 20 BHED Cc1cccc(C)c1[C@H](C)N[C@H](C)CCC#N 411526600 MJWNJNHXQMVPBN-KGLIPLIRSA-N 230.355 3.646 30 20 BHED C=CCCCCCNc1cccc2c1OCCO2 447403898 HHVBCTHIMOUDFA-UHFFFAOYSA-N 247.338 3.616 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 474091636 YQXOAXNIOYELSA-BFHYXJOUSA-N 249.398 3.674 30 20 BHED C=CCCCC(=O)N1CCC[C@H](C(C)(C)C)C1 478442663 BTDUNZWXVOYJCN-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C=CCCCCN[C@H](C)[C@H](OC)c1ccccc1 494786642 GGFDWUNXEPDAPG-ZBFHGGJFSA-N 247.382 3.709 30 20 BHED C=CCSCc1csc(CCCC)n1 522282446 GOLLQOFGXNSOJD-UHFFFAOYSA-N 227.398 3.905 30 20 BHED C=CC1CCN(CCc2ccccc2Cl)CC1 523606612 HWUSWBBFULVDFA-UHFFFAOYSA-N 249.785 3.781 30 20 BHED C=CCCc1csc(-c2ccc(OC)cc2)n1 535592998 KKPRJQHPUBEWEK-UHFFFAOYSA-N 245.347 3.937 30 20 BHED CC[C@H](C#N)Sc1ccc(Cl)c(F)c1 593436364 FSADJVLZVCTAEH-SSDOTTSWSA-N 229.707 3.873 30 20 BHED C=CCC1(NCc2ccc(C#N)cc2)CCCC1 594987510 LBSWXYKCFKJONA-UHFFFAOYSA-N 240.350 3.537 30 20 BHED C=CCN(CC=C(C)C)Cc1ccc(OC)cc1 614352958 WRLVUGHYXWLQSZ-UHFFFAOYSA-N 245.366 3.649 30 20 BHED C=CCCN[C@H](C)c1cc2ccncc2s1 658113671 IGHRKWQSPCEADE-SNVBAGLBSA-N 232.352 3.523 30 20 BHED C[C@H]1CCC[C@H](C=Nn2cnc3ccccc32)C1 768354167 FUBAHYCMJBKFFT-STQMWFEESA-N 241.338 3.697 30 20 BHED CC(C)(C)CCNN=Cc1c[nH]c2ccccc12 782906905 GKDMBADSVYZJCC-UHFFFAOYSA-N 243.354 3.528 30 20 BHED C=CCCN(C)C(=O)CCCCCCCC 786224605 YSMWNSHHKZFRCJ-UHFFFAOYSA-N 225.376 3.772 30 20 BHED C[C@@H]1CC(=NN[C@@H](C)C(C)(C)C)C[C@H](C)C1 793111801 LWTSBTYSAXGIFZ-TUAOUCFPSA-N 224.392 3.823 30 20 BHED CC[C@H]1C[C@H](C)CCC1=NOCCOC(C)C 812240177 JMVPZXKYNCCVLE-OLZOCXBDSA-N 241.375 3.630 30 20 BHED C=CCC(C)(C)C(=O)N1CCCCCCCC1 836920898 RJWWYBJTKSDSPS-UHFFFAOYSA-N 237.387 3.772 30 20 BHED N#CC1(COC(=O)CCC2CCCCCC2)CC1 847709205 QRGNBMKJJPGPFV-UHFFFAOYSA-N 249.354 3.584 30 20 BHED CCCCCSc1nc(C#N)c(Cl)s1 853469119 FPPAGYZFWDDNIA-UHFFFAOYSA-N 246.788 3.950 30 20 BHED C=C(Cl)CS[C@H](C)c1ncc(C)o1 853784057 WLSGOAPRIPKKAC-MRVPVSSYSA-N 217.721 3.530 30 20 BHED Cc1ccc(NN=Cc2cccc(C)c2)cc1 916250793 WKIHYVVMIWIZBZ-UHFFFAOYSA-N 224.307 3.749 30 20 BHED CC(=NNc1ncc(Cl)cc1Cl)C(C)C 916316586 DZZDPEMDMWXQLR-UHFFFAOYSA-N 246.141 3.832 30 20 BHED CCCn1cccc1C=NNc1ccc(C)cc1 918151412 SLXIIIBYJFGWQN-UHFFFAOYSA-N 241.338 3.653 30 20 BHED CC/C=C(\C)C(=O)Nc1sc(C)c(C)c1C#N 918551587 PNDDPHVLTWJSDF-SOFGYWHQSA-N 248.351 3.531 30 20 BHED CN(CCCCC1(C#N)CCC1)Cc1ccco1 929140307 XNAPJGZZSBOCGW-UHFFFAOYSA-N 246.354 3.576 30 20 BHED C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)c1ccccc1 929530886 PZEQJRMZQBZIBZ-KBPBESRZSA-N 245.366 3.808 30 20 BHED C[C@H](c1ccccc1)[C@H]1CCCN1CCCC#N 932276920 YHFDPPBVRAARNR-GDBMZVCRSA-N 242.366 3.558 30 20 BHED Cc1ccc(-c2ccc(OCC#N)cc2)cc1 5814802 PKJVYJCHQFEGRT-UHFFFAOYSA-N 223.275 3.564 30 20 BHED CC[C@@H](C)CN[C@H](CCC#N)c1ccccc1 93109622 FADCLCYKNUSZDZ-UKRRQHHQSA-N 230.355 3.667 30 20 BHED C/C=C/CSCc1ccc(F)cc1C#N 108414678 YPHZPOPDQHZVJS-NSCUHMNNSA-N 221.300 3.507 30 20 BHED N#CCCCCN1CCCC2(CCCCC2)C1 111323971 JCHOAJMQRYAENH-UHFFFAOYSA-N 234.387 3.727 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc(F)cc1Cl 119325788 BSWCQIWZTHSCCQ-BDAKNGLRSA-N 227.710 3.704 30 20 BHED C=C(Cl)CN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 161732935 YZSGKEWVPBJFGK-YNEHKIRRSA-N 227.779 3.687 30 20 BHED C=C(C)CCN[C@H]1CCCc2ccccc21 168960253 ILEVTJDZBRTQMD-HNNXBMFYSA-N 215.340 3.620 30 20 BHED C=C(C)C[C@H](C)C(=O)N1CCC[C@H]2CCCC[C@@H]21 184958153 GQPIGJBJZPVROV-ZNMIVQPWSA-N 249.398 3.770 30 20 BHED C[C@H](CCC(C)(C)C)N[C@@H]1CCC[C@H](C#N)C1 185839037 MDGVOJGRZIEONN-HZSPNIEDSA-N 236.403 3.873 30 20 BHED CCCCCCC[C@H](C)N[C@H]1CC[C@H](O)CC1 252916939 WLKYRTPCILCBSC-KKUMJFAQSA-N 241.419 3.629 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccc(Cl)nc1 281801405 YIOBXEPIMKRUDU-PWSUYJOCSA-N 238.762 3.740 30 20 BHED C=CCCSc1nc2cc(F)c(F)cc2[nH]1 303879236 YIEQMXAZSQCRJN-UHFFFAOYSA-N 240.278 3.509 30 20 BHED N#Cc1ccc(Cl)cc1N[C@H]1CC[C@@H](F)C1 309576803 PATVPJVPOBZJAD-MNOVXSKESA-N 238.693 3.514 30 20 BHED CCCCCCNc1ncc(C#N)cc1Cl 309623013 FAKYCUVSPLBOBP-UHFFFAOYSA-N 237.734 3.599 30 20 BHED CSc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 336585022 QMFFQAIMYDSXQZ-ZYHUDNBSSA-N 232.352 3.513 30 20 BHED Cc1nc(NCCC2(C)CC2)c(Cl)cc1C#N 360046105 FVJZWFDWDHGYKI-UHFFFAOYSA-N 249.745 3.517 30 20 BHED C=CCC[C@@H](N[C@@H]1C[C@H]1C1CCC1)C1CC1 424321152 GTMICBMTIHBCGV-RRFJBIMHSA-N 219.372 3.509 30 20 BHED C=CCC1(C(=O)N2CC[C@@H](C)C[C@H]2C)CCCC1 425035768 JZFZTRXVLLYTMN-ZIAGYGMSSA-N 249.398 3.770 30 20 BHED CCc1ccc([C@H](C)NCC2(CC#N)CC2)s1 430755408 QKMUAGNJHYOXIB-NSHDSACASA-N 248.395 3.655 30 20 BHED C=C(CC)CN(C)Cc1ccc(F)c(C)c1 444745300 UHFLDSGDNFXLSE-UHFFFAOYSA-N 221.319 3.532 30 20 BHED CC#CCCN1CCC[C@@H](c2ccccc2)CC1 462328314 SRCQXDWDSNGJGE-QGZVFWFLSA-N 241.378 3.670 30 20 BHED C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC[C@H]1C 467948866 MHQVBZSXVCJVQT-UMVBOHGHSA-N 237.387 3.531 30 20 BHED N#Cc1cccc(S[C@H]2C=CCCC2)c1 468652114 GFNSLDXEPFHIER-LBPRGKRZSA-N 215.321 3.759 30 20 BHED CCCN(CC#N)Cc1ccc(C2CCC2)cc1 507733989 UVODAMSKKWRUEB-UHFFFAOYSA-N 242.366 3.690 30 20 BHED C=CCCCCCSC[C@@H]1CCCOC1 516945594 WDWLUYPPAQITLK-CYBMUJFWSA-N 228.401 3.893 30 20 BHED C=CCC(C)(C)C(=O)N1CCC(CC)(CC)C1 519776047 YRMDWYAHMKMDTN-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=C(CC)CN(C)[C@@H](C)c1cccs1 539094685 AFUYOFRMLYVQET-NSHDSACASA-N 209.358 3.707 30 20 BHED C=CCCN1CCCC2(CCCCC2)C1 563463935 WPZIOXTWZZHBMM-UHFFFAOYSA-N 207.361 3.609 30 20 BHED Cc1cncc(C(=O)/C=C\c2ccc(C)s2)c1 588476580 RHVZQCNMURBTDI-WAYWQWQTSA-N 243.331 3.656 30 20 BHED C=CCCN(CC=C)CC1CCCCC1 606897357 BVAZFSSNUCFVDX-UHFFFAOYSA-N 207.361 3.631 30 20 BHED C=CCC(C)(C)C(=O)Nc1cc(C)cc(C)c1O 634241548 HWTSNRFCEIGERJ-UHFFFAOYSA-N 247.338 3.550 30 20 BHED C=CCNC(=O)Nc1ccc(CCCCC)cc1 642440293 JFXHXTXKLZVPEW-UHFFFAOYSA-N 246.354 3.727 30 20 BHED N#Cc1cc(Cl)ccc1NCCCC(F)F 702380518 HUXNAQDWIVVCMQ-UHFFFAOYSA-N 244.672 3.669 30 20 BHED CCc1ccccc1NN=C(C)c1cncs1 734745497 IIFVYTDERGLSAI-UHFFFAOYSA-N 245.351 3.542 30 20 BHED C#CCCCCc1nc([C@@H]2CCC[C@H](C)C2)no1 761797289 WFDUBGUXOFUQBI-QWHCGFSZSA-N 246.354 3.709 30 20 BHED Cc1cccc(F)c1NN=Cc1ccsc1 769827527 BZQMGNGLSLBLQY-UHFFFAOYSA-N 234.299 3.642 30 20 BHED C=CCN(C(=O)CCCCCCCC)C1CC1 771819577 UBVUXVDMRZEQBW-UHFFFAOYSA-N 237.387 3.914 30 20 BHED Cc1ccc(NN=C2CCC(C)(C)C2)cc1 783773187 PNAVIFXQYHVTDH-UHFFFAOYSA-N 216.328 3.973 30 20 BHED Cc1ccc(C)c(NN=C2CCC2(C)C)c1 788974828 IPDLQUMSUVXVNV-UHFFFAOYSA-N 216.328 3.891 30 20 BHED C[C@H](NN=C1CCC1(C)C)c1ccccc1 789000479 NBVHDIXPNMQCBI-NSHDSACASA-N 216.328 3.513 30 20 BHED Clc1cccc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)n1 793162452 SLPHOTYCJKGIQT-DCAQKATOSA-N 249.745 3.569 30 20 BHED C[C@H]1CCC(=NNCC2CCCC2)[C@@H](C)C1 808006064 OBVGJBPKLSTRHS-RYUDHWBXSA-N 222.376 3.578 30 20 BHED C#Cc1ccc(CNc2ccc(F)c(C)c2)cc1 809597776 XWYASXCTYGVARN-UHFFFAOYSA-N 239.293 3.728 30 20 BHED Cl/C=C\CON=C1CC[C@H]1c1ccccc1 811669360 DIPPLAKKWWPXQL-GXCVZGSMSA-N 235.714 3.689 30 20 BHED C=CCCCCC(C)=NNc1ncccc1C 834975120 XPLHINMDVFRWPC-UHFFFAOYSA-N 231.343 3.924 30 20 BHED CCCC(=NOCc1cccnc1)[C@@H]1CC1(C)C 841633636 QYDYECQKSXLWBF-ZDUSSCGKSA-N 246.354 3.800 30 20 BHED CCN(CCC#N)Cc1ccccc1C(C)C 848880400 HFCOTJZRTKYOKN-UHFFFAOYSA-N 230.355 3.546 30 20 BHED C#CCN(CCC)[C@@H](C)c1cc2ccccc2o1 919723769 IVMZMUWYSJNMTG-ZDUSSCGKSA-N 241.334 3.839 30 20 BHED CC(C)(C)CCN1CCCc2cc(C#N)ccc21 1170662302 ZVJQWNLJKTZMSR-UHFFFAOYSA-N 242.366 3.747 30 20 BHED C=C(Cl)CN(C)C[C@H](C)C1CCCCC1 1175238279 JDDCFVKXXVDZRJ-NSHDSACASA-N 229.795 3.887 30 20 BHED CCN(CCC1CCCCCC1)[C@@H](C)C#N 1560024696 QLFUUOWAXRUKIO-ZDUSSCGKSA-N 222.376 3.581 30 20 BHED C=C(Cl)CN(C)[C@H]1CCC[C@@H]1C(C)(C)C 1654774264 CCPWTACOZUEPGQ-RYUDHWBXSA-N 229.795 3.886 30 20 BHED C=C[C@@H](O)c1cccc(Oc2ccccc2)c1 39349510 KJZKHJGMDINZHI-OAHLLOKOSA-N 226.275 3.698 30 20 BHED C[C@H](c1ccccc1)N(CC#N)C1CCCC1 80214999 IBWGUABHDUKIHL-CYBMUJFWSA-N 228.339 3.516 30 20 BHED Oc1ccccc1/C=N\C1CCCCCC1 103010602 KYNHLFPSFFHTER-PTNGSMBKSA-N 217.312 3.534 30 20 BHED C=CC[C@H](C)N[C@@H]1CCc2ccc(C)cc21 161653372 XQCURIFTRWJSBW-SWLSCSKDSA-N 215.340 3.537 30 20 BHED N#C[C@@H]1CCC[C@@H](NCc2ccc(Cl)cc2)C1 185763949 GQSSGPOCFJJBKH-TZMCWYRMSA-N 248.757 3.512 30 20 BHED CC[C@H](C#N)SCc1ccccc1Cl 188276536 MGWBUXSBJOZTGY-SNVBAGLBSA-N 225.744 3.875 30 20 BHED C=C[C@@](C)(CC)C(=O)NC[C@H](C)c1ccccc1 276087374 TWJQFJIKCKAKIH-BBRMVZONSA-N 245.366 3.509 30 20 BHED C=C(C)CN1CCC[C@H](c2ccccc2)CC1 303224539 WBWIIXVUHNYEDE-INIZCTEOSA-N 229.367 3.832 30 20 BHED C=C(Br)CN1CCCCCCCC1 307092715 BLZSOOMRYYSLIX-UHFFFAOYSA-N 246.192 3.551 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccccc1F 310014558 KINKPHZJAWCFGJ-NWDGAFQWSA-N 221.319 3.831 30 20 BHED C/C=C/CSCc1ccc(CC#N)cc1 342576054 VRTYRFAZKFAXAD-NSCUHMNNSA-N 217.337 3.562 30 20 BHED C=CC[C@@H](CC)N[C@H](CC)Cc1ccccc1 393805181 PSYBNJKNGZDDJE-HZPDHXFCSA-N 231.383 3.952 30 20 BHED C[C@@H](CCC#N)N(C)CCC1CCCCC1 411229165 SRNGNVCKPIPNRR-ZDUSSCGKSA-N 222.376 3.581 30 20 BHED C=CCCC(=O)Nc1ccc(C)cc1SC 413892283 IVZMOKIRAUXHJP-UHFFFAOYSA-N 235.352 3.622 30 20 BHED C=CCc1cccc(F)c1OCCC(C)(F)F 424099555 JBQLOOBVINHBJU-UHFFFAOYSA-N 244.256 3.978 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@H]1CCCC[C@H]1C 424608632 AZEUVLNGOKCNBD-CHWSQXEVSA-N 237.387 3.531 30 20 BHED C=CCc1cc(C)cc(OC)c1OCC1CC1 438296915 AFWMJWVQSPLIFB-UHFFFAOYSA-N 232.323 3.521 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H]1CCC[C@H]1CC 450420722 CSCQCXTTYGUFOZ-MJBXVCDLSA-N 237.387 3.674 30 20 BHED C=C(C)CCNC(=O)[C@@H](CC)CC1CCCC1 452715439 CTJCPYVJQPKCJG-AWEZNQCLSA-N 237.387 3.675 30 20 BHED N#Cc1ccc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 462912362 QSQAYGYYVFGKCS-IIAWOOMASA-N 240.350 3.939 30 20 BHED C=CCC(CC=C)C(=O)N[C@H](CC)C(C)(C)C 467531750 MHDXUAOLHBQJHQ-CYBMUJFWSA-N 237.387 3.696 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc2ccoc2c1 467902875 XSFKERCDVMPUFR-OAHLLOKOSA-N 243.306 3.974 30 20 BHED C=CCN(Cc1ccc(F)cc1)C(C)(C)C 474160235 URHLRVPSRISMGM-UHFFFAOYSA-N 221.319 3.612 30 20 BHED C=CCCC[C@@H](C)NC(=O)C1(CCC=C)CC1 476562830 QQTQBUCENMQKSQ-CYBMUJFWSA-N 235.371 3.594 30 20 BHED C=CCOCCCOc1c(C)cccc1Cl 478779578 CDMYLWWUFYDCMQ-UHFFFAOYSA-N 240.730 3.620 30 20 BHED C=CC[C@@H](C)NC(=O)N[C@H](CCC)CCCC 483989796 WJRCIVGYFCZMJZ-CHWSQXEVSA-N 240.391 3.609 30 20 BHED C=C(C)CCn1cc(-c2ccccc2)cn1 505522240 ZVOOXNZLAHNUFJ-UHFFFAOYSA-N 212.296 3.516 30 20 BHED C=CCN(CC=C)Cc1cc2cc(F)ccc2o1 505892193 YEDOMFBVMVRFJO-UHFFFAOYSA-N 245.297 3.746 30 20 BHED C=CCN(CC=C)CCC1=CCCCC1 507411013 ZZVPNQNKHIYZGC-UHFFFAOYSA-N 205.345 3.551 30 20 BHED C=CCCN1CCC[C@@]1(C)Cc1ccccc1 547347690 GYEMBIRMZWJHIT-INIZCTEOSA-N 229.367 3.660 30 20 BHED C=CCCN(C)[C@H](CC)c1ccccc1OC 553991939 NQIPXAXPWNTMDI-CQSZACIVSA-N 233.355 3.654 30 20 BHED C=CCCCCNc1cccc(CC#N)c1 560343841 MBBAZPATRLXODL-UHFFFAOYSA-N 214.312 3.521 30 20 BHED CCC(CC)(CC)NC(=O)CCCCCC#N 588932829 VZOSOGSEVSNLHX-UHFFFAOYSA-N 238.375 3.545 30 20 BHED CC[C@@H](C)CCN[C@@H](C)c1ccc(C#N)cc1F 595074665 SSLAXIUYCJMPPY-NEPJUHHUSA-N 248.345 3.784 30 20 BHED CC(C)c1cccc(CN(C)[C@H](C)CC#N)c1 595346357 VKFZKOVAOVMCGZ-CYBMUJFWSA-N 230.355 3.544 30 20 BHED C=CCCN(C)C(=O)c1cccc(C(C)(C)C)c1 653757871 GJIFYYQFWUKCJI-UHFFFAOYSA-N 245.366 3.632 30 20 BHED C=CCCC[C@@H](C)NC1CCC(OCC)CC1 657940533 JQKVJMUJSUVRAI-WLYUNCDWSA-N 239.403 3.669 30 20 BHED C=CCN(CC=C)C(=O)c1cccc(C(C)C)c1 665104373 BZFIDQGOESHNHB-UHFFFAOYSA-N 243.350 3.624 30 20 BHED Cc1ccc(NN=Cc2ccc(C)c(F)c2)cc1 731485960 KGHPONWGVFYFBN-UHFFFAOYSA-N 242.297 3.889 30 20 BHED CCCCCCCc1nc(CC(C)C)no1 731795884 HOCUTIBXGWGNBL-UHFFFAOYSA-N 224.348 3.781 30 20 BHED C=CCCCOC(=O)c1cc2cc(C)ccc2[nH]1 735526279 WNEWUHVXUXLQKE-UHFFFAOYSA-N 243.306 3.599 30 20 BHED C#CCCCC(=O)NC1CCC(CC)(CC)CC1 758077745 YOQYVFBWCQKLCR-UHFFFAOYSA-N 249.398 3.655 30 20 BHED CC(C)C1CCC(=NOCC(F)(F)F)CC1 764846992 KLXPXXIWOOSRIV-UHFFFAOYSA-N 237.265 3.768 30 20 BHED C[C@H]1C[C@@H]1C=NNc1c(F)cccc1Cl 769830244 XKHCPKNYVZZWCT-JGVFFNPUSA-N 226.682 3.533 30 20 BHED C#CCCCCCC(=O)N[C@H]1CCC[C@@H](CC)C1 779918084 QUFHGBCXEVANER-CABCVRRESA-N 249.398 3.655 30 20 BHED C=CCCCn1c(=O)ccc2ccc(Cl)cc21 786893177 FDQKIYUYBONLKM-UHFFFAOYSA-N 247.725 3.621 30 20 BHED COC1(C=NOC2CCCCC2)CCCCC1 790176135 NJBGNTCYSPPIMJ-UHFFFAOYSA-N 239.359 3.671 30 20 BHED CC[C@H](C)NN=Cc1cccc(Cl)c1Cl 790182808 LHMJQTMVNQUUIH-QMMMGPOBSA-N 245.153 3.715 30 20 BHED CC[C@@H]1C[C@@H](C)CCC1=NNc1ncccc1F 794992768 DBAHICRIWIREEX-WDEREUQCSA-N 249.333 3.835 30 20 BHED C=C(C)COC(=O)c1sccc1C(C)C 919731370 WIMZRFRWZVIRAD-UHFFFAOYSA-N 224.325 3.604 30 20 BHED CC(C)[C@H](C)N(C)CCCCC1(C#N)CCC1 929200456 IOGIUSUIWVOJTC-AWEZNQCLSA-N 236.403 3.827 30 20 BHED C=C(Cl)CS[C@H](COC)c1ccccc1 1307404641 HDCJSFAEXQXEEN-GFCCVEGCSA-N 242.771 3.860 30 20 BHED C[C@@H](c1cc2ccccc2o1)N(C)CCCC#N 44089878 PYBHJAHQTPXTNA-LBPRGKRZSA-N 242.322 3.729 30 20 BHED Cc1ccccc1CSCCCCC#N 54964094 JXZHSFJIWQXDCC-UHFFFAOYSA-N 219.353 3.922 30 20 BHED C[C@@H](c1ccc(C(C)(C)C)cc1)N(C)CCC#N 83219187 SLXRGATYQJTMJW-ZDUSSCGKSA-N 244.382 3.891 30 20 BHED C=CC[C@H](C)N[C@H](CC)c1ccc(F)cc1 125235520 IPURWKLBOKPRRB-SMDDNHRTSA-N 221.319 3.831 30 20 BHED CC[C@@H](CC#N)N[C@@H]1CCc2cc(Cl)ccc21 127463223 LQFMMTMWZAZTMS-GXTWGEPZSA-N 248.757 3.609 30 20 BHED C=CC[C@@H](C)NCc1cccc(Cl)c1F 131134894 MCGPOHKDYSOOTE-SECBINFHSA-N 227.710 3.533 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1ccco1 133084783 SPOJOKMRLJHALY-NEPJUHHUSA-N 207.317 3.675 30 20 BHED C=CC[C@H](C)N[C@@H]1CCC[C@H](C2CC2)C1 161661243 HYCBRRJKFKXKDD-FPMFFAJLSA-N 207.361 3.509 30 20 BHED C=C(C)CSc1ccnc2ccccc12 171116117 FDDSGOOCSNCMJN-UHFFFAOYSA-N 215.321 3.903 30 20 BHED C=CC[C@H](C)N[C@@H](Cc1ccccc1)C1CC1 180946108 OCPBGIYPPDGXRB-BBRMVZONSA-N 229.367 3.562 30 20 BHED O=C(/C=C\c1c(F)cccc1F)c1ccccc1 220545120 GCCIUNUPHVRMEH-KTKRTIGZSA-N 244.240 3.861 30 20 BHED C=CCCON=C(C)c1cc2ccccc2o1 255570634 CLWJYRLXDBXMAV-UHFFFAOYSA-N 229.279 3.750 30 20 BHED CC(C)[C@@H](C)Sc1nc(Cl)c(C#N)s1 307516731 WDAWSMWSTRLCAN-ZCFIWIBFSA-N 246.788 3.805 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1csc(C)n1 336739238 LBSCGFMHHGSMSM-QWRGUYRKSA-N 238.400 3.847 30 20 BHED CC[C@@H](NCC1(CC#N)CC1)c1cccc(C)c1 353587840 JFRLWWSZIDPOGD-OAHLLOKOSA-N 242.366 3.730 30 20 BHED C=CC(C)(C)CNCc1cc2ccccc2o1 385001965 VVPWINYZBMTHLT-UHFFFAOYSA-N 229.323 3.735 30 20 BHED C=CCCCCCN[C@H](C)[C@@](C)(OC)C1CC1 411970656 NOROUBALWSFURL-UKRRQHHQSA-N 239.403 3.526 30 20 BHED C=CC(C)(C)C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 448718393 WWRYAMLBUSSHQR-WBMJQRKESA-N 249.398 3.626 30 20 BHED C=CCC[C@H](CCC)N[C@@H](CC)C(F)F 449364000 QUWXGJUYYKOZGI-QWRGUYRKSA-N 219.319 3.755 30 20 BHED C=CC(C)(C)c1nc([C@H](C)C(C)(C)C)no1 453120416 NJYOXZHSNPDPKX-VIFPVBQESA-N 222.332 3.683 30 20 BHED C=C(CC)CN[C@H]1CCCOc2cc(F)ccc21 453345627 FKPCADSPFINHAK-AWEZNQCLSA-N 249.329 3.595 30 20 BHED C=C(C)CN(Cc1ccccc1)CC(C)C 521189584 JEYPWPMIKQDIRT-UHFFFAOYSA-N 217.356 3.721 30 20 BHED Cc1cc(C#N)ccc1OCc1cccc(F)c1 522248546 PDBIHVBRIVDMDI-UHFFFAOYSA-N 241.265 3.585 30 20 BHED CCC[C@H](CC)Sc1nc(C)ccc1C#N 575942468 KFAHWKDACFNYOU-LBPRGKRZSA-N 234.368 3.933 30 20 BHED C=C[C@@](C)(CC)c1nc(-c2cccc(C)c2)no1 581691714 LXCOKAANGNDQEZ-HNNXBMFYSA-N 242.322 3.899 30 20 BHED C=CCCSCCN[C@H]1CCC12CCCC2 595060997 WXZGONNZAMRVCY-ZDUSSCGKSA-N 239.428 3.608 30 20 BHED C=CCC1(NC(=O)c2cc(C)cs2)CCCC1 619110173 FDPNZOFCQLBNBY-UHFFFAOYSA-N 249.379 3.675 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H](C)CCCC 620856821 BCQNPNDIKSEUCC-GFCCVEGCSA-N 225.376 3.674 30 20 BHED CCC/C=C\C(=O)O[C@H](C)c1cccc(C#N)c1 735210921 JBKRVIAQGZOKIZ-DJTUGOFGSA-N 243.306 3.519 30 20 BHED CC(C)(C)C=NNc1ncc(Cl)cc1Cl 755541196 HCHSRFKJSXZTIL-UHFFFAOYSA-N 246.141 3.832 30 20 BHED Cc1cc(F)ccc1NN=C[C@H]1C[C@H]2C=C[C@H]1C2 755813345 DPHBHRXEXBOMDL-RWMBFGLXSA-N 244.313 3.744 30 20 BHED C=CCCCC(=O)N1CC(C)(C)c2ccccc21 757774987 RAJGDTGJTJZERC-UHFFFAOYSA-N 243.350 3.667 30 20 BHED Cc1cc(C)c(NN=C[C@@H]2C[C@@H]2C)c(C)c1 758379859 ZQCSLRYCJBWJLR-GWCFXTLKSA-N 216.328 3.666 30 20 BHED CC(C)[C@@H]1CCCC1=NOC1CCCC1 774596822 MSPZVUQCLHANDS-LBPRGKRZSA-N 209.333 3.758 30 20 BHED C#CCCCCCC(=O)Nc1cccc(C)c1C 779704604 SUNUHBOBVDIVAX-UHFFFAOYSA-N 243.350 3.826 30 20 BHED C#C[C@@H](CCC)NC(=O)C[C@@H](C)CCCCC 791202890 VOKMFIBNUUKIFD-KBPBESRZSA-N 237.387 3.511 30 20 BHED Cc1cc(C)c(NN=C2CSC[C@@H]2C)c(C)c1 794914651 KKMQDGCVXXMGKQ-LBPRGKRZSA-N 248.395 3.763 30 20 BHED CC(C)[C@@H]1CCCCC1=NNc1ncccc1F 794989770 CGRBXJDDUONAFU-NSHDSACASA-N 249.333 3.835 30 20 BHED C=CCCCCOC(=O)[C@H](C)c1ccccc1 811008827 LSSPDCVHQPNLFD-CYBMUJFWSA-N 232.323 3.690 30 20 BHED C[C@H]1CC(=NOC/C=C\Cl)CC[C@H]1C 811671677 JQBCQRRTTSKCKQ-RDENHSKPSA-N 215.724 3.568 30 20 BHED CC(CC1CCCC1)=NOCCC1CC1 814247244 XSZLYNDCSQRVIO-UHFFFAOYSA-N 209.333 3.759 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C(C)=C\c1ccco1 846946549 JPVHLQXKEFLXBI-YLGBQOPLSA-N 247.338 3.544 30 20 BHED C=C1CC(c2noc([C@@](C)(F)CCCC)n2)C1 896874905 WEBBCRQZUVYGEG-ZDUSSCGKSA-N 238.306 3.878 30 20 BHED CCCNN=C1CCC(c2ccccc2)CC1 915965465 JMASYDDYGSXSFZ-UHFFFAOYSA-N 230.355 3.700 30 20 BHED Cc1cc(C)cc(NN=Cc2cccs2)c1 916346794 VCRDYXFGIXDRNS-UHFFFAOYSA-N 230.336 3.811 30 20 BHED C=C[C@H](CC)CC(=O)Nc1cc(C)ccc1F 929515629 GYHHIRWGZFKTPM-LLVKDONJSA-N 235.302 3.675 30 20 BHED CC[C@@H](C)[C@@H](C)NCCCCC1(C#N)CCC1 930225433 BQQGMGYEIVEDSH-ZIAGYGMSSA-N 236.403 3.875 30 20 BHED C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C(C)C 933065038 ANHYVBWFWJWXLI-UONOGXRCSA-N 237.387 3.626 30 20 BHED C[C@H]1C[C@@H]1c1ccc(C=NOC(C)(C)C)o1 1319685006 JFYCQJABRIPDKI-ONGXEEELSA-N 221.300 3.552 30 20 BHED C=CCCCc1nnc(-c2ccccc2Cl)o1 1346601253 PEPQFNNXYMXOAS-UHFFFAOYSA-N 248.713 3.899 30 20 BHED N#CC1(CCN2C[C@H]3CCC[C@H]2C3)CCCCC1 1473863693 BTZFDVUQFDJLGV-GJZGRUSLSA-N 246.398 3.725 30 20 BHED C[C@H]1CCCN(CCC2(C#N)CCCCC2)CC1 1644464713 XMVDDYIZIFYVGW-HNNXBMFYSA-N 248.414 3.973 30 20 BHED Cc1cccc(OCc2ccccc2C#N)c1C 11834111 LRIATYHORNRBQB-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C[C@@H](N[C@H](C)c1ccco1)c1ccc(C#N)cc1 35739030 VVANBVZTMUTVGG-VXGBXAGGSA-N 240.306 3.563 30 20 BHED C#Cc1cccc(NCc2cc(C)ccc2C)c1 42238320 UIESCBYASPEMAQ-UHFFFAOYSA-N 235.330 3.897 30 20 BHED CC(C)CCC[C@@H](C)Nc1ncccc1C#N 44386466 FBOYARHLQAXASS-GFCCVEGCSA-N 231.343 3.580 30 20 BHED CC[C@H](CC#N)N[C@H](C)c1ccccc1Cl 49508705 UYZCZTNRBCUDMS-GHMZBOCLSA-N 236.746 3.683 30 20 BHED C[C@@H](C=O)C(c1ccccc1)c1ccccc1 89556438 BNDURPQXTFHCMS-ZDUSSCGKSA-N 224.303 3.654 30 20 BHED CN(CC1CCCCC1)c1cccc(F)c1C#N 91015609 ACTWHKZKYDLVAB-UHFFFAOYSA-N 246.329 3.714 30 20 BHED CCC(CC)CN(CC)c1cccc(F)c1C#N 93396567 AIOMSCGKWMOSDO-UHFFFAOYSA-N 248.345 3.960 30 20 BHED CC1(C)CCCC[C@@H]1NCc1cc(C#N)cs1 94323956 LWYMOBKUZJOQPD-ZDUSSCGKSA-N 248.395 3.678 30 20 BHED C#CCCCCNCc1ccc(Cl)cc1C 130138293 PDIBDBUROBYHLT-UHFFFAOYSA-N 235.758 3.542 30 20 BHED C[C@H]1CCCC[C@H]1CNCc1ccc(C#N)s1 135686878 ITVZLKZGWNWLJR-RYUDHWBXSA-N 248.395 3.536 30 20 BHED C=CCC(CC=C)C(=O)N1CC[C@H](CC(C)C)C1 151090174 NFWABOHDQXHCST-CQSZACIVSA-N 249.398 3.649 30 20 BHED C=CCN(CCCCC)Cc1ccccc1 168259178 BXEVOSQLADILAM-UHFFFAOYSA-N 217.356 3.865 30 20 BHED C=C(C)CCOC(=O)c1ccc2ccccc2c1 223700629 ONBAIYVLKBOJOS-UHFFFAOYSA-N 240.302 3.963 30 20 BHED CCC1(CNc2ccc(C#N)c(Cl)c2)CC1 226807646 GKGASCKBBQFIPH-UHFFFAOYSA-N 234.730 3.814 30 20 BHED CCCCCCC[C@H](C)N[C@H]1CCSC1 231883872 KYWPNNYSTZPTBF-STQMWFEESA-N 229.433 3.831 30 20 BHED Cc1ccc(/C=C\C(=O)c2occc2C)cc1 255361602 QOPWMVLYJLVRJD-FPLPWBNLSA-N 226.275 3.793 30 20 BHED Cc1cc(COc2ccccc2F)ccc1C#N 260755128 GTIMDERVDMTAGI-UHFFFAOYSA-N 241.265 3.585 30 20 BHED CSc1ccc(CSCC2(C#N)CC2)cc1 344471181 IJHFSOHVEQKCON-UHFFFAOYSA-N 249.404 3.945 30 20 BHED N#Cc1ccc(NCc2cc3ccccc3[nH]2)cc1 350051141 PXWVBTAQWCZPMI-UHFFFAOYSA-N 247.301 3.652 30 20 BHED CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1cccc(C#N)c1 395322791 NBBGOJMGYYEEGG-DAXOMENPSA-N 242.366 3.643 30 20 BHED C=CCCC[C@H](C)NCc1ccc(C#N)cc1F 398152428 GZKACCPPCHITAL-LBPRGKRZSA-N 246.329 3.532 30 20 BHED CCN(CCC1CC1)[C@H](C)c1ccc(C#N)cc1 409445540 MTPYYCGZKFLNOJ-CYBMUJFWSA-N 242.366 3.741 30 20 BHED C=C(C)C(C)(C)c1nc(-c2cscc2C)no1 424360815 UBTUEVJYFVYXIT-UHFFFAOYSA-N 248.351 3.960 30 20 BHED CCC[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(C)(C)C 449473620 RCEITLJWWQAZES-MJBXVCDLSA-N 236.403 3.873 30 20 BHED N#CC1(COc2ccc(Cl)cc2Cl)CC1 500760220 SSEROKLRRLLKED-UHFFFAOYSA-N 242.105 3.676 30 20 BHED C=C1CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 542282725 YVNPKAPBAKOZCB-OAHLLOKOSA-N 247.769 3.979 30 20 BHED C=CCC(C)(C)C(=O)N[C@H]1C[C@H]1C1CCCCC1 551455856 MPBVFBPNTXNPRR-KBPBESRZSA-N 249.398 3.674 30 20 BHED Cc1cc(SC[C@@H]2CCCCO2)ccc1C#N 563128886 XGGJIWWXDKCKJS-ZDUSSCGKSA-N 247.363 3.528 30 20 BHED Cc1nocc1CSCCCC(C)(C)C#N 596383017 QLFWBAUKBKTDHN-UHFFFAOYSA-N 238.356 3.546 30 20 BHED CC(C)[C@H]1CCC[C@H](NC[C@H](C)CCC#N)C1 602544071 IRAYZQMIKDVLCF-ILXRZTDVSA-N 236.403 3.731 30 20 BHED Cc1ccc(NN=Cc2ccc(C)s2)cc1 606346833 NHFSRUXORRHBHW-UHFFFAOYSA-N 230.336 3.811 30 20 BHED C=CC[C@H]1CCCN(C(=O)[C@@]2(C)CC=CCC2)C1 617777057 HHGDDWZMTWCESQ-HOCLYGCPSA-N 247.382 3.548 30 20 BHED C=C[C@@H](C)N[C@@H]1CCc2cc(F)c(Cl)cc21 623904339 AOYQTUXXMZFIIU-AMIZOPFISA-N 239.721 3.631 30 20 BHED C=CCCNC(=O)Nc1ccccc1C(C)(C)C 665165004 WDBZLCAINCYHLK-UHFFFAOYSA-N 246.354 3.682 30 20 BHED C=C1CCN(Cc2cscc2Cl)CC1 678242000 JFFZHDJLDQHDAI-UHFFFAOYSA-N 227.760 3.554 30 20 BHED CC(C)(C#N)CCCSc1nccn1C1CC1 709742037 CPWFOTCLQOVRPH-UHFFFAOYSA-N 249.383 3.640 30 20 BHED CC(=NNc1cc(C)cc(C)c1)c1nccs1 732622361 QLVIHLUVLCCYCR-UHFFFAOYSA-N 245.351 3.596 30 20 BHED C=CCCCC(=O)Oc1ccc(OCCC)cc1 748665014 VWDSJZQCGGCMTE-UHFFFAOYSA-N 248.322 3.737 30 20 BHED C[C@H](C=NN=c1cc[nH]cc1)CC1CCCCC1 758126441 JPAOJIFETNCDPG-ZDUSSCGKSA-N 245.370 3.508 30 20 BHED COc1ccc(NN=C2CC(C)(C)C[C@@H]2C)cc1 766025846 OSUDTGIZNDAKLZ-NSHDSACASA-N 246.354 3.919 30 20 BHED CON=C(C)c1cc2c(ccc3ccccc32)o1 767491723 YOVBHKBDJJYWOL-UHFFFAOYSA-N 239.274 3.956 30 20 BHED C=C(C)CN(C)C(=O)C[C@H](C)CCCCC 778120786 CSONWLGMJQIINS-CYBMUJFWSA-N 225.376 3.627 30 20 BHED CCCC(=NNc1ccccn1)c1ccsc1 785449446 KDAIGHBRDWQUSM-UHFFFAOYSA-N 245.351 3.759 30 20 BHED C=CCCNc1ccc2cc(OC)ccc2c1 795287260 VGTZLJPNOPDUCH-UHFFFAOYSA-N 227.307 3.836 30 20 BHED CC1(C)CC(=NOC2CCC2)c2ccoc2C1 812237123 LDCUNZOBHSYEJA-UHFFFAOYSA-N 233.311 3.525 30 20 BHED C=CCOCCSCc1ccc(Cl)s1 842168819 DVVUAKCIHPTPAS-UHFFFAOYSA-N 248.800 3.837 30 20 BHED C=C[C@H](C)ON=C(C)c1csc(C(C)C)n1 844622180 WCDCOTAUXPUHOL-VIFPVBQESA-N 238.356 3.582 30 20 BHED CC(=NNc1ccccn1)c1ccc(C)c(C)c1 916276101 LAOQVSZRXDPXEJ-UHFFFAOYSA-N 239.322 3.535 30 20 BHED CC(=NNCc1ccccc1)c1cccc(C)c1 916343810 IBSZKUTWTMWBNQ-UHFFFAOYSA-N 238.334 3.509 30 20 BHED COc1ccc2oc(C=NOC(C)(C)C)cc2c1 1336289619 MIGNIAXCTRPYID-UHFFFAOYSA-N 247.294 3.590 30 20 BHED C[C@@H](CCC#N)CN1C[C@H](C)Cc2ccccc21 1659390046 ROUFNSBEHBBBPR-UONOGXRCSA-N 242.366 3.625 30 20 BHED N#CCCCOc1cccc(NC2CCCC2)c1 37777379 SEQIMTOTMBQMTQ-UHFFFAOYSA-N 244.338 3.724 30 20 BHED CCCCCCCCn1nnc2ccccc21 42988822 DMJFSRDJSLYNCP-UHFFFAOYSA-N 231.343 3.792 30 20 BHED CC(C)c1ccc(CN(C)CCCC#N)cc1 52922698 OBASEOVKSBAYLR-UHFFFAOYSA-N 230.355 3.546 30 20 BHED N#Cc1ccc(CSC2CCCC2)c(F)c1 61547573 WSHPWYZFXCURNQ-UHFFFAOYSA-N 235.327 3.873 30 20 BHED N#Cc1c(F)cccc1SCc1ccco1 105790295 RAKGGEULPPHCGK-UHFFFAOYSA-N 233.267 3.583 30 20 BHED C=CC[C@H](C)NCc1cc(C)c(C)cc1C 124254530 IJPRZTORZPLQDD-AWEZNQCLSA-N 217.356 3.666 30 20 BHED C#CCCCCN[C@H]1CCC(C)(C)C[C@@H]1C 130733994 WWPDBLLRLZMKOQ-KBPBESRZSA-N 221.388 3.594 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccccc1CC 191801329 SOAWSOQYEYIAGU-HNNXBMFYSA-N 231.339 3.790 30 20 BHED N#Cc1ccc(NCc2ccsc2Cl)cc1 309545746 ZTJQIMNJBMOSBO-UHFFFAOYSA-N 248.738 3.885 30 20 BHED N#Cc1ccc(F)cc1CSCC1CCC1 345521008 IMURFBJTIOKVQL-UHFFFAOYSA-N 235.327 3.731 30 20 BHED C=CC[C@H](C)NC(=O)c1ccc2sccc2c1 349700135 ITDFSEKXXAQKMF-JTQLQIEISA-N 245.347 3.596 30 20 BHED C=CCC1(C(=O)N2CCCCC(C)(C)C2)CCC1 359846732 PZIQZCKNBVZTBE-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CC(C)(C)CNCc1ccc(Cl)s1 385035894 MDARKJCHUGIAKV-UHFFFAOYSA-N 229.776 3.703 30 20 BHED C=C(C)CCNCc1cccc(OCCC)c1 386817627 SVHHESSUMYPTFX-UHFFFAOYSA-N 233.355 3.531 30 20 BHED CC[C@@H]1CCCC[C@@H]1OCCCCCC=O 390507208 XGDYFXCYLBUGOR-KGLIPLIRSA-N 226.360 3.731 30 20 BHED CCOc1ccc(C#N)cc1NC1CC(C)(C)C1 434980415 DRAWJXZXCUYWSE-UHFFFAOYSA-N 244.338 3.557 30 20 BHED CC(C)c1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 442851563 FHEFJSUBYVTQLK-IUODEOHRSA-N 228.339 3.914 30 20 BHED Cc1ccsc1CN1CCCC(C)(C)[C@@H]1C#N 446976788 YGLPDGBNEDRNHX-ZDUSSCGKSA-N 248.395 3.571 30 20 BHED C=CC(C)(C)CN[C@H]1CCCc2c(O)cccc21 453310574 RTHWYHLSNNUDNE-AWEZNQCLSA-N 245.366 3.571 30 20 BHED C=CCCCC(=O)N[C@H]1CCCCC12CCCC2 462981298 NYWFSGASAZRNIW-AWEZNQCLSA-N 249.398 3.962 30 20 BHED CCOc1ccc(C#N)cc1N[C@H](C)C1CCC1 474942389 LGQIRKPKNINGJF-LLVKDONJSA-N 244.338 3.557 30 20 BHED CC[C@@H](CN(CC)C[C@H](C)C#N)c1ccccc1 509811946 LOMOFERRGDYUGL-CABCVRRESA-N 244.382 3.662 30 20 BHED C=CC1CCN(Cc2ccc(Cl)cc2)CC1 523607479 CYHNSQBIGKRURP-UHFFFAOYSA-N 235.758 3.738 30 20 BHED C=CCCN[C@@H](C(=C)C)c1ccc(F)c(F)c1 548491321 PENWRADQFSNEHW-AWEZNQCLSA-N 237.293 3.748 30 20 BHED C[C@H]1CC[C@H](Sc2ccc(C#N)cc2F)C1 549374083 HNVLWSMABATSTH-ONGXEEELSA-N 235.327 3.978 30 20 BHED CC[C@H]1CCC[C@@H](CN(C)CC(C)(C)C#N)C1 565883825 RHJWGGITROKGTN-UONOGXRCSA-N 236.403 3.684 30 20 BHED CCCC[C@H](C)N(C)Cc1ccc(C#N)s1 574090698 VQPLFGLWPLNCRZ-NSHDSACASA-N 236.384 3.630 30 20 BHED C=CCC(C)(C)c1noc(C2CC3(CC3)C2)n1 664892429 ZZNLFUUGLGCGDA-UHFFFAOYSA-N 232.327 3.581 30 20 BHED CC(C)CON=C(CC(C)C)c1ccccn1 749636813 SFSAESQQYDCATD-UHFFFAOYSA-N 234.343 3.504 30 20 BHED C(=NOC1CCCC1)[C@@H]1CCc2ccccc21 774602420 JYSOCACXGXVCFB-ZDUSSCGKSA-N 229.323 3.661 30 20 BHED CC[C@@H](C)C(C)=NNc1cc(Cl)ccn1 777905794 LXQRBZCVZWAWAX-MRVPVSSYSA-N 225.723 3.569 30 20 BHED C=CCN(C(C)C)[C@H](C)Cc1ccsc1 783415159 PFNMFWBRUIYXOP-GFCCVEGCSA-N 223.385 3.576 30 20 BHED CC[C@H](C)CON=C1CCC2(CCCO2)CC1 793159270 MMXXFZKNQPHWML-NBFOIZRFSA-N 239.359 3.528 30 20 BHED CC1=CC(=NNc2cccc(F)n2)CC(C)(C)C1 795006007 BCFMVXAZSLRWBW-UHFFFAOYSA-N 247.317 3.755 30 20 BHED Cc1ccc(F)c(NN=C[C@@H]2CC[C@H](C)C2)c1 800814346 TYDDZYNZYJBTEF-CMPLNLGQSA-N 234.318 3.968 30 20 BHED CCCC(CCC)SCCO[C@@H](C)C#N 801657158 GWFHYWLLHWOMOI-NSHDSACASA-N 229.389 3.617 30 20 BHED CC(C)(C)CCCCC(=O)OCCCCC#N 805585544 RERQOWWJOYZCCS-UHFFFAOYSA-N 239.359 3.830 30 20 BHED CC1(c2ccccc2)CC(=NOC2CCC2)C1 812235377 FEVWQWNWMIBAKD-UHFFFAOYSA-N 229.323 3.663 30 20 BHED Cc1cccc(NN=Cc2cccc3cc[nH]c23)c1 814687994 ZKUAHWWXUTZHJH-UHFFFAOYSA-N 249.317 3.922 30 20 BHED Fc1ccc(NN=C2CC[C@H]2C2CCC2)cc1 814693258 FMIUWZSRQQADHT-ZDUSSCGKSA-N 232.302 3.804 30 20 BHED CC(C)(C)CCNN=C1CCC[C@@H]1C(C)(C)C#N 814901346 JXMOGLXGLFGWEQ-LBPRGKRZSA-N 249.402 3.718 30 20 BHED CC[C@H](C#N)OC(=O)C[C@@H](C)CCC=C(C)C 830091306 OCGBLCWETRBQNX-QWHCGFSZSA-N 237.343 3.604 30 20 BHED C=CCC1(C(=O)OCCCCC#N)CCCCC1 838151247 BMAXJEQKBGPDQK-UHFFFAOYSA-N 249.354 3.750 30 20 BHED CC1(C(=O)O[C@H]2CCC[C@@H](C#N)C2)CCCCC1 839059313 OSWBYCDZVXDZNK-OLZOCXBDSA-N 249.354 3.582 30 20 BHED C[C@H]1CC[C@@H](OC(=O)CC2(C#N)CCCCC2)C1 849907001 OOIVTPXJWYYBLJ-QWHCGFSZSA-N 249.354 3.582 30 20 BHED CC[C@H](CON=Cc1cccs1)CC(F)F 853640405 FHNXFAGHCNZZRX-VIFPVBQESA-N 247.310 3.780 30 20 BHED CSc1ccccc1C(C)=NOC1CCC1 1117693462 VFKHHSCJBUEJCG-UHFFFAOYSA-N 235.352 3.702 30 20 BHED CC(=NOC(C)(C)C)c1ccc(C)c(C)c1 1319802373 BYHMOYDUHKEEAF-UHFFFAOYSA-N 219.328 3.843 30 20 BHED C=C(C)CCC(=O)N1CCC[C@H]1[C@H](C)CCC 1358047673 YXGIKZVXEVLLEP-KGLIPLIRSA-N 237.387 3.770 30 20 BHED Cc1c(C#N)cccc1NCC1CCCCC1 1560489951 GJJQOGRAWWWSDN-UHFFFAOYSA-N 228.339 3.859 30 20 BHED C=C(Cl)CN1CCC[C@]1(C)Cc1ccccc1 1653187200 JEONBEYTVSRSTR-OAHLLOKOSA-N 249.785 3.836 30 20 BHED CC[C@@H]1CCCC[C@@H]1N(C)C[C@H](C)CCC#N 1659135528 WJXAZTBXZDKOOA-KFWWJZLASA-N 236.403 3.827 30 20 BHED C#Cc1cccc(NCc2ccc(F)c(F)c2)c1 19876815 IRFVUEWYJBRDHW-UHFFFAOYSA-N 243.256 3.558 30 20 BHED C=C(C)CN[C@@H](C)c1ccc(Cl)cc1 49855300 OJMIBXILIZBWCJ-JTQLQIEISA-N 209.720 3.567 30 20 BHED C#Cc1cccc(NC(=O)C2CCCCCC2)c1 53716320 KQVIHJTZXBOLHN-UHFFFAOYSA-N 241.334 3.577 30 20 BHED CCCC[C@H](CC)NCc1ccc(C#N)cc1 69376910 KIHNIEAZRJRPTC-HNNXBMFYSA-N 230.355 3.617 30 20 BHED Cc1ccc([C@H](C)NCCC(C)(C)C#N)cc1 87591768 PIAGCHWMXCSXAJ-ZDUSSCGKSA-N 230.355 3.586 30 20 BHED C=CC[C@H](C)N[C@H](c1ccccc1)C(C)C 162082972 RKDHOUKCRNJPJX-ZFWWWQNUSA-N 217.356 3.938 30 20 BHED C=CCCCC(=O)N[C@H](C)c1ccc(C)cc1 175237424 VKCRNYUEYKVEGW-CYBMUJFWSA-N 231.339 3.529 30 20 BHED C=CCC1(C(=O)NC2C[C@@H](C)C[C@H](C)C2)CCC1 187976860 AJWCUAQKZRAYDU-STQMWFEESA-N 249.398 3.674 30 20 BHED C=CCCCCCN[C@H](C)c1ncc(C)s1 194359082 XIMRTKXXPLIZNP-GFCCVEGCSA-N 238.400 3.849 30 20 BHED O=C(/C=C\c1ccccc1)c1cccc(F)c1 199437680 WHGIJXPQHXGOHI-KTKRTIGZSA-N 226.250 3.722 30 20 BHED C[C@@H](c1ccccc1)[C@@H](C)NCCC(C)(C)C#N 273455278 YSLVOSGPJYMKKL-ZIAGYGMSSA-N 244.382 3.708 30 20 BHED C#CCCCCN[C@H](CCC=C)c1ccco1 285959181 FKLKBPGXOFSVKG-CQSZACIVSA-N 231.339 3.680 30 20 BHED CC(C)CCSc1ccc(Cl)c(C#N)n1 301578184 MXUHGKHNRJZPNN-UHFFFAOYSA-N 240.759 3.745 30 20 BHED C=C(C)CN1CCC[C@](C)(c2ccccc2)C1 303577369 JVIVMIOKMLFUHI-INIZCTEOSA-N 229.367 3.616 30 20 BHED C#C[C@@H](N[C@@H](C)C(C)C)c1ccc(Cl)cc1 309707172 VWJSKFJHFDAFRL-SMDDNHRTSA-N 235.758 3.648 30 20 BHED C=C(CC)CN[C@H](CC)c1ccccc1OC 313532759 HFAUADMDTGITLN-CQSZACIVSA-N 233.355 3.702 30 20 BHED C[C@@H](Sc1ccc(C#N)cc1)c1cccnc1 335910286 IQETXXMZUGYLLU-LLVKDONJSA-N 240.331 3.807 30 20 BHED C=C(C)CSCc1cccc(C#N)c1F 340857091 SAXNNQZSFFZALD-UHFFFAOYSA-N 221.300 3.507 30 20 BHED Cc1ccc(F)cc1CSCC1(C#N)CC1 438319544 ISMUHMWERVWVBR-UHFFFAOYSA-N 235.327 3.671 30 20 BHED CC(C)CCCN(C)[C@@H](C)c1cccc(C#N)c1 442886887 VFHVYFPSVLTXGW-AWEZNQCLSA-N 244.382 3.987 30 20 BHED CC[C@@H](C)[C@@H](C)N(CC1(C#N)CCC1)C1CC1 450359208 VKZNVOZBCDKIJU-CHWSQXEVSA-N 234.387 3.579 30 20 BHED N#CCc1ccc(N[C@H]2CCC[C@@H]2C2CC2)cc1 468476681 WRKGBXLCTIPGII-CVEARBPZSA-N 240.350 3.743 30 20 BHED C=C(C)CCN(Cc1ccc(F)cc1)C1CC1 509832259 MJZAFUCVDUKUGP-UHFFFAOYSA-N 233.330 3.756 30 20 BHED CCC(CC)(CC)[S@](=O)CCC(C)(C)C#N 520317329 STXWFBGEOUXPOL-MRXNPFEDSA-N 243.416 3.644 30 20 BHED C=CCCCCSCC[C@@H]1CCCO1 521591753 PIISZUAXALDJAL-LBPRGKRZSA-N 214.374 3.645 30 20 BHED C=CCC1(NCc2ccc(F)cn2)CCCCC1 528709781 YDALSJPXUICGRF-UHFFFAOYSA-N 248.345 3.589 30 20 BHED C=C(CC)CN1[C@H]2CCCC[C@@H]2C[C@H]1C 536894428 VCJIBFFXDAHJDU-MCIONIFRSA-N 207.361 3.606 30 20 BHED CC[C@@H](C)[C@@H](C)N(CCC(C)(C)C#N)C1CC1 537365110 CXNWQGZJTDPXNM-CHWSQXEVSA-N 236.403 3.825 30 20 BHED C=CCC(C)(C)c1noc(-c2cccs2)n1 551139195 BDXPXDVYGQEZPO-UHFFFAOYSA-N 234.324 3.652 30 20 BHED C=CCC(C)(C)CNCC1Cc2ccccc2C1 556907269 QHQSTOMAILXAGV-UHFFFAOYSA-N 243.394 3.593 30 20 BHED C/C=C/c1ccc(NCc2ccc(C#N)o2)cc1 573954812 QIIDRHJWICSHJV-NSCUHMNNSA-N 238.290 3.796 30 20 BHED CCC1(CC)CCCN([C@@H]2CC[C@@H](C#N)C2)CC1 578528351 UYQMSOOVDIVPPE-HUUCEWRRSA-N 248.414 3.971 30 20 BHED COc1ccccc1[C@@H](C)S[C@@H](C#N)C1CC1 601077595 WJLZGACRHYQPBV-YGRLFVJLSA-N 247.363 3.792 30 20 BHED C[C@@H](CCC#N)CN(C)C[C@@H](C)c1ccccc1 602459238 RYGSFFXKKMUDLS-LSDHHAIUSA-N 244.382 3.662 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@]2(C)CC=CCC2)C1 617777055 HHGDDWZMTWCESQ-GDBMZVCRSA-N 247.382 3.548 30 20 BHED C=CCCN[C@@H](C)Cc1coc2ccccc12 658113910 JLPXXWWKYVTRGI-LBPRGKRZSA-N 229.323 3.530 30 20 BHED C=C(C)CCc1noc(C(C)(CC)CC)n1 685384971 OCTCTPXMZHOVGE-UHFFFAOYSA-N 222.332 3.656 30 20 BHED C=C[C@H](C)NC(=O)c1ccc(C2CCCC2)cc1 685782368 IYCQPGLWFQOMII-LBPRGKRZSA-N 243.350 3.649 30 20 BHED C[C@@H](CC1CCCC1)NCc1ccc(C#N)cc1 689721647 VJGWNGCUVOHJMK-ZDUSSCGKSA-N 242.366 3.617 30 20 BHED CC1(C)CCCCC1=NOCC(F)(F)F 764835578 MFGHGURZFYAABK-UHFFFAOYSA-N 223.238 3.522 30 20 BHED C#CCCCN[C@@H]1CCC[C@H]1c1ccc(C)cc1 766225028 ZKKTXFNLULJSIJ-DLBZAZTESA-N 241.378 3.634 30 20 BHED C=C(CC)COC(=O)CCCc1cccs1 773471307 ACDAZUSNZKJWMQ-UHFFFAOYSA-N 238.352 3.580 30 20 BHED CC(C)Oc1cccc(C=NOC2CCCC2)c1 774609789 YYMPIOQDFLKLLV-UHFFFAOYSA-N 247.338 3.767 30 20 BHED CCCCCCCCC(=O)N1CCC=C(F)C1 783658661 LJHBXQFMBIEFAY-UHFFFAOYSA-N 241.350 3.823 30 20 BHED C[C@H](NN=Cc1cccc2[nH]ccc12)C(C)(C)C 793115538 RMLIXCZBBFIGPX-NSHDSACASA-N 243.354 3.526 30 20 BHED CCCNc1ccc(C#N)cc1NCCC1CC1 795267215 VYHGGSZQOGCVQO-UHFFFAOYSA-N 243.354 3.592 30 20 BHED C#CCCCNc1ccc2cc(OC)ccc2c1 795286417 KUSLSZIOIBKNFJ-UHFFFAOYSA-N 239.318 3.674 30 20 BHED CC[C@@H]1C[C@H](C)CCC1=NOCC1CC1 814245018 PUBNKVRSTJDMAX-ZYHUDNBSSA-N 209.333 3.615 30 20 BHED C[C@@H]1CCC(=NNc2cc(F)cc(F)c2)C1 814813165 JDCJHRSQYSDMOJ-MRVPVSSYSA-N 224.254 3.553 30 20 BHED CC[C@@H](C)CON=C1CC[C@H]1C1CCC1 814939498 SJIYSJCLWBDFCI-PWSUYJOCSA-N 209.333 3.615 30 20 BHED C=C(C)COC(=O)/C=C/c1ccc(Cl)s1 839240998 GNNFOUGUYKWFBM-GQCTYLIASA-N 242.727 3.534 30 20 BHED C=C(Cl)CSCc1cccc(C(C)=O)c1 842186700 UCQLKEXSAZZGOB-UHFFFAOYSA-N 240.755 3.875 30 20 BHED C=CCCN[C@H](CC)c1cc(Cl)ccc1O 850501356 APLDXVNQDPDICZ-GFCCVEGCSA-N 239.746 3.662 30 20 BHED C=C(C)CON=C[C@@H]1CCC[C@@H](C(F)(F)F)C1 853370082 YSPYEOZHHYYQSM-GHMZBOCLSA-N 249.276 3.934 30 20 BHED Cc1ccc([C@@H](C)C=NOCC2CC2)cc1 863115562 RYJFFVPUMBCBSK-LBPRGKRZSA-N 217.312 3.511 30 20 BHED CC[C@@H](C)CN(C)CCCCC1(C#N)CCC1 929620580 YGHSTDFLGBFVNW-CQSZACIVSA-N 236.403 3.828 30 20 BHED CC[C@@H]1CCCN([C@@H](C#N)c2ccccc2)CC1 1167377984 XKZDOZFCPNBPTA-ZBFHGGJFSA-N 242.366 3.763 30 20 BHED C=C(C)CNC(=S)Nc1ccccc1C(C)C 16221062 JKIRSKWNTGSHCC-UHFFFAOYSA-N 248.395 3.673 30 20 BHED C[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2F)C1 37412614 UCDCTHJBWLYKHA-PWSUYJOCSA-N 232.302 3.688 30 20 BHED C[C@@H]1C[C@@H](C)CN(c2ccc(Cl)cc2C#N)C1 52859534 RTCOQDDCSPURHE-GHMZBOCLSA-N 248.757 3.694 30 20 BHED C=CCCC(=O)Nc1cccc(SCC)c1 71019759 ZXCGVOPSPMATSY-UHFFFAOYSA-N 235.352 3.703 30 20 BHED C=C(CC)CNc1ccccc1OC(F)F 85057325 MAUONCQNQXJBKV-UHFFFAOYSA-N 227.254 3.666 30 20 BHED C[C@H](CC1CC1)N[C@@H](CCC#N)c1ccccc1 90666044 MLMUNOIVFGSMAA-CJNGLKHVSA-N 242.366 3.810 30 20 BHED C#CCCCNc1cc(Cl)ccc1Cl 161047144 XLRCXGCFJOJQBE-UHFFFAOYSA-N 228.122 3.819 30 20 BHED C#CCCCN[C@H](C)c1ccc(F)c(Cl)c1 174273666 XHYXZPVSTIUFBA-SNVBAGLBSA-N 239.721 3.543 30 20 BHED C=C(C)CN(C)C/C(C)=C/c1ccccc1 181053490 BGIOIPHSCWFKDX-GXDHUFHOSA-N 215.340 3.598 30 20 BHED C#CCCCN[C@H](C)c1ccc2c(c1)CCCC2 224310359 ONXGWWDXMNLFLY-CQSZACIVSA-N 241.378 3.629 30 20 BHED CCCC[C@H](CCC)Nc1ccc(C#N)cn1 226262481 XPSJBOLADLKECU-ZDUSSCGKSA-N 231.343 3.724 30 20 BHED CSc1ccccc1NCC1(CC#N)CC1 232274351 CPLUCFPVFZGCLB-UHFFFAOYSA-N 232.352 3.514 30 20 BHED C[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)C[C@@H]1C 245919448 NPZZDFWSWPFFDH-HZSPNIEDSA-N 242.366 3.597 30 20 BHED C=CCCCN[C@@H](c1ccccc1)C(F)F 292754246 OAZAWKXVKYTICN-LBPRGKRZSA-N 225.282 3.549 30 20 BHED C[C@@H](CCC#N)Sc1ccc(Cl)cn1 298357952 OUSCPLAOBJWFBP-QMMMGPOBSA-N 226.732 3.519 30 20 BHED C=C(CC)CN[C@H](C)[C@H](C)c1ccccc1 309777122 LXONRYXHZZMULG-UONOGXRCSA-N 217.356 3.734 30 20 BHED C=CCC(C)(C)CN[C@@H](C)Cc1ccc(F)cc1 311179670 WWRKLIFEPKLONT-ZDUSSCGKSA-N 249.373 3.949 30 20 BHED C=C[C@H](C)N[C@H]1C[C@@H](C)Sc2sccc21 336665748 MEMDXQGCIQAXPL-NGZCFLSTSA-N 239.409 3.838 30 20 BHED C=CCC[C@H](CC)NCCC1(COC)CCC1 340447065 RFHYQATXCTXTPY-AWEZNQCLSA-N 239.403 3.528 30 20 BHED Cc1ccc(SCC2(C#N)CC2)c(C)c1 347025623 YJRJEECJPZSQDL-UHFFFAOYSA-N 217.337 3.699 30 20 BHED CC(C)CN[C@H]1CCCCc2cc(C#N)ccc21 360840411 NNZSHIZQJKECGR-INIZCTEOSA-N 242.366 3.571 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(OCC)cc1 386767002 JQXNBMNULWZUFH-ZDUSSCGKSA-N 233.355 3.702 30 20 BHED CC[C@@H](NCC(C)(C)CC#N)c1cccc(C)c1 414164160 JRXBZLHUTCHCSF-OAHLLOKOSA-N 244.382 3.976 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccc(F)c(C)c1 424654215 YQSCGRACJZRFBW-UHFFFAOYSA-N 235.302 3.675 30 20 BHED C[C@@H](CCC1CC1)NC1CCC(C)(C#N)CC1 449246087 AKOLXOFWMSKKSN-GRTSSRMGSA-N 234.387 3.627 30 20 BHED CCC[C@@H](NCC1(CC#N)CC1)C1CCCC1 449303558 YMOIHGSSVONBAL-CQSZACIVSA-N 234.387 3.629 30 20 BHED CCC[C@@H](CC)SCC1(C#N)CCC1 450943506 SSXWHUSBDVGRNF-LLVKDONJSA-N 211.374 3.992 30 20 BHED C=CC(C)(C)C(=O)N1CC2(CCCC2)[C@H]1C(C)C 457146608 PEWSXPYKSAXHBU-CYBMUJFWSA-N 249.398 3.626 30 20 BHED C=C(C)CN1CC[C@@H](Cc2ccccc2)[C@@H]1C 472328903 QQXSBNABVDOFNZ-HOCLYGCPSA-N 229.367 3.516 30 20 BHED C=CCCCNc1cc(C#N)ccc1OC(C)C 524842833 IXCMBLLGGICMAU-UHFFFAOYSA-N 244.338 3.724 30 20 BHED C=CCCCN(C)[C@@H](C)c1cc(F)ccc1F 533302284 PKXDQTRNDONLTK-NSHDSACASA-N 239.309 3.924 30 20 BHED C=CCN(Cc1cccn1C)CC1CCCCC1 539830607 IHHBUMYBZJFTAN-UHFFFAOYSA-N 246.398 3.593 30 20 BHED CCC(CC)N(CC)Cc1cccc(C#N)c1F 561788535 ZLOHJQNOEOQZLX-UHFFFAOYSA-N 248.345 3.708 30 20 BHED C=CCN1CCC[C@H]1[C@@H](CC)c1ccccc1 621826380 VJSYUCJEHIEUNA-HOTGVXAUSA-N 229.367 3.831 30 20 BHED C=CCCCCCSc1nnc2ccccn12 683736298 IMRTUBHAJNGPCN-UHFFFAOYSA-N 247.367 3.568 30 20 BHED CC[C@H](C)C(C)=NNc1ncnc2sccc12 725818119 DZJMLIVAJRFVJF-QMMMGPOBSA-N 248.355 3.525 30 20 BHED CCC(CC)NN=Cc1ccc(Cl)s1 734366601 YYUMXCHKSVCBNW-UHFFFAOYSA-N 230.764 3.514 30 20 BHED C=CCOc1ccc(OC(=O)[C@H](C)CCC)cc1 742861792 FYTOGBLOFFERLA-GFCCVEGCSA-N 248.322 3.593 30 20 BHED CCCCNN=C(C)[C@@H](C)c1ccccc1 746369679 ZQFCJXJEEAFKLU-GFCCVEGCSA-N 218.344 3.556 30 20 BHED C=C(Cl)CN(Cc1ccccc1C)C1CC1 746650448 FYZIGEXGKLKWNE-UHFFFAOYSA-N 235.758 3.712 30 20 BHED C#CCCCN[C@@H](C)c1cc2ccc(C)cc2o1 756037642 SPPXISQFENGMCZ-ZDUSSCGKSA-N 241.334 3.805 30 20 BHED Fc1cc(NN=CCC2CCCCCC2)ccn1 799113412 OSDQXMFKDBVOBX-UHFFFAOYSA-N 249.333 3.979 30 20 BHED CCCC[C@@H](C)C(C)=NNc1ncccc1F 807987729 NDDQWWCGLWFJFK-SNVBAGLBSA-N 237.322 3.835 30 20 BHED CC(C)=CCCC(C)=NOC/C=C/Cl 811670039 XLSWVWPHIWDBGC-JPWQVFTHSA-N 215.724 3.878 30 20 BHED CC(=NOC1CCC1)c1ccc(F)c(Cl)c1 812237367 WXUAVFSRJLAFHM-UHFFFAOYSA-N 241.693 3.772 30 20 BHED Cc1sccc1C=NNCC1(C)CCCC1 814937457 HBOUBJJJJMAMCQ-UHFFFAOYSA-N 236.384 3.560 30 20 BHED Fc1cccc(C=NOCc2cccc(F)c2)c1 824223278 UKIGZBCOOFONJU-UHFFFAOYSA-N 247.244 3.516 30 20 BHED CC(=NNc1cccc(F)n1)[C@H]1CCCC[C@@H]1C 834979486 JQOZPRINVKKDSP-JQWIXIFHSA-N 249.333 3.835 30 20 BHED CC(=NOC(C)C)c1cc(Cl)cc(C)c1O 835002471 OLANZYLFZFWAEK-UHFFFAOYSA-N 241.718 3.503 30 20 BHED C=CCCC[C@@H](C)OC(=O)CC1CC(F)(F)C1 835269790 KYJNPBQSARYVHG-SNVBAGLBSA-N 246.297 3.710 30 20 BHED Cc1ccc(Cl)cc1NC(=O)C#CC(C)(C)C 837310455 BZMPFWMBXDYYED-UHFFFAOYSA-N 249.741 3.636 30 20 BHED CCCCCCCC(=O)NC1CC2(CCC2)C1 846610901 WSZDQTPMEWVIAN-UHFFFAOYSA-N 237.387 3.796 30 20 BHED Cc1ccc([C@@H](C)C=NOC/C=C\Cl)cc1 863112057 IYRFQJVJHUCIMB-RNIZPYSMSA-N 237.730 3.853 30 20 BHED C#CCCCCCCN[C@H]1CCCC(F)(F)C1 877088380 DYJUPJVEGGDMAK-ZDUSSCGKSA-N 243.341 3.738 30 20 BHED Cc1ccc(C=NN[C@H](C)c2ccccc2)s1 920386261 VNVXNWGQJVLPCB-GFCCVEGCSA-N 244.363 3.741 30 20 BHED COc1ccc(CCC=NOC(C)(C)C)c(C)c1 1320445088 GJWYENYSDUKHMB-UHFFFAOYSA-N 249.354 3.737 30 20 BHED C[C@@H]1CCC[C@H](CSc2cc(C#N)ccn2)C1 1613475263 LJEHCWHTKLTFQU-YPMHNXCESA-N 246.379 3.872 30 20 BHED N#CCc1ccc(NCC2CCCCC2)cc1 35037787 QLJKZFORPNLKOK-UHFFFAOYSA-N 228.339 3.745 30 20 BHED Cc1cc(C)cc(COc2ccc(C#N)cc2)c1 37975912 LYTKTJGKFUSAFQ-UHFFFAOYSA-N 237.302 3.754 30 20 BHED CC(C)CCCN[C@H](C)c1cccc(C#N)c1 38093721 QWSOFQNPRXIQNI-CYBMUJFWSA-N 230.355 3.645 30 20 BHED CCCCCCC[C@H](C)NC1CCOCC1 59373110 MNLCVCPXRULYED-ZDUSSCGKSA-N 227.392 3.504 30 20 BHED C[C@@H]1CC(Nc2ccc(CC#N)cc2)C[C@@H](C)C1 84465577 WNJJZQNKTGCPJI-STQMWFEESA-N 242.366 3.989 30 20 BHED N#CCC1(CSc2ccc(F)cc2F)CC1 88259710 XCLGOKLIYVACIU-UHFFFAOYSA-N 239.290 3.751 30 20 BHED CCCCCCCC(=O)CC(=O)C(C)C 108308407 NJASAPXPNQBGNA-UHFFFAOYSA-N 212.333 3.531 30 20 BHED C=C(CNCc1ccc(C)s1)c1ccccc1 110057623 BKWUYKNKHGRCDS-UHFFFAOYSA-N 243.375 3.860 30 20 BHED C=CCS[C@H](C)C(=O)Nc1cc(C)cc(C)c1 114757349 KJNDJKQLMAWWQC-GFCCVEGCSA-N 249.379 3.550 30 20 BHED C=C[C@H](C)N[C@H](CCC)c1ccc(OC)cc1 119317855 SHMBQMROAPTXLQ-SWLSCSKDSA-N 233.355 3.701 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)c1ccc(F)cc1F 135708785 WCVKZTCJOCLLJZ-MNOVXSKESA-N 239.309 3.970 30 20 BHED CCCCCCC(=O)Oc1ccc(C#N)cc1F 158249827 TVSKHQZCSVMDQI-UHFFFAOYSA-N 249.285 3.573 30 20 BHED C=CCCCC(=O)N(CC)[C@H]1CCCC[C@@H]1C 177807723 DHPFDXUCKHPYRA-KBPBESRZSA-N 237.387 3.770 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCCOc2ccc(F)cc21 180952061 VBUXGLNMDSJEEG-BXUZGUMPSA-N 249.329 3.594 30 20 BHED CC(C)CCC[S@](=O)CCCC(C)(C)C#N 182296018 DGRGFFRODHPCST-INIZCTEOSA-N 243.416 3.501 30 20 BHED C=CCS[C@@H](C)c1nc2ccccc2o1 183272144 KNKRDVSJOWLSLP-VIFPVBQESA-N 219.309 3.808 30 20 BHED C=C[C@](C)(CC)C(=O)N1C[C@H](C)c2ccccc21 190632311 NILFNTCLAGWEPC-BLLLJJGKSA-N 243.350 3.739 30 20 BHED C[C@@H]1CCC[C@H](N[C@H](C)c2cccc(C#N)c2)C1 218004235 JISFRFXNPKLZDW-IOASZLSFSA-N 242.366 3.788 30 20 BHED CCS[C@@H]1CCC[C@H]1Nc1ccc(C#N)cc1 224437871 MJZQQDUGVUAGRZ-ZIAGYGMSSA-N 246.379 3.644 30 20 BHED CC(C)[C@H](C)Sc1cccc(C#N)c1 227863736 PVLNHDGNSWEKMR-JTQLQIEISA-N 205.326 3.695 30 20 BHED CSc1cccc(N=Cc2ccccc2O)c1 254759879 YAGFWFKGIJYKRQ-UHFFFAOYSA-N 243.331 3.865 30 20 BHED N#Cc1ccccc1/C=C\C(=O)c1cccs1 255754899 KVNCFBPNYWEYBA-FPLPWBNLSA-N 239.299 3.516 30 20 BHED Cc1cc(NCCCCC#N)c2ccccc2n1 264254484 YIYXZAIBMVXQRB-UHFFFAOYSA-N 239.322 3.649 30 20 BHED C=CCCCCN[C@H](C)c1cccnc1Cl 274625944 YBBQGOIQRDBQOT-LLVKDONJSA-N 238.762 3.742 30 20 BHED CC(C)[C@@H]1C[C@H](NCCCC#N)c2ccccc21 278888331 YKWKNKIMXNKOJJ-HOTGVXAUSA-N 242.366 3.764 30 20 BHED C=C(C)CN(CC)C(=O)c1cc(C(C)C)oc1C 285271671 TVJWYEPFXRZOFY-UHFFFAOYSA-N 249.354 3.750 30 20 BHED CSc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1 298613889 UEGBYGGVOZFKSF-VXGBXAGGSA-N 248.395 3.751 30 20 BHED C#CCCCNc1cc(Cl)ccc1SC 308938004 LKQDRTDWYNBAMK-UHFFFAOYSA-N 239.771 3.887 30 20 BHED C=CCC[C@@H](CCC)NC[C@H]1CCCSC1 309936644 AGBRIJMXAGGUST-ZIAGYGMSSA-N 241.444 3.854 30 20 BHED CC(C)c1ccc([C@H](C)N[C@H](C)CC#N)cc1 340616791 KSQDMOBRYZZHRE-OLZOCXBDSA-N 230.355 3.763 30 20 BHED C=CCc1ccccc1OCc1cncc(F)c1 341340965 AHYSXJDAMJOPAF-UHFFFAOYSA-N 243.281 3.528 30 20 BHED CCCCCCCCN[C@H]1CC[C@H](C#N)C1 390680958 ZSOLOXAQRGGVMS-KBPBESRZSA-N 222.376 3.629 30 20 BHED C=CC[C@H](CC)NC(=O)C1(CC(C)C)CCC1 466539378 LNFJIZPJBUONML-ZDUSSCGKSA-N 237.387 3.674 30 20 BHED C=CCCN(C)Cc1cccn1CCC(C)C 467389601 RDHWPLQPNCFTDU-UHFFFAOYSA-N 234.387 3.542 30 20 BHED C=CCOCCCSc1ccc(C)cc1C 475944040 BVJNFIBCEVSBBK-UHFFFAOYSA-N 236.380 3.988 30 20 BHED CCC[C@@H](CC)SCCCSCC#N 477068939 QUBWXPBVZDBJNT-LLVKDONJSA-N 231.430 3.945 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H](C)Cc1cccc(O)c1 482505627 YDXZKPOZNPUFCW-MJBXVCDLSA-N 247.382 3.514 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@@H]1CC12CCCCC2 488811442 COLRONSXHRXEJD-KBPBESRZSA-N 247.382 3.524 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCc2ccc(F)cc21 500804410 GPKYHCJQWJMKEK-DZGCQCFKSA-N 233.330 3.757 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)[C@H]1CCCOC1 507510944 NPZRUSFYZMTAAJ-KKUMJFAQSA-N 239.403 3.526 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)C(C)(C)C 539441189 UMXRUBRGMBDBRQ-VXGBXAGGSA-N 225.376 3.530 30 20 BHED C=CCCCc1nc(-c2cccc(C)c2)no1 544898772 WJSHSPNENNCUCE-UHFFFAOYSA-N 228.295 3.554 30 20 BHED C=C(C)CCc1noc(CC(C)(C)C2CC2)n1 556331287 ZEEGXUWUXMHLTJ-UHFFFAOYSA-N 234.343 3.557 30 20 BHED CC(C)(C)[C@@H]1CC=C(c2cnn(CC#N)c2)CC1 600775267 LLZSKARKSVUISA-CQSZACIVSA-N 243.354 3.636 30 20 BHED CC[C@@H](CC#N)N[C@H](C)[C@@H]1C[C@H]1c1cccs1 602613217 UENTYVYIEZLDLW-MROQNXINSA-N 248.395 3.522 30 20 BHED C=CCCN(C)[C@@H](C)c1cccc(Cl)c1 606895958 KHNLGUUBOFJTOO-NSHDSACASA-N 223.747 3.909 30 20 BHED C=CC[C@H]1CCCC[C@H]1NCCCCOCC 657847134 UNOZAUSYZGJHFM-LSDHHAIUSA-N 239.403 3.528 30 20 BHED C=C(C)CN(C)[C@H](C)c1cc(C)c(OC)cc1C 682076984 NWPGHVFJMCVDGU-CQSZACIVSA-N 247.382 3.881 30 20 BHED CCCCCCCN(CCC#N)CC1CC1 747963940 ZAULIJCLINOBSD-UHFFFAOYSA-N 222.376 3.582 30 20 BHED C=C(C)CNc1ccc(OC2CCC2)c(F)c1 748449711 SHOUFPSKQHAYKO-UHFFFAOYSA-N 235.302 3.745 30 20 BHED CC#CCCSCCOc1ccc(C)cc1 764940564 NGRVIYSAYXODCK-UHFFFAOYSA-N 234.364 3.520 30 20 BHED CC1(C)CCC[C@@H]1NN=C1CCC12CCCC2 782287752 NYXKDBOCYIUFCZ-LBPRGKRZSA-N 234.387 3.865 30 20 BHED CSCCON=C1CC(c2ccccc2C)C1 794574139 WVMCIBLLCRVTPR-UHFFFAOYSA-N 249.379 3.608 30 20 BHED CC(C)C[C@@H](C)C=NOCCC(F)(F)F 799113780 VBIZVTHBYDSCBL-SECBINFHSA-N 225.254 3.623 30 20 BHED C#Cc1ccc(CN2C3CCCC2CCC3)cc1 809583312 KIZSSNZHHCULOP-UHFFFAOYSA-N 239.362 3.575 30 20 BHED C#C[C@H](N[C@H](CC)Cc1cccs1)C(C)(C)C 809780926 AONYNCSGGKNEFW-OCCSQVGLSA-N 249.423 3.707 30 20 BHED C=CCCCCCCCNC(=O)NC(C)(C)C 811656187 GQGHFKCHIFQQJY-UHFFFAOYSA-N 240.391 3.611 30 20 BHED CCOc1ccc(S[C@H]2CC[C@H](C#N)C2)cc1 828911053 IERWBHMNEDZERY-FZMZJTMJSA-N 247.363 3.870 30 20 BHED CCCC(=NOC1CCOCC1)C1CCCC1 834971200 BGQYYVPNWYQBQA-UHFFFAOYSA-N 239.359 3.528 30 20 BHED CC(C)ON=C1CCC[C@H](c2cccnc2)C1 835003662 XCQQCWNJRCDVHY-LBPRGKRZSA-N 232.327 3.520 30 20 BHED C=COc1ccc(NCCCC(C)(C)C#N)cc1 841701932 VFMPZTJPQBTVQX-UHFFFAOYSA-N 244.338 3.951 30 20 BHED CCCCCCCNC(=O)CC[C@@H](C)SC 862357863 KAHAIRPHZBZHLM-GFCCVEGCSA-N 245.432 3.605 30 20 BHED COc1cc(OC[C@@H](C)CC(C)C)ccc1C#N 1166084426 AMWGKDDSAJRLFT-LBPRGKRZSA-N 247.338 3.628 30 20 BHED CCC(=NOC(C)(C)C)c1cccc(C)c1 1322039812 KPNSCNAOGKUWRP-UHFFFAOYSA-N 219.328 3.924 30 20 BHED C=C(C)CCNC(=O)[C@@H](CC)CCCCC 1330800891 VISRMTPCHPMJNR-ZDUSSCGKSA-N 225.376 3.675 30 20 BHED Cc1c(C#N)cccc1NC[C@H]1C[C@H]2CC[C@H]1C2 1474164788 YVQTXNZVJBPNLX-KCQAQPDRSA-N 240.350 3.715 30 20 BHED CC(C)CCCC=NNc1ccccc1C(=O)O 1776031039 JLBOHKMZYOMBSM-UHFFFAOYSA-N 248.326 3.609 30 20 BHED C=C(Cl)CNc1cccc(Cl)c1C 37488473 GLMHRSBKXFZDSL-UHFFFAOYSA-N 216.111 3.813 30 20 BHED C=CCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 48043330 ZSMJSSCGAJYACW-RISCZKNCSA-N 231.339 3.553 30 20 BHED C=CCN(C(=O)c1cccs1)c1ccccc1 58505093 URTVFAOVJAQEGP-UHFFFAOYSA-N 243.331 3.581 30 20 BHED C=CCCCOc1cccc2c1CCCC2=O 88152699 XNJRXFNNINHSCF-UHFFFAOYSA-N 230.307 3.551 30 20 BHED CC[C@@H](C)CN(CC)c1cccc(F)c1C#N 93406698 VYZKTDRLTVTYTQ-LLVKDONJSA-N 234.318 3.570 30 20 BHED C=CCNc1ccccc1N1CCCCCC1 174939916 KKOCSAMKEGXHHW-UHFFFAOYSA-N 230.355 3.665 30 20 BHED CC(C)=CCC[C@@H](C)CCNC[C@@H](C)C#N 193312630 ZXLCRGUKVHJGRD-KGLIPLIRSA-N 222.376 3.508 30 20 BHED C=CCOCCOc1ccc(C(C)(C)C)cc1 201738021 STAXXNKZQISLFY-UHFFFAOYSA-N 234.339 3.566 30 20 BHED C=CCCCNc1ccc(Cl)c(OC)c1 227934005 PRBANUBUWPQZGF-UHFFFAOYSA-N 225.719 3.727 30 20 BHED Cc1nsc(NCC2(C)CCCCC2)c1C#N 235975554 DUSZACXQPSKFKO-UHFFFAOYSA-N 249.383 3.706 30 20 BHED CCCCCCC[C@H](C)N[C@@H]1CCCC[C@H]1O 250831773 RRZONJNTUDQFID-RRFJBIMHSA-N 241.419 3.629 30 20 BHED C[C@@H](CCC#N)N(C)Cc1cc2ccccc2o1 299208259 HEARHEPTMKRQNQ-LBPRGKRZSA-N 242.322 3.557 30 20 BHED CC[C@@H](C)[C@H](C)Nc1snc(Cl)c1C#N 301737613 CCBJRHONQHTFMC-RQJHMYQMSA-N 243.763 3.515 30 20 BHED C=C(Cl)CN[C@@H](CCC)c1ccsc1 308715229 AWSVOEMZCGLMEV-NSHDSACASA-N 229.776 3.931 30 20 BHED C#CCCCCN[C@@H](CC)[C@H](C)CCC 309098104 FPNRNEXSNSTGKR-KGLIPLIRSA-N 209.377 3.594 30 20 BHED C=CCCCCNCc1ccccc1OC(C)C 381133339 MHOHOXDAIGQIEZ-UHFFFAOYSA-N 247.382 3.920 30 20 BHED CCCC[C@H](C)C(=O)Nc1cccc(C#N)c1C 409993393 OXJKCDHBBPLWLF-NSHDSACASA-N 244.338 3.632 30 20 BHED C=CC(C)(C)C(=O)N[C@@H](CCC)C1CCCC1 411122135 NHZJNLXNAWGMOK-ZDUSSCGKSA-N 237.387 3.674 30 20 BHED CC(C)(C)CSCc1cc(C#N)ccc1F 440601038 SKFXIKCCSMTVNR-UHFFFAOYSA-N 237.343 3.977 30 20 BHED N#Cc1c(Cl)cccc1N[C@@H]1CC[C@H](F)C1 450534804 IDNUBGKLVKFHOG-DTWKUNHWSA-N 238.693 3.514 30 20 BHED C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[C@H](C)C1 456981671 OCXLUXRILFCKEM-AVGNSLFASA-N 237.387 3.530 30 20 BHED C=CCCCC(=O)N(C)CCC1CCCCC1 479567352 NXRXRGCXXWCGEB-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C=CC[C@H](CC)NC(=O)Nc1cc(C)cc(C)c1 500102352 CJGIEAABMLJKRC-ZDUSSCGKSA-N 246.354 3.780 30 20 BHED C=C(C)CCN(Cc1ccc(OC)cc1)C1CC1 509853144 LCLOJGDZHPHLCF-UHFFFAOYSA-N 245.366 3.626 30 20 BHED C=CCC[C@H](CC)N[C@H]1c2ccccc2O[C@@H]1C 574960818 CINBLANHGBVOPU-DVOMOZLQSA-N 245.366 3.843 30 20 BHED Cc1ccc(CSCC2(CC#N)CC2)cc1 596322638 ACNNQSYOTBLULG-UHFFFAOYSA-N 231.364 3.922 30 20 BHED CC[C@@H](C)[C@H](C)N(CC1(CC#N)CC1)C1CC1 602772643 MIZHIBTXDLWGJG-OLZOCXBDSA-N 234.387 3.579 30 20 BHED C=CCCCN(C1CCCCC1)C1CC1 605149900 MVUTVUUJROFFKP-UHFFFAOYSA-N 207.361 3.750 30 20 BHED C=CC(C)(C)CN[C@H](CC)Cc1cccs1 648733015 CZINZNWTWYJLEN-GFCCVEGCSA-N 237.412 3.871 30 20 BHED C=CC[C@@H]1CCCC[C@H]1N[C@@H]1C[C@H]1c1ccco1 658039311 XXRRAOFXOSTJDG-KBUPBQIOSA-N 245.366 3.860 30 20 BHED CCCCCCCC(=O)NC[C@H]1CC1(C)C 732796002 DVXPLAXFVFHPAP-GFCCVEGCSA-N 225.376 3.509 30 20 BHED C#CCCOC(=O)[C@H](CCC)CC1CCCC1 733683355 VCEZKJILTUBPRL-CQSZACIVSA-N 236.355 3.550 30 20 BHED C=CCCCOC(=O)C12CC3CC(CC(C3)C1)C2 735528733 RNTIPXYIXGKBML-UHFFFAOYSA-N 248.366 3.712 30 20 BHED CCc1ccc(C(C)=NO[C@@H]2CCCCO2)cc1 755818237 QFYLKSKZHJKRGY-OAHLLOKOSA-N 247.338 3.516 30 20 BHED C#CC[C@H](N[C@H]1CCC[C@H]1C)c1ccccc1 773117033 SZCSNODIILXMFH-KBMXLJTQSA-N 227.351 3.529 30 20 BHED CCC(=NOC1CCCC1)c1cccs1 774609200 UKFZGJQMMDBGOW-UHFFFAOYSA-N 223.341 3.821 30 20 BHED C=CCC[C@H](C)Nc1cc(F)c(OC)cc1C 775563866 STKLESAICYIFNC-NSHDSACASA-N 237.318 3.909 30 20 BHED C=C(C)CSCc1ccc(N(C)C)cc1 783462434 UTJBTLWBUXRUEJ-UHFFFAOYSA-N 221.369 3.562 30 20 BHED CCCCCCCNC(C)(C)C1CCOCC1 786155663 BVRGBDMNSOXTFW-UHFFFAOYSA-N 241.419 3.752 30 20 BHED C[C@H](C=NNc1nc2ccccc2[nH]1)C(C)(C)C 800805517 ZKXBCPCDEOISFP-SNVBAGLBSA-N 244.342 3.643 30 20 BHED C=CCCCCCCNC(=O)C[C@H](C)C1CC1 805217702 IJJFYUIKSCAHBI-ZDUSSCGKSA-N 237.387 3.675 30 20 BHED Cc1ccc(C)c(OC(=O)CCCCCC#N)c1 805847025 GQJPXCFSQUIFJN-UHFFFAOYSA-N 245.322 3.683 30 20 BHED Clc1cc(NN=C2CCCC2)cc(Cl)n1 819832441 SCDRDKPZOCWJGM-UHFFFAOYSA-N 244.125 3.730 30 20 BHED CCC(=NNc1cc(Cl)ccn1)C1CCC1 834970554 NDPCCIUIFORSLI-UHFFFAOYSA-N 237.734 3.713 30 20 BHED Cc1cccnc1[C@H]1CCCC(=NOC(C)C)C1 835001067 BKNFBHSOPOOONM-ZDUSSCGKSA-N 246.354 3.829 30 20 BHED CC(C)=CCC/C(C)=C\C=NNc1ccncn1 835001335 HMOHLTWAKLQQRU-LUPORIAKSA-N 244.342 3.567 30 20 BHED C=CC(C)(C)CC(=O)N(C1CC1)[C@H](C)C(C)C 888133014 PBXNBLMKHPULCU-GFCCVEGCSA-N 237.387 3.624 30 20 BHED CCCCCCCCCN(C)c1ncccn1 918736344 XZAAFOZBGDHREP-UHFFFAOYSA-N 235.375 3.663 30 20 BHED CC(C)(C)CC(C)(C)Nc1ncc(C#N)cc1F 1158188363 DHPDVLPRJOBJCC-UHFFFAOYSA-N 249.333 3.719 30 20 BHED CC[C@H](N[C@H](C)CC(C)(C)C#N)[C@H]1CC1(C)C 1182445155 WUGOGLABVWMVET-UPJWGTAASA-N 236.403 3.729 30 20 BHED CC(C)(C)ON=C1CCC[C@@H](C2CC2)C1 1319803262 GOCGYKUVDIFORX-LLVKDONJSA-N 209.333 3.758 30 20 BHED CCCCC[C@@H](C)Nc1cccc(CC#N)n1 1324590365 XNQGKXLBAJBFHH-GFCCVEGCSA-N 231.343 3.528 30 20 BHED CC(C)(C)C[C@@H]1C[C@H]1Nc1cccc(F)c1C#N 1472825243 ZYWYZJVOBQXOEF-IINYFYTJSA-N 246.329 3.934 30 20 BHED CC(C)C1(C)CCN(C[C@@H](C)CCC#N)CC1 1652264934 VKBOFPKCOVEVBY-AWEZNQCLSA-N 236.403 3.684 30 20 BHED C[C@@H](NC1CCCCCC1)c1ccc(C#N)cc1 20122609 RBPNXYKENDDAOV-CYBMUJFWSA-N 242.366 3.932 30 20 BHED O=C1/C(=C\c2ccsc2)CCc2ccccc21 38156247 JCQSAWCIZPUUBS-LCYFTJDESA-N 240.327 3.961 30 20 BHED CCCCCN(Cc1cccc(C#N)c1)C(C)C 47958709 BQRVTOOXJLHRGX-UHFFFAOYSA-N 244.382 3.959 30 20 BHED C=C(C)CSc1nc(C)nc2ccccc12 72205057 PFCOECUYBAURMR-UHFFFAOYSA-N 230.336 3.606 30 20 BHED C#CCCCCN[C@@H](C)CCc1ccc(F)cc1 90397399 CLLCQLJLMJRRAH-AWEZNQCLSA-N 247.357 3.540 30 20 BHED Cc1cccc(CNc2ccc(F)cc2C#N)c1 113317178 IQFOGDPAECKVDQ-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=CCC[C@@H](NCc1cccs1)C1CC1 119857198 FHQBOAHUIDCIOZ-CYBMUJFWSA-N 221.369 3.583 30 20 BHED N#Cc1cc(F)ccc1CSCc1ccco1 128557957 GCPBNRXDTAOCFI-UHFFFAOYSA-N 247.294 3.724 30 20 BHED C=CCC[C@H](Nc1cc(C)ccn1)C1CC1 134072383 YIEZKPKFJNPNDZ-ZDUSSCGKSA-N 216.328 3.547 30 20 BHED C=C(C)CSCc1cnc(Cl)s1 161905168 DAFIPULPMFARDM-UHFFFAOYSA-N 219.762 3.606 30 20 BHED C[C@@H](NCC(C)(C)C#N)c1ccccc1Cl 163913606 HLCXIQWAKZEUEM-SNVBAGLBSA-N 236.746 3.540 30 20 BHED CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1 164613091 QBQIGXTTZWPGPB-JGGQBBKZSA-N 242.366 3.788 30 20 BHED CC(C)(C)CCCNCc1cc(C#N)cs1 165164873 WMAXLJLEXFIDID-UHFFFAOYSA-N 236.384 3.536 30 20 BHED CC[C@H](NCCCCC#N)c1ccc(F)cc1 172620650 VQDLQTQYOCFNNO-AWEZNQCLSA-N 234.318 3.560 30 20 BHED C#CCCCNC(=O)[C@@H](CCC)CC1CCCC1 172925559 UKRVZJIUIDASMG-HNNXBMFYSA-N 249.398 3.513 30 20 BHED C#CCCCC(=O)N1CCCC[C@@H]1CCC(C)C 190388112 ZOHMUOADYBOHJZ-OAHLLOKOSA-N 249.398 3.607 30 20 BHED C=CCCCCCN[C@H](C)c1nc(C)cs1 194359056 JFNKFKOUMAOSAP-GFCCVEGCSA-N 238.400 3.849 30 20 BHED Cc1ccc(C(=O)/C=C\c2scnc2C)cc1 255496662 VWCDXDXHDDJWPK-FPLPWBNLSA-N 243.331 3.656 30 20 BHED Cc1csc(CNc2ccc(C#N)cc2)c1 344626814 LGLMDOHJAFMUBK-UHFFFAOYSA-N 228.320 3.540 30 20 BHED C=CC[C@H](C)N[C@@H]1CC(C)(C)Cc2occc21 358034479 HBKVNAXPRAFIPR-WCQYABFASA-N 233.355 3.847 30 20 BHED C#CC[C@H](NC(CC)CC)c1ccccc1 381343593 YGGWACZIOAFLKF-HNNXBMFYSA-N 215.340 3.529 30 20 BHED CCCC[C@H](CC)NCCc1cccc(C#N)c1 467436412 BQKOMHWPODTFOP-INIZCTEOSA-N 244.382 3.659 30 20 BHED C=CCC[C@H](CCC)NCCc1cccc(C)n1 475272894 CLBUJZIPWFTARO-HNNXBMFYSA-N 246.398 3.657 30 20 BHED C=CCOCCCSCCC1CCCC1 479600041 QFMFKOOQPQVKDC-UHFFFAOYSA-N 228.401 3.893 30 20 BHED C=CCN(CC=C)C(=O)[C@H](CC)CC1CCCC1 513433294 XELNETUSVLQJNC-OAHLLOKOSA-N 249.398 3.794 30 20 BHED CC[C@H](N[C@H](C#N)C1CCCCC1)C(C)(C)C 523740668 YRJKLJQUXQMJDZ-KGLIPLIRSA-N 236.403 3.873 30 20 BHED C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCC1(C)C 567017592 CRIFQMVUVVTGLT-WFASDCNBSA-N 237.387 3.531 30 20 BHED C[C@H](CCC#N)CN1C[C@@H](C)[C@@H]1c1ccccc1 602483616 NCBDXGNCWLPTQS-IIAWOOMASA-N 242.366 3.619 30 20 BHED CC1(C)CCCC1=NNc1nc2ccccc2[nH]1 749858226 KSEIETGWXBPSEK-UHFFFAOYSA-N 242.326 3.541 30 20 BHED Fc1cccc(NN=C2CC3(CCC3)C2)c1 772841736 UVBDSESSYAFZFC-UHFFFAOYSA-N 218.275 3.558 30 20 BHED C#CCCCCN[C@@H](CC)Cc1ccc(C)cc1 773038574 UDVJTXIKUJMUCH-KRWDZBQOSA-N 243.394 3.709 30 20 BHED CC1(C)CCCC[C@@H]1NN=C/C=C\c1ccco1 773123562 ABDJHQYGTHHQBH-TWJGBOFVSA-N 246.354 3.837 30 20 BHED CC1=CCC[C@H](C)[C@@H]1C=NOCCC(F)(F)F 777462776 LTSQFLMCNLTKQM-WDEREUQCSA-N 249.276 3.934 30 20 BHED C#CCCCN1CC[C@@H](c2ccc(C)cc2C)C1 791605452 LNBFZXIEQLIPBR-MRXNPFEDSA-N 241.378 3.506 30 20 BHED C=CCCCCCCN[C@H](C)C1CCOCC1 806168402 KVWAHHPJQUKKHL-CQSZACIVSA-N 239.403 3.528 30 20 BHED C=CCCCCCCCN[C@@H](C)c1ncc[nH]1 810243164 MEUUDMJRPZBVPS-ZDUSSCGKSA-N 235.375 3.587 30 20 BHED Cl/C=C\CON=Cc1cc2ccccc2o1 811670134 YJPWNHLSSFFAOX-NNKWFWPSSA-N 235.670 3.536 30 20 BHED Cc1cccnc1NN=C1C[C@@H](C)CC[C@H]1C 834974105 XXOZMWJOAFJVRW-WDEREUQCSA-N 231.343 3.614 30 20 BHED C[C@@H]1CCCCN1N=C[C@H]1C[C@@H]1c1ccccc1 853379075 FTFZKWVPRGFUHA-FVQBIDKESA-N 242.366 3.650 30 20 BHED CC#CCCCCOC(=O)C[C@H](C)c1ccco1 860665102 AEZCCCRQKBZUDI-ZDUSSCGKSA-N 248.322 3.510 30 20 BHED C=C1CC(c2noc([C@H](C)c3ccsc3)n2)C1 896885053 PRMKWDMROFJCMM-SECBINFHSA-N 246.335 3.717 30 20 BHED C=CCN(C(=O)/C=C(/C)C1CC1)c1ccccc1 917633838 DUDBDJKXSSBLHV-SEYXRHQNSA-N 241.334 3.562 30 20 BHED C=C(Cl)CN1CCC(C)(C)CC(C)(C)C1 1307920966 QLGVOAKBSNERAW-UHFFFAOYSA-N 229.795 3.887 30 20 BHED C=CCN1C[C@@H]2CCCC[C@]21c1ccccc1 1319808238 LDTOBOHBGBQQHJ-HOTGVXAUSA-N 227.351 3.574 30 20 BHED CCCc1ccn(CCCCC2(C#N)CCC2)n1 1336077356 IZPOHOMPPSROGK-UHFFFAOYSA-N 245.370 3.700 30 20 BHED CCC[C@H](C)CC(=O)O[C@H](CC#N)c1ccco1 1346720804 ZBWHUEWXOWRCMQ-WCQYABFASA-N 249.310 3.604 30 20 BHED CC(C)(C#N)CCCOc1ccc(F)c(F)c1 57713499 VUMBWYHOLFTJEA-UHFFFAOYSA-N 239.265 3.674 30 20 BHED C[C@H]1C[C@@H](C)CN(c2cc(Cl)ccc2C#N)C1 62789843 CTKCXPDRPDSARX-PHIMTYICSA-N 248.757 3.694 30 20 BHED C=C(CC)CN[C@H](C)c1ccccc1Cl 85057967 JOIAPPDFKRBSQN-LLVKDONJSA-N 223.747 3.957 30 20 BHED Cc1cccc(/C=C/C(=O)c2cccnc2)c1C 108658537 ZPJJKOWGDMOTFN-CMDGGOBGSA-N 237.302 3.595 30 20 BHED C=CCC[C@H](C)N[C@@H](C)C1CCCCC1 126668391 KZVBZCBIVDQNAM-STQMWFEESA-N 209.377 3.900 30 20 BHED C=CCC[C@@H](C)N[C@H](C)c1cccc(OC)c1 135712981 CNJRBSFOURBXTA-CHWSQXEVSA-N 233.355 3.701 30 20 BHED C#CCCCN[C@@H]1C[C@H](c2ccccc2)C1(C)C 184560155 NQLXWQDDRJPHIU-HZPDHXFCSA-N 241.378 3.572 30 20 BHED C=C(C)CN(CC)[C@H](C)c1ccc(F)c(F)c1 195732902 LWALDKYDQBMLLF-LLVKDONJSA-N 239.309 3.924 30 20 BHED CCCCCCCCNCC1(SC)CC1 232922232 OABBYHOIHAFTSZ-UHFFFAOYSA-N 229.433 3.832 30 20 BHED C=CCCCCCN[C@H](C)c1c(C)noc1C 235204394 KSKQKVSOPKZSME-LLVKDONJSA-N 236.359 3.688 30 20 BHED C=CCC[C@@H](CC)Nc1cccc(OCC#N)c1 274042677 AXDIDBVNIBRGPD-CYBMUJFWSA-N 244.338 3.746 30 20 BHED C[C@H](N[C@@H]1CCC12CCC2)c1ccc(C#N)cc1 282040171 FXVCOAIAUKPQKD-SWLSCSKDSA-N 240.350 3.542 30 20 BHED CCC(C)(C)CC(=O)Nc1cc(C#N)ccc1C 330941099 YHGVBYHSOMDVBA-UHFFFAOYSA-N 244.338 3.632 30 20 BHED F[C@H](CSCCC(F)(F)F)C(F)(F)F 336971779 POPTVVQWWQEONX-SCSAIBSYSA-N 244.175 3.572 30 20 BHED C=CCOc1cccc(CNCCC2(C)CC2)c1 355145578 BEJKPAMJZPXVEY-UHFFFAOYSA-N 245.366 3.531 30 20 BHED C=CCC[C@@H](CC)NC1CCC(F)(F)CC1 381537705 GKRSIEXWNIMJNM-LLVKDONJSA-N 231.330 3.899 30 20 BHED C=C[C@H]1CCCCN1Cc1ccc(C)s1 426562386 RTUYPVDWLFOTTC-LBPRGKRZSA-N 221.369 3.597 30 20 BHED C[C@@H]1CCCC[C@@H]1CCN[C@H]1CCC[C@@H](C#N)C1 447527155 FIUGYJRVPVEODS-FPCVCCKLSA-N 248.414 3.875 30 20 BHED C=CC[C@@H](C)N[C@@H](C)Cc1coc2ccccc12 449148971 LUKMBQHSONLMBF-OLZOCXBDSA-N 243.350 3.918 30 20 BHED C=CCC1(NC(=O)[C@H](C)C(C)C)CCCCC1 456359781 CLECZBFDMJJNLN-CYBMUJFWSA-N 237.387 3.674 30 20 BHED C=CC1CCN([C@H](C)Cc2ccsc2)CC1 541224023 QOBQMWSFIJIWDS-GFCCVEGCSA-N 235.396 3.577 30 20 BHED C=CCC[C@H](NC1CC(C(F)(F)F)C1)C1CC1 558294621 FKCYNZBTCDWOJG-MCIGGMRASA-N 247.304 3.662 30 20 BHED C=CCC(C)(C)c1noc(C2(CCC)CC2)n1 560027108 JGWQZMKKFMXGAP-UHFFFAOYSA-N 234.343 3.755 30 20 BHED CCC(CC)N(CC)Cc1ccc(C#N)c(F)c1 572053342 NVSIXXIONQMQKB-UHFFFAOYSA-N 248.345 3.708 30 20 BHED C=CCC(C)(C)c1noc(-c2oc(C)cc2C)n1 583826952 ISEWVEGCNBVLPS-UHFFFAOYSA-N 246.310 3.800 30 20 BHED C[C@H](CCC#N)CN1C[C@@H](C)[C@H]1c1ccccc1 602483614 NCBDXGNCWLPTQS-FMKPAKJESA-N 242.366 3.619 30 20 BHED C=C(C)CCNC[C@@H](C)c1ccc(C)cc1 628298627 MIRPBJJFBTWUAF-CQSZACIVSA-N 217.356 3.654 30 20 BHED CCCCCC=NNc1ncnc2ccsc12 755793193 MKXJKZCTFCFASU-UHFFFAOYSA-N 248.355 3.669 30 20 BHED C[C@H]1C[C@@H]1C=NNc1ccccc1C(F)(F)F 758359230 PCTOEKOQKNJISM-DTWKUNHWSA-N 242.244 3.759 30 20 BHED CCCCCCCSC[C@@H]1CCCO1 764639113 CWQUCQBXRNEHHW-LBPRGKRZSA-N 216.390 3.869 30 20 BHED C=CCN(C(=O)C[C@@H](C)CCCCC)C1CC1 771818954 OCXJLAFUSCTERK-ZDUSSCGKSA-N 237.387 3.770 30 20 BHED CCCCCC[C@H](C)NN=Cc1ncccc1C 781592143 BUULFRSAKUUWRD-AWEZNQCLSA-N 247.386 3.672 30 20 BHED CCCCNN=C(CC(C)(C)C)C1CC1 787153227 JZCAGSAYZZVLDQ-UHFFFAOYSA-N 210.365 3.578 30 20 BHED Cc1cccc(NN=C[C@]2(C)CCCS2)c1 792873065 SBYNYHHMTFWPHF-ZDUSSCGKSA-N 234.368 3.678 30 20 BHED CC[C@@H](C)CON=Cc1ccc2cnccc2c1 793164608 WIDVASQFDHXJBE-GFCCVEGCSA-N 242.322 3.631 30 20 BHED CCCNN=C1CCC[C@H](CC(C)C)C1 794493581 JYGUXLAKLPRVSG-GFCCVEGCSA-N 210.365 3.578 30 20 BHED CC[C@H]1C[C@@H](C)CCC1=NNc1cccc(F)n1 795009627 FSARILPWBQXHHA-QWRGUYRKSA-N 249.333 3.835 30 20 BHED CC(C[C@H](C)CC(C)C)=NN[C@H]1CCSC1 808003570 POXFTKKCFRSFHA-YPMHNXCESA-N 242.432 3.530 30 20 BHED C=CCC1(NC(=O)OC2CCC2)CCCCC1 832437933 XUGIVBSDOFOZDY-UHFFFAOYSA-N 237.343 3.544 30 20 BHED C=C(C)CCN[C@@H](C)c1cc(Cl)ccc1O 834882536 RMCUUONEDMGNNT-JTQLQIEISA-N 239.746 3.662 30 20 BHED CC(C)=CCCC(C)=NN[C@H](C)C(F)(F)F 835002644 UTHPZAOWKFEHHC-SNVBAGLBSA-N 236.281 3.649 30 20 BHED CC(C)CC[C@H](NCC1(C#N)CC1)c1ccoc1 903107052 ZPKAEQODNUBCJO-AWEZNQCLSA-N 246.354 3.650 30 20 BHED Cc1ccc(C)c(NN=Cc2ccc(F)cc2)c1 916345801 MPBNZGAUHQHGMK-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C=C[C@H](CC)CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 933005476 ORHFRVSKAFAMDD-APIJFGDWSA-N 249.398 3.768 30 20 BHED C[C@H]1CC(=NOC(C)(C)C)c2ccccc21 1342843906 RUFKHNJMYHIJNN-JTQLQIEISA-N 217.312 3.713 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)CCCCC 1347510951 KSLLVPWJBOCMFY-CYBMUJFWSA-N 223.360 3.524 30 20 BHED C[C@@H](C#N)CN(CCC1CCCCCC1)C1CC1 1642560536 XWNMUEVOJPXXHU-AWEZNQCLSA-N 248.414 3.971 30 20 BHED C=C(Cl)CN[C@H](C)c1ccccc1Cl 42224773 MYFVRWYKSKPALG-SECBINFHSA-N 230.138 3.743 30 20 BHED CC[C@H]1CCCC[C@@H]1NCc1ccccc1C#N 42579579 VFBJKSHNFUPLHI-BBRMVZONSA-N 242.366 3.617 30 20 BHED C=C(C)CNc1ccc(Br)cc1F 49136543 IELWXGQRUXMKGI-UHFFFAOYSA-N 244.107 3.576 30 20 BHED C=C(Cl)CNCc1cccc2ccccc12 52061644 OTLPIXNFVLSMTC-UHFFFAOYSA-N 231.726 3.682 30 20 BHED CC[C@H](C)CN(CC)Cc1cc(C#N)ccc1F 93250953 OOCOPMWXDWUMFO-LBPRGKRZSA-N 248.345 3.565 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc(CCC)cc1 157245038 YRRXDCMRTOOPJX-CHWSQXEVSA-N 217.356 3.864 30 20 BHED CC(C)C[C@H](NCCCC#N)c1ccccc1 180760406 LOEJLIQKOGDAJX-HNNXBMFYSA-N 230.355 3.667 30 20 BHED C#CCCCCNCc1ccc(C)c(Cl)c1 235774162 GNBNHWYHRCNKDE-UHFFFAOYSA-N 235.758 3.542 30 20 BHED N#C[C@H]1CC[C@@H](SC2=Nc3ccccc3C2)C1 278683557 YSAJAJZLNZNBHY-CMPLNLGQSA-N 242.347 3.698 30 20 BHED CCC(CC)CNc1snc(Cl)c1C#N 301167640 DDWYFCDRQFDTBJ-UHFFFAOYSA-N 243.763 3.516 30 20 BHED C=CCC[C@@H](NCCC(C)(C)C)C1CC1 309085924 XMMOZOIHYNRWLO-CYBMUJFWSA-N 209.377 3.757 30 20 BHED C[C@@H](NC1CCC(C)(C#N)CC1)c1ccccc1 336226234 OYIBTVVRYUXDNL-IUDNXUCKSA-N 242.366 3.810 30 20 BHED CC(C)(CC#N)CN[C@@H]1CCCc2ccccc21 414167409 PFAIXJASDPCQDJ-OAHLLOKOSA-N 242.366 3.593 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccc2[nH]ccc2c1 424567013 SACLUCYADRJBRM-UHFFFAOYSA-N 242.322 3.709 30 20 BHED C=C(C)CN(C)C[C@@H](CC)c1ccccc1 497160987 KNWBWCNJLSTKPA-CQSZACIVSA-N 217.356 3.688 30 20 BHED CC(C)C1CCC(CN[C@H]2CC[C@H](C#N)C2)CC1 511990543 OPFSLOQVUQHSJT-GRAKBVBRSA-N 248.414 3.731 30 20 BHED C=CCCC(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C 580913724 SWQQKSFPVTYYQX-OLZOCXBDSA-N 237.387 3.626 30 20 BHED C[C@@H]1CCCC[C@@H]1CSCC1(C#N)CC1 596376093 FVFYZPAVQYMZAR-VXGBXAGGSA-N 223.385 3.850 30 20 BHED CC[C@H](CC#N)NC1CCC(=C2CCC2)CC1 602611887 MKIFHSGCDAZSIP-CQSZACIVSA-N 232.371 3.691 30 20 BHED C=CCCCN1C[C@H](c2ccc(F)cc2)C[C@H]1C 605768419 MSUJUDOGQKSERK-UKRRQHHQSA-N 247.357 3.970 30 20 BHED CC(C)(C)OCCCSCCCCC#N 610798059 RPJVIIRTOUWIIZ-UHFFFAOYSA-N 229.389 3.619 30 20 BHED C=CC[C@H](C)NC(=S)Nc1cccc(C)c1C 734986051 JLUGSAUTNXXXGH-NSHDSACASA-N 248.395 3.554 30 20 BHED CC(C)CC=NNc1cccc(C(F)(F)F)n1 739422351 XHXKGLXIYGHJDQ-UHFFFAOYSA-N 245.248 3.544 30 20 BHED CC1(C)CCCC1=NNc1ccc(F)cc1 749853692 UAVMBZXHXOJNLO-UHFFFAOYSA-N 220.291 3.804 30 20 BHED C#CCCSc1ncc(C(C)(C)C)s1 751784782 CZXJRHXFRMUQHX-UHFFFAOYSA-N 225.382 3.556 30 20 BHED C#CCCCC(=O)Nc1c(C)cc(C)cc1Cl 757804801 GODWBJPJTDNMOT-UHFFFAOYSA-N 249.741 3.699 30 20 BHED C=CC[C@H](N[C@@H](C)c1ccco1)c1ccncc1 766017821 DWWSGSPFCPEDSY-JSGCOSHPSA-N 242.322 3.643 30 20 BHED C[C@@H]1CCCC(=NNc2cc(Cl)ccn2)C1 777912801 DVCFQTXWGLEYLW-SECBINFHSA-N 237.734 3.713 30 20 BHED C=CCCCC(=O)OCc1ccc(F)cc1C 784266776 QWKIXYOWVDYGIA-UHFFFAOYSA-N 236.286 3.534 30 20 BHED CC[C@H](C)NN=C(C)[C@@H](C)c1ccc(OC)cc1 790188294 ILFIWCAVSBQWDV-NWDGAFQWSA-N 248.370 3.563 30 20 BHED CC(=NOC/C=C/Cl)C1CCCCC1 811672130 QUGRMZASNNACGS-RTBKZALTSA-N 215.724 3.712 30 20 BHED CC1(C)CC(=NNc2ccc(Cl)cc2)C1 814683920 WFZMTYDYPZNEHW-UHFFFAOYSA-N 222.719 3.928 30 20 BHED Cc1ccc(C)c(NN=C2CC[C@@H](C)C2)c1 814753720 WXHJYXQTCJVYQM-SNVBAGLBSA-N 216.328 3.891 30 20 BHED C[C@H](NN=C1CCC[C@H](C)[C@@H]1C)c1ccncc1 819816981 TYTSZEFWDWOPPY-AVGNSLFASA-N 245.370 3.544 30 20 BHED CC[C@@H](CC#N)OC(=O)c1ccccc1C(C)C 850979089 HTQRSZCDEIUVFG-LBPRGKRZSA-N 245.322 3.659 30 20 BHED CCC(=NNc1ccnc(Cl)c1)[C@H]1C[C@H]1C 853396527 BKFLXDPOGKCOPY-SCZZXKLOSA-N 237.734 3.569 30 20 BHED CCC[C@H](CC)C(=O)OCC(C)(C)CCC#N 873527567 XRANUWWEFMCOAK-LBPRGKRZSA-N 239.359 3.686 30 20 BHED CCC[C@@H](NCC1(C#N)CCC1)c1ccsc1 903032958 NIGHDMDIQLCXAM-CYBMUJFWSA-N 248.395 3.873 30 20 BHED C=C[C@H](CC)CC(=O)Nc1cccc(F)c1F 930926786 REJIYFMYYOOZOF-SECBINFHSA-N 239.265 3.506 30 20 BHED C=CC[C@@H](C)NC(=O)c1ccc(CC)c(CC)c1 1116481409 NBKVQTJQFAVEED-GFCCVEGCSA-N 245.366 3.506 30 20 BHED CC[C@H]1CCC[C@H](CN(CCC#N)CC2CC2)C1 1180030821 QCQHJIKBGICPIT-HOCLYGCPSA-N 248.414 3.828 30 20 BHED CCCCCCCc1nnc(-c2ccncc2)o1 1322670675 FXROCMCXOKRMFW-UHFFFAOYSA-N 245.326 3.645 30 20 BHED N#Cc1ccc(NC[C@@H]2CC=CCC2)cc1Cl 37393167 CMCAQKHVHFUGFW-LLVKDONJSA-N 246.741 3.980 30 20 BHED Cc1cccc(/C=C2\Oc3ccccc3C2=O)c1 44603377 KPTDNIKMKVQUIW-GDNBJRDFSA-N 236.270 3.611 30 20 BHED C=CC[C@@H](C)N[C@@H](CC)c1ccccc1 116907927 CGVMOXMLCCTAGA-OCCSQVGLSA-N 203.329 3.692 30 20 BHED C=C[C@@H](C)N[C@@H](CC)c1ccc(F)cc1F 119343859 MIMPDYIYVIGUMB-RNCFNFMXSA-N 225.282 3.580 30 20 BHED C#Cc1cccc(N[C@H](C)CC2CCC2)c1 132380842 YBASILULWSKCPP-GFCCVEGCSA-N 213.324 3.659 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1cncs1 133077845 UUIAINXZRFULDG-MNOVXSKESA-N 224.373 3.539 30 20 BHED O=C(/C=C\c1ccsc1)C1CCCCC1 144147960 NCBXKJNRMXYFLG-SREVYHEPSA-N 220.337 3.911 30 20 BHED CCN(C[C@@H](C)C#N)[C@@H](C)c1cccc(C)c1 155200542 JWLIRNQNNXOSSB-KBPBESRZSA-N 230.355 3.538 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1 161679058 PNIAXSASGGKYCD-ZJUUUORDSA-N 225.282 3.580 30 20 BHED C=CCC[C@@H](CCC)Nc1cccc(CO)c1 191945831 FQVPPNLNNAYAMQ-CQSZACIVSA-N 233.355 3.726 30 20 BHED CC(C)[C@H](N[C@@H](C)CCC#N)c1ccccc1 276357583 XVJHMNOKUPHJBO-ZFWWWQNUSA-N 230.355 3.666 30 20 BHED CC(C)O[C@@H](CON=C1CCC1)c1ccccc1 291828402 FOMMSKNCMMPEGZ-HNNXBMFYSA-N 247.338 3.709 30 20 BHED CC(C)CC1(CNc2ncccc2C#N)CCC1 301610064 QGDJQIQXDXYLFC-UHFFFAOYSA-N 243.354 3.582 30 20 BHED C=CCCSc1nc2c(cc1C#N)CCCC2 303821031 PGZWNDMLFDKGDK-UHFFFAOYSA-N 244.363 3.500 30 20 BHED C=CC[C@@H](C)NCCc1ccc(F)cc1Cl 309368065 PXFXQEFQJRCCCJ-SNVBAGLBSA-N 241.737 3.576 30 20 BHED C#CCCN[C@H](c1ccc(Cl)cc1)C(C)C 309420953 ZPDBGERLHAVPHN-AWEZNQCLSA-N 235.758 3.650 30 20 BHED C=C(CC)CSCC(=O)c1cc(C)[nH]c1C 358635168 IZPBRQOCJLSXMM-UHFFFAOYSA-N 237.368 3.514 30 20 BHED C/C=C\c1ccc(NC(=O)[C@](C)(C#N)CC)cc1 360328541 ZYVHHNHCNBTTBO-VOKGJARPSA-N 242.322 3.598 30 20 BHED CC(C)[C@@H](C)N(C)CCC1(C#N)CCCCC1 411140655 IBKVSEBTPRUIOI-CQSZACIVSA-N 236.403 3.827 30 20 BHED CCC(CC)[C@H](NCCC#N)c1ccccc1 411446176 IJCFPMTZRPQEKG-HNNXBMFYSA-N 230.355 3.667 30 20 BHED C=C(C)C(C)(C)C(=O)N1CC2(CCC2)[C@@H]1C(C)C 424835050 QXCYBQIMIYSBQO-ZDUSSCGKSA-N 249.398 3.626 30 20 BHED C=C[C@@H]1CCCCN1Cc1oc(C(C)C)nc1C 428986933 RAPYMFIJWACDLE-CYBMUJFWSA-N 248.370 3.647 30 20 BHED COc1ccccc1CSCC1(C#N)CCC1 450841194 BHBJKTQAOUDPGJ-UHFFFAOYSA-N 247.363 3.622 30 20 BHED CC#CCCOc1ccc2ccc(OC)cc2c1 462381291 PKOBZXYTTARFEW-UHFFFAOYSA-N 240.302 3.641 30 20 BHED C=CCN(CC1CCCCC1)C(=O)CC1(C)CC1 469410033 MFWONYCMUIPILV-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CC[C@@H](C)NCc1ccc2c(c1)CCCC2 491294274 ITPCGZQMOWRIDT-CYBMUJFWSA-N 229.367 3.620 30 20 BHED C=CCCCCCSc1cccnc1C#N 520609709 KRFUHKOKFAFJGY-UHFFFAOYSA-N 232.352 3.792 30 20 BHED C=CCN(C)[C@@H](CC)c1ccc(Cl)cc1 548298591 QDBFZIVTCPAECA-ZDUSSCGKSA-N 223.747 3.909 30 20 BHED C=CCOCCSc1ccc(F)c(Cl)c1 555006444 FMEANNMNTVTVCW-UHFFFAOYSA-N 246.734 3.774 30 20 BHED CCCC[C@@H]1CCC[C@@H]1N[C@H]1CC[C@H](C#N)C1 555425105 XXGDVWVRGDNKMD-XGUBFFRZSA-N 234.387 3.627 30 20 BHED C=CCN(CC1CCCCC1)C1CCC1 557047734 CVICUUDNYNHPTH-UHFFFAOYSA-N 207.361 3.607 30 20 BHED C=CCCCCCN1CC[C@H](c2ccncc2)C1 574701132 QWBONHRKDUTIMQ-INIZCTEOSA-N 244.382 3.617 30 20 BHED CC(C)Oc1ccccc1NCC1(CC#N)CC1 594701459 PNSNIHNPTRMUHM-UHFFFAOYSA-N 244.338 3.580 30 20 BHED Cc1ccc([C@@H](C)CN(CCC#N)C(C)C)cc1 600110797 FCWDXPYJOKJKBQ-HNNXBMFYSA-N 244.382 3.723 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2CC)C1 617779366 ZPPRYRAGFDEUCB-KFWWJZLASA-N 249.398 3.627 30 20 BHED C=CCCC(C)(C)NC(=O)c1cc(C)ccc1C 620864213 WFNALJNTCBIFKK-UHFFFAOYSA-N 245.366 3.778 30 20 BHED C=C(C)C(C)(C)c1nc([C@H](C)c2ccco2)no1 621792794 NMIAPAILMQNIQM-SNVBAGLBSA-N 246.310 3.668 30 20 BHED C=CCN(C(=O)[C@H]1CC[C@H](C)CC1)C(C)(C)C 622945651 MHOJAUMYGYNQTL-JOCQHMNTSA-N 237.387 3.626 30 20 BHED C=CCCCNCc1ccsc1C(F)(F)F 623510175 KPVDHHJBVSMNDH-UHFFFAOYSA-N 249.301 3.823 30 20 BHED C=CC[C@@H](C)NCc1cc2c(C)cccc2[nH]1 657364327 XFOFMHAASBCNQK-GFCCVEGCSA-N 228.339 3.531 30 20 BHED CCCCCCCCCOc1nc(C)no1 730730616 FLESXXCOURDTPS-UHFFFAOYSA-N 226.320 3.507 30 20 BHED C=CCCCOC(=O)[C@@H](C)c1ccc(CC)cc1 735534188 PNAZUNSCTZPOMF-ZDUSSCGKSA-N 246.350 3.862 30 20 BHED C=CCCCCCN(C)C(=O)/C=C\CCC 739809894 LDDUGAMUVPUBRT-BENRWUELSA-N 223.360 3.548 30 20 BHED C#CCCOc1cccc(-c2nc(C)cs2)c1 760349561 BYCPIWCBCOEELS-UHFFFAOYSA-N 243.331 3.521 30 20 BHED Cc1cc(F)ccc1NN=C1CC(C(F)F)C1 766025625 SARGFZTYULCLGT-UHFFFAOYSA-N 242.244 3.577 30 20 BHED Cc1ccc(C=NNC2CCCC2)cc1Cl 766447540 OWPUKEWEATZBAD-UHFFFAOYSA-N 236.746 3.515 30 20 BHED Cc1cc(C=NN[C@H](C)c2ccccc2)c(C)o1 767908687 XIZJWRQHAIZJKS-GFCCVEGCSA-N 242.322 3.581 30 20 BHED O=C1/C(=C/c2cccs2)Oc2cc(F)ccc21 773171700 KLBTZGXQYZXCMQ-GHXNOFRVSA-N 246.262 3.503 30 20 BHED C#CCCCCCC(=O)Nc1ccc(C)cc1C 779704220 PJJBWBVWVJTHFJ-UHFFFAOYSA-N 243.350 3.826 30 20 BHED CC[C@@H](C)NN=C(C)[C@@H](C)c1ccc(OC)cc1 790188297 ILFIWCAVSBQWDV-VXGBXAGGSA-N 248.370 3.563 30 20 BHED CC[C@H](C)CON=C1CCC[C@H]1CCCF 793162922 CZGVIUAXLZPOGZ-RYUDHWBXSA-N 229.339 3.955 30 20 BHED C#CCCc1noc(C[C@H](C)CCC=C(C)C)n1 842966438 IUFOUHSCFYCBHD-CYBMUJFWSA-N 246.354 3.560 30 20 BHED C=CCCCC[C@@H](C)NCC1SCCS1 850562781 YUTRNATUERPHJS-LLVKDONJSA-N 245.457 3.517 30 20 BHED C=CCCCC(=O)N1CC(C)(C)CCC1(C)C 862587694 QEDYXSLWQUHUCN-UHFFFAOYSA-N 237.387 3.770 30 20 BHED CCCSC[C@@H](C)Nc1ccc(CC#N)cc1 893576548 RPYYTAYODSWEDD-GFCCVEGCSA-N 248.395 3.696 30 20 BHED C[C@H](NN=C[C@H]1CC=CCC1)c1ccccc1 920385254 AIUZSIUKCKMHAR-KBPBESRZSA-N 228.339 3.679 30 20 BHED CCC(CC)=NN[C@@H](C)c1ccccc1 920385993 MNFIGTOMZGINTB-NSHDSACASA-N 204.317 3.513 30 20 BHED N#CCC1(CN(CC2CC2)C2CCCCC2)CC1 1307456231 KQJGFSMTDNTTHJ-UHFFFAOYSA-N 246.398 3.725 30 20 BHED C=CCC[C@H]1CCCN1C(=O)[C@H](CC)CCC 1514858268 DUBVBYPMGQZYED-KGLIPLIRSA-N 237.387 3.770 30 20 BHED Cc1ccc(C)c(Oc2nc(C)ccc2C#N)c1 43400241 CHXVBNALFWJFAE-UHFFFAOYSA-N 238.290 3.671 30 20 BHED C=CCCCNc1cc(OC)ccc1Cl 70592086 XAYYOISKBNLYGN-UHFFFAOYSA-N 225.719 3.727 30 20 BHED CC(C)CN(CC1(CC#N)CC1)C1CCCC1 94848696 IHVCQYKBLBADNZ-UHFFFAOYSA-N 234.387 3.581 30 20 BHED C=CC1CCN(C(=O)C(C)(C)C2CCCC2)CC1 120281649 QXYVLIWAJFPVHV-UHFFFAOYSA-N 249.398 3.627 30 20 BHED C=C(C)CNCc1ccc(OC)c2ccccc12 122515000 JHEGDWKQTVTVFG-UHFFFAOYSA-N 241.334 3.514 30 20 BHED C=CCC[C@@H](C)Nc1cccc(COC)c1 126890757 YEPYGTAPHILOHB-GFCCVEGCSA-N 219.328 3.600 30 20 BHED N#Cc1ccc(SCC(F)F)c(Cl)c1 154157316 JVALGODWMGYXJL-UHFFFAOYSA-N 233.670 3.569 30 20 BHED Cc1cc(C#N)ccc1COc1ccccc1C 165538711 YGWJKBKQYQTOST-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C=CCCCC(=O)NC(C)(C)c1cccc(C)c1 177872661 LYDUWDVRQYFUQS-UHFFFAOYSA-N 245.366 3.703 30 20 BHED Cc1cccc2c1[C@@H](C)C[C@H]2NCCCCC#N 179418840 GFGBULKOFMZXCS-DZGCQCFKSA-N 242.366 3.827 30 20 BHED N#CCN[C@@H](CC1CCCCC1)c1ccccc1 181825097 DORLINICAWGSBJ-INIZCTEOSA-N 242.366 3.811 30 20 BHED N#CCCCCSCc1c(F)cccc1F 182861239 YRSJEGYFGJUJHM-UHFFFAOYSA-N 241.306 3.892 30 20 BHED C#CCCCC(=O)N(C)c1cccc(C(C)C)c1 192230148 JJXTWFDMVXUQBO-UHFFFAOYSA-N 243.350 3.576 30 20 BHED C=CC(C)(C)C(=O)Nc1ccccc1CCC 298238955 JXIKUTJVWHMLJA-UHFFFAOYSA-N 231.339 3.790 30 20 BHED Cc1cc(Cl)ccc1NCC1(CC#N)CC1 300920448 GUJDKUNPMUBZHH-UHFFFAOYSA-N 234.730 3.754 30 20 BHED CCCCCCCCNC1CC(C(F)F)C1 309601089 XRVYMBCNHNEOFX-UHFFFAOYSA-N 233.346 3.980 30 20 BHED Cc1ccnc(NCC(C)(C)C(C)(C)C)c1C#N 311151467 IYNMJBKDSGZWIB-UHFFFAOYSA-N 245.370 3.746 30 20 BHED C=CCCC(=O)N1CCc2sccc2[C@H]1CC 371523972 MIPPJBDEWRRRAA-GFCCVEGCSA-N 249.379 3.550 30 20 BHED Cc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c(C)c1 424325504 LEUGCIQZFYHLKX-QLFBSQMISA-N 242.366 3.646 30 20 BHED N#C[C@H]1CC[C@@H](SC2CCCCC2)C1 450630181 TZFXTLUIJQVYGG-CMPLNLGQSA-N 209.358 3.745 30 20 BHED C=CC(C)(C)CNC(=O)[C@@H](CC)c1ccccc1 452775760 ISLCONGLSBZPLF-AWEZNQCLSA-N 245.366 3.509 30 20 BHED N#C[C@@H]1CCC[C@H](NCCC2CCCCC2)C1 463291113 YQJDECXWVOUWKM-CABCVRRESA-N 234.387 3.629 30 20 BHED C=C[C@H](C)NC(=O)Nc1cccc(C2CCC2)c1 463848803 WRNOQKSCIVEFOY-NSHDSACASA-N 244.338 3.650 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC(C)(C)C1 467877152 DFIYDQHGVZZVGL-IUODEOHRSA-N 237.387 3.674 30 20 BHED N#Cc1cccc(N[C@H]2CCC[C@H]2C2CC2)c1 468407760 JPBQTZPYYFTLEZ-GJZGRUSLSA-N 226.323 3.549 30 20 BHED C=CCCCCNC(=O)[C@H]1CCCC[C@H]1CC 476747068 OVIVNUCQZJMVNQ-KGLIPLIRSA-N 237.387 3.675 30 20 BHED C=C1CCN([C@H](C)c2ccccc2C)CC1 483388924 BLCSQYAZGIDUOV-CQSZACIVSA-N 215.340 3.708 30 20 BHED C=CCCC1(C(=O)N2C[C@H](C)CCC[C@H]2C)CC1 483657515 SBPOKUZHDBQVHE-ZIAGYGMSSA-N 249.398 3.770 30 20 BHED C=CCCCSCc1ccc(C#N)cc1OC 500867254 MMDZCYIXFBWXNX-UHFFFAOYSA-N 247.363 3.766 30 20 BHED C=C(C)CN(Cc1ccccc1)[C@@H](C)CC 507695932 XZQDUOSDIXUTLT-AWEZNQCLSA-N 217.356 3.863 30 20 BHED C=CCCC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 523284133 VGEQXNICHVCSKS-LBPRGKRZSA-N 249.329 3.701 30 20 BHED C=C(CC)CN(C)[C@@H](C)c1ccc(OC)cc1 536882840 XJZJRHCGFXWOOK-ZDUSSCGKSA-N 233.355 3.654 30 20 BHED C[C@H](CCC#N)N1CC[C@H]1c1ccc(Cl)cc1 591015744 OCPHEVQIEAEJRW-RISCZKNCSA-N 248.757 3.779 30 20 BHED C=CCCCN1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 605768420 MSUJUDOGQKSERK-ZFWWWQNUSA-N 247.357 3.970 30 20 BHED CCC[C@H](CC)N[C@H]1CCc2cc(C#N)ccc21 618805844 PHQCCEICRLFUOI-HOCLYGCPSA-N 242.366 3.714 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H](C)[C@H](C)CC 620858163 YIXAJSPIUFQYAM-VXGBXAGGSA-N 225.376 3.530 30 20 BHED CC(C)CC[C@@H](C)N[C@@H](C)CC(C)(C)C#N 695817914 WQGJQJLDTIRZHD-OLZOCXBDSA-N 224.392 3.729 30 20 BHED COc1cc(F)ccc1NN=C[C@H]1CC=CCC1 761884575 KMVYXOPZZOJYDU-NSHDSACASA-N 248.301 3.588 30 20 BHED C=CCCCCNC(=S)Nc1ccc(C)cc1 769761224 VLECVBOCMHSOAU-UHFFFAOYSA-N 248.395 3.638 30 20 BHED C#CCN(C1CCCC1)[C@@H](C)c1ccccc1 770504403 DWGGKSNHEKQGEQ-AWEZNQCLSA-N 227.351 3.625 30 20 BHED C=C[C@](C)(CC)C(=O)Oc1ccc(F)c(C)c1 786639655 VYCAEBHYDRQBJG-CQSZACIVSA-N 236.286 3.642 30 20 BHED CC[C@H](C)NN=CC1CCC(C)(C)CC1 790187077 DHBXVFYKPVNGPU-NSHDSACASA-N 210.365 3.577 30 20 BHED CC[C@H](C)CON=C(C)c1ccc(Cl)cn1 793159099 KTWKXOUREHDUSP-VIFPVBQESA-N 240.734 3.522 30 20 BHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)CCCCC 797998233 CYWCNUYDZDMVRX-KFWWJZLASA-N 239.403 3.526 30 20 BHED C=C[C@@H]1CCCCN1CC[C@H]1CC1(Cl)Cl 822977200 QAZLNJPJIFLMJY-WDEREUQCSA-N 248.197 3.611 30 20 BHED CC(C)c1ccc(NN=CC2CCOCC2)cc1 835018264 KPWPRRHDTGRWDZ-UHFFFAOYSA-N 246.354 3.634 30 20 BHED CCC(=NNc1ccccc1)[C@H]1C[C@@H]1C 841604078 LUFCLXUZOLJIRB-JQWIXIFHSA-N 202.301 3.521 30 20 BHED CC(CCCCC#N)=NOC1CCCCC1 841634025 OAACGZDUUAYTAA-UHFFFAOYSA-N 222.332 3.796 30 20 BHED C1CC[C@@H](ON=C2CCC(=C3CCC3)CC2)OC1 853325550 MLUHWWQQOJTANF-OAHLLOKOSA-N 249.354 3.940 30 20 BHED C=C(Cl)CSCCCOc1ccccc1 913396322 YMORFSARJAOEPL-UHFFFAOYSA-N 242.771 3.941 30 20 BHED CO[C@@H]1CCC[C@@H](Sc2cccc(C#N)c2)C1 1472997543 WOFIQBDYPRNSST-TZMCWYRMSA-N 247.363 3.608 30 20 BHED CC[C@H](CC#N)N[C@@H]1CC[C@@H](CCC(C)C)C1 1560616337 ZEEJPMRTEHZIJT-RBSFLKMASA-N 236.403 3.873 30 20 BHED CCC(CC)CN(C)[C@@H](C)c1cccc(C#N)c1 1643523541 YPIVVPCOZFOHIX-ZDUSSCGKSA-N 244.382 3.987 30 20 BHED C[C@H]1CN([C@H](C#N)c2ccccc2)CC(C)(C)C1 1645016175 VIHNPPSZGGRXTE-UKRRQHHQSA-N 242.366 3.619 30 20 BHED Cc1ccccc1/C=C\C(=O)c1ccc(O)cc1 33472148 CFCIAXFIRGJVBG-FLIBITNWSA-N 238.286 3.597 30 20 BHED CC[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2)C1 83640178 QAYFZUFCEBZXPE-CJNGLKHVSA-N 242.366 3.617 30 20 BHED CCC(CC)(CC)NCc1ccc(C#N)cc1 86642265 BKYNHLWSRAXGCQ-UHFFFAOYSA-N 230.355 3.617 30 20 BHED CC[C@H](C)C[C@@H](C)NCc1ccc(C#N)cc1F 88297372 PEKRPIRNPCFRLK-NWDGAFQWSA-N 248.345 3.612 30 20 BHED C#CCCCCN[C@@H]1CCSc2ccccc21 90397346 HQPUQJSHPHOHKY-CQSZACIVSA-N 245.391 3.617 30 20 BHED CCCCCCCC(=O)N(C)[C@@H](C)CC 105028073 BOKCUZYMXMZXIB-LBPRGKRZSA-N 213.365 3.604 30 20 BHED C=CCC[C@@H](C)NCc1ccc(C)s1 126764649 VDLSMGRAUXGZRH-SNVBAGLBSA-N 209.358 3.501 30 20 BHED Cc1ccc(F)cc1CN(CCC#N)CC(C)C 129153602 VRNZLMBPXZPXBP-UHFFFAOYSA-N 248.345 3.506 30 20 BHED Cc1ccc(C#N)cc1NC(=O)CCC(C)(C)C 152874690 VKCTWGVIDKPIMO-UHFFFAOYSA-N 244.338 3.632 30 20 BHED C=CCCN[C@H]1CCCC[C@@H]1c1ccccc1 161740018 KOJVWEXJGUHWLE-CVEARBPZSA-N 229.367 3.879 30 20 BHED C=CCCN[C@@H](C)c1cnc2ccsc2c1 168522116 LBVGHXJPCFAGLQ-JTQLQIEISA-N 232.352 3.523 30 20 BHED C=CCCC(=O)N[C@H](C)[C@@H](C)C1CCCCC1 176700695 ITNLPNMSZMOIHZ-CHWSQXEVSA-N 237.387 3.674 30 20 BHED C=CCC(CC=C)C(=O)NC1[C@@H](C)CCC[C@@H]1C 177147029 OVNCKHRJQZZVAP-STQMWFEESA-N 249.398 3.696 30 20 BHED C=C(Cl)CN[C@@H]1CC[C@H](C)C[C@@H]1CC 222096107 SULKSJVCQIRPBU-ZMLRMANQSA-N 215.768 3.543 30 20 BHED C[C@H]1CC(C)(C)C[C@H]1Nc1ccc(CC#N)cc1 235588625 SCVOUHNJQYFTBF-SWLSCSKDSA-N 242.366 3.989 30 20 BHED CCCCCC(C)=NOC/C=C\Cl 308378273 TZCVCSKCBGBOJR-FFIYZWDUSA-N 203.713 3.712 30 20 BHED C#CCCN[C@@H](C)c1csc2ccccc12 309564545 LWRBSQPOQWOOKL-NSHDSACASA-N 229.348 3.575 30 20 BHED C=CCCCCN[C@@H]1CS[C@@H](C(C)(C)C)C1 309666324 HYJGATZWWDBAIK-QWHCGFSZSA-N 241.444 3.853 30 20 BHED C=CCC[C@H](CCC)N[C@@H](C)C(F)(F)F 390002568 UOXIAMWNWQOVCF-UWVGGRQHSA-N 223.282 3.662 30 20 BHED C=CC[C@@H](CC)NCc1ccc(OCCC)cc1 393798703 LEBRVLFZRODMEW-OAHLLOKOSA-N 247.382 3.920 30 20 BHED C=CCCC[C@@H](C)NCc1ccncc1Cl 398239382 XYVWMKDPPCAMHB-LLVKDONJSA-N 238.762 3.569 30 20 BHED C=CCN(CC=C)[C@@H](C)c1ccccc1F 411163757 KRMCRKRKFPEIJP-LBPRGKRZSA-N 219.303 3.561 30 20 BHED CC[C@H](F)CSCc1cccc(C#N)c1 442555825 KUXCPNFNPLVJQL-LBPRGKRZSA-N 223.316 3.540 30 20 BHED Cc1ccc(SCC2(C#N)CCC2)cc1 450629985 QHUGEWWQOZOBLS-UHFFFAOYSA-N 217.337 3.781 30 20 BHED C=C[C@](C)(CC)C(=O)NC1C[C@H](C)C[C@@H](C)C1 467998072 JQWCTSRNNZTLRJ-LALPHHSUSA-N 237.387 3.530 30 20 BHED C=CCCCC[C@H](C)NC[C@H]1CCO[C@@H](C)C1 493706897 NKKRZADQECLZJR-KKUMJFAQSA-N 239.403 3.526 30 20 BHED COc1ccc(C#N)cc1N[C@@H]1CCC[C@@H](C)C1 500978749 GZHDZRKCWRPKIE-DGCLKSJQSA-N 244.338 3.557 30 20 BHED C=C(C)CCN1CC[C@H](Cc2ccccc2)C1 509684418 KVFQCSCCTBUAMN-MRXNPFEDSA-N 229.367 3.517 30 20 BHED C=C(C)CN(Cc1ccccc1)CC(F)(F)F 548097973 WOCWESBPWSTONE-UHFFFAOYSA-N 243.272 3.627 30 20 BHED C=CCCCCSCCc1ccccn1 565353072 DHGLUZWEWMULST-UHFFFAOYSA-N 221.369 3.714 30 20 BHED C=C1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 572646762 JWMZRCWFYHEQIC-NSCUHMNNSA-N 249.304 3.630 30 20 BHED Cc1ccc(C)c(NC[C@@H](C)CCC#N)c1 602489750 OTFKKWAOEPEATN-LBPRGKRZSA-N 216.328 3.655 30 20 BHED C=CC[C@H]1CCCN(C(=O)C(C)(C)CCC)C1 617777515 QTINPBKYRZBNNE-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C=C(Cl)CN1CCCC[C@@H]1c1ccccc1 762635160 RNQOXEKDXOCFEA-CQSZACIVSA-N 235.758 3.966 30 20 BHED C#CCCSCc1cc(C)ccc1C 763304903 QTAPRKDYXZHVEI-UHFFFAOYSA-N 204.338 3.560 30 20 BHED CCON=C1CCC(C)(c2ccccc2)CC1 766692949 WCTRQLXKCSTMGP-UHFFFAOYSA-N 231.339 3.911 30 20 BHED CCCc1cccc(C=NOCC(F)(F)F)c1 774397023 LMQCECCPKFLNHR-UHFFFAOYSA-N 245.244 3.552 30 20 BHED Cc1cccc(/C=C\C(=O)c2cscn2)c1C 776192121 IGMXUWFMPODLPF-SREVYHEPSA-N 243.331 3.656 30 20 BHED Clc1ccsc1C=NOC1CCCC1 782268717 RXWJAPFYPVYDIB-UHFFFAOYSA-N 229.732 3.695 30 20 BHED C#CCC1(C(=O)NCCC(C)(C)C)CCCCC1 788156885 MNYVQZMLEFMVMP-UHFFFAOYSA-N 249.398 3.513 30 20 BHED CC[C@@H](C)CON=CCc1cccc(Cl)c1 793163131 GCQSFKMVFUFVLB-LLVKDONJSA-N 239.746 3.931 30 20 BHED C=C(C)COC(=O)c1occc1-c1ccccc1 805185684 MHAPRIZMAJHEJM-UHFFFAOYSA-N 242.274 3.680 30 20 BHED CC(C)(C#N)CCN(c1ccccc1)C1CC1 832160505 MCZNBHVONBUFKM-UHFFFAOYSA-N 228.339 3.595 30 20 BHED CC(C)(C)ON=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 1336205140 LBORVFIQIBBPLG-KKOKHZNYSA-N 221.344 3.614 30 20 BHED CCC[C@@H](C)c1nnc(-c2cccc(C#N)c2)o1 1341640517 NNJOJESTUOQYIO-SNVBAGLBSA-N 241.294 3.512 30 20 BHED C[C@H](Nc1cccc(F)c1)c1cccc(C#N)c1 37202749 PCONGSUKYMQVNB-NSHDSACASA-N 240.281 3.870 30 20 BHED CCC[C@@H](CC)N[C@@H](C)c1cccc(C#N)c1 50402401 QFIZYMOMYIOTFC-SWLSCSKDSA-N 230.355 3.788 30 20 BHED N#CCCCN1CCC[C@@H](c2ccccc2)CC1 66898349 XFHNMBYWCRGEOH-MRXNPFEDSA-N 242.366 3.560 30 20 BHED C=CCCCN[C@@H](C)c1cc(C)oc1C 70592139 CRSPBNLFCWYFDU-NSHDSACASA-N 207.317 3.513 30 20 BHED Cc1cccc(NCC(C)(C)CCC#N)c1 80191526 WFGYDFKJBQIVBL-UHFFFAOYSA-N 216.328 3.737 30 20 BHED C=CCSCC(=O)c1cc(C)n(C2CC2)c1C 114757321 LMXFTSQJUZOLPO-UHFFFAOYSA-N 249.379 3.542 30 20 BHED C=CCC[C@H](CCC)N[C@@H]1CCOC(C)(C)C1 119325849 NATNTYMAONGLPN-UONOGXRCSA-N 239.403 3.669 30 20 BHED C=CCCN[C@@H](c1ccccc1)C(C)C 125392786 VUBAVVTZVWYVPG-CQSZACIVSA-N 203.329 3.549 30 20 BHED CC(C)[C@H]1CCCCN1Cc1ccc(C#N)s1 126992062 UOMGGTUQMKAMSA-CQSZACIVSA-N 248.395 3.630 30 20 BHED CCc1ccc(NCC(C)(C)CCC#N)cc1 135156760 KWETVVAEPHJJDH-UHFFFAOYSA-N 230.355 3.991 30 20 BHED CC[C@@H](C)C[C@@H](C)NCc1ccc(C#N)s1 135502072 ZCVYWHZCHWZJLS-GHMZBOCLSA-N 236.384 3.534 30 20 BHED N#CCCSc1ccccc1NCC1CCC1 152722447 MIWPBFSGWDTHRZ-UHFFFAOYSA-N 246.379 3.904 30 20 BHED C[C@H](c1ccco1)N(C)CCCC(C)(C)C#N 174835442 OJIPNCFJQDGMCQ-GFCCVEGCSA-N 234.343 3.602 30 20 BHED C#CCCCCC(=O)Nc1cccc(C(C)C)c1 179643874 AOEPTZUPQITESH-UHFFFAOYSA-N 243.350 3.942 30 20 BHED C=CC[C@@H](C)NC/C=C/c1ccc(F)c(F)c1 286383017 GSTZRQMKKCPXJX-DUMNWFOQSA-N 237.293 3.532 30 20 BHED C=CCCCSCc1cccc(C)n1 346567485 QHZUYHHGWKMOQJ-UHFFFAOYSA-N 207.342 3.589 30 20 BHED C=C(C)CCN[C@@H](C)[C@@H]1C[C@H]1c1cccs1 417352720 VRQXMBKAQJPWOQ-RWMBFGLXSA-N 235.396 3.796 30 20 BHED C[C@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1Cl 439455068 TZJWGQAAWBLAHO-QWRGUYRKSA-N 248.757 3.584 30 20 BHED C[C@H]1CCCC[C@@H]1CNC1CCC(C)(C#N)CC1 449096724 JTQWDGMOGWVQHJ-QRNKSROTSA-N 248.414 3.875 30 20 BHED C=CCCCC[C@@H](C)NCCc1ccc(O)cc1 449102653 KQKNISIAIOJEDX-CQSZACIVSA-N 247.382 3.659 30 20 BHED C=CCCCCCN(C)C(=O)[C@]1(C)CC=CCC1 449966404 GXRIDKCCGSEIIR-MRXNPFEDSA-N 249.398 3.938 30 20 BHED N#CC1(COc2ccc(F)cc2Cl)CCC1 450624693 QDUSBHDDJTUBTB-UHFFFAOYSA-N 239.677 3.552 30 20 BHED C=CCOCCCN(C(C)C)C1CCCCC1 470759581 HKMGJUASDIHEDA-UHFFFAOYSA-N 239.403 3.622 30 20 BHED C=CCN1CCC(c2cccc(Cl)c2)CC1 483100840 UAHKVHJRISCTRE-UHFFFAOYSA-N 235.758 3.705 30 20 BHED C#CCN(CCCC(C)(C)C#N)C1CCCCC1 490781229 YYPNQKBJSYRCCG-UHFFFAOYSA-N 246.398 3.584 30 20 BHED Cc1cc([C@@H](C)NC[C@@H](C)CCC#N)ccc1F 602567828 LFHWKCWVYGZUSJ-WCQYABFASA-N 248.345 3.725 30 20 BHED CCC[C@@H](NC[C@@H](C)CCC#N)C1CCCC1 602687374 LEXQBBDCLYCDGF-DZGCQCFKSA-N 236.403 3.875 30 20 BHED N#CCC1(CN2CCC[C@@H]2c2ccccc2)CC1 602756939 BBRUOISWAVIWER-OAHLLOKOSA-N 240.350 3.517 30 20 BHED CCCCCCCC(=O)Nc1cc(C2CC2)[nH]n1 728607487 TUTUUNQDCVNKMR-UHFFFAOYSA-N 249.358 3.586 30 20 BHED CC(=NNc1ccccc1F)C1CCCC1 733076613 PFSFOLCRTSKMNC-UHFFFAOYSA-N 220.291 3.804 30 20 BHED C=CCCOC(=O)C[C@H](C)c1ccc(CC)cc1 739154572 ZESAIEPOXIPFIL-ZDUSSCGKSA-N 246.350 3.862 30 20 BHED CON=C1CCC[C@H]1c1ccc(Cl)cc1 741458954 ROWXPJKLUARANE-NSHDSACASA-N 223.703 3.610 30 20 BHED C=C(C)CCOC(=O)[C@@H](CC)Cc1ccccc1 744300246 UDDFBKFKJNXUCK-HNNXBMFYSA-N 246.350 3.765 30 20 BHED C#CCCCCNC(=O)C(C)(C)C1CCCCC1 766495908 CNQOUCNPULOBRF-UHFFFAOYSA-N 249.398 3.513 30 20 BHED CC(C)c1ncc(C=NOC2CCCC2)s1 774603128 NDMWXHBKDCBDMR-UHFFFAOYSA-N 238.356 3.560 30 20 BHED C=CCC[C@@H](C)Nc1cc(F)c(OC)cc1C 775563865 STKLESAICYIFNC-LLVKDONJSA-N 237.318 3.909 30 20 BHED CC(=NOC1CCCCC1)c1cccs1 777458791 IZNZLZAINMVCCF-UHFFFAOYSA-N 223.341 3.821 30 20 BHED CCC1(C)CCC(=NNc2ccnc(F)c2)CC1 781131633 AQRLRTZMBLQJIY-UHFFFAOYSA-N 249.333 3.979 30 20 BHED C#C[C@@H](CCC)NC(=O)CCCC[C@@H](C)CC 791201184 SLOKMBJEZKLFHJ-KBPBESRZSA-N 237.387 3.511 30 20 BHED C[C@@H](C=NOC/C=C/Cl)c1ccc(F)cc1 811671620 HXPQGPOQGNUDHH-BQFXKJLFSA-N 241.693 3.684 30 20 BHED C=C[C@@H](C)ON=C[C@@H](C)c1cc(F)cc(F)c1 844619563 AWXWABVCJVTGEP-NXEZZACHSA-N 239.265 3.645 30 20 BHED C=C[C@H](C)ON=C(C)CCc1ccccc1 844622614 HMIWPEYRSFAENR-ZDUSSCGKSA-N 217.312 3.586 30 20 BHED C=C(C)[C@H]1CC=C(COC(=O)CCCF)CC1 850871843 HZBFZHDSRMAROW-ZDUSSCGKSA-N 240.318 3.582 30 20 BHED C[C@H](CC(C)(C)C#N)OC(=O)/C=C/C1CCCC1 851206874 XFZONEVENKOXQG-IDVQTMNDSA-N 249.354 3.604 30 20 BHED CCC(CC)NN=C1[C@@H]2CCC[C@@H]2C1(C)C 853308623 PYPNVPJGGJEFGG-NEPJUHHUSA-N 222.376 3.577 30 20 BHED C=C[C@H](CC)CC(=O)Nc1ccccc1CC 929693379 OPIURIGPYIUJOI-GFCCVEGCSA-N 231.339 3.790 30 20 BHED C=C[C@H](CC)CC(=O)N1CCCC[C@H]1C(C)C 933065036 ANHYVBWFWJWXLI-KGLIPLIRSA-N 237.387 3.626 30 20 BHED C=C(Cl)CN1CC[C@@H](C(C)(C)C)C[C@H]1C 1645971733 XDPFQJOIJVVHPP-VXGBXAGGSA-N 229.795 3.886 30 20 BHED C[C@@H](C#N)N(CCCC1CCCCC1)C1CC1 1654165632 RQJKYMZWSNLESD-ZDUSSCGKSA-N 234.387 3.723 30 20 BHED C[C@H](CC#N)N[C@H]1CCC[C@H](C(C)(C)C)CC1 1663172190 ZNHGJARRYSDQJF-RDBSUJKOSA-N 236.403 3.873 30 20 BHED CC[C@@H]1CCC[C@H](CN2CCC[C@](C)(C#N)C2)C1 1663994596 PYJZCIKXASJEOM-OWCLPIDISA-N 248.414 3.828 30 20 BHED N#Cc1cccc(OCCCc2ccccc2)c1 11960070 PEBKTEPMAPMPJG-UHFFFAOYSA-N 237.302 3.570 30 20 BHED C[C@H](c1cccc(Cl)c1)N1CCC(C#N)CC1 57872871 FMQCIIMBSWFLLQ-LLVKDONJSA-N 248.757 3.637 30 20 BHED CC[C@@H]1CCC[C@H](NCc2ccc(C#N)s2)C1 135693262 ZMBRGWHCRVNIHH-NEPJUHHUSA-N 248.395 3.678 30 20 BHED C=C(C)CCN[C@H](C)CCc1ccccc1 168974889 NHVDXKBEMZKABM-CQSZACIVSA-N 217.356 3.564 30 20 BHED C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1cc(C)oc1C 185298733 YSLZETICUDAXAF-ZYHUDNBSSA-N 249.354 3.676 30 20 BHED C=CCCCNc1ccc2ccn(C)c2c1 190617442 RXUARPFOUVICJZ-UHFFFAOYSA-N 214.312 3.556 30 20 BHED C=CCC1(C(=O)N(C)c2cccc(C)c2)CCC1 191082273 JVAGMJHRINJDRF-UHFFFAOYSA-N 243.350 3.704 30 20 BHED CCC[C@@H]1CCCCN1CCC(C)(C)C#N 213529282 MSCDISUWUGQLGC-CYBMUJFWSA-N 222.376 3.581 30 20 BHED C[C@@H]1CC[C@@H](CN[C@H](C)c2ccc(C#N)cc2)C1 230407525 KLAFFTSSGREAMS-UMVBOHGHSA-N 242.366 3.645 30 20 BHED C[C@@H]1CC[C@H](NCC(C)(C)CCC#N)[C@H](C)C1 253034659 VSZXDRLFNYAHPO-MCIONIFRSA-N 236.403 3.731 30 20 BHED C[C@@H](CC#N)N(C)C/C=C\c1ccc(Cl)cc1 255372503 LAYZJZNENRNWPU-MVZIDQBPSA-N 248.757 3.587 30 20 BHED C=CC[C@@H](C)[C@H](C)NCCCc1cccc(C)n1 287287473 DCOYBHDMFYDDIW-HIFRSBDPSA-N 246.398 3.513 30 20 BHED C#C[C@@H](N[C@@H](C)Cc1ccc(Cl)cc1)C(C)C 302374844 OXPDCRRXSABLSX-SWLSCSKDSA-N 249.785 3.518 30 20 BHED C[C@@H]1CCCC[C@@]1(C)NCc1cc(C#N)cs1 308722956 QXGKCCYASDAVRN-BXUZGUMPSA-N 248.395 3.678 30 20 BHED C=CCCCCN[C@@H](C)Cc1cccs1 309020377 WQMRXLBZOSPBKX-LBPRGKRZSA-N 223.385 3.625 30 20 BHED C=CCCN[C@@H](c1ccccc1C)C1CC1 309620048 DBCBWXBYRQKTQC-OAHLLOKOSA-N 215.340 3.612 30 20 BHED C=CCC1(C(=O)N(CCC)CC(C)C)CCC1 358633776 MOWAYTFTDURBTG-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=C(C)CNCc1ccc(F)c(Cl)c1Cl 389980549 IMUJBXCTOZKJOB-UHFFFAOYSA-N 248.128 3.798 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCc2cc(F)ccc21 393770084 SFCYJXDWUXUIPR-DZGCQCFKSA-N 233.330 3.757 30 20 BHED C=CC[C@H](CC)Nc1ccc([N+](=O)[O-])c(C)c1 393800275 LYSDDAIXFQPCDD-NSHDSACASA-N 234.299 3.670 30 20 BHED CCCCCCCCN[C@H](C)c1csnn1 398239551 CKDISUZZIKZOJV-LLVKDONJSA-N 241.404 3.549 30 20 BHED CCc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1 414158941 AUEQIBPMMYDUEN-CYBMUJFWSA-N 244.382 3.839 30 20 BHED C=C(C)C(C)(C)c1nc(-c2ccccc2)no1 424219507 DLGIDFICJIFMTP-UHFFFAOYSA-N 228.295 3.590 30 20 BHED C=CCCCCCN(C)[C@H](C)CCSC 488216847 NCELEGGZVUCJHS-CYBMUJFWSA-N 229.433 3.806 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@H]1CCC[C@H](C)C1 489711836 GQDKZCXXCIXXAG-QWHCGFSZSA-N 237.387 3.531 30 20 BHED C=CCN(C/C(C)=C/c1ccccc1)C1CC1 503560636 XYMMHFZXXCEPCK-WYMLVPIESA-N 227.351 3.740 30 20 BHED C=CCN(C1CC1)[C@H]1CCCc2ccccc21 503575774 JRYQHNBATVWDGV-INIZCTEOSA-N 227.351 3.714 30 20 BHED C=C(C)CCN1CC[C@H](c2ccccc2)[C@H]1C 509331296 LWKYSUXTKRZBTH-ZBFHGGJFSA-N 229.367 3.831 30 20 BHED C=CCC[C@@H](NCCc1cccc(C)c1)C1CC1 533037834 COTWKUCQARKXNZ-QGZVFWFLSA-N 243.394 3.872 30 20 BHED CCCCCN(Cc1ccc(C#N)cc1)C1CC1 542317185 CLOWTWUKQIPUQO-UHFFFAOYSA-N 242.366 3.713 30 20 BHED CC[C@@H]1CCC[C@H](CN(CC)C[C@H](C)C#N)C1 542464386 GKZOHQZLFGBZFA-KFWWJZLASA-N 236.403 3.684 30 20 BHED N#Cc1c(F)cccc1SCCCCCF 565400707 RNXVJECWJAFKIW-UHFFFAOYSA-N 241.306 3.929 30 20 BHED CCC(CC)CN[C@H]1CCc2ccc(C#N)cc21 577151706 MRALGHYKTDNWRW-INIZCTEOSA-N 242.366 3.571 30 20 BHED C=CCCN(C)[C@@H](C)c1ccccc1C 606897102 QPNCOZYOARYPAJ-ZDUSSCGKSA-N 203.329 3.564 30 20 BHED C=CCN1CCC[C@@H]1CC1CCCCC1 622261004 UAMZMMLVOBVXRQ-CQSZACIVSA-N 207.361 3.607 30 20 BHED C=CCCN(C)C(=O)C[C@@H](C)CCC=C(C)C 648365277 AKLJPQATHUAQAA-AWEZNQCLSA-N 237.387 3.794 30 20 BHED CC/C=C(\C)C(=O)O[C@@H](C)c1cccc(C#N)c1 729904169 AAJIXSBOWYRPBD-BCMYLCSRSA-N 243.306 3.519 30 20 BHED C=CCCOC(=O)C[C@@H](C)c1ccccc1C 734965145 HZBRSLHINCGTNP-CYBMUJFWSA-N 232.323 3.608 30 20 BHED C=CCCCCCN(C)CC(F)(F)C(F)F 739929530 CZLAFHDAYAFTOG-UHFFFAOYSA-N 241.272 3.565 30 20 BHED CC[C@H](C)C[C@@H](C)/N=C\c1cc(OC)ccc1O 743041809 CPPFDHYGSUIMFJ-ADINIEGLSA-N 249.354 3.644 30 20 BHED C=CCCCC(=O)N(C)c1ccc(C)c(C)c1 748525074 UXKBUELSCMGBSH-UHFFFAOYSA-N 231.339 3.623 30 20 BHED CCCCCCCCCNC(=O)[C@H]1C[C@@H]1C 769358325 ZTRFVSCPIJCTLO-STQMWFEESA-N 225.376 3.509 30 20 BHED Oc1ccccc1/C=N\[C@@H]1CC12CCCCC2 770567521 DYQHUINTBGPCDW-VQCBNXJZSA-N 229.323 3.534 30 20 BHED Cc1cc(C=NOC2CCCC2)c(C)n1C1CC1 774602322 HWMOOBBWJZXLHK-UHFFFAOYSA-N 246.354 3.733 30 20 BHED CC1(C)CCC(C=NNc2ccnc(F)c2)CC1 781126577 CZFICGDDWXXYLG-UHFFFAOYSA-N 249.333 3.835 30 20 BHED Cc1cccnc1NN=C1CCCC(C)(C)C1 790189955 FJVFXSKQDFIEFY-UHFFFAOYSA-N 231.343 3.758 30 20 BHED CC1(C)CCCC[C@H]1NN=C1CCC12CCC2 799887194 QDLLOZHZIWHOQA-GFCCVEGCSA-N 234.387 3.865 30 20 BHED C#Cc1cccc(N(C)CCSC(C)(C)C)c1 801917472 DPJOLNCZKNPOMW-UHFFFAOYSA-N 247.407 3.636 30 20 BHED CC(CC(C)(C)C)=NNc1nccnc1C(C)C 834978007 QDUZDJFBLBKVKD-UHFFFAOYSA-N 248.374 3.824 30 20 BHED CCCON=CC[C@H](C)c1ccccc1 842551712 CCXJSNHDOHZWQI-LBPRGKRZSA-N 205.301 3.593 30 20 BHED CCCC=NNc1cccc(C(F)(F)F)c1 864314435 MAFUANDBVPATDJ-UHFFFAOYSA-N 230.233 3.903 30 20 BHED N#Cc1ccccc1SCOC1CCCCC1 865358160 TYJBPXNYWPMARW-UHFFFAOYSA-N 247.363 3.957 30 20 BHED C=CC[C@@H](C)[C@H](C)N[C@@H]1CCCc2cccnc21 927059921 PKGSDBOIOMTVIN-VNHYZAJKSA-N 244.382 3.649 30 20 BHED C=C(CNC(=O)[C@H](CC)CCC)c1ccccc1 1274941273 FYXROQKSNKCHFU-CQSZACIVSA-N 245.366 3.642 30 20 BHED N#CC1(CC(=O)OCC2CCCC2)CCCCC1 1330284918 VNZUGMYPFWIYEN-UHFFFAOYSA-N 249.354 3.584 30 20 BHED C[C@H]1CCCC[C@@H]1COc1ccccc1C#N 1472939141 QAKUZNLWLYHGAG-GXTWGEPZSA-N 229.323 3.763 30 20 BHED C[C@@H]1CN(CCC2(C#N)CCCCC2)C(C)(C)C1 1659971569 UDIHCDHBEKXHOL-AWEZNQCLSA-N 248.414 3.971 30 20 BHED N#Cc1cccc(-c2cncc3ccccc23)c1 6757539 MMBSSCYBBJGCKY-UHFFFAOYSA-N 230.270 3.773 30 20 BHED C=CCN1CCC[C@H]1[C@H](CC)c1ccccc1 58523937 VJSYUCJEHIEUNA-CVEARBPZSA-N 229.367 3.831 30 20 BHED CC(C)(C#N)CCCNc1ccccc1F 83640744 YNTXPCZNDDQJHH-UHFFFAOYSA-N 220.291 3.568 30 20 BHED C[C@H](N[C@H]1CCCC1(C)C)c1cccc(C#N)c1 94321631 HJCSGKBTXUCVBV-WFASDCNBSA-N 242.366 3.788 30 20 BHED C=CCC[C@H](CCC)N[C@H]1CCOC(C)(C)C1 119326130 NATNTYMAONGLPN-KBPBESRZSA-N 239.403 3.669 30 20 BHED Cc1ccc2c(c1)[C@@H](NCCCCC#N)CCC2 178957197 LBMYQFVNVJDDBG-INIZCTEOSA-N 242.366 3.656 30 20 BHED CC#CCCCC(=O)N(CC)[C@@H]1CCCC[C@H]1C 185641644 DXDWRASNGOFZMN-HUUCEWRRSA-N 249.398 3.607 30 20 BHED CC(C)CC1(CN[C@@H]2CCC[C@@H](C#N)C2)CCC1 185857490 WRBUFSPNYJULJE-HUUCEWRRSA-N 248.414 3.875 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cccc2[nH]ccc12 187931546 PVTABURWVSMJRD-HNNXBMFYSA-N 242.322 3.709 30 20 BHED Cc1ccc(C(=O)/C=C\c2cccnc2Cl)o1 255843534 VESVUNSTWOCNNI-WAYWQWQTSA-N 247.681 3.533 30 20 BHED CC(C)C[C@@H](NCCCC#N)c1cccs1 273176605 DCXUUDYFTMDGHC-GFCCVEGCSA-N 236.384 3.729 30 20 BHED N#CCCCC(=O)Nc1ccc(C2CCC2)cc1 291991095 VYNTXVOIDSOJJZ-UHFFFAOYSA-N 242.322 3.586 30 20 BHED C=C(Br)CN(C(CC)CC)C1CC1 308246858 WQYCMACTBWRWGL-UHFFFAOYSA-N 246.192 3.548 30 20 BHED Cc1cc(C)c(C#N)c(NCCCC(C)(C)C)n1 313468404 DFPZDGZAZGYGDR-UHFFFAOYSA-N 245.370 3.808 30 20 BHED Cc1cccc(CNCC(C)(C)CCC#N)c1C 342278317 DBNRERDMARMIPE-UHFFFAOYSA-N 244.382 3.723 30 20 BHED CCCCCCCC(=O)N1CCC2(CC1)CC2 370872135 PWKJUVTWZHDXRE-UHFFFAOYSA-N 237.387 3.750 30 20 BHED CC(C)[C@H]1N(CC(C)(C)CCC#N)CC12CCC2 430110042 WRJFUKKJXCEIJY-CQSZACIVSA-N 248.414 3.827 30 20 BHED C=CC(C)(C)CNC(=O)[C@H]1CCC[C@@H]1CCC 452779275 AZIHVUULYHNXIP-STQMWFEESA-N 237.387 3.531 30 20 BHED C=CCCCCNC(=O)[C@H](CC)CCCC 471692604 LMFGLSCLHUNKIT-CYBMUJFWSA-N 225.376 3.675 30 20 BHED C=CCCSCCOc1ccccc1F 523521991 OTJZYFSGTKDWPU-UHFFFAOYSA-N 226.316 3.514 30 20 BHED C=C(C)COc1ccc(OC)c2ccccc12 552461352 FDJLDQHAYJZYCP-UHFFFAOYSA-N 228.291 3.803 30 20 BHED CCCCCSc1snc(C)c1C#N 583284079 OMCQVNKACLDQGU-UHFFFAOYSA-N 226.370 3.606 30 20 BHED C=CCN(CC=C)CC(C)(C)c1ccccc1 642243022 GRSQFHIHWGFWOQ-UHFFFAOYSA-N 229.367 3.638 30 20 BHED C=CCCN[C@@H](C)c1ccc(OC)c(Cl)c1 656678584 AFTJEOCZJWFVCO-JTQLQIEISA-N 239.746 3.575 30 20 BHED C=CCCCCCN1CC[C@H](c2ccco2)C1 683780783 MGUYYDVLPGMZRQ-AWEZNQCLSA-N 233.355 3.815 30 20 BHED C=CCCOC(=O)Cc1ccc(CC(C)C)cc1 729072335 ISHBDAHXQQVPFS-UHFFFAOYSA-N 246.350 3.547 30 20 BHED C=C(Cl)CN1CCCc2c(C)cccc21 734058560 RHZIBVKYUBXJEU-UHFFFAOYSA-N 221.731 3.500 30 20 BHED CCCCCCCCNC(=O)[C@@H]1[C@H]2CCC[C@H]21 755214415 FLDLNFBABGQYFG-WDNDVIMCSA-N 237.387 3.509 30 20 BHED CC[C@H](C)C=NNc1ccc(F)cc1C 755815234 QITZSWLEOHBKSN-VIFPVBQESA-N 208.280 3.578 30 20 BHED CC(CCc1ccco1)=NOCCC(F)(F)F 777462731 JWMNTGUZZYJXIT-UHFFFAOYSA-N 249.232 3.557 30 20 BHED Cc1ccc(C=NN[C@H](C)C(C)(C)C)c(C)c1 793113739 CBIPNRVAFREELA-CYBMUJFWSA-N 232.371 3.662 30 20 BHED C=CCC(F)(F)C(=O)N([C@@H](C)CC)[C@@H](C)CC 839319271 SZFQWNUKHYXCNM-QWRGUYRKSA-N 247.329 3.623 30 20 BHED C#CCC(C)(C)C(=O)N[C@H](CCC)C1CCCC1 839456697 LTFSKTFXUYAQPD-CQSZACIVSA-N 249.398 3.511 30 20 BHED C/C(=C/Cl)CSCC1(CC#N)CC1 849895459 KIDKLJAVJDHAIG-TWGQIWQCSA-N 215.749 3.556 30 20 BHED C=CCOCCSCc1ccc(C)c(F)c1 863396950 FSLYENYJELJYJI-UHFFFAOYSA-N 240.343 3.570 30 20 BHED CSc1ccc(N[C@@H](C)CC(C)(C)C#N)nc1 925908311 JGVDTUUWRHGWDJ-JTQLQIEISA-N 249.383 3.544 30 20 BHED CC(C)Oc1ccccc1C=NOC(C)(C)C 1253789457 OGVBLQYMTKCUIL-UHFFFAOYSA-N 235.327 3.623 30 20 BHED C=C(C)CCC(=O)N[C@@H](C)c1ccc(C)s1 1335744279 WFBCDBJHNCCEGD-NSHDSACASA-N 237.368 3.590 30 20 BHED C=C(Cl)CN1CCC[C@@H]1[C@H](C)CCC 1644935278 SPYAYSZYZJLRPD-ZYHUDNBSSA-N 215.768 3.640 30 20 BHED CCOc1ccc(C#N)cc1NCC(CC)CC 1659393512 SPJHTCARYJYJPB-UHFFFAOYSA-N 246.354 3.805 30 20 BHED C=CCNc1cc(Cl)ccc1Cl 41571887 ABHNMSVCTRHWGC-UHFFFAOYSA-N 202.084 3.591 30 20 BHED C=C(C)CN(CC)C(=O)[C@H](CC)c1ccccc1 57157952 BMPYWMRQDITNIT-OAHLLOKOSA-N 245.366 3.605 30 20 BHED Cc1cc(C(C)(C)C)cc(C)c1CN(C)CC#N 78454940 FKUDJLYFJWRHFT-UHFFFAOYSA-N 244.382 3.556 30 20 BHED C=C(CC)CN[C@H](C)c1cc(C)sc1C 85057955 GQFIZCQLDMCBJJ-LLVKDONJSA-N 223.385 3.982 30 20 BHED CC[C@H]1CCCC[C@H]1NCc1cc(C#N)cs1 93492276 LCIYRASKOSDENW-GXTWGEPZSA-N 248.395 3.678 30 20 BHED C=CCCC[C@@H](C)NC[C@H]1C[C@H]2C=C[C@H]1C2 133581467 ASZKAZZSJQVQLT-CBBWQLFWSA-N 219.372 3.533 30 20 BHED C=C(C)CNC(=O)Nc1cccc(C(C)C)c1 156188869 RNCISDOEEOBNEG-UHFFFAOYSA-N 232.327 3.508 30 20 BHED C=CC[C@H](C)NC1CCC(C(F)(F)F)CC1 165222620 PUJVXMIYAFWOET-WHXUTIOJSA-N 235.293 3.662 30 20 BHED C#CCCCCC(=O)N[C@@H](C)CCCC(C)C 179705472 QQHACCHRHMADIH-AWEZNQCLSA-N 237.387 3.511 30 20 BHED N#CCCCN1CCCC2(CCCCC2)CC1 190316228 LCEREGLIWBMXAM-UHFFFAOYSA-N 234.387 3.727 30 20 BHED C=CC[C@H](C)N[C@@H]1CCCc2c(OC)cccc21 194925529 LYKOVHLFILNEFW-SWLSCSKDSA-N 245.366 3.627 30 20 BHED C#Cc1cccc(NC/C=C\c2ccccc2)c1 220546669 HNQQFKUSPACTQU-XFFZJAGNSA-N 233.314 3.793 30 20 BHED CC(C)CC[C@@H](C)NCC(C)(C)CCC#N 229670845 GNXUBKDONYEJIJ-CYBMUJFWSA-N 224.392 3.731 30 20 BHED Cc1cccc([C@@H](C)N[C@@H](C)CCC#N)c1C 276256413 AILTWGPGKTZOCL-GXTWGEPZSA-N 230.355 3.646 30 20 BHED Cc1cccc([C@H](C)OC(=O)CC(C)(C)C#N)c1 278425816 YGGJJCUZVMSNQA-LBPRGKRZSA-N 245.322 3.539 30 20 BHED CC(C)C[C@@H](C)Nc1snc(Cl)c1C#N 301811903 XSWOEGWDFCYJIW-SSDOTTSWSA-N 243.763 3.515 30 20 BHED C=CCCCCC[C@@H](C)NCc1ccoc1 309506275 CARWAHVVCMNCDT-CYBMUJFWSA-N 221.344 3.894 30 20 BHED C=CCCCCC[C@H](C)N[C@@H]1CSC[C@@H]1C 309540329 FRYITNWADVUVBI-MELADBBJSA-N 241.444 3.853 30 20 BHED N#CCCCCNC1(c2ccc(Cl)cc2)CC1 341879483 SSEFQAPELHUDBC-UHFFFAOYSA-N 248.757 3.613 30 20 BHED C=CCCC(=O)N1CC(C)(C)[C@@H]1c1cccs1 377123310 PKHKOEDRXGUSCK-ZDUSSCGKSA-N 249.379 3.624 30 20 BHED CC(C)(CCC#N)CN1CC2(CCC2)[C@H]1C1CC1 378141719 QQUYGPTUYOEAAV-CQSZACIVSA-N 246.398 3.581 30 20 BHED C=C(Cl)CN[C@H](CC)[C@H](C)CCC 379377470 XTKQMJRRRSWBIU-MWLCHTKSSA-N 203.757 3.543 30 20 BHED C=CCC[C@@H](N[C@H]1CCC(F)(F)C1)C1CC1 390780370 JFVANMODPAEENC-NWDGAFQWSA-N 229.314 3.509 30 20 BHED CC[C@H](NCC(C)(C)CC#N)c1cccs1 414165383 LSYOQEADMWQUAW-NSHDSACASA-N 236.384 3.729 30 20 BHED C=CC[C@H](C)[C@H](C)NC[C@@H](C)CC(F)(F)F 414259858 FYKXVGBADUWZAM-DCAQKATOSA-N 237.309 3.765 30 20 BHED CC(C)CC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@H](C#N)C1 424321108 GREGSLVVMTWMML-JONQDZQNSA-N 248.414 3.873 30 20 BHED Cc1ccc(C)c([C@H](C)NCC2(CC#N)CC2)c1 429797810 DLCCHSNYAJIJGK-AWEZNQCLSA-N 242.366 3.648 30 20 BHED C=C(C)CN(CC)C[C@H](C)c1ccc(F)cc1 437595491 YVTSHKMTICMINF-ZDUSSCGKSA-N 235.346 3.827 30 20 BHED CC(C)c1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 472147036 GHYOVYPUKXISEG-HOCLYGCPSA-N 242.366 3.592 30 20 BHED N#CCN1CCCc2cc(-c3ccccc3)ccc21 473024031 PWRUQHTUDUEIDF-UHFFFAOYSA-N 248.329 3.630 30 20 BHED C=CCCCCSCc1cccnc1 577467963 IRNQUXCQYFQOSM-UHFFFAOYSA-N 207.342 3.671 30 20 BHED Cc1ccc([C@H](C)N(C)C[C@H](C)CCC#N)cc1 602437825 DGEQJIFGSFMQIH-CABCVRRESA-N 244.382 3.928 30 20 BHED CCCC[C@@H](CC)CNC[C@@H](C)CCC#N 602501772 FQECCJLMMFCSNR-UONOGXRCSA-N 224.392 3.732 30 20 BHED C=CCC1(NC(=O)CCC(C)(C)C)CCCC1 619108449 WJZHBBDYRBWSTO-UHFFFAOYSA-N 237.387 3.818 30 20 BHED C=C(C)CCc1noc([C@@](C)(F)CCCC)n1 664878575 WWQFXRWLAXUISD-ZDUSSCGKSA-N 240.322 3.953 30 20 BHED C[C@@H]1CCCC1=NNc1cccc2cnccc12 729145310 OEUAKORVPMLFKS-LLVKDONJSA-N 239.322 3.823 30 20 BHED C=CCCCOc1c(OC)cc(C=C)cc1OC 742461898 IIVLXOCIGSJHNX-UHFFFAOYSA-N 248.322 3.692 30 20 BHED CC1(C)CCC[C@H](C=NOCC(F)(F)F)C1 752736218 TXIQGYDCBUEKHV-VIFPVBQESA-N 237.265 3.768 30 20 BHED CCC[C@H](C)c1noc(-c2cccc(C#N)c2)n1 761832106 FHVWXXJLAGDQJQ-JTQLQIEISA-N 241.294 3.512 30 20 BHED C#CCCN1Cc2ccccc2-c2ccccc2C1 764236690 XVOQPONUBSMTRD-UHFFFAOYSA-N 247.341 3.693 30 20 BHED C#CCCCSCc1cc(C)ccc1OC 766293573 ROEWREGIOBZNBK-UHFFFAOYSA-N 234.364 3.650 30 20 BHED CC(Cc1cccc(F)c1)=NOC1CCCC1 774601332 BWCKIQVOVSNKKS-UHFFFAOYSA-N 235.302 3.703 30 20 BHED C#CCCCCCC(=O)N(C)C1CCCCCC1 779763914 WROLMAQIGJGSCU-UHFFFAOYSA-N 249.398 3.751 30 20 BHED C#CC[C@@H](NCCCC(C)C)c1ccccc1 783650192 MPBOONOIWKQPSP-MRXNPFEDSA-N 229.367 3.777 30 20 BHED CC[C@@H](C)NN=C(C)[C@@H](C)c1ccccc1 790182121 BLLKRCARANHTBG-VXGBXAGGSA-N 218.344 3.554 30 20 BHED C#C[C@H](CCC)NC(=O)C(C)(C)CCCCC 791750838 RSALYAZTLOTSSS-CYBMUJFWSA-N 237.387 3.511 30 20 BHED CC(C)[C@@H]1CCCC(=NNC2CCCC2)C1 794505584 DFZQDZNPXBKUHX-GFCCVEGCSA-N 222.376 3.721 30 20 BHED C=CCNN=C1CCC[C@H](C(C)(C)C)CC1 794993562 DDTUNRIUOYVTNE-LBPRGKRZSA-N 222.376 3.744 30 20 BHED CCC(Cc1cccs1)=NOCCC1CC1 814244964 GPHYOOIRCSOGIX-UHFFFAOYSA-N 237.368 3.873 30 20 BHED CCC(CC)=NNc1cc(Cl)nc(Cl)c1 819831721 OGIKDMXTZBXPLX-UHFFFAOYSA-N 246.141 3.976 30 20 BHED C/C(=C/C(C)(C)C)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839050026 IOABGAFHCNMFDJ-POVPLDHISA-N 249.354 3.604 30 20 BHED C[C@H](CCC#N)CN1CCC[C@@H](C(C)(C)C)C1 1560785952 OXPXBIWDIXIDDT-ZIAGYGMSSA-N 236.403 3.684 30 20 BHED C[C@H](N[C@H]1CCCC[C@H]1C)c1cccc(C#N)c1 37211573 BYIGTYJYTIGCMK-WWGRRREGSA-N 242.366 3.788 30 20 BHED N#CCCCN1CCC[C@@H]1c1ccccc1Cl 52211218 PKTYXTQMLDOTJD-CQSZACIVSA-N 248.757 3.781 30 20 BHED CC(C)CCN(CCCC#N)CCC(C)C 52872085 SWJGKJGZLGAHBD-UHFFFAOYSA-N 224.392 3.684 30 20 BHED CC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 71202172 ALPOUXTXBYWRCK-FARCUNLSSA-N 230.238 3.688 30 20 BHED CCC1(CC)CCN(Cc2ccccc2C#N)C1 94802944 JIDJCZVLHGZWOB-UHFFFAOYSA-N 242.366 3.570 30 20 BHED O=C(/C=C\c1cccc(Cl)c1)c1ccco1 96298498 DSWLLQZGSLGKPU-SREVYHEPSA-N 232.666 3.829 30 20 BHED C=C(C)CNCc1c(CC)oc2ccccc12 122522206 VKCGDAWEOBLCJN-UHFFFAOYSA-N 229.323 3.661 30 20 BHED C=CC1CCN(C(=O)C(CCC)CCC)CC1 122876061 LJIBJJIANQSEGW-UHFFFAOYSA-N 237.387 3.627 30 20 BHED CC[C@H]1CCC[C@H](NCc2ccc(C#N)s2)C1 135693289 ZMBRGWHCRVNIHH-RYUDHWBXSA-N 248.395 3.678 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc(CC)cc1 161670208 DLFGMJGZSDWATA-STQMWFEESA-N 217.356 3.864 30 20 BHED C=CCCCC(=O)N(C)[C@@H](C)c1cccs1 175347507 JDKKHVLDMPQBRO-NSHDSACASA-N 237.368 3.624 30 20 BHED C=CCC(CC=C)C(=O)Nc1c(C)cccc1F 179860730 IGRBGMCCSJHSKM-UHFFFAOYSA-N 247.313 3.841 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1ccccc1O 179894094 IFDLUGFHPOPRTD-QWHCGFSZSA-N 233.355 3.788 30 20 BHED CC#CCCCC(=O)O[C@H](C)c1ccccc1F 186127643 CRGJKJCATSMRQE-GFCCVEGCSA-N 248.297 3.624 30 20 BHED C=CCCCN[C@@H]1CCCC[C@@H]1SCC 190023701 HHTYYZQMUMJPLX-OLZOCXBDSA-N 227.417 3.607 30 20 BHED C[C@@H](Nc1cccc(C#N)c1)C1CCSCC1 194970714 IWIDGZXYXXBUCB-LLVKDONJSA-N 246.379 3.502 30 20 BHED C=C(CN[C@H]1CCCC[C@@H]1C)c1ccccc1 211842370 NPAQANKDFPLHAE-BBRMVZONSA-N 229.367 3.868 30 20 BHED C=C[C@](C)(CC)C(=O)N1C[C@H](C)CCC[C@H]1C 248686221 HAEDDDPYFOOCQI-UMVBOHGHSA-N 237.387 3.626 30 20 BHED C[C@@H](NCC(C)(C)CCC#N)[C@@H]1C[C@H]2CC[C@H]1C2 253029508 QGWOCZPFLOBJFH-QPSCCSFWSA-N 248.414 3.731 30 20 BHED O=C(/C=C\c1cncs1)c1ccc(Cl)cc1 255915872 IWNGXKZULBLISK-WAYWQWQTSA-N 249.722 3.693 30 20 BHED C=C(C)CN(Cc1ccccc1)C(=O)/C(C)=C/C 279442545 MBLDPRDOGDOYMC-LHHJGKSTSA-N 243.350 3.558 30 20 BHED C=C(C)CCN[C@@H](c1cccs1)C1CC1 309078800 NJTGWJXSSCQUGN-CYBMUJFWSA-N 221.369 3.755 30 20 BHED C=CC(C)(C)CN[C@@H](CC)c1ccccc1O 384993669 UDDPYDAYLINENG-ZDUSSCGKSA-N 233.355 3.645 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)Cc1ccc(C)cc1 424549846 WXMRVSPJTUCYFL-UHFFFAOYSA-N 245.366 3.556 30 20 BHED C=CC[C@H](C)N[C@@H](Cc1ccccc1)C(C)C 427686232 QCHVVOPJDMAELB-HOCLYGCPSA-N 231.383 3.808 30 20 BHED C[C@@H]1CCC[C@H](CCN(C)CC(C)(C)C#N)C1 433301770 WDTKSPSHSCUAJY-ZIAGYGMSSA-N 236.403 3.684 30 20 BHED C=C(C)CN(C)[C@@H](CC)Cc1ccc(C)cc1 441364094 YYDWCWKZAFBIIV-INIZCTEOSA-N 231.383 3.824 30 20 BHED CC[C@H](C)[C@H]1CCCCN1CC1(C#N)CCC1 450428163 HGJXFBFNZBTMAR-UONOGXRCSA-N 234.387 3.581 30 20 BHED C=C[C@H](C)NC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 465105131 WMUPOHWSXNNPAV-AVGNSLFASA-N 237.387 3.530 30 20 BHED C=C[C@@](C)(CC)C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 467940198 ZMLHHGBESSVBQT-YXWQFLTLSA-N 249.398 3.531 30 20 BHED C=CCC[C@H](CCC)NCC1(COC)CCC1 502368214 FKZSXLXHPLUGNF-AWEZNQCLSA-N 239.403 3.528 30 20 BHED C=CCOCCS[C@@H](C)c1ccccc1F 549336975 PDICGQGDNGDLHE-NSHDSACASA-N 240.343 3.823 30 20 BHED CCCC[C@@H](C)[C@H](C)NCc1cccc(C#N)c1 565561251 MITCETPGOHFPGO-KGLIPLIRSA-N 244.382 3.863 30 20 BHED CC(C)CSCc1ccc(C#N)s1 576956373 BSCONPRFYWRFLR-UHFFFAOYSA-N 211.355 3.509 30 20 BHED CCC[C@@H]1CCCCN1C[C@@H](C)CCC#N 602613108 OXZNMLGALXYNHZ-UONOGXRCSA-N 222.376 3.581 30 20 BHED C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccoc1 610830296 KEMDZEKSWIXVDF-VXGBXAGGSA-N 240.306 3.563 30 20 BHED C=CCN(C(=O)[C@@H](C)C1CCCC1)C(C)(C)C 622944007 AJEKDKZTYOATRX-LBPRGKRZSA-N 237.387 3.626 30 20 BHED CCC(=NNC1CCCC1)C1CCCCC1 727652427 ZNFUPYQQRQJKSI-UHFFFAOYSA-N 222.376 3.865 30 20 BHED CC(C[C@H]1CCOC1)=NNc1cc(C)ccc1C 751519645 AKYFLWOASCTALO-CQSZACIVSA-N 246.354 3.518 30 20 BHED CSc1ccc(C=NOCC2CCC2)cc1 753822286 SDIHSRZCNXMHSI-UHFFFAOYSA-N 235.352 3.559 30 20 BHED C#CCCCCCC(=O)N(C)CC1CCCCC1 780341848 QYMXZSWPWKUVQI-UHFFFAOYSA-N 249.398 3.609 30 20 BHED CC[C@H]1C[C@H](C)CCC1=NNc1ccnc(F)c1 781130175 PLTJFNJPLXBFJQ-MNOVXSKESA-N 249.333 3.835 30 20 BHED C=CCCN(C)C(=O)Nc1ccc(CCC)cc1 786050873 XDOAMXDILIFQKF-UHFFFAOYSA-N 246.354 3.679 30 20 BHED CC1(C)CCC1=NNc1ccc(F)cc1F 788929658 XUYIQDJRYIDSBC-UHFFFAOYSA-N 224.254 3.553 30 20 BHED C#C[C@@H](CCC)NC(=O)C[C@@H](CC)CCCC 791745560 PHNULPIGHZLLBI-KBPBESRZSA-N 237.387 3.511 30 20 BHED N#Cc1ccccc1-c1cccc2ccoc12 793380329 GMEPAQNMROHTTB-UHFFFAOYSA-N 219.243 3.971 30 20 BHED C[C@H]1CC[C@@H](C=NNc2cc(Cl)ccn2)C1 800816025 XQYGHPXSMNCCAR-VHSXEESVSA-N 237.734 3.569 30 20 BHED C=CCCCCOC(=O)[C@H](SCC)C(C)C 811011628 GCQGRIVXENBYKT-GFCCVEGCSA-N 244.400 3.664 30 20 BHED CCCC1CCC(=NOCC2CC2)CC1 814244259 KZJWADYUNVTTAF-UHFFFAOYSA-N 209.333 3.759 30 20 BHED CSC(C)(C)CC=NOCc1ccccc1 814791873 JYBUDBRQGADXJC-UHFFFAOYSA-N 237.368 3.721 30 20 BHED C=CC(C)(C)C(=O)O[C@H]1CCc2ccc(F)cc21 835204962 NGSVFCBLWLGFMY-ZDUSSCGKSA-N 248.297 3.568 30 20 BHED CCCCCCOC(=O)[C@@]1(C#N)CC12CCCC2 837909860 YLHBTFNTOGENQD-HNNXBMFYSA-N 249.354 3.584 30 20 BHED CCCON=C(C)c1ccc(SC)cc1 842565865 PFVFXLXSSJSSCM-UHFFFAOYSA-N 223.341 3.559 30 20 BHED CC(C)c1ccccc1C=NOCC(F)(F)F 848408175 ZVWTVTBAPSYQTE-UHFFFAOYSA-N 245.244 3.723 30 20 BHED CC(=NOC(C)(C)C)c1cc(C)sc1C 1116404532 JOSMAIUIWHBXDV-UHFFFAOYSA-N 225.357 3.904 30 20 BHED C[C@@H]1CCC[C@H](C=NNCc2ccc(F)cc2)C1 1116437000 NKDGCENIEKZXRR-OCCSQVGLSA-N 248.345 3.727 30 20 BHED CC[C@H](N[C@H](C)CC(C)(C)C#N)[C@@H]1CC1(C)C 1182445150 WUGOGLABVWMVET-AGIUHOORSA-N 236.403 3.729 30 20 BHED CCN(CCCCC1(C#N)CCC1)C(C)(C)C 1333545645 PQPORDARUBKKPJ-UHFFFAOYSA-N 236.403 3.971 30 20 BHED C=C(CC)C(=O)N1CC(C)(C)[C@@H]1c1cccs1 1521591843 CAJQAXVTTXOQEJ-LBPRGKRZSA-N 249.379 3.624 30 20 BHED CCCC(CC)=NNc1ccc(C)c(C(=O)O)c1 1595586037 MVKMFGODTDEMEG-UHFFFAOYSA-N 248.326 3.671 30 20 BHED N#Cc1ccc(Sc2ccccc2Cl)nc1 19846590 OTPCQWMFNMVVSU-UHFFFAOYSA-N 246.722 3.758 30 20 BHED CCc1c([C@@H](C)S)oc2ccccc12 20476652 KEMGWGYKLQOEBG-MRVPVSSYSA-N 206.310 3.986 30 20 BHED Cc1cc(C)cc(COc2ccccc2C#N)c1 37975918 CRZPWHCHQAQYRC-UHFFFAOYSA-N 237.302 3.754 30 20 BHED CC1(C)CCCN(c2ccc(C#N)cc2)CC1 87658067 OQBJBDGPCYDRAU-UHFFFAOYSA-N 228.339 3.575 30 20 BHED C=C(C)COc1c(Cl)cccc1Cl 98069947 UHDSROHEHNVTNA-UHFFFAOYSA-N 217.095 3.948 30 20 BHED C=CCC[C@@H](CC)Nc1ccc(CC#N)cc1 133167302 LFWIKVFPVBENRG-CQSZACIVSA-N 228.339 3.909 30 20 BHED C=CCCCC(=O)Nc1cc(F)cc(Cl)c1 177780364 YHGUSXRGSTXJKK-UHFFFAOYSA-N 241.693 3.774 30 20 BHED Cc1ccc(C#N)cc1NC/C(Cl)=C\Cl 211256711 KGARGAUJBPBXAX-BJMVGYQFSA-N 241.121 3.598 30 20 BHED Cc1ccc(F)c(N=Cc2ccccc2O)c1 254797943 KDLSPERXNIBWOT-UHFFFAOYSA-N 229.254 3.590 30 20 BHED C=C(Cl)CN[C@H](c1ccc(F)cc1)C(C)C 309410075 XUCKQFODCDIXBI-ZDUSSCGKSA-N 241.737 3.865 30 20 BHED C=C(CC)CN[C@@H](CC)c1ccc(OC)cc1 313482371 MZVFZVASLXCSHY-HNNXBMFYSA-N 233.355 3.702 30 20 BHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1CCCCC#N 347623345 XRRPIIARVMAIRS-KGLIPLIRSA-N 236.403 3.827 30 20 BHED C=C[C@H]1CCCCN1Cc1ccsc1C 353239646 ZTVRBQZLDIOPCP-ZDUSSCGKSA-N 221.369 3.597 30 20 BHED C=CCC[C@@H](C)N[C@H](C)c1ccncc1CC 361127923 BRHDFBTVIXYOSN-CHWSQXEVSA-N 232.371 3.649 30 20 BHED CCCN(Cc1ccc(C#N)cc1F)CC(C)C 381428306 FWGBZRWGAZRSIQ-UHFFFAOYSA-N 248.345 3.565 30 20 BHED C=CCCCCCCCN[C@@H]1CCSC1 389895414 YPADJTRTICTPMZ-CYBMUJFWSA-N 227.417 3.608 30 20 BHED CCCCCCCCCN1CCC[C@H](O)CC1 393453092 GWPMPOWUZJDYED-HNNXBMFYSA-N 241.419 3.584 30 20 BHED N#CCCS[C@@H]1CCc2c(Cl)cccc21 413017128 XXDAEMWDGNYWMW-GFCCVEGCSA-N 237.755 3.974 30 20 BHED CC[C@H](C)CN(CC)CC#Cc1ccc(F)cc1 437580284 UEJZWHJPVDHWGT-AWEZNQCLSA-N 247.357 3.545 30 20 BHED N#C[C@H]1CC[C@@H](NCCC2=CCCCCC2)C1 442842055 PLLBAHNYRYQXQW-LSDHHAIUSA-N 232.371 3.549 30 20 BHED C=CCC1(C(=O)N[C@H](C)CC2CC2)CCCCC1 448970726 ZHCMTUIHJHJESL-CYBMUJFWSA-N 249.398 3.818 30 20 BHED C=CCCc1noc(C(C)(C)c2ccccc2)n1 453224973 CJNBWJIHRLTVOM-UHFFFAOYSA-N 242.322 3.514 30 20 BHED CC#CCCN1CCCCC[C@@H]1c1ccc(C)o1 462323977 WMYYTSUZICYFKV-OAHLLOKOSA-N 245.366 3.919 30 20 BHED C=CCN(CC=C)C(=O)C1(CC(C)C)CCCC1 463263056 RKOSPTWURQYXQO-UHFFFAOYSA-N 249.398 3.794 30 20 BHED C=CCC[C@@H](CC)Nc1cccc2c1CCO2 475494463 IJWCOLVQRDRQOZ-GFCCVEGCSA-N 231.339 3.778 30 20 BHED C=CCCCCNCc1cc2ccc(F)cc2[nH]1 486708696 KCWBGKLRCSINAW-UHFFFAOYSA-N 246.329 3.753 30 20 BHED C=CCC[C@H](C)N[C@H]1CCO[C@H](CC(C)C)C1 541772163 UPVQJKGRLSOMQW-SOUVJXGZSA-N 239.403 3.524 30 20 BHED CC(C)=CCSc1ccc(C#N)cc1 551060210 FTRMRKPZHUHGKJ-UHFFFAOYSA-N 203.310 3.617 30 20 BHED C=C(C)C[C@H](C)C(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 571356671 REHQPNCXMQXSKN-MJBXVCDLSA-N 249.398 3.626 30 20 BHED C=CCCCCSCc1nc(C(F)F)no1 573831616 DFUFJNYRHZOWAS-UHFFFAOYSA-N 248.298 3.597 30 20 BHED Cc1cc(C)c(CNC[C@@H](C)CCC#N)c(C)c1 602524644 OFCXFQPYERKTFC-LBPRGKRZSA-N 244.382 3.641 30 20 BHED C[C@H](CCC#N)CNC(C)(C)c1cccs1 602546355 LIHXLPHQSZBZTC-LLVKDONJSA-N 236.384 3.513 30 20 BHED C=CCCN(C)CCc1cccc2ccccc12 606897361 RPYHYUCHCQGJCG-UHFFFAOYSA-N 239.362 3.890 30 20 BHED C=CCC1(NCc2c(C)noc2C)CCCCC1 625934624 UUGLJNAJXZYBJY-UHFFFAOYSA-N 248.370 3.660 30 20 BHED C=CC[C@H](C)NC(=S)Nc1ccc(C)cc1C 734986328 KAOUNDWUWYLLHL-LBPRGKRZSA-N 248.395 3.554 30 20 BHED C=CCCCOC(=O)c1sccc1C(C)C 735531056 VDAGRCWUDFPTST-UHFFFAOYSA-N 238.352 3.995 30 20 BHED CC[C@@H]1CCC[C@H](/N=C\c2ccccc2O)C1 740763213 BZZHENPWYHIBOD-ZRIJEWCQSA-N 231.339 3.780 30 20 BHED Cc1ccsc1/C=C1/Oc2ccccc2C1=O 742438193 ZXIVKXIMIYMXAH-XYOKQWHBSA-N 242.299 3.673 30 20 BHED C=C(C)CCOC(=O)c1cccc(OCCC)c1 744300249 UKONHOAMAOUSKI-UHFFFAOYSA-N 248.322 3.598 30 20 BHED C[C@H](C=NNc1ccccc1Cl)CCC#N 765992856 PVCHSAILKFHFNZ-JTQLQIEISA-N 235.718 3.678 30 20 BHED CCCCCCCSCc1cc(C)n(C)n1 767832230 SVOAULXGYMPLOT-UHFFFAOYSA-N 240.416 3.932 30 20 BHED CCC(C)=NNc1ccc(Cl)c(OC)c1 788471943 LCSOUKGJJADPOA-UHFFFAOYSA-N 226.707 3.546 30 20 BHED CC(C)C(C=NNc1ccc(F)cn1)C(C)C 789018122 OVSJTWMJRYKFPD-UHFFFAOYSA-N 237.322 3.547 30 20 BHED CCC(=NOCc1ccc(F)cc1)c1ccco1 814903549 OQBCPPKRANQCTC-UHFFFAOYSA-N 247.269 3.750 30 20 BHED c1ccc(C[C@H]2CCC(=NOC3CCC3)C2)cc1 814936532 XSFCZRXXUUMTSP-CQSZACIVSA-N 243.350 3.954 30 20 BHED CC(=NO[C@@H]1CCCCO1)[C@@H]1CCCC[C@H]1C 834966142 DBXDAPMEMUDADX-MRVWCRGKSA-N 239.359 3.732 30 20 BHED C=C(C)COC(=O)Cc1csc2ccccc12 917285996 QMARIUKDTCLKKG-UHFFFAOYSA-N 246.331 3.563 30 20 BHED C=C1CN(C(=O)Nc2c(C)cccc2C(C)C)C1 929189060 MGWSDHRUEFLPLO-UHFFFAOYSA-N 244.338 3.522 30 20 BHED CCCCCCCc1nnc(-c2cccn2C)o1 1117236220 WCFRXYWRZMPWON-UHFFFAOYSA-N 247.342 3.588 30 20 BHED C=CCN(C(=O)CC(C1CC1)C1CC1)C(C)(C)C 1118788657 QDNILCUVRAWNHW-UHFFFAOYSA-N 249.398 3.626 30 20 BHED C=CCC[C@H]1CCCN1C(=O)c1cc(C)cs1 1120814201 YOEUUAGSOWCTBE-LBPRGKRZSA-N 249.379 3.627 30 20 BHED CC[C@@H]1CCC[C@H]1CN[C@H](C)CC(C)(C)C#N 1181846266 YWUJZDBXOFDFQD-MCIONIFRSA-N 236.403 3.731 30 20 BHED C=C(C)COc1ccc(C)c2c1C(=O)C[C@H]2C 1322353300 ZJYMPLCEWAJSOZ-LLVKDONJSA-N 230.307 3.640 30 20 BHED N#Cc1cc(F)cc(N[C@@H]2CC[C@@H]2C2CCC2)c1 1462501765 DDADIQXNHVFRRD-HUUCEWRRSA-N 244.313 3.688 30 20 BHED Cc1ccc(OCc2cccc(C#N)c2)c(C)c1 19804836 JNTGUHRMVNCTNB-UHFFFAOYSA-N 237.302 3.754 30 20 BHED N#Cc1cccc(NCc2ccccc2Cl)c1 19921889 SGMLOCZPOJCEQK-UHFFFAOYSA-N 242.709 3.824 30 20 BHED C[C@@H]1CCCC[C@H]1CNc1ccc(C#N)cc1 42804698 ZBPMRMRKRLWUQP-OCCSQVGLSA-N 228.339 3.796 30 20 BHED C=CCCCN[C@H](C)c1cccc(Cl)c1 70591799 PXMAZNJTSGKVGN-LLVKDONJSA-N 223.747 3.957 30 20 BHED C=C(CC)CN[C@H](CC)c1ccccc1 85058314 CSVDHWMNKWTXLT-CQSZACIVSA-N 203.329 3.694 30 20 BHED CC(C)[C@H](NCCCCC#N)c1ccccc1 96982333 URSNWFYGTAGWLC-HNNXBMFYSA-N 230.355 3.667 30 20 BHED N#CCCCN[C@@H](c1ccccc1)C1CCCC1 109800982 YBEGDMWZWPUIQZ-INIZCTEOSA-N 242.366 3.811 30 20 BHED CC(C)(C)N(CCCC#N)Cc1ccc(F)cc1 132736573 AIVDTSUGYYVPFS-UHFFFAOYSA-N 248.345 3.730 30 20 BHED C[C@H](S[C@H]1CCO[C@H]1C)c1ccc(C#N)cc1 163700066 UOBGCDWIVRAORO-MJVIPROJSA-N 247.363 3.530 30 20 BHED Cc1cccc(C(=O)/C=C/c2scnc2C)c1 172815649 NPKQOCIUAMZXQM-VOTSOKGWSA-N 243.331 3.656 30 20 BHED C=C(C)CN[C@@H](C)c1nc(C(C)(C)C)cs1 184467776 DCUNPASOWGMEBB-JTQLQIEISA-N 238.400 3.667 30 20 BHED Cc1ccc([C@@H](C)N(C)CCCCC#N)c(C)c1 263769323 CDNZPPMIDITEPW-OAHLLOKOSA-N 244.382 3.990 30 20 BHED C=CCC[C@@H](C)Nc1ccc(F)c([C@@H](C)O)c1 289774574 RJUCWHDEMISLPG-GHMZBOCLSA-N 237.318 3.646 30 20 BHED CC[C@]1(c2ccc(Cl)c(Cl)c2)O[C@H]1C#N 306585877 KKQXJAIRAGRKJY-WDEREUQCSA-N 242.105 3.521 30 20 BHED C=CCCN(Cc1ccccc1F)C(C)C 338544393 NVIZETMEXNULMD-UHFFFAOYSA-N 221.319 3.612 30 20 BHED C=CCCCC[C@H](C)N[C@H]1CCS[C@@H]1C 380138025 UZJKKSXDXUMQKY-XQQFMLRXSA-N 227.417 3.605 30 20 BHED C=CCCC1(C(=O)N[C@@H](C)CCC(C)C)CC1 474413585 JMCRBTOBBLKMHL-ZDUSSCGKSA-N 237.387 3.674 30 20 BHED N#CCN(CC1CCCCC1)CC1CCCCC1 477670073 BCELBUNEKMVQIO-UHFFFAOYSA-N 248.414 3.973 30 20 BHED C=CCCCCCSCC1(C#N)CC1 485604348 UIJBBHIAMCQBAQ-UHFFFAOYSA-N 209.358 3.770 30 20 BHED Cc1cc(CN(C)C2CCCCC2)ccc1C#N 486815922 AMNNZWLUYIPXCS-UHFFFAOYSA-N 242.366 3.631 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@H](C)C(CC)CC 488817439 OWGHQDLNXMPSRP-TZMCWYRMSA-N 237.387 3.626 30 20 BHED C=CCC[C@H](CCC)N[C@H](C)[C@H]1CCCOC1 507478641 NEEZDBZVZWIGCJ-ILXRZTDVSA-N 239.403 3.526 30 20 BHED CC1=CCC[C@H](C)[C@H]1CN1CCC(CC#N)CC1 527207041 YUNKGWMYVUZWAK-HOCLYGCPSA-N 246.398 3.604 30 20 BHED C=CCNc1ccccc1N(C)C1CCCC1 532393813 KLCBOGHLIDEUOM-UHFFFAOYSA-N 230.355 3.663 30 20 BHED C=CCC[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccco1 554096965 SUAYPPANAVQRFX-AXFHLTTASA-N 241.281 3.530 30 20 BHED CC(C)C1CCC(CN(C)[C@H](C)CC#N)CC1 557521256 RYEZOBSMXCXEKT-WLYUNCDWSA-N 236.403 3.683 30 20 BHED C=CC[C@@H](C)NCc1ccccc1OCC(C)C 559894854 SNJRTDGACDXDHW-CQSZACIVSA-N 247.382 3.776 30 20 BHED CCCC[C@@H]1CCC[C@@H]1Nc1cc(C#N)ccn1 583280142 IBESXVFRTSOBBS-KGLIPLIRSA-N 243.354 3.724 30 20 BHED CCN(CC#N)[C@@H](C)c1cccc2ccccc12 591012473 MUYIWOQYCYSKDI-ZDUSSCGKSA-N 238.334 3.746 30 20 BHED Cc1ccc2ccnc(NCC(C)(C)C#N)c2c1 591929214 MEJIQYGOIUTKCF-UHFFFAOYSA-N 239.322 3.505 30 20 BHED C=CCSCc1ccn(C(CC)CC)n1 610914244 RWKDSVWKDZZRTQ-UHFFFAOYSA-N 224.373 3.663 30 20 BHED C=CCCC(C)(C)NC(=O)CC(C)(C)CC 620858997 URYKSWMMKXYWJM-UHFFFAOYSA-N 225.376 3.674 30 20 BHED C=CCCN[C@@H]1CCc2cc(F)c(Cl)cc21 624011518 BUXRIIOTQNKOTG-CYBMUJFWSA-N 239.721 3.632 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccsc1 669861464 IBHCYUFUXDEUTL-ZWNOBZJWSA-N 237.368 3.528 30 20 BHED Oc1ccc(Cl)cc1/C=N\[C@H]1CC=CCC1 735978509 GSCNQMPKSDTBTD-ZENNRRHLSA-N 235.714 3.573 30 20 BHED C[C@H]1CC(/N=C\c2ccccc2O)C[C@H](C)C1 739425062 BHIHMZMBMFTSIY-FAAFXDJTSA-N 231.339 3.636 30 20 BHED CC[C@@H](C)C=NNc1cccc(C(F)(F)F)n1 755740707 VUQKMOIDCLTYGQ-MRVPVSSYSA-N 245.248 3.544 30 20 BHED C[C@@H](C=NOCC(F)F)CCc1ccccc1 758899709 LNMSKVVPRYKSMO-LLVKDONJSA-N 241.281 3.523 30 20 BHED C#CCCCN(C)Cc1ccc(C(C)C)cc1 766894558 DVHKXAMAONEDQE-UHFFFAOYSA-N 229.367 3.655 30 20 BHED CCC(CC)NN=C1CCCC[C@@H]1CC 779770671 AEDMBSIKQKZNEA-NSHDSACASA-N 210.365 3.721 30 20 BHED CSCCON=C1CCC2(CCCC2)CC1 811648240 NNHDMALGHUACBI-UHFFFAOYSA-N 241.400 3.856 30 20 BHED CC[C@@H]1CC[C@@H](C)CC1=NOCCOC(C)C 812237687 KBLXLBFYQZIONM-CHWSQXEVSA-N 241.375 3.630 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(C)c(C)c1O 834881708 DLSYAADADILXKZ-CYBMUJFWSA-N 233.355 3.626 30 20 BHED C#CCCCCCC=NOCCC(F)(F)F 834972333 NGHGWMRNMNPCNT-UHFFFAOYSA-N 235.249 3.525 30 20 BHED C=CC(C)(C)C(=O)OCc1sccc1Cl 835369439 UXKDITPSLZQBSB-UHFFFAOYSA-N 244.743 3.657 30 20 BHED C=CC[C@@H](C)[C@@H](C)Nc1ccc(OCC#N)cc1 1320094416 LAFZYEPUSPBDAM-CHWSQXEVSA-N 244.338 3.602 30 20 BHED C[C@H](Nc1ccc(C#N)cc1)c1ccccc1F 19951104 CKYZYXKJUBEPIH-NSHDSACASA-N 240.281 3.870 30 20 BHED Cc1ccc(CNc2ccc(C#N)cc2)cc1C 37212148 RWYRVXKHYODZCG-UHFFFAOYSA-N 236.318 3.787 30 20 BHED CC[C@@H](CC#N)N[C@H](C)c1ccc2c(c1)CCC2 54183274 QURSDKRXZSPWNQ-WBMJQRKESA-N 242.366 3.518 30 20 BHED CC[C@@H](C)[C@@H](C)Nc1ccc(F)cc1C#N 82516479 XJLGVKFFSQQCEN-NXEZZACHSA-N 220.291 3.544 30 20 BHED C[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2)CC1 86887786 LAXDFBPMXQHUFH-CJNGLKHVSA-N 242.366 3.617 30 20 BHED CC[C@@H](C)[C@@H](C)N(CCCCC#N)C1CC1 104967243 PXPLNMDKCABGLF-CHWSQXEVSA-N 222.376 3.579 30 20 BHED CC[C@H](C#N)SCc1ccc(C)c(C)c1 127813297 OKGHIDAINSDWAV-CYBMUJFWSA-N 219.353 3.839 30 20 BHED C=C[C@H](C)N[C@@H](CCC)c1cccc([N+](=O)[O-])c1 132679674 DYPGQRKGEDSDIA-FZMZJTMJSA-N 248.326 3.600 30 20 BHED C=C[C@H](C)NCc1ccc(-c2ccccc2)o1 153635296 UFYMNLAQNAYSLB-LBPRGKRZSA-N 227.307 3.611 30 20 BHED C=CCCCc1nc(-c2ccc(C)cc2)no1 178407460 VIIASIYSIWNFIE-UHFFFAOYSA-N 228.295 3.554 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1cccc(O)c1 181548572 ZQQIMQUEYGGUTR-QWHCGFSZSA-N 233.355 3.788 30 20 BHED Cc1ccccc1S[C@H](C)CCC#N 188300655 WKKMRTJTNRLZAY-LLVKDONJSA-N 205.326 3.779 30 20 BHED C=CCN[C@@H](C)c1csc2ccccc12 200957960 QUHWEPUSSDJUFJ-JTQLQIEISA-N 217.337 3.738 30 20 BHED CCCN(CCCCC(C)(C)C#N)CC1CC1 233042073 ZTSBJTUYEWHIIA-UHFFFAOYSA-N 236.403 3.828 30 20 BHED N#Cc1ccc(C(=O)/C=C\c2ccccc2)s1 255116111 UCSJGZOQEWKGKZ-VURMDHGXSA-N 239.299 3.516 30 20 BHED C[C@@H](c1ccc(F)cc1)N1CCC[C@H](CC#N)C1 259819552 WHUAWZRDVRJWMC-QWHCGFSZSA-N 246.329 3.512 30 20 BHED Cc1ccc2c(C)cc(NCCCC#N)nc2c1 274108773 XZQRLTRRTGSJIJ-UHFFFAOYSA-N 239.322 3.567 30 20 BHED C=C(C)CCN(C1CC1)[C@H](C)c1ccco1 351717032 CUTCRGZKDRNRJL-GFCCVEGCSA-N 219.328 3.771 30 20 BHED C=C[C@H](C)Nc1ccnc2c(Cl)cccc12 381240526 MYNHVWDFXMSHNZ-VIFPVBQESA-N 232.714 3.875 30 20 BHED C=CCC[C@H](CC)N[C@@H]1CCC(C)(C)C1 389991497 ONQARPJVZJPSBD-QWHCGFSZSA-N 209.377 3.900 30 20 BHED N#CCC1CCN([C@@H]2C=CCCCCC2)CC1 397174725 GBTSTIDBLJLZJC-OAHLLOKOSA-N 232.371 3.501 30 20 BHED C=CCCC[C@H](C)N[C@@H]1CCCc2cccnc21 398190084 RDKOEUILFITPTD-DZGCQCFKSA-N 244.382 3.793 30 20 BHED N#Cc1ccc(/C=C\c2sccc2Cl)nc1 447364924 FGTMLSRRRHNMDA-ARJAWSKDSA-N 246.722 3.839 30 20 BHED C=CCCc1noc([C@@H](CC)CC(F)(F)F)n1 453216496 HFQMRHNFMMZOCF-QMMMGPOBSA-N 248.248 3.634 30 20 BHED CCCC[C@H]1CCC[C@@H]1NCC(C)(C)CC#N 459730422 MDHDMIMQVXQNOC-KBPBESRZSA-N 236.403 3.875 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 474091637 YQXOAXNIOYELSA-HZSPNIEDSA-N 249.398 3.674 30 20 BHED C=CCCC1(C(=O)N(C)c2cccc(C)c2)CC1 475521192 MOIHHINQHFCQQJ-UHFFFAOYSA-N 243.350 3.704 30 20 BHED CCC[C@@H](CC)Sc1ncccc1C#N 480844391 JUYBFEMXKKWHBM-LLVKDONJSA-N 220.341 3.624 30 20 BHED CC(C)=CCC[C@H](C)CCN(C)C[C@@H](C)C#N 482078678 SSSWNBXEQGWVNG-GJZGRUSLSA-N 236.403 3.850 30 20 BHED C=CCN(CCC(=C)C)Cc1ccccc1F 509260821 WPPYMPAEPJEDGL-UHFFFAOYSA-N 233.330 3.780 30 20 BHED C=C(C)CCN(C)[C@@H](C)c1ccc(F)c(F)c1 509840025 OVUAMPUOZDGHRI-NSHDSACASA-N 239.309 3.924 30 20 BHED CCCOc1ccccc1C#C[Si](C)(C)C 521399585 DDEQCRUXSFSGES-UHFFFAOYSA-N 232.399 3.704 30 20 BHED C[C@H](N[C@H](C)CC(C)(C)C#N)c1ccccc1 695790208 HYAFUZUSXCMFTP-OLZOCXBDSA-N 230.355 3.666 30 20 BHED CCON=C(Cc1ccc(C)cc1)C(C)C 741457746 IZMLXEFGYAZBKP-UHFFFAOYSA-N 219.328 3.586 30 20 BHED C=CCCCC(=O)Oc1ccc(Cl)c(C)c1 748664271 FEUXYTVEJRTJMJ-UHFFFAOYSA-N 238.714 3.910 30 20 BHED C=C(Cl)CN1CC[C@@H](c2ccccc2)[C@H]1C 751775882 IXIPFKKRUVWHCD-TZMCWYRMSA-N 235.758 3.617 30 20 BHED C[C@H](Sc1cccc(C#N)n1)c1cccs1 755907472 DOEVXUOPWGKKDD-VIFPVBQESA-N 246.360 3.868 30 20 BHED C[C@H](NN=C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 762420265 YZPDAISZBOIOEC-SDADXPQNSA-N 242.366 3.759 30 20 BHED Fc1ccc(C=NOC2CCCCC2)cc1 777457122 LOUJEVLUDHBHGP-UHFFFAOYSA-N 221.275 3.509 30 20 BHED CCCCCCCCN1CCC[C@H]1c1ncc[nH]1 778226055 OAHWFIAKYLNMMZ-AWEZNQCLSA-N 249.402 3.907 30 20 BHED C=CCN(C(=O)/C(=C\C)CC)c1ccccc1 789616083 LFWATQHIQBCXHA-ACAGNQJTSA-N 229.323 3.562 30 20 BHED CC[C@@H](C)CON=C(C)c1cccs1 793158551 IQSSTVDSAQZWIR-SECBINFHSA-N 211.330 3.535 30 20 BHED CCCCC(C)=NNc1cccc(Cl)n1 793173582 AYJQSXYLQZJLMN-UHFFFAOYSA-N 225.723 3.713 30 20 BHED C[C@@H]1CC(=NOC/C=C/Cl)C[C@@H](C)C1 811668525 PHIGCQBXGOEKSS-OHINUGQQSA-N 215.724 3.568 30 20 BHED CC(=NOC/C=C\Cl)c1cccc(C)c1C 811670873 HBVUWZQYBYJWAB-UJIJHOJUSA-N 237.730 3.797 30 20 BHED Cl/C=C/CON=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 811671298 CPEAQSSKTGQBBG-IMSZDUHWSA-N 239.746 3.568 30 20 BHED N#C[C@H]1CCC[C@H](OC(=O)CC2CCCCC2)C1 839041523 DJFHEEXGLFHXHA-KBPBESRZSA-N 249.354 3.582 30 20 BHED C=CCC[C@@H](CCC)NCC1SCCS1 850561049 QDDJVUJOKRZKSM-LLVKDONJSA-N 245.457 3.517 30 20 BHED C=CCN(Cc1cccc(Cl)n1)C(C)(C)C 852554109 CISHPVRXHTWBNW-UHFFFAOYSA-N 238.762 3.522 30 20 BHED C#C[C@H](OC(=O)CCCC=C)c1ccc(C)cc1 860964351 NWVPVESYOTXRON-HNNXBMFYSA-N 242.318 3.569 30 20 BHED CC[C@H](NC1(CC)CC1)c1cccc(C#N)c1 903006823 OBGJYLQBUWMKLU-AWEZNQCLSA-N 228.339 3.542 30 20 BHED CC(C)=CCC/C(C)=C/C=NNc1ncccn1 912973388 XXHPPWAWDCFJTO-GBQPSVCWSA-N 244.342 3.567 30 20 BHED CCN(CCCCC1(C#N)CCC1)CCC1CC1 1119817237 OGBFGMMMMHWJFZ-UHFFFAOYSA-N 248.414 3.973 30 20 BHED C=C(Cl)CNC(C)(C)c1cccc(Cl)c1 1168622853 PXQPVKBEGUQSKZ-UHFFFAOYSA-N 244.165 3.917 30 20 BHED CC(C)CCN(CCC#N)C[C@@H](C)C(C)(C)C 1191367645 RWFXDRPQJIYKTC-CQSZACIVSA-N 238.419 3.930 30 20 BHED C=CCCN1C[C@H]2CCCC[C@@]21c1ccccc1 1321425643 DWEMSQDYRJPKFJ-IAGOWNOFSA-N 241.378 3.964 30 20 BHED CCCCCCCNC(=O)CCc1ccccc1 3159976 WNVJNNDJHSWQAK-UHFFFAOYSA-N 247.382 3.706 30 20 BHED N#Cc1c(F)cccc1Sc1ccccc1F 39037872 TZOGPTIPHRAUGM-UHFFFAOYSA-N 247.269 3.988 30 20 BHED C[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)CC1 78535523 AXFRJTWKXSNTKJ-LLVKDONJSA-N 248.757 3.838 30 20 BHED CC(C)(C#N)CCCNc1ccc(F)cc1 83640741 QLOAEKREYBJTPC-UHFFFAOYSA-N 220.291 3.568 30 20 BHED Cc1cc(C#N)ccc1OCCCC(C)(C)C#N 135496907 QNTPJPKEPNCONO-UHFFFAOYSA-N 242.322 3.575 30 20 BHED C=CC[C@H](C)N[C@@H](CC)Cc1ccccc1 161637781 YDMFTTRVWXJKKM-ZFWWWQNUSA-N 217.356 3.562 30 20 BHED CC(C)C1(CNc2ccc(F)cc2C#N)CC1 227823178 GHHVSJBDIUHHCF-UHFFFAOYSA-N 232.302 3.545 30 20 BHED C=CCCC[C@@H](C)Nc1ncnc2sccc12 302004967 UCZIGUVAIYQAMR-SNVBAGLBSA-N 247.367 3.848 30 20 BHED Cc1cc(C#N)cc(NC2CCCCC2)c1 308103086 BYWSARAEYHGDOA-UHFFFAOYSA-N 214.312 3.611 30 20 BHED C=CCCSc1ccc(F)cc1F 308246251 VZFKISVORYHLIJ-UHFFFAOYSA-N 200.253 3.633 30 20 BHED CCCCCCCSC[C@H](C)OC 308471872 KTURPXYJPMSBHU-NSHDSACASA-N 204.379 3.725 30 20 BHED C=CCCCC[C@H](C)N[C@@H](CC)C1CC1 309185758 OSOPQXHWGZSDES-JSGCOSHPSA-N 209.377 3.900 30 20 BHED C[C@@H]1CCC[C@@H](Nc2cccc(CC#N)c2)[C@@H]1C 313486944 YWTNWBUUABQXHJ-XJKCOSOUSA-N 242.366 3.989 30 20 BHED C[C@@H](c1cccc(F)c1)N1CCC(CC#N)CC1 335978623 POKAVPMXYFWGGX-LBPRGKRZSA-N 246.329 3.512 30 20 BHED CC(C)(C#N)CCCCN1CCC2(CCC2)C1 365435372 XHFOKDDNQINQGF-UHFFFAOYSA-N 234.387 3.582 30 20 BHED CC1(C#N)CCN([C@@H]2C=CCCCCC2)CC1 379792960 CCHOVYCOMKFBDU-CQSZACIVSA-N 232.371 3.501 30 20 BHED C=C(C)CNC1(c2ccccc2)CCCC1 390266061 PWFAJHFRVZQFKO-UHFFFAOYSA-N 215.340 3.622 30 20 BHED CC1(C)C[C@@H](c2ccccc2)N(CCCC#N)C1 425537372 HAAVRBTZGJGZAO-HNNXBMFYSA-N 242.366 3.763 30 20 BHED Cc1cc(N[C@H]2CC[C@@H](C#N)C2)ccc1C1CC1 442843791 ULCYHXPJMSEUAY-DOMZBBRYSA-N 240.350 3.977 30 20 BHED C=CC[C@H](C)NC[C@@H](C)c1cc(F)cc(F)c1 449151010 VEDVRHQVRHADJR-MNOVXSKESA-N 239.309 3.623 30 20 BHED C=C(C)CN(C)C[C@@H](C)c1cc(F)cc(F)c1 449228848 WKQDAIUJBUALRV-LLVKDONJSA-N 239.309 3.576 30 20 BHED C=CC(C)(C)C(=O)N1CCC(CC)(CC)CC1 450773308 RAMRNHWVRRIELL-UHFFFAOYSA-N 237.387 3.627 30 20 BHED CCOc1ccc(C#N)cc1NC1CCCCC1 501020601 SRMVHIRCWZGYSZ-UHFFFAOYSA-N 244.338 3.702 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)CCc1ccco1 532461692 OCRZPHCVXCJIFQ-MELADBBJSA-N 235.371 3.791 30 20 BHED C=C(C)CNC(=O)c1ccc(C2CCCC2)cc1 566013575 UPOFMUOAMXEJGB-UHFFFAOYSA-N 243.350 3.650 30 20 BHED C=C1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 572646761 JWMZRCWFYHEQIC-IHWYPQMZSA-N 249.304 3.630 30 20 BHED CC[C@@H](c1ccccc1)N(CCC#N)C(C)C 595858121 SRHJHMQIPDZLSG-HNNXBMFYSA-N 230.355 3.762 30 20 BHED CSCC1(CCNc2ccc(C#N)cc2)CC1 596426622 FLGWNIHMEOSEFA-UHFFFAOYSA-N 246.379 3.503 30 20 BHED Cc1cccc(C(C)(C)NC[C@H](C)CCC#N)c1 602550868 DJSOLVPJHUTHLY-CQSZACIVSA-N 244.382 3.760 30 20 BHED CC(C)c1cccc(CNC[C@@H](C)CCC#N)c1 602618611 ZYCMABQCRZYQHL-AWEZNQCLSA-N 244.382 3.839 30 20 BHED C=CCC1(NC(=O)CCCC2CC2)CCCC1 619111087 UVHMMDNTLHTNPZ-UHFFFAOYSA-N 235.371 3.572 30 20 BHED C=C[C@H](CC(=O)N[C@H](C)CCC)c1ccccc1 677508335 JZDDTKPIOKWSPG-ZIAGYGMSSA-N 245.366 3.651 30 20 BHED CCCCCCCN[C@H]1CCOC2(CCC2)C1 703733297 IVSXPYCTYCXJBJ-AWEZNQCLSA-N 239.403 3.648 30 20 BHED Fc1ccc(/C=C\C=NNc2ccccc2)cc1 747737326 YQANWOVYXQIRPO-MRLUTGBVSA-N 240.281 3.937 30 20 BHED C=C(Cl)CN(C)C1CCC(C)(C)CC1 756056582 DQHMHBOAVYQTTH-UHFFFAOYSA-N 215.768 3.640 30 20 BHED C[C@H]1CC(=NOCCC(F)(F)F)CC[C@H]1C 777455591 JUUNNNNTZSUZBC-BDAKNGLRSA-N 237.265 3.768 30 20 BHED CC(C)(C)CCNN=Cc1cc2ccccc2o1 782907760 OOUCUKZMMUISHD-UHFFFAOYSA-N 244.338 3.793 30 20 BHED CCC(CC)CNN=C1CCC12CCCC2 788723129 NRYYSOVWWBUCFV-UHFFFAOYSA-N 222.376 3.722 30 20 BHED Cc1cc(F)ccc1C=NNCC1(C)CCCC1 793084070 IKLMMIKKMSVHMI-UHFFFAOYSA-N 248.345 3.638 30 20 BHED CC[C@H]1CC[C@@H](C)CC1=NOCc1cccnc1 797402005 SUHGWMIBDDUIKG-OCCSQVGLSA-N 246.354 3.800 30 20 BHED C[C@H]1CCC[C@H](C=NOCCC2CC2)C1 814246275 YKXQKOQRJNZWJJ-AAEUAGOBSA-N 209.333 3.615 30 20 BHED C[C@H]1CCC(=NOCCC2CC2)[C@H](C)C1 814246907 HSKJGKSAYDBECW-WDEREUQCSA-N 209.333 3.615 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccc(C)c(C)c1O 834884433 ZHDXJOBFDHOSOA-ZDUSSCGKSA-N 247.382 3.872 30 20 BHED C=CC(C)(C)C(=O)OCc1ccc(Cl)s1 835111239 YNTFYFVIPQOCOX-UHFFFAOYSA-N 244.743 3.657 30 20 BHED CC[C@H](C)C(C)=NNc1cccc(C(=O)O)c1C 844626747 BRPKUQWTRSTMEL-VIFPVBQESA-N 248.326 3.527 30 20 BHED CCOC1CCC(=NOCc2ccccc2)CC1 853286524 IPBRHXJMIAQMLB-UHFFFAOYSA-N 247.338 3.538 30 20 BHED Cc1ccc([C@H](C)C=NO[C@@H]2CCCCO2)cc1 863103921 ODUDFBBBPFTQHA-UKRRQHHQSA-N 247.338 3.628 30 20 BHED CCCCCCCCCC(=O)NC[C@H]1C[C@H]1C 915289927 KDXPYIUDVYXCEY-ZIAGYGMSSA-N 239.403 3.899 30 20 BHED Cc1ccccc1C=NNc1cc(F)cc(F)c1 920376780 SEJDOEKIVWFIRP-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C[C@@H](c1ccccc1)[C@H]1CCCN1CCCC#N 932276921 YHFDPPBVRAARNR-GOEBONIOSA-N 242.366 3.558 30 20 BHED CC(=NOC(C)(C)C)c1sccc1C 1253789726 VCLIPRCUNTVFBG-UHFFFAOYSA-N 211.330 3.596 30 20 BHED C=CCC[C@H]1CCCN1C(=O)CCCC1CC1 1514860351 XCZLFPBGGXSJOY-AWEZNQCLSA-N 235.371 3.524 30 20 BHED C=C(C)CN(C)c1cccc(C(C)C)c1 63590036 BFQHQQKOFSYNRG-UHFFFAOYSA-N 203.329 3.822 30 20 BHED CCC(C)(C)CC(=O)Nc1ccc(CC#N)cc1 72936118 CQKMMISPZGVORM-UHFFFAOYSA-N 244.338 3.517 30 20 BHED Cc1ccc(C#N)cc1NC/C(Cl)=C/Cl 85978837 KGARGAUJBPBXAX-YHYXMXQVSA-N 241.121 3.598 30 20 BHED C=CCC[C@H](N[C@@H]1CC[C@H](SC)C1)C1CC1 133961567 PLWUBHOHIJNINU-RDBSUJKOSA-N 239.428 3.605 30 20 BHED CC#CCCCC(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C 185773702 VZVZJSQPGXCCJC-UONOGXRCSA-N 249.398 3.511 30 20 BHED C=CCC[C@H](C)NCc1ccc2ncccc2c1 192977621 SXGWUTFGIFYSOB-ZDUSSCGKSA-N 240.350 3.679 30 20 BHED CC(C)CCSc1cccc(C#N)c1 227599605 HWEMDXMALXIKDO-UHFFFAOYSA-N 205.326 3.696 30 20 BHED C[C@H]1CCC[C@H]1CNc1cccc(F)c1C#N 230684168 XIGSUIGYSJFSAH-QWRGUYRKSA-N 232.302 3.545 30 20 BHED CC(=NNc1ccccc1)c1cccs1 254399358 QWAZWODLXPIHLO-UHFFFAOYSA-N 216.309 3.584 30 20 BHED C=CCCCCN[C@@H](C)c1ccc(Cl)cn1 274806002 WRMBKQOEMKKZPC-NSHDSACASA-N 238.762 3.742 30 20 BHED C=CCCCNc1ccc(C(C)=O)c(C)c1 309691080 PRZOZSROMYVONB-UHFFFAOYSA-N 217.312 3.576 30 20 BHED CSCCCSCc1ccc(C#N)cc1 320602087 PRXIKFNUVCRHSW-UHFFFAOYSA-N 237.393 3.545 30 20 BHED C=CCN(c1nccc2ccc(F)cc12)C1CC1 362649413 MYTCXKZLFWZFLA-UHFFFAOYSA-N 242.297 3.529 30 20 BHED N#CCCCCN1CC2(CCC2)c2ccccc21 373812267 LCKBTFFJBMHJOU-UHFFFAOYSA-N 240.350 3.622 30 20 BHED Cc1ccc(CSCCC#N)c(Cl)c1 413013893 PAVNGCFNQDCKKT-UHFFFAOYSA-N 225.744 3.795 30 20 BHED Cc1cccc(OCC2(C#N)CCC2)c1Cl 418977334 UBFJJAAETDRSQS-UHFFFAOYSA-N 235.714 3.721 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1ccc(C)cc1 424579862 ZMDJRALYFJUUIC-CYBMUJFWSA-N 245.366 3.775 30 20 BHED C=CCC1(C(=O)NCc2cccs2)CCCC1 449080561 XIDKGHWZCKOQOH-UHFFFAOYSA-N 249.379 3.501 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1CC(C)C 450419934 BBLPRXYWMBGINP-BFHYXJOUSA-N 237.387 3.530 30 20 BHED C[C@@H]1CCC(C)(C)N1Cc1ccc(CC#N)cc1 452016866 WQJGVVZKUJSKTD-CYBMUJFWSA-N 242.366 3.516 30 20 BHED C=CCCC1(C(=O)Nc2cc(C)cc(F)c2)CC1 476406273 DBWNMJUMOOWWKD-UHFFFAOYSA-N 247.313 3.819 30 20 BHED C=C(C)CN(C)C(=O)C[C@@H](CC)CCCC 479245997 OSOARLFTYDUXPD-ZDUSSCGKSA-N 225.376 3.627 30 20 BHED C=CCOc1ccc(CN[C@H]2CC[C@@H]2CC)cc1 558255983 QAFXKCVXTMDGSE-HOCLYGCPSA-N 245.366 3.530 30 20 BHED C=CCCCCCN[C@H](C)c1cc(C)ccn1 567290936 PSGBSILWUYKYNX-CQSZACIVSA-N 232.371 3.787 30 20 BHED CCOCc1cccc(NC[C@H](C)CCC#N)c1 602490999 MJODPAVUJZMJDO-CYBMUJFWSA-N 246.354 3.575 30 20 BHED CCC(C[C@H](C)CC)=NNC1CCCC1 727651617 IONIEUUUWUAVSH-LLVKDONJSA-N 210.365 3.721 30 20 BHED CC(=NNc1ccccc1)c1ccc(O)c(C)c1 728225190 LQUAASFSAOIZTD-UHFFFAOYSA-N 240.306 3.537 30 20 BHED C=CCCOC(=O)C[C@H](C)C1CCCCC1 729074341 SVOILUUHOSFLCA-LBPRGKRZSA-N 224.344 3.712 30 20 BHED CC[C@H]1CCCC1=NNc1ccccc1F 758372672 ACOZGFHQKFLICY-JTQLQIEISA-N 220.291 3.804 30 20 BHED CCCCCCCCC(=O)N1CC[C@@H]1C(C)C 775899559 OUPUNQBFPRMOME-CQSZACIVSA-N 239.403 3.994 30 20 BHED CCON=CCCCc1ccc(C)c(C)c1 783821681 NLIQIPZENZOGNG-UHFFFAOYSA-N 219.328 3.648 30 20 BHED CC[C@H](C)NN=C1CC[C@](C)(c2ccccc2)C1 790191733 WQAVWDRPHOESKC-BBRMVZONSA-N 244.382 3.872 30 20 BHED C[C@@H](NN=C1CCC[C@H](C2CC2)C1)C(C)(C)C 793114841 NUWKHCJVKYVYJW-YPMHNXCESA-N 236.403 3.967 30 20 BHED CC[C@H](C)CON=C(C)c1ccc(F)cc1 793158428 FVHOORBREIEYBW-JTQLQIEISA-N 223.291 3.612 30 20 BHED CC(C)OCCON=C1CCCC[C@@H]1C(C)C 812238687 DABYOWFAFZKIRF-CYBMUJFWSA-N 241.375 3.630 30 20 BHED C=CCN(C(=O)/C=C1/CC[C@H](C)C1)C(C)(C)C 857651069 QJBAWXAPHVBULX-KLDSGFLGSA-N 235.371 3.546 30 20 BHED C[C@@H](S[C@@H](C#N)C1CC1)c1cccs1 865357241 HSYVQJQCOFXLOH-KCJUWKMLSA-N 223.366 3.844 30 20 BHED CCc1ccc(C=NNc2ccc(C#N)cc2)cc1 915962187 ODWCBFZIROWIJX-UHFFFAOYSA-N 249.317 3.567 30 20 BHED CC(=NNCc1ccccc1)c1ccccc1C 916345134 WHHPPBYJMYSGNP-UHFFFAOYSA-N 238.334 3.509 30 20 BHED CCCCCCCOC(=O)c1cccc(C#N)c1 918493473 XEIUHKFKYFAWFN-UHFFFAOYSA-N 245.322 3.685 30 20 BHED N#CCC[C@@H](Nc1nccs1)c1ccccc1 1162868657 XJCFERIVRIGHRG-GFCCVEGCSA-N 243.335 3.600 30 20 BHED CC(C)C[C@H]1CCC[C@H](NCC2(C#N)CCC2)C1 1658744818 NRGDYXMDECUBLB-CABCVRRESA-N 248.414 3.875 30 20 BHED C[C@H](Nc1ccc(C#N)cc1F)c1ccsc1 61364671 GIDLPVMCRUBRLF-VIFPVBQESA-N 246.310 3.932 30 20 BHED C[C@@H](CC#N)Sc1ccccc1NCC1CC1 127933732 YDHZUBFETXGXEQ-NSHDSACASA-N 246.379 3.903 30 20 BHED CCC[C@H]1CCCN(Cc2ccc(C#N)s2)C1 131457919 TWTNXJXTABAZHE-LBPRGKRZSA-N 248.395 3.632 30 20 BHED C=C[C@H](C)N[C@H]1CCSc2c(F)cccc21 157269189 IEBVORQFNJZKOF-CABZTGNLSA-N 237.343 3.527 30 20 BHED Cc1cc(C#N)ccc1COc1ccc(F)cc1 165538863 FJLIVFPORBFKGK-UHFFFAOYSA-N 241.265 3.585 30 20 BHED Cc1nsc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1C#N 221472276 QATKHBQVYFGDMV-WCABBAIRSA-N 249.383 3.560 30 20 BHED C=CCC[C@@H](NC[C@@H](C)SC)c1ccco1 276383790 ABFOVYIAODQNTE-VXGBXAGGSA-N 239.384 3.628 30 20 BHED C=C(CC)COc1ccc(Cl)c([N+](=O)[O-])c1 309395007 IGMNZNHOBIVUNN-UHFFFAOYSA-N 241.674 3.593 30 20 BHED Cc1ccccc1COc1cc(F)cc(C#N)c1 311104378 SSQWLULKDSFKSZ-UHFFFAOYSA-N 241.265 3.585 30 20 BHED CC[C@H](Nc1cccc(CC#N)c1)C(C)C 313479901 OBUIOIXRCFKBKV-AWEZNQCLSA-N 216.328 3.599 30 20 BHED Cc1ccc(C)c([C@@H](C)N(C)CC2(C#N)CC2)c1 347497353 YTJFSBJFUHJLTN-CQSZACIVSA-N 242.366 3.600 30 20 BHED CCC[C@@H](CC)[S@](=O)CCCC(C)(C)C#N 359446198 YRXBRUKPZIWGPE-MLGOLLRUSA-N 243.416 3.644 30 20 BHED C=CCSCCN[C@H](C)c1csc(C)c1 381357593 JLIOVRMEODOHSZ-LLVKDONJSA-N 241.425 3.626 30 20 BHED C=CCCCNC1(c2ccccc2)CCC1 390128537 ITSGXNXBKLGVEM-UHFFFAOYSA-N 215.340 3.622 30 20 BHED CC(C)c1[nH]nc(-c2cccs2)c1CCC#N 409438419 DGFSPMOMCUUGCM-UHFFFAOYSA-N 245.351 3.718 30 20 BHED N#CCCSCCc1ccccc1Cl 413011965 KLHVTJUCQONEBE-UHFFFAOYSA-N 225.744 3.529 30 20 BHED C=C(C)C(C)(C)C(=O)N1CC[C@H](C)C2(CCC2)C1 424769793 UDTBRSLEAJPXLN-ZDUSSCGKSA-N 249.398 3.627 30 20 BHED C=CCC1(C(=O)N2CC[C@@H]2C(C)C)CCCCC1 450633771 CKWWJDANKUMEQK-CQSZACIVSA-N 249.398 3.770 30 20 BHED C=CC[C@@H](CC)NC(=O)CCCCC(C)C 457792425 SCAVFSCQZWBTNN-CYBMUJFWSA-N 225.376 3.674 30 20 BHED C=CCCN1C[C@H](C)Oc2ccc(Cl)cc21 464777027 LTVDQCUQHIRHDL-JTQLQIEISA-N 237.730 3.503 30 20 BHED C=C[C@H](C)NC(=O)C[C@H](CC)c1ccc(C)cc1 465102382 LHYOBDYAWNJRRO-KBPBESRZSA-N 245.366 3.569 30 20 BHED C=CCN(CC[C@H](C)F)CC1CCCCC1 509658862 QDMMYKCOVUCNGT-ZDUSSCGKSA-N 227.367 3.803 30 20 BHED CC(C)C[C@@H](C)Cn1nc(C#N)c2ccccc21 539708898 GJEXGVKMEBGRBO-GFCCVEGCSA-N 241.338 3.590 30 20 BHED CC(C)(C)C#Cc1ccc2ncccc2c1 585143902 RYQNRYYKVSNUCR-UHFFFAOYSA-N 209.292 3.632 30 20 BHED N#Cc1ccccc1C(=O)/C=C\c1ccsc1 588618264 KCFOHRGPCYHDMW-WAYWQWQTSA-N 239.299 3.516 30 20 BHED C=CCCCN(CC=C)Cc1cccs1 605149692 SXJZQXDYKBDYMT-UHFFFAOYSA-N 221.369 3.702 30 20 BHED CC(C)(C#N)CCOc1cccc2c1CCCC2 611484259 MCEYWJFVTUYIPV-UHFFFAOYSA-N 243.350 3.884 30 20 BHED C=CC[C@H]1CCCN(C(=O)C2CCC=CCC2)C1 636172384 XUURRFPRFTUSLT-AWEZNQCLSA-N 247.382 3.548 30 20 BHED C=CCCC[C@@H](C)NC1CCC(F)(F)CC1 647295808 VOEDCZJBNJKTQB-LLVKDONJSA-N 231.330 3.899 30 20 BHED CC/C=C(/C)C(=O)O[C@@H](C)c1cccc(C#N)c1 729904170 AAJIXSBOWYRPBD-DSDFTUOUSA-N 243.306 3.519 30 20 BHED CCC/C=C/C(=O)O[C@H](C)c1cccc(C#N)c1 735210920 JBKRVIAQGZOKIZ-BIPYJSMBSA-N 243.306 3.519 30 20 BHED Cc1ccc(/C=C/C(=O)c2cncs2)c(C)c1 735793423 YNYVESCXLGIDDD-AATRIKPKSA-N 243.331 3.656 30 20 BHED C=CCCC(=O)OCc1ccc2ccccc2c1 740235336 DIEZOQVNIVDULB-UHFFFAOYSA-N 240.302 3.849 30 20 BHED C#CCCS[C@@H](CC)c1ccccc1 751786195 KZMZOOPZAYRKIM-ZDUSSCGKSA-N 204.338 3.894 30 20 BHED C#CCCCN1CC[C@H](c2ccccc2)[C@@H](C)C1 766902551 KKYKWRIWQFWKLJ-RDJZCZTQSA-N 241.378 3.525 30 20 BHED Cc1cc(C=NNc2ccccc2Cl)c(C)o1 767893351 OHMJPOHMKDNNAW-UHFFFAOYSA-N 248.713 3.996 30 20 BHED CC(=NN[C@H]1CCCC1(C)C)c1cccs1 782303793 ZRZHBPCATRINQN-LBPRGKRZSA-N 236.384 3.640 30 20 BHED Clc1ccc(/C=C/CON=C2CCC2)cc1 786741297 LBDYZVNMXDYMPO-NSCUHMNNSA-N 235.714 3.910 30 20 BHED CCOCCON=C1CCC[C@@H](CC(C)C)C1 794537177 VNZXUORJHOVEQT-ZDUSSCGKSA-N 241.375 3.632 30 20 BHED C(CC1CCCCCC1)=NOC1CCOCC1 799113625 SDPLFMWXUXDBLM-UHFFFAOYSA-N 239.359 3.528 30 20 BHED C=C(Cl)CN[C@@H](C)c1nccc2ccccc12 810226034 SRVVYMVQRVBBRJ-NSHDSACASA-N 246.741 3.638 30 20 BHED FC(F)c1ccc(C=NOCCC2CC2)cc1 814246166 URUDVYGNBLLCHH-UHFFFAOYSA-N 239.265 3.775 30 20 BHED CC1(C(=O)O[C@@H]2CCC[C@H](C#N)C2)CCCCC1 839059314 OSWBYCDZVXDZNK-QWHCGFSZSA-N 249.354 3.582 30 20 BHED Cc1ccc([C@H](C)NC[C@@H](C)CCC#N)s1 876964648 LXRKFCGELBNUHB-JQWIXIFHSA-N 236.384 3.647 30 20 BHED C=C1CCC(C(=O)Nc2c(C)cccc2C)CC1 887627949 FHQPVYNSKWENSP-UHFFFAOYSA-N 243.350 3.988 30 20 BHED CCCN(CCCCC1(C#N)CCC1)CC1CC1 929142649 FQQHVWCREFGEIW-UHFFFAOYSA-N 248.414 3.973 30 20 BHED CCCC[C@H](CC)CNc1cccc(CC#N)n1 1116636016 BOTOKJIHMJCLBL-ZDUSSCGKSA-N 245.370 3.776 30 20 BHED CC[C@@H](C#N)Sc1ncc(-c2ccccc2)o1 1116702994 CPAGMOUOSPYEIE-NSHDSACASA-N 244.319 3.736 30 20 BHED C=CCCCCCN(C)[C@@H]1CC[C@@H](SC)C1 1321326612 NGVJAIAPIZQYMJ-ZIAGYGMSSA-N 241.444 3.949 30 20 BHED CCC(CC)N(CC)c1cccc(F)c1C#N 1642742037 FZIMAOMSDCRYSR-UHFFFAOYSA-N 234.318 3.712 30 20 BHED C[C@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1 19950805 VJTCQBCJJOVWOO-FZMZJTMJSA-N 214.312 3.549 30 20 BHED C[C@@H](Nc1cccc(F)c1C#N)c1cccs1 35134974 VVJSJAAAIIPPSZ-SECBINFHSA-N 246.310 3.932 30 20 BHED CCCCCC[C@H](C)Nc1ccc(C#N)cn1 49217824 ILLSQPAXSOTWEH-LBPRGKRZSA-N 231.343 3.724 30 20 BHED N#CCSCc1cccc2ccccc12 58486122 GPMRKYGBPQUHND-UHFFFAOYSA-N 213.305 3.597 30 20 BHED C[C@H]1CC[C@H](Nc2ccc(C#N)c(Cl)c2)C1 70760707 GWLSMRKUPQATCR-ONGXEEELSA-N 234.730 3.812 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc(C)c(C)c1 119330792 XRGQOIQJIHJKCQ-STQMWFEESA-N 203.329 3.529 30 20 BHED N#Cc1ccccc1/C=C/C(=O)c1cccs1 120651656 KVNCFBPNYWEYBA-BQYQJAHWSA-N 239.299 3.516 30 20 BHED C#CCCCCC(=O)N([C@@H](C)CC)[C@H](C)CC 122463027 YCHDTGHPJIGCNI-OKILXGFUSA-N 237.387 3.606 30 20 BHED Cc1ccc2c(c1)C(=O)/C(=C\c1cccnc1)CC2 125411133 OXIUGWFADKSEPX-GDNBJRDFSA-N 249.313 3.603 30 20 BHED C=C(Cl)CN[C@H]1C[C@H](C)c2c(C)cccc21 129795215 BPVKNDANAQIBRB-GWCFXTLKSA-N 235.758 3.885 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCCC(C)(C)C1 132040027 CAKOMFQPDPWSDG-QWHCGFSZSA-N 209.377 3.900 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccccc1Cl 136203306 WWRIRBHENZTRFH-NXEZZACHSA-N 209.720 3.565 30 20 BHED N#Cc1cccc(OCCCCC(F)(F)F)c1 161723335 KPDCHLDCHWHKGR-UHFFFAOYSA-N 243.228 3.670 30 20 BHED C=CC[C@H](C)N[C@@H](CC)c1cccc(F)c1 164090060 QQXMFRSIGMPCLY-FZMZJTMJSA-N 221.319 3.831 30 20 BHED CCC[C@@H]1[C@@H](C)CCCN1CCCCC#N 173704905 SHCASLORTXTFAE-UONOGXRCSA-N 222.376 3.581 30 20 BHED C[C@H]1CCC[C@H](N(C)Cc2cc(C#N)cs2)C1 180045432 QLNCTUVLUHYLPQ-AAEUAGOBSA-N 248.395 3.630 30 20 BHED CC#CCCCC(=O)N(c1ccccc1)C(C)C 185424423 OXBGMZVJEJAMFD-UHFFFAOYSA-N 243.350 3.622 30 20 BHED C=C[C@](C)(CC)C(=O)N(CC)Cc1ccccc1 190026633 JPYWJGCMJARIFH-MRXNPFEDSA-N 245.366 3.637 30 20 BHED N#Cc1cccc(OC/C=C\c2ccccc2)c1 206212334 ODHLLJSFNXAICA-UITAMQMPSA-N 235.286 3.650 30 20 BHED C=CCCCC(=O)N(C)C[C@@H](C)c1ccccc1 267199204 QFPPMQMTASSPTA-CQSZACIVSA-N 245.366 3.605 30 20 BHED C=CCCCCC[C@@H](C)NC[C@H]1CCCS1 309582151 QQTYLACYFQPTAZ-ZIAGYGMSSA-N 241.444 3.997 30 20 BHED N#Cc1cccc(CN2CCCCCCCC2)c1 322011024 ZUCRPJOBKXLPLJ-UHFFFAOYSA-N 242.366 3.714 30 20 BHED C=C(C)CCc1noc(/C=C/c2ccc(C)o2)n1 351622210 HYVSYTLBQMVBFG-VQHVLOKHSA-N 244.294 3.650 30 20 BHED C=CCCC1(C(=O)N(C)c2ccccc2F)CC1 361654504 LEKVADBRNYUSMB-UHFFFAOYSA-N 247.313 3.535 30 20 BHED N#CCCSC[C@H]1CCCc2ccccc21 413010313 GAPMHXBFSDGSGC-CYBMUJFWSA-N 231.364 3.753 30 20 BHED CC[C@@H](CSCc1ccc(C#N)c(C)c1)OC 419643775 XDKLQDGOSYMIJK-AWEZNQCLSA-N 249.379 3.525 30 20 BHED C=CCC1(CN[C@H]2CCC[C@H](C#N)C2)CCCC1 449603317 GCXZGJDDJVKSQU-GJZGRUSLSA-N 246.398 3.795 30 20 BHED CC#CCS[C@@H]1CCCc2ccccc21 463257154 OTMWSMMEYYEKJY-CQSZACIVSA-N 216.349 3.821 30 20 BHED CC#CCSCc1ccccc1OC(F)F 464069719 KWAFFYHJYTWQFP-UHFFFAOYSA-N 242.290 3.545 30 20 BHED CC#CCCCC(=O)Nc1cccc(C(C)C)c1 464572408 REKWORWSZJKXJS-UHFFFAOYSA-N 243.350 3.942 30 20 BHED C=CC[C@H](CC)NC(=O)[C@H]1CCCC[C@@H]1CC 466532458 SUZLWLIPLLYCSZ-IHRRRGAJSA-N 237.387 3.674 30 20 BHED C=CCCC1(C(=O)NC[C@@H]2CCC[C@@H](C)C2)CC1 475101298 CGMJNCPUFKAYQK-ZIAGYGMSSA-N 249.398 3.675 30 20 BHED C=CCN(CC=C)C(=O)C[C@H]1CCCCC1(C)C 502339954 JTTAXXLUPBLEAN-CQSZACIVSA-N 249.398 3.794 30 20 BHED CC(C)(C)CCCC(=O)Nc1ccc(C#N)cc1 504467600 NTCUIKVRUHIWAC-UHFFFAOYSA-N 244.338 3.713 30 20 BHED C[C@@H]1CCN(CC2(C#N)CCC2)[C@@H]2CCCC[C@@H]12 515771667 HVXSZJKSNNZSIK-QLFBSQMISA-N 246.398 3.581 30 20 BHED C=CCCC[C@@H](C)NC(=O)C(C)(C)CC(C)C 538335606 LXWGKXHAEDNOFM-CYBMUJFWSA-N 239.403 3.920 30 20 BHED Cc1ccc(/C=C\C(=O)c2cncc(C)c2)cc1 588476217 IERYAEFWKAGZJD-FPLPWBNLSA-N 237.302 3.595 30 20 BHED Cc1csc(-c2ccccc2C2(C#N)CC2)n1 594629351 BJGCELALRKWXSX-UHFFFAOYSA-N 240.331 3.674 30 20 BHED CC[C@@H](C)CCN[C@H](C)c1ccc(C#N)cc1F 595074668 SSLAXIUYCJMPPY-VXGBXAGGSA-N 248.345 3.784 30 20 BHED C[C@@H](CCC#N)N1CC[C@H](C2CCCCC2)C1 595738801 NVLLAKFSAHZYSW-ZFWWWQNUSA-N 234.387 3.581 30 20 BHED CCc1oc2ccccc2c1C=NNCC(C)C 730552861 PQDWLZRZZWRYLT-UHFFFAOYSA-N 244.338 3.575 30 20 BHED C=C(Cl)CN1CCCC2(CCCCC2)C1 732412735 VRAPMOLGTGTWHI-UHFFFAOYSA-N 227.779 3.785 30 20 BHED C#Cc1cccc(N[C@@H]2CS[C@@H](C(C)C)C2)c1 754151254 XBRSWAHGYDHPNH-LSDHHAIUSA-N 245.391 3.610 30 20 BHED CC1=CCC[C@@H](C)[C@@H]1C=NOC1CCCC1 774597268 STUWDOLGLBXBIW-TZMCWYRMSA-N 221.344 3.924 30 20 BHED C=C[C@](C)(CC)C(=O)Oc1cccc(Cl)c1 786609180 LYGRYFMDKNKZPE-CYBMUJFWSA-N 238.714 3.848 30 20 BHED C=CCCCCCC(C)=NOCCSC 789053726 CGLVISWMCBLMGQ-UHFFFAOYSA-N 229.389 3.878 30 20 BHED C#C[C@@H](CCC)NC(=O)[C@@H](C)CCCCCC 791746620 NGKMHTOMWNURPA-KBPBESRZSA-N 237.387 3.511 30 20 BHED C=CCN(C(=O)[C@@H]1CCCC[C@H]1CC)C(C)C 793417116 JOAKRAKQMWEIQK-ZIAGYGMSSA-N 237.387 3.626 30 20 BHED CCCCCCCCN1CC[C@H](OC)C[C@@H]1C 799343158 BGHSWZSITKQBIJ-GJZGRUSLSA-N 241.419 3.846 30 20 BHED CC[C@H]1CCC1=NNc1ccccc1Cl 807944316 WQLVPEBJETXPJO-VIFPVBQESA-N 222.719 3.928 30 20 BHED Cl/C=C/CON=C1CCCCCCC1 811668318 DSPFFAFKVNVGRU-RMKNXTFCSA-N 215.724 3.856 30 20 BHED CC(CC1CCCC1)=NOC/C=C/Cl 811670187 ZBEMTWREMWZZCP-YQHBQRSUSA-N 215.724 3.712 30 20 BHED CCc1cccc(C)c1NN=C1CC2(CC2)C1 814923014 HSBHZTIEMUGFHC-UHFFFAOYSA-N 228.339 3.899 30 20 BHED C[C@@H](NN=C1CCCC12CCCC2)C(F)(F)F 834999575 WKVUPAOJQCEOHC-SECBINFHSA-N 248.292 3.627 30 20 BHED CC(C)c1ccc(NN=C[C@H]2C[C@H]2C)cc1 835018373 MRACLPYPTHAYIJ-DGCLKSJQSA-N 216.328 3.864 30 20 BHED C=C[C@](C)(CC)C(=O)OC[C@@H](CC)CC(F)F 849761176 CIETUUQMKURKGF-GXFFZTMASA-N 248.313 3.813 30 20 BHED C=CCCCCOC(=O)CC1(C#N)CCCCC1 849906566 DECRZDJZDBZILJ-UHFFFAOYSA-N 249.354 3.750 30 20 BHED C[C@H]1CCCCN1N=C1CCC[C@@H]1C(C)(C)C#N 853381509 DYHCIMNOMKYSSS-STQMWFEESA-N 247.386 3.567 30 20 BHED C[C@@H]1CCCC(=NNc2ccc(Cl)cn2)C1 853438349 YDQYWBLVDHQCDX-SECBINFHSA-N 237.734 3.713 30 20 BHED CCCn1nc(C)c(-c2ccc(C#N)s2)c1C 906166139 YRLYGNVFFOUQIC-UHFFFAOYSA-N 245.351 3.510 30 20 BHED C=CCN(Cc1cccc(OC(C)C)c1)C(C)C 917069885 ZETUXWMJMXNFOU-UHFFFAOYSA-N 247.382 3.870 30 20 BHED C=C1CCN(CCCCC2(C#N)CCC2)CC1 929604417 PPIQDGHWWWQXGB-UHFFFAOYSA-N 232.371 3.503 30 20 BHED N#Cc1ccccc1NCc1ccc(Cl)s1 20051365 CXHXJDOEXOZNAL-UHFFFAOYSA-N 248.738 3.885 30 20 BHED Cc1cccc(C)c1NCCC(C)(C)C#N 83638704 HBIFSIQQIZDEAM-UHFFFAOYSA-N 216.328 3.655 30 20 BHED C[C@@H]1Cc2ccccc2N(CCC(C)(C)C#N)C1 87595630 LWTBXESBHURABM-CYBMUJFWSA-N 242.366 3.625 30 20 BHED CC(C)Nc1ccccc1SC[C@@H](C)C#N 88533388 AMFAPDUFNCVTSF-NSHDSACASA-N 234.368 3.759 30 20 BHED N#CCC[C@@H](NC1CCCC1)c1ccccc1 90665847 COTWUGSBZYWTFK-OAHLLOKOSA-N 228.339 3.564 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc(F)cc1Cl 119326067 BSWCQIWZTHSCCQ-RKDXNWHRSA-N 227.710 3.704 30 20 BHED C#CCCCCC(=O)N[C@@H]1CCC(C)(C)C[C@H]1C 119956191 JWJSOILQBTWODD-ZIAGYGMSSA-N 249.398 3.511 30 20 BHED CCCCCCC[C@@H](C)NCc1ccon1 122220907 ZJKNXRVGFJOESN-GFCCVEGCSA-N 224.348 3.513 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCCCC1(C)C 126863080 QNDCCRWQQAGTEG-QWHCGFSZSA-N 209.377 3.900 30 20 BHED C=CCCS[C@H](C)C(=O)Nc1cccc(C)c1 151961323 ONDUWHRLDXZMEP-GFCCVEGCSA-N 249.379 3.631 30 20 BHED C=CCCN[C@H](CC)c1ccc(C)cc1 162157120 KFTLHEHYZRHNTK-CQSZACIVSA-N 203.329 3.612 30 20 BHED Cc1cccc2c1N(CCCC(C)(C)C#N)CC2 174821861 VGAIBCCKOJYECY-UHFFFAOYSA-N 242.366 3.688 30 20 BHED C=CCCCC(=O)Nc1ccc(Cl)cc1F 177459591 SUNJNSYFHJRBQL-UHFFFAOYSA-N 241.693 3.774 30 20 BHED C[C@@H](CC1CCCCC1)CN1CCC(C#N)CC1 183309715 AXTPHZUGMCLHJZ-AWEZNQCLSA-N 248.414 3.828 30 20 BHED C#CCC(C)(C)C(=O)Nc1ccc(C)cc1Cl 184872028 RWRVEGOJTFMOSA-UHFFFAOYSA-N 249.741 3.636 30 20 BHED Cc1cc(C#N)ccc1CSCC1CC1 186084675 RTCDBUIKNXNDNZ-UHFFFAOYSA-N 217.337 3.510 30 20 BHED C[C@@H](Nc1cc(F)cc(C#N)c1)C1CCCC1 227619302 LYXDAPAGXHWBRQ-SNVBAGLBSA-N 232.302 3.688 30 20 BHED CC(C)(C#N)CCCCN1CCCCCCC1 232527845 PJKJLFLKNZPJFZ-UHFFFAOYSA-N 236.403 3.973 30 20 BHED Cc1ccc(CSc2ccc(C#N)cn2)cc1 352940638 XXTOYOOQOYTURE-UHFFFAOYSA-N 240.331 3.554 30 20 BHED CC[C@@H](NCCC1(C)CC1)c1ccc(C#N)cc1 358988736 NIYREBDYSUFZIH-OAHLLOKOSA-N 242.366 3.789 30 20 BHED CCN(Cc1ccc(C#N)cc1F)CC(C)(C)C 385955236 NUZMMLQJSUPUID-UHFFFAOYSA-N 248.345 3.565 30 20 BHED C=CCC[C@@H](CC)NC[C@@H](C)C(F)(F)F 393623478 OAQXECVAGRMGOO-NXEZZACHSA-N 223.282 3.519 30 20 BHED C=CCCC[C@H](C)Nc1cc(C(C)C)ncn1 398194127 BWMNASQDRPRXTN-LBPRGKRZSA-N 233.359 3.757 30 20 BHED C[C@H](N[C@H](C)CCC#N)[C@@H](C)C1CCCCC1 411512036 ADXOTZJJCRRNGV-MCIONIFRSA-N 236.403 3.873 30 20 BHED N#CCCS[C@H]1CCc2c(Cl)cccc21 413017129 XXDAEMWDGNYWMW-LBPRGKRZSA-N 237.755 3.974 30 20 BHED CC(C)(CCC#N)CNC[C@H]1CCC[C@@H]1C1CC1 414479283 HBZBVKPSGCLFFO-HUUCEWRRSA-N 248.414 3.732 30 20 BHED CCC1(C)CCC(N[C@@H]2CC[C@H](C#N)C2)CC1 424330426 QOBIMDZMYJPZDC-FGZQJIAISA-N 234.387 3.627 30 20 BHED C=CCN(C)Cc1cc2cc(C)c(C)cc2o1 428396957 DZLGZPGTJYSVJG-UHFFFAOYSA-N 229.323 3.667 30 20 BHED C=CCCC1(C(=O)N2CCC[C@@H](CC)CC2)CC1 476058698 DXEFYOHVXDLHRK-CQSZACIVSA-N 249.398 3.772 30 20 BHED C=CCCCN(C#N)c1cccc(Cl)c1 478737342 LOULAYKXBINMPX-UHFFFAOYSA-N 220.703 3.594 30 20 BHED CCC(CC)CN(CCC#N)C[C@@H](C)CC 481116756 WPDHNARSXMQDCG-ZDUSSCGKSA-N 224.392 3.684 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)CC1CCCC1 488857949 COCBDMPPXQLMBL-DZGCQCFKSA-N 249.398 3.770 30 20 BHED C=CCN(C)CCCc1cccc2ccccc12 494710753 QOFGMWYKSIJWPO-UHFFFAOYSA-N 239.362 3.890 30 20 BHED C=C(C)CSc1c(F)cc(F)cc1F 515592625 XCOSMSDTZQSLPU-UHFFFAOYSA-N 218.243 3.772 30 20 BHED Cc1c(Cl)cnc(NC2CCCCC2)c1C#N 543135215 DWPVQEDSCXCZIM-UHFFFAOYSA-N 249.745 3.660 30 20 BHED C=CCCCC[C@H](C)NCc1ncc(C)s1 573175189 XIDDSAFXHBAIBH-NSHDSACASA-N 238.400 3.676 30 20 BHED C=CCC(C)(C)CNC(=O)C(C)(C)CCC 650054635 JJMJDUAHROAEOT-UHFFFAOYSA-N 225.376 3.531 30 20 BHED C=CCCOC(=O)c1cc2c(C)cc(C)cc2[nH]1 729072675 UOSGKHJCFPNBGJ-UHFFFAOYSA-N 243.306 3.518 30 20 BHED CC(C)CON=C(c1ccccc1)C(F)(F)F 751955170 HTNATWBPKQQGRQ-UHFFFAOYSA-N 245.244 3.626 30 20 BHED C[C@@H](CC=NNc1ccccn1)c1ccccc1 755520278 VLKFBGRJWUGDIJ-ZDUSSCGKSA-N 239.322 3.673 30 20 BHED C#CCCNc1cccc(COC(C)(C)C)c1C 760302573 AICMKSYALNKBJF-UHFFFAOYSA-N 245.366 3.745 30 20 BHED FC(F)C1CC(=NNc2ccc(Cl)cc2)C1 766009655 MRKGVMRRPJVSFY-UHFFFAOYSA-N 244.672 3.783 30 20 BHED CCCC(CCC)=NNc1nccnc1C(C)C 773085356 HPZZDNYHFRBHAE-UHFFFAOYSA-N 248.374 3.968 30 20 BHED C#CCCCN(CC)C[C@H](CC)c1ccccc1 775895276 KYPVBOIWXBDNAG-INIZCTEOSA-N 243.394 3.916 30 20 BHED Cc1cccnc1NN=C[C@@H]1CCCC[C@@H]1C 790185630 IFWIEXHGOFTEQA-AAEUAGOBSA-N 231.343 3.614 30 20 BHED CON=C1CCCc2[nH]c3ccc(Cl)cc3c21 790291724 ZPZQZTMYRSYTSP-UHFFFAOYSA-N 248.713 3.508 30 20 BHED Clc1sccc1C=NNCC1CCCC1 808005922 LLPZNSLGPDLZSC-UHFFFAOYSA-N 242.775 3.515 30 20 BHED CC(CCc1ccsc1)=NOC/C=C\Cl 811671547 HFIUDQCUMKQZKW-ZPENFKPTSA-N 243.759 3.826 30 20 BHED CC(=NOCCC1CC1)c1coc2ccccc12 814246742 XBDGUZWXJXHKHS-UHFFFAOYSA-N 243.306 3.974 30 20 BHED FC1(F)CCC(=NOCc2ccccc2)CC1 842525427 OZYOWEDWCQNZDQ-UHFFFAOYSA-N 239.265 3.769 30 20 BHED CCc1nc(S[C@@H](C)CCC#N)sc1C 845325828 FCVPGVNIQXVDIA-QMMMGPOBSA-N 240.397 3.798 30 20 BHED CCN(C)c1ccc(CSCCCC#N)cc1 1320849623 UOFWFKFNRMISDO-UHFFFAOYSA-N 248.395 3.680 30 20 BHED COCc1ccc(-c2ccccc2C#N)cc1F 1330191370 KOZCLUWAPSASKU-UHFFFAOYSA-N 241.265 3.511 30 20 BHED Cc1cc(NCCCCC#N)nc2ccccc12 1338562778 SVCJGBGQADNOEB-UHFFFAOYSA-N 239.322 3.649 30 20 BHED CCC[C@H](C)Nc1nc(C(C)(C)C)ccc1C#N 1639299572 AHQBNWOLILTNIN-NSHDSACASA-N 245.370 3.851 30 20 BHED C[C@H](Nc1ccc(F)cc1)c1cccc(C#N)c1 37210691 CSVUFFGZIBXPMJ-NSHDSACASA-N 240.281 3.870 30 20 BHED C=C(C)CCOc1ccc([N+](=O)[O-])cc1Cl 39395375 NRSKQMBRPYPDRE-UHFFFAOYSA-N 241.674 3.593 30 20 BHED CCc1ccc(CN(CCCC#N)C2CC2)cc1 45944358 WQHICKWCPKGHAW-UHFFFAOYSA-N 242.366 3.517 30 20 BHED C=C(Cl)CNCC[C@H](C)c1ccccc1 61910558 WAPZTZXFTICBSK-NSHDSACASA-N 223.747 3.522 30 20 BHED CCCCCCCC(=O)Oc1ccc(C#N)cc1 81218957 XRSCWCVKLXEFJB-UHFFFAOYSA-N 245.322 3.824 30 20 BHED Cc1cc(F)cc(NCc2cccc(C#N)c2)c1 91509481 LDNDOJWHYQJNRP-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=C(C)COc1ccc(Oc2nccs2)cc1 92896914 CSFSGLWWJRUBFE-UHFFFAOYSA-N 247.319 3.890 30 20 BHED CCN(CCCCC#N)[C@H]1CCCC[C@@H]1C 120092707 DCTLLRKQFDRMRS-KBPBESRZSA-N 222.376 3.581 30 20 BHED CCCCCCCCN[C@@H]1CCO[C@@H](CC)C1 160841413 PJKULJNHLFTDMS-CABCVRRESA-N 241.419 3.894 30 20 BHED C=CC[C@H](C)NCC[C@H](C)c1ccccc1 169107189 OZFMTLKVFHXCSS-KBPBESRZSA-N 217.356 3.734 30 20 BHED CC(C)c1ccc([C@H](C)NCCCC#N)cc1 180938999 LFLSZGOCZVEHOP-ZDUSSCGKSA-N 230.355 3.764 30 20 BHED CC[C@@H](N[C@@H]1CC=CCC1)c1ccc(C#N)cc1 278719829 MDGGBQXJHXSEAU-HZPDHXFCSA-N 240.350 3.708 30 20 BHED C=CCCCCN[C@@H](C)c1cc(F)ccc1F 310351353 GYTWJRBQEWIINR-NSHDSACASA-N 239.309 3.972 30 20 BHED C=C(CC)CNc1ccc(C(=O)CC)cc1 313476878 BJNYEPTZEPRQKM-UHFFFAOYSA-N 217.312 3.657 30 20 BHED C=CCCC(=O)N[C@H](CC)c1ccc(C)cc1 338624897 IBDWNNLCCSIDSH-CQSZACIVSA-N 231.339 3.529 30 20 BHED C=C(Br)CN(C(C)C)C1CCCC1 388770382 GMRSQYVXBWCHPS-UHFFFAOYSA-N 246.192 3.548 30 20 BHED C=C(C)CCN[C@@H](C)c1cccc(F)c1F 390503964 WCNJLYADXIFYNV-JTQLQIEISA-N 225.282 3.582 30 20 BHED N#Cc1cccc(CSCCC2CC2)c1 437921580 JZJCIXLPCGYURB-UHFFFAOYSA-N 217.337 3.592 30 20 BHED C=CC(C)(C)CN[C@@H](CC)c1ccc(C#N)cc1 453315010 ZEBYSYIRHYGPOP-HNNXBMFYSA-N 242.366 3.811 30 20 BHED C=CCC1(CNC(=O)[C@@H](C)C2CCC2)CCCC1 457871957 KCJOUXHUANQAOV-ZDUSSCGKSA-N 249.398 3.675 30 20 BHED C=C[C@H](C)NC(=O)Nc1ccc(C(C)C)cc1 465174418 YUBYDMRFPQNSEH-NSHDSACASA-N 232.327 3.506 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[C@H](CC)C1 468029654 MECNCSYHMSHSCW-GZBFAFLISA-N 237.387 3.674 30 20 BHED C=C(C)CN(C)CCc1ccc2ccccc2c1 481292092 YIKXVFIJMMHQDF-UHFFFAOYSA-N 239.362 3.890 30 20 BHED N#CCN(CCCC1CCCC1)C1CCCC1 483246772 VGIUCYRNUFKEMI-UHFFFAOYSA-N 234.387 3.725 30 20 BHED CCC[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 531815962 XYKSCVIUYGCMJG-CQSZACIVSA-N 242.366 3.570 30 20 BHED N#CC1(CCN2C[C@@H]3CCCC[C@@H]32)CCCCC1 595566534 IBSXZBSBYWBSAH-GJZGRUSLSA-N 246.398 3.725 30 20 BHED CCC1(CC)CCCN([C@H]2CC[C@@H](C#N)C2)C1 595753902 ZURHQAXZVWCCMA-KGLIPLIRSA-N 234.387 3.581 30 20 BHED CC1=CCC[C@H](C)[C@H]1CN1CCC[C@@H](CC#N)C1 597176997 LFNHVOWVCNAMPK-JYJNAYRXSA-N 246.398 3.604 30 20 BHED C=C(CC)CSCc1noc2c1CCCC2 611339458 DWNVXZRWMGBREH-UHFFFAOYSA-N 237.368 3.753 30 20 BHED C=C[C@@H](C)N[C@@H](C)CCc1c[nH]c2ccccc12 631589065 AKIGXKSXUBJKKH-OLZOCXBDSA-N 242.366 3.653 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1cnccc1C 678425575 BLGNRLXIXMTPMX-IACUBPJLSA-N 232.371 3.641 30 20 BHED C=C(C)CN(CC(C)C)c1ccc(OC)cc1 728918467 YSPRLYYOFYTVAM-UHFFFAOYSA-N 233.355 3.734 30 20 BHED CCCCCC[C@H]1CCCC1=NNCC(F)F 740617955 ZSNRUXRXGHCJIF-NSHDSACASA-N 246.345 3.968 30 20 BHED CC#CCCOC(=O)CC[C@@H](C)c1ccccc1 760287400 JUMAPPDWZSODOP-CQSZACIVSA-N 244.334 3.527 30 20 BHED Cc1cc(CN(CCC#N)CC(C)C)ccc1F 768153650 HWZGKXZVBGTUBN-UHFFFAOYSA-N 248.345 3.506 30 20 BHED C=C(Cl)CN(CC)c1ccc2[nH]ccc2c1 788282755 SKWWNYWRHASYNN-UHFFFAOYSA-N 234.730 3.747 30 20 BHED CCCCCCCCS(=O)(=O)C[C@@H](C)CC 790174060 NIGBKGVXFHDPHT-ZDUSSCGKSA-N 248.432 3.808 30 20 BHED C[C@@H](NN=C1CCC[C@H]2C[C@@H]12)c1ccccc1 800811568 ZWHHIYAXYYDDHQ-KWCYVHTRSA-N 228.339 3.513 30 20 BHED C#Cc1ccc(CNc2cc(F)ccc2C)cc1 809598609 QDETUFRZDWJMCO-UHFFFAOYSA-N 239.293 3.728 30 20 BHED CC(CCc1ccc(F)cc1)=NOCCC1CC1 814246470 NZUDKLOODNDPEK-UHFFFAOYSA-N 249.329 3.951 30 20 BHED N#Cc1ccc(NN=C2CC[C@@H]2C2CCC2)cc1 814803099 JRAYTMBYYAHITK-CQSZACIVSA-N 239.322 3.536 30 20 BHED CSCC1CCC(=NOCCC2CC2)CC1 834982251 SWLNKUDHXGJAHC-UHFFFAOYSA-N 241.400 3.712 30 20 BHED C=CCN(C(=O)C(CCC)CCC)C(C)C 839245685 ULILXZGEWRKFNV-UHFFFAOYSA-N 225.376 3.626 30 20 BHED C#CCCCCCC(=O)NC1(CC=C)CCCC1 855927355 JVSJKSFILYMOPT-UHFFFAOYSA-N 247.382 3.575 30 20 BHED C#CCCNc1cccc(SC(F)(F)F)c1 863365939 UDASMSHIIHSRSV-UHFFFAOYSA-N 245.269 3.734 30 20 BHED CC(C)c1ccc(NC[C@H](C)CCC#N)cn1 896611882 FZYIMVMVDCGWFI-GFCCVEGCSA-N 231.343 3.557 30 20 BHED C/C=C/C(=O)NC[C@H](C)CCCCCCC 917872333 IDWMGRUYFSTERB-ZQNFCJTASA-N 225.376 3.675 30 20 BHED CCCCCCCc1nnc(C2CCC2)o1 1117233756 XWIWOFRHNZGFHT-UHFFFAOYSA-N 222.332 3.850 30 20 BHED C=CCN1C[C@@H]2CCCC[C@@]21c1ccccc1 1319808244 LDTOBOHBGBQQHJ-JKSUJKDBSA-N 227.351 3.574 30 20 BHED C=CCN(Cc1ccccc1)C(=O)CCCCC 45935096 YGZFLDICZZVHNA-UHFFFAOYSA-N 245.366 3.782 30 20 BHED Cc1cc(C)c(C)c(OCC2(CC#N)CC2)c1 88272101 WEIZJFCECGIYNG-UHFFFAOYSA-N 229.323 3.685 30 20 BHED CCCCCCCC(=O)Nc1ccccc1OC 95740371 VDPIIMNLMUVHAW-UHFFFAOYSA-N 249.354 3.994 30 20 BHED C=CCCCC[C@@H](C)NCc1ccsc1 131926675 ICLKKYQLTMSOPJ-GFCCVEGCSA-N 223.385 3.973 30 20 BHED C=C(CNCCCC(C)C)c1ccccc1 148022647 RPCYXOUWFXPJAZ-UHFFFAOYSA-N 217.356 3.726 30 20 BHED C=C(C)CCN[C@@H](C)c1cccc(C)c1 168055927 YJOQZUYUDGGTLB-ZDUSSCGKSA-N 203.329 3.612 30 20 BHED CCCCCCC(=O)Nc1ccc(F)c(C#N)c1 169087928 TZOYRCYFPZJUJR-UHFFFAOYSA-N 248.301 3.606 30 20 BHED CCC(C)(C)C(=O)O[C@H](C)c1ccc(C#N)cc1 175802253 VGVWAMNATRRIRJ-LLVKDONJSA-N 245.322 3.599 30 20 BHED C=CCCCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 177491649 AZHJTCILQDHFLR-LBPRGKRZSA-N 249.329 3.701 30 20 BHED C[C@@H](Oc1ccc(C#N)cc1)c1cccc(C#N)c1 190087399 CMULBRYUZFRTIB-GFCCVEGCSA-N 248.285 3.570 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cnn(C(C)(C)C)c1C 191368300 CUJYJEXSNFRAKZ-NWDGAFQWSA-N 249.402 3.562 30 20 BHED C=C(Cl)CN1c2ccccc2CC[C@H]1C 216634935 QPKRQXXXBGWMJF-LLVKDONJSA-N 221.731 3.580 30 20 BHED C#CCCCCN[C@@H]1CC[C@@H](C)C[C@H]1CC 252729043 DYBOBFUDELNQCZ-RBSFLKMASA-N 221.388 3.594 30 20 BHED C=CCCCCCSc1nccs1 308329380 JLPYGWUSVAONSS-UHFFFAOYSA-N 213.371 3.982 30 20 BHED C=CC[C@H](C)Nc1nc2cc(C)ccc2o1 309811596 ZEZPPQBLYIFDHM-JTQLQIEISA-N 216.284 3.513 30 20 BHED C=CCC[C@@H](CC)N[C@H](C)Cc1ccco1 310042267 ZIMZRCWCSANLEY-CHWSQXEVSA-N 221.344 3.545 30 20 BHED C[C@H]1CCN(c2ccc(C#N)cc2)CC12CCC2 356801073 VXJCQDCZXGIVLW-ZDUSSCGKSA-N 240.350 3.575 30 20 BHED C=CCCCCN[C@@H](C)c1ccc(F)cc1O 379769478 OPFMWRRGEPSCJU-NSHDSACASA-N 237.318 3.538 30 20 BHED CC1(C#N)CCN([C@H]2C=CCCCCC2)CC1 379792952 CCHOVYCOMKFBDU-AWEZNQCLSA-N 232.371 3.501 30 20 BHED C=C(Cl)CN[C@@H](CC)c1cccc(C)c1 379831375 YCKNXBRUSHMJHV-ZDUSSCGKSA-N 223.747 3.788 30 20 BHED C[C@H](c1ccccc1)N(CCC#N)C1CCCC1 425462491 WMHCEJNBIUKHST-CQSZACIVSA-N 242.366 3.906 30 20 BHED C=C(C)CN1CC[C@H](c2ccc(CC)cc2)C1 433061905 MHHGQVBDWCVROZ-INIZCTEOSA-N 229.367 3.614 30 20 BHED C=CCC[C@@H](C)N[C@H]1C[C@H](c2ccccc2)C1 436295964 SSJLQDQESSZCAB-FVQBIDKESA-N 229.367 3.877 30 20 BHED C=CCCCC[C@H](C)NCC1(SC)CC1 449291640 NBPDRAGEYXUUPX-LBPRGKRZSA-N 227.417 3.607 30 20 BHED C=CCCCC[C@@H](C)N[C@H](CC)C(F)F 449364188 RIKQQXZOUGYQBM-GHMZBOCLSA-N 219.319 3.755 30 20 BHED C=CCCCS[C@H](CC)C(=O)OC(C)(C)C 479526896 YAHVBIARYJPPJF-LLVKDONJSA-N 244.400 3.806 30 20 BHED C=C(CC)CN1CCSC[C@@H]1c1ccccc1 536891844 YKLLRBDHONDJRO-OAHLLOKOSA-N 247.407 3.743 30 20 BHED C=CCCC[C@@H](C)NC(=O)C[C@H](C)CC(C)C 539437509 ZJMGAASAXHPDPP-ZIAGYGMSSA-N 239.403 3.920 30 20 BHED Cc1cc(C)cc([C@@H](C)NCCC(C)(C)C#N)c1 540715714 ZRNQEMVRIQQHKH-CQSZACIVSA-N 244.382 3.894 30 20 BHED C=CCOc1ccccc1CN[C@H]1CC[C@H]1CC 554361132 RDDGRSSCEXDZBU-HIFRSBDPSA-N 245.366 3.530 30 20 BHED C=CCC(C)(C)c1noc(C(C2CC2)C2CC2)n1 556361323 HDEQHSLPWMFOFL-UHFFFAOYSA-N 246.354 3.827 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C\c1cccs1 588385656 BXCBJKIZFUNGKU-PRDAAYKISA-N 249.379 3.622 30 20 BHED Cc1ccc(NC[C@@H](C)CCC#N)cc1C 602495473 VMCAJLGZYRMTOP-NSHDSACASA-N 216.328 3.655 30 20 BHED C=CCCCN(C)c1cc(C)ccc1C 605150132 WSONIFVUTHXVIF-UHFFFAOYSA-N 203.329 3.706 30 20 BHED C=CCCCN(C1CC1)[C@@H](C)[C@H](C)CC 605150584 BKDYWMMISZBWHO-OLZOCXBDSA-N 209.377 3.852 30 20 BHED C=CC[C@H](CC)NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 684939585 RNNXAZUDRQFWLR-BFHYXJOUSA-N 249.398 3.696 30 20 BHED C#C[C@@H](NC(=O)CCCCCCC)C(C)(C)C 702250099 DZSYMOCUTUEFSH-CYBMUJFWSA-N 237.387 3.511 30 20 BHED C#Cc1cccc(N(CC)C(=O)CCCCC)c1 728481186 NSPYMXXVWAYGFO-UHFFFAOYSA-N 243.350 3.601 30 20 BHED CC(=NNc1cccc([N+](=O)[O-])c1)C1CCCC1 733077489 AEWJSZWDUVWNLM-UHFFFAOYSA-N 247.298 3.573 30 20 BHED Cc1ccc(/C=C2/Oc3ccccc3C2=O)s1 742435435 AXDHEQGZUAANSK-MDWZMJQESA-N 242.299 3.673 30 20 BHED C=C(C)CCOC(=O)CCCc1cccs1 744305226 UFQQCRFFQXXBGQ-UHFFFAOYSA-N 238.352 3.580 30 20 BHED C#C[C@@H](CC)NC(=O)[C@H](CCC)CC1CCCC1 754683384 WKTMRFUHJHKMHT-CABCVRRESA-N 249.398 3.511 30 20 BHED C#CCCCCN[C@H](c1ccc(C)o1)C1CCC1 756758032 QDDVUHISMYNJLN-INIZCTEOSA-N 245.366 3.822 30 20 BHED CC(C)Oc1ccc(C=NOC2CCCC2)cc1 774608493 OQFVEYWEKIUAGH-UHFFFAOYSA-N 247.338 3.767 30 20 BHED C[C@@H]1CCCC(=NNC2CCCCC2)[C@@H]1C 786042905 COISNNFUBUXMLM-VXGBXAGGSA-N 222.376 3.721 30 20 BHED C=CCCCCC[C@H](C)NC[C@H]1CCCCO1 793522447 BOFDKGWNCBFVPD-LSDHHAIUSA-N 239.403 3.670 30 20 BHED CCc1cccc(C)c1NN=C(C)COC(C)C 799888430 OPBBJHYLYVGRCX-UHFFFAOYSA-N 248.370 3.770 30 20 BHED C=CCCCCCCNC(=O)C(C)=C(C)C 805219528 OQCUIXKYMPPFMY-UHFFFAOYSA-N 223.360 3.595 30 20 BHED CC(C)C(Cc1ccc(F)cc1)=NOC1CCC1 812235022 ICNJJSMYBLTHQD-UHFFFAOYSA-N 249.329 3.949 30 20 BHED C=C[C@@H](OC(=O)[C@@H]1CC12CCC2)c1ccccc1 851451086 CAPAAWNOALTRTI-UONOGXRCSA-N 242.318 3.647 30 20 BHED CC(C)SCSc1ccc(C#N)cc1F 863307727 DCQCCPOJUASPPP-UHFFFAOYSA-N 241.356 3.889 30 20 BHED N#CC1(CSCCCC2CC2)CCC1 865283616 RUMARGAUWAWWCG-UHFFFAOYSA-N 209.358 3.604 30 20 BHED C=CCCC[C@@H](C)OC(=O)C1(C)CC(F)(F)C1 873441460 WYERKRUTTJDQKE-SNVBAGLBSA-N 246.297 3.710 30 20 BHED CC(=NNc1ccc(F)cc1)c1ccccc1C 916267983 BRZBFRFHEBWUDG-UHFFFAOYSA-N 242.297 3.970 30 20 BHED C/C(=C\Cl)CSCC1(C#N)CCCC1 917662279 IWDKKSRYWGDHRR-UXBLZVDNSA-N 229.776 3.946 30 20 BHED CC(C)c1cccc(CN2CCC[C@H](C#N)C2)c1 1175999591 BGAWCWHQTIRUNS-OAHLLOKOSA-N 242.366 3.546 30 20 BHED C=C(Cl)CN1CC2(CCC2)c2ccccc21 1193355727 XYYXABJBADAUSR-UHFFFAOYSA-N 233.742 3.681 30 20 BHED CC1CCC(N(C[C@H](C)CCC#N)C2CC2)CC1 1308631165 RXJITIGNAHEJOS-SHARSMKWSA-N 248.414 3.969 30 20 BHED C=CCOc1ccc(CNC(CC)CC)cc1 21013989 SVFIQMUJMWHTJL-UHFFFAOYSA-N 233.355 3.530 30 20 BHED CCCCCC[C@H](C)Nc1ncccc1C#N 49217853 GTOKEHQRKFEJLW-LBPRGKRZSA-N 231.343 3.724 30 20 BHED C=C(Br)CN(CC)C1CCCCC1 52441388 KCBFYEQUHVMPGP-UHFFFAOYSA-N 246.192 3.550 30 20 BHED C=CCSCc1coc(-c2cccs2)n1 114756542 FHZMYFNHTWSBQI-UHFFFAOYSA-N 237.349 3.822 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)Cc1ccc(C)s1 126844003 JJOKAVOEWWRHFT-NEPJUHHUSA-N 237.412 3.932 30 20 BHED C[C@@H]1CCN(CCCC(C)(C)C#N)C[C@H](C)C1 127287150 MEVOFMJQMSFWSB-ZIAGYGMSSA-N 236.403 3.684 30 20 BHED C=CCCCCCN(C)C(=O)c1cccc(C)c1 156881541 HFSQDLGSLROJFX-UHFFFAOYSA-N 245.366 3.813 30 20 BHED CCCCCCCC(=O)N[C@@H]1C=CCCC1 157740803 RDPMRGJFISJWGF-CYBMUJFWSA-N 223.360 3.572 30 20 BHED CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 164612858 QBQIGXTTZWPGPB-BJJXKVORSA-N 242.366 3.788 30 20 BHED N#CCCCSc1nc(-c2ccccc2)co1 195109907 IVUOOYXKXXYWQM-UHFFFAOYSA-N 244.319 3.737 30 20 BHED C=CCCC(=O)O[C@H](C)c1ccc(Cl)cc1 303180829 STLLKWRJXPUPAT-SNVBAGLBSA-N 238.714 3.910 30 20 BHED C=CCNc1cc(C)cc(C(F)(F)F)c1 309164166 IGJJQLMDCJGULH-UHFFFAOYSA-N 215.218 3.612 30 20 BHED N#Cc1ccc(Cl)cc1N[C@@H]1CC[C@H](F)C1 309576807 PATVPJVPOBZJAD-WDEREUQCSA-N 238.693 3.514 30 20 BHED Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1Cl 309881915 VVLGQDXCQPVXBG-WDEREUQCSA-N 234.730 3.753 30 20 BHED N#CCc1cccc(NC[C@H]2CC=CCC2)c1 313457425 ZMYBQKLANDILRN-AWEZNQCLSA-N 226.323 3.521 30 20 BHED C=CCCC(=O)N[C@@H](C)c1ccccc1SC 337139543 GOEPLMKYODOPOE-NSHDSACASA-N 249.379 3.552 30 20 BHED C=C(C)CCN[C@@H](CC(F)F)c1ccccc1 420989347 BZUIDDWJONGMSB-ZDUSSCGKSA-N 239.309 3.939 30 20 BHED C=CCC1(NC(=O)[C@H](C)CCC)CCCCC1 456374924 XMTBIWDGLXANKH-CYBMUJFWSA-N 237.387 3.818 30 20 BHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)C1=CCCC1 457176589 GOUIBPJFEHCSLJ-INIZCTEOSA-N 249.398 3.841 30 20 BHED N#Cc1ccc(N[C@H]2C[C@@H]2Cc2ccccc2)cc1 462874540 MXQQAIVERZKXRL-RDJZCZTQSA-N 248.329 3.601 30 20 BHED CCN(CCC#N)[C@H](C)c1c(C)cc(C)cc1C 532566530 MYJMCNIQSGXSPB-OAHLLOKOSA-N 244.382 3.908 30 20 BHED Cc1cccc(SCc2ccc(C#N)cn2)c1 576893818 ZGUPZBKMCLLCFY-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=CCOCCSc1ccc(C)c(C)c1 577405619 LSZGORZZYSZRKK-UHFFFAOYSA-N 222.353 3.598 30 20 BHED C=CCCCCS[C@@H](C)c1nc(C)no1 591380246 CUFWTJMPKYKUCN-VIFPVBQESA-N 226.345 3.529 30 20 BHED C=CCCSCCNC[C@H](C)c1ccccc1 597183658 CGQYKLHGMUBTPF-AWEZNQCLSA-N 249.423 3.689 30 20 BHED C[C@H](CCC#N)CNc1cncc2ccccc12 602582839 YANRDGGGWCWGCH-GFCCVEGCSA-N 239.322 3.587 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H](C)[C@@H](C)CC 620858162 YIXAJSPIUFQYAM-RYUDHWBXSA-N 225.376 3.530 30 20 BHED C=CCC(C)(C)c1noc(/C=C/c2ccco2)n1 645621970 LWXSSNXDUPZEMU-BQYQJAHWSA-N 244.294 3.687 30 20 BHED C=CCCN(C)C(=O)Nc1ccc(C2CC2)cc1 682417932 JIMGHCXFIBIPDI-UHFFFAOYSA-N 244.338 3.604 30 20 BHED C=CCCC(=O)O[C@@H](C)c1ccccc1Cl 726657160 ZTRYGHWWVWZCEJ-JTQLQIEISA-N 238.714 3.910 30 20 BHED CC(C)=CCC[C@H](C)CC=NNCC(F)F 740616625 OXLDDRQJMJDBIC-NSHDSACASA-N 232.318 3.600 30 20 BHED C#CCCN(C1CC1)[C@H]1CCCc2ccccc21 764231525 GAMPPIQJKZRRBV-KRWDZBQOSA-N 239.362 3.552 30 20 BHED C#CC[C@@H](Nc1ncc(C)s1)c1ccccc1 767308207 KODYGDVVRMXGFC-CYBMUJFWSA-N 242.347 3.628 30 20 BHED C#CC[C@H](N[C@@H]1CC[C@H](C)C1)c1ccccc1 773118352 YZGDPUPFBPFPMK-IMJJTQAJSA-N 227.351 3.529 30 20 BHED C=C[C@@H](C)NC(=O)[C@@](C)(CC)CCCCC 780888083 JJQVFWZVUBUMSR-OCCSQVGLSA-N 225.376 3.674 30 20 BHED COc1cccc(NN=C[C@@H]2CCCC[C@H]2C)c1 783816374 OQAPXBVEGNOIGE-OLZOCXBDSA-N 246.354 3.919 30 20 BHED CCc1ccc(C(C)=NOC[C@@H](C)CC)o1 793159314 NADDNQAQEGFDPP-JTQLQIEISA-N 223.316 3.629 30 20 BHED C=CC[C@@H](N[C@H]1CCC12CCC2)c1ccncc1 800478434 HFKKCNQXOOTEIZ-CABCVRRESA-N 242.366 3.621 30 20 BHED CC[C@H]1CC[C@@H](C)CC1=NOC1CCC1 812235336 SLWZYGQFKHWMGD-MNOVXSKESA-N 209.333 3.758 30 20 BHED C1CCC(ON=C2CC[C@@H]2C2CC2)CC1 814908738 AOMKXGPSOIFPBL-GFCCVEGCSA-N 207.317 3.512 30 20 BHED C=CCCCCCCNC(=O)C(C)=C1CCC1 832500171 GSWFXMZHBSRMMO-UHFFFAOYSA-N 235.371 3.740 30 20 BHED CC(C)ON=C1CC(C)(c2ccccc2)C1 834999762 FEMGUDZHHNUHHC-UHFFFAOYSA-N 217.312 3.519 30 20 BHED C=CCCCCC[C@@H](C)NCc1cnc(C)o1 839170601 OUUOHEYGYWMECX-GFCCVEGCSA-N 236.359 3.598 30 20 BHED C=C(Cl)CSC[C@@H](CC(C)C)OC 842198178 ZHMKPJJAAGAALO-SNVBAGLBSA-N 222.781 3.533 30 20 BHED CCC(=NNc1ccc(Cl)cn1)[C@H]1C[C@@H]1C 853434090 AYDXIYNPZKGBDB-WPRPVWTQSA-N 237.734 3.569 30 20 BHED C=C(Cl)CSCc1ncc(C(C)(C)C)o1 853783107 GTWMXONBPXIYLY-UHFFFAOYSA-N 245.775 3.958 30 20 BHED C[C@H]1CCCC[C@H]1COc1ccc(C#N)c(F)c1 1188789808 YBNUIQVLKMLNBH-AAEUAGOBSA-N 247.313 3.902 30 20 BHED CCCCCCCCCC(=O)Nc1ccnnc1 1325169310 UVPSXCFYPVUMRI-UHFFFAOYSA-N 249.358 3.556 30 20 BHED CSc1ccccc1[C@H](C)NCC(C)(C)C#N 1339191863 DYOGRZQLUNANIL-NSHDSACASA-N 248.395 3.609 30 20 BHED C=C(CC)C(=O)N[C@H](C)c1ccccc1SC 1347544702 QCVBCNOEBSSAKN-LLVKDONJSA-N 249.379 3.552 30 20 BHED C=C(C)CN1CC[C@@H]1c1ccc(Cl)cc1 81604404 MPPQWPBYOBCGTG-CYBMUJFWSA-N 221.731 3.663 30 20 BHED CC(C)(C#N)CCSc1ccc(F)cc1 87324150 CDOQZIYYMMKWQA-UHFFFAOYSA-N 223.316 3.858 30 20 BHED CC1(CNc2cccc(F)c2C#N)CCCC1 113616133 LGEHZYZSSVBJGH-UHFFFAOYSA-N 232.302 3.690 30 20 BHED C=CCSCCNC1CCCCCCC1 129373663 JXSBVSXUEJTKMP-UHFFFAOYSA-N 227.417 3.608 30 20 BHED N#CCSCCCSc1ccccc1F 174000832 NKRAJLBLKCNNBC-UHFFFAOYSA-N 241.356 3.565 30 20 BHED C=C(C)CN(C)[C@H](CC)c1ccccc1 194972444 KRIIFDMGVKHVPC-CQSZACIVSA-N 203.329 3.646 30 20 BHED CC[C@@H](C)CN(CC)Cc1cc(F)ccc1C#N 229959924 FLVLMWCMSDRFSH-GFCCVEGCSA-N 248.345 3.565 30 20 BHED C=CCC[C@H](C)NCC(CC)(CC)SC 230664783 ZWYYIDAVMVNKFF-LBPRGKRZSA-N 229.433 3.853 30 20 BHED C=CC[C@@H](CC)NC(=O)C[C@H](C)c1ccccc1 281372044 NGSTVHNINXYHOU-DZGCQCFKSA-N 245.366 3.651 30 20 BHED C=C(CNc1cc(C)ccn1)c1ccccc1 340880927 RAKYFQLUIHQLFD-UHFFFAOYSA-N 224.307 3.515 30 20 BHED C=CCC[C@H](NCC1(C#N)CC1)c1ccccc1 343561547 IOWVEJLEEUCHNO-HNNXBMFYSA-N 240.350 3.587 30 20 BHED CC(C)Cc1cccc([C@@H](C)NCCCC#N)c1 353676839 XCFBSBQBUNTVOU-CQSZACIVSA-N 244.382 3.839 30 20 BHED CSc1ccccc1CSCCCC#N 359077599 YSMYFWAPGPMHPL-UHFFFAOYSA-N 237.393 3.945 30 20 BHED CC(C)N(CC1(C#N)CC1)[C@H](C)c1ccccc1 428854058 AXRSEJBTSWCOBH-CQSZACIVSA-N 242.366 3.762 30 20 BHED N#Cc1ccc(CSCCC2CC2)c(F)c1 437927379 NLDWIZVPIJTDBD-UHFFFAOYSA-N 235.327 3.731 30 20 BHED C=CCN1C[C@H](C)CC[C@@H]1c1ccccc1 512188435 YMANLKBRUVCVIG-UKRRQHHQSA-N 215.340 3.646 30 20 BHED C=C(C)CN(CCC)[C@@H]1CCc2ccccc21 520172225 YKKAQTNMEFNTQL-MRXNPFEDSA-N 229.367 3.962 30 20 BHED C=CCCC[C@@H](C)NC(=O)N(C)[C@H](C)CCC 537263187 FFIXNKPVCYBVQD-CHWSQXEVSA-N 240.391 3.561 30 20 BHED CCC(CC)CN(CC)C[C@@H](C)CCC#N 602445237 UZVHMLRGPYRDQB-ZDUSSCGKSA-N 224.392 3.684 30 20 BHED C=CCCC(C)(C)NC(=O)CC(C)(C)C1CC1 620855914 KDEABUOVLHORGH-UHFFFAOYSA-N 237.387 3.674 30 20 BHED C=CCCC(=O)Oc1cc(C)c(Cl)c(C)c1 726503681 WIWZEZCJVHUOSH-UHFFFAOYSA-N 238.714 3.828 30 20 BHED Cc1cccc(C)c1C=NNc1ccccc1F 755629244 PPRLDVFABPBEJH-UHFFFAOYSA-N 242.297 3.889 30 20 BHED CC(=NO[C@H]1CCCCO1)c1ccc(C)c(C)c1 755818209 PYICLCJGZUPDKK-HNNXBMFYSA-N 247.338 3.571 30 20 BHED C#CCN[C@H](C)c1ccc(Cl)c2ccccc12 765067657 NSZXNNQZESFPMZ-LLVKDONJSA-N 243.737 3.777 30 20 BHED C[C@H]1CCC[C@H](C=NNc2cccc(C#N)c2)C1 768356109 VMHDLJGSPHRJOY-JSGCOSHPSA-N 241.338 3.782 30 20 BHED CC(CCC1CC1)=NNc1cc(Cl)ccn1 768784649 SVTXRSHNQGXSBU-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C#CCCCCN[C@H]1C[C@@H](C)c2c(C)cccc21 773033465 AESZBIQXQNVYMG-ZBFHGGJFSA-N 241.378 3.936 30 20 BHED CCON=C1CC=C(c2ccc(F)cc2)CC1 776763469 LVMSZWAYCWDASB-UHFFFAOYSA-N 233.286 3.786 30 20 BHED C=CCCN(C)C(=S)Nc1cc(C)cc(C)c1 786083728 POOCGQCXRJCSEL-UHFFFAOYSA-N 248.395 3.508 30 20 BHED C#CCCCN1C[C@@H](C)CC[C@@H]1c1ccccc1 796434458 LUGIKOPQAFQGKW-DOTOQJQBSA-N 241.378 3.873 30 20 BHED C=CC[C@@H](CC)NC(=O)C=C(CCC)CCC 798551258 PFHFRJIBIPWXAZ-CQSZACIVSA-N 237.387 3.984 30 20 BHED C=CCCCCCCNC(=O)[C@@H](C)[C@H](C)CC 805219851 YKRWIROKBHBNHG-KGLIPLIRSA-N 239.403 3.921 30 20 BHED CC(CC(C)(C)C)=NN[C@@H](C)c1ccncc1 819819405 ZANGUXISGCIUGC-LBPRGKRZSA-N 233.359 3.544 30 20 BHED C=CCON=C[C@H](c1ccccc1)C(C)C 835013481 SYBRHWBJTMSSBT-AWEZNQCLSA-N 217.312 3.615 30 20 BHED C=CCON=C[C@@H](c1ccccc1)C(C)C 835013482 SYBRHWBJTMSSBT-CQSZACIVSA-N 217.312 3.615 30 20 BHED CC/C(C)=C(/C)C(=O)Nc1cc(C)cc(C#N)c1 837141572 JXFOBNJTJHQDTQ-QXMHVHEDSA-N 242.322 3.552 30 20 BHED C=CC(C)(C)C(=O)N(C)C1CCCCCCC1 839266915 HPWUPLAOYQMKOR-UHFFFAOYSA-N 237.387 3.770 30 20 BHED CC[C@@H](C)n1cc(-c2cccc(C)c2C#N)cn1 863690109 KMQKDSMUKDABLT-GFCCVEGCSA-N 239.322 3.701 30 20 BHED C=C(Cl)CS[C@@H](C)c1nc(C(C)C)no1 917954366 PPRNRTFWQVIODD-QMMMGPOBSA-N 246.763 3.740 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cc(-c2ccccc2)no1 925261406 GQNVYIGUPHSPCG-VXGBXAGGSA-N 242.322 3.567 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1c(C)cccc1OC 935671497 SAOARNSZOKUIMW-LBPRGKRZSA-N 247.338 3.544 30 20 BHED CCCC1(CNc2cc(C)c(C#N)cn2)CCC1 1185775232 GIVOJTHPALAMRE-UHFFFAOYSA-N 243.354 3.644 30 20 BHED Cc1cc(OCCC2CCCC2)ccc1C#N 1473024242 JDCCNBWLOGQCHR-UHFFFAOYSA-N 229.323 3.826 30 20 BHED Cc1ccc(C)c([C@@H](C)NCCC(C)(C)C#N)c1 1642594837 VSLYQVODFSEHBV-CQSZACIVSA-N 244.382 3.894 30 20 BHED COc1cc(C#N)ccc1OCC1CCCCC1 19805279 MSMOJAVJRWIQJS-UHFFFAOYSA-N 245.322 3.526 30 20 BHED CC[C@@H](CC#N)NC1CCC(C(C)(C)C)CC1 54181954 HMTVYLOSTFFLDV-MOKVOYLWSA-N 236.403 3.873 30 20 BHED CCCC[C@@H](CC)NCc1ccc(C#N)cc1 69376904 KIHNIEAZRJRPTC-OAHLLOKOSA-N 230.355 3.617 30 20 BHED C=C[C@H](CC(=O)NCCC(C)C)c1ccccc1 121805769 DHJNRFOUWJNELY-CQSZACIVSA-N 245.366 3.509 30 20 BHED C[C@@H](CNc1ccc(C#N)c(Cl)c1)C1CC1 123137919 MRWDSCQDAXVCQY-VIFPVBQESA-N 234.730 3.670 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cccc(C)c1 128037425 RCBZGEBZBUWUCK-OLZOCXBDSA-N 203.329 3.610 30 20 BHED C[C@@H](c1ccco1)N(C)CC(C)(C)CCC#N 131152926 WEVXKOMHQNOSRE-LBPRGKRZSA-N 234.343 3.602 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cccc(Cl)c1 157255477 DJRWIBLGJQINKU-ZJUUUORDSA-N 209.720 3.565 30 20 BHED Cc1cc(OCc2ccccc2C#N)ccc1F 158871586 GSODJKPYVVDXHY-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=C(C)CCNc1cc(OC)ccc1Cl 168974318 VVTDJSGQNOXJRW-UHFFFAOYSA-N 225.719 3.727 30 20 BHED CCC(CC)C(=O)O[C@H](C)c1ccc(C#N)cc1 175767341 RHNVCDSXOWNPLR-LLVKDONJSA-N 245.322 3.599 30 20 BHED C=C(C)CSCc1ncc(C)c(OC)c1C 180398216 CNOCKHBAYJGYNV-UHFFFAOYSA-N 237.368 3.516 30 20 BHED C=CCC1(c2nc(-c3ccccc3)no2)CCC1 191218262 KUBFVIPHGZKGCV-UHFFFAOYSA-N 240.306 3.734 30 20 BHED CSc1ccccc1[C@H](C)NCCCCC#N 194881973 VQKAOMBPGPMMEG-LBPRGKRZSA-N 248.395 3.753 30 20 BHED C[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C[C@@H]1C 249260078 HMXIBDOKDTYDMO-HZSPNIEDSA-N 242.366 3.597 30 20 BHED Fc1cccc(CON=Cc2ccccc2F)c1 255379659 AFHIVCPWLWJYLU-UHFFFAOYSA-N 247.244 3.516 30 20 BHED C[C@@H](CCC#N)N[C@H](c1ccccc1)C1CCC1 278959692 NQXVSCQGGXRIDJ-XJKSGUPXSA-N 242.366 3.810 30 20 BHED N#CCCN[C@@H](c1ccc(Cl)cc1)C1CCC1 298844602 IEWJLHRDEPCFPV-CQSZACIVSA-N 248.757 3.684 30 20 BHED CC(C)c1ccc(SCCO[C@@H](C)C#N)cc1 305973182 DMRKNPGWRQEGHN-LBPRGKRZSA-N 249.379 3.831 30 20 BHED CC#CCSc1cccc(Br)c1 306251335 TVSFYZCQJFAWNZ-UHFFFAOYSA-N 241.153 3.565 30 20 BHED C=CCC[C@@H](CC)NC[C@@H]1CCCCS1 309175318 MLYDGMDRQXQSNS-OLZOCXBDSA-N 227.417 3.607 30 20 BHED CC(C)C[C@@H](C)C[C@@H](C)NCC(C)(C)C#N 309599010 JLIGOYWWDMMJKD-CHWSQXEVSA-N 224.392 3.587 30 20 BHED C=CCCCCN[C@@H]1CCc2cc(F)ccc21 310215309 VTMKYVUAOZEOCI-OAHLLOKOSA-N 233.330 3.759 30 20 BHED C=C[C@@H]1CCCCN1c1ccnc(C)c1Cl 355681167 JEVQIFICWDJJKS-LLVKDONJSA-N 236.746 3.588 30 20 BHED C=CC(C)(C)C(=O)N[C@H]1CCC(C)(C)C[C@H]1C 410538061 ACMHTVDTNPJGNP-NEPJUHHUSA-N 237.387 3.530 30 20 BHED N#CCCSCc1ccc(Cl)s1 413013933 PJJPOOSGPQFAIV-UHFFFAOYSA-N 217.746 3.548 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1C[C@H]1c1ccco1 414345499 LDOREPBRTWOFSM-BFHYXJOUSA-N 233.355 3.860 30 20 BHED C=CCC[C@H](CCC)NCc1ccc(C#N)s1 421354619 WXOZSCJLYMMYEI-LBPRGKRZSA-N 248.395 3.844 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cc2ccc(C)cc2o1 426060825 SDOTWKBJNGWNIS-VXGBXAGGSA-N 229.323 3.966 30 20 BHED C[C@H]1CCC(C)(C)N1CCCC(C)(C)C#N 452016450 WOYLUSITNSSDET-LBPRGKRZSA-N 222.376 3.579 30 20 BHED C=CCCCCCN(C#N)c1ccc(OC)cc1 478744755 IVVVSAGONUIKKA-UHFFFAOYSA-N 244.338 3.729 30 20 BHED C=C(C)CCN(C)C[C@H](C)c1ccccc1 509679722 IUAISSQZZVDUDN-AWEZNQCLSA-N 217.356 3.688 30 20 BHED C=CCCN1C[C@H](C)C[C@H]1c1cccc(OC)c1 541320000 SKNJBPUKYILKRJ-CJNGLKHVSA-N 245.366 3.654 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C[C@H]1CCCC[C@H]1C 577693370 PTVAJVJXHAXJPG-RBSFLKMASA-N 249.398 3.770 30 20 BHED CC(C)(C)C[C@@H]1C[C@H]1NCC(C)(C)CCC#N 593660843 OMQLZAFLWVXQEB-QWHCGFSZSA-N 236.403 3.731 30 20 BHED C[C@@H](CCC#N)CN(C)[C@H](C)c1ccc(F)cc1 602431544 SRHXXMHNNUXRGQ-QWHCGFSZSA-N 248.345 3.758 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C 650389315 DHENVUOBWAGIBG-NWDGAFQWSA-N 237.387 3.530 30 20 BHED C1CCC(NN=C2CC[C@@H]3CCCC[C@H]3C2)C1 727651882 CRGLAGIHFORPEF-STQMWFEESA-N 234.387 3.865 30 20 BHED Fc1cccc(F)c1NN=C[C@@H]1CC=CCC1 735618513 BCCYCNPETQDMQT-SNVBAGLBSA-N 236.265 3.719 30 20 BHED CCO[C@H]1CC(=NNc2ccc(C)cc2)C1(C)C 736429634 YJJBMGDKRIALRM-AWEZNQCLSA-N 246.354 3.598 30 20 BHED CCCCCC[C@@H](C)NN=C1CC(C(F)F)C1 766024719 HVMOSKQHGVUZAZ-NFJWQWPMSA-N 246.345 3.966 30 20 BHED CC(C)=CCC/C(C)=C\C=NNCC(F)(F)F 769825983 ZMRYVXSQJOBVEH-MMAQOGJMSA-N 248.292 3.817 30 20 BHED N#CC1(COC(=O)CCCC2CCCCC2)CC1 775828045 ZSBYIGWKPZSFQB-UHFFFAOYSA-N 249.354 3.584 30 20 BHED CCCCCCCC(C)=NN=c1cc[nH]cc1 779810851 JVTUYTLJVHREJG-UHFFFAOYSA-N 233.359 3.652 30 20 BHED Cc1ccc(NN=C2CCC2(C)C)cc1 788928628 MBABQCVXHHWJCP-UHFFFAOYSA-N 202.301 3.583 30 20 BHED C=CCCCCC[C@@H](C)NCc1cc(C)no1 793528592 SINBDZNHZOUWNF-GFCCVEGCSA-N 236.359 3.598 30 20 BHED C=CCCCCC[C@H](C)NCC1(OC)CCC1 793556823 ZMAYCFBJUOILTQ-AWEZNQCLSA-N 239.403 3.670 30 20 BHED CC(C)C(C=NNc1cccc(F)n1)C(C)C 795006336 FXGCFCPIPYGFFU-UHFFFAOYSA-N 237.322 3.547 30 20 BHED CC[C@H]1CCC1=NNCc1ccc(Cl)cc1 807976479 MKCIOVCGXGOEDI-NSHDSACASA-N 236.746 3.606 30 20 BHED C(=NOC1CCC1)c1csc2ccccc12 812236305 JKMICLOOHVICHX-UHFFFAOYSA-N 231.320 3.804 30 20 BHED CCCC(=NOCc1cccnc1)C1CCCC1 834965900 JBIZJDXNUDXOAO-UHFFFAOYSA-N 246.354 3.945 30 20 BHED Cc1cc(/C=C\C(=O)C2CCCCC2)cnc1F 899345019 DCBFCIFQRWJODZ-FPLPWBNLSA-N 247.313 3.692 30 20 BHED CC(=NOC(C)(C)C)c1cc(F)cc(F)c1 1320325386 LJCMCDNGKHWRCF-UHFFFAOYSA-N 227.254 3.504 30 20 BHED CCCCCCC(=O)O[C@H](CC#N)c1ccco1 1344936366 KVBJAIQJUMPXER-CYBMUJFWSA-N 249.310 3.748 30 20 BHED N#CCCCCN1CCC[C@@H]1c1cccs1 57598676 RGVPZQYPZQLCOF-GFCCVEGCSA-N 234.368 3.579 30 20 BHED CC[C@@H]1CCCC[C@@H]1NCc1cc(C#N)cs1 93492273 LCIYRASKOSDENW-OCCSQVGLSA-N 248.395 3.678 30 20 BHED C[C@H](CC1CCC1)N[C@H](C)c1ccc(C#N)cc1 129596763 CMBMDIICXBZIIA-CHWSQXEVSA-N 242.366 3.788 30 20 BHED C[C@H]1CCCC[C@@H]1CNCc1ccc(C#N)s1 135686819 ITVZLKZGWNWLJR-NWDGAFQWSA-N 248.395 3.536 30 20 BHED CCN(CCC(C)(C)C#N)Cc1ccccc1C 157652747 FUHCUCUUBXBFCQ-UHFFFAOYSA-N 244.382 3.757 30 20 BHED CC(C)(C#N)CCCN1CCC2(CCCC2)C1 174880141 ZDRGRCVZQTZRMU-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=CCCCC(=O)N(c1ccccc1)C(C)C 177839478 HDHJBYIZSFKSNR-UHFFFAOYSA-N 231.339 3.784 30 20 BHED C[C@@H](c1cccc(C#N)c1)N1CCCC(C)(C)C1 186113709 XVTIMABSJOEAKG-ZDUSSCGKSA-N 242.366 3.741 30 20 BHED CCC[C@@H](NCCCCC#N)c1ccsc1 187697406 TTZMAZCWXMGXTR-CYBMUJFWSA-N 236.384 3.873 30 20 BHED C#CCCCN[C@H](C)c1ccc(Cl)c(F)c1 218263823 ILEYXXFQGZICHS-SNVBAGLBSA-N 239.721 3.543 30 20 BHED C#Cc1cccc(N(C)Cc2ccc(C)cc2)c1 303145254 DOMNOGCCHYJJJG-UHFFFAOYSA-N 235.330 3.613 30 20 BHED C=C(CC)CS[C@@H](C)c1nc(C2CC2)no1 358639201 ZUJBJHJJEHEGLD-VIFPVBQESA-N 238.356 3.707 30 20 BHED C=CCCC(=O)N1CC(C)(C)[C@H]1c1cccs1 377123309 PKHKOEDRXGUSCK-CYBMUJFWSA-N 249.379 3.624 30 20 BHED C=C(C)CCNCc1ccc(OCCC)cc1 395331861 RNQJSSCCTQVUMZ-UHFFFAOYSA-N 233.355 3.531 30 20 BHED C=CCCC[C@H](C)NC(=O)c1cc(C)cs1 398197551 DFENOOPAHDRTET-NSHDSACASA-N 237.368 3.531 30 20 BHED CC(C)=CCC[C@H](C)Nc1ncc(C#N)cc1F 413311809 JAOLXTKSEPAVFK-NSHDSACASA-N 247.317 3.639 30 20 BHED Cc1cc(C#N)cc(C)c1OCCC(C)(F)F 418913266 XRFQGHQTQIMVGW-UHFFFAOYSA-N 239.265 3.599 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H](C)CC1 424808061 SWGOCNPVRGDDIH-STQMWFEESA-N 237.387 3.674 30 20 BHED C=CC[C@@H]1N(Cc2ccccn2)CCCC1(C)C 444776195 BLVSXVHPEZDKBX-HNNXBMFYSA-N 244.382 3.648 30 20 BHED C=CCCCC[C@H](C)NC[C@H](C)C(F)(F)F 449259389 TYEZTLLOCGQDJP-QWRGUYRKSA-N 237.309 3.909 30 20 BHED C=CCC1(CN[C@H](C)C(C)(C)OC)CCCC1 453380861 RMBFKMABMJBWCS-CYBMUJFWSA-N 239.403 3.526 30 20 BHED C=CC(C)(C)CNC(=O)c1c(C)cc(C)cc1C 456120805 VJGUQLGJRHYEKE-UHFFFAOYSA-N 245.366 3.554 30 20 BHED C=C[C@@](C)(CC)C(=O)NCCCC1CCCC1 467258531 HPOUVHNYJKCYMS-HNNXBMFYSA-N 237.387 3.675 30 20 BHED C=C(C)CCc1noc(-c2sccc2CC)n1 508625367 LFBILUIUWKNUQP-UHFFFAOYSA-N 248.351 3.869 30 20 BHED C=C(C)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 511844828 NOCMKUHEPSHJPP-BBWFWOEESA-N 241.378 3.831 30 20 BHED COc1cccc(CSCC(C)(C)CC#N)c1 519000816 JVSQBNDBXRJVFY-UHFFFAOYSA-N 249.379 3.868 30 20 BHED C=CCCN(Cc1ccccc1)CC1CCC1 524811707 LKXXTPKFZLPNOD-UHFFFAOYSA-N 229.367 3.865 30 20 BHED C=CCCCCCN(C)C(=O)C1=CCCCC1 527108421 OXCZFZCBDDQEOO-UHFFFAOYSA-N 235.371 3.692 30 20 BHED C=C(CC)CSCc1ncccc1C 537421261 JRWQCTCNSLDVEK-UHFFFAOYSA-N 207.342 3.589 30 20 BHED C=CCC[C@H](NCCc1sccc1C)C1CC1 538117307 WCIMPUQLBSSRHV-AWEZNQCLSA-N 249.423 3.933 30 20 BHED C=C[C@](C)(CC)C(=O)N1CC2(CCC2)[C@H]1C(C)C 553071073 JHQFZMWIFVADHE-UKRRQHHQSA-N 249.398 3.626 30 20 BHED CCC(CC)N(CC)CC#Cc1ccc(F)cc1 569884512 TYHGQDMBUSTFIX-UHFFFAOYSA-N 247.357 3.688 30 20 BHED CC(C)=CCSCc1ccc(F)c(C#N)c1 576617060 RTFIQHQRMIZDIH-UHFFFAOYSA-N 235.327 3.897 30 20 BHED CCN(C[C@@H](C)C#N)C[C@H](C)c1ccc(C)cc1 600113882 YGEWFPYHDDUSCY-GJZGRUSLSA-N 244.382 3.580 30 20 BHED CCCOc1ccccc1NC[C@@H](C)CCC#N 602487698 NTPFOTWXUCORKL-ZDUSSCGKSA-N 246.354 3.827 30 20 BHED C=CCCCN(C)c1cccc(C)c1C 605150149 YUPMRCOEFUIDPJ-UHFFFAOYSA-N 203.329 3.706 30 20 BHED C=CCCSCc1cccc([N+](=O)[O-])c1C 610088817 AKRDKXSGOONTMK-UHFFFAOYSA-N 237.324 3.713 30 20 BHED C=C(CC)CN[C@@H](C)c1cc2ccncc2s1 658032141 OCBWHGQQYLNYHE-NSHDSACASA-N 246.379 3.913 30 20 BHED N#Cc1cc(F)cc(N[C@H]2CCCC23CCC3)c1 718564100 JQRCGTCVDAMYDD-AWEZNQCLSA-N 244.313 3.832 30 20 BHED CC(Cc1ccsc1)=NNc1ccccc1 729631398 IIBYVQCDLSLHCL-UHFFFAOYSA-N 230.336 3.779 30 20 BHED CC(C)CCCON=Cc1cccs1 762193314 WOYIYYKJTRBLRZ-UHFFFAOYSA-N 211.330 3.535 30 20 BHED FC(F)(F)C1CCC(=NNC2CCCC2)CC1 766020714 GNEDBKYSPAWARL-UHFFFAOYSA-N 248.292 3.627 30 20 BHED CC1=C(C(=O)OCCCCC(C)(C)C#N)CCC1 768793964 RFFBRBBPKANHNG-UHFFFAOYSA-N 249.354 3.750 30 20 BHED C[C@@H]1CN(CCC(C)(C)C#N)Cc2ccccc21 776579750 PJHQCDOEEJCAKX-CYBMUJFWSA-N 242.366 3.546 30 20 BHED CC(=NOCCC(F)(F)F)c1cc(C)oc1C 777461106 UPMZRHOIBNVAAC-UHFFFAOYSA-N 249.232 3.589 30 20 BHED C=CCC[C@H](C(=O)OCCC)c1ccccc1 778552568 OHKMLAGHVIGFFJ-AWEZNQCLSA-N 232.323 3.690 30 20 BHED C=CCN(C(=O)[C@H]1CCCC[C@H]1CC)C(C)C 793417113 JOAKRAKQMWEIQK-KGLIPLIRSA-N 237.387 3.626 30 20 BHED C=CCCCCCCNC(=O)C[C@H](C)CC 805219274 CYHPNZCQGHZKEU-CYBMUJFWSA-N 225.376 3.675 30 20 BHED C1CCC(CNN=C2CCC[C@H](C3CC3)C2)C1 808007056 NMYGSQDZGNFFHK-AWEZNQCLSA-N 234.387 3.722 30 20 BHED C[C@@H](C=NOC/C=C/Cl)C1CCCCC1 814934134 MINZKSNCNRGKLE-QODHRMTHSA-N 229.751 3.958 30 20 BHED C=C1CCC(C(=O)N2CCC[C@H]2CC(C)C)CC1 896021846 HWEWTKCTVVACHG-HNNXBMFYSA-N 249.398 3.770 30 20 BHED CC(=NNc1cc(F)ccc1F)C1CCC1 901320329 MYFWGKVJTLXFKS-UHFFFAOYSA-N 224.254 3.553 30 20 BHED CCCSCCCCC1(C#N)CCC1 901750525 XWFNMTJVVAGLBO-UHFFFAOYSA-N 211.374 3.994 30 20 BHED CC(=NNc1cccc(Cl)c1)c1ccco1 916269268 BSSUYIPYMNVGBV-UHFFFAOYSA-N 234.686 3.769 30 20 BHED C=C(C)C(C)(C)c1nnc(-c2ccccc2C)o1 1330082253 CVVBMLROQFKVDG-UHFFFAOYSA-N 242.322 3.899 30 20 BHED C[C@H](C#N)CN(C)Cc1ccc(C(C)(C)C)cc1 47979720 QSRLSCPSHCLHOG-CYBMUJFWSA-N 244.382 3.576 30 20 BHED CCc1ccc(CN(CCC#N)CC(C)C)cc1 49961523 YDYJAUZOIILFMP-UHFFFAOYSA-N 244.382 3.621 30 20 BHED O=C(/C=C/c1cccs1)c1cccc(F)c1 57435464 DDUKRQFAUJDPJM-VOTSOKGWSA-N 232.279 3.783 30 20 BHED C[C@@H](N[C@H](C)C1CCCC1)c1cccc(C#N)c1 70305580 DHUPDXMNSGJRPQ-CHWSQXEVSA-N 242.366 3.788 30 20 BHED C#CCCCCN[C@@H](C)CCc1ccccc1F 90398144 UAFPCGGXBBWRSA-AWEZNQCLSA-N 247.357 3.540 30 20 BHED C#CCCCCN[C@H](C)[C@H](C)c1ccccc1 90399130 ZDWXVBJLONQFPD-LSDHHAIUSA-N 229.367 3.572 30 20 BHED CC1(C)CC[C@H](Nc2ccc(CC#N)cc2)C1 129390592 IZOGQJUVSHLPBF-AWEZNQCLSA-N 228.339 3.743 30 20 BHED C#CCCCCN[C@@H](CC)c1ccc(F)cc1 130765579 SAPVCUFJUZIOTK-HNNXBMFYSA-N 233.330 3.670 30 20 BHED C=CC[C@H](C)N[C@@H](C)CCCC(F)(F)F 166697072 WJWGQODUIBZSNL-UWVGGRQHSA-N 223.282 3.662 30 20 BHED CCCC[C@H](CCC)Nc1cnccc1C#N 220038140 LPTIFFDYHJOMEG-ZDUSSCGKSA-N 231.343 3.724 30 20 BHED C[C@H]1CCCC(=NNc2nc3ccccc3[nH]2)C1 254509074 KUOAITJKVJHWIK-JTQLQIEISA-N 242.326 3.541 30 20 BHED CC(C)(C#N)CCCSCCCCF 350782265 VJEANPASZKDDDJ-UHFFFAOYSA-N 217.353 3.799 30 20 BHED CC(C)(C#N)CCCCN1CCC[C@H](C2CC2)C1 377604711 IRLKIZXGPYHTOY-HNNXBMFYSA-N 248.414 3.828 30 20 BHED C=CCC[C@H](C)N[C@H](CC(F)(F)F)C(C)C 381451890 GZBPXPHFKPICCW-WDEREUQCSA-N 237.309 3.908 30 20 BHED C=CCN(CC[C@H](C)c1ccccc1)C1CC1 446757518 BKROUCMTSRVFLQ-AWEZNQCLSA-N 229.367 3.831 30 20 BHED C=CC[C@H](C)[C@@H](C)Nc1cccc(CC#N)c1 449704081 VGZCSJIUGXUDJU-QWHCGFSZSA-N 228.339 3.765 30 20 BHED C=CC(C)(C)CN[C@H](CCC)c1cccnc1 453302754 ATQQZMHTRISPOZ-CQSZACIVSA-N 232.371 3.725 30 20 BHED CC#CCCN1CCC[C@H]1c1ccccc1Cl 462320860 SQKGHHNOQQBHLR-HNNXBMFYSA-N 247.769 3.890 30 20 BHED C=C[C@H](C)NC(=O)C1CCC(CCCC)CC1 465121156 LTHGBQOMIYHZGC-HSBZDZAISA-N 237.387 3.674 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@H]1CCC[C@@H]1C 469815456 FGFJXZZZVMZZAR-MELADBBJSA-N 237.387 3.674 30 20 BHED C=CCCCCN[C@@H]1CCc2ccc(F)cc21 471612643 NTRQSISZTSQDPR-OAHLLOKOSA-N 233.330 3.759 30 20 BHED C=CCCC1(C(=O)N[C@H](C)C[C@H](C)CC)CC1 476101537 APUJXOSOQHCZNT-CHWSQXEVSA-N 237.387 3.674 30 20 BHED C=C(C)CCN[C@H](CC(C)C)c1ccccn1 508974829 CLCCZWYJPKHWHZ-OAHLLOKOSA-N 232.371 3.725 30 20 BHED C=CCCSCCCOc1ccccc1 524604784 HIYCMHSKIZYRRY-UHFFFAOYSA-N 222.353 3.765 30 20 BHED C=CCCN(C)[C@H](CC)Cc1ccccc1 525127633 KLXZCQVFOAKYRM-OAHLLOKOSA-N 217.356 3.516 30 20 BHED C=CCC[C@@H](NCC(C1CC1)C1CC1)C1CC1 533038227 HPXYNWSFKZOTIO-MRXNPFEDSA-N 233.399 3.757 30 20 BHED C=CC[C@H](C)[C@@H](C)NCCc1ccc(F)cc1C 539602336 GBIAWAZKKOTOTD-GXTWGEPZSA-N 249.373 3.867 30 20 BHED CCc1cccc(CON=Cc2cccs2)c1 588557420 KPICIQMQZVRCKR-UHFFFAOYSA-N 245.347 3.861 30 20 BHED CC(C)c1cccc(CNCC(C)(C)CC#N)c1 596053053 ABQCVTRQTOMXPP-UHFFFAOYSA-N 244.382 3.839 30 20 BHED N#C[C@@H](CCc1ccccc1)SCC1CC1 601082960 WNVDXPADKYEYIQ-CQSZACIVSA-N 231.364 3.655 30 20 BHED C=CC[C@H](C)NCc1csc(C(F)(F)F)c1 623423134 WREQKBVNFXJZQK-QMMMGPOBSA-N 249.301 3.821 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccc(C)nc1C 684963435 GSEANPFWCIKKBF-ZIAGYGMSSA-N 232.371 3.704 30 20 BHED Cc1cccc(N[C@@H](C)CC(C)(C)C#N)c1 695793109 YPURXBHOFPKBAF-LBPRGKRZSA-N 216.328 3.735 30 20 BHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCc2ccccc21 695869803 FVSJEDPZNJIHPI-IUODEOHRSA-N 242.366 3.592 30 20 BHED C=CC[C@@H](C)C(C)=NNc1ncccc1Cl 727778580 MZQKUGYLIOEPPG-SECBINFHSA-N 237.734 3.735 30 20 BHED Cc1cc(C)cc(NN=C2CCC[C@@H]2C)c1 729143700 KZSHRCPSDVGAPW-LBPRGKRZSA-N 216.328 3.891 30 20 BHED CCC(CC)NN=C1CCC[C@H]1C(C)C 747750211 LJJDKWKGWSFMII-LBPRGKRZSA-N 210.365 3.577 30 20 BHED CC(C)(C)CC=NNc1cc(F)c(F)cc1F 755730851 NULOWQAEXOZEPX-UHFFFAOYSA-N 244.260 3.938 30 20 BHED CON=C(CCc1ccccc1)c1ccccc1 762605437 VYALYVHBQDXSQK-UHFFFAOYSA-N 239.318 3.670 30 20 BHED C#CCCCN[C@H](c1ccccc1)C1CCC1 766921038 XIZGFSIHPXMIDD-MRXNPFEDSA-N 227.351 3.531 30 20 BHED CCON=CC(c1ccccc1)c1ccccc1 767461556 DGMJXSPLZNQZSV-UHFFFAOYSA-N 239.318 3.841 30 20 BHED C#CCCCCCC(=O)NC1CCCCCCC1 779714316 DIQILXJNTNUHRI-UHFFFAOYSA-N 249.398 3.799 30 20 BHED C=C[C@H](C)OC(=O)c1[nH]c2ccccc2c1Cl 781575593 RZJZPNALLDZZKR-QMMMGPOBSA-N 249.697 3.553 30 20 BHED CCCC[C@@H]1CCCC1=NNc1ncccc1F 794991232 XCWSSZWXNPSRRI-LLVKDONJSA-N 249.333 3.979 30 20 BHED COc1ccccc1CON=C[C@@H]1CC[C@H](C)C1 800817836 VPJOHEGPJWQUMG-QWHCGFSZSA-N 247.338 3.634 30 20 BHED C1CCC(CNN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)C1 808006988 KGHBVTXYGWFKRR-BARDWOONSA-N 246.398 3.578 30 20 BHED C=CCCCCCCCN[C@H]1CCCOCC1 810243752 SWFMHMYXBBPDOI-HNNXBMFYSA-N 239.403 3.672 30 20 BHED C#CCOCSc1ccc(Cl)c(Cl)c1 814751861 UXGAJHLYAFTITE-UHFFFAOYSA-N 247.146 3.693 30 20 BHED FC(F)(F)CCON=C1CCCC12CCC2 834971080 AEICJIXDUWURDI-UHFFFAOYSA-N 235.249 3.666 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1OC(=O)CC(C)(C)C#N 851144594 SDZFPINXDQBAGX-OLZOCXBDSA-N 249.354 3.604 30 20 BHED CCCCCCCNC(=O)c1cc(C)oc1C 862359507 NORCBDBQFXCZBL-UHFFFAOYSA-N 237.343 3.597 30 20 BHED C#CCCCNc1ccc(OC)c2ccccc12 863359601 BTOXXFLEAVJLOH-UHFFFAOYSA-N 239.318 3.674 30 20 BHED C=CC(C)(C)CC(=O)N[C@H](C)c1ccsc1 879884662 GVOVOYHVWONQEI-SNVBAGLBSA-N 237.368 3.528 30 20 BHED CCCNN=C(C)c1ccc(Cl)cc1Cl 915965100 FDVVXMJJLOXXHZ-UHFFFAOYSA-N 245.153 3.717 30 20 BHED C=C(Cl)COC(=O)CCC1CCCCC1 916616829 SBNVJBYXOJIOSL-UHFFFAOYSA-N 230.735 3.643 30 20 BHED CCSc1ccccc1CSCCC#N 917847132 GCEDWIFSNMZDRJ-UHFFFAOYSA-N 237.393 3.945 30 20 BHED C=CCCN[C@@H](C)c1coc2ccccc12 926686348 UUAZLUWGJSWUFZ-NSHDSACASA-N 215.296 3.660 30 20 BHED CCCCCCCCCNC(=O)[C@H](C)CC 1322437451 VKUJCCYADCOORL-CYBMUJFWSA-N 227.392 3.899 30 20 BHED Clc1ccccc1NN=C1CCC[C@H]2C[C@@H]12 1344638362 OJUYWUDZQPEWEI-VHSXEESVSA-N 234.730 3.928 30 20 BHED CC1(C)CCC(S[C@@H](C#N)C2CC2)CC1 1651925413 WAOLKJVPGSTHIQ-LBPRGKRZSA-N 223.385 3.991 30 20 BHED C=CCN(Cc1ccccc1)C(=O)CC(C)(C)C 45935039 CBJORKDRXHQJLJ-UHFFFAOYSA-N 245.366 3.637 30 20 BHED N#CCCCN1CCC[C@H]1c1cccc(Cl)c1 52077809 KMGOFUGVEIXECH-AWEZNQCLSA-N 248.757 3.781 30 20 BHED C[C@H](C#N)SCc1cccc2ccccc12 69646756 JEFLLPBPDLWPDA-LLVKDONJSA-N 227.332 3.985 30 20 BHED CC[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 79054563 JRZGPVPQVNGPLW-CQSZACIVSA-N 242.366 3.570 30 20 BHED CCCCCCCCC(=O)NOC(C)(C)C 149007106 ODBXLCZLUMWGNT-UHFFFAOYSA-N 229.364 3.583 30 20 BHED C=CCS[C@@H](C)c1ncc(C(C)(C)C)o1 153863398 FKOLUVUUNMSJQU-VIFPVBQESA-N 225.357 3.952 30 20 BHED C=CCCCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 175695683 LHIYIFDJCKYRAN-RDBSUJKOSA-N 235.371 3.522 30 20 BHED Cc1ccc2c(c1)[C@H](NCCCCC#N)[C@H](C)C2 180430093 LMFWQKHNSGIJMK-CZUORRHYSA-N 242.366 3.512 30 20 BHED Cc1ccnc(N[C@H]2CCC[C@@H](C)CC2)c1C#N 235381440 IUMHHSXKFIVTQI-YPMHNXCESA-N 243.354 3.642 30 20 BHED CCCCCCC[C@H](C)N[C@H](C)[C@H]1CCOC1 252911673 IDKBFBYUXDCIFL-ZNMIVQPWSA-N 241.419 3.750 30 20 BHED C=CCCCCNCc1coc2ccccc12 310174367 LXDOPVJPTSONJO-UHFFFAOYSA-N 229.323 3.879 30 20 BHED C=CCC(C)(C)CNc1ccc([N+](=O)[O-])cc1 310491806 OOTHIBPTMTVBNZ-UHFFFAOYSA-N 234.299 3.609 30 20 BHED Cc1cnc([C@H](C)/N=C(/O)[C@@H]2CC23CCCC3)o1 329449419 ONMKMLXGHDLQFT-QWRGUYRKSA-N 248.326 3.581 30 20 BHED C=CCCC[C@@H](C)Nc1cccc(Cl)n1 380170544 DLUNDUDHCMEABX-SNVBAGLBSA-N 224.735 3.892 30 20 BHED C#CCCCN[C@@H]1CCC[C@@H]1CCC(C)C 381144145 NFLBTBXLWQMLNE-HUUCEWRRSA-N 221.388 3.594 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccc(C)cc1O 384924091 GZBGIDVKCKCBTQ-LBPRGKRZSA-N 233.355 3.563 30 20 BHED C=CCC[C@@H](CC)NCC(C)(C)CC=C 393466813 IRZSYIRPJGYMAU-CYBMUJFWSA-N 209.377 3.923 30 20 BHED C[C@H](c1cccc(C#N)c1)N(C)CCCCCF 425542038 XSACVXRFLXPGBU-CYBMUJFWSA-N 248.345 3.691 30 20 BHED CC(C)[C@@H]1CCC[C@H](N[C@H]2CC[C@H](C#N)C2)CC1 471597525 FJWJPICYSOWFDW-FZKCQIBNSA-N 248.414 3.873 30 20 BHED C=CCOCCN[C@H](c1ccccc1)C(C)(C)C 559130952 VGWWHCIPOHHGIZ-OAHLLOKOSA-N 247.382 3.566 30 20 BHED CCCc1ccc([C@H](NCCC#N)C(C)C)cc1 560832963 MZGBEHNTCJEGHC-MRXNPFEDSA-N 244.382 3.839 30 20 BHED C=CCC1(NCc2ccccc2C#N)CCCC1 594987891 MKMZCTGLIWGQCX-UHFFFAOYSA-N 240.350 3.537 30 20 BHED C[C@@H]1CCC[C@@H](CCN2CCC[C@@H](CC#N)C2)C1 595615093 OWZBQJHDNVIEPB-PMPSAXMXSA-N 248.414 3.828 30 20 BHED C=CCCNC(=O)Nc1c(C)cccc1C(C)C 665162904 JEIAQPZGSQVTCC-UHFFFAOYSA-N 246.354 3.816 30 20 BHED C=CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 671812506 CZEYNNDTKVCHSR-RBSFLKMASA-N 249.398 3.627 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1cnccc1C 678425576 BLGNRLXIXMTPMX-UBHSHLNASA-N 232.371 3.641 30 20 BHED C=C(CC)CN(C1CCCCC1)C1CC1 678622702 CTXMQCOFJYLCMG-UHFFFAOYSA-N 207.361 3.750 30 20 BHED CCCCCCCC(=O)N(CC(F)F)C1CC1 730237339 QFKMVSLCTRTJKI-UHFFFAOYSA-N 247.329 3.603 30 20 BHED CCCCCCCOC(=O)c1ncccc1C 750519969 YRLOLBHPUGUXMJ-UHFFFAOYSA-N 235.327 3.517 30 20 BHED CC[C@H](C)C=NNc1cc(C)ccc1F 755773133 RDWMWBHNXIUDAC-VIFPVBQESA-N 208.280 3.578 30 20 BHED CCCCC(C)=NNc1ncnc2ccsc12 764841619 RUYKCQBBLWRYAK-UHFFFAOYSA-N 248.355 3.669 30 20 BHED C#CCCCCCC(=O)N(C)[C@H]1CCCC[C@H]1C 779804364 DKWZYIQZZMZCFG-CABCVRRESA-N 249.398 3.607 30 20 BHED CC(C)C[C@@H]1CCCC(=NN=c2cc[nH]cc2)C1 794532056 ZERBVKFVWUWBBL-ZDUSSCGKSA-N 245.370 3.508 30 20 BHED C[C@@H](CC=NOC/C=C/Cl)c1ccccc1 811668571 HSJATKMSHRHJDV-KDUIIVSGSA-N 237.730 3.935 30 20 BHED c1cncc([C@H]2CCCC(=NOC3CCC3)C2)c1 812235977 TXROGSGELQCAJA-LBPRGKRZSA-N 244.338 3.664 30 20 BHED CC[C@H](C)CON=C(C)CCCCC#N 841642391 PEXZAVDOQYXUJX-NSHDSACASA-N 210.321 3.509 30 20 BHED CC(C)=CCC[C@@H](C)CC(=O)O[C@@H](C#N)C1CC1 842727817 VSFZXFCMBNRFPN-OCCSQVGLSA-N 249.354 3.604 30 20 BHED Cc1ccc(NCc2ccc(C#N)o2)c(Cl)c1 123814343 IQYFGTGJGGTCGV-UHFFFAOYSA-N 246.697 3.725 30 20 BHED N#Cc1ccc(F)cc1CSc1ccccc1 129981818 DBUUGMGYLQRMOT-UHFFFAOYSA-N 243.306 3.990 30 20 BHED C=CCC(CC=C)C(=O)N[C@H]1CCCCC1(C)C 153187613 PCMFOTPYKNFTJF-AWEZNQCLSA-N 249.398 3.840 30 20 BHED CCCCCCCCN1CCC[C@@H]1C[C@@H](C)O 158763549 ISORJEMXNGAITQ-HUUCEWRRSA-N 241.419 3.582 30 20 BHED C=C(Cl)CN[C@H]1CCCC[C@@H]1C(C)(C)C 167737176 YIKFJNYXIOCATK-RYUDHWBXSA-N 229.795 3.933 30 20 BHED O=C(/C=C/c1sccc1Cl)c1ccco1 195339185 FITBNYDKRLSRCX-ONEGZZNKSA-N 238.695 3.891 30 20 BHED C[C@H]1C[C@H](C)CC[C@H]1NCC(C)(C)CCC#N 229695953 VSZXDRLFNYAHPO-HZSPNIEDSA-N 236.403 3.731 30 20 BHED C=CCCCCN[C@H](c1cncc(F)c1)C1CC1 281747798 VVHNRNDFMJMGDN-HNNXBMFYSA-N 248.345 3.618 30 20 BHED CC1(C)CC[C@@H]1N[C@@H](CCC#N)c1ccccc1 284479914 USZFXXDOUVIHPR-GJZGRUSLSA-N 242.366 3.810 30 20 BHED Cc1cc(C#N)cc(NCc2sccc2C)c1 308110099 MFBKSILOUOAMCS-UHFFFAOYSA-N 242.347 3.849 30 20 BHED C=CC[C@H](CC)NCc1cccc(C)c1C 309438751 HYUZGBOUXOPGCF-HNNXBMFYSA-N 217.356 3.748 30 20 BHED C=CCCCCN[C@@H](C)c1ccc2c(c1)CCO2 310998438 JECURDPYJWOSRW-ZDUSSCGKSA-N 245.366 3.628 30 20 BHED Cc1nsc(NCCC2=CCCCC2)c1C#N 341267012 SEJGYAJQKVXXQO-UHFFFAOYSA-N 247.367 3.626 30 20 BHED C=CCCCN[C@H](CC)c1ccc(F)cc1F 341847598 PKHQXNGBUDZONE-CQSZACIVSA-N 239.309 3.972 30 20 BHED C[C@@H](SCC1(C#N)CC1)c1cccc(F)c1 344475945 YNIGVGXCMGRGFV-SNVBAGLBSA-N 235.327 3.924 30 20 BHED CC(C)(C#N)CCCCN1CCC[C@H]1C1CC1 364353308 MMZVQXKKGGRWAX-AWEZNQCLSA-N 234.387 3.581 30 20 BHED C=C(CC)CN[C@H](C)c1ccc(OC)cc1C 414146924 LOIKGZRNXCZZAR-CYBMUJFWSA-N 233.355 3.620 30 20 BHED C=CCC(C)(C)C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 429897077 JZEJIYNBEXYPGH-MELADBBJSA-N 249.398 3.531 30 20 BHED C=CCC[C@H](NC[C@H]1CCCC1(F)F)C1CC1 453315016 GKMSFIQAJLPJFF-OLZOCXBDSA-N 243.341 3.756 30 20 BHED C=CCC1(C(=O)N[C@H]2CCCC(C)(C)C2)CCC1 480495494 QEOAISSGTDKMEH-ZDUSSCGKSA-N 249.398 3.818 30 20 BHED C=C1CCN(CCCCc2ccccc2)CC1 480779475 LEXHCINRPWOTFY-UHFFFAOYSA-N 229.367 3.661 30 20 BHED N#Cc1ccccc1OCc1cc2ccccc2o1 486885520 VBDUEZQXEQISPR-UHFFFAOYSA-N 249.269 3.883 30 20 BHED C=C1CCN(Cc2ccc(OC(C)C)cc2)CC1 513449969 DLRUGYJECULSGF-UHFFFAOYSA-N 245.366 3.626 30 20 BHED CCC(CC)CN[C@H](C)c1ccc(C#N)c(F)c1 538506774 YKDXVAWCMZMDBA-LLVKDONJSA-N 248.345 3.784 30 20 BHED CC#CCCCc1nc([C@H]2CCCC[C@H]2C)no1 567458931 AVAJTNHJFAKDMQ-OLZOCXBDSA-N 246.354 3.709 30 20 BHED CC[C@@H]1CCCC[C@@H]1c1noc([C@@H](C)CC#N)n1 596603543 WBSGEDVWXVQPBI-TUAOUCFPSA-N 247.342 3.771 30 20 BHED CC(C)(C#N)CCCCN1CCC(C)(F)CC1 602992625 ATIXKIZVTNIWSA-UHFFFAOYSA-N 240.366 3.530 30 20 BHED C=CCC1(NC(=O)[C@H](C)[C@@H](C)CC)CCCC1 619111246 RSDRAFZUAQXQBC-QWHCGFSZSA-N 237.387 3.674 30 20 BHED CCCCC(C)=NNc1cnc2ccccc2n1 727258333 FKPHYBRFWDHGIE-UHFFFAOYSA-N 242.326 3.608 30 20 BHED C=C(Cl)CN1CCCC[C@@H]1[C@H](C)CC 740423837 UDJIAGMVLMOKJU-ZYHUDNBSSA-N 215.768 3.640 30 20 BHED CCCCCCC[S@](=O)[C@@H](C)C(C)C 764558359 FGRCTTBUOCXGFI-JSGCOSHPSA-N 218.406 3.750 30 20 BHED C=C(CC)CSCCN(C(C)C)C(C)C 773216206 JDGJLOQAHURZGY-UHFFFAOYSA-N 229.433 3.805 30 20 BHED CCCCCCC=NOCCC(F)(F)F 777458694 AJMSTQWHHKVRDV-UHFFFAOYSA-N 225.254 3.912 30 20 BHED CC(C)C[C@@H](C)C=NNc1ccc([N+](=O)[O-])cc1 799105158 NIRQHEOGSDKBPU-LLVKDONJSA-N 249.314 3.675 30 20 BHED CC[C@H]1CCC1=NN[C@H]1CCCCC1(C)C 807985497 PYDILQJPKODRBE-AAEUAGOBSA-N 222.376 3.721 30 20 BHED C=CCCCCCCCN[C@H](C)c1cnn(C)c1 810242761 HHLZNGTXYSHFKU-CQSZACIVSA-N 249.402 3.597 30 20 BHED N#Cc1ccc(OCCCSC2CCC2)cc1 829742258 KDXWFMBTADBKGP-UHFFFAOYSA-N 247.363 3.613 30 20 BHED CC1(C)CCC(=NNc2ccc(Cl)cn2)C1 853437108 AQPNJDQXXNIHJF-UHFFFAOYSA-N 237.734 3.713 30 20 BHED CCSc1ccccc1CN[C@H](CC)CC#N 930692213 FKXVDCNDIZENHD-CYBMUJFWSA-N 248.395 3.580 30 20 BHED N#CCSc1ccc2c3c(cccc13)CC2 1189977337 LLLGSRFAXKMGHP-UHFFFAOYSA-N 225.316 3.554 30 20 BHED C=C(Cl)CNC(C)(C)c1ccccc1C 1307794483 ODAANQHWXWNUNL-UHFFFAOYSA-N 223.747 3.572 30 20 BHED C=C(CC(C)C)C(=O)Nc1c(C)cccc1F 1346734038 CDVNHNJCIPBDIN-UHFFFAOYSA-N 235.302 3.675 30 20 BHED CC(C)CN(CC1CCC1)c1ccc(C#N)cc1 1642133643 USXMBBCNYVYXHT-UHFFFAOYSA-N 242.366 3.821 30 20 BHED Cc1ccc(C#N)cc1NCc1sccc1C 50429126 QXGANXNXOFJZBO-UHFFFAOYSA-N 242.347 3.849 30 20 BHED CC[C@@H](CC#N)NCc1csc2ccccc12 54463782 QNILUDMSLSUGOX-LBPRGKRZSA-N 244.363 3.683 30 20 BHED C=CCCSc1nnc(-c2ccc(C)cc2)o1 128651899 UCTJQRYEROPOEG-UHFFFAOYSA-N 246.335 3.713 30 20 BHED CCC1(CNCc2ccc(C#N)s2)CCCC1 152245821 XWVHQBOYFQADPP-UHFFFAOYSA-N 248.395 3.680 30 20 BHED C=CC[C@H](C)NCc1ccc(C(F)F)cc1 169124695 VGXRMJCYQIVLAX-JTQLQIEISA-N 225.282 3.678 30 20 BHED C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)c2ccccc21 190632369 NILFNTCLAGWEPC-WBMJQRKESA-N 243.350 3.739 30 20 BHED C=CC[C@H](C)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 252733504 ZSKCSRMFQPISNU-LJISPDSOSA-N 221.388 3.900 30 20 BHED Cc1cc(C)cc(N=Cc2ccccc2O)c1 254839165 CYZZXVVZGARMGX-UHFFFAOYSA-N 225.291 3.760 30 20 BHED C=C(CC)CNC(C)(C)c1cccs1 308582524 HDZSPMFKZFNQRG-UHFFFAOYSA-N 209.358 3.539 30 20 BHED CC[C@@H](C)[C@H](NCC#N)c1ccc(Cl)cc1 309456259 MNUYREYCTKSBPQ-MFKMUULPSA-N 236.746 3.540 30 20 BHED C#CCCCNCC[C@@H](C)CCC=C(C)C 309759564 MFDVMLLXLWSFOT-HNNXBMFYSA-N 221.388 3.762 30 20 BHED CO[C@@H](C)c1cccc(NCCC(C)(C)C#N)c1 345412487 OVTCBEUSNDDUOZ-LBPRGKRZSA-N 246.354 3.746 30 20 BHED C[C@@H](CCC#N)N(C)CCCCc1ccccc1 351648818 UTRPHKPYIFRETJ-HNNXBMFYSA-N 244.382 3.633 30 20 BHED CC(C)(C)OCCCCNc1ccc(C#N)cc1 352547100 BVSUNJULZLFKBZ-UHFFFAOYSA-N 246.354 3.565 30 20 BHED C=CCCCN[C@H](C)c1nc2ccccc2s1 383020872 RFDBWZZMDOIAIX-LLVKDONJSA-N 246.379 3.913 30 20 BHED C=CCCCCCCCN[C@H]1CCSC1 389895415 YPADJTRTICTPMZ-ZDUSSCGKSA-N 227.417 3.608 30 20 BHED C=CC(C)(C)CN[C@@H]1CCCC12CCC2 394848644 DMVYQMJTPWNLMT-GFCCVEGCSA-N 207.361 3.511 30 20 BHED C=CC[C@H](C)[C@H](C)NCC(C)(C)c1cccnc1 414341497 VXCDZONESZYPSA-KBPBESRZSA-N 246.398 3.550 30 20 BHED CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)C1CCCC1 424317272 BQIREXNXUUYOKR-CFVMTHIKSA-N 234.387 3.627 30 20 BHED CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(F)c1 424329103 OZMXGOBKPGSDBJ-NILFDRSVSA-N 246.329 3.559 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H]1CCCC1(C)C 476265770 XBMZEMRIIRQPTQ-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=C(C)CN(CC)C(=O)C[C@H]1CCCC[C@H]1C 518737056 WSIXZGHVMLNFAS-ZIAGYGMSSA-N 237.387 3.627 30 20 BHED C=CCCN(CC)Cc1ccccc1Cl 525328943 QXBJPZGJMMOWND-UHFFFAOYSA-N 223.747 3.738 30 20 BHED C=CC[C@@H](C)[C@H](C)NC1(c2ccccc2)CC1 537421982 DKNQDBXCXGMHQE-KGLIPLIRSA-N 229.367 3.866 30 20 BHED C=CC[C@H](C)NC(=O)Nc1ccc(CC)c(C)c1 539874109 KKKKYLDIOXRLEJ-LBPRGKRZSA-N 246.354 3.644 30 20 BHED C[C@H]1CCCC[C@@H]1Sc1cc(C#N)ccn1 600521015 SMOMLHHRTKLMDU-JQWIXIFHSA-N 232.352 3.624 30 20 BHED N#Cc1ccccc1NCc1cc2ccccc2[nH]1 604501972 BBHUERLMNGHOFL-UHFFFAOYSA-N 247.301 3.652 30 20 BHED C=CCCN(Cc1ccc(Cl)cc1)C1CC1 606896102 VAOJOEMUKJHSBY-UHFFFAOYSA-N 235.758 3.881 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1NCCc1ccco1 657818302 BJQGYCXAHDYJKJ-HIFRSBDPSA-N 233.355 3.547 30 20 BHED C=CCCCC(=O)Oc1ccc(C)c(C)c1 748665041 YZMWHANLHVTQGA-UHFFFAOYSA-N 218.296 3.565 30 20 BHED Cc1cnc(CSc2ccc(C#N)cc2)s1 771555008 DQSQECMZELFHIS-UHFFFAOYSA-N 246.360 3.616 30 20 BHED C=CC[C@H](C(=O)OCC(=C)CC)c1ccccc1 778426837 HSOCCDHKNKMBLS-HNNXBMFYSA-N 244.334 3.856 30 20 BHED CC1(C)CCC1=NNc1cc(F)cc(F)c1 788995330 VSNIUNAKIAZSPY-UHFFFAOYSA-N 224.254 3.553 30 20 BHED C=CC[C@H](C)NC(=O)c1ccccc1CC(C)C 790651592 RDHKYKPJKMZTAO-ZDUSSCGKSA-N 245.366 3.580 30 20 BHED CC(CCCC(C)C)=NNc1ncccc1F 794986186 ZSCAFOSOOBAAHD-UHFFFAOYSA-N 237.322 3.835 30 20 BHED CC[C@@H]1CCC1=NNc1cc(F)c(F)c(F)c1 807974492 JBOGNTXRPNZJCT-SSDOTTSWSA-N 242.244 3.692 30 20 BHED C[C@@H]1CCC[C@H](C=NOC/C=C/Cl)C1 811671730 KEIUBRVLDKVMBI-BTAILPSESA-N 215.724 3.568 30 20 BHED C#CCCCNCc1ccc(C2CCCC2)cc1 812756183 RSKZIILAENAQFA-UHFFFAOYSA-N 241.378 3.847 30 20 BHED Cc1ccc(NC(=O)C#CC(C)(C)C)c(Cl)c1 837307124 FASOYFSYDFVOPI-UHFFFAOYSA-N 249.741 3.636 30 20 BHED C#CCCOC(=O)Oc1ccc(C(C)(C)C)cc1 858876263 UFOINGSPDBZWJY-UHFFFAOYSA-N 246.306 3.523 30 20 BHED C=CCCCC(=O)Nc1ccc(C(F)F)cc1 885581055 JKBXMKYXMYMAQL-UHFFFAOYSA-N 239.265 3.919 30 20 BHED Fc1cccc(C=NNc2cccc(Cl)c2)c1 916269590 ZSHSTRRRTPJVML-UHFFFAOYSA-N 248.688 3.925 30 20 BHED CC[C@@H](C)CON=Cc1csc(C(C)C)n1 1261223273 PIVLGBKLYQIFKK-SNVBAGLBSA-N 240.372 3.663 30 20 BHED C/C(=C\Cl)CSc1c(C#N)cccc1C#N 1325075465 NTLPJKCMUGODML-WEVVVXLNSA-N 248.738 3.665 30 20 BHED Cc1ccc2cc(C=NOC(C)(C)C)ccc2n1 1338649590 NVIINAPKGDGURX-UHFFFAOYSA-N 242.322 3.692 30 20 BHED C=CCC[C@H]1CCCN1C(=O)C1CC2(CCC2)C1 1339032471 ADUSXHFAUQMTKJ-AWEZNQCLSA-N 247.382 3.524 30 20 BHED C[C@H](Sc1cccnc1C#N)c1ccccc1 1641128514 SHOIWKCEKQOFHP-NSHDSACASA-N 240.331 3.807 30 20 BHED C[C@H](S[C@@H](C#N)C1CC1)c1ccccc1F 1643668885 QKORPBJVUQHPDO-ZANVPECISA-N 235.327 3.922 30 20 BHED C=C(C)CCNC(=O)C[C@@H](C)CCC=C(C)C 34483453 PPIDIRRBEKJRTC-AWEZNQCLSA-N 237.387 3.841 30 20 BHED CC[C@H](C)C[C@H](CC)NCc1cccc(C#N)c1 37748756 XQAICACZIGQBQE-BBRMVZONSA-N 244.382 3.863 30 20 BHED CC[C@H](c1ccccc1)[S@@](=O)CCCCC#N 78742713 CWFHYSKOXFRVTK-RHSMWYFYSA-N 249.379 3.580 30 20 BHED CCCCN(CCCC(C)(C)C#N)C1CC1 87608563 CLZZIYLEUIBDFU-UHFFFAOYSA-N 222.376 3.581 30 20 BHED CC(C)c1ccccc1OCC1(CC#N)CC1 88257428 LVYHBZXPHJYVCS-UHFFFAOYSA-N 229.323 3.883 30 20 BHED C[C@H](N[C@H](CCC#N)c1ccccc1)C1CCC1 90665759 WTBRHROGAPSVGP-XJKSGUPXSA-N 242.366 3.810 30 20 BHED CCCCCCCC(=O)N(C)CC1CCC1 110467233 RVTXWSIYWIMYME-UHFFFAOYSA-N 225.376 3.605 30 20 BHED CS[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2)C1 117327861 HCLBDFURJUDHGJ-ZIAGYGMSSA-N 246.379 3.644 30 20 BHED Cc1cc(C)cc([C@H](C)NCC(C)(C)C#N)c1 122229748 PZWPIXHCDOIZIE-ZDUSSCGKSA-N 230.355 3.504 30 20 BHED C=CCC[C@@H](C)Nc1cccc(-c2ccn[nH]2)c1 130661005 HWSNJUIMIDETHH-GFCCVEGCSA-N 241.338 3.843 30 20 BHED C=C(C)CCNCc1ccc(C(F)(F)F)cc1 164424180 JPMSFVIRWVTVSF-UHFFFAOYSA-N 243.272 3.761 30 20 BHED CC(C)CSCc1ccc(F)c(C#N)c1 176960999 KDRKUAVCPUEXBU-UHFFFAOYSA-N 223.316 3.587 30 20 BHED C[C@@H]1[C@@H](c2ccccc2)CCN1CCCCC#N 177544737 HYIRPKWVXJFYMM-ZBFHGGJFSA-N 242.366 3.558 30 20 BHED C#CCCCCC(=O)N(C)C1CCCCCCC1 179918501 UPAZIBQAWYNZOW-UHFFFAOYSA-N 249.398 3.751 30 20 BHED CCOc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 193077218 AGGMMSZFKVICHB-STQMWFEESA-N 244.338 3.580 30 20 BHED Cc1cccc(C(=O)/C=C\c2cccs2)c1 210609346 UDGCQUJGJLZOEK-FPLPWBNLSA-N 228.316 3.953 30 20 BHED CC[C@H](C)CSc1cccc(F)c1C#N 229057249 RJZYFODBAFOXNN-VIFPVBQESA-N 223.316 3.836 30 20 BHED C=CCC(C)(C)C(=O)Nc1cc(F)ccc1C 292419409 ZRLDIOGPBUMGPG-UHFFFAOYSA-N 235.302 3.675 30 20 BHED CCCCCCCNC1CC(OC(C)C)C1 310033124 RVNHULPQUATUJN-UHFFFAOYSA-N 227.392 3.502 30 20 BHED C[C@@H](CC1CCC1)Nc1cccc(CC#N)c1 313430816 USXMXUGMDIZFKZ-LBPRGKRZSA-N 228.339 3.743 30 20 BHED C=CCCCCNCc1ccc(C)c(F)c1 393767096 BBNURDHLEOXFBO-UHFFFAOYSA-N 221.319 3.580 30 20 BHED C=CCN(CCC#N)CC[C@H]1CCC[C@@H](C)C1 428864778 VAXQNYDZTLMKOH-HUUCEWRRSA-N 234.387 3.604 30 20 BHED CC[C@H](C)[C@@H](C)N(CC1(C#N)CCC1)C1CC1 450359211 VKZNVOZBCDKIJU-QWHCGFSZSA-N 234.387 3.579 30 20 BHED C=CCC[C@H](C)N[C@@H](C)CCCc1cccnc1 459632137 DSXOYMNYVPAIBB-GJZGRUSLSA-N 246.398 3.737 30 20 BHED C=CCCCCNC(=O)[C@H]1CCCC[C@@H]1CC 476747067 OVIVNUCQZJMVNQ-KBPBESRZSA-N 237.387 3.675 30 20 BHED CCCCC[C@H]1CCCN1CCC(C)(C)C#N 540686444 LZHXOUWYUDFWLC-AWEZNQCLSA-N 236.403 3.971 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1cc(C)ccn1 552063933 RXIYKKSFVMOEFE-UONOGXRCSA-N 232.371 3.785 30 20 BHED CCCc1ccc(CN(C2CC2)[C@@H](C)C#N)cc1 595710253 OQADBEPHTGVBQV-ZDUSSCGKSA-N 242.366 3.516 30 20 BHED C=CCCC1(CN[C@H](C)c2cn[nH]c2)CCCC1 658099032 UTSACPBBLHFOSS-CYBMUJFWSA-N 247.386 3.587 30 20 BHED C=CCCCCCCN[C@H](C)C[C@@H]1CCOC1 689825120 AIBABAPJKRYEER-CABCVRRESA-N 239.403 3.528 30 20 BHED CC(=NNC1CCCC1)c1ccc(Cl)cc1 727652555 LGGYMUGGSVLQSX-UHFFFAOYSA-N 236.746 3.596 30 20 BHED C=C(C)COC(=O)c1cc2cc(C)c(C)cc2o1 745581132 UPBVNYRZPFOMHY-UHFFFAOYSA-N 244.290 3.783 30 20 BHED CCC(=NO[C@H]1CCCCO1)c1ccc(C)cc1 755822665 HISDJWJDBAGJRF-HNNXBMFYSA-N 247.338 3.652 30 20 BHED CCC(Cc1ccccc1)=NO[C@@H]1CCCCO1 755822945 WIELSPZRAHFLKY-OAHLLOKOSA-N 247.338 3.538 30 20 BHED C=CCCOC(=O)c1ccc2sccc2c1 761075059 MPFZXKTVXBTEKL-UHFFFAOYSA-N 232.304 3.634 30 20 BHED C[C@H](NN=Cc1cc2ccccc2o1)C(C)(C)C 793114653 IGEMQWCDURWXDD-NSHDSACASA-N 244.338 3.791 30 20 BHED CC[C@H](C)CON=C(C)c1ccccc1F 793159304 MUNDKMKOFRSGTP-JTQLQIEISA-N 223.291 3.612 30 20 BHED C=CC[C@H](NC[C@@H](C)C(C)(C)C)c1ccncc1 802645326 NGOVONYSLKTKAP-HIFRSBDPSA-N 246.398 3.971 30 20 BHED CC[C@H](C)NN=C(C)[C@@H]1CCCC[C@H]1C 834973338 NVUAQNHNIUWYJB-NTZNESFSSA-N 210.365 3.577 30 20 BHED C=CC[C@@H]1CCCCC1=NOCC(F)(F)F 853321337 LLHMLEZZISKSSA-SECBINFHSA-N 235.249 3.688 30 20 BHED C=CC[C@H](CC)NCc1cccc2ncccc12 873120781 ZWEXFCXXQCZCJZ-AWEZNQCLSA-N 240.350 3.679 30 20 BHED CCc1ccc([C@H](CC)NCC2(C#N)CC2)cc1 903102085 RVQREFYOXMOZAD-HNNXBMFYSA-N 242.366 3.593 30 20 BHED CCCCCCCC(=O)NCc1ccoc1C 919758938 JLTKRJOPPYZCPR-UHFFFAOYSA-N 237.343 3.565 30 20 BHED CCC(=NOC(C)(C)C)c1ccc(OC)cc1 1319583456 NDYKUZOCZLIEDJ-UHFFFAOYSA-N 235.327 3.624 30 20 BHED CCCC[C@H](CC)CNc1ncc(C#N)cc1F 1458091470 IBSOIVZKNLKTPT-NSHDSACASA-N 249.333 3.721 30 20 BHED CCc1ccc(COc2cccc(C#N)c2)cc1 49961535 HBKXIYNPSMJLJW-UHFFFAOYSA-N 237.302 3.700 30 20 BHED C=C[C@H](C)N[C@H](C)c1cc(C)cc(C)c1 157219144 FIUODFANZAXHBE-QWHCGFSZSA-N 203.329 3.529 30 20 BHED C=CCCCC(=O)Nc1ccc(C#N)c(Cl)c1 175599810 ZGCWSDBXROOOIA-UHFFFAOYSA-N 248.713 3.506 30 20 BHED C=CCCC(=O)N(Cc1ccccc1)C(C)(C)C 180443514 WXQUSPCNNQYOFU-UHFFFAOYSA-N 245.366 3.780 30 20 BHED CC#CCCCC(=O)Nc1cccc(C)c1Cl 185742885 APXXXXMRVZWALZ-UHFFFAOYSA-N 249.741 3.781 30 20 BHED C=C(C)CN(C)[C@H](C)c1ccccc1C 193425932 GSYDHUKDXZRTQY-CYBMUJFWSA-N 203.329 3.564 30 20 BHED C=C(C)CN(CC)[C@H](C)c1ccc(F)cc1F 195732914 LRQDUBYQEFIKCV-LLVKDONJSA-N 239.309 3.924 30 20 BHED C[C@@H]1CC[C@@H](Nc2cc(F)cc(C#N)c2)[C@H](C)C1 299933613 KSGVNZBLTVOXPF-UEKVPHQBSA-N 246.329 3.934 30 20 BHED C=CCSCCN[C@@H](CCC(C)C)C1CC1 304385151 XIMNFAXYFJOECS-AWEZNQCLSA-N 241.444 3.710 30 20 BHED C[C@@H]1CCC[C@H](COc2ccccc2C#N)C1 305977005 QSESVVZSYJJWDW-OLZOCXBDSA-N 229.323 3.763 30 20 BHED C=CC[C@H](CC)NC1C[C@@H](C)C[C@H](C)C1 309068152 ALFHZLVPIIIMEW-AVGNSLFASA-N 209.377 3.755 30 20 BHED C[C@H](Sc1cccc(C#N)c1)c1cccnc1 335756359 OZLOLOPLVMGMBH-NSHDSACASA-N 240.331 3.807 30 20 BHED CC[C@@H]1CCCC[C@H]1c1noc(CCCC#N)n1 341173311 ONYOFZANGSOEFA-VXGBXAGGSA-N 247.342 3.600 30 20 BHED C=C(C)CNCc1ccc(C2CCC2)cc1 378849222 CQKDEHMEHIWXKO-UHFFFAOYSA-N 215.340 3.620 30 20 BHED CC[C@@H](Nc1ccc(C#N)cc1)C(C)(C)C 390583096 XKKGCWDHRSBLFM-CYBMUJFWSA-N 216.328 3.795 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1nc(C)cs1 393763945 OMUVAJMPIUMHSZ-ZYHUDNBSSA-N 238.400 3.847 30 20 BHED C=CC[C@H](CC)NC[C@@H]1C[C@H]1c1ccccc1 418050748 WYBLDJCIVIBFHO-JYJNAYRXSA-N 229.367 3.734 30 20 BHED CC(C)(C)[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)CC1 429678634 GGSKMRILFRYIAP-RBSFLKMASA-N 248.414 3.827 30 20 BHED C=CCC(C)(C)C(=O)Nc1cc(C)ccc1C 431251379 QNBAPGADUHJZFO-UHFFFAOYSA-N 231.339 3.844 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCOc2c(F)cccc21 437097148 ZUZBBBSPBMIAKR-SMDDNHRTSA-N 249.329 3.594 30 20 BHED CC[C@H](F)CSCc1cc(F)ccc1C#N 442557149 ZLTHSBSZNRERKQ-NSHDSACASA-N 241.306 3.679 30 20 BHED C=CC[C@@H](C)NC(=O)Nc1ccc2ccoc2c1 443367090 BDBXLLBGHWHWLO-SNVBAGLBSA-N 244.294 3.519 30 20 BHED C=CCC1(C(=O)Nc2cc(C)cc(C)c2)CCC1 478239825 VMIFKNMAQCLXOU-UHFFFAOYSA-N 243.350 3.988 30 20 BHED C=CCCN1CCC(C)(c2ccccc2)CC1 510755743 XCORBKWONMEKSD-UHFFFAOYSA-N 229.367 3.616 30 20 BHED Cc1ccccc1Sc1snc(C)c1C#N 521101877 XVUZJYIAZFAQBG-UHFFFAOYSA-N 246.360 3.783 30 20 BHED CCCN(Cc1ccc(C)cc1)CC1(C#N)CC1 537258779 IVGZIAOOFCQYES-UHFFFAOYSA-N 242.366 3.511 30 20 BHED CC/C=C\CCOc1ccc(C#N)cc1C 545974621 SWIIMNOEJJFEES-PLNGDYQASA-N 215.296 3.602 30 20 BHED C=CCCN(C)C/C(C)=C/c1ccccc1 558831247 IIZVSAGOWRKANG-WYMLVPIESA-N 215.340 3.598 30 20 BHED CCC[C@@H](CC)Sc1nnc(C)c(C)c1C#N 561317414 DLKYVYBXTPCDQL-LLVKDONJSA-N 249.383 3.636 30 20 BHED C=CCCC1(c2nc(-c3ccc(C)o3)no2)CC1 561913437 PAAJHQUUCZBXCK-UHFFFAOYSA-N 244.294 3.636 30 20 BHED CC(C)[C@H](C)SCc1ccc(C#N)s1 568648196 VBQQWRINZPXBOJ-VIFPVBQESA-N 225.382 3.897 30 20 BHED C=CCN(CC=C)C(=O)CCCCC(C)(C)C 573154342 VSMJLSABCOFQDT-UHFFFAOYSA-N 237.387 3.794 30 20 BHED CCCN(CC(C)C)[C@H](C#N)c1ccccc1 595296862 MPMUJOSVYKXSGD-OAHLLOKOSA-N 230.355 3.619 30 20 BHED C#CCCCOC(=O)C[C@@H](CC)c1ccccc1 729073539 YXBRJOLLSWOSHF-CQSZACIVSA-N 244.334 3.527 30 20 BHED CCCCCC[C@@H](C)NN=Cc1ccc(C)o1 743451061 YVCOPJKCWTZJJM-GFCCVEGCSA-N 236.359 3.870 30 20 BHED Cc1cccc(NN=Cc2ccc(F)cc2C)c1 750912461 OIMDDIRZJZZIOF-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C=CCCC(CC)=NNc1ccc(F)cc1 750916593 OTDWEIUVDGYYTC-UHFFFAOYSA-N 220.291 3.970 30 20 BHED CC1(C)CCC[C@H](C=NO[C@@H]2CCCCO2)C1 755821153 PMGSUAGHOHYZEG-QWHCGFSZSA-N 239.359 3.732 30 20 BHED CCC(CC)C(=O)O[C@@H](C)c1cccc(C#N)c1 764615195 WFQBNHMEBYUXCB-NSHDSACASA-N 245.322 3.599 30 20 BHED Cc1ccnc(NN=C[C@@H]2CCCC[C@@H]2C)c1 783856075 WNUXFRCNRZHTGZ-STQMWFEESA-N 231.343 3.614 30 20 BHED C[C@H]1CC[C@@H](C=NNc2ncccc2Cl)C1 800810816 VQVPBGJCOXUCMO-VHSXEESVSA-N 237.734 3.569 30 20 BHED FCCC[C@@H]1CCCC1=NOC1CCCC1 800815320 TXEXGGQKAXBEQO-NSHDSACASA-N 227.323 3.851 30 20 BHED CC(C)(C#N)[C@@H]1CCCC1=NOC1CCCC1 814895125 UVPJESNVGWIXNU-GFCCVEGCSA-N 234.343 3.651 30 20 BHED CCC(CC)CNN=C1CC[C@H]1C1CCC1 814906440 VHCHOSXBAZJRDY-ZDUSSCGKSA-N 222.376 3.578 30 20 BHED CCc1cccc(C)c1NN=C[C@@](C)(CC)OC 834977905 ZCGOVBGZVOFADU-OAHLLOKOSA-N 248.370 3.770 30 20 BHED C=CC[C@H](Cc1ccccc1)N[C@H]1CC[C@@H]1C 840888035 VHUJHSAIMUYUTG-IMJJTQAJSA-N 229.367 3.562 30 20 BHED C[C@H]1CCCCCC1=NNc1cccc(F)n1 844597165 SLGAVYDQTVVFLC-JTQLQIEISA-N 235.306 3.589 30 20 BHED CCCCCCCNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12 862354966 BILMZUKGDMGIKE-RDBSUJKOSA-N 237.387 3.509 30 20 BHED CC(C)c1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cn1 903340656 XESHMJBQFKSJKV-CHWSQXEVSA-N 243.354 3.699 30 20 BHED CSc1ccc(C=NNc2ccccc2)cc1 916245962 POZVLVFRTDGIOA-UHFFFAOYSA-N 242.347 3.855 30 20 BHED Cc1ccc(C=NNc2cccc(F)c2)c(C)c1 920384521 WJNGTCCYEKIPHX-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C[C@H](NCC(C)(C)C#N)c1coc2ccccc12 926873829 JJUJPWIJLBKEDN-NSHDSACASA-N 242.322 3.633 30 20 BHED C[C@@H](c1ccccc1)[C@@H]1CCCN1CCCC#N 932276922 YHFDPPBVRAARNR-HOCLYGCPSA-N 242.366 3.558 30 20 BHED CC(=NOC(C)(C)C)c1nccc2ccccc12 1323990867 KGDQNCILLDJGGI-UHFFFAOYSA-N 242.322 3.774 30 20 BHED C=CCC(C)(C)c1nnc(-c2ccccc2C)o1 1326971821 COTPCENRLXCYJX-UHFFFAOYSA-N 242.322 3.899 30 20 BHED C[C@@H]1CCCC[C@H]1N(C)Cc1cccc(C#N)c1 55386627 ZLALQEINLGODHN-CZUORRHYSA-N 242.366 3.569 30 20 BHED Cc1cccc(C)c1CN(CC#N)C1CCCC1 96811202 SXSCVTNNUUVNQF-UHFFFAOYSA-N 242.366 3.572 30 20 BHED C=CCCCS[C@H](C)c1nc(C(C)C)no1 117943614 ZQEYSBYUENMSTA-SNVBAGLBSA-N 240.372 3.953 30 20 BHED CCCCCCCN(C)CCC1CCOCC1 120547193 ZTNCEEFTEKMSEE-UHFFFAOYSA-N 241.419 3.705 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccccc1C(F)(F)F 132678294 JNAIIAHNRXBPCA-VHSXEESVSA-N 243.272 3.931 30 20 BHED C=C(Cl)CN[C@@H](CC)c1ccc(C)cc1 135833911 QWGFZIMFRRFLDZ-ZDUSSCGKSA-N 223.747 3.788 30 20 BHED C=CC[C@H](C)NCC1CCC(C(F)(F)F)CC1 183712582 SDOLBBLIWPKCOU-UNXYVOJBSA-N 249.320 3.909 30 20 BHED CC#CCCCC(=O)N(CC)[C@H]1CCCC[C@H]1C 185641666 DXDWRASNGOFZMN-CABCVRRESA-N 249.398 3.607 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H](C)C[C@@H](C)CC 188460380 DWIXPMHJJKTMKQ-OUCADQQQSA-N 225.376 3.530 30 20 BHED C#CCCCCN[C@@H](CC)c1ccc(C)cc1 222291914 GYISRIKQODAQIY-INIZCTEOSA-N 229.367 3.839 30 20 BHED C[C@@H](Nc1nccc(C#N)c1Cl)C1CCCC1 235284428 FWJWIGRIXJQWHV-SECBINFHSA-N 249.745 3.597 30 20 BHED C=CCN1CCCCC[C@H]1c1ccc(OC)cc1 248253925 QYJABJLALQABTJ-INIZCTEOSA-N 245.366 3.798 30 20 BHED CON(CCCCC(C)(C)C#N)CC(C)(C)C 310555884 YGHCIGGGOYTWST-UHFFFAOYSA-N 240.391 3.616 30 20 BHED CC(C)C[C@@H](NCC1(C#N)CC1)c1ccccc1 343568030 XULPZZXJMSNNBE-OAHLLOKOSA-N 242.366 3.667 30 20 BHED CC(C)(C#N)CCNc1ccc2scnc2c1 345410573 LWROSIINLLOFCK-UHFFFAOYSA-N 245.351 3.648 30 20 BHED CC(C)CSCc1ccc(CC#N)cc1 399014282 DZWLIXPTKSFFQS-UHFFFAOYSA-N 219.353 3.642 30 20 BHED CC1(C)Cc2cccc(CSCCC#N)c2O1 413010467 GRPXLZBWOHTRTD-UHFFFAOYSA-N 247.363 3.547 30 20 BHED C[C@@H](CC1CCCCC1)N[C@@H]1CC[C@H](C#N)C1 442861047 MCYNYCNKUQIKDM-AEGPPILISA-N 234.387 3.627 30 20 BHED C=CCCCC[C@H](C)NC[C@H]1CCCSC1 449332833 SUEPTCRHPCEXNR-UONOGXRCSA-N 241.444 3.854 30 20 BHED C=CCC1(NCc2ccc(C)cn2)CCCCC1 449575831 OJTYZBMNTBZCHW-UHFFFAOYSA-N 244.382 3.759 30 20 BHED CCCC[C@H]1CCC[C@@H]1NCC1(C#N)CCC1 450731086 XDFMUKODYALGJR-KBPBESRZSA-N 234.387 3.629 30 20 BHED C=CCCCCNC(=O)C1C[C@@H](C)C[C@H](C)C1 471716626 NPXSUHJZHTYTPI-STQMWFEESA-N 237.387 3.531 30 20 BHED C=C(CC)Cn1ccc(-c2ccccc2)n1 516201428 IOUZMZKSEUVNOB-UHFFFAOYSA-N 212.296 3.516 30 20 BHED CC(C)(C#N)CCN[C@H](c1cccs1)C1CC1 542512496 PXIBXOMXEARBGO-ZDUSSCGKSA-N 248.395 3.729 30 20 BHED CCCN(Cc1ccccc1)C[C@H](C)CCC#N 602431810 GWWBIXVLWMJGQU-OAHLLOKOSA-N 244.382 3.838 30 20 BHED C=CCC1(NC(=O)[C@@H](C)[C@H](C)CC)CCCC1 619111237 RSDRAFZUAQXQBC-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C=CC[C@H]1CCCC[C@H]1NCC(C)(C)OCC 657983836 YFTAWWQLAWNZFJ-UONOGXRCSA-N 239.403 3.526 30 20 BHED C[C@@H]1CCCC1=NNc1ccc(F)cc1F 729141099 SHXVCEWXRVLDOL-MRVPVSSYSA-N 224.254 3.553 30 20 BHED CCC[C@@H](C)C(=O)O[C@H](C)c1cccc(C#N)c1 744099813 CCVUMYIHRPKUJJ-VXGBXAGGSA-N 245.322 3.599 30 20 BHED CCC1(C)CCC(=NNc2ccc(C)nn2)CC1 751528405 FZLXBGYDLMVQKV-UHFFFAOYSA-N 246.358 3.543 30 20 BHED C=CC[C@H](NC[C@@H]1CC=CCC1)c1ccncc1 752079686 KGDNAIROXYWLSY-ZBFHGGJFSA-N 242.366 3.645 30 20 BHED C#CCCCN(C)[C@H](C)Cc1ccc(Cl)cc1 766906044 MVXPTUKXGPRTCK-CYBMUJFWSA-N 249.785 3.616 30 20 BHED C#CCCNC(C)(c1ccccc1)c1ccccc1 775365703 QBJOJMNXMHWRSU-UHFFFAOYSA-N 249.357 3.563 30 20 BHED C=C(C)COC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 794004170 NAQXSDRXVNFKFD-DZGCQCFKSA-N 246.350 3.936 30 20 BHED C=CCC(C)(C)C(=O)OC/C=C/c1ccccc1 796474421 QMWNSISJNCREDI-DHZHZOJOSA-N 244.334 3.845 30 20 BHED CCc1cccc(C)c1NN=C[C@H](C)CCC#N 799492334 PHNAFANFBOYINR-GFCCVEGCSA-N 243.354 3.895 30 20 BHED CC(C)=CCC[C@H](C)CC(=O)OCC1(C#N)CC1 830089996 ADJYNEPHTDYBLO-ZDUSSCGKSA-N 249.354 3.606 30 20 BHED Cc1cccc(NN=C2CCC[C@@H]3C[C@H]23)c1 841602280 FVSVJHCGGHFYIX-YPMHNXCESA-N 214.312 3.583 30 20 BHED CCC(=NOCc1ccccc1OC)[C@H]1C[C@H]1C 841636341 KNPWOXRJTPHBFB-YPMHNXCESA-N 247.338 3.634 30 20 BHED CC(=NO[C@H]1CCCCO1)[C@H]1C[C@H]2C=C[C@H]1CC2 842530419 LZOVWLXVRNNYRM-XQLPTFJDSA-N 249.354 3.508 30 20 BHED C[C@H](NCC(C)(C)C#N)c1cccc(C2CC2)c1 903101118 AFMHUNJQEPPRSV-LBPRGKRZSA-N 242.366 3.764 30 20 BHED C=CCC1(CNCc2ncccc2C)CCCC1 1117747262 DEIWBVMGAWKPGT-UHFFFAOYSA-N 244.382 3.616 30 20 BHED CC(C)(C)ON=Cc1cccc(Cl)c1F 1253789777 VUHPYGASRRMRSR-UHFFFAOYSA-N 229.682 3.628 30 20 BHED C=C(Cl)CN(c1ccccc1OC)C(C)C 1307814624 ZXTQZTSANNUYAK-UHFFFAOYSA-N 239.746 3.663 30 20 BHED C[C@H](CCNc1cccc(C#N)n1)CC(C)(C)C 1642572328 VNTMXABJGDIUHD-GFCCVEGCSA-N 245.370 3.828 30 20 BHED CCCCCCCNc1cccc(CO)c1 59451592 XDBJSPDPVVTSHH-UHFFFAOYSA-N 221.344 3.561 30 20 BHED C#CCCCCC(=O)N(CCCC)[C@@H](C)CC 120120720 UAEANGPPXKUGPQ-AWEZNQCLSA-N 237.387 3.607 30 20 BHED C=CCCCC(=O)N[C@@H](CC)c1cccs1 175387216 UFVIODJDKOCENE-NSHDSACASA-N 237.368 3.672 30 20 BHED C=CC[C@@H](C(=O)N(C)CCCC)c1ccccc1 186486669 XCFMVMNAXPLWNP-OAHLLOKOSA-N 245.366 3.605 30 20 BHED COc1ccc(C)cc1CS[C@@H](C)CCC#N 188324398 VJXUYWDSTDCLBX-LBPRGKRZSA-N 249.379 3.929 30 20 BHED CCCCCCCCS(=O)(=O)CCC(C)C 216443371 JEJXMIYJCKRDPZ-UHFFFAOYSA-N 248.432 3.808 30 20 BHED Cc1ccccc1COc1ccc(C#N)cc1F 225240773 GGANWBVZTGHRMT-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=CC[C@H](C)[C@H](C)NCC(C)(C)c1ccccn1 294666528 AMVFBMKDKIIJLN-KBPBESRZSA-N 246.398 3.550 30 20 BHED C=CCN(CC=C)C(=O)CCCC1CCCCC1 301324226 IRUNXZWVTNAPPH-UHFFFAOYSA-N 249.398 3.938 30 20 BHED C=CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 309812401 UOIZIMMEZSLZFQ-LERXQTSPSA-N 235.758 3.813 30 20 BHED C=CCC[C@@H](C)N[C@@H](C1CCC1)C1CC1 325044846 NQDCAIOKILITNB-RISCZKNCSA-N 207.361 3.509 30 20 BHED CC1CCC(Nc2ncc(C#N)cc2Cl)CC1 341927544 CZCCSJQGFLEYSO-UHFFFAOYSA-N 249.745 3.597 30 20 BHED C=C(C)CCSC[C@H]1CC1(Cl)Cl 379323248 OQRGQOSNDAIFLO-MRVPVSSYSA-N 225.184 3.880 30 20 BHED C[C@H](CCN[C@H]1CC[C@H](C#N)C1)CC(C)(C)C 442864535 CWNZPECIOBPXEV-RDBSUJKOSA-N 236.403 3.731 30 20 BHED C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@H]1CCC[C@@H](C)C1 449765656 JVWLCVAUPMFVJU-DGADGQDISA-N 248.414 3.873 30 20 BHED C=CCCCCN[C@@H](Cc1ccccc1)C1CC1 471598323 VSZJEEATBILJHM-KRWDZBQOSA-N 243.394 3.954 30 20 BHED C=C(C)CN(CC)C(=O)[C@](C)(CC)CCC 474789914 GZVSDESVYYVIFA-CQSZACIVSA-N 225.376 3.627 30 20 BHED C=C(CC)CSc1nnc(SCC)s1 536898754 VCWTWSTYHYOCBY-UHFFFAOYSA-N 246.426 3.708 30 20 BHED C=CCCCCN1CCC(c2ccncc2)CC1 562534746 PTGKSYDKALZPGP-UHFFFAOYSA-N 244.382 3.617 30 20 BHED CCCC1CCC(NC[C@@H](C)CCC#N)CC1 602519865 CAZCPMNJWPSOIF-NFOMZHRRSA-N 236.403 3.875 30 20 BHED C=CC[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 617789050 XQKYHKZXMCIOGC-OAHLLOKOSA-N 249.398 3.772 30 20 BHED C=C(CN[C@@H](C)CC1CCC1)c1ccccc1 675784205 WKERPNLHZBLYRY-AWEZNQCLSA-N 229.367 3.868 30 20 BHED C=CCCCCNCc1cc2ccccc2[nH]1 683930344 JIQKRYGPXGAFGI-UHFFFAOYSA-N 228.339 3.614 30 20 BHED C=CCCCOC(=O)[C@@H](CC)Cc1ccccc1 735534807 APFKMTZAMDUWOE-HNNXBMFYSA-N 246.350 3.765 30 20 BHED CCCC=NNc1ncnc2sc(C)c(C)c12 755520826 HUYZVHFTKRZBKG-UHFFFAOYSA-N 248.355 3.506 30 20 BHED C#CCCCN1[C@H](C)Cc2cc(F)ccc2[C@H]1C 769953510 KWDYYMOVHDGVJN-CHWSQXEVSA-N 245.341 3.547 30 20 BHED C=CC[C@H](C)C(C)=NNc1nccnc1C(C)C 773090000 DHKJVTZAARIVHR-NSHDSACASA-N 246.358 3.600 30 20 BHED CCCC(CC)=NNc1nc2ccccc2n1C 776186458 SFBSCOPWFSHPEG-UHFFFAOYSA-N 244.342 3.551 30 20 BHED C[C@@H]1CC(C)(C)CCC1=NNc1ccnc(F)c1 781133304 CFWYXWCAJFWBMR-SNVBAGLBSA-N 249.333 3.835 30 20 BHED Clc1ccc(C=NNC2CCCCC2)s1 786041186 XPROLEZLNOXSIS-UHFFFAOYSA-N 242.775 3.658 30 20 BHED CC(=NOC/C=C\Cl)c1ccc(C)cc1C 811671166 AYHDEHGSYMJKIT-OIUWJUBLSA-N 237.730 3.797 30 20 BHED Cc1ccc2c(C=NOCCC3CC3)c[nH]c2c1 814245584 YRUPXMVTNZXHID-UHFFFAOYSA-N 242.322 3.627 30 20 BHED C=CCON=C[C@H](C)c1cccc(Cl)c1 835013022 DRESLLOKJZNJAK-JTQLQIEISA-N 223.703 3.632 30 20 BHED C=C(C)CCNC(=O)C=C(CCC)CCC 836824375 CALHGPOUCJLVLK-UHFFFAOYSA-N 223.360 3.595 30 20 BHED C[C@H]1CCCCCC1=NNc1ccnc(F)c1 844589066 CVNKPSRLVQCJNE-JTQLQIEISA-N 235.306 3.589 30 20 BHED N#C[C@@H](c1ccccc1)N1CCCCCCC1 851713038 ADYZUROZFOCYSN-HNNXBMFYSA-N 228.339 3.517 30 20 BHED CCCCCCCNC(=O)[C@H]1CCC(F)(F)C1 862357550 YCFDDNFBVXPYNN-NSHDSACASA-N 247.329 3.508 30 20 BHED C=CCC[C@@H](CC)N[C@@H](c1ccncc1)C1CC1 898322409 KUAGTFAZRYAARV-HZPDHXFCSA-N 244.382 3.867 30 20 BHED C=C(C)CCC(=O)Nc1c(C)cccc1Cl 1121037193 DYCPWJMQPLOEAY-UHFFFAOYSA-N 237.730 3.943 30 20 BHED Cc1cc(C)cc(/C=C\c2cc(C#N)ccn2)c1 1339547158 AUBFBHLKOFVFMG-ARJAWSKDSA-N 234.302 3.741 30 20 BHED CCOc1ccccc1C(C)=NOC(C)(C)C 1341311199 XIOZMFBAQWARCP-UHFFFAOYSA-N 235.327 3.624 30 20 BHED Cc1cc(SCC2CCCCC2)ncc1C#N 1655033423 NPWMQOBNVPHHDB-UHFFFAOYSA-N 246.379 3.934 30 20 BHED C=C(C)CSc1nc2ccc(C)cc2[nH]1 5818407 RJXNBPORTQMARU-UHFFFAOYSA-N 218.325 3.540 30 20 BHED Cc1ccccc1C(=O)/C=C/c1cccc(O)c1 8322510 KDKLKICVOANOGC-MDZDMXLPSA-N 238.286 3.597 30 20 BHED CCOc1cc(C#N)ccc1OCCC(C)(C)C 42274529 NRXKRQYWPGFEMV-UHFFFAOYSA-N 247.338 3.772 30 20 BHED CC(C)c1ccc(CN(C)[C@H](C)CC#N)cc1 58575350 YYHWWXSAUVMVDR-CYBMUJFWSA-N 230.355 3.544 30 20 BHED C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC#N 69071385 KLDMJZLTRFHAMG-QMMMGPOBSA-N 243.137 3.510 30 20 BHED CC[C@@H]1CCC[C@@H](Nc2cccc(C#N)c2)C1 71105729 JQXIWYCVGFMXTP-TZMCWYRMSA-N 228.339 3.939 30 20 BHED CC[C@@H](C)CN(CC)CCCC(C)(C)C#N 93250960 MSDZOGIENJTQGA-CYBMUJFWSA-N 224.392 3.684 30 20 BHED CCCCCCCCCN[C@H](C)[C@@H]1CCOC1 128615303 DJSNTWMAEASOPR-HUUCEWRRSA-N 241.419 3.752 30 20 BHED CC(C)CN(CCCCC#N)CC(C)(C)C 134461317 BGIICPWEMJYWDE-UHFFFAOYSA-N 224.392 3.684 30 20 BHED Cc1ccc(NCc2ccc(C#N)s2)cc1F 155656014 YVBJYCSRSNZUOF-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C=CCN[C@@H](C)c1nc(-c2ccccc2)cs1 159839756 SKKUIWGCGJSMEG-NSHDSACASA-N 244.363 3.647 30 20 BHED C=CCCCC(=O)N1CCC[C@@H]1c1ccccc1 175187937 XLURKIYRQRPWFF-OAHLLOKOSA-N 243.350 3.706 30 20 BHED Cc1cccc([C@H](C)NCCCCC#N)c1C 178641932 SHKBWUWECXXIFO-AWEZNQCLSA-N 230.355 3.648 30 20 BHED C=CC[C@@H](C)[C@H](C)NCCCCCSC 186776894 UFYKIZIJZMKLEQ-OLZOCXBDSA-N 229.433 3.710 30 20 BHED CCC(C)(C)CN[C@@H](C)c1ccc(C#N)cc1 189991376 FOEKNQIIBNABMB-LBPRGKRZSA-N 230.355 3.645 30 20 BHED C[C@@H](NCC(C)(C)CCC#N)c1ccccc1 229667469 HFMTWGHWPGCGNF-CYBMUJFWSA-N 230.355 3.667 30 20 BHED C[C@H](C#N)CN[C@H]1CCCC[C@H]1C1CCCCC1 251138222 VWTNMBFUVFIYHP-KBMXLJTQSA-N 248.414 3.875 30 20 BHED N#C[C@H]1CC[C@@H](Sc2ccccc2F)C1 278510245 DYZTWJWUVZSSCS-VHSXEESVSA-N 221.300 3.610 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1cc(C)ccn1 293737954 PAMSRQSYQGRWKX-CYBMUJFWSA-N 232.371 3.643 30 20 BHED C=CCCCCNc1nnc(C(C)(C)C)s1 302241383 IKEGUJFDFFWWGU-UHFFFAOYSA-N 239.388 3.604 30 20 BHED C=C(C)CN1CCC[C@@H](c2ccccc2)CC1 303224540 WBWIIXVUHNYEDE-MRXNPFEDSA-N 229.367 3.832 30 20 BHED C/C(=C\Cl)C[C@]1(C=O)CC[C@H](C)C1 307034508 SVOBAWHVJMMCOB-YCPUKSTGSA-N 200.709 3.524 30 20 BHED C=CCCNc1ccc(C)c(OC(F)F)c1 309685657 HIKONFVLDWFFBH-UHFFFAOYSA-N 227.254 3.584 30 20 BHED C=C[C@H](C)N[C@H](CC)c1cccc(Cl)c1O 310017289 LJOLSXQCODNBPA-JOYOIKCWSA-N 239.746 3.661 30 20 BHED CC1(C#N)CCC(Nc2cccc(F)c2)CC1 336215635 MJXPAKFBPCENIM-UHFFFAOYSA-N 232.302 3.710 30 20 BHED C=CCCNc1cc(F)c(SC)c(F)c1 336737917 QSYZOVDBVSAUTN-UHFFFAOYSA-N 229.295 3.675 30 20 BHED C=CCC(C)(C)c1noc([C@@H]2CC[C@H](C)C2)n1 340782035 WKGVHNFVJISRBR-WDEREUQCSA-N 234.343 3.827 30 20 BHED CCCN(Cc1ccc(CC#N)cc1)CC(C)C 399099177 ZPPYKIRSKYJYHV-UHFFFAOYSA-N 244.382 3.621 30 20 BHED C=C(C)C(C)(C)c1nc(C2CCCC2)no1 424223088 OJPOCAYTFICEHT-UHFFFAOYSA-N 220.316 3.581 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(/C=C\C)cc1 451769471 LWXMCVRIEIQNGE-ALCCZGGFSA-N 229.323 3.870 30 20 BHED C=CC(C)(C)CNC(=O)CCCC1CCCC1 452776922 SXCNFHREKLRUFB-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=C(C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C 453314716 IMZJHNGFGCUACI-GFCCVEGCSA-N 248.326 3.520 30 20 BHED C=CCCCOc1ccnc2cc(OC)ccc12 465016173 ZYCDIGZXUJPHDT-UHFFFAOYSA-N 243.306 3.588 30 20 BHED C=CC[C@H](CC)N[C@@H]1C[C@H](OC(C)C)C1(C)C 467411054 LZYGZMYLLKHNPL-MJBXVCDLSA-N 239.403 3.523 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[C@@H]1CC 477114264 PAJLIEDATNPEBG-RRFJBIMHSA-N 249.398 3.770 30 20 BHED C=C(C)CCc1noc(C[C@H](CC)C(C)C)n1 508607867 DLSLLRYUVHXKHH-LBPRGKRZSA-N 236.359 3.803 30 20 BHED C=CCN(CC)Cc1ccc2ccccc2c1 514005083 ATGBBIFCFFWRGP-UHFFFAOYSA-N 225.335 3.848 30 20 BHED C=CCCCCSCCn1nc(C)cc1C 515187317 YOSPJRWANSBWTF-UHFFFAOYSA-N 238.400 3.589 30 20 BHED C=C(CC)CN(Cc1cccc(O)c1)CC1CC1 538003201 WWJSMHRDNKEKIH-UHFFFAOYSA-N 245.366 3.570 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1cc(C)ccn1 552063932 RXIYKKSFVMOEFE-KGLIPLIRSA-N 232.371 3.785 30 20 BHED CC(C)N(CCC#N)Cc1cccc(C2CC2)c1 565592344 DYBFHYAPNHKVPF-UHFFFAOYSA-N 242.366 3.688 30 20 BHED C=CCCCCCNc1cccc2c1OCO2 583302250 MYINPTGNQIBZEH-UHFFFAOYSA-N 233.311 3.574 30 20 BHED C[C@@H]1CCC[C@H](N[C@H](C#N)c2ccccc2)[C@@H]1C 595439421 HGSVPSLIOOQQQJ-LUYZLQTOSA-N 242.366 3.666 30 20 BHED C=CCC1(NC(=O)c2cc(C)c(C)o2)CCCC1 619107448 BBPKOVGARABMFG-UHFFFAOYSA-N 247.338 3.515 30 20 BHED Cc1ccccc1[C@@H](C)N[C@H](C)CC(C)(C)C#N 695776725 FFGRQFWJPTXXGH-ZIAGYGMSSA-N 244.382 3.974 30 20 BHED C=CCCC(=O)O[C@H](C)CCc1ccccc1 726656596 VYUVYPOZVVYUHS-CYBMUJFWSA-N 232.323 3.517 30 20 BHED C=CCOC(=O)[C@@H](CCC)CC1CCCC1 733603166 FUFCJTWXUQSEFN-ZDUSSCGKSA-N 224.344 3.712 30 20 BHED CCC(CC)NN=Cc1cc(C)n(C2CC2)c1C 734366518 VSFVPKKTGAJMBQ-UHFFFAOYSA-N 247.386 3.552 30 20 BHED Cc1cc(F)ccc1NN=C1CCC[C@@H]1C 750938342 FVNBHBSLWQBFIT-VIFPVBQESA-N 220.291 3.722 30 20 BHED CC(C)O[C@@H]1CC(=NOC2CCCC2)C1(C)C 764906999 BEAQMJIZZDCHPP-CYBMUJFWSA-N 239.359 3.525 30 20 BHED CC1(C)CCCC[C@H]1NN=C1CC(C(F)F)C1 773125466 NBDFEFKWBUXORL-HCCKASOXSA-N 244.329 3.576 30 20 BHED CCCCCCCC(=O)N(C)c1ccnc(C)c1 782115836 SUCFSAIUNMAUHO-UHFFFAOYSA-N 248.370 3.713 30 20 BHED CC(=NN[C@H]1CCCC1(C)C)C1CCCC1 782300003 KICBOMKFXBDJFX-ZDUSSCGKSA-N 222.376 3.721 30 20 BHED CC[C@H](C)CON=C(CC(C)C)c1ccccn1 793157765 CPSTVHMGBSOSCI-ZDUSSCGKSA-N 248.370 3.895 30 20 BHED c1ccc([C@H]2CCCC2=NOC2CCCC2)nc1 794922991 VJSNLZWLWBYCQC-CYBMUJFWSA-N 244.338 3.664 30 20 BHED CCCC(=NOC[C@H](C)CC)c1cccnc1 814939550 VISDRDLEXIULGP-GFCCVEGCSA-N 234.343 3.649 30 20 BHED N#C[C@@H]1CCC[C@H](OC(=O)CC2CCCCC2)C1 839041526 DJFHEEXGLFHXHA-KGLIPLIRSA-N 249.354 3.582 30 20 BHED C=C[C@H](C)ON=C[C@@H](C)c1ccc(F)cc1 844620914 ASNREUKKUCIHGH-MNOVXSKESA-N 221.275 3.506 30 20 BHED C=CCN(C(=O)/C=C(/C)c1cccs1)C(C)C 857576139 CFWJUVCXUKPOCB-BENRWUELSA-N 249.379 3.574 30 20 BHED C=CC(C)(C)CC(=O)N1CC[C@@H]1c1ccccc1 878227685 ZGULUPVZGNXYTB-CQSZACIVSA-N 243.350 3.562 30 20 BHED CCCCCCCCOC(=O)c1ccc(C)nc1 918493945 HRXBUKHVFGHAIX-UHFFFAOYSA-N 249.354 3.907 30 20 BHED CC(C)(C)C/N=C/c1cc(Cl)ccc1O 920175021 SKQWQUGXFFEASQ-VGOFMYFVSA-N 225.719 3.511 30 20 BHED C=C(C)CCC(=O)Nc1cc(Cl)ccc1C 1346192234 TWCJSUUQRQKVMC-UHFFFAOYSA-N 237.730 3.943 30 20 BHED CC#CCSc1cc(C)c2ccccc2n1 97599324 VEKBDAPCSZUANU-UHFFFAOYSA-N 227.332 3.659 30 20 BHED C=CCC[C@H](NC(=O)[C@@H](C)CC)c1ccccc1 133937240 CNYFBXLWPNRXCY-ZFWWWQNUSA-N 245.366 3.856 30 20 BHED C#CCCCCC(=O)N[C@@H](CCCC)C1CCC1 180361483 HGKVKXQDWJFKDC-HNNXBMFYSA-N 249.398 3.655 30 20 BHED C=C(C)CN(CC)[C@H](C)Cc1ccsc1 182952526 WZKLYEMVZDVDNL-GFCCVEGCSA-N 223.385 3.577 30 20 BHED N#Cc1cccc(/C=C\C(=O)C2CCCCC2)c1 254980044 PEVPPSXIQYGWLO-KTKRTIGZSA-N 239.318 3.721 30 20 BHED C=CCCCCN[C@H]1CCc2ccccc21 309197382 KKODVNXTEUKFKJ-HNNXBMFYSA-N 215.340 3.620 30 20 BHED C[C@H](CCC1CCCCC1)NCCCC#N 336726831 BSERYSYUMUYMFV-CYBMUJFWSA-N 222.376 3.629 30 20 BHED C=C1CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 353285402 HLINVYXBVMIYGV-TZMCWYRMSA-N 231.339 3.555 30 20 BHED CC[C@@H](C)CCC(=O)Nc1cccc(C#N)c1C 354428194 KKMPTSXZXFUWIV-LLVKDONJSA-N 244.338 3.632 30 20 BHED C=CC[C@@H](CC)NCc1ccsc1Cl 379596425 FPPXCUGHAALCIF-SNVBAGLBSA-N 229.776 3.846 30 20 BHED C=C(C)CCNc1ccc(C(C)=O)c(C)c1 381505981 PYBLRNNWSHJFGD-UHFFFAOYSA-N 217.312 3.576 30 20 BHED C#CCCNc1ccccc1SC(F)(F)F 381816037 JJMNZWYGVMGTPA-UHFFFAOYSA-N 245.269 3.734 30 20 BHED C=CC[C@H](CC)N[C@H](CC)Cc1ccccc1 393805193 PSYBNJKNGZDDJE-JKSUJKDBSA-N 231.383 3.952 30 20 BHED C=CC[C@@H](CC)NCc1cnc2ccccc2c1 393847491 HCMASWRBRWEFJD-OAHLLOKOSA-N 240.350 3.679 30 20 BHED Cc1nc(N2C[C@H](C)c3ccccc32)ccc1C#N 398492344 DSEBBHIGEFDQPX-NSHDSACASA-N 249.317 3.517 30 20 BHED CC1(C)CCN(CCC2(C#N)CCCCC2)C1 411291288 BUUQNBZJWCOZBS-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=C(C)CNC(=O)Nc1ccc(C(C)(C)C)cc1 429209770 FUDQSYPTLVTWFI-UHFFFAOYSA-N 246.354 3.682 30 20 BHED N#Cc1ccn(CCc2ccc3ccccc3c2)c1 438289708 FGTHAINCQQXTPG-UHFFFAOYSA-N 246.313 3.756 30 20 BHED C=CC[C@H](CC)N[C@H](C)CCCc1cccnc1 453214706 NCADYZPTTHGOEJ-ZBFHGGJFSA-N 246.398 3.737 30 20 BHED CCCCC[C@@H]1CCCN1c1cccc(C#N)n1 532260933 LKRNTKAHPVCBQW-CQSZACIVSA-N 243.354 3.502 30 20 BHED C=C[C@](C)(CC)C(=O)N1CC2(CCC2)[C@@H]1C(C)C 553071066 JHQFZMWIFVADHE-DZGCQCFKSA-N 249.398 3.626 30 20 BHED C=CCCN1CC[C@@H]1c1ccc(Cl)cc1 555014774 MTCJZQAGTROXCT-CYBMUJFWSA-N 221.731 3.663 30 20 BHED C=CCCN1CCCC(C)(C)[C@@H]1CC=C 558832290 YNEZLRNPIHJKHI-ZDUSSCGKSA-N 207.361 3.629 30 20 BHED CN(CCC1CCCCCC1)CC(C)(C)C#N 560569993 ZKCFVXUEXIIKHQ-UHFFFAOYSA-N 236.403 3.828 30 20 BHED CC(C)(C=O)Cc1ccc2ccccc2c1 575623345 LIZIYMLZXMRHET-UHFFFAOYSA-N 212.292 3.607 30 20 BHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccoc1 610830293 KEMDZEKSWIXVDF-NEPJUHHUSA-N 240.306 3.563 30 20 BHED C=CC[C@H]1CCCN(C(=O)CCC2CCCC2)C1 617789912 XSDVBVKKNUJHSO-HNNXBMFYSA-N 249.398 3.772 30 20 BHED C=C(C)CN(CC)C[C@H](CC)CC(F)F 659829442 RAASCWILMDXCEW-LLVKDONJSA-N 219.319 3.566 30 20 BHED CC#CCCCC(=O)Nc1ccc(/C=C\C)cc1 673352769 CKYFMLCGRFSITH-YWEYNIOJSA-N 241.334 3.852 30 20 BHED N#Cc1cccc(N[C@H]2CCCC[C@@H]2C2CC2)c1 696105873 RIXQGUMGPRUHED-CVEARBPZSA-N 240.350 3.939 30 20 BHED C=C(Cl)COC(=O)CCCC1CCCC1 745604009 VWUCPOUTDUPLFB-UHFFFAOYSA-N 230.735 3.643 30 20 BHED Cc1ccc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)cc1 762411259 PQFXVTBSFREVAO-MELADBBJSA-N 228.339 3.829 30 20 BHED Cc1ccc(C=NOC/C(Cl)=C\Cl)cc1 763174784 DBKLMYCJGOXTRC-TYCBBYHBSA-N 244.121 3.665 30 20 BHED COc1cccc(NN=C(C)CCC2CC2)c1 768772836 JUPJBUHXAYFTCQ-UHFFFAOYSA-N 232.327 3.673 30 20 BHED CC(=NOC1CCCC1)c1ccc(F)cc1C 774596696 KAIDZDNWUAXRNF-UHFFFAOYSA-N 235.302 3.817 30 20 BHED C#C[C@H](C)N(C)Cc1ccccc1-c1ccccc1 775183039 GQPFWPKDBDVJNV-HNNXBMFYSA-N 249.357 3.807 30 20 BHED CCC/C(C)=C\C(=O)O[C@H](C#N)C1CCCCC1 776379131 SRIRFXHVIBEHRC-GAJOTYCWSA-N 249.354 3.748 30 20 BHED C=CCCN(CCC=C)OCc1ccccc1 782665430 VQJGJTRHPPJLCL-UHFFFAOYSA-N 231.339 3.572 30 20 BHED Cc1cccnc1NN=C[C@H]1CCCC[C@@H]1C 790185633 IFWIEXHGOFTEQA-WCQYABFASA-N 231.343 3.614 30 20 BHED CC[C@H](C)NN=Cc1cc2cc(C)c(C)cc2o1 790189767 QEHHIHYFILEXPT-LBPRGKRZSA-N 244.338 3.772 30 20 BHED C=CCCCCCCNC(=O)CCC(C)(F)F 805217727 IVPAFHSVIXIRDL-UHFFFAOYSA-N 247.329 3.675 30 20 BHED C=CCCCCCCCN[C@H](C)[C@H]1CCCO1 810243818 VBHJTPVXXOQKQV-HUUCEWRRSA-N 239.403 3.670 30 20 BHED C1CCC2(C1)CCC2=NOCCC1CC1 814247029 NKXYGBRDLLXBPE-UHFFFAOYSA-N 207.317 3.513 30 20 BHED c1ccc(NN=C2CC[C@H]2C2CCC2)cc1 814684096 DBTOEVQOGPPGAS-ZDUSSCGKSA-N 214.312 3.665 30 20 BHED Fc1ccc(CON=C2CC[C@@H]2C2CC2)cc1 814903665 UQXSTIPTBQRXAI-CYBMUJFWSA-N 233.286 3.518 30 20 BHED CC[C@@H](C)NN=C1CC[C@H](c2ccccc2)C1 814913536 PFKIGVPIOJRMJS-OCCSQVGLSA-N 230.355 3.698 30 20 BHED C=C[C@@H](OC(=O)C1CC2(CC2)C1)c1ccccc1 851452347 RELBFNLVSHCALP-CQSZACIVSA-N 242.318 3.647 30 20 BHED C[C@@H]1CC[C@@H](C=NNc2ccc(Cl)cn2)C1 853438082 ZFERMPFPQPNLDB-NXEZZACHSA-N 237.734 3.569 30 20 BHED N#Cc1cccc(SCCC(F)(F)Cl)c1 863309444 VHEPDLPUNSPFRL-UHFFFAOYSA-N 247.697 3.872 30 20 BHED CC[C@H](NCC=C(C)C)c1cccc(C#N)c1 902969980 JPBRMUGFNIUHMS-HNNXBMFYSA-N 228.339 3.565 30 20 BHED CC(=NNc1ccc(C#N)cc1)c1cccc(C)c1 915962101 ISRLKUJRZUEQJA-UHFFFAOYSA-N 249.317 3.703 30 20 BHED C=CCN(C(=O)C=C1CCCC1)c1ccccc1 917634710 MJZUMUKJDZERQO-UHFFFAOYSA-N 241.334 3.706 30 20 BHED C=C[C@H](CC)CC(=O)Nc1cc(F)ccc1C 929195237 JJHBBLHXDVQGOM-LLVKDONJSA-N 235.302 3.675 30 20 BHED C[C@H](CSc1ccc(C#N)cn1)C(C)(C)C 1165502971 BPVLLRBXDHGXDX-SNVBAGLBSA-N 234.368 3.728 30 20 BHED CC(C)CCN(CCC#N)C[C@@H](C)CC(C)C 1167559132 YCTGSNNGCOPKAQ-HNNXBMFYSA-N 238.419 3.930 30 20 BHED C=C(C)CCC(=O)N1CC[C@H](C2CCCCC2)C1 1335982669 UJRZTZZPLLNFDC-HNNXBMFYSA-N 249.398 3.772 30 20 BHED C[C@H](N(C)c1ccc(C#N)cc1F)C(C)(C)C 42780463 RLECAYUDPUEUJK-JTQLQIEISA-N 234.318 3.568 30 20 BHED CC(C)(C)CC(C)(C)Nc1ccc(C#N)cn1 43437166 QJTUWUNXMXHRMF-UHFFFAOYSA-N 231.343 3.580 30 20 BHED O=C(/C=C/c1ccc(F)c(F)c1)c1ccccc1 57435441 VNLFNIRJXBOQRP-VQHVLOKHSA-N 244.240 3.861 30 20 BHED CC(C)(C#N)CCSc1ccccc1 83640617 QXRFUMBWOUHKNB-UHFFFAOYSA-N 205.326 3.719 30 20 BHED CC1(C)CCC[C@@H]1Nc1ccc(C#N)cc1 86831422 IOBUABQZKHVILJ-ZDUSSCGKSA-N 214.312 3.549 30 20 BHED CCCCCCCCCC(=O)N[C@@H](C)CC#N 112010296 WMJXCOLMWHWWTP-ZDUSSCGKSA-N 238.375 3.545 30 20 BHED CC[C@@H](C#N)Nc1ccc2c3c(cccc13)CC2 122193620 LKRQQCVUSRGURB-ZDUSSCGKSA-N 236.318 3.652 30 20 BHED C=CCOc1ccc(CN[C@H]2CC[C@@H](C)C2)cc1 131184595 HWXPACKKPOVXEE-HIFRSBDPSA-N 245.366 3.530 30 20 BHED CC#CCCN[C@@H](C)CC(C)(C)c1ccccc1 158297905 VYXFZMBCTJJODH-HNNXBMFYSA-N 243.394 3.746 30 20 BHED Cc1cc(C)cc([C@@H](C)NCCCCC#N)c1 178640248 JUSXOPUJVGJZRE-CQSZACIVSA-N 230.355 3.648 30 20 BHED C=CCCCSc1c(OC)cccc1OC 191302675 NLKKDIZRGKDBHJ-UHFFFAOYSA-N 238.352 3.762 30 20 BHED Cc1cc(C(=O)/C=C\c2ccccc2)ccc1O 205335656 SHPMQNTYESNIQW-CLFYSBASSA-N 238.286 3.597 30 20 BHED C#CCCCN[C@@H]1CCCC[C@H]1c1ccccc1 224313136 WHHUXUUDPZUPMS-DLBZAZTESA-N 241.378 3.716 30 20 BHED C=C(C)CCNc1ccc(C#N)cc1Cl 232558239 NZZGFFAULGTIMO-UHFFFAOYSA-N 220.703 3.590 30 20 BHED C=CC1CCN(c2ccc(Cl)cc2C#N)CC1 301275329 RTRMIKVRQIQJAG-UHFFFAOYSA-N 246.741 3.614 30 20 BHED C=CCN[C@H](CC1CCC1)c1ccccc1 336653043 FXYJJGLKEJWZJX-OAHLLOKOSA-N 215.340 3.694 30 20 BHED Cc1cccc(/C=C/c2ccncc2C#N)c1C 349116296 ZFDYSCTUFMFNIZ-VOTSOKGWSA-N 234.302 3.741 30 20 BHED C=C(C)CCc1noc(C2=C(C)CCC2)n1 351641672 QCRKIJWZXKAQTB-UHFFFAOYSA-N 218.300 3.536 30 20 BHED C=C(CC)CNC(C)(C)c1ccccc1C 378857113 LIBTZOZSOABDMW-UHFFFAOYSA-N 217.356 3.786 30 20 BHED C=CCCCCN[C@H](C)Cc1cccc(F)c1 383349527 NYCJTQQYLWTDLP-CYBMUJFWSA-N 235.346 3.703 30 20 BHED CCCCCCC[C@@H](C)NCC1(CC)COC1 393968459 VIUKJCKECVZYPU-CQSZACIVSA-N 241.419 3.752 30 20 BHED C=CCC[C@@H](CC)NCC(C)(C)OCC1CC1 414249853 AQJLWGALXOEGNJ-CQSZACIVSA-N 239.403 3.526 30 20 BHED CC(C)(C#N)CCCCS[C@H]1CCCOC1 436210653 OSBBQRSFLPDIIZ-LBPRGKRZSA-N 241.400 3.619 30 20 BHED C=CCCN(C)Cc1cc(C)c(C)cc1C 467374210 VCIPWWMBDJQBLZ-UHFFFAOYSA-N 217.356 3.620 30 20 BHED C=CCC(C)(C)CNC(=O)C(CCC)CCC 489903977 AUXNPWUZNYDFTL-UHFFFAOYSA-N 239.403 3.921 30 20 BHED C=CCCN[C@H](Cc1ccc(F)cc1)C(C)C 542546935 NXSSMOOHPRGIMV-OAHLLOKOSA-N 235.346 3.559 30 20 BHED CC[C@@H](C)n1cc(-c2ccc(C)cc2C#N)cn1 600775480 IUVPIGHNWPJWFB-GFCCVEGCSA-N 239.322 3.701 30 20 BHED C[C@H](CCC#N)CNC(C)(C)CC(C)(C)C 602512295 SNPXTHHXADYTFO-GFCCVEGCSA-N 224.392 3.731 30 20 BHED C[C@H](CCC#N)CNCC[C@@H](C)c1ccccc1 602527463 QXYYOSOMYWKZKI-HUUCEWRRSA-N 244.382 3.710 30 20 BHED Cc1cc(C)cc([C@H](C)NC[C@@H](C)CCC#N)c1 602540196 XDJKKJMIFXCJEZ-WFASDCNBSA-N 244.382 3.894 30 20 BHED CCCCCCC#CCC1(O)CCCC1 616581540 YXIUYJVTWYEQOD-UHFFFAOYSA-N 208.345 3.655 30 20 BHED C[C@@H](CN(CCC#N)Cc1ccco1)C(C)(C)C 619844106 VNUJGGIWTIEMAI-ZDUSSCGKSA-N 248.370 3.677 30 20 BHED Cc1ccc([C@H](C)N[C@@H](C)CC(C)(C)C#N)cc1 695777683 IDORITJCBOYESB-KBPBESRZSA-N 244.382 3.974 30 20 BHED CC[C@H](CC(=O)Oc1ccc(C#N)cc1)C(C)C 729649945 GTPUDCSCSNNYJY-CYBMUJFWSA-N 245.322 3.536 30 20 BHED C=CCOC(=O)[C@H](CC)CC1CCCCC1 734050201 BIOJPPVBPHPJBI-CYBMUJFWSA-N 224.344 3.712 30 20 BHED C=CCCCOC(=O)c1ccc(C(F)F)cc1 735535289 TXQIXNAEKRDHPN-UHFFFAOYSA-N 240.249 3.747 30 20 BHED C=CCCC(C)=NOCc1ccccc1 758104999 SEVVIALJXLUJRJ-UHFFFAOYSA-N 203.285 3.545 30 20 BHED COc1cc(F)ccc1NN=C[C@@H]1CC=CCC1 761884573 KMVYXOPZZOJYDU-LLVKDONJSA-N 248.301 3.588 30 20 BHED C=C(Cl)CN1CCCC[C@H]1c1ccccc1 762635158 RNQOXEKDXOCFEA-AWEZNQCLSA-N 235.758 3.966 30 20 BHED CC[C@H](C)CC(=O)OCCCCC(C)(C)C#N 768891407 GMDGRAUWQMYIPX-LBPRGKRZSA-N 239.359 3.686 30 20 BHED CC1CCC(=NN[C@H]2CCCC2(C)C)CC1 782302834 USAAJLFDACZRPD-YUZLPWPTSA-N 222.376 3.721 30 20 BHED CC[C@H](C)NN=Cc1ccc(C(C)C)cc1 790182636 FLGWJVPZVQINNM-LBPRGKRZSA-N 218.344 3.532 30 20 BHED Cc1cccnc1NN=C1CCC[C@@H](C)[C@@H]1C 790192884 JAFIORPXRGGYHS-PWSUYJOCSA-N 231.343 3.614 30 20 BHED CSCCON=C(CC1CC1)c1ccccc1 794574828 RKIGPQSQGCHYIN-UHFFFAOYSA-N 249.379 3.570 30 20 BHED CC1(C)CCC[C@H]1OC(=O)CCCCCC#N 805696914 PCRMWMXHXCLCQK-GFCCVEGCSA-N 237.343 3.582 30 20 BHED C=CCCCCCCNC(=O)N(C)[C@H](C)CC 807571653 LUKFBKKIHZVPCO-CYBMUJFWSA-N 240.391 3.563 30 20 BHED CC(=NOC/C=C/Cl)c1ccccc1Cl 811670632 XIBCCGPJWHPNLU-AKROGEHCSA-N 244.121 3.833 30 20 BHED CC1(C)CC[C@@H](OC(=O)C2(C#N)CCCCC2)C1 820300977 DQTOABOTECQBHR-GFCCVEGCSA-N 249.354 3.582 30 20 BHED C=CCCC(CC)=NNc1ncc(F)cc1F 835022248 FTQZNHPCQCCSRO-UHFFFAOYSA-N 239.269 3.504 30 20 BHED Cc1ccc(Cl)c(NC(=O)C#CC(C)(C)C)c1 837472218 JQLQYDRNXDJRFK-UHFFFAOYSA-N 249.741 3.636 30 20 BHED CC[C@H](C)CC=NNc1ccc(Cl)cn1 853435381 OHXBJFFKVZIYMM-VIFPVBQESA-N 225.723 3.569 30 20 BHED C=CCN(C(=O)[C@H](C)c1ccccc1C)C(C)C 931925091 LLLCVXLYMVDAAJ-CQSZACIVSA-N 245.366 3.522 30 20 BHED C=C(Cl)CN1CCC[C@@H]1/C=C/c1ccccc1 1198270479 LKHPUVFBKJRQOO-BOLDSZDNSA-N 247.769 3.917 30 20 BHED C=C(C)CCC(=O)N1CC2(CCCC2)[C@H]1C(C)C 1337303868 ROCTYKFCQPKNEL-OAHLLOKOSA-N 249.398 3.770 30 20 BHED C[C@H](C#N)S[C@@H]1CCCc2ccccc21 64331767 CTUNDZQZQPRMRP-ZWNOBZJWSA-N 217.337 3.709 30 20 BHED CC(C)C[C@@H](C)Nc1ccc(F)cc1C#N 82516429 YRLNSSRCENCTNZ-SNVBAGLBSA-N 220.291 3.544 30 20 BHED CC[C@]1(C)CCCN(CC(C)(C)CCC#N)C1 93459081 CLKOZXYUBCZBCC-OAHLLOKOSA-N 236.403 3.828 30 20 BHED C=C(C)CN[C@H](C)c1ccc(C)cc1C 96034163 YRGWJEDAGZJQDT-CYBMUJFWSA-N 203.329 3.530 30 20 BHED C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](C)CC1 118394862 NUZOXTMOOVVKDL-KGLIPLIRSA-N 242.366 3.741 30 20 BHED CC(C)[C@@H](C)N(Cc1cc(C#N)cs1)C1CC1 179496774 UTPOYDQSOQPHSN-LLVKDONJSA-N 248.395 3.629 30 20 BHED Cc1ccc(C(=O)/C=C\c2cccc(C#N)c2)cc1 205882136 XDPSNPBFSCEDJA-YFHOEESVSA-N 247.297 3.763 30 20 BHED C=CCCCCCn1cnc2c1CCCC2 232594107 KBEPIXWIRMUQDC-UHFFFAOYSA-N 218.344 3.508 30 20 BHED CC(C)c1cccc(NC(=O)CC(C)(C)C#N)c1 278477782 JNELHXBKHBGAGP-UHFFFAOYSA-N 244.338 3.688 30 20 BHED CC(C)C[C@H]1CCN(c2ccc(F)cc2C#N)C1 301434006 QHYIWONFOZBQHZ-GFCCVEGCSA-N 246.329 3.570 30 20 BHED CC(C)C[C@@H](C)CNCC(C)(C)CCC#N 309327085 GUUWDIWADJCNIM-CYBMUJFWSA-N 224.392 3.588 30 20 BHED CCN(CCCCC#N)c1cccc(Cl)c1 338734766 RGOHBLZNZPEGQF-UHFFFAOYSA-N 236.746 3.860 30 20 BHED C=CCCN(Cc1ccccc1)Cc1ccco1 352257471 PACNZCUPQUDLSV-UHFFFAOYSA-N 241.334 3.858 30 20 BHED C=C(C)CCN[C@H]1CCC[C@H](C(F)(F)F)C1 386738311 XNUPRXDJXFDTOE-QWRGUYRKSA-N 235.293 3.663 30 20 BHED C=CCC[C@@H](CCC)N[C@H](C)C(F)(F)F 390002567 UOXIAMWNWQOVCF-NXEZZACHSA-N 223.282 3.662 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccc(OC)cc1 393758444 JPGKODZIINTFDK-TZMCWYRMSA-N 233.355 3.701 30 20 BHED C=CCCC(=O)N(C)C1CCC(C(C)C)CC1 432573728 MCUGUTQBEOPDJO-UHFFFAOYSA-N 237.387 3.626 30 20 BHED N#Cc1cc(F)ccc1CSCC1CCC1 437275904 RMOJRDJHZNHFOA-UHFFFAOYSA-N 235.327 3.731 30 20 BHED C=C[C@H](C)NC(=O)Nc1ccc(C(C)(C)C)cc1 465176398 FKADAHOTRKZAAR-NSHDSACASA-N 246.354 3.680 30 20 BHED C[C@H](CSCC1(C#N)CC1)c1ccccc1 481939635 BXCPWIFLNSLHAJ-GFCCVEGCSA-N 231.364 3.827 30 20 BHED N#Cc1cccc(OCc2cc3ccccc3o2)c1 486833768 QKAMWOHRJSFYDD-UHFFFAOYSA-N 249.269 3.883 30 20 BHED C=C[C@@H](C)N[C@H]1CC=C(c2ccc(F)cc2)CC1 498766962 LGNFEFMNGACEMX-WBMJQRKESA-N 245.341 3.926 30 20 BHED C=CC1CCN(Cc2ccc(F)c(C)c2)CC1 537627344 PNQYIPJJIFLBIU-UHFFFAOYSA-N 233.330 3.532 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@@H](CC)C(C)C 538328540 AXSXHIJOUKVDKI-UONOGXRCSA-N 239.403 3.920 30 20 BHED Cc1cc(F)ccc1CSCC1(C#N)CC1 547491988 OWEGDQYGXCADCT-UHFFFAOYSA-N 235.327 3.671 30 20 BHED CC(C)(CCCc1ccccc1)CNCCC#N 565712351 PHANQBHWBQLRLL-UHFFFAOYSA-N 244.382 3.539 30 20 BHED CN(CCC1CCCCC1)[C@H]1CC[C@H](C#N)C1 584517673 FRQWTGBAJKVHIM-GJZGRUSLSA-N 234.387 3.581 30 20 BHED CC[C@@H](OCCSCCC#N)c1ccccc1 593424033 ZSFHLKIDGDGOOK-CQSZACIVSA-N 249.379 3.801 30 20 BHED C[C@@H](c1ccc(C#N)cc1)N(C)C[C@H]1CC1(C)C 595911379 FZRCZINQWQCXSR-SWLSCSKDSA-N 242.366 3.597 30 20 BHED N#C[C@@H](SCc1c(F)cccc1F)C1CC1 601082723 OCJLJWBGRQQTSM-GFCCVEGCSA-N 239.290 3.500 30 20 BHED CC(C)=CCCC(C)=NNc1ccc(F)cn1 749165431 WKYJQZMUEIZWOM-UHFFFAOYSA-N 235.306 3.755 30 20 BHED C#C[C@@H](CC)NC(=O)[C@](C)(CC)CCCCC 754394217 SZDXNCAOASHLBF-DZGCQCFKSA-N 237.387 3.511 30 20 BHED CCC1(C=NOC2CCCCC2)CCOCC1 777457472 VPDIUPOAEREBCT-UHFFFAOYSA-N 239.359 3.528 30 20 BHED FC(F)(F)CCON=C/C=C/c1ccccc1 777460942 SBRSYQJABOBDHN-HHNUDHMFSA-N 243.228 3.655 30 20 BHED CC(Cc1ccccc1F)=NNc1ccccc1 780187388 UBYBVFZZYCWCSQ-UHFFFAOYSA-N 242.297 3.856 30 20 BHED C[C@@H](NN=C1CCC[C@@H]1CCF)C(C)(C)C 793113258 CEWGVPMQVXJBGW-GHMZBOCLSA-N 228.355 3.526 30 20 BHED C=C(Cl)CN1C[C@H](C)C[C@@H]1c1ccccc1 796621669 UGPYRHBGGYHXPC-BXUZGUMPSA-N 235.758 3.822 30 20 BHED C=CCCCCNc1ccccc1O[C@H](C)C#N 834569937 ALIRTRXKUAFDBC-CYBMUJFWSA-N 244.338 3.746 30 20 BHED Cc1cccnc1NN=C1C[C@H](C)CC[C@@H]1C 834974103 XXOZMWJOAFJVRW-MNOVXSKESA-N 231.343 3.614 30 20 BHED CCCCCCCNC(=O)C(C1CC1)C1CC1 862358092 SYIKYEUBLRTHKF-UHFFFAOYSA-N 237.387 3.509 30 20 BHED Cc1cccc(C)c1CN(C)C[C@@H](C)CCC#N 897624427 JNKZEBHSCOSUJK-ZDUSSCGKSA-N 244.382 3.675 30 20 BHED C=C(CC)C(=O)N1CC(C)(C)[C@H]1c1ccccc1 1123510106 MFXYUJQISOGINW-CQSZACIVSA-N 243.350 3.562 30 20 BHED N#CC1(CCCCN2CCC3(CC2)CC3)CCC1 1262235837 OZCVXCXCZXPFOY-UHFFFAOYSA-N 246.398 3.727 30 20 BHED C=C(C)CCC(=O)N(C)c1ccccc1SC 1262734257 QRQSYDBDUKOEKL-UHFFFAOYSA-N 249.379 3.728 30 20 BHED CC(=NOC(C)(C)C)c1cc(C)cc(C)c1 1324557705 FYBKAXRBLQINIA-UHFFFAOYSA-N 219.328 3.843 30 20 BHED Cc1c(C#N)cccc1NC[C@@H](C)CC(C)C 1474433857 BXZVJDCXWGITAK-LBPRGKRZSA-N 230.355 3.961 30 20 BHED CCC[C@@]1(C)CCCN(C[C@H](C)CCC#N)C1 1663893214 MASOZQPYGRZGKX-CABCVRRESA-N 236.403 3.828 30 20 BHED CC[C@H](C)C[C@@H](CC)NCc1ccc(C#N)cc1 37748312 AGVXMOANDZPTQV-XJKSGUPXSA-N 244.382 3.863 30 20 BHED N#CCCCN1CCCCC[C@@H]1c1ccccc1 76748370 HKRSUIMQTQMDBJ-MRXNPFEDSA-N 242.366 3.907 30 20 BHED N#Cc1c(F)cccc1Oc1cncc(Cl)c1 77985945 OTFWFUMHCRCBDF-UHFFFAOYSA-N 248.644 3.538 30 20 BHED FC(F)(F)Sc1ccc(CS)cc1 86895270 RRKVBCPSZMCKPZ-UHFFFAOYSA-N 224.272 3.728 30 20 BHED C=CCCCSCC(=O)c1cc(C)[nH]c1C 117945087 VJPZOFFEPRDVHO-UHFFFAOYSA-N 237.368 3.514 30 20 BHED C=C(C)CN(CC)CCCCC(F)(F)F 131315670 NDILHWVPOBZOHC-UHFFFAOYSA-N 223.282 3.617 30 20 BHED CCC[C@H](C(=O)Nc1ccccc1C#N)C(C)C 133830722 CFXOSVNFDCGLCD-ZDUSSCGKSA-N 244.338 3.569 30 20 BHED C=CCCOc1ccc(F)c(Br)c1 137056432 WAZRJBKPMTUPKC-UHFFFAOYSA-N 245.091 3.543 30 20 BHED C=CCC[C@@H](NCCCCC#N)c1ccccc1 159974678 LYKVOJOLCSTKSH-MRXNPFEDSA-N 242.366 3.977 30 20 BHED C=CC[C@H](C)NCc1ccc(F)c(Cl)c1 160149770 ZCAAAGLTHLXAGT-VIFPVBQESA-N 227.710 3.533 30 20 BHED C=C(C)CCNc1ccc(OCCC)cc1 168981720 LXQZAYVNPIICMX-UHFFFAOYSA-N 219.328 3.854 30 20 BHED C=CCCNc1c(F)cccc1Br 227781363 OANRCFCLPUBWIT-UHFFFAOYSA-N 244.107 3.576 30 20 BHED CC(C)[C@H](C)SCc1cc(C#N)ccc1F 231192657 XGIOXSCJGRKWAL-JTQLQIEISA-N 237.343 3.975 30 20 BHED CC[C@H]1CCCN1CCCCC(C)(C)C#N 234050541 KZIYKFXCRKJUJW-ZDUSSCGKSA-N 222.376 3.581 30 20 BHED C=CCCCCCNc1ccc(OC)cc1 234857217 PREUJELJEGCOEQ-UHFFFAOYSA-N 219.328 3.854 30 20 BHED C/C=C\CS[C@H](C)c1ccc(C#N)cc1 255239837 NIMIHIZDFSTUDI-DLRQAJBASA-N 217.337 3.929 30 20 BHED CCN(CCC#N)[C@@H](C)c1cccc(Cl)c1 299428028 UHAZOWNDSMTHGB-NSHDSACASA-N 236.746 3.637 30 20 BHED Cc1cc([C@@H](C)N[C@H](C)CCC#N)c(C)s1 299720741 SGQHPHRRBWVOGL-MWLCHTKSSA-N 236.384 3.708 30 20 BHED C=CCCCN[C@@H](CC)c1ccc(F)cc1 303991927 ZXZMDFAFZZPQTL-AWEZNQCLSA-N 221.319 3.833 30 20 BHED C=CCC[C@@H](NCCCC(C)C)C1CC1 308857897 QNOVXAWEYZBYNY-CQSZACIVSA-N 209.377 3.757 30 20 BHED C=C(CC)CN[C@@H](CC)c1ccccc1OC 313532757 HFAUADMDTGITLN-AWEZNQCLSA-N 233.355 3.702 30 20 BHED CC#CCNc1ccc2nc(C3CC3)sc2c1 344478909 CDDVXJMCRKVFQI-UHFFFAOYSA-N 242.347 3.609 30 20 BHED C=CCC1(C(=O)NCC2C(C)(C)C2(C)C)CCC1 358319882 JAESOHQHYRQWMZ-UHFFFAOYSA-N 249.398 3.531 30 20 BHED CCCCCCCCN[C@H](C)[C@@H]1CCCOC1 388522860 XQSSSCGYXHCOSJ-HUUCEWRRSA-N 241.419 3.752 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCc2ccc(C)cc21 393750249 NWNNWZGWBXVFOI-GOEBONIOSA-N 229.367 3.927 30 20 BHED C=CCN(CC)[C@H](CC)Cc1ccc(C)cc1 441344921 JHVFBWPDHPQRMH-MRXNPFEDSA-N 231.383 3.824 30 20 BHED C=CCN(Cc1cccc2ccoc12)C1CC1 449235014 DSRHPOMVCKACMV-UHFFFAOYSA-N 227.307 3.583 30 20 BHED CC#CCCOc1ccc(Cl)c2cccnc12 462355051 FASGKKKHWQWYJW-UHFFFAOYSA-N 245.709 3.680 30 20 BHED CC(C)(C)[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@@H](C#N)C1 471620054 RDXBBWWVFUPHSF-TUVASFSCSA-N 248.414 3.873 30 20 BHED C=CCN(CCc1ccco1)C[C@@H]1CC=CCC1 495200192 IFLNTTFHDDJCBO-OAHLLOKOSA-N 245.366 3.666 30 20 BHED C[C@@H](CCC#N)Sc1c(F)cc(F)cc1F 519811990 RPYQFMPJCIKCCG-ZETCQYMHSA-N 245.269 3.888 30 20 BHED CC#CCN(CC)[C@@H](C)c1cc2ccccc2o1 525633060 FSFZTCZQFBKTHT-ZDUSSCGKSA-N 241.334 3.839 30 20 BHED CC(C)(C#N)CCN(CC1CC1)C1CCCCC1 540665106 VIEPKNHTRSKTNQ-UHFFFAOYSA-N 248.414 3.971 30 20 BHED CC#CCCNC(=O)[C@H](CCC)CC1CCCC1 542672321 LEOUIKWETNKXKV-OAHLLOKOSA-N 249.398 3.513 30 20 BHED C=CCC(C)(C)c1noc([C@@H]2C[C@]2(C)CC)n1 556363349 XFBOJAFBCIZINC-HZMBPMFUSA-N 234.343 3.827 30 20 BHED Cc1ccc(N[C@@H]2CCc3ccc(C#N)cc32)cc1 567798152 FEJRCRBVKUMQOM-QGZVFWFLSA-N 248.329 3.966 30 20 BHED CN(CCC1(C#N)CCCCC1)C(C)(C)C 572480497 OFMCRSNPADVPBJ-UHFFFAOYSA-N 222.376 3.581 30 20 BHED C=C(C)CCc1noc([C@@H](F)c2ccccc2)n1 580482420 UBIJAKVEONBDOG-ZDUSSCGKSA-N 246.285 3.637 30 20 BHED N#CCCCS[C@@H]1CCc2ccccc2C1 583273810 BZDLTJUSCPGYPQ-CQSZACIVSA-N 231.364 3.581 30 20 BHED C(#Cc1nccc2sccc12)c1ccccc1 585144803 GRVMPQBTRPXAKM-UHFFFAOYSA-N 235.311 3.696 30 20 BHED N#CC[C@@H]1CCCN(CCC2CCCCCC2)C1 595622800 DJKQGEOEXXTZIF-INIZCTEOSA-N 248.414 3.973 30 20 BHED CSc1cccc(N(C)C[C@@H](C)CCC#N)c1 618888014 OIUYKBATVBRBOD-LBPRGKRZSA-N 248.395 3.785 30 20 BHED C=CC[C@H]1CCCC[C@@H]1NCCc1ccoc1 658199008 LCEDHOFXMXRBPZ-GJZGRUSLSA-N 233.355 3.547 30 20 BHED CCON=C(C)c1cccc(-c2ccncc2)c1 741459225 WJDGYGAVZWPSNE-UHFFFAOYSA-N 240.306 3.509 30 20 BHED Cc1ccc(F)c(NN=C2CC3(CCC3)C2)c1 772845685 XLBWGGSCQXWYIL-UHFFFAOYSA-N 232.302 3.866 30 20 BHED CC[C@](C)(NCCCCC#N)c1ccccc1 775389820 HOJXAHHXWCBSHK-HNNXBMFYSA-N 230.355 3.595 30 20 BHED CC(=NNCCC(C)(C)C)c1cc(C)oc1C 782903201 RGAJOTYXQFCBSP-UHFFFAOYSA-N 236.359 3.646 30 20 BHED Cc1ccc(C=NNC2CCCCC2)cc1C 786043281 MKJXOGSWPAELQC-UHFFFAOYSA-N 230.355 3.560 30 20 BHED CCC1(C)CCC(=NNc2ncccc2F)CC1 794989422 GUJQSAVRDIUNMM-UHFFFAOYSA-N 249.333 3.979 30 20 BHED CCCCCC1=CCCC1=NOCCCOC 795053048 GTHIJOIJYFQSDO-UHFFFAOYSA-N 239.359 3.696 30 20 BHED C=CCCCCCCNC(=O)/C(=C/C)CC 805217596 FKZJVFGPVSJDEB-WLRTZDKTSA-N 223.360 3.595 30 20 BHED C=CCCCCCCNC(=O)[C@H]1CC=CCC1 805218134 SRPCXDMLGRMAAX-AWEZNQCLSA-N 235.371 3.595 30 20 BHED C[C@@H]1CC(=NOC/C=C/Cl)c2ccccc21 811669820 JOKDKCMYZJFKAB-NVYCHHOXSA-N 235.714 3.667 30 20 BHED CCSc1ccccc1C(C)=NOCC1CC1 814241204 GEZKBUCDKRVLOD-UHFFFAOYSA-N 249.379 3.949 30 20 BHED CCCC(C)=NNc1cc(Cl)nc(Cl)c1 819833013 WXAPEHAPJVABMA-UHFFFAOYSA-N 246.141 3.976 30 20 BHED C=CCN(C(=O)C1=CCC(C)(C)CC1)C(C)C 836622670 SOHWKKJWGOECRB-UHFFFAOYSA-N 235.371 3.546 30 20 BHED CC(C)(C#N)CCSc1ncc(Cl)s1 850000002 GJESNWQWCGHCLB-UHFFFAOYSA-N 246.788 3.828 30 20 BHED CC(C)SCOc1ccc(C#N)cc1Cl 863272219 OPUHLYVMWWZCEU-UHFFFAOYSA-N 241.743 3.690 30 20 BHED O=C1/C(=C/c2ccccc2)Cc2c(F)cccc21 921263562 GNVNDVWYQUKEDR-FMIVXFBMSA-N 238.261 3.648 30 20 BHED CC[C@H](C)N(CC)CCCCC1(C#N)CCC1 930922711 MJZDIJCSEITKIP-AWEZNQCLSA-N 236.403 3.971 30 20 BHED C=C(CC(C)C)C(=O)Nc1cc(C)ccc1OC 1123475127 DPVSNFJGISKNKJ-UHFFFAOYSA-N 247.338 3.544 30 20 BHED CC[C@@H](C)c1nnc(CC2(C#N)CCCCC2)o1 1346664067 UMDHWTYKMXKJOJ-LLVKDONJSA-N 247.342 3.600 30 20 BHED C[C@H]1CCC[C@H](CSc2cc(C#N)ccn2)C1 1613475260 LJEHCWHTKLTFQU-AAEUAGOBSA-N 246.379 3.872 30 20 BHED Cc1cc(Sc2ccccc2F)ncc1C#N 1651336748 FRTRQBZDJFFRNH-UHFFFAOYSA-N 244.294 3.552 30 20 BHED CC(C)c1ccc(SCCC#N)cc1 19847598 QWSNVCRNBSJBBV-UHFFFAOYSA-N 205.326 3.816 30 20 BHED N#CCCc1ccc(-c2ccccc2)cc1 33947489 VOXYKKGIRUFILR-UHFFFAOYSA-N 207.276 3.810 30 20 BHED CC(C)(C#N)CCCSc1ccccc1O 83642184 SMQAAAAXOGKGCX-UHFFFAOYSA-N 235.352 3.814 30 20 BHED Cc1ccc(Nc2snc(C)c2C#N)cc1C 92912271 OTIDSTOQDGYWSL-UHFFFAOYSA-N 243.335 3.684 30 20 BHED CCCCCCCCCC(=O)Nc1ncccn1 106397781 DFIVVQGSWUSRAE-UHFFFAOYSA-N 249.358 3.556 30 20 BHED C=CCCCOc1cccc2ncccc12 172643148 SYAHDALAGCBODA-UHFFFAOYSA-N 213.280 3.580 30 20 BHED C[C@@H]1CCC[C@@H](OC(=O)C2(C#N)CCCCC2)C1 194315354 NEWICPCMZKZDND-CHWSQXEVSA-N 249.354 3.582 30 20 BHED CCCCCCCCN[C@@]1(C)CCO[C@H]1C 232937188 CRHCRSUTQYJTSV-KBPBESRZSA-N 227.392 3.504 30 20 BHED C=CCC[C@H](C)N[C@@H](C)c1ccc2n[nH]cc2c1 353193821 BXFKJQZVRKXDNG-RYUDHWBXSA-N 243.354 3.568 30 20 BHED CC[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 360816261 AEONCMYUUYMBBM-BLLLJJGKSA-N 242.366 3.714 30 20 BHED C=CC[C@@H](CC)N[C@H]1CCc2ccc(C)cc21 393750252 NWNNWZGWBXVFOI-ZBFHGGJFSA-N 229.367 3.927 30 20 BHED COc1ccccc1SCC1(C#N)CCCC1 405148164 BUKKEHSLDWQNAE-UHFFFAOYSA-N 247.363 3.871 30 20 BHED CC[C@@H](NCC(C)(C)CC#N)c1ccccc1 414170738 TWBJLLVHNIPWGF-CQSZACIVSA-N 230.355 3.667 30 20 BHED C=C(C)CN(CC)Cc1ccn(C(CC)CC)n1 448454402 KHSYYIOISVQUGL-UHFFFAOYSA-N 249.402 3.642 30 20 BHED C=CCC1(CN[C@H](C)CCCOC)CCCC1 453384247 TWCQYHXMCWQFER-CQSZACIVSA-N 239.403 3.528 30 20 BHED C=CCCCCCN(C)C(=O)[C@@H](C)C1CCC1 457577797 NILAYRAFHMIFMW-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED CC#CCOc1cccc(-c2nc(C)cs2)c1 464085560 BOKSHMMMWZVCBG-UHFFFAOYSA-N 243.331 3.521 30 20 BHED C=C(C)CNC(=O)CC(C)(C)C1CCCCC1 476831335 SIXQSUIHJDDQIL-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCC(C)(C)CNC(=O)CC1CCCCC1 489766780 KUFKCSBLMUYGGQ-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCSC[C@H](OC)c1ccc(Cl)cc1 509000720 USUBLMFIVPISSZ-LBPRGKRZSA-N 242.771 3.947 30 20 BHED C=CCCN1C[C@H](C)C[C@@H]1c1ccccc1 513241942 NMIBMPONMJUXGB-UKRRQHHQSA-N 215.340 3.646 30 20 BHED C=CCCCCCN1CCC[C@H]1c1ccccn1 562626349 BZYJYQNVWUYTFZ-INIZCTEOSA-N 244.382 3.965 30 20 BHED CCC(CC)N(CC)Cc1ccc(CC#N)cc1 588977291 MNVRMPGUVWEYFJ-UHFFFAOYSA-N 244.382 3.763 30 20 BHED C[C@H](N[C@@]1(C)CC1(C)C)c1ccc(C#N)cc1F 595105911 UHAOMDGJSLKTGR-BONVTDFDSA-N 246.329 3.537 30 20 BHED Cc1ccc([C@@H](C)CNC[C@H](C)CCC#N)cc1 602559255 XETRUTKVHLXRJW-CABCVRRESA-N 244.382 3.628 30 20 BHED C=CCCCN1CCC[C@@H](Cc2ccccc2)C1 605150842 MHHGHHSWQMJFNI-KRWDZBQOSA-N 243.394 3.907 30 20 BHED CC#CCCCC(=O)N1CC(C)(C)CCC1(C)C 628532827 CCGWCBVLBUAIPH-UHFFFAOYSA-N 249.398 3.607 30 20 BHED C=C1CCN(C(=O)CCCC[C@@H](C)CC)CC1 680194620 DVWYZCPSADNMIG-ZDUSSCGKSA-N 237.387 3.772 30 20 BHED N#CCC1(CN2CCC[C@@H]2C2CCCCC2)CC1 688809014 MWEABPRWMAYYNI-OAHLLOKOSA-N 246.398 3.725 30 20 BHED C[C@@H]1CC[C@@H](C)[C@H](Nc2cc(F)cc(C#N)c2)C1 718564090 JOBAQYIJPKECBU-UEKVPHQBSA-N 246.329 3.934 30 20 BHED CCCCCCCCC(=O)OCc1ccncc1 726385697 SXEMGACXISGSBQ-UHFFFAOYSA-N 249.354 3.875 30 20 BHED CCC(=NNc1cc(C)ccc1C)[C@H]1CCOC1 741838720 VAKIPLKATCZWAD-ZDUSSCGKSA-N 246.354 3.518 30 20 BHED CC1=CC(=NOCC(F)(F)F)CC(C)(C)C1 764847282 XKNXMURQOBBAQK-UHFFFAOYSA-N 235.249 3.688 30 20 BHED C#CCCCN(CC)Cc1ccccc1Cl 766896291 YXIDCTSWFYIYDI-UHFFFAOYSA-N 235.758 3.575 30 20 BHED C[C@H]1CCC[C@H](C=NNCc2ccccc2)C1 768354881 KYPIYMILXNMOES-ZFWWWQNUSA-N 230.355 3.588 30 20 BHED C[C@H](c1cccc(C#N)c1)N1CCCCCCC1 777401122 KRTKEOWPIJWEKL-CQSZACIVSA-N 242.366 3.885 30 20 BHED C#Cc1cccc(N(CC)CCCCCF)c1 792875195 ZYMHTGDZUMZOPC-UHFFFAOYSA-N 233.330 3.634 30 20 BHED CSCCON=C1CCCC[C@@H]1C(C)C 794574627 KYFPKEMINNNZFS-LLVKDONJSA-N 229.389 3.568 30 20 BHED CCc1ccc(C=NOCCC(C)(C)C#N)cc1 799959879 BAQGKCRVSUAZTG-UHFFFAOYSA-N 244.338 3.539 30 20 BHED FCCC[C@H]1CCCC1=NOCCC1CC1 814245709 DZBUSUXDMVQFES-GFCCVEGCSA-N 227.323 3.709 30 20 BHED CC(Cc1ccccc1C)=NOCCC1CC1 814246445 NBTAYBJWDZBNKW-UHFFFAOYSA-N 231.339 3.730 30 20 BHED C=CCC(F)(F)C(=O)N(CCCC)CCCC 815012235 IQSIPVNREALETG-UHFFFAOYSA-N 247.329 3.627 30 20 BHED C#CCC[C@@H](C)OC(=O)C[C@@H](C)c1ccccc1 839032638 RSLPGDHNJKNURS-ZIAGYGMSSA-N 244.334 3.525 30 20 BHED C[C@@H](C=NOCC1CCC1)c1ccc(F)cc1 853439258 GICCPIJTSHOWPA-NSHDSACASA-N 235.302 3.732 30 20 BHED CC(C)(C#N)CCCCSCCOC1CC1 902581459 XRBHLQQHYVPSFO-UHFFFAOYSA-N 241.400 3.619 30 20 BHED CC(=NNc1ccccn1)c1cccc(Cl)c1 916275965 CTEPOWKJRZDDCF-UHFFFAOYSA-N 245.713 3.571 30 20 BHED C=CCN(Cc1ccc(F)cc1Cl)C(C)C 917070564 FLDFRGNKHXZEEU-UHFFFAOYSA-N 241.737 3.876 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1cccc(F)c1F 930926787 REJIYFMYYOOZOF-VIFPVBQESA-N 239.265 3.506 30 20 BHED C=CCC1(NCc2cnc(CC)o2)CCCCC1 931191324 UQAJMBNIGLPMFC-UHFFFAOYSA-N 248.370 3.606 30 20 BHED CC[C@H]1CCCC[C@H]1CNc1cccc(C#N)n1 1307128746 FGIAWMKDCIULSV-STQMWFEESA-N 243.354 3.582 30 20 BHED CC(C)C[C@H](C)CN(CCC#N)CC(C)(C)C 1307485095 CNGZGYRMZYBSPJ-AWEZNQCLSA-N 238.419 3.930 30 20 BHED C=CCC[C@@H](NC/C=C/C1CC1)c1ccco1 1326287487 VKVIKRAIQYEJFK-YVARQFDVSA-N 231.339 3.843 30 20 BHED N#CCc1cccc(Nc2nc3ccccc3o2)c1 1642700564 ZUFMLXNYDGKBTN-UHFFFAOYSA-N 249.273 3.637 30 20 BHED CC[C@@H](C)[C@@H](C)Nc1ccc(C#N)cc1F 49094502 FVNFGKLBIWITOV-NXEZZACHSA-N 220.291 3.544 30 20 BHED Cc1c(F)cccc1NCc1cc(C#N)cs1 93687725 UYMCSUINJDFMPO-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)Cc1ccsc1 126776193 KMNPFCFADYBFLD-NEPJUHHUSA-N 223.385 3.623 30 20 BHED CC(C)(C)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 128449245 ANTOEPCORCZZPI-GFCCVEGCSA-N 246.329 3.570 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc(OCCC)cc1 132690380 XVEASNILKYORTJ-OLZOCXBDSA-N 233.355 3.701 30 20 BHED CC/C=C(\C)C(=O)Nc1ccc(Cl)c(C#N)c1 194407033 NHYCODCGFVALHX-RUDMXATFSA-N 248.713 3.506 30 20 BHED N#Cc1ccc(OCCC2CCC2)cc1Cl 229464825 YFILNVGIKKACFF-UHFFFAOYSA-N 235.714 3.781 30 20 BHED CC(C)(CCC#N)CNC/C=C\c1ccccc1 255527301 TVXAHBBUASFPTO-POHAHGRESA-N 242.366 3.619 30 20 BHED CN(CC1(C#N)CC1)c1ccc2ccccc2c1 258936587 PFACGBWMBLXKHR-UHFFFAOYSA-N 236.318 3.580 30 20 BHED FC(F)(F)c1ccc(CON=C2CCC2)cc1 265380434 CJWCZSAMAYDQFM-UHFFFAOYSA-N 243.228 3.762 30 20 BHED CCC(CC)Nc1ccc2cc(C#N)ccc2n1 301830602 SAHQDPZJFREVSA-UHFFFAOYSA-N 239.322 3.707 30 20 BHED C=C(Br)CS[C@@H](C)C(C)C 306472665 FJJPVYWIYPTVBI-QMMMGPOBSA-N 223.179 3.673 30 20 BHED Cc1cnc([C@H](C)/N=C(/O)[C@H]2CC23CCCC3)o1 329449423 ONMKMLXGHDLQFT-WDEREUQCSA-N 248.326 3.581 30 20 BHED CSc1ccccc1N[C@H]1CC[C@@H](C#N)C1 335604829 RVFUAYBUTLTMRF-MNOVXSKESA-N 232.352 3.513 30 20 BHED C=CC[C@H](C)N[C@@H]1CCC[C@H](c2cccnc2)C1 337332328 ICFAPYNHAJQXGZ-OFQRWUPVSA-N 244.382 3.662 30 20 BHED C=C(CC)CN[C@H](C(C)(C)C)C(F)(F)F 379876024 AGAGGWDZFPXGRM-SECBINFHSA-N 223.282 3.519 30 20 BHED C=CCC[C@H](NC[C@H](C)C(F)(F)F)C1CC1 393802832 UJLOUCCHIATSJJ-ONGXEEELSA-N 235.293 3.519 30 20 BHED CC1(C)CCc2ccccc2[C@@H](NCCC#N)C1 411698904 VVBXFMRWKCJEKC-HNNXBMFYSA-N 242.366 3.593 30 20 BHED C=C(C)CCN1CCC[C@H](c2ccccc2)C1 433047951 VDMHWQBCENLFLR-INIZCTEOSA-N 229.367 3.832 30 20 BHED Cc1ccccc1[C@H](C)N(C)CC(C)(C)C#N 433316966 BXLHDEKTTKLLMY-ZDUSSCGKSA-N 230.355 3.538 30 20 BHED C=CCC(C)(C)c1noc(C[C@@H]2CC[C@@H]3C[C@@H]23)n1 453190210 SVXSRJWFJVXUMC-GRYCIOLGSA-N 246.354 3.512 30 20 BHED CC(C)(CN[C@H]1CCC[C@@H](C#N)C1)C1=CCCC1 453388030 FOQPUUYQUYNNNR-HIFRSBDPSA-N 246.398 3.795 30 20 BHED C=CCCN(Cc1ccccc1)[C@@H](C)CC 525328822 NWOWHWYKUUXUET-AWEZNQCLSA-N 217.356 3.863 30 20 BHED C=CCN(C(=O)CCCC1CCCC1)C1CC1 539033889 AFMQUTPIJDMTPF-UHFFFAOYSA-N 235.371 3.524 30 20 BHED C=CCC(C)(C)C(=O)NC1C[C@@H](C)C[C@H](C)C1 556291877 BOAPLUZORQBXNZ-RYUDHWBXSA-N 237.387 3.530 30 20 BHED N#C[C@H]1CC[C@@H](N2CCC(C3CCCC3)CC2)C1 590162097 LXPRMQFSZAHITO-XJKSGUPXSA-N 246.398 3.581 30 20 BHED Cc1ccc2c(c1)[C@@H](NC[C@@H](C)CCC#N)CC2 602539721 JCSUWMHQNLTDJG-BBRMVZONSA-N 242.366 3.512 30 20 BHED C=CCC(CC=C)C(=O)NC1(CC=C)CCCC1 619108477 XMYYPECXEUWWPC-UHFFFAOYSA-N 247.382 3.760 30 20 BHED CCC(CC)NN=C1C[C@H](C)C[C@@H](C)C1 747750071 GNWNKMCDUJDZME-GHMZBOCLSA-N 210.365 3.577 30 20 BHED C[C@@H]1CCC[C@@H](C=NNc2cccc(C#N)c2)C1 768356111 VMHDLJGSPHRJOY-TZMCWYRMSA-N 241.338 3.782 30 20 BHED CCC(=NOCC(F)(F)F)c1ccccc1F 778545494 RTPHNJAJXXAUIV-UHFFFAOYSA-N 249.207 3.519 30 20 BHED CC1(C)CCC[C@@H](C=NOC/C=C\Cl)C1 811667854 FMEJDAZKAWWPOM-HPVLAFJMSA-N 229.751 3.958 30 20 BHED CC(C)[C@H]1CCCC(=NOC/C=C\Cl)C1 811670530 UVROHXYRCLLRAC-XCINXOKZSA-N 229.751 3.958 30 20 BHED C(CC1CCCCC1)=NOCc1cccnc1 814883823 CBDBHPSUJUMASK-UHFFFAOYSA-N 232.327 3.554 30 20 BHED CCOc1ccc(S[C@@H]2CC[C@H](C#N)C2)cc1 828911055 IERWBHMNEDZERY-SMDDNHRTSA-N 247.363 3.870 30 20 BHED CCC(=NOCCC(F)(F)F)C1CCC1 834972350 NMWCDSCOSSPARO-UHFFFAOYSA-N 223.238 3.522 30 20 BHED C=CCCCC(=O)OC[C@@H]1CCCCC1(F)F 835640015 WQFXMWCNVONMCN-NSHDSACASA-N 246.297 3.711 30 20 BHED C=C(C)CON=CC[C@@H](C)c1ccccc1 844618798 IJSLDJFIYYBANW-CYBMUJFWSA-N 217.312 3.759 30 20 BHED C=C[C@@H](C)ON=C(C)C1CCC(F)(F)CC1 844626653 ZHTFHWBMQCMLOX-SECBINFHSA-N 231.286 3.779 30 20 BHED CCCCCC=NNc1ccc(Cl)cn1 853437219 GJGPNPZSJYLFBM-UHFFFAOYSA-N 225.723 3.713 30 20 BHED C=CCC1(NCc2cnc(F)cc2C)CCCC1 895403678 OOLMQAPBOCOYAR-UHFFFAOYSA-N 248.345 3.508 30 20 BHED C=C1CCC(C(=O)N2CC(C)(C)[C@@H]2C(C)C)CC1 897839798 QGVVCYKJPZXYHO-AWEZNQCLSA-N 249.398 3.626 30 20 BHED CS[C@@H]1CCCC(=NOC2CCCC2)C1 901210121 FDHLXCVPDWFOHV-GFCCVEGCSA-N 227.373 3.607 30 20 BHED CC(=NNc1cccc(C)c1)c1ccc(F)cc1 916256440 YMNNNKQQYOTUTK-UHFFFAOYSA-N 242.297 3.970 30 20 BHED Cc1ccc(C=NNc2cccc(Cl)c2)o1 916269447 OVBOGGOGKVZGFV-UHFFFAOYSA-N 234.686 3.687 30 20 BHED C=C(Cl)COc1ccc(C(F)(F)F)cc1 916615899 HWYCUSWPWIKSOO-UHFFFAOYSA-N 236.620 3.837 30 20 BHED N#C[C@H]1CC[C@@H](NC2CCC3(CCCC3)CC2)C1 1254636447 XVCRARANZIMRJO-DZGCQCFKSA-N 246.398 3.771 30 20 BHED CC[C@@H](NC[C@H](C)CCC#N)c1ccc(F)cc1 1474385666 ALAVDAKGSCSINJ-IUODEOHRSA-N 248.345 3.806 30 20 BHED Cc1cc(C(C)(C)C)ccc1OCCC#N 36965516 SFKYUAKLCGYZQP-UHFFFAOYSA-N 217.312 3.585 30 20 BHED CC[C@H](Nc1cccc(C#N)n1)c1cccs1 81595881 JQOCHXCNPAEHIC-NSHDSACASA-N 243.335 3.578 30 20 BHED Cc1ccc(F)c(OCc2cccc(C#N)c2)c1 85555722 HPIJIBKEWBKYSB-UHFFFAOYSA-N 241.265 3.585 30 20 BHED CCCCCCCCC(=O)Nc1nccs1 109361660 YXUBFBGYSGHADM-UHFFFAOYSA-N 240.372 3.832 30 20 BHED C=CC1CCN(C(=O)C[C@H]2CCC[C@@H](C)C2)CC1 110363984 IUUSVNATINWPMA-HIFRSBDPSA-N 249.398 3.627 30 20 BHED C=CC[C@@H](C)NC(=O)Nc1cccc(C(C)C)c1 116998333 PIJAILKUCCHPJN-GFCCVEGCSA-N 246.354 3.896 30 20 BHED C=C(C)CSc1ccc(C(C)=O)cc1OC 123520095 DJSUYLMOZUIWNY-UHFFFAOYSA-N 236.336 3.566 30 20 BHED C=CCCCSCc1nc(C)cs1 126872123 JRGJGRXBZLIALI-UHFFFAOYSA-N 213.371 3.651 30 20 BHED C=CC[C@H](C)NCc1cccc2ccccc12 134747580 LNVKLPHVZFGYLL-ZDUSSCGKSA-N 225.335 3.894 30 20 BHED C=C(Cl)CN[C@@H](C)c1ccc(Cl)c(F)c1 161757092 ONBBKFLPMIYQRM-QMMMGPOBSA-N 248.128 3.882 30 20 BHED CC1(C)CCC[C@H]1Nc1cccc(CC#N)c1 313425662 KMSZCDJNYLHMHA-CQSZACIVSA-N 228.339 3.743 30 20 BHED C=C(CC)CN[C@H](C)c1ccc(C)cc1OC 313539120 PSBURPAYGSAZHD-CYBMUJFWSA-N 233.355 3.620 30 20 BHED C=CC[C@H](C)N[C@H]1CCc2c(F)ccc(F)c21 337656866 GIFPCMFLAVEFEP-ZANVPECISA-N 237.293 3.506 30 20 BHED C=CCCCCC[C@@H](C)NC[C@H](C)SC 380248706 OUOKBOFZGCBKRY-OLZOCXBDSA-N 229.433 3.853 30 20 BHED C=C(C)CNc1c(C)cc(OC)c(C)c1C 390495475 RREXVZKIJUUPJO-UHFFFAOYSA-N 219.328 3.608 30 20 BHED C[C@@H](Sc1ccc(C#N)cc1)C(F)(F)F 427534917 RXEFLLQJILSHHJ-SSDOTTSWSA-N 231.242 3.601 30 20 BHED C=CCC(CC=C)C(=O)Nc1cc(C)cc(F)c1 432197737 FDQQRUKSYMZOGW-UHFFFAOYSA-N 247.313 3.841 30 20 BHED C=CCN(CC=C)C[C@@H](C)c1ccc(F)cc1 437578235 LHYIDGNGKKNVQZ-CYBMUJFWSA-N 233.330 3.603 30 20 BHED CCC1(CN[C@H]2CC[C@H](C#N)C2)CCCCC1 442841836 GYBFUCNDXWEJAF-KBPBESRZSA-N 234.387 3.629 30 20 BHED C=C(C)CN(CC)CC#Cc1cccc(Cl)c1 448453935 FDQGCNKOLDHBSF-UHFFFAOYSA-N 247.769 3.590 30 20 BHED C=CCCCC[C@H](C)NCC(C)(C)OCC 449267491 ZTGFZZRYYKCRCV-ZDUSSCGKSA-N 227.392 3.526 30 20 BHED C=CCCCC[C@@H](C)NCCC(C)(F)F 449355214 WYOBSMKAFOJMLP-LLVKDONJSA-N 219.319 3.756 30 20 BHED C[C@H](NCC1(C#N)CC1)c1cccc(C2CC2)c1 451113738 JEZYKGTVMWIXCC-LBPRGKRZSA-N 240.350 3.518 30 20 BHED C=CC[C@H](CC)NC(=O)Nc1cccc(CC)c1 466397758 FWLLXBBHOFFOJN-ZDUSSCGKSA-N 246.354 3.725 30 20 BHED C=CCCCCNC(=O)CCCC(C)(C)C 471700561 BXPYJUYAKHXPSI-UHFFFAOYSA-N 225.376 3.675 30 20 BHED C=C(C)CCN[C@H](C)c1cccc(OCC)c1 509034432 SWAVUQIPYIMLRV-CYBMUJFWSA-N 233.355 3.702 30 20 BHED CC[C@H](CN(CC)C[C@@H](C)C#N)c1ccccc1 509811955 LOMOFERRGDYUGL-LSDHHAIUSA-N 244.382 3.662 30 20 BHED N#Cc1cccnc1NCCCC1CCCCC1 513188662 FGBLIYDTCZCCDM-UHFFFAOYSA-N 243.354 3.726 30 20 BHED C=CCC[C@H](NC[C@H]1CC1(C)C)c1ccco1 513713088 KBVCSFQMSRKDEE-OLZOCXBDSA-N 233.355 3.923 30 20 BHED CCC[C@]1(C)CCCN([C@@H]2CC[C@@H](C#N)C2)C1 555377705 SIPYDWAHBUSUFN-RBSFLKMASA-N 234.387 3.581 30 20 BHED C=CCCCCCNC(=O)C1(CCC=C)CC1 566420958 SXDORDAYBWZGEI-UHFFFAOYSA-N 235.371 3.595 30 20 BHED CC1(C)CCC[C@@H](CN2CCC[C@@H](CC#N)C2)C1 597177921 SEZUWJZVWAISIE-LSDHHAIUSA-N 248.414 3.828 30 20 BHED C=CCCCN(C)C(=O)CC1CCC(C)CC1 605644998 IPVYOJVBYWXOAO-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CCCN(CC)c1cccc(Cl)c1 606897174 ZQFLSBPKGLEAAE-UHFFFAOYSA-N 209.720 3.742 30 20 BHED C[C@H]1CCc2ccccc2[C@H]1NCCCCC#N 611392157 NALANHJEYJKCLI-BBRMVZONSA-N 242.366 3.593 30 20 BHED C[C@@H](CC(C)(C)C#N)Nc1cccc(F)c1 695788951 BHCYCZVKCAFZSI-JTQLQIEISA-N 220.291 3.566 30 20 BHED CCC1(C)CCC(=NNc2ccccn2)CC1 751522683 QYPDCHMXSNBUCD-UHFFFAOYSA-N 231.343 3.840 30 20 BHED C=C(Cl)COC(=O)c1cccc(C)c1Cl 754974348 HCKSBKIGYDRQHF-UHFFFAOYSA-N 245.105 3.558 30 20 BHED C=CCC(CC=C)C(=O)Oc1cc(C)ccc1C 758503421 GKMWGUOPDPOQFG-UHFFFAOYSA-N 244.334 3.977 30 20 BHED CC#CCCOC(=O)[C@@H](CCC)c1ccccc1 760295192 KDLRNNHDHMMYIN-HNNXBMFYSA-N 244.334 3.527 30 20 BHED CC[C@@H]1C[C@H](C)CCC1=NNc1ccc(F)cn1 769587760 YTEBTEGZLDIBDR-GHMZBOCLSA-N 249.333 3.835 30 20 BHED CC(C)CC(CC(C)C)=NOC1CCOCC1 774436264 XURTVFIOOGAATK-UHFFFAOYSA-N 241.375 3.630 30 20 BHED Cc1cc2ccccc2nc1NN=CCC(C)C 776785071 CLKYAYGVCYRWRU-UHFFFAOYSA-N 241.338 3.987 30 20 BHED Cc1cc(C(=O)/C=C/c2ccccc2Cl)no1 791434690 ZVZKKCQKDAMHQQ-VOTSOKGWSA-N 247.681 3.533 30 20 BHED CC[C@H](C)CON=C[C@H](C)c1ccc(F)cc1 793163288 IFUVQQNZANVDFV-RYUDHWBXSA-N 237.318 3.978 30 20 BHED C#C[C@@H](NC[C@@H](C)c1ccc(F)cc1)C(C)(C)C 809782822 INIJDNPHCDEEBG-IUODEOHRSA-N 247.357 3.567 30 20 BHED C#CCON=C(C)c1ccc(-c2ccccc2)cc1 812233502 UCKRFJYAMSJDBR-UHFFFAOYSA-N 249.313 3.727 30 20 BHED C=CCCC(CCC)=NNc1ncccc1C 814911985 YIYCOUXZAFOZNT-UHFFFAOYSA-N 231.343 3.924 30 20 BHED CC[C@@H](C)CON=C1CCC[C@H]1C(C)(C)C#N 814939229 IVWOHMKMLWJCHH-VXGBXAGGSA-N 236.359 3.755 30 20 BHED C=C[C@H](CC)CC(=O)N(C1CCC1)C1CCC1 820355573 RRPUSFOEYRXWEP-GFCCVEGCSA-N 235.371 3.522 30 20 BHED C=CCC1(C(=O)N2CCCCCCC2)CCCC1 823614859 YAZRKQFPPGSHFS-UHFFFAOYSA-N 249.398 3.916 30 20 BHED CCCCCCCCNC(=O)C1CC2(CC2)C1 831167440 XNWDOVJRRSXJNP-UHFFFAOYSA-N 237.387 3.653 30 20 BHED N#CC1(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CCC1 841897985 JPUYKMKXJWVVOV-SOUVJXGZSA-N 246.398 3.629 30 20 BHED CC(C)=CCC[C@H](C)CC(=O)O[C@H](C#N)C1CC1 842727815 VSFZXFCMBNRFPN-GXTWGEPZSA-N 249.354 3.604 30 20 BHED CC[C@@H](C)CC=NNc1cccc(C(=O)O)c1C 844623092 KJDJLTKEQDOMHY-SNVBAGLBSA-N 248.326 3.527 30 20 BHED C=C(C)[C@@H](C)OC(=O)c1ccsc1Cl 853114924 BAMIEBRMWFMUGM-SSDOTTSWSA-N 230.716 3.523 30 20 BHED CS[C@H]1CCCC(=NNC2CCCCC2)C1 901226567 CIXOLTYJTBETBO-ZDUSSCGKSA-N 240.416 3.570 30 20 BHED C=C(CC)C(=O)N[C@@H](c1ccc(F)cc1)C(C)C 1123734550 ODWOBPXWXKZEAO-CQSZACIVSA-N 249.329 3.605 30 20 BHED C=C(Cl)CN1CCC[C@@H]1[C@@H](C)CCC 1644935270 SPYAYSZYZJLRPD-CMPLNLGQSA-N 215.768 3.640 30 20 BHED C#Cc1cccc(N[C@H](C)CCc2ccco2)c1 35450488 QQOMWMNWUOAQGZ-CYBMUJFWSA-N 239.318 3.694 30 20 BHED C#CCCNc1ccc(-c2ccccc2)cc1 70160790 GLRYBONGNQIDDC-UHFFFAOYSA-N 221.303 3.789 30 20 BHED CC(C)(C#N)CCOc1ccc(C#N)cc1Cl 87592208 WNPFJUZAVAQQPI-UHFFFAOYSA-N 248.713 3.530 30 20 BHED C#CCCCCN[C@H](C)c1ccc(C)s1 90398636 NHXGKURVMRQDGU-GFCCVEGCSA-N 221.369 3.511 30 20 BHED C=C(C)COCCN[C@H](CCC)c1ccccc1 163507899 VWXCPVUYIOZXOV-MRXNPFEDSA-N 247.382 3.710 30 20 BHED O=C(/C=C\c1ccccc1)c1cc(F)ccc1F 168537953 WDLARRRQGZDHNR-TWGQIWQCSA-N 244.240 3.861 30 20 BHED C[C@H]1CCC[C@H](C)C1NCCCC(C)(C)C#N 182712069 APHRAUATHHZBBR-STQMWFEESA-N 236.403 3.731 30 20 BHED C=CC[C@@H](C)N[C@H]1CCCc2c(OC)cccc21 194925567 LYKOVHLFILNEFW-DOMZBBRYSA-N 245.366 3.627 30 20 BHED Cc1cccc([C@@H]2CCCN2CCCCC#N)c1 263761376 BBABVTDHKQFCNN-INIZCTEOSA-N 242.366 3.826 30 20 BHED C=CC[C@@H](C)[C@@H](C)Nc1cccc(OCC#N)c1 272911831 HXPDQGRYIUWPOZ-CHWSQXEVSA-N 244.338 3.602 30 20 BHED C=C(CC)CN[C@@H]1CCCC[C@H]1SCC 309045364 ODHHHDAMKMEZSF-CHWSQXEVSA-N 227.417 3.607 30 20 BHED CC1=C(/C(O)=N/[C@H](C)c2ncc(C)o2)CCC1 329261824 ZFVSOUJWBTVGJH-SNVBAGLBSA-N 234.299 3.501 30 20 BHED CCC(CC)(/N=C(/O)C1=C(C)CCC1)C(=N)O 331246602 SKJGZDCHJKHIHD-UHFFFAOYSA-N 238.331 3.537 30 20 BHED CCc1cccnc1NC1CCC(C)(C#N)CC1 334654980 RPMGAIWLQUVISR-UHFFFAOYSA-N 243.354 3.528 30 20 BHED CC1(C)C[C@H](Sc2ccc(C#N)cc2)CCO1 335629561 XTMQDMHODXCDSK-CYBMUJFWSA-N 247.363 3.608 30 20 BHED Cc1nc(N[C@H]2CCC[C@H]2C)c(Cl)cc1C#N 336705872 LHAJHEBTXOYCKA-PELKAZGASA-N 249.745 3.516 30 20 BHED CC1(CSc2cccc(C#N)c2)CCC1 339113557 FJSKXLZXPMPALW-UHFFFAOYSA-N 217.337 3.841 30 20 BHED CCC[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 341759936 WOMHNRNWXVNYQI-WBMJQRKESA-N 242.366 3.714 30 20 BHED C[C@@H]1CCN(CCCCC#N)CC12CCCCC2 360609366 BYOVSMVBCFXKAD-OAHLLOKOSA-N 248.414 3.973 30 20 BHED C=CCN(CCC#N)CC[C@H]1CCC[C@H](C)C1 428864779 VAXQNYDZTLMKOH-LSDHHAIUSA-N 234.387 3.604 30 20 BHED CC#CCCCC(=O)NCCCCC1CCCC1 466651369 MNBXHRIFOKYPDR-UHFFFAOYSA-N 249.398 3.657 30 20 BHED C=C(C)CS[C@H](C)C(=O)Nc1cccc(C)c1 477008160 GUYRLJXCTIKNTL-GFCCVEGCSA-N 249.379 3.631 30 20 BHED C=CCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 511838741 QIZQFOMUJQSKJR-BRWVUGGUSA-N 241.378 3.831 30 20 BHED C=CCC[C@H](N[C@@H]1CCC[C@@H]1F)c1ccco1 572731704 VKBGCSVQNIYQDN-XQQFMLRXSA-N 237.318 3.767 30 20 BHED C=CCCCCCN(C)C(=O)[C@@H](C)C(C)(C)C 606814906 XHHKXDDGDFVZDJ-CYBMUJFWSA-N 239.403 3.873 30 20 BHED CCC(CC)=NNc1cccc2cnccc12 728432206 PEDHMKHREZVBRL-UHFFFAOYSA-N 227.311 3.823 30 20 BHED C=CCOc1ccc(OC(=O)C(CC)CC)cc1 742859929 DSQVHNNPZUAQOF-UHFFFAOYSA-N 248.322 3.593 30 20 BHED CC[C@H](C)C[C@@H](C)/N=C/c1cc(OC)ccc1O 743041811 CPPFDHYGSUIMFJ-AWOYWQDDSA-N 249.354 3.644 30 20 BHED CC(C)c1nc(C(=O)/C=C/c2cccs2)co1 752887343 KCGLJWZOEOCMFM-AATRIKPKSA-N 247.319 3.756 30 20 BHED N#Cc1cccc(SC/C(Cl)=C/Cl)c1 763260606 ADJCROACOCLWGH-UITAMQMPSA-N 244.146 3.969 30 20 BHED C#CCCCCCC(=O)N1CCC[C@H](CC)CC1 779917121 ZMISWBSPFGKFGA-HNNXBMFYSA-N 249.398 3.609 30 20 BHED CC1(C)CCC1=NNc1nccc2sccc12 788995294 VFEKCQODWAWOFS-UHFFFAOYSA-N 245.351 3.884 30 20 BHED CC[C@@H](C=NOCCC1CC1)c1ccccc1 814941110 ORUZKTMJDSIGFQ-AWEZNQCLSA-N 231.339 3.983 30 20 BHED C=CCC(C)(C)c1noc(C[C@H](C)C2CC2)n1 815706672 SIGWALFLBBJCKA-JTQLQIEISA-N 234.343 3.512 30 20 BHED C=CCC(F)(F)C(=O)N[C@H](CCC)CCCC 815754131 CZOAKKPNXWTYCQ-LLVKDONJSA-N 247.329 3.673 30 20 BHED C=CCCCN[C@@H](C)c1ccc(Cl)cc1O 841752917 REPCSQRLBRHCLI-JTQLQIEISA-N 239.746 3.662 30 20 BHED CCCON=C/C(C)=C/c1ccccc1COC 842550457 GPNCBVLJTDIMTN-GLWOHCGISA-N 247.338 3.649 30 20 BHED CCCON=C1CCC(OC2CCCC2)CC1 842556650 SGFKXAQKNYMEFM-UHFFFAOYSA-N 239.359 3.671 30 20 BHED CCCON=C[C@@H]1CCC[C@@H](C(F)(F)F)C1 853368073 BCKIGRGUCJGOKW-NXEZZACHSA-N 237.265 3.768 30 20 BHED CC(CCCc1cccnc1)=NOCC1CCC1 853441381 WNPLNZXIRKSDFV-UHFFFAOYSA-N 246.354 3.597 30 20 BHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCCc2occc21 924645559 ZSULIQHKMSLDFH-DGCLKSJQSA-N 246.354 3.575 30 20 BHED C=CCC[C@H]1CCCN1C(=O)[C@H](C)CCCC 1337558370 PRLYKQYXHMSPQP-KGLIPLIRSA-N 237.387 3.770 30 20 BHED N#Cc1c(-c2cccc(F)c2)[nH]c2ccccc12 11950574 OPYXLBXPKTVJSC-UHFFFAOYSA-N 236.249 3.846 30 20 BHED CCCCN(CCCC)Cc1cccc(C#N)c1 20360954 FQFOBKOVGLAPTN-UHFFFAOYSA-N 244.382 3.960 30 20 BHED C[C@@H](c1ccc2ccccc2c1)N(C)CCC#N 53643181 XXPZKIBBKPWQBO-ZDUSSCGKSA-N 238.334 3.746 30 20 BHED C#CCCN[C@H](CC(C)(C)C)c1ccccc1 70246082 HFQKSGJWXNUPGN-OAHLLOKOSA-N 229.367 3.777 30 20 BHED CC[C@@H]1CCCN(Cc2ccc(C#N)cc2)CC1 79054647 MULSPGIDIQEUMX-CQSZACIVSA-N 242.366 3.570 30 20 BHED C=C(C)CN[C@@H](CC(F)(F)F)c1ccccc1 128484541 HJTHRYXHTXPJBM-LBPRGKRZSA-N 243.272 3.846 30 20 BHED C[C@H]1CCC[C@H](N(C)CC(C)(C)CCC#N)C1 130672252 CIRIEXCRCWSHJX-KBPBESRZSA-N 236.403 3.827 30 20 BHED C=C(CN[C@@H](C)c1nccs1)c1ccccc1 134366389 OJCZHWOKUUMPTJ-LBPRGKRZSA-N 244.363 3.507 30 20 BHED Cc1cc(OCCCC(C)(C)C#N)ccc1F 135522328 SPLZOHPYLBUTIZ-UHFFFAOYSA-N 235.302 3.843 30 20 BHED C#CCCCCNC(=O)C1(CC(C)C)CCCC1 156483524 ASHRJMLNGLTBFK-UHFFFAOYSA-N 249.398 3.513 30 20 BHED Cc1cc(C#N)ccc1COc1ccccc1F 165537595 CHKRLNHMUBVGTR-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)c1ccccc1 193024281 KKVUKVHROUAMSZ-BBRMVZONSA-N 245.366 3.808 30 20 BHED Cc1ccc(N[C@@H]2CCC[C@H](C#N)C2)c(C)c1 193108632 HWBXOHQVUORKRM-UONOGXRCSA-N 228.339 3.798 30 20 BHED C=CC[C@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 245959974 XKPXGBLQQSLZKD-GBJTYRQASA-N 249.398 3.674 30 20 BHED C[C@@H](CC(C)(C)c1ccccc1)NCCCC#N 273296062 TYUNWDKSNRTCJK-AWEZNQCLSA-N 244.382 3.636 30 20 BHED C[C@H](CCC1CC1)Nc1cccc(OCC#N)c1 274449912 SGAAIKXWEOULKO-GFCCVEGCSA-N 244.338 3.580 30 20 BHED C#CCCCCN[C@@H](CCC=C)c1ccco1 285959180 FKLKBPGXOFSVKG-AWEZNQCLSA-N 231.339 3.680 30 20 BHED N#Cc1cc(Cl)cc(OCCC(F)(F)F)c1 287693668 ZNHXRTSZNAAFAS-UHFFFAOYSA-N 249.619 3.543 30 20 BHED CC1(CNc2ccc(Cl)c(C#N)n2)CCCC1 301153985 AFDDDPDYOLNSAK-UHFFFAOYSA-N 249.745 3.599 30 20 BHED C[C@@H]1CC(C)(C)CC[C@@H]1Nc1ccc(C#N)cn1 301512856 DMDUJXKPBZVGRK-YPMHNXCESA-N 243.354 3.580 30 20 BHED C=CCC[C@H](CC)N[C@@H](C)CCC1CC1 309172600 LSCHQWYFILVJDP-JSGCOSHPSA-N 209.377 3.900 30 20 BHED C=CCC[C@@H](CC)NC[C@H]1CCCCS1 309175317 MLYDGMDRQXQSNS-CHWSQXEVSA-N 227.417 3.607 30 20 BHED Cc1c(C(C)C)c(CC#N)nc2ccc(C#N)cc12 334596174 BGHQLLRGZQBMGX-UHFFFAOYSA-N 249.317 3.604 30 20 BHED CCC1(CC)CCN(CC(C)(C)CCC#N)C1 353589199 PNCLOVZTEDJQKF-UHFFFAOYSA-N 236.403 3.828 30 20 BHED Cc1cc(CSCC2CC2)ccc1C#N 359153684 FUSRFWBTYPQMOL-UHFFFAOYSA-N 217.337 3.510 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccc(F)cc1F 393745326 JBLLHRLIBURUJX-ZYHUDNBSSA-N 239.309 3.970 30 20 BHED CC#CCN(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 441333388 SJDKAMKVNTUFBT-IAGOWNOFSA-N 241.378 3.586 30 20 BHED C=CCC1(C(=O)Nc2ccccc2F)CCCC1 449047897 SICZNBHKSZUJST-UHFFFAOYSA-N 247.313 3.901 30 20 BHED CCC[C@H](NCc1ccc(C#N)o1)C1CCCC1 459767992 LRBXFLNGCLQZDJ-HNNXBMFYSA-N 246.354 3.600 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cc(C)cc(F)c1 467977989 FQKKQEFZKIXJCC-CQSZACIVSA-N 235.302 3.675 30 20 BHED CC[C@@H](C)CN(CC)Cc1ccc(F)cc1C#N 482857800 NRYILKBGFIXPLQ-GFCCVEGCSA-N 248.345 3.565 30 20 BHED C=CCCCCCN1CCCC(C)(C)[C@@H]1C#N 488965593 MBMISEFJITUMEB-AWEZNQCLSA-N 234.387 3.747 30 20 BHED C=C(C)CCNc1ccccc1OCC(F)F 518002155 JSWJTTOBCQWODY-UHFFFAOYSA-N 241.281 3.709 30 20 BHED C=CC1CCN(C/C=C/c2ccccc2)CC1 536671255 BSLNEYWEAUEJPL-RMKNXTFCSA-N 227.351 3.598 30 20 BHED N#CC[C@@H]1CCCN(CCCC2CCCCC2)C1 597177618 QMBXQUXKDLOROW-INIZCTEOSA-N 248.414 3.973 30 20 BHED C=CCN(Cc1ccccc1)C[C@H](C)CCC#N 602443179 ADOZGRMCHNLERS-OAHLLOKOSA-N 242.366 3.614 30 20 BHED C=C(C)c1ccc([C@H](N)CC(F)(F)F)cc1 629730409 XGXYOQRBQSIQHM-LLVKDONJSA-N 229.245 3.672 30 20 BHED C=CC[C@H](C)NC(=O)CCCC[C@@H](C)CC 680202360 VISGVACXWBKNOJ-STQMWFEESA-N 225.376 3.674 30 20 BHED C=CCN(C(=O)CCCC[C@H](C)CC)C1CC1 680220075 CGKBXCVFSMNYQH-CYBMUJFWSA-N 237.387 3.770 30 20 BHED CC(=NNc1ccc(C#N)cc1)C1CCCC1 733075885 ABCWXMVDKMMHHL-UHFFFAOYSA-N 227.311 3.536 30 20 BHED C(=NNc1nccc2sccc12)C1CCCC1 741839758 PXPLBMGOZBRBAG-UHFFFAOYSA-N 245.351 3.884 30 20 BHED CC1=CC(=NOCc2cccnc2)CC(C)(C)C1 746577772 UTDXXXWETLKFHK-UHFFFAOYSA-N 244.338 3.721 30 20 BHED C=CCN(CCc1ccccc1Cl)C(C)C 746854691 BHKWKZOGGWULMN-UHFFFAOYSA-N 237.774 3.779 30 20 BHED C#CC[C@H](N[C@@H]1CCC(C)(C)C1)c1ccccc1 753687863 DIJLIDUXMUTJEX-CVEARBPZSA-N 241.378 3.919 30 20 BHED CC1(C)CCC[C@@H](C=NO[C@H]2CCCCO2)C1 755821149 PMGSUAGHOHYZEG-OLZOCXBDSA-N 239.359 3.732 30 20 BHED CC(CC1CC1)=NNc1nc2ccccc2s1 756816719 XKRAGZHBKXDXDS-UHFFFAOYSA-N 245.351 3.884 30 20 BHED Cc1ccc(F)c(NN=C[C@@H]2CC=CCC2)c1 759667323 XDMKGCBYHKCSCJ-GFCCVEGCSA-N 232.302 3.888 30 20 BHED Cc1cc(C)c(C=NNc2ccc(Cl)cc2)[nH]1 760216554 CQOZJWIIGYEYLF-UHFFFAOYSA-N 247.729 3.731 30 20 BHED C#CCCSCc1ccc(C(F)(F)F)cc1 760247037 AEYVVXKMAIVXNW-UHFFFAOYSA-N 244.281 3.962 30 20 BHED C=CCCCC[C@@H](C)NCc1ccc(C#N)cc1 773427421 GRMFEGDUVUWQEX-CQSZACIVSA-N 242.366 3.783 30 20 BHED C=C(CC)COC(=O)c1cccc(C(F)F)c1 773515239 BKYIMXZVFZKUSA-UHFFFAOYSA-N 240.249 3.747 30 20 BHED C#CCCN[C@H](c1ccccc1C)C(C)(C)C 775462757 DQNUFHPCXULCAS-OAHLLOKOSA-N 229.367 3.695 30 20 BHED Cc1ccc(F)cc1C=NN[C@H]1CCCC1(C)C 782289753 XIXKFXFBUBVZBH-AWEZNQCLSA-N 248.345 3.636 30 20 BHED C[C@H]1CCCC1=NNc1ccc(C#N)c(Cl)c1 783880812 NQCVZNPNAMVJNJ-VIFPVBQESA-N 247.729 3.800 30 20 BHED CCCCCCCC(=O)N[C@@H]1CCC1(C)C 805321188 IBYKQCWTLZWMGS-GFCCVEGCSA-N 225.376 3.652 30 20 BHED C[C@@H]1CC=CC[C@H]1COC(=O)CCCCCC#N 805869608 XBWAWICXZIGYOD-KGLIPLIRSA-N 249.354 3.606 30 20 BHED CC1(C)CCC[C@H]1NN=C1CC[C@@H]1C1CCC1 814917785 RFABKJSMELHGBI-TZMCWYRMSA-N 234.387 3.721 30 20 BHED C=C[C@H](CC)CC(=O)N(CC)Cc1occc1C 822748473 AMTJKAVSJVBTBE-CYBMUJFWSA-N 249.354 3.539 30 20 BHED CCCC(=NNc1ncccc1F)C1CCCC1 834978377 ZTKYVAIRZIXRMC-UHFFFAOYSA-N 249.333 3.979 30 20 BHED C[C@H]1CCCCCC1=NNc1ccc(F)cn1 844582435 IVRCXDCXDHLWMV-JTQLQIEISA-N 235.306 3.589 30 20 BHED N#CCC1(CSc2ncc(Cl)s2)CC1 850001557 JMAIICIZGVQXSP-UHFFFAOYSA-N 244.772 3.582 30 20 BHED C=CC[C@H]1CCCN(c2cccc(Cl)n2)C1 853801785 JJMFYHVTYQAQBQ-NSHDSACASA-N 236.746 3.528 30 20 BHED C=CCCC(C)(C)NC(=O)CCCCCC 856373928 FOPJVXJXWSCVMB-UHFFFAOYSA-N 225.376 3.818 30 20 BHED C=C[C@@H](CC)CC(=O)N1CCCC2(CCCC2)C1 935554431 RWNVFKQYHLQCNN-AWEZNQCLSA-N 249.398 3.772 30 20 BHED C=C[C@H](COC)NCC[C@H](C)CCC=C(C)C 1321090796 SVFYCSQESAMJGK-HUUCEWRRSA-N 239.403 3.550 30 20 BHED Cc1ccc(C(=O)/C=C/c2ccc(O)cc2)s1 32531683 NCGDYPSHSXAXCH-VMPITWQZSA-N 244.315 3.658 30 20 BHED C=CCNc1ccc(Cl)c(C(F)(F)F)c1 41571293 KBXFCZSBASDMOO-UHFFFAOYSA-N 235.636 3.957 30 20 BHED C=CCOc1ccccc1CN[C@H](C)[C@@H](C)CC 42553769 IZIUEWYCJQANGX-UONOGXRCSA-N 247.382 3.776 30 20 BHED C=CC[C@H](C)NC(=O)[C@H](c1ccccc1)C(C)C 80348445 CFBYXPVYVIFNPN-ZFWWWQNUSA-N 245.366 3.507 30 20 BHED C=CC[C@@H](C)N[C@H](CC)c1ccccc1 116907928 CGVMOXMLCCTAGA-TZMCWYRMSA-N 203.329 3.692 30 20 BHED C=CCCCC(=O)N(CCC)Cc1ccccc1 175201739 RIYBEOPINXZVGG-UHFFFAOYSA-N 245.366 3.782 30 20 BHED C=CCC[C@@H](CC)NCCSC(F)(F)F 178419436 ILWLCRWCULBLQO-SECBINFHSA-N 241.322 3.574 30 20 BHED C[C@H]1CC[C@H](NCCCC#N)c2ccccc21 273277044 PNRAZIGNXAIRFB-WFASDCNBSA-N 228.339 3.518 30 20 BHED C[C@H](N[C@H](C)CCC#N)c1cc2ccccc2o1 276632510 WIRLIPZVOQIEBW-NEPJUHHUSA-N 242.322 3.776 30 20 BHED C=CCCCCC[C@@H](C)NC1CC=CC1 308918064 BPNLYUIQMNTUGM-CYBMUJFWSA-N 207.361 3.820 30 20 BHED C=CCC(C)(C)CN[C@@H]1CCCC[C@H]1C 310169898 PEVDEPXDNCZOJE-CHWSQXEVSA-N 209.377 3.757 30 20 BHED CC[C@H](Nc1cccc(CC#N)c1)C1CCC1 313413692 WRXHYENHLQZIGO-HNNXBMFYSA-N 228.339 3.743 30 20 BHED Cc1cnc(N=C(O)C(C2CCC2)C2CCC2)o1 329337668 PYLJSDBWUWDKKO-UHFFFAOYSA-N 248.326 3.787 30 20 BHED C=CCC(C)(C)CN[C@H]1CC[C@H]1C1CCC1 378848674 CCMSFZKULFYLOY-KBPBESRZSA-N 221.388 3.757 30 20 BHED C=CCC[C@H](CCC)NCCC[C@@H]1CCOC1 449678736 BSEDUNZZDDUFOM-CABCVRRESA-N 239.403 3.528 30 20 BHED CC(C)N(CC1(C#N)CCC1)c1ccc(F)cc1 450530887 FRWPQZCHFFLAEE-UHFFFAOYSA-N 246.329 3.734 30 20 BHED C=CCC1(C(=O)N[C@H](C)CCC=C(C)C)CCC1 452537878 AZWHJSXPMGMSDB-CQSZACIVSA-N 249.398 3.984 30 20 BHED C=CCC(C)(C)C(=O)N(C)c1cccc(CC)c1 457327519 ODJQCRIVOZUOJF-UHFFFAOYSA-N 245.366 3.814 30 20 BHED C=CCN1Cc2ccccc2C[C@H]1c1ccccc1 464728222 XXSDRQPAKONECG-SFHVURJKSA-N 249.357 3.972 30 20 BHED C=CCCCCCN(C)C(=O)C1(CCC=C)CC1 476091093 OMEHLTNVVCLEPU-UHFFFAOYSA-N 249.398 3.938 30 20 BHED C=C1CCN(C(=O)C[C@@H]2CCCCC2(C)C)CC1 503032195 KZDWEFKDWUBVKB-AWEZNQCLSA-N 249.398 3.772 30 20 BHED CCCc1ccc(CN(CC)C[C@H](C)C#N)cc1 505891948 SLFXQKRNYMRLRN-CQSZACIVSA-N 244.382 3.621 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C 539073593 OJFZPGMZJGDNER-NWDGAFQWSA-N 248.326 3.518 30 20 BHED C=CCCNc1ccc(F)cc1SC 647636961 CSILHNPMMJGVMB-UHFFFAOYSA-N 211.305 3.536 30 20 BHED C=CCCN[C@@H]1CCC[C@@H](c2ncccc2C)C1 658113920 JOFHWMDKEWPBNY-HUUCEWRRSA-N 244.382 3.582 30 20 BHED C=CCCCC(=O)O[C@H]1CCc2ccc(F)cc21 748674937 JEIFOFZRXWBPLD-AWEZNQCLSA-N 248.297 3.713 30 20 BHED CCCCCCCC(=O)Nc1ncccc1CC 752651730 PEKCZOVBVPBAQT-UHFFFAOYSA-N 248.370 3.943 30 20 BHED CCCCCCCCNC(=O)C1[C@H]2CCC[C@H]12 755214414 FLDLNFBABGQYFG-STQMWFEESA-N 237.387 3.509 30 20 BHED CCON=C(C)c1ccccc1SCC 759649195 VMWXWSQQCMLWFG-UHFFFAOYSA-N 223.341 3.559 30 20 BHED CCC(CC)NN=C1CC[C@H](C)[C@H](C)C1 767378070 DUIWJPXHUWUVPV-WDEREUQCSA-N 210.365 3.577 30 20 BHED C#CC[C@@H](N[C@H](C)CCC1CC1)c1ccccc1 769415158 WBGBGZBMCIHUDC-RHSMWYFYSA-N 241.378 3.919 30 20 BHED C=C(CC)COC(=O)C[C@H]1CCc2ccccc21 773515816 OHWNOIJKPLPDFD-CQSZACIVSA-N 244.334 3.616 30 20 BHED C[C@H](C=NOC1CCCC1)c1ccc(F)cc1 774597229 REAICSQXWBZMET-LLVKDONJSA-N 235.302 3.874 30 20 BHED O=C(/C=C\c1cscc1Cl)c1ccncc1 776187962 FJQWSNHKVZUJMW-UPHRSURJSA-N 249.722 3.693 30 20 BHED C=CC[C@@H](C(=O)OCCCC)c1ccccc1 778416694 BBZZFRZFGOQJNY-CQSZACIVSA-N 232.323 3.690 30 20 BHED CCC(C[C@H](C)CC)=NNc1ccc(OC)cn1 780267292 JJZLKSWKJCACJM-LLVKDONJSA-N 249.358 3.704 30 20 BHED C#CC[C@@H](N[C@@H]1CC=C(C)CC1)c1ccccc1 788691066 XSBOYXWRHDHUSI-IAGOWNOFSA-N 239.362 3.839 30 20 BHED Cc1cc(C)c(NN=C2CSC[C@H]2C)c(C)c1 794914643 KKMQDGCVXXMGKQ-GFCCVEGCSA-N 248.395 3.763 30 20 BHED C[C@@H]1CC(C)(C)CCC1=NNc1ncccc1F 794983459 BKGMTMWKPLWXPL-SNVBAGLBSA-N 249.333 3.835 30 20 BHED C#CCCCCCC(=O)N[C@@H](C)c1ccsc1 801015443 AHDGUXOBSQNSPL-LBPRGKRZSA-N 249.379 3.509 30 20 BHED C=CC[C@H](Cc1ccccc1)N[C@@H]1CC[C@H]1C 840888034 VHUJHSAIMUYUTG-FVQBIDKESA-N 229.367 3.562 30 20 BHED C=C[C@H](C)ON=C[C@@H]1CCC[C@H](C(F)(F)F)C1 853369093 HEBKKQCUBLFEDD-AXFHLTTASA-N 249.276 3.932 30 20 BHED CC[C@@H](C)CC=NNc1ccc(C(C)(C)C)nn1 1328092286 YFTYYCCXAOJLOB-LLVKDONJSA-N 248.374 3.608 30 20 BHED C=C(C)CCC(=O)Nc1ccc(C)c(OC)c1C 1339481408 AUEQXXKLVIFTQK-UHFFFAOYSA-N 247.338 3.607 30 20 BHED CCCOc1cccc(C=NOC(C)(C)C)c1 1341311206 XQMJMHMJLOTSJE-UHFFFAOYSA-N 235.327 3.624 30 20 BHED CC(C)CC[C@H](C)Nc1ccc(OCC#N)cc1 20126559 UZSUSTGMBLOVFK-ZDUSSCGKSA-N 246.354 3.826 30 20 BHED N#Cc1ccc(CSc2ccccc2O)cc1 50046846 AQTYSNBLKRWXRS-UHFFFAOYSA-N 241.315 3.556 30 20 BHED C=CCOc1ccccc1CN[C@@H]1CCC[C@@H]1C 71206461 HMIVFEUPDKCFQD-DZGCQCFKSA-N 245.366 3.530 30 20 BHED CC[C@@H](NCCC(C)(C)C#N)c1cccs1 83638567 LRJGFUHYLLLMFL-LLVKDONJSA-N 236.384 3.729 30 20 BHED C=C(CC)COc1ccc2c(c1)CCCC2=O 97208094 YZGWZAZPNBHPRN-UHFFFAOYSA-N 230.307 3.551 30 20 BHED N#CC1(c2ccc(F)c(C(F)(F)F)c2)CCC1 114254417 XGDBXTRAVRDSBQ-UHFFFAOYSA-N 243.203 3.790 30 20 BHED C=CC[C@H](C)NC(=O)C[C@H](C)c1ccccc1C 116851552 SDZLGOFGDXARRT-KBPBESRZSA-N 245.366 3.569 30 20 BHED C=CC[C@@H](C)NCc1ccc(Cl)c(F)c1 116926877 LQKOLYOYHOAWKH-SECBINFHSA-N 227.710 3.533 30 20 BHED C=CCC[C@@H](NCc1cc(C(C)C)no1)C1CC1 121184007 VZYYQOKTTVKTFL-CQSZACIVSA-N 248.370 3.632 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cc(C)ccc1C 125234798 UQPRNZBNELJDMF-ZIAGYGMSSA-N 217.356 3.919 30 20 BHED CC[C@@H]1CCCN(CC(C)(C)CCC#N)CC1 128856846 FOFGJNZQJJTXEC-CQSZACIVSA-N 236.403 3.828 30 20 BHED C=C[C@@H](C)N[C@@H](CCC)c1cccc([N+](=O)[O-])c1 132680084 DYPGQRKGEDSDIA-RISCZKNCSA-N 248.326 3.600 30 20 BHED N#Cc1ccc(O[C@@H]2C=CCCC2)c(Cl)c1 169085216 KQMPOVMKVFHLRE-LLVKDONJSA-N 233.698 3.699 30 20 BHED CCC[C@H](C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 175789741 ITVBOSKBZBSLDO-RYUDHWBXSA-N 245.322 3.599 30 20 BHED C=CCC[C@@H](NCC(F)(F)F)c1ccccc1 180041666 OPJADECTFZJAEB-GFCCVEGCSA-N 243.272 3.846 30 20 BHED C=CCCC[C@@H](C)NC(=O)C1(CC)CCCC1 182600663 YZSSLHJQELAKJQ-CYBMUJFWSA-N 237.387 3.818 30 20 BHED CC#CCCCC(=O)Oc1ccccc1C(C)C 184950579 UFWUXKHOWFFZHU-UHFFFAOYSA-N 244.334 3.909 30 20 BHED C=CCOc1cccc(CNC(C)(C)CCC)c1 236767208 DKWNHRAINPSSOY-UHFFFAOYSA-N 247.382 3.920 30 20 BHED C=C(C)CSCc1sc(C)nc1C 266372769 VHEDFGUGVXJLID-UHFFFAOYSA-N 213.371 3.569 30 20 BHED C=C(C)CCSc1nnc(SCC)s1 274761841 SSOYUOHWLYJAJY-UHFFFAOYSA-N 246.426 3.708 30 20 BHED C=CCC[C@@H](N[C@@H](C)CSC)c1ccco1 285947817 GAGBKSVLPYYEEZ-NWDGAFQWSA-N 239.384 3.628 30 20 BHED C#CCCCN(Cc1ccccc1)[C@@H](C)CC 307004676 DUOOBEDUHMGDAY-HNNXBMFYSA-N 229.367 3.701 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccnc(Cl)c1 309700444 MMCYHMBUXXGGHU-JQWIXIFHSA-N 238.762 3.740 30 20 BHED CC1(C#N)CCC(N[C@H]2CC[C@H](C)CC2)CC1 334576105 HOXMHTGSUBUXGR-RBAFREBBSA-N 234.387 3.627 30 20 BHED C=CCC(CC=C)c1nc(-c2ccoc2)no1 445463968 LIKTZGMPQOHBNI-UHFFFAOYSA-N 230.267 3.565 30 20 BHED C=CCCCCCS[C@@H]1CCCOC1 447301327 JKVNZPRQKNQBHJ-GFCCVEGCSA-N 214.374 3.645 30 20 BHED C=CCCCC(=O)N(CC(C)C)CC(C)(C)C 475001472 NDFLLILOOKGANI-UHFFFAOYSA-N 239.403 3.873 30 20 BHED C=CCCCC(=O)N[C@@H](c1ccccc1)C(C)C 479891451 ZXTZNDHLNZVPQZ-MRXNPFEDSA-N 245.366 3.856 30 20 BHED C=CCCCN(C)Cc1cc2ccc(F)cc2[nH]1 488329367 XZJSSKFJKDMWIH-UHFFFAOYSA-N 246.329 3.705 30 20 BHED CCOc1ccc(C#N)cc1N[C@@H]1CC[C@@H](C)C1 500994799 HUWQJZRNSDFMGA-DGCLKSJQSA-N 244.338 3.557 30 20 BHED C=C(C)CN(CC)CCSc1ccccc1 522775446 VZZZTJQARVSDRU-UHFFFAOYSA-N 235.396 3.677 30 20 BHED C=CCS[C@H](C)CCc1ccccc1 524460066 VIABBNCKDIYYJE-GFCCVEGCSA-N 206.354 3.927 30 20 BHED C=CCCN1[C@@H](C)c2ccc(OC)cc2C[C@H]1C 543848084 YMLSOJNRTHOOEI-OLZOCXBDSA-N 245.366 3.579 30 20 BHED C=CCC[C@@H](C)NCc1ccc2[nH]c(C)cc2c1 556899206 YLOGCSVHLMJWNK-GFCCVEGCSA-N 242.366 3.921 30 20 BHED CC(C)=CCSCc1ccccc1C#N 558096570 TUTOKWFBVCFBRX-UHFFFAOYSA-N 217.337 3.758 30 20 BHED Cc1cc(F)ccc1NC(=O)CCCCCC#N 588147350 VNIATZLEKZISJU-UHFFFAOYSA-N 248.301 3.547 30 20 BHED CC(C)c1cccc(CN(C)CC(C)(C)C#N)c1 595500819 MDFOOQDXWZRWMX-UHFFFAOYSA-N 244.382 3.792 30 20 BHED N#Cc1ccc(Cl)cc1N1C[C@@H]2CCCC[C@@H]21 596295527 WGCBOFFPEVYSRL-AAEUAGOBSA-N 246.741 3.590 30 20 BHED C=CCCN1CC[C@H](c2ccccc2)[C@@H](C)C1 607751998 BTVMLKZLAOYXOF-HOCLYGCPSA-N 229.367 3.688 30 20 BHED CCC#C[C@H](C)N[C@@H](C)[C@@H](C)c1ccccc1 680385117 WZHGWTMOTMGFOL-ZNMIVQPWSA-N 229.367 3.570 30 20 BHED Cc1cc(C#N)cc(N[C@H](C)CC(C)(C)C#N)c1 695885930 JNCYYGVGIDXKET-GFCCVEGCSA-N 241.338 3.607 30 20 BHED C[C@@H]1CC(C)(C)C[C@@H]1Nc1cc(F)cc(C#N)c1 718564046 JAEXWEXHSWFQIY-YGRLFVJLSA-N 246.329 3.934 30 20 BHED CCCCCCCC(=O)N1CCC[C@@H]1CC 727734274 LOJVHXXMOUDXLJ-ZDUSSCGKSA-N 225.376 3.748 30 20 BHED CCCCCC[C@@H](C)NN=C(C)c1ccccn1 743450758 PUTDXRUZNDYNHO-CYBMUJFWSA-N 247.386 3.754 30 20 BHED CCCCCCCCOC(=O)c1cncc(C)c1 745505797 XDFFCSUYJBZAIP-UHFFFAOYSA-N 249.354 3.907 30 20 BHED CCCC(CCC)=NOCc1cccnc1 746588476 OJWGADQTCIAAFT-UHFFFAOYSA-N 220.316 3.554 30 20 BHED Cc1ccnc(NN=C2CCC(C)(C)CC2)c1 755899971 IVJKWXQVFJOUIY-UHFFFAOYSA-N 231.343 3.758 30 20 BHED C=CCC(CC=C)C(=O)NC1CCCCCCC1 758355525 VVRFMKBHBHTINQ-UHFFFAOYSA-N 249.398 3.984 30 20 BHED CCC(C[C@@H](C)CC)=NOCC(F)(F)F 764847214 USKRYMUAWUNVFA-QMMMGPOBSA-N 225.254 3.768 30 20 BHED Clc1csc(C=NOC2CCCC2)c1 782267869 LYWBRPJVBLZWSA-UHFFFAOYSA-N 229.732 3.695 30 20 BHED C#CCN(C[C@@H](C)c1cccc(Cl)c1)C1CC1 783676732 KNNKOHXKVRBWBA-GFCCVEGCSA-N 247.769 3.541 30 20 BHED C=C[C@](C)(CC)C(=O)Oc1ccc(F)cc1C 786642073 MYKWUWLUSKKLAA-CQSZACIVSA-N 236.286 3.642 30 20 BHED C=CCCCCC[C@H](C)N[C@H](C)c1cnn(C)c1 793533896 KZMWLPZMAMYUAZ-UONOGXRCSA-N 249.402 3.596 30 20 BHED CCCCCCCN1CC[C@H](c2ccccn2)C1 799191892 UWDTWHGOFQGDQR-HNNXBMFYSA-N 246.398 3.841 30 20 BHED C=CCCCCCCN[C@@H]1CCC[C@@H](C#N)C1 806167975 OYFGJOZMUHJQGF-HUUCEWRRSA-N 234.387 3.795 30 20 BHED C#CCC(C)(C)c1nc([C@@H]2CCC[C@H](C)C2)no1 809344606 UVMUVIQVKAJVHK-NWDGAFQWSA-N 246.354 3.664 30 20 BHED C=CCC1(N[C@H](C)CC(C)(C)C)CCOCC1 827146009 AVOCUCMACBVFLN-CYBMUJFWSA-N 239.403 3.526 30 20 BHED c1ccc(CON=C2CCCC23CCC3)cc1 834939314 YPELXEDVWWIOKD-UHFFFAOYSA-N 229.323 3.913 30 20 BHED CSCC1CCC(=NOCC2CCC2)CC1 853440466 FQFSQCFHQACUIO-UHFFFAOYSA-N 241.400 3.712 30 20 BHED CCCCCC[C@H](C)NC[C@H](C)CCC#N 876905677 WNAAADVJAGCWRW-KGLIPLIRSA-N 224.392 3.875 30 20 BHED C=C1CCC(C(=O)N(C2CC2)[C@@H](C)C2CC2)CC1 888117092 XHKQWPQZYURFLV-LBPRGKRZSA-N 247.382 3.522 30 20 BHED CCC[C@@H](Nc1ccc(C#N)c(C)n1)C(C)(C)C 1612396498 KXWDCVAVQZJUMX-CYBMUJFWSA-N 245.370 3.888 30 20 BHED C[C@@H](Nc1cccc(OCC#N)c1)C1CCCC1 54079523 HCXHNMUMCHHSMR-GFCCVEGCSA-N 244.338 3.580 30 20 BHED C=CCOc1ccc(CN[C@@H]2CCC[C@@H]2C)cc1 71205957 MEXMVCVPXIYWOU-XJKSGUPXSA-N 245.366 3.530 30 20 BHED CC(C)CCN(CCCC(C)(C)C#N)C1CC1 116025325 YAMVSFDXSWAVHY-UHFFFAOYSA-N 236.403 3.827 30 20 BHED C=CCC[C@H](NCc1ccccc1)C1CC1 119819842 HYUYXXKHZRXSOP-HNNXBMFYSA-N 215.340 3.521 30 20 BHED C=C(Cl)CN[C@H]1c2ccccc2CC[C@H]1C 132263712 IAIQPSNZPCAZPB-QMTHXVAHSA-N 235.758 3.652 30 20 BHED Cc1ccccc1OCCSCCCCC#N 161022967 JIAJTTJJXPGLBU-UHFFFAOYSA-N 249.379 3.801 30 20 BHED CC#CCCNCc1c(Cl)oc2ccccc12 166295352 JPEQJYNZSGOJMR-UHFFFAOYSA-N 247.725 3.589 30 20 BHED CC1(C)CC[C@H](CSc2cccc(C#N)c2)O1 187692460 PCEYEAJUIURGSQ-GFCCVEGCSA-N 247.363 3.608 30 20 BHED C=CCC[C@H](CCC)NCC1(SC)CC1 193816651 OHENORIQOIYQGU-LBPRGKRZSA-N 227.417 3.607 30 20 BHED C#C[C@@H](CC)NC1CCC(c2ccccc2)CC1 229884510 QUGWVDZFRVNKCZ-CGZBRXJRSA-N 241.378 3.714 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccc(F)cc1O 281463574 DYFHWNBYNUCMRV-PWSUYJOCSA-N 237.318 3.537 30 20 BHED CCN(CCC#N)[C@H](C)c1ccccc1Cl 299447976 YMBOIWOHRITGBW-LLVKDONJSA-N 236.746 3.637 30 20 BHED C#CCCCNc1cc(SC)ccc1C 309075579 JXXAMMHDZMJVTF-UHFFFAOYSA-N 219.353 3.542 30 20 BHED CC[C@H](C)c1ccc(OCCO[C@H](C)C#N)cc1 310716335 NZIXFKKFRLDIRU-QWHCGFSZSA-N 247.338 3.508 30 20 BHED C[C@@H]1CC(C)(C)CC[C@@H]1Nc1cc(C#N)ccn1 342792102 SRVGLUFVUSHAAJ-YPMHNXCESA-N 243.354 3.580 30 20 BHED C=C(CC)CN(CC)Cc1cccs1 358623584 GPFRTPDPHLCTHA-UHFFFAOYSA-N 209.358 3.536 30 20 BHED CC(C)N(CCCCC(C)(C)C#N)CC(F)F 383009891 JRBYHXGZFPGROQ-UHFFFAOYSA-N 246.345 3.682 30 20 BHED C=CCCCCCCNc1ccnc(C#N)c1 383887683 UBMBJYAROOWQRN-UHFFFAOYSA-N 229.327 3.502 30 20 BHED C=CCCCCNCc1cccc(Cl)c1 389605312 XSYBIJOJOLGAGC-UHFFFAOYSA-N 223.747 3.786 30 20 BHED CCC1(C)CCC(NCC2(C#N)CCC2)CC1 418144303 SLLYVWQUGOITEF-UHFFFAOYSA-N 234.387 3.629 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc(Cl)cc1OC 421832893 GSGFKZFMLFXZOY-UWVGGRQHSA-N 239.746 3.574 30 20 BHED C=C(C)CSCc1nccn1-c1ccccc1 434631169 OWRLUZHVWMELPW-UHFFFAOYSA-N 244.363 3.682 30 20 BHED C=CC(C)(C)CN[C@@H]1CCC[C@@H]1CCCF 453310475 RDZQUJVUAVFZHD-CHWSQXEVSA-N 227.367 3.707 30 20 BHED CC#CCCSCCCc1cccc(OC)c1 462353803 BFVIQXQRFFDPCR-UHFFFAOYSA-N 248.391 3.774 30 20 BHED CC[C@@]1(C)CCCN(c2cccc(F)c2C#N)C1 462934973 FQXLMHBNRYTDOH-HNNXBMFYSA-N 246.329 3.714 30 20 BHED CC#CCSC[C@@H]1CCC2(CCCCC2)O1 466740101 WNACRNIGHJTSHY-ZDUSSCGKSA-N 238.396 3.625 30 20 BHED C=CC[C@@H]1N(C(=O)[C@@H](C)CC)CCCC1(C)C 470298192 RHMHOMCWKKJAFX-STQMWFEESA-N 237.387 3.626 30 20 BHED C=CCCCC(=O)N[C@@H]1CCC[C@H]1CCCC 479664570 WUZILKLJSPBBFL-ZIAGYGMSSA-N 237.387 3.818 30 20 BHED C=CC[C@H](CC)N[C@H]1CCc2ccc(F)cc21 500804413 GPKYHCJQWJMKEK-ZFWWWQNUSA-N 233.330 3.757 30 20 BHED C=CCCCN1CCC[C@H]1c1ccccc1OC 522775664 SBDJFKRRDGUHPG-HNNXBMFYSA-N 245.366 3.798 30 20 BHED N#Cc1cccc(CNc2cccc3cc[nH]c23)c1 547811716 MZQXNZAUEPBTPB-UHFFFAOYSA-N 247.301 3.652 30 20 BHED CCC(CC)(CC)NCCc1ccc(C#N)cc1 595376301 HVMMLCKOYKVHED-UHFFFAOYSA-N 244.382 3.659 30 20 BHED CC[C@H](NC[C@@H](C)CCC#N)c1ccc(C)cc1 602500491 ZLNFNSQDJXLIGW-HOCLYGCPSA-N 244.382 3.976 30 20 BHED CCC(C)(C)c1ccc(CN[C@H](C)CC#N)cc1 611059296 DHKRADAEPGITQE-CYBMUJFWSA-N 244.382 3.766 30 20 BHED Cc1ccsc1C(=O)/C=C\c1c(C)noc1C 733749420 WHLVEHIYNAUUPN-PLNGDYQASA-N 247.319 3.557 30 20 BHED C=CCOC(=O)C[C@H](CC)c1ccc(C)cc1 738688350 LGXVPEQEXJVPKY-ZDUSSCGKSA-N 232.323 3.608 30 20 BHED C=CCCC(=NNc1ccccc1)C1CC1 747737415 ZSBCLOQPVZTWPE-UHFFFAOYSA-N 214.312 3.831 30 20 BHED Cc1ccc(F)c(NN=Cc2ccc(F)cc2)c1 759653904 WOYQRCAILPHQGQ-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C#CCCCSCc1c(F)cccc1F 779777051 NADXYDCNAVBCAX-UHFFFAOYSA-N 226.291 3.611 30 20 BHED C=CCCCCCOC(=O)c1ccc(C#N)s1 783996387 AYAPLMBSEFKRIB-UHFFFAOYSA-N 249.335 3.523 30 20 BHED CCCCCC=NNc1cccc(Cl)n1 793181064 IBVZCLGSRWAYJC-UHFFFAOYSA-N 225.723 3.713 30 20 BHED C[C@H](C=Nn1cnc2ccccc21)C(C)(C)C 800809199 FJTBVGONMJMFQQ-LLVKDONJSA-N 229.327 3.552 30 20 BHED C=CCCCCCCNC(=O)[C@](C)(C=C)CC 805219077 UUURVDUWFGUAME-OAHLLOKOSA-N 237.387 3.841 30 20 BHED C#C[C@@H](NCc1ccc2occc2c1)C(C)(C)C 809781053 FSAONMXIKOYFSP-OAHLLOKOSA-N 241.334 3.570 30 20 BHED CC(C)OCCON=C1CCCCCCC1 812239794 FLAACVPNWWQJNP-UHFFFAOYSA-N 227.348 3.528 30 20 BHED CCC(C=NNc1ccccc1F)CC 812458645 HTNXKGSMUZWAIC-UHFFFAOYSA-N 208.280 3.660 30 20 BHED CC(C)CCC=NNc1cccc(Cl)n1 814939543 UZYFRCPURCXMAA-UHFFFAOYSA-N 225.723 3.569 30 20 BHED CCOc1cccc(N[C@H](C)CC(C)(C)C#N)c1 829179169 KTICZNGUYIYNFT-GFCCVEGCSA-N 246.354 3.826 30 20 BHED CCC(CC)NN=C(C)CCCc1cccnc1 834958914 AMCMQEDLLIWWAD-UHFFFAOYSA-N 247.386 3.558 30 20 BHED C[C@@H](C=NN1CCCC[C@H]1C)c1ccccc1 853378512 FNWXEUMPPXXFCJ-UONOGXRCSA-N 230.355 3.650 30 20 BHED N#CC1(CCCCSCC2CC2)CCC1 901548633 OOGKUHKUSNMHHU-UHFFFAOYSA-N 223.385 3.994 30 20 BHED C=C(C)CCC(=O)Nc1ccc2[nH]c(C)cc2c1 1335691730 YAADPCWWAIRLEV-UHFFFAOYSA-N 242.322 3.771 30 20 BHED Cc1ccc2c(c1)CCCN2C[C@H](C)CCC#N 1560742883 SHTMGAWNPGYTTH-CQSZACIVSA-N 242.366 3.688 30 20 BHED N#CCCN(CCC1CCCC1)Cc1ccco1 81517859 NECXPMDHPIAJQL-UHFFFAOYSA-N 246.354 3.576 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 119353497 LOXIHRPFWXWGMY-ZJUUUORDSA-N 241.281 3.513 30 20 BHED C#CCCCCC(=O)N(CCCCC)C(C)C 119669324 KSFNPUFTGBMUAH-UHFFFAOYSA-N 237.387 3.607 30 20 BHED C=CCN(Cc1ccc(C)o1)Cc1cccs1 119931658 XDHVMTSLMRMMQJ-UHFFFAOYSA-N 247.363 3.838 30 20 BHED C#CCCCCC(=O)N([C@@H](C)CC)[C@@H](C)CC 122463287 YCHDTGHPJIGCNI-KBPBESRZSA-N 237.387 3.606 30 20 BHED C=CCCCC[C@H](C)NCc1ccc(C)o1 131933330 CSVBJPBWYQWYKB-LBPRGKRZSA-N 221.344 3.813 30 20 BHED C=CCCC(=O)Nc1ccc(CCC)cc1 171422695 JULCZBAWBPLTKC-UHFFFAOYSA-N 217.312 3.544 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CC(C)(C)OC1(C)C 181259769 FAFCNJGXKYFOGY-YNEHKIRRSA-N 239.403 3.523 30 20 BHED CCCC[C@@H](C)Nc1cccc(CC#N)c1 313476997 KQSCLKINGDQUFX-GFCCVEGCSA-N 216.328 3.743 30 20 BHED C=CCCN[C@H](CCC)c1ccc(F)cc1F 338569761 WEQMRNWBVDBMHB-CQSZACIVSA-N 239.309 3.972 30 20 BHED C=CCC[C@H](C)NCC1(C)CCC(OC)CC1 355108634 DPOCTLMROGHFSY-NFOMZHRRSA-N 239.403 3.526 30 20 BHED C=CCOCCCSc1ccc(F)cc1 356039574 MOOBGLQQCOXOBP-UHFFFAOYSA-N 226.316 3.511 30 20 BHED N#Cc1ccc(SCCC2CC2)c(F)c1 358779796 KQGMYJGMGQWPRN-UHFFFAOYSA-N 221.300 3.590 30 20 BHED C=C(Cl)CN[C@@H](C)[C@@H]1CC2CCC1CC2 382118783 LLIDKNMMHAUBFW-WTIISPKJSA-N 227.779 3.543 30 20 BHED C=CC[C@@H](C)NCc1cc(C)cc(Cl)c1 382323031 UJUDYWJVTMHXIN-LLVKDONJSA-N 223.747 3.703 30 20 BHED C=CC[C@H](CC)N[C@@H](C)CSC(C)(C)C 389977204 GKHBVHRTJFQFHJ-RYUDHWBXSA-N 229.433 3.851 30 20 BHED CC[C@H](C)CN(CC)[C@H](C)c1ccc(C#N)cc1 409445294 DMGJIFBPJCMBSG-UONOGXRCSA-N 244.382 3.987 30 20 BHED C[C@@H]1CN([C@H](C)c2cccc(C#N)c2)[C@@H](C)[C@@H]1C 419335584 HXZOHKSLNYWKKG-YIYPIFLZSA-N 242.366 3.596 30 20 BHED C=CCC1(C(=O)N2CCCC[C@@H]2C)CCCCC1 448569493 QKIGDQBFOCINHW-AWEZNQCLSA-N 249.398 3.914 30 20 BHED C=CCC[C@H](CCC)N[C@@H](C)C(C)(F)F 449416915 WFSZCAPZJSHHON-QWRGUYRKSA-N 219.319 3.755 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C[C@@H]1CCC[C@H](C)C1 488878900 QTZDCJHSBRKSJT-RRFJBIMHSA-N 249.398 3.770 30 20 BHED C=CCCCc1nc(-c2ccccc2C)no1 544934659 DLEHTFVYHITRNQ-UHFFFAOYSA-N 228.295 3.554 30 20 BHED N#CCCCCN1CC[C@@H](C2CCCCC2)C1 595732185 CSNFQBGKGTUCFB-OAHLLOKOSA-N 234.387 3.582 30 20 BHED C[C@@H](CCC1CCCCC1)NCC1(C#N)CC1 619534984 JFXANIALGADDBD-ZDUSSCGKSA-N 234.387 3.629 30 20 BHED N#C[C@@H]1CC[C@H](Nc2ccc(C3CC3)cc2)C1 619673246 PFNCMULBEAEACM-ABAIWWIYSA-N 226.323 3.668 30 20 BHED C=CCC[C@@H](CC)N[C@@H]1CCc2ccc(O)cc21 658238844 LBALUXWGUXYLCE-CZUORRHYSA-N 245.366 3.714 30 20 BHED C=C(Cl)CN1CCC[C@H](Cc2ccccc2)C1 730062356 LUDIECGGGODYOI-OAHLLOKOSA-N 249.785 3.694 30 20 BHED CCCCCCCCNC(=O)CSC(C)C 754850373 MQPCJMZYODATJM-UHFFFAOYSA-N 245.432 3.605 30 20 BHED CC[C@@H]1C[C@H](C)CCC1=NO[C@H]1CCCCO1 769583067 BLGHXYQUWAOROR-BZPMIXESSA-N 239.359 3.732 30 20 BHED C=C(CC)COc1c(F)cc(F)cc1C(C)=O 773212515 JBHUZBVYVWCBPM-UHFFFAOYSA-N 240.249 3.512 30 20 BHED C=CCN(C)C(=O)CCCCCCCCC 777841210 FHNNOQZREVHIRF-UHFFFAOYSA-N 225.376 3.772 30 20 BHED C#CCCCCCC(=O)OCCC(C)(C)C 780257451 BDSOALYQNRDYGL-UHFFFAOYSA-N 224.344 3.550 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C=C1CCC(C)CC1 785851538 CJWPDXXCZVTKOD-AWKYBWMHSA-N 247.382 3.690 30 20 BHED CC[C@@H](C)CON=C(C)c1nc(C)sc1C 793146231 OPYLZRULURLPPG-MRVPVSSYSA-N 240.372 3.547 30 20 BHED C#CCSc1nc(C)c(C)n1C1CCCCC1 809466496 QANTZVLHUNPJED-UHFFFAOYSA-N 248.395 3.730 30 20 BHED CC(=NNc1ccccc1F)c1ccccc1C 812459472 AUTUOJLDHPEPBO-UHFFFAOYSA-N 242.297 3.970 30 20 BHED CCC(C=NOCCSC)(CC)CC 814922101 UDGVSFSRLRAARN-UHFFFAOYSA-N 217.378 3.568 30 20 BHED Cc1nc(S[C@@H]2CC[C@@H](C#N)C2)sc1C 829227381 NCIXVNWQJUHXFK-NXEZZACHSA-N 238.381 3.544 30 20 BHED C=CCC1(C(=O)O[C@H](C)CC(C)(C)C#N)CCC1 851206765 PFYSJADGEGFYJB-GFCCVEGCSA-N 249.354 3.604 30 20 BHED C=CC[C@H]1CCCCC1=NNc1ncccc1F 853344784 SMHQSGVHGIQZNP-NSHDSACASA-N 247.317 3.755 30 20 BHED Fc1cccc(NN=C2CCc3ccccc32)c1 920384294 QSLZOVHAGXNDOH-UHFFFAOYSA-N 240.281 3.588 30 20 BHED CC1(C)CC[C@H]1NCCCCC1(C#N)CCC1 930631181 NCTPPMPQRNWECL-CYBMUJFWSA-N 234.387 3.629 30 20 BHED CC(C)CN(C/C=C\Cl)c1ccc(C#N)cc1 1191844630 BUXZJLCVQNKTAH-BAQGIRSFSA-N 248.757 3.773 30 20 BHED CC[C@@H](C)CN(C)CCC1(C#N)CCCCC1 1473167495 JQRHWEONMQZPSO-CQSZACIVSA-N 236.403 3.828 30 20 BHED C[C@@H](NCCCCC#N)c1ccc(Cl)cc1 42224810 APUHTFZVRYKNTH-LLVKDONJSA-N 236.746 3.684 30 20 BHED CCN(CCC#N)Cc1ccc(C(C)(C)C)cc1 42454544 JYADAOLDLYYXFW-UHFFFAOYSA-N 244.382 3.720 30 20 BHED C=C(C)CN(CC)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 55293978 QXZFEJIGWREXRA-KBPBESRZSA-N 249.398 3.649 30 20 BHED CC(C)(C#N)CCCN1CC[C@H]2CCCC[C@@H]2C1 87608506 ZHMRQJWLXXHTSM-HUUCEWRRSA-N 248.414 3.828 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cc(C)ccc1C 125234349 UQPRNZBNELJDMF-UONOGXRCSA-N 217.356 3.919 30 20 BHED C=C[C@@H](C)N[C@H](CCC)c1cccc([N+](=O)[O-])c1 132680292 DYPGQRKGEDSDIA-BXUZGUMPSA-N 248.326 3.600 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1nccs1 133094091 CWFULXSSIRIUFT-QWRGUYRKSA-N 224.373 3.539 30 20 BHED CC[C@H](C)N(C)Cc1ccccc1C(C)(C)C#N 135180028 FOGKHIJTNNXILS-ZDUSSCGKSA-N 244.382 3.718 30 20 BHED C=C[C@@H](C)N[C@H]1CCSc2c(F)cccc21 157269333 IEBVORQFNJZKOF-SKDRFNHKSA-N 237.343 3.527 30 20 BHED CCCCCCCN1CCC[C@H](c2ccn[nH]2)C1 157609596 UMFFZXBKNMQCRX-AWEZNQCLSA-N 249.402 3.560 30 20 BHED C=C(C)CN[C@H](CC)c1ccc(F)cc1F 179638519 USSGSOWNEJYUCS-CYBMUJFWSA-N 225.282 3.582 30 20 BHED N#C[C@H]1CCC[C@H](Nc2ccc3c(c2)CCC3)C1 185789747 ABAARPGBKLMTBQ-WFASDCNBSA-N 240.350 3.670 30 20 BHED CN(CCCCC(C)(C)C#N)Cc1ccccc1 234272609 HKHPYJZQOINLEE-UHFFFAOYSA-N 244.382 3.838 30 20 BHED CC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H](C#N)C2)C1 248885621 SAYOZWZYYFSZCW-APIJFGDWSA-N 234.387 3.627 30 20 BHED C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](CC#N)C1 259819554 WHUAWZRDVRJWMC-STQMWFEESA-N 246.329 3.512 30 20 BHED CCCCc1nc(CON=C2CCC2)cs1 265467826 OORLDXZPVDRBDT-UHFFFAOYSA-N 238.356 3.542 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(F)c(F)c1 309577207 PIHOZOLNWNAXDQ-SNVBAGLBSA-N 225.282 3.582 30 20 BHED C=C(C)CSCc1nc(C2CC2)cs1 342556929 LNIUIPUSCHAPJW-UHFFFAOYSA-N 225.382 3.830 30 20 BHED CC[C@H](C)CCC(=O)Nc1ccccc1CC#N 344339472 UCBHOCKLXLDWCL-LBPRGKRZSA-N 244.338 3.517 30 20 BHED C=CCN(Cc1ccc2occc2c1)C1CC1 348263770 VGVGHXQHHJTCGJ-UHFFFAOYSA-N 227.307 3.583 30 20 BHED C=CCC[C@H](CCC)NC/C=C/C1CC1 378853363 HTLXXXLKGULUMZ-OWNNVSBGSA-N 207.361 3.677 30 20 BHED C[C@@H]1C[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 424321681 HPZUUUOPYYBURE-OQMKEHIESA-N 240.350 3.517 30 20 BHED C=CCN(CCC#N)Cc1ccc(C(C)C)cc1 428850673 OHGDHDVOGPTZNP-UHFFFAOYSA-N 242.366 3.712 30 20 BHED C=C(C)CN(Cc1ccccc1)C[C@H](F)CC 440513984 KZPHXLNFFKPIPS-OAHLLOKOSA-N 235.346 3.813 30 20 BHED CC[C@H](F)CSCc1ccccc1C#N 442555000 VNQLEUUXPISEPF-LBPRGKRZSA-N 223.316 3.540 30 20 BHED C=CCCCc1nc(C2(CC)CCCC2)no1 445804096 XDRKKSUJRWXYJY-UHFFFAOYSA-N 234.343 3.800 30 20 BHED CC(C)=CCSc1ccc(C#N)cc1[N+](=O)[O-] 447689021 JARZHJKKYZDTKR-UHFFFAOYSA-N 248.307 3.525 30 20 BHED C=C(C)CCNC(=O)[C@@H](C)CCC(C)(C)C 452716435 HVVIMIONFSVFAX-LBPRGKRZSA-N 225.376 3.531 30 20 BHED C=CCN(CC=C)Cc1ccc([C@H]2C[C@H]2C)o1 505847713 FDMWIOKVHIHRFI-OCCSQVGLSA-N 231.339 3.577 30 20 BHED C=C(C)CCN(CC)CCc1cccs1 509314644 OJNXJVJRLFURSE-UHFFFAOYSA-N 223.385 3.579 30 20 BHED C=CCCCc1nc(-c2ccc(F)cc2C)no1 547202572 XTEYZQPBHKNFLF-UHFFFAOYSA-N 246.285 3.693 30 20 BHED C=CCC(C)(C)C(=O)N[C@H](C)CCC(C)(C)C 551311171 SMDYYNJVXWJOFZ-GFCCVEGCSA-N 239.403 3.920 30 20 BHED C=CC[C@H](C)[C@@H](C)NCCCC(C)(C)COC 558257590 MRJCBRTYJIIOGT-UONOGXRCSA-N 241.419 3.630 30 20 BHED C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1Cl 576805671 BXPFCRJRTNJABF-WOPDTQHZSA-N 248.757 3.683 30 20 BHED CCCC[C@H](CCC)NC[C@@H](C)CCC#N 602564728 CHCLXOXMHUXFBQ-KBPBESRZSA-N 224.392 3.875 30 20 BHED C[C@@]1(C#N)CCCN(CCC2CCCCC2)C1 612167651 SPRCOHZGGKRZAU-HNNXBMFYSA-N 234.387 3.582 30 20 BHED C=CCCCCCN(C)Cc1cnc(C2CC2)o1 628179338 WQNRMQHEWGFPJE-UHFFFAOYSA-N 248.370 3.730 30 20 BHED C=C(C)CN1CCC[C@H]1c1ccc(C)cc1 641980033 WMSPCYGKAMVJAR-HNNXBMFYSA-N 215.340 3.708 30 20 BHED C=CC[C@H]1CCCC[C@H]1NCCCCCOC 657860159 CFHLBSGQUULVCP-LSDHHAIUSA-N 239.403 3.528 30 20 BHED C=C[C@@H](CC(=O)N[C@H](C)CCC)c1ccccc1 677508333 JZDDTKPIOKWSPG-KGLIPLIRSA-N 245.366 3.651 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)C[C@H]1CCOC1 678698656 ZBKIPRXRFLKKSL-SOUVJXGZSA-N 239.403 3.526 30 20 BHED C=CC[C@@H](C)NC(=S)Nc1ccccc1CC 734985516 GFUSCMIIESNTKU-LLVKDONJSA-N 248.395 3.500 30 20 BHED CCCCCCCC(=O)N1C[C@@H](C)C[C@@H]1CC 744765602 JJQXONXVDNDPGL-KBPBESRZSA-N 239.403 3.994 30 20 BHED Cc1cc(F)ccc1NN=CC(C)(C)C 755801147 ILNNLIRIRXGNMW-UHFFFAOYSA-N 208.280 3.578 30 20 BHED CCCCCCCC[C@H](C)CC(=O)N1CCC1 775129601 GOMDNWFNEPHJQU-AWEZNQCLSA-N 239.403 3.996 30 20 BHED C=CC[C@@H]1N(C[C@H]2CCC=CO2)CCCC1(C)C 775179155 LJMKTPAGYINBNJ-CABCVRRESA-N 249.398 3.746 30 20 BHED C=CCC1(C(=O)NC[C@@H](C)C(C)(C)C)CCC1 790646491 VAYOMWGOUHVCDZ-GFCCVEGCSA-N 237.387 3.531 30 20 BHED C=CCC1(C(=O)OCc2ccc(F)cc2)CCC1 791561568 YYTWMBFVTNVTHN-UHFFFAOYSA-N 248.297 3.615 30 20 BHED C=C(C)COC(=O)[C@@H](c1ccccc1)[C@H](C)CC 794004173 NAQXSDRXVNFKFD-UKRRQHHQSA-N 246.350 3.936 30 20 BHED Fc1cc(NN=CCC2CCCCC2)ccn1 814902131 FUZHLLOUFBWIKA-UHFFFAOYSA-N 235.306 3.589 30 20 BHED C1CC(ON=C2CCCC23CCCC3)C1 814936204 DNFXZZRVTXXKLH-UHFFFAOYSA-N 207.317 3.656 30 20 BHED CC#CCCSCC[C@@H]1CC1(Cl)Cl 818156500 IQEMQAHBVDKRKC-SECBINFHSA-N 237.195 3.717 30 20 BHED C=CCON=C(C)Cc1ccccc1SC 835013870 ZPSKTFLQPVSJAD-UHFFFAOYSA-N 235.352 3.530 30 20 BHED Clc1ccc(CON=CC2CC2)cc1Cl 853734676 HMGVNZOUHBANLC-UHFFFAOYSA-N 244.121 3.906 30 20 BHED C=CC(C)(C)CC(=O)N1CC[C@@H](C)C2(CCC2)C1 879375571 NPTRVRYDZQLDJB-CYBMUJFWSA-N 249.398 3.627 30 20 BHED C=C1CC(c2noc([C@@H]3C[C@H]3CC(C)C)n2)C1 896876094 BNVZNIZBKOGSST-ZYHUDNBSSA-N 232.327 3.653 30 20 BHED CC(C)c1ccccc1CN1CCC[C@@H](C#N)C1 1231877521 ILPOICXPFVSDAB-AWEZNQCLSA-N 242.366 3.546 30 20 BHED CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 1254637630 SJFNTXFMHPPIAK-CQDKDKBSSA-N 246.329 3.559 30 20 BHED CCOc1ccc(SCC2(CC#N)CC2)cc1 1327205005 CVLDRGIKUQUSBB-UHFFFAOYSA-N 247.363 3.871 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)C1CCCCC1 1339280434 JQEDTNUQMAAXHH-CQSZACIVSA-N 235.371 3.524 30 20 BHED C#Cc1cccc(N[C@H]2CCC[C@H](C)C2)c1 19876832 ZEHKQEHUUCYVSR-JSGCOSHPSA-N 213.324 3.659 30 20 BHED C[C@H](CNc1cccc(C#N)c1)c1ccccc1 21810091 DPJKIWYPQXPQRA-CYBMUJFWSA-N 236.318 3.774 30 20 BHED C[C@H](N[C@@H](C)C1CCCC1)c1ccc(C#N)cc1 54079160 CZFPOHVXAPCZOK-STQMWFEESA-N 242.366 3.788 30 20 BHED Cc1cc(C#N)ccc1OCc1ccccc1F 69051222 DYJLOUDFRFBYCN-UHFFFAOYSA-N 241.265 3.585 30 20 BHED Cc1cccc(NCCC(C)(C)C#N)c1C 83637941 LOXGYTVYIGYFMX-UHFFFAOYSA-N 216.328 3.655 30 20 BHED C=CCNc1ccccc1SC[C@@H](C)C#N 89105066 IZEFATHIKRIWSF-NSHDSACASA-N 232.352 3.536 30 20 BHED C=CCSc1ccnc2ccccc12 109199447 ZBPHVOJKCRWBKK-UHFFFAOYSA-N 201.294 3.513 30 20 BHED CC[C@H](NCC(C)(C)C#N)c1ccc(C)cc1 122301191 SRCKPKUQDDDBRK-AWEZNQCLSA-N 230.355 3.586 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C 133393652 LROGRJQJZFDGOA-GZBFAFLISA-N 249.398 3.696 30 20 BHED CC(C)c1ccccc1OC[C@@H](C#N)CCC#N 153095064 ZEPMJCKGSUTZBZ-CYBMUJFWSA-N 242.322 3.632 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1cccc(O)c1 181548589 ZQQIMQUEYGGUTR-CHWSQXEVSA-N 233.355 3.788 30 20 BHED C=CC[C@H](CC)NC(=O)Nc1cscc1C 281297032 CVINWVBBWLKKGT-JTQLQIEISA-N 238.356 3.533 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)C1CCCC1 308821714 CGWFROIDOYXHFP-STQMWFEESA-N 209.377 3.900 30 20 BHED C=C(C)CN[C@H](C)c1c(C)cccc1C 308982201 INNOTEYTJJZHJU-CYBMUJFWSA-N 203.329 3.530 30 20 BHED C[C@@H](C1CCCCC1)N(C)CCCCC#N 338364204 BVGZZVAGLWNCNS-ZDUSSCGKSA-N 222.376 3.581 30 20 BHED C=CCC[C@H](CCC)N[C@H](C)C(F)(F)F 390002570 UOXIAMWNWQOVCF-ZJUUUORDSA-N 223.282 3.662 30 20 BHED CCCCCCCCN1CCC[C@@H](CC#N)C1 397655035 JQUUITJARPLDFO-HNNXBMFYSA-N 236.403 3.973 30 20 BHED CCC[C@H](NCC(C)(C)CC#N)C(C)(C)C 414174082 XTHBUHKPRFEDFA-LBPRGKRZSA-N 224.392 3.731 30 20 BHED CC(C)(C#N)CCCN1CC[C@@H](C2CCCC2)C1 420959776 FKZXADZCLTUAIY-OAHLLOKOSA-N 248.414 3.828 30 20 BHED C=C(C)CN1CC[C@H](c2ccccc2)C[C@@H]1C 439318611 PKJKZVKRFUYBMZ-HOCLYGCPSA-N 229.367 3.831 30 20 BHED CC#CCCN(Cc1ccc(C)s1)C(C)C 462324972 MAPVLGVMAGQYBE-UHFFFAOYSA-N 235.396 3.680 30 20 BHED C=CCCCCNCc1ccc2occc2c1 511929143 XSCLTSUQAUTCSF-UHFFFAOYSA-N 229.323 3.879 30 20 BHED C=CCN(C)[C@H](C)c1ccc(C(C)C)cc1 548298664 HICORMOEDCZAEG-CYBMUJFWSA-N 217.356 3.989 30 20 BHED CC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)C1CC1 595079020 CCBHURJSQXJOHJ-BMIGLBTASA-N 246.329 3.537 30 20 BHED CC[C@H](c1ccccc1)N1CCC[C@@H](CC#N)C1 595613319 AWZUPUGWBAOCDF-GOEBONIOSA-N 242.366 3.763 30 20 BHED C=CCCN[C@H]1CCC[C@@H](c2ncccc2C)C1 658113916 JOFHWMDKEWPBNY-CABCVRRESA-N 244.382 3.582 30 20 BHED CCCCCCCOC(=O)/C=C\c1cccnc1 759254393 GUORCWNRQFBDGF-KTKRTIGZSA-N 247.338 3.608 30 20 BHED C#CC[C@H](N[C@H](C)[C@@H](C)CC=C)c1ccccc1 773114661 JLADBSOLCFRBKQ-UXLLHSPISA-N 241.378 3.941 30 20 BHED C#CCCCCCC(=O)NCCC1=CCCCC1 779715177 HYMYTIBEJQZAAB-UHFFFAOYSA-N 247.382 3.577 30 20 BHED Cc1cccnc1NN=C1CCCCCC1 790193840 PALMPZAZBYXMIZ-UHFFFAOYSA-N 217.316 3.512 30 20 BHED C=CCN(Cc1ccc2occc2c1)C(C)C 809547167 MBZPUXSKVIUSCM-UHFFFAOYSA-N 229.323 3.829 30 20 BHED C#Cc1ccc(CNc2cc(C)ccc2F)cc1 809597737 WMNRBAXEWZZOEP-UHFFFAOYSA-N 239.293 3.728 30 20 BHED C[C@@H]1CCC(=NOCCC2CC2)[C@H](C)C1 814246904 HSKJGKSAYDBECW-GHMZBOCLSA-N 209.333 3.615 30 20 BHED C=CC[C@@H]1CCCC[C@H]1OC(=O)CC(C)(C)C#N 851144591 SDZFPINXDQBAGX-CHWSQXEVSA-N 249.354 3.604 30 20 BHED CCC[C@@H]1CCCC[C@H]1OC(=O)CCCC#N 851453490 RNSLHCUVSAJKAQ-CHWSQXEVSA-N 237.343 3.582 30 20 BHED C=CCCCCCCCN[C@@H](C)c1ncco1 926441608 CUSFKLUUZBSXDP-ZDUSSCGKSA-N 236.359 3.852 30 20 BHED C[C@H](C#N)N(CCC1CCCCCC1)C1CC1 1171821164 XAMMKPPPROCTKG-CYBMUJFWSA-N 234.387 3.723 30 20 BHED C=CCC[C@@H](NCc1sccc1C)C1CC1 125300867 NSWRMEZVGGOMLT-CYBMUJFWSA-N 235.396 3.891 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cc2ccccc2o1 157295350 CUBDUVVRNDYURB-QWRGUYRKSA-N 215.296 3.658 30 20 BHED C=CC[C@H](C)N[C@@H]1CCC(C)(C)C[C@@H]1C 161643469 UBGOEOICTKZLLC-RWMBFGLXSA-N 209.377 3.755 30 20 BHED CC(C)[C@@H](C)SCc1ccc(F)c(C#N)c1 229754354 NIAYQCLKAUJJBF-SNVBAGLBSA-N 237.343 3.975 30 20 BHED C=CCCCCN[C@H](C)c1ccc(Cl)cn1 274805999 WRMBKQOEMKKZPC-LLVKDONJSA-N 238.762 3.742 30 20 BHED C[C@@H](CCC#N)N[C@H](C)c1cc2ccccc2o1 276632513 WIRLIPZVOQIEBW-NWDGAFQWSA-N 242.322 3.776 30 20 BHED N#C[C@@H]1CC[C@H](N2CCC[C@@H]2c2cccs2)C1 278591576 LCAKJWRDZFSTOB-FRRDWIJNSA-N 246.379 3.577 30 20 BHED C=CCC[C@@H](CCC)N[C@@H](C)c1cnn(CC)c1 294961793 WQSNUTUEKMIXKS-DZGCQCFKSA-N 249.402 3.689 30 20 BHED CC(C)C[C@@H](C)CN(C)Cc1cccc(C#N)c1 302453178 XQYQBWHWWLDMED-CQSZACIVSA-N 244.382 3.672 30 20 BHED CC[C@@]1(C)CCN(CCCCC(C)(C)C#N)C1 310044580 BWNVMZNLVYAKCP-HNNXBMFYSA-N 236.403 3.828 30 20 BHED Cc1nc(NCC2CCCC2)c(Cl)cc1C#N 310123178 FFKGXFADFNDWDJ-UHFFFAOYSA-N 249.745 3.517 30 20 BHED Cc1nsc(NCC2(CC(C)C)CC2)c1C#N 342551087 PZIIZXIMORQMJW-UHFFFAOYSA-N 249.383 3.561 30 20 BHED CC[C@@H](c1ccccc1)N(CC)CC1(C#N)CC1 347456348 DXAXIBVNYQTMTM-HNNXBMFYSA-N 242.366 3.763 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1cnc(C)s1 378731117 AVNZZPVHDWLCCF-SNVBAGLBSA-N 238.400 3.704 30 20 BHED C=CCCCCN[C@@H](C)c1ccc(C)cc1O 383366605 VKWNHHLZGSHUAT-ZDUSSCGKSA-N 233.355 3.708 30 20 BHED C=CCC(C)(C)c1nc(-c2ccc(C)cc2)no1 426442375 AQGZEVAKEAVGPZ-UHFFFAOYSA-N 242.322 3.899 30 20 BHED C[C@@H]1CCCC[C@@H]1[C@@H](C)NCC(C)(C)CC#N 459738039 XHUKSIRWTWEAEM-MCIONIFRSA-N 236.403 3.731 30 20 BHED CCCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 464820853 GMRBPHHYFZCQBY-JKSUJKDBSA-N 242.366 3.558 30 20 BHED C=CC[C@@H](CC)NC/C=C/c1ccc(F)cc1 466384633 UYFWLYFRAQFPIV-KEDPEKRHSA-N 233.330 3.783 30 20 BHED C=CCOCCCOc1cc(Cl)ccc1C 478780005 LIKRBZHFOBUBTQ-UHFFFAOYSA-N 240.730 3.620 30 20 BHED C=CCOCCCOc1ccc(Cl)cc1C 478793871 GWEQSWMDDYKXOT-UHFFFAOYSA-N 240.730 3.620 30 20 BHED N#Cc1cc(NCCC2=CCCCCC2)ccn1 553486288 DIDODRZIMWCNEM-UHFFFAOYSA-N 241.338 3.646 30 20 BHED C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC1(C)C 567017590 CRIFQMVUVVTGLT-IUODEOHRSA-N 237.387 3.531 30 20 BHED CCCCCCCCN[C@@H]1CCC[C@H]1F 616581024 BQIVEMHHOBUZKD-CHWSQXEVSA-N 215.356 3.827 30 20 BHED C#C[C@@H](C)N(C)Cc1c(Cl)oc2ccccc12 775183621 PWHUITOWHLCMAL-SNVBAGLBSA-N 247.725 3.540 30 20 BHED C#CCCNC1(c2cccc(Cl)c2)CCCC1 775537307 CMJHLDHQFHEOTP-UHFFFAOYSA-N 247.769 3.722 30 20 BHED CCCC=NNc1nc2ccccc2cc1C 776782917 NRUBXZWMQMTZNO-UHFFFAOYSA-N 227.311 3.741 30 20 BHED C=C[C@H]1CCCCN1C(=O)CCCCCC 785857277 DSINYAOPIKPLHL-ZDUSSCGKSA-N 223.360 3.524 30 20 BHED CC[C@H](C)CON=C[C@@H](C)c1ccccc1 793163236 HNZJDOIFQWOUDK-QWHCGFSZSA-N 219.328 3.839 30 20 BHED C[C@@H]1C(=NOC/C=C/Cl)CCC[C@H]1C 811669723 SURKOADWKPLAPM-XIQPMCSNSA-N 215.724 3.568 30 20 BHED CC(=NNc1ccccc1F)c1cccc(F)c1 812458758 KFZCUYGJIZTHPK-UHFFFAOYSA-N 246.260 3.801 30 20 BHED Clc1ccc(NN=C2CC[C@H]2C2CC2)cc1 814683683 LQFCMALBVXEKSO-LBPRGKRZSA-N 234.730 3.928 30 20 BHED C#C[C@@H](OC(=O)CCCC=C)c1ccc(C)cc1 860964352 NWVPVESYOTXRON-OAHLLOKOSA-N 242.318 3.569 30 20 BHED C=C1CCC(C(=O)N2CC[C@@H](C(C)(C)C)C2)CC1 889929241 QYAVARXPHCDEKC-CQSZACIVSA-N 249.398 3.627 30 20 BHED CCc1ccc([C@H](C)NCC2(C#N)CCC2)s1 903031506 KXFRACJKAHZAQH-NSHDSACASA-N 248.395 3.655 30 20 BHED C=C(Cl)CSCCc1ccc(OC)cc1 913396107 JWFYZMNPAIQLBD-UHFFFAOYSA-N 242.771 3.723 30 20 BHED C=C(CC)CNc1ccc(C)c(OC(F)F)c1 1116466880 LOJQUYDGVCXZHK-UHFFFAOYSA-N 241.281 3.975 30 20 BHED C=C(CC)C(=O)N(Cc1ccccc1F)C(C)C 1346374015 DHJYJKOAIHUBDQ-UHFFFAOYSA-N 249.329 3.529 30 20 BHED CC(C)C[C@H](C)Nc1ccc(C#N)cc1F 37412626 RACFEYOZLGPBLG-JTQLQIEISA-N 220.291 3.544 30 20 BHED C=C(C)CN(C)[C@H](C)c1ccc(C)cc1 47959638 BKPQSPKALBRREN-CYBMUJFWSA-N 203.329 3.564 30 20 BHED N#CCCCN1CCC[C@@H]1CC1CCCCC1 57871706 PELRMHYWNHCXTI-OAHLLOKOSA-N 234.387 3.725 30 20 BHED Cc1cccc(C)c1CN(CCC#N)CC(C)C 96832899 UVUAARJGWPTIQR-UHFFFAOYSA-N 244.382 3.675 30 20 BHED C=C[C@@H](C)N[C@@H](CC)c1cc(F)ccc1F 122960686 KEJSJTMWAHQSCX-RNCFNFMXSA-N 225.282 3.580 30 20 BHED C=CC[C@@H](C)N[C@H](CC)c1ccc(F)cc1 125235930 IPURWKLBOKPRRB-BXUZGUMPSA-N 221.319 3.831 30 20 BHED C=C[C@@H](C)NCc1cc(Cl)cc(Cl)c1 130438551 NFKZHSKTMXLYJA-MRVPVSSYSA-N 230.138 3.658 30 20 BHED C=CCC[C@H](C)NCC(C)(C)c1ccccc1 130548941 PTGYYDSGEJYKPX-AWEZNQCLSA-N 231.383 3.909 30 20 BHED CC(C)(C#N)CCN(CC1CC1)c1ccccc1 131927220 VVZPJTKBBDVUEZ-UHFFFAOYSA-N 242.366 3.843 30 20 BHED C=CCCCC[C@@H](C)NCc1cccs1 131928842 ZKJOYQFPFIMRFF-GFCCVEGCSA-N 223.385 3.973 30 20 BHED C[C@@H]1Sc2ccccc2N(CCCC#N)[C@H]1C 161221977 RYTDGELVVZDNOE-RYUDHWBXSA-N 246.379 3.679 30 20 BHED Cc1cccc(F)c1NCCCC(C)(C)C#N 164806785 VDYZMXZAMUFQHJ-UHFFFAOYSA-N 234.318 3.876 30 20 BHED C=CC[C@H](C)NCC1(CCOC)CCCCC1 189215050 FMPLICXJYHPQKQ-AWEZNQCLSA-N 239.403 3.528 30 20 BHED C#CCCCC(=O)N(CCC)CC1CCCCC1 191959629 QOUGZWBIDLYSCK-UHFFFAOYSA-N 249.398 3.609 30 20 BHED CC(C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H](C#N)C2)C1 192819756 YBZKOKLGILDRLB-JJXSEGSLSA-N 248.414 3.873 30 20 BHED CCCN(Cc1ccc(C#N)cc1)C[C@H](C)CC 215665075 GBGRIWJFKZYKAW-CQSZACIVSA-N 244.382 3.816 30 20 BHED C=CCSCCNCc1cc(C)c(C)cc1C 222063770 COELZFIUFACTLE-UHFFFAOYSA-N 249.423 3.621 30 20 BHED C#CC[C@@H](N[C@H](C)c1ccco1)c1ccccc1 271567469 VDFUGRWFKYRREZ-UKRRQHHQSA-N 239.318 3.695 30 20 BHED Cc1cccc(NCC2(CC#N)CC2)c1Cl 300856014 ICSCWCSWLHECAO-UHFFFAOYSA-N 234.730 3.754 30 20 BHED C=CCCC[C@H](C)Nc1ccc(F)cc1C#N 301985246 CIJZJAIKQVGLAJ-NSHDSACASA-N 232.302 3.854 30 20 BHED C[C@@H](NCCCC#N)c1ccccc1C(C)(C)C 346806137 JKRDRBRFSMHSEQ-CYBMUJFWSA-N 244.382 3.938 30 20 BHED C=CCCSc1ccc2c(c1)OCCCO2 351556799 HJUHEGUPJPQYGD-UHFFFAOYSA-N 236.336 3.516 30 20 BHED C=CCCC1(C(=O)N[C@H]2CC23CCCCC3)CC1 356630908 LUPQVZGLUPXKEN-ZDUSSCGKSA-N 247.382 3.572 30 20 BHED C[C@H]1CC[C@@H]1Nc1cccc(OCCCC#N)c1 380784679 YCPUZYINNDKILE-WFASDCNBSA-N 244.338 3.580 30 20 BHED C=CC[C@H](C)N[C@@H](C)[C@@H]1C[C@H]1c1cccs1 417309687 JTMPVOHKNFVCNB-ZDEQEGDKSA-N 235.396 3.794 30 20 BHED CC[C@@H](NCc1cc(C#N)cs1)[C@H]1CC1(C)C 418109249 TVSKGERMWWLDJY-CHWSQXEVSA-N 248.395 3.534 30 20 BHED C=CCN(Cc1ccc(Cl)cc1C)C1CC1 468482740 GCKJICZBMOYUJN-UHFFFAOYSA-N 235.758 3.799 30 20 BHED C=CCN(CCCCc1ccccc1)C1CC1 480880817 NEPRUDXANOXWDX-UHFFFAOYSA-N 229.367 3.660 30 20 BHED C=CCCCN(C)CCCc1ccccc1 523011329 MJSUWDXYLKHNSK-UHFFFAOYSA-N 217.356 3.517 30 20 BHED C=CCOCCN(C)[C@@H](c1ccccc1)C(C)C 549844365 PTVMOWRWNNKXTD-MRXNPFEDSA-N 247.382 3.518 30 20 BHED C=CCCOc1cc(C)nc2ccc(OC)cc12 555428006 AHAQMCYEZVWMKM-UHFFFAOYSA-N 243.306 3.507 30 20 BHED C=C(C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C 569438501 STSWAUNJOIUXCQ-GFCCVEGCSA-N 248.326 3.520 30 20 BHED C=CCCN(C)Cc1ccc(C)c(Cl)c1 683715804 XYURJYAWIFCPQB-UHFFFAOYSA-N 223.747 3.656 30 20 BHED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1ccccc1 695790213 HYAFUZUSXCMFTP-QWHCGFSZSA-N 230.355 3.666 30 20 BHED Cc1ccc(N[C@@H](C)CC(C)(C)C#N)cc1 695791816 PNLIYYHNRJDQGB-LBPRGKRZSA-N 216.328 3.735 30 20 BHED CC[C@@H]1CCCC1=NNc1ccc(C)cc1 758357589 AEZGTTPOVMMVFH-GFCCVEGCSA-N 216.328 3.973 30 20 BHED C#CCCCCC(=O)N1CCCC[C@H]1[C@H](C)CC 773402537 SDVBTCIXMHNAOF-CABCVRRESA-N 249.398 3.607 30 20 BHED C=CCC[C@@H](NC[C@@H]1CCC=CO1)c1ccco1 796947080 HRKJAIIEZNNHFM-UONOGXRCSA-N 247.338 3.569 30 20 BHED CCCC[C@H](C)C(C)=NNc1cccc(OC)n1 807981628 QANYMAQMSXUHOH-NSHDSACASA-N 249.358 3.704 30 20 BHED C[C@@H]1CC(C)(C)CC1=NOCCC1CC1 814245177 UJNOUKIRRNTSSJ-SNVBAGLBSA-N 209.333 3.615 30 20 BHED C=C(C)CCOC(=O)c1ccc(C(C)C)nc1C 815349102 UGTUOLVQRBEBLD-UHFFFAOYSA-N 247.338 3.636 30 20 BHED C=C(C)CON=C[C@@H]1C(C)=CCC[C@@H]1C 844617810 CVMMKIPNEVQRRJ-QWHCGFSZSA-N 207.317 3.557 30 20 BHED C=CCCC(CC)=NNc1cccc(C)n1 863159941 KZWXOGQDFSWYOP-UHFFFAOYSA-N 217.316 3.534 30 20 BHED C=CC(C)(C)CC(=O)N1CCC(C)(CC)CC1 878596600 YDAPPSOWLVWEJW-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C[C@@H](c1cccc(C#N)c1)N1CC(C)(C)C1(C)C 1255539336 NOMAYFOOQIULIL-LBPRGKRZSA-N 242.366 3.740 30 20 BHED C=C[C@](C)(CC)c1nnc(Cc2cccs2)o1 1327848276 SYTOHVMMTNMYDU-CYBMUJFWSA-N 248.351 3.576 30 20 BHED N#Cc1cccc(OCC2CCCCC2)c1 19805283 LMNLRDHVIJSPNJ-UHFFFAOYSA-N 215.296 3.517 30 20 BHED C=CCCCNc1cc(Cl)ccc1OC 70591342 CPHOACZGTYFQJL-UHFFFAOYSA-N 225.719 3.727 30 20 BHED C[C@@H]1CCC[C@@H](C)N(CC(C)(C)CCC#N)C1 93509363 FBVAXQOZEBAHRK-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED C=CCOc1ccc(CN[C@@H]2CC[C@H](C)C2)cc1 131185191 HWXPACKKPOVXEE-DZGCQCFKSA-N 245.366 3.530 30 20 BHED C=CC[C@@H](C)[C@@H](C)Nc1cccc(C#N)c1 134798063 QFSXSUHPXHNASE-VXGBXAGGSA-N 214.312 3.571 30 20 BHED C#CCCCCNC(=O)CCCC1CCCCC1 155944211 KXMVWXHCTJCBRN-UHFFFAOYSA-N 249.398 3.657 30 20 BHED C=CCN(CCC(C)(C)C#N)Cc1ccccc1 157620181 NVTNGKISYNDRMQ-UHFFFAOYSA-N 242.366 3.614 30 20 BHED C=C(C)CCOc1ccc2c(c1)CCCC2=O 160147137 PWYNCILUWXQKEP-UHFFFAOYSA-N 230.307 3.551 30 20 BHED C=CC[C@@H](C)N[C@H](C)CCc1ccc(OC)cc1 163321756 BPFIWWHFWGDWRS-ZIAGYGMSSA-N 247.382 3.571 30 20 BHED N#C[C@H](Sc1ccccc1O)C1CCCCC1 177271096 HKOQTFHWHJCFII-AWEZNQCLSA-N 247.363 3.957 30 20 BHED C=CCCCCCN1CCC[C@@H]1c1ccncc1 193454468 NYUIEBKXQAIHEZ-MRXNPFEDSA-N 244.382 3.965 30 20 BHED C=CC[C@H](C)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 252733503 ZSKCSRMFQPISNU-GBJTYRQASA-N 221.388 3.900 30 20 BHED Cc1cccc2c1[C@@H](C)/C(=C\c1cccnc1)C2=O 255562646 SHKOTDNJZFFWOW-DGGAMASNSA-N 249.313 3.773 30 20 BHED C[C@H](c1ccc(F)cc1)N(C)CCCCC#N 299562719 VXJHBSWEDNLDNP-GFCCVEGCSA-N 234.318 3.512 30 20 BHED C[C@@H](CCC1CC1)Nc1ccc(F)cc1C#N 302207265 AFSRTQBWDNUIAI-JTQLQIEISA-N 232.302 3.688 30 20 BHED C=C(Cl)CN[C@@H](c1ccc(C)o1)C1CCC1 309688988 IMJXWMLZQQDUCM-CYBMUJFWSA-N 239.746 3.771 30 20 BHED C=CCN(CC=C)Cc1ccc(C(C)C)nc1C 338906586 WNCJKZPUZOGDKW-UHFFFAOYSA-N 244.382 3.687 30 20 BHED C=CC[C@H](C)N[C@H](CC)c1ccc(F)cc1F 358048737 QBXWUDRRGOZYIY-IINYFYTJSA-N 239.309 3.970 30 20 BHED C=CCN(Cc1ccc(C(F)F)cc1)C1CC1 359570815 JKSQQRMECJPPNQ-UHFFFAOYSA-N 237.293 3.775 30 20 BHED CC1CCC(CN(CC#N)C2CCCC2)CC1 380066841 POOVDPSGGXUSLC-UHFFFAOYSA-N 234.387 3.581 30 20 BHED CC(C)(C)C[C@H](NCCC#N)c1ccc(F)cc1 411453108 QCOCKXDXIATIRS-AWEZNQCLSA-N 248.345 3.806 30 20 BHED CC(C)(C#N)CCCSCC1(C#N)CCC1 419591688 XVBOWYFTKYLGPS-UHFFFAOYSA-N 236.384 3.743 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[C@@H]1CC 424871055 VYRPPTCNFXHRCF-STQMWFEESA-N 237.387 3.531 30 20 BHED C=CCN(C[C@@H](C)c1ccc(F)cc1)C1CC1 437978002 LKAISXMTYLFDCT-GFCCVEGCSA-N 233.330 3.580 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1CCOC(C)(C)C1 449217066 WSJRHRFZAWWMES-UONOGXRCSA-N 239.403 3.669 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 468010815 BVOFTVDRZGEPJK-IXYNUQLISA-N 249.398 3.674 30 20 BHED C=CCOCCCN[C@H](C)c1c(C)cccc1C 470777078 QJJAPVLJKXSWMF-OAHLLOKOSA-N 247.382 3.547 30 20 BHED C=CCC1(C(=O)NC[C@H]2CCC[C@H](C)C2)CCC1 479632941 CTOVYOXZFPPCEO-KBPBESRZSA-N 249.398 3.675 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C[C@H]1CCC[C@@H](C)C1 488878896 QTZDCJHSBRKSJT-QLFBSQMISA-N 249.398 3.770 30 20 BHED C=CCC(C)(C)CNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 490010216 AJDLOZSFWFZDMH-MELADBBJSA-N 249.398 3.531 30 20 BHED C=CCC[C@H](CC)N[C@H]1CCO[C@@H](C(C)C)C1 536819623 FQDJDOIBJNCJGF-SOUVJXGZSA-N 239.403 3.524 30 20 BHED CC[C@@H](NCc1ccc(F)cc1C#N)C(C)(C)C 538391436 CBMYKSZHQAXPAU-CQSZACIVSA-N 248.345 3.612 30 20 BHED C=CCN[C@H](c1ccc(F)cc1F)C(C)(C)C 540424732 WNTQSYYMIIPNQB-CYBMUJFWSA-N 239.309 3.828 30 20 BHED CC[C@H](NC1(C2CC2)CC1)c1ccc(C#N)cc1 575746911 UGFNVANGSMBTKH-HNNXBMFYSA-N 240.350 3.542 30 20 BHED CC[C@@H](C#N)Nc1ccc(Cl)cc1SC 594660340 KUULBIUIGPYRLZ-VIFPVBQESA-N 240.759 3.776 30 20 BHED CC[C@@H](CSCC1(C#N)CC1)CC(F)F 596390787 DXFUHVRRWWDOJC-SECBINFHSA-N 233.327 3.705 30 20 BHED CCC[C@@H](NC[C@H](C)CCC#N)C(C)(C)C 602677572 YQNNBOXQAIZGTA-CHWSQXEVSA-N 224.392 3.731 30 20 BHED C=CCSCc1ccc(Cl)cc1[N+](=O)[O-] 609709397 OSHKBEIVYUARLD-UHFFFAOYSA-N 243.715 3.667 30 20 BHED C[C@@H]1CCCC[C@H]1CCNc1cccc(C#N)n1 609893830 MSKZSRRNJKNLJU-OLZOCXBDSA-N 243.354 3.582 30 20 BHED C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCC2(C)C)C1 617780116 OLYGVHFKRORAMZ-KBPBESRZSA-N 249.398 3.627 30 20 BHED C=C(CN[C@H]1CC=C(C)CC1)c1ccccc1 646131119 NQNJXRWJNCYNGQ-INIZCTEOSA-N 227.351 3.788 30 20 BHED c1ccc([C@@H]2CCCC2=NNC2CCCC2)cc1 732532933 WMAKVZIQXTWNKK-HNNXBMFYSA-N 242.366 3.842 30 20 BHED CC(=NNc1ccc(F)cc1)C1CCCC1 733077556 CIDNZXLUIZVVRE-UHFFFAOYSA-N 220.291 3.804 30 20 BHED CC1(C)CCCC1=NNc1c(F)cccc1F 749858494 IYTVYCVKYMKMIK-UHFFFAOYSA-N 238.281 3.943 30 20 BHED FC(F)(F)c1ccc(NN=CC2CC2)cc1 755804246 KORICRQNEUNMTP-UHFFFAOYSA-N 228.217 3.513 30 20 BHED CCCCCCCN[C@H](CCO)c1ccccc1 774859056 ZVRQPKFJYOCLCZ-MRXNPFEDSA-N 249.398 3.670 30 20 BHED COc1cccc(NN=C[C@H]2CC[C@@H](C)C2)c1 800809399 MQWRAVRAGMBYPO-NEPJUHHUSA-N 232.327 3.529 30 20 BHED C#C[C@@H](NC/C(C)=C/c1ccccc1)C(C)(C)C 809780953 BIPPEFUROFHFBU-WCRPCQDQSA-N 241.378 3.727 30 20 BHED c1ccc(CC(=NOCCC2CC2)C2CC2)cc1 814245792 IKBCABNAMPFMRT-UHFFFAOYSA-N 243.350 3.812 30 20 BHED CC1CC(=NNc2ccc(Cl)cc2)C1 814683496 CVSZEVYVZFIIMP-UHFFFAOYSA-N 208.692 3.538 30 20 BHED C=CCCC(CCC)=NOC/C=C\Cl 814934228 PFRQBZQBGKKUHB-HPLIZGGFSA-N 215.724 3.878 30 20 BHED CC(C)(CC#N)CNC1CCCCCCC1 839163518 OCDYEJZEEDBTFQ-UHFFFAOYSA-N 222.376 3.629 30 20 BHED C=C(CC)CSc1nc2cnccc2s1 863361536 LLXMJXUTVRGUPE-UHFFFAOYSA-N 236.365 3.750 30 20 BHED N#CCCCCOC(=O)C1(C2CCCCC2)CC1 923347454 QJKBYSPLSORJOQ-UHFFFAOYSA-N 249.354 3.584 30 20 BHED CC(C)CCN(CCC#N)C[C@H](C)C(C)(C)C 1191367644 RWFXDRPQJIYKTC-AWEZNQCLSA-N 238.419 3.930 30 20 BHED C=CCCCOC(=O)c1cc(C)n(C2CC2)c1C 1318580315 QEDWNYLFCSOXEW-UHFFFAOYSA-N 247.338 3.563 30 20 BHED CCC[C@@H](CC)C(=O)O[C@@H](CC#N)c1ccco1 1518000535 HIQDDXLCQPGMOW-YPMHNXCESA-N 249.310 3.604 30 20 BHED CCCCCCCCOC(=O)c1ccncc1 43356636 GGLVNUJXRYCZHW-UHFFFAOYSA-N 235.327 3.599 30 20 BHED CC[C@H]1CCCN(c2cccc(Cl)c2C#N)C1 47873355 SIFHSDULBMLTMH-NSHDSACASA-N 248.757 3.838 30 20 BHED C=CCN(Cc1cccnc1)CC1CCCCC1 70015774 AFIWFSSIFMLAHB-UHFFFAOYSA-N 244.382 3.650 30 20 BHED CC(C)C[C@@H](C)CC(=O)Nc1ccccc1C#N 76708701 HKKNYXPFCOFEGG-GFCCVEGCSA-N 244.338 3.569 30 20 BHED N#Cc1cccc(NCc2cccc3[nH]ccc23)c1 80332764 LDYFHQVNJXYPGQ-UHFFFAOYSA-N 247.301 3.652 30 20 BHED C=CCCC(=O)NCC(C)(C)CCCCC 120966117 MPKLJABODVBHOW-UHFFFAOYSA-N 225.376 3.675 30 20 BHED C=C[C@H](C)N[C@H](C)c1cccc(OC(F)F)c1 132676546 VNRUGJHIGVUVOU-VHSXEESVSA-N 241.281 3.513 30 20 BHED O=C(/C=C/c1ccccc1)c1ccc(Cl)nc1 147603103 KBMFZBGIXAFOSU-SOFGYWHQSA-N 243.693 3.631 30 20 BHED CCCCCCC[C@@H](C)NCC(C)(C)OC 158960425 JQKXTDDQVQXXHC-CYBMUJFWSA-N 229.408 3.750 30 20 BHED C=CC[C@@H](C(=O)NC(CC)CC)c1ccccc1 186009052 YKNWRSXGOPPNIH-OAHLLOKOSA-N 245.366 3.651 30 20 BHED C#CCCCCN[C@H](CC)c1cccc(F)c1 188232272 PIHUXIDYMOUZQO-OAHLLOKOSA-N 233.330 3.670 30 20 BHED O=C(/C=C/c1sccc1Cl)c1cccnc1 195332584 SUOQOXAYKFLTPO-ONEGZZNKSA-N 249.722 3.693 30 20 BHED C#C[C@H](CC)NCc1c(Cl)oc2ccccc12 229892039 IXBCHJIHCCMULD-SNVBAGLBSA-N 247.725 3.588 30 20 BHED C=CCCN(C)C(=O)C[C@H](C)c1ccccc1C 276352387 HUBKKMUKHXUATN-AWEZNQCLSA-N 245.366 3.523 30 20 BHED C=CCC(C)(C)CN[C@H](C)Cc1cccc(F)c1 311105834 VHJUTXPMZQLPOK-CYBMUJFWSA-N 249.373 3.949 30 20 BHED C=C(C)CCNC1(c2cccc(Cl)c2)CC1 381527238 XHQIIUKSTJYQSS-UHFFFAOYSA-N 235.758 3.885 30 20 BHED CC(C)CN(CCC#N)C[C@@H]1CCC[C@@H](C)C1 383432178 BZVINAYVOUXNHU-HUUCEWRRSA-N 236.403 3.684 30 20 BHED C=CCC[C@@H](C)N[C@@H](CC)CC(F)(F)F 389891133 WAGLOEUUQODUFD-ZJUUUORDSA-N 223.282 3.662 30 20 BHED CSCc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 442865295 HSWPLBJNXONARI-JSGCOSHPSA-N 246.379 3.654 30 20 BHED CC(C)CC[C@@H]1CC[C@H](NCCCCC#N)C1 449131251 LDVACMKKHNATIF-CABCVRRESA-N 236.403 3.875 30 20 BHED C=CCC[C@H](CCC)NCc1cnc(C)cc1C 449732644 CHIVLNRGDSTSQK-INIZCTEOSA-N 246.398 3.923 30 20 BHED C=CCC[C@@H](NCCOC(C)(C)CC)C1CC1 453418297 WCRYAPBKBMHYGX-CQSZACIVSA-N 239.403 3.526 30 20 BHED CCN(CC[C@@H]1CCC[C@@H](C)C1)C[C@@H](C)C#N 464866290 CLRVWHWJBROTKQ-ILXRZTDVSA-N 236.403 3.684 30 20 BHED CCC(CC)CN(CCC#N)C[C@H](C)CC 481116719 WPDHNARSXMQDCG-CYBMUJFWSA-N 224.392 3.684 30 20 BHED C=C(C)CCc1noc(C[C@@H](C)c2ccco2)n1 528194049 XUWJVXCHHSJRDQ-LLVKDONJSA-N 246.310 3.518 30 20 BHED C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCC1(C)C 567017589 CRIFQMVUVVTGLT-DOMZBBRYSA-N 237.387 3.531 30 20 BHED Cc1ccc(C[C@H](C#N)SC2CCC2)cc1 572522818 NFDSYHPCTAUXDP-CQSZACIVSA-N 231.364 3.715 30 20 BHED CC1=CC[C@H](N[C@@H](C)c2cccc(C#N)c2)CC1 585726073 RMCJRZGLDNUCJE-BBRMVZONSA-N 240.350 3.708 30 20 BHED COc1ccc([C@H](C)CSCCCC#N)cc1 596378567 FOHDGVFNYBFAJS-GFCCVEGCSA-N 249.379 3.836 30 20 BHED C=CCCCN1CCSC[C@@H]1c1ccccc1 605150991 QKXSBIFRIYUKFL-OAHLLOKOSA-N 247.407 3.743 30 20 BHED C[C@@]1(C#N)CCCN(CCCC2CCCC2)C1 612163022 NKRVCNXBZLWODP-HNNXBMFYSA-N 234.387 3.582 30 20 BHED C=C(C)CN1CCC[C@@H]1C1CCCCC1 613479734 IUOONBIDTFKKGF-CQSZACIVSA-N 207.361 3.607 30 20 BHED C=CC[C@H]1CCCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 617777580 SBUHDLHPDCHMIE-KKUMJFAQSA-N 249.398 3.627 30 20 BHED C=CCCC[C@H](C)NC(=O)CC(C)(C)CC 678881763 REBGPLWWYSNDHB-LBPRGKRZSA-N 225.376 3.674 30 20 BHED C[C@@H](CC(C)(C)C#N)NC(C1CCC1)C1CCC1 710001651 QPQJVMBRGZWFBG-LBPRGKRZSA-N 248.414 3.873 30 20 BHED c1cncc(CON=C2CCCCCCC2)c1 746588052 JOSBBEUPYCSJME-UHFFFAOYSA-N 232.327 3.699 30 20 BHED COc1ccsc1C=NNc1ccc(C)cc1 764650427 WZQDPJHJAMSYIJ-UHFFFAOYSA-N 246.335 3.511 30 20 BHED CC[C@H](C)C=NNc1c(F)cccc1Cl 769826954 LJAAZWCJBAMVQG-QMMMGPOBSA-N 228.698 3.923 30 20 BHED CC1=CC(=NNc2ccnc(F)c2)CC(C)(C)C1 781133679 GBKYDBQWYNYSKM-UHFFFAOYSA-N 247.317 3.755 30 20 BHED C#CCC1(C(=O)NCCCCCC)CCCCC1 788142267 UZAXBPKUMRMQFO-UHFFFAOYSA-N 249.398 3.657 30 20 BHED CC[C@@H](C)NN=C(C)C1CCC(F)(F)CC1 790189470 NWJGACQNXAMLOH-SECBINFHSA-N 232.318 3.576 30 20 BHED CCCC(=NNCCC(C)(C)C)c1cccnc1 814901578 RTGCCIWUWVPMDD-UHFFFAOYSA-N 247.386 3.612 30 20 BHED CC(CC(C)(C)C#N)=NNc1cccc(F)c1 853293925 WWCFUCZNHUUHHH-UHFFFAOYSA-N 233.290 3.553 30 20 BHED C[C@@H](C=NNc1ccnc(Cl)c1)C(C)(C)C 853394949 FMULXNXPPVUVKL-VIFPVBQESA-N 239.750 3.815 30 20 BHED C[C@@H]1C[C@@H]1C=NNc1ccc(F)c(Cl)c1 863179457 XDANKHYWWVWHAR-HTQZYQBOSA-N 226.682 3.533 30 20 BHED C=CC(C)(C)C(=O)N1Cc2ccccc2[C@@H]1CC 890612921 CSZMZBQBCJYAKF-AWEZNQCLSA-N 243.350 3.692 30 20 BHED C=C/C=C/CCSCCC(C)(C)C#N 902388445 WNMIWSJYQVVOAE-AATRIKPKSA-N 209.358 3.792 30 20 BHED Fc1cccc(C=NNc2ccccc2Cl)c1 916262460 HDFUWWMYYCCSPR-UHFFFAOYSA-N 248.688 3.925 30 20 BHED CCC(=NNc1ccc(C(C)(C)C)nn1)C(C)C 1318626486 RGQIHHWMUJZJNJ-UHFFFAOYSA-N 248.374 3.608 30 20 BHED CC(C)(C)ON=Cc1cccc(C(F)(F)F)c1 1319576748 HAJGGAGXTIJJSE-UHFFFAOYSA-N 245.244 3.854 30 20 BHED C=CCCCCN(C)[C@@H]1CC[C@@H](SC)C1 1324487573 XYJMSZKFGKBLSV-CHWSQXEVSA-N 227.417 3.559 30 20 BHED CCC[C@@]1(C)CCCN(C[C@@H](C)CCC#N)C1 1663893215 MASOZQPYGRZGKX-GJZGRUSLSA-N 236.403 3.828 30 20 BHED O=C(/C=C/c1ccsc1)c1ccc(F)cc1 57437789 GETUXXXEWNXZMB-LZCJLJQNSA-N 232.279 3.783 30 20 BHED C[C@H](N[C@@H](CCC#N)c1ccccc1)C1CCC1 90665757 WTBRHROGAPSVGP-BBRMVZONSA-N 242.366 3.810 30 20 BHED Cc1ccc(F)cc1COc1ccccc1C#N 97849376 VANLNMHFWPNBGT-UHFFFAOYSA-N 241.265 3.585 30 20 BHED Cc1ccccc1/C=C/C(=O)c1occc1C 119044107 TUBYKCVCKNKTDM-BQYQJAHWSA-N 226.275 3.793 30 20 BHED C=C[C@@H](C)N[C@@H](CC)c1ccc(C)cc1 157223727 ZEQSHIWJFZEZOU-OCCSQVGLSA-N 203.329 3.610 30 20 BHED CCCCCCCCCN[C@H]1CCSC1 163622389 YKQXNYYOOOVDLM-ZDUSSCGKSA-N 229.433 3.832 30 20 BHED CC1(C)Cc2occc2[C@H](NCCCCC#N)C1 178643630 NUDQWTGCATVBNX-CYBMUJFWSA-N 246.354 3.577 30 20 BHED C=C(C)CN(C)C(=O)Nc1cccc(C(C)C)c1 181521445 WMHJKXIUNVZGOJ-UHFFFAOYSA-N 246.354 3.850 30 20 BHED CCCCSCc1cc(F)ccc1C#N 229948447 ROTLWQCVZOUMJF-UHFFFAOYSA-N 223.316 3.731 30 20 BHED C[C@H]1CCC[C@@H](CNc2cc(F)cc(C#N)c2)C1 235627949 DBYQGBLKWARKHQ-NWDGAFQWSA-N 246.329 3.936 30 20 BHED N#C[C@@H]1CC[C@H](Sc2ccc(F)cc2F)C1 295690420 IGFYSVNIKFHYPG-SCZZXKLOSA-N 239.290 3.749 30 20 BHED C=CCC[C@H](Nc1cnccn1)c1ccccc1 301801765 WHIYKPIJLGFRFE-AWEZNQCLSA-N 239.322 3.596 30 20 BHED Cc1cc(C#N)cc(N[C@H](C)CC2CCC2)c1 308101843 IAMXIXJMEYYFLQ-GFCCVEGCSA-N 228.339 3.857 30 20 BHED C=C[C@@H](C)NCCCc1c(F)cccc1Cl 309405702 HYFAMAYBPXHVEL-SNVBAGLBSA-N 241.737 3.576 30 20 BHED C[C@H](CC(C)(C)C)Nc1cccc(CC#N)c1 313412020 RDKFZKWJPDFXKY-GFCCVEGCSA-N 230.355 3.989 30 20 BHED CC[C@H](Nc1cc(F)cc(C#N)c1)C1CCC1 325397877 JRZIVIGVIOFLAY-AWEZNQCLSA-N 232.302 3.688 30 20 BHED C=CC[C@@H](CC)N[C@H](C)CCc1ccccc1 393810113 TUHLGBRWBUTDTL-GDBMZVCRSA-N 231.383 3.952 30 20 BHED COCc1ccccc1OCCCC(C)(C)C#N 419097958 QRERGNYINWCUJO-UHFFFAOYSA-N 247.338 3.542 30 20 BHED CC(C)(C#N)CCCN(C1CCC1)C1CCC1 429123697 RMHPTGURGCWXTP-UHFFFAOYSA-N 234.387 3.723 30 20 BHED C=CCC(C)(C)C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 429897075 JZEJIYNBEXYPGH-IHRRRGAJSA-N 249.398 3.531 30 20 BHED C=CC(C)(C)c1nc(-c2cc(C)cc(F)c2)no1 453063670 HBCIQALPYSFTPA-UHFFFAOYSA-N 246.285 3.648 30 20 BHED C=CCC[C@H](CCC)NC[C@](C)(O)[C@@H](C)CC 462109122 CSKSIQCXSLCVKO-KKUMJFAQSA-N 241.419 3.508 30 20 BHED CCCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 464820852 GMRBPHHYFZCQBY-HZPDHXFCSA-N 242.366 3.558 30 20 BHED CC#CCCCC(=O)NCC1(CC)CCCCC1 466317100 JDGWGXNOKOXMGX-UHFFFAOYSA-N 249.398 3.657 30 20 BHED C=CC[C@H](CC)NC(=O)C(C)(C)C1CCCC1 466546184 WAMSXIQUEDRCBD-ZDUSSCGKSA-N 237.387 3.674 30 20 BHED C=C(C)CN(CC)C(=O)[C@@](C)(CC)CCC 474789912 GZVSDESVYYVIFA-AWEZNQCLSA-N 225.376 3.627 30 20 BHED C=C(C)CCN[C@H]1CCC[C@@H]1Cc1ccccc1 510775721 FSIYTKDXGIMZMR-SJORKVTESA-N 243.394 3.954 30 20 BHED C/C(Cl)=C\CN(C)[C@H](C)c1cccc(C#N)c1 528525459 KQSXKYROGLPGEN-YTRUQHMWSA-N 248.757 3.694 30 20 BHED C=C[C@H]1CCCCN1Cc1cnc(C2CC2)s1 568942045 AVUGLYVDUXNTLS-LBPRGKRZSA-N 248.395 3.561 30 20 BHED CCC[C@H](NC[C@H](C)CCC#N)C1CCCC1 602687375 LEXQBBDCLYCDGF-HIFRSBDPSA-N 236.403 3.875 30 20 BHED C=CC[C@@H](C)Nc1nc(C(C)(C)C)ccc1C#N 613426929 UILJPIMCLBEJGQ-LLVKDONJSA-N 243.354 3.627 30 20 BHED C=CCCC(C)(C)NC(=O)c1ccoc1C1CC1 620856868 DANOSOHTONJOCA-UHFFFAOYSA-N 247.338 3.632 30 20 BHED C=CCC[C@H](CC)NC1CC2(CCC2)C1 652051486 HCVJNWAMSYXHEG-LBPRGKRZSA-N 207.361 3.654 30 20 BHED C=CCCCOC(=O)/C=C(\C)c1ccc(F)cc1 735532526 MQAVFZORAJKRGK-VAWYXSNFSA-N 248.297 3.738 30 20 BHED CCC(CC)NN=C/C=C/c1ccc(F)cc1 747750107 HSZXNTYUSODOFC-IQYABZLSSA-N 234.318 3.603 30 20 BHED C#CC[C@@H](NCc1cccs1)c1ccccc1 756996838 SEAPBLBPFOJUBU-OAHLLOKOSA-N 241.359 3.602 30 20 BHED COc1cccc(NN=C(C)CC2CCC2)c1 758374671 UHODGCMFPSMBGZ-UHFFFAOYSA-N 232.327 3.673 30 20 BHED CCCC[C@H](CC)CON=C1CCCOCC1 760556248 ZYWXFRWLNASMFW-ZDUSSCGKSA-N 241.375 3.776 30 20 BHED Cc1ccc(NN=Cc2cc(C)oc2C)cc1 767894111 WTAFWGPGCYYQBC-UHFFFAOYSA-N 228.295 3.651 30 20 BHED Cc1cc(C)cc(/C=C\C(=O)c2cncs2)c1 776434621 YPIASJXMSSNVDE-ARJAWSKDSA-N 243.331 3.656 30 20 BHED CC(C[C@H](C)CC(C)C)=NNc1ccccn1 779759156 HYJHXYZHQCEFJU-GFCCVEGCSA-N 233.359 3.942 30 20 BHED C#C[C@@H](CCC)NC(=O)C[C@H](CC)CCCC 791745561 PHNULPIGHZLLBI-KGLIPLIRSA-N 237.387 3.511 30 20 BHED C#CCCN1CCC(c2cccc(Cl)c2)CC1 796535342 ZHWBDXIOZWYPIT-UHFFFAOYSA-N 247.769 3.543 30 20 BHED FCCC[C@H]1CCCC1=NNCc1ccccc1 800808658 XAKYPASWGDSDBP-CQSZACIVSA-N 248.345 3.682 30 20 BHED Fc1ccccc1NN=C1CCCCCC1 812458707 IONLHRUVENPPRO-UHFFFAOYSA-N 220.291 3.948 30 20 BHED Fc1ccc(/C=C\C=NOCCC2CC2)cc1 814244957 OOYZNSKRIOGMKW-YZRLYCSGSA-N 233.286 3.641 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccc(Cl)nc1 834883717 PGDQCLUCQUHIDM-JTQLQIEISA-N 238.762 3.598 30 20 BHED CC(CCc1cccc(F)c1)=NOC(C)C 835004150 IBTPLUVAKSZLQE-UHFFFAOYSA-N 223.291 3.559 30 20 BHED C=C(Cl)COc1ccccc1OCCC 915660654 FTBAXLQQSNATGW-UHFFFAOYSA-N 226.703 3.607 30 20 BHED Cc1cc(Oc2cccc(Cl)c2)ncc1C#N 1161989164 NDBXSEWABRNBAT-UHFFFAOYSA-N 244.681 3.707 30 20 BHED CC(C)(C)ON=C[C@H]1CCc2ccccc21 1320326267 YKAGXYAZHGRJRY-GFCCVEGCSA-N 217.312 3.517 30 20 BHED C=C(C)CCC(=O)N1CC2(CCCC2)[C@@H]1C(C)C 1337303867 ROCTYKFCQPKNEL-HNNXBMFYSA-N 249.398 3.770 30 20 BHED C=C(C)CCC(=O)NC[C@@H](C)c1ccc(C)cc1 1348717399 HDRKAPNWUCLHEH-CQSZACIVSA-N 245.366 3.571 30 20 BHED COc1cccc([C@H](C)S[C@@H](C#N)C2CC2)c1 1613623569 WMRZHGOTINGCMX-HZMBPMFUSA-N 247.363 3.792 30 20 BHED CCCC[C@H](CC)CN(C1CC1)[C@@H](C)C#N 1654165281 MLOFUGLERUCIBW-STQMWFEESA-N 222.376 3.579 30 20 BHED C[C@@H]1CCC[C@H](N(C)c2ccc(C#N)cc2F)C1 42495272 TZAFOPBXFJKRNX-YPMHNXCESA-N 246.329 3.712 30 20 BHED CC[C@@H](C#N)Nc1ccc(C)c(C(F)(F)F)c1 44270017 LDRRNBBGMNLASK-VIFPVBQESA-N 242.244 3.728 30 20 BHED C[C@@H](Nc1ccc(C#N)cc1)c1ccsc1 50338196 AMXJFLHAGCNXAP-SNVBAGLBSA-N 228.320 3.793 30 20 BHED N#CCCCCN1CCCCC[C@H]1c1ccco1 76804521 SDJXKEFHCJJWTA-AWEZNQCLSA-N 246.354 3.891 30 20 BHED CC[C@@H](C)C[C@@H](C)Nc1ccc(C#N)cc1 83865170 GEQGJXSJCKKFHZ-VXGBXAGGSA-N 216.328 3.795 30 20 BHED CCCCCCCCNC(=O)C(C)(C)C 110430330 SPGLXSSGOSUARI-UHFFFAOYSA-N 213.365 3.509 30 20 BHED C=C(C)CN(CC)C(=O)[C@@H](C)CC1CCCC1 114230292 NFBXDIYXJQWODR-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C=CC[C@@H](C)NCc1ccc(OC(C)C)cc1 116927183 FTXTVQDXZOBHAR-CYBMUJFWSA-N 233.355 3.528 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccccc1OCC 163309141 SCFQQTTXNIMGHA-CHWSQXEVSA-N 233.355 3.701 30 20 BHED O=C(/C=C/c1ccc2c(c1)CCC2)c1ccco1 178994384 QYIJXRCJPHIJEI-VQHVLOKHSA-N 238.286 3.664 30 20 BHED Cc1ccc(C2CC(NCCCCC#N)C2)cc1 180638836 QCDQOXMOIYZIBG-UHFFFAOYSA-N 242.366 3.525 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1cccc(O)c1 181548533 ZQQIMQUEYGGUTR-STQMWFEESA-N 233.355 3.788 30 20 BHED CC(C)CCC[S@@](=O)CCCC(C)(C)C#N 182295999 DGRGFFRODHPCST-MRXNPFEDSA-N 243.416 3.501 30 20 BHED Cc1cccc(OCc2ccccc2C#N)c1F 182963010 OVUUDWOYEGLWPS-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=C(Cl)COc1cc(C)cc(C)c1C 213206655 BDNJFUQIUSLRLP-UHFFFAOYSA-N 210.704 3.743 30 20 BHED C[C@H]1C[C@H](Nc2cc(F)cc(C#N)c2)CC[C@H]1C 227620252 IYPZXBPJCRIPDP-UHIISALHSA-N 246.329 3.934 30 20 BHED C[C@@H]1CC[C@H](CN[C@H](C)c2ccc(C#N)cc2)C1 230407530 KLAFFTSSGREAMS-NFAWXSAZSA-N 242.366 3.645 30 20 BHED C[C@@H]1CN(CC(C)(C)CCC#N)[C@H]2CCCC[C@@H]12 248375544 XCJZUTNGRDUACF-ILXRZTDVSA-N 248.414 3.827 30 20 BHED C=CC[C@@H]1N(Cc2ncc(C)o2)CCCC1(C)C 277643560 CGGZSLUVQKSVBU-ZDUSSCGKSA-N 248.370 3.550 30 20 BHED C#CCCCCN[C@@H](C)CCC=C(C)C 308928131 DOUPVBXIICWTGR-AWEZNQCLSA-N 207.361 3.514 30 20 BHED C=CCCCCC[C@@H](C)NCC(C)(C)OC 309463062 OLCKTMTURFWAAO-CYBMUJFWSA-N 227.392 3.526 30 20 BHED C[C@H](C#N)S[C@H](C)c1ccc(F)cc1 335955286 HFBNDXOAXDDPRI-RKDXNWHRSA-N 209.289 3.532 30 20 BHED C=CCCCN[C@@H](C)c1csc(C)c1 381749694 NGYLEOJJUPACMU-NSHDSACASA-N 209.358 3.673 30 20 BHED C=CCOc1ccc(CN[C@@H]2CCC2(C)C)cc1 385031020 GTCSBWMHBIACKO-OAHLLOKOSA-N 245.366 3.530 30 20 BHED C=C(C)CCN[C@@H]1C[C@@H](C)c2ccccc21 386712634 PVFXCEWNVXUSTB-IUODEOHRSA-N 215.340 3.791 30 20 BHED C=C(C)CCNCc1ccccc1OC(C)C 386780992 MGSCUHMQQZXGRP-UHFFFAOYSA-N 233.355 3.530 30 20 BHED C=C(CC)CN[C@@H](C)c1cccc(F)c1F 390518588 DPSIAFXOWOZQIH-JTQLQIEISA-N 225.282 3.582 30 20 BHED C=CC[C@@H](CC)N[C@H](C)Cc1cccc(F)c1 393774389 DBQOOBGKGOMWMS-IUODEOHRSA-N 235.346 3.701 30 20 BHED C=CCCC[C@H](C)NC(=O)C1=CC[C@@H](C)CC1 455996054 OTCTWJHNPMXLMB-OLZOCXBDSA-N 235.371 3.594 30 20 BHED C=CCOCCCOc1cccc(C)c1Cl 478839501 VDIJCGSRLCBZJX-UHFFFAOYSA-N 240.730 3.620 30 20 BHED C=C(C)CN(CC)C(=O)C[C@H]1CCC[C@@H](C)C1 497475069 WINPNSLBNWEFIJ-KGLIPLIRSA-N 237.387 3.627 30 20 BHED C=CCCC[C@H](C)N[C@@H](CC)C1CCOCC1 537309419 XQYRWYQQENCFHB-ZFWWWQNUSA-N 239.403 3.526 30 20 BHED C[C@@H](CC1CCCCC1)Nc1cc(C#N)ccn1 557675168 IRDXYYPFXUTNNX-LBPRGKRZSA-N 243.354 3.724 30 20 BHED CCC[C@H](CC)SCc1ccc(C#N)cn1 584539930 ITQONRBTJQEKKH-ZDUSSCGKSA-N 234.368 3.765 30 20 BHED N#Cc1ccccc1-c1ccc(F)cc1F 589962172 ZFFWDBYAAMMQMV-UHFFFAOYSA-N 215.202 3.503 30 20 BHED Cc1ccc(-c2ccccc2C2(C#N)CC2)o1 592989010 OHQHKEAEHLBFCO-UHFFFAOYSA-N 223.275 3.810 30 20 BHED CC[C@@H](C)n1ncc(NC[C@H](C)CCC#N)c1C 602629426 GLVHYMOPJWHXAY-VXGBXAGGSA-N 248.374 3.514 30 20 BHED CCC[C@@H]1CCCC[C@@H]1Nc1ncccc1C#N 609120387 HEVCQEZGVKNGBJ-OCCSQVGLSA-N 243.354 3.724 30 20 BHED C=CCC[C@H](CC)NCCCc1ccco1 658328066 UEAWSJDZSLUSED-ZDUSSCGKSA-N 221.344 3.547 30 20 BHED C=C(C)COC(=O)C[C@@H](c1ccccc1)C(C)C 728639710 SVICQYQBZJLMFT-OAHLLOKOSA-N 246.350 3.936 30 20 BHED CC(=NNc1ncccc1Cl)C1CCCC1 733076321 LPDTWHXZKPSKKF-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C=CCCCOC(=O)C[C@H](CC)C(C)C 735532696 IWDNUGKFDQVFOB-LBPRGKRZSA-N 212.333 3.568 30 20 BHED FC(F)(F)CCON=CC1CCCCC1 777459728 LOYCKNTWHGHMBI-UHFFFAOYSA-N 223.238 3.522 30 20 BHED CC(CC1CCCC1)=NNc1ncccc1C 790190908 NKJOFSXBBWRBBA-UHFFFAOYSA-N 231.343 3.758 30 20 BHED CC[C@H](C)CON=C1CCC12CCCC2 793161026 ZILZTHAMQFISKM-NSHDSACASA-N 209.333 3.759 30 20 BHED C=C(C)CCOC(=O)c1ccoc1C(C)C 796735255 GWPHBULJYKYZBV-UHFFFAOYSA-N 222.284 3.526 30 20 BHED CCCCCCCCC(=O)N1CCC=C(C)C1 798089829 WGYIFLFAFONTCH-UHFFFAOYSA-N 237.387 3.916 30 20 BHED C[C@H](C=NNc1ccc(C#N)cc1)C(C)(C)C 800810067 FLIKVCHOTUPYKF-LLVKDONJSA-N 229.327 3.638 30 20 BHED CC(CCCC(C)C)=NOC/C=C/Cl 811668339 DVCVAXVUJGJKRJ-JPWQVFTHSA-N 217.740 3.958 30 20 BHED C[C@H]1CC(=NOCCC2CC2)C[C@H](C)C1 814246113 SVIYUMZSWOBKMO-GHMZBOCLSA-N 209.333 3.615 30 20 BHED CC[C@@H]1CCCC(=NN[C@@H](C)c2ccncc2)C1 819814940 IVAIUGVAHMDIHE-QWHCGFSZSA-N 245.370 3.688 30 20 BHED C=CCC(C)(C)CNC(=S)Nc1ccccc1 840748365 FBFBQZBYOFHKIK-UHFFFAOYSA-N 248.395 3.575 30 20 BHED C#CCCCN(C)[C@H](C)CSc1ccccc1 844360050 MKQDDIYRVWCWNU-CQSZACIVSA-N 247.407 3.512 30 20 BHED C=CCCNC(=S)Nc1ccc(C(C)C)cc1 849277566 CKDJHSAXXAWDPF-UHFFFAOYSA-N 248.395 3.673 30 20 BHED CCC(C#N)(CC)C(=O)O[C@@H]1C=CCCCCC1 860749719 UKFMBGHEJOIQPW-CYBMUJFWSA-N 249.354 3.748 30 20 BHED CCCCCCCNC(=O)CC[C@H](C)SC 862357864 KAHAIRPHZBZHLM-LBPRGKRZSA-N 245.432 3.605 30 20 BHED CCCCCCCCCOC(=O)C(C)(C)C#N 919352673 MGVQFNBOPJWFTN-UHFFFAOYSA-N 239.359 3.830 30 20 BHED CCCC=NNc1ccc(C)c(Cl)c1 1116379074 OMJKOEXVNYGJEB-UHFFFAOYSA-N 210.708 3.846 30 20 BHED CCC(CC)CN1CCCc2cc(C#N)ccc21 1645901286 UOQMIMDSBKXIHJ-UHFFFAOYSA-N 242.366 3.747 30 20 BHED C[C@H](N[C@H](C)CC#N)c1ccc2ccccc2c1 68607678 UBQLWSSVHGSNHF-OLZOCXBDSA-N 238.334 3.793 30 20 BHED C=CCCCN[C@@H](C)c1ccccc1Cl 70591993 JUDARWHYKCKJEG-NSHDSACASA-N 223.747 3.957 30 20 BHED CC[C@H]1CCC[C@H](Nc2nc(C)ccc2C#N)C1 85066007 KJOWAYNUWGCINP-JSGCOSHPSA-N 243.354 3.642 30 20 BHED C#CCCCCNC1CCC(C(F)(F)F)CC1 123572094 UXNSBWQAWKJKNY-UHFFFAOYSA-N 247.304 3.501 30 20 BHED C=CCCN(C)Cc1ccc(C(F)(F)F)cc1 132345504 YYCLWKZJHZUWIL-UHFFFAOYSA-N 243.272 3.713 30 20 BHED C[C@@H](Sc1ccccc1C#N)C(F)(F)F 178159508 WURRHPIMHQYGDS-SSDOTTSWSA-N 231.242 3.601 30 20 BHED Cc1ccc(CC[C@@H](C)NCCCCC#N)cc1 178640499 KXZRUWFPCAVNFU-OAHLLOKOSA-N 244.382 3.600 30 20 BHED C#CCCCCC(=O)Nc1ccc(Cl)cc1C 179662829 JUAWGEIFGSZOSH-UHFFFAOYSA-N 249.741 3.781 30 20 BHED C=CCC[C@H](Nc1cnn(C(C)(C)C)c1)C1CC1 183393214 XDMANUXQRDYTTA-AWEZNQCLSA-N 247.386 3.795 30 20 BHED CC(C)S[C@@H](C)c1cccc(C#N)c1 190793784 VJZCVBVZAXVLPR-JTQLQIEISA-N 205.326 3.761 30 20 BHED C#Cc1cccc(NCc2sccc2Cl)c1 193203303 ZEZBAIJRUDSXSG-UHFFFAOYSA-N 247.750 3.995 30 20 BHED CCCCCCCCSc1nnc(C)o1 220265616 PMDWEZLJHMIXPQ-UHFFFAOYSA-N 228.361 3.831 30 20 BHED CC(C)(C#N)CCCC[S@](=O)c1ccccc1 232526608 BPIKKVICZLFFQX-KRWDZBQOSA-N 249.379 3.514 30 20 BHED C=C[C@H](C)Nc1nc(-c2ccc(F)cc2)cs1 301608264 ONBSHNUSLLOTLD-VIFPVBQESA-N 248.326 3.936 30 20 BHED Cc1cnc([C@@H](C)Sc2ccccc2C#N)o1 335280448 KTQOBCNOATYGIS-SNVBAGLBSA-N 244.319 3.708 30 20 BHED C[C@H]1CC(C)(C)CC[C@@H]1Nc1cc(C#N)ccn1 342792099 SRVGLUFVUSHAAJ-AAEUAGOBSA-N 243.354 3.580 30 20 BHED CC#CCCCC(=O)Nc1ccc2ccoc2c1 343958040 FMLHPCCGFQXQCB-UHFFFAOYSA-N 241.290 3.565 30 20 BHED C=C(C)CCN1CCC[C@@H]1c1ccsc1 351860844 QOLKZFKTLCHKFX-CYBMUJFWSA-N 221.369 3.851 30 20 BHED CC(C)[C@@H]1N(CC(C)(C)CCC#N)CC1(C)C 353745262 ICIKWARDRFNXOX-ZDUSSCGKSA-N 236.403 3.683 30 20 BHED C=CCC(C)(C)CN[C@@H](C)C1CCSCC1 382180031 ZEPSKWOZGATOLW-LBPRGKRZSA-N 241.444 3.710 30 20 BHED C=CCC(C)(C)CNC(=O)C1(CC=C)CCCC1 452137245 CTSZBPPSFJTZNU-UHFFFAOYSA-N 249.398 3.841 30 20 BHED CCC1CCC(CN[C@H]2CCC[C@H](C#N)C2)CC1 463281372 HCKDYGPQBCZDHC-CKUJCDMFSA-N 248.414 3.875 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H]1CCC[C@H](CC)C1 468029655 MECNCSYHMSHSCW-KCQAQPDRSA-N 237.387 3.674 30 20 BHED C=CC[C@H](C)NC(=O)Nc1ccc(/C=C/C)cc1 497365164 IBNXVVWSCVMPIF-PZBABLGHSA-N 244.338 3.806 30 20 BHED C=C(C)CCN(CC(C)C)C1CCCC1 509279934 STIRGNSUWWTTHC-UHFFFAOYSA-N 209.377 3.853 30 20 BHED C=CCCN[C@@H](Cc1ccc(F)cc1)C(C)C 542546934 NXSSMOOHPRGIMV-HNNXBMFYSA-N 235.346 3.559 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)c1cnn(CC)c1 553103999 GZSNKHODCWZSID-KBPBESRZSA-N 249.402 3.689 30 20 BHED Cc1cc(SCCC(C)(C)C#N)ccc1C#N 569222843 PSBCKXJHSVIHKW-UHFFFAOYSA-N 244.363 3.899 30 20 BHED C=CCCCCN(C)C[C@H](C)c1nccs1 572353111 FVUOACNMNPWWKM-LBPRGKRZSA-N 238.400 3.535 30 20 BHED CC[C@H](C)CCN[C@H]1CCc2ccc(C#N)cc21 595071684 CNTMPBKJVJTFMF-LRDDRELGSA-N 242.366 3.571 30 20 BHED C=CCCSCCOCc1ccccc1 596342199 KQBGPEZDWRDQGL-UHFFFAOYSA-N 222.353 3.513 30 20 BHED C[C@@H](CCC#N)CN(CC1CC1)C1CCCCC1 602459827 VBXYZWURTIQDQL-AWEZNQCLSA-N 248.414 3.971 30 20 BHED C=CCCCCCN(C)C(=O)[C@H](C)C(C)(C)C 606814907 XHHKXDDGDFVZDJ-ZDUSSCGKSA-N 239.403 3.873 30 20 BHED CC(C)(C)C1CCC(CN(CC#N)C2CC2)CC1 610213001 VYJMMMWYJPWIJZ-UHFFFAOYSA-N 248.414 3.827 30 20 BHED C=CCCCCCNC1(C2CCC2)CC1 649811468 STOIVTHPCNEJSQ-UHFFFAOYSA-N 207.361 3.655 30 20 BHED C=C[C@H](C)NC(=O)c1cc2cccc(C)c2s1 673606200 BYQPNGIZZACNGU-JTQLQIEISA-N 245.347 3.514 30 20 BHED C=CC[C@@H](CC)NC(=O)C(CC)(CC)CC 684939080 MIUWEYGPYWRQMT-GFCCVEGCSA-N 225.376 3.674 30 20 BHED C=C(Cl)CN1CCC[C@@H](Cc2ccccc2)C1 730062355 LUDIECGGGODYOI-HNNXBMFYSA-N 249.785 3.694 30 20 BHED CCCCCCCCC(=O)NC1(C)CCC1 754875477 PRBBOLNHJDSUEM-UHFFFAOYSA-N 225.376 3.796 30 20 BHED FC(F)(F)CCON=C1CCC[C@H](C2CC2)C1 777458479 ILXJERQNOULJGZ-JTQLQIEISA-N 249.276 3.912 30 20 BHED CC/C(C)=C(\C)C(=O)Nc1cc(C#N)ccc1C 779883521 QOBRQRHJJWDAFD-ZRDIBKRKSA-N 242.322 3.552 30 20 BHED CC(C)[C@H]1CCCC1=NN[C@@H](C)C(C)(C)C 793112549 UKJVGKWFCLCZFT-NWDGAFQWSA-N 224.392 3.823 30 20 BHED CC[C@@H]1CCCC(=NN[C@@H](C)C(C)(C)C)C1 793115948 USFPIBAYUGRPNH-NWDGAFQWSA-N 224.392 3.967 30 20 BHED C=CC[C@@H](C)N[C@@H](CC)c1ccc(C)cc1O 794811387 QDKWQNKDBIWTTA-OCCSQVGLSA-N 233.355 3.706 30 20 BHED C=CCCCCOC(=O)c1ccc(C(C)C)cn1 811008517 HMWGJTWQWRGLOB-UHFFFAOYSA-N 247.338 3.718 30 20 BHED C=CCCCCOC(=O)[C@@H](C)c1cccs1 811010124 KGSGTVIJDHISOV-NSHDSACASA-N 238.352 3.751 30 20 BHED CC(CCCC(C)C)=NOC/C=C\Cl 811668338 DVCVAXVUJGJKRJ-DBIHJRTBSA-N 217.740 3.958 30 20 BHED Cc1ccnc(NN=C2CCCC23CCCC3)c1 814868337 OPYKWRZXHXRJBN-UHFFFAOYSA-N 243.354 3.902 30 20 BHED CC(C)CON=Cc1ccc2ccccc2c1O 814883990 LBWALFPWGBQONV-UHFFFAOYSA-N 243.306 3.552 30 20 BHED C=C(C)CNC(=N)Nc1ccc([C@@H](C)CC)cc1 849020400 GWXDJIIUDPSMBL-LBPRGKRZSA-N 245.370 3.712 30 20 BHED C#CC1CCC(=NNc2c(F)cccc2F)CC1 853308917 AMOFIVFBZUOLNW-UHFFFAOYSA-N 248.276 3.556 30 20 BHED C1CC(CON=C2CCC3(CC2)CC3)C1 853440764 HWBBJELZJWWLFC-UHFFFAOYSA-N 207.317 3.513 30 20 BHED N#C[C@@H](SCc1ccncc1)C1CCCCC1 901630995 RPWDXRRFPJUUBQ-CQSZACIVSA-N 246.379 3.787 30 20 BHED CC(CCc1ccco1)=NNc1ccc(F)cc1 917023421 UBHFJMDQQOGMIE-UHFFFAOYSA-N 246.285 3.839 30 20 BHED CC1CC(COc2cc(Cl)cc(C#N)c2)C1 1643971723 DXUAJUZWIKGZMM-UHFFFAOYSA-N 235.714 3.637 30 20 BHED O=C(/C=C/c1cccnc1)c1cccc(Cl)c1 7586955 IASOQADGKVJCGU-VOTSOKGWSA-N 243.693 3.631 30 20 BHED CCCCC[C@@H](C)Nc1ccc(OCC#N)cc1 20126599 VKVUTYJWTMFLEO-CYBMUJFWSA-N 246.354 3.970 30 20 BHED C=CCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 48043332 ZSMJSSCGAJYACW-FZMZJTMJSA-N 231.339 3.553 30 20 BHED CC(C)CC[C@@H](C)NCc1cc(C#N)ccc1F 70186167 BFZQQUKSAGSGQP-GFCCVEGCSA-N 248.345 3.612 30 20 BHED CCC1(CC)CCN(CCC(C)(C)C#N)CC1 87595595 NSUSMKUCSPAOLO-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C[C@@H]1CCN(CCCCC#N)c2ccccc21 102397334 XWRHNPQVHZXEFW-CYBMUJFWSA-N 228.339 3.694 30 20 BHED C=CCCC(=O)O[C@H](CC)c1ccccc1 113483458 XMVJXHIMZDYHCP-CYBMUJFWSA-N 218.296 3.647 30 20 BHED C#CCCCCN[C@H]1CCCC[C@@H]1C(C)C 130735753 VUPMQSLFTONLLP-CABCVRRESA-N 221.388 3.594 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cc(C)cc(C)c1 157219286 FIUODFANZAXHBE-STQMWFEESA-N 203.329 3.529 30 20 BHED CC(C)(C#N)CCN(Cc1ccccc1)C1CC1 157558746 HOJCZPHLTBXGHY-UHFFFAOYSA-N 242.366 3.591 30 20 BHED CC[C@H]1CCC[C@H]1Nc1cccc(F)c1C#N 163796610 OLIVVPGEDHGJAH-GXFFZTMASA-N 232.302 3.688 30 20 BHED Cc1ccc(OCCCC(C)(C)C#N)cc1F 192575752 FBYBPDSMOPHTPQ-UHFFFAOYSA-N 235.302 3.843 30 20 BHED Cc1cccc(C(=O)/C=C\c2cccc(C#N)c2)c1 208569136 RRVWYOMQIMKANN-HJWRWDBZSA-N 247.297 3.763 30 20 BHED CC(C)c1ccc(CN(C)CC(C)(C)C#N)cc1 258963311 TVAFTGKIIAQUJI-UHFFFAOYSA-N 244.382 3.792 30 20 BHED CC[C@H](C)[C@@H](C)Nc1cc(C(C)=O)ccc1C#N 302098812 KIWYHHVSGIGZPI-WDEREUQCSA-N 244.338 3.607 30 20 BHED CC(C)C[C@H](C)CNCC(C)(C)CCC#N 309327086 GUUWDIWADJCNIM-ZDUSSCGKSA-N 224.392 3.588 30 20 BHED C=CCC[C@@H](N[C@H](C)CC=C)c1ccco1 309379786 ADRGKQZBKRUHAS-CHWSQXEVSA-N 219.328 3.841 30 20 BHED C=CC[C@H](C)N[C@@H](C)C1CCC(F)(F)CC1 309413019 IVJZZNMKVMHLME-QWRGUYRKSA-N 231.330 3.755 30 20 BHED N#Cc1cccc(Cl)c1N[C@@H]1CC[C@@H](F)C1 309579111 PTQLKIYKLONATO-NXEZZACHSA-N 238.693 3.514 30 20 BHED C=CC[C@H](CC)NCc1csc(C(C)C)n1 310038602 WGAJGBYICUEJJY-NSHDSACASA-N 238.400 3.711 30 20 BHED C=CCC(C)(C)CN[C@@H](C)Cc1cccc(F)c1 311105835 VHJUTXPMZQLPOK-ZDUSSCGKSA-N 249.373 3.949 30 20 BHED C=C(C)CCN[C@H](C)c1cccc(F)c1F 390503965 WCNJLYADXIFYNV-SNVBAGLBSA-N 225.282 3.582 30 20 BHED C=CC[C@H](CC)NCc1ccc2[nH]ccc2c1 393769765 IWPGCTALOULOIJ-AWEZNQCLSA-N 228.339 3.612 30 20 BHED C=CCCC[C@H](C)NCc1ccncc1Cl 398239383 XYVWMKDPPCAMHB-NSHDSACASA-N 238.762 3.569 30 20 BHED C=CCN(C(=O)C1(CC=C)CCCCC1)C1CC1 410666212 YPMBTRUSBCXKNB-UHFFFAOYSA-N 247.382 3.690 30 20 BHED CC(C)[C@@H]1CCCN(c2cccc(F)c2C#N)C1 443985335 GJYUBWMZWCYNFG-GFCCVEGCSA-N 246.329 3.570 30 20 BHED CC[C@H](N[C@H](C)CC1CC1)c1ccc(C#N)cc1 447535672 HQZHQKQIEUWRAX-WBMJQRKESA-N 242.366 3.788 30 20 BHED C=CCC[C@@H](CCC)N[C@@H](CC)C(F)F 449363999 QUWXGJUYYKOZGI-MNOVXSKESA-N 219.319 3.755 30 20 BHED C=CCCCC[C@@H](C)NCc1ccnc(C)c1 449404073 TYGZDSXLFIBPLM-CYBMUJFWSA-N 232.371 3.615 30 20 BHED C=CCCCC[C@@H](C)NCCc1ccc(C)cn1 453421265 LFWNDGNVIXKIIA-OAHLLOKOSA-N 246.398 3.657 30 20 BHED C[C@H](C#N)CN(C)CC[C@@H]1C[C@@H](C)C[C@@H](C)C1 464866361 DVMVELRCFHMAEA-BARDWOONSA-N 236.403 3.540 30 20 BHED C=C(C)CN(CC)CCCc1cccc(F)c1 485788762 GDRRWHGRPYCDMC-UHFFFAOYSA-N 235.346 3.656 30 20 BHED CC(C)[C@H](C)SCc1cccc(F)c1C#N 488266306 SCLYKSCNEQOJHQ-JTQLQIEISA-N 237.343 3.975 30 20 BHED CCC(CC)SCc1cccc(C#N)c1 518980542 JKBGDMGGBFODQC-UHFFFAOYSA-N 219.353 3.980 30 20 BHED C=CC[C@@H](C)N[C@H]1CC(C)(C)c2ccccc21 539071135 OCEYUQVPEJSQRF-DOMZBBRYSA-N 229.367 3.963 30 20 BHED C=CCCC[C@@H](C)NC(=O)NC(C)(C)CCC 553706309 LQRJEPIXRVNQJO-GFCCVEGCSA-N 240.391 3.609 30 20 BHED C=C(C)C[C@H](C)C(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 571356670 REHQPNCXMQXSKN-MELADBBJSA-N 249.398 3.626 30 20 BHED CCc1cccc(NC(=O)CCCCCC#N)c1 588147282 NORPOKBNMFCKDR-UHFFFAOYSA-N 244.338 3.662 30 20 BHED Cc1cc(NCC2(CC#N)CC2)ccc1Cl 594715869 IPULPKNPQVSGEI-UHFFFAOYSA-N 234.730 3.754 30 20 BHED C=CCCNc1ccccc1OCC(F)(F)F 607149484 PWNMPZPPHDQLDV-UHFFFAOYSA-N 245.244 3.616 30 20 BHED C=CCN1CCC[C@H](c2cc3ccccc3[nH]2)C1 613733708 WRYPMQGBDYCBDN-AWEZNQCLSA-N 240.350 3.533 30 20 BHED Cc1cc(C(=O)/C=C\c2ccsc2)ccc1O 728230155 ALXKFYLJNPBBPS-RQOWECAXSA-N 244.315 3.658 30 20 BHED C[C@H]1CCCC1=NNc1nc2ccccc2s1 729140300 ALUDBDYBGRYSFK-VIFPVBQESA-N 245.351 3.884 30 20 BHED CC(=NOCc1cccnc1)C1CCCCC1 746587946 GYUWIUBQTQKUGJ-UHFFFAOYSA-N 232.327 3.554 30 20 BHED CCCCCCC[C@H](C)CNC(=O)C1(C)CC1 760383712 GLWOIFDVPMCQRS-ZDUSSCGKSA-N 239.403 3.899 30 20 BHED C#CCCCN1CCCC[C@H]1c1ccccc1 762636414 YJHVGTGNXRWGOB-INIZCTEOSA-N 227.351 3.627 30 20 BHED CC(C)(C#N)CCCCOC(=O)[C@H]1CC=CCC1 768459687 MLBVDZXNNPTTAU-ZDUSSCGKSA-N 249.354 3.606 30 20 BHED CC[C@@H]1C[C@H](C)CCC1=NNC1CCCC1 769573139 AMEAPQUQKZDBSL-VXGBXAGGSA-N 222.376 3.721 30 20 BHED C#CCCCCCC(=O)NC1C[C@@H](C)C[C@H](C)C1 779918035 OSDWBVXZQLKDRO-KBPBESRZSA-N 249.398 3.511 30 20 BHED C#CCCCCCC(=O)OCc1cccc(C)c1 780255341 QOWXMCJVJKOVSD-UHFFFAOYSA-N 244.334 3.622 30 20 BHED CCCNN=C1CCC2(CCCCC2)CC1 786040528 OVFDZZNUXROQNW-UHFFFAOYSA-N 222.376 3.867 30 20 BHED C(=NNC1CCCCC1)c1ccccc1C1CC1 786041787 CHYBJTXPMXYYDY-UHFFFAOYSA-N 242.366 3.820 30 20 BHED CC(C)O[C@@H](C=NOC1CCC1)c1ccccc1 793055281 LBGOXGHZXCPUKA-HNNXBMFYSA-N 247.338 3.708 30 20 BHED CC(=NNCC1(C)CCCC1)C1CCCC1 793080543 BSCIZCLMNWQOMJ-UHFFFAOYSA-N 222.376 3.722 30 20 BHED C[C@H](NN=C1CCC(C)(C)CC1)C(C)(C)C 793112127 PZWZRGYZTJNFOM-NSHDSACASA-N 224.392 3.967 30 20 BHED CC[C@@H](C)CON=C[C@@H]1CCOc2ccccc21 793158475 HGHKWLAEBQVJLA-OLZOCXBDSA-N 247.338 3.601 30 20 BHED Fc1cccnc1NN=CCC1CCCCCC1 794989458 HRIZHEBWQVEICF-UHFFFAOYSA-N 249.333 3.979 30 20 BHED Fc1cccc(Cl)c1C=NOC/C=C\Cl 811671650 JAKUCFUSXHWJEJ-SJUYUPISSA-N 248.084 3.582 30 20 BHED CC(C)OCCON=C1CCC[C@H](C(C)C)C1 812240678 XKFIFKXUFHRAAY-ZDUSSCGKSA-N 241.375 3.630 30 20 BHED CC[C@H]1CCC[C@@H](C=NOCC2CC2)C1 814244883 MMUFFOBYUPIPNK-WCQYABFASA-N 209.333 3.615 30 20 BHED C=CCCCCC(C)=NOCc1cccnc1 834965445 AQOXTWXBWQLNGY-UHFFFAOYSA-N 232.327 3.721 30 20 BHED C[C@@H](CC(C)(C)C#N)OC(=O)C[C@H]1C=CCCC1 851205372 FRQIVAIPVLMVHK-STQMWFEESA-N 249.354 3.604 30 20 BHED C[C@@H]1CC/C(=C/C(=O)O[C@H](C)CC(C)(C)C#N)C1 851209076 ICYZHYRQZIYDSI-IMQMQEMRSA-N 249.354 3.604 30 20 BHED C=C1CCC(C(=O)N(C)C2CCCCC2)CC1 887581700 CZCYBIZREVTGHK-UHFFFAOYSA-N 235.371 3.524 30 20 BHED C=C1CCC(C(=O)N2CC[C@@H]3CCCC[C@@H]32)CC1 892218572 MGXWKBFKPVDMKF-ZFWWWQNUSA-N 247.382 3.524 30 20 BHED CS[C@H]1CCCC(=NNc2ccccc2)C1 901123300 MCEGXQWXXUHHOG-ZDUSSCGKSA-N 234.368 3.760 30 20 BHED CC(=NNc1ccc(C)cc1)c1cccc(C#N)c1 915936292 UUOGURDOOHDIAT-UHFFFAOYSA-N 249.317 3.703 30 20 BHED CC(=NNc1cc(C)cc(C)c1)c1cccnc1 916346573 JEEKJJAZUWJBSD-UHFFFAOYSA-N 239.322 3.535 30 20 BHED CCCC[C@@H](CC)CNc1cccc(CC#N)n1 1116636015 BOTOKJIHMJCLBL-CYBMUJFWSA-N 245.370 3.776 30 20 BHED C[C@H](CCC#N)CNC[C@@H]1CCCC(C)(C)C1 1560889005 LCQMNBPXRIMSAA-ZIAGYGMSSA-N 236.403 3.732 30 20 BHED CCC[C@@H]1CCCC[C@@H]1CN[C@H]1CC[C@@H](C#N)C1 1652667673 MKDHSQDBAKLDOL-FPCVCCKLSA-N 248.414 3.875 30 20 BHED C[C@H](NC[C@H](C)CCC#N)C1CCCCCC1 1659379996 XCTWYZDGUIUOBQ-KGLIPLIRSA-N 236.403 3.875 30 20 BHED N#CCc1ccc(NCc2ccccc2F)cc1 35046227 PPTMJUFJNVULNW-UHFFFAOYSA-N 240.281 3.504 30 20 BHED CC[C@@H](C#N)SCc1ccccc1C 54964092 HFXXUOWXDWXPOR-LBPRGKRZSA-N 205.326 3.530 30 20 BHED C=C(C)CN(CC)CCOc1cc(C)cc(C)c1 61758653 PYFLVHLCBZKCQS-UHFFFAOYSA-N 247.382 3.580 30 20 BHED CCCCCCCC(=O)N(CC)CCCC 80523250 UZADBXPHDWZTHP-UHFFFAOYSA-N 227.392 3.996 30 20 BHED CC1(C)CCC[C@H]1Nc1cccc(F)c1C#N 94304151 GQKQFXBOLPTDGL-CYBMUJFWSA-N 232.302 3.688 30 20 BHED C=C(CNCc1ccsc1)c1ccccc1 110057618 OPWGHWCBJKWUDS-UHFFFAOYSA-N 229.348 3.551 30 20 BHED C=C[C@@H](C)NC(=O)[C@H](CC1CCCC1)C(C)C 155860757 MOIOVONIBYQFEK-TZMCWYRMSA-N 237.387 3.530 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cc(F)cc(F)c1 161679206 PNIAXSASGGKYCD-VHSXEESVSA-N 225.282 3.580 30 20 BHED Cc1ccc(OCc2ccc(C#N)cc2C)cc1 165542110 ZSXCGJPQBCAZDU-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C[C@H](C#N)CN[C@@H]1CCC[C@@H](C(C)(C)C)CC1 226554986 LQFGXXMQBUQRAA-MGPQQGTHSA-N 236.403 3.731 30 20 BHED CCc1ccc(CNCC(C)(C)CCC#N)cc1 230649754 GIMDEAVBUGVCRU-UHFFFAOYSA-N 244.382 3.669 30 20 BHED C=C(Cl)COc1cccc(Cl)c1F 307519571 NLJTYTKBQLZBLH-UHFFFAOYSA-N 221.058 3.610 30 20 BHED C=CCCCCN[C@H]1CCC[C@@H]1C1CC1 309007938 QOCBROMPTCAMGX-KGLIPLIRSA-N 207.361 3.511 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cccc(C2CC2)c1 340263461 WEPHGHYLWOPUFU-RYUDHWBXSA-N 215.340 3.789 30 20 BHED C=CCc1ccc(OC[C@@H](F)CC)c(OC)c1 441829966 YVOLAPRNBBCVNC-LBPRGKRZSA-N 238.302 3.551 30 20 BHED C/C=C\CS[C@@H](C)c1cccc(C#N)c1 443143870 DTTIRTXJBVPNIF-BYCRGOAPSA-N 217.337 3.929 30 20 BHED N#CCc1ccc(CSC2CCC2)cc1 450984778 GJNNQDVYZHZQEQ-UHFFFAOYSA-N 217.337 3.538 30 20 BHED CC(C)[C@@H]1C[C@H]1CN[C@H](C)c1cccc(C#N)c1 453373209 WXKQYEFYOILWJF-KCXAZCMYSA-N 242.366 3.501 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cccc2cc[nH]c12 577623903 GULUFNUKZZVNPQ-UHFFFAOYSA-N 242.322 3.709 30 20 BHED CC[C@H](NCCCC#N)c1cc(C)ccc1C 599043142 GLOZASKEEDMCKK-HNNXBMFYSA-N 230.355 3.648 30 20 BHED C=CCSCCCOc1cc(C)ccc1C 609633897 FKQXXNPUSDFLMD-UHFFFAOYSA-N 236.380 3.992 30 20 BHED C[C@H](c1cccc(F)c1)N1CCC[C@](C)(C#N)C1 612161777 IDKLMBYKCPFPPD-IUODEOHRSA-N 246.329 3.512 30 20 BHED C=C(C)CCN1CCc2cc(F)ccc2[C@H]1C 681403195 FPQKJOYVGRSFBZ-GFCCVEGCSA-N 233.330 3.711 30 20 BHED C=CCCC(=O)O[C@H](C)c1cccc(Cl)c1 726656595 VYDKRWDAVJWWMQ-SNVBAGLBSA-N 238.714 3.910 30 20 BHED C=CCC(CC=C)C(=O)O[C@H](C)CC(C)C 758517971 LYDOWBQBHBGTAU-GFCCVEGCSA-N 224.344 3.733 30 20 BHED N#Cc1cccc(NN=CC2CCCCC2)c1 767336974 YATOJGHELQWMSL-UHFFFAOYSA-N 227.311 3.536 30 20 BHED CC(=NNc1cccc(C)c1)c1cnccc1C 771552391 GLUIFBSPEWOJFH-UHFFFAOYSA-N 239.322 3.535 30 20 BHED C#CCCCCCC(=O)Nc1ccc(C)c(F)c1 779716530 ZLQZWVZQUCNNNJ-UHFFFAOYSA-N 247.313 3.656 30 20 BHED CCCCCCCCC[C@H](C)CC(=O)NO 787866890 GRRVSDQQALXOBG-LBPRGKRZSA-N 229.364 3.659 30 20 BHED CC[C@H](C)NN=C1CC[C@@](C)(c2ccccc2)C1 790191738 WQAVWDRPHOESKC-XJKSGUPXSA-N 244.382 3.872 30 20 BHED Cc1ccc(C)c(C=NN[C@H](C)C(C)(C)C)c1 793115464 MVUCOSBAPHGPKC-CYBMUJFWSA-N 232.371 3.662 30 20 BHED C#Cc1ccc(CNCc2ccc(CC)cc2)cc1 809610737 BVZURRBDDDOCOT-UHFFFAOYSA-N 249.357 3.520 30 20 BHED CCC(=NN[C@@H](C)c1ccccc1)c1ccco1 814815268 RNAUWXJNBMHJRY-LBPRGKRZSA-N 242.322 3.745 30 20 BHED COCc1ccccc1/C=C(\C)C=NOC(C)C 835001982 LFAAOVOOIJQFOY-TUDQHJMQSA-N 247.338 3.647 30 20 BHED C[C@]1(C=NNC2CCCC2)C[C@@H]1c1ccccc1 841627591 VXVIAWRXVKCTFQ-HZPDHXFCSA-N 242.366 3.698 30 20 BHED Cc1nc(C(C)C)ccc1CON=C1CCC1 842031195 SBZMDEFDIPXLQE-UHFFFAOYSA-N 232.327 3.570 30 20 BHED Cc1cc(C#N)cc(N[C@H]2CCC23CCC3)c1 1206269575 CLDVGJDBIYBXCH-AWEZNQCLSA-N 226.323 3.611 30 20 BHED C[C@@H]1CC(=NOC(C)(C)C)c2ccccc21 1342843907 RUFKHNJMYHIJNN-SNVBAGLBSA-N 217.312 3.713 30 20 BHED CCCC[C@@H](CC)Nc1cc(C#N)ccc1OC 1652158956 PWKNIOYZPYIWOM-CYBMUJFWSA-N 246.354 3.948 30 20 BHED CC(C)CCCOc1ccc(C#N)cc1F 36886900 QXDRDDCPIMULHN-UHFFFAOYSA-N 221.275 3.512 30 20 BHED Cc1ccc(C)c(OCCC(C)(C)C#N)c1C 57713729 POHVWORYYFSTFJ-UHFFFAOYSA-N 231.339 3.931 30 20 BHED C[C@@H](C#N)CSc1ccccc1NCC1CC1 127927919 ADUFVTBPAWLVJI-NSHDSACASA-N 246.379 3.760 30 20 BHED CC#CCN[C@H](C)c1cccc(Cl)c1Cl 131609002 UUILSYGDHOPYFF-SECBINFHSA-N 242.149 3.667 30 20 BHED Cc1ccnc(N[C@@H]2CCCCC2(C)C)c1C#N 135085263 GMGUDYGLPXALLL-CYBMUJFWSA-N 243.354 3.642 30 20 BHED C=C(C)CNCc1ccc(Cl)cc1Cl 160185044 PEBVDUVPQHLBEZ-UHFFFAOYSA-N 230.138 3.659 30 20 BHED C=CC1CCN(C(=O)C2CCC(C)(C)CC2)CC1 160243631 RWFMXUQGGXKISF-UHFFFAOYSA-N 249.398 3.627 30 20 BHED C=C(CC)COc1ccc2[nH]ccc2c1 163164176 FSXSZUVCMBUDBP-UHFFFAOYSA-N 201.269 3.513 30 20 BHED Cc1coc(S[C@H](C)c2cccc(C#N)c2)n1 188324280 FGTRLTFLWOXWBZ-SNVBAGLBSA-N 244.319 3.708 30 20 BHED CC(CCC(C)C)=NOC/C=C\Cl 308137057 GBOMPQJFWFHTTH-BSHXFBGSSA-N 203.713 3.568 30 20 BHED C=CC[C@H](C)NC[C@@H]1C(C)=CCC[C@@H]1C 309004737 PJGZLIKSHWYDQY-MELADBBJSA-N 207.361 3.533 30 20 BHED C[C@@H]1CCC[C@@H](C(O)=Nc2ncc(C3CC3)[nH]2)C1 329475377 SYLIVKFTZXAJDU-MWLCHTKSSA-N 247.342 3.701 30 20 BHED C=C[C@H](C)N[C@H]1CCC[C@@H](c2ncccc2C)C1 343454650 KJLRPGRQVHRAQU-ZNMIVQPWSA-N 244.382 3.580 30 20 BHED CC[C@H](NCCC1(C)CC1)c1ccc(C#N)cc1 358988708 NIYREBDYSUFZIH-HNNXBMFYSA-N 242.366 3.789 30 20 BHED C/C=C/c1ccc(NC(=O)[C@](C)(C#N)CC)cc1 360328540 ZYVHHNHCNBTTBO-DRDHIDPGSA-N 242.322 3.598 30 20 BHED C=CCC[C@@H](NCC(C)(C)CC=C)C1CC1 382145325 NQWIFUCHXUUYHG-CQSZACIVSA-N 221.388 3.923 30 20 BHED CCCC[C@H](C)N(C)Cc1ccc(CC#N)cc1 399069515 NKNMRCDLKMCLSD-AWEZNQCLSA-N 244.382 3.763 30 20 BHED C[C@H](SCC1(C#N)CCC1)c1cccnc1 419480017 UMENYYIQIWLROY-NSHDSACASA-N 232.352 3.570 30 20 BHED C=CCN(CCC#N)CC1CCC(C)(C)CC1 428839280 JFDPYZDMELGPNH-UHFFFAOYSA-N 234.387 3.604 30 20 BHED CC[C@H](N[C@@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 447595557 AHJFGVWRXLNHEK-WQVCFCJDSA-N 242.366 3.788 30 20 BHED Cc1cccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)c1 449775605 MQQHKMUCEXNJCI-SQWLQELKSA-N 242.366 3.728 30 20 BHED C=C(C)CCNC(=O)[C@@H](CCC)c1ccccc1 452722834 LNGMDEFFVBKJPU-HNNXBMFYSA-N 245.366 3.653 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H](C)CCc1ccco1 532461690 OCRZPHCVXCJIFQ-BFHYXJOUSA-N 235.371 3.791 30 20 BHED Cc1cc(SCCCCF)ccc1C#N 564656885 YQAWMRUFBDQTNE-UHFFFAOYSA-N 223.316 3.709 30 20 BHED C=CCCCCCN1CCC(F)(F)[C@@H](C)C1 566741899 ABGDUYVYMSAZIY-LBPRGKRZSA-N 231.330 3.710 30 20 BHED C=CCCc1ccccc1NCCOC1CCC1 577101049 UVKJHXSMNYICLF-UHFFFAOYSA-N 245.366 3.786 30 20 BHED COc1cccc(SCC(C)(C)CC#N)c1 584362150 PDKGTCNQDXEKLJ-UHFFFAOYSA-N 235.352 3.727 30 20 BHED CCCOc1cccc(NC[C@@H](C)CCC#N)c1 602484639 OELDXXHDULMJKS-ZDUSSCGKSA-N 246.354 3.827 30 20 BHED C=CCCN1CCC2(CCCCC2)CC1 606897916 NJKFDEOTHJXCHK-UHFFFAOYSA-N 207.361 3.609 30 20 BHED C=CC[C@H]1CCCN(C(=O)CCC(C)(C)C)C1 617783707 FLJMKHKKTPJESZ-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C=C(C)CN(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 671790756 BIBOUALRZVLCCV-QLFBSQMISA-N 249.398 3.627 30 20 BHED CCCCCCCCC(=O)N(C)CCC1CC1 747039130 GSMJVYZPGBNJNL-UHFFFAOYSA-N 239.403 3.996 30 20 BHED Cc1ccc(F)c(NN=C[C@H]2C[C@H]3C=C[C@H]2C3)c1 755773147 RLIRUYGNHLQFGD-RWMBFGLXSA-N 244.313 3.744 30 20 BHED CC(CC1CCC1)=NNc1ccc(Cl)nc1 758379550 WVXHJIJOCODTPT-UHFFFAOYSA-N 237.734 3.713 30 20 BHED CC[C@@H](C)C(C)=NNc1ncnc2ccsc12 764836073 SWLJNJIKFVWYTP-MRVPVSSYSA-N 248.355 3.525 30 20 BHED C#CCCCN[C@H](c1ccc(F)cc1)C1CCC1 766914647 CNCSUWKJCAJWIU-INIZCTEOSA-N 245.341 3.670 30 20 BHED C#CCCCNC1(c2ccc(F)cc2)CCCC1 766916868 LKLUMVSNAZGQLI-UHFFFAOYSA-N 245.341 3.598 30 20 BHED O=C(/C=C\c1cccc(Cl)c1)c1cscn1 769266476 WKSLKKRHJKGJBP-PLNGDYQASA-N 249.722 3.693 30 20 BHED CC[C@@H]1C[C@@H](C)CCC1=NNc1ccc(F)cn1 769587794 YTEBTEGZLDIBDR-WDEREUQCSA-N 249.333 3.835 30 20 BHED CCOCCON=C(C(C)C)C1CCCCC1 774433935 NQRNATJDRKMOGG-UHFFFAOYSA-N 241.375 3.632 30 20 BHED C#CCCN[C@@H](CC1CCC1)c1ccccc1 778237740 RQUCADOPRPXKES-INIZCTEOSA-N 227.351 3.531 30 20 BHED CSc1ccc(C=NOCCC2CC2)cc1 783550959 XSAUGFDMLNIRCG-UHFFFAOYSA-N 235.352 3.559 30 20 BHED CC[C@H]1CCC[C@H](C=NOCC(F)(F)F)C1 783855886 PLWPPGAWSOFGAJ-UWVGGRQHSA-N 237.265 3.768 30 20 BHED CC(C)=CCC[C@H](C)CC=NNc1nccn1C 790301088 BJCOOQPXYYWQBS-ZDUSSCGKSA-N 248.374 3.590 30 20 BHED C=CCOC(=O)c1csc2cc(C)ccc12 796357369 UKCQYLJAXNFGBH-UHFFFAOYSA-N 232.304 3.553 30 20 BHED C[C@H](C=NOC/C=C\Cl)c1ccccc1 811669064 BLBNZKROHBNBJF-AFDOPZPZSA-N 223.703 3.545 30 20 BHED CCO[C@@H]1CC(=NOC2CCC2)C1(CC)CC 812237069 IWVXGBDYFNBJRO-CYBMUJFWSA-N 239.359 3.527 30 20 BHED CCC[C@@H](C)C(CC)=NOCCOC(C)C 812237454 AVOPVLUTIQBWOD-GFCCVEGCSA-N 229.364 3.630 30 20 BHED CCOc1ccc(NN=C(CC)CC)cc1 814984635 DQMGWXQMAPMXMS-UHFFFAOYSA-N 220.316 3.673 30 20 BHED CC[C@@H](C)C=NNc1cc(Cl)nc(Cl)c1 819828695 MYGQLAJUAOWUCP-SSDOTTSWSA-N 246.141 3.832 30 20 BHED CCC(=NNc1ncccc1Cl)[C@H]1C[C@H]1C 841620402 WKMDIQFHZURQDW-BDAKNGLRSA-N 237.734 3.569 30 20 BHED C=C(C)CON=C1CCC[C@@H](c2cccnc2)C1 844617739 ALEIXTOCKGSZMJ-CYBMUJFWSA-N 244.338 3.688 30 20 BHED CC(C)Oc1ccc(NC[C@@H](C)CCC#N)cc1 876819084 ICGQAKBVYMNRSX-ZDUSSCGKSA-N 246.354 3.826 30 20 BHED C=C[C@H](CC)CC(=O)N(C)Cc1ccccc1C 929300873 QAEXRRMXRBBAKN-CQSZACIVSA-N 245.366 3.556 30 20 BHED CC(CCCC(C)C)=NNc1ccc(C#N)cn1 1333671081 YEMXRXHYGUURHB-UHFFFAOYSA-N 244.342 3.567 30 20 BHED Cc1cc(C)cc(N(C)C[C@@H](C)CCC#N)c1 1474430142 YLQXCVPCFGRVOV-LBPRGKRZSA-N 230.355 3.680 30 20 BHED Cc1ccc(C)c(C(=O)/C=C/c2cccnc2)c1 7621509 UEKNLSHBPZNNMK-BQYQJAHWSA-N 237.302 3.595 30 20 BHED N#Cc1cccc(CSc2cccs2)c1 20078176 USFRKRYKQXEIHC-UHFFFAOYSA-N 231.345 3.912 30 20 BHED C[C@@H]1CCC[C@H](Nc2ccc(OCC#N)cc2)C1 20126416 JYDQQQFCACQUDW-OCCSQVGLSA-N 244.338 3.580 30 20 BHED CC[C@H](C)C[C@@H](CC)NCc1cccc(C#N)c1 37748754 XQAICACZIGQBQE-XJKSGUPXSA-N 244.382 3.863 30 20 BHED Cc1c(Cl)cccc1NCC1(CC#N)CC1 83853540 PEOFSZKWANKWGK-UHFFFAOYSA-N 234.730 3.754 30 20 BHED C=CCCC[C@H](C)N(C)CCC(F)(F)F 91553645 KXCGQRVLSVIOBF-JTQLQIEISA-N 223.282 3.615 30 20 BHED C=CCOc1ccccc1CN[C@@H](C)C1CCC1 130816860 ZDEXGTFVYFCFGG-ZDUSSCGKSA-N 245.366 3.530 30 20 BHED CN(Cc1cccc(F)c1)CC(C)(C)CCC#N 160473993 YMYCTMVMCSPWMM-UHFFFAOYSA-N 248.345 3.587 30 20 BHED C=CC[C@H](C)N[C@@H]1CCc2cc(Cl)ccc21 161649629 PWABDGOOLCNGDI-IINYFYTJSA-N 235.758 3.882 30 20 BHED C=CCC1(C(=O)N2CC[C@@H](C)C[C@H](C)C2)CCC1 189712045 OYGIDEXUXMKGDC-KGLIPLIRSA-N 249.398 3.627 30 20 BHED CC(C)[C@H](C)Sc1cccc(F)c1C#N 230923568 LAYVJHKIYYCWGF-VIFPVBQESA-N 223.316 3.834 30 20 BHED C#C[C@H](CC)NC(=O)C1CCC(CCCC)CC1 232920400 YXSOJVCVAOBEAI-YMAMQOFZSA-N 249.398 3.511 30 20 BHED CC[C@@H]1CCC[C@H](N[C@H]2CCC[C@H](C#N)C2)C1 248885629 SAYOZWZYYFSZCW-QPSCCSFWSA-N 234.387 3.627 30 20 BHED C=CCCNc1cc(Cl)ccc1-n1cccn1 303942099 YRWPGLJPLMGTPC-UHFFFAOYSA-N 247.729 3.514 30 20 BHED C=C(C)CSc1ccc(F)cc1F 306949021 AQGLTXGQSIVZQG-UHFFFAOYSA-N 200.253 3.633 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCC(C)(C)C1 308846808 MNDFFTVDFWBANG-YNEHKIRRSA-N 209.377 3.755 30 20 BHED C=CC[C@@H](CC)NCc1ccc(Cl)c(F)c1 309484703 VADKVSAREPJZEG-LLVKDONJSA-N 241.737 3.923 30 20 BHED C=CCC(C)(C)c1noc([C@H]2CC[C@H](C)C2)n1 340782034 WKGVHNFVJISRBR-QWRGUYRKSA-N 234.343 3.827 30 20 BHED C[C@@H](CCSCCC#N)OCc1ccccc1 413011324 IVQSTBSTHDRGBY-ZDUSSCGKSA-N 249.379 3.629 30 20 BHED Cc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1C 424333530 UMAAUMOYRRDROD-IJEWVQPXSA-N 242.366 3.646 30 20 BHED C=CCCCN1CC[C@@H](c2ccccc2)[C@@H]1C 434900464 NATQZHGTLUBIQJ-GOEBONIOSA-N 229.367 3.831 30 20 BHED C=CCN(C)[C@H]1CC[C@](C)(c2ccccc2)C1 437959792 UMAVTKSZXVPUNB-HOTGVXAUSA-N 229.367 3.615 30 20 BHED N#Cc1ccc(/C=C\c2cc(Cl)cs2)nc1 447368161 PEJYWKQAQBVANV-ARJAWSKDSA-N 246.722 3.839 30 20 BHED C=CCC[C@H](CCC)N[C@H]1C[C@@H](C)n2ccnc21 449573667 ROIULVKWVCFYLF-RDBSUJKOSA-N 247.386 3.613 30 20 BHED N#Cc1c(Cl)cccc1N[C@H]1CCC[C@H]1F 450544952 SSSNLWPBABMIPW-PWSUYJOCSA-N 238.693 3.514 30 20 BHED CC(C)(CCC#N)CN1CC2(CCCCC2)C1 459600762 UVBOXYATIJIFJP-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=C[C@H]1CCCCN1CCCc1ccccc1 489500746 VMOYPKJBZDOTPQ-INIZCTEOSA-N 229.367 3.660 30 20 BHED CCC(CC)SCc1ccc(C#N)cc1OC 499316838 OXZPAOPFBJDCOP-UHFFFAOYSA-N 249.379 3.989 30 20 BHED C=C1CCN(C(=O)C[C@@H](C)C2CCCCC2)CC1 519419587 AHKGKAPOWQTLNB-CQSZACIVSA-N 249.398 3.772 30 20 BHED C=CCCN1CCC[C@H]1Cc1ccccc1C 525328522 ALLAAFIPEOWMOL-INIZCTEOSA-N 229.367 3.578 30 20 BHED C=CCCN1CCC(Cc2cccc(F)c2)CC1 525329332 WVZCNFHMSMUVRQ-UHFFFAOYSA-N 247.357 3.656 30 20 BHED C=CCCCCSC[C@H]1CCC[C@@H](O)C1 576015651 IUCZMLSWQOTHFN-QWHCGFSZSA-N 228.401 3.627 30 20 BHED C=CCCCCOc1ccc(CCC(C)=O)cc1 582291002 GKDDOCMZFIHFTH-UHFFFAOYSA-N 246.350 3.943 30 20 BHED Cc1ccc(C)c(NC(=O)CCCCCC#N)c1 588148095 WNDROJVJNUARIR-UHFFFAOYSA-N 244.338 3.716 30 20 BHED C=CCCCN(C)c1cc(C)cc(C)c1 605150114 SXKWXCGGQRBLDT-UHFFFAOYSA-N 203.329 3.706 30 20 BHED C=CCCCN(C1CC1)[C@H](C)[C@H](C)CC 605150583 BKDYWMMISZBWHO-CHWSQXEVSA-N 209.377 3.852 30 20 BHED CC[C@H](C)Sc1nc2c(c(C)c1C#N)CCC2 609960995 RPMQGFRYCXOVMY-VIFPVBQESA-N 246.379 3.641 30 20 BHED C[C@@H](c1ccc(F)cc1)N1CCC[C@@](C)(C#N)C1 612162297 GLFFKQADNXBJDC-WFASDCNBSA-N 246.329 3.512 30 20 BHED N#Cc1cccc(S[C@H]2CCCCCC2=O)c1 675210458 IUYKALWZDMXZOY-AWEZNQCLSA-N 245.347 3.552 30 20 BHED CCCCNN=C1CCC[C@H]1c1ccccc1 732528645 SKLKPBOPORUBBW-AWEZNQCLSA-N 230.355 3.700 30 20 BHED CCCCCCC[C@@H](C)NCc1cc(C)ncn1 768514532 XTSSJQKRKBMHGK-CYBMUJFWSA-N 249.402 3.624 30 20 BHED CC(CCC1CC1)=NNc1nc2ccccc2[nH]1 768763802 MFGDCYHHRYLWFI-UHFFFAOYSA-N 242.326 3.541 30 20 BHED COCc1ccc(C=NOC2CCCCC2)cc1 777460450 XTSUQINHYDPHKO-UHFFFAOYSA-N 247.338 3.516 30 20 BHED C#CCCCCCC(=O)Nc1ccccc1C 779704621 TVXBIIYGRHIYHU-UHFFFAOYSA-N 229.323 3.517 30 20 BHED C=CCSCCSCc1ccccc1 790450401 ONTHCYFSOWVFBW-UHFFFAOYSA-N 224.394 3.839 30 20 BHED C=CCCCCC[C@H](C)NC[C@@]1(C)CCOC1 793543639 VYWSUQHYVZJDPS-LSDHHAIUSA-N 239.403 3.528 30 20 BHED Cc1cc([N+](=O)[O-])ccc1NN=CCC(C)(C)C 807990501 FWONPQUPXOPMFM-UHFFFAOYSA-N 249.314 3.737 30 20 BHED CC1(C)CC(=NNc2cc(F)c(F)cc2F)C1 814849560 AOIBSRKTFZGSLC-UHFFFAOYSA-N 242.244 3.692 30 20 BHED Fc1cccnc1NN=CCC1CCCCC1 814927365 LBIZVZWJEJSNKG-UHFFFAOYSA-N 235.306 3.589 30 20 BHED CCC(C)(CC)C(=O)O[C@@H](C)CC(C)(C)C#N 851207391 XEGYPPNBBDUQQP-NSHDSACASA-N 239.359 3.684 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1c[nH]c2ccccc12 888113620 KJTGVKGVGFWHDW-OAHLLOKOSA-N 242.322 3.709 30 20 BHED C=C[C@H](CC)Cc1nc([C@H](C)c2ccco2)no1 904111323 SWNZIASIKITQEB-GHMZBOCLSA-N 246.310 3.569 30 20 BHED C[C@H]1CC[C@H](C)N1CCCCC1(C#N)CCC1 929829409 QZSPNSFFEBYBMD-KBPBESRZSA-N 234.387 3.723 30 20 BHED COc1ccc(C#N)cc1N[C@H](C)CC(C)(C)C 1205347930 UMNSTZMUIXZRGG-LLVKDONJSA-N 246.354 3.803 30 20 BHED C=C1CCN(Cc2ccc(CCC)cc2)CC1 1318608291 RHKUCQXREKAQJT-UHFFFAOYSA-N 229.367 3.791 30 20 BHED CCC(=NNCC(C)C)C1CCCCC1 1320547770 JNFXJMWMMDZWMZ-UHFFFAOYSA-N 210.365 3.578 30 20 BHED C#Cc1cccc(N[C@H](C)[C@@H](C)CC)c1 21791875 KPYLHGBJAOETIM-NWDGAFQWSA-N 201.313 3.514 30 20 BHED CC[C@@H](C)Sc1nc2c(cc1C#N)CCCC2 49957003 RCCZCUUYIXLZRT-SNVBAGLBSA-N 246.379 3.723 30 20 BHED Cc1ccc(N(C)CCCC(C)(C)C#N)cc1 87608673 WBPGXFIXFFUUIZ-UHFFFAOYSA-N 230.355 3.761 30 20 BHED CC1(C)CCC[C@@H]1Nc1ccc(CC#N)cc1 94306138 KSKQKGXAPYDQFF-AWEZNQCLSA-N 228.339 3.743 30 20 BHED C=CC[C@H](C)N[C@H]1CCC[C@H](C2CC2)C1 161661430 HYCBRRJKFKXKDD-UBHSHLNASA-N 207.361 3.509 30 20 BHED C=C(Cl)CN[C@H](C)c1ccc(F)cc1Cl 161743580 XUGHASMOXQGDQY-MRVPVSSYSA-N 248.128 3.882 30 20 BHED CCN(CCCCC#N)c1ccc(C)cc1C 171033624 PQWTYRHXCOLDNO-UHFFFAOYSA-N 230.355 3.824 30 20 BHED Cc1ccsc1/C=C\C(=O)c1ccccc1O 213355627 LJLPUNPQNQMVKV-SREVYHEPSA-N 244.315 3.658 30 20 BHED CC1(CNCc2cccc(C#N)c2)CCCCC1 229587950 GFJLHWLQRIBPJG-UHFFFAOYSA-N 242.366 3.618 30 20 BHED C[C@H]1C[C@H](NCCCCC#N)c2ccccc21 289213019 KOSABCXRRONUJN-WFASDCNBSA-N 228.339 3.518 30 20 BHED Cc1ccc(CN(C)c2ccc(C#N)cc2)s1 301180948 ZCLLFSNHSBUXLK-UHFFFAOYSA-N 242.347 3.565 30 20 BHED C=C[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1Cl 301597577 GUYOSJLIQHJWSQ-QMMMGPOBSA-N 240.690 3.543 30 20 BHED CC[C@@H](C)[C@H](C)Nc1cc(C(C)=O)ccc1C#N 302098810 KIWYHHVSGIGZPI-MNOVXSKESA-N 244.338 3.607 30 20 BHED C=CC[C@@H](CC)NCc1ccc(CC)cc1 309475146 RPRGBOICRULWKM-OAHLLOKOSA-N 217.356 3.693 30 20 BHED C=CCCNc1cccc(OCCCC)c1 309697215 LKMVFMVRJOTJMK-UHFFFAOYSA-N 219.328 3.854 30 20 BHED C[C@H](SCC1(C#N)CC1)c1ccccc1F 347051453 AEYWICGWPVYBMJ-JTQLQIEISA-N 235.327 3.924 30 20 BHED C=CCCCS[C@H](C)c1ncc(C)o1 356080863 OMXGXJFIQJGYBW-SNVBAGLBSA-N 211.330 3.743 30 20 BHED C=CCC[C@H](CCC)N[C@H]1CCC[C@H]1F 382146440 NYMPVWXUNMCAOE-XQQFMLRXSA-N 213.340 3.602 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1nc(C)cs1 393763943 OMUVAJMPIUMHSZ-PWSUYJOCSA-N 238.400 3.847 30 20 BHED C=CCC[C@@H](NC[C@@H]1CC12CC2)c1ccco1 417331108 BFEBGSBNNFCCOA-QWHCGFSZSA-N 231.339 3.677 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccc(OC)cc1C 424648413 RWBCKJQUVMVUHT-UHFFFAOYSA-N 247.338 3.544 30 20 BHED C=C[C@H](C)N[C@H]1CC[C@](C)(c2ccccc2)C1 438201934 RCARZONAKPRUIT-BPUTZDHNSA-N 229.367 3.661 30 20 BHED C=C(C)CNCc1cccc2c(OC)cccc12 449273461 YSASYADAZIDEQU-UHFFFAOYSA-N 241.334 3.514 30 20 BHED C=CCC[C@H](CCC)NCCC[C@H]1CCOC1 449678737 BSEDUNZZDDUFOM-GJZGRUSLSA-N 239.403 3.528 30 20 BHED C=CCC1(C(=O)NCC2(C(C)C)CC2)CCCC1 450073457 KXYUWZMRDZRCKT-UHFFFAOYSA-N 249.398 3.675 30 20 BHED C=CC(C)(C)c1nc(-c2cccc(C)c2F)no1 453162238 GFDJTNWASUSJGQ-UHFFFAOYSA-N 246.285 3.648 30 20 BHED C=C(C)CCN[C@H]1CCc2c(F)ccc(F)c21 453323720 SJABHQCFMQUZQE-ZDUSSCGKSA-N 237.293 3.508 30 20 BHED CC[C@@]1(C(C)C)C[C@H]1NCc1ccc(C#N)s1 453613763 ONKZDGCXXQSTCM-KGLIPLIRSA-N 248.395 3.534 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 468003594 JEFYYXWJGJREGF-SQWLQELKSA-N 249.398 3.674 30 20 BHED C=CCCC1(C(=O)N(C)C2CCCCCC2)CC1 483160093 PWVPPHXMWWYOOF-UHFFFAOYSA-N 249.398 3.914 30 20 BHED C=CCN1CC=C(c2ccccc2Cl)CC1 509445515 BAEIIRMRFGWGOD-UHFFFAOYSA-N 233.742 3.615 30 20 BHED C=CCCCSCc1ccc([N+](=O)[O-])cc1 513814253 VENCIDSDYOOSLK-UHFFFAOYSA-N 237.324 3.794 30 20 BHED C=CCOCCN(C(C)C)[C@@H](C)c1ccccc1 559248671 XYERFSSEIUFSHW-HNNXBMFYSA-N 247.382 3.661 30 20 BHED CC(C)(C#N)CCSCC(=O)c1ccccc1 601085369 QUMSSSSDCLPIFJ-UHFFFAOYSA-N 247.363 3.542 30 20 BHED CC[C@@H](NC[C@H](C)CCC#N)c1ccccc1 602523462 CVDSUPLFZUMIAZ-UKRRQHHQSA-N 230.355 3.667 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@H](C)c1ccco1 626370218 GHRVEQPSQVGXMM-STQMWFEESA-N 249.354 3.634 30 20 BHED C=CC[C@@H](CC)NCc1cc2c(C)cccc2[nH]1 657454631 CDZJTKOZTONQJI-CYBMUJFWSA-N 242.366 3.921 30 20 BHED CCOCC(C)=NNc1cccc2ccccc12 726420318 MHFXZQLIHUWUAA-UHFFFAOYSA-N 242.322 3.664 30 20 BHED c1cncc(CON=C2CCC[C@H](C3CC3)C2)c1 746586285 VQKODPGEXYUGSU-AWEZNQCLSA-N 244.338 3.554 30 20 BHED CC(=NNc1cc(C)cc(C)c1)C1CCC1 747630138 MLFMLMZKARHRKV-UHFFFAOYSA-N 216.328 3.891 30 20 BHED CCC(CC)NN=C1C[C@@H](C)C[C@@H](C)C1 747750072 GNWNKMCDUJDZME-PHIMTYICSA-N 210.365 3.577 30 20 BHED CC1CC(/N=C\c2c(O)ccc3ccccc23)C1 751889754 CFVDEYUIFMQJSU-YVLHZVERSA-N 239.318 3.763 30 20 BHED C=C(Cl)CNC(=O)[C@@H](CCCCC)C(C)C 755382237 OQUAYKIGFSTJIZ-LBPRGKRZSA-N 245.794 3.708 30 20 BHED CC(CC1CCOCC1)=NNc1ccc(C)cc1 757561189 LOCVJDVZEMZWFY-UHFFFAOYSA-N 246.354 3.600 30 20 BHED CC(CCCC(F)(F)F)=NNc1ccccn1 774334386 ICMXBOXTNQZSMA-UHFFFAOYSA-N 245.248 3.602 30 20 BHED CC[C@H](C)NN=C(CCC(C)C)C1CC1 802712578 QHMNXGLIAUYYAW-NSHDSACASA-N 210.365 3.577 30 20 BHED C=C(C)C(C)(C)c1nc([C@@H](C)CCC)no1 818380738 HLFKYUJKFUDHKB-JTQLQIEISA-N 222.332 3.827 30 20 BHED Fc1ccc(NN=C2CCCC23CCC3)cc1 834919608 YFRWNICRODPYTQ-UHFFFAOYSA-N 232.302 3.948 30 20 BHED C=CCCCC(=O)OC[C@H](CC)CC(F)F 845758083 CSBOQIBQYGQLBU-SNVBAGLBSA-N 234.286 3.567 30 20 BHED c1ccc([C@@H]2CCCC2=NOCC2CCC2)nc1 853440421 CJRPRGGJRVMLNX-ZDUSSCGKSA-N 244.338 3.522 30 20 BHED C[C@@H]1CCCCC1=NN[C@H](C)c1ccccc1 920385437 CWZXXKAOMSVLJJ-CHWSQXEVSA-N 230.355 3.903 30 20 BHED C[C@H](Nc1ccc(C#N)cc1)c1ccc(C#N)cc1 19951028 XZJHNBMPPXVDTB-LBPRGKRZSA-N 247.301 3.603 30 20 BHED CCCCCN(CCCCC#N)C(C)C 42556956 NWZMBAOWZGEOJL-UHFFFAOYSA-N 210.365 3.581 30 20 BHED CCSc1ccc(Cl)cc1N[C@@H](C)C#N 105413214 UFXYCNKAJPFQDL-QMMMGPOBSA-N 240.759 3.776 30 20 BHED C=CCCC(=O)O[C@@H](C)c1ccc(C)cc1 113656497 AFKOMGZONWPQGK-LBPRGKRZSA-N 218.296 3.565 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cc(C)ccc1C 125234594 UQPRNZBNELJDMF-KBPBESRZSA-N 217.356 3.919 30 20 BHED CC[C@H](C#N)S[C@@H](C)c1ccccc1F 127583458 UHRPSNFSPXXIAL-VHSXEESVSA-N 223.316 3.922 30 20 BHED C=C[C@@H](C)NCc1ccc(Cl)cc1Cl 130484197 FHHNXEPVVOXSLJ-MRVPVSSYSA-N 230.138 3.658 30 20 BHED C=CCC[C@@H](C)N[C@H]1CCCC(C)(C)C1 132040657 CAKOMFQPDPWSDG-OLZOCXBDSA-N 209.377 3.900 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H](C)C1CCCCC1 150848448 XDOLLSPHQSLDPR-ZDUSSCGKSA-N 249.398 3.840 30 20 BHED C[C@H](NC[C@@H](C)C(C)(C)C)c1cccc(C#N)c1 162670839 AXRHDVQFOLWYPG-OLZOCXBDSA-N 244.382 3.891 30 20 BHED C=CCCCC(=O)N(CC)c1ccc(F)cc1 177516381 FXXMWFOIBWMIFY-UHFFFAOYSA-N 235.302 3.535 30 20 BHED CC[C@H](NCCCC#N)C(C)(C)c1ccccc1 180005253 MYYNFLIHMYTRSO-HNNXBMFYSA-N 244.382 3.636 30 20 BHED N#C[C@@H]1CCC[C@H](NCc2cccc(Cl)c2)C1 185759224 SONUTDRIZHXVRA-RISCZKNCSA-N 248.757 3.512 30 20 BHED Cc1ccc(S[C@@H](C)CCC#N)cc1 188210891 PYEGFGVDUNWDLQ-NSHDSACASA-N 205.326 3.779 30 20 BHED CCCCCCCCSc1cccc[n+]1[O-] 193217228 DXXUBSBUVDDPFC-UHFFFAOYSA-N 239.384 3.773 30 20 BHED CCCCCCCCC[S@@](=O)CC 196770375 XFAMTNWWXPLXGK-ZDUSSCGKSA-N 204.379 3.506 30 20 BHED CCC1CCN(CCCCC(C)(C)C#N)CC1 232916082 JQUMZNXHRRPXDJ-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C=C(C)CCN(C)[C@H](C)c1sc(C)nc1C 274765510 FVDKFFCLPCZIFD-LLVKDONJSA-N 238.400 3.719 30 20 BHED CCCC[C@@H](C)N(C)Cc1cccc(C#N)c1F 311192550 FBWNXLYIDJVNBV-GFCCVEGCSA-N 248.345 3.708 30 20 BHED CCCC1CCC(CN(C)[C@H](C)CC#N)CC1 342747243 VTYGLXCQSSDQHX-WLYUNCDWSA-N 236.403 3.827 30 20 BHED C=CCCC1(C(=O)N(C)C2CCC(C)CC2)CC1 361481350 LWLYZCFAPGCBLS-UHFFFAOYSA-N 249.398 3.770 30 20 BHED CC[C@H](NCc1cc(C#N)cs1)[C@H]1CC1(C)C 418109250 TVSKGERMWWLDJY-OLZOCXBDSA-N 248.395 3.534 30 20 BHED C=CCOCCS[C@@H](C)c1cccc(F)c1 419395502 UQLVCJGXYWBLHT-NSHDSACASA-N 240.343 3.823 30 20 BHED C=CCc1cccc(F)c1OCC1(C#N)CCC1 424097451 FFRQXSSLTHCKRI-UHFFFAOYSA-N 245.297 3.627 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cc(C)ccc1F 424564886 PRYGBFJKNFOGBZ-UHFFFAOYSA-N 235.302 3.675 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccc2c(c1)COC2 453314311 YHZKYXQAFUXCCB-LBPRGKRZSA-N 245.366 3.580 30 20 BHED CCC[C@H](C)CC(=O)Nc1cccc(CC#N)c1 456728412 JGRNRTWDQXLQDB-LBPRGKRZSA-N 244.338 3.517 30 20 BHED C=CCC(C)(C)CNC(=O)[C@H]1CCC[C@H](C)C1 489711837 GQDKZCXXCIXXAG-STQMWFEESA-N 237.387 3.531 30 20 BHED C=CCNC(=O)[C@@H](CCC)CC1CCCCC1 499267300 JOUKSLXCEVHGPD-AWEZNQCLSA-N 237.387 3.675 30 20 BHED CC(C)[C@@H]1CCC[C@H](Nc2cccc(C#N)n2)C1 524582197 DUKBHTONLHORAB-OLZOCXBDSA-N 243.354 3.580 30 20 BHED C=CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)CC 530885464 NPCKEOAUIWVUCI-UONOGXRCSA-N 237.387 3.770 30 20 BHED C=CCC[C@H](CC)N[C@H](C)c1ccc(C#N)cc1 531695424 TUOQJKMMCJKCND-CJNGLKHVSA-N 242.366 3.954 30 20 BHED C=C(CC)COc1ccc(Cl)cc1[N+](=O)[O-] 536889771 LIRKTJFSZDJXKB-UHFFFAOYSA-N 241.674 3.593 30 20 BHED C=CC[C@H](C)[C@@H](C)NC1(c2ccccc2)CC1 537421983 DKNQDBXCXGMHQE-UONOGXRCSA-N 229.367 3.866 30 20 BHED CC[C@H](NCc1ccc(F)c(C#N)c1)C(C)(C)C 538390126 OBHWTCCKUXSHEW-AWEZNQCLSA-N 248.345 3.612 30 20 BHED C[C@@H]1CCCC[C@H]1CN1CCC(CCC#N)CC1 569123413 LNLAOYGURZQIRS-ZBFHGGJFSA-N 248.414 3.828 30 20 BHED C=C(CC)CN[C@H](C)c1cc([N+](=O)[O-])ccc1C 579676216 XVPKYNZYRBQDEW-GFCCVEGCSA-N 248.326 3.520 30 20 BHED FC(F)(F)c1cccc(C#Cc2ccccc2)n1 585145149 ZNXXIPFMUBFTCP-UHFFFAOYSA-N 247.219 3.500 30 20 BHED CC[C@@H](NCC1(C#N)CC1)c1cc(C)ccc1C 599640620 LFBKEOSGCJPWDZ-OAHLLOKOSA-N 242.366 3.648 30 20 BHED C[C@@H](CCC#N)CNc1ccc(Cl)cc1 602494558 ZYWGCLOOFRMZOT-JTQLQIEISA-N 222.719 3.692 30 20 BHED CC[C@@H](CNC[C@@H](C)CCC#N)c1ccccc1 602503639 NOLJWWYGUDYSBU-GJZGRUSLSA-N 244.382 3.710 30 20 BHED C=CCC1(NC(=O)[C@H](C)[C@H](C)CC)CCCC1 619111236 RSDRAFZUAQXQBC-CHWSQXEVSA-N 237.387 3.674 30 20 BHED C=CCN(Cc1ccsc1)C(C)(C)C 661136260 QHTMEJLSEXALOZ-UHFFFAOYSA-N 209.358 3.535 30 20 BHED CCC#C[C@@H](C)Sc1ccc(NC(C)=O)cc1 677131772 SEEGOEDOINEEIE-LLVKDONJSA-N 247.363 3.539 30 20 BHED C=CCCC(=O)Oc1ccc(Cl)c(Cl)c1 726495948 INJOFGDDQNPDHD-UHFFFAOYSA-N 245.105 3.865 30 20 BHED C[C@@H]1CCCC1=NNc1ccccc1Cl 729140494 FWFOTUGQOQJHPM-SECBINFHSA-N 222.719 3.928 30 20 BHED C=CCCCOC(=O)c1ccccc1OC(C)C 735534570 UUCNLHRNQFLVJI-UHFFFAOYSA-N 248.322 3.597 30 20 BHED CCCNN=C1CCC(C)(c2ccccc2)CC1 766695777 MXFGPALPPIVCPB-UHFFFAOYSA-N 244.382 3.874 30 20 BHED CC(CC1CC1)=NNc1c(C)cccc1F 769827771 JRNUSFZHHJVQPC-UHFFFAOYSA-N 220.291 3.722 30 20 BHED Fc1ccc(/C=C/C=NOC2CCCC2)cc1 774607618 GNKFDAFFDIHKCV-KJFCXQQNSA-N 233.286 3.784 30 20 BHED C=C(C)CN(C)C(=O)C(C)(C)C1CCCCC1 778121015 FSHTXSMEDKUNAC-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=C(C)CN(Cc1ccccc1)C(=O)C=C(C)C 791865835 OIKGMTIVNUUIRL-UHFFFAOYSA-N 243.350 3.558 30 20 BHED C=CCCCCCCNC(=O)[C@@H]1CC=CCC1 805218135 SRPCXDMLGRMAAX-CQSZACIVSA-N 235.371 3.595 30 20 BHED Cc1cccc(C(C)C)c1NN=Cc1ccc[nH]1 812233306 VODGOCCGWZPAMH-UHFFFAOYSA-N 241.338 3.893 30 20 BHED COc1cccc(O)c1/C=N\C1CCCCCC1 812390399 FHRMTUYFPRHVIR-WJDWOHSUSA-N 247.338 3.543 30 20 BHED CC[C@H](CC#N)OC(=O)c1ccccc1C(C)C 850979087 HTQRSZCDEIUVFG-GFCCVEGCSA-N 245.322 3.659 30 20 BHED C=CCCC(C)(C)NC(=O)/C=C\c1ccsc1 856375480 YZICSIOYJFRBDM-SREVYHEPSA-N 249.379 3.622 30 20 BHED C=C1CCC(C(=O)N(CCCC)C2CC2)CC1 888117923 DXRDTMXJDJBAGW-UHFFFAOYSA-N 235.371 3.524 30 20 BHED CC(C)(C)CCSCc1cc(C#N)ccn1 901784065 RBOHHOPLELQQPA-UHFFFAOYSA-N 234.368 3.623 30 20 BHED CC(=NNc1ccccc1)c1cc(C)oc1C 916247357 RQDJXLRUKPFZQN-UHFFFAOYSA-N 228.295 3.733 30 20 BHED N#Cc1ccc(NCCCc2ccccc2)cc1 20053202 SAJVDWDVNVJPQP-UHFFFAOYSA-N 236.318 3.603 30 20 BHED C=CCCCN[C@@H](c1ccc(OC)cc1)C1CC1 117871812 GIICXPXCEYGNSP-MRXNPFEDSA-N 245.366 3.702 30 20 BHED CC[C@H]1CCCC[C@@H]1N(C)CCCCC#N 120790035 NBQFJVMLRGJANX-KBPBESRZSA-N 222.376 3.581 30 20 BHED C=CCC(CC=C)C(=O)N(C)C1CCCCC1 121863984 VHIZMRQRHGBHPZ-UHFFFAOYSA-N 235.371 3.546 30 20 BHED C=C(Cl)CNCc1csc2ccccc12 124488689 MOGZQRDAIDEKJX-UHFFFAOYSA-N 237.755 3.743 30 20 BHED C=C(Cl)CN[C@@H]1CCCC[C@@H]1C(C)C 126069325 BJVOKOFSRMDBNH-VXGBXAGGSA-N 215.768 3.543 30 20 BHED CCCCCCCn1ccc2occc2c1=O 133559262 HXXSSLIWEWXQAX-UHFFFAOYSA-N 233.311 3.565 30 20 BHED C=CCC[C@H](NC(=O)CC1CC1)c1ccccc1 133785768 QQTJOAMPHNZYQC-HNNXBMFYSA-N 243.350 3.610 30 20 BHED Cc1c(C#N)cccc1NCc1ccsc1 134643861 WAVSYWKLOLNYHD-UHFFFAOYSA-N 228.320 3.540 30 20 BHED CCC(CC)(CC)NCc1ccc(C#N)s1 135501853 HCKMZTVHTKZYPZ-UHFFFAOYSA-N 236.384 3.678 30 20 BHED C#C[C@H](CC)NC1CC(c2cccc(Cl)c2)C1 229896153 RIOCFJRIHGCBDF-HNFVBEJKSA-N 247.769 3.587 30 20 BHED Fc1cc(Cl)ccc1CON=C1CCC1 275546096 UDODNKFGMSNKRY-UHFFFAOYSA-N 227.666 3.536 30 20 BHED C[C@@H](CCC#N)N[C@H](C)C(C)(C)c1ccccc1 276310033 LZWAENOJAKCHGF-UONOGXRCSA-N 244.382 3.635 30 20 BHED CC1=CC[C@@H](Nc2ccc(CC#N)cc2)CC1 284044537 LYEWEBCLFBLZAY-CQSZACIVSA-N 226.323 3.663 30 20 BHED C=CCNc1ccccc1SC(F)(F)F 308857020 RUOBIEOAKRKIOT-UHFFFAOYSA-N 233.258 3.896 30 20 BHED C=CCC[C@H](CC)NC[C@@H]1CCCCS1 309175320 MLYDGMDRQXQSNS-STQMWFEESA-N 227.417 3.607 30 20 BHED C=CCC(C)(C)CNCc1cc(F)ccc1F 310569796 NOVWFURKYAEGRO-UHFFFAOYSA-N 239.309 3.657 30 20 BHED CC[C@@H]1CCCC[C@@H]1C(O)=Nc1ccnnc1C 330137514 UXTSNTQZHDHSJJ-NEPJUHHUSA-N 247.342 3.589 30 20 BHED CC[C@H]1CCC[C@@H]1NC1CCC(C)(C#N)CC1 336214448 SPVKYOMLOWPGLU-LQULJDIASA-N 234.387 3.627 30 20 BHED CC1=CCC[C@@H](C)[C@@H]1CNCC(C)(C)CCC#N 342305544 VVMWYWOCBUUDPQ-HUUCEWRRSA-N 248.414 3.898 30 20 BHED C=C(CC)CSC[C@H]1CCC(C)(C)O1 358653940 HEMMRWPPLKSWLD-LLVKDONJSA-N 214.374 3.643 30 20 BHED CCCC[C@@H]1CCC[C@H]1N[C@H](CC)CC#N 381377230 KCTWQNZHEMMOLN-MGPQQGTHSA-N 222.376 3.627 30 20 BHED C#CCCNc1cc(Cl)ccc1OCCC 381490344 XHIVTAGASQFWMX-UHFFFAOYSA-N 237.730 3.564 30 20 BHED C=CC[C@@H](CC)Nc1cc(C(F)(F)F)ccn1 393810520 UPPYTJIZLDUKDP-SNVBAGLBSA-N 244.260 3.867 30 20 BHED CC[C@@H](NCc1cc(C#N)cs1)[C@@H]1CC1(C)C 418109251 TVSKGERMWWLDJY-QWHCGFSZSA-N 248.395 3.534 30 20 BHED Cc1ccc(OCc2cccc(F)c2C#N)cc1 427512144 RJJZOVQTMDFTOG-UHFFFAOYSA-N 241.265 3.585 30 20 BHED Cc1ccc(Cl)c(OCC2(C#N)CCC2)c1 450576598 CMLUDOYNZGPSBC-UHFFFAOYSA-N 235.714 3.721 30 20 BHED C=C(C)CCNC(=O)Nc1ccccc1C(C)C 454174660 WCFGFYWFKKVJIN-UHFFFAOYSA-N 246.354 3.898 30 20 BHED N#Cc1cccc(N[C@@H]2CCC[C@@H]2C2CC2)c1 468407761 JPBQTZPYYFTLEZ-HUUCEWRRSA-N 226.323 3.549 30 20 BHED CCC(CC)SCc1ccc(C#N)cc1 520522909 KYXUOPZOQUWXCK-UHFFFAOYSA-N 219.353 3.980 30 20 BHED C=CCCc1csc(-c2cccc(OC)c2)n1 535661389 IEQSNIVUSGVMCO-UHFFFAOYSA-N 245.347 3.937 30 20 BHED C=C(CC)CN(C)[C@@H](C)c1ccccc1 536881205 IXXCETYWCYEMCA-ZDUSSCGKSA-N 203.329 3.646 30 20 BHED N#CCc1cccc(NCCCC2CCC2)c1 594705124 UILJSVXDQGLLBL-UHFFFAOYSA-N 228.339 3.745 30 20 BHED CCCc1ccccc1OCC1(C#N)CCC1 600679358 IIRPTNLAMJQPRI-UHFFFAOYSA-N 229.323 3.712 30 20 BHED CCCCC(C)=NNc1ncnc2sccc12 725818231 GUTBRNZDNXVBGB-UHFFFAOYSA-N 248.355 3.669 30 20 BHED CC[C@@H](C)C(C)=NNCCCc1ccccc1 729148156 PWJMZWFONGTMPG-CYBMUJFWSA-N 232.371 3.631 30 20 BHED C=CCOC(=O)C(C)(C)CCCc1ccccc1 733027618 JHZOMRVKMUTNNT-UHFFFAOYSA-N 246.350 3.765 30 20 BHED C=CCCOC(=O)[C@@H](c1ccccc1)C(C)C 744049809 YOXFUTRMFYONTO-CQSZACIVSA-N 232.323 3.546 30 20 BHED C=CCCCC(=O)OCCCCC(F)(F)F 751732081 BPSSCWBBMCIJTA-UHFFFAOYSA-N 238.249 3.619 30 20 BHED Clc1ccc2c(NN=CC3CC3)ccnc2c1 755471828 OIIOZMUNXFXBSU-UHFFFAOYSA-N 245.713 3.696 30 20 BHED CCc1ccccc1NN=Cc1ccccc1C#N 755643110 NQKIBNICIAMIRC-UHFFFAOYSA-N 249.317 3.567 30 20 BHED C#CCCNc1ccccc1COC(C)(C)CC 758129124 ILWCZQAIFCJBKQ-UHFFFAOYSA-N 245.366 3.827 30 20 BHED Cc1cc(C)c(NN=C[C@H]2C[C@H]2C)c(C)c1 758379894 ZQCSLRYCJBWJLR-ZWNOBZJWSA-N 216.328 3.666 30 20 BHED CC[C@@H]1CCCC1=NNCC1(C)CCCC1 793081214 IMRWOYGHQSNQAR-GFCCVEGCSA-N 222.376 3.722 30 20 BHED C=CCON=C1CCC(c2ccc(O)cc2)CC1 835015502 QXJOETMVTCXDBW-UHFFFAOYSA-N 245.322 3.608 30 20 BHED CCc1ccccc1NN=C(C)CC(C)(C)C#N 853289946 QKGXHXQUNIICJK-UHFFFAOYSA-N 243.354 3.977 30 20 BHED C=CCN(C(=O)c1ccccc1C(C)C)C1CC1 857603152 TUVHIHGTALDXRD-UHFFFAOYSA-N 243.350 3.601 30 20 BHED CC(C)(C#N)CN[C@@H](c1ccccc1)C1CCC1 903101780 LYUGVDRMJCIQOR-HNNXBMFYSA-N 242.366 3.667 30 20 BHED C=C(Cl)CSCCOc1cccc(C)c1 913396014 DCRDDPPQQAENKC-UHFFFAOYSA-N 242.771 3.860 30 20 BHED N#Cc1ccc(SC2CCSCC2)cc1 916730946 QEURPDJMDOQKQQ-UHFFFAOYSA-N 235.377 3.546 30 20 BHED C=C(C)CCC(=O)Nc1cccc(CSC)c1 1262733685 AFXAZVMEXJAVJI-UHFFFAOYSA-N 249.379 3.844 30 20 BHED CC[C@H]1CCCC[C@H]1CNc1ncccc1C#N 1307128851 GOWQYFAXMBMMTK-JSGCOSHPSA-N 243.354 3.582 30 20 BHED CC(C)(C)SCCSCC1(CC#N)CC1 1327218349 PUNZZHXMPJBYDR-UHFFFAOYSA-N 243.441 3.945 30 20 BHED C[C@@H](CCC#N)CN1CCC[C@@H](C(C)(C)C)C1 1560785951 OXPXBIWDIXIDDT-UONOGXRCSA-N 236.403 3.684 30 20 BHED C=C(Cl)CN(CC)c1ccc(Cl)cc1 1648407884 KEZVGQINJUFUGX-UHFFFAOYSA-N 230.138 3.919 30 20 BHED C[C@@H](Nc1cccc(OCCCC#N)c1)C1CC1 37777344 VJJDETYBIPEFTJ-GFCCVEGCSA-N 244.338 3.580 30 20 BHED C[C@H](c1ccc(Cl)cc1Cl)N(C)CC#N 46512327 SWZGIHXOAWQYBQ-MRVPVSSYSA-N 243.137 3.510 30 20 BHED C=CCN(Cc1ccccc1)Cc1cccs1 60942697 ZNYFVINLFKJIIH-UHFFFAOYSA-N 243.375 3.936 30 20 BHED C[C@H](C#N)S[C@H]1CCCc2ccccc21 68224549 CTUNDZQZQPRMRP-MFKMUULPSA-N 217.337 3.709 30 20 BHED C[C@H]1CCC[C@H](NCc2ccc(C#N)cc2)CC1 86887790 LAXDFBPMXQHUFH-BBRMVZONSA-N 242.366 3.617 30 20 BHED Cc1ccc([C@@H](C)NCC(C)(C)C#N)cc1C 122228604 QGULXPXGVMBCOJ-CYBMUJFWSA-N 230.355 3.504 30 20 BHED Cc1cc([C@@H](C)NCC(C)(C)C#N)c(C)s1 129184479 ALZHEYNUGULNSU-SNVBAGLBSA-N 236.384 3.565 30 20 BHED C=CCCNC(=O)[C@H](c1ccccc1)[C@H](C)CC 162260378 WOJKODZOVJCJKQ-HIFRSBDPSA-N 245.366 3.509 30 20 BHED O=C(/C=C/c1cccnc1Cl)c1cccs1 171536456 OVABQWNAWCPHLF-AATRIKPKSA-N 249.722 3.693 30 20 BHED c1ccc2c(NN=C3CCCCC3)ccnc2c1 196545852 VINLEWOQUAGOKP-UHFFFAOYSA-N 239.322 3.967 30 20 BHED Cc1ccc(C#N)c(N[C@H]2CCC[C@@H](C)CC2)n1 227539233 YCVNDPSTUSTNAE-RISCZKNCSA-N 243.354 3.642 30 20 BHED C#CCCSCc1ccccc1Cl 230306532 NJXCSDNEISXVEV-UHFFFAOYSA-N 210.729 3.597 30 20 BHED CCC[C@H](C)N(C)CCCCC(C)(C)C#N 233335259 LJIJLIWVWYAXFO-ZDUSSCGKSA-N 224.392 3.827 30 20 BHED Cc1cc(C)cc(Nc2c(C#N)cccc2C#N)c1 302422642 JFUTUVRPAMUYQD-UHFFFAOYSA-N 247.301 3.790 30 20 BHED C#C[C@@H](N[C@H](CC)c1ccc(F)cc1)C(C)C 305966488 PGHULCMYXOZJPB-HUUCEWRRSA-N 233.330 3.524 30 20 BHED C=CC[C@H](CC)N[C@H](C)Cc1cccs1 309094835 DLIUQAOCYDTNRB-NEPJUHHUSA-N 223.385 3.623 30 20 BHED N#CCc1cccc(N[C@H]2CCCC23CCC3)c1 313412740 UBEGHKOFXNBTQJ-HNNXBMFYSA-N 240.350 3.887 30 20 BHED CC(C)[C@@H](c1ccccc1)N(C)CC1(C#N)CC1 343316496 SLCDPHINGXQCJB-HNNXBMFYSA-N 242.366 3.619 30 20 BHED N#CC1(CSC/C=C/c2ccccc2)CC1 344480024 QXSPGXOAAIJDTE-QPJJXVBHSA-N 229.348 3.737 30 20 BHED C=CCCCCNc1ccnc(C(F)(F)F)c1 383854115 XQRGTSXTQRFDTR-UHFFFAOYSA-N 244.260 3.869 30 20 BHED Cc1cc(CN[C@@H](C)CCC2CC2)ccc1C#N 443987632 KIWSUWFKWUCHLP-ZDUSSCGKSA-N 242.366 3.535 30 20 BHED C=CCCCN[C@H]1c2cc(F)ccc2C[C@@H]1C 448023647 UOMHJMOLAYJSNE-XHDPSFHLSA-N 233.330 3.615 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1CC(C)C 450419935 BBLPRXYWMBGINP-MGPQQGTHSA-N 237.387 3.530 30 20 BHED C=CCC(C)(C)C(=O)NC[C@H]1CCC[C@@H]1CC 452535060 WDPXAJIMFMZBBN-QWHCGFSZSA-N 237.387 3.531 30 20 BHED C=CCCCC[C@H](C)NCC(C)(C)CC#N 459728128 HWCOYIINUDSSEY-ZDUSSCGKSA-N 222.376 3.651 30 20 BHED CC#CCCCC(=O)N(CCCC)CCCC 464550292 NGRIWBSVOAXKSD-UHFFFAOYSA-N 237.387 3.609 30 20 BHED C=C(C)CN1C[C@H](C)Oc2ccc(Cl)cc21 464772827 GUJJOUGAASWKHC-JTQLQIEISA-N 237.730 3.503 30 20 BHED C=C[C@H](C)NC(=O)Nc1ccc(CCCC)cc1 465162043 AEIGYQAPIQUDJC-LBPRGKRZSA-N 246.354 3.725 30 20 BHED CC(C)Cc1ccc([C@@H](NCC#N)C(C)C)cc1 477684185 WOJBVDHNSDEZPI-INIZCTEOSA-N 244.382 3.695 30 20 BHED C=CCN(CC=C)C/C(C)=C/c1ccccc1 505852958 DFEIMGGWDJRYMT-FYWRMAATSA-N 227.351 3.764 30 20 BHED C=C(C)CN(CC)C(=O)C(CCC)CCC 509668717 RIFQVXGQWYKFPO-UHFFFAOYSA-N 225.376 3.627 30 20 BHED C=CCCCN(C)Cc1c(C)cccc1C 523442193 PKWWTYOGINIFRU-UHFFFAOYSA-N 217.356 3.701 30 20 BHED Cc1cc(C)c(CN(CCC#N)C(C)C)cc1C 536638724 AEFQNDKNKXDYIZ-UHFFFAOYSA-N 244.382 3.736 30 20 BHED C=CC1CCN(Cc2ccc(SC)cc2)CC1 536671892 SWQMOBOGNAVVTJ-UHFFFAOYSA-N 247.407 3.807 30 20 BHED CC(C)=CCCN(CCC#N)CCC(C)C 595349157 ZODNEAGRWLPKLY-UHFFFAOYSA-N 222.376 3.604 30 20 BHED N#CCCCSC[C@@H]1CCCCC1(F)F 596391626 DTXSQIXVTOFBEY-JTQLQIEISA-N 233.327 3.849 30 20 BHED N#CCC1(CN2CCC[C@H]2c2ccsc2)CC1 602763149 NJEYQSFEKRZCGM-ZDUSSCGKSA-N 246.379 3.579 30 20 BHED C=C(Cl)CNc1ccc(C2CC2)cc1 690102813 QVQOOMFQMPNENA-UHFFFAOYSA-N 207.704 3.728 30 20 BHED C=C(Cl)CN1CCC(c2ccccc2C)CC1 730378728 VCAMVHPZROLUNP-UHFFFAOYSA-N 249.785 3.927 30 20 BHED CC(=NNc1ccc(F)cc1)c1ccsc1 749100072 ZNIDIMPPZDKASB-UHFFFAOYSA-N 234.299 3.723 30 20 BHED CCCCCCCCC(=O)N1CC[C@H](C)[C@H]1C 752390874 RXIJHZSYCFGXBQ-UONOGXRCSA-N 239.403 3.994 30 20 BHED CCCC=NNc1ccc(C(F)(F)F)cc1 755802644 BEGQHKRZCSAGEA-UHFFFAOYSA-N 230.233 3.903 30 20 BHED CC(C)CC(CC(C)C)=NO[C@@H]1CCCCO1 755824777 SCNINDZBHKOYNZ-CQSZACIVSA-N 241.375 3.978 30 20 BHED CC(CC1CC1)=NN[C@H](C)c1ccccc1 756835846 VUAWVUNRCDNFLG-GFCCVEGCSA-N 216.328 3.513 30 20 BHED CCCCCCCc1nc(C(C)C)no1 761341972 NDWLWYPDIIPHRV-UHFFFAOYSA-N 210.321 3.706 30 20 BHED CC[C@@H]1C[C@@H](C)CCC1=NO[C@@H]1CCCCO1 769583069 BLGHXYQUWAOROR-OUCADQQQSA-N 239.359 3.732 30 20 BHED CCCCCC(=O)O[C@@H](C#N)C1CCCCC1 776359238 DLMNWIQJVGOSAG-ZDUSSCGKSA-N 237.343 3.582 30 20 BHED COc1cccc(NN=C2CCC23CCCC3)c1 788709724 VTOZCQSYRJKEFI-UHFFFAOYSA-N 244.338 3.817 30 20 BHED CC[C@H]1CCCC(=NN[C@@H](C)C(C)(C)C)C1 793115949 USFPIBAYUGRPNH-RYUDHWBXSA-N 224.392 3.967 30 20 BHED CCC(C[C@H](C)CC)=NNCCC(F)(F)F 794552632 QCGNSSJFIAYAGX-SECBINFHSA-N 238.297 3.731 30 20 BHED FCC[C@H]1CCCC1=NNc1ccccc1F 794886987 CPQYGQYLCMZLPI-SNVBAGLBSA-N 238.281 3.753 30 20 BHED CCc1cccc(C)c1NN=C1CCCC1 799491176 DFOLHLUZEPVPNR-UHFFFAOYSA-N 216.328 3.899 30 20 BHED Fc1ccc(/C=C/C=NOC/C=C\Cl)cc1 811671675 JPYXNQQBUJWWIA-XOQMEUFFSA-N 239.677 3.594 30 20 BHED CC(C)(C)[C@@H]1CC(=NOC2CCCC2)CS1 814895025 SMMWFAUNPGYOMK-LBPRGKRZSA-N 241.400 3.853 30 20 BHED C/C(=C/Cl)CSCC1(C#N)CCC1 829539108 MAWPZSZXTBMMEH-UITAMQMPSA-N 215.749 3.556 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@](C)(F)CCCC 831733350 SDACKELFWYLBHB-JSGCOSHPSA-N 243.366 3.766 30 20 BHED CCCC(=NOCC(F)(F)F)[C@H]1CC1(C)C 841630035 CQFSGHXTZVQVBZ-MRVPVSSYSA-N 237.265 3.768 30 20 BHED C=C(C)CCC(=O)N1CCC[C@@H]1c1ccccc1 1262674867 OFZRGKMUEXBHNG-OAHLLOKOSA-N 243.350 3.706 30 20 BHED CC(C)C[C@H](C)CN1CCCC(C)(C)[C@@H]1C#N 1460060729 RIAJHZMGIZPDTD-KBPBESRZSA-N 236.403 3.683 30 20 BHED C=CCN(C)[C@@H](C)c1cc2ccccc2o1 44089808 CFBVMTDIFDQUCY-NSHDSACASA-N 215.296 3.612 30 20 BHED CC(C)(C)CCNc1ccc(CC#N)cc1 51601216 LUNBBPHICCHLKA-UHFFFAOYSA-N 216.328 3.601 30 20 BHED C[C@H](C#N)CN[C@@H]1CCCC[C@@H]1C1CCCCC1 54181127 VWTNMBFUVFIYHP-FVQBIDKESA-N 248.414 3.875 30 20 BHED N#CCCCSCc1ccc(Cl)cc1 58263036 LMASYVYJPAMYFT-UHFFFAOYSA-N 225.744 3.877 30 20 BHED C=C(C)CN(CCC)CC1CCCCC1 60599038 HSYDGCNYVYONGS-UHFFFAOYSA-N 209.377 3.855 30 20 BHED CC(C)(C)[C@@H]1CCCC[C@@H]1NCCCCC#N 108367294 ASUCJPQVSSRFDM-KGLIPLIRSA-N 236.403 3.875 30 20 BHED C=C[C@@H](C)N[C@@H]1CCSc2ccc(F)cc21 122947494 XWVUFXWZLMZFOW-BXKDBHETSA-N 237.343 3.527 30 20 BHED O=C(/C=C/c1cncs1)c1ccc(Cl)cc1 129877729 IWNGXKZULBLISK-AATRIKPKSA-N 249.722 3.693 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(C)s1 168061572 JKEZCQUOIGYDEU-LLVKDONJSA-N 209.358 3.673 30 20 BHED C=CCCCC(=O)N(C1CC1)[C@H](C)c1ccco1 177756582 LIJMWDIWJBGEGI-GFCCVEGCSA-N 247.338 3.688 30 20 BHED C=CC[C@@H](C)N[C@H](CC(C)C)c1ccccn1 180951714 RBUBNUGOKIPIGP-UKRRQHHQSA-N 232.371 3.723 30 20 BHED C=C[C@](C)(CC)C(=O)N1CCCC(C)(C)CC1 188452565 GYABUXSJDUVYHH-OAHLLOKOSA-N 237.387 3.627 30 20 BHED CCC(C)(C)CNc1snc(Cl)c1C#N 192224587 ZXONLWIMBJYJRC-UHFFFAOYSA-N 243.763 3.516 30 20 BHED C=C(C)CCN[C@H](c1ccccc1)C(F)F 292561947 BCTFSJBQLYZHBM-GFCCVEGCSA-N 225.282 3.549 30 20 BHED C[C@@H](CCC#N)Sc1ccc(F)cc1F 298542109 XZZKANGIZXLRJQ-QMMMGPOBSA-N 227.279 3.749 30 20 BHED C[C@H]1CCC[C@H](COc2cccc(F)c2C#N)C1 305990948 SVTCIGCBIBIOIK-RYUDHWBXSA-N 247.313 3.902 30 20 BHED C=CC[C@@H](CC)Nc1ncc(Cl)s1 308219025 KJMHLIHWGCWDDK-SSDOTTSWSA-N 216.737 3.563 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H](C)CCC1CC1 308818858 BIGVGKSNEMLFDQ-XQQFMLRXSA-N 209.377 3.755 30 20 BHED C=CCCCNc1cccc(OCCC)c1 309416543 CRWJSPGISDHBJX-UHFFFAOYSA-N 219.328 3.854 30 20 BHED C=CCN(Cc1cccc(C(F)F)c1)C1CC1 348056159 NUEMOINXERUCSY-UHFFFAOYSA-N 237.293 3.775 30 20 BHED COc1cccc(SCC2(C#N)CCCC2)c1 405156501 KNBHRQZAHOLJAT-UHFFFAOYSA-N 247.363 3.871 30 20 BHED CCN(CC(C)C)[C@@H](C)c1ccc(C#N)cc1 409444852 SALQOIFBYQDFJY-ZDUSSCGKSA-N 230.355 3.597 30 20 BHED Cc1cccc(CCCSCCC#N)c1 413016115 VCYYISSUHNKJLK-UHFFFAOYSA-N 219.353 3.575 30 20 BHED N#CC1(COc2cccc3ccccc23)CCC1 418783477 FMFUMIQSXVXORV-UHFFFAOYSA-N 237.302 3.912 30 20 BHED C=C(C)[C@@H]1OCC[C@H]1CNC(CCC)CCC 436302411 UKRCFBBCKIMMLB-ZFWWWQNUSA-N 239.403 3.526 30 20 BHED C=CC(C)(C)CN[C@H](C)[C@@H](OC)c1ccccc1 453312585 VINGLEHMNWXIKW-UKRRQHHQSA-N 247.382 3.564 30 20 BHED C=C[C@@H]1CCCCN1c1nc2cc(C)ccc2o1 486486292 IUVGJCJJQNXVHZ-GFCCVEGCSA-N 242.322 3.681 30 20 BHED N#CCCNc1ccc2oc3ccccc3c2c1 583646858 QFIWONLLWNRGFJ-UHFFFAOYSA-N 236.274 3.912 30 20 BHED Cc1oncc1-c1ccc([C@@H](C#N)C(C)C)cc1 592989359 SUKKLLYSWVOCMN-AWEZNQCLSA-N 240.306 3.913 30 20 BHED C=C1CCN(C(=O)CCCCCC(C)C)CC1 747908066 UJDYKZOHSVORAG-UHFFFAOYSA-N 237.387 3.772 30 20 BHED CCCCCCCCNC(=O)C1CC(F)(F)C1 754850476 NSYBTTUXFIQFLN-UHFFFAOYSA-N 247.329 3.508 30 20 BHED CC1(C)CCC/C(=C\c2ccccc2F)C1=O 757534527 LINICDKUUXTVHM-ZRDIBKRKSA-N 232.298 3.988 30 20 BHED C#CCCN[C@@H](c1ccccc1C)C(C)(C)C 775462756 DQNUFHPCXULCAS-HNNXBMFYSA-N 229.367 3.695 30 20 BHED C=CCCC[C@@H](C)NC(=O)C=C(C1CC1)C1CC1 775922967 HJJHDHMQBCASEW-GFCCVEGCSA-N 247.382 3.594 30 20 BHED CCC[C@H](C(=O)OCCC(C)(C)C#N)C(C)C 776395430 GOLDKOVWCGZVGG-LBPRGKRZSA-N 239.359 3.542 30 20 BHED C[C@@H]1CCCC[C@H]1C=NOC1CCCC1 783860055 VILSXUOVXGTDBZ-NEPJUHHUSA-N 209.333 3.758 30 20 BHED CC(=NN[C@H](C)C(C)(C)C)C1CCCC1 793112068 OPXSWHVMZMZHKM-LLVKDONJSA-N 210.365 3.577 30 20 BHED CC[C@@H](C)CON=C1CC[C@H]1c1ccccc1 793146871 VYKOKPLJSKCKHN-OCCSQVGLSA-N 231.339 3.983 30 20 BHED Cc1ccc(NN=C2CS[C@H](C(C)C)C2)cc1 814686783 AILDKUZJAINGIC-AWEZNQCLSA-N 248.395 3.924 30 20 BHED C[C@@H]1CCC(=NNc2cc(F)c(F)cc2F)C1 814849742 IEXXYIHPLQNMMZ-SSDOTTSWSA-N 242.244 3.692 30 20 BHED C=CCON=C1CCC[C@@H]1c1ccccc1 835016329 UFTIVYWANZTSJT-CYBMUJFWSA-N 215.296 3.513 30 20 BHED CON=C1CC[C@@H](c2cccc(Cl)c2)C1 841619651 NZNNENJQXNBNDK-SNVBAGLBSA-N 223.703 3.610 30 20 BHED CC(C)=CCC[C@@H](C)CC(=O)O[C@H](C#N)C1CC1 842727818 VSFZXFCMBNRFPN-TZMCWYRMSA-N 249.354 3.604 30 20 BHED Cc1ccc([C@H](C)C=NOCC(F)(F)F)cc1 863103343 VXNUDNAVNMJHQS-SNVBAGLBSA-N 245.244 3.663 30 20 BHED C=C[C@@](C)(CC)c1nnc(-c2ccccc2F)o1 1326944396 SXRRBQQHPBASRR-AWEZNQCLSA-N 246.285 3.729 30 20 BHED C=C(CC)C(=O)Nc1ccccc1CCC 1527442685 DHPTZQQUUMTMAG-UHFFFAOYSA-N 217.312 3.544 30 20 BHED C=CCC[C@H](CCC)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 1561013253 OJBAUUAZFMFBJP-QKGCVVFFSA-N 221.388 3.755 30 20 BHED C[C@H]1CC(C)(C)CC[C@@H]1Nc1cccc(C#N)n1 1642370804 VJCYTGDNMUULMU-AAEUAGOBSA-N 243.354 3.580 30 20 BHED C[C@@H]1CC(C)(C)CC[C@H]1Nc1cccc(C#N)n1 1642370805 VJCYTGDNMUULMU-DGCLKSJQSA-N 243.354 3.580 30 20 BHED N#Cc1cc([N+](=O)[O-])ccc1SC1CCCC1 6399944 DBKBCQZVMIITKF-UHFFFAOYSA-N 248.307 3.501 30 20 BHED N#C[C@@H](OC(=O)C1CCCCC1)C1CCCCC1 84576204 QEASWCGLWYXZID-CQSZACIVSA-N 249.354 3.582 30 20 BHED CCCOc1ccccc1OCCC(C)(C)C#N 87595969 YHCTUMXFYILGLE-UHFFFAOYSA-N 247.338 3.794 30 20 BHED Cc1nsc(N[C@@H]2CCC[C@H](C)[C@@H]2C)c1C#N 92912243 NYXYRASCNHZDQX-HOTUBEGUSA-N 249.383 3.560 30 20 BHED N#CCSCCCSCc1ccccc1 174003469 CAIGCOWVYIPKMM-UHFFFAOYSA-N 237.393 3.567 30 20 BHED C=CCCC[C@H](C)NC(=O)C1CCCCCC1 182652187 SSOBIAHLNCFOHB-ZDUSSCGKSA-N 237.387 3.818 30 20 BHED C=CCCC[C@H](C)NC(=O)c1cc(F)ccc1C 182656532 KDARLTBDSDOPPD-LBPRGKRZSA-N 249.329 3.609 30 20 BHED CCCCC[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 185763666 LAXJGQFKSORZIW-MELADBBJSA-N 222.376 3.627 30 20 BHED C[C@H]1CCC[C@@H](NCc2cc(C#N)cs2)CC1 191112765 ISWOUDPHIFDITE-WCQYABFASA-N 248.395 3.678 30 20 BHED C=CC[C@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 245959976 XKPXGBLQQSLZKD-LJISPDSOSA-N 249.398 3.674 30 20 BHED N#C[C@H](C(=O)c1ccccc1)C1CCCCC1 261507736 LQHFDNIUFOFHNF-AWEZNQCLSA-N 227.307 3.589 30 20 BHED C[C@H](CCC(C)(C)C)Nc1ccc(C#N)cn1 301358505 ZHZNNZGBSPXSGA-LLVKDONJSA-N 231.343 3.580 30 20 BHED C=CCCNc1ccccc1OC(C)(C)C 303860679 PNTHHDJCEAQWHL-UHFFFAOYSA-N 219.328 3.852 30 20 BHED CCCCCCCCN[C@H]1CSC[C@H]1C 308870578 SCCGOEVRUDNXDR-OLZOCXBDSA-N 229.433 3.688 30 20 BHED C[C@@H](CNc1ccc(OCC#N)cc1)C(C)(C)C 310674744 PCMRWHVWSZWKLI-LBPRGKRZSA-N 246.354 3.683 30 20 BHED N#CC1(CSCc2cc3ccccc3o2)CC1 344483268 KRLDSKYVGBBBOQ-UHFFFAOYSA-N 243.331 3.970 30 20 BHED C[C@@H]1CCCN(CC2(C#N)CC2)c2ccccc21 348811381 TYGCMSKZRSIPOI-CYBMUJFWSA-N 240.350 3.694 30 20 BHED C=CCNc1ccc(F)cc1OC(C)(C)C 390186793 LXTDJCVXNDENLK-UHFFFAOYSA-N 223.291 3.601 30 20 BHED C=CCCNC1(c2ccc(Cl)cc2)CCC1 390821917 ZVZFIQOZZTZPKA-UHFFFAOYSA-N 235.758 3.885 30 20 BHED C=C(C)CCNc1ccc(C(=O)C(C)C)cc1 453154276 DHMXTLMNRMLHQS-UHFFFAOYSA-N 231.339 3.903 30 20 BHED CC[C@H](C)CSc1ncc(C#N)cc1Cl 465050381 JLSMDVHIQYOZTG-QMMMGPOBSA-N 240.759 3.745 30 20 BHED C=C[C@@](C)(CC)C(=O)NCC1(CC)CCCC1 467962540 GBTHRWPONXZHIQ-AWEZNQCLSA-N 237.387 3.675 30 20 BHED C=C(C)CCN1CCC[C@H]2CCCC[C@H]21 509023851 YTXJDHWMBPGRDJ-ZIAGYGMSSA-N 207.361 3.607 30 20 BHED C=C(CC)CSCc1cc(OC)cc(C)n1 537421841 UZTMJVFQYJXBSV-UHFFFAOYSA-N 237.368 3.598 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 566036308 BDLQIPXBPJPRTM-PASATYPHSA-N 241.378 3.515 30 20 BHED C[C@@H]1CCCC[C@@H]1CSCCCC#N 596375647 DRVXEEOQLCHKFS-VXGBXAGGSA-N 211.374 3.850 30 20 BHED CC(C)N(C[C@@H](C)CCC#N)C1CCCCC1 602432987 JELFCBPUVMFYNM-AWEZNQCLSA-N 236.403 3.969 30 20 BHED CCOc1cc(C)ccc1NC[C@@H](C)CCC#N 602492328 PLMDJJXOUPWSCF-ZDUSSCGKSA-N 246.354 3.746 30 20 BHED C[C@@H](CCC#N)CNc1ccc2cnccc2c1 602687256 JAKJAYOCNKTTSO-LBPRGKRZSA-N 239.322 3.587 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C[C@@H]2CC[C@H](C)C2)C1 617783261 WVTINCRCFKEURK-RRFJBIMHSA-N 249.398 3.627 30 20 BHED C=CCCC(C)(C)NC(=O)C[C@@H](C)CCC 620861173 FAKJSNMDXDLDBD-LBPRGKRZSA-N 225.376 3.674 30 20 BHED C=C(C)CN(C)C(=O)CC(C1CCC1)C1CCC1 626383523 UFJGXIBAHMQZIX-UHFFFAOYSA-N 249.398 3.627 30 20 BHED C=CCCC(=O)Nc1ccc2ccccc2c1 726495839 NCRMVUUSOLMEAB-UHFFFAOYSA-N 225.291 3.745 30 20 BHED Cc1cc(F)ccc1NN=Cc1cccc(F)c1 750938176 DCXPWIWOBPHAPH-UHFFFAOYSA-N 246.260 3.719 30 20 BHED CCCCCCC=NNc1ccc([N+](=O)[O-])cc1 755462026 MUEWVQMBRGGQIC-UHFFFAOYSA-N 249.314 3.963 30 20 BHED C#CCCCCC(=O)NCC1(CC)CCCCC1 762612307 NYUALPRWXJYLRS-UHFFFAOYSA-N 249.398 3.657 30 20 BHED C(=NOC1CCCC1)[C@@H]1C[C@H]1c1ccccc1 774601629 FCQVWOIJVXAPAG-ZFWWWQNUSA-N 229.323 3.735 30 20 BHED C=CCCCCCSc1nccn1CC 783111113 IWTPYTNLANMUTC-UHFFFAOYSA-N 224.373 3.742 30 20 BHED CCc1cccc(C)c1NN=C(C)[C@@H]1CCCO1 799493029 VVCZZHREYFQICT-AWEZNQCLSA-N 246.354 3.524 30 20 BHED CC1(C)CCCC[C@H]1NN=C1CCC[C@H](C#N)C1 814917650 NXTCVUUCAIGDIZ-GXTWGEPZSA-N 247.386 3.615 30 20 BHED C=CCCC(C)(C)NCCCc1cnccc1C 827818136 MWWKHPRDYALBEF-UHFFFAOYSA-N 246.398 3.657 30 20 BHED C=C(C)CCN[C@H](C)c1cc(Cl)ccc1O 834882538 RMCUUONEDMGNNT-SNVBAGLBSA-N 239.746 3.662 30 20 BHED C=C[C@@H](CC)CC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 891165779 PAOFXXGTWBYEMU-MJBXVCDLSA-N 249.398 3.626 30 20 BHED CC/C=C\CCSCc1cc(C#N)ccn1 901781815 FAZIBQUMHZUNCX-ARJAWSKDSA-N 232.352 3.543 30 20 BHED CC(C)(C)[C@H]1CCC[C@H]1Nc1ncccc1C#N 1163480963 SSGUEXUZQIXYSJ-QWHCGFSZSA-N 243.354 3.580 30 20 BHED CC1(CSc2cccc(F)c2C#N)CCC1 1613821779 UBULIOYLSBRWGB-UHFFFAOYSA-N 235.327 3.980 30 20 BHED Cc1cccc(/C=C2/Cc3ccccc3C2=O)c1 17042944 VVLDMLRTNDUXKS-GDNBJRDFSA-N 234.298 3.817 30 20 BHED C=CCNc1ccc(C)c(C(F)(F)F)c1 50522260 ROPXYSCWBLMYES-UHFFFAOYSA-N 215.218 3.612 30 20 BHED C[C@@H](c1ccc(C(C)(C)C)cc1)N(C)CC#N 68971714 GLSHPYMXIWDYLL-LBPRGKRZSA-N 230.355 3.500 30 20 BHED C=CCCC(=O)O[C@H](CC)c1ccc(OC)cc1 113675219 CYEVWOYRXFTKDN-CQSZACIVSA-N 248.322 3.656 30 20 BHED C=CCCC(=O)N1CCC[C@H](C(C)(C)C)CC1 116090563 JEVCDROQZRKBDF-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C=CC[C@H](C)NC(=O)C[C@@H](CC)c1ccccc1 116853598 QMDYUVSTGVDGBT-UONOGXRCSA-N 245.366 3.651 30 20 BHED C#CCCCCN[C@H](CCC)CCC=C 119147641 PRBSKTYKJXFDMY-CQSZACIVSA-N 207.361 3.514 30 20 BHED C=CC[C@H](C)NCc1ccc(C(C)C)cc1 124260482 KTZUUWAAZOWPIP-ZDUSSCGKSA-N 217.356 3.864 30 20 BHED CCCCCCC[C@H](C)NCC(C)(C)C#N 126418623 RHNOBADMIWVSBF-ZDUSSCGKSA-N 224.392 3.875 30 20 BHED CC[C@@H](NCCCC#N)c1cccc(Cl)c1 132056633 JXEMDJQRPCQMIP-CYBMUJFWSA-N 236.746 3.684 30 20 BHED C=C[C@H](C)N[C@H]1C[C@H](C)Sc2sccc21 157239028 MEMDXQGCIQAXPL-QXEWZRGKSA-N 239.409 3.838 30 20 BHED C=C(Cl)CN[C@@H](c1ccc(C)cc1)C1CC1 162084807 VUMIDVOJONADQZ-AWEZNQCLSA-N 235.758 3.788 30 20 BHED C=CCCCC(=O)N1CCC[C@H]1C1CCCC1 175392101 BAPGBHNKPNLFRR-AWEZNQCLSA-N 235.371 3.524 30 20 BHED CCCCCCCCN[C@H](C)C1CCOCC1 180401610 DOWRNUIGUZMIQA-CQSZACIVSA-N 241.419 3.752 30 20 BHED C#CCCCC(=O)NCC1(CC(C)C)CCCC1 192149821 APQSXWMVYSEOOG-UHFFFAOYSA-N 249.398 3.513 30 20 BHED C=CCC[C@H](C)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 252803036 AJAHVSNCTQUCPQ-RFQIPJPRSA-N 209.377 3.755 30 20 BHED Cc1cc(C)cc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)c1 274613504 KSNUMAYDEFRHEJ-LZWOXQAQSA-N 242.366 3.646 30 20 BHED CC(C)=CCCN[C@H](C)c1ccc(C#N)c(F)c1 276721405 DFHPYMMLQOPTOB-GFCCVEGCSA-N 246.329 3.704 30 20 BHED N#Cc1ccc(F)c(CSCCCCF)c1 285069273 LOXNBTHYMAWIBF-UHFFFAOYSA-N 241.306 3.680 30 20 BHED C[C@@H](N(CCC#N)Cc1ccccc1)C(C)(C)C 346028664 HFLKMUHVIJSQAQ-CQSZACIVSA-N 244.382 3.837 30 20 BHED C=CCN(CCc1ccccc1)Cc1ccco1 352756627 BXKQIFGCHOVSBJ-UHFFFAOYSA-N 241.334 3.510 30 20 BHED C=CCCC1(C(=O)N[C@@H](C)c2ccc(C)o2)CC1 354548533 MOBGKJHHHXSPEP-LBPRGKRZSA-N 247.338 3.512 30 20 BHED C[C@@H]1C[C@H](c2ccccc2)CCN1CCCC#N 374174069 IMACMZCZDFNEBX-GDBMZVCRSA-N 242.366 3.558 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 424688237 NTUDXZPHLPZCKT-ZIAGYGMSSA-N 249.398 3.674 30 20 BHED CC[C@@H](C)CN(CC)[C@@H](C)c1cccc(C#N)c1 442687417 XYSFRXJZQQNPFA-KGLIPLIRSA-N 244.382 3.987 30 20 BHED C=CCN(C)CCSc1ccc(Cl)cc1 494627379 YUWOBEPJWXQVFB-UHFFFAOYSA-N 241.787 3.550 30 20 BHED C=C(C)CCSc1ccc(C#N)cc1 505531581 DLEDXWJJBPFQTM-UHFFFAOYSA-N 203.310 3.617 30 20 BHED C[C@H](C#N)CNC1CCC2(CCCCC2)CC1 525973575 FZTYMPAJDWJNEO-CYBMUJFWSA-N 234.387 3.629 30 20 BHED CCC[C@@H](CN(CC#N)C1CC1)c1ccccc1 540506849 WWBHMNGBEPRMJJ-HNNXBMFYSA-N 242.366 3.558 30 20 BHED CC[C@H](CC#N)NCc1cccc(C(C)C)c1 595529513 JNQXPVZNHBJBRU-OAHLLOKOSA-N 230.355 3.592 30 20 BHED N#Cc1ccc(S[C@@H](C#N)C2CC2)c(Cl)c1 601079289 ZCBGXRKGMPQBNL-LBPRGKRZSA-N 248.738 3.606 30 20 BHED CC(C)=CCC[C@H](C)NC[C@H](C)CCC#N 602678573 GHJHRIDXQJHYGE-KGLIPLIRSA-N 222.376 3.651 30 20 BHED C=CCC[C@@H](C)N[C@H](C)c1cccc(C#N)c1 611386594 PDYZSPOMNKQOSU-CHWSQXEVSA-N 228.339 3.564 30 20 BHED C=CC[C@H]1CCCC[C@H]1NCC1(C(F)F)CC1 657997289 AUNNBVPGDYAVAA-NWDGAFQWSA-N 243.341 3.756 30 20 BHED C=CCCOC(=O)c1cc2ccc(Cl)cc2[nH]1 729072654 RQAVKHFIORBGPA-UHFFFAOYSA-N 249.697 3.554 30 20 BHED C=C(Cl)CN(C)CCc1ccc(Cl)cc1 733614264 IYJLJIJGVWNXPF-UHFFFAOYSA-N 244.165 3.567 30 20 BHED C[C@@H](C=NNC1CCCC1)CCc1ccccc1 749158606 VBHAGRGPXIXQCZ-CQSZACIVSA-N 244.382 3.773 30 20 BHED CC[C@H]1CCCC1=NNc1ccccc1 758354589 KBAUYUNXXLXUIL-NSHDSACASA-N 202.301 3.665 30 20 BHED C#CCCCN1CCC[C@@H]1c1cc(C)ccc1C 766904354 FJUBENZIRNSZEP-QGZVFWFLSA-N 241.378 3.854 30 20 BHED C=CCN(C(=O)C=C(CCC)CCC)C(C)C 770695871 AFQVLGQRBDCJMT-UHFFFAOYSA-N 237.387 3.936 30 20 BHED C#CC[C@H](N[C@@H](C)C1CCCC1)c1ccccc1 773113287 CXOXUKPTZMYTAI-YOEHRIQHSA-N 241.378 3.919 30 20 BHED Cc1ccc(CON=C2CCC2)c(Cl)c1 774820868 ILKQCBCTFMUZHE-UHFFFAOYSA-N 223.703 3.705 30 20 BHED Fc1ccc(Cl)cc1C=NOC/C=C/Cl 811671721 UZBZUUPIRCNNQA-UOZKWQDASA-N 248.084 3.582 30 20 BHED C[C@@H](CC=NOC1CCC1)c1ccccc1 812235326 SDANPRCNGPSUGJ-LBPRGKRZSA-N 217.312 3.735 30 20 BHED CCc1ccc(C(C)=NOC2CCC2)cc1 812236283 JEPWXWUACSIQJB-UHFFFAOYSA-N 217.312 3.542 30 20 BHED CCC(=NN[C@H](C)c1ccncc1)[C@H]1CC1(C)C 819817576 BGHRMPBLCXXCJK-DGCLKSJQSA-N 245.370 3.544 30 20 BHED CC(C(=O)O[C@H]1CCC[C@H](C#N)C1)=C1CCCC1 839052425 GPDBFROHFARSKF-JSGCOSHPSA-N 247.338 3.502 30 20 BHED CC(C)(C)c1nc(CSCCCC#N)co1 901815176 KLFNDNWFRYHAFH-UHFFFAOYSA-N 238.356 3.509 30 20 BHED Cc1cccc(NN=Cc2sccc2C)c1 916256031 IBTYXFHZYFCVCH-UHFFFAOYSA-N 230.336 3.811 30 20 BHED Cc1cc(C)cc(NN=Cc2csc(C)n2)c1 916346712 QFVNMFOEDUFTPP-UHFFFAOYSA-N 245.351 3.514 30 20 BHED CC[C@H](C)[C@@H](C)NCCCCC1(C#N)CCC1 930225432 BQQGMGYEIVEDSH-UONOGXRCSA-N 236.403 3.875 30 20 BHED CC1(CNc2ncccc2C#N)CCCCCC1 1307079715 WPDVMNWTGUCWEY-UHFFFAOYSA-N 243.354 3.726 30 20 BHED CCCCCCN[C@H](C)c1cccc(C#N)c1 37232648 FSSBXSUTPHBWMT-CYBMUJFWSA-N 230.355 3.789 30 20 BHED CC(C)(C#N)CCCN1CCC[C@H]2CCCC[C@@H]21 87608507 VGKQZKPUFAQMFL-CABCVRRESA-N 248.414 3.971 30 20 BHED N#Cc1ccc2nc(N[C@H]3CC=CCC3)ccc2c1 92914006 HWJAOJRWECMFFV-AWEZNQCLSA-N 249.317 3.627 30 20 BHED Cc1cccc(NCc2ccccc2C#N)c1F 181128918 ONJCJSMHVKQNNX-UHFFFAOYSA-N 240.281 3.618 30 20 BHED Cc1nc(Cl)ccc1N[C@@H]1CCC[C@@H](C#N)C1 193479809 AWINNGUDUGKZCQ-GHMZBOCLSA-N 249.745 3.538 30 20 BHED C#CCCCCN[C@H](C)CCCCCC 222295127 BHWKFUNJQRFBNO-CQSZACIVSA-N 209.377 3.738 30 20 BHED CC1(C)C[C@@H]1CNc1ccc(Cl)cc1C#N 226531151 XBZDZROXXHCBTI-SNVBAGLBSA-N 234.730 3.670 30 20 BHED C#Cc1cccc(NC(=O)C(CCC)CCC)c1 228447262 CYRPSTKCPUIEQG-UHFFFAOYSA-N 243.350 3.823 30 20 BHED C=CC[C@H](C)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 231837536 RLBUMMOUOAEOST-HBNTYKKESA-N 235.293 3.662 30 20 BHED Cc1cc(C)cc(C(=O)/C=C\c2cccnc2)c1 255057091 XLHRMQCRIHLQQM-WAYWQWQTSA-N 237.302 3.595 30 20 BHED CC1(C)C(C(O)=Nc2ncc(C3CC3)[nH]2)C1(C)C 329305975 OZANDGFIQIOTAJ-UHFFFAOYSA-N 247.342 3.557 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1CCS[C@H]1C 380138024 UZJKKSXDXUMQKY-RWMBFGLXSA-N 227.417 3.605 30 20 BHED C=CCCC[C@@H](C)N[C@@H]1CCc2cccc(O)c21 398193836 SKMHOYNYXMPTFN-TZMCWYRMSA-N 245.366 3.714 30 20 BHED N#CC1(CCSc2ncco2)CCCCC1 413000646 BJSUZYCXRPUNKG-UHFFFAOYSA-N 236.340 3.631 30 20 BHED C[C@@H](CCc1ccccc1)SCCC#N 413014006 PPIBXBWRGCHMMG-LBPRGKRZSA-N 219.353 3.655 30 20 BHED N#C[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H](C3CC3)C2)C1 424342198 FKNRPNMEIFOVAZ-SYAUCNOPSA-N 246.398 3.627 30 20 BHED CC(C)=CCSc1ccc([N+](=O)[O-])cc1C#N 432136287 BSVJGQFSEQKZDD-UHFFFAOYSA-N 248.307 3.525 30 20 BHED C=CCC[C@H](C)NC[C@@H]1CSc2ccccc21 449362757 KQUVAHMPVGPEJZ-QWHCGFSZSA-N 247.407 3.820 30 20 BHED C=C[C@@H]1CCCCN1C(=O)c1ccccc1Cl 488816268 CEBPNDYVKRFYPD-LLVKDONJSA-N 249.741 3.521 30 20 BHED C=C(C)CCN1Cc2ccccc2C2(CCC2)C1 510627527 DECJXCKBZOPNTI-UHFFFAOYSA-N 241.378 3.890 30 20 BHED CC(C)(C)[C@@H]1CCCN1Cc1ccc(C#N)cc1 514086624 BUHQWLHJNDQSIL-HNNXBMFYSA-N 242.366 3.569 30 20 BHED C=CCCCNc1ccc(C)c(OC(F)F)c1 524843505 RGBXXSKPWIKQBP-UHFFFAOYSA-N 241.281 3.975 30 20 BHED C=CCC(CC=C)c1nc([C@H]2CC[C@@H](C)O2)no1 528228398 BORFHXJKTAQPGM-ZYHUDNBSSA-N 248.326 3.545 30 20 BHED C=CCCN(Cc1ccco1)c1ccccc1 533372196 MWVDLIREYOLYBB-UHFFFAOYSA-N 227.307 3.862 30 20 BHED C=CCCCCNC(=O)C[C@@H]1CCCC[C@@H]1C 546724389 SAOHURCDJBIOTK-KBPBESRZSA-N 237.387 3.675 30 20 BHED CC[C@H](F)CSc1cccc(F)c1C#N 576837089 DFWBTPGFIHADEI-QMMMGPOBSA-N 227.279 3.538 30 20 BHED Cc1ccc(F)c(NC(=O)CCCCCC#N)c1 588147427 HTRLFTHTUVWTAH-UHFFFAOYSA-N 248.301 3.547 30 20 BHED C[C@H](CCC#N)CN[C@H]1CCC[C@@H]1C(C)(C)C 602692468 IFQGDXNNVZAXEC-RDBSUJKOSA-N 236.403 3.731 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)C1CC1 657530699 RFNYNZBCSOYULK-YUTCNCBUSA-N 207.361 3.509 30 20 BHED C=CCN(C[C@H](C)c1ccccc1)C(C)C 735078876 WOVXOINQVFZSCJ-AWEZNQCLSA-N 217.356 3.687 30 20 BHED C=CCCCOC(=O)c1cc(C)n(C(C)C)c1C 735523320 IYXQLASXMCHVOR-UHFFFAOYSA-N 249.354 3.809 30 20 BHED C=CCCCC(=O)Oc1ccc(OC(C)C)cc1 748541571 NUSPZJIQVPXLPY-UHFFFAOYSA-N 248.322 3.736 30 20 BHED C[C@H](C=NOCC(F)F)CC1CCCCC1 758899100 DIPZDNWOTQFEFY-JTQLQIEISA-N 233.302 3.860 30 20 BHED C#CCCCN[C@H]1CCC[C@H]1c1ccc(C)cc1 766225050 ZKKTXFNLULJSIJ-IRXDYDNUSA-N 241.378 3.634 30 20 BHED CCCCCCCC(=O)N(C)c1cnccc1C 766823018 GAKWPFUKZSEPLZ-UHFFFAOYSA-N 248.370 3.713 30 20 BHED Cc1cc(F)ccc1/C=C/C(=O)c1ccco1 769769614 AYXDBSGABOSNIY-FNORWQNLSA-N 230.238 3.623 30 20 BHED CC(C)CON=C1CC[C@@H]1c1ccccc1 769799497 LRDZYAIKUPHOOV-CYBMUJFWSA-N 217.312 3.593 30 20 BHED C#CCCCCCC(=O)Nc1ccccc1Cl 779704675 VQLJJFXNJWSMOD-UHFFFAOYSA-N 249.741 3.862 30 20 BHED Cc1cc(F)ccc1C=NN[C@H]1CCCC1(C)C 782303466 WTHOOFRTMXMZOY-AWEZNQCLSA-N 248.345 3.636 30 20 BHED CCCCCCCCON=C1CCCOCC1 790510435 DYPRAHCRKNXGQD-UHFFFAOYSA-N 241.375 3.920 30 20 BHED C=C(C)CN(C/C=C/Cl)Cc1ccccc1 791565348 AJWIBEWSMZJNRO-RMKNXTFCSA-N 235.758 3.817 30 20 BHED Clc1ccc(NN=C[C@H]2C[C@H]3C=C[C@H]2C3)cc1 793006729 YILNSHMJLCHDOB-SDDRHHMPSA-N 246.741 3.950 30 20 BHED C=CCCCCC[C@@H](C)NCc1cc(C)on1 793523013 OXTLHUPYPXDUGK-GFCCVEGCSA-N 236.359 3.598 30 20 BHED CCCCCCC(C)=NNc1cccc(F)n1 795010005 SMWJJFXAXYMNKJ-UHFFFAOYSA-N 237.322 3.979 30 20 BHED C=CCCCCCCCCNC(=O)c1ccoc1 805277930 NPVYVNJEJYKUQF-UHFFFAOYSA-N 249.354 3.926 30 20 BHED C[C@]1(C=NOC/C=C\Cl)C[C@@H]1c1ccccc1 841638546 DISOGZDFMNKDDJ-FAFLHGFPSA-N 249.741 3.935 30 20 BHED C=CC(C)(C)CC(=O)N1C[C@H](CC)CC[C@H]1C 880703880 SIZPJJUBIWJGJY-CHWSQXEVSA-N 237.387 3.626 30 20 BHED C[C@@H](c1cccc(C#N)c1)N(C)CCCC1CC1 1195359346 VHZHUARCWPEMTP-ZDUSSCGKSA-N 242.366 3.741 30 20 BHED C=CCCC(=O)OCc1ccccc1C1CC1 1327710885 JUBFGMGUWDTQKS-UHFFFAOYSA-N 230.307 3.573 30 20 BHED C=C[C@@H]1CCCCN1Cc1coc(C(C)(C)C)n1 1351413607 HWQCCVXKHRAHDW-CYBMUJFWSA-N 248.370 3.513 30 20 BHED C=C(Cl)CN[C@H](CC)c1ccc(C)c(F)c1 1616881702 WXPXSSSHUMPTHI-CYBMUJFWSA-N 241.737 3.927 30 20 BHED Cc1cc(C)c(C#N)c(SCCC2CCC2)n1 1656013219 SDCNXANVTLOSBS-UHFFFAOYSA-N 246.379 3.852 30 20 BHED C=CCN[C@@H](CC)c1ccc(Cl)cc1 19875869 SCNONDBZNZWOPL-LBPRGKRZSA-N 209.720 3.567 30 20 BHED CN(c1cccc(Cl)c1C#N)C1CCCCC1 48727855 PMCWGGFMGIOJRA-UHFFFAOYSA-N 248.757 3.981 30 20 BHED CC[C@@H]1CCC[C@H](Nc2cccc(C#N)c2)C1 71105721 JQXIWYCVGFMXTP-OCCSQVGLSA-N 228.339 3.939 30 20 BHED CCCc1ccccc1Nc1cccc(C#N)n1 81618247 BKOWOZFXVCVGFP-UHFFFAOYSA-N 237.306 3.649 30 20 BHED C=C(C)CS[C@@H](C)c1ccc(C#N)cc1 118445747 BXKYBIHZPXRGPW-NSHDSACASA-N 217.337 3.929 30 20 BHED CC(C)CCN(Cc1cc(C#N)cs1)C1CC1 129831916 BJDAPJLANUUVEI-UHFFFAOYSA-N 248.395 3.630 30 20 BHED C=CC[C@H](C)NC(=O)C1(CC(C)C)CCCC1 155302689 HAKLKHSNCMHDCZ-ZDUSSCGKSA-N 237.387 3.674 30 20 BHED C=CCCCCCN(C)[C@H](C)c1ccccn1 177267269 JTXNVJRQBLQZHS-CQSZACIVSA-N 232.371 3.821 30 20 BHED C=CCSc1nc(-c2ccccc2)c(C)[nH]1 187117829 NCHYOUSOVIWWFT-UHFFFAOYSA-N 230.336 3.663 30 20 BHED C=CCC[C@@H](NCC1(SC)CCC1)C1CC1 193807459 JJWCOXTYZKQQQK-CYBMUJFWSA-N 239.428 3.607 30 20 BHED C[C@@H](c1ccc(F)cc1)N(C)CCC(C)(C)C#N 265977114 DOZICZMCTCFFQY-LBPRGKRZSA-N 248.345 3.758 30 20 BHED C=CCN(C)C(=O)c1ccc(C2CCCC2)cc1 290836653 XHNBZCVUFXLHRK-UHFFFAOYSA-N 243.350 3.602 30 20 BHED C#CCCNc1cc(Cl)ccc1SCC 309033909 GVCUHJHZEJVINW-UHFFFAOYSA-N 239.771 3.887 30 20 BHED CC(C)CSCc1ccc(F)cc1C#N 343594857 ZIHRYTJPCODFHU-UHFFFAOYSA-N 223.316 3.587 30 20 BHED C=CC[C@@H](Cc1ccccc1)NC1CC(C)C1 414299782 KCSMXVQQODMPKP-SIWZUTFBSA-N 229.367 3.562 30 20 BHED CCC[C@H](CC)Sc1cc(C)ncc1C#N 425262967 SKPNRQGTQHTBTP-LBPRGKRZSA-N 234.368 3.933 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cc2ccc(C)cc2o1 426060824 SDOTWKBJNGWNIS-RYUDHWBXSA-N 229.323 3.966 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H](C)CCC(C)C 429838996 IPKIAHFOKLFFPM-LBPRGKRZSA-N 225.376 3.530 30 20 BHED Cc1cc(CNc2ccccc2C)ccc1C#N 443959950 NEAWELMLUOUKFU-UHFFFAOYSA-N 236.318 3.787 30 20 BHED C=C(C)CN(C)CC[C@@H](C)c1ccccc1 446817609 IRGQBBRALBDNPD-CQSZACIVSA-N 217.356 3.688 30 20 BHED Cc1cc(F)ccc1[C@H]1CCCN1CCCC#N 451975195 UTPCLFXVKKLJSD-OAHLLOKOSA-N 246.329 3.575 30 20 BHED CC[C@H](C)C[C@@H](CC)NCC(C)(C)CC#N 459736256 UIYSNWUXTYWEFK-QWHCGFSZSA-N 224.392 3.731 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@H]1CCCC1(C)C 476265767 XBMZEMRIIRQPTQ-CHWSQXEVSA-N 237.387 3.674 30 20 BHED CCC[C@](C)(CC)C(=O)Nc1ccc(C#N)cc1 483054754 RSEPBQQIPQVISF-HNNXBMFYSA-N 244.338 3.713 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@H](C)C(CC)CC 488817438 OWGHQDLNXMPSRP-OCCSQVGLSA-N 237.387 3.626 30 20 BHED C[C@@H]1CCN(CC2(C#N)CCC2)[C@H]2CCCC[C@H]21 515771665 HVXSZJKSNNZSIK-ILXRZTDVSA-N 246.398 3.581 30 20 BHED C=C(C)CN(CC)C(=O)C[C@@H]1CCCC[C@@H]1C 518737053 WSIXZGHVMLNFAS-KBPBESRZSA-N 237.387 3.627 30 20 BHED C=CC1CCN(c2nccc3ccccc23)CC1 527891048 SUMHOGWHSOMJPY-UHFFFAOYSA-N 238.334 3.637 30 20 BHED CC(C)(CC#N)CSc1ccc(C#N)cc1F 578644099 NDJQBBDOUGQHEL-UHFFFAOYSA-N 248.326 3.729 30 20 BHED C[C@H](c1ccc(C#N)cc1)N(C)C[C@H]1CC1(C)C 595911378 FZRCZINQWQCXSR-IUODEOHRSA-N 242.366 3.597 30 20 BHED CC[C@@H](C)n1cc(-c2ccc(F)cc2C#N)cn1 600790069 URAFCXWXMFQTPX-SNVBAGLBSA-N 243.285 3.532 30 20 BHED C=CCCCCCN(C)C(=O)CCC(C)C 606815941 HYPLFYVOSQBADF-UHFFFAOYSA-N 225.376 3.627 30 20 BHED C=CCC(C)(C)CNCc1ccc(C)c(OC)c1 645185116 UMNSWMKYTHDIDB-UHFFFAOYSA-N 247.382 3.696 30 20 BHED C=C(C)CCN1C[C@H](C(F)(F)F)CC[C@@H]1C 681410374 QTHUJFWRHYDTCT-WDEREUQCSA-N 235.293 3.615 30 20 BHED C=CC[C@H]1CCCC[C@@H]1NCCCC(F)F 688711938 IYXLUOAUHCYAFI-RYUDHWBXSA-N 231.330 3.756 30 20 BHED CC(Cc1ccsc1)=NNc1cccc(F)c1 729636942 DDMAMMDQAKUXPO-UHFFFAOYSA-N 248.326 3.918 30 20 BHED C=C(C)CCOC(=O)C[C@H](C)c1ccccc1C 744304790 DGUDZCFSZNDOJL-AWEZNQCLSA-N 246.350 3.998 30 20 BHED C=CCCCC(=O)N[C@H](C)c1ccc(C)s1 748294677 FFXJXSOBZSUBSJ-LLVKDONJSA-N 237.368 3.590 30 20 BHED CCCCCCCCNC(=O)C[C@@H]1C=CCC1 754849767 JYAFPOYKEJGXCR-CQSZACIVSA-N 237.387 3.819 30 20 BHED CC(C)=CCC[C@@H](C)CC=NNc1cnn(C)c1 761884123 FRLZUUAQRGLWGZ-CYBMUJFWSA-N 248.374 3.590 30 20 BHED C=C(CC)CNc1ccc(OC(C)C)c(C#N)c1 773203575 RKRYFEGZXJASDM-UHFFFAOYSA-N 244.338 3.724 30 20 BHED CCC(CC)CNN=C1CCC[C@H]1CC 774463982 SQNRMDMZTHNPPR-GFCCVEGCSA-N 210.365 3.578 30 20 BHED CC(C)[C@@H]1CCCC1=NOCCC(F)(F)F 777458900 FQAULDBMXNECRL-VIFPVBQESA-N 237.265 3.768 30 20 BHED C#CCCCCCC(=O)NC[C@H]1CCCC[C@H]1C 779869095 FSBSYVLKLZRHRP-HUUCEWRRSA-N 249.398 3.513 30 20 BHED CC[C@H]1CCC[C@H](C=NNc2ccccn2)C1 783805323 SSYXIKQMEUMMIQ-STQMWFEESA-N 231.343 3.696 30 20 BHED Clc1cccnc1NN=C1CCC12CCCC2 788714907 QYVWAHZPAPZPTM-UHFFFAOYSA-N 249.745 3.857 30 20 BHED CC[C@@H]1CCCCC1=NNc1cccc(F)n1 795005540 ASAXVKMQCWXRPN-SNVBAGLBSA-N 235.306 3.589 30 20 BHED CC(C)C[C@@H](C)C=Nn1cnc2ccccc21 799106843 OTBWFPLZAVWTLU-GFCCVEGCSA-N 229.327 3.552 30 20 BHED C=CCCCCCCN[C@H](CC)c1ccn(C)n1 806167818 LVCVHSXBEPXCOW-CQSZACIVSA-N 249.402 3.597 30 20 BHED COCCC1(C=NOC2CCC2)CCCCC1 812235200 AIHPPLDCVGCAEJ-UHFFFAOYSA-N 239.359 3.528 30 20 BHED CC(C)(C#N)CCCOC(=O)[C@@]1(C)CC=CCC1 838181667 BSOWOFZRQMCPLW-HNNXBMFYSA-N 249.354 3.606 30 20 BHED CCC(C)(CC)C(=O)O[C@H](C)CC(C)(C)C#N 851207390 XEGYPPNBBDUQQP-LLVKDONJSA-N 239.359 3.684 30 20 BHED C=CC(C)(C)CC(=O)Nc1ncccc1C(C)C 879278596 RVSWDOPFLBOFKH-UHFFFAOYSA-N 246.354 3.746 30 20 BHED CCCCNN=Cc1c(CC)oc2ccccc12 915966074 LOIWEAPIIHQAEV-UHFFFAOYSA-N 244.338 3.719 30 20 BHED N#Cc1c(F)cccc1NC[C@@H]1C[C@H]1C1CCC1 1163565939 IUPYLSDZUSHUPT-RYUDHWBXSA-N 244.313 3.545 30 20 BHED CC[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)[C@H]1C 1169494651 NGUOIKSJMFSJIU-KCQAQPDRSA-N 242.366 3.740 30 20 BHED CC(C)(CC#N)CNC[C@H]1CCCC(C)(C)C1 1461568019 WQAWPYLYECTVBF-ZDUSSCGKSA-N 236.403 3.732 30 20 BHED CCC1(CNc2cc(C)c(C#N)cn2)CCCC1 1612135972 ZBTPUSSWCRNJBI-UHFFFAOYSA-N 243.354 3.644 30 20 BHED Cn1c(-c2ccccc2)c(C#N)c2ccccc21 11805011 LXPMDYFOLKIYAN-UHFFFAOYSA-N 232.286 3.717 30 20 BHED C[C@H]1CCC[C@@H](Nc2ccc(OCC#N)cc2)C1 20126415 JYDQQQFCACQUDW-GXTWGEPZSA-N 244.338 3.580 30 20 BHED CC[C@H](C#N)Nc1ccc(F)c(C(F)(F)F)c1 43540848 MLNFZCUCZAUJQU-SSDOTTSWSA-N 246.207 3.559 30 20 BHED C#CCCNc1cccc(Oc2ccccc2)c1 70160792 ZPKGITBSSIUEJG-UHFFFAOYSA-N 237.302 3.914 30 20 BHED Cc1ccc(NCc2cc(C#N)cs2)cc1F 93685173 OISIDHBYVURGQU-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C=CC[C@H](C)NCc1cccn1CCC(C)C 119309722 QPYMMBPVLAYNHP-AWEZNQCLSA-N 234.387 3.588 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc(OC)c(Cl)c1 119327327 BEEAGIVCFZHYSC-ZJUUUORDSA-N 239.746 3.574 30 20 BHED C#CCCCCC(=O)N([C@H](C)CC)[C@H](C)CC 122463496 YCHDTGHPJIGCNI-ZIAGYGMSSA-N 237.387 3.606 30 20 BHED C=CCC(CC=C)c1nc(CC(C)C)no1 124544579 QFMXJUBYXKXEID-UHFFFAOYSA-N 220.316 3.504 30 20 BHED C=CCSCc1cc(-c2cccs2)on1 129721240 ZBFJZLAWHYVFLG-UHFFFAOYSA-N 237.349 3.822 30 20 BHED CCCCCCCSCc1nc(C)no1 161194741 BLAYPHYLYLFLEA-UHFFFAOYSA-N 228.361 3.582 30 20 BHED N#CCCCCSC[C@H]1C[C@@H]2CC[C@H]1C2 161914634 FQAXKWGCAMCDDV-FRRDWIJNSA-N 223.385 3.850 30 20 BHED CC[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1C 165503179 USLORBIIQGAPJT-CZUORRHYSA-N 242.366 3.630 30 20 BHED CC[C@H](C)COc1ccc(C#N)c(Cl)c1 220988433 CPDMCXAJLBVYKU-VIFPVBQESA-N 223.703 3.637 30 20 BHED N#Cc1ccc(/C=C\C(=O)c2ccsc2)s1 255320501 MGQCLKYDPUWLBP-ARJAWSKDSA-N 245.328 3.577 30 20 BHED C=CCC[C@@H](N[C@@H](C)CC)c1ccco1 295964748 MHZJRMFISBBDFZ-NWDGAFQWSA-N 207.317 3.675 30 20 BHED C=CCCCN[C@@H](C)c1ccc(C)c(C)c1 303520676 WMKXWGLLYCXHTP-AWEZNQCLSA-N 217.356 3.920 30 20 BHED C#C[C@H](NCc1cc(Cl)cs1)C(C)(C)C 309019192 VZDBWCJJKVLQHT-NSHDSACASA-N 241.787 3.539 30 20 BHED C=CCC[C@H](NCCSCC(C)C)C1CC1 309612363 MYIOAJWLGQQOIN-AWEZNQCLSA-N 241.444 3.710 30 20 BHED CC[C@H]1C[C@]1(NCCCC#N)c1cccc(C)c1 337419341 QJXZUTHPETZCTD-GOEBONIOSA-N 242.366 3.514 30 20 BHED C=CCCC(=O)N[C@H](CC(C)C)c1ccccc1 338604456 VYQOFFVVJCMODP-OAHLLOKOSA-N 245.366 3.856 30 20 BHED CC(C)(CNc1cnccc1C#N)C1CCCC1 354888821 QABISCBVKDRRTK-UHFFFAOYSA-N 243.354 3.582 30 20 BHED C=C(Cl)CN[C@H](Cc1ccccc1)C(C)C 381205519 GEDAMFSDSNLVDX-CQSZACIVSA-N 237.774 3.596 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccc(OC)cc1 393758443 JPGKODZIINTFDK-OCCSQVGLSA-N 233.355 3.701 30 20 BHED Cc1cc(C)cc(OCCCSCCC#N)c1 413013449 OFMLEPYDTWQWQP-UHFFFAOYSA-N 249.379 3.719 30 20 BHED C=CCC(C)(C)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 431799941 VIRJNCSNSKMNDU-RFGFWPKPSA-N 249.398 3.530 30 20 BHED C[C@@H]1CC(C)(C)CC[C@@H]1N[C@@H]1CCC[C@@H](C#N)C1 447585943 LBQGNEHTHOHGSG-TUVASFSCSA-N 248.414 3.873 30 20 BHED C=CCOc1cccc(CN2CCCC[C@H]2C)c1 505886513 GXIINPVJHHHSHW-CQSZACIVSA-N 245.366 3.626 30 20 BHED C=CC[C@H](CC)NCc1ccc2occc2c1 512342743 LMRLOCPZKWSVBW-AWEZNQCLSA-N 229.323 3.877 30 20 BHED C=CCN(C(=O)C[C@H](CC)CCCC)C1CC1 536823180 VHGLYEUKTSLKSA-CYBMUJFWSA-N 237.387 3.770 30 20 BHED C=C(CC)CSc1ccc([N+](=O)[O-])cc1 536882667 UGAWJNVEVWOGTN-UHFFFAOYSA-N 223.297 3.653 30 20 BHED C=CCCCSCc1ccc(CC#N)cc1 542221848 NSLROWIFPWZXFT-UHFFFAOYSA-N 231.364 3.952 30 20 BHED C=CCCSCCc1noc2ccccc12 594558574 DRBAEDROAVOQRU-UHFFFAOYSA-N 233.336 3.680 30 20 BHED Cc1ccc([C@H](C)N(C)C[C@@H](C)CCC#N)cc1 602437826 DGEQJIFGSFMQIH-GJZGRUSLSA-N 244.382 3.928 30 20 BHED CC[C@H](C)[C@H](C)N(C[C@H](C)CCC#N)C1CC1 602463446 GCAJGEHPIGHOGV-RDBSUJKOSA-N 236.403 3.825 30 20 BHED C=CCCCN(C)[C@H](C)c1ccc(C)cc1 605149958 WJNWDIVSGBBSDP-CQSZACIVSA-N 217.356 3.954 30 20 BHED CCC[C@@H](C)N[C@@H](CC)c1ccc(C#N)cc1 618561464 WPEMLBOEMWJWIK-DOMZBBRYSA-N 230.355 3.788 30 20 BHED C=CC[C@@H]1CCCN(c2nc(C)c(C)s2)C1 664254010 SMSYLZVGDZWXTD-GFCCVEGCSA-N 236.384 3.552 30 20 BHED C#CC1CCN(C(=O)CCCCCCCC)CC1 692309714 JYEZENOHOADCPZ-UHFFFAOYSA-N 249.398 3.609 30 20 BHED COc1cccc(NN=Cc2sccc2C)c1 725853392 KQKGUWCZBFTJRJ-UHFFFAOYSA-N 246.335 3.511 30 20 BHED CCCCCCC(C)=NNC1CCCC1 727652793 ZKULRXANRFSLGC-UHFFFAOYSA-N 210.365 3.865 30 20 BHED CC(=NOCC(C)C)[C@H](C)c1ccccc1 749636344 FPAWQBPDRFHEQM-LBPRGKRZSA-N 219.328 3.839 30 20 BHED CCC(C)(CC)C(=O)OCCCC(C)(C)C#N 784755513 JPCRXNYOOZIBQF-UHFFFAOYSA-N 239.359 3.686 30 20 BHED Cc1cccnc1NN=C1CCC[C@H](C)[C@@H]1C 790192883 JAFIORPXRGGYHS-JQWIXIFHSA-N 231.343 3.614 30 20 BHED C=CCCCCCCNC(=O)[C@@H]1CC[C@H](C)C1 805219261 CJRDUGXCBHSLFQ-UONOGXRCSA-N 237.387 3.675 30 20 BHED C[C@H]1CCC(=NOC2CCC2)c2ccccc21 812237323 UMFXGSOCYBQUTQ-NSHDSACASA-N 229.323 3.857 30 20 BHED C=CCCCCCCN[C@@H](C)[C@]1(C)CCCO1 815625723 KWBKMFHYDABDTN-GJZGRUSLSA-N 239.403 3.670 30 20 BHED COCc1cccc(N[C@H](C)CC(C)(C)C#N)c1 829178147 BZCHBPOLEUARFP-GFCCVEGCSA-N 246.354 3.573 30 20 BHED C=C[C@@H](C)ON=Cc1cscc1C(F)(F)F 844619747 COPGBLNWZWFDKM-SSDOTTSWSA-N 249.257 3.692 30 20 BHED C#CCCCCCC(=O)N[C@@H]1C[C@H]1CC(C)(C)C 844790661 RGKONNLYALQXNO-UONOGXRCSA-N 249.398 3.511 30 20 BHED C[C@@H]1CCCCN1N=Cc1cc(Cl)cs1 853379918 NYXDWVJMEZZTNN-SECBINFHSA-N 242.775 3.610 30 20 BHED Cc1cccc2c1[C@H](C)C[C@@H]2NCC(C)(C)C#N 903100744 WVKRCQREHPSZPO-OCCSQVGLSA-N 242.366 3.683 30 20 BHED CCCCCCCCOC(=O)c1cc(C)no1 918492439 KWKQHPLZJQMGQL-UHFFFAOYSA-N 239.315 3.500 30 20 BHED C=C(CC)C(=O)N[C@H](CCC)c1ccccc1 1123584404 OGRXKTIGYXTWCS-CQSZACIVSA-N 231.339 3.610 30 20 BHED C=C(Cl)CN[C@@H](C)CCCC(C)C 42222305 ZOTWASGXIMEPOP-NSHDSACASA-N 203.757 3.543 30 20 BHED CC[C@@H](C)C[C@H](C)NCc1ccc(C#N)cc1F 88297373 PEKRPIRNPCFRLK-NEPJUHHUSA-N 248.345 3.612 30 20 BHED CCc1ccc(CN(CCC#N)CCC(C)C)o1 93100859 PNQRUJJYDXNGMD-UHFFFAOYSA-N 248.370 3.604 30 20 BHED C=CCC[C@H](C)Nc1ccc(Cl)nc1 96034358 IMVYXSGZGGWGEZ-VIFPVBQESA-N 210.708 3.502 30 20 BHED CC[C@H]1CCCN(Cc2ccc(C#N)s2)CC1 128846298 WUBGLVCPWUKRSY-LBPRGKRZSA-N 248.395 3.632 30 20 BHED N#Cc1cccc(Oc2ccc(Cl)c(F)c2)n1 133119596 HWSRTJZNXDGXIP-UHFFFAOYSA-N 248.644 3.538 30 20 BHED C=C(Br)CSc1ccccc1 144783548 AOYAIWVKWABBEE-UHFFFAOYSA-N 229.142 3.687 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1sccc1C 161679604 XXAIPBBKVPFDHA-QWRGUYRKSA-N 209.358 3.672 30 20 BHED O=C(/C=C/c1cccnc1Cl)C1CCCCC1 171539793 MFORIOXCNVFHJI-CMDGGOBGSA-N 249.741 3.898 30 20 BHED Cc1occc1SCc1ccccc1C#N 181288413 QIMVMXORONDOBM-UHFFFAOYSA-N 229.304 3.752 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cccc(C)c1F 188569262 SEHVPHIYNAGKQJ-AWEZNQCLSA-N 235.302 3.675 30 20 BHED C=C(C)CN(C)[C@@H](C)c1ccc(F)cc1F 194985773 MBXBDRQOANOKCS-JTQLQIEISA-N 225.282 3.534 30 20 BHED C/C=C\CS[C@@H](C)c1ccc(C#N)cc1 255239802 NIMIHIZDFSTUDI-BYCRGOAPSA-N 217.337 3.929 30 20 BHED Cc1cc(C#N)cc(NCc2ccsc2)c1 308098086 AMNQSDMZAJFGMN-UHFFFAOYSA-N 228.320 3.540 30 20 BHED C=CCC(C)(C)CNCc1ccc(F)cc1F 310564891 LFRMKZGEDXLLSQ-UHFFFAOYSA-N 239.309 3.657 30 20 BHED C[C@H]1CC[C@@H](C)C[C@H]1Nc1cccc(CC#N)c1 313419324 AAGOQQDGPGUYPP-DVOMOZLQSA-N 242.366 3.989 30 20 BHED N#CC1(CN(CC2CCC2)c2ccccc2)CC1 343326127 OVWLOHULZZBQGS-UHFFFAOYSA-N 240.350 3.597 30 20 BHED C=CCC[C@@H](C)NC[C@H]1CCCCC1(F)F 390563425 MYVRFHJRQCIBFF-VXGBXAGGSA-N 231.330 3.756 30 20 BHED C=CC[C@H](C)[C@H](C)NC[C@@H](SC)C(C)(C)C 390658474 ROJWULFPFOMNOM-RWMBFGLXSA-N 243.460 3.954 30 20 BHED C=CCC[C@H](N[C@@H]1CCC(F)(F)C1)C1CC1 390780369 JFVANMODPAEENC-NEPJUHHUSA-N 229.314 3.509 30 20 BHED C=CC[C@H](CC)NCc1ccc(OC(C)C)cc1 393770161 FHZUQPJLQWOYQQ-HNNXBMFYSA-N 247.382 3.918 30 20 BHED C=CC[C@H](CC)NCc1ccc([C@H]2C[C@@H]2C)o1 393771894 UMHRUGUDOKDOTG-OBJOEFQTSA-N 233.355 3.847 30 20 BHED C=CC[C@@H](CC)NC(=O)CCC1CCCCC1 410142237 KFBKVPJIPDYTIL-CQSZACIVSA-N 237.387 3.818 30 20 BHED CCC(CC)CN(CCC#N)Cc1ccoc1C 414382955 QFVIPJJEXNHMNW-UHFFFAOYSA-N 248.370 3.740 30 20 BHED C=C[C@@H](CC(=O)NC[C@@H](C)CC)c1ccccc1 421589588 JZBHPXYTAXLESN-KBPBESRZSA-N 245.366 3.509 30 20 BHED C=C(C)C(C)(C)C(=O)N1CCC[C@H](CC)CC1 424673848 KFXGCQVMDQASCU-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED CCC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C(C)(C)C 449473619 RCEITLJWWQAZES-MCIONIFRSA-N 236.403 3.873 30 20 BHED C=C(C)CS[C@@H](C)C(=O)Nc1cccc(C)c1 477008161 GUYRLJXCTIKNTL-LBPRGKRZSA-N 249.379 3.631 30 20 BHED C=CCCCC(=O)NCCCC1CCCCC1 479549091 VWHBVLHKDQDBEI-UHFFFAOYSA-N 237.387 3.819 30 20 BHED C=CCN(CC=C)Cc1ccc([C@@H]2C[C@@H]2C)o1 505847711 FDMWIOKVHIHRFI-GXTWGEPZSA-N 231.339 3.577 30 20 BHED C=CC[C@@H](C)NC(=O)CCCC1CCCCC1 522645255 KTJACNIIWQEZIM-CYBMUJFWSA-N 237.387 3.818 30 20 BHED CC(C)(C)CCNC1(c2cccc(C#N)c2)CC1 560165571 FKFUBIOXVOWTCL-UHFFFAOYSA-N 242.366 3.573 30 20 BHED C=CCCC1(c2nc(C(CC)CC)no2)CC1 569408945 GKQXQRAZGVMNLH-UHFFFAOYSA-N 234.343 3.971 30 20 BHED CCN(Cc1ccc(C#N)cc1C)[C@H](C)C(C)C 614396731 JUZGQDRUIPQRSR-CQSZACIVSA-N 244.382 3.733 30 20 BHED CC(C)(C)CCN[C@H]1CCc2cc(C#N)ccc21 618831309 IIPPKGYTPWDSJY-HNNXBMFYSA-N 242.366 3.571 30 20 BHED C=CCC[C@@H](CC)N[C@@H](C)c1cnc(C)s1 631706111 BALFACJCTNURAI-CMPLNLGQSA-N 238.400 3.847 30 20 BHED C=C(C)CSc1nnc(-c2ccccc2)s1 729939835 MNDCJYPRMOSCKH-UHFFFAOYSA-N 248.376 3.873 30 20 BHED CCCCCCN(CCC#N)CC(C)(C)C 740877244 IAJUVLZKYQHXPI-UHFFFAOYSA-N 224.392 3.828 30 20 BHED CCC/C=C/C(=O)O[C@H](C)c1ccc(C#N)cc1 749063488 ZLCLSQUZVZZVOH-BTDICHCPSA-N 243.306 3.519 30 20 BHED CCCCCCCSCC(=O)N(CC)CC 751804423 GUSUAKNRJTXLSC-UHFFFAOYSA-N 245.432 3.558 30 20 BHED CC(=NNCCc1ccccc1F)C1CCCC1 764724270 UUEOFRQZBOORKF-UHFFFAOYSA-N 248.345 3.524 30 20 BHED CC(=NNc1cccc(C#N)c1)c1cccc(C)c1 767336498 OQARCDGKIMFVNQ-UHFFFAOYSA-N 249.317 3.703 30 20 BHED Cc1cc(C=NNc2c(C)cccc2F)c(C)[nH]1 769829083 ZPJWVOXKFHWUKU-UHFFFAOYSA-N 245.301 3.525 30 20 BHED C#CCCCCC(=O)O[C@H](C)c1cccc(C)c1 773784779 IFRVFXLOQUZQLA-CQSZACIVSA-N 244.334 3.793 30 20 BHED CCC(=CC(=O)O[C@H](C#N)C1CCCCC1)CC 776397010 KLULLWZEXSWDNZ-CQSZACIVSA-N 249.354 3.748 30 20 BHED CCC(C)(C)CC(=O)OCCCC(C)(C)C#N 783947758 PWEPRRADUCXHTM-UHFFFAOYSA-N 239.359 3.686 30 20 BHED C=CC[C@@H](C)NC(=O)c1ccccc1CC(C)C 790651589 RDHKYKPJKMZTAO-CYBMUJFWSA-N 245.366 3.580 30 20 BHED C=C(C)CN(C)C(=O)c1ccccc1CC(C)C 790859420 OKCCKBNKLMIRND-UHFFFAOYSA-N 245.366 3.533 30 20 BHED C=CCCCCCCCN[C@@H](C)[C@H]1CCCO1 810243819 VBHJTPVXXOQKQV-LSDHHAIUSA-N 239.403 3.670 30 20 BHED CCC(=NNc1c(C)cccc1F)c1ccco1 814904937 GIJPXHHTUNGSPU-UHFFFAOYSA-N 246.285 3.953 30 20 BHED CSc1ccccc1CC(C)=NOC(C)C 835001006 BCBMBQYFVOEYKK-UHFFFAOYSA-N 237.368 3.752 30 20 BHED CCCCCCCCCC(=O)NC[C@@H]1C[C@@H]1C 915289923 KDXPYIUDVYXCEY-KBPBESRZSA-N 239.403 3.899 30 20 BHED CC1(C)CCC(C)(C)N(CC2(CC#N)CC2)C1 1473657307 FGVUVNQFTHXWPF-UHFFFAOYSA-N 234.387 3.581 30 20 BHED CCc1cccc(NCc2cccc(C#N)c2)c1 19962125 VDAMUIDWFJYLIA-UHFFFAOYSA-N 236.318 3.733 30 20 BHED C[C@H](C1CC1)N(CCCC#N)Cc1ccccc1 52928096 XOYKVYGLHCMWDL-CQSZACIVSA-N 242.366 3.591 30 20 BHED C=C(C)CN(CC)C(=S)Nc1ccc(C)cc1 57740629 ANADYZYQYIFBKV-UHFFFAOYSA-N 248.395 3.590 30 20 BHED Cc1cccc(/C=C\C(=O)c2ccsc2)c1 97600885 YHDUEVFHFFKWCP-WAYWQWQTSA-N 228.316 3.953 30 20 BHED C=C(CNCc1ccccc1F)c1ccccc1 110057558 AOQOAQWBEUOGQO-UHFFFAOYSA-N 241.309 3.629 30 20 BHED C=CCCC[C@H](C)NC(=O)Nc1ccccc1C 124437775 VAAKCUXTTOKBQL-ZDUSSCGKSA-N 246.354 3.861 30 20 BHED C[C@@H](NCCCC#N)c1ccc(C(C)(C)C)cc1 154408666 MOCBAZIWCVEHHI-CYBMUJFWSA-N 244.382 3.938 30 20 BHED CC#CCCCC(=O)N(C)[C@H]1CCCC[C@H]1CC 185840010 DXAGUMCYRNFAOT-CABCVRRESA-N 249.398 3.607 30 20 BHED CSc1ccccc1NCCC(C)(C)C#N 232273582 JUHCJWHNTURVCL-UHFFFAOYSA-N 234.368 3.760 30 20 BHED C=CC[C@@H]1N(C(=O)C2CC=CC2)CCCC1(C)C 278495458 WQCCDJIDVQYNLH-AWEZNQCLSA-N 247.382 3.546 30 20 BHED N#C[C@H]1CC[C@@H](Sc2ccc(F)cc2)C1 278660438 XANNBWZKHWBJMO-JOYOIKCWSA-N 221.300 3.610 30 20 BHED CC1=CC[C@H](N[C@H](C)c2ccc(C#N)cc2)CC1 284197478 RYLLAJRXNVHFBN-CJNGLKHVSA-N 240.350 3.708 30 20 BHED C[C@H]1CCC[C@@H](Nc2ccc(Cl)c(C#N)n2)C1 301151199 AFFGNKHMDOVVIN-VHSXEESVSA-N 249.745 3.597 30 20 BHED C=CC[C@H](C)N[C@H]1C[C@@H](C)c2ccccc21 309313121 MRGKAGUIQODWAV-XUJVJEKNSA-N 215.340 3.789 30 20 BHED CC[C@@H](CC#N)NCCCC1CCCCC1 310000813 DTQCJPZWLDDPBQ-AWEZNQCLSA-N 222.376 3.629 30 20 BHED CC[C@@H]1CCC[C@H]1NC1CCC(C)(C#N)CC1 336214445 SPVKYOMLOWPGLU-FEWQNLEASA-N 234.387 3.627 30 20 BHED CCCCN(CCCC#N)[C@H]1CCC[C@@H](C)C1 339649847 VFNFAZMSEPLTGM-CABCVRRESA-N 236.403 3.971 30 20 BHED C[C@H](CC#N)N(C)CCC1CCCCCC1 347785568 QRMFWGHOAFPUBE-CYBMUJFWSA-N 222.376 3.581 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)C(F)(F)F 380085453 HKXQKFNLFHBVJR-UWVGGRQHSA-N 223.282 3.662 30 20 BHED Cc1nc(Nc2ccccc2)c(Cl)cc1C#N 380171436 WXSNRABFRHOZTR-UHFFFAOYSA-N 243.697 3.659 30 20 BHED C=CC[C@@H](CC)Nc1ccc([N+](=O)[O-])c(C)c1 393800274 LYSDDAIXFQPCDD-LLVKDONJSA-N 234.299 3.670 30 20 BHED CCCC[C@H](C)N(C)Cc1cc(F)ccc1C#N 394063267 CRCPPBLDMCOAAW-LBPRGKRZSA-N 248.345 3.708 30 20 BHED C/C=C\CSCc1cccc(F)c1C#N 427859511 WFCSNTIZQYCVKS-IHWYPQMZSA-N 221.300 3.507 30 20 BHED C=CCC1(C(=O)N(C)[C@@H]2CC[C@H](C)C2)CCCC1 451401543 STVYSZSVRGVFHL-UONOGXRCSA-N 249.398 3.770 30 20 BHED C=C(C)CCNC(=O)Nc1c(C)cc(C)cc1C 454162111 HHGISYSBIBCCGO-UHFFFAOYSA-N 246.354 3.700 30 20 BHED CCCCC[C@H]1CCCN1c1ncccc1C#N 486906912 YKZZROZUYZBSRV-AWEZNQCLSA-N 243.354 3.502 30 20 BHED C=CCN(CC=C)C(=O)[C@H](C)CCC(C)(C)C 544401545 SGCNTRMYGPSXRI-CYBMUJFWSA-N 237.387 3.649 30 20 BHED Cc1cncc(C(=O)/C=C\c2sccc2C)c1 588476436 MLTOWBCJWNUVOW-ARJAWSKDSA-N 243.331 3.656 30 20 BHED C[C@@H](CCC#N)CNc1cccc(Cl)c1 602488703 XQXPKTDCIREOSD-JTQLQIEISA-N 222.719 3.692 30 20 BHED CCC1(NC[C@H](C)CCC#N)CCCCC1 602684540 ZUXQOYCWKFLQGF-CYBMUJFWSA-N 222.376 3.629 30 20 BHED C=CCC[C@H](CCC)N[C@H]1CCS[C@H]1C 647357996 LBXMMUJYZRFJDV-AVGNSLFASA-N 227.417 3.605 30 20 BHED C=CC[C@@H]1CCCC[C@H]1NCc1ccnc(C)c1 658025431 BTXHGDOQPCWKJF-HZPDHXFCSA-N 244.382 3.615 30 20 BHED C[C@H](COc1ccc(C#N)cc1F)C(C)(C)C 711192834 UJCJROZGXXYFHH-SNVBAGLBSA-N 235.302 3.758 30 20 BHED O=C(/C=C/C=C\c1ccc(F)cc1)c1ccco1 747694529 YZWLZEOCGSMJGX-AGRHYVPTSA-N 242.249 3.871 30 20 BHED C=C(C)CNc1ccc2c3c(cccc13)CC2 754656597 NLUOVPNSCFKWLE-UHFFFAOYSA-N 223.319 3.926 30 20 BHED Cc1ccc(F)c(NN=Cc2[nH]c(C)cc2C)c1 760260184 LDVHUUXLJLVBRB-UHFFFAOYSA-N 245.301 3.525 30 20 BHED CCON=C1C[C@@H](C(C)C)c2ccccc21 766432877 CYVSKFUBRLHXAW-ZDUSSCGKSA-N 217.312 3.571 30 20 BHED C#CCCCOc1ccc(OC)c2ccccc12 766750123 MTERWCMERYNSJR-UHFFFAOYSA-N 240.302 3.641 30 20 BHED C#CCCCCC(=O)N[C@@H]1CCCC[C@@H]1CCC 773322481 ORTNKZFAWPCYGG-LSDHHAIUSA-N 249.398 3.655 30 20 BHED C#CCCN[C@@H](c1cccc(C)c1)C(C)(C)C 775523156 FLDALIWMJBBDPI-HNNXBMFYSA-N 229.367 3.695 30 20 BHED C=CCC1(C(=O)OCC/C=C/CC)CCC1 791561529 YPAUENRCSCRILC-AATRIKPKSA-N 222.328 3.632 30 20 BHED CC(C)=CCC[C@@H](C)CC=NNc1cncnc1 794979149 XBKQYHFSOCJOIH-CYBMUJFWSA-N 246.358 3.647 30 20 BHED C=C(C)CCNc1cc(C#N)ccc1NCCC 809189946 SZSBAYICDUTZDS-UHFFFAOYSA-N 243.354 3.758 30 20 BHED Cl/C=C/CON=Cc1cc2ccccc2o1 811670136 YJPWNHLSSFFAOX-PSWGYPDDSA-N 235.670 3.536 30 20 BHED N#CCCCC(=O)O[C@@H]1CC[C@H]2CCCC[C@@H]2C1 812824782 LJVZEDLHXNALER-MGPQQGTHSA-N 249.354 3.582 30 20 BHED CO[C@@](C)(C=NNc1cc(C)ccc1C)C1CC1 814753665 UTGZSQIWZGVDPH-HNNXBMFYSA-N 246.354 3.516 30 20 BHED c1ccc(C2CC(=NOC3CCCC3)C2)cc1 814895110 UPXRLSGBMBQVIS-UHFFFAOYSA-N 229.323 3.879 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)c1ccc[nH]1 824050842 MDQAOJXEJGKBOY-OLZOCXBDSA-N 220.360 3.800 30 20 BHED CC(=NOC(C)C)c1oc2ccccc2c1C 835004432 OALMYNYQTIOQMG-UHFFFAOYSA-N 231.295 3.890 30 20 BHED CCCCCCC[C@@H](C)CNC(=N)NCCC 849065774 YHWAMRHOEOGEBA-CYBMUJFWSA-N 241.423 3.507 30 20 BHED CC(C)ON=C1CCC(=C2CCC2)CC1 853353703 JSICOCQHDMVFHQ-UHFFFAOYSA-N 207.317 3.822 30 20 BHED CCC1(CC)CCCN(C[C@@H](C)CCC#N)C1 1665242115 KEMUPBWBNSNLLN-AWEZNQCLSA-N 236.403 3.828 30 20 BHED Cc1cc(C)c(C#N)c(N[C@H]2CCC[C@@H](C)C2)n1 25571585 SYSRCJRCQHZFOU-MFKMUULPSA-N 243.354 3.561 30 20 BHED C=C(Cl)CNCc1ccc(C(C)C)cc1 45044830 UWXYRCNPHOKMMM-UHFFFAOYSA-N 223.747 3.652 30 20 BHED CC(C)(C#N)CCCN1CCC[C@@H]2CCCC[C@@H]21 87608508 VGKQZKPUFAQMFL-GJZGRUSLSA-N 248.414 3.971 30 20 BHED C=CCCOCCN[C@@H](C)c1ccc(C)cc1C 90883433 WVQUTQMDYQXNKE-HNNXBMFYSA-N 247.382 3.547 30 20 BHED CC(C)[C@H]1CCCCN1Cc1cc(C#N)cs1 93444168 BIJOIGHUZXCXNP-CQSZACIVSA-N 248.395 3.630 30 20 BHED C=C(Cl)CN(C)[C@@H](C)c1sc(C)nc1C 106936518 UHCGFMNYUGEKAC-VIFPVBQESA-N 244.791 3.505 30 20 BHED C=CCC(CC=C)C(=O)N1C[C@@H](C)CCC[C@@H]1C 150858680 YDHBLYHOMRBGBO-KBPBESRZSA-N 249.398 3.792 30 20 BHED C=CCCCCCN(C)C(=O)C[C@@H]1C=CCC1 156776079 GTTFHCUDQJDFIF-CQSZACIVSA-N 235.371 3.548 30 20 BHED C#CCCCN[C@H](C)c1cccc2ccccc12 169179456 GNLIAAVZXIVAPM-CQSZACIVSA-N 237.346 3.904 30 20 BHED CC1(C)Cc2occc2[C@@H](NCCCCC#N)C1 178643642 NUDQWTGCATVBNX-ZDUSSCGKSA-N 246.354 3.577 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C 180947378 HRHGUQOIARBTLV-JQWIXIFHSA-N 248.326 3.518 30 20 BHED CCC1(CN[C@H]2CCC[C@H](C#N)C2)CCCC1 185855901 RFVROLUKCSCRTI-KBPBESRZSA-N 234.387 3.629 30 20 BHED C=CCSCCN[C@@H](C)c1cc(C)cc(C)c1 221937297 SLTLVTZSRQMHRK-AWEZNQCLSA-N 249.423 3.873 30 20 BHED CC(C)(CCC#N)CNCC1(C)CCCCC1 229587611 PRLTYJZWSMOZFB-UHFFFAOYSA-N 236.403 3.876 30 20 BHED Cc1nsc(N[C@@H]2CCC[C@H](C)CC2)c1C#N 235662427 DCIJGVDEDUMMGE-GXSJLCMTSA-N 249.383 3.704 30 20 BHED CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C#N)cc1 252743638 QBQIGXTTZWPGPB-XNRPHZJLSA-N 242.366 3.788 30 20 BHED CC(C)c1ccc(CNCC2(C#N)CCC2)cc1 258837383 DWBBHCRVMVRNCM-UHFFFAOYSA-N 242.366 3.593 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1cccc(C#N)c1 281386918 ZFWBBXWUDUZMEO-WFASDCNBSA-N 228.339 3.564 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(Cl)cc1F 294335061 KYYNLPAVKVNFLW-UHFFFAOYSA-N 241.693 3.630 30 20 BHED C=CCSCCN[C@@H](C)c1csc(C)c1 381357596 JLIOVRMEODOHSZ-NSHDSACASA-N 241.425 3.626 30 20 BHED CC(C)OC1CC(SCCC(C)(C)C#N)C1 419472379 HQCUERAHSNSHSM-UHFFFAOYSA-N 241.400 3.615 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[C@H]1C1CC1 424902760 XSPMBSVYTYYMNS-KGLIPLIRSA-N 249.398 3.531 30 20 BHED C=CCCN(C)[C@H](CC)Cc1ccc(C)cc1 441355977 PBQKTKVOAJUCAX-MRXNPFEDSA-N 231.383 3.824 30 20 BHED CC(C)Oc1ccccc1N[C@@H]1CC[C@H](C#N)C1 442866532 LYKOUNVIWVJHDH-QWHCGFSZSA-N 244.338 3.578 30 20 BHED C[C@@H]1CCC[C@@H](C)C1NC1CCC(C)(C#N)CC1 449104949 XEXQQQGVZXSABV-NOZYUVCASA-N 248.414 3.873 30 20 BHED C=CCC[C@H](CCC)NCCC(C)(F)F 449354263 LMXZYTSXKNJQCV-NSHDSACASA-N 219.319 3.756 30 20 BHED C=CCCCCNC(=O)C1(C)CCCCCC1 471668624 RTVRRPFGLUGDPD-UHFFFAOYSA-N 237.387 3.819 30 20 BHED C=CCCC1(C(=O)Nc2cccc(C)c2F)CC1 476613246 SAYCNXWSJUVOLF-UHFFFAOYSA-N 247.313 3.819 30 20 BHED C=CCC(C)(C)C(=O)NCCC1=CCCCCC1 500347484 XJDOXUZCLVTNPH-UHFFFAOYSA-N 249.398 3.986 30 20 BHED C=CCN(Cc1ccc(Cl)c(F)c1)C1CC1 543620605 DHHPFAKOPGPBCF-UHFFFAOYSA-N 239.721 3.630 30 20 BHED N#C[C@@H]1CCC[C@H](Nc2cccc3cc[nH]c23)C1 618578744 VEJRWEPKIRIXQU-YPMHNXCESA-N 239.322 3.662 30 20 BHED C=CCCC(C)(C)NC(=O)C[C@H](C)c1ccco1 628156511 RKANUNBAKMWQEV-LBPRGKRZSA-N 249.354 3.634 30 20 BHED C=C(C)CN1CCC[C@@H]1c1ccc(OC)c(F)c1 661661029 MBPCSVHRSQGSLC-CQSZACIVSA-N 249.329 3.547 30 20 BHED CC[C@H](N[C@@H](C)CC(C)(C)C#N)C1CCCC1 695875451 YVYCNVZUEGYJJX-JSGCOSHPSA-N 236.403 3.873 30 20 BHED C#CCCN[C@H](c1ccc(F)cc1)C1CCCC1 775175623 DENVJRODGHFZRH-INIZCTEOSA-N 245.341 3.670 30 20 BHED C[C@@H]1CC(=NN[C@H](C)C(C)(C)C)C[C@H](C)C1 793111785 LWTSBTYSAXGIFZ-GRYCIOLGSA-N 224.392 3.823 30 20 BHED C[C@H](NN=C1CCC[C@@H](C)[C@H]1C)C(C)(C)C 793116210 RGJJZSGWDMNJSA-UTUOFQBUSA-N 224.392 3.823 30 20 BHED C/C(=C\Cl)CSCc1cccc(C#N)c1 797808927 UHYUDXUJZMSCLA-UXBLZVDNSA-N 237.755 3.934 30 20 BHED C=CC[C@H](CC)NC(=O)CCCCCCC 798551262 PJAGWRSCTSQBOR-ZDUSSCGKSA-N 225.376 3.818 30 20 BHED C=CCCCCCCNC(=O)/C=C(/C)C1CC1 805220994 IUCOCHKJXROHIP-SEYXRHQNSA-N 235.371 3.595 30 20 BHED CON=C1CCCC[C@H]1C1CCCCC1 814796151 VFOYJIMZHXBROA-LBPRGKRZSA-N 209.333 3.759 30 20 BHED C=CCON=C1CC[C@@H](Cc2ccccc2)C1 835016400 YWWWMUQNCUZVPJ-AWEZNQCLSA-N 229.323 3.588 30 20 BHED C=CCC1(CNC(=O)C(C)=C2CCC2)CCCC1 836991528 VTQBUWZOLKCXCK-UHFFFAOYSA-N 247.382 3.740 30 20 BHED C=C(C)CON=C[C@H]1CCC[C@@H](C(F)(F)F)C1 853370085 YSPYEOZHHYYQSM-WDEREUQCSA-N 249.276 3.934 30 20 BHED Clc1ccc(NN=C2CCC3(CC2)CC3)nc1 853437492 PKGDDNWKEQAVOM-UHFFFAOYSA-N 249.745 3.857 30 20 BHED Fc1ccc(NN=C/C=C\c2ccco2)c(F)c1 920355465 CDIPXJAKQKNYMY-MAPOGHOJSA-N 248.232 3.669 30 20 BHED Cc1cc(C)nc(CSCCCCC#N)c1 1356049306 HLMJHGGFXKCKAY-UHFFFAOYSA-N 234.368 3.626 30 20 BHED CC[C@H]1CCC[C@@H]1CNc1snc(C)c1C#N 1458385941 VAPQEJLTXPPJPY-WDEREUQCSA-N 249.383 3.561 30 20 BHED C[C@@H]1CCC[C@H](CCN(C2CC2)[C@H](C)C#N)C1 1654165046 LLXJLMMCSAOTFM-MGPQQGTHSA-N 234.387 3.579 30 20 BHED CCCC[C@@H](CC)CN(C1CC1)[C@H](C)C#N 1654165274 MLOFUGLERUCIBW-CHWSQXEVSA-N 222.376 3.579 30 20 BHED C[C@H](C#N)Sc1ccc2ccccc2c1 47820337 WRUPFVZUBDBYOM-SNVBAGLBSA-N 213.305 3.844 30 20 BHED C[C@@H](Nc1cccc(F)c1C#N)c1ccsc1 50340539 NGAJXZCZYNOHFP-SECBINFHSA-N 246.310 3.932 30 20 BHED Cc1ccccc1/C=C/C(=O)c1cccc(C#N)c1 59270226 MNLVLWYRZWCTLU-MDZDMXLPSA-N 247.297 3.763 30 20 BHED Cc1ccc(CNc2ccccc2C#N)cc1F 70160321 JIWQRQQBXUFCTQ-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CC(C)(CCC#N)CN1CCC2(CCCC2)C1 93336710 KPUJVCMTBLFTAK-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C#CCCCOc1cccc(Cl)c1Cl 161024804 UTQOHMWOQKVPCD-UHFFFAOYSA-N 229.106 3.786 30 20 BHED C=CCCC(=O)N[C@H](CCC)c1ccccc1 171423541 QRAPTVOODGYVIM-CQSZACIVSA-N 231.339 3.610 30 20 BHED C=CCCO[C@H](C)c1nc(C(CC)CC)no1 274020449 SCCJVVWHKVOMJP-SNVBAGLBSA-N 238.331 3.627 30 20 BHED C=C(Br)CSCC(C)(C)C 307758788 PSJUYOTZOLTUIP-UHFFFAOYSA-N 223.179 3.674 30 20 BHED C=C(CC)CNCc1ccc2nc(C)ccc2c1 313492252 NBUZANIAXQJESZ-UHFFFAOYSA-N 240.350 3.599 30 20 BHED Cc1c2c(nc3ccc(C#N)cc13)CS[C@@H]2C 334596403 DXOQEJVTPNCYPM-SECBINFHSA-N 240.331 3.723 30 20 BHED CCN(CCC#N)CCC1CCCCCC1 347655826 RGUFFLPDVJQETR-UHFFFAOYSA-N 222.376 3.582 30 20 BHED C=CCOc1cccc(CN(C(C)C)C2CC2)c1 351003673 VFCKBPCKGOISPP-UHFFFAOYSA-N 245.366 3.624 30 20 BHED C=C(CC)CSCc1csc(CC)n1 358635263 KCKWCQCJGBPHNL-UHFFFAOYSA-N 227.398 3.905 30 20 BHED C=CCC[C@@H](CCC)NCc1ccoc1C 393760779 KYFCBQIXWGRZOH-CQSZACIVSA-N 221.344 3.813 30 20 BHED Cc1ccc([C@H](C)NCC(C)(C)CC#N)cc1C 414162235 GUKUBZHQAIXSJT-AWEZNQCLSA-N 244.382 3.894 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccccc1Cl 424525123 MBHBJLAGWMJQSA-UHFFFAOYSA-N 237.730 3.881 30 20 BHED CC#CCCSc1nc(-c2ccccc2)co1 436259210 JZUNFXHYKTVNFP-UHFFFAOYSA-N 243.331 3.847 30 20 BHED CC(C)c1cccc(N[C@H]2CC[C@H](C#N)C2)c1 442851567 FHEFJSUBYVTQLK-WFASDCNBSA-N 228.339 3.914 30 20 BHED C=CCCCC[C@@H](C)N[C@@H]1CCOC(C)(C)C1 449217067 WSJRHRFZAWWMES-ZIAGYGMSSA-N 239.403 3.669 30 20 BHED CC(C)CC[C@@H]1CCCN1CC1(C#N)CCC1 450499394 KKNRCHJNAHWOHF-AWEZNQCLSA-N 234.387 3.581 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@H]1CCC[C@H]1CC 452141699 VSORAEACQWQCCO-CHWSQXEVSA-N 237.387 3.531 30 20 BHED C=C(CC)CN1CCC[C@@H]1c1ccc(OC)cc1 537993727 RHTARNAVRGTXSN-MRXNPFEDSA-N 245.366 3.798 30 20 BHED CCC[C@H](CN(CC#N)C1CC1)c1ccccc1 540506850 WWBHMNGBEPRMJJ-OAHLLOKOSA-N 242.366 3.558 30 20 BHED C=CCCC(=O)N(CCC)Cc1ccccc1F 588023770 HJTCCOACERFPSV-UHFFFAOYSA-N 249.329 3.531 30 20 BHED CC[C@@H](C#N)Sc1ccc(Cl)c(F)c1 593436365 FSADJVLZVCTAEH-ZETCQYMHSA-N 229.707 3.873 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cc2ccncc2s1 657903564 HORHZPQFXUATKL-UWVGGRQHSA-N 232.352 3.521 30 20 BHED C[C@H]1CC[C@@H](C)C[C@@H]1Nc1cc(F)cc(C#N)c1 718564092 JOBAQYIJPKECBU-ZETOZRRWSA-N 246.329 3.934 30 20 BHED Clc1ccc(NN=C2CCCCCC2)cn1 743450506 SQVQJIKHYUMHJZ-UHFFFAOYSA-N 237.734 3.857 30 20 BHED CCC(=NO[C@H]1CCCCO1)C1CCCCC1 755824846 TVTJVKMSOQWTHX-AWEZNQCLSA-N 239.359 3.876 30 20 BHED C=C(CNCc1cc(C)oc1C)c1ccccc1 767347737 DANMOCBGHZNUJC-UHFFFAOYSA-N 241.334 3.699 30 20 BHED CC1=CCC[C@H](C)[C@@H]1C=NOCC(C)C 773208705 NUKGTZOAHJNJEO-QWHCGFSZSA-N 209.333 3.637 30 20 BHED C=C(CC)COC(=O)[C@@H](C)c1cccc(C)c1 773516446 YMBAJZCWEFNWOP-ZDUSSCGKSA-N 232.323 3.608 30 20 BHED CC/C(C)=C(\C)C(=O)O[C@H](C#N)C1CCCCC1 780216765 SKJUZDNAIPBTCC-GCZGRYASSA-N 249.354 3.748 30 20 BHED CCC/C(C)=C\C(=O)OCCCC(C)(C)C#N 783177557 MJZKGQANXPJHJD-BENRWUELSA-N 237.343 3.606 30 20 BHED c1ccc2cc(CCON=C3CCC3)ccc2c1 783557044 OHKYASATNKEDJP-UHFFFAOYSA-N 239.318 3.939 30 20 BHED Cc1ccc(C=NN2CCC(C(C)(C)C)CC2)o1 790181418 PYHROLQJRYNFCZ-UHFFFAOYSA-N 248.370 3.680 30 20 BHED CC(=NNc1ncccc1C)C1CCCCC1 790187421 VHKVHEYKHILIQR-UHFFFAOYSA-N 231.343 3.758 30 20 BHED C=CCCCNc1cc(C#N)ccc1NCCC 795267134 UXMLVFMJVJNQSW-UHFFFAOYSA-N 243.354 3.758 30 20 BHED C#CCC(C)(C)C(=O)NCCCCCCCC=C 811590677 DYFVLJBNRIVXON-UHFFFAOYSA-N 249.398 3.679 30 20 BHED CCc1ccccc1NN=Cc1ccc(Cl)o1 814801703 KRBSDPYYPFIGOB-UHFFFAOYSA-N 248.713 3.941 30 20 BHED Cc1ccc(S[C@H]2CC[C@@H](C#N)C2)s1 830058014 XRNKLCVOABXMFP-ZJUUUORDSA-N 223.366 3.841 30 20 BHED CCC(=NNCCCc1ccccc1)C1CCC1 834955233 AJWBEZZOOZEKRQ-UHFFFAOYSA-N 244.382 3.775 30 20 BHED C=CCN(C(=O)/C=C1\CC[C@H](C)C1)C(C)(C)C 857651071 QJBAWXAPHVBULX-OWRWYXLESA-N 235.371 3.546 30 20 BHED C=CCC1(C(=O)OCCCc2ccco2)CCC1 861020920 HOXOUAGUGBEKPP-UHFFFAOYSA-N 248.322 3.502 30 20 BHED C=CC(C)(C)CC(=O)N(C)c1ccccc1C 893075175 NYKFHACCXLVFAC-UHFFFAOYSA-N 231.339 3.560 30 20 BHED Clc1cc(NN=C2CC3(CCCC3)C2)ccn1 901263049 QFUSLOOKIHDIRY-UHFFFAOYSA-N 249.745 3.857 30 20 BHED CC/C=C/CCSCc1cc(C#N)ccn1 901781816 FAZIBQUMHZUNCX-ONEGZZNKSA-N 232.352 3.543 30 20 BHED CC(C)c1ccccc1CN(C)[C@H](C)CC#N 929832762 UJURKHBDMKNFNJ-CYBMUJFWSA-N 230.355 3.544 30 20 BHED C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1C1CCCC1 930396035 MKNRFMQHWVQQTK-DZGCQCFKSA-N 249.398 3.770 30 20 BHED C[C@@H]1CCCCN1N=Cc1cccc2ccoc12 1118590956 FCPVLHITFBYBLZ-GFCCVEGCSA-N 242.322 3.641 30 20 BHED C=C(CC)C(=O)N(C)[C@@H](C)c1ccc(C)cc1C 1123490984 BJUAHROTTOBWIR-AWEZNQCLSA-N 245.366 3.789 30 20 BHED CCCCCCCCCC(=O)NC1(C)CC1 1318931431 NFFAXMYBCAGKNK-UHFFFAOYSA-N 225.376 3.796 30 20 BHED CC(C)C[C@@H](C)Nc1ccc(C#N)cc1F 37412624 RACFEYOZLGPBLG-SNVBAGLBSA-N 220.291 3.544 30 20 BHED CC[C@H](C)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 42554195 ONNGVTUEAINFHU-XQQFMLRXSA-N 230.355 3.643 30 20 BHED C[C@@H](CC#N)N[C@@H](C)c1ccc(C(C)(C)C)cc1 68609701 LHSJXJUPSIANTM-STQMWFEESA-N 244.382 3.937 30 20 BHED C=CCOc1ccc(CN[C@@H](C)CC2CC2)cc1 70101514 NFPNTRCFMHWHGT-ZDUSSCGKSA-N 245.366 3.530 30 20 BHED N#CCC1(CSc2ccc(F)cc2)CC1 88259659 MRCFQAAELOLCCG-UHFFFAOYSA-N 221.300 3.612 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCc2ccccc21 126738337 LYOICEJRGACJKY-SWLSCSKDSA-N 215.340 3.618 30 20 BHED C=CCCSCCOc1cccc(F)c1 151947652 YAJVKVVVHGIFLN-UHFFFAOYSA-N 226.316 3.514 30 20 BHED CC(C)CCN(CCC#N)Cc1ccccc1F 173537991 UQIFVBCPXQZMTO-UHFFFAOYSA-N 248.345 3.587 30 20 BHED C=CCCCC(=O)Nc1c(C)cccc1C 177907394 FTOITGAVJBVPRS-UHFFFAOYSA-N 217.312 3.598 30 20 BHED Cc1cc(N[C@H]2CCC[C@H](C#N)C2)ccc1F 185732189 OBSZYGYQSGQFRD-RYUDHWBXSA-N 232.302 3.628 30 20 BHED CC1(C)CCC(c2noc(CCCC#N)n2)CC1 232777266 HHOBPIHWZPCCPF-UHFFFAOYSA-N 247.342 3.600 30 20 BHED O=C(/C=C\c1cccnc1)c1coc2ccccc12 255690703 KDKGLPBEXNYJNU-FPLPWBNLSA-N 249.269 3.724 30 20 BHED C=CCCCc1nc([C@H]2CCCCS2)no1 274183520 ZMMXVZWCUBLOTR-SNVBAGLBSA-N 238.356 3.537 30 20 BHED CC[C@@H](C#N)SCc1ccc(SC)cc1 279996833 RTIRMHCOFVZANS-NSHDSACASA-N 237.393 3.944 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1cccs1 281446864 DBIRJDMIHUKYCV-MNOVXSKESA-N 209.358 3.753 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1ccco1 293876229 ZYXWWFCFFFHLHS-NSHDSACASA-N 207.317 3.533 30 20 BHED C=C(C)CN1CCS[C@@H](C)[C@@H]1c1ccccc1 303689349 LOCLJCKSEHVFKD-DZGCQCFKSA-N 247.407 3.741 30 20 BHED CCCCCCCNCc1sccc1OC 309867636 PEDMVRYVRSGCAT-UHFFFAOYSA-N 241.400 3.817 30 20 BHED C=C[C@@H](C)N[C@@H](CC)c1cc(Cl)ccc1O 310006989 HCAGOPXCIWZOJL-SKDRFNHKSA-N 239.746 3.661 30 20 BHED C[C@H]1CC(Nc2cccc(CC#N)c2)C[C@H](C)C1 313405787 CHCQBVAUJOOTMC-CHWSQXEVSA-N 242.366 3.989 30 20 BHED C[C@H](SCC1(C#N)CC1)c1cccc(F)c1 344475944 YNIGVGXCMGRGFV-JTQLQIEISA-N 235.327 3.924 30 20 BHED Cc1ccc(/C=C/c2ccncc2C#N)c(C)c1 347455569 XJNIKFBIPALFAO-AATRIKPKSA-N 234.302 3.741 30 20 BHED C=CCC[C@@H](CC)N[C@@H](C)c1cncc(F)c1 359250717 WGJVKNKJSHXUEZ-SMDDNHRTSA-N 236.334 3.616 30 20 BHED CO[C@@H](CSCCC(C)(C)C#N)CC(C)C 419470868 DAMSNGHXSASEJS-GFCCVEGCSA-N 243.416 3.721 30 20 BHED C=CCC1(NC(=O)[C@@]23CCC[C@H]2C3)CCCCC1 421554050 MRMJINHWXMLXNC-XJKSGUPXSA-N 247.382 3.572 30 20 BHED Cc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1C 430730313 AHETVFAQMSDQCU-CQSZACIVSA-N 242.366 3.648 30 20 BHED C=CCC(CC=C)C(=O)N1CCC(C)(CC)CC1 467830038 YKSJYLIUMWWNJQ-UHFFFAOYSA-N 249.398 3.794 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 499498074 LPTQIIXBVAMLPS-RWMBFGLXSA-N 237.387 3.530 30 20 BHED C=C(C)CCN[C@@H](C)[C@H](C)c1ccc(OC)cc1 508968608 YIVNXZPHTQBDTR-KBPBESRZSA-N 247.382 3.743 30 20 BHED C=CCC(C)(C)c1noc(-c2ccoc2CC)n1 551140904 VUHPFAWQGLCGRI-UHFFFAOYSA-N 246.310 3.746 30 20 BHED Cc1cc(CN(C)[C@H](C)C(C)(C)C)ccc1C#N 555515747 KORGDDSMSLKEQH-CYBMUJFWSA-N 244.382 3.733 30 20 BHED C=CCCCC[C@@H](C)NCc1cccc(C#N)c1 560925055 QMBZQGHJKFBEBG-CQSZACIVSA-N 242.366 3.783 30 20 BHED C=CCC1(C(=O)NCCC(C)(C)C2CC2)CCC1 565501750 SRIKVGCKEVSGSL-UHFFFAOYSA-N 249.398 3.675 30 20 BHED C=CC[C@@H](C)NC1CC(C)(c2ccccc2)C1 570830007 COBZNEFRFQZGIV-IUDNXUCKSA-N 229.367 3.661 30 20 BHED C=CCOCCSC1CCC(C)(C)CC1 590128146 VDMPNIVWWDWOEP-UHFFFAOYSA-N 228.401 3.891 30 20 BHED N#CC1(CSCC2=CCCC2)CCC1 592455360 UIFUYEWTGWJTDR-UHFFFAOYSA-N 207.342 3.524 30 20 BHED C=CCCN(C)Cc1cccc2ccccc12 606895950 IKQVVJQSHHGCHE-UHFFFAOYSA-N 225.335 3.848 30 20 BHED Cc1cccc([C@@H](C)N2CCC[C@](C)(C#N)C2)c1 612161806 AJMSVJQFFJPYKA-GDBMZVCRSA-N 242.366 3.682 30 20 BHED CC(=NN[C@H](C)c1ccccc1)C1CCC1 747633889 YSHBFDJCRWDDPN-LLVKDONJSA-N 216.328 3.513 30 20 BHED CC(=NOCC(F)F)c1ccc(C(C)C)cc1 758906869 MPAJGXXFWDSQJE-UHFFFAOYSA-N 241.281 3.816 30 20 BHED C#CCCNc1ccc(OCCC(C)C)cc1 760304413 LKUCCJSZAKCQHT-UHFFFAOYSA-N 231.339 3.547 30 20 BHED CC(CC(C)(C)c1ccccc1)=NNCC(C)C 771566005 CETDUJDFIAUJLB-UHFFFAOYSA-N 246.398 3.976 30 20 BHED C#CCCCCCC(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 779917834 OSDWBVXZQLKDRO-FICVDOATSA-N 249.398 3.511 30 20 BHED C=C[C@](C)(CC)C(=O)OCc1cccc(C)c1 785753907 MSTXEBFMVGZIIO-OAHLLOKOSA-N 232.323 3.641 30 20 BHED CCC(=NOC[C@@H](C)CC)c1ccc(C#N)cc1 793159399 OPTXBXVNCZBRRZ-LBPRGKRZSA-N 244.338 3.735 30 20 BHED CCCCCCCCOc1coc(C)cc1=O 794725931 IZIKUIKAGVHKOF-UHFFFAOYSA-N 238.327 3.688 30 20 BHED C[C@H]1CCCC(=NOCCC2CC2)[C@@H]1C 814245851 KKVKIEYEPPUXFY-WDEREUQCSA-N 209.333 3.615 30 20 BHED Clc1ccc(NN=C2CC[C@@H]2C2CCC2)cn1 814858720 FCSQSCSUPPMEES-LLVKDONJSA-N 249.745 3.713 30 20 BHED CC[C@H](C=NO[C@H]1CCCCO1)c1ccccc1 814887794 MQODAGURIKCYNX-HIFRSBDPSA-N 247.338 3.709 30 20 BHED C1CCC([C@H]2CCCCC2=NNC2CC2)CC1 814903776 ZXCAFKNCQRMAAP-CQSZACIVSA-N 234.387 3.865 30 20 BHED CCC(=CC(=O)O[C@H](C)CC(C)(C)C#N)CC 851209931 QSGGZCQNSTUBGW-LLVKDONJSA-N 237.343 3.604 30 20 BHED FC(F)c1ccc(CON=CC2CC2)cc1 853735020 NJFSQFAJSLGAAH-UHFFFAOYSA-N 225.238 3.537 30 20 BHED C=CC(C)(C)Cc1nc(-c2cccs2)no1 904275317 CIRJXLPWFCHILK-UHFFFAOYSA-N 234.324 3.553 30 20 BHED N#CC1(CS[C@H]2CCOc3ccccc32)CC1 1613618574 WDCZPVMFICZZPO-ZDUSSCGKSA-N 245.347 3.547 30 20 BHED N#CCCCSc1ccnc2ccccc12 68274486 OECNJBSRTXIPCH-UHFFFAOYSA-N 228.320 3.631 30 20 BHED C[C@H](CNCC(C)(C)CCC#N)C(C)(C)C 126851560 FUNVBMCRLXZENH-GFCCVEGCSA-N 224.392 3.588 30 20 BHED Cc1ccc(CSCCCCC#N)cc1 160993450 XNOFNRGYRZUWAB-UHFFFAOYSA-N 219.353 3.922 30 20 BHED C=C(C)CN[C@@H](C)c1nc2ccccc2s1 163658547 KYIKIZFBWLNCTB-JTQLQIEISA-N 232.352 3.523 30 20 BHED C=C(C)CCN[C@@H](C)c1cc(C)sc1C 168053609 PBDJDNCKSGYVAU-NSHDSACASA-N 223.385 3.982 30 20 BHED CC(C)(CCC#N)CN1CCc2c(F)cccc21 184428069 UPABUEQQKAFGMO-UHFFFAOYSA-N 246.329 3.518 30 20 BHED C=C[C@](C)(CC)c1nc(-c2cccs2)no1 191158157 FTAJANAHXFLSOG-GFCCVEGCSA-N 234.324 3.652 30 20 BHED C=CCCCCCN[C@H](C)c1cccc(O)c1 193495262 JQIAQQPFURWEIE-CYBMUJFWSA-N 233.355 3.789 30 20 BHED C[C@@H]1CC(C)(C)C[C@H]1Nc1cccc(C#N)c1 235320481 GZNTVFWPPIHMLR-BXUZGUMPSA-N 228.339 3.795 30 20 BHED C[C@@H]1[C@@H](Nc2ccc(CC#N)cc2)CCC[C@H]1C 252231618 ZYHUIAUXPYQASP-WWGRRREGSA-N 242.366 3.989 30 20 BHED Cc1cc(C#N)cc(N[C@H]2CCCC[C@@H]2C)c1 308107208 POCWONJINJALSI-WFASDCNBSA-N 228.339 3.857 30 20 BHED C=CCCNc1ccc(-c2ccccn2)cc1 357278017 MRSAXXLPAGGMBU-UHFFFAOYSA-N 224.307 3.737 30 20 BHED C=CCCCCN[C@H](C)c1ccccc1OC 379768049 MGSULHZLWRZBTP-CYBMUJFWSA-N 233.355 3.702 30 20 BHED C=C(C)CCN[C@@H](CC(F)(F)F)C(C)C 380218038 IQQNZPYXRJSTAN-JTQLQIEISA-N 223.282 3.519 30 20 BHED C=CCSCCN[C@H](CC)c1ccsc1 382115876 LSIJDMYDEWXTQD-GFCCVEGCSA-N 241.425 3.708 30 20 BHED C#CCCCCNC[C@H]1CCCC(C)(C)C1 390558079 RCXNSVNHVMNYEA-AWEZNQCLSA-N 221.388 3.596 30 20 BHED CC[C@H](Nc1cccc(CC#N)c1)[C@H]1CC1(C)C 397608472 BIPQRKLPQKMDBO-CABCVRRESA-N 242.366 3.989 30 20 BHED C[C@H]1C[C@H](C)N(CCC2(C#N)CCCCC2)C1 411282910 JWPACTFBMGJRFX-KBPBESRZSA-N 234.387 3.581 30 20 BHED N#CCCCSc1ccc2c(c1)CCCC2 421834743 CSOMHSOYYDQRPT-UHFFFAOYSA-N 231.364 3.961 30 20 BHED C=CCCc1noc([C@@H](C)c2cccc(C)c2)n1 453250057 XQGAZHUIHFTKRH-LBPRGKRZSA-N 242.322 3.648 30 20 BHED C=CCCCC(=O)N(C1CC1)[C@H](C)[C@H](C)CC 480897762 LNXXNDBLORWYDA-CHWSQXEVSA-N 237.387 3.768 30 20 BHED C=C[C@@H]1CCCCN1Cc1cc(F)ccc1F 489465839 VPWVYQYNPUPQLK-CYBMUJFWSA-N 237.293 3.505 30 20 BHED CCCc1ccc(CNCC(C)(C)CC#N)cc1 590970381 XOYPYHQBODJBRM-UHFFFAOYSA-N 244.382 3.669 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C2(C)CCCCC2)C1 617779935 KYYIXNBIUCGTBP-CQSZACIVSA-N 249.398 3.772 30 20 BHED C=CCC1(NCCCCF)CCCCC1 625934629 UXEUZVVUMXFCOO-UHFFFAOYSA-N 213.340 3.605 30 20 BHED N#Cc1cccc(N[C@@H]2CCCC[C@@H]2C2CC2)c1 696105875 RIXQGUMGPRUHED-HZPDHXFCSA-N 240.350 3.939 30 20 BHED CCCCCC[C@@H](C)NN=Cc1ccc(O)cc1 743449759 AVRHZVNMGCXTLC-CYBMUJFWSA-N 248.370 3.675 30 20 BHED C#CCCCN[C@H]1CCCc2c(Cl)cccc21 756613206 ZHXHEDYVOUEYPD-HNNXBMFYSA-N 247.769 3.720 30 20 BHED CC1(C)CCC(=NNc2ncccc2Cl)C1 783832741 MSMQWQJNPBLAEC-UHFFFAOYSA-N 237.734 3.713 30 20 BHED CC1(C)CCCC1=NNc1cccc(Cl)n1 793174874 NMIDXVQLTXOXKR-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C=CCCCCOC(=O)C1(C(F)F)CCCC1 811012866 ALQYGZGGNUNDGH-UHFFFAOYSA-N 246.297 3.711 30 20 BHED C#CCCCCN[C@H](C)c1ccc(F)cc1C 815596142 LWMJDPZGANNCPP-CYBMUJFWSA-N 233.330 3.588 30 20 BHED CCC[C@H](CC)C(=O)Nc1cccc(CC#N)c1 823435566 SBEVRPOIXYKOSU-ZDUSSCGKSA-N 244.338 3.517 30 20 BHED CC[C@H](C)NN=Cc1ccccc1C(C)C 848409403 VPDABRRQIOBSNF-LBPRGKRZSA-N 218.344 3.532 30 20 BHED CC[C@@H](N[C@@H]1CC=CCC1)c1cccc(C#N)c1 902872392 ZRFFIPSKGSCYBU-HZPDHXFCSA-N 240.350 3.708 30 20 BHED CCCCC(C)=NNc1ccccc1[N+](=O)[O-] 916249313 BTKWMGBOCTYHHJ-UHFFFAOYSA-N 235.287 3.573 30 20 BHED CCCCCCCc1nnc(CC(C)C)o1 1117246663 XWGZWWMSXPHWEV-UHFFFAOYSA-N 224.348 3.781 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(C)cc1 1336217743 OADHUHUYQREHCP-OAHLLOKOSA-N 243.350 3.566 30 20 BHED C=CCN(C)C(c1ccccc1)c1ccccc1 61758789 IKMYYVOQLIAYDC-UHFFFAOYSA-N 237.346 3.894 30 20 BHED CCC1CCC(N(C)CC2(CC#N)CC2)CC1 88259363 DBRVNQPQGPOAGR-UHFFFAOYSA-N 234.387 3.581 30 20 BHED C#CCCCCN[C@@H](CC(C)C)c1ccccn1 90398733 CDNSGPNSOZVRKY-INIZCTEOSA-N 244.382 3.562 30 20 BHED CC[C@@H]1CCCC[C@H]1NCc1cc(C#N)cs1 93492275 LCIYRASKOSDENW-TZMCWYRMSA-N 248.395 3.678 30 20 BHED C=C(CNCc1cccc(C)c1)c1ccccc1 110057704 JUPURZOSGGBGJY-UHFFFAOYSA-N 237.346 3.798 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 121042798 MVLSZLMJDSLRKG-GZBFAFLISA-N 249.398 3.696 30 20 BHED C=CCN(Cc1ccncc1)CC1CCCCC1 130446933 YDYFFUSVSHVVJQ-UHFFFAOYSA-N 244.382 3.650 30 20 BHED C=CC[C@H](C)N[C@@H]1CCCC[C@H]1C(C)C 161644994 JBDWOKYNWMKABP-MELADBBJSA-N 209.377 3.755 30 20 BHED C=CC[C@@H](C)NCC1(CCOC)CCCCC1 189215070 FMPLICXJYHPQKQ-CQSZACIVSA-N 239.403 3.528 30 20 BHED C[C@@H]1CCC[C@H](Nc2cc(F)cc(C#N)c2)[C@@H]1C 227605568 SQRSTDGGRJZHKZ-HFAKWTLXSA-N 246.329 3.934 30 20 BHED CCCC(CCC)C(=O)Nc1cccc(C#N)c1 228447229 USGOTEAHMLPRMU-UHFFFAOYSA-N 244.338 3.713 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1cccc(CO)c1 305763031 DFWXHYSNWBGFHY-KGLIPLIRSA-N 247.382 3.574 30 20 BHED C=CCC[C@@H](NCC1CC(C)(C)C1)C1CC1 309419911 JSJMYUQUPQBVOH-CQSZACIVSA-N 221.388 3.757 30 20 BHED C[C@H]1CCC[C@H](Nc2ncc(C#N)cc2Cl)C1 339136659 NFDCIUDGLWNDBB-ONGXEEELSA-N 249.745 3.597 30 20 BHED C=CCC1(C(=O)N(C)[C@H]2CCC(C)(C)C2)CCC1 362185821 AIOGRUYKYONYCQ-ZDUSSCGKSA-N 249.398 3.770 30 20 BHED N#CCCSCc1cc2ccccc2o1 413012460 LSRVZUOOAZCLDC-UHFFFAOYSA-N 217.293 3.580 30 20 BHED C=C(C)CCNC[C@@H](C)c1cc(F)cc(F)c1 449477539 PJEGJQQGXAOYMN-LLVKDONJSA-N 239.309 3.624 30 20 BHED C=CCC1(CN[C@@H](C)c2cccnc2)CCCC1 453376077 PITXUTZZNVCKLF-AWEZNQCLSA-N 244.382 3.869 30 20 BHED N#Cc1ccc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 462912363 QSQAYGYYVFGKCS-IJEWVQPXSA-N 240.350 3.939 30 20 BHED C=CCCCCNC(=O)Nc1ccc(C)c(C)c1 473498428 NFUFIRBIYRSSRQ-UHFFFAOYSA-N 246.354 3.781 30 20 BHED C=CCCCC(=O)N(CC)CC(CC)CC 479543613 PVGWNWBVXWBZQR-UHFFFAOYSA-N 225.376 3.627 30 20 BHED C=CCC[C@@H](N[C@@H]1CC=CCC1)c1ccco1 552061643 UGARJQVUWKFPEF-ZIAGYGMSSA-N 231.339 3.985 30 20 BHED CC[C@H](C#N)c1ccc(-c2c(C)noc2C)cc1 592986324 GLVZBBUJNHJFTI-GFCCVEGCSA-N 240.306 3.976 30 20 BHED C=CCCc1ccccc1NCC1(CC#N)CC1 594708007 OXNKFCMCQXPFAW-UHFFFAOYSA-N 240.350 3.911 30 20 BHED C[C@H](c1cccc(C#N)c1)N(C)CCC1CCC1 595548175 ARAHDPBNXGPCJU-CYBMUJFWSA-N 242.366 3.741 30 20 BHED C[C@H](CCC#N)CN1[C@H]2CCCC[C@@H]2C[C@H]1C 602473532 OJIDHZNFSBENRK-TUVASFSCSA-N 234.387 3.579 30 20 BHED C=CCC[C@H](NCc1ccc(C)o1)c1ccco1 631730591 YPHZATXDZZGVSE-AWEZNQCLSA-N 245.322 3.978 30 20 BHED C=CC[C@H](C)C(C)=NNc1cccc([N+](=O)[O-])c1 727776568 APGLDGFSMNMYDR-JTQLQIEISA-N 247.298 3.595 30 20 BHED C=C(C)CCOC(=O)C=C1CCC(C)CC1 744299499 DIQPUDNAOYXXQT-UHFFFAOYSA-N 222.328 3.632 30 20 BHED C=CCCC(CC)=NNc1cccc([N+](=O)[O-])c1 750916277 ITWZJIMDKUKPJK-UHFFFAOYSA-N 247.298 3.739 30 20 BHED CCC(CC)=NNCc1cccc(Cl)c1 756833053 ZZNBOFHYHAIJGD-UHFFFAOYSA-N 224.735 3.606 30 20 BHED COc1ccc(NN=C[C@@H]2CCC[C@H](C)C2)cc1 768366152 CBPBLXSULPRZRP-QWHCGFSZSA-N 246.354 3.919 30 20 BHED C[C@@H]1CCC(=NNC2CCCCC2)[C@H](C)C1 786043012 FBTHMSIGFCNRNS-VXGBXAGGSA-N 222.376 3.721 30 20 BHED CC1=CCC[C@H](C)[C@@H]1C=NOC1CCC1 812235066 JVGFTUGPJYNFQL-WCQYABFASA-N 207.317 3.534 30 20 BHED CCc1ccccc1NN=C1CCS[C@@H]1C 814801970 PYNCHRVKGJVYQK-SNVBAGLBSA-N 234.368 3.542 30 20 BHED CC(C)(C)CCNN=C1CC(c2ccccc2)C1 814901263 GGCIFFNCQVEHSH-UHFFFAOYSA-N 244.382 3.946 30 20 BHED CSCCON=C1CC[C@H](c2ccccc2)C1 814922167 XERNRWIWCBXDGK-ZDUSSCGKSA-N 249.379 3.690 30 20 BHED CC1(C)CCC(=NNc2ccnc(Cl)c2)C1 853395042 JAMJBTXJYACZEV-UHFFFAOYSA-N 237.734 3.713 30 20 BHED CCC(C#N)(CC)C(=O)OCCC1=CCCCC1 860200622 WRUBUWMVRLXLFZ-UHFFFAOYSA-N 249.354 3.750 30 20 BHED CCC(C#N)(CC)C(=O)O[C@H]1C=CCCCCC1 860749720 UKFMBGHEJOIQPW-ZDUSSCGKSA-N 249.354 3.748 30 20 BHED C=CC(C)(C)COC(=O)C[C@H](C)c1ccco1 860806599 FTWLJWIQRDIJAR-NSHDSACASA-N 236.311 3.529 30 20 BHED C=C/C=C/CCN(C)[C@@H](C)c1cccc(C#N)c1 878728224 KXWHOPSALHIEKK-GJBLVYBDSA-N 240.350 3.683 30 20 BHED CC(=NNc1ccc(Cl)cc1)c1ccco1 916246695 IKMSPXKVQPRJQY-UHFFFAOYSA-N 234.686 3.769 30 20 BHED Cc1cc(C)cc(C/N=C/c2ccccc2O)c1 1120854485 BMJHKVJSQYUVAY-GZTJUZNOSA-N 239.318 3.628 30 20 BHED C=C[C@@H](CC)CC(=O)N[C@H](C)c1cc(C)oc1C 1334990693 YOJVIFZWWGNOQA-YPMHNXCESA-N 249.354 3.676 30 20 BHED CC[C@@H](C)CCC(=O)O[C@@H](CC#N)c1ccco1 1347949154 RJSNUZUFHRVMQY-YPMHNXCESA-N 249.310 3.604 30 20 BHED N#Cc1c(F)cccc1Sc1cccc(F)c1 34522631 SXLKXAHZSLAWHV-UHFFFAOYSA-N 247.269 3.988 30 20 BHED C=CCCNc1cc(Cl)ccc1Cl 39118910 YVHMCMTYHVVASS-UHFFFAOYSA-N 216.111 3.981 30 20 BHED CCCCCOc1ccc(C#N)cc1Cl 42274636 SKRZGLZMIVKYGR-UHFFFAOYSA-N 223.703 3.781 30 20 BHED Cc1ccccc1SCC1(CC#N)CC1 88259720 LFJMJXFQYUOPFB-UHFFFAOYSA-N 217.337 3.781 30 20 BHED O=C(/C=C\c1cccc(F)c1)c1cccc(F)c1 90558556 CGCFRHMQQKEKKH-FPLPWBNLSA-N 244.240 3.861 30 20 BHED Cc1ccc2c(c1)C(=O)/C(=C\c1cccs1)C2 108145259 QWCDAVCLFWXVEK-XFXZXTDPSA-N 240.327 3.879 30 20 BHED C=CC[C@@H](C)NCc1cccn1CCC(C)C 119309855 QPYMMBPVLAYNHP-CQSZACIVSA-N 234.387 3.588 30 20 BHED C=CCCCCCN(C)C(=O)[C@@H]1CC=CCC1 156856675 FJVITKHETIAOKG-CQSZACIVSA-N 235.371 3.548 30 20 BHED COCCCCCSCCCC(C)(C)C#N 161804064 JHUPFKOXFBOAAP-UHFFFAOYSA-N 243.416 3.866 30 20 BHED CCCCCCCC(=O)Nc1cccc(F)n1 162229520 IOLVISSZZAPJPZ-UHFFFAOYSA-N 238.306 3.520 30 20 BHED C=CCCCC(=O)N[C@@H](c1ccccc1)C1CC1 175211644 UJDFMHXLDPUHGQ-INIZCTEOSA-N 243.350 3.610 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1cccc(C#N)c1 181988965 CFTJWFJVWDGVEW-ZIAGYGMSSA-N 242.366 3.954 30 20 BHED CC(C)CCSCc1ccc(C#N)cc1F 226382334 KKWDWBAQTINSGS-UHFFFAOYSA-N 237.343 3.977 30 20 BHED C=CCCCCNc1ccnc(Cl)c1 302287218 VZUGTKMIGYLPGQ-UHFFFAOYSA-N 210.708 3.503 30 20 BHED C=CC[C@H](CC)N[C@@H](C)Cc1cccs1 309094837 DLIUQAOCYDTNRB-RYUDHWBXSA-N 223.385 3.623 30 20 BHED C=CCCCCCCCNCc1ccco1 309419384 ZIZUXFJKSSGITO-UHFFFAOYSA-N 221.344 3.896 30 20 BHED C=CCC[C@@H](NCC1(CCC)CC1)C1CC1 310014340 KDVIIIDXGZJCKG-CQSZACIVSA-N 221.388 3.901 30 20 BHED N#Cc1ccc(NCCCc2ccsc2)cc1 360918429 JKYNAEHZSVLIAU-UHFFFAOYSA-N 242.347 3.664 30 20 BHED C=CCCCCC[C@@H](C)NCC(C)(F)F 378869807 KVAAEBZUDOXGLM-LLVKDONJSA-N 219.319 3.756 30 20 BHED C=C[C@@H](C)NCc1ccc(F)c(Cl)c1Cl 389593547 NSRNKKIYRJNZJE-SSDOTTSWSA-N 248.128 3.797 30 20 BHED C=C(C)CCc1noc(-c2cc(C)ccc2C)n1 508662309 MOSDCORXMBRCHF-UHFFFAOYSA-N 242.322 3.862 30 20 BHED C=CCN(C(=O)[C@H]1CC[C@H](C(C)C)CC1)C1CC1 540133101 NTCNWAHQUFKPGB-HDJSIYSDSA-N 249.398 3.626 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCC1(OCC)CCCC1 556232399 JFTHNWRUQGTGPV-ZIAGYGMSSA-N 239.403 3.526 30 20 BHED C=CCCCCN(Cc1ccccn1)C(C)C 578292652 LEQKPOSHGYNVGJ-UHFFFAOYSA-N 232.371 3.648 30 20 BHED C=CCCCCCSCc1conc1C 596355236 BDMMVPSLJUZGJE-UHFFFAOYSA-N 225.357 3.963 30 20 BHED CCC(CC)N(C[C@H](C)CCC#N)C1CC1 602441590 RGHANCQXLBGPEV-GFCCVEGCSA-N 222.376 3.579 30 20 BHED C=CCCNC(=O)[C@@H](CC(C)C)c1ccccc1 617616188 MRGIOAADCPUAKP-HNNXBMFYSA-N 245.366 3.509 30 20 BHED CC#CCCSc1nc2ccccc2s1 764956703 YQXOPUUHHDULFS-UHFFFAOYSA-N 233.361 3.802 30 20 BHED CCCCCCCN1CCCC[C@@H](COC)C1 767945619 ANJFPZRSLZKSBT-OAHLLOKOSA-N 241.419 3.705 30 20 BHED CC(C)CNN=C(C(C)C)C1CCCCC1 771567820 UGSFIUFOTIBGLC-UHFFFAOYSA-N 224.392 3.824 30 20 BHED C[C@H]1CCCCC1=NNCCC(C)(C)C 782907765 OUERZWHARRZWMF-NSHDSACASA-N 210.365 3.578 30 20 BHED CC1(C)CCC(=NNc2ccc([N+](=O)[O-])cc2)C1 783769761 AMTQYBNAHNLCAE-UHFFFAOYSA-N 247.298 3.573 30 20 BHED C=C[C@](C)(CC)C(=O)NC1CCCCCCC1 785440814 DPFIICSAJATNCD-OAHLLOKOSA-N 237.387 3.818 30 20 BHED C#CCCCN1C[C@H](c2ccc(C)cc2)C[C@@H]1C 786124919 KBAXNBDQIKTILL-DOTOQJQBSA-N 241.378 3.586 30 20 BHED CC(C)(C)CC(=NNc1ccc(F)cn1)C1CC1 787154762 KZAQASGVXMJPFV-UHFFFAOYSA-N 249.333 3.835 30 20 BHED C=C(C)COC(=O)c1ccc(C)c(Cl)c1F 789067469 URUBZOYBYGAAFH-UHFFFAOYSA-N 242.677 3.520 30 20 BHED C[C@@H](NN=C1CCC(C(F)F)CC1)C(C)(C)C 793111468 HYRMLGPRQRLOHY-YHMJZVADSA-N 246.345 3.822 30 20 BHED COCCC(C)=NNc1cccc2ccccc12 814822844 GQFYLTPZRMUBRE-UHFFFAOYSA-N 242.322 3.664 30 20 BHED C=CCCC(CCC)=NNc1ccc(C)cn1 814831961 YXFPAQPIXJCOIY-UHFFFAOYSA-N 231.343 3.924 30 20 BHED C=CCON=C1CC[C@@H](c2ccccc2)C1 835015103 PGKKAMZNBNLTSC-CYBMUJFWSA-N 215.296 3.513 30 20 BHED CC1(CC(=O)OCCC2(C#N)CCCCC2)CC1 840494446 QVROFOQHXIMCAL-UHFFFAOYSA-N 249.354 3.584 30 20 BHED C#CCCCCCC(=O)N[C@@H](CC)[C@@H]1CC1(C)C 841363164 UNZWHEMIIHXMFL-KBPBESRZSA-N 249.398 3.511 30 20 BHED C=CC(C)(C)CC(=O)Nc1cc(O)c(C)cc1C 897400150 JIWOKZJMPHGWOH-UHFFFAOYSA-N 247.338 3.550 30 20 BHED CCC(C)(C)N(C)CCCCC1(C#N)CCC1 929980791 XUHVCBPFJVSBIU-UHFFFAOYSA-N 236.403 3.971 30 20 BHED C=C(CC(C)C)C(=O)Nc1ccc(C)cc1F 1123484407 URUKIDNFQMSINT-UHFFFAOYSA-N 235.302 3.675 30 20 BHED C[C@@H]1CCC[C@@H](CCN2CCC[C@](C)(C#N)C2)C1 1192452555 LQVGHUFJGDVJMS-OWCLPIDISA-N 248.414 3.828 30 20 BHED CCCCCCCCc1nnc(CC)o1 1255057457 YEWKNXAVCSRHJV-UHFFFAOYSA-N 210.321 3.535 30 20 BHED CC(Cc1ccccc1Cl)=NOC1CCC1 1324677040 SNCMEEJCQFVQEL-UHFFFAOYSA-N 237.730 3.828 30 20 BHED C[C@H](CCC#N)CNC(C)(C)C1CCCCC1 1333000253 MYBKJJOILIUHPL-CYBMUJFWSA-N 236.403 3.875 30 20 BHED C[C@H]1CCC[C@H]([C@H](C)Nc2ccc(C#N)cn2)C1 1559213566 XMMFOUUTLLYQPG-OBJOEFQTSA-N 243.354 3.580 30 20 BHED C#Cc1cccc(N[C@@H](C)c2ccccc2F)c1 19876897 KHWNQKHCUYMZHQ-LBPRGKRZSA-N 239.293 3.980 30 20 BHED CCCCCCCCC(=O)N(C)CC(C)C 105024864 XOIAZIAZIIUDGP-UHFFFAOYSA-N 227.392 3.851 30 20 BHED C=C(C)CNC(=O)[C@H](c1ccccc1)[C@H](C)CC 123066132 WKKIOPKYBUUSAR-HIFRSBDPSA-N 245.366 3.509 30 20 BHED C=C[C@@H](C)NCc1ccc(OCCC(C)C)cc1 123189624 XCFRSAQHTVQKQO-CQSZACIVSA-N 247.382 3.776 30 20 BHED C=C(C)CN[C@@H]1CC2(CCC2)Oc2ccccc21 130776800 ZSJFURBREPXYRI-CQSZACIVSA-N 243.350 3.599 30 20 BHED C=C(Cl)CNCc1ccc2ccccc2c1 131655208 LGCMKTOQZNVMTJ-UHFFFAOYSA-N 231.726 3.682 30 20 BHED C=CCCN1CCC[C@@H]1c1ccc(F)cc1 132448027 LIDIQGICIXLLEX-CQSZACIVSA-N 219.303 3.539 30 20 BHED CC1(C)CCC/C(=C/c2ccc(O)cc2)C1=O 159004985 FVHXSKSFMQGJIO-BENRWUELSA-N 230.307 3.555 30 20 BHED C=C(C)CN(C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 180413969 WPAWRHSKAXLBNR-RBSFLKMASA-N 249.398 3.627 30 20 BHED CCCCCCCCC(=O)N(C)[C@@H](C)CC 220177643 VHZVDZIEZGTYCZ-ZDUSSCGKSA-N 227.392 3.994 30 20 BHED C[C@@H]1C/C(=C\c2cccnc2)C(=O)c2ccccc21 255051193 IXLHVXAUGXHLNG-HLVNSREUSA-N 249.313 3.855 30 20 BHED N#Cc1ccc(N2CC3CCC2CC3)cc1Cl 310127271 JPXUPYGVBFUSHZ-UHFFFAOYSA-N 246.741 3.590 30 20 BHED OC(=Nc1cccc2ocnc12)C1CCCCC1 330020741 AKHYFGFHQRSVPQ-UHFFFAOYSA-N 244.294 3.996 30 20 BHED CC[C@@H]1CCC[C@@H]1Nc1ncc(C#N)cc1Cl 362560065 KCYNZDFVZNJWHM-PWSUYJOCSA-N 249.745 3.597 30 20 BHED C=C(C)CN[C@@]1(c2ccc(Cl)cc2)C[C@H]1C 381464363 KSNOYNBLOAXSBT-RISCZKNCSA-N 235.758 3.741 30 20 BHED CC[C@@H](C)CN(CC)Cc1ccc(C#N)c(F)c1 403991544 DWOJBQUKDKHKKB-GFCCVEGCSA-N 248.345 3.565 30 20 BHED C=CC[C@H](CC)NC(=O)CCCC(C)(C)C 410129773 GOKHASPGPFPCBZ-LBPRGKRZSA-N 225.376 3.674 30 20 BHED C=C(C)CN(C)C[C@H](OC(C)C)c1ccccc1 428318989 NLEZBURSGGSFPY-INIZCTEOSA-N 247.382 3.661 30 20 BHED C[C@H](N[C@@H]1CC[C@@H](C)C1)c1ccc(C#N)c(F)c1 437045187 JQQVLWUIUNPLON-UHIISALHSA-N 246.329 3.537 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 451421218 NYTNYMFGGNGNHF-FQUUOJAGSA-N 237.387 3.530 30 20 BHED CC[C@H](F)CNc1ccc(CC#N)cc1Cl 453123552 HCUDEQPUEBQUQD-JTQLQIEISA-N 240.709 3.566 30 20 BHED C=CC[C@H](C)N[C@@H](C1CCCC1)C1CC1 453142754 KNYLJKYNPGVQLK-FZMZJTMJSA-N 207.361 3.509 30 20 BHED C=CCCCC(=O)N1CC[C@H](CC(C)(C)C)C1 457005653 DEGWLLOASDDKHM-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)CC(C)C 467975886 VSYAJJOMWGUITR-HNNXBMFYSA-N 239.403 3.777 30 20 BHED C=CCC[C@@H](CC)N[C@@H](CCOC)C(C)(C)C 511036329 FRUFZGHZBGINLM-KGLIPLIRSA-N 241.419 3.772 30 20 BHED CCC(C)(C)OCc1ccccc1N[C@@H](C)C#N 544410021 ZWNQHXZOTFFIGZ-LBPRGKRZSA-N 246.354 3.716 30 20 BHED CCN(CC#N)[C@@H](C)c1c(C)cc(C)cc1C 580166170 XZSVLBSNYGAKFB-AWEZNQCLSA-N 230.355 3.518 30 20 BHED C[C@H](CCC#N)CN1CCC[C@@H]1c1ccsc1 602440045 NAHDFTXUPMPEKY-TZMCWYRMSA-N 248.395 3.825 30 20 BHED C=CCC[C@H](C)N[C@H](C)c1cccc(C#N)c1 611386596 PDYZSPOMNKQOSU-QWHCGFSZSA-N 228.339 3.564 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CC(C)(C)C 648373841 DFZBXHROKPVKMC-MELADBBJSA-N 249.398 3.626 30 20 BHED CCCCCCCN[C@H]1CCO[C@H](CC)C1 705951205 FLAAOKISAYPMAI-UONOGXRCSA-N 227.392 3.504 30 20 BHED CC(C)(C)C=NNc1ccc(OC(F)F)cc1 755682655 JPEYQCPZUQFSGL-UHFFFAOYSA-N 242.269 3.732 30 20 BHED CCC/C=C/C(=O)OCCCCC(C)(C)C#N 768598907 RLEYWPXEYAXVEZ-RMKNXTFCSA-N 237.343 3.606 30 20 BHED CC(C)C[C@H]1CCCC(=NN=c2cc[nH]cc2)C1 794532053 ZERBVKFVWUWBBL-CYBMUJFWSA-N 245.370 3.508 30 20 BHED CC[C@@H]1CCCCC1=NNCC1CCCC1 808007064 NUASAMKMKXYQEK-CYBMUJFWSA-N 222.376 3.722 30 20 BHED C#CCON=C1CCC[C@H](C(C)(C)C)CC1 812233154 NLKPMCCDLBNFCJ-LBPRGKRZSA-N 221.344 3.619 30 20 BHED CCCCCCCCN[C@@H](C)c1cncnc1C 848533128 OEXHCXBEABNRNA-ZDUSSCGKSA-N 249.402 3.796 30 20 BHED CCCC(CC)=NNc1ccnc(Cl)c1 853395005 HQNWBKKYRQJVGA-UHFFFAOYSA-N 225.723 3.713 30 20 BHED Fc1cccc(C2CC(=NOCC3CCC3)C2)c1 853439821 RTHZSZHFRHQOJA-UHFFFAOYSA-N 247.313 3.876 30 20 BHED FCCC[C@H]1CCCC1=NOCC1CCC1 853441625 ZHZQHGZVJZPKKM-GFCCVEGCSA-N 227.323 3.709 30 20 BHED CC[C@H](C)CCNc1snc(Cl)c1C#N 853789720 DPECCCUVLQVQEG-ZETCQYMHSA-N 243.763 3.516 30 20 BHED CC(=NNCC(C)C)c1oc2ccccc2c1C 916366168 QLHJHFHONAQMAW-UHFFFAOYSA-N 244.338 3.711 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1cccc(C)c1C 929130858 YINWMGWWXCJBER-ZDUSSCGKSA-N 231.339 3.844 30 20 BHED C=C(Cl)CNC(=O)CCC1CCCCCC1 1293720218 NKYAHERRXNMAOG-UHFFFAOYSA-N 243.778 3.606 30 20 BHED C=CCCC[C@@H](C)NCc1cccn1C1CC1 1330527389 ADCQCUQWLNZCAY-CYBMUJFWSA-N 232.371 3.657 30 20 BHED C=C(C)CCC(=O)N(C)C(C)(C)c1ccccc1 1337274251 IJFDJZZWRGPDCL-UHFFFAOYSA-N 245.366 3.736 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)[C@@H](CC)CCC 1514858270 DUBVBYPMGQZYED-UONOGXRCSA-N 237.387 3.770 30 20 BHED CCCCCCOc1ccc(C#N)cc1F 36886902 WEKBMDBZXSMPBD-UHFFFAOYSA-N 221.275 3.656 30 20 BHED C=CCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 48043336 ZSMJSSCGAJYACW-SMDDNHRTSA-N 231.339 3.553 30 20 BHED N#Cc1cccc(Oc2ccc3ccccc3c2)n1 81620787 FEIUBHOMOBRPIH-UHFFFAOYSA-N 246.269 3.899 30 20 BHED N#Cc1cccc(Oc2ccc(F)c(Cl)c2)n1 81621943 RTABHNHWSZGKIE-UHFFFAOYSA-N 248.644 3.538 30 20 BHED CCN(CCC(C)(C)C#N)C1CCCCC1 87595077 CTCVZVBPHPQOHV-UHFFFAOYSA-N 222.376 3.581 30 20 BHED CC(C)(C#N)CCCN1CCCc2ccccc21 87608437 FPGVKQANEJLTSJ-UHFFFAOYSA-N 242.366 3.769 30 20 BHED CC[C@@H](CC#N)NCc1ccc(CC(C)C)cc1 94896367 MIGFIAXHQNEONP-INIZCTEOSA-N 244.382 3.667 30 20 BHED C=CCCCS[C@H](C)c1nc(C2CC2)no1 117943627 QUSAJCVNIIVBHA-SECBINFHSA-N 238.356 3.707 30 20 BHED C=C[C@@H](C)N[C@H](CC)c1cc(F)ccc1F 122960823 KEJSJTMWAHQSCX-NOZJJQNGSA-N 225.282 3.580 30 20 BHED C[C@H]1CCC[C@H](N(C)Cc2ccc(C#N)s2)C1 130661994 JDBKZHLCFACJGQ-RYUDHWBXSA-N 248.395 3.630 30 20 BHED C=C(C)CCN[C@@H](CC)c1cccs1 168057836 DBUYKZNIMAPJJX-NSHDSACASA-N 209.358 3.755 30 20 BHED CCCCCCCC(=O)NCC(CC)CC 169116664 APBCYHNROYKNMM-UHFFFAOYSA-N 227.392 3.899 30 20 BHED C=CCCCC(=O)N1CCC[C@H]1c1ccccc1 175187948 XLURKIYRQRPWFF-HNNXBMFYSA-N 243.350 3.706 30 20 BHED C=C(C)COc1cccc(N[C@@H]2CCSC2)c1 179623498 YLRCCFHWEHAQTN-CYBMUJFWSA-N 249.379 3.559 30 20 BHED Cc1cc2ccccc2nc1NCCCCC#N 301728451 RCSKDRHPMDYVMP-UHFFFAOYSA-N 239.322 3.649 30 20 BHED C=CCSCc1sccc1Br 307562056 KCBQMFQSSHPLSE-UHFFFAOYSA-N 249.198 3.930 30 20 BHED C=CCCCCCCN[C@@H]1CC[C@@H]1C1CC1 309393864 UYBZYCSYCQTOND-HUUCEWRRSA-N 221.388 3.901 30 20 BHED C=CCCSCc1ncccc1C(F)(F)F 339090955 OCXUQYHGUKWJBP-UHFFFAOYSA-N 247.285 3.910 30 20 BHED C=CC[C@H](CC)N[C@H](CC)c1ccc(C#N)cc1 343507537 OXYQFHFQQXRUKJ-JKSUJKDBSA-N 242.366 3.954 30 20 BHED C=CCCNc1ccc(Cl)cc1OC(F)F 393825300 OUAWOYRMYKGXEV-UHFFFAOYSA-N 247.672 3.929 30 20 BHED C[C@@H](CCC#N)N1CCCC2(CCCCC2)C1 411263182 SMEQJLLHSKQITA-AWEZNQCLSA-N 234.387 3.725 30 20 BHED CSCCCS[C@@H](C#N)C1CCCCC1 413007985 LUWPEAUDDJSSLJ-LBPRGKRZSA-N 243.441 3.945 30 20 BHED CCN(CCC1CC1)[C@@H](C)c1cccc(C#N)c1 442902656 QVNNWXSWSFUOGG-ZDUSSCGKSA-N 242.366 3.741 30 20 BHED C=CC[C@@H](CC)NC(=O)Nc1cccc(CC)c1 466397551 FWLLXBBHOFFOJN-CYBMUJFWSA-N 246.354 3.725 30 20 BHED CC(C)CC(CC(C)C)N[C@H]1CC[C@H](C#N)C1 471581889 RMIHXNCARNNWQZ-KBPBESRZSA-N 236.403 3.729 30 20 BHED CCCN(CCC1CC1)Cc1ccc(C#N)cc1 480508754 IVQXZUBXVYZXTO-UHFFFAOYSA-N 242.366 3.570 30 20 BHED C=CCOc1cccc(CN(C)C2CCCC2)c1 506279823 GQKLBABKMBLKAW-UHFFFAOYSA-N 245.366 3.626 30 20 BHED C=CCN1CC[C@@H](C)Sc2ccccc21 510612433 DIERZSCUYKPIRX-LLVKDONJSA-N 219.353 3.563 30 20 BHED CSCCCSCc1ccc(C#N)s1 514799456 VSLVDXQUPOWPCA-UHFFFAOYSA-N 243.422 3.606 30 20 BHED CC#CCN1CCC[C@H]1c1cccc(Cl)c1 525120729 QOOIQKNPITXGJC-AWEZNQCLSA-N 233.742 3.500 30 20 BHED C=CCC[C@H](C)NC1(c2ccc(F)cc2)CC1 543636473 ZCCOCLOCRYZHQT-LBPRGKRZSA-N 233.330 3.759 30 20 BHED N#C[C@H]1CC[C@@H](N2CCCC3(CCCCC3)C2)C1 566574999 VGQBOKITPNIUGT-LSDHHAIUSA-N 246.398 3.725 30 20 BHED C=CCC(C)(C)c1noc(C2CC3(CCC3)C2)n1 584839039 QTSXBFDIHQBAKG-UHFFFAOYSA-N 246.354 3.971 30 20 BHED CCC(CC)N(Cc1ccccc1C#N)C1CC1 604434787 IWUUSDCEYPQTHD-UHFFFAOYSA-N 242.366 3.711 30 20 BHED C=CCCCN(C)[C@H]1CCCc2ccccc21 605149684 RXGVLAQSFZBLKB-INIZCTEOSA-N 229.367 3.962 30 20 BHED C=CCCC[C@H](C)NCc1ccc(Cl)cn1 703855857 MRCOVIZXBGWMFL-NSHDSACASA-N 238.762 3.569 30 20 BHED Cc1ccc(C)c(NN=Cc2[nH]c(C)cc2C)c1 760232317 ANSDBVYXZXOTAC-UHFFFAOYSA-N 241.338 3.694 30 20 BHED C#CC[C@H](N[C@H]1CC[C@H](C)C1)c1ccccc1 773118332 YZGDPUPFBPFPMK-BPUTZDHNSA-N 227.351 3.529 30 20 BHED COCCC1(C=NOCC(C)C)CCCCC1 780235219 GIIRGAWKJJRSLV-UHFFFAOYSA-N 241.375 3.632 30 20 BHED CC(C)OCCON=Cc1ccc(C(C)C)cc1 782307546 GASOZUMGGZRTJI-UHFFFAOYSA-N 249.354 3.586 30 20 BHED C/C(=C/Cl)CSCc1cccc(C#N)c1 797808926 UHYUDXUJZMSCLA-POHAHGRESA-N 237.755 3.934 30 20 BHED C/C(=C/Cl)CSCc1ccccc1C#N 797809456 HBBGEGMPPJCCBX-POHAHGRESA-N 237.755 3.934 30 20 BHED Cc1cc(F)ccc1NN=Cc1ccsc1C 814884903 DBZGIKSNDZGQPK-UHFFFAOYSA-N 248.326 3.950 30 20 BHED CC1(CNN=C2CC[C@@H]2C2CCC2)CCCC1 814937517 JINHANACECFEKZ-CYBMUJFWSA-N 234.387 3.722 30 20 BHED C=CCCCC[C@@H](C)N[C@H](C)c1ccc[nH]1 824050841 MDQAOJXEJGKBOY-CHWSQXEVSA-N 220.360 3.800 30 20 BHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@]1(C)CC=CCC1 851206184 PCWPLOVBPRHJHU-SWLSCSKDSA-N 249.354 3.604 30 20 BHED C=C[C@H](CC)Cc1nc([C@H](C)SCC)no1 904023438 QWKAIOAPEIOARQ-VHSXEESVSA-N 240.372 3.638 30 20 BHED CC1(C)CCCN(CCCC2CCC2)[C@@H]1C#N 1307747912 XAEWBCZLTCFYCN-CQSZACIVSA-N 234.387 3.581 30 20 BHED CC[C@H]1CCC[C@@H](Nc2cc(C)c(C#N)cn2)C1 1639501515 HUTLLBOEDOMMRN-GXTWGEPZSA-N 243.354 3.642 30 20 BHED Cc1cccc2c(C#N)cn(Cc3ccccc3)c12 84874560 LLSHCSIOFNGWCF-UHFFFAOYSA-N 246.313 3.870 30 20 BHED C=C(C)[C@@H](NCCC)c1ccc(F)c(F)c1 86026057 YGOBRIBQYFTTHL-CYBMUJFWSA-N 225.282 3.582 30 20 BHED C=CCC[C@@H](C)Nc1cc(F)cc(F)c1 96034355 NUWZETDFECTIQV-SECBINFHSA-N 211.255 3.731 30 20 BHED Cc1ccc([C@@H](C)N(C)CCCCC#N)cc1 102397422 DRJVHCBGQDDKRZ-CQSZACIVSA-N 230.355 3.682 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cc(C)c(F)c(C)c1 122994535 SECWLSYAQHYZJT-VXGBXAGGSA-N 221.319 3.668 30 20 BHED C=CCN(Cc1ccccc1)C(=O)/C(C)=C\CC 131198117 PVBXJYBWKODRAY-ZROIWOOFSA-N 243.350 3.558 30 20 BHED CC[C@H](CC#N)N[C@@H](C)CCc1ccc(C)cc1 136960240 UKOPBXCMVFHZOR-GOEBONIOSA-N 244.382 3.598 30 20 BHED CC#CCCNC1CC(c2ccccc2Cl)C1 158333160 NESJIUPITRAXJN-UHFFFAOYSA-N 247.769 3.589 30 20 BHED C=CCCC[C@H](C)NC(=O)C(C)(CC)CC 159446274 GDLBONAEWUHTAH-LBPRGKRZSA-N 225.376 3.674 30 20 BHED CC#CCSCc1coc(-c2cccs2)n1 166616288 DMHCDWYKFKMZDV-UHFFFAOYSA-N 249.360 3.660 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCCOc2cc(C)ccc21 180951988 OBYXJRYSUICDSJ-UKRRQHHQSA-N 245.366 3.763 30 20 BHED C=C(C)CN(C)Cc1ccc(C(F)F)cc1 183994638 HHGQPIWWFAQAFM-UHFFFAOYSA-N 225.282 3.632 30 20 BHED CCOc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 185721611 GKUCLQJPDUTWNM-GXTWGEPZSA-N 244.338 3.580 30 20 BHED C=C[C@](C)(CC)C(=O)NCCC1=CCCCC1 189885178 GPAHIVGWDNDEKU-OAHLLOKOSA-N 235.371 3.595 30 20 BHED C=CCCN[C@@H]1CCC[C@@H]1Cc1ccccc1 191889725 KMDDAFDXGHHMSC-HZPDHXFCSA-N 229.367 3.564 30 20 BHED C[C@H](N[C@H]1CCC[C@@H](C#N)C1)C1CCCCC1 248863435 PWYOCNNMPFSNNQ-GUTXKFCHSA-N 234.387 3.627 30 20 BHED Cc1cc(F)ccc1/C=C\C(=O)c1occc1C 255840206 ALZLXDGUNXTJMQ-XQRVVYSFSA-N 244.265 3.932 30 20 BHED C[C@@H]1CN(CCC(C)(C)C#N)[C@H]1c1ccccc1 272012618 KVXNZQQVPAQLLY-UKRRQHHQSA-N 242.366 3.619 30 20 BHED CC[C@H](NCCCC#N)c1ccc(Cl)s1 273191501 GXERXBIRFKFIPB-VIFPVBQESA-N 242.775 3.746 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(SC)cc1 294286871 FSBOUOWUCBRENZ-UHFFFAOYSA-N 235.352 3.559 30 20 BHED C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)c1ccccc1 295349574 QGGNRJIETSWYQJ-QWHCGFSZSA-N 245.366 3.507 30 20 BHED C[C@H]1CCC[C@H](Nc2ccc(Cl)c(C#N)n2)C1 301151198 AFFGNKHMDOVVIN-UWVGGRQHSA-N 249.745 3.597 30 20 BHED C=C(C)CN1C[C@@H](c2ccccc2C)C[C@H]1C 303805301 XTDVIUBRCIZCAU-CABCVRRESA-N 229.367 3.749 30 20 BHED C=C[C@H](C)N[C@H]1CC(C)(C)c2ccccc21 309507387 WHRPLHJMXXCQAK-FZMZJTMJSA-N 215.340 3.573 30 20 BHED N#CC1(CN2CCCC3(CCCCC3)CC2)CC1 346670420 UVMLUJYTGLJSJS-UHFFFAOYSA-N 246.398 3.727 30 20 BHED C=CCCC1(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)CC1 361528356 VTKGTPDSRVIIHX-UONOGXRCSA-N 249.398 3.770 30 20 BHED C#CCCCCC(=O)N1CCCC12CCCCC2 367414069 YWEFJXLSTLYPCN-UHFFFAOYSA-N 247.382 3.505 30 20 BHED C=CC[C@H](CC)Nc1cccc(Cl)n1 379600501 KXWFKBVPZRTDKL-VIFPVBQESA-N 210.708 3.502 30 20 BHED C=C(C)CCN[C@@H](C)[C@@H]1CC2CCC1CC2 381925944 OWIFAVDOYTVXTI-PPWQZUPISA-N 221.388 3.757 30 20 BHED C=C(C)CCN[C@@H](C)CCc1ccc(OC)cc1 386781054 MHHNTDUJTOSLDL-AWEZNQCLSA-N 247.382 3.572 30 20 BHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 424131884 VSBRGSYOUDXVEW-UHIISALHSA-N 248.757 3.683 30 20 BHED CC#CCCN1C[C@@H](C)C[C@H]1c1cccc(F)c1 462322854 QZLHVTUNMBSRTP-BBRMVZONSA-N 245.341 3.622 30 20 BHED CC#CCCSCCCc1ccccc1 462370206 BHTWMPRRHIBNJF-UHFFFAOYSA-N 218.365 3.766 30 20 BHED CC#CCCCC(=O)N1CCC[C@@H]1CCCCC 466429380 XVUURWZNWOARFF-HNNXBMFYSA-N 249.398 3.751 30 20 BHED C=C(CC)CN(C)[C@H](C)c1c(F)cccc1F 538002047 IHZIMZCEHQLURW-LLVKDONJSA-N 239.309 3.924 30 20 BHED C[C@@H]1CC[C@@H](Sc2cccc(C#N)c2)C1 540923436 BXDNGEHQVHUINO-ZWNOBZJWSA-N 217.337 3.839 30 20 BHED CCOc1ccc(C#N)cc1N[C@@H]1CCC[C@@H]1C 543624416 NVPZNJYKHIKWKV-WCQYABFASA-N 244.338 3.557 30 20 BHED C=CCC(C)(C)c1noc(C(CC)CC)n1 560008171 FILDXGDOSAYBJX-UHFFFAOYSA-N 222.332 3.827 30 20 BHED C=CCC[C@@H](C)NCc1ccc(CSC)cc1 560585045 PLISKFPDJIBOMJ-CYBMUJFWSA-N 249.423 3.994 30 20 BHED C=CCCNc1cnn(CCCC)c1C(C)C 577908201 IVILUPHEJKZBAD-UHFFFAOYSA-N 235.375 3.795 30 20 BHED Cc1occc1SCC(C)(C)CC#N 581201796 GWGWSJPSDRLVSW-UHFFFAOYSA-N 209.314 3.620 30 20 BHED C[C@@H]1CCCCC[C@@H]1NCC1CCC(C#N)CC1 593626257 RJFGNNSIUYTOOC-LMPOIIKSSA-N 248.414 3.875 30 20 BHED Cc1cc(C#N)ccc1CNC(C(C)C)C(C)C 614407410 QAXRUXCCFDXFRN-UHFFFAOYSA-N 244.382 3.637 30 20 BHED CCCNN=C(C)c1cccc(Cl)c1Cl 734979933 LWGMXKJANDEGCZ-UHFFFAOYSA-N 245.153 3.717 30 20 BHED C=CCCN1CCC[C@@H]1c1ccc(F)c(F)c1 739915506 PWPBEYVONNMPAG-CQSZACIVSA-N 237.293 3.678 30 20 BHED CC[C@H](C)C[C@H](C)/N=C\c1cccc(OC)c1O 743043020 PKQWOANQEAXMJO-MJQZAILXSA-N 249.354 3.644 30 20 BHED CC(C)CON=C[C@H](C)CCc1ccccc1 749632428 XRFOHZCJAWCVHF-CQSZACIVSA-N 233.355 3.914 30 20 BHED C=CCC(CC=C)C(=O)OCC/C=C\CC 758515211 XYATYLRKGIXRJG-FPLPWBNLSA-N 222.328 3.654 30 20 BHED CC(C(=O)OCCCC(C)(C)C#N)=C1CCCC1 784072294 VPZALTZCXOVHKW-UHFFFAOYSA-N 249.354 3.750 30 20 BHED C=CCCCOC(=O)c1csc(Cl)c1 786349907 OSHORPBTECSTJE-UHFFFAOYSA-N 230.716 3.525 30 20 BHED C=CCCCCCCCCNC(=O)C1CCC1 805277789 JFOYXIFMUHTRMO-UHFFFAOYSA-N 237.387 3.819 30 20 BHED CC(=NOC/C=C\Cl)c1ccc(C)c(C)c1 811672160 RRKVJKNSWDBXJA-OIUWJUBLSA-N 237.730 3.797 30 20 BHED Cc1cc2ccccc2nc1NN=C1CC(C)C1 814895003 UJFFPVISSYLYLT-UHFFFAOYSA-N 239.322 3.741 30 20 BHED CCC(=NOCc1ccccc1OC)[C@H]1C[C@@H]1C 841636338 KNPWOXRJTPHBFB-AAEUAGOBSA-N 247.338 3.634 30 20 BHED FC(F)(F)CON=C1CCC(=C2CCC2)CC1 853321102 KAWRLECYWRHJQS-UHFFFAOYSA-N 247.260 3.976 30 20 BHED FC(F)(F)[C@H]1CCC[C@@H](C=NOCC2CC2)C1 853348940 NHUMTCPJKDRJBL-MNOVXSKESA-N 249.276 3.768 30 20 BHED CCCCCCC[C@@H](C)CNC(=O)C1CC1 917873189 WCXJDJJOIWRJDA-GFCCVEGCSA-N 225.376 3.509 30 20 BHED CC(=NNc1cccc(F)c1)c1ccc(C)o1 920384618 ZPPKTTHEAGHQNB-UHFFFAOYSA-N 232.258 3.563 30 20 BHED CCN(CCC1C[C@H](C)C[C@@H](C)C1)[C@@H](C)C#N 1174855209 ZDDYHHURAJDABU-MCIONIFRSA-N 236.403 3.683 30 20 BHED C=CCC[C@H]1CCCN1C(=O)c1ccc(C)cc1 1336217740 OADHUHUYQREHCP-HNNXBMFYSA-N 243.350 3.566 30 20 BHED CC1CCC(=NNc2cccc([N+](=O)[O-])c2)CC1 7950174 SBZVCQKEWSGYNZ-UHFFFAOYSA-N 247.298 3.573 30 20 BHED C=CCN[C@H](C)c1cc(F)c(Cl)cc1Cl 35045294 FWOSRRUKBZMKLJ-SSDOTTSWSA-N 248.128 3.969 30 20 BHED C[C@@H]1CCCC[C@H]1Nc1cccc(OCC#N)c1 37069509 ABQHTOJBAXGDRF-IUODEOHRSA-N 244.338 3.580 30 20 BHED N#CCCCCSc1ccc(F)cc1F 42210192 CVYWKSMRUDWTOY-UHFFFAOYSA-N 227.279 3.751 30 20 BHED N#CCC1(CNc2ccc(F)cc2Cl)CC1 83853735 IIRFFVDSFAPONZ-UHFFFAOYSA-N 238.693 3.585 30 20 BHED C[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2)CC1 86887792 LAXDFBPMXQHUFH-CZUORRHYSA-N 242.366 3.617 30 20 BHED C=CC[C@H](C)N[C@@H](CC)c1ccccc1 116907922 CGVMOXMLCCTAGA-JSGCOSHPSA-N 203.329 3.692 30 20 BHED C=CCC[C@@H](Nc1cc(C)ccn1)C1CC1 134072599 YIEZKPKFJNPNDZ-CYBMUJFWSA-N 216.328 3.547 30 20 BHED C=C(C)CN[C@H]1CCCC[C@@H]1C(C)(C)C 160633881 BZXSEIXRMRLHJY-STQMWFEESA-N 209.377 3.757 30 20 BHED N#CCCCN[C@@H](CC1CCC1)c1ccccc1 181353898 UPPWSXSHSHOSHJ-INIZCTEOSA-N 242.366 3.811 30 20 BHED C[C@H](C#N)Oc1ccccc1N[C@H]1CCC[C@H]1C 272577837 QABYNWBNRCQTIP-UPJWGTAASA-N 244.338 3.578 30 20 BHED C=CCC[C@H](Nc1ncccn1)c1ccccc1 301774909 KSRONXWCPAVXNM-AWEZNQCLSA-N 239.322 3.596 30 20 BHED C=CCCC[C@@H](C)Nc1nnc(C2CC2)s1 302045124 XTLHAPJRSOPHSC-SECBINFHSA-N 237.372 3.572 30 20 BHED CC1(C)CCC(SCCCC#N)CC1 344633767 QVAQBOPMJCBKBP-UHFFFAOYSA-N 211.374 3.992 30 20 BHED C=C(Cl)CN[C@@H](CC)[C@@H](C)CCC 379377471 XTKQMJRRRSWBIU-ONGXEEELSA-N 203.757 3.543 30 20 BHED CSc1ccccc1CSCCC#N 413013499 OHFAXUQARYXAAF-UHFFFAOYSA-N 223.366 3.555 30 20 BHED C=CCOCCS[C@H](C)c1ccc(C#N)cc1 419421570 LOTIECFVDUGVGT-GFCCVEGCSA-N 247.363 3.555 30 20 BHED C=CCC(C)(C)c1noc(C[C@@H]2CC[C@H]3C[C@@H]23)n1 453190211 SVXSRJWFJVXUMC-SDDRHHMPSA-N 246.354 3.512 30 20 BHED C=C(C)CCNC(=O)Nc1c(C)cccc1CC 454138844 APISKGKZPGXJGP-UHFFFAOYSA-N 246.354 3.645 30 20 BHED CC#CCSCc1ccc(OC(F)F)cc1 464087692 BVLWMCOYFUQFHE-UHFFFAOYSA-N 242.290 3.545 30 20 BHED CC#CCCCC(=O)N(CCCC)[C@H](C)CC 464549295 ZVAATBWNEVCJOX-CQSZACIVSA-N 237.387 3.607 30 20 BHED C=CCC[C@@H](C)Nc1cccc2ccn(C)c12 471758082 KZGVVAOLRKZHOY-GFCCVEGCSA-N 228.339 3.945 30 20 BHED C=C(C)CSCc1cc(F)ccc1F 511012949 KJVDWYHFEQJQJH-UHFFFAOYSA-N 214.280 3.774 30 20 BHED C=CCCCN1CCC(c2ccccc2F)CC1 523018908 BMHORRRXJBFPSZ-UHFFFAOYSA-N 247.357 3.971 30 20 BHED C=CCCCc1nc(-c2ccccc2CC)no1 545033455 ITDITCDBCCDVSW-UHFFFAOYSA-N 242.322 3.808 30 20 BHED CC(C)(C#N)CCN1CC[C@H]1c1cccc(F)c1 611462666 LGQIXXZZKZDYQK-AWEZNQCLSA-N 246.329 3.512 30 20 BHED C=CCCCCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 681144939 FNRUKIOSYWLJPM-ZIAGYGMSSA-N 249.398 3.697 30 20 BHED C#CCN(CC)Cc1csc(Cl)c1Cl 762997859 WXKDAGSVNNSTKM-UHFFFAOYSA-N 248.178 3.510 30 20 BHED N#CCCNC1CCC(C2CCCCC2)CC1 787300150 FXZPTBSJTSETGP-UHFFFAOYSA-N 234.387 3.629 30 20 BHED C=C(C)CN(CCCC)Cc1ccccc1O 801594692 KXDIYEMRPUPSCR-UHFFFAOYSA-N 233.355 3.570 30 20 BHED CC1=CCC[C@H](C)[C@@H]1C=NOC/C=C/Cl 811669216 YFIQPLAPNFUFFQ-KIXALXMNSA-N 227.735 3.734 30 20 BHED Cc1ccc(C=NNc2ccccc2F)c(C)c1 812459445 ZUMHPGGDNMSFML-UHFFFAOYSA-N 242.297 3.889 30 20 BHED CCC1(C)CCC(=NOCC2CC2)CC1 814243557 CESCPWQAGKTOCX-UHFFFAOYSA-N 209.333 3.759 30 20 BHED Fc1cccc(F)c1NN=C1CCC[C@@H]2C[C@H]12 841625171 DYTCUFUAXMKABF-BDAKNGLRSA-N 236.265 3.553 30 20 BHED CC(C)(C#N)CCSCC=C(Cl)Cl 853774565 UKFCDXLEICXVAZ-UHFFFAOYSA-N 238.183 3.978 30 20 BHED CCCCCCCCCNC(=O)C1CCC1 891519008 KPEXKSUHCMBGNT-UHFFFAOYSA-N 225.376 3.653 30 20 BHED C=C(CC)C(=O)N1CC[C@H]1c1ccc(Cl)cc1 1123737211 SDNBEHZGFCZDFD-ZDUSSCGKSA-N 249.741 3.580 30 20 BHED C=C(C)CCC(=O)N(Cc1cccs1)C1CC1 1353458254 ONAKWYGQGZANRR-UHFFFAOYSA-N 249.379 3.595 30 20 BHED C[C@H](CC1CCCCC1)CN1CCC[C@@H](C#N)C1 1561003975 OCKFSYHRXVCVDY-ZBFHGGJFSA-N 248.414 3.828 30 20 BHED Cc1cc(CNc2ccc(C#N)cc2)ccc1F 49957170 UBEKPBJYULBJGT-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=CCN(Cc1cccc(Cl)c1)C(C)C 61255048 CYKWTYCBNHAJPM-UHFFFAOYSA-N 223.747 3.736 30 20 BHED CCC1CCC(CNc2ccnc(C#N)c2)CC1 61811752 NIJOXSYKLDINES-UHFFFAOYSA-N 243.354 3.582 30 20 BHED Cc1ccc(C#N)c(Sc2cccc(F)c2)n1 94623102 KGQALZWUBMBLRJ-UHFFFAOYSA-N 244.294 3.552 30 20 BHED CC(C)=C1C[C@@H]2O[C@@]2(C)CC/C=C(\C)CC1=O 103555391 DWGVRYKQVZGSIB-NCKTXVJMSA-N 234.339 3.570 30 20 BHED biogenic,in-vitro C[C@H](NCC(C)(C)C#N)c1cc2ccccc2o1 122232969 JNNPZKXFUZUIQD-NSHDSACASA-N 242.322 3.633 30 20 BHED CCCCCCCN(C)CCc1ccccn1 153075960 BNUVZVOMFRDODS-UHFFFAOYSA-N 234.387 3.526 30 20 BHED C=CCCCC(=O)Nc1ccc(CC)cc1 175112286 QIPUNHFBWVJZIA-UHFFFAOYSA-N 217.312 3.544 30 20 BHED C#CCCCC(=O)N(C)c1ccc(C(C)C)cc1 190395026 IDXFCGKGLNYXEP-UHFFFAOYSA-N 243.350 3.576 30 20 BHED CC(C)[C@H](C)SCc1ccc(F)c(C#N)c1 229754359 NIAYQCLKAUJJBF-JTQLQIEISA-N 237.343 3.975 30 20 BHED CC[C@@H](NC1CCCC1)c1ccc(C#N)cc1 278336617 WYQIDBWVKZURKY-OAHLLOKOSA-N 228.339 3.542 30 20 BHED C=CCCC[C@@H](C)Nc1cc(CC)nc(C)n1 302124459 ZEWYZVFINSTRMH-LLVKDONJSA-N 233.359 3.504 30 20 BHED C=CCCSc1cc(F)ccc1F 308423312 UTBZEFLVTUSJQX-UHFFFAOYSA-N 200.253 3.633 30 20 BHED C=CCCCCCSC[C@H](C)OC 308497548 USUVUTHXRSTGOQ-NSHDSACASA-N 202.363 3.501 30 20 BHED CC(C)(C)[C@H]1CCCN1Cc1cc(C#N)cs1 353457583 ZTRNQSYPWYRHGB-CYBMUJFWSA-N 248.395 3.630 30 20 BHED CC(C)(CCC#N)CN1CCC[C@H]2CCCC[C@@H]21 353839743 BDERLCXZLZQNJH-CABCVRRESA-N 248.414 3.971 30 20 BHED C=C(C)CCN[C@@H](CCCC)C1CCC1 389929234 YTYCKJPDGHRUFX-AWEZNQCLSA-N 209.377 3.901 30 20 BHED C=C(Cl)CSCc1ccc(F)cc1 393591849 UNERAAMIRBVFDU-UHFFFAOYSA-N 216.708 3.811 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc(F)c(F)c1 429936493 AHILPPOIJONTRO-UHFFFAOYSA-N 239.265 3.506 30 20 BHED C=CCCCC[C@H](C)NC[C@@H]1CCCSC1 449332831 SUEPTCRHPCEXNR-KBPBESRZSA-N 241.444 3.854 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)CC(C)(C)C 457186389 DQZQQDJGOBBSTG-FZMZJTMJSA-N 225.376 3.530 30 20 BHED CC(C)[C@H]1CCC[C@H](NCC(C)(C)CC#N)C1 459738968 YOCSNXMQMLPONP-KBPBESRZSA-N 236.403 3.731 30 20 BHED C=CCC1(C(=O)N(C)[C@@H](C)CCC)CCCC1 460011342 SPBFXUOWEBGKOG-ZDUSSCGKSA-N 237.387 3.770 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc(C)c(C)c1 467511293 CKJLXDYPVIKOOC-OAHLLOKOSA-N 231.339 3.844 30 20 BHED C=CCCCN(CC)c1ccc2[nH]ccc2c1 472175174 CKZPNUHOWUSVCN-UHFFFAOYSA-N 228.339 3.960 30 20 BHED C=CCCC(=O)N1CCC[C@@H]1CCCCC 489301755 SFOJNBBTSUWLJD-ZDUSSCGKSA-N 223.360 3.524 30 20 BHED C=C(CC)CN(C)[C@H](C)c1ccccc1F 536905686 VCWJPKYBASIJOG-GFCCVEGCSA-N 221.319 3.785 30 20 BHED C[C@@H](CC#N)NCc1ccc(C2CCCC2)cc1 589734201 WSTZLGIZSBACCK-ZDUSSCGKSA-N 242.366 3.736 30 20 BHED C=CCCSC[C@H](OC)c1ccc(F)cc1 600623898 SQPVARAOMCBDEP-ZDUSSCGKSA-N 240.343 3.823 30 20 BHED Cc1cc(C)c(/C=C/CNCCCC#N)c(C)c1 601113381 LXEYOTQAYXTJAU-VOTSOKGWSA-N 242.366 3.518 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 626370085 AVMXDUYGEXIRKV-HOSILWTGSA-N 249.398 3.674 30 20 BHED C=CC[C@@H]1CCCC[C@H]1NCCCCCOC 657860158 CFHLBSGQUULVCP-HUUCEWRRSA-N 239.403 3.528 30 20 BHED C=CCCCCCCN[C@@H](C)C[C@H]1CCOC1 689825128 AIBABAPJKRYEER-LSDHHAIUSA-N 239.403 3.528 30 20 BHED CCCCCCCN[C@@H](C)c1ccc(F)cn1 705896575 PJHSUINTGUCFJG-LBPRGKRZSA-N 238.350 3.842 30 20 BHED C=CCCC(=O)O[C@H](C)c1cc(F)ccc1F 726654083 KCLWYGMAAYILON-SECBINFHSA-N 240.249 3.535 30 20 BHED C=C(Cl)CN(C1CC1)[C@H](C)[C@@H](C)CC 729544221 BOKJFGHVLGIBAP-GXSJLCMTSA-N 215.768 3.638 30 20 BHED N#Cc1cccc(NCC2CCCCCCC2)n1 736285525 KCQZHEDBSRSAKC-UHFFFAOYSA-N 243.354 3.726 30 20 BHED COc1ccc(NN=Cc2sccc2C)cc1 750921286 FWGNHSUVRFFKRS-UHFFFAOYSA-N 246.335 3.511 30 20 BHED COc1ccc(NN=C(C)CCC(C)C)cc1 750921462 KAHYEWCVQYSIMW-UHFFFAOYSA-N 234.343 3.919 30 20 BHED CC1(C)CCC/C(=C\c2ccc(Cl)nc2)C1=O 757534980 PSQWGVJUGLQPLO-DHZHZOJOSA-N 249.741 3.898 30 20 BHED Cc1ccnc(NN=C2CCCCC2(C)C)c1 757584959 UNLHFIRCYOTMOP-UHFFFAOYSA-N 231.343 3.758 30 20 BHED CCCCCCCCCN(C)C(=O)C1(C)CC1 760385223 VWRWEACIKVBPHZ-UHFFFAOYSA-N 239.403 3.996 30 20 BHED CCCCCCC[S@@](=O)C[C@H](C)CC 764562133 FNNYGBZVROXWAN-TZMCWYRMSA-N 218.406 3.752 30 20 BHED C=CCN(C(=O)[C@@H](C)CCCCCC)C1CC1 771819935 YLPWCIMRPYRRKK-ZDUSSCGKSA-N 237.387 3.770 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@H](C)c1ccc(C)o1 775922915 FVTHNQFVJYZPJQ-DGCLKSJQSA-N 249.354 3.553 30 20 BHED CC[C@@H]1CCCCC1=NN[C@@H](C)C(C)(C)C 793114045 JAFYDXUVTKYOAN-NWDGAFQWSA-N 224.392 3.967 30 20 BHED C#CCCCCCC(=O)N(C)[C@H]1CCC(C)(C)C1 794274019 KDIKXBDJRWZLKM-AWEZNQCLSA-N 249.398 3.607 30 20 BHED C=CCC(C)(C)C(=O)OCc1ccccc1C 796461299 DRDPJHLIGRFPQY-UHFFFAOYSA-N 232.323 3.641 30 20 BHED C[C@H]1CC[C@@H](C=NOCc2ccccc2)C1 800810326 OXCNJDPZKXLIAW-GXTWGEPZSA-N 217.312 3.625 30 20 BHED C#CC[C@H](N[C@H]1CC[C@H]1CC)c1ccccc1 806148980 NDHYGNZIJIBXGA-KBMXLJTQSA-N 227.351 3.529 30 20 BHED CCCCCCCCCNC(=O)C(C)(F)F 808455884 WLGVREWCYUDHCA-UHFFFAOYSA-N 235.318 3.508 30 20 BHED Cl/C=C\CON=CCc1cccc(Cl)c1 811672092 POIGGYHHMRZVGN-BKYKNLAYSA-N 244.121 3.637 30 20 BHED CCc1ccc(C(C)=NOC/C=C/Cl)s1 811672217 TYKOIJPFGLBGMR-KVAYVBLJSA-N 243.759 3.804 30 20 BHED CC[C@H]1CC[C@H](C)CC1=NOCCOC(C)C 812237690 KBLXLBFYQZIONM-STQMWFEESA-N 241.375 3.630 30 20 BHED CCCCCCCC(=O)Nc1c(C)ccnc1C 813371730 GQLITFXVUOFHLF-UHFFFAOYSA-N 248.370 3.997 30 20 BHED Cc1c(NN=CCCC(C)C)cccc1[N+](=O)[O-] 814834023 OGMXWXWDDXSRHZ-UHFFFAOYSA-N 249.314 3.737 30 20 BHED C=C[C@@H](OC(=O)C1CCCC1)c1ccccc1 851454314 ZXNQBOWCPLSRIN-CQSZACIVSA-N 230.307 3.647 30 20 BHED CC(C)ON=C[C@@H]1CCC[C@H](C(F)(F)F)C1 853353634 IAKNVINRBWQBSR-ZJUUUORDSA-N 237.265 3.766 30 20 BHED CCCCCCCCCN(C)C(=S)NCC 918723720 UUMUDNXJMAGXMV-UHFFFAOYSA-N 244.448 3.563 30 20 BHED FC(F)(F)[C@H]1CCC[C@H](C=NOC2CCC2)C1 1333709415 ZFTROIXOVQVKED-UWVGGRQHSA-N 249.276 3.910 30 20 BHED C=CCC[C@H](C)OC(=O)/C=C(\C)c1ccco1 1347230861 JEBOAHIRDFGJDM-IIANPFDCSA-N 234.295 3.581 30 20 BHED C=C(Cl)CN[C@H]1CC[C@H](CCC(C)C)C1 1650315911 RUDQMYHZPRURCS-STQMWFEESA-N 229.795 3.933 30 20 BHED CC[C@H](CC#N)N[C@@H](C)c1c(C)cc(C)cc1C 54182995 URSFVERZCRJBGU-LSDHHAIUSA-N 244.382 3.955 30 20 BHED CCC1(C)CCN(c2ccc(C#N)cc2)CC1 60941575 QZRZCZUMAPGDOD-UHFFFAOYSA-N 228.339 3.575 30 20 BHED C#CCCN[C@@H](C)c1cccc2ccccc12 70197439 LXFXJOOAJXBUFY-ZDUSSCGKSA-N 223.319 3.514 30 20 BHED C[C@@H]1CCC[C@@H](N(C)c2ccc(F)cc2C#N)C1 111036232 HWYSRLMNZIEMSM-BXUZGUMPSA-N 246.329 3.712 30 20 BHED C=CCCCN(CC=C)Cc1cccc(C#N)c1 117875126 RVEWUJPZRORIOJ-UHFFFAOYSA-N 240.350 3.512 30 20 BHED C=CCSCCN[C@@H](CC)c1ccccc1 129351635 FTUFPCPLAXFUDC-AWEZNQCLSA-N 235.396 3.647 30 20 BHED C=CCC[C@@H](NC(=O)[C@H](C)CC)c1ccccc1 133937458 CNYFBXLWPNRXCY-UKRRQHHQSA-N 245.366 3.856 30 20 BHED C=C(C)CCOc1ccc2ccccc2c1C=O 160144290 ZQPUMFUAOZNBQC-UHFFFAOYSA-N 240.302 3.997 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc(CC)cc1 161670075 DLFGMJGZSDWATA-QWHCGFSZSA-N 217.356 3.864 30 20 BHED C=CCCN[C@@H](CC(F)(F)F)c1ccccc1 163923834 ZDXSTGUYRCPXPE-LBPRGKRZSA-N 243.272 3.846 30 20 BHED C#CCCCN[C@@H]1CC[C@@H](C)c2ccccc21 178059265 GBVOPKWATWZANQ-CZUORRHYSA-N 227.351 3.628 30 20 BHED Cc1cncc(C(=O)/C=C/c2sccc2C)c1 184773385 MLTOWBCJWNUVOW-ONEGZZNKSA-N 243.331 3.656 30 20 BHED C[C@@H](c1cccc(C#N)c1)N1C[C@H](C)C[C@@H](C)C1 189343910 DEYMRNOTCBLISD-MCIONIFRSA-N 242.366 3.597 30 20 BHED CC1CCC(Nc2nccc(C#N)c2Cl)CC1 232817552 LQZCCEATARBLFK-UHFFFAOYSA-N 249.745 3.597 30 20 BHED C[C@H]1CCCN(CCCCC(C)(C)C#N)CC1 235542263 XJSSSPHLSLSOKA-AWEZNQCLSA-N 236.403 3.828 30 20 BHED N#Cc1cccc(C#N)c1SC1CCCCC1 302864705 XPOATRUCOYPYOY-UHFFFAOYSA-N 242.347 3.855 30 20 BHED N#Cc1ccc(Cl)cc1N[C@@H]1CC[C@@H](F)C1 309576801 PATVPJVPOBZJAD-GHMZBOCLSA-N 238.693 3.514 30 20 BHED C=CCC(C)(C)CNCc1cc(C)ccc1OC 311126100 AYAXFYNZHKZNKU-UHFFFAOYSA-N 247.382 3.696 30 20 BHED CC[C@@H](Nc1ccc(OCC#N)cc1)C1CCC1 322591464 WNXKMBKZRNNTFY-OAHLLOKOSA-N 244.338 3.580 30 20 BHED N#Cc1cccc(SCCCCCF)c1 340694188 CYZQOYNULRLBLI-UHFFFAOYSA-N 223.316 3.790 30 20 BHED C=CCCSCc1c(C)cc(C)nc1OC 341934073 TWPQBBQBQOXGKL-UHFFFAOYSA-N 237.368 3.516 30 20 BHED Cc1ccc(C#N)cc1OCCSC(C)(C)C 379735457 GABRLULXNWCPPL-UHFFFAOYSA-N 249.379 3.777 30 20 BHED C=C[C@H](C)N[C@H]1CCCc2ccc(Cl)cc21 390415225 GWFRNPFDVKYOHJ-HZMBPMFUSA-N 235.758 3.882 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccccc1OC 393753935 GOSDFSZEBIPTNN-OLZOCXBDSA-N 233.355 3.701 30 20 BHED Cc1ccc(CSCCCC#N)c(C)c1 419633851 HLCWVGZWVOGQSY-UHFFFAOYSA-N 219.353 3.840 30 20 BHED CC(C)CC(CC(C)C)N[C@@H]1CC[C@H](C#N)C1 424330913 RMIHXNCARNNWQZ-UONOGXRCSA-N 236.403 3.729 30 20 BHED C=C(C)[C@H]1OCC[C@H]1CNC(CCC)CCC 436302408 UKRCFBBCKIMMLB-DZGCQCFKSA-N 239.403 3.526 30 20 BHED C=CCc1cc(C)cc(OC)c1OCCC#CC 438328167 MUNRXOSMTXWDOI-UHFFFAOYSA-N 244.334 3.524 30 20 BHED C=C(CC)CN[C@H]1CCC[C@H]1c1ccccc1 446001318 JQPVARLLNUEFAC-HOTGVXAUSA-N 229.367 3.879 30 20 BHED C=CC[C@H](C)N[C@H](C1CCCC1)C1CC1 453142756 KNYLJKYNPGVQLK-SMDDNHRTSA-N 207.361 3.509 30 20 BHED C=C(C)CCN[C@H](C)c1nccc2ccccc12 453313203 HSTYFRLTHLXWII-CYBMUJFWSA-N 240.350 3.852 30 20 BHED C=C(C)CCN1CCc2sccc2[C@H]1C 509804377 JCSLJJIGIAGPDV-LLVKDONJSA-N 221.369 3.633 30 20 BHED C=CCSCCOc1cccc(Cl)c1 522282929 CBWLYMINRWMIEO-UHFFFAOYSA-N 228.744 3.638 30 20 BHED Cc1c(Cl)cccc1OCC1(CC#N)CC1 530180891 DLFFTYSAUKCPHI-UHFFFAOYSA-N 235.714 3.721 30 20 BHED Cc1cc(F)ccc1CON=Cc1cccs1 588426161 CHYUMEHOAXUXBD-UHFFFAOYSA-N 249.310 3.746 30 20 BHED N#C[C@@H]1CC[C@H](N2CCC(C3CCCC3)CC2)C1 590162095 LXPRMQFSZAHITO-CJNGLKHVSA-N 246.398 3.581 30 20 BHED C=CCCC(C)(C)NCc1ccc(C#N)c(C)c1 594997988 DCZQUUILOFIREG-UHFFFAOYSA-N 242.366 3.701 30 20 BHED Cc1cccc(NC[C@@H](C)CCC#N)c1C 602495450 UYUFQAYZUZBSNP-NSHDSACASA-N 216.328 3.655 30 20 BHED C=CCCC(C)(C)NC(=O)c1cccc(F)c1C 620864555 HQAUHAGAGHFFBG-UHFFFAOYSA-N 249.329 3.609 30 20 BHED C=CCN1CCC(CCc2ccccc2)CC1 673259541 PTFUEBINNOMCMR-UHFFFAOYSA-N 229.367 3.517 30 20 BHED C=C(Cl)CN(C)CCC1CCCCC1 726071319 DSEYETGRLWKFLG-UHFFFAOYSA-N 215.768 3.641 30 20 BHED CC(=NNc1cc(C)ccc1C)c1nccs1 732621769 IECIEVRNXGCRPU-UHFFFAOYSA-N 245.351 3.596 30 20 BHED C=C(Cl)CN(C)Cc1ccc(F)c(Cl)c1 763825440 NJROKFNIZWUXSI-UHFFFAOYSA-N 248.128 3.663 30 20 BHED CCc1ccccc1NN=C(C)c1cscn1 767898960 DUMSDQAXMCQNLP-UHFFFAOYSA-N 245.351 3.542 30 20 BHED CC(CCC1CC1)=NNCCCc1ccccc1 768777776 QXOIBDOZICSIRO-UHFFFAOYSA-N 244.382 3.775 30 20 BHED C[C@@H]1CCCCC1=NOC1CCCCC1 777458939 LTKXVYFODKOARQ-LLVKDONJSA-N 209.333 3.902 30 20 BHED CSCCON=C1CCC[C@H]1c1ccccc1 794572809 IQEDBKBDPCALKO-ZDUSSCGKSA-N 249.379 3.690 30 20 BHED CC1=CCC[C@@H](C)[C@H]1C=NNc1ncccc1F 794990927 SNDKVOGCMBWDNQ-NEPJUHHUSA-N 247.317 3.611 30 20 BHED C#C[C@H](N[C@H]1CC[C@H](c2ccccc2)C1)C(C)C 809685696 LSODJOISVVPROS-ULQDDVLXSA-N 241.378 3.570 30 20 BHED C1CCC(ON=C2CC[C@@H]2C2CCC2)C1 814895569 ZECZFXKECXBVGO-GFCCVEGCSA-N 207.317 3.512 30 20 BHED CC(Cc1ccc(F)cc1)=NOC/C=C/Cl 814934527 WJZBSIMXCHRDQO-CSRGVBMISA-N 241.693 3.513 30 20 BHED C=CCCCC[C@H](C)NCC(=C)Br 823818450 ASYSRBZYBRLBSK-NSHDSACASA-N 246.192 3.620 30 20 BHED CCCCCC[C@@H](C)NCC(C)(C)CC#N 839163502 NLTYDMGLNVHFKC-CYBMUJFWSA-N 224.392 3.875 30 20 BHED Clc1ccccc1C=NOCc1ccccc1 849613114 CQXSQUOCTBHMPB-UHFFFAOYSA-N 245.709 3.891 30 20 BHED C=C[C@H](OC(=O)[C@@H](C)CC)c1ccccc1 851453256 PKGHZXJBYKIZGU-AAEUAGOBSA-N 218.296 3.503 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1cccc(O)c1F 872068409 HGDRTBOCNAONRX-QWRGUYRKSA-N 237.318 3.537 30 20 BHED CCCCCCCCCN(C)C[C@@H]1CCOC1 918741723 OVUJILHLGSFXAG-HNNXBMFYSA-N 241.419 3.705 30 20 BHED C=C[C@H](C)N[C@H](C)c1cc(-c2ccccc2)no1 925261404 GQNVYIGUPHSPCG-NWDGAFQWSA-N 242.322 3.567 30 20 BHED CCCC1CCC(NCC(C)(C)CC#N)CC1 1308432174 DNEROPMJYYDZQY-UHFFFAOYSA-N 236.403 3.875 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)CCC1CCC1 1336219421 VVCLUWAVXYNWLE-CQSZACIVSA-N 235.371 3.524 30 20 BHED N#Cc1cc(F)cc(C(Cl)(Cl)Cl)c1 44172037 XNVIMZCRKHTBHR-UHFFFAOYSA-N 238.476 3.524 30 20 BHED C=CCN[C@H](c1ccccc1)c1cccc(F)c1 89118568 RIMHEZRFXBUQBJ-MRXNPFEDSA-N 241.309 3.691 30 20 BHED CC(C)(CCC#N)CN1CCC[C@@H]1C1CCCC1 92401833 PNTKDOSAPDUVIO-OAHLLOKOSA-N 248.414 3.971 30 20 BHED C=CC1CCN(c2ccnc3ccccc23)CC1 110595621 UZJIQZINTHOTAB-UHFFFAOYSA-N 238.334 3.637 30 20 BHED C=CCCC(=O)O[C@@H](CC)c1ccc(OC)cc1 113675218 CYEVWOYRXFTKDN-AWEZNQCLSA-N 248.322 3.656 30 20 BHED C=CCC[C@H](NC[C@@H]1Cc2ccccc21)C1CC1 120989479 LRLXBZBEVPVOQH-RDJZCZTQSA-N 241.378 3.661 30 20 BHED CC[C@@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1C 165502924 USLORBIIQGAPJT-XJKSGUPXSA-N 242.366 3.630 30 20 BHED C=CCC[C@H](NCCCC#N)c1ccccc1 180049865 KQDBZEOMOOLFCH-HNNXBMFYSA-N 228.339 3.587 30 20 BHED C[C@H](c1ccc(F)cc1)N1CCC[C@@H](CC#N)C1 259819550 WHUAWZRDVRJWMC-OLZOCXBDSA-N 246.329 3.512 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc(C)c(C)c1O 273351780 BWOVKEWHSPSEIC-DGCLKSJQSA-N 233.355 3.624 30 20 BHED N#C[C@H]1CC[C@@H](Sc2ncccc2Cl)C1 278667457 XPORTEJFSJQDAD-DTWKUNHWSA-N 238.743 3.519 30 20 BHED N#Cc1cccc(Cl)c1NCc1ccsc1 301384836 WMTWZUTWDDCDSM-UHFFFAOYSA-N 248.738 3.885 30 20 BHED C=CCCC[C@@H](C)Nc1ccc(Cl)c(C#N)n1 302045396 XWAZADPVIBBAAT-SNVBAGLBSA-N 249.745 3.763 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)C1CCCC1 308821712 CGWFROIDOYXHFP-OLZOCXBDSA-N 209.377 3.900 30 20 BHED C=CCCN[C@H]1CCCCC12CCCC2 308882300 DJRMUJIXDYBKRW-ZDUSSCGKSA-N 207.361 3.655 30 20 BHED C=CCCCN[C@@H](CC(F)(F)F)C(C)C 309068450 BJTVQJKJQKIJQX-JTQLQIEISA-N 223.282 3.519 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@@H](C)c1ccccc1 424547289 RTYWNCMLGQCHGF-CYBMUJFWSA-N 245.366 3.509 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cccc(F)c1F 424611554 DGYGAZDXRLAOAS-UHFFFAOYSA-N 239.265 3.506 30 20 BHED C=CCCCN(C)Cc1oc(C(C)C)nc1C 428224640 AJZMFLMPWJYZQG-UHFFFAOYSA-N 236.359 3.504 30 20 BHED C=CCCCC[C@H](C)NC1CC(C)(F)C1 449375347 GSCYHUHCBSTLRB-HIFPTAJRSA-N 213.340 3.602 30 20 BHED CCOc1ccc(C#N)cc1NC(CC)CC 461887629 XZTMZCVJMYFXIR-UHFFFAOYSA-N 232.327 3.557 30 20 BHED C=CCCN(C)Cc1ccccc1OCC(C)C 467284031 NWIORFGENPXYPF-UHFFFAOYSA-N 247.382 3.729 30 20 BHED C=C(CC)CN[C@@H](C)[C@H](C)c1ccc(OC)cc1 569649217 JOWNDGLMUDWXDB-KBPBESRZSA-N 247.382 3.743 30 20 BHED CC(C)N(CCCCC#N)c1cccc(F)c1 595824703 NWHGGSDWPKIQDE-UHFFFAOYSA-N 234.318 3.734 30 20 BHED CSc1ccc(CS[C@H](C#N)C2CC2)cc1 601082488 HUWWGSPEVISJHQ-CYBMUJFWSA-N 249.404 3.944 30 20 BHED C=CC[C@H]1CCCN(C(=O)C[C@H](C)CCC)C1 617785546 LFQLJIWOXWOJKC-KGLIPLIRSA-N 237.387 3.627 30 20 BHED C=CC(C)(C)C(=O)N[C@H](CC)C1CCCCC1 659016082 DQVFETBRHOYBCO-CYBMUJFWSA-N 237.387 3.674 30 20 BHED C=CCCCC(=O)OCc1cc(C)sc1C 748226138 MEJMPNNFKZWXSF-UHFFFAOYSA-N 238.352 3.764 30 20 BHED CCCCCCCOC(=O)C1CC(F)(F)C1 753803647 KFUPXSZLYDGSKM-UHFFFAOYSA-N 234.286 3.545 30 20 BHED CC(CC1CC1)=NNc1cc(F)cc(F)c1 756835966 YUKMVOAOXFVFCM-UHFFFAOYSA-N 224.254 3.553 30 20 BHED O=C(/C=C/c1nc(Cl)cs1)c1ccccc1 759069673 ALUBQCAKIIFQML-VOTSOKGWSA-N 249.722 3.693 30 20 BHED CCCCCCC[S@](=O)CCC(C)C 764559513 SGZLLFICGCUEKG-AWEZNQCLSA-N 218.406 3.752 30 20 BHED C[C@@H]1CCCC(=NNCCc2ccccc2F)C1 764723694 SENNQDXJIMFXNV-GFCCVEGCSA-N 248.345 3.524 30 20 BHED C#CCCCN(Cc1ccc(C)s1)C(C)C 766894241 BCKZDOFKCZDMLR-UHFFFAOYSA-N 235.396 3.680 30 20 BHED CCCCCCCC(=O)N(OC)[C@H](C)CC 768899811 SIALBGOSKBEJJM-GFCCVEGCSA-N 229.364 3.535 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cc2ccccc2[nH]1 775632323 LUHZQWJYCUPOGV-NEPJUHHUSA-N 228.339 3.783 30 20 BHED CC(C)(C=NOC1CCCCC1)CCC#N 777458587 HFYBVTUWNGAZGM-UHFFFAOYSA-N 222.332 3.651 30 20 BHED C=CCCC(=NN[C@H]1CCCC1(C)C)C1CC1 782289786 VVNLSRSVXIRICY-AWEZNQCLSA-N 234.387 3.887 30 20 BHED CC[C@@H](C)NN=C[C@H](C)CCc1ccccc1 790183969 PYQQTYJZQFNZQM-ZIAGYGMSSA-N 232.371 3.629 30 20 BHED CC[C@H](C)NN=C1CCC[C@@H]1Cc1ccccc1 790186952 CXZZAZYXDXBXTH-DZGCQCFKSA-N 244.382 3.773 30 20 BHED C=C(CC)CN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21 834901600 ADBIODIEQRMPFB-CMPLNLGQSA-N 249.329 3.635 30 20 BHED CCCON=C(C)CCc1cccc(F)c1 842558135 UXBPUKKFUREPKH-UHFFFAOYSA-N 223.291 3.561 30 20 BHED CC[C@H](OCCON=CC1CC1)c1ccccc1 853736016 IWJWDHBKTGBTBX-HNNXBMFYSA-N 247.338 3.567 30 20 BHED Cc1ccc([C@@H](C)C=NO[C@@H]2CCCCO2)cc1 863103919 ODUDFBBBPFTQHA-DZGCQCFKSA-N 247.338 3.628 30 20 BHED C=CC(C)(C)CCOC(=O)C1(C)CC(F)(F)C1 873545996 VJYZSUIZKWJEPF-UHFFFAOYSA-N 246.297 3.567 30 20 BHED C=CCN(CCOc1cc(C)cc(C)c1)C(C)C 917069176 JRGGBVRPZCMMNP-UHFFFAOYSA-N 247.382 3.579 30 20 BHED CCON=C(CCc1ccccc1)C(C)C 917543597 SUJHNUYVGITMQM-UHFFFAOYSA-N 219.328 3.668 30 20 BHED C=CC[C@H](C)NC(=O)c1ccc(CC)c(CC)c1 1116481410 NBKVQTJQFAVEED-LBPRGKRZSA-N 245.366 3.506 30 20 BHED C=CCCc1nnc(-c2ccccc2Cl)o1 1322296760 NWFYHDHPNBPZMK-UHFFFAOYSA-N 234.686 3.509 30 20 BHED C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 1354480840 DCJSTNWDHRHEDM-KGLIPLIRSA-N 245.366 3.651 30 20 BHED C=C(Cl)CNC[C@@H](C)CC1CCCCC1 1650312446 HCVGIVJKEHGNFP-NSHDSACASA-N 229.795 3.935 30 20 BHED CC[C@H](C)CN(CC)Cc1ccc(C#N)c(C)c1 1658309542 OBTLTSVOJQQDDL-ZDUSSCGKSA-N 244.382 3.735 30 20 BHED C[C@@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)C1 37071288 BMONKAXVBXOGAL-IUODEOHRSA-N 228.339 3.743 30 20 BHED CCCCCNc1cccc(Cl)c1C#N 48935068 NYEAZZWXPUUWCT-UHFFFAOYSA-N 222.719 3.814 30 20 BHED Cc1ccc(Oc2ncccc2C#N)c(Cl)c1 54351047 RMUDKWUAZMVUHV-UHFFFAOYSA-N 244.681 3.707 30 20 BHED CC[C@@H](C#N)SCc1cccc(C)c1 54965722 TYVDOYFQAGSKCF-LBPRGKRZSA-N 205.326 3.530 30 20 BHED C=CCCCNc1cccc(Br)c1 70591386 KOIZVLGSQZFEOK-UHFFFAOYSA-N 240.144 3.827 30 20 BHED Cc1ccc(/C=C/C(=O)c2occc2C)cc1 119044297 QOPWMVLYJLVRJD-BQYQJAHWSA-N 226.275 3.793 30 20 BHED C[C@H]1CC(NCc2ccc(C#N)s2)C[C@H](C)C1 135693172 CURNYYHQMZCLGT-GHMZBOCLSA-N 248.395 3.534 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 135720738 JVTJJRWUIJWPSF-OLZOCXBDSA-N 228.339 3.564 30 20 BHED C=CCN[C@H](CC)c1ccc(Cl)s1 159666028 KKVVCHPMFPOJKD-MRVPVSSYSA-N 215.749 3.628 30 20 BHED C=CCc1ccccc1OCc1ncc(C)s1 179890921 RFJJQNUGESKQSI-UHFFFAOYSA-N 245.347 3.759 30 20 BHED CCCCCCCCN[C@@H](C)C1CCOCC1 180401592 DOWRNUIGUZMIQA-AWEZNQCLSA-N 241.419 3.752 30 20 BHED C/C(=C\Cl)C[C@@]1(C=O)CC[C@H](C)C1 307034510 SVOBAWHVJMMCOB-YZMGIVQGSA-N 200.709 3.524 30 20 BHED Cc1cc(C#N)cc(NCCC(C)(C)C)c1 308098077 AJJARSKLYIGIJW-UHFFFAOYSA-N 216.328 3.715 30 20 BHED C/C=C\CSCCCOc1cccc(C#N)c1 357339086 BKKCCUATPNQMEF-IHWYPQMZSA-N 247.363 3.636 30 20 BHED C=CCCCN[C@H](c1cccs1)C1CC1 389347308 VPMYBYRIOGXGKE-ZDUSSCGKSA-N 221.369 3.755 30 20 BHED C=CC[C@H](C)[C@@H](C)NC[C@@H](SC)C(C)(C)C 390658478 ROJWULFPFOMNOM-YNEHKIRRSA-N 243.460 3.954 30 20 BHED C=CCC[C@@H](CC)NCc1cc(C)nc(C)c1 421368208 BOKMYIPIOGYNNA-OAHLLOKOSA-N 232.371 3.533 30 20 BHED C=CCC[C@H](NCCc1ccc(F)cc1)C1CC1 439075811 GRDVIMKFCBRBER-INIZCTEOSA-N 247.357 3.703 30 20 BHED C=CCCC[C@@H](C)NCc1ccc(C)c(OC)c1 446810676 QLGCPANRFCYGME-CQSZACIVSA-N 247.382 3.838 30 20 BHED C=CCCCC[C@H](C)NCCC[C@H]1CCOC1 449688751 HVXAHZDLLCDBEF-GJZGRUSLSA-N 239.403 3.528 30 20 BHED C=CCC1(C(=O)N2CC[C@@H](C)[C@@H]2C)CCCCC1 450037408 FYQCGKMDAMSQKN-KGLIPLIRSA-N 249.398 3.770 30 20 BHED C=CCC1(C(=O)N2CC[C@@](C)(CC)C2)CCCC1 450099728 GCDQYMAIPVUQQS-OAHLLOKOSA-N 249.398 3.772 30 20 BHED CC#CCCCC(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1 457012549 SWZHDDALVYTYPS-ILXRZTDVSA-N 249.398 3.511 30 20 BHED COc1ccc(C#N)cc1N[C@@H]1CCC(C)(C)C1 468513787 FWWKZTZDODJLQB-GFCCVEGCSA-N 244.338 3.557 30 20 BHED C=C(C)CCc1noc(C(C)(C)CC(C)C)n1 508688037 VQZGQMZWBNMIQS-UHFFFAOYSA-N 236.359 3.902 30 20 BHED C=CCCN(C1CCC(CC)CC1)C1CC1 525328824 NXLBWSOIYCTCSW-UHFFFAOYSA-N 221.388 3.996 30 20 BHED Cc1cc(C)c([C@H](C)N(C)C[C@H](C)C#N)c(C)c1 533267167 BRBANPRTMLUYTA-DOMZBBRYSA-N 244.382 3.764 30 20 BHED C=CCCN[C@@H](CC)C(C)(C)c1ccccc1 537224042 JMEKKGCAPYOPGI-HNNXBMFYSA-N 231.383 3.909 30 20 BHED C=CCSCc1ccc([N+](=O)[O-])cc1Cl 543860004 BCUYRHYNNPVIRX-UHFFFAOYSA-N 243.715 3.667 30 20 BHED C=C(C)CCN(C)[C@H](C)C1CCCCC1 554834946 NRXQSHDPSZGPEL-CYBMUJFWSA-N 209.377 3.853 30 20 BHED C=C[C@H]1CCCCN1[C@@H](C)Cc1ccsc1 567425509 QYXLWASLWMDQCH-JSGCOSHPSA-N 235.396 3.720 30 20 BHED CC#CCN[C@H](C)c1ccc(F)c2ccccc12 576234458 DUTHXGVTCOODDE-GFCCVEGCSA-N 241.309 3.653 30 20 BHED CC(C)(CNc1cccnc1C#N)C1CCCC1 584085851 CLRLZTLPHSOJAJ-UHFFFAOYSA-N 243.354 3.582 30 20 BHED N#CCCSCC[C@@H]1CCc2ccccc21 594903973 XSFLGCGNBRBSID-ZDUSSCGKSA-N 231.364 3.753 30 20 BHED C[C@@H](CCC#N)CN1CCc2sccc2[C@H]1C 602434852 FPXAQPVOMCPFFP-NWDGAFQWSA-N 248.395 3.607 30 20 BHED Cc1ccc2c(c1)N(CCCC(C)(C)C#N)CC2 610447759 QQQWVNKMGXZWAG-UHFFFAOYSA-N 242.366 3.688 30 20 BHED Cc1ccccc1[C@H](C)N1CCC[C@@](C)(C#N)C1 612162102 ZGSICZMVXHAKFM-HOCLYGCPSA-N 242.366 3.682 30 20 BHED C=CCC[C@@H](CC)NCCCOC(C)(C)C 658184465 HZPUPIHSPNPUKM-CYBMUJFWSA-N 227.392 3.526 30 20 BHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCc2ccccc21 695869805 FVSJEDPZNJIHPI-SWLSCSKDSA-N 242.366 3.592 30 20 BHED CC(C)(C)c1ccc(C=NNC2CCCC2)cc1 727652683 UPSSJLONSUAXNR-UHFFFAOYSA-N 244.382 3.850 30 20 BHED C=CC[C@@H](C)C(C)=NNCCCc1ccccc1 729145039 HAZAFDJBTWZAAH-CQSZACIVSA-N 244.382 3.797 30 20 BHED C=CC[C@@H](C)NC(=S)Nc1ccc(CC)cc1 734985501 FWWJZBVXDCCDOY-LLVKDONJSA-N 248.395 3.500 30 20 BHED CC(C)=CCCC(C)=NNc1ccccn1 749156414 CVTZJZFSZYSBNG-UHFFFAOYSA-N 217.316 3.616 30 20 BHED C=C[C@H](C)NC(=O)c1ccc([C@H](C)CC)cc1 757006425 GYSXPEMBYNZBGU-NEPJUHHUSA-N 231.339 3.504 30 20 BHED CO[C@H](C)C(C)=NNc1cccc2ccccc12 763169505 VZLMYTLIFIUHNS-GFCCVEGCSA-N 242.322 3.663 30 20 BHED CCCC[C@H]1CCCC1=NOCC(F)(F)F 764836466 UDWPTNGXAGPVQL-VIFPVBQESA-N 237.265 3.912 30 20 BHED C#CCCCNc1ccccc1OC(C)(C)C 766730207 SNAKXEVVSMXQJX-UHFFFAOYSA-N 231.339 3.689 30 20 BHED C=CC[C@H]1N(C(=O)/C(C)=C/C)CCCC1(C)C 767219557 UJJQFXKEARIMFR-BWODNOAJSA-N 235.371 3.546 30 20 BHED CCON=Cc1ccc(-c2ccc(Cl)cc2)o1 767462757 OPQJSHSTDAKENN-UHFFFAOYSA-N 249.697 3.970 30 20 BHED CC(=NOC1CCCC1)c1ccc(F)cc1 774608503 OZQSHFUEGIVDMM-UHFFFAOYSA-N 221.275 3.509 30 20 BHED CC1CCC(=NOC2CCCCC2)CC1 777459419 QJFQITSTFCQQMV-UHFFFAOYSA-N 209.333 3.902 30 20 BHED CC[C@@H]1CCCC1=NNc1ccc2[nH]ncc2c1 779820360 HVXABOLJRNOZLW-SNVBAGLBSA-N 242.326 3.541 30 20 BHED Cc1ccoc1C=NN1CCC(C(C)(C)C)CC1 790180251 DMPYDUQQTSEBEB-UHFFFAOYSA-N 248.370 3.680 30 20 BHED C#C[C@H](CCC)NC(=O)C[C@H](C)CCCCC 791202893 VOKMFIBNUUKIFD-ZIAGYGMSSA-N 237.387 3.511 30 20 BHED CCCCCC(=O)Oc1ccc(C#N)cc1CC 799444742 VRQMPCDAKKQDDF-UHFFFAOYSA-N 245.322 3.606 30 20 BHED CCCOc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1 799723052 YKTYBARCXBPLGT-GXTWGEPZSA-N 244.338 3.580 30 20 BHED Fc1ccc(/C=C\C=NOC/C=C\Cl)cc1 811671672 JPYXNQQBUJWWIA-PALPCHNCSA-N 239.677 3.594 30 20 BHED CCCCc1ccc(OC(=O)CCCC#N)cc1 813077480 PYJVMIPJZROVEY-UHFFFAOYSA-N 245.322 3.628 30 20 BHED CSc1ccc(C=NOCCC2CC2)s1 814941286 URJFQSJUZKVEJV-UHFFFAOYSA-N 241.381 3.621 30 20 BHED CCOc1ccc(SCC2(C#N)CCC2)cc1 828910829 AFCKOMKXABHNLB-UHFFFAOYSA-N 247.363 3.871 30 20 BHED CCc1ccc([C@@H](C)NCC2(C#N)CCC2)s1 903031505 KXFRACJKAHZAQH-LLVKDONJSA-N 248.395 3.655 30 20 BHED N#C[C@H]1CCC[C@H](NC2(C3CCCCC3)CC2)C1 903447688 AZHUPAARSATQKS-ZFWWWQNUSA-N 246.398 3.771 30 20 BHED Cc1cc(C)cc(NN=Cc2cccc(F)c2)c1 916346595 JYNCRLWTMDLUNJ-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C=C(C)CCC(=O)Nc1ccccc1CSC 1346992310 JRRUFCFRMAOZOT-UHFFFAOYSA-N 249.379 3.844 30 20 BHED C=CCCCCN(CC)c1cccc(C(=O)O)c1 1776173721 IHEKJMAOJZAAHK-UHFFFAOYSA-N 247.338 3.567 30 20 BHED CCCCCCCC(=O)Nc1ncccc1C 3190721 AMABAYRVJIDQJY-UHFFFAOYSA-N 234.343 3.689 30 20 BHED CC[C@H]1CCCCN1Cc1ccc(CC#N)cc1 57661433 CJIMNOUCGDPBPO-INIZCTEOSA-N 242.366 3.517 30 20 BHED N#Cc1c(F)cccc1Oc1cccc(F)c1F 68916988 NFLGXEMXKFNJIL-UHFFFAOYSA-N 249.191 3.768 30 20 BHED CCCCCCCCCN(CC)CC#N 106322954 YZHAPMXWUAZSJB-UHFFFAOYSA-N 210.365 3.582 30 20 BHED C=CCCOc1ccccc1SCC 133833158 CIYHYHMLHHEGTJ-UHFFFAOYSA-N 208.326 3.754 30 20 BHED C=CCC[C@H](CCC)NCCc1ccco1 156023812 OIMOECSNXAVOMB-ZDUSSCGKSA-N 221.344 3.547 30 20 BHED C#CCCCN(CCC(C)C)C1CCCC1 161110071 GCXSPZHEAKKJCR-UHFFFAOYSA-N 221.388 3.691 30 20 BHED CC(C)CCN(CCC#N)Cc1cccc(F)c1 173540986 UHDVIRLMVSFRPK-UHFFFAOYSA-N 248.345 3.587 30 20 BHED C=CCCC[C@H](C)NC(=O)c1cc(C)ccc1F 182652336 SNHFZIFEVSHYSW-LBPRGKRZSA-N 249.329 3.609 30 20 BHED CCC[C@H]1CCCCN1Cc1cccc(C#N)c1 213426380 SHXVQFWYOGNULF-INIZCTEOSA-N 242.366 3.713 30 20 BHED C=CCC[C@H](CCC)N[C@@H](C)c1cnn(CC)c1 294961798 WQSNUTUEKMIXKS-ZFWWWQNUSA-N 249.402 3.689 30 20 BHED C=CCCCN[C@@H](C)c1cccc(F)c1F 303520114 MQKMZSRHFJKPLV-JTQLQIEISA-N 225.282 3.582 30 20 BHED C[C@H]1CCC[C@@H](COc2ccc(C#N)cc2F)C1 305923868 ILKNMDPXONFRFQ-WCQYABFASA-N 247.313 3.902 30 20 BHED C=CCC[C@H](CC)N[C@@H](C1CC1)C(F)(F)F 310003592 FSCGAIDVVGSPQB-QWRGUYRKSA-N 235.293 3.662 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1ccc(OC)cc1 310901245 WGMZNSYXXFEUEV-CYBMUJFWSA-N 247.382 3.948 30 20 BHED CC#CCCNCc1cc(Cl)sc1Cl 312604310 PATUIHNWIAUOIE-UHFFFAOYSA-N 248.178 3.558 30 20 BHED CC(C)CCCSCCCSCC#N 346714814 JUNMNLHEIJSPLU-UHFFFAOYSA-N 231.430 3.803 30 20 BHED C=CCC[C@@H](CCC)N[C@H](C)C1(OC)CCC1 414303668 LUUAWSALFHKNFX-ZIAGYGMSSA-N 239.403 3.669 30 20 BHED C=C(CC)CN[C@@H](C)c1cnn(C(C)(C)C)c1C 453368360 QGBHFIUHLBKTPR-LBPRGKRZSA-N 249.402 3.563 30 20 BHED C=CCC[C@H](C)Nc1cnn([C@H](C)CC)c1C 477938616 CMNLNOLLYIVYOU-NWDGAFQWSA-N 235.375 3.929 30 20 BHED C=C[C@@H]1CCCCN1C/C=C/c1ccccc1 489433462 UJFYFCPSSGNPCK-YCABEKBOSA-N 227.351 3.740 30 20 BHED C=C(C)CCN[C@@H](c1ccc(OC)cc1)C(C)C 508993629 XRQJDRAHADGDEY-MRXNPFEDSA-N 247.382 3.948 30 20 BHED C=C(C)CCN(C)C[C@@H](C)c1ccccc1 509679726 IUAISSQZZVDUDN-CQSZACIVSA-N 217.356 3.688 30 20 BHED C=CCCC1(C(=O)NCCCC(C)(C)C)CC1 527248237 CXGWPVVMMAJRBR-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCOCCCOc1ccccc1C(C)C 559948616 VVMAUGKKYPLZME-UHFFFAOYSA-N 234.339 3.782 30 20 BHED N#CCCCCS[C@H]1CCc2ccccc2C1 567628810 ZUBHNFRXQGUEBZ-HNNXBMFYSA-N 245.391 3.971 30 20 BHED CC(C)(CC#N)CSc1ccc(F)cc1F 576599897 PKOKQEKCOJVLAS-UHFFFAOYSA-N 241.306 3.997 30 20 BHED C=C(CC)CN(Cc1ccc(C)o1)C1CC1 678623663 SEGIAKDRZJRCMW-UHFFFAOYSA-N 219.328 3.519 30 20 BHED CCCCCCCC(=O)N1C[C@H](C)C[C@@H]1CC 744765605 JJQXONXVDNDPGL-KGLIPLIRSA-N 239.403 3.994 30 20 BHED C=CCCCC(=O)N(C1CCCCC1)C1CC1 748528122 CBBBFKGOVVSTSY-UHFFFAOYSA-N 235.371 3.666 30 20 BHED CCO[C@@H]1CCCC1=NNc1cc(C)ccc1C 766433919 RSIHZIXUZMYFSQ-OAHLLOKOSA-N 246.354 3.660 30 20 BHED Fc1cccc(Cl)c1NN=Cc1ccco1 769828259 DFALHEVRHDXLDE-UHFFFAOYSA-N 238.649 3.518 30 20 BHED C(=NOC1CCCC1)[C@H]1C[C@H]1c1ccccc1 774601608 FCQVWOIJVXAPAG-HIFRSBDPSA-N 229.323 3.735 30 20 BHED C=C(C)CN(C)C(=S)Nc1cccc(C)c1C 777919346 TWLAYNXCLAMVIV-UHFFFAOYSA-N 248.395 3.508 30 20 BHED CCC(CC)NN=C1CCCC[C@H]1CC 779770667 AEDMBSIKQKZNEA-LLVKDONJSA-N 210.365 3.721 30 20 BHED CCCCCC(C)=NNc1ccc2[nH]ncc2c1 779820727 NOVNQJKXNHMWPZ-UHFFFAOYSA-N 244.342 3.931 30 20 BHED CC(C)CNN=C1CC[C@](C)(c2ccccc2)C1 780234105 AIRQAOPVKHHIDH-INIZCTEOSA-N 244.382 3.730 30 20 BHED C=C[C@@](C)(CC)C(=O)Oc1ccc(F)c(C)c1 786639653 VYCAEBHYDRQBJG-AWEZNQCLSA-N 236.286 3.642 30 20 BHED C#C[C@H](CCC)NC(=O)[C@@H](CC)CCCCC 791197445 NLSYUJWYJVWCHP-UONOGXRCSA-N 237.387 3.511 30 20 BHED C[C@H](NN=C1CCC2(CC1)CC2)C(C)(C)C 793115897 PZJQMNICRBIAGD-NSHDSACASA-N 222.376 3.721 30 20 BHED CCCCCCCCCN(C)C(=O)C(C)(F)F 808458173 RIHOCXVQFCFCEE-UHFFFAOYSA-N 249.345 3.851 30 20 BHED Cc1ncccc1/C=C1\C(=O)c2ccccc2[C@@H]1C 809158113 XZEMDTLMYCJAFE-OKHBPPCESA-N 249.313 3.773 30 20 BHED Clc1ccccc1NN=C1CC2(CC2)C1 814691234 SJAAFVMEMBXLBB-UHFFFAOYSA-N 220.703 3.682 30 20 BHED C[C@@H](NN=C1CC[C@H]1C1CCC1)C(C)(C)C 814938405 KJDGYUXLWJFAOR-PWSUYJOCSA-N 222.376 3.577 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccnc(Cl)c1 834883016 GNFUGSIRVCOVLE-JTQLQIEISA-N 238.762 3.598 30 20 BHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@H](C)C(C)(C)C 851210937 ZXZDGDPEFWCDCC-QWRGUYRKSA-N 239.359 3.540 30 20 BHED C(=NOC/C=C/c1ccccc1)c1cccs1 851978077 HFGSNEHOQDMMMS-HONKVLECSA-N 243.331 3.812 30 20 BHED CC(CC(C)(C)C#N)=NNc1ccccc1F 853285958 DRQZHJQUQHSYTH-UHFFFAOYSA-N 233.290 3.553 30 20 BHED C=CCCc1nnc(-c2cc3ccccc3o2)o1 1326211872 ZJGOALWKCAJCDQ-UHFFFAOYSA-N 240.262 3.601 30 20 BHED N#C[C@@H](Sc1ccc2c(c1)CCCC2)C1CC1 1613876012 VYTYLLKHTOGKKW-OAHLLOKOSA-N 243.375 3.960 30 20 BHED CCC(CC)Nc1cccc(Cl)c1C#N 48935480 VXVYZIXEJYNRSA-UHFFFAOYSA-N 222.719 3.812 30 20 BHED CC[C@H](C)[C@H](C)Nc1ccc(C#N)cc1F 49094508 FVNFGKLBIWITOV-UWVGGRQHSA-N 220.291 3.544 30 20 BHED C=CCOc1cccc(NC(=O)/C(C)=C\CC)c1 56998454 VGRBXBAMALPPSA-GHXNOFRVSA-N 245.322 3.546 30 20 BHED C#CCCCCC(=O)NCCCC1CCCCC1 119594186 JYUBMUPNOJUPHA-UHFFFAOYSA-N 249.398 3.657 30 20 BHED CCN(CCC(C)(C)C#N)[C@H]1CCCC[C@@H]1C 120056378 BSCCZHHWLKAMHM-KBPBESRZSA-N 236.403 3.827 30 20 BHED C=CCC[C@H](C)N[C@@H](C)c1ccsc1 131996441 HVPCGOUUUPEVNK-QWRGUYRKSA-N 209.358 3.753 30 20 BHED Cc1cc(F)cc(NCC(C)(C)CCC#N)c1 157503196 YLBSBWZRFWWNNM-UHFFFAOYSA-N 234.318 3.876 30 20 BHED C=CC[C@H](C)N[C@@H]1CCCC[C@@H]1C(C)C 161645126 JBDWOKYNWMKABP-BFHYXJOUSA-N 209.377 3.755 30 20 BHED C=CCCSCc1cnc(Cl)s1 161845320 UOXWPASQDIRGIZ-UHFFFAOYSA-N 219.762 3.606 30 20 BHED C=CCN[C@H](C)c1cccc(Cl)c1Cl 183758543 SSONASAJETXBHJ-MRVPVSSYSA-N 230.138 3.830 30 20 BHED C=CCCC(=O)N1CCCC(CC)(CC)CC1 188867978 ITFSWDKWVDCZOV-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C=CCC[C@@H](C)N[C@@H]1CCCc2c(O)cccc21 191637722 LHZSDYFPYISIKJ-IUODEOHRSA-N 245.366 3.714 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@@H]1C(C)(C)C 268200308 OLHGCJAZYUVKDG-CQSZACIVSA-N 249.398 3.792 30 20 BHED Fc1ccc(Cl)c(CON=C2CCC2)c1 275697084 JXJDMHSHVKCMNU-UHFFFAOYSA-N 227.666 3.536 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccc(F)cc1O 281463576 DYFHWNBYNUCMRV-ZYHUDNBSSA-N 237.318 3.537 30 20 BHED C=CCC[C@H](CC)N[C@@H](C)c1ccncc1F 338025495 XJJRONUBXFKBJZ-RYUDHWBXSA-N 236.334 3.616 30 20 BHED C=CCCCCN[C@H]1CCCNc2ccccc21 348183344 BBAADMGMHOXYDR-INIZCTEOSA-N 244.382 3.879 30 20 BHED C=CC[C@@H](C)NCc1ccccc1C(C)C 381034926 BCCWTBVDZDQKNU-CYBMUJFWSA-N 217.356 3.864 30 20 BHED C#Cc1cccc(NCc2cscc2Cl)c1 390781131 JXUAEJFKNGLYEC-UHFFFAOYSA-N 247.750 3.995 30 20 BHED C=CCN(C(=O)[C@H](CCC)CC(C)C)C1CC1 410662060 KOJSHHMUIWDRDN-CYBMUJFWSA-N 237.387 3.626 30 20 BHED N#CC1(CCN2CCCC3(CC3)C2)CCCCC1 411556531 XTXPGVONCMTYIR-UHFFFAOYSA-N 246.398 3.727 30 20 BHED C=CC(C)(C)CNCc1cc2c(F)cccc2[nH]1 449483609 BHXGFYOROLZLRP-UHFFFAOYSA-N 246.329 3.609 30 20 BHED C=CC(C)(C)C(=O)NCC1(CC(C)C)CCC1 450090914 LQRGAMXFDNBMPI-UHFFFAOYSA-N 237.387 3.531 30 20 BHED C=CCCN1[C@@H](C)C[C@@H](CC(F)(F)F)[C@H]1C 451150242 VYITZBYNAPBIPR-AXFHLTTASA-N 235.293 3.614 30 20 BHED C=C(CC)CN[C@@H]1CCCOc2ccc(F)cc21 453360868 NAZPXJGZHWXQTH-CQSZACIVSA-N 249.329 3.595 30 20 BHED CC#CCCN1CC[C@@H](c2ccccc2)[C@@H](C)C1 462315256 MFEDOBLCMSKNSA-DOTOQJQBSA-N 241.378 3.525 30 20 BHED C=CCCC1(C(=O)NC[C@@H]2CCCC[C@H]2C)CC1 475173704 LWXMGIJEXIYZHQ-KGLIPLIRSA-N 249.398 3.675 30 20 BHED C=CCN1C[C@@H](C)CC[C@@H]1c1ccccc1OC 510192641 NOWWAQWFEAVLKR-DZGCQCFKSA-N 245.366 3.654 30 20 BHED C=CCC[C@H](C)NCc1ccc([C@@H]2C[C@@H]2C)o1 543600140 BVLVQOFEGYDFSO-SGMGOOAPSA-N 233.355 3.847 30 20 BHED C=C[C@@H]1CCCCN1C[C@@H]1CCC2(CCCC2)O1 554840958 KOYUSBGTUCBACT-CABCVRRESA-N 249.398 3.519 30 20 BHED C=CCN(CC=C)[C@@H](C)CCc1ccccc1 571359150 JWEXLWNRVNYPLR-HNNXBMFYSA-N 229.367 3.682 30 20 BHED C=CCCC(=O)Nc1c(C)cc(C)cc1Cl 588015658 BJZNLFGDJXVGPR-UHFFFAOYSA-N 237.730 3.862 30 20 BHED COc1cc(C)c(-c2ccccc2C#N)cc1C 589962965 LUQJFLLGPHXQCZ-UHFFFAOYSA-N 237.302 3.851 30 20 BHED C[C@@H](CCC#N)CN(C)[C@H](C)C1CCCCC1 602650142 BLCJDNCVILXMPW-UONOGXRCSA-N 236.403 3.827 30 20 BHED C=CCN(C(=O)[C@@H](CCCC)C(C)C)C1CC1 621942031 JALXXARVGFZQQW-AWEZNQCLSA-N 237.387 3.626 30 20 BHED C[C@H](CC(C)(C)C#N)NCC1C(C)(C)C1(C)C 695811558 JSAOXCXJYMVWMU-LLVKDONJSA-N 236.403 3.587 30 20 BHED C=CCN(C[C@@H](C)c1ccccc1)C(C)C 735078880 WOVXOINQVFZSCJ-CQSZACIVSA-N 217.356 3.687 30 20 BHED CC(C[C@@H]1CCOC1)=NNc1cc(C)cc(C)c1 751523245 XQKRSYJHIYVXEN-AWEZNQCLSA-N 246.354 3.518 30 20 BHED COc1ccsc1/C=C\C(=O)c1ccc(C)o1 764431453 CVGBSSDUBSVNTF-XQRVVYSFSA-N 248.303 3.554 30 20 BHED C#CCN(C(=O)[C@H](CC)CCCCCC)C1CC1 764479988 AIYLJJWWKREDPW-CQSZACIVSA-N 249.398 3.607 30 20 BHED C#CCCCN[C@H](C)c1ccccc1OC(C)C 774982122 OQSHAEOSSWKYBY-CQSZACIVSA-N 245.366 3.538 30 20 BHED CCCCCCCCO[C@H](C)Cc1ncc[nH]1 782914073 YZRFDGVCGABNSR-CYBMUJFWSA-N 238.375 3.718 30 20 BHED CC1(C)CCC1=NNCc1ccc(Cl)cc1 789039380 YXINLCNEIKAZEY-UHFFFAOYSA-N 236.746 3.606 30 20 BHED C=C(Cl)CN[C@H](Cc1ccccc1C)C1CC1 793543320 ZKRWIRNGHVCLJN-OAHLLOKOSA-N 249.785 3.658 30 20 BHED C=CCCCCCCNC(=O)CCC(C)C 805219206 ALVUZWLDRCWRGX-UHFFFAOYSA-N 225.376 3.675 30 20 BHED C[C@H]1CC=CC[C@@H]1COC(=O)CCCCCC#N 805869609 XBWAWICXZIGYOD-UONOGXRCSA-N 249.354 3.606 30 20 BHED CCCCCCCC(=O)N(C1CC1)C1CC1 862852079 DPKAXTMIGDAVCP-UHFFFAOYSA-N 223.360 3.500 30 20 BHED C#CCCCCCCN(C)[C@H](C)c1cccnc1 877317420 NBXBKGCVVLRMKS-OAHLLOKOSA-N 244.382 3.658 30 20 BHED C=CCN(Cc1ccc(C(C)=O)cc1)C(C)(C)C 1333617791 VPGCNBWYCLTKOE-UHFFFAOYSA-N 245.366 3.676 30 20 BHED CC(C)C[C@H]1CCCCCN1CC1(CC#N)CC1 1615584740 WPVLVSOOQFWJOI-OAHLLOKOSA-N 248.414 3.971 30 20 BHED Cc1cc(N[C@H]2CCC[C@H](C)CC2)ncc1C#N 1655382613 KPEWUJZZRADXGI-FZMZJTMJSA-N 243.354 3.642 30 20 BHED C[C@@H](NCc1ccc(C#N)cc1)C1CCCCC1 37748450 IBHXVVLUCUGFCK-CYBMUJFWSA-N 242.366 3.617 30 20 BHED CC[C@H](C#N)Sc1ccc2c(c1)CCC2 43557624 AEHZSOVGWILJJD-GFCCVEGCSA-N 217.337 3.570 30 20 BHED C=CCCCNc1ccc(Cl)c(F)c1 70591910 NEYCDBLUNXEMBW-UHFFFAOYSA-N 213.683 3.857 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1cnc(C)s1 133076848 HSCNZUKKSSJHSL-WDEREUQCSA-N 238.400 3.847 30 20 BHED CCCCCCCOC(=O)C(C)(C)C 140188364 VJQPQMJCZDBCEQ-UHFFFAOYSA-N 200.322 3.546 30 20 BHED C=CCCCCCN(C)C(=O)c1ccccc1F 156801166 WICTYDOTLMBCOK-UHFFFAOYSA-N 249.329 3.644 30 20 BHED C[C@H]1[C@@H](C)Sc2ccccc2N1CCCC#N 161222200 RYTDGELVVZDNOE-NWDGAFQWSA-N 246.379 3.679 30 20 BHED C=C(C)CSCc1cccc(Cl)n1 177870346 PPXLPBFWVURELZ-UHFFFAOYSA-N 213.733 3.544 30 20 BHED C=C[C@](C)(CC)C(=O)N1CCC[C@](C)(CC)C1 188465994 NLNMAUQPPRHXFV-LSDHHAIUSA-N 237.387 3.627 30 20 BHED CC1(CNCc2ccc(C#N)cc2)CCCCC1 229586769 JBWSNFAKUFYEFU-UHFFFAOYSA-N 242.366 3.618 30 20 BHED CCC(C)(C)C(=O)CSc1cccc(C#N)c1 351657096 YRIZFVPYGPGWRX-UHFFFAOYSA-N 247.363 3.656 30 20 BHED CC(C)[C@@H]1CCC[C@H]1NCc1ccc(C#N)s1 421352616 RCMXCVNIYMPWHR-UONOGXRCSA-N 248.395 3.534 30 20 BHED C=C(C)CCc1noc(C(C)(C)C2CCC2)n1 453189410 YXDOQMLMMQBKAN-UHFFFAOYSA-N 234.343 3.656 30 20 BHED C=C(C)CN(CCCCF)Cc1ccccc1 510793106 BMZXZOKCMOYNGS-UHFFFAOYSA-N 235.346 3.814 30 20 BHED C=CC[C@H](C)NC(=O)[C@H](C)CCC(C)(C)C 544560374 JYYMQUCKADTEJK-NEPJUHHUSA-N 225.376 3.530 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H](C)c1ccsc1 644805825 KDFQNUVENSBRKR-JTQLQIEISA-N 237.368 3.528 30 20 BHED C=C(C)COC(=O)C[C@@H](CC)CCCC 735364146 WSXCNDBEHLRCDI-LBPRGKRZSA-N 212.333 3.712 30 20 BHED CC(=NNC1CCCC1)[C@@H](C)c1ccccc1 746371526 YCFONYQSGCYBLQ-GFCCVEGCSA-N 230.355 3.698 30 20 BHED C#C[C@@H](CC)NC(=O)C[C@H](C)CCCCCC 754374251 IWXIXVKTCKTZBZ-KGLIPLIRSA-N 237.387 3.511 30 20 BHED CCCCCCCC(=O)N1CC[C@](C)(CC)C1 758669127 BPIYCRMRXZVEOH-HNNXBMFYSA-N 239.403 3.996 30 20 BHED CCc1ccccc1NN=C1CC(C(F)F)C1 766019438 RBKYWQZWKZUYKA-UHFFFAOYSA-N 238.281 3.692 30 20 BHED Cc1cc2cc(C=NNCC(C)C)oc2cc1C 771568376 ZLWGAGNORZSSNX-UHFFFAOYSA-N 244.338 3.629 30 20 BHED CCc1oc2ccccc2c1C=NN[C@H](C)CC 790183614 NZBHFMHYEXOJMS-LLVKDONJSA-N 244.338 3.717 30 20 BHED C=CCC(C)(C)C(=O)Oc1ccc(F)cc1C 796997184 PZDBNBTYBARDEB-UHFFFAOYSA-N 236.286 3.642 30 20 BHED CC(C)OCCON=CC1CCC(C)(C)CC1 812238184 UUNAMNIBAVYAGJ-UHFFFAOYSA-N 241.375 3.630 30 20 BHED Cc1ccccc1C1CC(=NOCC2CC2)C1 814242432 ZVTCSNPGXDMPEL-UHFFFAOYSA-N 229.323 3.655 30 20 BHED CCC(=NNc1ccccc1)c1ccco1 814684227 IPTLEINOAQGKEW-UHFFFAOYSA-N 214.268 3.506 30 20 BHED FC(F)(F)CON=CCC1CCCCC1 814879676 HDHASLIFYAVAOH-UHFFFAOYSA-N 223.238 3.522 30 20 BHED CC1(C#N)CCC(=NNCC2(C)CCCC2)CC1 834981542 RSJHZBXLTCFCKR-UHFFFAOYSA-N 247.386 3.616 30 20 BHED C(=NOCCCSCc1ccccc1)C1CC1 853734877 KYDPYTLBLGEMBS-UHFFFAOYSA-N 249.379 3.722 30 20 BHED CC[C@@H](NC[C@H]1C=CCC1)c1cccc(C#N)c1 903087941 ODWHJRXAJAAVSQ-XJKSGUPXSA-N 240.350 3.565 30 20 BHED CCCCCCCCSc1nncn1CC 915793859 PAHKHBBHCIXBEP-UHFFFAOYSA-N 241.404 3.751 30 20 BHED CCCCCCCCCN(C)c1cnccn1 918735233 FSKFCTLNIFJZBR-UHFFFAOYSA-N 235.375 3.663 30 20 BHED C=C[C@H](CC)CC(=O)N[C@@H](C)c1ccsc1 935851924 YPLHFPOBBVAKJK-WDEREUQCSA-N 237.368 3.528 30 20 BHED CCC(CC)CN(CCC#N)CC1CC(C)C1 1644736209 HSENCEFQHLVBMA-UHFFFAOYSA-N 236.403 3.684 30 20 BHED CCN(CCCC#N)c1cccc2ccccc12 19804692 OQPNBRCOCQMVNL-UHFFFAOYSA-N 238.334 3.970 30 20 BHED CC(C)(C#N)Cc1cccc2ccccc12 49804143 OWXDSTUMJPMKAI-UHFFFAOYSA-N 209.292 3.932 30 20 BHED C=CCN1CCC[C@H]1c1cccc(Cl)c1 52077648 OXAGWHGXJISDPO-ZDUSSCGKSA-N 221.731 3.663 30 20 BHED C=CCCOc1ccc(Oc2ccccn2)cc1 77238806 JMISKCLKNZQJPN-UHFFFAOYSA-N 241.290 3.829 30 20 BHED CCc1ccc(CN(CC#N)C2CCCC2)cc1 78003544 BTZUDHNIVGYWEU-UHFFFAOYSA-N 242.366 3.517 30 20 BHED CC(C)CN(CCC(C)(C)C#N)C1CCCC1 94848690 LKQPXKFDSDZRRP-UHFFFAOYSA-N 236.403 3.827 30 20 BHED C=CCC[C@H](CC)N[C@H](C)CC(C)(C)OC 122039095 INQHGAPZPLTSGD-OLZOCXBDSA-N 227.392 3.524 30 20 BHED CCCCCCCNCc1ncc(CC)s1 230141255 RUIIYSGOLXGVFZ-UHFFFAOYSA-N 240.416 3.766 30 20 BHED O=C(/C=C\c1coc2ccccc12)c1ccco1 255547631 KSUDZXMKOZYTBQ-FPLPWBNLSA-N 238.242 3.922 30 20 BHED CN(CCCC#N)[C@@H]1CCC[C@H]1c1ccccc1 297452468 HIZZBBAZBLIJJN-JKSUJKDBSA-N 242.366 3.558 30 20 BHED CC[C@H](C#N)Sc1cccc2cccnc12 336153350 AUPMGQLJMBUHCW-LLVKDONJSA-N 228.320 3.629 30 20 BHED C=CC[C@H](C)N[C@H]1CCCc2ccc(C)cc21 340542282 LTIPNHMUYWCIRK-BBRMVZONSA-N 229.367 3.927 30 20 BHED C=CC[C@@H](C)N[C@H](CC)c1ccc(F)cc1F 358048739 QBXWUDRRGOZYIY-QMTHXVAHSA-N 239.309 3.970 30 20 BHED C=CCOCCCSCC/C=C\CC 359147575 RXPCGQQKBHFUEG-WAYWQWQTSA-N 214.374 3.669 30 20 BHED CC(C)(CCC#N)CN[C@@H]1C[C@H]1C1CCCCC1 363264525 ODFMARAMPAIQFX-LSDHHAIUSA-N 248.414 3.875 30 20 BHED C=CCCCCCCNc1ccc(C#N)nc1 384059482 SQTITPSCGDEBHQ-UHFFFAOYSA-N 229.327 3.502 30 20 BHED C=C(C)CCN[C@H](C)c1cc(F)cc(F)c1 395287427 CZKGJEHPXOWFFO-SNVBAGLBSA-N 225.282 3.582 30 20 BHED CC[C@H](F)CSCc1cccc(F)c1C#N 427693257 DDPHNAPWSKEIQM-JTQLQIEISA-N 241.306 3.679 30 20 BHED CC(C)C[C@H]1CCC[C@@H](NCC2(CC#N)CC2)C1 430021779 KGHKBCRBPVSKJJ-HUUCEWRRSA-N 248.414 3.875 30 20 BHED C=CCC1(C(=O)NCCC2CCCCC2)CCC1 478878419 GKCUBRPBZGBGIT-UHFFFAOYSA-N 249.398 3.819 30 20 BHED CC(C)=CCC[C@@H](C)CCN(C)[C@H](C)CC#N 482161715 FKOVORBLUULLRV-HUUCEWRRSA-N 236.403 3.993 30 20 BHED C=C1CCN(C(=O)[C@H](CC)CC2CCCC2)CC1 511134023 GJGHUSBOFFEQJL-OAHLLOKOSA-N 249.398 3.772 30 20 BHED CC#CCN1CCCCC[C@@H]1c1ccccc1 525632665 AJDSHIKQWDBQCR-MRXNPFEDSA-N 227.351 3.627 30 20 BHED C=CCCCc1nc(-c2ccc(Cl)cc2)no1 531369415 SSVWNFVJPLDLIY-UHFFFAOYSA-N 248.713 3.899 30 20 BHED CCC[C@@H]1CCCC[C@@H]1Nc1cc(C#N)ccn1 557561303 VQUYQNBFURETBB-KGLIPLIRSA-N 243.354 3.724 30 20 BHED C=CCC1(NCc2cccc(C#N)c2)CCCC1 594990520 ZPNIJBMMQNTKKB-UHFFFAOYSA-N 240.350 3.537 30 20 BHED C=CCCCN1CCC[C@@H](C(C)C)CC1 605150995 RHIYREZFIAGJFJ-CQSZACIVSA-N 209.377 3.711 30 20 BHED Cc1ccc(CSc2ccccc2C#N)nc1 610928439 GDKRUIROEIWLFS-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=CC[C@H]1CCCC[C@@H]1NCCCOC(C)C 657819074 DVJDEUUVWYKVMJ-GJZGRUSLSA-N 239.403 3.526 30 20 BHED CC(=NNc1ccccc1)c1sccc1C 733743082 DWDMHXXORPWNGO-UHFFFAOYSA-N 230.336 3.893 30 20 BHED CCON=C(C)c1ccc(-c2ccncc2)cc1 745203936 WWVBONDDIFJRAL-UHFFFAOYSA-N 240.306 3.509 30 20 BHED CC(=NOCC(C)C)c1coc2ccccc12 749632435 XVLYQQRWZIAFQV-UHFFFAOYSA-N 231.295 3.829 30 20 BHED CCC(CC)NN=C(C)CC1CCCC1 752731896 AJSFZEWDAUBCBD-UHFFFAOYSA-N 210.365 3.721 30 20 BHED Cc1cc(C)c(C=NNc2ccccc2Cl)[nH]1 760218811 HERZVQUCVYTROC-UHFFFAOYSA-N 247.729 3.731 30 20 BHED C=CC[C@H](C(=O)OCCC1CC1)c1ccccc1 778429655 YFTVBSYJVHJDBG-HNNXBMFYSA-N 244.334 3.690 30 20 BHED CCCCCC(C)=NNc1cccc(F)n1 795007974 AUDIUHRFYIGDRL-UHFFFAOYSA-N 223.295 3.589 30 20 BHED C[C@H](NN=C1CC[C@H](C)[C@@H](C)C1)c1ccncc1 819815855 DNBHGBMTPIBOAZ-AVGNSLFASA-N 245.370 3.544 30 20 BHED N#CC1(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCC1 841897970 JPUYKMKXJWVVOV-QLFBSQMISA-N 246.398 3.629 30 20 BHED Fc1ccc(NN=Cc2ccc(Cl)cc2)cc1 916268009 DFIGWNLJZASRTJ-UHFFFAOYSA-N 248.688 3.925 30 20 BHED Cc1cccc(Sc2ncc(C#N)cc2F)c1 1306949206 SFAZGDVBSVZXPD-UHFFFAOYSA-N 244.294 3.552 30 20 BHED C=C(Cl)CN[C@@H]1CC[C@@H](CCC(C)C)C1 1650315904 RUDQMYHZPRURCS-CHWSQXEVSA-N 229.795 3.933 30 20 BHED COc1ccc(C#N)cc1N[C@H](C)CCC(C)C 1658799939 RPNNLXJXAJFGAL-GFCCVEGCSA-N 246.354 3.803 30 20 BHED N#Cc1ccc(NCc2coc3ccccc23)cc1 83601629 DSCAKJNMZARZNH-UHFFFAOYSA-N 248.285 3.917 30 20 BHED C[C@H]1CCC[C@@H](C)CN1Cc1cc(C#N)cs1 93509325 XVSIUSDHBCQUSX-NEPJUHHUSA-N 248.395 3.630 30 20 BHED C=CCCC(=O)N(C)c1cccc(C(C)C)c1 102241335 RFBGEVDTYDSCCZ-UHFFFAOYSA-N 231.339 3.739 30 20 BHED C#CCCCCNC(=O)C[C@@H]1CCCCC1(C)C 122745106 VAMBRQVRIZKHDL-AWEZNQCLSA-N 249.398 3.513 30 20 BHED CCCCCCCSc1nncs1 125365557 VAXSWYKFWCHTFP-UHFFFAOYSA-N 216.375 3.601 30 20 BHED C=C[C@H](C)NC(=O)[C@@H](CC1CCCC1)C(C)C 155860645 MOIOVONIBYQFEK-JSGCOSHPSA-N 237.387 3.530 30 20 BHED CC(C)[C@H](C)N(Cc1cc(C#N)cs1)C1CC1 179496783 UTPOYDQSOQPHSN-NSHDSACASA-N 248.395 3.629 30 20 BHED CC#CCCCC(=O)Nc1cc(Cl)ccc1C 184896291 YQVZJUYMWXGYRO-UHFFFAOYSA-N 249.741 3.781 30 20 BHED CC#CCCCC(=O)N[C@H](C)CCCCCC 184995123 FRHXECDNRHCQCJ-CQSZACIVSA-N 237.387 3.655 30 20 BHED Cc1cc(C)nc(SCCC(C)(C)C#N)c1 229851710 IQPLVYLHJLAGMF-UHFFFAOYSA-N 234.368 3.730 30 20 BHED CC(C)C[C@H](C)CN(C)Cc1cccc(C#N)c1 302453176 XQYQBWHWWLDMED-AWEZNQCLSA-N 244.382 3.672 30 20 BHED C=CCCOc1ccc(Cl)c(Cl)c1 303770547 GYIUOXVBGNVWJO-UHFFFAOYSA-N 217.095 3.948 30 20 BHED C[C@H](C1CCC1)N(C)CCCCC(C)(C)C#N 325818873 LVKYIBMNHZRBJD-CYBMUJFWSA-N 236.403 3.827 30 20 BHED CCC(CC)CN(CCC#N)CCC(C)(C)C#N 345733181 KFIRDKQHYYYTTB-UHFFFAOYSA-N 249.402 3.578 30 20 BHED C=CCCC1(c2nc(C3CCCC3)no2)CC1 345878124 BFIAAOBOZIYYKN-UHFFFAOYSA-N 232.327 3.725 30 20 BHED Cc1cccc(C)c1/C=C/c1ccncc1C#N 349115952 YIURGMBEHYLQES-VOTSOKGWSA-N 234.302 3.741 30 20 BHED C=CCCCC(=O)N1CCC2(CCCC2)CC1 359126306 MWVMTHDJVZQAOY-UHFFFAOYSA-N 235.371 3.526 30 20 BHED C=C(C)CCN[C@H]1CCC[C@@H](C2CC2)C1 386901007 OTCSFZYVCYAUPQ-KGLIPLIRSA-N 207.361 3.511 30 20 BHED C=C(C)CCNCc1cc(Cl)ccc1F 387476242 UNBDUOBVKGNUMA-UHFFFAOYSA-N 227.710 3.535 30 20 BHED C=CCCCCCCNC(=N)Nc1ccccc1 393971938 ARUQYADSANPQMT-UHFFFAOYSA-N 245.370 3.759 30 20 BHED Cc1cccc(OCCC(C)(C)C#N)c1Cl 410315022 GMOZEGSZRACLSI-UHFFFAOYSA-N 237.730 3.967 30 20 BHED C=CCCCN(CC)Cc1c[nH]c2ccccc12 442891680 RWCHSTWZYYYYCX-UHFFFAOYSA-N 242.366 3.956 30 20 BHED CC[C@H](C)C[C@H](C)NC1CCC(C)(C#N)CC1 449168147 AHFLJJJHDACQSJ-HESLUPGFSA-N 236.403 3.873 30 20 BHED C=CC(C)(C)CNC(=O)c1cc(C(C)C)oc1C 452786408 XPYDOUCSWCWONQ-UHFFFAOYSA-N 249.354 3.653 30 20 BHED CC1(C#N)CCC(N[C@H](C2CCC2)C2CC2)CC1 453415952 INTQYIXOKOVANJ-HWOWSKLDSA-N 246.398 3.627 30 20 BHED C=CCCCC[C@@H](C)NCC(C)(C)CC#N 459728126 HWCOYIINUDSSEY-CYBMUJFWSA-N 222.376 3.651 30 20 BHED Cc1cc(C)cc(/C=C\c2ccncc2C#N)c1 470282260 GRQMSMBXXGWVDW-ARJAWSKDSA-N 234.302 3.741 30 20 BHED C=CCCCCNC(=O)[C@@H](CC)c1ccccc1 471669993 XWVRCUIWANBAJX-HNNXBMFYSA-N 245.366 3.653 30 20 BHED C=C(C)CN(CC)C(=O)[C@H]1CCCC[C@H]1CC 474788687 BLVJGYWMVQLQIC-KGLIPLIRSA-N 237.387 3.627 30 20 BHED C=CCOc1cccc(CNCCC=C(C)C)c1 480300826 LHTSYRMJMBNJFM-UHFFFAOYSA-N 245.366 3.697 30 20 BHED C=CC[C@@H](C)NC(=O)C[C@H]1CCCCC1(C)C 503468945 UMDXHOFKHQGNIE-CHWSQXEVSA-N 237.387 3.674 30 20 BHED CC(C)CN(CCCCF)c1ccc(C#N)cc1 509374709 SYKJCJAULLZHBN-UHFFFAOYSA-N 248.345 3.770 30 20 BHED C=CCCC[C@@H](C)N[C@@H](CC)C1CCOCC1 537309417 XQYRWYQQENCFHB-HIFRSBDPSA-N 239.403 3.526 30 20 BHED C=C(CC)CSCC(=O)Nc1ccccc1C 540193978 HEMZZHIKTPKISA-UHFFFAOYSA-N 249.379 3.633 30 20 BHED C=CCC(C)(C)CNC[C@H]1C[C@@H]1c1ccccc1 549829960 CVQWXSWJFAFYET-HZPDHXFCSA-N 243.394 3.982 30 20 BHED CC(C)(CCC#N)CN1CC(C)(C)[C@@H]2CCC[C@@H]21 552138415 PKUGQXOOXLFRMC-KGLIPLIRSA-N 248.414 3.827 30 20 BHED C=C(C)CN(CCCC)C1CCCCC1 558062609 GBPJPAGUBWIKLX-UHFFFAOYSA-N 209.377 3.997 30 20 BHED CC[C@@H](Cc1ccccc1)NC[C@@H](C)CCC#N 602531813 KYLRFFGLOZFVAV-HOCLYGCPSA-N 244.382 3.537 30 20 BHED C=CCCOc1ccc(Cl)cc1C(=O)CC 606754237 BOAAYYDQYDDNAK-UHFFFAOYSA-N 238.714 3.888 30 20 BHED C=CCCNC(=O)[C@H](CC(C)C)c1ccccc1 617616189 MRGIOAADCPUAKP-OAHLLOKOSA-N 245.366 3.509 30 20 BHED C=CCCC(=O)N[C@@H](CC)c1cc(C)ccc1C 629109598 IZXPTEZZNJLRDX-HNNXBMFYSA-N 245.366 3.837 30 20 BHED C=CCCCCCN(C)Cc1ccn(CC)c1 682778786 QJYXNBHBDATGSR-UHFFFAOYSA-N 234.387 3.686 30 20 BHED C[C@H](N[C@H](C)CC(C)(C)C#N)c1cccs1 695789203 VSLRTPXMQZFFHY-MNOVXSKESA-N 236.384 3.727 30 20 BHED CC(C)CON=CC[C@@H](C)c1ccccc1 755800572 CAMMMYVTGFZTBI-CYBMUJFWSA-N 219.328 3.839 30 20 BHED CCCCCCCCCCNC(=O)N1CCC1 756095304 NDNROUOQZDKOMU-UHFFFAOYSA-N 240.391 3.542 30 20 BHED C[C@H]1CCC(=NOC2CCCC2)C[C@@H]1C 767385789 MNYDBOVMPPTGHQ-QWRGUYRKSA-N 209.333 3.758 30 20 BHED C#CCCN[C@@H](c1ccccc1)C(CC)CC 775130260 NTFMPTIUUXERTN-MRXNPFEDSA-N 229.367 3.777 30 20 BHED CCCCCCCN[C@H]1CCC[C@@H]1CCOC 800483303 FTVWAFBBXCALGK-CABCVRRESA-N 241.419 3.752 30 20 BHED c1ccc2c(c1)CCCCC2=NOC1CCC1 812238421 UIOKXPBQCLMLMB-UHFFFAOYSA-N 229.323 3.686 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C=C/C1CCCC1 843573840 HDQDLYXOCJHAPD-XZHRJIJLSA-N 235.371 3.594 30 20 BHED CCCCCCCC(=O)NC1(C2CCC2)CC1 844883459 ICPYJOWMGFOUNV-UHFFFAOYSA-N 237.387 3.796 30 20 BHED C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCCC#N 847744684 WKBUVNRSIBNOAI-HZSPNIEDSA-N 249.354 3.604 30 20 BHED C=C(C)CN(CC)C(=O)/C=C(/C)c1cccs1 856765345 YEKSCJGXSRFVKM-XFXZXTDPSA-N 249.379 3.576 30 20 BHED C#CCCCCCCN(C)[C@@H](C)c1cccnc1 877317419 NBXBKGCVVLRMKS-HNNXBMFYSA-N 244.382 3.658 30 20 BHED C=CCN(Cc1cccc2cccnc12)C(C)C 917167949 JXFMMKPXVHWRFR-UHFFFAOYSA-N 240.350 3.631 30 20 BHED CC[C@H](C)N1CCC(c2ccc(C#N)cc2)CC1 1257445720 CYJAUZDVQXUUHM-ZDUSSCGKSA-N 242.366 3.536 30 20 BHED N#C[C@H]1CC[C@@H](N[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 1621404897 ZYSGJLNPZVNSDK-ZVDSWSACSA-N 246.398 3.627 30 20 BHED Cc1ccc(OCCCC(C)(C)C#N)cc1 57713383 QFGYEHPTJXVEDT-UHFFFAOYSA-N 217.312 3.704 30 20 BHED C[C@H](N[C@H](C)CC#N)c1cccc2ccccc12 68608474 UESSCZMNMFUGRX-OLZOCXBDSA-N 238.334 3.793 30 20 BHED CCc1ccc([C@@H](C)NCCC(C)(C)C#N)cc1 87591404 HSNPSKZXDQOQEX-CYBMUJFWSA-N 244.382 3.839 30 20 BHED CCC(CC)CN(CCC#N)C1CCCC1 93101058 VAWNHIRIYJHOPH-UHFFFAOYSA-N 222.376 3.581 30 20 BHED C=C(Cl)CN[C@H]1C[C@@H](C)c2c(C)cccc21 129795033 BPVKNDANAQIBRB-MFKMUULPSA-N 235.758 3.885 30 20 BHED C#CCCCCNC(=O)CCCCCC(C)C 156657565 PRNSCOPDZRZUGW-UHFFFAOYSA-N 237.387 3.513 30 20 BHED Cc1ncc(CSc2cccc(C#N)c2)s1 158757642 AFLUFJIICWAXLI-UHFFFAOYSA-N 246.360 3.616 30 20 BHED C=CC[C@@H](C)N[C@@H](C)CCc1ccc(OC)cc1 163321632 BPFIWWHFWGDWRS-KGLIPLIRSA-N 247.382 3.571 30 20 BHED CC(C)(C)CCCNCc1ccc(C#N)s1 165231306 LJTWPZUCIVBLJK-UHFFFAOYSA-N 236.384 3.536 30 20 BHED C[C@H]1CCC[C@@H](C)CN1CCCC(C)(C)C#N 174874165 VACZUMXOOQVGAP-KGLIPLIRSA-N 236.403 3.827 30 20 BHED C#CCCCN[C@H](C)CC(C)(C)c1ccccc1 181832371 OLCLCXRDNUAPPI-OAHLLOKOSA-N 243.394 3.746 30 20 BHED C=CCCCCCSCc1noc(CC)n1 192537254 FVCFFZPKXYBQCL-UHFFFAOYSA-N 240.372 3.612 30 20 BHED C=C(C)CN(C)[C@@H](C)c1c(F)cccc1F 194425721 VITBAUPMMZGIFH-JTQLQIEISA-N 225.282 3.534 30 20 BHED C[C@H]1CCCC[C@H]1Nc1cc(F)cc(C#N)c1 227605752 VFMLLRAJLKPQGG-IINYFYTJSA-N 232.302 3.688 30 20 BHED C[C@@H](c1ccccc1)N(CCCCC#N)C1CC1 263827300 SXLRQZOVOKFNRU-AWEZNQCLSA-N 242.366 3.906 30 20 BHED C=CC(C)(C)c1nc(-c2cscc2C)no1 296939540 QJJBPDKSBYBMFC-UHFFFAOYSA-N 234.324 3.570 30 20 BHED C[C@@H]1CC(C)(C)CC[C@@H]1Nc1ncccc1C#N 301579083 ZTNYDOHEMLERFP-YPMHNXCESA-N 243.354 3.580 30 20 BHED CC(C)[C@@H](C)Sc1c(C#N)cccc1C#N 302906224 WPRKTNSHAVVFHK-SNVBAGLBSA-N 230.336 3.567 30 20 BHED C=C(C)CCNc1ccc2scnc2c1 309082304 RLLREHLQJRPHRR-UHFFFAOYSA-N 218.325 3.674 30 20 BHED C=CCCN(C)Cc1cscc1C(F)(F)F 356393056 KOYHBZNDJUPOLB-UHFFFAOYSA-N 249.301 3.775 30 20 BHED N#CC1(CSCCCc2ccsc2)CC1 360935654 XFRZTHKPZOBYOE-UHFFFAOYSA-N 237.393 3.718 30 20 BHED C=CCC[C@H](NC[C@H]1CCCCS1)C1CC1 381181709 WQGNABLKXLGVSQ-KGLIPLIRSA-N 239.428 3.607 30 20 BHED C=C(CC)CN[C@H](C)c1cc(C)ccc1C 381257237 QZWLHANDWJSZMK-CQSZACIVSA-N 217.356 3.920 30 20 BHED CCCCCCCCN[C@@H](C)[C@H]1CCCOC1 388522856 XQSSSCGYXHCOSJ-GJZGRUSLSA-N 241.419 3.752 30 20 BHED C=CCCCCN[C@H](C)c1ccccc1F 390511882 ZOTORDRIAOOONK-GFCCVEGCSA-N 221.319 3.833 30 20 BHED C[C@H]1CC[C@H](C)N1CCC1(C#N)CCCCC1 411314603 FAPPVRPPYVSXHQ-KBPBESRZSA-N 234.387 3.723 30 20 BHED CCCC[C@@H](CC)NCc1ccc(C#N)s1 421354091 VHOBZLZNMYZHDB-LLVKDONJSA-N 236.384 3.678 30 20 BHED C=C(C)C(C)(C)C(=O)N1C[C@H](C)CCC[C@H]1C 425514977 RLGAAYZVCQVNNF-CHWSQXEVSA-N 237.387 3.626 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cccc(C)c1F 425565870 WRPMPTSOPVUJSZ-UHFFFAOYSA-N 235.302 3.675 30 20 BHED C=CCC[C@H](C)N[C@@H]1C[C@H]1c1ccccc1F 459654553 GIRMWCGBDLBFHH-CORIIIEPSA-N 233.330 3.626 30 20 BHED CC#CCCN1CCC[C@H]1c1ccc(C)cc1 462315826 RFXSTBBDYJIQQG-INIZCTEOSA-N 227.351 3.545 30 20 BHED C=CCCCCNC(=O)Nc1cc(C)ccc1C 473500481 YAKSFKRXKDXJTB-UHFFFAOYSA-N 246.354 3.781 30 20 BHED C=CCCCNc1cnc(-c2ccccc2)cn1 487763313 UJNXKWGVMBTKQX-UHFFFAOYSA-N 239.322 3.522 30 20 BHED C=C(C)CN(CC)[C@@H](C)c1ccccc1C 488492590 LPUAJQJFKQGLHK-AWEZNQCLSA-N 217.356 3.954 30 20 BHED Cc1cn(CCC2(C#N)CCCCC2)cc1C#N 515048096 NHLJNFPAABHJPG-UHFFFAOYSA-N 241.338 3.532 30 20 BHED C=CCSCc1ccccc1OC(C)C 522283439 HZSKQVTXQATQTB-UHFFFAOYSA-N 222.353 3.893 30 20 BHED CC[C@@H](C)CN(C)CC#Cc1cccc(Cl)c1 532615718 DSLRQLOAZNKHIW-CYBMUJFWSA-N 249.785 3.669 30 20 BHED C=CCCCCS[C@@H](C)c1nnc(C)o1 572858345 JRGNFQFFEWQNKX-VIFPVBQESA-N 226.345 3.529 30 20 BHED C=CCCCN1CCC[C@H](C(C)C)CC1 605150994 RHIYREZFIAGJFJ-AWEZNQCLSA-N 209.377 3.711 30 20 BHED C=C1CCN(C(=O)[C@@H](CCCC)C(C)C)CC1 621857347 YOUCKBBFTCTMLH-AWEZNQCLSA-N 237.387 3.627 30 20 BHED C=CC(C)(C)CNCc1cscc1Cl 648733040 RLXMQWZHXROIFC-UHFFFAOYSA-N 229.776 3.703 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H](C)C1CCCC1 678881259 BVDCDDGBIQLIGP-QWHCGFSZSA-N 237.387 3.674 30 20 BHED CC(=NNC1CCCC1)c1ccc(C)cc1C 727652514 QHFRCZNVPNGYAE-UHFFFAOYSA-N 230.355 3.560 30 20 BHED C=CC[C@@H](C)C(C)=NNc1ccc(C#N)cc1 727778482 JOOUKXGSWFLWFB-LLVKDONJSA-N 227.311 3.558 30 20 BHED C=CCCOC(=O)c1cccc(Cl)c1Cl 729072714 VELYPVNESKXJRH-UHFFFAOYSA-N 245.105 3.726 30 20 BHED C#CCCCOC(=O)C[C@H](CC)c1ccccc1 729073538 YXBRJOLLSWOSHF-AWEZNQCLSA-N 244.334 3.527 30 20 BHED CCCCCCCCc1nc(CC)no1 731793507 UQSRRPIUPOWLHV-UHFFFAOYSA-N 210.321 3.535 30 20 BHED C[C@@H](NN=C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 762420271 YZPDAISZBOIOEC-VRKREXBASA-N 242.366 3.759 30 20 BHED CC#CCCCC(=O)O[C@@H](C)c1ccccc1C 767099670 JHGKOJRQBAHHSN-AWEZNQCLSA-N 244.334 3.793 30 20 BHED CC(C)c1nccnc1NN=C1CCC[C@@H](C)C1 773091431 OTMUPYFFFHXRLO-LLVKDONJSA-N 246.358 3.578 30 20 BHED CCCC(CC)=NNc1ccc([N+](=O)[O-])cc1 776177758 ULYRFUFKWIOUJF-UHFFFAOYSA-N 235.287 3.573 30 20 BHED C/C(=C\Cl)CSc1cccc(F)c1C#N 797829918 RVIUDORIBBOPNS-VMPITWQZSA-N 241.718 3.932 30 20 BHED CCc1ccc(C(C)=NOC/C=C/Cl)cc1 811669159 WUCLODMNYBANCF-VGNFQKFRSA-N 237.730 3.742 30 20 BHED Cl/C=C/CON=C1CC[C@H]1c1ccccc1 811669357 DIPPLAKKWWPXQL-FQQPJRAQSA-N 235.714 3.689 30 20 BHED CC(CC(C)(C)C)=NNc1ccc(C)cn1 834954188 KNYGRSXSBWWBNZ-UHFFFAOYSA-N 219.332 3.614 30 20 BHED Cc1ccc(C=NOCc2ccccc2)s1 839419778 VESXWSLMJBCTPW-UHFFFAOYSA-N 231.320 3.607 30 20 BHED C=C(C)CON=C1CC(c2ccc(C)cc2)C1 844617826 RTBYMNITRJPWNM-UHFFFAOYSA-N 229.323 3.821 30 20 BHED CCCC(CCC)=NNCc1ccc(OC)cc1 917548144 BWBXLLKHBFFNMY-UHFFFAOYSA-N 248.370 3.741 30 20 BHED C=CCCN(C)C(=O)c1cc(C(C)(C)C)oc1C 935573121 MBCWPNQHQODOCA-UHFFFAOYSA-N 249.354 3.534 30 20 BHED C=C(C)CCC(=O)N1CCC[C@H]1C1CCCCC1 1337025134 ANZMFVPSMWGWDC-HNNXBMFYSA-N 249.398 3.914 30 20 BHED C=C(Cl)CN[C@@H](C)c1ccc(CC)cc1 37978959 MTDCFBHXXWMYHP-NSHDSACASA-N 223.747 3.652 30 20 BHED C=CCCNc1ccc(Br)cc1C 70591276 ILWLBAHOLIJBFB-UHFFFAOYSA-N 240.144 3.746 30 20 BHED Cc1ccccc1NCCCC(C)(C)C#N 83640760 PGGYFFUWOCCUIR-UHFFFAOYSA-N 216.328 3.737 30 20 BHED C[C@@H](NCCCC(C)(C)C#N)c1ccccc1 87596931 ZAJRNGISLAWHQQ-CYBMUJFWSA-N 230.355 3.667 30 20 BHED Cc1ccc(OCC2(CC#N)CC2)c(Cl)c1 88272182 LFRJOZWDYPRTNE-UHFFFAOYSA-N 235.714 3.721 30 20 BHED C[C@@H](NCc1ccc(C#N)s1)c1cccs1 135495214 LSFPGKYLUKFHHA-SECBINFHSA-N 248.376 3.532 30 20 BHED C=CCC[C@H](CCC)N[C@@H]1CCCSC1 159654220 VHAWKSWCOREYCS-QWHCGFSZSA-N 227.417 3.607 30 20 BHED C=CCCCC(=O)N1CCC[C@H]1[C@@H](C)CCC 178112430 RFWRWAAMUNYVGN-KBPBESRZSA-N 237.387 3.770 30 20 BHED C=CCCN[C@H](C)c1cccc(N2CCCC2)c1 181866901 MZKGYXMBGVCWRT-CQSZACIVSA-N 244.382 3.514 30 20 BHED C=CCC1(C(=O)N2CCC[C@@](C)(CC)C2)CCC1 188425326 SZCNEMKWLJZPRB-OAHLLOKOSA-N 249.398 3.772 30 20 BHED C#CCCCCN[C@H](C)c1csc(Cl)c1 191379460 ZTORNCIDFWZAPZ-SNVBAGLBSA-N 241.787 3.856 30 20 BHED C=C(C)CN(CC)[C@@H](C)c1cccc(F)c1 195732953 WGJOVHMPJBGVCT-LBPRGKRZSA-N 221.319 3.785 30 20 BHED C=CCCN(C)Cc1ccc2nc(C)ccc2c1 276202841 YYBULQXVSYJDBS-UHFFFAOYSA-N 240.350 3.551 30 20 BHED C[C@H](NC[C@H]1CCC[C@H]1C)c1ccc(C#N)cc1 300308276 LTHADFNVNPUBJJ-DVOMOZLQSA-N 242.366 3.645 30 20 BHED CC(C)C[C@@H](C)CNc1cccc(OCC#N)c1 302456549 XYUSLXSJPDTVMT-CYBMUJFWSA-N 246.354 3.683 30 20 BHED CC(C)(C#N)CCCSCCOC1CCC1 342090582 VUKKURPGXRQAAY-UHFFFAOYSA-N 241.400 3.619 30 20 BHED CC(C)[C@@H]1CCCCN1Cc1cccc(C#N)c1 353902673 UVBFLWANAKMZNN-INIZCTEOSA-N 242.366 3.569 30 20 BHED C=C(Cl)CN[C@@H](CC)[C@H](C)CCC 379377469 XTKQMJRRRSWBIU-KOLCDFICSA-N 203.757 3.543 30 20 BHED C=CCCCN[C@@H](C)[C@H]1CC2CCC1CC2 382074030 HJUYUAKATYPQGR-VXGQWTEUSA-N 221.388 3.757 30 20 BHED C=CC[C@H](CC)N[C@H]1CCc2cc(F)ccc21 393770094 SFCYJXDWUXUIPR-ZFWWWQNUSA-N 233.330 3.757 30 20 BHED C=CC[C@H](CC)NCc1ccc2cnccc2c1 393800362 RUDJEVBNROXKTP-INIZCTEOSA-N 240.350 3.679 30 20 BHED CCN(CCC1(C#N)CCCCC1)CC1CC1 411263217 SRNQQTWUNAKQJD-UHFFFAOYSA-N 234.387 3.582 30 20 BHED Cc1ccc(CC(C)(C)NCCCCC#N)cc1 419334916 NZSGVQFMONVCJE-UHFFFAOYSA-N 244.382 3.600 30 20 BHED C=CC(C)(C)CNC(=O)[C@H]1CCCC(C)(C)C1 452777378 UMWKOBIDLCNZQI-LBPRGKRZSA-N 237.387 3.531 30 20 BHED CC#CCCN1CCC(c2ccccc2C)CC1 462320835 SEMGVLGBUJWIIG-UHFFFAOYSA-N 241.378 3.588 30 20 BHED C=CCCCN1CCC[C@](C)(CCC)C1 464844011 BZWPZWQJKVIESL-AWEZNQCLSA-N 209.377 3.855 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cccc(CC)c1 467512878 JUNTXOOAKUVYEY-HNNXBMFYSA-N 231.339 3.790 30 20 BHED C=CCCCCNC(=O)[C@H](C)c1cccc(C)c1 471705863 MCKLJEOLJCFOTD-CQSZACIVSA-N 245.366 3.571 30 20 BHED C=CCN[C@H](c1ccccc1F)C1CCCC1 538225371 VWGHARMXALTVBG-HNNXBMFYSA-N 233.330 3.833 30 20 BHED C=CCN[C@@H](c1ccccc1F)C1CCCC1 538225374 VWGHARMXALTVBG-OAHLLOKOSA-N 233.330 3.833 30 20 BHED C=CCCCC(=O)NC(C)(C)c1ccccc1F 557441928 MEWCZMKJCKBRJS-UHFFFAOYSA-N 249.329 3.533 30 20 BHED CC(C)[C@@H]1CCC[C@H](NC[C@H](C)CCC#N)C1 602544072 IRAYZQMIKDVLCF-KFWWJZLASA-N 236.403 3.731 30 20 BHED C=CCCCSc1ncnc2ccccc12 735412891 KDPZOCHLYLYSPJ-UHFFFAOYSA-N 230.336 3.688 30 20 BHED CCCCCC=NNc1ncnc2sccc12 755588774 HYKPKAGJBHAJJJ-UHFFFAOYSA-N 248.355 3.669 30 20 BHED C=C(Cl)CSc1ccc(OCC)cc1 761079151 VLSCDAVAEFBUTB-UHFFFAOYSA-N 228.744 3.930 30 20 BHED C=C(Cl)COc1ccc(C(=O)CC)cc1F 768400571 GZEBZMQDMZBPCE-UHFFFAOYSA-N 242.677 3.550 30 20 BHED CCOCCON=C[C@H](C)CC1CCCCC1 774418676 YNSQITPMGPRXGF-CYBMUJFWSA-N 241.375 3.632 30 20 BHED Cc1cc2ccccc2nc1NN=CC(C)C 776782364 JUYRKQMCBQTXRI-UHFFFAOYSA-N 227.311 3.597 30 20 BHED C=C(C)CNC(=O)c1ccc([C@@H](C)CC)cc1 777833518 CVWBGIOADYRDID-LBPRGKRZSA-N 231.339 3.506 30 20 BHED C=CCCCCCCCNC(=O)N(C)C(C)C 809852717 JEUCGEPNCAPJNF-UHFFFAOYSA-N 240.391 3.563 30 20 BHED CC(C)(C)CC=NNc1ccc(F)c(F)c1F 814945455 XIIGNKBHUMSEIX-UHFFFAOYSA-N 244.260 3.938 30 20 BHED C=C(C)C(C)(C)C(=O)O[C@@H](C)c1cnccc1C 820499014 IISQNJPNXBVISN-LBPRGKRZSA-N 247.338 3.597 30 20 BHED C=C(C)CON=CCc1ccc(F)cc1Cl 844618389 SHEQQSGNFRZBOD-UHFFFAOYSA-N 241.693 3.600 30 20 BHED C=CCC[C@@H](C)OC(=O)CC1(C#N)CCCCC1 849907138 UTOHJQGAWYELRZ-CYBMUJFWSA-N 249.354 3.748 30 20 BHED CCCC[C@H](C)C(=O)O[C@H](C)CC(C)(C)C#N 851204110 JSKOVMGDBOZFIB-NWDGAFQWSA-N 239.359 3.684 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1c(C)cccc1C 933788367 YXCGBDSKUVXYTP-ZDUSSCGKSA-N 231.339 3.844 30 20 BHED CC[C@@H]1CCC[C@@H](CN(CCC#N)CC2CC2)C1 1180030818 QCQHJIKBGICPIT-GDBMZVCRSA-N 248.414 3.828 30 20 BHED C=C[C@H](COC)N[C@@H](C)c1ccc(C(C)C)cc1 1255020107 XWCWWYSCDRLQIW-XJKSGUPXSA-N 247.382 3.662 30 20 BHED Cc1cc(NCC2(C)CCCCC2)ncc1C#N 1307134938 UDKAWWYYOWVBBG-UHFFFAOYSA-N 243.354 3.644 30 20 BHED C=C(Cl)CNCc1ccccc1C(C)C 1620809982 YTNWGZQQTZGBJV-UHFFFAOYSA-N 223.747 3.652 30 20 BHED CC[C@H](Nc1ncc(Cl)c(C)c1C#N)C1CC1 1655679577 CSXHCQJTBOPGHS-LBPRGKRZSA-N 249.745 3.516 30 20 BHED C=C(Cl)CSCc1noc2c1CCCC2 108878147 IAJQUPSAHCBTOZ-UHFFFAOYSA-N 243.759 3.539 30 20 BHED CC[C@H](C#N)SCc1cc(C)ccc1C 127720825 FKSUMSPREJSEMU-CYBMUJFWSA-N 219.353 3.839 30 20 BHED N#Cc1csc(CNCCCC2CCCC2)c1 177683004 RYUOMAJJTBWIKB-UHFFFAOYSA-N 248.395 3.680 30 20 BHED C=CCCC(=O)Nc1c(F)cc(Cl)cc1F 180328080 GPXBZAICQRIBCB-UHFFFAOYSA-N 245.656 3.523 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc(N(C)CC)cc1 180953591 NREDNYFDFXSSPI-KBPBESRZSA-N 246.398 3.758 30 20 BHED C=CCC[C@@H](Nc1cnn(C(C)(C)C)c1)C1CC1 183393230 XDMANUXQRDYTTA-CQSZACIVSA-N 247.386 3.795 30 20 BHED C#CCC(C)(C)C(=O)N[C@H](C)CCCCCC 184995090 YHNAEEHJUWSNLG-CYBMUJFWSA-N 237.387 3.511 30 20 BHED CSc1ccccc1N[C@H]1CCC[C@@H](C#N)C1 185735793 SHJOJFVTRIEETC-NEPJUHHUSA-N 246.379 3.903 30 20 BHED CCN(CCCC(C)(C)C#N)c1cccc(O)c1 191555599 IHBHRBBNNJWRNL-UHFFFAOYSA-N 246.354 3.548 30 20 BHED C=CCCC[C@H](C)N[C@H]1CC[C@H]1C1CC1 308876518 SJGATCXCOKRCFL-UBHSHLNASA-N 207.361 3.509 30 20 BHED C=C(CC)CN[C@@H](C)c1nc2ccccc2s1 313496861 JPHOMTBUQGFXAA-NSHDSACASA-N 246.379 3.913 30 20 BHED N#Cc1ccc(SCC2(C#N)CC2)c(Cl)c1 334321467 WWESFVZEIIFFHB-UHFFFAOYSA-N 248.738 3.608 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCCc2c(O)cccc21 340535006 CPJOMGUXUDNTHJ-SWLSCSKDSA-N 245.366 3.714 30 20 BHED C=CCCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 352246858 JWCZSWJYYHFHJG-DOMZBBRYSA-N 245.366 3.944 30 20 BHED C=C(C)CCN[C@H]1CCCC12CCCC2 386857593 JAWKCHGSUOHWHZ-ZDUSSCGKSA-N 207.361 3.655 30 20 BHED CC1=C(C)CN(CCC2(C#N)CCCCC2)CC1 411683455 RHWAFQBKRNBJLL-UHFFFAOYSA-N 246.398 3.893 30 20 BHED C=CCCC(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C 416295721 UIZUWPBVNPIDKP-QWHCGFSZSA-N 237.387 3.626 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)c1ccccc1 425422286 SAACKDRULQMRKQ-ZDUSSCGKSA-N 245.366 3.808 30 20 BHED CCC[C@H](N[C@H]1CC[C@H](C#N)C1)C1CCCC1 449246404 BQIREXNXUUYOKR-QEJZJMRPSA-N 234.387 3.627 30 20 BHED C=C[C@H](C)NC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 465152324 SQIBOYHBYCBIBJ-KCQAQPDRSA-N 245.366 3.507 30 20 BHED C=CCCC[C@@H](C)NC1CC(OC(C)(C)C)C1 495025321 HALXJDOCLYJXKI-IYXRBSQSSA-N 239.403 3.667 30 20 BHED CCC(CC)Sc1ncc(C#N)cc1Cl 513650042 IQXHVLIUPNXDDV-UHFFFAOYSA-N 240.759 3.887 30 20 BHED C=CCCN[C@H](c1ccc(F)c(C)c1)C1CC1 539425817 WNPUKDLJVSOCSA-HNNXBMFYSA-N 233.330 3.751 30 20 BHED CC(C)[C@H](C)N(C)CC#Cc1cccc(Cl)c1 562487089 ZDBZRAXTYXWXQP-ZDUSSCGKSA-N 249.785 3.668 30 20 BHED N#CCCCSc1ccc(Cl)cc1C#N 610654842 FVZPDJLDFAPXQD-UHFFFAOYSA-N 236.727 3.608 30 20 BHED C=C(C)CNc1ccccc1SC[C@@H](C)C#N 731028922 UYGSTDWQVUGDEI-LBPRGKRZSA-N 246.379 3.926 30 20 BHED CCC(=NNc1cccc(C)c1)C1CC1 741160094 JEEGQPCQHYPKFB-UHFFFAOYSA-N 202.301 3.583 30 20 BHED CC(=NOCC(C)C)c1cc(F)c(F)c(F)c1 749625503 CVCSLPUPKWCREQ-UHFFFAOYSA-N 245.244 3.501 30 20 BHED CC[C@H](C)C=NNc1cc(F)c(F)cc1F 755729691 BUHZDJCQLJEERA-ZETCQYMHSA-N 230.233 3.548 30 20 BHED Cc1oc2ccccc2c1C=NNC1CCCC1 758119887 GXNBWXVXXWQUEN-UHFFFAOYSA-N 242.322 3.607 30 20 BHED C=CCCCCCOC(=O)CCC(F)(F)F 783915496 OHHDVEFDPLUPEU-UHFFFAOYSA-N 238.249 3.619 30 20 BHED CCCCCCCC(=O)NC12CCC(CC1)C2 784361907 GOXCYZXAJZWGOR-UHFFFAOYSA-N 237.387 3.796 30 20 BHED CCON=C[C@H](C)c1ccc(C(F)(F)F)cc1 788975670 RDGCTIGARBGHEA-VIFPVBQESA-N 245.244 3.831 30 20 BHED Cc1cccnc1NN=C1CCC[C@H](C2CC2)C1 790185939 LKSVGCDZKSHKFB-ZDUSSCGKSA-N 243.354 3.758 30 20 BHED CCCCNN=C(C)c1c(F)cccc1Cl 807964006 TYHNPWWFJSUSJZ-UHFFFAOYSA-N 242.725 3.593 30 20 BHED Clc1csc(C=NNCC2CCCC2)c1 808007026 MJVLLGCQXNMIIH-UHFFFAOYSA-N 242.775 3.515 30 20 BHED Cc1ncccc1/C=C1\C(=O)c2ccccc2[C@H]1C 809158100 XZEMDTLMYCJAFE-FFCYNSPCSA-N 249.313 3.773 30 20 BHED C=C(C)C(C)(C)C(=O)Oc1cccc(C)c1 819940728 BSFPNIFZZRSONF-UHFFFAOYSA-N 218.296 3.503 30 20 BHED C=CCC1(N[C@@H](C)CCCCC)CCOCC1 827146968 LYTHDIPLQRGXLD-AWEZNQCLSA-N 239.403 3.670 30 20 BHED CC(C)c1ccc(NC(=O)C#CC(C)(C)C)cc1 837307449 SEDHNOVUOHQDDQ-UHFFFAOYSA-N 243.350 3.798 30 20 BHED C#CCC[C@H](C)OC(=O)C[C@@H](C)c1ccccc1 839032636 RSLPGDHNJKNURS-KGLIPLIRSA-N 244.334 3.525 30 20 BHED CCCON=C1CC(C)(c2ccccc2)C1 842556197 ISHOZUMPSJODEH-UHFFFAOYSA-N 217.312 3.521 30 20 BHED CC[C@@H]1CCCC1=NNc1ccc(Cl)cn1 853437165 CWAUPMFTHUQDSC-SECBINFHSA-N 237.734 3.713 30 20 BHED CC(C)Nc1ccccc1NCC1(CC#N)CC1 871846356 XYVZHSUWFQVFFN-UHFFFAOYSA-N 243.354 3.613 30 20 BHED C=C(CC)CN[C@@H](CC)c1cccc(C#N)c1 903014044 MIDBQDJJNQELBP-HNNXBMFYSA-N 228.339 3.565 30 20 BHED CC[C@H](C#N)SCc1cccc(F)c1F 918861080 IJPKHUFEJOBNHF-SECBINFHSA-N 227.279 3.500 30 20 BHED CN(CCCCC1(C#N)CCC1)C(C)(C)C 930824854 KDNSSCLMCWPCMP-UHFFFAOYSA-N 222.376 3.581 30 20 BHED C=C(C)CCC(=O)Nc1ccc(C)cc1Cl 1335336047 ARSABKAKMFJZAZ-UHFFFAOYSA-N 237.730 3.943 30 20 BHED C=CCCC(=O)N1CCCCC[C@H]1c1ccco1 76496315 NSEOFUBITUTMIU-ZDUSSCGKSA-N 247.338 3.690 30 20 BHED C=CCC[C@H](C)Nc1ccc(OC)cc1C 126902580 IZURQTZRFQAVSX-LBPRGKRZSA-N 219.328 3.770 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc(C)s1 161664135 WGDGEZXKHAWUDN-GXSJLCMTSA-N 209.358 3.672 30 20 BHED Cc1ccc(C(=O)/C=C\c2cccc(O)c2)s1 206429134 XQAVHHNTDYUFSD-SREVYHEPSA-N 244.315 3.658 30 20 BHED C=CC[C@H](C)N[C@@H]1CC[C@H](C)C[C@@H]1CC 252730343 KYIKVCSGAYDLES-XDQVBPFNSA-N 209.377 3.755 30 20 BHED CC(C)(C#N)CCN1CCSc2ccccc21 271953834 BQETZMITXAIOAK-UHFFFAOYSA-N 246.379 3.539 30 20 BHED CSc1ccc(CS[C@@H](C)C#N)cc1 279898932 IRVAOHHFVRBLSQ-VIFPVBQESA-N 223.366 3.554 30 20 BHED CSCSc1ccc(C#N)cc1Cl 306469189 PAAGQEQTPAWGPM-UHFFFAOYSA-N 229.757 3.624 30 20 BHED CC(C)C(NCCCC(C)(C)C#N)C(C)C 309327705 GZEGBAFAJCCYIW-UHFFFAOYSA-N 224.392 3.587 30 20 BHED N#CC1(CSc2ccc(F)c(Cl)c2)CC1 349162030 VJXMFEHRQKMKHE-UHFFFAOYSA-N 241.718 3.875 30 20 BHED C=CCC[C@@H](NC[C@@H]1CCCCS1)C1CC1 381181710 WQGNABLKXLGVSQ-UONOGXRCSA-N 239.428 3.607 30 20 BHED N#Cc1cc(Cl)cc(O[C@@H]2C=CCCC2)c1 390055264 MRCPWKTVGPPZPU-GFCCVEGCSA-N 233.698 3.699 30 20 BHED CC[C@]1(C)CCN(c2ccc(C#N)c(Cl)c2)C1 399346635 YCLSLZKDRXKXBU-CQSZACIVSA-N 248.757 3.838 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 410138012 ZOBQLXCZUYBRDQ-ZOBORPQBSA-N 237.387 3.530 30 20 BHED C=CCC1(C(=O)N(CC)CC2CC2)CCCCC1 448969237 NFNPOFAPQXFSLL-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CC(C)(C)CN[C@@H](CCC)c1cccnc1 453302753 ATQQZMHTRISPOZ-AWEZNQCLSA-N 232.371 3.725 30 20 BHED C=C(C)CN(Cc1ccccc1)C(=O)CC(C)C 470643422 WIIOJNQQIGUMLZ-UHFFFAOYSA-N 245.366 3.637 30 20 BHED C=C[C@H]1CCCCN1C(=O)CC1CCCCC1 488825919 OLPAEDKOEFDEIS-AWEZNQCLSA-N 235.371 3.524 30 20 BHED CC#CCCNC[C@@H](CCC)c1ccccc1 499214027 OEGQOOGQGVZGSW-MRXNPFEDSA-N 229.367 3.573 30 20 BHED C=C(C)CN1CCC(=Cc2cccc(F)c2)CC1 533080820 ISRXUZJXWLATJA-UHFFFAOYSA-N 245.341 3.881 30 20 BHED C=CCN(CCc1ccccc1Cl)C1CC1 538957290 UXTFDWXYBCKVTN-UHFFFAOYSA-N 235.758 3.533 30 20 BHED C=CCCCN[C@H](C)C(C)(C)c1ccccc1 540354927 UJBQXWDMFQDUGL-CQSZACIVSA-N 231.383 3.909 30 20 BHED C=CCCC[C@H](C)NC(=O)c1ccc(C)c(F)c1 540539612 OFDSNQSDPSXOLF-LBPRGKRZSA-N 249.329 3.609 30 20 BHED C=CCCCC(=O)N[C@H](C)c1c(C)cccc1C 545455032 WSIIMQOMWMVZFR-CQSZACIVSA-N 245.366 3.837 30 20 BHED C=C(CC)CSCCc1cccc(C)n1 573966726 JYTCOKUPENQLII-UHFFFAOYSA-N 221.369 3.632 30 20 BHED C[C@@H](Sc1cccc(F)c1C#N)C(F)(F)F 590596221 BVFYZGNKHRQFFO-ZCFIWIBFSA-N 249.232 3.740 30 20 BHED N#Cc1ncccc1SCCCC1CCC1 594902555 STMDEZSCWXFFRV-UHFFFAOYSA-N 232.352 3.626 30 20 BHED CCc1cccc(NC[C@H](C)CCC#N)c1 602484134 NIFZHPNXIFZUFH-GFCCVEGCSA-N 216.328 3.601 30 20 BHED C[C@H]1CCCC1=NNc1c(F)cccc1F 735614734 ABZOUJXOIGFFCV-QMMMGPOBSA-N 224.254 3.553 30 20 BHED CCCCCC[C@@H](C)NN=C(C)c1ccncc1 743449788 BIQQBJKNPRKRQM-CYBMUJFWSA-N 247.386 3.754 30 20 BHED CC(=NOCC(F)(F)F)c1cccc(C)c1C 764845385 WUFMOYCAOHPFQR-UHFFFAOYSA-N 245.244 3.606 30 20 BHED CC1(C)CCCC[C@H]1NN=C/C=C\c1ccco1 773123565 ABDJHQYGTHHQBH-VCVFGSIVSA-N 246.354 3.837 30 20 BHED C[C@@H](c1cccc(C#N)c1)N1CCCCCCC1 777401120 KRTKEOWPIJWEKL-AWEZNQCLSA-N 242.366 3.885 30 20 BHED CC1(C)CCC(=NNc2ccc(F)cc2F)C1 783774580 XHSUKJCKDVWSPP-UHFFFAOYSA-N 238.281 3.943 30 20 BHED CCc1cccc(C)c1NN=C[C@@H]1CCSC1 799493452 CABCUZWQWDGLBV-LBPRGKRZSA-N 248.395 3.708 30 20 BHED C#C[C@H](CC)N[C@H](C)[C@@H](C)c1ccc(Cl)cc1 809686337 MIHJQYBEHPAVKQ-LALPHHSUSA-N 249.785 3.833 30 20 BHED C#C[C@@H](N[C@@H](C)C1CCC1)c1ccc(Cl)cc1 811517180 KCYGQOTUDZGDCX-XHDPSFHLSA-N 247.769 3.793 30 20 BHED CC(CCC1CCCC1)=NOCCOC(C)C 812240029 IRZHLPFYHDIIML-UHFFFAOYSA-N 241.375 3.774 30 20 BHED C=CCN(C(=O)[C@@H](C)c1ccc(C)o1)C(C)(C)C 857651005 NZSGNINSBVEVKM-LBPRGKRZSA-N 249.354 3.505 30 20 BHED CCCCCCCNC(=O)C(C)(C)C1CC1 862355293 HTFKDEBHURYXLL-UHFFFAOYSA-N 225.376 3.509 30 20 BHED Cc1cccc(NN=Cc2ccc(F)cc2F)c1 916256439 YISGFOVQIPWVBY-UHFFFAOYSA-N 246.260 3.719 30 20 BHED CC1(C)CC[C@@H]1NCCCCC1(C#N)CCC1 930631184 NCTPPMPQRNWECL-ZDUSSCGKSA-N 234.387 3.629 30 20 BHED C=C(C)CCC(=O)N[C@H](C)c1ccccc1C 1337395863 LYIRPFZJOQJJSJ-CYBMUJFWSA-N 231.339 3.529 30 20 BHED Cc1ccc(C)c(CS[C@@H](C#N)C2CC2)c1 1613544986 YGCIPMRQJVJQAY-AWEZNQCLSA-N 231.364 3.839 30 20 BHED N#Cc1cc(Cl)ccc1N1CCCCCC1 39076868 SUHOXTBNXQNPBY-UHFFFAOYSA-N 234.730 3.592 30 20 BHED Cc1ccc(C)c(CNc2ccc(C#N)cc2)c1 42227227 RMMXJWKLLXWDOV-UHFFFAOYSA-N 236.318 3.787 30 20 BHED CC1CCC(N(C)c2ccc(C#N)cc2F)CC1 42488164 BKCBUGOFEQZOTQ-UHFFFAOYSA-N 246.329 3.712 30 20 BHED N#CCCCN1CCC[C@H]1c1ccc(Cl)cc1 51423092 ZAWLNBDLOGDNMF-AWEZNQCLSA-N 248.757 3.781 30 20 BHED C=C(C)CN1CCCSc2ccccc21 57598906 YHKCLFZECKBQMC-UHFFFAOYSA-N 219.353 3.565 30 20 BHED Cc1ccc(C(=O)/C=C\c2ccccc2C)o1 96920971 KNGXJZPMJHYGEK-HJWRWDBZSA-N 226.275 3.793 30 20 BHED C=CC[C@@H](C)NCc1cccc(OCCC)c1 116926857 XXUBJZHTEJWHRQ-CYBMUJFWSA-N 233.355 3.530 30 20 BHED CCCCCCCCCCC(=O)N(C)CC 205125501 ROBFARKICBBYIB-UHFFFAOYSA-N 227.392 3.996 30 20 BHED Cc1nc(SCCCC(C)(C)C#N)oc1C 223529828 RDELHMJSVAEXPR-UHFFFAOYSA-N 238.356 3.714 30 20 BHED C[C@H]1C[C@@H](C)C[C@H](Nc2cccc(C#N)c2)C1 252173683 RPPGAQKURNLGRP-JYAVWHMHSA-N 228.339 3.795 30 20 BHED C=CCCc1csc(C2CCCC2)n1 341261627 PJFCMLBXSSLUCI-UHFFFAOYSA-N 207.342 3.919 30 20 BHED CC1(C)CCC(Cn2ccc(C#N)c2)CC1 358883600 RNHRXDLGWAOAES-UHFFFAOYSA-N 216.328 3.576 30 20 BHED C=CCC[C@@H](C)N[C@H](CC(F)(F)F)C(C)C 381451878 GZBPXPHFKPICCW-GHMZBOCLSA-N 237.309 3.908 30 20 BHED C=CC[C@H](CC)NC(=O)CCCC1CCCC1 410138150 CWFOTLFGPCNYTH-AWEZNQCLSA-N 237.387 3.818 30 20 BHED CC1(C)CCC(CSCCC#N)CC1 413017642 ZSXSESKXAHKWIR-UHFFFAOYSA-N 211.374 3.850 30 20 BHED C=CCC[C@H](NCc1ccc(C)c(C)n1)C1CC1 414165710 MKKRPYJMVWXQHD-INIZCTEOSA-N 244.382 3.533 30 20 BHED CC/C=C/CN[C@H](CC)c1ccc(C#N)cc1 453329156 UORQRGFQYMMVEE-LLYBFZRZSA-N 228.339 3.565 30 20 BHED C=CCC1(CNC(=O)[C@H]2CC=CCC2)CCCC1 456483726 HVIMFQVGUUDVNT-AWEZNQCLSA-N 247.382 3.595 30 20 BHED CC1=CCC[C@H](C)[C@H]1CNCC(C)(C)CC#N 459730464 MPIYATZSODDWOF-KBPBESRZSA-N 234.387 3.508 30 20 BHED C[C@@H](CS[C@H](C#N)C1CC1)c1ccccc1 601081247 MVLBGYXGJGNWLV-SMDDNHRTSA-N 231.364 3.825 30 20 BHED CC(C)CCC[C@@H](C)NC[C@H](C)CCC#N 602504454 QEUZKMYUURSXPR-ZIAGYGMSSA-N 224.392 3.731 30 20 BHED C[C@H](CCC#N)CNC(C)(C)c1ccccc1F 602673834 SPHSYXKPVYQHGV-GFCCVEGCSA-N 248.345 3.590 30 20 BHED CC(C)(C)c1ccc(C#N)c(NC2CCCC2)n1 613409266 RVAPEYCJBPVZKW-UHFFFAOYSA-N 243.354 3.605 30 20 BHED C=CCCCCN[C@@H](C)c1ccc(C)nc1C 681140059 QZFHDNCJYXEJLM-ZDUSSCGKSA-N 232.371 3.705 30 20 BHED CC(CC1CCC1)=NNc1cccc(C#N)c1 758374669 UATZHQFDZBLOLT-UHFFFAOYSA-N 227.311 3.536 30 20 BHED C[C@@H]1CC(C)(C)CC1=NNc1cccc(C#N)c1 766010784 NOVUXXBYMBTDCI-LLVKDONJSA-N 241.338 3.782 30 20 BHED Cc1ccc(C)c(NN=Cc2cc(C)oc2C)c1 767896629 JQORTAWSFIKEDM-UHFFFAOYSA-N 242.322 3.959 30 20 BHED C=CCCC(=O)Oc1cccc(C)c1Cl 774655874 YHLIEJCOYDMVLG-UHFFFAOYSA-N 224.687 3.520 30 20 BHED C#CCCCCCC(=O)Nc1c(C)cccc1C 779719730 NAFJLRIBVYIKGI-UHFFFAOYSA-N 243.350 3.826 30 20 BHED CC[C@@H](C)NN=C1CCC[C@@H]1Cc1ccccc1 790186956 CXZZAZYXDXBXTH-UKRRQHHQSA-N 244.382 3.773 30 20 BHED C[C@@H]1CC[C@H](C=NNc2ccccc2)C1 800804039 QPQASHPOGUPBDH-NEPJUHHUSA-N 202.301 3.521 30 20 BHED CC(C(=O)O[C@H]1CCC[C@@H](C#N)C1)=C1CCCC1 839052426 GPDBFROHFARSKF-OCCSQVGLSA-N 247.338 3.502 30 20 BHED C=C1CCC(C(=O)Nc2ccc(F)cc2C)CC1 887660657 UDIOMUIVJWBJQK-UHFFFAOYSA-N 247.313 3.819 30 20 BHED CN(Cc1ccccc1C#N)CC1CCCCC1 42238304 AQYSCJJKWKZWFR-UHFFFAOYSA-N 242.366 3.570 30 20 BHED Cc1ccc(C#N)c(NC2CCCCCCC2)n1 43395403 FZSVHBNHYASQBB-UHFFFAOYSA-N 243.354 3.787 30 20 BHED C=C(C)CN[C@@H](C)c1cccc(Cl)c1 49855296 UUCBZYNUTCMABB-JTQLQIEISA-N 209.720 3.567 30 20 BHED C=C(Br)CN(CC(C)C)CC(C)C 57753634 CBALTDANIJKZKO-UHFFFAOYSA-N 248.208 3.509 30 20 BHED C#CCCCCN[C@H]1CCc2cc(Cl)ccc21 90397807 QZRPDGNGDDNJHG-HNNXBMFYSA-N 247.769 3.720 30 20 BHED C=CC[C@H](C)NCc1cccc(C(F)(F)F)c1 116927073 OFCRSGAOWHDULL-JTQLQIEISA-N 243.272 3.760 30 20 BHED C=CCCCN(CC)[C@H](C)c1cccc(O)c1 178373424 OTXQXPZSCAFDBS-CYBMUJFWSA-N 233.355 3.741 30 20 BHED O=C(/C=C\c1cc2ccccc2o1)c1ccco1 255141049 FSISCYNVRCFEOO-FPLPWBNLSA-N 238.242 3.922 30 20 BHED N#Cc1ccc(/C=C\C(=O)c2cccs2)s1 255279642 WLJYBMGANWGJBH-WAYWQWQTSA-N 245.328 3.577 30 20 BHED CC(C)[C@@H](N[C@H](C)CCC#N)c1ccccc1 276357580 XVJHMNOKUPHJBO-UKRRQHHQSA-N 230.355 3.666 30 20 BHED C=C(Cl)COc1ccc(Cl)c(C)c1 306316329 QZHOWXTVGJYRGC-UHFFFAOYSA-N 217.095 3.780 30 20 BHED CCC[C@H](CC)Nc1ccc(Cl)c(C#N)n1 309685647 HIDVUCINVNDZHP-VIFPVBQESA-N 237.734 3.597 30 20 BHED C=CCCCCNCc1ccc2cc[nH]c2c1 310093493 STQFKGXOGOCHKN-UHFFFAOYSA-N 228.339 3.614 30 20 BHED CC(C)CN(CCCCC#N)c1ccccc1 310223920 NUZLKQJOPINCTL-UHFFFAOYSA-N 230.355 3.843 30 20 BHED C=CC[C@H](C)N[C@H]1CCCC12CCCC2 328157549 HFKFYJUPCWGWIP-STQMWFEESA-N 207.361 3.654 30 20 BHED N#C[C@H]1CCC[C@H](Nc2ccc3ccoc3c2)C1 336574399 IILRCWMPRNGEAV-AAEUAGOBSA-N 240.306 3.927 30 20 BHED CC(C)(CCC#N)CN[C@H]1CC12CCCCC2 386906806 CCVHPKWCKYLYKP-ZDUSSCGKSA-N 234.387 3.629 30 20 BHED C=CCN(CC1CCCCC1)[C@@H](C)CCC#N 411258051 LIRUQRDHHBFNAI-AWEZNQCLSA-N 234.387 3.747 30 20 BHED Cc1ccc([C@H]2CCCN2[C@H](C)CCC#N)s1 411281700 NQKOKLIHHAREFI-DGCLKSJQSA-N 248.395 3.886 30 20 BHED N#CC1(CCSCC2CC2)CCCCC1 413002971 OZOUXLFWMTYOQV-UHFFFAOYSA-N 223.385 3.994 30 20 BHED CC[C@H]1CCCC[C@H]1N(C)CC1(C#N)CCC1 450814210 XZBWWVJSYZZFLI-UONOGXRCSA-N 234.387 3.581 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@H]1CCC[C@H]1C 469815454 FGFJXZZZVMZZAR-HZSPNIEDSA-N 237.387 3.674 30 20 BHED C=CCCCCNC[C@H]1C[C@@H]1c1ccccc1 472052700 FWAQSXZRFUGVPX-HZPDHXFCSA-N 229.367 3.736 30 20 BHED C=CCN(Cc1ccccc1F)CC1(C)CC1 518045384 OJNHEPLIXABLAR-UHFFFAOYSA-N 233.330 3.614 30 20 BHED CC(C)N(CCC#N)Cc1cc2ccccc2o1 534341815 ZMBHDBOXOYNGEJ-UHFFFAOYSA-N 242.322 3.557 30 20 BHED C=CC[C@@H]1N(C(=O)C[C@H]2C[C@H]2C)CCCC1(C)C 574327812 NAIFLKXAKKIXFH-MCIONIFRSA-N 249.398 3.626 30 20 BHED COCc1ccc(S[C@@H]2CC[C@@H](C#N)C2)cc1 590728722 QNESFJJJGXZMTN-TZMCWYRMSA-N 247.363 3.617 30 20 BHED C=CCCCSCCc1cccc(C)n1 592453041 UOGBZSCRTDDTOE-UHFFFAOYSA-N 221.369 3.632 30 20 BHED CC[C@H](Cc1ccccc1)NC[C@H](C)CCC#N 602531811 KYLRFFGLOZFVAV-GDBMZVCRSA-N 244.382 3.537 30 20 BHED CC(C)Oc1cccc(NC[C@H](C)CCC#N)c1 602675335 MQAXNYUGCNBMJM-CYBMUJFWSA-N 246.354 3.826 30 20 BHED C=C(C)CN1CCC[C@@H]1c1ccc(C)cc1 641980034 WMSPCYGKAMVJAR-OAHLLOKOSA-N 215.340 3.708 30 20 BHED C=CCC[C@H](NC1CC2(CCC2)C1)C1CC1 652327601 CCQSGDGRKZMGBC-AWEZNQCLSA-N 219.372 3.654 30 20 BHED Cc1ccc([C@H](C)N[C@H](C)CC(C)(C)C#N)cc1 695777685 IDORITJCBOYESB-KGLIPLIRSA-N 244.382 3.974 30 20 BHED C=CC[C@@H](C)C(C)=NNc1nccnc1C(C)C 773089999 DHKJVTZAARIVHR-LLVKDONJSA-N 246.358 3.600 30 20 BHED C/C(C=NNC1CCCCC1)=C\c1ccccc1 786041052 UMVFTGFDJSZZOM-WMLKXFTGSA-N 242.366 3.998 30 20 BHED C=CCCCCC[C@H](C)NCCc1cccnc1 793525499 OQCQSJBOYFRGLY-HNNXBMFYSA-N 246.398 3.739 30 20 BHED CC[C@@H](C)C(C)=NOCc1ccccc1OC 799117734 OEVUISXIHBLOGK-LLVKDONJSA-N 235.327 3.634 30 20 BHED CC[C@@H]1CCC1=NNc1ccc(C#N)c(Cl)c1 807982594 GRZIQGHDANSSAO-SECBINFHSA-N 247.729 3.800 30 20 BHED Cl/C=C\CON=C[C@@H]1C[C@@H]1c1ccccc1 811667677 AQNHNIBWBYQWAV-OMDWHEEUSA-N 235.714 3.545 30 20 BHED C1CC[C@@H]2CC(=NOCC3CC3)CC[C@H]2C1 814244722 HCSJTHVYWZXURU-CHWSQXEVSA-N 221.344 3.759 30 20 BHED CC[C@H](C)CON=C1CC[C@@H]1C1CCC1 814939496 SJIYSJCLWBDFCI-CMPLNLGQSA-N 209.333 3.615 30 20 BHED COc1ccc(C)cc1N[C@@H](C)CC(C)(C)C#N 829180573 VNSSQPVVOMUQFV-LBPRGKRZSA-N 246.354 3.744 30 20 BHED C[C@H](NN=C1CCCCC[C@H]1C)c1ccncc1 844602478 SGVRNGFUKLSOBN-OLZOCXBDSA-N 245.370 3.688 30 20 BHED C=CC(C)(C)CCOC(=O)CCC(C)(F)F 851298723 LHJPVGWDGQFPOT-UHFFFAOYSA-N 234.286 3.567 30 20 BHED C[C@H](C=NNc1ccnc(Cl)c1)C(C)(C)C 853394948 FMULXNXPPVUVKL-SECBINFHSA-N 239.750 3.815 30 20 BHED C[C@@H](C#N)Oc1ccccc1NCCCC1CC1 871833317 TUNZJHJSEIGXES-LBPRGKRZSA-N 244.338 3.580 30 20 BHED C=C1CCC(C(=O)O[C@@H](C)CC(C)(C)C#N)CC1 893178315 OZEWJFIXCBXRJT-LBPRGKRZSA-N 249.354 3.604 30 20 BHED C=CCCN1C[C@@H]2CCCC[C@@]21c1ccccc1 1321425642 DWEMSQDYRJPKFJ-DLBZAZTESA-N 241.378 3.964 30 20 BHED Cc1ccc(NN=C[C@@H](C)CCC#N)cc1Cl 1343754831 HGBRUOWYJDUWKX-JTQLQIEISA-N 249.745 3.986 30 20 BHED N#C[C@@H](c1ccccc1)N1CCCCCCCC1 1658674648 RKTPHPCUZYGTIW-INIZCTEOSA-N 242.366 3.907 30 20 BHED C[C@@H](NCCC#N)c1cc(Cl)ccc1Cl 20199661 PORGADWYUULLAW-MRVPVSSYSA-N 243.137 3.558 30 20 BHED C[C@@H]1CCCC[C@@H]1Nc1cccc(F)c1C#N 35134944 MPHIRAQMKXEVFB-MFKMUULPSA-N 232.302 3.688 30 20 BHED CC[C@H]1CCCCN1c1ccc(C#N)c(Cl)c1 35898609 UARPMQAFYIRPHK-LBPRGKRZSA-N 248.757 3.981 30 20 BHED C[C@H]1CCCC[C@H]1Nc1ccc(C#N)cc1F 37412576 QBHDLIAFPBLTLO-GXFFZTMASA-N 232.302 3.688 30 20 BHED C=C(Cl)CN1CCC[C@@H]1c1cccs1 53096114 OWWUGCGKUUDDNV-SNVBAGLBSA-N 227.760 3.638 30 20 BHED CC(C)(C)[C@H]1CCCN(CCCCC#N)CC1 71203002 OVKHPFKDDSNCIM-AWEZNQCLSA-N 236.403 3.828 30 20 BHED CC(C)c1ccc(CCN(C)[C@H](C)CC#N)cc1 121368416 BWCPKKKGSKSRJD-CQSZACIVSA-N 244.382 3.586 30 20 BHED CC[C@H](CC#N)NCCc1ccc(C(C)C)cc1 124259918 MXMHDEQBAPCOFG-MRXNPFEDSA-N 244.382 3.634 30 20 BHED CC(C)(C#N)CCCN(C1CCCC1)C1CC1 174817918 AUESPIJWTFYPFX-UHFFFAOYSA-N 234.387 3.723 30 20 BHED C=CCCCC(=O)N1CCC[C@@H]1C(C)(C)CC 178806221 IHHODNIOTLXYHC-CYBMUJFWSA-N 237.387 3.770 30 20 BHED C#CCC(C)(C)C(=O)Nc1cc(C)ccc1Cl 185865519 HLBPREGHNNHIEV-UHFFFAOYSA-N 249.741 3.636 30 20 BHED C=CCCSCC(=O)Nc1cc(C)ccc1C 265829284 ZYKUZMAVTGRHQH-UHFFFAOYSA-N 249.379 3.551 30 20 BHED N#C[C@@H]1CC[C@H](SC2=Nc3ccccc3C2)C1 278683559 YSAJAJZLNZNBHY-PWSUYJOCSA-N 242.347 3.698 30 20 BHED C=CCCSCc1ccccc1OC 339091443 NNTKKTNTBQTRRG-UHFFFAOYSA-N 208.326 3.505 30 20 BHED CN(Cc1ccc(C#N)s1)[C@@H]1CCC(C)(C)C1 355580430 IBMPWQBWPGWBHC-LLVKDONJSA-N 248.395 3.630 30 20 BHED CN(Cc1cc(C#N)cs1)[C@H]1CCC(C)(C)C1 355581772 KPDAOWXYJULMSB-LBPRGKRZSA-N 248.395 3.630 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(C)cc1C 381298610 HKPSTEUADZSQHM-CQSZACIVSA-N 217.356 3.920 30 20 BHED C=C(C)CCN[C@@H](c1ccc(OC)cc1)C1CC1 386838533 XDIBULUYBLSRNO-MRXNPFEDSA-N 245.366 3.702 30 20 BHED C=C(C)CN[C@@H]1CCCCC12CCCC2 389608385 ZOXFKXHWIDUZFN-CYBMUJFWSA-N 207.361 3.655 30 20 BHED C=C(C)CNc1c(F)cccc1SCC 389840469 IUTNHBAVPLUNOA-UHFFFAOYSA-N 225.332 3.926 30 20 BHED C=CC[C@@H](CC)NC(=O)c1ccc(C(C)C)cc1 410131569 SCCCATMICVHONO-OAHLLOKOSA-N 245.366 3.895 30 20 BHED Cc1cccc(NCc2ccc(C#N)c(C)c2)c1 443973263 OPKQFFQHMIZVKT-UHFFFAOYSA-N 236.318 3.787 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 451421217 NYTNYMFGGNGNHF-DGAVXFQQSA-N 237.387 3.530 30 20 BHED C=CCN(Cc1ccccc1Cl)CC1CC1 510201693 VWRXVJLDGAOMFS-UHFFFAOYSA-N 235.758 3.738 30 20 BHED C=CCCC(=O)Nc1cccc(C(C)C)c1 522485458 JPJSYERMRVFXPX-UHFFFAOYSA-N 217.312 3.715 30 20 BHED C=CCCCSc1ccc(C#N)cc1F 525631115 SVFNBVCUPUZBID-UHFFFAOYSA-N 221.300 3.756 30 20 BHED CC[C@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 544431379 XHYHWSWTAKEDON-STQMWFEESA-N 249.785 3.716 30 20 BHED C=C(CC)CSCc1ccc(Cl)cn1 574228963 KJBMYRKOOZCHOB-UHFFFAOYSA-N 227.760 3.934 30 20 BHED C[C@H](SCCC(C)(C)O)c1cccc(C#N)c1 583574812 KCXNBBWMYVZALK-NSHDSACASA-N 249.379 3.513 30 20 BHED C=CCCC[C@@H](C)N1CCC(CCC#N)CC1 583691230 GEIROCOUFPWALJ-CQSZACIVSA-N 234.387 3.747 30 20 BHED C[C@@H](CCC#N)N1CC[C@H]1c1ccc(Cl)cc1 591015743 OCPHEVQIEAEJRW-FZMZJTMJSA-N 248.757 3.779 30 20 BHED Cc1cccc([C@@H](C)NC[C@H](C)CCC#N)c1C 602546174 PMHNPTFEBINXQK-IUODEOHRSA-N 244.382 3.894 30 20 BHED C=CC[C@@H](C)NCc1csc(C(F)(F)F)c1 623423133 WREQKBVNFXJZQK-MRVPVSSYSA-N 249.301 3.821 30 20 BHED C=CC[C@@H](C)C(C)=NNc1ccc(F)cc1F 727779610 MJTIPVMVLHJCRV-SECBINFHSA-N 238.281 3.965 30 20 BHED CCCCCCCN(C)Cc1ccccc1O 740878034 RIIMFVGTCKOQNV-UHFFFAOYSA-N 235.371 3.794 30 20 BHED CCCCCCCOC(=O)[C@H](C)C(F)(F)F 744046660 CYANMTGFRSDUFS-VIFPVBQESA-N 240.265 3.698 30 20 BHED C=C(C)CCOC(=O)c1ccccc1SC 744304059 BFZUJMNOGKGDFH-UHFFFAOYSA-N 236.336 3.532 30 20 BHED CCCCCCCC(=O)Nc1ccc(C)nc1 770324214 LGIMYAIHRXHYIS-UHFFFAOYSA-N 234.343 3.689 30 20 BHED Cc1cc(C=NOC2CCCC2)c(C)s1 774597254 SEOSFSPTSDIOQB-UHFFFAOYSA-N 223.341 3.658 30 20 BHED C/C=C(/C=C/C(=O)OCCCC(C)(C)C#N)CC 784218938 YVCGDUXEVYHKQO-AFLFDFMDSA-N 249.354 3.772 30 20 BHED C=CCCCC(=O)OCc1sccc1Cl 785913457 JPYSJAFIRZREBQ-UHFFFAOYSA-N 244.743 3.801 30 20 BHED C=CCCCCC[C@H](C)NC[C@@](C)(O)C(C)C 793542595 ROZODLSFINFGAZ-LSDHHAIUSA-N 241.419 3.508 30 20 BHED c1cncc([C@@H]2CCCC(=NOC3CCC3)C2)c1 812235975 TXROGSGELQCAJA-GFCCVEGCSA-N 244.338 3.664 30 20 BHED CC1(C)CC(=NNc2ccc(F)c(F)c2F)C1 814946275 INCSMXWXFIEJPT-UHFFFAOYSA-N 242.244 3.692 30 20 BHED CC(CCCCC#N)=NNc1ccccc1F 841616253 MPYBSYQPAQCXHZ-UHFFFAOYSA-N 233.290 3.697 30 20 BHED C=C[C@@H](C)ON=C[C@@H](C)CCc1ccccc1 844621040 BZMNRILCKDTLBB-UONOGXRCSA-N 231.339 3.832 30 20 BHED CCCCCCCSCc1nncs1 902556355 HGUHPVKRRTZVNV-UHFFFAOYSA-N 230.402 3.742 30 20 BHED CCCNN=C(C)c1ccc2ccccc2c1 915965514 LHAWYUBKRQUFGB-UHFFFAOYSA-N 226.323 3.563 30 20 BHED Cc1cccc(NN=Cc2c[nH]c3ccccc23)c1 916256371 XVOWEBAZMSTPSZ-UHFFFAOYSA-N 249.317 3.922 30 20 BHED N#Cc1ccc(COc2ccc(Cl)cc2)s1 1165917299 JTPCBSLFXWNXLH-UHFFFAOYSA-N 249.722 3.852 30 20 BHED C[C@@H]1CCC[C@@H](Nc2cccc(CC#N)n2)CC1 1320625753 VUCXOYLMLASFGB-CHWSQXEVSA-N 243.354 3.528 30 20 BHED C[C@H]1CCC[C@@H](N(C)c2ccc(C#N)cc2)C1 42249887 AIBWWJABJHBWEM-SWLSCSKDSA-N 228.339 3.573 30 20 BHED Cc1cc(C(=O)/C=C\c2cccnc2)c(C)s1 96305148 GNXJXCNUFWZBHG-WAYWQWQTSA-N 243.331 3.656 30 20 BHED C=CCC[C@H](NCc1ccc(C)s1)C1CC1 125292178 BETYEQCZNQYBLR-AWEZNQCLSA-N 235.396 3.891 30 20 BHED C=CCC[C@@H](C)Nc1cc(C)ccc1OC 126901821 IKHGIQKEQYZFFY-GFCCVEGCSA-N 219.328 3.770 30 20 BHED C=CCCN[C@H]1CCCc2c1[nH]c1ccccc21 161718444 XTUKTZGVBKOJPJ-HNNXBMFYSA-N 240.350 3.711 30 20 BHED CC(C)(CCC#N)CN[C@@H]1CCCCC1(C)C 229699075 NOGZTWMGCHULBA-CYBMUJFWSA-N 236.403 3.875 30 20 BHED C[C@H](CCC#N)N[C@H](c1ccccc1)C1CCC1 278959689 NQXVSCQGGXRIDJ-CZUORRHYSA-N 242.366 3.810 30 20 BHED CC(C)C[C@@H](C)OC(=O)Oc1cccc(C#N)c1 295343591 QAAFNVAIKKIIMC-LLVKDONJSA-N 247.294 3.508 30 20 BHED C#C[C@H](N[C@H](C)Cc1ccc(Cl)cc1)C(C)C 302374837 OXPDCRRXSABLSX-DOMZBBRYSA-N 249.785 3.518 30 20 BHED CCC[C@H](C)Nc1nc(C)c(C#N)cc1Cl 309217155 FUQDRTBHJLMXSH-QMMMGPOBSA-N 237.734 3.516 30 20 BHED C=CCCCCN[C@H](C)c1ccc2c(c1)CCO2 310998435 JECURDPYJWOSRW-CYBMUJFWSA-N 245.366 3.628 30 20 BHED CCCC[C@@H](C)N(C)Cc1ccc(F)c(C#N)c1 311193913 FNHFCKJBRGLLPH-GFCCVEGCSA-N 248.345 3.708 30 20 BHED C=CCCCN[C@@H](CC)c1ccccc1OC 336708294 NUPFBGPDOOWJLO-AWEZNQCLSA-N 233.355 3.702 30 20 BHED CCCC1CCC(CN(C)[C@@H](C)CC#N)CC1 342747242 VTYGLXCQSSDQHX-NFOMZHRRSA-N 236.403 3.827 30 20 BHED CC(C)(C)CSCc1ccc(C#N)cc1F 440591074 NYOBVMYNEAETSM-UHFFFAOYSA-N 237.343 3.977 30 20 BHED CC[C@@H](F)CSCc1ccc(CC#N)cc1 442553970 IEMZRGGHLKRLMN-CYBMUJFWSA-N 237.343 3.734 30 20 BHED C=CC(C)(C)C(=O)N1CCCC2(CCCCC2)C1 448965063 AZBJUKRALXGGPA-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=C(C)CCN[C@H](C)c1cnn(C(C)(C)C)c1C 453319139 NNFDMGISCQSHAM-GFCCVEGCSA-N 249.402 3.563 30 20 BHED C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1 456981670 OCXLUXRILFCKEM-AGIUHOORSA-N 237.387 3.530 30 20 BHED CC#CCCN(C)[C@H](C)c1ccccc1Cl 462329119 VFCGSLMWPVUJGL-GFCCVEGCSA-N 235.758 3.746 30 20 BHED C=CCCN(Cc1ccccc1)C(C)(C)C 473923176 YIBLGSLTTADDED-UHFFFAOYSA-N 217.356 3.863 30 20 BHED C=CCCCC(=O)N(CC)C1CCCCC1 480559046 SLWZTVRGMMFWDX-UHFFFAOYSA-N 223.360 3.524 30 20 BHED C=C[C@@](C)(CC)c1nc(-c2ccc(C)cc2)no1 527487796 CNUIODMJMKODEZ-HNNXBMFYSA-N 242.322 3.899 30 20 BHED C=C(C)COCCN[C@H](CC)C1CCCCC1 540158434 XJBFCJHDVWQMDY-OAHLLOKOSA-N 239.403 3.528 30 20 BHED C=CCCOc1cccc(OC(F)(F)F)c1 549514339 GWKOCDONFHWLFD-UHFFFAOYSA-N 232.201 3.540 30 20 BHED C=CCC(F)(F)c1nc([C@H](C)C(C)(C)C)no1 556300356 QTPDACYCKQWOLJ-QMMMGPOBSA-N 244.285 3.887 30 20 BHED C=CCCCC[C@@H](C)NCCc1ccc(C)nc1 580873840 OPWRKCSWTFFZOM-CQSZACIVSA-N 246.398 3.657 30 20 BHED CCN(Cc1cccs1)C[C@H](C)CCC#N 602434976 YJMRCSYBVCYLNN-GFCCVEGCSA-N 236.384 3.510 30 20 BHED C=CCCCCCN(C)C(=O)[C@@H](C)CCC 606816625 GNDXQDZEBZYZOR-ZDUSSCGKSA-N 225.376 3.627 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(C(F)F)nc1 658026922 IIWHGUPGFWBDRJ-SNVBAGLBSA-N 240.297 3.636 30 20 BHED CC(C)Cc1ccc(CON=C2CCC2)cc1 735490285 UCAMIPPEXBMJPH-UHFFFAOYSA-N 231.339 3.942 30 20 BHED CCCC[C@H](CC)COC(=O)CC(C)(C)C#N 785091861 YYEBNRJUUQQUOC-LBPRGKRZSA-N 239.359 3.686 30 20 BHED C[C@H](NN=C/C=C\c1ccc(F)cc1)C(C)(C)C 793111537 IQPMJRFHGRTUKE-PWLCXTHMSA-N 248.345 3.849 30 20 BHED CC(C)[C@@H](C=NOCC(F)F)c1ccccc1 794535392 SIMUAUBIJNKHEE-GFCCVEGCSA-N 241.281 3.694 30 20 BHED C(CC1CCCCCC1)=NO[C@@H]1CCCCO1 799111257 FOXCYRHUTXTRQY-CQSZACIVSA-N 239.359 3.876 30 20 BHED COc1ccccc1CON=C(C(C)C)C1CC1 799117384 JWWYUJQORFNJPO-UHFFFAOYSA-N 247.338 3.634 30 20 BHED CCCC[C@H](C)[C@H](C)NCc1ccc(C#N)cc1 808676832 LRCNRFCDNUDHJZ-KBPBESRZSA-N 244.382 3.863 30 20 BHED C(=NNC1CCCC1)c1ccc(C2CCC2)cc1 814832906 RGFGMWDBEUAUPN-UHFFFAOYSA-N 242.366 3.820 30 20 BHED C=CCC(F)(F)C(=O)NCCCCCCCC 815872247 GCONUVWIFPISSP-UHFFFAOYSA-N 247.329 3.675 30 20 BHED C=CCC[C@@H](C)Nc1cccc([C@H](C)C(=O)O)c1 901815179 JAKMORDEXANSRL-NEPJUHHUSA-N 247.338 3.641 30 20 BHED CC(=NNc1ccc(F)cc1)c1ccccc1F 916268156 NBPPXJTXCNJALK-UHFFFAOYSA-N 246.260 3.801 30 20 BHED C[C@H]1CC[C@H](Sc2cccc(F)c2C#N)C1 1656593100 QZQCHBLZKBAGPL-UWVGGRQHSA-N 235.327 3.978 30 20 BHED CCc1cccc(OCc2ccccc2C#N)c1 11834163 SLSQBXIKBATHCO-UHFFFAOYSA-N 237.302 3.700 30 20 BHED C#Cc1cccc(NCc2ccc3c(c2)CCC3)c1 70498349 MQSGJUNGCDYQRP-UHFFFAOYSA-N 247.341 3.769 30 20 BHED O=C(/C=C\c1cccnc1)c1cc2ccccc2o1 98053775 RDRLINCRIZLDPY-FPLPWBNLSA-N 249.269 3.724 30 20 BHED CCCCCCCN(CC#N)C1CCCC1 114657827 YNGKWFOPHKFRLR-UHFFFAOYSA-N 222.376 3.725 30 20 BHED C=C(C)CN(C)[C@H](C)c1sc(CC)nc1C 122038500 KUFPODMXBZXUPY-LLVKDONJSA-N 238.400 3.583 30 20 BHED C=CCC[C@@H](C)Nc1ccc(N(C)C)cc1C 130590190 UJIVOMIBGHEEMQ-CYBMUJFWSA-N 232.371 3.828 30 20 BHED C=CCCCC[C@H](C)NCc1csc(C)n1 131930295 GHWGCVUPWNNXCM-NSHDSACASA-N 238.400 3.676 30 20 BHED C=CCCN1CCCCC[C@H]1c1ccco1 133159718 WKLLCPWLDLODNZ-ZDUSSCGKSA-N 219.328 3.773 30 20 BHED C=C(CN[C@@H](CC)CCC)c1ccccc1 148032125 UGXBEPVNFTUNPG-HNNXBMFYSA-N 217.356 3.868 30 20 BHED C#CCCCNc1cc(C(F)(F)F)ccc1C 169042055 RELUPFXTNGGLQN-UHFFFAOYSA-N 241.256 3.839 30 20 BHED CC(C)C1CCC(N[C@H]2CCC[C@@H](C#N)C2)CC1 185862254 VRLNLWWGTQYLCV-LMPOIIKSSA-N 248.414 3.873 30 20 BHED C[C@H]1[C@@H](c2ccccc2)CCN1[C@H](C)CCC#N 299195477 DYMJIQMRCJLVDI-YCPHGPKFSA-N 242.366 3.557 30 20 BHED C=CCCC[C@H](C)Nc1cccc(C)n1 302251179 WTOFIFIJCOJBNE-NSHDSACASA-N 204.317 3.547 30 20 BHED C=CCNc1cc(Cl)c(OCC)c(Cl)c1 309053631 SJGQPAJUXUECQK-UHFFFAOYSA-N 246.137 3.990 30 20 BHED C=CCCN(CC)[C@H](C)Cc1ccsc1 338568959 OUHCSOLIXJWREM-GFCCVEGCSA-N 223.385 3.577 30 20 BHED CN(CC(C)(C)CCC#N)[C@H]1CCC(C)(C)C1 355581051 HJXVJTMXODAYFR-ZDUSSCGKSA-N 236.403 3.827 30 20 BHED C=CCCC1(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)CC1 361836214 DKZJVKZXAGBFPK-RDBSUJKOSA-N 249.398 3.626 30 20 BHED C=CCC[C@H](CCC)NC[C@@H]1C[C@H](C)O[C@@H]1C 414280484 LKFFOWVDESICEG-XGUBFFRZSA-N 239.403 3.524 30 20 BHED C=CCC[C@H](CCC)N[C@@H](C)C1(OC)CCC1 414303661 LUUAWSALFHKNFX-KBPBESRZSA-N 239.403 3.669 30 20 BHED CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(F)c1 424329102 OZMXGOBKPGSDBJ-GLQYFDAESA-N 246.329 3.559 30 20 BHED C=C[C@H]1CCCCN1Cc1cccc2cc[nH]c12 426545604 QGTQDGQHHTYFGB-HNNXBMFYSA-N 240.350 3.708 30 20 BHED CCCC[C@H](CC)CN(C)CC(C)(C)C#N 433327324 RRNDMVPSPLKPCF-ZDUSSCGKSA-N 224.392 3.684 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 451243979 DGZWAWXQJNSUAI-LXTVHRRPSA-N 249.398 3.626 30 20 BHED CC#CCCN(C)[C@@H](C)c1ccccc1Cl 462329120 VFCGSLMWPVUJGL-LBPRGKRZSA-N 235.758 3.746 30 20 BHED C=CCCCCNC(=O)[C@](C)(CC)CCC 476739421 AUCZIUOLKCPZHT-CQSZACIVSA-N 225.376 3.675 30 20 BHED C=C(C)CCN1CCC[C@@H]1c1cccc(OC)c1 509849986 YEYKREKZYWIKHT-MRXNPFEDSA-N 245.366 3.798 30 20 BHED C=C(CC)CSc1ccc(C#N)cc1F 538015089 KXQFINYWXZRGKW-UHFFFAOYSA-N 221.300 3.756 30 20 BHED CC#CCNc1ccccc1N(C)C1CCCC1 538416150 UQBQDERELWIDCY-UHFFFAOYSA-N 242.366 3.501 30 20 BHED C=C(CC)CNc1c(C)cccc1OC(F)F 539095072 BVGNVVIDCLDXHG-UHFFFAOYSA-N 241.281 3.975 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H](C)C(C)(C)C 539441187 UMXRUBRGMBDBRQ-NWDGAFQWSA-N 225.376 3.530 30 20 BHED C=CCOc1ccccc1CNC1CC(CC)C1 551789894 UPTKJQZHDMWSEX-UHFFFAOYSA-N 245.366 3.530 30 20 BHED C=CC1CCN(Cc2c(C)cccc2C)CC1 606433566 HCNQUJCAKPXSBR-UHFFFAOYSA-N 229.367 3.701 30 20 BHED CC/C=C\CCN[C@H](C)c1cccc(C#N)c1 613450968 VRZNXAQIYWRBMV-DSYXLKISSA-N 228.339 3.565 30 20 BHED CCCC[C@H]1CCCC1=NNc1ccccn1 727253806 KIWVDLNOPZMIRE-LBPRGKRZSA-N 231.343 3.840 30 20 BHED CCCCCCCN1CCC(c2cn[nH]c2)CC1 740875439 AEHRHZXCVYODRQ-UHFFFAOYSA-N 249.402 3.560 30 20 BHED C=C(Cl)CN1CCC[C@@](C)(CCC)C1 743873795 VLRQEJIDMQYXMX-GFCCVEGCSA-N 215.768 3.641 30 20 BHED CCCCCCCCN(C)Cc1nccs1 746671165 LNXDTQVPIINJPQ-UHFFFAOYSA-N 240.416 3.935 30 20 BHED C=CC[C@@H](C(=O)O[C@H](C)CC)c1ccccc1 778429542 OWZOHUZRKKKSBD-TZMCWYRMSA-N 232.323 3.688 30 20 BHED CC(Cc1ccsc1)=NNC1CCCCC1 786042357 SJEKOVFYODRRPZ-UHFFFAOYSA-N 236.384 3.589 30 20 BHED C[C@H]1CCCC(=NN[C@@H](C)C(C)(C)C)C1 793113537 GDJWUNYBOFERER-QWRGUYRKSA-N 210.365 3.577 30 20 BHED Cc1cccc(OC(=O)CCCCCC#N)c1C 805848372 LKYNUTDCEYQAIA-UHFFFAOYSA-N 245.322 3.683 30 20 BHED C=CCCCCCCCNC(=O)C1CC=CC1 810767039 RUUSCJBYXIJZSY-UHFFFAOYSA-N 235.371 3.595 30 20 BHED C=CCC(C)(C)C(=O)N(C)c1ccc(C)c(C)c1 814113896 RIWLDHFLVLEDFK-UHFFFAOYSA-N 245.366 3.869 30 20 BHED CC(C)(C#N)[C@H]1CCCC1=NNC1CCCCC1 814908737 FMAUYJWBMCENHB-ZDUSSCGKSA-N 247.386 3.615 30 20 BHED COCCC(C)=NNc1c(C)cccc1C(C)C 814936382 OXFJQQZMGQXMBI-UHFFFAOYSA-N 248.370 3.943 30 20 BHED CC(CC(C)(C)C)=NOC/C=C/Cl 834979239 LTWHLRYQFVJCEK-ATKGFRKTSA-N 203.713 3.568 30 20 BHED CC[C@@H](C)C(C)=NNc1ccc(Cl)cn1 853437832 JHHOFPFSGNXFQF-MRVPVSSYSA-N 225.723 3.569 30 20 BHED C=CCCCCCCNCc1cnc(C2CC2)o1 862365539 BGVQIESNKGEBAW-UHFFFAOYSA-N 248.370 3.778 30 20 BHED Cc1ccc([C@H](C)C=NOCC2CC2)cc1 863115553 RYJFFVPUMBCBSK-GFCCVEGCSA-N 217.312 3.511 30 20 BHED C=C[C@@H](C)ON=Cc1csc(C(F)(F)F)c1 863124448 VYXIKRQYNVXTTH-SSDOTTSWSA-N 249.257 3.692 30 20 BHED Cc1ccc2sc(SCCC#N)nc2c1C 865871121 IFBOOJIPSNXWMN-UHFFFAOYSA-N 248.376 3.919 30 20 BHED CC1=CCN(CCCCC2(C#N)CCC2)CC1 930094343 IWTKSMVBJBJRKZ-UHFFFAOYSA-N 232.371 3.503 30 20 BHED C=CCCCN(CCc1ccccc1)C(C)C 1318668285 GYLZHSPOGKYEEM-UHFFFAOYSA-N 231.383 3.906 30 20 BHED CC(C)(C)ON=C(Cc1ccccc1)C(F)F 1319714954 GUMDPUWILKRSMZ-UHFFFAOYSA-N 241.281 3.665 30 20 BHED CCCCCC[C@H](C)Nc1cc(C#N)ccn1 49217875 IVSRAVXKAQYHTK-LBPRGKRZSA-N 231.343 3.724 30 20 BHED CCCCCCCCN[C@H](C)[C@H]1CCCO1 59090774 NWCWSXLFQBLFGD-ZIAGYGMSSA-N 227.392 3.504 30 20 BHED CCCCCCCC(=O)Nc1ccc(N)c(C)c1 105707759 GCASSMHLXVZMJT-UHFFFAOYSA-N 248.370 3.876 30 20 BHED C#CCCCCC(=O)N1CCCC[C@@H]1CC(C)C 120271324 SGIJCBRKEATJSV-OAHLLOKOSA-N 249.398 3.607 30 20 BHED CCCCCCCCCCN[C@@H]1CCOC1 123470297 WLCLNLFDUCVJGV-CQSZACIVSA-N 227.392 3.506 30 20 BHED CCC[C@@H](NCCCC#N)C1CCCCC1 132586660 ODWSCDHSHIGKKO-CQSZACIVSA-N 222.376 3.629 30 20 BHED C=CCCCC(=O)NC[C@H](C)c1cccc(C)c1 175748388 QOOQMLGUADFGHD-AWEZNQCLSA-N 245.366 3.571 30 20 BHED C=CCCCC(=O)N1CCc2c(Cl)cccc21 177275459 QNIYXSHKOLHXTQ-UHFFFAOYSA-N 249.741 3.585 30 20 BHED C[C@H](CCC#N)SC1=Nc2ccccc2C1 189475705 JYYOKIZNZVECAQ-SNVBAGLBSA-N 230.336 3.698 30 20 BHED CC(C)(C#N)CCCN1CCC[C@H]2CCCC[C@H]21 226108145 VGKQZKPUFAQMFL-HUUCEWRRSA-N 248.414 3.971 30 20 BHED CC[C@H](C)N(CC)CCCCC(C)(C)C#N 233986601 ZEAPFICSPACFPV-ZDUSSCGKSA-N 224.392 3.827 30 20 BHED C[C@@H]1C[C@@H]1[C@@H](NCCC#N)c1ccc(Cl)cc1 298817083 FVKHTIADGMGTGK-SWHYSGLUSA-N 248.757 3.540 30 20 BHED CC1(C)CCC(CNc2cccc(C#N)n2)CC1 311038530 UUMSSOKOJSSHJS-UHFFFAOYSA-N 243.354 3.582 30 20 BHED C=CC(C)(C)CN[C@H]1CCc2cc(F)ccc21 384980500 QQVMVCUSUWUDOZ-AWEZNQCLSA-N 233.330 3.615 30 20 BHED C=C(C)CCN[C@H](CC)c1ccccc1F 386641747 AEGZPZFLGZWACE-CQSZACIVSA-N 221.319 3.833 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1cc(F)ccc1F 393763513 ZLKNBWCEUFJDGT-CMPLNLGQSA-N 239.309 3.970 30 20 BHED C=CC1CCN(CCC2(C#N)CCCCC2)CC1 411256528 QTORMNYDBSCHFL-UHFFFAOYSA-N 246.398 3.749 30 20 BHED C[C@H](NCCC#N)c1ccc(F)c2ccccc12 411733452 GHXGXJFVOVZLDN-NSHDSACASA-N 242.297 3.543 30 20 BHED C=CCCCC(=O)N([C@@H](C)CC)[C@H](C)CC 467204047 CPUPYGKKVOSALK-BETUJISGSA-N 225.376 3.768 30 20 BHED C=CC[C@H]1N(C(=O)C2CCCC2)CCCC1(C)C 470294984 BRDBDGDFZOFTJS-CQSZACIVSA-N 249.398 3.770 30 20 BHED C=CCOCCCN(C)[C@H](C)c1ccccc1C 470715898 JQGSKOVFAATLHV-OAHLLOKOSA-N 247.382 3.581 30 20 BHED C=C(CC)COc1ccc(C(F)(F)F)nc1C 506297698 MECGNWHALRTJMW-UHFFFAOYSA-N 245.244 3.754 30 20 BHED C=CCCN1C[C@H](C)C[C@H]1c1cccc(F)c1 525783844 FWRDROAFVBYSOG-DOMZBBRYSA-N 233.330 3.785 30 20 BHED C=CCCC[C@@H](C)NC(=O)N[C@@H](CC)CCC 538280423 AQGOANWTMQZMDP-OLZOCXBDSA-N 240.391 3.609 30 20 BHED C=CCCCCSCc1noc(C(C)C)n1 565294634 NTVSNZGUUWGRTI-UHFFFAOYSA-N 240.372 3.783 30 20 BHED CC[C@@H](NCC1=CCCC1)c1ccc(C#N)cc1 595094134 DQVJAROWMXPITB-MRXNPFEDSA-N 240.350 3.709 30 20 BHED C[C@@H](CC#N)NCC1CCC(C(C)(C)C)CC1 610803538 BYSDRTWBZYUEDQ-HSBZDZAISA-N 236.403 3.731 30 20 BHED C=CCCCSc1cc(C)cc(C)n1 682452396 QBYADAGPKJALOL-UHFFFAOYSA-N 207.342 3.757 30 20 BHED Cc1cccc(N[C@H](C)CC(C)(C)C#N)c1 695793108 YPURXBHOFPKBAF-GFCCVEGCSA-N 216.328 3.735 30 20 BHED CC(C)CN(CCC#N)C[C@H](C)C(C)(C)C 711155419 IQYMPXCTOWQTRD-ZDUSSCGKSA-N 224.392 3.540 30 20 BHED C=C(CC)COC(=O)c1cc(Cl)cs1 758757217 SGNGXOHVFIMEBY-UHFFFAOYSA-N 230.716 3.525 30 20 BHED CCC(CC)NN=C[C@H]1CCC[C@@H](C)C1 768361735 IDJACELIVMKXEG-NEPJUHHUSA-N 210.365 3.577 30 20 BHED C=CCN(Cc1ccc(C#N)cc1Cl)C(C)C 784337785 SAJBFHJXDBNMBK-UHFFFAOYSA-N 248.757 3.608 30 20 BHED C#CCCCC(=O)Nc1ccc(CC)c(Cl)c1 803561958 BTHGWARFBRXGPB-UHFFFAOYSA-N 249.741 3.644 30 20 BHED CC(=NOC1CCC1)c1cccc(C2CC2)c1 814936409 QEIQNDKVXBGIPZ-UHFFFAOYSA-N 229.323 3.857 30 20 BHED CCCC[C@H](NC(=O)C#CC(C)(C)C)C1CCC1 837462217 PFKQEQZKHKSLRN-AWEZNQCLSA-N 249.398 3.511 30 20 BHED CCN(Cc1ccccc1C(C)C)C[C@H](C)C#N 848882392 OIAQYLVMMVYFNL-CQSZACIVSA-N 244.382 3.792 30 20 BHED C=CCC[C@@H](NC/C=C/Cl)c1ccco1 903443146 CCJOFAHCMDVFDS-AYLMVEPYSA-N 225.719 3.629 30 20 BHED C=C(CC)C(=O)N[C@H](C)c1cc(C)sc1C 1528001981 KOIRACUKJNMMFB-SNVBAGLBSA-N 237.368 3.508 30 20 BHED COc1ccccc1/C=C\C(=O)c1ccsc1 33921105 CVDQWXZLMYGWAT-SREVYHEPSA-N 244.315 3.653 30 20 BHED C#Cc1cccc(N[C@@H](C)CCCC)c1 37185161 FRVUTLZVBHQPIV-LBPRGKRZSA-N 201.313 3.659 30 20 BHED C=C(C)CN1CCc2sccc2[C@@H]1CC 53139832 FDNLLFXBPGJXJQ-LBPRGKRZSA-N 221.369 3.633 30 20 BHED CC(C)(C#N)CCCOc1ccc(F)cc1F 57713494 KVHGOAUREQBUJF-UHFFFAOYSA-N 239.265 3.674 30 20 BHED CCOc1cccc(OCCCC(C)(C)C#N)c1 57713553 QZUYMEOSGJTJLA-UHFFFAOYSA-N 247.338 3.794 30 20 BHED C[C@@H]1CCCC[C@H]1N(C)CCCC(C)(C)C#N 87608628 AJDPELFNPHZSKA-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED Cc1cc(F)cc(NCCCC(C)(C)C#N)c1 91513226 VUEFHDWJTMTYCJ-UHFFFAOYSA-N 234.318 3.876 30 20 BHED C=CCCC(=O)Oc1ccccc1SCC 116110727 AHMNTKYPYULHOB-UHFFFAOYSA-N 236.336 3.670 30 20 BHED C=CCCCN[C@H](c1ccc(OC)cc1)C1CC1 117871814 GIICXPXCEYGNSP-INIZCTEOSA-N 245.366 3.702 30 20 BHED Cc1ccc(F)c(N[C@@H]2CCC[C@H](C#N)C2)c1 193105501 XKKHMCLBLJKEDJ-NWDGAFQWSA-N 232.302 3.628 30 20 BHED Cc1ccoc1CNc1cc(Cl)ccc1C#N 229473609 CWKJOKDGQACNHG-UHFFFAOYSA-N 246.697 3.725 30 20 BHED C=C[C@@](C)(CC)C(=O)N(C)Cc1cccc(C)c1 276038558 MZBCCDVEITZROK-INIZCTEOSA-N 245.366 3.556 30 20 BHED C=CCCN[C@@H](C)c1ccccc1SC 281564444 CDHXWXZJSQUTNF-NSHDSACASA-N 221.369 3.635 30 20 BHED C=C(C)CN(CC)CCc1ccccc1Cl 303239915 IXENUWCFPPCCOA-UHFFFAOYSA-N 237.774 3.781 30 20 BHED C=CC[C@@H](C)NC[C@H](C)c1cccc(Cl)c1 309539568 FPFIWOZFXXODMF-NWDGAFQWSA-N 237.774 3.998 30 20 BHED C#CCCCNc1cc(F)c(SC)c(F)c1 309880531 VFFVRYVUVYWOBS-UHFFFAOYSA-N 241.306 3.512 30 20 BHED C=C[C@H](C)N[C@@H]1CCC[C@@H](c2ncccc2C)C1 343454640 KJLRPGRQVHRAQU-RRFJBIMHSA-N 244.382 3.580 30 20 BHED C=CCCNc1ccc(OCC)c(Cl)c1 389934654 MMAMXKPORKFCAW-UHFFFAOYSA-N 225.719 3.727 30 20 BHED C=CC[C@H](C)[C@@H](C)NCC(C)(C)CC=C 393444838 RHZHHTRLYICQOC-QWHCGFSZSA-N 209.377 3.779 30 20 BHED CC(C)c1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1 442891327 RAIUTCSYLOJTLT-DOMZBBRYSA-N 228.339 3.914 30 20 BHED CC(F)(F)CCSc1ccc(C#N)cc1F 450846972 NUVDZOAPARQPBT-UHFFFAOYSA-N 245.269 3.835 30 20 BHED CC[C@]1(C(C)C)C[C@@H]1NC1CCC(C)(C#N)CC1 453427147 ONPMIJKXLHVUAA-BHDPWAOGSA-N 248.414 3.873 30 20 BHED C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CCC(C)(C)C1 464499228 SGKJTNKUJMCQFE-WFASDCNBSA-N 237.387 3.626 30 20 BHED CC(C)(C)[C@@H]1CCCN1Cc1cccc(C#N)c1 514084575 QUSHPDCWUMUORZ-HNNXBMFYSA-N 242.366 3.569 30 20 BHED CCC(CC)(CC)CN1CCC(CC#N)CC1 543865274 DQGBYCUKXQKWBA-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C=CCCCC[C@H](C)NCc1cccc(C#N)c1 560925051 QMBZQGHJKFBEBG-AWEZNQCLSA-N 242.366 3.783 30 20 BHED C=CCN(CC=C)Cc1ccc(SC)s1 565923495 PTOOFDQDWJXKGM-UHFFFAOYSA-N 239.409 3.644 30 20 BHED N#C[C@@H]1CC[C@H](N2CC[C@H](C3CCCCC3)C2)C1 595731589 ATASPWASPJADDA-KBMXLJTQSA-N 246.398 3.581 30 20 BHED N#C[C@@H](SCc1ccccc1Cl)C1CC1 601081464 ODJQXKQSMLJPIO-GFCCVEGCSA-N 237.755 3.875 30 20 BHED C=CCCCN(C)[C@@H](CC)Cc1ccccc1 607751319 HGSBJFBREJINRA-INIZCTEOSA-N 231.383 3.906 30 20 BHED C=C[C@](C)(CC)c1nc([C@@H](C)c2ccco2)no1 621795364 HMBDIICLHQUDTQ-IINYFYTJSA-N 246.310 3.668 30 20 BHED C=CCN(C(=O)C1CCC2(CC1)CC2)C(C)(C)C 622945804 UAGSLLNWRLYBRI-UHFFFAOYSA-N 249.398 3.770 30 20 BHED CCC[C@H](C)C(=O)O[C@@H](C)c1cccc(C#N)c1 744099811 CCVUMYIHRPKUJJ-RYUDHWBXSA-N 245.322 3.599 30 20 BHED CCCCCCCCN1CC[C@@H](COCC)C1 747966904 MOJSTUDRIKABIC-OAHLLOKOSA-N 241.419 3.705 30 20 BHED CCCCC=NNc1ccc(C(F)(F)F)cn1 755489298 TVZMMDAZZFWWRT-UHFFFAOYSA-N 245.248 3.688 30 20 BHED C#CCCNc1ccc2nc(C3CC3)sc2c1 760290613 FCKRAGBXXFGERN-UHFFFAOYSA-N 242.347 3.609 30 20 BHED COc1cccc(NN=C2CCCCCCC2)n1 779817893 UWMABXYPZMGUNU-UHFFFAOYSA-N 247.342 3.602 30 20 BHED C=CCNN=C(C)c1cc(Cl)sc1Cl 794997943 DKBOVKAXQLYMKS-UHFFFAOYSA-N 249.166 3.555 30 20 BHED CCCCCCCN1CCC[C@@](C)(OC)CC1 796500524 NSMRAAFUJVMUOZ-OAHLLOKOSA-N 241.419 3.848 30 20 BHED CC1(C)CCC[C@@H]1NN=C1CC[C@@H]1C1CCC1 814917784 RFABKJSMELHGBI-OCCSQVGLSA-N 234.387 3.721 30 20 BHED C=CCCN[C@@H](CC)c1ccc2c(c1)CCCO2 850503001 YWMUOLLNALKPDU-HNNXBMFYSA-N 245.366 3.628 30 20 BHED CCc1ccccc1NN=Cc1ccccc1F 915051732 PEKWBSGFQPKMCR-UHFFFAOYSA-N 242.297 3.834 30 20 BHED C=C(Cl)CN1CCC[C@H]1c1cccc(C)c1 917985580 YDSLUCQZSTXMCV-AWEZNQCLSA-N 235.758 3.884 30 20 BHED CC(=NOC(C)(C)C)c1ccc(C)c(C)c1O 1319583922 PAYIZNXXBIQONV-UHFFFAOYSA-N 235.327 3.548 30 20 BHED CC(C)CC[C@H]1CCCCN1CC1(CC#N)CC1 1644875037 PKUZBXJWBJFPCP-OAHLLOKOSA-N 248.414 3.971 30 20 BHED C#Cc1cccc(NCc2ccc(F)cc2F)c1 19876799 ZOESQZRZNLUBOG-UHFFFAOYSA-N 243.256 3.558 30 20 BHED Cc1ccc(C)c(COc2ccccc2C#N)c1 42199852 KGMDJMUNGSNTBC-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C=CCCNc1cccc(OC(F)(F)F)c1 70591468 ZELPEDBHSRSEPG-UHFFFAOYSA-N 231.217 3.573 30 20 BHED N#CCC1(CSC2CCCCC2)CC1 83862461 JDJFGKAVJLDNAZ-UHFFFAOYSA-N 209.358 3.746 30 20 BHED CC[C@@H](NCC1(CC#N)CC1)C1CCCCC1 88249875 HTRSBOGIPFISLI-CQSZACIVSA-N 234.387 3.629 30 20 BHED CC(C)[C@@H](c1ccccc1)N(C)CCCC#N 112698977 MRJQKNPZQKSPEK-HNNXBMFYSA-N 230.355 3.619 30 20 BHED C=CC[C@@H](C)NCc1ccc(OCCC)cc1 116927471 JKAUCZYJJYWCTH-CYBMUJFWSA-N 233.355 3.530 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@@H](CC)C1 150825536 HZSQRKKEZBKCPU-UKRRQHHQSA-N 249.398 3.840 30 20 BHED C=CC[C@H](C)NCc1ccc(Cl)cc1F 162977524 NYCKSAUCICAQEJ-VIFPVBQESA-N 227.710 3.533 30 20 BHED C=C(Cl)CNC1CC(c2ccc(C)cc2)C1 164038243 ADLATBNPUBISTD-UHFFFAOYSA-N 235.758 3.583 30 20 BHED COc1ccc(C)cc1CSCCCCC#N 178387469 OBDXAZCMGKQACZ-UHFFFAOYSA-N 249.379 3.931 30 20 BHED CC(C)CC1(CN[C@H]2CCC[C@@H](C#N)C2)CCC1 185857512 WRBUFSPNYJULJE-CABCVRRESA-N 248.414 3.875 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@H](C)CCC(C)C 190037349 KNTVWMDFZJRFAD-OCCSQVGLSA-N 225.376 3.530 30 20 BHED C#C[C@@H](CCC)N[C@@H](CC)c1ccccc1 233295771 OBBYATNTXZBGPF-GJZGRUSLSA-N 215.340 3.529 30 20 BHED C=CCC(CC=C)C(=O)N1[C@@H](C)CC[C@H]1CC 271429538 MSRUFDWRMBGFLL-GXTWGEPZSA-N 235.371 3.544 30 20 BHED CC(C)(C)C[C@H]1CCN(CCC(C)(C)C#N)C1 307769578 DTGJWQIRRNXFCF-CYBMUJFWSA-N 236.403 3.684 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)CCC1CC1 308896897 ZUIKNQOQVMVYKF-CHWSQXEVSA-N 209.377 3.900 30 20 BHED C=CCCC(=O)Nc1ccc(-c2ccc[nH]2)cc1 342182233 RBSUAIIRZSYGAZ-UHFFFAOYSA-N 240.306 3.586 30 20 BHED C=CC[C@@H](C)NC(=O)c1ccc2sccc2c1 349700136 ITDFSEKXXAQKMF-SNVBAGLBSA-N 245.347 3.596 30 20 BHED CCN(CCC#N)C[C@H](c1ccccc1)C(C)C 353385927 VEWZLYMARWRRLG-INIZCTEOSA-N 244.382 3.662 30 20 BHED C=C(C)CCSC[C@@H]1CC1(Cl)Cl 379323249 OQRGQOSNDAIFLO-QMMMGPOBSA-N 225.184 3.880 30 20 BHED C=C(C)CNc1ccc(SC(F)F)cc1 380358974 XNIIINYLYJRDTL-UHFFFAOYSA-N 229.295 3.989 30 20 BHED C=C(Cl)CN[C@@H](Cc1ccccc1)C(C)C 381205518 GEDAMFSDSNLVDX-AWEZNQCLSA-N 237.774 3.596 30 20 BHED CC[C@H]1[C@@H](C)CCN1CCCCC(C)(C)C#N 384285710 MLALGUWHHGVNOF-KBPBESRZSA-N 236.403 3.827 30 20 BHED C=CCC[C@@H](C)NC1CCC(CSC)CC1 385385255 PWHXVJSZOOQNID-IYXRBSQSSA-N 241.444 3.853 30 20 BHED C=C(C)CCNCc1c(F)cccc1Cl 387456953 RJKFSLYRJLNETO-UHFFFAOYSA-N 227.710 3.535 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 393791293 ZCKOALYSDJVHCN-WCQYABFASA-N 248.326 3.600 30 20 BHED C=CCCC[C@@H](C)N[C@H]1CCC[C@@H]2C[C@H]12 398069774 LMUAEQCVRZVTFQ-MQYQWHSLSA-N 207.361 3.509 30 20 BHED C=CCC(C)(C)C(=O)N(CC)Cc1occc1C 412796731 DZXQTEBHIKGTPG-UHFFFAOYSA-N 249.354 3.539 30 20 BHED C=CCCCC[C@@H](C)NCc1c(C)noc1C 449098865 RMCNIRGEBMRQDX-LLVKDONJSA-N 236.359 3.516 30 20 BHED N#CC1(CN2CCC[C@H]2C2CCCCC2)CCC1 450269068 HBKLDHIWURNIAQ-HNNXBMFYSA-N 246.398 3.725 30 20 BHED C=CC(C)(C)CNC(=O)[C@@H](C)CC1CCCC1 452773021 HJWMGUJBQWHXTI-LBPRGKRZSA-N 237.387 3.531 30 20 BHED CCCC1CCC(N[C@@H]2CC[C@@H](C#N)C2)CC1 471605876 KYAQCNMHFUIOKS-HXSCFSKGSA-N 234.387 3.627 30 20 BHED CC(C)c1ccc([C@H]2CCCCN2CC#N)cc1 490692076 DKEVJQUKCXVTPM-MRXNPFEDSA-N 242.366 3.861 30 20 BHED C=C(C)CSCc1c(F)cccc1F 502401781 FHDPLACQLMTXCO-UHFFFAOYSA-N 214.280 3.774 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 531951134 AOSFMUSSGOSNMR-IHRRRGAJSA-N 242.366 3.810 30 20 BHED C=CCCCCS[C@@H](C)CCOC 563629364 YNQWFWTUPWLTSI-NSHDSACASA-N 202.363 3.501 30 20 BHED N#CCC1(CSCc2cccc(F)c2)CC1 596322994 XBDFEBHAXRWIGO-UHFFFAOYSA-N 235.327 3.753 30 20 BHED C=CCCCSc1nc2ccc(OC)cc2[nH]1 605075871 SCPZQJMHFPJVKP-UHFFFAOYSA-N 248.351 3.630 30 20 BHED C=C(C)CN(C1CCC(CC)CC1)C1CC1 613470881 HSDZPUFNKWGYNM-UHFFFAOYSA-N 221.388 3.996 30 20 BHED C=C(C)CCOC(=O)/C=C(\C)c1ccc(F)cc1 744304631 UKXSQMVPQQLIKR-ZRDIBKRKSA-N 248.297 3.738 30 20 BHED C[C@@H]1CC(C)(C)CCC1=NNc1ccccn1 748245045 VDNDPMQWXWRCKX-LLVKDONJSA-N 231.343 3.696 30 20 BHED CC[C@@H](C)C=NNc1ccc(OC(F)F)cc1 755683351 PQMDCLGZUKZYDA-SECBINFHSA-N 242.269 3.732 30 20 BHED CC[C@H](C)C=NNc1ccc(OC(F)F)cc1 755683353 PQMDCLGZUKZYDA-VIFPVBQESA-N 242.269 3.732 30 20 BHED FC(F)C1CC(=NNc2ccccc2Cl)C1 766008438 HENMZSONSQRCFX-UHFFFAOYSA-N 244.672 3.783 30 20 BHED Cc1cccc(CN(CCC#N)CC(C)C)c1C 768154436 SXFFUVXEMCHFIM-UHFFFAOYSA-N 244.382 3.675 30 20 BHED CCCCCCCC[C@H](C)CC(=O)N(C)C 775144815 WXKHRVVOOXBUMD-ZDUSSCGKSA-N 227.392 3.851 30 20 BHED CSc1ccc(C=NNC2CCCCC2)cc1 786043001 DSTXBHHWZAVOCU-UHFFFAOYSA-N 248.395 3.665 30 20 BHED Cc1cccnc1NN=C1CCC12CCCC2 790193137 VDXHWTZHIGEJAM-UHFFFAOYSA-N 229.327 3.512 30 20 BHED CSCCON=CC1CCC(C)(C)CC1 794573388 ZLKNLLAGXRDFSP-UHFFFAOYSA-N 229.389 3.568 30 20 BHED CCCCCCCCC(=O)N1CCC[C@H]2C[C@H]21 804293371 LOYYWQVLQLUPEJ-UONOGXRCSA-N 237.387 3.748 30 20 BHED C=CCCCCCCNC(=O)/C(C)=C/CC 805218824 MMZNPWBMRHFLLI-ACCUITESSA-N 223.360 3.595 30 20 BHED CC(C)(C)CC=NNc1nccnc1C1CCC1 807991094 FYVJXGCQPLSYSU-UHFFFAOYSA-N 246.358 3.578 30 20 BHED C#C[C@@H](NC/C(C)=C\c1ccccc1)C(C)(C)C 809780952 BIPPEFUROFHFBU-OBEJXRGXSA-N 241.378 3.727 30 20 BHED C=CCCCCCCCN[C@@H](C)[C@@H]1CCCO1 810243817 VBHJTPVXXOQKQV-GJZGRUSLSA-N 239.403 3.670 30 20 BHED C=CCCCCOC(=O)C1(F)CCCCC1 811011494 ZNJLWZAQDTXKAN-UHFFFAOYSA-N 228.307 3.558 30 20 BHED CC1(C)CCCCC1=NOC/C=C\Cl 811669684 ICTPILJVEMFREQ-VDJUHVHYSA-N 215.724 3.712 30 20 BHED C[C@H](C=NOC1CCC1)c1cccc(Cl)c1 812235384 UKRRKKPKSCYKGV-SNVBAGLBSA-N 237.730 3.998 30 20 BHED CC(C)CNN=C1CC[C@H](Cc2ccccc2)C1 814892137 LPSKEJSLFVQBKM-OAHLLOKOSA-N 244.382 3.631 30 20 BHED CC(C)CON=CC(C)(C)Oc1ccccc1 834965698 GZAGGRNDWSDFNH-UHFFFAOYSA-N 235.327 3.502 30 20 BHED CCCC(=NNc1ccnc(F)c1)C1CCCC1 834972353 AWUQWQMIIGHHSK-UHFFFAOYSA-N 249.333 3.979 30 20 BHED CCOc1ccc(NN=C2CCC[C@@H]3C[C@H]23)cc1 841639706 GUNGOJGXXYLFEY-RISCZKNCSA-N 244.338 3.673 30 20 BHED C[C@H]1C[C@@H]1C=NNc1cc(F)cc(Cl)c1 853396863 RCUQVPUOULOUHA-JGVFFNPUSA-N 226.682 3.533 30 20 BHED C=CC(C)(C)CC(=O)N1CCCC12CCCCC2 879315231 BPSBZLNDOUSJEK-UHFFFAOYSA-N 249.398 3.914 30 20 BHED C=CC1(OC(=O)c2ccsc2C(F)F)CC1 1345585814 DINVYFDGWDLDON-UHFFFAOYSA-N 244.262 3.561 30 20 BHED C[C@H](CCC#N)CN1CCCC2(CCCCC2)C1 1461989063 OQPKLIGMXBUMNG-OAHLLOKOSA-N 248.414 3.973 30 20 BHED CCCCSCCCOc1cccc(C#N)c1 36333062 UEUCWMDUHQAPAZ-UHFFFAOYSA-N 249.379 3.860 30 20 BHED CC(C)CCNc1ccc(Cl)c(C#N)c1 36972997 QVCPTDXTHJWPQY-UHFFFAOYSA-N 222.719 3.670 30 20 BHED C=CCN(C)Cc1cc(Cl)cc(Cl)c1 52070686 ZRENJPPZBQIOCA-UHFFFAOYSA-N 230.138 3.611 30 20 BHED CC(C)CCCNc1snc(Cl)c1C#N 76651356 CGSUNSSGJFXMPU-UHFFFAOYSA-N 243.763 3.516 30 20 BHED N#Cc1ccc(NCc2cccc3cc[nH]c23)cc1 83377330 JJRCEXXEVCTZCS-UHFFFAOYSA-N 247.301 3.652 30 20 BHED N#Cc1cc(F)c(NC[C@@H]2CC=CCC2)c(F)c1 109809622 KTPSTBIXXMYZOK-SNVBAGLBSA-N 248.276 3.605 30 20 BHED CC(C)CN(CCCCC#N)C1CCCC1 112204719 OQOSEDNMUSNRRT-UHFFFAOYSA-N 222.376 3.581 30 20 BHED C=C(Cl)CN[C@H](C)C(C)(C)c1ccccc1 129768663 DEAREFMMIHEKGT-GFCCVEGCSA-N 237.774 3.695 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1cscn1 133101247 KOOIHHFKHPQDNL-GHMZBOCLSA-N 224.373 3.539 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@H](CCC)C1 153184846 JGKMXGIRVLOMCX-AWEZNQCLSA-N 249.398 3.794 30 20 BHED C=C(C)CNC(=O)C[C@H](c1ccccc1)C(C)C 161180299 PWLQOTBDTCQNHY-HNNXBMFYSA-N 245.366 3.509 30 20 BHED N#Cc1cccc(SCc2cccc(F)c2)c1 177101013 IUZWXGVCTVGMAZ-UHFFFAOYSA-N 243.306 3.990 30 20 BHED CCCC[C@H](CC)CNc1cccc(C#N)n1 227648825 HSBFKLRHHOZQMH-LBPRGKRZSA-N 231.343 3.582 30 20 BHED C#CCCCNc1cccc(CC(F)(F)F)c1 270934784 QYVJPLOCYRYDQN-UHFFFAOYSA-N 241.256 3.617 30 20 BHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1Cl 274393928 BXPFCRJRTNJABF-SDDRHHMPSA-N 248.757 3.683 30 20 BHED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1ccccc1C 285571707 GQTGLNPQXNOHSZ-WFASDCNBSA-N 245.322 3.539 30 20 BHED C=CC[C@H](C)NC[C@H]1C(C)=CCC[C@H]1C 309004738 PJGZLIKSHWYDQY-RDBSUJKOSA-N 207.361 3.533 30 20 BHED CCCCCCC[C@@H](C)NCCCC#N 309170122 KZSQOYZBMGBVLF-CYBMUJFWSA-N 210.365 3.629 30 20 BHED C=C(C)CCOc1ccc(Cl)c([N+](=O)[O-])c1 309281449 GSVOCLAJJBPRBY-UHFFFAOYSA-N 241.674 3.593 30 20 BHED Cc1cnc([C@@H](C)Sc2cccc(C#N)c2)o1 335789588 UDAAHYGWDUVUPR-SNVBAGLBSA-N 244.319 3.708 30 20 BHED Cc1ccc(C)c(SCC2(C#N)CC2)c1 347024112 UEYTYGLHSHHKDC-UHFFFAOYSA-N 217.337 3.699 30 20 BHED C=C(C)CCc1noc([C@@H]2CC=CC[C@@H]2C)n1 347267137 POUQMGHKIFWCGK-NWDGAFQWSA-N 232.327 3.648 30 20 BHED CC(C)(C)SCCSCCCC#N 379413523 LXGKSUMCWGNHAA-UHFFFAOYSA-N 217.403 3.555 30 20 BHED C[C@H](CC(C)(C)C)NCc1cc(C#N)cs1 384513705 HXEKOBBCSPDYNS-SNVBAGLBSA-N 236.384 3.534 30 20 BHED C#CCCCS[C@H](C)c1cccs1 388722706 SRYUFOBEDUTSIP-SNVBAGLBSA-N 210.367 3.956 30 20 BHED CC[C@@H](C)C[C@H](C)NCc1ccc(C#N)c(F)c1 404091095 UGSUDRHVZDAMOI-NEPJUHHUSA-N 248.345 3.612 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)CC 424689169 KSNZJROIFCVHSE-RYUDHWBXSA-N 225.376 3.530 30 20 BHED C[C@H](c1ccc(F)cc1)N(C)CC1(C#N)CCC1 450213122 DINBASZWUHSNEB-GFCCVEGCSA-N 246.329 3.512 30 20 BHED C=CCCCCCN1CCc2sccc2C1 486737637 NVQWDKOWLVBEEZ-UHFFFAOYSA-N 235.396 3.853 30 20 BHED C=CCC(CC=C)c1nc([C@@H]2CC[C@@H](C)O2)no1 528228397 BORFHXJKTAQPGM-PWSUYJOCSA-N 248.326 3.545 30 20 BHED C[C@@H](N(C)Cc1ccc(F)cc1C#N)C(C)(C)C 533249657 LBZGPIURAKHXFR-LLVKDONJSA-N 248.345 3.564 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1ccc(C)c(C)c1 537227297 ZTPJZYXSFXSSBR-CQSZACIVSA-N 245.366 3.778 30 20 BHED CC(C)C[C@H]1CCCCCN1CC1(C#N)CC1 540550145 QYOFUVWVPFFVMZ-CQSZACIVSA-N 234.387 3.581 30 20 BHED C=CCCCN1CC[C@@H](c2cccc(C)c2)C1 543253616 QNGGUYQUUNYAHF-MRXNPFEDSA-N 229.367 3.751 30 20 BHED Cc1cc(S[C@@H]2CCO[C@H](C)C2)ccc1C#N 572180241 RRQSYYCAZRXWNV-BXUZGUMPSA-N 247.363 3.526 30 20 BHED CC[C@H](C)[C@@H](C)N(C[C@H](C)CCC#N)C1CC1 602463414 GCAJGEHPIGHOGV-HZSPNIEDSA-N 236.403 3.825 30 20 BHED C[C@H](CCC#N)CN[C@H]1CCC[C@H]1C(C)(C)C 602692466 IFQGDXNNVZAXEC-MCIONIFRSA-N 236.403 3.731 30 20 BHED N#C[C@H](Cc1ccccc1)SCc1ccco1 604553159 SUHSZEGQENEKMY-AWEZNQCLSA-N 243.331 3.648 30 20 BHED C=CCCC(=O)Nc1ccccc1NC1CCC1 652788508 CBBGSEMCQOFKHJ-UHFFFAOYSA-N 244.338 3.556 30 20 BHED C=CCCN[C@@H]1CCSc2ccc(F)cc21 658117564 XFDFPYCFBMDUAO-GFCCVEGCSA-N 237.343 3.528 30 20 BHED C=C(Cl)CNC(=O)[C@H](CC)CCCCCC 736243242 WGYGXFAEEWQSHE-GFCCVEGCSA-N 245.794 3.852 30 20 BHED CC#CCOC(=O)[C@@H](CCC)CC1CCCC1 745026254 NSDLZCUNJBPZIL-AWEZNQCLSA-N 236.355 3.550 30 20 BHED FC(F)(F)CON=C1CC[C@@H]2CCCC[C@H]2C1 764835654 NECYOLFCWZLXDX-UWVGGRQHSA-N 249.276 3.912 30 20 BHED C=C(C)COC(=O)c1ccc(-c2ccco2)s1 766280175 KRFIIEGTRSKIIL-UHFFFAOYSA-N 248.303 3.741 30 20 BHED C#CC[C@H](N[C@@H]1CC[C@@H](C)C1)c1ccccc1 773118329 YZGDPUPFBPFPMK-BMFZPTHFSA-N 227.351 3.529 30 20 BHED CC(C[C@@H](C)CC(C)C)=NO[C@@H]1CCCCO1 779784531 QDWFJEHDJWWWOS-GXTWGEPZSA-N 241.375 3.978 30 20 BHED C=CCCCCCCCNC(=O)C1(CC)CC1 811590253 VRMSZQHBCGIOAA-UHFFFAOYSA-N 237.387 3.819 30 20 BHED CC(=NNc1cccc(C)c1)c1csc(C)n1 812375056 SGPPCUWTDXEFJT-UHFFFAOYSA-N 245.351 3.596 30 20 BHED CC(C)C1CCC(C=NOCC2CC2)CC1 814243939 VCYPYDQSKQHARV-UHFFFAOYSA-N 223.360 3.861 30 20 BHED CC1(C)CC(=NNc2nc3ccccc3s2)C1 814685580 SIURFHZPGMJYRE-UHFFFAOYSA-N 245.351 3.884 30 20 BHED COc1cccc(NN=C2CC[C@H]2C2CCC2)c1 814778423 DXRMBBIMOIEURH-AWEZNQCLSA-N 244.338 3.673 30 20 BHED C[C@H](NN=C1CC[C@@H]1C1CCC1)C(C)(C)C 814938403 KJDGYUXLWJFAOR-CMPLNLGQSA-N 222.376 3.577 30 20 BHED C[C@@H]1CCC[C@@H](C=NN[C@H](C)c2ccncc2)C1 819816380 ITWGQDOIJLJLCA-MGPQQGTHSA-N 245.370 3.544 30 20 BHED C=CCC1(NC(=O)C[C@@H](C)C2CC2)CCCCC1 836956508 HURFXIMJIPGYSK-CYBMUJFWSA-N 249.398 3.818 30 20 BHED N#CCCSCCSc1ccccc1F 840212592 JWXZMYRLHVECAD-UHFFFAOYSA-N 241.356 3.565 30 20 BHED C#CCCCCCC(=O)N[C@H](CC)[C@H]1CC1(C)C 841363170 UNZWHEMIIHXMFL-ZIAGYGMSSA-N 249.398 3.511 30 20 BHED C=C(Cl)CNc1ccccc1CC(F)(F)F 849315543 YLIKUTLKDABPHR-UHFFFAOYSA-N 249.663 3.956 30 20 BHED CCCCCCCNC(=O)c1ccoc1C1CC1 862357117 NHTWUGJFGRZBHO-UHFFFAOYSA-N 249.354 3.857 30 20 BHED C[C@@H](CCC#N)CN1CCCCCCCC1 877569176 IUNSOPFSWRXVOV-AWEZNQCLSA-N 222.376 3.582 30 20 BHED C=C1CCC(C(=O)N2CCCC[C@H]2CC)CC1 887582052 RCPHIOVEJFHTCO-CQSZACIVSA-N 235.371 3.524 30 20 BHED CC(C)CNN=C1CCC(c2ccccc2)CC1 916365872 MBQSYOISDIEEFG-UHFFFAOYSA-N 244.382 3.946 30 20 BHED C/C=C\COc1ccc(CCC(C)=NOC)cc1 920370926 CAJDDIXFNDTMMD-CXHSGZKMSA-N 247.338 3.596 30 20 BHED Cc1ccc2c(c1)SCC2=NOC(C)(C)C 1344477988 ZCERRSMUWVIJOU-UHFFFAOYSA-N 235.352 3.620 30 20 BHED Cc1cc(C)cc(NCc2cccc(C#N)c2)c1 19952652 JASBOHOPQGYOOS-UHFFFAOYSA-N 236.318 3.787 30 20 BHED Cc1ccc(F)cc1CNc1ccc(C#N)cc1 83368227 VYLKYNZLNPHZBA-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1ccoc1 133096749 YHPXBICQTSHFOV-NEPJUHHUSA-N 207.317 3.675 30 20 BHED C=C[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N 133215249 SRABCGIVERKAEL-QMMMGPOBSA-N 240.228 3.563 30 20 BHED CCCCCCCN(C)Cc1cscn1 157642676 CGHMTWMOCLPSPU-UHFFFAOYSA-N 226.389 3.545 30 20 BHED C=C(Cl)CSCc1ccc(F)cc1C#N 171437975 VEKJBYVICZXYAR-UHFFFAOYSA-N 241.718 3.683 30 20 BHED C#CCCCN[C@@H](C)c1ccc2c(c1)CCCC2 224310308 ONXGWWDXMNLFLY-AWEZNQCLSA-N 241.378 3.629 30 20 BHED CCOc1ccc(N(CC)CCCCC#N)cc1 263793341 IEDYCVHDPRWFHJ-UHFFFAOYSA-N 246.354 3.605 30 20 BHED CC(C)(C#N)CCSCc1ccccc1C#N 276676755 ZXYGSFGXMFGTOT-UHFFFAOYSA-N 244.363 3.731 30 20 BHED C=CC[C@@H](CC)NCc1cccc2cccnc12 281372522 NVXYTXVERSFHSE-OAHLLOKOSA-N 240.350 3.679 30 20 BHED N#CCCN[C@@H](c1ccc(F)cc1)C1CCCC1 299496080 BBYOJLQXDHKSDT-OAHLLOKOSA-N 246.329 3.560 30 20 BHED CC/C=C\CCN[C@@H](C)c1ccc(C#N)cc1 338348279 NLWJCHZRQMEPNV-ZFDPJTLLSA-N 228.339 3.565 30 20 BHED C=CCCC(=O)Nc1ccc(C2CC2)c(C)c1 355930184 IOBWGVDGGPLDMA-UHFFFAOYSA-N 229.323 3.777 30 20 BHED C=CC[C@H](CC)NCc1ccsc1Cl 379596421 FPPXCUGHAALCIF-JTQLQIEISA-N 229.776 3.846 30 20 BHED Cc1ccc([C@@H]2CCCN2[C@H](C)CCC#N)s1 411281703 NQKOKLIHHAREFI-YPMHNXCESA-N 248.395 3.886 30 20 BHED CC(C)CC[C@@H]1CCC[C@H]1N[C@@H](C)CCC#N 411617595 UHEBDFBDZMOGID-SOUVJXGZSA-N 236.403 3.873 30 20 BHED C=CCC1(C(=O)N(CC)CC(=C)C)CCCC1 449154328 MOZNGRGDHQCNNW-UHFFFAOYSA-N 235.371 3.548 30 20 BHED N#CCc1cccc(N[C@@H]2CCC[C@@H]2C2CC2)c1 449697265 LHUCGKKJDGVRBW-HZPDHXFCSA-N 240.350 3.743 30 20 BHED C=C1CCN(CCC2=CCCCC2)CC1 450385390 CGRJWRRXVAYUQA-UHFFFAOYSA-N 205.345 3.529 30 20 BHED C=CCC[C@H](CC)NCCOC(C)(C)CC 453402441 GAAAQDBJSANRCB-ZDUSSCGKSA-N 227.392 3.526 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 467920002 QVISJXORYPSAMO-RMRHIDDWSA-N 237.387 3.530 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@H](C)CCC(C)(C)C 468000354 NJVDPGNYNVRWOS-DOMZBBRYSA-N 239.403 3.920 30 20 BHED C=CC[C@@H](C)[C@@H](C)NC1(Cc2ccccc2)CC1 480671184 RCZCTYADUITBQY-HUUCEWRRSA-N 243.394 3.952 30 20 BHED C=CCC[C@H](CCC)N[C@H](C)[C@@H]1CCCOC1 507478644 NEEZDBZVZWIGCJ-KFWWJZLASA-N 239.403 3.526 30 20 BHED C=CCCC(=O)N(Cc1ccccc1)CC(C)C 523944196 FIPDRUZFMAKCJA-UHFFFAOYSA-N 245.366 3.637 30 20 BHED CC1CCC(N(CCC(C)(C)C#N)C2CC2)CC1 536472210 QSDIRVFOVAKKBN-UHFFFAOYSA-N 248.414 3.969 30 20 BHED C=CCC[C@H](N[C@H]1CCC[C@@H](F)C1)C1CC1 565657089 XDLOJILMYMAEJE-RDBSUJKOSA-N 225.351 3.602 30 20 BHED Cc1ccc(C(=O)/C=C\c2cc(F)ccc2C)o1 588394010 FXKMMIIGXPULEM-ALCCZGGFSA-N 244.265 3.932 30 20 BHED N#Cc1cc(Cl)ccc1N1C[C@@H]2CCCC[C@@H]21 596294244 IJRVQUAKJCDKEE-GWCFXTLKSA-N 246.741 3.590 30 20 BHED C=C[C@H](CC(=O)OCCC1CC1)c1ccccc1 758907576 KDYVSFZXELKGHZ-CQSZACIVSA-N 244.334 3.690 30 20 BHED C#CCCCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1C 779804479 DKWZYIQZZMZCFG-LSDHHAIUSA-N 249.398 3.607 30 20 BHED CC[C@@H]1CCCC1=NN[C@H]1CCCC1(C)C 782288876 SQFGWXYSJMALGT-YPMHNXCESA-N 222.376 3.721 30 20 BHED C[C@H]1CCCC(=NNCCC(C)(C)C)C1 782906887 GAFXDDLJSWIMAD-NSHDSACASA-N 210.365 3.578 30 20 BHED C[C@H](NN=Cc1ccc([C@H]2C[C@H]2C)o1)C(C)(C)C 793116821 UWXFMLMIQODYPQ-MDZLAQPJSA-N 248.370 3.761 30 20 BHED Cc1ccc(C)c(NN=C2CCS[C@H]2C)c1 814753768 ZFBKHFMXXNZEMR-NSHDSACASA-N 234.368 3.597 30 20 BHED CC[C@H](C=NOCC(F)(F)F)c1ccccc1 814880168 SWMUPUVKQPTPDD-SNVBAGLBSA-N 245.244 3.745 30 20 BHED CC(C)CNN=C1CC[C@@H](c2ccccc2)C1 814891855 BUNNZBVZBSHVHL-CQSZACIVSA-N 230.355 3.556 30 20 BHED C[C@@H](CCC#N)CN1Cc2ccccc2[C@H](C)C1 876544224 RABCPMUORLFDLO-UONOGXRCSA-N 242.366 3.546 30 20 BHED C=CC(C)(C)CC(=O)Nc1ccccc1Cl 887585702 PVHKAQCAEMMXSE-UHFFFAOYSA-N 237.730 3.881 30 20 BHED Cc1ccsc1C=NNc1ccc(F)cc1 916268305 XHQICIFHELGNFB-UHFFFAOYSA-N 234.299 3.642 30 20 BHED C=C[C@H](CC)CC(=O)Nc1ccc(C)c(O)c1C 934761420 GPZHLHWHWGAAHI-GFCCVEGCSA-N 247.338 3.550 30 20 BHED C[C@H](CCC#N)CN1C[C@H](C)Cc2ccccc21 1659390047 ROUFNSBEHBBBPR-ZIAGYGMSSA-N 242.366 3.625 30 20 BHED Cc1ccc(Cl)c(Oc2ccc(C#N)cn2)c1 36668846 QXEUDWWNBNGGOP-UHFFFAOYSA-N 244.681 3.707 30 20 BHED C[C@H](N[C@H]1CCC[C@@H](C)C1)c1cccc(C#N)c1 37510546 JISFRFXNPKLZDW-WWGRRREGSA-N 242.366 3.788 30 20 BHED CC[C@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1 44317504 PVEYBHUWQIOOJO-ZFWWWQNUSA-N 228.339 3.939 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cc(C)c(C)cc1C 157298208 SLMXXWZSKJMELZ-KGLIPLIRSA-N 217.356 3.837 30 20 BHED C#Cc1cccc(NC(=O)CCCCCC)c1 161180279 SXHPJOVPIGDRGL-UHFFFAOYSA-N 229.323 3.577 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 163312530 YKTLBKHJKPRCQI-NWDGAFQWSA-N 248.326 3.518 30 20 BHED C=CCCCC(=O)N[C@H](C)c1cc(C)cc(C)c1 175596917 YAXXOASGAJCDOT-CQSZACIVSA-N 245.366 3.837 30 20 BHED C#CCCCCN[C@H]1CCCc2cc(F)ccc21 183331312 ZYOZCLMIDNEDIF-INIZCTEOSA-N 245.341 3.596 30 20 BHED C#CCCCCNC[C@H](c1ccccc1)C(C)C 232744931 TXSDZLBVVNIPQM-KRWDZBQOSA-N 243.394 3.819 30 20 BHED CCc1cc(NCCCC#N)c2ccccc2n1 273278258 CXWUFRNUJJAQQC-UHFFFAOYSA-N 239.322 3.513 30 20 BHED Cc1c(Cl)cncc1N[C@@H]1CCC[C@@H](C#N)C1 294664753 AEBNMNMRCRVHFK-GHMZBOCLSA-N 249.745 3.538 30 20 BHED C[C@H]1CCCC[C@H]1Nc1ncc(C#N)cc1Cl 339239448 WRRNTUIQQDJXMJ-JOYOIKCWSA-N 249.745 3.597 30 20 BHED C=CC[C@@H](Cc1ccccc1)N[C@H](C)C1CC1 414290574 ABVXJTFMTDGFRU-CJNGLKHVSA-N 229.367 3.562 30 20 BHED C=CCC(C)(C)C(=O)NC[C@H]1CCC[C@@H](C)C1 429821326 PWIDOLVPAOSNSU-OLZOCXBDSA-N 237.387 3.531 30 20 BHED C=CCC[C@H](NCc1ccccc1C)C1CC1 439077522 MPWJLGBITAOTGO-INIZCTEOSA-N 229.367 3.829 30 20 BHED C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1 456981672 OCXLUXRILFCKEM-FRRDWIJNSA-N 237.387 3.530 30 20 BHED C=CCCC1(C(=O)N2CCC[C@@H](C(C)C)C2)CC1 476896516 RLBQHTCBWLRQBL-CQSZACIVSA-N 249.398 3.627 30 20 BHED CCN(C[C@@H]1C[C@H]1C)[C@H](C)c1ccc(C#N)cc1 488303749 XFZOWBUZHRDYCQ-IOASZLSFSA-N 242.366 3.597 30 20 BHED C=CC[C@@H]1N(CCCCF)CCCC1(C)C 510782148 UZRGLHKLHWDLPC-ZDUSSCGKSA-N 227.367 3.803 30 20 BHED CC(C)C[C@@H]1CCCCN1CCC(C)(C)C#N 539568352 HKTPEKOXKAROOW-AWEZNQCLSA-N 236.403 3.827 30 20 BHED C=CCNc1ccc(COc2ccccc2)cc1 560943364 CSWCRPMCOPUNMG-UHFFFAOYSA-N 239.318 3.864 30 20 BHED C=CCCC[C@H](C)Nc1ncc(C#N)cc1Cl 565638043 QHHLAYMXSXSAFQ-JTQLQIEISA-N 249.745 3.763 30 20 BHED C=CCCN[C@H]1CCc2cc(F)c(Cl)cc21 624011519 BUXRIIOTQNKOTG-ZDUSSCGKSA-N 239.721 3.632 30 20 BHED C=C(C)CCSc1cc(C)cc(C)n1 682452063 QOELDVNHYHEERH-UHFFFAOYSA-N 207.342 3.757 30 20 BHED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1ccsc1 695786514 HVJWHJIYEUGUGE-QWRGUYRKSA-N 236.384 3.727 30 20 BHED C=CCCOC(=O)C[C@H](C)CC(C)(C)C 729072607 QIDMVPWNVWCKSW-NSHDSACASA-N 212.333 3.568 30 20 BHED CCC(CC)NN=Cc1c(F)cccc1Cl 734364696 BPMUPUIRAQKZKV-UHFFFAOYSA-N 242.725 3.591 30 20 BHED C=CCCOC(=O)C[C@H](C)CCCCC 744049293 MEEVJWCAEPNZOS-GFCCVEGCSA-N 212.333 3.712 30 20 BHED C=C[C@H](C)NC(=O)[C@@H](CCCCC)C(C)C 757012528 KIVVEYOMWJGWFC-STQMWFEESA-N 225.376 3.530 30 20 BHED COc1ccsc1/C=C\C(=O)c1ccccc1 764437670 UGPFWIVEYGYVOP-FPLPWBNLSA-N 244.315 3.653 30 20 BHED CCON=C1CCCC[C@H]1c1ccccc1 767464338 PLXKYBTYXQYMTC-ZDUSSCGKSA-N 217.312 3.737 30 20 BHED N#C[C@H]1CC[C@H](NCC2CCCCCCC2)C1 769942020 GQVLDOANWRJKNG-GJZGRUSLSA-N 234.387 3.629 30 20 BHED CCCCCCC[S@@](=O)CCCCC 774555820 NTNQEWFCNIRILW-AWEZNQCLSA-N 218.406 3.896 30 20 BHED C#Cc1ccc(CNCc2ccccc2CC)cc1 809622980 NROKZVHEAPFNDM-UHFFFAOYSA-N 249.357 3.520 30 20 BHED CC(CC(C)(C)C)=NNC1CCCCC1 834971498 DUTQOCICEVQJST-UHFFFAOYSA-N 210.365 3.721 30 20 BHED C/C(C=NOC(C)C)=C\c1ccccc1 835003758 BDNFKFSPTZYKNH-WKXVJGGTSA-N 203.285 3.501 30 20 BHED N#C[C@@H]1CCC[C@@H](OC(=O)C2=CCCCCC2)C1 839059307 OJSRIURPDPTQNL-TZMCWYRMSA-N 247.338 3.502 30 20 BHED Clc1cccc([C@@H]2CCC(=NNC3CC3)C2)c1 841632165 MWXMNMAPCGKKBH-LLVKDONJSA-N 248.757 3.716 30 20 BHED Clc1ccc(CCCON=CC2CC2)cc1 853735320 QVIQMNOAAULNML-UHFFFAOYSA-N 237.730 3.685 30 20 BHED C=C[C@@H](CC)Cc1nc([C@@H](C)SCC)no1 904023439 QWKAIOAPEIOARQ-ZJUUUORDSA-N 240.372 3.638 30 20 BHED C=CC(C)(C)Cc1nc(-c2ccc(F)cc2)no1 904271516 OQYSHGPVCKOVIY-UHFFFAOYSA-N 246.285 3.630 30 20 BHED C=C(C)CCC(=O)O[C@H](c1ccccn1)C(C)C 1122680780 MMSILTQXGLGCDZ-HNNXBMFYSA-N 247.338 3.678 30 20 BHED CCC(CC)CNc1cccc(C#N)c1C 1205379294 CJHNQSQRXGOZOE-UHFFFAOYSA-N 216.328 3.715 30 20 BHED C=CCC[C@@H](c1ccccc1)c1nnc(CC)o1 1261572070 YEAVSUBVPWQVMQ-ZDUSSCGKSA-N 242.322 3.730 30 20 BHED Cc1cc(C#N)ccc1CN1[C@H](C)CCC1(C)C 1460232862 WTDPIFWFVUKGOX-CYBMUJFWSA-N 242.366 3.630 30 20 BHED CCC1(C)CCC(NCC(C)(C)CC#N)CC1 1462330510 ZKRUJDCUDLZXQS-UHFFFAOYSA-N 236.403 3.875 30 20 BHED C[C@@H](CN1CCc2ccc(C#N)cc21)C(C)(C)C 1658109040 DCSHGYYBAYAYAC-LBPRGKRZSA-N 242.366 3.603 30 20 BHED C[C@@H]1CCN(CCCCC#N)[C@H]2CCCC[C@@H]21 69608237 RDXIOAJKKMDYHY-KFWWJZLASA-N 234.387 3.581 30 20 BHED C=CCCc1nc(-c2cc3ccccc3o2)no1 88339032 YTPPZJPAXLPOQO-UHFFFAOYSA-N 240.262 3.601 30 20 BHED N#Cc1ccc(SCc2ccc(F)cc2)cc1 95563002 HBZKLFOMYUYDEU-UHFFFAOYSA-N 243.306 3.990 30 20 BHED COc1ccc(/C=C/C(=O)c2ccsc2)cc1 98084217 KUVRNQACLXFTDH-QPJJXVBHSA-N 244.315 3.653 30 20 BHED CCCCCCCn1ccnc1CCC 112309264 YNPBTLYITDQMDI-UHFFFAOYSA-N 208.349 3.806 30 20 BHED C=CCSCCN[C@H](C)c1cccc(C)c1 129366413 MCDSHZFWZKKTAS-CYBMUJFWSA-N 235.396 3.565 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc(C)cc1C 157266947 NGLULCAOIZQRPF-OLZOCXBDSA-N 203.329 3.529 30 20 BHED CC(C)CCC[C@H](C)N[C@H]1CCC[C@H](C#N)C1 185759054 BKKKTIFHRAVHBG-KKUMJFAQSA-N 236.403 3.873 30 20 BHED C[C@@H](CCC#N)Sc1ccccc1F 188193284 BNDCSWBPLVCPPQ-VIFPVBQESA-N 209.289 3.610 30 20 BHED Cc1cccc(S[C@@H](C)CCC#N)c1 188304037 BOSXZOSLDLSFKC-NSHDSACASA-N 205.326 3.779 30 20 BHED C/C=C/CS[C@@H](C)c1cccc(C#N)c1 190796349 DTTIRTXJBVPNIF-UFFNRZRYSA-N 217.337 3.929 30 20 BHED C=CCC[C@H](Nc1ccc(COC)cc1)C1CC1 193418061 DANZAWXEUPASGJ-INIZCTEOSA-N 245.366 3.990 30 20 BHED C=C(C)CN(CC)c1cccc(Cl)c1 225032914 ZYQXUNOJCVDDOW-UHFFFAOYSA-N 209.720 3.742 30 20 BHED CC(C)(C#N)CCCCOc1cccc(C#N)c1 232521319 MDEMKIONXYWTAJ-UHFFFAOYSA-N 242.322 3.657 30 20 BHED CCN(C[C@@H](C)C#N)[C@H](C)c1ccccc1C 245796659 OSNPGPWEKDYBIC-GXTWGEPZSA-N 230.355 3.538 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1cccs1 281446858 DBIRJDMIHUKYCV-GHMZBOCLSA-N 209.358 3.753 30 20 BHED C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 295349582 QGGNRJIETSWYQJ-STQMWFEESA-N 245.366 3.507 30 20 BHED CC[C@@H](C)[C@@H](C)Nc1snc(Cl)c1C#N 301737611 CCBJRHONQHTFMC-RNFRBKRXSA-N 243.763 3.515 30 20 BHED C=C(B1OC(C)(C)C(C)(C)O1)c1ccc(C)cc1 306427001 IRVMYTWMAWKUET-UHFFFAOYSA-N 244.143 3.640 30 20 BHED C=CCCSCCCOC(C)(C)C 308158939 TYNRZSHKMYNOAY-UHFFFAOYSA-N 202.363 3.501 30 20 BHED C=CCNc1ccc(C(=O)C(C)(C)C)cc1 309530710 BRWLLVCBBJOOEO-UHFFFAOYSA-N 217.312 3.513 30 20 BHED C=CC[C@@H](CC)NC(=O)c1sccc1C1CC1 341656946 UQPZKZKVQFKFGS-LLVKDONJSA-N 249.379 3.710 30 20 BHED CCCN(CC[C@@H](C)F)Cc1ccc(C#N)cc1 351842931 BCUBYYMVSJMTRX-CYBMUJFWSA-N 248.345 3.518 30 20 BHED C[C@H]1CCC[C@@H](CN2CCC(CCC#N)CC2)C1 399296177 RHYUAGXAAQDQMN-GOEBONIOSA-N 248.414 3.828 30 20 BHED Cc1cc(C(C)(C)C)nc2ccc(C#N)cc12 416393794 VRZODGLXCHKNIA-UHFFFAOYSA-N 224.307 3.712 30 20 BHED C[C@H](CC1CCCC1)NCc1ccc(C#N)s1 421347812 DGFHXXHKWAUXQG-LLVKDONJSA-N 248.395 3.678 30 20 BHED C=CCC1(C(=O)N(C)CC2CCCC2)CCCC1 449812525 DAFLLBWLFVTTNR-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CC(C)(C)c1nc(-c2ccc(C)cc2)no1 453024868 KTDYNHNGPIPYTN-UHFFFAOYSA-N 228.295 3.509 30 20 BHED C=C[C@](C)(CC)C(=O)N1CCC(CC)(CC)C1 467974795 LWZCYILCKOVYDE-CQSZACIVSA-N 237.387 3.627 30 20 BHED C=CCCCNC(=O)Nc1ccc(/C=C/C)cc1 497394585 WGCLWHOPLYUTGD-QPJJXVBHSA-N 244.338 3.807 30 20 BHED C=CCC[C@H](CCC)NC[C@@H]1CCC[C@H]1OC 538195786 RPUJHXNGUQIUAC-SOUVJXGZSA-N 239.403 3.526 30 20 BHED C=CCOCCSCc1ccccc1Cl 549387477 RUJUQIKVUUWJGW-UHFFFAOYSA-N 242.771 3.776 30 20 BHED C=CCC(C)(C)CNC[C@@H]1C[C@H]1c1ccccc1 549829958 CVQWXSWJFAFYET-HOTGVXAUSA-N 243.394 3.982 30 20 BHED C=CCC(C)(C)c1noc(/C=C/C=C\C)n1 551498404 ZELVWEWOQSPXNE-SUHGFZJFSA-N 218.300 3.513 30 20 BHED C=CC[C@H](C)[C@@H](C)NCC1(OCC)CCCC1 556232398 JFTHNWRUQGTGPV-UONOGXRCSA-N 239.403 3.526 30 20 BHED C=CCCCC[C@@H](C)NCc1cccc(OC)c1 557885867 DJMUSJJNTIMGRL-CQSZACIVSA-N 247.382 3.920 30 20 BHED C=CCOCCSCc1ccc(C)c(C)c1 562630606 QBYJUPUTVYWSOW-UHFFFAOYSA-N 236.380 3.739 30 20 BHED CC(C)C[C@@H](C)CN[C@@H](C)c1cccc(C#N)c1 619621149 QQNVQOCIGJLPLN-KGLIPLIRSA-N 244.382 3.891 30 20 BHED N#Cc1ccc(Oc2cc(F)cc(Cl)c2)nc1 705879049 PTWUFVJJXOMFNZ-UHFFFAOYSA-N 248.644 3.538 30 20 BHED C=C[C@@H](CC(=O)OCCC(=C)C)c1ccccc1 759394352 DRLBMRNRJLDERW-AWEZNQCLSA-N 244.334 3.856 30 20 BHED CC(C)CON=C1CC[C@H]1c1ccccc1 769799499 LRDZYAIKUPHOOV-ZDUSSCGKSA-N 217.312 3.593 30 20 BHED CC(=NOCCC(F)(F)F)c1cccc(C)c1 777461024 RVDMIOYYINAADR-UHFFFAOYSA-N 245.244 3.688 30 20 BHED C=CCCCCCCNC(=O)C12CCC(CC1)C2 805218114 SJIPCYIATMLNEM-UHFFFAOYSA-N 249.398 3.819 30 20 BHED Cc1cccc(COC(=O)CCCCCC#N)c1 805695328 QTGHSHUPXVSVOJ-UHFFFAOYSA-N 245.322 3.512 30 20 BHED CC[C@H]1CCC1=NNc1ccc2ccccc2n1 807944769 OTLWJAFQIVVDHY-NSHDSACASA-N 239.322 3.823 30 20 BHED CC(C)C=NNc1cccc(C(F)(F)F)c1 866658217 JSXOXNCTKYDLFB-UHFFFAOYSA-N 230.233 3.759 30 20 BHED C=C1CCC(C(=O)N2CCC[C@@H]3CCC[C@H]32)CC1 889233099 QLXYWCIJEIZGAU-DZGCQCFKSA-N 247.382 3.524 30 20 BHED C#CCN(C1CC1)[C@H](C)c1ccc2ccccc2c1 920416383 LXOAVQRWULAODY-CQSZACIVSA-N 249.357 3.998 30 20 BHED CCN(CCCCC1(C#N)CCC1)CC1CCC1 930291700 YRJRNKMINNNZMG-UHFFFAOYSA-N 248.414 3.973 30 20 BHED C=C(C)CCN1CCC(Nc2ccccc2)CC1 1324150330 JFGKZFYSXISLFB-UHFFFAOYSA-N 244.382 3.529 30 20 BHED C=C(C)CCC(=O)N[C@H](C)c1ccc(F)c(C)c1 1337502181 FZISPGNIBXYQFF-GFCCVEGCSA-N 249.329 3.668 30 20 BHED CC[C@H]1CCCC[C@H]1Nc1cc(C)c(C#N)cn1 1611783245 IULHGIVQINZAFT-GXTWGEPZSA-N 243.354 3.642 30 20 BHED C[C@H]1CCC[C@H](CSc2ccc(C#N)cn2)C1 1640846440 DVNFHCFUDAMBKJ-RYUDHWBXSA-N 246.379 3.872 30 20 BHED C=CCOc1cc(Br)ccc1Cl 70187425 JOHRHASTXFYCNU-UHFFFAOYSA-N 247.519 3.667 30 20 BHED Cc1ccsc1C(=O)/C=C/c1cccc(O)c1 113772031 FNYHRWLFOCEASN-AATRIKPKSA-N 244.315 3.658 30 20 BHED C=C(C)CN[C@@H](c1ccc(OC)cc1)C(C)C 161695389 LEGLHEFNCOSUGT-OAHLLOKOSA-N 233.355 3.558 30 20 BHED Cc1cccc(OCc2ccc(C#N)cc2C)c1 165538574 ZXMCOLGJSVAUOQ-UHFFFAOYSA-N 237.302 3.754 30 20 BHED Cc1ccsc1/C=C\C(=O)c1ccco1 169427670 SRQPGVBSYRSIRH-PLNGDYQASA-N 218.277 3.546 30 20 BHED C[C@@H](CCC1CC1)Nc1ccc(CC#N)cc1 187520388 CACFCJXDXDVHNZ-LBPRGKRZSA-N 228.339 3.743 30 20 BHED CC(C)(CCC#N)CN[C@H]1CCCC(C)(C)C1 229700501 PKVGFVLDVKXCCD-ZDUSSCGKSA-N 236.403 3.875 30 20 BHED Cc1nsc(N[C@H]2CCC[C@@H](C)CC2)c1C#N 235385755 DCIJGVDEDUMMGE-KOLCDFICSA-N 249.383 3.704 30 20 BHED N#Cc1ccnc(Oc2ccc(F)cc2)c1Cl 236257731 YBUOMTQBRWWAMP-UHFFFAOYSA-N 248.644 3.538 30 20 BHED Cc1ccccc1CON=Cc1ccc(F)cc1 251158244 KLKQFJXZQFGBIK-UHFFFAOYSA-N 243.281 3.685 30 20 BHED C=CCSCc1ccc(C(F)(F)F)cn1 277956509 RKCAXBCJSQFKCJ-UHFFFAOYSA-N 233.258 3.520 30 20 BHED CCC(CC)(CC)CNc1ncccc1C#N 301641316 NMYOPODYNQQZPY-UHFFFAOYSA-N 231.343 3.582 30 20 BHED C=CCCCCN[C@@H](C)CCc1ccco1 309207492 MXAQZBGXSHBHGR-ZDUSSCGKSA-N 221.344 3.547 30 20 BHED C=CCCN(C)[C@@H](C)c1c(F)cccc1F 338548571 JVEKIIXQRPEKOW-JTQLQIEISA-N 225.282 3.534 30 20 BHED C=C(C)CCN[C@H]1CCc2ccc(C)cc21 395268399 KGXGOIBQJAWAAR-HNNXBMFYSA-N 215.340 3.538 30 20 BHED CC(C)(CCC#N)CNC[C@H]1CCC[C@H]1C1CC1 414479281 HBZBVKPSGCLFFO-CABCVRRESA-N 248.414 3.732 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@H](C)c1ccccc1 424547290 RTYWNCMLGQCHGF-ZDUSSCGKSA-N 245.366 3.509 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)c1cccnc1 449147758 RFNLUDWTWAAVPI-KGLIPLIRSA-N 232.371 3.867 30 20 BHED C=CC(C)(C)CN[C@@H]1CCCNc2ccccc21 449483850 CSQWMXXOFUTJTA-OAHLLOKOSA-N 244.382 3.735 30 20 BHED C=CC(C)(C)CNC(=O)C1(CC)CCCCC1 452776895 SUEMGBCNRQBHGO-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCC[C@@H](CC)NC[C@@H]1CCOC(C)(C)C1 453404027 DJISLMHSURRYSC-ZIAGYGMSSA-N 239.403 3.526 30 20 BHED C[C@@H](CCNCC(C)(C)CC#N)c1ccccc1 459736320 USUPSFJVCUEBKH-AWEZNQCLSA-N 244.382 3.710 30 20 BHED C=CC[C@@H](C)[C@H](C)NCCCc1ccccc1F 475568643 OLZNBIRRKGYOIH-KGLIPLIRSA-N 249.373 3.949 30 20 BHED COC1(CSc2ccc(C#N)cc2)CCCC1 478713316 LTRWKXZQLVAEIQ-UHFFFAOYSA-N 247.363 3.610 30 20 BHED C=C(C)CN(C)CCc1cccc2ccccc12 507292851 OKKLNFRGTCDQCP-UHFFFAOYSA-N 239.362 3.890 30 20 BHED C=CCN(C(=O)C[C@H](C)C1CCCCC1)C1CC1 539035465 QWKUFFGNBAJROI-ZDUSSCGKSA-N 249.398 3.770 30 20 BHED C=CCCN1CC[C@H](c2ccc(C)cc2C)C1 547771155 HOCLTZQBXNTMIS-HNNXBMFYSA-N 229.367 3.669 30 20 BHED C=CCCCCSC[C@@H]1CCCOC1 579333778 FESJOIYUAHTCDM-GFCCVEGCSA-N 214.374 3.503 30 20 BHED C[C@@H](N[C@]1(C)CC1(C)C)c1ccc(C#N)cc1F 595105912 UHAOMDGJSLKTGR-MEBBXXQBSA-N 246.329 3.537 30 20 BHED C[C@H](CCC#N)CN[C@H](C)CC1CCCCC1 602638733 HCAZAKIQBZFTAG-ZIAGYGMSSA-N 236.403 3.875 30 20 BHED C=CCCCN(C)Cc1ccc(CC)cc1 605149628 GTEUGMKCMSEXER-UHFFFAOYSA-N 217.356 3.647 30 20 BHED CC1(CN[C@@H]2CCC[C@@H](C#N)C2)CCCCC1 618572001 CYOVDFRTHZVXAY-ZIAGYGMSSA-N 234.387 3.629 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H](C)c1ccsc1 644716132 QOSPQXUIGBYNPF-JTQLQIEISA-N 237.368 3.528 30 20 BHED C=CCCC(C)(C)NCc1ccccc1F 657805134 LDOXZZIBECQWDE-UHFFFAOYSA-N 221.319 3.660 30 20 BHED C=CCCCN1CC[C@H]1c1ccc(F)cc1 661510787 IIPZFQJCSSCEKE-AWEZNQCLSA-N 219.303 3.539 30 20 BHED C=CCN(C(=O)[C@@H](C)CC1CCCC1)C(C)C 733915979 AIZFVYJWUKKVAX-ZDUSSCGKSA-N 237.387 3.626 30 20 BHED C=CCN(Cc1ccn(C(CC)CC)n1)C(C)C 746449901 KPIUPRLBARIUAF-UHFFFAOYSA-N 249.402 3.641 30 20 BHED Cc1cscc1N=Cc1ccccc1O 747690404 JDVGAHUGMLMGFH-UHFFFAOYSA-N 217.293 3.513 30 20 BHED CCON=Cc1cc(C)n(C2CCCCC2)c1C 767464875 SBLLCJDAORDVJF-UHFFFAOYSA-N 248.370 3.981 30 20 BHED C=CC[C@@H](C(=O)OC1CCCC1)c1ccccc1 777401996 NLMZOHINFRXRMC-OAHLLOKOSA-N 244.334 3.832 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CCCC[C@H]1CC 779838806 ICVFUHFZAHEKQF-HUUCEWRRSA-N 249.398 3.655 30 20 BHED C#CCCCCCC(=O)NC(CC)(CC)CC 779959871 LVXRFZUNAKQZFC-UHFFFAOYSA-N 237.387 3.655 30 20 BHED CC(C)=C(C)C(=O)O[C@@H](C)c1cccc(C#N)c1 784042078 XHORHVMFUDMRQM-LBPRGKRZSA-N 243.306 3.519 30 20 BHED C[C@H]1CC(=NNC2CCCCC2)CC[C@H]1C 786042073 JMTFNIWROIEQIZ-NEPJUHHUSA-N 222.376 3.721 30 20 BHED CC[C@@H](C)NN=Cc1c[nH]c2cc(Cl)ccc12 790187169 DRSANZFXGAQXMR-SECBINFHSA-N 249.745 3.543 30 20 BHED Cc1cccnc1NN=C1CC[C@@H](C)C[C@@H]1C 790193046 PSZVTUUBNRHWTM-PWSUYJOCSA-N 231.343 3.614 30 20 BHED CC[C@@H](C)CON=C(C)c1c(C)cc(C)cc1O 793145151 HSZKEVSSALHXSU-SNVBAGLBSA-N 249.354 3.796 30 20 BHED CCCC[C@H](C)C(C)=NOCC(F)(F)F 807978542 WFEJGIPBYZXHII-QMMMGPOBSA-N 225.254 3.768 30 20 BHED C=CCCCCCCCN[C@H]1CCO[C@H](C)C1 810160895 XTMVGJNIKQHLBK-CABCVRRESA-N 239.403 3.670 30 20 BHED CC(CCCC(F)(F)F)=NOC/C=C\Cl 811670777 CONDBURKHNJLLJ-DFQCKXBHSA-N 243.656 3.864 30 20 BHED CCCCCCCCC(=O)N(C)CCCC 831044087 DIRUUNSYYZRNTA-UHFFFAOYSA-N 227.392 3.996 30 20 BHED CCCON=C[C@H](OC(C)C)c1ccccc1 842551642 SSYGILFDQADTOE-AWEZNQCLSA-N 235.327 3.565 30 20 BHED C[C@H]1CCCCCC1=NN[C@H](C)c1ccncc1 844602480 SGVRNGFUKLSOBN-QWHCGFSZSA-N 245.370 3.688 30 20 BHED CC(C)c1ccccc1C=NO[C@H]1CCCCO1 848406557 FYOAKFMBFHSXTB-HNNXBMFYSA-N 247.338 3.687 30 20 BHED CCOc1ccc(NC[C@@H](C)CCC#N)c(C)c1 876820509 YTNPNGRFDMJONS-LBPRGKRZSA-N 246.354 3.746 30 20 BHED C=CCC[C@@H](CCC)N[C@@H](C)Cc1cccnc1 897971097 WUSMHXWQNDONGP-GOEBONIOSA-N 246.398 3.737 30 20 BHED Cc1ccc([C@H](NCC(C)(C)C#N)C2CCC2)o1 903100513 QTMDVAWTCLIRGK-CQSZACIVSA-N 246.354 3.569 30 20 BHED C[C@H](c1cccc(C#N)c1)N1CC(C)(C)C1(C)C 1255539335 NOMAYFOOQIULIL-GFCCVEGCSA-N 242.366 3.740 30 20 BHED C=C(C)CCC(=O)NC[C@H](C)c1ccc(C)cc1 1348717397 HDRKAPNWUCLHEH-AWEZNQCLSA-N 245.366 3.571 30 20 BHED C[C@H](N[C@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 37211574 BYIGTYJYTIGCMK-XEZPLFJOSA-N 242.366 3.788 30 20 BHED C[C@@H]1CCC[C@H](Nc2ccc(CC#N)cc2)[C@@H]1C 85097828 ZYHUIAUXPYQASP-IOASZLSFSA-N 242.366 3.989 30 20 BHED Cc1ccc(F)c(OCCCC(C)(C)C#N)c1 87607242 HCCOIOKFRKKFBQ-UHFFFAOYSA-N 235.302 3.843 30 20 BHED CC1(C)CCCC[C@H]1NCc1ccc(C#N)s1 124579493 MWLWFEVSRNYREO-CYBMUJFWSA-N 248.395 3.678 30 20 BHED C=C(Cl)CN[C@@H]1CCCC[C@H]1C(C)C 126069146 BJVOKOFSRMDBNH-NWDGAFQWSA-N 215.768 3.543 30 20 BHED C=CC1CCN(CCCCC(F)(F)F)CC1 153415724 LTXXEMAKAUTKSV-UHFFFAOYSA-N 235.293 3.617 30 20 BHED C=CC[C@H](C)[C@H](C)NCCCCCSC 186776877 UFYKIZIJZMKLEQ-STQMWFEESA-N 229.433 3.710 30 20 BHED C=CCC1(C(=O)Nc2cc(F)ccc2C)CCC1 190382625 JTTOBAYVXAAOFI-UHFFFAOYSA-N 247.313 3.819 30 20 BHED C=CCCCCCn1ccc(=O)c2sccc21 195392626 FXUSSENIJHIZIB-UHFFFAOYSA-N 247.363 3.809 30 20 BHED C=C(C)CCc1noc(-c2cscc2C)n1 284973639 BGZLWPYZDIICRJ-UHFFFAOYSA-N 234.324 3.615 30 20 BHED C[C@@H](CCC1CC1)Nc1ccc(C#N)cc1 302222391 ORDSUKHDNZRRIX-NSHDSACASA-N 214.312 3.549 30 20 BHED C=CCCC[C@H](C)NCc1ncc(Cl)s1 308817847 BBADOBXGESFWAJ-VIFPVBQESA-N 244.791 3.631 30 20 BHED CC(C)(CCC#N)CN1CCc2cc(F)ccc21 338962273 LCBDPJOPXOQWGY-UHFFFAOYSA-N 246.329 3.518 30 20 BHED C=CCN(Cc1cccc(Cl)c1F)C1CC1 350263651 JEZCVTRSCIBQMD-UHFFFAOYSA-N 239.721 3.630 30 20 BHED C=C(C)CCN[C@@H](CC)c1cccc(F)c1 395307838 YJNYEYBRAIXDHF-AWEZNQCLSA-N 221.319 3.833 30 20 BHED C=CCC1(CN[C@@H](C)c2ccncc2)CCCC1 453350273 GEINIUNLLDQRPS-AWEZNQCLSA-N 244.382 3.869 30 20 BHED C=C(C)C[C@@H](C)C(=O)N[C@H](CC)C(C)(C)C 466416290 KMEXNRDNOAKMDZ-VXGBXAGGSA-N 225.376 3.530 30 20 BHED CC[C@H](CC#N)N[C@H]1CCC[C@@H]1CCC(C)C 468474443 FXPBLEYIZLCJJB-KFWWJZLASA-N 236.403 3.873 30 20 BHED C=CCN(C)C1c2ccccc2-c2ccccc21 477721022 GOFCAJFVGSNHKZ-UHFFFAOYSA-N 235.330 3.874 30 20 BHED CC(C)C[C@H](C)CSc1ccc(C#N)cn1 499933720 DLLRMZGDASMHQL-NSHDSACASA-N 234.368 3.728 30 20 BHED C=CCN(CCc1ccccc1F)C1CCCC1 521188614 HSLVSXVPTBSQMI-UHFFFAOYSA-N 247.357 3.799 30 20 BHED C[C@H](N[C@H]1CC[C@@H]1C)c1ccc(C#N)cc1Cl 560573394 YEARMRBVTWNZNF-BHDSKKPTSA-N 248.757 3.661 30 20 BHED C=CCCCN1CCc2sccc2[C@@H]1C 605149623 GGCDYWDMXXTQRC-NSHDSACASA-N 221.369 3.633 30 20 BHED CC#CCCCC(=O)N1CCCC(CC)(CC)C1 618670372 YZWGLVNZPLMKJY-UHFFFAOYSA-N 249.398 3.609 30 20 BHED C=CCCN(C)CC[C@@H](C)c1ccccc1 683714717 GEJSOFDCDUBOSZ-CQSZACIVSA-N 217.356 3.688 30 20 BHED N#Cc1cccc(Oc2cc(F)cc(Cl)c2)n1 703730059 NZXFUBCAPPLGOD-UHFFFAOYSA-N 248.644 3.538 30 20 BHED C=C(C)COC(=O)C[C@H](C)CCCCC 744040105 CMUAZUSXPLPKJY-GFCCVEGCSA-N 212.333 3.712 30 20 BHED C#CC[C@H](N[C@@H](C)C1CCC1)c1ccccc1 773114764 JRTIXNZPAMSSTL-BBRMVZONSA-N 227.351 3.529 30 20 BHED CC1=CCC[C@H](C)[C@H]1C=NOC1CCCC1 774597266 STUWDOLGLBXBIW-JSGCOSHPSA-N 221.344 3.924 30 20 BHED CCCCCC(C)(C)CN[C@@H]1CC[C@@H](C#N)C1 799719043 DYMNMXFXIVOIAB-ZIAGYGMSSA-N 236.403 3.875 30 20 BHED CCCCCCCN[C@H]1CCC[C@H]1CCOC 800483304 FTVWAFBBXCALGK-GJZGRUSLSA-N 241.419 3.752 30 20 BHED C[C@@H]1CC[C@@H](C=NNc2ccccc2)C1 800804042 QPQASHPOGUPBDH-VXGBXAGGSA-N 202.301 3.521 30 20 BHED C[C@@H](C=NOCc1ccccc1)C(C)(C)C 800809799 GVNXJAHHYQXXTI-LBPRGKRZSA-N 219.328 3.871 30 20 BHED C#CC[C@H](N[C@@H]1CC[C@@H]1CC)c1ccccc1 806148979 NDHYGNZIJIBXGA-CWRNSKLLSA-N 227.351 3.529 30 20 BHED Cl/C=C\CON=C(Cc1ccccc1)C1CC1 811672019 OFUMSRWSBHSMHK-KTJIXIAWSA-N 249.741 3.764 30 20 BHED CCC[C@@H](C=NOC(C)C)c1ccccc1 835003074 RBZARHCMNZJVAP-AWEZNQCLSA-N 219.328 3.981 30 20 BHED CCCC[C@@H](C)C(=O)O[C@@H](C)CC(C)(C)C#N 851204109 JSKOVMGDBOZFIB-NEPJUHHUSA-N 239.359 3.684 30 20 BHED CON=Cc1ccc(F)c(-c2cccs2)c1 917543145 GAHJLBRHSZXOCN-UHFFFAOYSA-N 235.283 3.535 30 20 BHED Cc1oc2ccccc2c1[C@@H](C)NCCCC#N 926132625 MSXFOLFUOCUQLC-LLVKDONJSA-N 242.322 3.696 30 20 BHED CC(=NOC(C)(C)C)c1c(F)cccc1F 1116409445 WIJPPAOZZOAGIF-UHFFFAOYSA-N 227.254 3.504 30 20 BHED Cc1cc(C)c(C#N)c(SCC2CC(C)C2)n1 1458773915 WBTBPOGKDWMFMB-UHFFFAOYSA-N 246.379 3.708 30 20 BHED CC(C)C[C@H](C)CN1CCCC(C)(C)[C@H]1C#N 1460060731 RIAJHZMGIZPDTD-UONOGXRCSA-N 236.403 3.683 30 20 BHED CC[C@H]1CCCC[C@@H]1N(C)CC1(CC#N)CC1 1645303194 IPADLZDHPFBCLJ-KBPBESRZSA-N 234.387 3.581 30 20 BHED C#Cc1cccc(NCc2cccc(F)c2F)c1 36888485 IMHLKRRVSRBBGY-UHFFFAOYSA-N 243.256 3.558 30 20 BHED CC[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 61850892 IVBCZAHQGFSFBO-LLVKDONJSA-N 248.757 3.838 30 20 BHED C=C[C@@H](O)c1ccc(-c2ccccc2)cc1 83813504 APDSCJVKWOBAFZ-OAHLLOKOSA-N 210.276 3.573 30 20 BHED N#CCC1(CNc2cccc(Cl)c2F)CC1 83853722 SQLSRNCATAOAEF-UHFFFAOYSA-N 238.693 3.585 30 20 BHED C[C@@H](NCc1cc(C#N)cs1)C1CCCCC1 93492695 IAYVQAXGUFVZOA-LLVKDONJSA-N 248.395 3.678 30 20 BHED C=CCS[C@@H](C)C(=O)Nc1cc(C)ccc1C 114757003 AJZFTPLQPGOWHO-LBPRGKRZSA-N 249.379 3.550 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc(OC)c(Cl)c1 119327184 BEEAGIVCFZHYSC-UWVGGRQHSA-N 239.746 3.574 30 20 BHED C=C(C)COc1cccc(NCC(C)C)c1 127764474 MUKWGRYGBMAMFA-UHFFFAOYSA-N 219.328 3.709 30 20 BHED C[C@@H](NCC(C)(C)C#N)c1ccc(Cl)s1 129210689 KSPNEZRWWQKYSA-MRVPVSSYSA-N 242.775 3.602 30 20 BHED Cc1ccc(/C=C/C(=O)c2ccco2)c(C)c1 130873567 KBGCVNDDMYXACL-BQYQJAHWSA-N 226.275 3.793 30 20 BHED C=CCCCC[C@@H](C)NCc1ccco1 131926281 PHKFRIFSRTYWOH-GFCCVEGCSA-N 207.317 3.504 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cc(C)sc1C 161642277 XTNYDFLOTHXCSE-MWLCHTKSSA-N 223.385 3.980 30 20 BHED CC#CCSCc1csc(C(C)C)n1 166638098 LAGCQEWSWISZJP-UHFFFAOYSA-N 225.382 3.523 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1ccccc1O 179894110 IFDLUGFHPOPRTD-CHWSQXEVSA-N 233.355 3.788 30 20 BHED Cc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1F 185752073 MOMWDUCHGQJQBD-RYUDHWBXSA-N 232.302 3.628 30 20 BHED C=C[C@](C)(CC)C(=O)N1CCC[C@@H](CC)CC1 188425695 TYYHCLAKUNDUGD-UKRRQHHQSA-N 237.387 3.627 30 20 BHED C=CCCCCCN[C@@H](C)c1c(C)noc1C 235510868 KSKQKVSOPKZSME-NSHDSACASA-N 236.359 3.688 30 20 BHED CC(C)CCC[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 248711784 BKKKTIFHRAVHBG-RRFJBIMHSA-N 236.403 3.873 30 20 BHED CC[C@H](C)[C@H](C)N[C@H](C)c1cccc(C#N)c1 249778649 ONNGVTUEAINFHU-RWMBFGLXSA-N 230.355 3.643 30 20 BHED N#Cc1cc(Cl)ccc1CN1CCCCCC1 260778360 JASZIXVYNOWUDI-UHFFFAOYSA-N 248.757 3.588 30 20 BHED CCCC[C@@H](C)C(=O)Nc1cc(C#N)ccc1C 282246234 SWOJUUKEGWNOKR-GFCCVEGCSA-N 244.338 3.632 30 20 BHED C=CC[C@H](C)N[C@H](C)c1csc(C)c1 294095282 BLMUSMZXXQBNIC-GXSJLCMTSA-N 209.358 3.672 30 20 BHED C=CCC(C)(C)CNc1ncc(Cl)s1 308531087 ZXYBBJVRNHANFF-UHFFFAOYSA-N 230.764 3.811 30 20 BHED C=CCCCCCCN[C@@H](CC)[C@@H]1CCOC1 310422616 OWFDZJIXVKNHEW-CABCVRRESA-N 239.403 3.528 30 20 BHED CC1(C)C[C@H]2C[C@@](C)(CN2CCCCC#N)C1 338736781 UDIIPBXOTKWYQH-DZGCQCFKSA-N 234.387 3.581 30 20 BHED C=CCCN(C)Cc1cc2cc(F)ccc2o1 343451288 XTNMPWACMXRRAK-UHFFFAOYSA-N 233.286 3.580 30 20 BHED C=CCCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 352246859 JWCZSWJYYHFHJG-IUODEOHRSA-N 245.366 3.944 30 20 BHED CCC1(C)CCN(CC(C)(C)CCC#N)CC1 353131353 YXEHFVLHRYUAAU-UHFFFAOYSA-N 236.403 3.828 30 20 BHED N#Cc1cc(Cl)ccc1N[C@@H]1CCC[C@@H]1F 378826291 HQEMAJHYWRMUNU-CMPLNLGQSA-N 238.693 3.514 30 20 BHED C=CCCCCNCc1ccsc1Cl 389199003 CGUDLJZPOAULQP-UHFFFAOYSA-N 229.776 3.847 30 20 BHED CCCCCCCCN[C@@H]1CC[C@@H](C#N)C1 390680968 ZSOLOXAQRGGVMS-ZIAGYGMSSA-N 222.376 3.629 30 20 BHED CC/C=C/CCN(C)[C@@H](C)c1cccc(C#N)c1 425535621 NQGUWUMSXMFOHE-GJBLVYBDSA-N 242.366 3.907 30 20 BHED C=CCN(Cc1ccccc1F)C[C@H](F)CC 440701313 KLGGDTJFMLFWIB-CYBMUJFWSA-N 239.309 3.562 30 20 BHED C=CCCCCCOc1cccnc1C 447327973 WRPVUWLOXKMEAZ-UHFFFAOYSA-N 205.301 3.515 30 20 BHED C=CC(C)(C)C(=O)NCCCCC(C)(C)C 448913119 VBHCXRUZINLDCL-UHFFFAOYSA-N 225.376 3.531 30 20 BHED C=C(C)CCNC/C=C\c1ccc(F)c(F)c1 449479787 WEIUOOSWCZDBNO-ARJAWSKDSA-N 237.293 3.534 30 20 BHED CC[C@@H]1CCCC[C@@H]1N(C)CC1(C#N)CCC1 450814209 XZBWWVJSYZZFLI-KGLIPLIRSA-N 234.387 3.581 30 20 BHED C[C@H](C#N)CN(C)CCC1C[C@@H](C)C[C@H](C)C1 464866663 DVMVELRCFHMAEA-MELADBBJSA-N 236.403 3.540 30 20 BHED CC(C)N(CCC#N)CC1CCCCCC1 535073372 ILOZWZOSQJWRBI-UHFFFAOYSA-N 222.376 3.581 30 20 BHED C=CC[C@H](C)N[C@H](Cc1cccc(C)c1)C1CC1 540171465 XOWYAWHTHWEMBF-WMLDXEAASA-N 243.394 3.870 30 20 BHED C=CCC(C)(C)C(=O)Nc1cccc2cc[nH]c12 560383890 YRKOFEUKSXMCHM-UHFFFAOYSA-N 242.322 3.709 30 20 BHED C=CCCCCN1CCC[C@H]1c1cccc(C)n1 563596308 YYJYGWLOGIAINJ-INIZCTEOSA-N 244.382 3.883 30 20 BHED C=CCC[C@@H](CC)NCC1(SCC)CC1 595102039 YNJSCVZLCHRULH-GFCCVEGCSA-N 227.417 3.607 30 20 BHED Cc1ccc([C@@H](C)NC[C@@H](C)CCC#N)cc1 602517284 FFALQDXKKMMBEI-UONOGXRCSA-N 230.355 3.586 30 20 BHED C=CCCC(=O)N[C@H](C)CCC1CCCCC1 604246253 GNBPMGXVAWWPHU-CYBMUJFWSA-N 237.387 3.818 30 20 BHED CC(C)CC(CC(C)C)Nc1cccc(C#N)n1 609892938 NSNLESZVGFQQPG-UHFFFAOYSA-N 245.370 3.826 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C)C1 617777048 HEPHVKHEHUUVDW-RBSFLKMASA-N 249.398 3.627 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H]1CCC(C)(C)C1 620857851 LPBNDUFYSHEJIT-LBPRGKRZSA-N 237.387 3.674 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)c1ccccn1 648436647 LAWIVANNMGEVCP-KBPBESRZSA-N 232.371 3.867 30 20 BHED C=CCCN[C@@H](CC)c1cc(C)ccc1OC 658116719 NWKSBGNFLCWFOI-AWEZNQCLSA-N 233.355 3.620 30 20 BHED C=C(CC)CSc1cc(C)cc(C)n1 682452561 SUKGPCXDWPNUMN-UHFFFAOYSA-N 207.342 3.757 30 20 BHED CCC(=NNc1cc(C)cc(C)c1)C1CC1 741161737 GCRFMIPWOTZELE-UHFFFAOYSA-N 216.328 3.891 30 20 BHED C=CCN(C(=O)c1sccc1C1CC1)C(C)C 762991512 TZAVQMZWNRNIDC-UHFFFAOYSA-N 249.379 3.662 30 20 BHED C=C(CC)COC(=O)C1(Cc2ccccc2)CC1 773523457 NMKCKJWNMDPVTH-UHFFFAOYSA-N 244.334 3.519 30 20 BHED CCCCCCCCCN1CC[C@@H](COC)C1 792231969 RSHJFKHTZKYIEC-OAHLLOKOSA-N 241.419 3.705 30 20 BHED CC[C@H](C)CON=Cc1ccc2ncccc2c1 793144621 FASXLIHOKLJKOP-LBPRGKRZSA-N 242.322 3.631 30 20 BHED CC[C@H](C)CON=Cc1cc2ccccc2[nH]1 793146466 SHJKUBVBZRCFOO-NSHDSACASA-N 230.311 3.565 30 20 BHED Fc1ccc(CON=CCCC2CC2)cc1 807982512 DBHNDFCYHNDHNU-UHFFFAOYSA-N 221.275 3.518 30 20 BHED CCC[C@@H](C)C(CC)=NOC/C=C\Cl 811667980 IJNBCIVHBMGEBH-ZOBMCPEUSA-N 217.740 3.958 30 20 BHED CC(=NOC/C=C\Cl)c1cc(C)sc1C 811671182 BMISMMOJXNNSFX-RPJWMKJJSA-N 243.759 3.858 30 20 BHED CC(Cc1cccc(F)c1)=NOC/C=C/Cl 811672038 OIUIQDKGZLXJJF-DNYIRCPOSA-N 241.693 3.513 30 20 BHED N#C[C@H](OC(=O)CCCC1CC1)C1CCCCC1 812600825 FDRVXGQJPJSQLN-AWEZNQCLSA-N 249.354 3.582 30 20 BHED C=CCC1(CNC2CC(C(F)F)C2)CCCC1 825078933 GBGYDWQTZQCVTH-UHFFFAOYSA-N 243.341 3.756 30 20 BHED Cc1c(NN=CCCC(C)C)cccc1C(=O)O 844624053 TVOJJXOFAMRGMK-UHFFFAOYSA-N 248.326 3.527 30 20 BHED C=C1CCC(C(=O)N2CC3(CCCCC3)C2)CC1 897346205 RBXPQEFLZOUMHQ-UHFFFAOYSA-N 247.382 3.526 30 20 BHED Cc1ccc(C)c([C@H](C)N[C@H]2CC[C@H](C#N)C2)c1 1254650356 ZRQITGVJWLGOLV-KKUMJFAQSA-N 242.366 3.646 30 20 BHED C[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2)C1 19950821 XHDKRSLPQADPDQ-SMDDNHRTSA-N 214.312 3.549 30 20 BHED C[C@@H](CNc1ccc(C#N)cc1)c1ccccc1 21798663 FONPZNUAZVRLPJ-ZDUSSCGKSA-N 236.318 3.774 30 20 BHED N#Cc1ccc(OCCSC2CCCC2)cc1 57406820 QYVBADAXPFCJRT-UHFFFAOYSA-N 247.363 3.613 30 20 BHED C#CCCCNc1ccccc1C(C)(C)C 161053105 ISCFUPFNLPBBAM-UHFFFAOYSA-N 215.340 3.809 30 20 BHED Cc1ccc(/C=C/C(=O)c2ccsc2)cc1 169671118 JMBVUDNWTWYSEF-VOTSOKGWSA-N 228.316 3.953 30 20 BHED C=CCN(CC1CCCCC1)C(=O)[C@@H](C)C1CC1 178491190 NEOYVTPEVAWTHS-ZDUSSCGKSA-N 249.398 3.627 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cccc(SC)c1 189882991 AHIPXQVGVBZRPJ-CQSZACIVSA-N 249.379 3.949 30 20 BHED C#Cc1cccc(N[C@@H](C)C2CCSCC2)c1 192735530 QNEZSESUTSKCEE-LBPRGKRZSA-N 245.391 3.612 30 20 BHED CC(C)CN(CCCCC(C)(C)C#N)C1CC1 232581463 LYENNDUQUXUVAE-UHFFFAOYSA-N 236.403 3.827 30 20 BHED Cc1ccsc1C(=O)/C=C\c1cccc(O)c1 254979941 FNYHRWLFOCEASN-WAYWQWQTSA-N 244.315 3.658 30 20 BHED C=CC[C@H](C)N[C@@H](CC)c1ccc(C#N)cc1 278851978 VQFIWNKNAGEZNC-WFASDCNBSA-N 228.339 3.564 30 20 BHED C=CC(C)(C)C(=O)NC[C@@H](CC)c1ccccc1 294231106 BRNITJNUOUBJAD-CYBMUJFWSA-N 245.366 3.509 30 20 BHED C=CCC[C@H](NCCC(C)C)c1ccco1 309674427 LDKKYYACSLOTTJ-ZDUSSCGKSA-N 221.344 3.923 30 20 BHED Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1Cl 309881912 VVLGQDXCQPVXBG-GHMZBOCLSA-N 234.730 3.753 30 20 BHED C[C@@H](CCC(C)(C)C)Nc1cc(C#N)ccn1 342416624 QBELVVXDMSGSQJ-NSHDSACASA-N 231.343 3.580 30 20 BHED Cc1cccnc1SCc1ccc(C#N)cc1 344584222 UXAYJIFKDZUSBM-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 361689367 KIOCWKXNVXCIAT-HZSPNIEDSA-N 249.398 3.674 30 20 BHED CC[C@H]1CCN(CCC2(C#N)CCCCC2)C1 411333513 OBWPWCHJEZMAGI-AWEZNQCLSA-N 234.387 3.582 30 20 BHED N#CC1(CCN2CC[C@H](C3CC3)C2)CCCCC1 411413947 LGQDJXIBVMOHNY-HNNXBMFYSA-N 246.398 3.582 30 20 BHED C=CCc1ccccc1OCCC1CCOCC1 418835816 ZYISAVZHQNESIT-UHFFFAOYSA-N 246.350 3.611 30 20 BHED CN(CCCCC(C)(C)C#N)C(C1CC1)C1CC1 444605942 FAUBAXCXKPSLCY-UHFFFAOYSA-N 248.414 3.827 30 20 BHED C=CCC1(C(=O)N(C)CCCC)CCCCC1 448646028 FODYKKIUUMEZCB-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@]1(CC)C(C)C 457268551 GQCFHGKTUAULRC-GZBFAFLISA-N 237.387 3.530 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@H](C)CC1 468074577 SGMAAQHUTUXWEP-DZGCQCFKSA-N 249.398 3.840 30 20 BHED C=C[C@@H]1CCCCN1c1nc2ccccc2s1 486460115 APAUIQLEZYZKKQ-LLVKDONJSA-N 244.363 3.841 30 20 BHED C=C(C)CCN1CCC[C@@H]1c1cccc(F)c1 509262389 HGJJCXIXSNFXPB-OAHLLOKOSA-N 233.330 3.929 30 20 BHED C=C1CCN(C(=O)[C@@H](CC)CC2CCCC2)CC1 511134022 GJGHUSBOFFEQJL-HNNXBMFYSA-N 249.398 3.772 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCO[C@H](CC(C)C)C1 541772162 UPVQJKGRLSOMQW-RRFJBIMHSA-N 239.403 3.524 30 20 BHED C=CCC[C@H](C)NCc1ccc(OCC=C)cc1 560573222 GRKHDWLRCFWGNX-AWEZNQCLSA-N 245.366 3.696 30 20 BHED N#C[C@@H](Sc1cccc(Cl)c1)C1CC1 601076920 UKXPHLFXGIJIOW-LLVKDONJSA-N 223.728 3.734 30 20 BHED C=CCC1(C(=O)NCC2CC=CC2)CCCCC1 628542201 OLZICTHBPIKELW-UHFFFAOYSA-N 247.382 3.595 30 20 BHED C=C(C)CCN[C@@H]1CCc2c(F)cc(F)cc21 651420823 UQMPSRTZPSCJTC-CQSZACIVSA-N 237.293 3.508 30 20 BHED C=CC[C@H](c1ccccc1)c1nc(C2CC2)no1 656745307 UXEIKSURGYZVHN-CYBMUJFWSA-N 240.306 3.655 30 20 BHED CCc1ccc(/C=C\C(=O)c2cscn2)cc1 769266555 YGAPSYGXXFWCIV-FPLPWBNLSA-N 243.331 3.602 30 20 BHED C=CCC1(C(=O)NC[C@H](C)C(C)(C)C)CCC1 790646494 VAYOMWGOUHVCDZ-LBPRGKRZSA-N 237.387 3.531 30 20 BHED C[C@]1(C=NNc2cccc(F)c2)CCCS1 792982047 BLHBDVVSDDRXJY-GFCCVEGCSA-N 238.331 3.509 30 20 BHED CSCCON=C1CC[C@H](C)c2ccccc21 794572472 RSWGZBADWAYOHZ-NSHDSACASA-N 249.379 3.668 30 20 BHED C=CCC(C)(C)c1noc(C(C)(Cl)Cl)n1 815708188 JYNQASNKRCNRPC-UHFFFAOYSA-N 249.141 3.574 30 20 BHED C=CC(C)(C)C(=O)Oc1cc(Cl)ccc1F 839289190 JTBWQSFKNUZTNN-UHFFFAOYSA-N 242.677 3.597 30 20 BHED CC[C@@H](CCC(C)C)OC(=O)CC(C)(C)C#N 847740246 NOLPWLKQYCNFQI-LBPRGKRZSA-N 239.359 3.684 30 20 BHED Cc1cccc(NN=C2CCCC23CCC3)n1 863160428 DQICJYYJNOOQTB-UHFFFAOYSA-N 229.327 3.512 30 20 BHED C=CCN(C(=O)C[C@@H](C)c1ccccc1)C(C)C 915147799 KZAKRWZOXAQBHR-CQSZACIVSA-N 245.366 3.603 30 20 BHED CC(=NNc1cc(C)ccc1C)c1cccnc1 916345633 JLMBXGMRNGYXNZ-UHFFFAOYSA-N 239.322 3.535 30 20 BHED CC(=NNc1cc(C)ccc1C)c1ccco1 916345732 LNTNXLMQRWAHJC-UHFFFAOYSA-N 228.295 3.733 30 20 BHED N#CC1(CCCCN2CCC3(CCC3)C2)CCC1 929828316 IHLAMSIVQHZHOW-UHFFFAOYSA-N 246.398 3.727 30 20 BHED C=CCCCCCn1ccc(CCC)n1 1116815913 HPBXABDUBXNQHV-UHFFFAOYSA-N 206.333 3.582 30 20 BHED CC[C@H]1[C@@H](C)CCN1CCC1(C#N)CCCCC1 1169582342 SNWBKSIHSUYWMB-GJZGRUSLSA-N 248.414 3.971 30 20 BHED Cc1occc1SCCc1ccc(C#N)cc1 1473015842 RGXSSASHTCYONJ-UHFFFAOYSA-N 243.331 3.795 30 20 BHED CC[C@@H](CC1CCCCC1)NCC1(C#N)CC1 1664492475 LUUGNIPZLXEPDD-AWEZNQCLSA-N 234.387 3.629 30 20 BHED CCC/C=C/C/C=C/C=C\C=N\N=NO 1774020805 NKTGCVUIESDXPU-KUQWFAPOSA-N 207.277 3.672 30 20 BHED Cc1cccc(CNc2cccc(F)c2C#N)c1 30784763 ZCVYUGIEBNWQCX-UHFFFAOYSA-N 240.281 3.618 30 20 BHED N#Cc1ccc(NCCC2CCCCC2)cc1 37501526 BUPPWGSULZIZDC-UHFFFAOYSA-N 228.339 3.941 30 20 BHED CC[C@@H](C#N)Nc1ccc(F)c(C(F)(F)F)c1 43540847 MLNFZCUCZAUJQU-ZETCQYMHSA-N 246.207 3.559 30 20 BHED CN(c1ccc(Cl)cc1C#N)C1CCCCC1 52859521 DOTAQVCGIGJWDA-UHFFFAOYSA-N 248.757 3.981 30 20 BHED N#Cc1cccc(OCCSC2CCCC2)c1 58006037 BWUYEKOUWQMYCN-UHFFFAOYSA-N 247.363 3.613 30 20 BHED C=C(CC)CN[C@H](C)c1ccccc1C 85057982 JTEJMLHTXWUEQL-CYBMUJFWSA-N 203.329 3.612 30 20 BHED C=CCCCSc1ccccc1OC 117551944 IMCMBYLTFSRDEK-UHFFFAOYSA-N 208.326 3.754 30 20 BHED C=C(C)CN(CC)C(=O)N[C@H](C)CCCCC 125275134 KYDKDTMIOJTJJK-CYBMUJFWSA-N 240.391 3.563 30 20 BHED C=C(C)CN(C)C(=O)Nc1ccc(CCC)cc1 181521838 YCWCZHJZCSXZQA-UHFFFAOYSA-N 246.354 3.679 30 20 BHED CC(C)CCN[C@H](CCC#N)c1ccccc1 181937796 JDEKUVNCXKZJIW-OAHLLOKOSA-N 230.355 3.667 30 20 BHED C#CCCCN[C@H]1C[C@@H](c2ccccc2)C1(C)C 184560102 NQLXWQDDRJPHIU-HOTGVXAUSA-N 241.378 3.572 30 20 BHED Cc1cc(C)cc(N[C@H]2CCC[C@@H](C#N)C2)c1 185723537 ONJILIXKIQSHMT-KGLIPLIRSA-N 228.339 3.798 30 20 BHED C=CC[C@@H](CC)NC(=O)C[C@@H](C)c1ccccc1 281372048 NGSTVHNINXYHOU-UKRRQHHQSA-N 245.366 3.651 30 20 BHED C=CC[C@@H](CC)NC(=O)Nc1ccc(C)cc1C 281421240 QWZVBPRQUIIWOD-CYBMUJFWSA-N 246.354 3.780 30 20 BHED CC(C)CC[C@@H](NCCCC#N)c1ccoc1 286311815 XNQTUDIXTNUMER-CQSZACIVSA-N 234.343 3.650 30 20 BHED CCCC[C@H]1CCC[C@@H]1Nc1ncccc1C#N 301158124 OEEWAUKGWLVDOJ-JSGCOSHPSA-N 243.354 3.724 30 20 BHED CC(C)C[C@@H]1CCN(c2ccc(F)cc2C#N)C1 301434007 QHYIWONFOZBQHZ-LBPRGKRZSA-N 246.329 3.570 30 20 BHED CC[C@@H](C)[C@@H](C)Nc1cc(C(C)=O)ccc1C#N 302098809 KIWYHHVSGIGZPI-GHMZBOCLSA-N 244.338 3.607 30 20 BHED C=CCCSc1nc2ccccc2nc1C 303779552 IHGXCSXPUYRSAE-UHFFFAOYSA-N 230.336 3.606 30 20 BHED C=C(C)CN(Cc1ccoc1)C1CCCCC1 303896340 KWANPYOPNYOSML-UHFFFAOYSA-N 233.355 3.990 30 20 BHED CC[C@H](CC(C)C)C(=O)Nc1ccc(C#N)cc1 308087971 MCTGNQJVRYSREJ-CYBMUJFWSA-N 244.338 3.569 30 20 BHED C=CC[C@@H](CC)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 309068159 ALFHZLVPIIIMEW-RQJABVFESA-N 209.377 3.755 30 20 BHED C[C@H]1CCCC[C@H]1CNc1cccc(CC#N)c1 313412198 RWBIJEHVBHZOQO-ZFWWWQNUSA-N 242.366 3.991 30 20 BHED N#Cc1ccc(/C=C\c2ccsc2Cl)nc1 358666722 XZWABNUDHUKPMY-RQOWECAXSA-N 246.722 3.839 30 20 BHED C=CCC[C@H](CC)N[C@@H]1CCCC[C@H]1F 382232614 PWPOEPJXIZCMQU-YNEHKIRRSA-N 213.340 3.602 30 20 BHED CC[C@@H]1[C@H](C)CCN1CCCCC(C)(C)C#N 384285714 MLALGUWHHGVNOF-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED C[C@H](N(C)Cc1ccc(C#N)c(F)c1)C(C)(C)C 404076602 QVQOIQFZUPAMBD-NSHDSACASA-N 248.345 3.564 30 20 BHED C=CCCCC(=O)Nc1ccc(F)c(F)c1C 412964726 QSONPALJTDCKNS-UHFFFAOYSA-N 239.265 3.568 30 20 BHED N#C[C@H]1CC[C@H](Sc2cc(F)ccc2F)C1 430107717 XXDWCZDKYQUQPM-WPRPVWTQSA-N 239.290 3.749 30 20 BHED CC[C@H](F)CSCc1ccc(C#N)cc1F 442543770 AKPYWQPSHIFWNU-NSHDSACASA-N 241.306 3.679 30 20 BHED CCCC[C@H](CCC)CN[C@H]1CC[C@@H](C#N)C1 442762359 DVJRQROIOUYSIT-ZNMIVQPWSA-N 236.403 3.875 30 20 BHED C=CC[C@H](C)[C@@H](C)NC[C@H]1CCCC1(F)F 449493041 KMLWARIMXOFMEG-QJPTWQEYSA-N 231.330 3.612 30 20 BHED C=C[C@@H]1CCCCN1c1nc2cc(F)ccc2o1 486481164 SHWLWNFTYJCJNL-LLVKDONJSA-N 246.285 3.512 30 20 BHED CC(C)[C@@H]1CCC[C@@H](Nc2ncccc2C#N)C1 505582846 VWZLKQQVQLQLIS-TZMCWYRMSA-N 243.354 3.580 30 20 BHED CCC[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@H](C#N)C1 519155217 AWVYRUSCMUTTET-YJNKXOJESA-N 234.387 3.627 30 20 BHED CC[C@H](CC#N)NC/C=C\c1ccc(Cl)cc1 555162966 CJZINWKMPZVHRV-VQTKUKTRSA-N 248.757 3.635 30 20 BHED C=CCCCCSCc1nccn1C(F)F 562828268 FXPBNFPCTIULNS-UHFFFAOYSA-N 246.326 3.868 30 20 BHED CC(C)[C@@H](C)S[C@@H](C#N)Cc1ccccc1 610288503 VLEPDMMIXAKERT-TZMCWYRMSA-N 233.380 3.899 30 20 BHED C[C@@H]1CCc2ccccc2[C@@H]1NCCCCC#N 611392160 NALANHJEYJKCLI-CZUORRHYSA-N 242.366 3.593 30 20 BHED C=CCN(C(=O)[C@H]1CCC[C@@H](C)C1)C(C)(C)C 622944479 URNAVBVZAARBEV-OLZOCXBDSA-N 237.387 3.626 30 20 BHED C=CCSc1nccn1-c1cccc(C)c1C 685301483 MTFTYFFEVZTGDH-UHFFFAOYSA-N 244.363 3.767 30 20 BHED C[C@H](CC(C)(C)C)N[C@H](C)CC(C)(C)C#N 695835912 IVLDXPZBSZIDQD-VXGBXAGGSA-N 224.392 3.729 30 20 BHED CCCCNN=Cc1cc(Cl)ccc1Cl 753698314 VXVRNMMUFHGLTB-UHFFFAOYSA-N 245.153 3.717 30 20 BHED Cc1ccc(NN=C2CC(C)(C)OC2(C)C)cc1 755874367 NODVQIUZCXTIQS-UHFFFAOYSA-N 246.354 3.740 30 20 BHED CC(=NNCc1cccc(Cl)c1)C1CCC1 756832079 PQOKSKQUSWWPMY-UHFFFAOYSA-N 236.746 3.606 30 20 BHED C[C@H]1CCC[C@@H](CCON=C2CCC2)C1 756875330 WRGJDNPUTTWCBF-RYUDHWBXSA-N 209.333 3.759 30 20 BHED C=C[C@@H](CC(=O)OC1CCCC1)c1ccccc1 759264585 WPHQKWRHUMPQGR-ZDUSSCGKSA-N 244.334 3.832 30 20 BHED CCCCCCC[S@@](=O)[C@@H](C)C(C)C 764558358 FGRCTTBUOCXGFI-GXTWGEPZSA-N 218.406 3.750 30 20 BHED CCC[C@H](C)CC(=O)Oc1ccc(C#N)c(C)c1 765091302 GQOFSLBBKKYQEJ-NSHDSACASA-N 245.322 3.598 30 20 BHED C=CCOc1cccc(CN(CC=C)C(C)C)c1 768548144 WWFSITWZXFSMQS-UHFFFAOYSA-N 245.366 3.648 30 20 BHED CCOCCON=CC[C@H](C)CCC=C(C)C 774438195 QVZRDFUUUAIEHY-CQSZACIVSA-N 241.375 3.798 30 20 BHED CC[C@H]1C[C@@H](C)CCC1=NNc1ccnc(F)c1 781130177 PLTJFNJPLXBFJQ-QWRGUYRKSA-N 249.333 3.835 30 20 BHED C[C@@H]1CCCC[C@H]1C=NNc1ccc(C#N)cc1 783827993 RXOJOMONFZOGRJ-OCCSQVGLSA-N 241.338 3.782 30 20 BHED CCc1ccc(C=NNC2CCCCC2)s1 786041901 FUAWMEKKGVQQIW-UHFFFAOYSA-N 236.384 3.567 30 20 BHED CC(=NNc1ncccc1C)c1cccc(C)c1 790188359 XWVYLUDWSHOFJG-UHFFFAOYSA-N 239.322 3.535 30 20 BHED C=CCN(C(=O)[C@@H]1CCCC[C@@H]1CC)C(C)C 793417114 JOAKRAKQMWEIQK-UONOGXRCSA-N 237.387 3.626 30 20 BHED CC[C@@H](C)CCC(=O)Oc1ccc(C#N)c(C)c1 808779527 HKMCTYLGEREZAW-LLVKDONJSA-N 245.322 3.598 30 20 BHED C#C[C@H](CC)N[C@H]1CCC[C@@H]1c1ccc(C)cc1 809686044 JRUBCNHDOSSENO-ZACQAIPSSA-N 241.378 3.633 30 20 BHED C/C(C=NOC/C=C/Cl)=C\c1ccccc1 811668034 JXEPYENGWSKTDP-ZQNFNYJBSA-N 235.714 3.845 30 20 BHED C[C@@H]1CCCC[C@H]1C=NOCCC1CC1 814246098 SLUZGAJYUJYORG-YPMHNXCESA-N 209.333 3.615 30 20 BHED C[C@H](C=NOCCC1CC1)c1ccccc1 814246490 OYMCUFNCDIBECA-GFCCVEGCSA-N 217.312 3.593 30 20 BHED CC(CC(C)(C)C)=NNc1ccc(C#N)cc1 834942357 ZGCSEOYSMIRFJY-UHFFFAOYSA-N 229.327 3.782 30 20 BHED C=C[C@@H](C)ON=C1CC[C@H]1c1ccccc1 844625485 MKMBZJOULBBGIK-YPMHNXCESA-N 215.296 3.511 30 20 BHED C=CC(C)(C)CC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 891165995 XBNKFUXTAOROMP-OLZOCXBDSA-N 249.398 3.626 30 20 BHED CCCCCCCCCC(=O)N1CC[C@@H](F)C1 1117796249 FORFQTHWTKMIQF-CYBMUJFWSA-N 243.366 3.698 30 20 BHED COc1ccc(CCC=NOCC(C)C)c(C)c1 1338402865 PEURTNQMBOBXIK-UHFFFAOYSA-N 249.354 3.595 30 20 BHED C[C@@H](CCC#N)CNC[C@H]1CCCC(C)(C)C1 1560889002 LCQMNBPXRIMSAA-KBPBESRZSA-N 236.403 3.732 30 20 BHED CC[C@@]1(C)CCN(CCC2(C#N)CCCCC2)C1 1652905649 OWOLBGYJXRTQAS-HNNXBMFYSA-N 248.414 3.973 30 20 BHED C=C(Cl)CN1CCC[C@@]1(C)Cc1ccccc1 1653187199 JEONBEYTVSRSTR-HNNXBMFYSA-N 249.785 3.836 30 20 BHED C=C(C)CNC(=S)Nc1ccc(C(C)C)cc1 7527438 YSFDFEVSPQMXGN-UHFFFAOYSA-N 248.395 3.673 30 20 BHED O=C1/C(=C\c2cccnc2)CCCc2ccccc21 13281633 UFKIBTZHNXDHOF-PTNGSMBKSA-N 249.313 3.684 30 20 BHED CC[C@@H](C)CNc1ccc(Cl)c(C#N)c1 36972804 WJIAXCWFXZSIER-SECBINFHSA-N 222.719 3.670 30 20 BHED CC[C@H](c1ccccc1)[C@@H]1CCCN1CCC#N 69679577 DCEFVGSTDBKCAM-CVEARBPZSA-N 242.366 3.558 30 20 BHED N#Cc1c(F)cccc1NCC(C1CC1)C1CC1 90801897 XKOOMQZPOYZALZ-UHFFFAOYSA-N 244.313 3.545 30 20 BHED N#CCCCCN[C@H](c1ccccc1)C1CCC1 104702612 NTXCTDINZDBRCL-MRXNPFEDSA-N 242.366 3.811 30 20 BHED N#Cc1cc(F)ccc1NCCC1=CCCCC1 111026653 JXXMOHRRPUBQBH-UHFFFAOYSA-N 244.313 4.000 30 20 BHED C#CCCCN[C@H](C)c1ccc(OC(C)C)cc1 178059141 GWFZTGWGLUQFPU-CQSZACIVSA-N 245.366 3.538 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1csc(C(C)C)n1 186408445 JVCOFZBIIQUMSO-GHMZBOCLSA-N 238.400 3.882 30 20 BHED C=CC[C@H](C)NC[C@@H](c1ccccc1)C(C)C 232724908 QJTKMLMOMWPKHF-GOEBONIOSA-N 231.383 3.980 30 20 BHED N#CCC1CCN(CCC2CCCCC2)CC1 260116942 QRKHKVNDAYSHIR-UHFFFAOYSA-N 234.387 3.582 30 20 BHED N#CCCCN[C@H]1CCCC[C@@H]1c1ccccc1 273161307 KLAAREKFILCPBH-CVEARBPZSA-N 242.366 3.606 30 20 BHED C=CCC(C)(C)CN[C@H]1CCCc2cccnc21 311096849 SIKXRMCTOCXTCL-AWEZNQCLSA-N 244.382 3.651 30 20 BHED CC1(C#N)CCC(Nc2ccccc2)CC1 336227279 KEQBQRWQLQOJJC-UHFFFAOYSA-N 214.312 3.571 30 20 BHED C=C[C@@H](C)N[C@H]1CC2(CCC2)Oc2ccccc21 358317656 LDYUWIMGGCBSMI-OCCSQVGLSA-N 243.350 3.597 30 20 BHED C=CC(C)(C)CN[C@H](C)c1cccc(OC)c1 384913844 DYRWZNGVZJKLOI-GFCCVEGCSA-N 233.355 3.558 30 20 BHED C=CCC(C)(C)CNCc1cccc(COC)c1 394055020 ATGJWWLMKCJNFQ-UHFFFAOYSA-N 247.382 3.525 30 20 BHED C=CC[C@@H](CC)NC(=O)CC1CCCCCC1 410127346 LTDVSNCRQDAHBO-CQSZACIVSA-N 237.387 3.818 30 20 BHED C=C1CCN(CCC2(C#N)CCCCC2)CC1 411269609 FGBPFOXDPYLKBI-UHFFFAOYSA-N 232.371 3.503 30 20 BHED C=CCC[C@H](CC)NC[C@@H](C)CC(F)(F)F 414292607 YPGBACIWSVAFQU-QWRGUYRKSA-N 237.309 3.909 30 20 BHED CC[C@H]1CCC[C@H]1NCc1ccc(C#N)c(C)c1 443999228 CALRZNXMSQZTCQ-GOEBONIOSA-N 242.366 3.535 30 20 BHED C[C@H](c1ccccc1F)N(C)CC1(C#N)CCC1 450270586 NIMDELJYSKJVHT-GFCCVEGCSA-N 246.329 3.512 30 20 BHED C=CCCCCCN(C)C(=O)[C@H]1CC12CCCC2 473897273 VNIPBIWYUXBRIG-CQSZACIVSA-N 249.398 3.772 30 20 BHED C=C[C@](C)(CC)C(=O)N1CCCC2(CCCC2)C1 474642335 WMXAAJLTKBPNJM-OAHLLOKOSA-N 249.398 3.772 30 20 BHED CCCN(CC)Cc1ccccc1C(C)(C)C#N 487364293 HKYKHHSULQVCTO-UHFFFAOYSA-N 244.382 3.720 30 20 BHED C=C[C@@H]1CCCCN1Cc1ccccc1SC 489485973 HTGNMWAEBOLJAD-CQSZACIVSA-N 247.407 3.949 30 20 BHED C=C(C)CN(CC)Cc1cc2cc(F)ccc2o1 505848793 ZPYXELOTKBOZEN-UHFFFAOYSA-N 247.313 3.970 30 20 BHED C=CCN1CC[C@H](C)Sc2ccccc21 510612434 DIERZSCUYKPIRX-NSHDSACASA-N 219.353 3.563 30 20 BHED Cc1cn(Cc2c(F)cccc2Cl)cc1C#N 531578101 IWDMVZAHFMMCON-UHFFFAOYSA-N 248.688 3.509 30 20 BHED C=CCCCN1C[C@@H](C)c2ccccc21 605149907 NXKYEPPSVXZFEP-GFCCVEGCSA-N 201.313 3.576 30 20 BHED CCC[C@H]1CCCC[C@@H]1Nc1cccc(C#N)n1 609893030 YDXFWIXQCQKTBS-JSGCOSHPSA-N 243.354 3.724 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccc(C)nc1C 651425976 SUVCHTHYTCNVKL-GFCCVEGCSA-N 232.371 3.561 30 20 BHED CC(C)Oc1cc2c(Cl)nccc2cc1C#N 669370753 WAGYOSUNFIAHCN-UHFFFAOYSA-N 246.697 3.547 30 20 BHED C=CC[C@H](CC)NCc1cc2ccccc2[nH]1 684930534 FPUFZUQYMKFLOE-ZDUSSCGKSA-N 228.339 3.612 30 20 BHED C[C@@H](COc1ccc(C#N)c(F)c1)C(C)(C)C 711127887 KPEXCPICLNUYKA-JTQLQIEISA-N 235.302 3.758 30 20 BHED N#CCCCCN[C@@H]1CC[C@H]2CCCC[C@H]2C1 723669946 QTHPUEIJRBLDOJ-QLFBSQMISA-N 234.387 3.629 30 20 BHED CCC(CC)NN=C/C(C)=C\c1ccccc1 734364849 IKIAOMHBDUELNU-SDJBDLEBSA-N 230.355 3.854 30 20 BHED C=CCCCC(=O)O[C@@H](C)c1ccc(F)cc1 748225759 KEPHJVKSHAQGKO-NSHDSACASA-N 236.286 3.786 30 20 BHED Fc1ccc(C2=CCC(=NNC3CC3)CC2)cc1 758130550 XPZQCFAJOCWIJR-UHFFFAOYSA-N 244.313 3.501 30 20 BHED C#CCCCN1C[C@H](c2ccccc2C)C[C@@H]1C 766903404 RMMJABCGCZUDBI-JKSUJKDBSA-N 241.378 3.586 30 20 BHED CC(=NOC1CCCC1)c1ccc(C)c(C)c1O 774604428 XKWZLGORIBVACJ-UHFFFAOYSA-N 247.338 3.692 30 20 BHED CCC(CC)=NNc1ccc(Cl)c(OC)c1 788467281 IJRHUVNVXOTVSG-UHFFFAOYSA-N 240.734 3.937 30 20 BHED CCc1cccc(C)c1NN=C(C)CCCOC 799493792 PRSMNURGDVKYHF-UHFFFAOYSA-N 248.370 3.772 30 20 BHED CCc1cccc(C)c1NN=C(C)c1ccoc1 799493819 QSQONGLRPZFOKI-UHFFFAOYSA-N 242.322 3.987 30 20 BHED C[C@H](/N=C\c1ccccc1O)c1ccsc1 800790785 UTTYPUZNJUTJJN-WULZRQGASA-N 231.320 3.634 30 20 BHED C=CCCCCOC(=O)[C@@H](C)c1ccc(C)o1 811010736 GPWMQNDFQOWWOR-LBPRGKRZSA-N 236.311 3.591 30 20 BHED C#CCCCCCC=NNc1ccc(Cl)cn1 853436213 WIERVWLWIUJJQH-UHFFFAOYSA-N 249.745 3.716 30 20 BHED CCCON=Cc1csc(C(F)(F)F)c1 863123022 BNHREVAEDPYETD-UHFFFAOYSA-N 237.246 3.527 30 20 BHED CC(C)CC(=NOC(C)(C)C)c1ccccn1 1116408963 PREQZJIIKZLDQL-UHFFFAOYSA-N 234.343 3.647 30 20 BHED CC(C)CN(C[C@H](C)CCC#N)CC(C)(C)C 1179941965 JDNHVVSCHWMUNE-CQSZACIVSA-N 238.419 3.930 30 20 BHED C=C(C)CN1C[C@@H]2CCCC[C@@]21c1ccccc1 1319810012 XQJYSOHQOHSWBW-DLBZAZTESA-N 241.378 3.964 30 20 BHED C=C(C)CCC(=O)NC1(C2CCCCC2)CC1 1337458632 IALXOCQSZIOUPS-UHFFFAOYSA-N 235.371 3.572 30 20 BHED CC#CCCCC(=O)N[C@@H](C)CCCC(C)C 6262146 FRPYSDIEXCZXGR-AWEZNQCLSA-N 237.387 3.511 30 20 BHED CC(C)CC[C@@H](C)Nc1ccc(C#N)cc1 20561191 KURPBUVPKORTAC-GFCCVEGCSA-N 216.328 3.795 30 20 BHED CCN(CCC#N)Cc1cccc2ccccc12 42454523 YCOLWXFTAMRSKF-UHFFFAOYSA-N 238.334 3.575 30 20 BHED C[C@H](c1ccc(Cl)c(Cl)c1)N(C)CC#N 63751891 KLDMJZLTRFHAMG-MRVPVSSYSA-N 243.137 3.510 30 20 BHED Cc1cccc(CSCC2(CC#N)CC2)c1 88259745 RJXXHTSUWKEDAS-UHFFFAOYSA-N 231.364 3.922 30 20 BHED CCCCCCCNC[C@@H]1CC=CCC1 105807288 OUDYXTQVUJBHTF-CQSZACIVSA-N 209.377 3.903 30 20 BHED C=CCC[C@H](C)N[C@H](C)c1cc(C)oc1C 126686961 HLAIDULKBMYFLZ-CMPLNLGQSA-N 221.344 3.902 30 20 BHED C=CCC[C@H](C)NCc1sccc1C 126787982 BEUPRUCPIYTICE-NSHDSACASA-N 209.358 3.501 30 20 BHED CC#CCCSc1ncnc2sc(C)cc12 154982880 OGJKUMLIAYVPCK-UHFFFAOYSA-N 248.376 3.505 30 20 BHED C=C(Cl)CN[C@@H](CC)c1cccc(F)c1 164088632 PKCDAYDFSAQUJO-LBPRGKRZSA-N 227.710 3.619 30 20 BHED C[C@@H](SCCCF)c1cccc(C#N)c1 190811616 NPTCMVSRAPXOBI-SNVBAGLBSA-N 223.316 3.712 30 20 BHED CC[C@@H](C)CSCCOc1ccccc1C#N 229046003 KJCQRAVSSJTTEE-GFCCVEGCSA-N 249.379 3.716 30 20 BHED Cc1csc(CSCCC(C)(C)C#N)n1 276587440 HVCSUROGXLEKPW-UHFFFAOYSA-N 240.397 3.625 30 20 BHED N#C[C@H]1CC[C@H](Sc2cccs2)C1 278667436 XOZNBPYCOYJUGT-IUCAKERBSA-N 209.339 3.532 30 20 BHED CC#CCCCC(=O)Oc1ccccc1SC 297812820 UCTAYIYPPUJYEA-UHFFFAOYSA-N 248.347 3.508 30 20 BHED C=C(C)CNc1c(F)cc(Cl)cc1F 306760723 RDBMDAGPEMJOMZ-UHFFFAOYSA-N 217.646 3.606 30 20 BHED C=CCCCCNc1nc(C)c(C)s1 308516506 VEXQCNJWUCSLTR-UHFFFAOYSA-N 210.346 3.528 30 20 BHED C=CC[C@H](CC)NCc1sccc1Cl 308615581 RSIAHXLNLYXJRX-VIFPVBQESA-N 229.776 3.846 30 20 BHED C=CCC(C)(C)CN[C@@H]1CCc2ccccc2C1 310854443 MSWFQVYUSFSNLB-MRXNPFEDSA-N 243.394 3.736 30 20 BHED C=CCN1CCCC[C@H]1c1nc2ccccc2o1 335519011 KPMXRPVHJWIJDA-ZDUSSCGKSA-N 242.322 3.541 30 20 BHED Cc1nc(N[C@H]2CCC[C@@H]2C)c(Cl)cc1C#N 336705877 LHAJHEBTXOYCKA-UFBFGSQYSA-N 249.745 3.516 30 20 BHED C=C(CC)CN(CCC#N)CC(CC)CC 358502028 UUAYHWDQZIUKQT-UHFFFAOYSA-N 222.376 3.604 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc(F)cc1C 378784424 JAMCMJGUMQIAPG-RYUDHWBXSA-N 221.319 3.749 30 20 BHED C=CC[C@@H](CC)NCc1ccc(F)cc1Cl 381333563 UVZXLRNEIALXHP-GFCCVEGCSA-N 241.737 3.923 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc(OC)cc1Cl 424281335 ILPFZHNTQBVKCO-UWVGGRQHSA-N 239.746 3.574 30 20 BHED CCc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1C 442829058 OHTGAETYAJFTEG-WFASDCNBSA-N 228.339 3.662 30 20 BHED C=CC[C@@H]1N(CC(F)(F)F)CCCC1(C)C 444786512 VFWONXPWTXUBGB-JTQLQIEISA-N 235.293 3.615 30 20 BHED C=CCCCC[C@H](C)N[C@H]1CCCc2c[nH]nc21 449197336 ZBCLCHFGQQJGDY-JSGCOSHPSA-N 247.386 3.512 30 20 BHED C=CCC1(C(=O)N2CC[C@H](CC)C2)CCCCC1 450085564 BGIJTCLXKJCHBR-AWEZNQCLSA-N 249.398 3.772 30 20 BHED C=CC(C)(C)CNC(=O)CCCC(C)(C)C 452774525 LURSQQWOFMNRLG-UHFFFAOYSA-N 225.376 3.531 30 20 BHED CC#CCCCC(=O)N(CCCCC)C(C)C 464558850 HQMOZTBSRQELJC-UHFFFAOYSA-N 237.387 3.607 30 20 BHED C=C(C)CN1CC[C@H](Cc2ccccc2)[C@@H]1C 472328902 QQXSBNABVDOFNZ-GOEBONIOSA-N 229.367 3.516 30 20 BHED C=C(C)[C@H](N[C@@H](C)CC)c1ccc(F)c(F)c1 501033532 ULECQUOZOUZHDF-HZMBPMFUSA-N 239.309 3.970 30 20 BHED C=C(C)CCc1noc([C@@H]2CCC[C@H](C)C2)n1 508688371 WFSPSNUUZFPJBL-NWDGAFQWSA-N 234.343 3.872 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 566036309 BDLQIPXBPJPRTM-QPSXIRMHSA-N 241.378 3.515 30 20 BHED C[C@@H](N[C@@]1(C)CC1(C)C)c1ccc(C#N)c(F)c1 595102148 KNRHBHJUTLDZOC-BMIGLBTASA-N 246.329 3.537 30 20 BHED CCN(Cc1cccc(C(C)C)c1)[C@H](C)C#N 595820476 VZDGSGSKDHWVOY-CYBMUJFWSA-N 230.355 3.544 30 20 BHED C[C@@H](CCC#N)CNC(C)(C)c1cccc(F)c1 602559148 UENBNWNBXAYIPU-LBPRGKRZSA-N 248.345 3.590 30 20 BHED C=CCCN1CCC[C@@H]1c1ccc(C)cc1 606896278 GIXWQPRLGGMBPZ-OAHLLOKOSA-N 215.340 3.708 30 20 BHED C[C@@H](C#N)N[C@@H](CC1CCCCC1)C(C)(C)C 609677357 YXBQDQDJKUIZJL-JSGCOSHPSA-N 236.403 3.873 30 20 BHED CC1=CCC[C@H](C)[C@@H]1CN1CCC[C@@](C)(C#N)C1 615506949 NYJRSBCDPXNYHU-XHSDSOJGSA-N 246.398 3.604 30 20 BHED CC#CCCCC(=O)Nc1ccc2occc2c1 628959631 XCOQDCYAPKFFIB-UHFFFAOYSA-N 241.290 3.565 30 20 BHED C=C[C@@H]1CCCCN1C(=O)c1sc(C)cc1C 632782017 YYCHLKSGTIASMW-GFCCVEGCSA-N 249.379 3.546 30 20 BHED C=CCCCCN1CC(C)(C)[C@H]1c1ccncc1 664828571 GWZOELNIAFKQBD-OAHLLOKOSA-N 244.382 3.821 30 20 BHED C#C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)C(C)(C)C 705219446 PMEURPPTAWEWDX-WHOFXGATSA-N 245.366 3.541 30 20 BHED CC(=NNc1cc(F)cc(F)c1)C1CCC1 747633426 QHBDLIKWJSHIGG-UHFFFAOYSA-N 224.254 3.553 30 20 BHED C#CC[C@H](NCc1ccc(C)cc1)c1ccccc1 756994970 AFVARVQUNPCYPJ-SFHVURJKSA-N 249.357 3.849 30 20 BHED C#CCCCN1CC[C@@H](c2ccccc2)[C@H](C)C1 766902550 KKYKWRIWQFWKLJ-NVXWUHKLSA-N 241.378 3.525 30 20 BHED Fc1cccc(Cl)c1CCON=C1CCC1 767933435 KKORIXONZJNSHN-UHFFFAOYSA-N 241.693 3.578 30 20 BHED C#CCCCCC(=O)N1CCCC[C@H]1[C@@H](C)CC 773402540 SDVBTCIXMHNAOF-GJZGRUSLSA-N 249.398 3.607 30 20 BHED Cc1cc2ccccc2nc1NN=C[C@H]1C[C@@H]1C 776786471 WECZNFAUWSYZAI-GXFFZTMASA-N 239.322 3.597 30 20 BHED C[C@@H]1C[C@H]1c1ccc(C=NNC2CCCCC2)o1 786042882 CDJMOQBHBMZQHB-BXUZGUMPSA-N 246.354 3.659 30 20 BHED C/C=C(\CC)C(=O)Nc1ccc(C#N)cc1Cl 789658424 HVYIGVLFJFFUAP-XCVCLJGOSA-N 248.713 3.506 30 20 BHED C=CCNN=C(C)CC(C)(C)c1ccccc1 794993698 FNIHYFKKUCSMDH-UHFFFAOYSA-N 230.355 3.506 30 20 BHED C=CCCCCC[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 818356994 UHXXVEHZBLKTCM-QLFBSQMISA-N 234.387 3.793 30 20 BHED CCC(C[C@H](C)CC)=NN[C@@H](C)c1ccncc1 819814716 DYUJGOWFPFJZAK-OLZOCXBDSA-N 247.386 3.934 30 20 BHED CC(=NO[C@@H]1CCCCO1)[C@@H]1CCCC[C@@H]1C 834966137 DBXDAPMEMUDADX-IACUBPJLSA-N 239.359 3.732 30 20 BHED C=CC[C@H](Cc1ccccc1)N[C@H]1CC[C@H]1C 840888033 VHUJHSAIMUYUTG-BMFZPTHFSA-N 229.367 3.562 30 20 BHED C=C[C@@H](OC(=O)[C@@H](C)CC)c1ccccc1 851453258 PKGHZXJBYKIZGU-WCQYABFASA-N 218.296 3.503 30 20 BHED C[C@@H](NCCCCC#N)c1coc2ccccc12 924941214 DZGYMOBABCVYLK-GFCCVEGCSA-N 242.322 3.777 30 20 BHED Cc1ccc(NN=CC2(C)CC2)cc1Cl 1116826851 OKGNCBAHUDBEAG-UHFFFAOYSA-N 222.719 3.846 30 20 BHED CC(C)[C@H]1CCCCCN1C[C@@H](C)CCC#N 1308641700 LXPMKXRUQYYLBA-LSDHHAIUSA-N 236.403 3.827 30 20 BHED C=CC(C)(C)CC(=O)N[C@H](C)c1ccc(F)cc1 1518485866 KVFUTWWNBHLDHF-LLVKDONJSA-N 249.329 3.605 30 20 BHED Cc1ccc(SCCCCC#N)cc1 49579594 CALCAZPWKNEDPW-UHFFFAOYSA-N 205.326 3.781 30 20 BHED Cc1ccc(COc2ccc(C#N)cc2)cc1C 49668745 GEPWIDXGWNOVEF-UHFFFAOYSA-N 237.302 3.754 30 20 BHED Cc1ccc(OCCC(C)(C)C#N)cc1C 57713666 KGJIXFATDOTHBA-UHFFFAOYSA-N 217.312 3.622 30 20 BHED C=CCCOCCN[C@H](C)c1cc(C)ccc1C 155647637 XSZGZFABRNLPAD-OAHLLOKOSA-N 247.382 3.547 30 20 BHED Cc1c(F)cccc1NCc1ccc(C#N)s1 157510006 SVVUKMUKITWFKD-UHFFFAOYSA-N 246.310 3.679 30 20 BHED CCCCC[C@H](NCCCC#N)C(C)(C)C 179916571 XVTCHWJHQUCTBB-ZDUSSCGKSA-N 224.392 3.875 30 20 BHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1Cl 274393926 BXPFCRJRTNJABF-QJPTWQEYSA-N 248.757 3.683 30 20 BHED COCC[C@H](C)S[C@@H](C)c1cccc(C#N)c1 276267386 YVCOGVACEXDVQH-RYUDHWBXSA-N 249.379 3.777 30 20 BHED CO[C@H](CSCCCCC#N)c1ccccc1 283386806 NETCRFRSZVVFKP-CQSZACIVSA-N 249.379 3.801 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1ccsc1 308897280 ZXXODTUWUWYWKJ-SRVKXCTJSA-N 223.385 3.999 30 20 BHED CC(C)C[C@H](C)C[C@@H](C)NCC(C)(C)C#N 309599012 JLIGOYWWDMMJKD-QWHCGFSZSA-N 224.392 3.587 30 20 BHED C=CC[C@@H](C)[C@H](C)NC1CCC(F)(F)CC1 309797029 VPTFKPLZTHXYRQ-MNOVXSKESA-N 231.330 3.755 30 20 BHED C=CCSCCN[C@@H]1C[C@@H](C)c2ccccc21 310195689 QZHQNYIVXQVJSB-IUODEOHRSA-N 247.407 3.744 30 20 BHED Cc1cc(C#N)cc(C)c1OCCSC(C)C 310274745 SNNMDPHKMNYJDM-UHFFFAOYSA-N 249.379 3.696 30 20 BHED CC(C)CCCNc1cccc(CC#N)c1 313477945 LXXGFXVPOFHBAF-UHFFFAOYSA-N 216.328 3.601 30 20 BHED CC(C)=CCC[C@@H](C)CCNCCCC#N 336754654 XADZKBDDXUWBIU-CQSZACIVSA-N 222.376 3.652 30 20 BHED C=C(C)CCc1noc([C@@H]2CCC(C)(C)C2)n1 351622761 MJNBDIJWDBIBCB-LLVKDONJSA-N 234.343 3.872 30 20 BHED C=CCCCCCS[C@H](C)COC 388639903 OBRZZMLCEPGGSE-LLVKDONJSA-N 202.363 3.501 30 20 BHED C=C(C)C(C)(C)c1nc(-c2ccc(F)cc2)no1 424220658 IUKRSFKOYMRMFR-UHFFFAOYSA-N 246.285 3.729 30 20 BHED N#CCc1ccc(CSCCC2CC2)cc1 437933882 MGHSJONAJMFZPE-UHFFFAOYSA-N 231.364 3.786 30 20 BHED CCCN(Cc1ccc(C#N)cc1)C[C@H](F)CC 440711584 NWCXMSXGVTWVPV-OAHLLOKOSA-N 248.345 3.518 30 20 BHED Cc1cc(CN[C@@H]2CCC[C@H](C)C2)ccc1C#N 443972603 YDMKJQWEALVQIJ-BLLLJJGKSA-N 242.366 3.535 30 20 BHED Cc1ccc([C@H](C)NCC2(C#N)CCC2)c(C)c1 450669367 QETPDILCCFOZTK-AWEZNQCLSA-N 242.366 3.648 30 20 BHED CC(C)(C#N)CCCN[C@H]1CCC12CCCC2 451465093 ZMZYHUURSXZFTN-ZDUSSCGKSA-N 234.387 3.629 30 20 BHED C=CCC[C@H](C)N1CCC[C@]2(CCSC2)C1 451987572 YQRLPJGMMSOYDP-KBPBESRZSA-N 239.428 3.560 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@H](C)CC(C)(C)C 457186634 DQZQQDJGOBBSTG-RISCZKNCSA-N 225.376 3.530 30 20 BHED C=CCN(CC1CCCCC1)C(=O)CC1CCC1 463845036 QUTQNPYUOWLDEO-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CCCCCNC(=O)Nc1cccc(C)c1C 473498317 NSJJOUZMMWHKNJ-UHFFFAOYSA-N 246.354 3.781 30 20 BHED C=C(C)CCN[C@H](c1ncccc1C)C(C)C 509357451 KCRGNVJUMIGAKV-AWEZNQCLSA-N 232.371 3.643 30 20 BHED C=CCSCCCOc1ccccc1C 522283244 LCNRPJIUFDJNLO-UHFFFAOYSA-N 222.353 3.683 30 20 BHED C=CC[C@H](C)N[C@@H](Cc1ccc(C)cc1)C1CC1 539072403 YFXSFJHZNOOPPZ-YOEHRIQHSA-N 243.394 3.870 30 20 BHED C=C(C)CN(CC)Cc1ccc2occc2c1 568329014 YJNKOPOZELFKKH-UHFFFAOYSA-N 229.323 3.831 30 20 BHED CC(C)(CC#N)CSc1cccc(F)c1C#N 575139150 YFYLYYHFMYMWCL-UHFFFAOYSA-N 248.326 3.729 30 20 BHED C/C=C\c1ccc(Nc2ncccc2C#N)cc1 580489232 XQBNHAWQLXZIKQ-RQOWECAXSA-N 235.290 3.730 30 20 BHED C[C@H](CCC#N)CNc1cccc2ccncc12 602587611 IISDYUGARRCKKX-GFCCVEGCSA-N 239.322 3.587 30 20 BHED CC[C@H](C)[C@@H](C)N(CC1(CC#N)CC1)C1CC1 602772645 MIZHIBTXDLWGJG-QWHCGFSZSA-N 234.387 3.579 30 20 BHED C=CCCN(CC(C)C)c1ccccc1 606897323 OKZLTSPFRDBWSA-UHFFFAOYSA-N 203.329 3.725 30 20 BHED N#Cc1cc(Oc2cc(F)cc(Cl)c2)ccn1 703728429 SFHHORBTGHATBS-UHFFFAOYSA-N 248.644 3.538 30 20 BHED C[C@H](CC(C)(C)C#N)NC[C@H](C)C(C)(C)C 710019160 SIIRIRPMQYIYQA-NWDGAFQWSA-N 224.392 3.587 30 20 BHED c1ccc(CCCNN=C2CCCCC2)cc1 729148341 USZHZCKNIBGYKV-UHFFFAOYSA-N 230.355 3.529 30 20 BHED CC(C)[C@@H]1CCCC1=NNc1ccc(C#N)cc1 747752676 AGLUSDJHJAKBEF-AWEZNQCLSA-N 241.338 3.782 30 20 BHED CCC(CC)NN=Cc1c(C)oc2ccccc12 758109710 JYDPNECKXDGPAN-UHFFFAOYSA-N 244.338 3.853 30 20 BHED CCON=C(C)c1ccc(SC)cc1Cl 763353381 BYEAOLFBABCPJW-UHFFFAOYSA-N 243.759 3.822 30 20 BHED C=CCCC(=O)OCc1ccc(Cl)cc1C 769094565 QZUBFDOFRIDIKG-UHFFFAOYSA-N 238.714 3.658 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C=C(/C)CCC 775925300 JNIGQYAXKLLSRN-YLGBQOPLSA-N 223.360 3.594 30 20 BHED CC(C)CON=C[C@@H](OC(C)C)c1ccccc1 793033897 FNYIWHKYCAUQLR-OAHLLOKOSA-N 249.354 3.811 30 20 BHED CSCCON=CC[C@@H](C)c1ccccc1 794573381 ZFMDYHIYCYERJM-GFCCVEGCSA-N 237.368 3.546 30 20 BHED CCCNc1ccc(C#N)cc1NC/C=C\Cl 795267610 KTSTYWNIMAGAKP-UTCJRWHESA-N 249.745 3.545 30 20 BHED C=CCCCCCCN[C@@H](CC)c1cnn(C)c1 806168248 YYAFHXYGQQAWLK-HNNXBMFYSA-N 249.402 3.597 30 20 BHED C#C[C@H](CC)NC[C@@H](CCC)c1ccccc1 809685719 MVTUBBRYGUOGTR-HZPDHXFCSA-N 229.367 3.572 30 20 BHED CCCNN=C(CC)C12CC3CC(CC(C3)C1)C2 811637526 ARGMYCFWQTZRIX-UHFFFAOYSA-N 248.414 3.968 30 20 BHED C=CCOCCS[C@@H](C)c1cccs1 814750364 KVVOCXGQIDWTRN-JTQLQIEISA-N 228.382 3.745 30 20 BHED CCC(=NNc1cccc(OC)c1)C1CCC1 834934473 SSSNZWXASAWQCU-UHFFFAOYSA-N 232.327 3.673 30 20 BHED C#CCCCCCC=NNc1ccc(C#N)cc1 834942008 VKMIKOFBIPKPPE-UHFFFAOYSA-N 239.322 3.540 30 20 BHED CC[C@@H](C)NN=Cc1ccccc1C(C)C 848409402 VPDABRRQIOBSNF-GFCCVEGCSA-N 218.344 3.532 30 20 BHED N#Cc1ccccc1-c1ccsc1Cl 1347526758 DIKZNKSAAXJWOV-UHFFFAOYSA-N 219.696 3.940 30 20 BHED N#Cc1ccc(COc2ccc(Cl)cc2)cc1 11834283 UVEPMUCHGRRRRM-UHFFFAOYSA-N 243.693 3.791 30 20 BHED C#CCCCOc1cccc2ccccc12 75421105 NBTQFUZIVWIXML-UHFFFAOYSA-N 210.276 3.632 30 20 BHED Cc1cccc(NCCCC(C)(C)C#N)c1 83640681 UOTBYDUTMUTRCZ-UHFFFAOYSA-N 216.328 3.737 30 20 BHED C=CCC[C@@H](N[C@@H](C)CCOC)c1ccccc1 90580595 HJRGXUNIBDTEGF-GOEBONIOSA-N 247.382 3.709 30 20 BHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1CCCC(C)(C)C#N 174866571 CYILJEQVXVKZEV-KFWWJZLASA-N 248.414 3.969 30 20 BHED CCCC[C@H](CC)CNc1nccc(C)c1C#N 233056257 ZYIQTYVOHKLJGN-ZDUSSCGKSA-N 245.370 3.890 30 20 BHED C=CCC[C@@H](NC[C@H](C)SC)c1ccco1 276383786 ABFOVYIAODQNTE-NWDGAFQWSA-N 239.384 3.628 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc(F)cc1F 292259314 FMSDWDXQKSCLHQ-UHFFFAOYSA-N 239.265 3.506 30 20 BHED C=CCCC1(C(=O)Nc2ccccc2F)CC1 353333653 HGGOHUWMIWYHEI-UHFFFAOYSA-N 233.286 3.511 30 20 BHED C=CCCC1(c2nc(-c3ccoc3C)no2)CC1 354049021 JHOBNYYNFPATEC-UHFFFAOYSA-N 244.294 3.636 30 20 BHED C=CCCCCCCN[C@H](C)C(C)(C)OC 380558474 LMCUOJNTIVVNHV-CYBMUJFWSA-N 227.392 3.526 30 20 BHED C=CCCCCN[C@H](C)c1sccc1OC 381509107 VDNPHSHCEGAXOA-LLVKDONJSA-N 239.384 3.764 30 20 BHED C=CCC(C)(C)CN[C@@H]1CCc2cccc(O)c21 386251392 SRQYNAQDHNYENU-CYBMUJFWSA-N 245.366 3.571 30 20 BHED C[C@H](CCSCCC#N)OCc1ccccc1 413011323 IVQSTBSTHDRGBY-CYBMUJFWSA-N 249.379 3.629 30 20 BHED CC[C@H](NCC(C)(C)CCC#N)[C@H]1CC1(C)C 414171192 WYZOSPGVTAQPGE-OLZOCXBDSA-N 236.403 3.731 30 20 BHED CCN(Cc1ccc(C#N)cc1Cl)C1CCC1 439449880 WBAWHRBKHMZEDB-UHFFFAOYSA-N 248.757 3.586 30 20 BHED CC[C@H](F)CN(CC)[C@@H](C)c1ccc(C#N)cc1 440689390 BJKOHAPRMSPBHU-WFASDCNBSA-N 248.345 3.689 30 20 BHED C=CCN(C)Cc1ccc(C(F)(F)F)cc1C 443861351 KJVCBSLTMHPQQR-UHFFFAOYSA-N 243.272 3.632 30 20 BHED C=CCC1(C(=O)N2C[C@@H](C)[C@@H](C)C2)CCCCC1 449999334 MGJZBOBKFHNLLS-OKILXGFUSA-N 249.398 3.627 30 20 BHED C=CCCCC(=O)N[C@H]1CCC[C@@H](C(C)C)C1 479647169 DCMCOLLGFKYIFZ-KGLIPLIRSA-N 237.387 3.674 30 20 BHED C=CCCC1(C(=O)Nc2ccccc2CC)CC1 483068285 BUBDWJHNADRQJM-UHFFFAOYSA-N 243.350 3.934 30 20 BHED C=C(C)CSCCCOc1ccccc1 497346509 CJHKXRXDTSHRPC-UHFFFAOYSA-N 222.353 3.765 30 20 BHED C=CCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)CC 560029257 SEAPCMYWEJUTKG-NWDGAFQWSA-N 225.376 3.530 30 20 BHED C=CCC[C@@H](C)NCC(F)(F)c1ccccc1 574865867 CCTUPRXTHNONMQ-GFCCVEGCSA-N 239.309 3.723 30 20 BHED C=CCC[C@@H](C)NCC(C)(C)C(O)(CC)CC 577747806 AGZBFYBQCUPGGL-CYBMUJFWSA-N 241.419 3.508 30 20 BHED Cc1cccc(F)c1NC(=O)CCCCCC#N 588954833 UNUTVFCRWHKGFL-UHFFFAOYSA-N 248.301 3.547 30 20 BHED C=CCCCN(CCCC)CC(F)(F)F 605150271 XETRGPXZPKHIIY-UHFFFAOYSA-N 223.282 3.617 30 20 BHED CCCC[C@H]1CCC[C@@H]1Nc1cccc(C#N)n1 609892601 NHHKVZHFWLGWCR-JSGCOSHPSA-N 243.354 3.724 30 20 BHED CC(C)(C)OCCCSc1ccccc1C#N 610684633 HMEPHSMRRXIHCX-UHFFFAOYSA-N 249.379 3.856 30 20 BHED C#CCCCOc1ccc(/C=C/C)cc1OC 686889216 BVCDGYXEUANKAC-VMPITWQZSA-N 230.307 3.521 30 20 BHED C=CCC1(NCC=C(Cl)Cl)CCCC1 690759306 YQNOFMKCGVVODU-UHFFFAOYSA-N 234.170 3.784 30 20 BHED CCCCC(CC)=NNc1ccccc1[N+](=O)[O-] 732924229 PSLWNLNUOXKJLA-UHFFFAOYSA-N 249.314 3.963 30 20 BHED C=CCCCOC(=O)C[C@H]1CCCC[C@H]1C 735533804 ZFXHOECTSIGYGP-CHWSQXEVSA-N 224.344 3.712 30 20 BHED C=C(Cl)CN1CCCC[C@H]1[C@H](C)CC 740423836 UDJIAGMVLMOKJU-PWSUYJOCSA-N 215.768 3.640 30 20 BHED CCC[C@@H](C)C(CC)=NOCc1cccnc1 746585908 OYARBFCSAMXSIW-GFCCVEGCSA-N 234.343 3.800 30 20 BHED C/C=C/CON=C(c1ccccc1)C(F)(F)F 751954453 KEXYQINZJUSBSB-HARJTZOHSA-N 243.228 3.546 30 20 BHED C=CCCCCC[C@@H](C)NC[C@H]1CCCCO1 793522445 BOFDKGWNCBFVPD-HUUCEWRRSA-N 239.403 3.670 30 20 BHED C#CCC(C)(C)c1nc([C@H]2CCC[C@@H](C)C2)no1 809344605 UVMUVIQVKAJVHK-NEPJUHHUSA-N 246.354 3.664 30 20 BHED C=CCCCCCCCNC(=O)[C@@H]1CC=CCC1 810767842 YQHSLUCRTKTDNK-OAHLLOKOSA-N 249.398 3.986 30 20 BHED CCCCCCCC(=O)N1CC(C)(CC)C1 812692838 BEVBFCZPUFKQDO-UHFFFAOYSA-N 225.376 3.605 30 20 BHED CC[C@@H]1CCCC1=NNc1ccnc(Cl)c1 853395254 QMDMLOZBHVJFAB-SECBINFHSA-N 237.734 3.713 30 20 BHED C=CC(C)(C)CC(=O)Nc1cc(C)ccc1F 878065321 NSYKGUCDPXCUGH-UHFFFAOYSA-N 235.302 3.675 30 20 BHED CCC[C@H](NCC(C)(C)C#N)c1ccsc1 903101399 HFPFEFAFEAJXEH-LBPRGKRZSA-N 236.384 3.729 30 20 BHED CCCCC(C)=NNc1nncc2ccccc12 915909912 ULELWPYQYPQHEK-UHFFFAOYSA-N 242.326 3.608 30 20 BHED Cc1ccc(C)c(C=NNc2ccc(C#N)cc2)c1 915961146 ALMYCXUEMZUCHD-UHFFFAOYSA-N 249.317 3.621 30 20 BHED C=CC[C@@H](C)[C@H](C)Nc1ccc(OCC#N)cc1 1320094417 LAFZYEPUSPBDAM-OLZOCXBDSA-N 244.338 3.602 30 20 BHED c1ccc2nc(NN=C3CCCC3)ccc2c1 20986000 RTLLHNYYYHFBRL-UHFFFAOYSA-N 225.295 3.577 30 20 BHED CCC[C@H](CC)N[C@@H](C)c1cccc(C#N)c1 50402403 QFIZYMOMYIOTFC-WFASDCNBSA-N 230.355 3.788 30 20 BHED C[C@@H]1CCN(CCCC#N)c2ccccc2S1 78525388 GZIPTQKVKYOHLW-GFCCVEGCSA-N 246.379 3.681 30 20 BHED C[C@@H]1CC[C@H](N[C@@H](CCC#N)c2ccccc2)C1 90665413 WBYPPNOBQWOHCW-KBMXLJTQSA-N 242.366 3.810 30 20 BHED C[C@H](SCC#N)c1ccc(Cl)cc1 130025312 BPMZSMAADZMNMP-QMMMGPOBSA-N 211.717 3.658 30 20 BHED C=CCCCC(=O)N1CCC[C@@](C)(CCC)C1 176107342 GHGAZMGNCUKPLH-OAHLLOKOSA-N 237.387 3.772 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C=C/c1cccs1 182588268 BXCBJKIZFUNGKU-BZYZDCJZSA-N 249.379 3.622 30 20 BHED CC(C)[C@@H](Cc1ccccc1)NCCCCC#N 187156461 KIGRLXZHTRNQLD-MRXNPFEDSA-N 244.382 3.537 30 20 BHED CN(Cc1cccs1)CC(C)(C)CCC#N 270983232 FAMYUIPVDLOELK-UHFFFAOYSA-N 236.384 3.510 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(C)cc1OCC 298593484 POAIKQQXZRXDJI-UHFFFAOYSA-N 247.338 3.544 30 20 BHED C=C(Cl)CN1CCC[C@@H]1Cc1ccc(C)cc1 303603391 NYMSWEXKRXRCBE-OAHLLOKOSA-N 249.785 3.754 30 20 BHED CCC[C@H](NCc1ccc(C#N)s1)C1CCC1 324819566 RRDSOOAPDFJKSQ-AWEZNQCLSA-N 248.395 3.678 30 20 BHED CC(C)c1ccc([C@@H](C)N[C@H](C)CC#N)cc1 340616777 KSQDMOBRYZZHRE-CHWSQXEVSA-N 230.355 3.763 30 20 BHED N#CCCCN1CCCC2(CCCCCC2)C1 362383963 UMHIYNOESPTQIL-UHFFFAOYSA-N 234.387 3.727 30 20 BHED C#CCCCCN[C@@H](C)[C@H](C)CCCC 380290708 BLKSQUIKXBQXIS-KGLIPLIRSA-N 209.377 3.594 30 20 BHED C=CCCC[C@H](C)N[C@@H]1CCc2c(O)cccc21 398191031 RLRHEVHZIGKWAR-SWLSCSKDSA-N 245.366 3.714 30 20 BHED C[C@@H]1CN([C@H](C)c2cccc(C#N)c2)[C@H](C)[C@@H]1C 419335582 HXZOHKSLNYWKKG-AAVRWANBSA-N 242.366 3.596 30 20 BHED C=C[C@H](C)N[C@@H]1CC[C@H](Cc2ccccc2)C1 438199491 LORLXOVACXKJQY-NUEKZKHPSA-N 229.367 3.562 30 20 BHED CCN(CC1(C#N)CCC1)[C@H]1CCCC[C@@H]1C 450809268 KCYORVCYDMLMAY-KBPBESRZSA-N 234.387 3.581 30 20 BHED N#Cc1cccc(OCCCSC2CCC2)c1 450986866 SCSRCDNMAASYPW-UHFFFAOYSA-N 247.363 3.613 30 20 BHED C=CCN1CC[C@H](c2ccccc2)[C@@H](CC)C1 472232071 RSVIGLRSMSXFLF-HOCLYGCPSA-N 229.367 3.688 30 20 BHED C=CCC(C)(C)CNC(=O)c1ccccc1CC 490004567 MOQVQHVWBBIHIA-UHFFFAOYSA-N 245.366 3.581 30 20 BHED Cc1ccc(CCNc2cccc(C#N)c2)cc1 510927938 AKRWFUMFWSCLMM-UHFFFAOYSA-N 236.318 3.521 30 20 BHED CCC(CC)CN(CCC#N)CCC(C)C 513751113 WZPHIJVSWKBELK-UHFFFAOYSA-N 224.392 3.684 30 20 BHED C=C1CCN(C(=O)CCC2CCCCC2)CC1 517799331 CDZYDRCPDSCPKL-UHFFFAOYSA-N 235.371 3.526 30 20 BHED C=CCCN1CCC[C@]1(C)Cc1ccccc1 547347691 GYEMBIRMZWJHIT-MRXNPFEDSA-N 229.367 3.660 30 20 BHED N#Cc1cc(F)c(NC2CC3(CCC3)C2)c(F)c1 593517112 UTOULWMZEOCFEH-UHFFFAOYSA-N 248.276 3.581 30 20 BHED C[C@H](CCC#N)CNC(C)(C)c1cccc(F)c1 602559147 UENBNWNBXAYIPU-GFCCVEGCSA-N 248.345 3.590 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@@H]2C)C1 617777050 HEPHVKHEHUUVDW-ZNMIVQPWSA-N 249.398 3.627 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H](C)C1CCCC1 620859022 VCNKCBWAGZTVSS-LBPRGKRZSA-N 237.387 3.674 30 20 BHED C=C(C)CCOC(=O)c1cc(C)c(CC)s1 744306237 DJINYAIKTQLPCO-UHFFFAOYSA-N 238.352 3.742 30 20 BHED C=CCN(CCCCC(F)(F)F)C(C)C 751963600 KQVHPEFMFXETPH-UHFFFAOYSA-N 223.282 3.615 30 20 BHED CN(CCC(C)(C)C#N)C1CCCCCCC1 762378740 SSACCSAELASSIY-UHFFFAOYSA-N 236.403 3.971 30 20 BHED CC(=NOC1CCCC1)c1c(C)cc(C)cc1O 799883670 LZARIGYUPRAIMK-UHFFFAOYSA-N 247.338 3.692 30 20 BHED C[C@@H]1CCC(=NNc2ccc(Cl)cc2)C1 814683472 BJADGXCKKRMDMY-SECBINFHSA-N 222.719 3.928 30 20 BHED Fc1cccc(NN=C2CCCC23CCCC3)n1 814927808 HSNFKBMDTIGWEZ-UHFFFAOYSA-N 247.317 3.733 30 20 BHED C[C@H]1CCCCC1=NOCc1ccccc1 839419105 IWPBCDPUAQURIJ-LBPRGKRZSA-N 217.312 3.769 30 20 BHED CC(C)(C)CN(CC=C(Cl)Cl)CCC#N 851780520 IDUYFHMNCAKENY-UHFFFAOYSA-N 249.185 3.567 30 20 BHED CCC[C@H](CC)C(=O)Nc1ccc(CC#N)cc1 873829152 MGLTUOLKUMZBTH-ZDUSSCGKSA-N 244.338 3.517 30 20 BHED C=CC(C)(C)CC(=O)N1CCC[C@](C)(CC)C1 879016358 MNNNYGNJYNASKG-HNNXBMFYSA-N 237.387 3.627 30 20 BHED Fc1ccc(NN=C[C@@H]2CC=CCC2)c(F)c1 916248282 XQDGPDYRSVQDSE-SNVBAGLBSA-N 236.265 3.719 30 20 BHED CC(=NNc1cccc(C)c1)c1ccc(O)cc1 916256099 LKYOGOSYWHLWQX-UHFFFAOYSA-N 240.306 3.537 30 20 BHED C=CCN(C(=O)C1CCC(=C)CC1)C(C)(C)C 1331905824 QVFKPSWSTAGXPM-UHFFFAOYSA-N 235.371 3.546 30 20 BHED CC[C@@H]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H](C#N)C1 1560860534 PGJKMFIULROMGG-KLHDSHLOSA-N 248.414 3.875 30 20 BHED C=CCC[C@@H](O)c1ccc(C(C)C)cc1 36467134 GJCNSWGPSNKAMY-CQSZACIVSA-N 204.313 3.810 30 20 BHED C[C@H]1CCC[C@@H](Nc2cccc(OCC#N)c2)C1 37069518 AOWBBAHDUPISAN-QWHCGFSZSA-N 244.338 3.580 30 20 BHED C[C@H](N[C@H](C)C1CCCC1)c1cccc(C#N)c1 70305579 DHUPDXMNSGJRPQ-OLZOCXBDSA-N 242.366 3.788 30 20 BHED C[C@H]1CCCC[C@@H]1N(C)c1cccc(F)c1C#N 82190670 OXQAACZUVUHMEB-FZMZJTMJSA-N 246.329 3.712 30 20 BHED CCCCCCCCCN(C)[C@H](C)CC#N 108878267 UNBCOQZEPNYMEV-CQSZACIVSA-N 224.392 3.971 30 20 BHED CCCCCCCCN[C@@H](CC)CC#N 111865385 JMRPACXAYSTITB-ZDUSSCGKSA-N 210.365 3.629 30 20 BHED C[C@H](C#N)Nc1cc(Cl)cc(C(F)(F)F)c1 130937170 PLJKZFOWZRGGMI-ZCFIWIBFSA-N 248.635 3.683 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 132676182 VNRUGJHIGVUVOU-UWVGGRQHSA-N 241.281 3.513 30 20 BHED C=CCCCC(=O)Nc1ccc(OCCC)cc1 179391153 NUBOJGFYBGRZQD-UHFFFAOYSA-N 247.338 3.770 30 20 BHED CC(C)C[C@@H](NCC#N)c1ccc(Cl)cc1 179716831 AEBAMLDJMQTJSK-CYBMUJFWSA-N 236.746 3.540 30 20 BHED C#CC[C@H](N[C@H](C)c1ccco1)c1ccccc1 271567466 VDFUGRWFKYRREZ-HIFRSBDPSA-N 239.318 3.695 30 20 BHED CC[C@@H](C)[C@H](C)Nc1cc(C)cc(C#N)c1 308109763 UMHUUEDNXXOFPS-NEPJUHHUSA-N 216.328 3.713 30 20 BHED C=C(Cl)CN[C@H]1C[C@@H](C)c2ccccc21 309018243 RZMZDIRAZZOLSL-RNCFNFMXSA-N 221.731 3.577 30 20 BHED C=CCCN[C@H](CCCCOC)c1ccccc1 338544613 RGAUYMRBUYEDHN-MRXNPFEDSA-N 247.382 3.710 30 20 BHED N#CCC1(CNCCC2CCCCCC2)CC1 348388132 NDRUMCQXFMPXHM-UHFFFAOYSA-N 234.387 3.630 30 20 BHED C[C@@H](CCC#N)N1CCC[C@@H](C(C)(C)C)CC1 351267408 GSZXOSLBWNYDGL-UONOGXRCSA-N 236.403 3.827 30 20 BHED C=C(C)CCN[C@@H](CC)c1ccc(F)cc1F 351752093 MRFJJGUEHGDOLQ-AWEZNQCLSA-N 239.309 3.972 30 20 BHED Cc1ccc(CCSCC2(C#N)CCC2)cc1 419592820 ZAYMOKHPFGOJFA-UHFFFAOYSA-N 245.391 3.965 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H]1C[C@]1(CC)C(C)C 424887407 FTUFGXULMSKEFC-SWLSCSKDSA-N 237.387 3.530 30 20 BHED CC1(C#N)CCC(NCCC(C)(C)C2CC2)CC1 449346507 ZYMDJTFCTVEDCH-UHFFFAOYSA-N 248.414 3.875 30 20 BHED C=C(C)CCNC(=O)CCCCC(C)(C)C 452719450 SXHFZEDSDXWASU-UHFFFAOYSA-N 225.376 3.675 30 20 BHED C=C(CC)CNC(=O)c1ccc(C(C)C)s1 456809972 DFUHNDIFQNSJQM-UHFFFAOYSA-N 237.368 3.568 30 20 BHED CC#CCCCC(=O)N[C@@H](C)[C@H]1CCC[C@H](C)C1 457012550 SWZHDDALVYTYPS-KKUMJFAQSA-N 249.398 3.511 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 468003591 JEFYYXWJGJREGF-IIAWOOMASA-N 249.398 3.674 30 20 BHED C=CCC[C@H](C)NCc1ccc([C@@H]2C[C@H]2C)o1 543600137 BVLVQOFEGYDFSO-MBNYWOFBSA-N 233.355 3.847 30 20 BHED CCC[C@H](CCc1ccccc1)NC[C@@H](C)C#N 545192268 VRBFBBXTAAOQAT-GOEBONIOSA-N 244.382 3.537 30 20 BHED C=CCCSCCCOCc1ccccc1 549558825 PSRPLFOAGWIMAP-UHFFFAOYSA-N 236.380 3.903 30 20 BHED CCC(C)(C)c1ccc(NCCC#N)cc1 570039577 ZCPFOUFHDGWDBT-UHFFFAOYSA-N 216.328 3.700 30 20 BHED CC(C)(C#N)CCN1CC[C@H]1c1ccc(F)cc1 595702332 ITWZDKLXUDVSLY-AWEZNQCLSA-N 246.329 3.512 30 20 BHED C[C@@H](c1ccccc1F)N1CCC[C@](C)(C#N)C1 612159528 CHWOHKPVVBDOHC-SWLSCSKDSA-N 246.329 3.512 30 20 BHED CCCC[C@@H]1CCCC1=NNc1cc(C)ncn1 731935656 KPVAMBNGMNHMKD-GFCCVEGCSA-N 246.358 3.543 30 20 BHED CC(=NNC1CCCC1)c1cccc(C)c1C 734299802 UWVDAQCSBBEEIP-UHFFFAOYSA-N 230.355 3.560 30 20 BHED C=CCCCOC(=O)C(C)(C)c1ccc(C)cc1 735533940 NUSGKBCNDCFGOB-UHFFFAOYSA-N 246.350 3.782 30 20 BHED CCCCCCCC(=O)Nc1cccc(C)c1O 748859456 CMYCBIGJUZKKKR-UHFFFAOYSA-N 249.354 4.000 30 20 BHED CCON=C1CCC(c2ccccc2)CC1 767463435 MCVYFXHJNFQECC-UHFFFAOYSA-N 217.312 3.737 30 20 BHED CC[C@H]1C[C@H](C)CCC1=NOCC(F)(F)F 769585244 MQYLWCRTKRYCSD-BDAKNGLRSA-N 237.265 3.768 30 20 BHED C#CC[C@@H](N[C@@H](C)CCCC)c1ccccc1 773115190 MXUFBZGVSHJKLP-GOEBONIOSA-N 229.367 3.919 30 20 BHED C#CCCCOc1cc(C)cc2ccc(C)nc12 790515371 WXRHAIKMUAYMPH-UHFFFAOYSA-N 239.318 3.644 30 20 BHED CCCC[C@@H](CC)COC(=O)[C@](C)(C#N)CC 796837053 MNKCLEWXOBGAHE-OCCSQVGLSA-N 239.359 3.686 30 20 BHED CC(C)C[C@@H](C)COC(=O)CCCCCC#N 805697673 CTDIMVFITDPDHF-CYBMUJFWSA-N 239.359 3.686 30 20 BHED C=CCCCCCCCNC(=O)c1ccco1 810764800 RVJMKFHDXLMKLC-UHFFFAOYSA-N 235.327 3.536 30 20 BHED Clc1sccc1C=NOCCC1CC1 814244665 GEFAAOFATWBZTO-UHFFFAOYSA-N 229.732 3.552 30 20 BHED CCCCCCCCNC(=O)C(C)(C)SC 831164611 LOILDLFFBPYUDU-UHFFFAOYSA-N 245.432 3.605 30 20 BHED C=CCCCCCCCNCc1cc(C)on1 839109225 SJHLNBBQVJKIDB-UHFFFAOYSA-N 236.359 3.599 30 20 BHED Cc1ccsc1C=NOCc1ccccc1 916620775 CARVPCDDIJNSCI-UHFFFAOYSA-N 231.320 3.607 30 20 BHED Fc1cccc(NN=C/C=C/c2ccccc2)c1 920383197 BMKZWMOXCJXSRN-UKNXVJMESA-N 240.281 3.937 30 20 BHED CC(C)CNN=C1CC[C@@H]2CCCC[C@H]2C1 1319757758 CISCYLBWMZIUHV-STQMWFEESA-N 222.376 3.578 30 20 BHED C=C(C)CCC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 1338403417 LENBHPVFWHBFLF-MGPQQGTHSA-N 235.371 3.522 30 20 BHED C[C@]1(C#N)CCCN(CCCC2CCCCC2)C1 1653856035 XODGMOPBXXRSFR-MRXNPFEDSA-N 248.414 3.973 30 20 BHED Cc1ccc(NCc2cccc(C#N)c2)c(C)c1 19877389 YPVIXXNPJZOMFO-UHFFFAOYSA-N 236.318 3.787 30 20 BHED CCCCCCCN[C@H](C)c1ccco1 59313739 LPHWXOPPZKZOPZ-GFCCVEGCSA-N 209.333 3.901 30 20 BHED C=CCCCN[C@H](C)c1ccc(C)s1 70591941 HJLJVVRCWSERSM-LLVKDONJSA-N 209.358 3.673 30 20 BHED C=CCc1ccccc1OCc1csc(C)n1 76422932 BUCSJJNDZURGJQ-UHFFFAOYSA-N 245.347 3.759 30 20 BHED CC1(C)CCC[C@@H]1Nc1cccc(OCC#N)c1 94306096 QJOBBCAYAUVWAU-AWEZNQCLSA-N 244.338 3.580 30 20 BHED C[C@H](c1ccc(Cl)cc1)N(CCC#N)C1CC1 103469365 LDTOALMSEUWETI-LLVKDONJSA-N 248.757 3.779 30 20 BHED Cc1cccc([C@@H]2CCCCCN2CCC#N)c1 117897962 ZWGKBYPAWJXVRX-INIZCTEOSA-N 242.366 3.826 30 20 BHED C=CCC[C@@H](C)Nc1ccc2c(c1)OCCCO2 130594528 FMJGFMXTLHINPA-GFCCVEGCSA-N 247.338 3.615 30 20 BHED N#Cc1ccc(OCCCCC(F)(F)F)cc1 161794790 JWLZXWGGCVPOGB-UHFFFAOYSA-N 243.228 3.670 30 20 BHED C=CC[C@H](C)N[C@H](C)CCc1ccc(OC)cc1 163321537 BPFIWWHFWGDWRS-UONOGXRCSA-N 247.382 3.571 30 20 BHED C=CC[C@@H](C)N[C@@H](CC)c1ccc(N(C)C)cc1 180950553 XKLHOAXFMIYPJJ-CJNGLKHVSA-N 246.398 3.758 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CCC[C@](C)(CC)C1 188466041 NLNMAUQPPRHXFV-GJZGRUSLSA-N 237.387 3.627 30 20 BHED C=CCOc1cccc(CNC(C)(C)CC)c1 236858627 GJQZPLFPZPHNCN-UHFFFAOYSA-N 233.355 3.530 30 20 BHED N#C[C@H]1CC[C@H](Sc2ccc(Cl)cn2)C1 287476250 IKMDWPPFCNYQFV-WPRPVWTQSA-N 238.743 3.519 30 20 BHED N#C[C@H]1CC[C@H](Sc2ccc(F)cc2F)C1 295691690 IGFYSVNIKFHYPG-WPRPVWTQSA-N 239.290 3.749 30 20 BHED C[C@H]1CCCC[C@@]1(C)NCc1ccc(C#N)s1 308714180 NCKNWFBPPRAKOF-SMDDNHRTSA-N 248.395 3.678 30 20 BHED CCC[C@H](NCc1ccc(C#N)cc1)C1CCC1 322263201 HUHJDIMMOSHMJR-INIZCTEOSA-N 242.366 3.617 30 20 BHED C=CCCSc1ccc(C(F)(F)F)cn1 339092901 YQZZPMGEHCQFPF-UHFFFAOYSA-N 233.258 3.769 30 20 BHED CC(C)(C)[C@H]1CCC[C@@H](NCCCC#N)CC1 344332724 ZHZWWBXQCOBHNS-UONOGXRCSA-N 236.403 3.875 30 20 BHED C=CC(C)(C)CNCc1ccc2ncccc2c1 384918280 DSSYZWHQMYJHSX-UHFFFAOYSA-N 240.350 3.537 30 20 BHED C=C(C)C(C)(C)c1nc(-c2cc(C)oc2C)no1 424355053 IYEZVBARNMORPJ-UHFFFAOYSA-N 246.310 3.800 30 20 BHED CC[C@H](NC1CCC(C)(C#N)CC1)C(C)(C)C 449124764 HEZUHJZGKMXAMB-OWYJLGKBSA-N 236.403 3.873 30 20 BHED C=C(C)CN1[C@@H](C)C[C@H](CC(F)(F)F)[C@H]1C 451147218 OFQAFRIOITYANH-HBNTYKKESA-N 235.293 3.614 30 20 BHED C=CCN[C@H](c1ccc(F)c(Cl)c1)C1CC1 451360857 YUDJEYIFLDFTBN-ZDUSSCGKSA-N 239.721 3.706 30 20 BHED C=CCC[C@@H](CC)N[C@H](C)Cc1cccc(O)c1 462113175 RBPLQDDPCBQXEO-UKRRQHHQSA-N 247.382 3.658 30 20 BHED C=CCC[C@H](C)NCCCc1ccccc1F 475568480 GEHBIKPXDWZUOY-ZDUSSCGKSA-N 235.346 3.703 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1cc(C)cc(F)c1 537234927 DOTAZMVLTGCJBU-GFCCVEGCSA-N 249.329 3.609 30 20 BHED C=C(C)CN(CC)C[C@@H](C)c1ccc(OC)cc1 538308556 XIPAOMVXBIADII-CQSZACIVSA-N 247.382 3.697 30 20 BHED CCN(CC#N)Cc1ccc(C2CCCC2)cc1 561782025 KNDOXJUHJGGACY-UHFFFAOYSA-N 242.366 3.690 30 20 BHED CCN(CC1(C)CC1)[C@H](C)c1ccc(C#N)cc1 562364534 IBWIALPNBKWDBZ-CYBMUJFWSA-N 242.366 3.741 30 20 BHED C=CCCCN1CCS[C@@H](c2ccccc2)C1 605154431 QSGLUOYQRPPNDB-OAHLLOKOSA-N 247.407 3.743 30 20 BHED C[C@@H]1CCN(c2cccc(F)c2C#N)C[C@H](C)C1 723804322 USBUHQMCIDMKDZ-VXGBXAGGSA-N 246.329 3.570 30 20 BHED CCCCCCCC(=O)N(C)CC(C)(C)C 726924863 QAWCHWQJEFXSJU-UHFFFAOYSA-N 227.392 3.851 30 20 BHED CCC(CC)NN=C(C)CSC(C)(C)C 734366147 GMVRVVHCXASMKO-UHFFFAOYSA-N 230.421 3.672 30 20 BHED C=CCN(CC1CCCCC1)C(=O)/C(C)=C\C 751379061 OWXFFLBZPIRTSD-ACAGNQJTSA-N 235.371 3.548 30 20 BHED C=C[C@H](CC(=O)OCCC(=C)C)c1ccccc1 759394354 DRLBMRNRJLDERW-CQSZACIVSA-N 244.334 3.856 30 20 BHED C#CCCN(Cc1ccccc1)CC(C)(C)C 760830918 PCZMTTHQKUYJGD-UHFFFAOYSA-N 229.367 3.558 30 20 BHED C#CCCCNc1cc(C)c2ccc(C)cc2n1 763531852 SHMKCHYHGCJLNQ-UHFFFAOYSA-N 238.334 3.677 30 20 BHED CCCC1CCC(C=NOCCOCC)CC1 774421456 DXEBTDNRDIKAOC-UHFFFAOYSA-N 241.375 3.632 30 20 BHED CCCC(CC)=NNc1ncnc2sccc12 776186106 UDPNFVCBYZBUND-UHFFFAOYSA-N 248.355 3.669 30 20 BHED CC[C@@H](C)NN=C(C)c1coc2ccccc12 790188931 IYYIUNDGNPZKFM-SNVBAGLBSA-N 230.311 3.545 30 20 BHED C[C@@H](NN=Cc1ccc(Cl)s1)C(C)(C)C 793116934 VRXPETRWAFDMND-MRVPVSSYSA-N 244.791 3.760 30 20 BHED Cc1cc(C(=O)/C=C/c2ccccc2F)oc1C 799895764 DIDWNLFKBMISQJ-BQYQJAHWSA-N 244.265 3.932 30 20 BHED CCCCCCCN[C@@H]1CCC12CCOCC2 800483163 AXKPOWIDYGIWTR-CQSZACIVSA-N 239.403 3.506 30 20 BHED c1ccc([C@H]2CCC2=NOCCC2CC2)cc1 814245616 ZXNSHAVEUTZSKX-CQSZACIVSA-N 229.323 3.737 30 20 BHED CO[C@](C)(C=NNc1cc(C)cc(C)c1)C1CC1 814753450 NVTJDNBNTDBQPM-OAHLLOKOSA-N 246.354 3.516 30 20 BHED CC(C)c1ccccc1CN(C)CC(C)(C)C#N 848914019 GQWLZTNFEWHLDW-UHFFFAOYSA-N 244.382 3.792 30 20 BHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](C)C(C)(C)C 851210939 ZXZDGDPEFWCDCC-WDEREUQCSA-N 239.359 3.540 30 20 BHED Cc1cccc(NN=Cc2cccc(F)c2)c1 916255799 AFMDBGHNYAYMMD-UHFFFAOYSA-N 228.270 3.580 30 20 BHED C=CCN(C(=O)C[C@@H]1CCCC[C@@H]1C)C(C)C 920476863 ZICNVDMUPFCYNB-KBPBESRZSA-N 237.387 3.626 30 20 BHED CC[C@@H](C#N)Sc1ncc(C(C)C)n1C1CC1 1307305847 PLVXTAUTQRTQSR-NSHDSACASA-N 249.383 3.736 30 20 BHED N#Cc1ccc(OCC2CCCCC2)cc1 2576334 ANAILLNXVHSWDA-UHFFFAOYSA-N 215.296 3.517 30 20 BHED C=C(C)CSc1nc2ccccc2n1CC 34783726 OUNADLWTNKJEPU-UHFFFAOYSA-N 232.352 3.724 30 20 BHED N#Cc1ccc(N2CC[C@H]3CCCC[C@@H]3C2)cc1 35175375 CMZMENKNLVGQLT-HUUCEWRRSA-N 240.350 3.575 30 20 BHED C[C@H]1CCC[C@@H](N(C)Cc2cccc(C#N)c2)C1 42240531 PQTQXLPLLYWNLK-XJKSGUPXSA-N 242.366 3.569 30 20 BHED CCCCCNc1ccc(Cl)cc1C#N 52856771 YVKYEMRXBAYGIF-UHFFFAOYSA-N 222.719 3.814 30 20 BHED CC[C@H]1CCCC[C@H]1NCCCC(C)(C)C#N 87597632 LEVUOKJFUAYFEB-UONOGXRCSA-N 236.403 3.875 30 20 BHED C[C@@H]1CN(CCC(C)(C)C#N)[C@@H]1c1ccccc1 119696189 KVXNZQQVPAQLLY-HIFRSBDPSA-N 242.366 3.619 30 20 BHED CC(=O)c1ccccc1NCCCC(C)(C)C#N 133635593 FFKOMSNNDVQBBD-UHFFFAOYSA-N 244.338 3.631 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@H](CC)C1 150825557 HZSQRKKEZBKCPU-DZGCQCFKSA-N 249.398 3.840 30 20 BHED C=C(C)CNCc1cc(Cl)ccc1Cl 160364608 YHUQNVFGGHIICT-UHFFFAOYSA-N 230.138 3.659 30 20 BHED C[C@H]1[C@@H](c2ccccc2)CCN1CCCCC#N 177544753 HYIRPKWVXJFYMM-HOCLYGCPSA-N 242.366 3.558 30 20 BHED C=CCN(CC=C)CC[C@@H](C)c1ccccc1 217557781 ABIFXNGFMXIYSZ-OAHLLOKOSA-N 229.367 3.854 30 20 BHED Cc1[nH]c2ccccc2c1C=NNc1ccccc1 252609502 HTKPNBPFWRSFGK-UHFFFAOYSA-N 249.317 3.922 30 20 BHED CCCCCCCCN1CCC[C@H]1C[C@H](C)O 252697679 ISORJEMXNGAITQ-GJZGRUSLSA-N 241.419 3.582 30 20 BHED C/C=C\CSCc1ccc(F)cc1C#N 255142951 YPHZPOPDQHZVJS-IHWYPQMZSA-N 221.300 3.507 30 20 BHED C#C[C@H](C)N[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 311184251 BIUHYIXXYGEQCY-YQFWSFKMSA-N 241.378 3.570 30 20 BHED C=CCC(C)(C)CN[C@@H](C(C)C)C1CC1 378848137 BMMXGKJHTFHGNB-ZDUSSCGKSA-N 209.377 3.613 30 20 BHED C=C(Br)CN[C@H](C)[C@@H](C)CCCC 393709846 GMHAZLYLRWTWOW-GXSJLCMTSA-N 248.208 3.699 30 20 BHED CC[C@@H](C)N(C)CCC1(C#N)CCCCC1 411360126 FIWSJOGYCIYMIW-CYBMUJFWSA-N 222.376 3.581 30 20 BHED CCCC[C@H](N[C@@H](C)CCC#N)C1CCC1 411515152 HLWDJZZXSJGVIP-JSGCOSHPSA-N 222.376 3.627 30 20 BHED C=C[C@H]1CCCCN1Cc1ccc(C)c(OC)c1 426560190 OWHSHJRAJHCOPE-HNNXBMFYSA-N 245.366 3.544 30 20 BHED N#Cc1csc(CN(C2CCC2)C2CCC2)c1 430117734 CQRXLFNTRXOHEK-UHFFFAOYSA-N 246.379 3.527 30 20 BHED C=C(C)CN1CC[C@H](c2ccccc2)C[C@H]1C 439318612 PKJKZVKRFUYBMZ-ZBFHGGJFSA-N 229.367 3.831 30 20 BHED C=CCC1(C(=O)N2CCC[C@H]2C)CCCCC1 449999871 PTGBSYAOXHECSR-CYBMUJFWSA-N 235.371 3.524 30 20 BHED C=C(C)C[C@H](C)C(=O)Nc1ccc2ccoc2c1 467906922 XKMSVTXQWIAYJH-NSHDSACASA-N 243.306 3.974 30 20 BHED C=CCN1CCC(c2ccc(Cl)cc2)CC1 481812988 GIKUTDIWQDMGMM-UHFFFAOYSA-N 235.758 3.705 30 20 BHED CCCN(CC#N)Cc1ccc(CC(C)C)cc1 506897420 NSMXQDNTHAPZEB-UHFFFAOYSA-N 244.382 3.621 30 20 BHED C=CCCN[C@@H](c1ccc(F)cc1F)C(C)C 538225729 JTQQHJZPMUAEBG-CQSZACIVSA-N 239.309 3.828 30 20 BHED C=CCC[C@@H](C)NCc1ccc(OCC=C)cc1 560573223 GRKHDWLRCFWGNX-CQSZACIVSA-N 245.366 3.696 30 20 BHED CCC(=O)CCCSc1ccc(C#N)c(C)c1 577750444 FQFDORQNXRHJHL-UHFFFAOYSA-N 247.363 3.718 30 20 BHED N#CCCN(CCCC1CCC1)Cc1ccco1 595331847 FPTSEFRTTGRMOJ-UHFFFAOYSA-N 246.354 3.576 30 20 BHED C=CC[C@H](C)NC(=O)[C@H](CCCC)C(C)C 621872016 GFVRSSQVXYHMRZ-QWHCGFSZSA-N 225.376 3.530 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@H](C)C1CCCC1 644961240 DTDADYHNYBNLHX-LBPRGKRZSA-N 237.387 3.531 30 20 BHED C=CCCCC[C@H](C)NC[C@@H](C)c1ccncc1 648466283 JHIGKXVHORWOMI-CABCVRRESA-N 246.398 3.910 30 20 BHED C=CC[C@H]1CCCC[C@@H]1NCCCCOCC 657847132 UNOZAUSYZGJHFM-GJZGRUSLSA-N 239.403 3.528 30 20 BHED C=C(Cl)CN1CCCC[C@H]1Cc1ccccc1 727222296 JVIOZEGHAMMLEJ-HNNXBMFYSA-N 249.785 3.836 30 20 BHED CC1(C)CCC(=NNc2ccc(F)cn2)CC1 735971612 NSBMILIYQWNBPJ-UHFFFAOYSA-N 235.306 3.589 30 20 BHED CCCCCCCN(C)C1CCC(OC)CC1 740877944 IWUJKDSZISYXBD-UHFFFAOYSA-N 241.419 3.846 30 20 BHED CC(=NNc1ccc(Cl)nc1)c1ccccc1 743450015 KPXNSLZBDFEODC-UHFFFAOYSA-N 245.713 3.571 30 20 BHED CCCCCC[C@@](C)(CCC)C(=O)OCC#N 745488084 FVGABPSFTQXRPV-CQSZACIVSA-N 239.359 3.830 30 20 BHED CCCCCC1=CCCC1=NOCCOCC 774431872 HCWKSVRCNWEUQX-UHFFFAOYSA-N 239.359 3.696 30 20 BHED CC(CC1CCCC1)=NOC1CCCC1 774601543 DAKGUVGITVDTMZ-UHFFFAOYSA-N 209.333 3.902 30 20 BHED Cc1cc2ccccc2nc1NN=CC(C)(C)C 776785960 OSGCMRFLAIGUIH-UHFFFAOYSA-N 241.338 3.987 30 20 BHED C#CCC1(C(=O)Nc2ccccc2)CCCCC1 788149353 QMWMJZHCSCURDM-UHFFFAOYSA-N 241.334 3.599 30 20 BHED CCC(C)=NNCc1cccc(Cl)c1Cl 790181090 MYNXBFCXAICSGO-UHFFFAOYSA-N 245.153 3.869 30 20 BHED C=CCCCCC[C@@H](C)N[C@@]1(C)CCCOC1 793529984 CONCIHGDKXBMKL-CABCVRRESA-N 239.403 3.670 30 20 BHED CSCCON=C(CC(C)C)CC(C)C 794573358 YIVDKKMKRDRKLQ-UHFFFAOYSA-N 231.405 3.814 30 20 BHED CC1(C)CCCCC1=NNc1ncccc1F 794993338 MJNDBZYIISJVDG-UHFFFAOYSA-N 235.306 3.589 30 20 BHED CC[C@H]1CCC1=NNc1ccc(C)cc1 807942691 CZXGDSBXBCZXEY-NSHDSACASA-N 202.301 3.583 30 20 BHED Fc1ccc(C2CC(=NOC3CCC3)C2)cc1 812235205 PDWYRNPDEIBTKQ-UHFFFAOYSA-N 233.286 3.628 30 20 BHED c1ccc([C@H]2CCCC2=NOC2CCC2)cc1 812237399 YCNOWDLUZFSGFY-CQSZACIVSA-N 229.323 3.879 30 20 BHED CCC(=NNc1cccc(OC)c1)c1ccco1 814777918 ZXNKCXHYOCQSDK-UHFFFAOYSA-N 244.294 3.514 30 20 BHED CCCC(=NN[C@@H](C)C(C)(C)C)c1cccnc1 814938343 IXCFVQSWOWVVHY-LBPRGKRZSA-N 247.386 3.610 30 20 BHED C=C[C@H](C)ON=CCCc1ccc(OC)cc1C 844625090 LAIACYKKJQUZLE-ZDUSSCGKSA-N 247.338 3.513 30 20 BHED C=CCCN[C@H](C)c1cc(C)c(OC)cc1C 850502098 KLYLPNOHPWMSFG-CYBMUJFWSA-N 233.355 3.539 30 20 BHED C=CCCNC(=O)c1ccc([C@H](C)CC)cc1 855382499 YTUFWTAXXMQTDZ-GFCCVEGCSA-N 231.339 3.506 30 20 BHED CC(C)(C#N)CCCSCc1ccncc1 901630628 PBUFYJSVULALPD-UHFFFAOYSA-N 234.368 3.645 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1cc(F)ccc1C 929195238 JJHBBLHXDVQGOM-NSHDSACASA-N 235.302 3.675 30 20 BHED C=C(CC(C)C)C(=O)Nc1ccc(C)c(O)c1C 1521255370 NQNASPDSHICFAK-UHFFFAOYSA-N 247.338 3.550 30 20 BHED C=CCN[C@H](C)c1ccccc1C(F)(F)F 19875818 DXHUVPDLTQEVTD-SECBINFHSA-N 229.245 3.542 30 20 BHED C=CCC[C@H](O)c1ccc(C(C)C)cc1 36467135 GJCNSWGPSNKAMY-AWEZNQCLSA-N 204.313 3.810 30 20 BHED CCOc1cc(C#N)ccc1OCC1CCCC1 42274510 DOJLICJLZMKXNC-UHFFFAOYSA-N 245.322 3.526 30 20 BHED CC[C@](C)(C#N)SC(=S)c1ccccc1 60011221 PLCFUVHOKGMNCT-GFCCVEGCSA-N 235.377 3.788 30 20 BHED C[C@H]1CCCCN1c1ccc(C#N)c(Cl)c1 61850659 YUTRZRVAQJXOCV-JTQLQIEISA-N 234.730 3.590 30 20 BHED C[C@@H](Cc1cccs1)Nc1ccc(C#N)cc1 70141012 RGYXBMXOZKKJSI-NSHDSACASA-N 242.347 3.663 30 20 BHED CC(C)(C#N)CCNc1cccc2c1CCCC2 87590889 GUOSANFDPYZXRM-UHFFFAOYSA-N 242.366 3.917 30 20 BHED CCc1ccccc1NCCCC(C)(C)C#N 87597173 QREVVCMFRPTQDN-UHFFFAOYSA-N 230.355 3.991 30 20 BHED C=CCC[C@@H](C)Nc1ccc(Cl)nc1 96034359 IMVYXSGZGGWGEZ-SECBINFHSA-N 210.708 3.502 30 20 BHED CCCCCCCNCc1ccc(C#N)cc1 103036209 PFSOTAJKKGMULZ-UHFFFAOYSA-N 230.355 3.618 30 20 BHED C=CCN(CC=C)C(=O)CCCCCCC 114115270 KOSRJQXAXVDNKO-UHFFFAOYSA-N 223.360 3.548 30 20 BHED C=C(Cl)CN[C@@H]1CCCC[C@H]1C(C)(C)C 167737281 YIKFJNYXIOCATK-VXGBXAGGSA-N 229.795 3.933 30 20 BHED C=CCCCC(=O)Nc1cc(C)ccc1Cl 178321927 ZVYNQHAONQSCKV-UHFFFAOYSA-N 237.730 3.943 30 20 BHED C=CCCCCCSCc1nnc(CC)o1 192548896 KZNITYVQLFFNHH-UHFFFAOYSA-N 240.372 3.612 30 20 BHED N#CCCCOC(=O)CCCC1CCCCC1 194207542 AAANIXYNKXOJFM-UHFFFAOYSA-N 237.343 3.584 30 20 BHED Cc1ccccc1[C@@H](C)NCC(C)(C)CCC#N 229671118 ACRMZDFEEZLDBJ-CQSZACIVSA-N 244.382 3.976 30 20 BHED CC(C)c1ccc(CN(C)CC2(C#N)CC2)cc1 258893678 KIABTYXICABNPY-UHFFFAOYSA-N 242.366 3.546 30 20 BHED C=CCCCC(=O)N1CC=C(C(C)(C)C)CC1 270480738 SIHCYUXFYZEPDN-UHFFFAOYSA-N 235.371 3.548 30 20 BHED C=CC[C@@H](CC)N[C@H](C)CCc1ccco1 281618434 NMUISEVXIMODFU-CHWSQXEVSA-N 221.344 3.545 30 20 BHED C[C@@H]1CC[C@@H](c2ccccc2)N(CCCC#N)C1 285713456 WOXGSPIAYZBYKB-ZBFHGGJFSA-N 242.366 3.763 30 20 BHED C=C(Cl)CN[C@@H](CC)c1ccsc1 294480107 WYTVIZRAATUUJR-JTQLQIEISA-N 215.749 3.541 30 20 BHED C=C(CC)CSCc1cccc(F)c1C#N 427845511 FKUJQOFWHUALIE-UHFFFAOYSA-N 235.327 3.897 30 20 BHED C=CC[C@@H]1N(C(=O)[C@H]2CC2(C)C)CCCC1(C)C 470280966 SMJWXKJZJNTFMA-OLZOCXBDSA-N 249.398 3.626 30 20 BHED C=CCCCC(=O)N[C@@H](C)CC1CCCCC1 487251232 GAGFCZFTHDIFBQ-ZDUSSCGKSA-N 237.387 3.818 30 20 BHED C=C(C)CCN1CCSC[C@@H]1c1ccccc1 509639822 FANKLBBHFWDBMU-OAHLLOKOSA-N 247.407 3.743 30 20 BHED CC#CCN[C@@H](c1ccc(F)cc1)C(C)(C)C 533350226 JUMTUOMNDWQZPS-AWEZNQCLSA-N 233.330 3.526 30 20 BHED N#CCCCCSCc1ncccc1Cl 600640314 JKLHMPMSUNVSFL-UHFFFAOYSA-N 240.759 3.662 30 20 BHED C=C(C)CN(Cc1cccc(OC)c1)CC(C)C 621310934 JAGGSEUADZWJDZ-UHFFFAOYSA-N 247.382 3.729 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccsc1C 634218398 UTSILUBNOLNYEJ-GFCCVEGCSA-N 223.341 3.597 30 20 BHED C=CCCCSCc1ccnc(Cl)c1 747847605 REDULAUCLFYOOS-UHFFFAOYSA-N 227.760 3.934 30 20 BHED CC[C@H]1CCCC(=NNc2cc(C)ccn2)C1 755907162 VUXQHALVANDVNW-LBPRGKRZSA-N 231.343 3.758 30 20 BHED CCCCCC(C)=NOCC(F)(F)F 764836814 ZZAIYVGTIJZISX-UHFFFAOYSA-N 211.227 3.522 30 20 BHED C#CCCCCC(=O)O[C@H](C)c1ccc(F)cc1 773633308 UNFXCIHTMLHRHK-GFCCVEGCSA-N 248.297 3.624 30 20 BHED C=CC[C@H]1N(C[C@@H]2CCC=CO2)CCCC1(C)C 775179159 LJMKTPAGYINBNJ-LSDHHAIUSA-N 249.398 3.746 30 20 BHED CC[C@@H]1CCC[C@@H](C=NOCCSC)C1 794574124 WJJUKBJROZRPCY-VXGBXAGGSA-N 229.389 3.568 30 20 BHED c1ccc2c(c1)CCCC2=NOCCC1CC1 814247210 WMJFSWMLYADPFI-UHFFFAOYSA-N 229.323 3.544 30 20 BHED C#CCC[C@@H](C)OC(=O)[C@H](CC)c1ccccc1 839035387 XRAKIVAXIYSPPX-UKRRQHHQSA-N 244.334 3.525 30 20 BHED C1CC(=C2CCC(=NNC3CCCC3)CC2)C1 853302052 VWFUKJIZYSHLDS-UHFFFAOYSA-N 232.371 3.929 30 20 BHED C[C@@H]1CC[C@@H](C=NNc2ccnc(Cl)c2)C1 853394893 CIAYNSASNCXXAK-NXEZZACHSA-N 237.734 3.569 30 20 BHED CCC(C=NNc1ccc(Cl)cn1)CC 853438030 MXDDOKWFGMKTFZ-UHFFFAOYSA-N 225.723 3.569 30 20 BHED CCC(C=NNc1ccc(F)cc1F)CC 916248083 KAWPGAUNAMBPJV-UHFFFAOYSA-N 226.270 3.799 30 20 BHED CC(C)CNN=C1CCC(C(C)(C)C)CC1 916366160 QIPAEZAXDFVGAP-UHFFFAOYSA-N 224.392 3.824 30 20 BHED C=C(Cl)CSCc1ccccc1OC 917946361 FSCCTRJIFDXABF-UHFFFAOYSA-N 228.744 3.681 30 20 BHED C=CCN(Cc1ccccc1)C(=O)CCC(=C)C 1262674739 KMARSPXUDKTJQR-UHFFFAOYSA-N 243.350 3.558 30 20 BHED CC(C)(C)ON=Cc1ccc(F)cc1Cl 1324558550 NDFLQEXXHYYUGG-UHFFFAOYSA-N 229.682 3.628 30 20 BHED CCC#C[C@@H](C)N[C@@H](CC)c1ccc(F)cc1 1325228317 NMERBYRZYFAMHO-DOMZBBRYSA-N 233.330 3.668 30 20 BHED C=C(Cl)CN1CCC[C@@H]1CCC(C)C 1473272842 LBIDQOFATZQKDR-GFCCVEGCSA-N 215.768 3.640 30 20 BHED Cc1cccc(NCc2ccc(C#N)cc2)c1C 19964296 GJWJMXJHPKDPKU-UHFFFAOYSA-N 236.318 3.787 30 20 BHED C[C@@H](Nc1ccc(CC#N)cc1)c1ccccc1 35019462 YVXVJAVUTVSMAG-CYBMUJFWSA-N 236.318 3.926 30 20 BHED Cc1cc(C)cc(CNc2cccc(C#N)c2)c1 37978628 YDUNWPSJUYWTAQ-UHFFFAOYSA-N 236.318 3.787 30 20 BHED CCCSc1ccc(Cl)cc1C#N 52859937 BREKONLPZFNUBZ-UHFFFAOYSA-N 211.717 3.714 30 20 BHED CC[C@@H]1CCC[C@@H](NCc2cc(C#N)cs2)C1 93492687 IOSZIDDEBFLJDO-DGCLKSJQSA-N 248.395 3.678 30 20 BHED C[C@H](CNCC(C)(C)CCC#N)c1ccccc1 135127439 KTKGPXLNWZDCED-CQSZACIVSA-N 244.382 3.710 30 20 BHED C=C[C@@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 159055492 BIIRAPXKVZUNSC-MRVPVSSYSA-N 240.228 3.563 30 20 BHED C[C@H](NCCCC#N)c1ccc2c(c1)CCCC2 162042734 PASPGAMUQPZQET-ZDUSSCGKSA-N 242.366 3.520 30 20 BHED C#CCCCCC(=O)N1CCC[C@@](C)(CCC)C1 180309258 JLOFLKIGMRAWBP-MRXNPFEDSA-N 249.398 3.609 30 20 BHED CCN(C[C@@H](C)C#N)[C@H](C)c1cccc(C)c1 245768236 JWLIRNQNNXOSSB-UONOGXRCSA-N 230.355 3.538 30 20 BHED C=CCOCCSc1ccnc2ccccc12 338552387 QLWVRTXDERIICA-UHFFFAOYSA-N 245.347 3.530 30 20 BHED C=C(CC)CN1Cc2cccc(Cl)c2C1 347405709 AZSNPIAMZYDXLP-UHFFFAOYSA-N 221.731 3.622 30 20 BHED CCC[C@H]1CCC[C@@H]1NCc1ccc(C#N)s1 421881850 PHPUUYXDGWEQOO-FZMZJTMJSA-N 248.395 3.678 30 20 BHED C=CCN(CC1CCCCC1)C(=O)C1(CC)CC1 427711768 UXMZHWJMCHZFBV-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccc(C#N)c(F)c1 453302741 ARIAEYGODCYJCE-LLVKDONJSA-N 246.329 3.560 30 20 BHED C=CCCC[C@@H](C)NC(=O)C1=CC[C@@H](C)CC1 455996052 OTCTWJHNPMXLMB-CHWSQXEVSA-N 235.371 3.594 30 20 BHED C=C(C)CCc1noc(/C=C2/CC[C@H](C)C2)n1 508596639 UJJOQYRFQYYYRJ-AWPPVZKDSA-N 232.327 3.782 30 20 BHED C=CCN(CC=C)C(=O)[C@@H](CC)CC1CCCC1 513433293 XELNETUSVLQJNC-HNNXBMFYSA-N 249.398 3.794 30 20 BHED C[C@@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)s1 520423902 PLLGGWKDIWGWOK-BXUZGUMPSA-N 248.395 3.630 30 20 BHED CCC[C@@H](CN(C)C[C@@H](C)C#N)c1ccccc1 539409212 VVSYHUSKXGXVMD-HOCLYGCPSA-N 244.382 3.662 30 20 BHED C=CCOCCSCc1cc(C)cc(C)c1 580217647 VQFIUMXWYKCRON-UHFFFAOYSA-N 236.380 3.739 30 20 BHED CC(C)(CC#N)CNCc1ccccc1C1CC1 590970619 AFHNLIGDYUURIA-UHFFFAOYSA-N 242.366 3.593 30 20 BHED CCCN(CC(C)C)[C@@H](C#N)c1ccccc1 595296858 MPMUJOSVYKXSGD-HNNXBMFYSA-N 230.355 3.619 30 20 BHED Cc1ccc([C@@H](C)N(C)CC2(CC#N)CC2)cc1 602764253 VNHVMOOJKCZOJI-CQSZACIVSA-N 242.366 3.682 30 20 BHED C=CCCCN(C)C[C@H](C)c1ccccc1 605150375 PSMOIIWLMIHUFF-AWEZNQCLSA-N 217.356 3.688 30 20 BHED C[C@H](c1ccccc1F)N1CCC[C@@](C)(C#N)C1 612159521 CHWOHKPVVBDOHC-DOMZBBRYSA-N 246.329 3.512 30 20 BHED C#CCCCOC(=O)[C@H](CCC)c1ccccc1 727041756 OEVRPQNTKDKCHC-OAHLLOKOSA-N 244.334 3.527 30 20 BHED C#C[C@@H](CC)NC(=O)[C@@](C)(CC)CCCCC 754394220 SZDXNCAOASHLBF-ZFWWWQNUSA-N 237.387 3.511 30 20 BHED C=C[C@@H](CC(=O)OCC(C)C)c1ccccc1 758910444 YAZYRKVYCIUYCK-ZDUSSCGKSA-N 232.323 3.546 30 20 BHED C#CCCc1noc(CCCCCCCCC)n1 762017405 CQEQZDLNAGYLFA-UHFFFAOYSA-N 248.370 3.929 30 20 BHED C#CCCCSc1cccc2cccnc12 766288362 RSGUAGXRAYUOMQ-UHFFFAOYSA-N 227.332 3.740 30 20 BHED C#CC[C@@H](N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 773115698 OIRVYOWRFUYIIN-LLLHUVSDSA-N 239.362 3.529 30 20 BHED CC[C@@H]1CCCC1=NN[C@@H](C)C(C)(C)C 793112056 ODCGUMOTOKHIHE-WDEREUQCSA-N 210.365 3.577 30 20 BHED C[C@@H](NN=C1CCC[C@@H]1CCF)c1ccccc1 794900682 BBLRSEDSAYIZAD-TZMCWYRMSA-N 248.345 3.853 30 20 BHED COc1ccccc1CON=C1CCCC[C@@H]1C 799119601 OBFBRQPHMFJSFR-LBPRGKRZSA-N 247.338 3.778 30 20 BHED C[C@@H]1CCC(=NN[C@@H]2CCCCC2(C)C)C1 814916470 ATNNIWYFEHHXIZ-DGCLKSJQSA-N 222.376 3.721 30 20 BHED C[C@H](C=NOCC1CC1)C1CCCCC1 814941486 ZVNZDYNQSIZDDA-LLVKDONJSA-N 209.333 3.615 30 20 BHED C=CC[C@H](N[C@H](CC)[C@H]1C[C@H]1C)c1ccncc1 840723187 OBLFORBVVHARBW-BVUBDWEXSA-N 244.382 3.723 30 20 BHED C=C(C)CCNc1ccc(OC)c(SC)c1 841701532 SZARDYAPSDUZBK-UHFFFAOYSA-N 237.368 3.795 30 20 BHED CCCCCCCNC(=O)N(C)C1CCCC1 859246754 IXDJZUWHDBKOEA-UHFFFAOYSA-N 240.391 3.541 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)Cc1cccnc1 897966824 HJKLHVHMUVSAGF-LSDHHAIUSA-N 246.398 3.737 30 20 BHED Clc1ccc(NN=C2CC3(CCCC3)C2)nc1 901265146 SWSCIORQYFWYLZ-UHFFFAOYSA-N 249.745 3.857 30 20 BHED C#CCCCNc1cccc(COC(C)(C)C)c1 901455672 AULBUIIMSKCPLY-UHFFFAOYSA-N 245.366 3.827 30 20 BHED CC(=NNc1ccc(C(F)(F)F)cn1)C(C)C 915917850 QYOLEXXRLUXNLM-UHFFFAOYSA-N 245.248 3.544 30 20 BHED C=C[C@@H](CC)CC(=O)N[C@H](C)c1ccsc1 935851922 YPLHFPOBBVAKJK-MNOVXSKESA-N 237.368 3.528 30 20 BHED C=CCN1C[C@H]2CCCC[C@@]21c1ccccc1 1319808241 LDTOBOHBGBQQHJ-HZPDHXFCSA-N 227.351 3.574 30 20 BHED C[C@@H](CCC1CC1)Nc1ccc(OCC#N)cc1 1338114058 XFCDONLZGKVVPM-LBPRGKRZSA-N 244.338 3.580 30 20 BHED C=C(Cl)CNC(C)(C)c1ccc(CC)cc1 1658001341 SFAJIEHFRVYUSS-UHFFFAOYSA-N 237.774 3.826 30 20 BHED Cc1ccc(F)cc1NCc1ccc(C#N)cc1 19953504 DLQDEHHEUNGQHG-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CCC(CC)CN[C@H](C)c1ccc(C#N)cc1 35256394 QVMDRAQKQDZJGU-GFCCVEGCSA-N 230.355 3.645 30 20 BHED CC(C)CCNc1cccc(Cl)c1C#N 48935313 PAFVNNVSRFKCGW-UHFFFAOYSA-N 222.719 3.670 30 20 BHED C[C@@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)cc1 55386458 BYRQBPZWWONLPS-CJNGLKHVSA-N 242.366 3.569 30 20 BHED CCN(CCC(C)(C)C#N)c1ccccc1F 87595510 BVQOZTGGPKWQDQ-UHFFFAOYSA-N 234.318 3.592 30 20 BHED C#CCCCCC(=O)NCC1CCC(CC)CC1 119672615 GBPZZJFZGLTBNW-UHFFFAOYSA-N 249.398 3.513 30 20 BHED CCCC1(CNCC(C)(C)CCC#N)CCC1 150805608 JLEKYXUVDYOCGV-UHFFFAOYSA-N 236.403 3.876 30 20 BHED C#Cc1cccc(NC(=O)/C=C/C(=C\C)CC)c1 161999448 LPOGEIANUVHMPP-VVWRKKLTSA-N 239.318 3.519 30 20 BHED CC(C)(C)CN(CCC#N)CCCC(C)(C)C#N 174856645 KTWMONVJDQFAAW-UHFFFAOYSA-N 249.402 3.578 30 20 BHED CC(C)[C@@H]1CCCCN1CCCC(C)(C)C#N 174867149 YWMBGXBGOPSAQR-AWEZNQCLSA-N 236.403 3.827 30 20 BHED C=CC[C@@H](C)[C@@H](C)Nc1ccc(CC#N)cc1 184745796 UIHKMQAWVBQVJO-CHWSQXEVSA-N 228.339 3.765 30 20 BHED C=C(C)CN(CC)[C@@H](C)c1ccc(F)cc1F 195732913 LRQDUBYQEFIKCV-NSHDSACASA-N 239.309 3.924 30 20 BHED CC(C)C[C@H](C)Nc1nc(Cl)c(C#N)s1 232635736 JWFMCBUACBPWAB-ZETCQYMHSA-N 243.763 3.515 30 20 BHED O=C(/C=C\c1cccs1)C1CCCCC1 255524679 YTPMCXHMQLKMRM-HJWRWDBZSA-N 220.337 3.911 30 20 BHED N#C[C@@H]1CC[C@@H](Nc2cc(F)cc(Cl)c2)C1 309595013 UGNOENJHCIIRGS-LDYMZIIASA-N 238.693 3.583 30 20 BHED C=CCC[C@H](CCC)NC[C@@H]1CCCCS1 310037737 VKWWZOGVLPSJQT-KBPBESRZSA-N 241.444 3.997 30 20 BHED CC1(C#N)CCC(NC2CCC3(CC2)CC3)CC1 336211422 UYQVVUUJUOPHNK-UHFFFAOYSA-N 246.398 3.771 30 20 BHED C=C(C)CN(C)C(=O)c1cccc(C2CCC2)c1 337007211 AKFNDQBNKBMTKD-UHFFFAOYSA-N 243.350 3.602 30 20 BHED CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(C)cc1 339064164 RUAUFCHUXIJFII-KBMXLJTQSA-N 242.366 3.728 30 20 BHED C=CC[C@@H](C)Nc1nc(C)nc2scc(C)c12 355381191 XLMYYRIZLOOBCN-SECBINFHSA-N 247.367 3.685 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)c1cn(C)nc1C 359352672 ZADITXDGMMKHCQ-STQMWFEESA-N 249.402 3.514 30 20 BHED C=C(C)CCN1CCC[C@H](CC(F)(F)F)C1 420955425 WLUTXBLTJGFCNG-LLVKDONJSA-N 235.293 3.617 30 20 BHED CC(C)(C)[C@H]1CC[C@H]1NCc1ccc(C#N)s1 421873244 HGWXSOQFPGTRTC-QWHCGFSZSA-N 248.395 3.534 30 20 BHED C=C(C)CCN[C@@H](C)CCc1cccc(F)c1 449479124 UHXYTZFGGFUBDT-ZDUSSCGKSA-N 235.346 3.703 30 20 BHED C=CCCC[C@@H](C)N[C@H](CC)c1ccncc1 453185113 XISFZWBERSOTSW-UKRRQHHQSA-N 232.371 3.867 30 20 BHED C=CCCc1noc(C(C)(C)CC(C)C)n1 453222766 AXMKDOFVBOFHOI-UHFFFAOYSA-N 222.332 3.512 30 20 BHED C=CCC(CC=C)C(=O)N[C@@]1(C)CCCC[C@@H]1C 457251185 JQANAQKPRRKCSK-BBRMVZONSA-N 249.398 3.840 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H]1CCC[C@@H](C)CC1 468093008 BBBGLDNDOKWUQU-VNHYZAJKSA-N 237.387 3.674 30 20 BHED CCCC[C@@H](C)Nc1cc(C#N)ccc1OC 468515371 LYCPOQXKWLYHGT-LLVKDONJSA-N 232.327 3.557 30 20 BHED C=CC[C@H]1N(C(=O)[C@H](C)C2CC2)CCCC1(C)C 470273896 OBHKJGXFNFCZDG-TZMCWYRMSA-N 249.398 3.626 30 20 BHED CCc1ccc(/C=C\c2ccncc2C#N)cc1 470283234 CRVVGBFTKBTJBQ-FPLPWBNLSA-N 234.302 3.686 30 20 BHED C=CCCCC(=O)N1CCCC[C@H]1[C@H](C)CC 530885463 NPCKEOAUIWVUCI-KGLIPLIRSA-N 237.387 3.770 30 20 BHED C=CCCC1(c2nc(CC3CCCC3)no2)CC1 551509868 WTQLWGPPEMSBRU-UHFFFAOYSA-N 246.354 3.800 30 20 BHED CCc1ccc(/C=C\c2ccncc2C#N)s1 552001308 VRQNSYDQBUKMIG-ARJAWSKDSA-N 240.331 3.748 30 20 BHED C=CCN(Cc1ccccc1F)[C@@H]1C=CCCC1 590400322 BHVMSFWJNKEUQF-OAHLLOKOSA-N 245.341 3.922 30 20 BHED C=CCC1(NCc2ccsc2)CCCC1 657703238 VMFHTSXWMVMHQA-UHFFFAOYSA-N 221.369 3.727 30 20 BHED C1CCC(ON=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)C1 774597193 PGRHOQQKSOBLIV-CABNGKKXSA-N 233.355 3.758 30 20 BHED CCCCCCCC[C@@H](C)CC(=O)N(C)C 775144814 WXKHRVVOOXBUMD-CYBMUJFWSA-N 227.392 3.851 30 20 BHED C#CCCCCCC(=O)N[C@H]1CCCC[C@@H]1CC 779838804 ICVFUHFZAHEKQF-GJZGRUSLSA-N 249.398 3.655 30 20 BHED C=C(C)COc1cccc(N[C@H]2CC[C@@H]2C)c1 783584410 MIJKZXXFTMUYSF-WFASDCNBSA-N 231.339 3.852 30 20 BHED C=CCCCCCOC(=O)C1(SC)CCC1 787233263 AMYGEBBIAZOGDA-UHFFFAOYSA-N 242.384 3.562 30 20 BHED C=CCN(C(=O)[C@@H](CC)c1ccccc1)C(C)C 791128436 ZFLNZSCZWPFNOU-HNNXBMFYSA-N 245.366 3.603 30 20 BHED C=CC[C@@H](NC[C@@H](C)CC(C)C)c1ccncc1 809620919 RAUKBZKHQCSTQW-GOEBONIOSA-N 246.398 3.971 30 20 BHED C[C@H]1CCC(=NOCCC2CC2)C[C@H]1C 814246044 RWOUHPJZJSTWHR-WDEREUQCSA-N 209.333 3.615 30 20 BHED CC(C)OCCON=C1CCCC12CCCC2 814936919 OAELXMNQNMUJCC-UHFFFAOYSA-N 239.359 3.528 30 20 BHED C#CCCCCNCc1ccc(C2CCC2)cc1 815130250 YLQMNZGNIKYNPX-UHFFFAOYSA-N 241.378 3.847 30 20 BHED N#C[C@H]1CCC[C@@H](OC(=O)C2=CCCCCC2)C1 839059304 OJSRIURPDPTQNL-GXTWGEPZSA-N 247.338 3.502 30 20 BHED C=C[C@](C)(CC)C(=O)O[C@H](CC)c1ccncc1 839446853 ZNEMSAAGHKTRJQ-UKRRQHHQSA-N 247.338 3.678 30 20 BHED CCC1(C(=O)OCC2(CC#N)CC2)CCCCC1 849756949 LLPZQENAEBLJDJ-UHFFFAOYSA-N 249.354 3.584 30 20 BHED COc1cccc([C@@H](C)S[C@@H](C#N)C2CC2)c1 1613623572 WMRZHGOTINGCMX-YGRLFVJLSA-N 247.363 3.792 30 20 BHED C=C(Cl)CN[C@H](C)CCCC(C)C 42222304 ZOTWASGXIMEPOP-LLVKDONJSA-N 203.757 3.543 30 20 BHED C=CCOc1ccc(CN[C@@H]2CC[C@@H](C)C2)cc1 131184998 HWXPACKKPOVXEE-UKRRQHHQSA-N 245.366 3.530 30 20 BHED C=C(Cl)CN[C@H](c1ccccc1)C(F)(F)F 167900168 GVFNPUBTMYWDFT-SNVBAGLBSA-N 249.663 3.632 30 20 BHED Cc1cc(C)cc(N[C@@H]2CCC[C@H](C#N)C2)c1 185723491 ONJILIXKIQSHMT-UONOGXRCSA-N 228.339 3.798 30 20 BHED CCCCCCCC(=O)N(C)Cc1ccco1 192560272 NYEJARVGWLIETQ-UHFFFAOYSA-N 237.343 3.599 30 20 BHED CCCCCCC[C@@H](C)N[C@@H]1CCSC1 231883865 KYWPNNYSTZPTBF-CHWSQXEVSA-N 229.433 3.831 30 20 BHED CC(C)(C#N)CCN[C@@H](c1ccccc1)C1CC1 272012424 KQWSZKSDXPGRLV-HNNXBMFYSA-N 242.366 3.667 30 20 BHED CC[C@H](C#N)S[C@H](C)c1ccccc1OC 275644331 JOXJHGZAJIJLFJ-GHMZBOCLSA-N 235.352 3.792 30 20 BHED C=CCC(C)(C)C(=O)Nc1cc(C)ccc1F 292364312 ZXULVCDMFVDAAK-UHFFFAOYSA-N 235.302 3.675 30 20 BHED C=CC[C@H](CC)NCc1cc(C)cc(C)c1 309457223 MWMCHQNFVXGINS-HNNXBMFYSA-N 217.356 3.748 30 20 BHED N#CC1(CSCc2cc(F)ccc2F)CC1 344457904 JGPBDAUFAWCCPM-UHFFFAOYSA-N 239.290 3.502 30 20 BHED CC[C@@]1(C)CCCN(Cc2cccc(C#N)c2)C1 353690455 RNPHTCIGDRYLPA-INIZCTEOSA-N 242.366 3.570 30 20 BHED N#CCCCSCc1ccc(Cl)s1 379360252 AWVMPVVWPQKCOT-UHFFFAOYSA-N 231.773 3.938 30 20 BHED CCON=C(CC)c1ccc(Cl)s1 381856141 TVVSQJRHQMBGHI-UHFFFAOYSA-N 217.721 3.552 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccc(OC)cc1 393758442 JPGKODZIINTFDK-JSGCOSHPSA-N 233.355 3.701 30 20 BHED CC(C)(C)[C@@H]1CC[C@@H]1NCc1ccc(C#N)s1 421873242 HGWXSOQFPGTRTC-OLZOCXBDSA-N 248.395 3.534 30 20 BHED CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 424129649 SJFNTXFMHPPIAK-GLQYFDAESA-N 246.329 3.559 30 20 BHED C=CCCCC[C@H](C)NC[C@@H](C)C(F)(F)F 449259387 TYEZTLLOCGQDJP-MNOVXSKESA-N 237.309 3.909 30 20 BHED C=CC(C)(C)C(=O)N[C@H](C)c1cccc(C)c1C 449877679 SCHMNMGJLJYFFU-CYBMUJFWSA-N 245.366 3.693 30 20 BHED C=CCC1(C(=O)N2CCC(C)=C(C)C2)CCCC1 451386740 XQUDBYATMWPXSV-UHFFFAOYSA-N 247.382 3.692 30 20 BHED CCCC1CCC(N[C@H]2CC[C@@H](C#N)C2)CC1 471605877 KYAQCNMHFUIOKS-JYVUQVBGSA-N 234.387 3.627 30 20 BHED C=C(C)CN(C)C(=O)C[C@@H]1CCCCC1(C)C 479240498 GWZGEBSKPIQRLM-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C=CCCCC(=O)N[C@@H]1CCC(C)(C)C[C@H]1C 482272990 VKSBEZMQHPGZHR-CHWSQXEVSA-N 237.387 3.674 30 20 BHED C=CCC(C)(C)CNC(=O)C[C@H](CC)C(C)C 490068552 SLRPDLWDKYAWFB-ZDUSSCGKSA-N 239.403 3.777 30 20 BHED C=C(C)CCN(Cc1ccccc1)C1CC1 509686683 RQIYUTXCELEGAB-UHFFFAOYSA-N 215.340 3.617 30 20 BHED C=C[C@](C)(CC)c1nc(Cc2cccs2)no1 525954786 XZTVSACXKVQBPY-CYBMUJFWSA-N 248.351 3.576 30 20 BHED C=CCCN(C)Cc1ccsc1C(F)(F)F 529555260 JRFRBKRYCAQSKE-UHFFFAOYSA-N 249.301 3.775 30 20 BHED CCCCCCCCn1ccc2occc2c1=O 737400015 WSWHDHCFCTTXFV-UHFFFAOYSA-N 247.338 3.955 30 20 BHED C=CCCON=C(C)CCc1ccc(OC)cc1 740872323 NYLRWXMAYOKTLI-UHFFFAOYSA-N 247.338 3.596 30 20 BHED C=C(C)COC(=O)CC[C@@H](C)c1ccccc1 750109790 XNWGWYHBNYGFMX-CYBMUJFWSA-N 232.323 3.690 30 20 BHED CC(CC1CCCC1)=NNc1cccc(C#N)c1 752723765 OJBVJFRKFAOSTF-UHFFFAOYSA-N 241.338 3.926 30 20 BHED C=C(C)CCOC(=O)[C@H](c1ccccc1)C1CC1 765949565 LCWSJHNZVGZTHQ-OAHLLOKOSA-N 244.334 3.690 30 20 BHED C[C@@H]1CC(C)(C)CC1=NOCCC(F)(F)F 766030054 RTRKGGWZJBRABR-MRVPVSSYSA-N 237.265 3.768 30 20 BHED Cc1ccnc(NN=C2CC[C@@H](C)[C@H](C)C2)c1 767385374 NABWVAHOYFASTP-VXGBXAGGSA-N 231.343 3.614 30 20 BHED C=C(CC)CN(CCc1ccccc1)C1CC1 773413415 GDNHUHGHKJDTIU-UHFFFAOYSA-N 229.367 3.660 30 20 BHED CCOCCON=C1CCC[C@H]1CCC(C)C 774421514 GNHKVQJUUJNMFA-ZDUSSCGKSA-N 241.375 3.632 30 20 BHED C=CC[C@@H](C(=O)O[C@H](C)C1CC1)c1ccccc1 777760307 QSCCTJTYDUUGEQ-IUODEOHRSA-N 244.334 3.688 30 20 BHED CCCCCCCN[C@@]1(C)CCO[C@H]1C1CC1 784588806 PRVKXKXWOMOZHK-GJZGRUSLSA-N 239.403 3.504 30 20 BHED C[C@@H](NN=C/C=C/c1ccccc1)C(C)(C)C 793113879 HPBHRVKWNLDKDK-RTJZFLFLSA-N 230.355 3.710 30 20 BHED CSCCON=CC1CCC(C(C)C)CC1 794939067 VAYZSMSTSSLBTF-UHFFFAOYSA-N 243.416 3.814 30 20 BHED CC(C)CCC(=NO[C@@H]1CCCCO1)C1CC1 802712770 USUSUSFVCWPUMT-CQSZACIVSA-N 239.359 3.732 30 20 BHED C[C@H]1SCCC1=NNc1ccccc1Cl 814690962 HETNQVFHWXIFLV-MRVPVSSYSA-N 240.759 3.633 30 20 BHED C=CCCCC(=O)OCC[C@@]1(C)C[C@]1(F)Cl 822060822 XFQKCBYRSKJCNF-NWDGAFQWSA-N 248.725 3.591 30 20 BHED CC(=NNc1ncccc1F)[C@@H]1CCCC[C@@H]1C 834978093 VQZTYPWTVFOMPH-CMPLNLGQSA-N 249.333 3.835 30 20 BHED CSc1ccc(C(C)=NOC(C)C)cc1 835004661 UOVIDNHSOUFDLL-UHFFFAOYSA-N 223.341 3.558 30 20 BHED C=C[C@@H](C)ON=C[C@@H](C)c1ccc(F)cc1 844620912 ASNREUKKUCIHGH-GHMZBOCLSA-N 221.275 3.506 30 20 BHED C=CC[C@H]1CCCCC1=NOC1CCC1 853347735 PABALOSKBQPMGC-NSHDSACASA-N 207.317 3.678 30 20 BHED Clc1ccc(NN=C2CCC23CCCC3)nc1 853437722 SIYGLAYHMFULJX-UHFFFAOYSA-N 249.745 3.857 30 20 BHED C=C(C)CN(CC)CCCCC1(C#N)CCC1 929218560 QTTMACRUTYHWSF-UHFFFAOYSA-N 234.387 3.749 30 20 BHED C=CCCCCCN[C@@H](c1ccncc1)C1CC1 934696765 GZYUIRLSGAKRHG-MRXNPFEDSA-N 244.382 3.869 30 20 BHED C/C(=C/Cl)CSCc1ccc(C#N)s1 1329100137 PIOJREAPIYWDKE-YWEYNIOJSA-N 243.784 3.996 30 20 BHED C=C1CC(c2noc([C@@H]3CC34CCCC4)n2)C1 1334421190 GDTGQADOCGMRFT-NSHDSACASA-N 230.311 3.551 30 20 BHED C#CCCCCN[C@@H](CCC)CCC=C 119147474 PRBSKTYKJXFDMY-AWEZNQCLSA-N 207.361 3.514 30 20 BHED C=CCC[C@H](C)Nc1cccc(NC(=O)OC)c1 130613437 ODLMMMXYKRLKCX-NSHDSACASA-N 248.326 3.632 30 20 BHED CCC[C@@H](C(=O)Nc1ccccc1C#N)C(C)C 133830965 CFXOSVNFDCGLCD-CYBMUJFWSA-N 244.338 3.569 30 20 BHED C=C(Cl)CN[C@@H]1CC[C@@H](C)c2ccccc21 161745684 BDGXJPAYENSEFH-QMTHXVAHSA-N 235.758 3.967 30 20 BHED CC(C)(C)OCCSCc1cccc(C#N)c1 170992241 SCTBFKPAMCKMCP-UHFFFAOYSA-N 249.379 3.607 30 20 BHED C=C(Cl)C[S@@](=O)[C@H](CC)c1ccccc1 172845784 RKNAZIDJNSIFTN-IUODEOHRSA-N 242.771 3.639 30 20 BHED Cc1cccc(NCc2ccc(C#N)c(F)c2)c1 190329082 NQUNAXIHNYDJRN-UHFFFAOYSA-N 240.281 3.618 30 20 BHED COc1cccc(C(=O)/C=C\c2cccs2)c1 210424286 RMKCDRXUDRCHJV-FPLPWBNLSA-N 244.315 3.653 30 20 BHED C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2CCCC[C@H]21 248801575 GBLPUGONMGBPMW-SQWLQELKSA-N 249.398 3.770 30 20 BHED CC[C@@H](C#N)Sc1ccc(F)c(Cl)c1 275559593 FMMOFHLHAYHHIU-ZETCQYMHSA-N 229.707 3.873 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccc(C#N)cc1 280944653 FYPJXQJRARORJM-WFASDCNBSA-N 228.339 3.564 30 20 BHED C=CCCCC(=O)Oc1ccccc1SC 297844132 WXJUEVKVGBAKFR-UHFFFAOYSA-N 236.336 3.670 30 20 BHED C=C(CC)CSCCc1cccs1 308199882 UMXVXAROLOGRBS-UHFFFAOYSA-N 212.383 3.990 30 20 BHED CC(C)(C#N)CCCCN1CCC2(CCC2)CC1 308741653 FSEYTIFSDISRCG-UHFFFAOYSA-N 248.414 3.973 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H](CC)CC(F)(F)F 309716587 TYOQXHSPXUGWKJ-DCAQKATOSA-N 237.309 3.908 30 20 BHED N#CC1(CN2CCCC3(CCCCCC3)C2)CC1 343313443 ICJCDFYNTJJRGN-UHFFFAOYSA-N 246.398 3.727 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccc(C)s1 385458241 KJQMKHNEMGZPFJ-NSHDSACASA-N 223.385 3.919 30 20 BHED C=CCCCNC(C)(C)COCc1ccccc1 390045902 BRHPKTUNAYKHLI-UHFFFAOYSA-N 247.382 3.538 30 20 BHED C#CCCCCNC(=O)C[C@H](C)CCC=C(C)C 400950832 PUGPUIMUQMIGGO-OAHLLOKOSA-N 249.398 3.679 30 20 BHED C[C@@H]1CN([C@H](C)c2cccc(C#N)c2)[C@H](C)[C@H]1C 419335583 HXZOHKSLNYWKKG-XJFOESAGSA-N 242.366 3.596 30 20 BHED C=CC[C@@H](C(=O)NC[C@@H](C)CC)c1ccccc1 421596176 OYNJKDQVEOUKGE-DZGCQCFKSA-N 245.366 3.509 30 20 BHED CC[C@H](F)CSCc1ccc(CC#N)cc1 442553984 IEMZRGGHLKRLMN-ZDUSSCGKSA-N 237.343 3.734 30 20 BHED C=CC(C)(C)CN[C@H](C)c1cc(C)c(C)o1 453303869 DLQBFNHVURKNDL-LLVKDONJSA-N 221.344 3.759 30 20 BHED CC[C@@]1(C(C)C)C[C@H]1NC1CCC(C)(C#N)CC1 453427150 ONPMIJKXLHVUAA-KNIAUWFNSA-N 248.414 3.873 30 20 BHED C=CC[C@H](CC)NC(=O)Nc1ccccc1CC 466409791 OEPGNXDDAWTMPH-ZDUSSCGKSA-N 246.354 3.725 30 20 BHED C=CCCCC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 479517610 PNLGHAVHBDJDDL-QLFBSQMISA-N 249.398 3.818 30 20 BHED C=C(C)CNC(=O)[C@@H](CC)C1CCC(C)CC1 490035631 POCDKLMXSWDPBD-RUXDESIVSA-N 237.387 3.531 30 20 BHED C=C(C)CN(CC)Cc1ccc([C@H]2C[C@H]2C)o1 505877850 XGPAWPNLSOATPZ-OCCSQVGLSA-N 233.355 3.801 30 20 BHED C=CCS[C@@H](C)c1c(F)cccc1F 522283052 UTSNBTKONPHAEY-QMMMGPOBSA-N 214.280 3.945 30 20 BHED CC(C)CC[C@H]1CCCN1CCC(C)(C)C#N 539587398 CESFJBLZEBJLHM-CQSZACIVSA-N 236.403 3.827 30 20 BHED C=C(CC)CN(C)[C@H](C)Cc1ccccc1OC 540205303 YMEZSMUTFFYKIA-CQSZACIVSA-N 247.382 3.524 30 20 BHED O=C(/C=C\c1sccc1Cl)c1ccncc1 588601322 IWPKXMVVMGLNHC-UPHRSURJSA-N 249.722 3.693 30 20 BHED CC(C)c1cccc(CNC[C@H](C)CCC#N)c1 602618613 ZYCMABQCRZYQHL-CQSZACIVSA-N 244.382 3.839 30 20 BHED C=C(C)CN(Cc1ccc(Cl)cc1)C1CC1 613464474 AEPBTYKIBBYSFF-UHFFFAOYSA-N 235.758 3.881 30 20 BHED Cc1ccc(C)c(NN=Cc2nc(C)cs2)c1 755565548 PSZANYHXMFCCPD-UHFFFAOYSA-N 245.351 3.514 30 20 BHED C[C@@H]1CC(C)(C)CCC1=NO[C@@H]1CCCCO1 755822533 VKDMTGRLCSYAMM-DGCLKSJQSA-N 239.359 3.732 30 20 BHED CCC(C=NNCc1cccc(Cl)c1)CC 756827322 NGDKOHNXHUQHGF-UHFFFAOYSA-N 238.762 3.852 30 20 BHED C#CCCCCCc1nc(C(CC)CC)no1 762037960 VBPHWLVQKPVOPR-UHFFFAOYSA-N 234.343 3.709 30 20 BHED C[C@H](NN=C/C=C/c1ccccc1)C(C)(C)C 793113873 HPBHRVKWNLDKDK-BKQBGPKDSA-N 230.355 3.710 30 20 BHED CC#CC(=O)Nc1ccc(-c2ccccc2)cc1C 801131365 CNMNPGZZQKGKDM-UHFFFAOYSA-N 249.313 3.624 30 20 BHED C=CCCCCCCCCNc1nnc(C)o1 808089657 PNIDWXKNJTWGJI-UHFFFAOYSA-N 237.347 3.707 30 20 BHED Fc1ccc(CC=NOC2CCC2)c(Cl)c1 812235554 XAGOSLLNLWQQLJ-UHFFFAOYSA-N 241.693 3.577 30 20 BHED CC(=NOCCC1CC1)c1c(F)cccc1F 814246280 YMWFYLCRQYVPTR-UHFFFAOYSA-N 239.265 3.506 30 20 BHED CCOC1CC(=NNc2c(C)cccc2CC)C1 814923709 XNYBHMBNYKDRLS-UHFFFAOYSA-N 246.354 3.524 30 20 BHED C=CC[C@@H](C)NC(=O)c1ccccc1C(C)C 828040350 KGJKUFLKGRRIIZ-GFCCVEGCSA-N 231.339 3.504 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1cccnc1Cl 834884440 ZJAWSVHBYOEVEG-JTQLQIEISA-N 238.762 3.598 30 20 BHED C#Cc1ccc(NCCCCOC(C)(C)C)cc1 901517421 PJXRMTSTVGHUCN-UHFFFAOYSA-N 245.366 3.675 30 20 BHED N#C[C@@H](S[C@H]1CCOc2ccccc21)C1CC1 1559385685 SBRMSPHGPPHQRI-UONOGXRCSA-N 245.347 3.546 30 20 BHED N#Cc1cccc(C#N)c1SCC1CCCC1 1643307159 NMXZVTXFJXIWKA-UHFFFAOYSA-N 242.347 3.712 30 20 BHED CN(CCC(C)(C)C)Cc1cccc(F)c1C#N 1658427689 OXOFEAHMGMUVPI-UHFFFAOYSA-N 248.345 3.565 30 20 BHED CC(C)(C)CNc1cccc(Cl)c1C#N 48805791 XLWPMZXDUHUKTB-UHFFFAOYSA-N 222.719 3.670 30 20 BHED C=CCOc1ccc(CN[C@@H]2CCC[C@H]2C)cc1 71205956 MEXMVCVPXIYWOU-CZUORRHYSA-N 245.366 3.530 30 20 BHED C=CCCC[C@@H](C)N(C)CCC(F)(F)F 91553646 KXCGQRVLSVIOBF-SNVBAGLBSA-N 223.282 3.615 30 20 BHED C=C(C)CNCc1ccc(-c2ccc(F)cc2)o1 122519689 SUCAJWKNUXCHAX-UHFFFAOYSA-N 245.297 3.751 30 20 BHED N#Cc1cccc(NCCCCC(F)(F)F)c1 151513160 UPWCRQLSUZSXDY-UHFFFAOYSA-N 242.244 3.703 30 20 BHED C=CCCNc1ccc(C(F)(F)F)cc1C#N 164876186 LILFEMHOPXLILY-UHFFFAOYSA-N 240.228 3.565 30 20 BHED C=CCCCC(=O)N[C@@H](C)CCC(C)(C)C 175720769 BCSKMQUMDMRSBC-LBPRGKRZSA-N 225.376 3.674 30 20 BHED C=CCC1(C(=O)NCCC2=CCCCC2)CCC1 190688415 UFCPBLPVNGCYMT-UHFFFAOYSA-N 247.382 3.740 30 20 BHED C=CCSCCN[C@@H](CC)Cc1ccccc1 221937016 SFCMIMXUTKFRRR-HNNXBMFYSA-N 249.423 3.517 30 20 BHED CCCCCCC[C@H](C)N[C@H]1CCO[C@@H](C)C1 231888174 QPQWXVHMMBWGSZ-KKUMJFAQSA-N 241.419 3.893 30 20 BHED C[C@@H]1CCCC[C@H]1Nc1nccc(C#N)c1Cl 235236262 YNTHDXAURWDJAM-MWLCHTKSSA-N 249.745 3.597 30 20 BHED C=CC(C)(C)C(=O)Nc1cccc(SC)c1 294334971 KXIUOPBOOFFXKC-UHFFFAOYSA-N 235.352 3.559 30 20 BHED C=CCCCC(=O)N[C@@H](C)CCC=C(C)C 295657680 QIXZAOSAMYIFRH-ZDUSSCGKSA-N 223.360 3.594 30 20 BHED C=C(CC)CSCc1cn2c(C)cccc2n1 360984415 KGDSODFYDPJJJC-UHFFFAOYSA-N 246.379 3.842 30 20 BHED C=C(CC)CN[C@H](C)c1cccc(F)c1F 390518591 DPSIAFXOWOZQIH-SNVBAGLBSA-N 225.282 3.582 30 20 BHED CCCCCCCNCc1cc(C#N)cs1 390821602 ZBXFARJJPGLILQ-UHFFFAOYSA-N 236.384 3.680 30 20 BHED CC1CCC(CN2CCC(CCC#N)CC2)CC1 399299652 SXSJUIZDWBHNQH-UHFFFAOYSA-N 248.414 3.828 30 20 BHED CC[C@@H](CS[C@H](C)c1ccc(C#N)cc1)OC 419416435 HDGBKGNELCOJLE-RISCZKNCSA-N 249.379 3.777 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccc(OCC)cc1 424523227 IQTGYGMLHBQOOD-UHFFFAOYSA-N 247.338 3.626 30 20 BHED C=CCc1ccc(OC[C@H](F)CC)c(OC)c1 441829965 YVOLAPRNBBCVNC-GFCCVEGCSA-N 238.302 3.551 30 20 BHED CC(C)[C@H]1CCC[C@@H]1Nc1cccc(CC#N)c1 449703309 UJUOBNUEAYKNOA-CVEARBPZSA-N 242.366 3.989 30 20 BHED C=CCCc1noc(/C=C(/C)C(C)(C)C)n1 453227813 GCVDMGQZPHXWLC-KTKRTIGZSA-N 220.316 3.638 30 20 BHED C=C(C)CCN[C@H](C)c1sc(CC)nc1C 453307283 BVNAKRBWUBMHAX-SNVBAGLBSA-N 238.400 3.631 30 20 BHED C=C(CC)CN[C@H](C)c1nccc2ccccc12 453340220 CCRDDMXNDUWLAL-CYBMUJFWSA-N 240.350 3.852 30 20 BHED C=CCC[C@@H](CC)NC[C@H]1CCOC(C)(C)C1 453404026 DJISLMHSURRYSC-UONOGXRCSA-N 239.403 3.526 30 20 BHED CC(C)=CCC[C@@H](C)CCN(C)C[C@@H](C)C#N 482078677 SSSWNBXEQGWVNG-CABCVRRESA-N 236.403 3.850 30 20 BHED C=C[C@H]1CCCCN1C(=O)C[C@H](CC)C(C)C 488870825 PAACSVLTAFFMJR-KBPBESRZSA-N 237.387 3.626 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C[C@@H](C)C(C)(C)C 488879402 LWXPNEMZUPNYGU-CHWSQXEVSA-N 237.387 3.626 30 20 BHED C=CCCN1C[C@@H](C)C[C@H]1c1cccc(F)c1 525783847 FWRDROAFVBYSOG-WFASDCNBSA-N 233.330 3.785 30 20 BHED CCC(C)(C)[C@H](C)NCC(C)(C)CCC#N 562572090 UAJZOGMZUUXJBI-LBPRGKRZSA-N 224.392 3.731 30 20 BHED C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC1(C)C 595910958 VAEXFEWZAGWUBG-DOMZBBRYSA-N 242.366 3.597 30 20 BHED C=CCCSc1nnc(-c2cccc(C)c2)o1 606756018 NFVWZDYQAHUTAY-UHFFFAOYSA-N 246.335 3.713 30 20 BHED Cc1cc(C)cc(OCCSCCCC#N)c1 616294472 CETLQHDKOZXNBM-UHFFFAOYSA-N 249.379 3.719 30 20 BHED C=CC[C@H]1CCCN(C(=O)[C@H](C)CCCC)C1 617778522 ILSQLLYZAJXMOP-KGLIPLIRSA-N 237.387 3.627 30 20 BHED C=CCCCOC(=O)CCc1ccc(CC)cc1 735528180 LUNKBRICIQWSOS-UHFFFAOYSA-N 246.350 3.691 30 20 BHED CC[C@H](C)C[C@H](C)/N=C/c1cccc(OC)c1O 743043018 PKQWOANQEAXMJO-ATARQRRYSA-N 249.354 3.644 30 20 BHED CCCCCCCS[C@H]1CCCOC1 779829642 YONURTXKBRMCJS-LBPRGKRZSA-N 216.390 3.869 30 20 BHED C=CCCCCCN(C)C(=O)/C(C)=C(\C)CC 779959394 VBHVXAPDMCLILM-BUHFOSPRSA-N 237.387 3.938 30 20 BHED C[C@H]1C[C@@H]1c1ccc(C=NNCCC(C)(C)C)o1 782906876 FXIUMWWSBCWOGU-AAEUAGOBSA-N 248.370 3.763 30 20 BHED C[C@H](NN=C1CCC12CCC2)c1ccccc1 799877347 WRJFZFSIQFHFKV-LBPRGKRZSA-N 228.339 3.657 30 20 BHED Cc1cccc([C@H](C)NCC(C)(C)C#N)c1C 809578373 LWAHKABOUCZQGM-ZDUSSCGKSA-N 230.355 3.504 30 20 BHED C=CCCC(CCC)=NNc1nc(C)cc(C)n1 814681232 CXFQAZBCPXWNMF-UHFFFAOYSA-N 246.358 3.628 30 20 BHED C=CCON=CC1CCC(C(F)(F)F)CC1 835013450 SDEWKHSQGBLDTH-UHFFFAOYSA-N 235.249 3.544 30 20 BHED C[C@@H]1CCCCCC1=NOCC(F)(F)F 844587091 XVVHISNAWAHIOF-MRVPVSSYSA-N 223.238 3.522 30 20 BHED C=C[C@H](C)ON=C1CC(c2ccccc2)C1 844625052 KRUWIXMIBCYKSA-AMGKYWFPSA-N 215.296 3.511 30 20 BHED Clc1cc(NN=CC2CCCCC2)ccn1 853394457 PQHCKICFVRDUDH-UHFFFAOYSA-N 237.734 3.713 30 20 BHED O=C(/C=C/c1ccncc1Cl)C1CCCCC1 863181599 OBHGWLLKXOPMND-VOTSOKGWSA-N 249.741 3.898 30 20 BHED C#CCCN[C@@H](c1ccc(CC)cc1)C(C)C 920415711 CVTZNFIDJLNAKV-MRXNPFEDSA-N 229.367 3.559 30 20 BHED C=CCCN[C@@H](C)c1cc(-c2ccccc2)no1 926684646 HODWEOZOSGLAGO-LBPRGKRZSA-N 242.322 3.568 30 20 BHED C=CC[C@@H]1CCCN(Cc2cccn2C2CC2)C1 1118654121 HDSOWJVLTVZYTK-CQSZACIVSA-N 244.382 3.611 30 20 BHED C=C(C)CCC(=O)N(CCCC)c1ccccn1 1121134567 LUXZFDYQHJACAU-UHFFFAOYSA-N 246.354 3.571 30 20 BHED CC[C@@H]1C[C@H]1CSc1nc(C)cc(C)c1C#N 1164515422 RPBHIWPRMRSDQJ-NEPJUHHUSA-N 246.379 3.708 30 20 BHED C=C(C)CCC(=O)N(C(CC)CC)C1CC1 1346786587 ASDPVPAGBWKXHM-UHFFFAOYSA-N 223.360 3.522 30 20 BHED C[C@H](c1cccc(C#N)c1)N(C)c1ccsc1 1646537280 XNHSUXYVUHYMPU-LLVKDONJSA-N 242.347 3.817 30 20 BHED C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 1665827597 XXACDUWUWUNUDD-TYNCELHUSA-N 246.329 3.559 30 20 BHED C[C@H](N[C@@H](C)c1ccco1)c1ccc(C#N)cc1 35739027 VVANBVZTMUTVGG-RYUDHWBXSA-N 240.306 3.563 30 20 BHED C=CCCCN[C@@H](C)c1ccc(C)cc1 70592042 BSCVALYTOYUNKH-ZDUSSCGKSA-N 203.329 3.612 30 20 BHED CCOc1ccccc1NCCCC(C)(C)C#N 87596969 PAYWPSZKAPQPIV-UHFFFAOYSA-N 246.354 3.827 30 20 BHED C=CCn1nc(C)nc1-c1ccc2ccccc2c1 118177383 NBFQXPQOVHWIOX-UHFFFAOYSA-N 249.317 3.593 30 20 BHED C=C[C@@H](C)NCc1ccc(OCCCC)cc1 123189078 GQVUYSLUEZZQQD-CYBMUJFWSA-N 233.355 3.530 30 20 BHED C=CCC[C@@H](CC)N[C@@H](C)c1cccc(O)c1 126628911 NJIABVMPFDXRAG-GXTWGEPZSA-N 233.355 3.788 30 20 BHED N#Cc1ccc(/C=C/C(=O)c2ccsc2)s1 176407662 MGQCLKYDPUWLBP-ONEGZZNKSA-N 245.328 3.577 30 20 BHED CC(C)(C#N)CCCSCC(=O)C(C)(C)C 176950927 VUJFQQKIQGOODY-UHFFFAOYSA-N 241.400 3.665 30 20 BHED CC#CCCCC(=O)N[C@H]1CCC[C@H](C(C)C)C1 185474911 WCUQXXCFELPMEX-GJZGRUSLSA-N 249.398 3.511 30 20 BHED C=C(C)C[C@H](C)C(=O)N1CCC[C@H]2CCCC[C@H]21 185949100 GQPIGJBJZPVROV-RRFJBIMHSA-N 249.398 3.770 30 20 BHED CC[C@H](CN(CC)CCCC#N)c1ccccc1 186623308 HEQDQUFLSDJBQW-OAHLLOKOSA-N 244.382 3.806 30 20 BHED C=CCC1(C(=O)N[C@H](C)C[C@@H](C)CC)CCC1 188287913 BCVYRGFUVFORGY-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=CCCC[C@@H](C)NC(=O)C[C@H]1C=CCCC1 188980853 VOJNLFYWRBKIET-KGLIPLIRSA-N 235.371 3.594 30 20 BHED N#Cc1cccc(NCc2sccc2Cl)c1 192760215 HFZROBWQHMXYCA-UHFFFAOYSA-N 248.738 3.885 30 20 BHED C[C@H](NCC(C)(C)CCC#N)c1ccccc1 229667476 HFMTWGHWPGCGNF-ZDUSSCGKSA-N 230.355 3.667 30 20 BHED Cc1cc(C)cc(/C=C\C(=O)c2cccnc2)c1 255545111 YUJDXHABTBXZET-WAYWQWQTSA-N 237.302 3.595 30 20 BHED CCCN(Cc1ccccc1)[C@@H](C)CCC#N 297783216 GUODATCJURIONN-AWEZNQCLSA-N 230.355 3.591 30 20 BHED C=CC[C@H](CC)NCc1ccc(Cl)cc1 308959354 RLDIHSOXPCTRFX-ZDUSSCGKSA-N 223.747 3.784 30 20 BHED CCCN(Cc1cc(C#N)ccc1F)CC(C)C 310871881 SSDCQAMBSITYQU-UHFFFAOYSA-N 248.345 3.565 30 20 BHED CCC[C@H](N[C@H](CC)CC#N)C1CCCC1 313395396 HMXWPHFRGBNJMR-KGLIPLIRSA-N 222.376 3.627 30 20 BHED C=CC[C@H](C)[C@@H](C)Nc1cc(C2CC2)ccn1 353620755 JERSEFBJTFUGAC-NWDGAFQWSA-N 230.355 3.972 30 20 BHED CCCC[C@@H](C)N(C)Cc1ccc(CC#N)cc1 399069518 NKNMRCDLKMCLSD-CQSZACIVSA-N 244.382 3.763 30 20 BHED C=CCC[C@H](CCC)NC[C@@H]1C[C@H](C)O[C@H]1C 414280481 LKFFOWVDESICEG-AJNGGQMLSA-N 239.403 3.524 30 20 BHED C=CCC[C@@H](CC)N[C@@H]1C[C@H]1C1CCC1 424337725 ZWIZRSHEQQRFBA-HZSPNIEDSA-N 207.361 3.509 30 20 BHED Cc1ccc([C@H](NCCCC#N)C2CCC2)cc1 427883760 FWYJHCSLVBJORL-MRXNPFEDSA-N 242.366 3.730 30 20 BHED C[C@@H](F)CCN[C@@H](CCCC#N)c1ccccc1 433023043 ZAQHHOGVMYIFEN-HIFRSBDPSA-N 248.345 3.759 30 20 BHED CC1(C)CCCCN(Cc2cccc(C#N)c2)C1 438369903 FOMZCOJKYQSJNW-UHFFFAOYSA-N 242.366 3.570 30 20 BHED C=C(CC)CN(CC)Cc1c[nH]c2ccccc12 442894466 ZNMHXZKXJGGBPG-UHFFFAOYSA-N 242.366 3.956 30 20 BHED C=C(C)C[C@@H](C)C(=O)Nc1cc(C)c(O)cc1C 444664541 RDDJDALIVQWXOD-GFCCVEGCSA-N 247.338 3.550 30 20 BHED CC#CCCN(Cc1ccccc1)[C@H](C)C1CC1 462314235 JCLZSUNJHYQAGV-OAHLLOKOSA-N 241.378 3.701 30 20 BHED C=CCCCC(=O)N[C@@H]1CCC[C@H](C(C)C)C1 479647170 DCMCOLLGFKYIFZ-UONOGXRCSA-N 237.387 3.674 30 20 BHED C=C[C@@H]1CCCCN1Cc1ccc(F)cc1F 489460789 HNYPJBHWPVKONY-CYBMUJFWSA-N 237.293 3.505 30 20 BHED C=CCN(CC1CCCCC1)C(=O)C[C@@H]1C[C@H]1C 521946010 RWSCPQBOUABSDK-HIFRSBDPSA-N 249.398 3.627 30 20 BHED C=C(CC)CN(C)Cc1cccc(OC(C)C)c1 538046070 VYBGNYYSDQDWKY-UHFFFAOYSA-N 247.382 3.872 30 20 BHED C=CCOCCSCCCc1ccccc1 555004328 DIBBHRZVJZUZRZ-UHFFFAOYSA-N 236.380 3.555 30 20 BHED C=CCCCCn1c(C)cc(=O)c2sccc21 570426001 OXBCILRWMKBOEB-UHFFFAOYSA-N 247.363 3.728 30 20 BHED C=CCCCCSC[C@H]1CCCOC1 579333779 FESJOIYUAHTCDM-LBPRGKRZSA-N 214.374 3.503 30 20 BHED CC(C)=CCCSCC1(CC#N)CC1 596416211 CCGCDIOFGILWRA-UHFFFAOYSA-N 209.358 3.770 30 20 BHED C=CCCCN1CCc2ccccc2[C@H]1CC 605150974 NQJTXDQJJGDIGZ-MRXNPFEDSA-N 229.367 3.962 30 20 BHED C#C[C@H](NCc1ccc(SC)cc1)C(C)(C)C 702226732 DWGYGKHGKARQOZ-AWEZNQCLSA-N 247.407 3.546 30 20 BHED CCCCC(COC)=NN[C@H](C)c1ccccc1 737430265 NPBIATRJNCYQGE-CYBMUJFWSA-N 248.370 3.530 30 20 BHED C=CC[C@@H](N[C@H](C)c1ccco1)c1ccncc1 766017824 DWWSGSPFCPEDSY-TZMCWYRMSA-N 242.322 3.643 30 20 BHED C=CCCCC(=O)O[C@@H](C)c1ccc(C)cc1 770657694 IGVZYWCEZGHICN-ZDUSSCGKSA-N 232.323 3.956 30 20 BHED CC[C@H](C)NN=C(C)[C@H](C)c1ccc(OC)cc1 790188295 ILFIWCAVSBQWDV-RYUDHWBXSA-N 248.370 3.563 30 20 BHED CC[C@H](C)CON=C[C@H]1CCOc2ccccc21 793158476 HGHKWLAEBQVJLA-QWHCGFSZSA-N 247.338 3.601 30 20 BHED CC[C@H]1CCC[C@H](C=NNc2cccc(F)n2)C1 795009537 CPJQQSLUMSWYMM-RYUDHWBXSA-N 249.333 3.835 30 20 BHED CCCCCCCCCNC1CCC(O)CC1 796674841 KSBXMCWHCWMWFG-UHFFFAOYSA-N 241.419 3.630 30 20 BHED Fc1ccccc1NN=Cc1ccc(Cl)cc1 812459306 WTDMSBZPLTULPJ-UHFFFAOYSA-N 248.688 3.925 30 20 BHED c1cncc(CON=C2CCCC23CCCC3)c1 814884181 PUZSHNJUFLACJU-UHFFFAOYSA-N 244.338 3.699 30 20 BHED CCC(C=NOC/C=C\Cl)(CC)CC 814934841 ZTAZQDAICYIEMV-LHMJIRRDSA-N 217.740 3.958 30 20 BHED CC[C@H]1CCCCC1=NN[C@@H](C)c1ccncc1 819816863 QRZPQQQPAILRPU-STQMWFEESA-N 245.370 3.688 30 20 BHED CCC[C@H](C=NNc1ccccc1Cl)OC 834917121 YRSLRVFVXYRYFR-SNVBAGLBSA-N 240.734 3.553 30 20 BHED CC(=NNc1cccc(F)n1)[C@@H]1CCCC[C@@H]1C 834979485 JQOZPRINVKKDSP-CMPLNLGQSA-N 249.333 3.835 30 20 BHED C#CCCCCC(=O)N[C@H]1CCC[C@@H]1C(C)(C)C 839891917 PRLVBORTNSNRCB-KBPBESRZSA-N 249.398 3.511 30 20 BHED C=CCC1(C(=O)O[C@@H](C)CC(C)(C)C#N)CCC1 851206768 PFYSJADGEGFYJB-LBPRGKRZSA-N 249.354 3.604 30 20 BHED C[C@H]1CCCCN1N=Cc1ccc2occc2c1 853381913 OOTFLEXPCRJIDM-LBPRGKRZSA-N 242.322 3.641 30 20 BHED N#Cc1ccc(NN=C2CC3(CCCC3)C2)cc1 901167952 XHTFGBUCACIOBL-UHFFFAOYSA-N 239.322 3.680 30 20 BHED C=CCN(C(=O)Nc1cc(C)cc(C)c1)C(C)C 916706178 KUQQOVBFFGFEBE-UHFFFAOYSA-N 246.354 3.732 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1c(C)noc1C 926483989 WNXMHAGZMGCZNW-SNVBAGLBSA-N 236.359 3.544 30 20 BHED CC(Cc1ccccc1Cl)=NOCC1CC1 1326194381 VINJWNPMDKGXCP-UHFFFAOYSA-N 237.730 3.685 30 20 BHED CCCCCCCCC(=O)N[C@H](C)CC 106167024 FLQUXICPKRDSNW-GFCCVEGCSA-N 213.365 3.652 30 20 BHED N#Cc1cc(F)c(NC[C@H]2CC=CCC2)c(F)c1 109809620 KTPSTBIXXMYZOK-JTQLQIEISA-N 248.276 3.605 30 20 BHED CCCCCCCCCN(C)C(=O)CC 119613672 VVHVQCLESFXBPX-UHFFFAOYSA-N 213.365 3.605 30 20 BHED CCCN(Cc1ccc(C#N)cc1)C1CCCC1 123242071 NPWJVANIPZZOFG-UHFFFAOYSA-N 242.366 3.713 30 20 BHED CC[C@@H](C#N)SC1=Nc2ccccc2CS1 127339670 PQDYJRNXIBQQHW-JTQLQIEISA-N 248.376 3.956 30 20 BHED CCC(CC)CN[C@@H](C)c1cccc(C#N)c1 164518459 BYNRSMPETATLKH-LBPRGKRZSA-N 230.355 3.645 30 20 BHED C=C(C)CN(C)C(=O)[C@@H](CCC)c1ccccc1 180407080 ISNZQDJHYQNWAM-HNNXBMFYSA-N 245.366 3.605 30 20 BHED C[C@@H](CCC#N)SCC1CCCCC1 189471995 PQUKJQJYEUGYFZ-NSHDSACASA-N 211.374 3.992 30 20 BHED CC(C)CC[S@@](=O)CCCCC(C)(C)C#N 232576452 NKOBEJHMQVTCDH-INIZCTEOSA-N 243.416 3.501 30 20 BHED CC(=NNc1ccccc1)c1ccc(C)s1 255964164 BEGNBOXRGDGBSH-UHFFFAOYSA-N 230.336 3.893 30 20 BHED C=CC[C@H](C)[C@@H](C)NCCCc1cccc(C)n1 287287470 DCOYBHDMFYDDIW-DZGCQCFKSA-N 246.398 3.513 30 20 BHED C=CCC[C@@H](CC)NCCCc1ncccc1C 295139516 ZOMALYKQFAPRNI-OAHLLOKOSA-N 246.398 3.657 30 20 BHED CCN(CCC#N)[C@@H](C)c1ccccc1Cl 299447977 YMBOIWOHRITGBW-NSHDSACASA-N 236.746 3.637 30 20 BHED CC#CCSc1ccc(F)c(Cl)c1 306219705 TTYLVFLJQBASKS-UHFFFAOYSA-N 214.692 3.595 30 20 BHED CC[C@H]1C[C@H](C)CN1CCCCC(C)(C)C#N 310044591 DAFAFSNIKJJRND-KBPBESRZSA-N 236.403 3.827 30 20 BHED C=C(CC)CN[C@H]1CCSc2ccccc21 313485551 SAJFKRAFHYMWLN-ZDUSSCGKSA-N 233.380 3.779 30 20 BHED OC(=Nc1cccc2ocnc12)C1CCCC1 330095866 WIAYDJBGXKKYRO-UHFFFAOYSA-N 230.267 3.606 30 20 BHED CC1(C#N)CCC(Nc2ccc(F)cc2)CC1 336215805 RKVCEPZOVKCSIJ-UHFFFAOYSA-N 232.302 3.710 30 20 BHED N#Cc1ccc(SCCC(F)(F)F)c(F)c1 342544970 KLULMWNPRRKGRD-UHFFFAOYSA-N 249.232 3.742 30 20 BHED CCN(CC1CCC1)[C@H](C)c1cccc(C#N)c1 361480775 FWHJOVCHCDMGPV-CYBMUJFWSA-N 242.366 3.741 30 20 BHED CCCCC[C@@H](N[C@H](C#N)CC)C(C)(C)C 381592182 JXGZZEQRSXGSAX-QWHCGFSZSA-N 224.392 3.873 30 20 BHED C=CC[C@H](CC)NC(=O)C1C[C@H](C)C[C@@H](C)C1 410138009 ZOBQLXCZUYBRDQ-BZPMIXESSA-N 237.387 3.530 30 20 BHED CC(C)[C@H]1CCC[C@@H]1NCc1ccc(C#N)s1 421352615 RCMXCVNIYMPWHR-KGLIPLIRSA-N 248.395 3.534 30 20 BHED C=C(C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 448550897 MMMQLZNMFOBSIK-RBSFLKMASA-N 249.398 3.675 30 20 BHED C=CCC1(C(=O)N2CC[C@H](C)[C@@H](C)C2)CCCC1 450326683 ZBVWKKJEMCSADW-KBPBESRZSA-N 249.398 3.627 30 20 BHED C[C@H](NCCC(C)(C)C#N)[C@@H]1CCC[C@@H](C)C1 452055403 BOQGTEKMCSFBNT-HZSPNIEDSA-N 236.403 3.731 30 20 BHED C=CCCCCCN(C)C(=O)[C@H]1C[C@@]1(C)CC 466243880 GVULKLSIPUJGOG-UKRRQHHQSA-N 237.387 3.627 30 20 BHED C=CCC(CC=C)C(=O)Nc1ccc(C)c(F)c1 467732535 HZYKOGYNBKMYIJ-UHFFFAOYSA-N 247.313 3.841 30 20 BHED C=C[C@](C)(CC)C(=O)NCC(CC)(CC)CC 467971177 STHZLLIHNLABGW-CQSZACIVSA-N 239.403 3.921 30 20 BHED C=C(C)CCN(CCC)Cc1ccc(C#N)cc1 509328610 SVCSCSXFTCZAQL-UHFFFAOYSA-N 242.366 3.736 30 20 BHED C=C(CC)CN(C)[C@@H]1CCc2ccccc21 537992852 DZOLNEWYLUMXGR-OAHLLOKOSA-N 215.340 3.572 30 20 BHED CCC[C@@H](CC)N[C@@H](C)c1ccc(C#N)c(F)c1 538506852 FUPIUIWNXYMOBN-SMDDNHRTSA-N 248.345 3.927 30 20 BHED C=C(C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C 569438502 STSWAUNJOIUXCQ-LBPRGKRZSA-N 248.326 3.520 30 20 BHED C=CCC[C@H](CC)NCc1noc2ccccc12 576836352 BJMVMWMBVISWMS-LBPRGKRZSA-N 244.338 3.662 30 20 BHED C[C@H](c1cccc(C#N)c1)N(C)CC1CC=CC1 595549730 LRASWSJXFQPVIH-CYBMUJFWSA-N 240.350 3.517 30 20 BHED C=CCCCCN1CCC(C(F)(F)F)CC1 649330163 RGHAIKGYPKLJPQ-UHFFFAOYSA-N 235.293 3.617 30 20 BHED CCCCCCCN1CCC(OC(C)C)CC1 740878100 VNNKDWIWXDZFBG-UHFFFAOYSA-N 241.419 3.846 30 20 BHED C=C(C)CSCc1cccc2nsnc12 764648322 GMBIYRRZGWBJAC-UHFFFAOYSA-N 236.365 3.501 30 20 BHED CCCCCCCC(C)=NOC[C@H]1CCOC1 788031960 KUTXMUMKDIRHKT-AWEZNQCLSA-N 241.375 3.776 30 20 BHED CC[C@H](C)CON=CCCc1ccccc1 793159665 QGTOHTJJFNJGHR-ZDUSSCGKSA-N 219.328 3.668 30 20 BHED Clc1cscc1C=NNCC1CCCC1 808005674 IIPJLNQBFONNCU-UHFFFAOYSA-N 242.775 3.515 30 20 BHED C#Cc1ccc(CNc2cc(C)cc(C)c2)cc1 809424998 PLRFRXKJHIFJLT-UHFFFAOYSA-N 235.330 3.897 30 20 BHED C1CC(ON=C2CC[C@H]3CCCC[C@@H]3C2)C1 812235420 GJURHGASBGPMDH-VXGBXAGGSA-N 221.344 3.902 30 20 BHED CCC(CC)NN=C1CS[C@H](C(C)(C)C)C1 814851568 PGPTUUOBHLJCPM-LBPRGKRZSA-N 242.432 3.672 30 20 BHED C=C(C)CCN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21 834881931 GJCHHQZTEAPGME-ZYHUDNBSSA-N 249.329 3.635 30 20 BHED C=CC(C)(C)C(=O)O[C@@H](C)c1ccc(F)cc1 835106904 WBKUXHAMRJFOGC-JTQLQIEISA-N 236.286 3.642 30 20 BHED C=CC(C)(C)COC(=O)[C@H](C)c1ccsc1 835724087 FOVFVYOQPLWKNO-SNVBAGLBSA-N 238.352 3.607 30 20 BHED C#CCCCCCC(=O)N[C@]1(C)CCCC[C@H]1C 837255039 TUVRDZTVTIAFNN-GDBMZVCRSA-N 249.398 3.655 30 20 BHED CCCON=C1CC(c2ccc(C)cc2)C1 842556633 KZJOFXNGTHEPSF-UHFFFAOYSA-N 217.312 3.655 30 20 BHED C=CC(C)(C)CCOC(=O)CCCCSC 851299411 KPVNZTRFVFHHNS-UHFFFAOYSA-N 244.400 3.665 30 20 BHED CCCNN=Cc1ccccc1-c1ccccc1 917549128 XDSYLJSTLDDQTK-UHFFFAOYSA-N 238.334 3.687 30 20 BHED N#Cc1ccc(CN2CCCCCCCC2)s1 1232845292 SQHSWZIOJQOOAV-UHFFFAOYSA-N 248.395 3.776 30 20 BHED C=C(Cl)CN1c2ccccc2SC[C@@H]1C 1307549289 YZDAYSJWXACQFS-JTQLQIEISA-N 239.771 3.740 30 20 BHED C=CCN(Cc1ccccc1)C(=O)[C@H](C)CCC 45934982 YZKXBMWZORWTIA-CQSZACIVSA-N 245.366 3.637 30 20 BHED CCCCCCC[C@H](C)NCCc1ccccn1 59089845 VBXKGHAETJVFTI-HNNXBMFYSA-N 248.414 3.963 30 20 BHED CN(CC(C)(C)C)c1ccc(C#N)c(Cl)c1 61851179 LUKPBBFGTOSSNK-UHFFFAOYSA-N 236.746 3.694 30 20 BHED C=C(Cl)CN[C@H](C)C1CCCCCC1 88169262 LJVGIVIYCUCNPH-LLVKDONJSA-N 215.768 3.687 30 20 BHED N#Cc1ccc(OCC2CCCCC2)cc1F 88452132 KUPSUACLDFHLKT-UHFFFAOYSA-N 233.286 3.656 30 20 BHED C=C(CNCc1ccc(F)cc1)c1ccccc1 110057647 LPGXUHOPAXJGAQ-UHFFFAOYSA-N 241.309 3.629 30 20 BHED Cc1ccc(S[C@H](C#N)C2CCCCC2)nc1 115187314 TVVNISOYSQPIAH-CYBMUJFWSA-N 246.379 3.955 30 20 BHED C=CC[C@@H](C)NC(=O)c1cc2ccccc2s1 116850848 OERROBLHRBEREZ-SNVBAGLBSA-N 245.347 3.596 30 20 BHED C=C(Cl)CN[C@@H](C)c1cc(F)c(F)c(F)c1 129796819 QSSSPUCBWNCDOJ-ZETCQYMHSA-N 249.663 3.507 30 20 BHED C=CCC[C@H](CC)N[C@@H]1CCc2c(O)cccc21 130562167 RDTYXGSMRZOLAI-SWLSCSKDSA-N 245.366 3.714 30 20 BHED C=C(CN[C@@H](C)CCCC)c1ccccc1 132308996 SYJWZGLDRGCUIG-AWEZNQCLSA-N 217.356 3.868 30 20 BHED N#Cc1c(F)cccc1OCCC1CCCC1 148016488 XHMYCDQMBUXPST-UHFFFAOYSA-N 233.286 3.656 30 20 BHED C=C[C@H](C)N[C@@H]1CCSc2c(F)cccc21 157268907 IEBVORQFNJZKOF-JOYOIKCWSA-N 237.343 3.527 30 20 BHED C=C(Cl)C[S@@](=O)[C@@H](CC)c1ccccc1 172845781 RKNAZIDJNSIFTN-SWLSCSKDSA-N 242.771 3.639 30 20 BHED C#CCC(C)(C)C(=O)NC1CCC(CCC)CC1 185257529 CRLIOSXGCGPJKH-UHFFFAOYSA-N 249.398 3.511 30 20 BHED C=C(C)CN(CC)[C@H](C)c1c(F)cccc1F 195732554 NFGJJCFDALTQFN-LLVKDONJSA-N 239.309 3.924 30 20 BHED C=C(C)CN(CC)[C@@H](C)c1ccccc1F 195732565 SUWVHBHCSDGCIH-LBPRGKRZSA-N 221.319 3.785 30 20 BHED C=CCN(CC=C)Cc1ccccc1Cl 196761743 SRMXMVSZYPHJSS-UHFFFAOYSA-N 221.731 3.514 30 20 BHED C#CCCCN[C@H]1CCCC[C@H]1C(C)(C)C 224307710 OYEZOVSDZWTDPC-KGLIPLIRSA-N 221.388 3.594 30 20 BHED C[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CC[C@H]1C 245919452 NPZZDFWSWPFFDH-MCIONIFRSA-N 242.366 3.597 30 20 BHED Cc1ccc(N=Cc2ccccc2O)c(F)c1 254840161 GELNGPWSOBWSSS-UHFFFAOYSA-N 229.254 3.590 30 20 BHED CC(C)c1ccc(NC(=O)CC(C)(C)C#N)cc1 278216102 IMIQGZVQWGWOHK-UHFFFAOYSA-N 244.338 3.688 30 20 BHED C=CCC[C@H](NCCCSC)c1ccco1 286128885 OLKWAKKCKVNPLW-LBPRGKRZSA-N 239.384 3.630 30 20 BHED N#Cc1cccc(Cl)c1N1CCCC2(CC2)C1 302247243 LDMLYPQLFLPALW-UHFFFAOYSA-N 246.741 3.592 30 20 BHED C=CC[C@H](C)[C@@H](C)NCC1CC(C)(C)C1 308849553 NSFKTASRBJFNBD-NWDGAFQWSA-N 209.377 3.613 30 20 BHED C=CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C 309812403 UOIZIMMEZSLZFQ-ZLKJLUDKSA-N 235.758 3.813 30 20 BHED Cc1nc(N[C@@H]2CCC[C@H]2C)c(Cl)cc1C#N 336705874 LHAJHEBTXOYCKA-PRHODGIISA-N 249.745 3.516 30 20 BHED CC(C)SCCC1(C#N)CCCCC1 381559348 DOXXBLZMDQLUOE-UHFFFAOYSA-N 211.374 3.992 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccc(OC)cc1 384921324 GMQVIFWBXFQURC-LBPRGKRZSA-N 233.355 3.558 30 20 BHED C=CCC[C@H](CC)N[C@@H](C)CC(F)(F)F 389949666 RTHORWFUSLBOQB-UWVGGRQHSA-N 223.282 3.662 30 20 BHED C=CC[C@@H](CC)Nc1ccc([N+](=O)[O-])cc1F 393771028 JHZJSLMDQMNAJO-SECBINFHSA-N 238.262 3.501 30 20 BHED C=C(C)CCNC(=O)[C@@H](c1ccccc1)C(C)C 452720685 XOCYNCNLXDKYGI-OAHLLOKOSA-N 245.366 3.509 30 20 BHED C=CCC(CC=C)C(=O)N[C@H]1C[C@]1(CC)C(C)C 457282337 MYQFQKPLQMNNBT-GOEBONIOSA-N 249.398 3.696 30 20 BHED CCC[C@@H](NCc1ccc(C#N)o1)C1CCCC1 459767998 LRBXFLNGCLQZDJ-OAHLLOKOSA-N 246.354 3.600 30 20 BHED CC#CCCSCc1ccc(F)cc1F 462376479 KCMFSSUOHVMTJL-UHFFFAOYSA-N 226.291 3.611 30 20 BHED C=CCN(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 475731054 MIPQSGIIMSRJCG-NEPJUHHUSA-N 237.774 3.950 30 20 BHED N#CC1(COc2cc(Cl)cc(Cl)c2)CC1 500774229 VIBMHWOPCFDKHY-UHFFFAOYSA-N 242.105 3.676 30 20 BHED C=CCOc1ccc(Cl)c(C(F)(F)F)c1 522822812 VLCBSZHFYPYMRL-UHFFFAOYSA-N 236.620 3.924 30 20 BHED CC(C)N(CCC#N)Cc1ccc([C@@H]2C[C@H]2C)o1 534341969 CQPZMSZMWOBRCR-TZMCWYRMSA-N 246.354 3.527 30 20 BHED C=C(CC)CSc1ccccc1OC 538011764 BLFKTJGMBQDFMK-UHFFFAOYSA-N 208.326 3.754 30 20 BHED CC[C@@H](CN(C)CC(C)(C)C#N)c1ccccc1 552085794 MZGJPVZUQMDPAJ-AWEZNQCLSA-N 244.382 3.662 30 20 BHED CC(C)(C#N)CCN1CC(C)(C)[C@@H]1c1ccco1 602926168 NFEKWWCTSZLCRN-ZDUSSCGKSA-N 246.354 3.602 30 20 BHED C=CCCC[C@H](C)NC(=O)C1CCC=CCC1 635771030 RIYRVEPTYXUBHJ-ZDUSSCGKSA-N 235.371 3.594 30 20 BHED C=CC(C)(C)C(=O)N1CC(C)(C)c2ccccc21 649121143 AOHSQGHNADBSGC-UHFFFAOYSA-N 243.350 3.523 30 20 BHED CCON=C1CCc2c1ccc(Cl)c2Cl 729143218 KEOZSZXXOMBNDW-UHFFFAOYSA-N 244.121 3.680 30 20 BHED C=C(Cl)CN1C[C@@H](c2ccccc2)C[C@@H]1C 734637258 DHUQSTUZTVNLEQ-JSGCOSHPSA-N 235.758 3.617 30 20 BHED CCON=C(C)c1cc2cc(C)c(C)cc2o1 749158554 QDTJPRBSBVGEPF-UHFFFAOYSA-N 231.295 3.810 30 20 BHED Cc1ccc(/C=C\C(=O)c2ccccc2O)s1 757475260 RDBYLGPKYFYETB-HJWRWDBZSA-N 244.315 3.658 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCc1ccc(C)c(F)c1 764737914 KCJYDTHEGLGRTM-DGCLKSJQSA-N 235.346 3.824 30 20 BHED C=C(C)CCOC(=O)C1(Cc2ccccc2)CC1 771281805 FTVGRVVFSLJJAH-UHFFFAOYSA-N 244.334 3.519 30 20 BHED Cc1cc(OC(=O)CCCCCC#N)ccc1F 805899492 XRPJBCRXOQOSEO-UHFFFAOYSA-N 249.285 3.514 30 20 BHED CC(C[C@H](C)CC(C)C)=NN[C@@H]1CCSC1 808003568 POXFTKKCFRSFHA-DGCLKSJQSA-N 242.432 3.530 30 20 BHED C=CCCCCCCCN[C@H](C)c1cnccn1 810242857 IGKPUVDDCRZCCL-CQSZACIVSA-N 247.386 3.654 30 20 BHED C=CCCCCOC(=O)C1(c2ccccc2)CC1 811011683 HUUCFDOWIHPBPH-UHFFFAOYSA-N 244.334 3.618 30 20 BHED CC(C)CCCCC(=O)OC1(CC#N)CCC1 838877905 LJYZWUWYRPRYHO-UHFFFAOYSA-N 237.343 3.582 30 20 BHED C=C(C)[C@@H]1CC=C(COC(=O)CCCF)CC1 850871839 HZBFZHDSRMAROW-CYBMUJFWSA-N 240.318 3.582 30 20 BHED C#CCCCCCOC(=O)C[C@H](C)c1ccco1 860643584 SGYSMLWFHPWNBP-ZDUSSCGKSA-N 248.322 3.510 30 20 BHED C=C1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 887579897 CVMVVRAUIBKJKM-CYBMUJFWSA-N 243.350 3.610 30 20 BHED C[C@H](NN=Cc1ccc(F)cc1)c1ccccc1 920386084 PQPJYZASXXIHAH-LBPRGKRZSA-N 242.297 3.510 30 20 BHED CC(C)(CCC#N)CN1CC[C@H]2CCCC[C@H]2C1 1319682793 XTDNNCDRIWPVNU-CABCVRRESA-N 248.414 3.828 30 20 BHED C=C[C@H](COC)N[C@H](C)c1cccc(C(C)C)c1 1328716050 GEOMMOSNFHHMCF-CZUORRHYSA-N 247.382 3.662 30 20 BHED C=C(CC)C(=O)N1CCC[C@@H]1c1cccc(C)c1 1348561034 ZTBUHEFFDQESPN-OAHLLOKOSA-N 243.350 3.625 30 20 BHED Cc1cccc(N(C)Cc2ccc(C#N)cc2)c1 49986556 DOUUMUBGWVNHFR-UHFFFAOYSA-N 236.318 3.503 30 20 BHED N#CCCSCc1c(F)cccc1Cl 58256533 YOPQRNBBAUBLMP-UHFFFAOYSA-N 229.707 3.626 30 20 BHED CCC(CC)CNc1ccc(F)cc1C#N 97635583 MCJBWAZGYODYLO-UHFFFAOYSA-N 220.291 3.545 30 20 BHED CCCCCCCCCC(=O)N[C@H](C)CC#N 112010299 WMJXCOLMWHWWTP-CYBMUJFWSA-N 238.375 3.545 30 20 BHED C[C@H](Nc1ccc(C#N)cc1Cl)C1CCC1 124178894 SIUKEVLMCLUTIP-VIFPVBQESA-N 234.730 3.812 30 20 BHED CC[C@@H]1CC[C@H](C)N1c1ccc(C#N)c(Cl)c1 124483932 XYSBMVLMFXRTAH-CMPLNLGQSA-N 248.757 3.979 30 20 BHED C=CCC[C@@H](C)NCCc1ccc(Cl)s1 134915849 BNGOXQJQMFWCFW-SNVBAGLBSA-N 243.803 3.888 30 20 BHED C=CCCN[C@@H](CCC)c1cccc([N+](=O)[O-])c1 161721148 YNJPNDOIERJONB-AWEZNQCLSA-N 248.326 3.602 30 20 BHED C#CCCCC(=O)N[C@H]1CCC[C@H](C(C)C)CC1 192176488 ZCJKBRVJPZAAOK-GJZGRUSLSA-N 249.398 3.511 30 20 BHED CCCN(Cc1ccc(C#N)cc1)[C@H](C)CC 195003982 WGYUXKGLCCEEML-CYBMUJFWSA-N 230.355 3.569 30 20 BHED CC[C@@H](C#N)SC[C@H](C)c1ccccc1 280031317 VXBUEYANPJNTAD-AAEUAGOBSA-N 219.353 3.825 30 20 BHED C=C[C@@H](C)Nc1cc2ccccc2c(Cl)n1 301615143 UZFMFSMFHGVXML-SECBINFHSA-N 232.714 3.875 30 20 BHED N#Cc1cc(F)ccc1NCC1(C2CC2)CCC1 301814765 ZEWZPAZBVVAKHS-UHFFFAOYSA-N 244.313 3.690 30 20 BHED C[C@@H](Nc1cccc(CC#N)c1)C1CCCC1 313430873 VDZGJZWMDZJLEK-GFCCVEGCSA-N 228.339 3.743 30 20 BHED C=CCCN(C)C(=O)c1cc2ccccc2s1 341957565 YSOWHEQQROWNCC-UHFFFAOYSA-N 245.347 3.549 30 20 BHED CC[C@@H](NCC(C)(C)C#N)c1cccc(C)c1 383579523 LNXAUEICGDPTKZ-CQSZACIVSA-N 230.355 3.586 30 20 BHED C=C(C)CNC[C@@H](CCC)c1ccccc1 390443918 WSIHJMONGQGOKJ-OAHLLOKOSA-N 217.356 3.736 30 20 BHED C[C@H]1C[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 424321678 HPZUUUOPYYBURE-BCUIYNNISA-N 240.350 3.517 30 20 BHED C=CCN(C[C@H](C)c1ccc(F)cc1)C1CC1 437978003 LKAISXMTYLFDCT-LBPRGKRZSA-N 233.330 3.580 30 20 BHED CC(C)(C)[C@H]1CN(CCCC#N)c2ccccc21 444773537 DWKCWLBHRJJJCV-AWEZNQCLSA-N 242.366 3.940 30 20 BHED C=C(C)CCNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 452721278 ZPBZVMVOQXOOBY-SOUVJXGZSA-N 249.398 3.675 30 20 BHED C=CCCCSCC1CC(OCC)C1 507115121 DYPZYFMKIIKEQF-UHFFFAOYSA-N 214.374 3.501 30 20 BHED CCC1(C)CCN(Cc2ccc(C#N)s2)CC1 513093700 CWEFLYLYWSJRBT-UHFFFAOYSA-N 248.395 3.632 30 20 BHED C=CCCCCCN(C)C(=O)[C@H]1C[C@H]2CC[C@H]1C2 523512219 PLRDDNGNCJOOMO-KKUMJFAQSA-N 249.398 3.627 30 20 BHED C=CCCN1CC=C(c2cccc(C)c2)CC1 540043992 KIWKEXHLEQBWMY-UHFFFAOYSA-N 227.351 3.660 30 20 BHED CC1(C)CCC[C@@H](CN2CCC(CC#N)CC2)C1 541921218 YCGOATUGCOVDNV-OAHLLOKOSA-N 248.414 3.828 30 20 BHED C[C@@H](CC1CCCCC1)CN(C)[C@@H](C)CC#N 544606404 RNSNDRQYHMFLIS-KBPBESRZSA-N 236.403 3.827 30 20 BHED C/C=C/c1ccc(Nc2ccncc2C#N)cc1 576187176 DSXXODNIYQCTKC-NSCUHMNNSA-N 235.290 3.730 30 20 BHED N#Cc1ccc(-c2cccc3cnccc23)s1 589962883 DMMIZFZFKWTYIZ-UHFFFAOYSA-N 236.299 3.835 30 20 BHED C=CCC(C)(C)C(=O)N1C[C@H](CC)CC[C@H]1C 619137155 RLQXJUSEAZVYPW-CHWSQXEVSA-N 237.387 3.626 30 20 BHED C=C(C)c1ccc(NCC(F)(F)F)cc1 649444113 CCLHTFSDQCDNRP-UHFFFAOYSA-N 215.218 3.694 30 20 BHED CCC#C[C@H](C)N[C@H](C)c1cc2ccccc2o1 680405028 WQUCUVPEDOVPOA-QWHCGFSZSA-N 241.334 3.885 30 20 BHED CCCCCCCCCN(C)Cc1ncc[nH]1 732198598 YQKDMEOCZYWZHV-UHFFFAOYSA-N 237.391 3.592 30 20 BHED CC(CCc1ccc(F)cc1)=NOCC(C)C 749636862 UDPYUZVRJVJWDB-UHFFFAOYSA-N 237.318 3.807 30 20 BHED C=C(Cl)COC(=O)c1ccc(C)cc1Cl 755657307 PMIWMRIKGHFIKG-UHFFFAOYSA-N 245.105 3.558 30 20 BHED CCC(=NO[C@@H]1CCCCO1)c1ccc(C)cc1 755822667 HISDJWJDBAGJRF-OAHLLOKOSA-N 247.338 3.652 30 20 BHED CC[C@@H]1CCCC1=NNc1cccc([N+](=O)[O-])c1 758359209 ORGCRSNDDYDSHO-SNVBAGLBSA-N 247.298 3.573 30 20 BHED C#CCCCSCCCc1ccccc1 766289720 OYCHRBWDKDPFAF-UHFFFAOYSA-N 218.365 3.766 30 20 BHED CCON=C(C)c1ccc(OC)c2ccccc12 767462941 DATITOUIZXCEJQ-UHFFFAOYSA-N 243.306 3.609 30 20 BHED C=Cc1cc(OC)c(OCC(=C)CC)c(OC)c1 773178251 WPNBJMZQYAIERN-UHFFFAOYSA-N 248.322 3.692 30 20 BHED CCC(CC)CNN=Cc1ccccc1Cl 774460342 FPYLFVFGZVJIQZ-UHFFFAOYSA-N 238.762 3.700 30 20 BHED CCN(CCC#N)[C@H]1CCc2cc(Cl)ccc21 795926267 FAJIWQKAGOJAHI-AWEZNQCLSA-N 248.757 3.563 30 20 BHED C#Cc1ccc(CNc2ccc(C)cc2F)cc1 809597329 NJGRMOYUIDDSMM-UHFFFAOYSA-N 239.293 3.728 30 20 BHED C#Cc1ccc(CN[C@@H](C)c2ccsc2)cc1 809663314 SOBRJCNMYOQONC-LBPRGKRZSA-N 241.359 3.580 30 20 BHED C[C@H](NN=C1CCCCCCC1)c1ccncc1 819815261 OLJPEKIUCCFMDV-ZDUSSCGKSA-N 245.370 3.833 30 20 BHED C[C@H](NN=C[C@H]1CCCC[C@@H]1C)c1ccncc1 819817277 ZJQZKPCENCTRDF-KCQAQPDRSA-N 245.370 3.544 30 20 BHED CC[C@@H](C)C=NNc1cc(C(F)(F)F)ccn1 834984822 ZRSYOOCPOVWNSM-MRVPVSSYSA-N 245.248 3.544 30 20 BHED C=CC(C)(C)C(=O)O[C@H](C)c1ccccc1 835106445 QFWSNIJCMPQSOC-LLVKDONJSA-N 218.296 3.503 30 20 BHED CC1=C(C)C[C@H](C(=O)O[C@H](C)C(C)(C)C#N)CC1 842741342 HRVYIVVNMCHHHZ-CHWSQXEVSA-N 249.354 3.604 30 20 BHED C=CCN(C(=O)C=C(CC)CC)C(C)(C)C 857651045 PIYUAJOCQSOIGI-UHFFFAOYSA-N 223.360 3.546 30 20 BHED N#C[C@@H]1CC[C@@H](Nc2ccc(C(F)F)cc2)C1 897107251 RZEGKHIOCVMAFL-BXKDBHETSA-N 236.265 3.728 30 20 BHED C=C1CCN(c2nccc3ccc(F)cc23)CC1 1120867112 XDVRLOFQORZTNM-UHFFFAOYSA-N 242.297 3.530 30 20 BHED C=C(C)C(C)(C)c1nnc(Cc2cccs2)o1 1327028460 SNYWJVGPOBZZHE-UHFFFAOYSA-N 248.351 3.576 30 20 BHED CC1(C)OB(C=CCC2CCCC2)OC1(C)C 1857776555 GXNIAKZVBGUMHU-UHFFFAOYSA-N 236.164 3.754 30 20 BHED O=C(/C=C\c1ccc(F)cc1)c1cccs1 33857575 TUACRTLXMOTXHL-YVMONPNESA-N 232.279 3.783 30 20 BHED CC(C)[C@H]1CCCN(CCC(C)(C)C#N)CC1 87595703 YMAJRBMPTBUEIY-AWEZNQCLSA-N 236.403 3.684 30 20 BHED C=CCCC(=O)NCc1ccc(C(C)(C)C)cc1 102226072 ZDRCAIFMRHLUAG-UHFFFAOYSA-N 245.366 3.567 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc(C)cc1C 157266784 NGLULCAOIZQRPF-CHWSQXEVSA-N 203.329 3.529 30 20 BHED C=CC[C@@H](C)N[C@@H](CC)c1ccc(OC)cc1 163313199 FZQULDMMHATOBV-DOMZBBRYSA-N 233.355 3.701 30 20 BHED N#Cc1ccccc1SCc1cccc(F)c1 172680375 SFDXBRGGOBXTRU-UHFFFAOYSA-N 243.306 3.990 30 20 BHED C=C(C)CN(CC)Cc1c[nH]c2ccccc12 176426539 QOECVQZPVJCFHP-UHFFFAOYSA-N 228.339 3.566 30 20 BHED C=C(C)CN(C)C(=O)C1(CC(C)C)CCCC1 180400637 FURSFNYJGYIIJQ-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc(SC)cc1 189929916 JGFVBPOKMJGXBP-CQSZACIVSA-N 249.379 3.949 30 20 BHED C#Cc1cccc(NCc2cc(C)ccc2F)c1 231748551 ZTOQNFPJILNOOT-UHFFFAOYSA-N 239.293 3.728 30 20 BHED N#Cc1ccc(OCC2CC2)c2ccccc12 236176195 YIIYFSGEZOYOPA-UHFFFAOYSA-N 223.275 3.500 30 20 BHED C=C(C)CCSc1nccc(C(F)(F)F)n1 274739765 LGASTPGOZIXIAY-UHFFFAOYSA-N 248.273 3.554 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccsc1Cl 276885558 GRZOREROXDFKGJ-LLVKDONJSA-N 243.759 3.942 30 20 BHED C=CCCCSCc1scnc1C 290802590 PYWPCLQRCMVUCY-UHFFFAOYSA-N 213.371 3.651 30 20 BHED N#Cc1cccc(Cl)c1N[C@@H]1CC=CCC1 301397471 NWFPDNVJCNIKGF-LLVKDONJSA-N 232.714 3.732 30 20 BHED Cc1nc(NCC(C)(C)CCC#N)sc1C 309696653 LERHKXQSNIWFNU-UHFFFAOYSA-N 237.372 3.502 30 20 BHED CCC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1 349322044 LKDSQNQXFZVZEC-KBMXLJTQSA-N 242.366 3.810 30 20 BHED C[C@@H]1CCN(CCCC(C)(C)C#N)CC12CCC2 371432540 KEMDOHJTLVSMOV-CQSZACIVSA-N 248.414 3.828 30 20 BHED C=CCCCN[C@@H](C)c1nc2ccccc2s1 383020876 RFDBWZZMDOIAIX-NSHDSACASA-N 246.379 3.913 30 20 BHED C#CCCCS[C@@H](C)c1cccs1 388722701 SRYUFOBEDUTSIP-JTQLQIEISA-N 210.367 3.956 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H](C)CC(F)(F)F 389923325 UAEHONZNLLHQDJ-IVZWLZJFSA-N 223.282 3.518 30 20 BHED C=CC[C@H](CC)Nc1ccnc(C(F)(F)F)c1 393807706 REZODMIYUCMRGA-VIFPVBQESA-N 244.260 3.867 30 20 BHED C=CCc1ccccc1OC[C@H](F)CC 441823414 MDIMXFRUHIRPCD-GFCCVEGCSA-N 208.276 3.542 30 20 BHED C[C@@H]1CCCC[C@@H]1CCN[C@H]1CCC[C@H](C#N)C1 447527158 FIUGYJRVPVEODS-QXSJWSMHSA-N 248.414 3.875 30 20 BHED C=CCCCCCN[C@@H]1CC(C)(C)OC1(C)C 488002434 OASDICCIVFXJRS-CYBMUJFWSA-N 239.403 3.669 30 20 BHED C=CCc1ccccc1OCC[C@@H](C)F 505690966 YYIOKBRRTCBWMS-LLVKDONJSA-N 208.276 3.542 30 20 BHED CC[C@](C)(C#N)c1nc(C2CCCCCC2)no1 518375504 BZKPOWRXAGAMSE-CQSZACIVSA-N 247.342 3.699 30 20 BHED C=CC1CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 538730419 KBIPNYXMQVYSDF-IUODEOHRSA-N 245.366 3.801 30 20 BHED CCOc1ccc(C#N)cc1NC1CC(CC)C1 560259738 DZINFNJXPNLQFL-UHFFFAOYSA-N 244.338 3.557 30 20 BHED C=CCC[C@H](NC[C@H]1C[C@H]1C)c1ccccc1 576453373 SNALFFWGPDFTIP-BMFZPTHFSA-N 229.367 3.940 30 20 BHED CC(C)(C)C#Cc1nccc2sccc12 585143757 LEMLDBGCSVEJHW-UHFFFAOYSA-N 215.321 3.694 30 20 BHED CC#CCN(CCCC)[C@H](C)c1ccc(C)o1 607727994 OEHDELMSEMNJDB-CQSZACIVSA-N 233.355 3.774 30 20 BHED C=CCCN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 685054521 KDOZYWLTYVZXLK-PHIMTYICSA-N 235.293 3.615 30 20 BHED C=CCN(Cc1ccc(CC)cc1)C(C)C 746152791 CWUAAEPQPNYWIU-UHFFFAOYSA-N 217.356 3.645 30 20 BHED CCCCCCCC(=O)N(CCC)CC(F)F 748191802 QPUCTLBRIVRCAW-UHFFFAOYSA-N 249.345 3.851 30 20 BHED CC(=NO[C@H]1CCCCO1)[C@@H](C)c1ccccc1 755820950 HBKMMGSPRQKJQL-DOMZBBRYSA-N 247.338 3.709 30 20 BHED CC(CC1CCC1)=NNc1ccccc1 758354597 KNPRIDWIVPRFPH-UHFFFAOYSA-N 202.301 3.665 30 20 BHED CCC[C@@H](C)CC(=O)Oc1ccc(C#N)c(C)c1 765091299 GQOFSLBBKKYQEJ-LLVKDONJSA-N 245.322 3.598 30 20 BHED N#C[C@H](OC(=O)C=C1CCCC1)C1CCCCC1 776381175 QZDSQVLMRXVVHK-AWEZNQCLSA-N 247.338 3.502 30 20 BHED CC(C)(C)CC(=NOCc1cccnc1)C1CC1 787163653 SXHVGQDKTVYPJN-UHFFFAOYSA-N 246.354 3.800 30 20 BHED C#CC[C@@H](N[C@H]1CCC12CCC2)c1ccccc1 800483135 ZQDXGSRXVUNEIO-CVEARBPZSA-N 239.362 3.673 30 20 BHED C[C@H]1CC=CC[C@H]1COC(=O)CCCCCC#N 805869607 XBWAWICXZIGYOD-KBPBESRZSA-N 249.354 3.606 30 20 BHED CCCCCCCNc1ccc2c(c1)C(=O)OC2 809195663 IXISIFRKXWEJEY-UHFFFAOYSA-N 247.338 3.739 30 20 BHED C=CCCCCCCCNCc1cccn1C 810160931 ZJNVJQAOUCFSPN-UHFFFAOYSA-N 234.387 3.641 30 20 BHED Cc1[nH]c2ccccc2c1C=NOC/C=C\Cl 811671263 PPANRRFTCUWKPC-OPXLJTMYSA-N 248.713 3.579 30 20 BHED CC(=NOCC1CC1)c1ccc(F)c(Cl)c1 814241687 MYXRLPNLLXYTBF-UHFFFAOYSA-N 241.693 3.630 30 20 BHED C[C@H]1CC[C@@H](C)CC1=NN[C@H](C)c1ccncc1 819817625 CKYSMUBGWCPAMM-FRRDWIJNSA-N 245.370 3.544 30 20 BHED C[C@H](CNC1CCC(C)(C#N)CC1)C(C)(C)C 823876691 RMAIIDVULCXMJY-DNOWBOINSA-N 236.403 3.731 30 20 BHED Cc1cc(SCCCCCCO)ccc1C#N 842633948 ZLMOFNRVTRZNDJ-UHFFFAOYSA-N 249.379 3.512 30 20 BHED C=C1CCC(C(=O)N(C2CCCC2)C2CC2)CC1 887944917 YEUOCVWWEJAQGO-UHFFFAOYSA-N 247.382 3.666 30 20 BHED C=C1CC(c2noc(-c3cccc(F)c3C)n2)C1 896873689 FNZBUDIFENCYHX-UHFFFAOYSA-N 244.269 3.618 30 20 BHED Fc1ccc(NN=C[C@H]2CC=CCC2)cc1 916268223 REACZKIERAJNBU-NSHDSACASA-N 218.275 3.580 30 20 BHED CCCCCCC[C@H](C)CNC(=O)[C@@H]1C[C@H]1C 917872975 SNJUXHKKUHXHDO-BFHYXJOUSA-N 239.403 3.755 30 20 BHED Cc1cc(CN[C@@H](C)CC(C)(C)C#N)ccc1F 924595848 YVOBZLRVTBHBIY-LBPRGKRZSA-N 248.345 3.552 30 20 BHED Cc1cc(NCC(C)(C)CC(C)C)ncc1C#N 1162701206 SKBRAJUSJNGGBS-UHFFFAOYSA-N 245.370 3.746 30 20 BHED N#Cc1ccnc(/C=C/c2ccc(Cl)cc2)c1 1241585371 QZOZXYKCCIMKIA-ZZXKWVIFSA-N 240.693 3.777 30 20 BHED N#Cc1cc(SCC2CCCCC2)ccn1 1472671279 DSYNKJIZJSTKFD-UHFFFAOYSA-N 232.352 3.626 30 20 BHED CCC[C@H](CC)C(=O)Nc1cc(C)cc(C#N)c1 1584930369 OZLZZTJDQNDJEN-ZDUSSCGKSA-N 244.338 3.632 30 20 BHED C=C(C)CN1CCC[C@@H]1c1ccccc1C 52212234 BZEMORMJARZQIJ-OAHLLOKOSA-N 215.340 3.708 30 20 BHED CC[C@H](CC#N)N[C@H](C)CCc1cccc(C)c1 54184004 LMAWIAISEKHFDX-GDBMZVCRSA-N 244.382 3.598 30 20 BHED C=CCCCNc1ccc(OC(F)(F)F)cc1 71275357 UKMCSFMHZKUFLL-UHFFFAOYSA-N 245.244 3.963 30 20 BHED Cc1ccccc1N(C)CCCC(C)(C)C#N 87608671 UCODNSKHUVXSQU-UHFFFAOYSA-N 230.355 3.761 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCc2c(Cl)cccc21 125930165 OSGIXASLMYESAV-QMTHXVAHSA-N 235.758 3.882 30 20 BHED C=C[C@H](C)NCc1ccc(Cl)c(Cl)c1 130457221 WYSKDJXAXVCELF-QMMMGPOBSA-N 230.138 3.658 30 20 BHED Cc1cccc(NCc2ccc(C#N)s2)c1C 135682811 RVLSDTLAUCJZQB-UHFFFAOYSA-N 242.347 3.849 30 20 BHED C=CCCCC(=O)N(C)[C@H](C)c1ccccc1F 175238316 QIKALMUWXROAGK-GFCCVEGCSA-N 249.329 3.701 30 20 BHED CCC(=CC(=O)Nc1cccc(C#N)c1C)CC 178375594 AVSUEQXOGGFOLD-UHFFFAOYSA-N 242.322 3.552 30 20 BHED Cc1ccc(N(C)CC(C)(C)CCC#N)cc1 180664466 HQJOZNNFPSMJIH-UHFFFAOYSA-N 230.355 3.761 30 20 BHED C=CCCCCCN(Cc1ccncc1)C1CC1 193454249 DFGOYNGZIQMZSP-UHFFFAOYSA-N 244.382 3.792 30 20 BHED C[C@H]1C[C@H](C)CC[C@@H]1NCCCC(C)(C)C#N 227014210 GUMJZGGCKWBUII-RDBSUJKOSA-N 236.403 3.731 30 20 BHED C=CC[C@H](C)Nc1ncnc2sc(CC)cc12 342506962 YBSIJSNBOSQBCT-VIFPVBQESA-N 247.367 3.630 30 20 BHED N#CCCCN(Cc1ccco1)c1ccccc1 343567360 NGHKTPKOEKOINE-UHFFFAOYSA-N 240.306 3.590 30 20 BHED Cc1cccc(C)c1CSCC1(C#N)CC1 344467446 DBBBZBPYZRONCK-UHFFFAOYSA-N 231.364 3.840 30 20 BHED C=CCC1(C(=O)N2C[C@H](C)CC(C)(C)C2)CCC1 359859682 UXQFJFSVJIDXOM-CYBMUJFWSA-N 249.398 3.627 30 20 BHED C#CCCCNc1cc(Cl)c(Cl)cc1F 389911031 JDEFTBWKDRGFAK-UHFFFAOYSA-N 246.112 3.958 30 20 BHED CC1(C)CC[C@@H](CSc2ccc(C#N)cc2)O1 412993288 OEKIXQVAXRCGBV-LBPRGKRZSA-N 247.363 3.608 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 424690077 UEXPMTISBCABIJ-ITGUQSILSA-N 237.387 3.530 30 20 BHED C=CCCCCCSc1nncn1C(C)C 447286454 JIFTVJZPGWPQCU-UHFFFAOYSA-N 239.388 3.698 30 20 BHED CC(C)N(Cc1cccs1)CC1(C#N)CCC1 450287858 PBAAGJYXINPWQA-UHFFFAOYSA-N 248.395 3.652 30 20 BHED Cc1cccc(C)c1[C@H](C)NCC1(C#N)CCC1 450747902 RBVFZAVIQDMMGE-AWEZNQCLSA-N 242.366 3.648 30 20 BHED C=CCCC1(C(=O)N[C@H](C)CCC=C(C)C)CC1 452545533 WNVGNZYFUOLJOB-CQSZACIVSA-N 249.398 3.984 30 20 BHED N#Cc1cc(F)ccc1CSC1CCCC1 483234087 CVRMYCAOPUDYAL-UHFFFAOYSA-N 235.327 3.873 30 20 BHED C=CCCNc1ccc(C(=O)C(C)(C)C)cc1 530912648 RURMAWMOEKQUKA-UHFFFAOYSA-N 231.339 3.903 30 20 BHED C=CCC(C)(C)C(=O)N1CCC(C)(CC)CC1 555695470 HJRSWLISGHKCMD-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CCCCCN1C[C@H](C)C[C@@H]1c1cccnc1 562703249 ZURITSBRTRMYQH-GDBMZVCRSA-N 244.382 3.821 30 20 BHED C=CCCC(C)(C)NC(=O)c1sccc1C 620864579 IHPMXDMKNFOPSX-UHFFFAOYSA-N 237.368 3.531 30 20 BHED C=CCCCCCNc1ccccc1NC(C)=O 629203268 DFYKGAJSROKKMW-UHFFFAOYSA-N 246.354 3.803 30 20 BHED C=C(C)c1ccc(Cn2nc(C)cc2C)cc1 649444352 PZEPINRKGHOGNK-UHFFFAOYSA-N 226.323 3.581 30 20 BHED CC(=NOCC(C)C)c1cccc(C)c1C 749637124 YETUOXXOMYFECK-UHFFFAOYSA-N 219.328 3.700 30 20 BHED C#C[C@@H](CC)NC(=O)[C@@H](CC)CC1CCCCC1 754389092 UPPMRKTVVYTZQY-GJZGRUSLSA-N 249.398 3.511 30 20 BHED CCC(=NOCC(F)F)c1cccc(Cl)c1 758904982 YWLBOQSQYZETRG-UHFFFAOYSA-N 247.672 3.736 30 20 BHED CC[C@H]1CCCCC1=NOCc1cccnc1 779786563 ZTAJYHSMZURSDD-ZDUSSCGKSA-N 232.327 3.554 30 20 BHED C=CCN(C)C(=O)[C@@](C)(CC)CCCCC 781038301 MDTUGFQGAWUZNX-AWEZNQCLSA-N 225.376 3.627 30 20 BHED CCCC[C@H]1CCCC1=NN[C@H](C)CC 790189561 PAJFVJKGKFSUMA-NEPJUHHUSA-N 210.365 3.721 30 20 BHED CCCC[C@@H](C)C(C)=NNc1ccccn1 807950092 NWOQQDGFHFEQEB-LLVKDONJSA-N 219.332 3.696 30 20 BHED C[C@@H]1CCC(=NNCC2CCCC2)C[C@H]1C 808007107 PNRGPKAOTZCOFF-VXGBXAGGSA-N 222.376 3.578 30 20 BHED CSCCON=C[C@H](C)C1CCCCC1 814921792 BYBWXBSEGKQSLE-NSHDSACASA-N 229.389 3.568 30 20 BHED CCCCCC(C)=NNc1ccc([N+](=O)[O-])cc1 818195868 BUZJDKMVYCIFHX-UHFFFAOYSA-N 249.314 3.963 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(Cl)cc1O 841753321 GUBGIILLNANFEO-JTQLQIEISA-N 239.746 3.662 30 20 BHED C=C(C)CON=C(C)CCc1ccccc1 844614939 KSYNIMHMPVZHSU-UHFFFAOYSA-N 217.312 3.588 30 20 BHED C=CC[C@H](OC(=O)CCCF)c1ccccc1 850964523 AEQGUBJKEZMFHI-ZDUSSCGKSA-N 236.286 3.597 30 20 BHED C=C1CCC(C(=O)Nc2cscc2C)CC1 889657465 YPCTXZJMFBXUEJ-UHFFFAOYSA-N 235.352 3.741 30 20 BHED CC(=NNc1ccc(F)cc1)c1cccs1 916268212 QOKGXKKRBAAGOY-UHFFFAOYSA-N 234.299 3.723 30 20 BHED COCCC1(C=NOC(C)(C)C)CCCCC1 1320514470 YCMLZIJKEOVIKL-UHFFFAOYSA-N 241.375 3.774 30 20 BHED CC(C)(C)[C@@H]1CCC[C@@H]1Nc1cccc(C#N)n1 1651933513 YIPJYUHWNSPLNI-OLZOCXBDSA-N 243.354 3.580 30 20 BHED C[C@H](NCCCCC#N)c1ccccc1Cl 42224798 BZTKGHQZSAXUGC-NSHDSACASA-N 236.746 3.684 30 20 BHED N#Cc1cccc(CSC2CCCC2)c1 61547569 XXPQNZQJIJEWFO-UHFFFAOYSA-N 217.337 3.734 30 20 BHED C[C@@H](C#N)Nc1ccccc1CCC(F)(F)F 89099371 GAQPIAPYEIAYKP-VIFPVBQESA-N 242.244 3.505 30 20 BHED Cc1ccccc1C#Cc1ccccc1C 138801667 SVIUEMOZHFTFEZ-UHFFFAOYSA-N 206.288 3.703 30 20 BHED C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C)[C@@H](C)C1 187694274 HMXIBDOKDTYDMO-RDBSUJKOSA-N 242.366 3.597 30 20 BHED C#CCCCCNCc1ccc(C(F)F)cc1 236130854 KIMGTPGFQSYLKR-UHFFFAOYSA-N 237.293 3.517 30 20 BHED C[C@H](NCCCC#N)c1cccc(C2CC2)c1 294290616 MSVFHIHWVIOUNQ-LBPRGKRZSA-N 228.339 3.518 30 20 BHED CC(C)(C)CNc1ccc2cc(C#N)ccc2n1 301974034 KNYHLTDWFCGVSM-UHFFFAOYSA-N 239.322 3.564 30 20 BHED C=C(C)CN1C[C@@H](c2ccccc2C)C[C@@H]1C 303805302 XTDVIUBRCIZCAU-GJZGRUSLSA-N 229.367 3.749 30 20 BHED C[C@H]1CCC[C@@H](COc2cccc(F)c2C#N)C1 305990946 SVTCIGCBIBIOIK-NWDGAFQWSA-N 247.313 3.902 30 20 BHED C=CC[C@@H](CC)NCc1ccc(C)cc1C 309429726 FZJGNWNPOCBPCH-OAHLLOKOSA-N 217.356 3.748 30 20 BHED Cc1c(Cl)cnc(N[C@@H]2CCC[C@H]2C)c1C#N 336919187 FDYCECXDUBQBFZ-PRHODGIISA-N 249.745 3.516 30 20 BHED C=CCCC(=O)Nc1nc2c(C)cccc2s1 338619625 BLSWVFVUSDOXJJ-UHFFFAOYSA-N 246.335 3.509 30 20 BHED N#CCCCN(c1ccccc1F)C1CCCC1 348762084 GBEFZGNKMHJPII-UHFFFAOYSA-N 246.329 3.878 30 20 BHED C=CCC(C)(C)c1noc([C@H](C)C2CCC2)n1 420506738 VZZUXBRMOIWXRF-SNVBAGLBSA-N 234.343 3.827 30 20 BHED N#Cc1ccc(CSCC2CCC2)c(F)c1 437433718 SEBANSUFXBOJRC-UHFFFAOYSA-N 235.327 3.731 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@]1(C)CCC[C@H]1C 452426720 ZALQOHXBSUGHJD-DOMZBBRYSA-N 237.387 3.531 30 20 BHED C=CCC[C@H](NC/C=C/CC)c1ccco1 453324692 QONZOTYUBZCASW-IYNGYCSASA-N 219.328 3.843 30 20 BHED CCN(CCC#N)CC[C@@H](C)CCC=C(C)C 482071968 SRHZTQNBAALBEP-HNNXBMFYSA-N 236.403 3.995 30 20 BHED C[C@@H]1CC[C@@H](Sc2ccc(C#N)cc2F)C1 549374081 HNVLWSMABATSTH-MWLCHTKSSA-N 235.327 3.978 30 20 BHED C=C(CC)CN1CC[C@H](c2ccccc2F)C1 570819815 QPKCLMMRRBTJGZ-ZDUSSCGKSA-N 233.330 3.581 30 20 BHED C=CCCCCS[C@H](C)c1nnc(C)o1 572858344 JRGNFQFFEWQNKX-SECBINFHSA-N 226.345 3.529 30 20 BHED CC[C@@H](NC[C@@H](C)CCC#N)c1ccc(C)cc1 602500489 ZLNFNSQDJXLIGW-GOEBONIOSA-N 244.382 3.976 30 20 BHED N#CCC1(CNC2CCC(=C3CCC3)CC2)CC1 602644118 UVUZBUHBHHKMJJ-UHFFFAOYSA-N 244.382 3.693 30 20 BHED C[C@H](c1ccc(F)cc1)N(C)CC1(CC#N)CC1 602756971 BXQHOIDVMALEOK-GFCCVEGCSA-N 246.329 3.512 30 20 BHED CCC[C@@H]1CCCC[C@H]1Nc1cccc(C#N)n1 609893032 YDXFWIXQCQKTBS-TZMCWYRMSA-N 243.354 3.724 30 20 BHED C#CCN(C(=O)CCC(C)(C)C)C1CCCCC1 688847357 DNDDOEBXRQQQPE-UHFFFAOYSA-N 249.398 3.607 30 20 BHED C[C@@H](CCC#N)N1CCC[C@@H](C2CCCCC2)C1 708235441 GCAHUJBRPAKUIE-GOEBONIOSA-N 248.414 3.971 30 20 BHED C[C@H](COc1cccc(F)c1C#N)C(C)(C)C 711221870 ALUSELWQKVNONA-SNVBAGLBSA-N 235.302 3.758 30 20 BHED CC(C)C[C@H](C)CC(=O)Oc1ccc(C#N)cc1 727659642 RANPOOBTDUCROA-LBPRGKRZSA-N 245.322 3.536 30 20 BHED C=CCCOC(=O)[C@H](CCC)c1ccccc1 729073370 UNWUGKVNBZKFHQ-CQSZACIVSA-N 232.323 3.690 30 20 BHED C=CCCOC(=O)c1cc(CCC)c(C)s1 729073390 WJPHUTAZPINWHU-UHFFFAOYSA-N 238.352 3.742 30 20 BHED C=C(C)CN(C)c1ccc(C)c(Cl)c1 733311349 RCOIEOWGAOLFFH-UHFFFAOYSA-N 209.720 3.661 30 20 BHED C[C@@H](C=NOCC(F)F)CC1CCCCC1 758899101 DIPZDNWOTQFEFY-SNVBAGLBSA-N 233.302 3.860 30 20 BHED C=CCN(C(=O)C1CCCCCCC1)C1CC1 771828183 SXDMGRRJDIYYBZ-UHFFFAOYSA-N 235.371 3.524 30 20 BHED C=C(C)CN(C)C(=S)Nc1ccc(C)c(C)c1 777918892 PXSVPPYTXKNKLJ-UHFFFAOYSA-N 248.395 3.508 30 20 BHED CC[C@H]1CCCC1=NNCCC(C)(C)C 782906950 HLIZTTRCOSHPQK-NSHDSACASA-N 210.365 3.578 30 20 BHED C[C@@H](NN=Cc1coc2ccccc12)C(C)(C)C 793112764 WTSRJPMRTFGXLA-LLVKDONJSA-N 244.338 3.791 30 20 BHED CCCCC(=NOCCCOC)c1ccccc1 795054837 BZKODNOURNXXGJ-UHFFFAOYSA-N 249.354 3.634 30 20 BHED C#Cc1cccc(NC2CCC(C(F)F)CC2)c1 799735168 WGRLNRZCRJBJEG-UHFFFAOYSA-N 249.304 3.904 30 20 BHED Cc1ccc2c(C=NOC/C=C\Cl)c[nH]c2c1 811668304 MOFBUQCKJGKJSE-ACTNEVMUSA-N 248.713 3.579 30 20 BHED N#CCCCC(=O)OCCCC1CCCCC1 812824696 FNPUCDDQUIUIMW-UHFFFAOYSA-N 237.343 3.584 30 20 BHED C(/C=C\c1ccccc1)=NOCCC1CC1 814246370 JORNGFSLYMGPAO-IMURNZGBSA-N 215.296 3.502 30 20 BHED CC1(C#N)CCC(=NOCc2ccccc2)CC1 834938795 MPDUQPKLVBBSPH-UHFFFAOYSA-N 242.322 3.663 30 20 BHED CCCON=C(C)C1CCC(F)(F)CC1 842555049 SGQWOBVYCYJHGI-UHFFFAOYSA-N 219.275 3.614 30 20 BHED CCC(CC)(CC)S[C@H](C#N)C1CC1 865364367 HVDBWRZYQVVENY-LLVKDONJSA-N 211.374 3.991 30 20 BHED CC(C)c1csc(S[C@@H](C#N)C2CC2)n1 865372948 ZGXAZKXVHAMHPK-JTQLQIEISA-N 238.381 3.661 30 20 BHED Cc1noc(C)c1-c1ccc(C2(C#N)CC2)cc1 871886039 YTVVUMNOURYDHP-UHFFFAOYSA-N 238.290 3.514 30 20 BHED CCCCCCC[C@@H](C)CNC(=O)NC(C)C 917669368 PPEIKBQSRDNSAB-CYBMUJFWSA-N 242.407 3.691 30 20 BHED C=CCCOC(=O)c1ccc(Cl)cc1Cl 918501804 LQPIPNAEUVSXIB-UHFFFAOYSA-N 245.105 3.726 30 20 BHED CC1(C)CCCN(CCCC2CCC2)[C@H]1C#N 1307747911 XAEWBCZLTCFYCN-AWEZNQCLSA-N 234.387 3.581 30 20 BHED CC[C@H]1CCC[C@H](Nc2cc(C)c(C#N)cn2)C1 1639501516 HUTLLBOEDOMMRN-JSGCOSHPSA-N 243.354 3.642 30 20 BHED CCC(CC)SCC1(C#N)CCCC1 1652641327 UIONDKMEGZUVDA-UHFFFAOYSA-N 211.374 3.992 30 20 BHED C[C@H]1CCCC[C@@H]1Nc1cccc(OCC#N)c1 37069508 ABQHTOJBAXGDRF-WFASDCNBSA-N 244.338 3.580 30 20 BHED CC[C@@H](C[C@H](C)CC)NCc1cccc(C#N)c1 37748755 XQAICACZIGQBQE-CJNGLKHVSA-N 244.382 3.863 30 20 BHED C=CCCOc1ccc(C)cc1Br 70592612 LBQTUCCFJCBLQC-UHFFFAOYSA-N 241.128 3.712 30 20 BHED C=CCC[C@H](C)Nc1cc(C)ccc1OC 126901610 IKHGIQKEQYZFFY-LBPRGKRZSA-N 219.328 3.770 30 20 BHED C[C@@H]1CCC[C@@H](N(C)Cc2ccc(C#N)s2)C1 130662223 JDBKZHLCFACJGQ-VXGBXAGGSA-N 248.395 3.630 30 20 BHED COc1cccc(CSCCCCC#N)c1 161067628 HQNIAUWLQYJHPL-UHFFFAOYSA-N 235.352 3.622 30 20 BHED C=CCC[C@H](CC)NCCSC(F)(F)F 178419424 ILWLCRWCULBLQO-VIFPVBQESA-N 241.322 3.574 30 20 BHED C#CCCCCN[C@@H](C)c1csc(Cl)c1 191379446 ZTORNCIDFWZAPZ-JTQLQIEISA-N 241.787 3.856 30 20 BHED CC(C)CCCNc1nc(Cl)c(C#N)s1 232545744 JWDNPKOZJOTVOR-UHFFFAOYSA-N 243.763 3.516 30 20 BHED CCC(C)(C)CNc1ccc(F)cc1C#N 233025288 NWINVNPCBKEKLW-UHFFFAOYSA-N 220.291 3.545 30 20 BHED C[C@H]1C[C@H](C)CN(CCCCC(C)(C)C#N)C1 235674257 TVKAWBHKNOBTEA-KBPBESRZSA-N 236.403 3.684 30 20 BHED C#CCCCCN[C@@H]1CC[C@H](C)C[C@H]1CC 252729044 DYBOBFUDELNQCZ-RRFJBIMHSA-N 221.388 3.594 30 20 BHED C=CCCC(=O)N[C@@H](C)c1cc(C)sc1C 263650853 GZDLNLSEYRXTJV-JTQLQIEISA-N 237.368 3.508 30 20 BHED C=CCC[C@H](N[C@H](C)CSC)c1ccco1 285947816 GAGBKSVLPYYEEZ-NEPJUHHUSA-N 239.384 3.628 30 20 BHED C[C@H]1C[C@H](c2ccccc2)CN1[C@H](C)CCC#N 299401233 UXYMHJWNEIYEJN-YCPHGPKFSA-N 242.366 3.557 30 20 BHED CC1CCC(C=O)(C/C=C/Cl)CC1 307315970 ZNUUGJOALDQBCA-KRXBUXKQSA-N 200.709 3.524 30 20 BHED C=CCCCCC[C@H](C)N[C@H](C)[C@H](C)OC 309460684 NVPZRBCCYSOFAP-MJBXVCDLSA-N 227.392 3.524 30 20 BHED C=CC[C@H](C)N[C@H]1CCCc2ccc(F)cc21 344281025 ABQSQPAVKMDFRV-NHYWBVRUSA-N 233.330 3.757 30 20 BHED C=C(C)CCNC(C)(C)c1ccccc1F 381456761 IOIITLIFUJBMOA-UHFFFAOYSA-N 221.319 3.617 30 20 BHED C=CC[C@@H](C)NCc1cccc(SCC)c1 381563252 SCZZFUIBHDEXMG-GFCCVEGCSA-N 235.396 3.853 30 20 BHED C[C@H](CC(C)(C)C)NCc1ccc(C#N)cc1F 385142098 MDZHEPCMPLRTPD-LLVKDONJSA-N 248.345 3.612 30 20 BHED C=CCCCCN[C@@H]1CCC12CCCC2 389980753 IRBQXGQJRBIVOX-CYBMUJFWSA-N 207.361 3.655 30 20 BHED C=CC[C@H](CC)NCc1ccccc1Cl 393616486 SHPZRSUUFINXLK-LBPRGKRZSA-N 223.747 3.784 30 20 BHED C=CCCC[C@@H](C)NCc1ccc(C#N)c(F)c1 404087997 VINOJSOFOGDZTF-GFCCVEGCSA-N 246.329 3.532 30 20 BHED C=CCC1(C(=O)N2CCC[C@H](CC)C2)CCCC1 449531933 CLMKTPRCHLOROG-AWEZNQCLSA-N 249.398 3.772 30 20 BHED C=CCCCC[C@@H](C)NCc1cnc(C)cc1C 449733120 GJTCSTOXASTWGB-CQSZACIVSA-N 246.398 3.923 30 20 BHED C=C(C)CCN1CC[C@@H](c2cccc(C)c2)C1 508965468 GGMGMRBMBARVOF-MRXNPFEDSA-N 229.367 3.751 30 20 BHED C=C1CCN([C@H](C)CCc2ccccc2)CC1 524676263 MYTUOFWPQCNWHA-OAHLLOKOSA-N 229.367 3.660 30 20 BHED C=CCCN[C@@H](c1ccc(F)cc1)C1CCC1 532687540 CVYSIESIRWHSQR-OAHLLOKOSA-N 233.330 3.833 30 20 BHED C=C(CC)CN(CCOC)[C@@H](C)c1ccccc1 538003535 ZCHKOGNCIAMRIF-HNNXBMFYSA-N 247.382 3.662 30 20 BHED C=C[C@H]1CCCCN1C[C@H]1CCC2(CCCC2)O1 554840961 KOYUSBGTUCBACT-LSDHHAIUSA-N 249.398 3.519 30 20 BHED CC[C@@H]1CCC[C@@H](CN(C)CC(C)(C)C#N)C1 565883826 RHJWGGITROKGTN-ZIAGYGMSSA-N 236.403 3.684 30 20 BHED CC(C)(C#N)CCN1CCC[C@H](C(C)(C)C)C1 567071659 NKBUNDZTCACGJH-ZDUSSCGKSA-N 236.403 3.684 30 20 BHED C=CCN(c1ncc(Cl)cc1Cl)C1CC1 569339945 RGDVVUPOYRIERG-UHFFFAOYSA-N 243.137 3.543 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H]1CC[C@H](C)CC1 582125597 YGLWMDWUCRXRRV-IHRRRGAJSA-N 237.387 3.674 30 20 BHED CCC(C)(C)OCc1ccccc1NCCC#N 583748524 JPQULNYBIPGCMG-UHFFFAOYSA-N 246.354 3.717 30 20 BHED CN(CCCCC(C)(C)C#N)C[C@H]1CC1(C)C 595907594 BONWHTBHOKDZSM-CYBMUJFWSA-N 236.403 3.684 30 20 BHED C=CCN(Cc1cccs1)C[C@H](C)CCC#N 602434990 YMQLTKWJLRNUMX-CYBMUJFWSA-N 248.395 3.676 30 20 BHED Cc1ccnc(CSc2ccccc2C#N)c1 616214516 BAIQLCJDRIYYNR-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=CCC[C@H](C)NCC(C)(C)c1ccc(C)cn1 624111787 FHBKRBDORWTJTA-AWEZNQCLSA-N 246.398 3.612 30 20 BHED C=CC[C@@H](CC)Nc1ccnc(C(C)(C)C)n1 685038736 UHMRGMLWMUGEEM-LLVKDONJSA-N 233.359 3.541 30 20 BHED CCC1CCC(=NNc2ccc(F)cn2)CC1 731318750 OEQLKVGDJBIVCX-UHFFFAOYSA-N 235.306 3.589 30 20 BHED C=CCN(C(=O)/C=C/C1CCCCC1)C(C)C 735429545 RMTZSCDMNWKNDD-ZHACJKMWSA-N 235.371 3.546 30 20 BHED C=CCCCOC(=O)C[C@H](C)c1ccccc1 735523844 DEHUAKMDQAELEL-ZDUSSCGKSA-N 232.323 3.690 30 20 BHED CC[C@@H](C#N)OC(=O)c1ccc([C@H](C)CC)cc1 756303294 ZMFVDCFSQNBSSQ-RISCZKNCSA-N 245.322 3.659 30 20 BHED C=C[C@H](C)NC(=S)Nc1ccc(C(C)C)cc1 756795098 GNTWHYPRDZQRQJ-NSHDSACASA-N 248.395 3.671 30 20 BHED CC(CCCC(C)C)=NOCC(F)(F)F 764845225 RNDZQNGYTFGWFY-UHFFFAOYSA-N 225.254 3.768 30 20 BHED CC[C@H]1CCCC1=NOC1CCCCC1 777457443 VDOGGPUTAOZSMZ-NSHDSACASA-N 209.333 3.902 30 20 BHED C[C@@H]1CCCC[C@@H]1C=NNc1cccc(C#N)c1 783821012 JMFWXCOBMFOLSV-TZMCWYRMSA-N 241.338 3.782 30 20 BHED C=CCN(C(=O)[C@H]1CC[C@H](CC)CC1)C(C)C 784050859 GPZXXVCIFGKSKE-HDJSIYSDSA-N 237.387 3.626 30 20 BHED CCCC[C@H]1CCCC1=NN[C@@H](C)CC 790189565 PAJFVJKGKFSUMA-RYUDHWBXSA-N 210.365 3.721 30 20 BHED C=CCCCCCCN[C@H]1CCC[C@H](C#N)C1 806167974 OYFGJOZMUHJQGF-GJZGRUSLSA-N 234.387 3.795 30 20 BHED C=CCCCCCCCNC(=O)/C=C/C=C\C 810767703 WZSLIGVNZXLQMT-FJZQHTSQSA-N 235.371 3.762 30 20 BHED Cc1ccc(NN=C2C[C@H](C)CC[C@@H]2C)nc1 834954197 KPIXCSDISLIOJP-PWSUYJOCSA-N 231.343 3.614 30 20 BHED C=C[C@H](C)ON=CC[C@H](C)c1ccccc1 844621517 IJTBOKMNGJQRHJ-STQMWFEESA-N 217.312 3.757 30 20 BHED O=C(/C=C/c1ccc(Cl)cn1)C1CCCCC1 901443747 ABPUDBKTJAENKZ-CMDGGOBGSA-N 249.741 3.898 30 20 BHED CC(C)c1ccccc1CN(C)[C@@H](C)CC#N 929832764 UJURKHBDMKNFNJ-ZDUSSCGKSA-N 230.355 3.544 30 20 BHED CC[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)[C@@H]1C 1169494652 NGUOIKSJMFSJIU-UMVBOHGHSA-N 242.366 3.740 30 20 BHED C=CCCCC[C@H](C)NCCCC(F)F 1352034561 SZANDZQYDSJKRV-NSHDSACASA-N 219.319 3.756 30 20 BHED CCCCC[C@H](NCCC#N)c1ccccc1 37240273 MVBFWZCGXRJMGR-HNNXBMFYSA-N 230.355 3.811 30 20 BHED CC[C@@H]1CCCN(c2cccc(Cl)c2C#N)C1 47873354 SIFHSDULBMLTMH-LLVKDONJSA-N 248.757 3.838 30 20 BHED CCCC1CCC(Nc2ccnc(C#N)c2)CC1 61812043 UEQCDPALPRWOLE-UHFFFAOYSA-N 243.354 3.724 30 20 BHED CC[C@H](C)N(CCCCC#N)Cc1ccccc1 70977440 FALOLQQIXUKQDG-HNNXBMFYSA-N 244.382 3.981 30 20 BHED Cc1cscc1CNc1cccc(F)c1C#N 94878095 XXAOQNNFCLTWHA-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C=C(C)COc1cccc(Cl)c1Cl 98069884 VXWINCRFBSKDTQ-UHFFFAOYSA-N 217.095 3.948 30 20 BHED C=C(C)COc1cc(Cl)ccc1Cl 105657548 LQFDALNAUMUXPB-UHFFFAOYSA-N 217.095 3.948 30 20 BHED C=C[C@H](CC(=O)NC(CC)CC)c1ccccc1 122077645 UGLRZGTXXFIXMK-CYBMUJFWSA-N 245.366 3.651 30 20 BHED C=CCCC(=O)CSc1ccc(C)cc1C 134655879 DCDZTCOOROHNBD-UHFFFAOYSA-N 234.364 3.931 30 20 BHED C=CCC[C@H](C)N[C@H](C)c1ccc(F)cc1F 135708821 WCVKZTCJOCLLJZ-WDEREUQCSA-N 239.309 3.970 30 20 BHED C=CCCCCCNc1ccc(C#N)cc1 232583151 XVUYQJKUPGOFSV-UHFFFAOYSA-N 214.312 3.717 30 20 BHED Cc1ccoc1C(=O)/C=C\c1cccs1 255772845 PGKDKYBNOUNMRX-PLNGDYQASA-N 218.277 3.546 30 20 BHED FC(F)c1ccc(CON=C2CCC2)cc1 274008005 AVWSPGOBXRNDQX-UHFFFAOYSA-N 225.238 3.681 30 20 BHED C[C@H]1[C@H](C)CCC[C@H]1Nc1cc(F)cc(C#N)c1 299933840 SQRSTDGGRJZHKZ-JRPNMDOOSA-N 246.329 3.934 30 20 BHED C=C(C)CN(CC)c1ccnc2ccsc12 301746450 YCSYOVHQDQYMCE-UHFFFAOYSA-N 232.352 3.699 30 20 BHED C=C(C)CN1CCSC[C@H]1c1ccc(C)cc1 303699660 WZONCOJKZKBHGN-HNNXBMFYSA-N 247.407 3.661 30 20 BHED C=CCC[C@@H](CCC)NCC1CC(F)(F)C1 310038677 WIDJYNQEDLYKQN-GFCCVEGCSA-N 231.330 3.756 30 20 BHED C=CCCCCN[C@H](C)c1cc(F)ccc1F 310351352 GYTWJRBQEWIINR-LLVKDONJSA-N 239.309 3.972 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)c1cnn(C)c1C 352930856 UQBYTKAVVUSIJS-QWHCGFSZSA-N 249.402 3.514 30 20 BHED C=CCCC1(C(=O)Nc2ccc(C)cc2)CC1 353308865 VNHDYTUECNTRNO-UHFFFAOYSA-N 229.323 3.680 30 20 BHED C=CCC[C@@H](C)NC[C@H](C)CC(F)(F)F 396913242 JLJIJLGLHCPDPM-NXEZZACHSA-N 223.282 3.519 30 20 BHED CC(C)(C)CCCNCc1ccc(C#N)c(F)c1 404095519 AMZHMDFMOZVSSU-UHFFFAOYSA-N 248.345 3.613 30 20 BHED N#CCCSCc1ccc(F)cc1Cl 413009523 CXXDNSLNIDFLOL-UHFFFAOYSA-N 229.707 3.626 30 20 BHED CC[C@H](NC1CCCCC1)c1ccc(C#N)cc1 447514059 ASKIFDXYVRYPMB-INIZCTEOSA-N 242.366 3.932 30 20 BHED CC#CCS[C@H](C)c1cccc(F)c1 464085533 BDNVASSDRZSUGJ-SNVBAGLBSA-N 208.301 3.643 30 20 BHED C=C(C)CCc1noc(C[C@@H](CC)C(C)C)n1 508607866 DLSLLRYUVHXKHH-GFCCVEGCSA-N 236.359 3.803 30 20 BHED N#Cc1cccc(NC[C@H]2C[C@@H]2c2ccccc2)c1 536147843 JJLQDPPIVHIBGG-NVXWUHKLSA-N 248.329 3.774 30 20 BHED C=CCCC[C@@H](C)NC(=O)C[C@H](CC)C(C)C 538328539 AXSXHIJOUKVDKI-KGLIPLIRSA-N 239.403 3.920 30 20 BHED C=C(CC)CSCc1cccc(C#N)c1 539095246 TXAFDOULACBPAX-UHFFFAOYSA-N 217.337 3.758 30 20 BHED N#CCN(CC1CCCCCC1)C1CCCC1 539822813 SYCKBSPWZWKLAZ-UHFFFAOYSA-N 234.387 3.725 30 20 BHED C=CCC(C)(C)CNC1CCC(F)(F)CC1 647212947 FKYJVXXIERKUKG-UHFFFAOYSA-N 231.330 3.756 30 20 BHED C=CCCCOC(=O)CCCC(C)(C)C 735534552 UJUPNUNTLUQPNV-UHFFFAOYSA-N 212.333 3.712 30 20 BHED CCCNN=C(CCC)CCc1ccccc1 740760546 FRDUWCANSSSWEL-UHFFFAOYSA-N 232.371 3.775 30 20 BHED CCCCCC[C@@H](C)NN=Cc1cccnc1C 743450833 RKOXKKULZLKCLQ-CYBMUJFWSA-N 247.386 3.672 30 20 BHED C=C(Cl)CN1CCC(C2CCCC2)CC1 743858754 RCPNEHYQKJBTQR-UHFFFAOYSA-N 227.779 3.641 30 20 BHED C=C(Cl)CN(C1CC1)[C@H]1CCc2ccccc21 747670397 VZOKFENUSMASNH-HNNXBMFYSA-N 247.769 3.891 30 20 BHED Cc1cc(F)ccc1C=NNc1ccccc1F 750931914 DLKFOFNJZJUUER-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C=CCC[C@H](C)OC(=O)c1cc2ccsc2[nH]1 772778395 QLBPLRUYEMJOBE-VIFPVBQESA-N 249.335 3.741 30 20 BHED Cc1cc(CN2CCCCCCC2)ccc1C#N 774821034 TUFAJJBHCNIHCX-UHFFFAOYSA-N 242.366 3.633 30 20 BHED CCCCCCCC[C@H](C)CC(=O)NC 775145367 YZNIHBBYGJZURE-LBPRGKRZSA-N 213.365 3.509 30 20 BHED CC(CCC(C)C)=NNc1cc(Cl)ccn1 777907462 VOAJUUILKWTCGR-UHFFFAOYSA-N 239.750 3.959 30 20 BHED C=CCCC(CC)=NNc1ccc2[nH]ncc2c1 779817836 UGBQIFGSTXMBEN-UHFFFAOYSA-N 242.326 3.707 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CCC[C@@H](CC)C1 779918086 QUFHGBCXEVANER-HUUCEWRRSA-N 249.398 3.655 30 20 BHED C[C@@H](NN=C/C=C/c1ccc(F)cc1)C(C)(C)C 793111538 IQPMJRFHGRTUKE-XPAVWNBDSA-N 248.345 3.849 30 20 BHED C[C@@H]1C(=NNCC2CCCC2)CCC[C@H]1C 808006082 OMEAJMVAFDFDNH-NEPJUHHUSA-N 222.376 3.578 30 20 BHED CC(CCc1cccc(C)c1)=NOC1CCC1 812238232 OISXHRVOQGHGIB-UHFFFAOYSA-N 231.339 3.873 30 20 BHED C(CCCCOc1ccccc1)=NOCC1CC1 814244228 JPJQCJOUTFLNCE-UHFFFAOYSA-N 247.338 3.648 30 20 BHED CO[C@@H](C(C)=NOCCC1CC1)c1ccccc1 814246786 FATDKPIZOBCLOA-HNNXBMFYSA-N 247.338 3.567 30 20 BHED CC(C)[C@@H]1CC(=NNc2ccccc2)CS1 814684203 HQRSPFLIEDKHAS-ZDUSSCGKSA-N 234.368 3.616 30 20 BHED Cc1ccc(NN=C2CS[C@@H](C(C)C)C2)cc1 814686784 AILDKUZJAINGIC-CQSZACIVSA-N 248.395 3.924 30 20 BHED CC[C@H](C)NN=C1CC[C@H](Cc2ccccc2)C1 814912797 AXYYNANADNDVCK-DZGCQCFKSA-N 244.382 3.773 30 20 BHED C=C(C)CON=CC1CCC(C(F)(F)F)CC1 844617730 AFKLWZNQEUQQCN-UHFFFAOYSA-N 249.276 3.934 30 20 BHED N#CCCCCSCCC1SCCS1 853797021 DBHHURYLCQIDJN-UHFFFAOYSA-N 247.454 3.610 30 20 BHED CC(CC1CCCC1)=NNc1cccc(C)n1 863160093 QPORAPXVEQPJGB-UHFFFAOYSA-N 231.343 3.758 30 20 BHED CCCCCCCOC(=O)CCC(C)(F)F 918493324 PCBZFCMTAPQJSI-UHFFFAOYSA-N 236.302 3.935 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@@H]1CCC 1120711206 NNYWCXCGBHZAKA-AWEZNQCLSA-N 235.371 3.546 30 20 BHED Cc1ccc2c(C=NOC(C)(C)C)c[nH]c2c1 1319803669 TZKGIHZHYAASNI-UHFFFAOYSA-N 230.311 3.625 30 20 BHED C=CCCCCCCNc1cccc(CC#N)n1 1326480461 MUBZSYQSCCLTHP-UHFFFAOYSA-N 243.354 3.696 30 20 BHED CC(C)(C)ON=Cc1ccc(C(F)F)cc1 1339659360 NBQIRKBWCSRSFF-UHFFFAOYSA-N 227.254 3.773 30 20 BHED C=C(Cl)CN1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 1617609997 BKLDVEOSMFMPDN-ZFWWWQNUSA-N 249.785 3.925 30 20 BHED C[C@H]1CC(CCN(C2CC2)[C@H](C)C#N)C[C@H](C)C1 1647257340 LFHCYJDQHNIQIZ-MGPQQGTHSA-N 248.414 3.825 30 20 BHED Cc1cc(S[C@H](C)C(F)(F)F)ccc1C#N 1656666457 GOWSQDYLGNAEJT-MRVPVSSYSA-N 245.269 3.910 30 20 BHED C#Cc1cccc(NCCCc2ccccc2)c1 20034466 RPJLPMGJNJJEFV-UHFFFAOYSA-N 235.330 3.713 30 20 BHED C=CCOc1ccccc1CN[C@@H]1CCC[C@H]1C 71206460 HMIVFEUPDKCFQD-UKRRQHHQSA-N 245.366 3.530 30 20 BHED C=CCCC(=O)Nc1cccc(C)c1Cl 73344591 VOHNFWBPXMGTGM-UHFFFAOYSA-N 223.703 3.553 30 20 BHED CC(C)c1ccc(OC[C@@H](C#N)CCC#N)cc1 119238321 OLBJSSNXWMLZQR-CYBMUJFWSA-N 242.322 3.632 30 20 BHED C#CCCCCC(=O)Nc1ccccc1CCC 119582953 KUCVXASUNBBVHX-UHFFFAOYSA-N 243.350 3.771 30 20 BHED C=CCCSc1nnc(-c2ccccc2C)o1 128543466 SCRXXJPDRHHNIB-UHFFFAOYSA-N 246.335 3.713 30 20 BHED C=CC[C@@H](C)N[C@H](CC)c1cccs1 161640776 WFEZAIHCZFMTBX-GHMZBOCLSA-N 209.358 3.753 30 20 BHED C#CCCCN[C@@H](CC)c1ccc(Cl)cc1 174274078 LHDUKUGZNZIXKV-AWEZNQCLSA-N 235.758 3.794 30 20 BHED CCCCCCC(=O)Nc1ccc(F)cc1C#N 177571551 KQQVTWRABYEROO-UHFFFAOYSA-N 248.301 3.606 30 20 BHED CCC(C)(CC)C(=O)Nc1cccc(C#N)c1C 185901347 BDAOGQKGCVSXJK-UHFFFAOYSA-N 244.338 3.632 30 20 BHED C=CCCCCCOc1ccccc1NC(C)=O 195387942 XJAGRFOOJLXXEJ-UHFFFAOYSA-N 247.338 3.770 30 20 BHED CCc1ccc(OCCC(C)(C)C#N)c(OC)c1 232342487 VEYGBGJQACEOPT-UHFFFAOYSA-N 247.338 3.576 30 20 BHED C[C@H](CCC#N)Sc1cccc(F)c1 298212105 GRYPIOCOONVTRI-SECBINFHSA-N 209.289 3.610 30 20 BHED CCCC[C@@H]1CCC[C@H]1Nc1ncccc1C#N 301158126 OEEWAUKGWLVDOJ-TZMCWYRMSA-N 243.354 3.724 30 20 BHED C=CCCCCN[C@@H](CC)c1ccccc1O 310421774 ZDMNWMMIOBFCFL-AWEZNQCLSA-N 233.355 3.789 30 20 BHED CC1(C)CCC(CNc2ccc(C#N)cn2)CC1 310919997 CIGLMZKYRZZNJO-UHFFFAOYSA-N 243.354 3.582 30 20 BHED C[C@@H](C#N)SCc1ccccc1C1CC1 341552708 LXUDERURHZGIIA-JTQLQIEISA-N 217.337 3.709 30 20 BHED C=CCCC1(C(=O)N[C@H]2CCC[C@@H](C)CC2)CC1 356969641 JVKQRQWPOZNULP-KGLIPLIRSA-N 249.398 3.818 30 20 BHED C=CCCCCNCc1cccc(OCC)c1 383412123 URTIWUQTDRHBDV-UHFFFAOYSA-N 233.355 3.531 30 20 BHED C=CC[C@@H](C)N[C@@H](C)[C@@H]1C[C@H]1c1cccs1 417309685 JTMPVOHKNFVCNB-MROQNXINSA-N 235.396 3.794 30 20 BHED CCC[C@H](N[C@H]1CCC[C@@H](C#N)C1)C(C)(C)C 449473621 RCEITLJWWQAZES-RDBSUJKOSA-N 236.403 3.873 30 20 BHED C=CCC1(CN[C@@H]2CCC[C@@H](C#N)C2)CCCC1 449603319 GCXZGJDDJVKSQU-HUUCEWRRSA-N 246.398 3.795 30 20 BHED C=CCC[C@H](CCC)NCC(C)(C)C(C)(C)O 449714868 AIFIIQCCHQNVPL-ZDUSSCGKSA-N 241.419 3.508 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc2c(c1)CCC2 467428892 UGEXXCGISUZEMS-MRXNPFEDSA-N 243.350 3.716 30 20 BHED N#Cc1cccc(N[C@@H]2CCC[C@H]2C2CC2)c1 468407762 JPBQTZPYYFTLEZ-LSDHHAIUSA-N 226.323 3.549 30 20 BHED C=CCCCCNC(=O)CC1(C)CCCCC1 471716164 NVOMJHHDUDFUFY-UHFFFAOYSA-N 237.387 3.819 30 20 BHED C=CCCC1(C(=O)Nc2cc(C)ccc2F)CC1 474437835 ZMDQZHIVHDSDTD-UHFFFAOYSA-N 247.313 3.819 30 20 BHED CCC[C@H](C(=O)Nc1ccc(C#N)cc1)C(C)C 484637475 KINYIUULCNUNOG-AWEZNQCLSA-N 244.338 3.569 30 20 BHED C=C(C)COc1cccc(NC2CCCC2)c1 535835609 GASBITURRCODQY-UHFFFAOYSA-N 231.339 3.996 30 20 BHED C=C(CC)CN1CCC(c2ccccc2)CC1 536882977 ZTCJAVGAXAJJMJ-UHFFFAOYSA-N 229.367 3.832 30 20 BHED CC1=CCC[C@H](C)[C@@H]1CN1CCC[C@@H](CC#N)C1 597176996 LFNHVOWVCNAMPK-HRCADAONSA-N 246.398 3.604 30 20 BHED CSc1ccc(CS[C@@H](C#N)C2CC2)cc1 601082493 HUWWGSPEVISJHQ-ZDUSSCGKSA-N 249.404 3.944 30 20 BHED Cc1ccc(F)c(CN(C)C[C@@H](C)CCC#N)c1 602634590 SRZNRZYGROFVBZ-ZDUSSCGKSA-N 248.345 3.506 30 20 BHED C=C(C)CN1CC[C@H](c2ccccc2)[C@H](C)C1 607752354 UAOOBIWCKVOFSA-ZBFHGGJFSA-N 229.367 3.688 30 20 BHED C=C[C@H](C)N[C@@H](C)CCc1c[nH]c2ccccc12 631589068 AKIGXKSXUBJKKH-STQMWFEESA-N 242.366 3.653 30 20 BHED C=C(C)CCN[C@@H](C)c1cc2ccncc2s1 658027503 MZFBUHZZAUTIKH-NSHDSACASA-N 246.379 3.913 30 20 BHED C[C@H]1CCCN(CCCCC2(C#N)CCC2)C1 675075433 OOAFYYKDGULOIH-AWEZNQCLSA-N 234.387 3.582 30 20 BHED C=CCN(Cc1ccccc1C1CC1)C1CC1 680481541 MQQLOIBTTYXBMC-UHFFFAOYSA-N 227.351 3.714 30 20 BHED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1ccccc1 695790218 HYAFUZUSXCMFTP-STQMWFEESA-N 230.355 3.666 30 20 BHED CC(C)[C@H]1CCCCC1=NOCc1cccnc1 746587945 GXYWCVVPVQTEFE-CQSZACIVSA-N 246.354 3.800 30 20 BHED CCON=C(C)c1ccc(SCC)cc1 755626875 CFIABBYQDLCCRR-UHFFFAOYSA-N 223.341 3.559 30 20 BHED CC[C@@H]1CCCC1=NNc1cc(F)cc(F)c1 758371882 GVFSXKKDEQWFRN-SECBINFHSA-N 238.281 3.943 30 20 BHED CCC1CCC(=NOC2CCCC2)CC1 774596261 AHPKXZNRBATSAC-UHFFFAOYSA-N 209.333 3.902 30 20 BHED C[C@H]1CCCC(=NOCCC(F)(F)F)[C@@H]1C 777458282 HKRABKSRJJKFQI-DTWKUNHWSA-N 237.265 3.768 30 20 BHED CC(C)C(=NOC1CCCCC1)C1CC1 777458841 KAHMTXXEJVWPOF-UHFFFAOYSA-N 209.333 3.758 30 20 BHED C[C@H]1C[C@H](C)CCC1=NOC1CCCC1 783858824 GJHLFKCYYSSDSC-MNOVXSKESA-N 209.333 3.758 30 20 BHED C[C@H]1CCCCC1=NNCC1(C)CCCC1 793084382 NJTBTQGKNYXOFH-LBPRGKRZSA-N 222.376 3.722 30 20 BHED CCCCNc1cc(C#N)ccc1NCCC 795267420 XWIUDYLEFWXUGK-UHFFFAOYSA-N 231.343 3.592 30 20 BHED CCCCCCCSCCO[C@H](C)C#N 802751659 OJAIRJSCKHBBMR-GFCCVEGCSA-N 229.389 3.619 30 20 BHED CC1(C)CCCC(=NOC/C=C/Cl)C1 811669359 ZIITYTCXRPMMPL-YQHBQRSUSA-N 215.724 3.712 30 20 BHED FC(F)(F)CNN=C1CCCCC12CCCC2 814904524 MWDOCTQRMBARCP-UHFFFAOYSA-N 248.292 3.629 30 20 BHED C=CCCCC(=O)OCC[C@]1(C)C[C@]1(F)Cl 822060829 XFQKCBYRSKJCNF-VXGBXAGGSA-N 248.725 3.591 30 20 BHED N#CCCCCCC(=O)OCCC1=CCCCC1 835721897 YRBRKLCTUCDYKO-UHFFFAOYSA-N 249.354 3.894 30 20 BHED N#CC1(CCOC(=O)C2CCCC2)CCCCC1 840010572 VSLGKBUIJLTXRS-UHFFFAOYSA-N 249.354 3.584 30 20 BHED C(=NOCC[C@H]1CCc2ccccc21)C1CC1 853736067 KNMQGBJDPKCQCW-CQSZACIVSA-N 229.323 3.519 30 20 BHED C=CCN(C(=O)CCC1CCCCC1)C(C)C 914683108 GHGVMPZZIMRCNK-UHFFFAOYSA-N 237.387 3.770 30 20 BHED C[C@H](C=NNc1ccc(C#N)cc1)c1ccccc1 915963001 RTXCUOFYAVAESC-CYBMUJFWSA-N 249.317 3.760 30 20 BHED CC(=NNc1cc(C)ccc1C)c1ccccn1 916346046 TTZQIHAVCZJZGN-UHFFFAOYSA-N 239.322 3.535 30 20 BHED N#Cc1cccc(SC2CCSCC2)c1 917178958 GHAGGLKUKXQCFE-UHFFFAOYSA-N 235.377 3.546 30 20 BHED C=C[C@H](CC)CC(=O)N1C2CCCC1CCC2 933585946 RESPPVKZJAMBKR-IYXRBSQSSA-N 235.371 3.522 30 20 BHED Cc1ccc(NN=C2CC(C)C2)cc1Cl 1261235266 MVGHAHQJNHOSBV-UHFFFAOYSA-N 222.719 3.846 30 20 BHED C=C[C@](C)(CC)C(=O)N1CC[C@@H]2CCCC[C@H]2C1 1338724906 WVYBXAFFMYJRKV-OFQRWUPVSA-N 249.398 3.627 30 20 BHED C=C(CC(C)C)C(=O)Nc1ccc(F)cc1F 1345490648 FHDZFTICNGOIKX-UHFFFAOYSA-N 239.265 3.506 30 20 BHED N#Cc1ccc(Oc2ccc(Cl)c(F)c2)nc1 120629449 MBFMKFJEHQPYMB-UHFFFAOYSA-N 248.644 3.538 30 20 BHED C=CCC[C@@H](C)Nc1cc(NC(C)=O)ccc1C 130665972 GWNWKULTAOYZKU-GFCCVEGCSA-N 246.354 3.720 30 20 BHED N#Cc1ccc(C(=O)/C=C/c2cccs2)s1 134497711 VDQDSHQUHKDYEH-HWKANZROSA-N 245.328 3.577 30 20 BHED C=C[C@H](C)N[C@@H]1C[C@H](C)Sc2sccc21 157239178 MEMDXQGCIQAXPL-ATZCPNFKSA-N 239.409 3.838 30 20 BHED C[C@@H]1CN(CC(C)(C)CCC#N)c2ccccc21 180675953 FYZIRFSKCNKEIC-CYBMUJFWSA-N 242.366 3.940 30 20 BHED CC(C)(C#N)CCCCN1CCC[C@@H]2CCC[C@@H]21 232530977 WAWRHHFFJVGOBW-GJZGRUSLSA-N 248.414 3.971 30 20 BHED N#Cc1c(F)cccc1Oc1ccc(Cl)nc1 301781420 SRWMVQFXIQXMFH-UHFFFAOYSA-N 248.644 3.538 30 20 BHED C[C@@H]1CCCC[C@]1(C=O)C/C=C/Cl 306459262 DSMVETFFUQCFGV-FVCIQNSBSA-N 200.709 3.524 30 20 BHED Cc1cc(C#N)cc(N[C@H]2CCC[C@H](C)C2)c1 308101680 HWGJZDNLSZKEBK-FZMZJTMJSA-N 228.339 3.857 30 20 BHED C=CCC[C@@H](NCC(CC)CC)C1CC1 308899690 AZUZXGSPGQKYLA-CQSZACIVSA-N 209.377 3.757 30 20 BHED CC(C)C[C@@H](C)C[C@H](C)NCC(C)(C)C#N 309599011 JLIGOYWWDMMJKD-OLZOCXBDSA-N 224.392 3.587 30 20 BHED CCC#C[C@H](C)N[C@@H](C)c1cc(C)sc1C 309653025 YHGXHSVTVBOWDH-JQWIXIFHSA-N 235.396 3.817 30 20 BHED Cc1cc(S[C@H]2CC[C@@H](C#N)C2)ccc1C#N 335468787 DAQKDOIYYZPZIN-RISCZKNCSA-N 242.347 3.651 30 20 BHED C=CCCCCC[C@@H](C)N[C@H](CC)CC#N 381370530 ICZGVMUROVIMRF-ZIAGYGMSSA-N 222.376 3.793 30 20 BHED C=C(C)CN[C@]1(c2ccc(Cl)cc2)C[C@@H]1C 381464364 KSNOYNBLOAXSBT-SMDDNHRTSA-N 235.758 3.741 30 20 BHED CC[C@@H]1CCCC[C@H]1OCCCCCC=O 390507210 XGDYFXCYLBUGOR-ZIAGYGMSSA-N 226.360 3.731 30 20 BHED C=CCCCCCCNCc1ncc(C)s1 394734212 QBZHLLCUXFEYQW-UHFFFAOYSA-N 238.400 3.678 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccncc1Cl 421862578 XIMAOPUYTCVSMQ-GHMZBOCLSA-N 238.762 3.740 30 20 BHED C=CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccco1 424317275 BQQDFEWYLXQAIF-MJBXVCDLSA-N 244.338 3.569 30 20 BHED CC[C@H](N[C@@H]1CC[C@H](C#N)C1)C1CCCCC1 424326498 LWFVGLAPSJYNOS-CFVMTHIKSA-N 234.387 3.627 30 20 BHED CC(C)=CCN(C)[C@@H](C)c1cccc(C#N)c1 425366342 PKEZJGQZZUEQEX-ZDUSSCGKSA-N 228.339 3.517 30 20 BHED CC[C@@H]1CCC[C@H]1NCc1ccc(C#N)c(C)c1 443999227 CALRZNXMSQZTCQ-GDBMZVCRSA-N 242.366 3.535 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 467857029 UNPAZUMGVMUDSM-KYEXWDHISA-N 237.387 3.530 30 20 BHED C=C[C@H](C)N[C@@H]1CC(C)(C)c2cc(OC)ccc21 474039985 WTTLSCLCQWIYJF-XHDPSFHLSA-N 245.366 3.582 30 20 BHED C=C[C@@H]1CCCCN1C(=O)Nc1cccc(C)c1 485590062 KNKGYFKAECIAEW-CQSZACIVSA-N 244.338 3.567 30 20 BHED Cc1cc(C)cc(/C=C\c2ncccc2C#N)c1 486102312 MIYNTMUVBHEVLT-WAYWQWQTSA-N 234.302 3.741 30 20 BHED C=C(C)COc1cccc(OC(F)(F)F)c1 488215782 WYSMUVLMBHBVRE-UHFFFAOYSA-N 232.201 3.540 30 20 BHED CC(C)=CCC[C@H](C)NC[C@@H](C)CCC#N 602678572 GHJHRIDXQJHYGE-KBPBESRZSA-N 222.376 3.651 30 20 BHED C=CC1CCN(Cc2cc3ccccc3[nH]2)CC1 684023352 ZJCVCTCOXVIIEK-UHFFFAOYSA-N 240.350 3.566 30 20 BHED C=CCc1ccccc1OCc1cccnc1C 685579008 OQFHZSRJRIXDPQ-UHFFFAOYSA-N 239.318 3.698 30 20 BHED CCc1ccc(C=NOCc2ccccc2)s1 731151873 RCNRASBYPBHBMQ-UHFFFAOYSA-N 245.347 3.861 30 20 BHED CCCCCCCCCc1nc(CC)no1 731793650 ZYCZIDZONRUHEL-UHFFFAOYSA-N 224.348 3.925 30 20 BHED C(=NNc1ccccc1)c1coc2ccccc12 746557694 JRLCCJNGFCETTQ-UHFFFAOYSA-N 236.274 3.879 30 20 BHED C=CC[C@@H](N[C@H]1CCC(C)(C)C1)c1ccncc1 753669723 NJIUBCGQAOBJQO-LSDHHAIUSA-N 244.382 3.867 30 20 BHED CC[C@H](C)C=NNc1ccc2ccccc2n1 755488835 RARFRIUXLQAFGR-NSHDSACASA-N 227.311 3.679 30 20 BHED CCC[C@H](C)C(CC)=NNc1ccc(OC)cn1 780268470 JSKBJUJXNXOWBD-NSHDSACASA-N 249.358 3.704 30 20 BHED C=C(C)COc1cccc2ccc(Cl)nc12 786753362 MORPAFYNPAYSCC-UHFFFAOYSA-N 233.698 3.843 30 20 BHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1cccc(F)n1 795009292 ZLAQYWAMXAMNMO-VXGBXAGGSA-N 247.317 3.611 30 20 BHED C[C@H]1CC[C@H](C=NNc2ncccc2Cl)C1 800810815 VQVPBGJCOXUCMO-UWVGGRQHSA-N 237.734 3.569 30 20 BHED CC(C)CCC(=NNc1ccccn1)C1CC1 802705384 GPSFOSTYBIVACQ-UHFFFAOYSA-N 231.343 3.696 30 20 BHED C(CC1CCCCCC1)=NOCC1CC1 814243826 PACDAKITYGHHMW-UHFFFAOYSA-N 209.333 3.759 30 20 BHED CC(CCC1CCCC1)=NOCC1CC1 814245107 RSGDVFYKJWXOGB-UHFFFAOYSA-N 209.333 3.759 30 20 BHED C=C(CC)CSCc1ccc(C(=O)O)s1 833369799 FLWRHLWLESFJSF-UHFFFAOYSA-N 242.365 3.646 30 20 BHED CCCCCCCNC(=O)C12CCC(CC1)C2 862357794 HDRLUYKKJIZYRY-UHFFFAOYSA-N 237.387 3.653 30 20 BHED CCC(CCc1ccccc1)=NN[C@H](C)CC 863107265 JTRWHPRQPCFPQZ-CYBMUJFWSA-N 232.371 3.773 30 20 BHED C=CCC[C@@H](C)Nc1ccc(OC)c(COC)c1 866499426 KZNFHZFXEGKNEI-GFCCVEGCSA-N 249.354 3.608 30 20 BHED Cc1oc2ccccc2c1[C@H](C)NCCCC#N 926132627 MSXFOLFUOCUQLC-NSHDSACASA-N 242.322 3.696 30 20 BHED C[C@H](CCC#N)S[C@@H]1CCOc2ccccc21 1188942290 RKEZXMAKUNUSOV-BXUZGUMPSA-N 247.363 3.936 30 20 BHED Cc1ccc(C(=O)/C=C\c2cccc(O)c2)cc1 34953952 NRYGWJPWGQMUIQ-YFHOEESVSA-N 238.286 3.597 30 20 BHED CC[C@H](C)Sc1ccc(C#N)cc1F 36886979 KAYWASVTDFYEDQ-QMMMGPOBSA-N 209.289 3.588 30 20 BHED CC(C)CN(Cc1ccccc1C#N)CC(C)C 41636061 ATPIWIHJYPSPTD-UHFFFAOYSA-N 244.382 3.672 30 20 BHED CCN(Cc1cccs1)c1ccc(C#N)cc1 42227497 CUABVOGJZOWQPZ-UHFFFAOYSA-N 242.347 3.646 30 20 BHED CC(C)CN(CCCC(C)(C)C#N)CC(C)C 87608519 PNKGMOIEGXQLNP-UHFFFAOYSA-N 238.419 3.930 30 20 BHED C[C@H](C=O)C(c1ccccc1)c1ccccc1 89556439 BNDURPQXTFHCMS-CYBMUJFWSA-N 224.303 3.654 30 20 BHED Cc1ccc(/C=C2/Cc3ccccc3C2=O)s1 97993020 VTUIMBPHFUKCJQ-XFXZXTDPSA-N 240.327 3.879 30 20 BHED N#CCCCN(c1ccccc1)C1CCCC1 108872483 LWCLXYPFISTGEI-UHFFFAOYSA-N 228.339 3.739 30 20 BHED CCCCCCCCCN[C@@H](C)[C@@H]1CCOC1 128615054 DJSNTWMAEASOPR-LSDHHAIUSA-N 241.419 3.752 30 20 BHED CCN(CCC(C)(C)C#N)Cc1cccc(F)c1 157434926 DGEDRFAPXIBKTH-UHFFFAOYSA-N 248.345 3.587 30 20 BHED CCC[C@H](C)C(=O)O[C@H](C)c1ccc(C#N)cc1 175789776 ITVBOSKBZBSLDO-NWDGAFQWSA-N 245.322 3.599 30 20 BHED CC[C@@H](NC1(CC)CC1)c1ccc(C#N)cc1 296651566 YWCHSASIRNBKAN-CQSZACIVSA-N 228.339 3.542 30 20 BHED C=CCCC[C@H](C)N[C@H](CC)c1nccs1 336749370 YUNCGQIKHFDOSS-NWDGAFQWSA-N 238.400 3.929 30 20 BHED CCC[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 341759935 WOMHNRNWXVNYQI-MLGOLLRUSA-N 242.366 3.714 30 20 BHED CCN(CCC#N)[C@H]1CCc2ccc(Cl)cc21 343542058 UFFHMRBOXBBURX-AWEZNQCLSA-N 248.757 3.563 30 20 BHED C[C@H]1CCC[C@@H](CSCC2(C#N)CC2)C1 344474660 XOSUISXWLPRDJU-NWDGAFQWSA-N 223.385 3.850 30 20 BHED Cc1ccc(F)cc1/C=C\c1ccncc1C#N 349102873 BMNLAIZHDBLNFJ-ARJAWSKDSA-N 238.265 3.571 30 20 BHED CC[C@H]1CCC[C@H]1Nc1ncc(C#N)cc1Cl 362560062 KCYNZDFVZNJWHM-CMPLNLGQSA-N 249.745 3.597 30 20 BHED C=C(C)CN[C@@H](c1ccc(F)cc1)C(C)C 390373305 WPOKLTXLYYTJNE-CQSZACIVSA-N 221.319 3.689 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)Cc1ccccc1F 393793969 NUXSOQCKHAUNFR-GXTWGEPZSA-N 235.346 3.701 30 20 BHED C=CCC[C@H](CC)N[C@H](C)[C@@](C)(OC)C1CC1 414224740 AYZSJOIXWDFHTG-VHDGCEQUSA-N 239.403 3.524 30 20 BHED C[C@@H](NCCCC#N)c1ccc(C2CC2)cc1 419339631 MFZRTSNTRPLKRF-GFCCVEGCSA-N 228.339 3.518 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccncc1Cl 421862602 XIMAOPUYTCVSMQ-QWRGUYRKSA-N 238.762 3.740 30 20 BHED C=CC(C)(C)CN[C@H](C)CCc1ccsc1 449486907 VWVWOXATUGPABA-GFCCVEGCSA-N 237.412 3.871 30 20 BHED CC1=CCC[C@@H](C)[C@@H]1CNCC(C)(C)CC#N 459730467 MPIYATZSODDWOF-ZIAGYGMSSA-N 234.387 3.508 30 20 BHED C=CCC1(C(=O)N(C)[C@@H](C)C(C)C)CCCC1 459954110 OPNXUHOEUCOGSY-ZDUSSCGKSA-N 237.387 3.626 30 20 BHED CCC1CCC(CN[C@@H]2CCC[C@H](C#N)C2)CC1 463281375 HCKDYGPQBCZDHC-SSHXOBKSSA-N 248.414 3.875 30 20 BHED C=CCCCCN[C@@H]1CCc2c(OC)cccc21 471598408 WTTFMPODEOAPNG-OAHLLOKOSA-N 245.366 3.628 30 20 BHED C=CC[C@@H](C)NC(=O)CC1CCC(C)(C)CC1 503462291 BVJKMDRBVQTOCV-GFCCVEGCSA-N 237.387 3.674 30 20 BHED C=CCC(C)(C)C(=O)N1CCCC2(CCCC2)C1 504623444 YXBQTSNOWVITNZ-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=C(C)CCN1CCSC[C@H]1c1ccccc1 509639821 FANKLBBHFWDBMU-HNNXBMFYSA-N 247.407 3.743 30 20 BHED C=CCN(CC=C)C(=O)[C@H]1CC[C@H](C(C)C)CC1 509641883 VDMNWRJYAOYUSF-SHTZXODSSA-N 249.398 3.649 30 20 BHED C=CCCCSCc1ccccc1[N+](=O)[O-] 522757379 DHDJPQWPXCQTRX-UHFFFAOYSA-N 237.324 3.794 30 20 BHED C=CCCCN(C)C/C(C)=C\c1ccccc1 536678395 WLQNZNLHCQSIOX-SQFISAMPSA-N 229.367 3.988 30 20 BHED C=CCCC[C@@H](C)NC(=O)Nc1cccc(C)c1 538284472 ZGEFRVDZQWWRLS-CYBMUJFWSA-N 246.354 3.861 30 20 BHED C=CCCCC[C@H](C)NC1Cc2ccccc2C1 553102908 MPXKEFDXXZMDHQ-AWEZNQCLSA-N 243.394 3.878 30 20 BHED CC[C@H](CC#N)NC/C=C/c1ccc(Cl)cc1 555162965 CJZINWKMPZVHRV-RDFMZFSFSA-N 248.757 3.635 30 20 BHED CC#CCN1CCCCC[C@@H]1c1ccc(C)o1 607735338 IJZHSIJKGJQTDJ-CQSZACIVSA-N 231.339 3.528 30 20 BHED C=CC[C@@H](CC)NC(=O)c1ccc(C2CC2)cc1 614396966 UQEZDCDMMPKZFD-OAHLLOKOSA-N 243.350 3.649 30 20 BHED C=CCc1ccccc1OC(=O)OC(C)(C)C 731148315 CGWZOVWGYZADRV-UHFFFAOYSA-N 234.295 3.729 30 20 BHED CCC(=NNc1cc(F)c(F)cc1F)C(C)C 734302626 IICFBVVIFFDCMB-UHFFFAOYSA-N 244.260 3.938 30 20 BHED C[C@H]1C[C@H]1C=NNc1ccc(C(F)(F)F)cc1 746576057 KQFHPMAEEHVMMC-IUCAKERBSA-N 242.244 3.759 30 20 BHED Fc1cc(NN=C2CCCC2)ccc1Cl 747636251 XDLPGXLRQXCJQY-UHFFFAOYSA-N 226.682 3.821 30 20 BHED CC[C@H](C)C=NNc1cccc(C(F)(F)F)n1 755740708 VUQKMOIDCLTYGQ-QMMMGPOBSA-N 245.248 3.544 30 20 BHED CC(C)C(=NOCC(F)F)C1CCCCC1 758904361 VCMFLTFEOODKDO-UHFFFAOYSA-N 233.302 3.860 30 20 BHED C#CCCCN[C@@H](CCC)CCc1ccccc1 766223794 SZHDLEIPFRIISY-KRWDZBQOSA-N 243.394 3.791 30 20 BHED CC#CCCCC(=O)O[C@H](C)c1cccc(C)c1 767091903 QQXRJYZTVAQSPA-CQSZACIVSA-N 244.334 3.793 30 20 BHED CCCCCCOc1ccc(C=NOC)cc1 767478560 XXOWDAFZMKJFQN-UHFFFAOYSA-N 235.327 3.626 30 20 BHED C=C(Cl)CSCc1ccc(N(C)C)cc1 783512730 MCGOJAVIBCZDPZ-UHFFFAOYSA-N 241.787 3.738 30 20 BHED C=CCN(C(=O)[C@H]1CCCC[C@@H]1CC)C(C)C 793417110 JOAKRAKQMWEIQK-KBPBESRZSA-N 237.387 3.626 30 20 BHED CCCCCCCCCN(C)Cc1cnc[nH]1 796460015 ZGSLGFDRTFNZGU-UHFFFAOYSA-N 237.391 3.592 30 20 BHED CC(=NOCCC1CC1)c1cccc(C)c1C 814246497 PBOXRIPEKNGMHM-UHFFFAOYSA-N 231.339 3.844 30 20 BHED C#C[C@H](OC(=O)C(C)(C)CC=C)c1ccccc1 842364401 WHMLVXZDTWOQIM-AWEZNQCLSA-N 242.318 3.506 30 20 BHED C=CCN(CCCc1ccccc1)C(C)C 917069350 NYIHVTDFXKPSJY-UHFFFAOYSA-N 217.356 3.516 30 20 BHED COc1ccc([C@@H](C)C(C)=NOC(C)(C)C)cc1 1319583974 QSIRDJDKJOHXST-NSHDSACASA-N 249.354 3.990 30 20 BHED C=C(C)CCC(=O)N(CC)c1ccccc1F 1339495159 FERQGTULRODAQT-UHFFFAOYSA-N 235.302 3.535 30 20 BHED C=CCOc1cccc(NC(=O)/C(C)=C/CC)c1 56998453 VGRBXBAMALPPSA-KPKJPENVSA-N 245.322 3.546 30 20 BHED C=CCCCNc1cccc2c1CCCC2 70591283 HLHBHYYGOXPEJV-UHFFFAOYSA-N 215.340 3.944 30 20 BHED CCCCCCCNC(=O)c1ccccc1F 103785420 QJYXVGDNMHUVFG-UHFFFAOYSA-N 237.318 3.526 30 20 BHED Cc1ccc(/C=C2/Cc3ccccc3C2=O)cc1 104375199 WLZONYIZJHARTN-GDNBJRDFSA-N 234.298 3.817 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1cnc(C)s1 133077187 HSCNZUKKSSJHSL-GHMZBOCLSA-N 238.400 3.847 30 20 BHED C=CCCC(=O)COc1cc(C)ccc1Cl 134639926 LRGFJNUZTSZDGD-UHFFFAOYSA-N 238.714 3.563 30 20 BHED C=C[C@@H](C)N[C@H](CCC)c1ccccc1 157216793 RCMWTAIQOSMYOF-TZMCWYRMSA-N 203.329 3.692 30 20 BHED C=CCCCC(=O)NC[C@@H](C)c1cccc(C)c1 175748405 QOOQMLGUADFGHD-CQSZACIVSA-N 245.366 3.571 30 20 BHED N#C[C@@H]1CCC[C@H](Nc2ccccc2Cl)C1 185735024 LPURGCUOVGDLDX-MNOVXSKESA-N 234.730 3.834 30 20 BHED C=CC[C@@H](C(=O)NCC(C)(C)C)c1ccccc1 187082229 RMXXIYIAHYYQEB-CQSZACIVSA-N 245.366 3.509 30 20 BHED C=C[C@@](C)(CC)c1nc(Cc2ccccc2)no1 191161840 OPSFBQAWTHIIIQ-HNNXBMFYSA-N 242.322 3.514 30 20 BHED C=C(CN[C@H]1CCCC1(C)C)c1ccccc1 211893400 AJEIXEUVKHBQFS-HNNXBMFYSA-N 229.367 3.868 30 20 BHED Cc1cccc(C)c1[C@@H](C)OC(=O)CCCC#N 291687647 JMLHCSACAUHVLK-CYBMUJFWSA-N 245.322 3.602 30 20 BHED Cc1nc(NCC(C(C)C)C(C)C)ccc1C#N 311188026 CYUVHLKPYXRVIN-UHFFFAOYSA-N 245.370 3.602 30 20 BHED CSCCCSCc1cccc(C#N)c1 320649870 WLUXLHVOZOKUKS-UHFFFAOYSA-N 237.393 3.545 30 20 BHED CCC[C@@H](NCc1cc(C#N)cs1)C1CCC1 324790920 JVSWZBIIKWSYLP-CQSZACIVSA-N 248.395 3.678 30 20 BHED CCCN(CC(C)C)CC(C)(C)CCC#N 351606659 FYJKRBXWYAITHK-UHFFFAOYSA-N 224.392 3.684 30 20 BHED C=C(Cl)CSCc1cccc(F)c1 379359363 YGGHAZKXXOHFGR-UHFFFAOYSA-N 216.708 3.811 30 20 BHED C=CC[C@H](CC)NC(=O)c1ccc(C(C)C)cc1 410131568 SCCCATMICVHONO-HNNXBMFYSA-N 245.366 3.895 30 20 BHED C[C@H](N[C@H](C)CCC#N)[C@H](C)C1CCCCC1 411512038 ADXOTZJJCRRNGV-RDBSUJKOSA-N 236.403 3.873 30 20 BHED C=CCN(C)C[C@@H](CCC)c1ccccc1 428372513 LNZXYXPRCRGTCT-OAHLLOKOSA-N 217.356 3.688 30 20 BHED CC[C@@H](F)CN[C@@H](CCCC#N)c1ccccc1 433024465 CXSSZXJJGGJXCI-CABCVRRESA-N 248.345 3.759 30 20 BHED C=CCN(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 441346224 NDBUALLEAFXGKJ-CVEARBPZSA-N 229.367 3.749 30 20 BHED N#CCc1cccc(N[C@@H]2CCC[C@H]2C2CC2)c1 449697266 LHUCGKKJDGVRBW-JKSUJKDBSA-N 240.350 3.743 30 20 BHED C=CCC1(C(=O)N[C@@H](C)[C@H](C)CC)CCCC1 449805453 PGLMIWXUDGWAEW-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C=CCOc1ccc(CN(CC)C(C)(C)C)cc1 474158692 GHFUZEHGMIZAMT-UHFFFAOYSA-N 247.382 3.872 30 20 BHED C=C(C)CN(C)[C@@H]1CCc2c(Cl)cccc21 481289148 UFFHDEBKZXUHGJ-CQSZACIVSA-N 235.758 3.835 30 20 BHED C=CCN(C(=O)[C@H]1CC[C@H](C)C1)c1ccccc1 538449516 CUIRBXHFNNJMKR-KBPBESRZSA-N 243.350 3.642 30 20 BHED C=CCCCN1CC[C@H](c2cccc(C)c2)C1 543253615 QNGGUYQUUNYAHF-INIZCTEOSA-N 229.367 3.751 30 20 BHED C=C[C@@H]1CCCCN1C[C@H]1CCC2(CCCC2)O1 554840960 KOYUSBGTUCBACT-HUUCEWRRSA-N 249.398 3.519 30 20 BHED C=CCCCCN[C@H](CC)c1nc(C)cs1 565698273 NIZUJRUDNUDEDL-GFCCVEGCSA-N 238.400 3.849 30 20 BHED C[C@H](CCC#N)N1CCC(C2CCCC2)CC1 591015967 ZJZUGFXOJYTEMX-CYBMUJFWSA-N 234.387 3.581 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@H](CC=C)C1 617782861 NZJYYDNNPLJVEU-AWEZNQCLSA-N 247.382 3.570 30 20 BHED C=CCCN[C@@H](CC)CCc1ccccc1 624012201 UDMBDEDDFOGVLL-HNNXBMFYSA-N 217.356 3.564 30 20 BHED C=CCCN[C@H](c1ccc(C)o1)C1CCC1 658112880 AFIJHUWXBNTHHB-AWEZNQCLSA-N 219.328 3.595 30 20 BHED N#Cc1ccc(SCCCCCCCO)cc1 742451267 UQJRTNRRXWOMJZ-UHFFFAOYSA-N 249.379 3.593 30 20 BHED Cc1cc(C)cc(/C=C/C(=O)c2cscn2)c1 769264962 OPINFICPILANKC-ONEGZZNKSA-N 243.331 3.656 30 20 BHED CCCCCCN1CCCC(C)(C)[C@@H]1C#N 769892911 KREPXZSQBICFHZ-ZDUSSCGKSA-N 222.376 3.581 30 20 BHED CCCCCC=NNc1nccnc1C(C)C 773086459 RFOXHKGROXOHAT-UHFFFAOYSA-N 234.347 3.578 30 20 BHED C#CCCCN[C@@H](C)c1ccccc1OC(C)C 774982121 OQSHAEOSSWKYBY-AWEZNQCLSA-N 245.366 3.538 30 20 BHED CCCCCCCC[C@@H](C)CC(=O)NC 775145349 YZNIHBBYGJZURE-GFCCVEGCSA-N 213.365 3.509 30 20 BHED C#C[C@H](C)NC(=O)[C@@H](CCC)CC1CCCCC1 775386099 PCPNCVNELOXFHT-ZFWWWQNUSA-N 249.398 3.511 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)c1ccc(C)o1 775922917 FVTHNQFVJYZPJQ-YPMHNXCESA-N 249.354 3.553 30 20 BHED C=C(C)CNC(=O)C[C@@H](C)CCCCCC 779068684 AUZZDGIYWIUXRT-ZDUSSCGKSA-N 225.376 3.675 30 20 BHED C=CCCCCCN1CCC[C@H]1c1cc(C)on1 785631122 WQROKZOTUWKPEV-HNNXBMFYSA-N 248.370 3.866 30 20 BHED COc1cc(NN=C2CCCC2)ccc1Cl 788468372 UUOHVJPGYSFXSU-UHFFFAOYSA-N 238.718 3.691 30 20 BHED C[C@H](C=NNc1ccccc1[N+](=O)[O-])C(C)(C)C 800803927 PJKKINIAPPGNLD-SNVBAGLBSA-N 249.314 3.675 30 20 BHED C=CCCCCCCCCNC(=O)N(C)CC 805136660 MOZNSYPITOQOFF-UHFFFAOYSA-N 240.391 3.564 30 20 BHED C=CCCCCCCNC(=O)C[C@@H]1C=CCC1 805218624 HOUOZCKIPAPWMK-CQSZACIVSA-N 235.371 3.595 30 20 BHED C=CCCCCCCNC(=O)/C=C\c1ccco1 805220525 VHWWNACQCILIGC-KHPPLWFESA-N 247.338 3.546 30 20 BHED CC(=NOC1CCC1)c1ccc(Cl)cc1 812237981 JIDHPWVKVUWOJC-UHFFFAOYSA-N 223.703 3.633 30 20 BHED C[C@@H]1C(=NOCCC2CC2)CCC[C@H]1C 814245849 KKVKIEYEPPUXFY-MNOVXSKESA-N 209.333 3.615 30 20 BHED Cc1cc(F)ccc1NN=C1CC(C)(C)C1 814885170 PUNILSGGUVWJCD-UHFFFAOYSA-N 220.291 3.722 30 20 BHED C=CCCCCCCN[C@@H](C)[C@@]1(C)CCCO1 815625725 KWBKMFHYDABDTN-LSDHHAIUSA-N 239.403 3.670 30 20 BHED CCCC(=NNc1ccc(F)cn1)C1CCCC1 834955833 IKTKSSPLUYUWKV-UHFFFAOYSA-N 249.333 3.979 30 20 BHED CCCON=C(C)c1cc(C)sc1C 842566230 YBMXOUPREJQYPH-UHFFFAOYSA-N 211.330 3.516 30 20 BHED Fc1ccc(C=NOCc2cccc(F)c2)cc1 852158077 RGMAVYOQJIMDLB-UHFFFAOYSA-N 247.244 3.516 30 20 BHED C=C(C)C(C)(C)c1nc(-c2ccc(C)cc2)no1 904570686 VZXYGQBZQPAYBG-UHFFFAOYSA-N 242.322 3.899 30 20 BHED CCCCCCCC(=O)OCc1nccs1 917953525 ZMMRBWMSQHCVRQ-UHFFFAOYSA-N 241.356 3.547 30 20 BHED C=CCC[C@@H](C)OC(=O)/C=C(\C)c1ccco1 1347230859 JEBOAHIRDFGJDM-HCRIHEDKSA-N 234.295 3.581 30 20 BHED N#Cc1cccc(CSc2ccc(F)cc2)c1 19847612 ZKTRYQXZUXDHNM-UHFFFAOYSA-N 243.306 3.990 30 20 BHED CCC(CC)(CC)NCCCC(C)(C)C#N 83641156 OVSKNVSYMCFERN-UHFFFAOYSA-N 224.392 3.875 30 20 BHED Cc1cc(C)cc(N(C)CCC(C)(C)C#N)c1 87595495 WCKKJONJPQELQU-UHFFFAOYSA-N 230.355 3.680 30 20 BHED C=C[C@@H](N)c1ccc(Cl)c(C(F)(F)F)c1 95643371 UERVRKCIWXTVLP-SECBINFHSA-N 235.636 3.545 30 20 BHED C=CCNc1nc(-c2ccc(CC)cc2)cs1 104769550 UOWQUXRMKQHKQP-UHFFFAOYSA-N 244.363 3.970 30 20 BHED CN(CC1CCCC1)c1cc(Cl)ccc1C#N 110845547 NPGYCRHANPSIJP-UHFFFAOYSA-N 248.757 3.838 30 20 BHED O=C(/C=C/c1ccc2ncccc2c1)c1ccco1 118993812 SVPRFPYBXVXJAY-SOFGYWHQSA-N 249.269 3.724 30 20 BHED C[C@H]1CCC[C@H](Sc2cccnc2C#N)C1 130903223 MPXFTBQJRVOEGS-QWRGUYRKSA-N 232.352 3.624 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1cncs1 133078240 UUIAINXZRFULDG-GHMZBOCLSA-N 224.373 3.539 30 20 BHED C=C(Cl)CN[C@H]1CCSc2ccccc21 135834018 BSBRTTAALXQFGP-NSHDSACASA-N 239.771 3.566 30 20 BHED CC(C)(CCC#N)CN1CCCCCCC1 158969491 CTAIPMMMKBLJHT-UHFFFAOYSA-N 222.376 3.582 30 20 BHED N#CCCCCSCc1ccc(F)c(F)c1 161128850 IMKRQXZUUIDHDP-UHFFFAOYSA-N 241.306 3.892 30 20 BHED C=CCCCN(C)[C@@H](C)Cc1ccccc1OC 174035201 YMNUYZSPGMHZKI-AWEZNQCLSA-N 247.382 3.524 30 20 BHED C=C(C)CCNc1cccc(OCCCC#N)c1 288746820 QBSQICOMJJTFOE-UHFFFAOYSA-N 244.338 3.747 30 20 BHED C=CC(C)(C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 295349555 QGGNRJIETSWYQJ-CHWSQXEVSA-N 245.366 3.507 30 20 BHED Cc1cccc(CSC[C@@H](C#N)CCC#N)c1 295752755 ACUVZNDOQXILFD-CQSZACIVSA-N 244.363 3.672 30 20 BHED C=CCC[C@H](N[C@@H](C)[C@H](C)OC)c1ccccc1 358343333 SRNLWPKFJUZVCC-DZKIICNBSA-N 247.382 3.707 30 20 BHED C=CCCCCCCNc1ncccc1C#N 383943261 HNDJAOVNLXTXCU-UHFFFAOYSA-N 229.327 3.502 30 20 BHED C=CC(C)(C)CNCc1ccc(C(F)F)cc1 385036810 MHYAOYJFKBVTEP-UHFFFAOYSA-N 239.309 3.926 30 20 BHED C=CC[C@H](CC)NCc1cc2ccccc2o1 393739644 AVFUJFQFPZTWCM-ZDUSSCGKSA-N 229.323 3.877 30 20 BHED N#CCCC1CCN([C@@H]2C=CCCCCC2)CC1 399294569 QKCLNFZXDNRJBN-MRXNPFEDSA-N 246.398 3.891 30 20 BHED C=CCC[C@H](NC[C@H](C)CC(F)(F)F)C1CC1 414289908 WKKPXKHDUKZOPP-PWSUYJOCSA-N 249.320 3.909 30 20 BHED CC[C@@]1(C)CCN([C@@H](C)c2cccc(C#N)c2)C1 442680927 OHJBDTCHIWVSGG-BBRMVZONSA-N 242.366 3.741 30 20 BHED C=CCCCC[C@@H](C)N[C@H]1CCC[C@H]1F 449345319 VGJZXUYXMVKVBZ-UPJWGTAASA-N 213.340 3.602 30 20 BHED C=CCC1(C(=O)N[C@H]2CCC(C)(C)C2)CCCC1 450356541 WIFQBNKWAJAUFL-ZDUSSCGKSA-N 249.398 3.818 30 20 BHED CC[C@@H](C)[C@H]1CCCCN1CC1(C#N)CCC1 450428164 HGJXFBFNZBTMAR-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED C=C(CC)CNC(=O)C[C@@H](CC)c1ccccc1 456828442 MCTPQCCCFSHWHQ-CQSZACIVSA-N 245.366 3.653 30 20 BHED C=C[C@](C)(CC)C(=O)NCC(C)(C)C1=CCCC1 457176591 GOUIBPJFEHCSLJ-MRXNPFEDSA-N 249.398 3.841 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccccc1N(C)C 467407996 VRJMXCMWSCOOPT-UONOGXRCSA-N 246.398 3.758 30 20 BHED CC(C)CCN(CC1(C#N)CC1)C1CCCC1 501546438 FGLWFMUPWSKLEX-UHFFFAOYSA-N 234.387 3.581 30 20 BHED CCCC1CCC(N(CC#N)C(C)C)CC1 507802173 RXKGCKTWMFQJJP-UHFFFAOYSA-N 222.376 3.579 30 20 BHED C=CCN(C(=O)CC1CCC(C)(C)CC1)C1CC1 537934074 XEYJAHZCKLULCI-UHFFFAOYSA-N 249.398 3.770 30 20 BHED C=C(CC)COc1cccc2ncccc12 538000488 QDWQPIZKGMBOFO-UHFFFAOYSA-N 213.280 3.580 30 20 BHED C=CCC(C)(C)c1noc(C[C@H](C)CC)n1 551137395 YESVVFOTHYEHKG-SNVBAGLBSA-N 222.332 3.512 30 20 BHED C[C@H](N[C@@H]1CC[C@@H]1C)c1ccc(C#N)cc1Cl 560573396 YEARMRBVTWNZNF-PKFCDNJMSA-N 248.757 3.661 30 20 BHED CC(C)N(CCC#N)Cc1cccc2ccoc12 562647309 JOFIVEOQMWSFND-UHFFFAOYSA-N 242.322 3.557 30 20 BHED C=CCCc1ccccc1NC(=O)C[C@@H]1C[C@H]1C 564506684 RJZQADPHUYHIPU-OCCSQVGLSA-N 243.350 3.790 30 20 BHED C=CCCCCCN[C@@H](C)c1cc(C)ccn1 567290935 PSGBSILWUYKYNX-AWEZNQCLSA-N 232.371 3.787 30 20 BHED C=CCC(CC=C)C(=O)NCCC(C)(C)C1CC1 570001895 JPHUSGJEBCDIDL-UHFFFAOYSA-N 249.398 3.697 30 20 BHED C=CCN(C(=O)C1CC(C)(C)C1)c1ccccc1 583955905 JRWPGCHMBIWJLZ-UHFFFAOYSA-N 243.350 3.642 30 20 BHED C=CCN(CC=C)CCC1CCCCC1 642243059 RUQACFPLVIXWHA-UHFFFAOYSA-N 207.361 3.631 30 20 BHED C=CCC1(NC(=O)[C@H]2CC23CCC3)CCCCC1 654021102 UZYXZPMJMKAXFN-CYBMUJFWSA-N 247.382 3.572 30 20 BHED C=CCCC(C)(C)NCc1sc(C)nc1C 717893866 KYNYLABFPQBDGL-UHFFFAOYSA-N 238.400 3.594 30 20 BHED CCCCNN=C1CCC[C@@H]1CCCC 727255923 STESERGZOWVAKU-LBPRGKRZSA-N 210.365 3.722 30 20 BHED Cc1cccc2c1C/C(=C/c1cccs1)C2=O 729149298 DAZNSNSUKZUOIY-FLIBITNWSA-N 240.327 3.879 30 20 BHED CC(=NNc1nccc2sccc12)C1CCC1 747632993 JWKOREPUWCPLIT-UHFFFAOYSA-N 245.351 3.884 30 20 BHED CC(C[C@@H](C)CC(C)C)=NOCC(F)F 758899220 HPEUWDMBWLQOTP-VIFPVBQESA-N 221.291 3.716 30 20 BHED C#CCCN(Cc1ccsc1)c1ccccc1 764232582 JVUHNJMGPHHKHP-UHFFFAOYSA-N 241.359 3.778 30 20 BHED C(=NOC1CCCCC1)[C@H]1C[C@H]2CC[C@H]1C2 777456881 IEYWTBDOIXVKGC-RWMBFGLXSA-N 221.344 3.758 30 20 BHED CC(CCC1CCCCC1)=NN=c1cc[nH]cc1 779809609 LIPWSDZJNVVZRW-UHFFFAOYSA-N 245.370 3.652 30 20 BHED C=C(C)COC(=O)C1(c2ccccc2C)CCC1 788190544 WRRPIFUMWRUUGV-UHFFFAOYSA-N 244.334 3.536 30 20 BHED CCCCCCCCSCc1nc(C)no1 790553878 YVVDZVHPFKCDPU-UHFFFAOYSA-N 242.388 3.972 30 20 BHED CCCC[C@@H](C)C(C)=NNc1cc(C)nc(C)n1 807963893 OGHKFELZZQIDCM-SNVBAGLBSA-N 248.374 3.708 30 20 BHED CC[C@H]1C[C@@H](C)CCC1=NOC1CCC1 812238367 TZVFJBYKYVAOFD-QWRGUYRKSA-N 209.333 3.758 30 20 BHED C=CCCCC[C@H](C)NCCc1ccc(N)cc1 817958412 VMFMOPCQDQDWDW-AWEZNQCLSA-N 246.398 3.536 30 20 BHED CC[C@H](C)CC=NNc1cccc(OC)c1 834934365 QCSZFNFAAUETBJ-NSHDSACASA-N 220.316 3.529 30 20 BHED C=C(C)CCC(=O)NC[C@H](C)c1cccc(C)c1 1338868487 NSFGLYGOJSGLCF-AWEZNQCLSA-N 245.366 3.571 30 20 BHED CCCCCCCOc1ccccc1CO 59088021 AKCCGQYFLQZLAQ-UHFFFAOYSA-N 222.328 3.528 30 20 BHED N#Cc1csc(CNc2ccc(Cl)cc2)c1 86573556 YRWSGBIYEWMSLO-UHFFFAOYSA-N 248.738 3.885 30 20 BHED N#Cc1csc(CNc2ccccc2Cl)c1 86573561 UXTNRUPNQTUILL-UHFFFAOYSA-N 248.738 3.885 30 20 BHED CC[C@@H](C)C[C@@H](C)Nc1cccc(F)c1C#N 90795428 UYYQZLYJNHRDLH-GHMZBOCLSA-N 234.318 3.934 30 20 BHED CCCCCCC[C@@H](C)NCCSC 111871818 RJBZJRHDBFBREN-GFCCVEGCSA-N 217.422 3.688 30 20 BHED Cc1ccoc1C(=O)/C=C/c1ccc(Cl)nc1 119008828 XCHDEZOUAYDKCJ-DUXPYHPUSA-N 247.681 3.533 30 20 BHED C=C(C)CN[C@H](c1ccccc1C)C1CC1 124637907 KOJAIZNNDWMIFP-HNNXBMFYSA-N 215.340 3.612 30 20 BHED C=CCCCCCN(C)Cc1ccc(C#N)s1 127770597 GAMJYVJJGHQXIL-UHFFFAOYSA-N 248.395 3.798 30 20 BHED C=CC[C@H](C)N[C@@H]1CCCc2ccc(OC)cc21 163341385 LSENGBZAMLPSEB-BLLLJJGKSA-N 245.366 3.627 30 20 BHED C=CCCCC(=O)Nc1ccc(C)cc1C 175082371 CGGYGQMXXWVICN-UHFFFAOYSA-N 217.312 3.598 30 20 BHED C=CCC1(C(=O)Nc2ccccc2F)CCC1 190290101 JNTNZGRHGVSLDO-UHFFFAOYSA-N 233.286 3.511 30 20 BHED C=CCSCCN[C@H](C)c1ccc(C)cc1C 221936529 SEFSDESRUFYXCU-CQSZACIVSA-N 249.423 3.873 30 20 BHED CCCCCSCCOc1ccc(C#N)cc1 227528802 MLTQJOWRBPPKSE-UHFFFAOYSA-N 249.379 3.860 30 20 BHED CCCC[C@H](Nc1cccc(C#N)n1)C1CCC1 301864728 UUUKJUVHAKNRKH-AWEZNQCLSA-N 243.354 3.724 30 20 BHED C=C(Cl)CN1CCC[C@](C)(c2ccccc2)C1 303585119 LDHNIRHZZAUOND-HNNXBMFYSA-N 249.785 3.793 30 20 BHED C=CCCCOc1ccc(Cl)cc1F 308511057 BYUFQMIHJUKKJQ-UHFFFAOYSA-N 214.667 3.824 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1nc(C)sc1C 309688756 IJETUCMCAFAGSJ-SKDRFNHKSA-N 238.400 3.765 30 20 BHED C=C(C)CCNCc1cccc(Cl)c1F 387412930 MKGPKNJMPIXJIK-UHFFFAOYSA-N 227.710 3.535 30 20 BHED C=CCCCC[C@@H](C)Nc1ccc(CCO)cc1 449045326 GBIQJPLBQLARCM-CQSZACIVSA-N 247.382 3.768 30 20 BHED C=CCC1(C(=O)N2CCCC[C@H](C)C2)CCCC1 450723209 GZSBGEWDOZLIGH-AWEZNQCLSA-N 249.398 3.772 30 20 BHED CC#CCSC1CCC(C(F)(F)F)CC1 451038122 SIBAVTHNPPKAIU-UHFFFAOYSA-N 236.302 3.864 30 20 BHED C=C(C)CCN[C@@H](C1CCCC1)C1CC1 453316586 KJMQPNGRNZEFHI-AWEZNQCLSA-N 207.361 3.511 30 20 BHED C=CCC(C)(C)C(=O)N[C@H]1C[C@]1(CC)C(C)C 457244473 UMZUZFKOIVQKPQ-SWLSCSKDSA-N 237.387 3.530 30 20 BHED CC#CCCSc1ccc2ccccc2n1 462384134 NNGJRVZJHIVKQP-UHFFFAOYSA-N 227.332 3.740 30 20 BHED C=CCCCCNC(=O)Nc1ccccc1CC 473495551 DPESKVONFRBOEV-UHFFFAOYSA-N 246.354 3.727 30 20 BHED C=C(C)CN(Cc1ccc(F)cc1)CC1CC1 523760651 DXSIOAYDIYUCTK-UHFFFAOYSA-N 233.330 3.614 30 20 BHED C=C(C)COc1ccc(OCC(F)(F)F)cc1 540038392 WKGBXOVQPNDWRC-UHFFFAOYSA-N 246.228 3.583 30 20 BHED C=CCCSCCCc1ccccc1OC 549558407 FRWJFKDOWOACJI-UHFFFAOYSA-N 236.380 3.937 30 20 BHED C=CCCCCn1ccc2oc(CC)cc2c1=O 566221206 YWIXWWAJSRPHHN-UHFFFAOYSA-N 245.322 3.513 30 20 BHED C=CCCOc1cccc2c(C)cc(C)nc12 568885464 DCZFCTPDSBJLKS-UHFFFAOYSA-N 227.307 3.807 30 20 BHED C=CCCOC(=O)C[C@H](C)c1ccccc1C 734965146 HZBRSLHINCGTNP-ZDUSSCGKSA-N 232.323 3.608 30 20 BHED C=C(C)CON=C(c1ccccc1)C(F)(F)F 751955485 KSGKICVIDIXSPZ-UHFFFAOYSA-N 243.228 3.546 30 20 BHED CCCCCCCCNC(=O)C[C@H](C)SC 757162130 DCODGQJTWQZKBN-LBPRGKRZSA-N 245.432 3.605 30 20 BHED COc1cccc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)c1 762418782 SWWKHCNUYZAWTN-AVGNSLFASA-N 244.338 3.529 30 20 BHED C=CCC(CC=C)C(=O)OC/C(Cl)=C\Cl 764007437 LQZWMFFDMVVBGU-JXMROGBWSA-N 249.137 3.617 30 20 BHED C#CC[C@H](N[C@H](C)[C@@H](C)CC)c1ccccc1 773117093 UAJHGUPQGJIXJB-LZWOXQAQSA-N 229.367 3.775 30 20 BHED C#CCCCN[C@H](C(=C)C)c1ccc(F)c(F)c1 775723760 MLFRYFJJPRXLPU-OAHLLOKOSA-N 249.304 3.585 30 20 BHED C#CCCN(CC)C[C@@H](CC)c1ccccc1 775893574 BJPOWVYPDICXSH-OAHLLOKOSA-N 229.367 3.525 30 20 BHED C#CC[C@H](NCC(CC)CC)c1ccccc1 776251958 FPUDVAKHXGUUNU-INIZCTEOSA-N 229.367 3.777 30 20 BHED C=CCCCC[C@@H](C)NCc1ccccc1O 779106536 OZVWUSHFNZSRLF-CYBMUJFWSA-N 233.355 3.617 30 20 BHED C#CCCCCCC(=O)N1CCC[C@@](C)(CC)C1 780591586 VEIQVZJHAMDRBM-MRXNPFEDSA-N 249.398 3.609 30 20 BHED C[C@H](NN=C1CCC[C@@H]1CCCF)C(C)(C)C 793113520 GAFBBFWZIGLHNH-NWDGAFQWSA-N 242.382 3.916 30 20 BHED CC(=NNc1cccc(Cl)n1)c1ccccc1 793162462 SLRGRJQGTIUJKM-UHFFFAOYSA-N 245.713 3.571 30 20 BHED CC(C)(C)CCNN=C1CCC[C@@H]1CCCF 800815938 UPHVXAVGGFGWBC-GFCCVEGCSA-N 242.382 3.918 30 20 BHED Cc1cccc(NN=C2CC[C@H](C)C2)c1 814687651 PMRGLEGUMAFMJF-NSHDSACASA-N 202.301 3.583 30 20 BHED C(=NOC1CCCCC1)c1ccc2oncc2c1 814910567 WZIISZRYUGTBPL-UHFFFAOYSA-N 244.294 3.511 30 20 BHED CCC(=NOC1CCCCC1)c1ccncc1 834971309 CDWWVQGFZDKGJV-UHFFFAOYSA-N 232.327 3.545 30 20 BHED C=CC[C@H](CC)NC(=O)c1ccccc1C(C)C 847104771 ORTIJQDXTVALCK-ZDUSSCGKSA-N 245.366 3.895 30 20 BHED C=C(Cl)CSCCSC(C)C 853783592 MSILNGWLYNUFPS-UHFFFAOYSA-N 210.795 3.614 30 20 BHED C=C[C@@H](C)ON=C[C@H](C)c1ccc(C)cc1 863124122 QZTAXWFZEUUJDM-QWHCGFSZSA-N 217.312 3.675 30 20 BHED C[C@@H]1CCC[C@H](/N=C\c2ccccc2O)[C@@H]1C 920943155 PRXUNVZSNPXTGN-OQIDHAMOSA-N 231.339 3.636 30 20 BHED CC(C)CNc1ccc(C(F)(F)F)cc1C#N 36926880 GSLXSDKTHWBAEA-UHFFFAOYSA-N 242.244 3.645 30 20 BHED CCCCCCCCN(CC)C(C)(C)C(=O)O 112168060 IWXIJWLTQSJUCR-UHFFFAOYSA-N 243.391 3.532 30 20 BHED C#CCCCCC(=O)Oc1ccccc1C(C)C 120378796 HJHRGTWAHZBQFT-UHFFFAOYSA-N 244.334 3.909 30 20 BHED C=C[C@@H](CC(=O)NC(C)(C)CC)c1ccccc1 129263472 DJOICQQNXALHGL-ZDUSSCGKSA-N 245.366 3.651 30 20 BHED C[C@H]1CCC[C@@H](CNCC(C)(C)CCC#N)C1 174301606 FDDYDJFWBGIHHR-UONOGXRCSA-N 236.403 3.732 30 20 BHED N#Cc1ccc(/C=C/C(=O)C2CCCCC2)s1 176405072 BTYSKRKRQHLSLL-CMDGGOBGSA-N 245.347 3.782 30 20 BHED C=CCCCC(=O)N[C@H]1CCCc2sccc21 186180214 GJIZHSPJJOJHDF-LBPRGKRZSA-N 249.379 3.598 30 20 BHED N#C[C@@H]1CC[C@@H](Sc2ccccc2F)C1 278510242 DYZTWJWUVZSSCS-NXEZZACHSA-N 221.300 3.610 30 20 BHED C=CCCCCCCN[C@H](C)c1cscn1 286912859 FCONSIKWORYGIT-GFCCVEGCSA-N 238.400 3.930 30 20 BHED C=CCCCOc1ccc(F)c(Cl)c1 303656071 GETBJNAKVUGHPI-UHFFFAOYSA-N 214.667 3.824 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1cc(C)oc1C 310032971 RSICMPDLYKNFIP-WCQYABFASA-N 221.344 3.902 30 20 BHED CSC(C)(C)CCNc1cccc(CC#N)c1 313414366 YGHCYZZDZBHLDI-UHFFFAOYSA-N 248.395 3.696 30 20 BHED C#C[C@H](NCc1cscc1Cl)C(C)(C)C 380159477 BCQRZTYSEPQVBY-NSHDSACASA-N 241.787 3.539 30 20 BHED C=CCCCCC[C@H](C)N[C@@H](C)CSC 380222745 JPISWBVZRAWEJN-STQMWFEESA-N 229.433 3.853 30 20 BHED CC1=C(C)CN(c2ccc(Cl)cc2C#N)CC1 382993796 GKERLBIXGVPOQM-UHFFFAOYSA-N 246.741 3.758 30 20 BHED C=CC(C)(C)CN[C@H](C)c1cccc(F)c1F 385030533 KOEALQHUGYUOOD-SNVBAGLBSA-N 239.309 3.828 30 20 BHED C=C(C)CCN[C@H](CC)c1ccc2c(c1)CCO2 386761865 IOFAFVPSVOARNT-OAHLLOKOSA-N 245.366 3.628 30 20 BHED CCCCCCCN[C@@H](C)c1cscn1 394473444 ZDRIIMUGGUNBMD-NSHDSACASA-N 226.389 3.764 30 20 BHED C=CC[C@H](Cc1ccccc1)NC1CC(C)C1 414299779 KCSMXVQQODMPKP-OGVSOVDVSA-N 229.367 3.562 30 20 BHED N#CC1(CSCC2=CCCCC2)CCC1 419594047 JALKFEZOCMZWQO-UHFFFAOYSA-N 221.369 3.914 30 20 BHED C=CCCC(=O)N(C)C/C(C)=C\c1ccccc1 427224959 MZEXRCBMVSXXNP-OWBHPGMISA-N 243.350 3.515 30 20 BHED CC(C)CC1(CN[C@@H]2CC[C@@H](C#N)C2)CCCC1 442783155 PKJRUHYKTHZAMX-HUUCEWRRSA-N 248.414 3.875 30 20 BHED C=CC[C@@H](C)NC(=O)C1(CC=C)CCCCC1 449892665 ZUOQYCSNDCZZCF-CYBMUJFWSA-N 235.371 3.594 30 20 BHED C=CCCCCCN(C)C(=O)[C@@]1(C)CC=CCC1 449966403 GXRIDKCCGSEIIR-INIZCTEOSA-N 249.398 3.938 30 20 BHED Cc1ccccc1SCC1(C#N)CCC1 450812881 TXQWTONEKKQKFM-UHFFFAOYSA-N 217.337 3.781 30 20 BHED C=CCCCCCNc1cc(CO)ccc1C 453136282 WPXGACAGVXOPKN-UHFFFAOYSA-N 233.355 3.646 30 20 BHED C=CC[C@H](CC)N[C@H]1C[C@@H](OC(C)C)C1(C)C 467411053 LZYGZMYLLKHNPL-MELADBBJSA-N 239.403 3.523 30 20 BHED C=CC[C@H](CC)Nc1ncnc2scc(C)c12 505715803 ZFQRHNMNGOKEAA-JTQLQIEISA-N 247.367 3.766 30 20 BHED C=C(C)CCN1CCC[C@H]1c1cccc(OC)c1 509849985 YEYKREKZYWIKHT-INIZCTEOSA-N 245.366 3.798 30 20 BHED C=CCCCN1CCCC[C@@H]1[C@@H](C)CC 525327911 NTFMYZHAWNMVPE-UONOGXRCSA-N 209.377 3.853 30 20 BHED C=C[C@](C)(CC)c1nc(-c2cscc2C)no1 685375960 BJUYSCDXFWBUAY-CYBMUJFWSA-N 248.351 3.960 30 20 BHED C[C@H](CC(C)(C)C#N)Nc1cccc(F)c1 695788976 BHCYCZVKCAFZSI-SNVBAGLBSA-N 220.291 3.566 30 20 BHED C[C@H]1CCCC1=NNc1cccc(Cl)c1 729140291 AEDWYDLKZYLSCK-VIFPVBQESA-N 222.719 3.928 30 20 BHED CC(=NNc1ccccc1[N+](=O)[O-])C1CCCC1 733077606 FEAJQUNIQYNAAV-UHFFFAOYSA-N 247.298 3.573 30 20 BHED Cc1cc(F)ccc1NN=Cc1ccsc1 750945346 GKAIDNNGVFHZDF-UHFFFAOYSA-N 234.299 3.642 30 20 BHED Cc1cc(C)cc(NN=Cc2nc(C)cs2)c1 755564007 IBBPBECCXAEMQO-UHFFFAOYSA-N 245.351 3.514 30 20 BHED CC[C@H](C)C=NNc1ncccc1C(F)(F)F 755643108 NPGJSJZTPSDDQA-QMMMGPOBSA-N 245.248 3.544 30 20 BHED CC(=NO[C@@H]1CCCCO1)c1cc(C)cc(C)c1 755822779 UOTFOFMWGMTAHF-OAHLLOKOSA-N 247.338 3.571 30 20 BHED C#CCCCC(=O)Oc1ccc(C2CCC2)cc1 759174420 WTLUEPRLVLTQBW-UHFFFAOYSA-N 242.318 3.663 30 20 BHED Cc1ccnc(NN=Cc2cc(C)sc2C)c1 760260107 KJVXXYBALDPPOT-UHFFFAOYSA-N 245.351 3.514 30 20 BHED CCCCCCCCOC(=O)c1oncc1C 768602149 SMXBXFXPIJBZHE-UHFFFAOYSA-N 239.315 3.500 30 20 BHED C=CCN(Cc1cc(F)cc(Cl)c1)C(C)C 777219968 CHOQVQFFLDDLRG-UHFFFAOYSA-N 241.737 3.876 30 20 BHED CC[C@H]1CCCCC1=NOCCC(F)(F)F 777456195 SFUCAXNQQDCRSV-VIFPVBQESA-N 237.265 3.912 30 20 BHED C#CCCCCCC(=O)N[C@H]1CCC[C@H](CC)C1 779918085 QUFHGBCXEVANER-GJZGRUSLSA-N 249.398 3.655 30 20 BHED CCC(C[C@H](C)CC)=NNc1ccnc(F)c1 781126445 BGTZNIZIEJOTRO-SNVBAGLBSA-N 237.322 3.835 30 20 BHED C=CCC1(C(=O)OC/C(Cl)=C/Cl)CCC1 791557291 AWICLRJDBZGOOL-CLFYSBASSA-N 249.137 3.595 30 20 BHED C[C@@H](NN=C1CCC2(CC1)CC2)C(C)(C)C 793115894 PZJQMNICRBIAGD-LLVKDONJSA-N 222.376 3.721 30 20 BHED CC[C@@H](C)CON=C1CCC2(CCCO2)CC1 793159293 MMXXFZKNQPHWML-PUODRLBUSA-N 239.359 3.528 30 20 BHED C[C@@H](NN=C1CCC[C@H]1CCF)c1ccccc1 794900681 BBLRSEDSAYIZAD-OCCSQVGLSA-N 248.345 3.853 30 20 BHED CC[C@@H]1CC[C@@H](C)CC1=NNc1ccccn1 797399897 IDKMZQMLFFAREF-VXGBXAGGSA-N 231.343 3.696 30 20 BHED CC(=NOC(C)C)c1ccc2cc(O)ccc2c1 835001223 WKMUYEWRGYSPLO-UHFFFAOYSA-N 243.306 3.694 30 20 BHED CCCCCCCCC(=O)N1CC[C@@H]2C[C@H]2C1 856059342 QODYIEHUAHIGCH-KGLIPLIRSA-N 237.387 3.605 30 20 BHED CC(C)=CCCC(C)=NNc1cccc(C)n1 863160109 RAHOWNXNVPQGBU-UHFFFAOYSA-N 231.343 3.924 30 20 BHED N#CCC1(CSCCCC2CC2)CC1 865287515 CPGJQTTXPUEFEG-UHFFFAOYSA-N 209.358 3.604 30 20 BHED F[C@@H]1CCCC1=NNc1ccc2ccccc2n1 872327803 LEFRPWLKWQGULR-LLVKDONJSA-N 243.285 3.525 30 20 BHED C[C@H](CCC#N)CN1Cc2cccc(Cl)c2C1 877530354 SUUDZUMTXAWLBB-LLVKDONJSA-N 248.757 3.595 30 20 BHED CC(=NNc1ccc(F)c(F)c1)C1CCC1 901317264 ISYAJOGFNJHADC-UHFFFAOYSA-N 224.254 3.553 30 20 BHED Cc1c(Cl)cnc(N[C@@]2(C)CC2(C)C)c1C#N 1307171913 YAFAGWJYMLKPJA-ZDUSSCGKSA-N 249.745 3.516 30 20 BHED C=C(CC)C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 1346246600 IOUXILATYZQLON-DGCLKSJQSA-N 247.338 3.545 30 20 BHED CC1CC(CN(C)[C@H](C)c2cccc(C#N)c2)C1 1460278410 NHBXCJMWLIZSBK-JVWICGRDSA-N 242.366 3.597 30 20 BHED CC[C@H](CC#N)N[C@H](C)c1ccc(Cl)cc1 49525555 RTARJKILVWUDEP-ZWNOBZJWSA-N 236.746 3.683 30 20 BHED CC[C@@H]1CCC[C@@H](NCc2cccc(C#N)c2)C1 83640191 FQVXAWDRGZQDIP-CZUORRHYSA-N 242.366 3.617 30 20 BHED C[C@@H]1CCC[C@H](NCCCC(C)(C)C#N)[C@@H]1C 87597190 JGNQGJZJPBVTDO-MCIONIFRSA-N 236.403 3.731 30 20 BHED Cc1ccoc1C(=O)/C=C/c1c(F)cccc1F 119026930 PCTIJQPZIZCUMX-AATRIKPKSA-N 248.228 3.762 30 20 BHED Cc1cc(C)cc([C@@H](C)NCC(C)(C)C#N)c1 122229554 PZWPIXHCDOIZIE-CYBMUJFWSA-N 230.355 3.504 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1sc(CC)nc1C 129609620 PJXIHXZPRGYZTI-NXEZZACHSA-N 238.400 3.629 30 20 BHED C=C(Cl)C[S@](=O)[C@H](CC)c1ccccc1 172845777 RKNAZIDJNSIFTN-DOMZBBRYSA-N 242.771 3.639 30 20 BHED C=C(Cl)C[S@](=O)[C@H](C)c1cccc(C)c1 172851293 YVCQZANWKRTQFV-ABAIWWIYSA-N 242.771 3.557 30 20 BHED C=C(C)CN(C)C(=O)CC[C@H](C)c1ccccc1 180425275 HZTMNNLNLZZDIS-AWEZNQCLSA-N 245.366 3.605 30 20 BHED C=C(Cl)COc1ccc2ccccc2c1 205113285 IBTYBGXVBKCNTP-UHFFFAOYSA-N 218.683 3.971 30 20 BHED C[C@H]1CCCC[C@H]1NCCCCC(C)(C)C#N 235579728 ORRICSDPUKSMHD-UONOGXRCSA-N 236.403 3.875 30 20 BHED CCC1(CC)CCN([C@H]2CC[C@@H](C#N)C2)CC1 335928899 XONROOYUQZEZSL-KGLIPLIRSA-N 234.387 3.581 30 20 BHED C[C@H]1CCC[C@@H](C)N(Cc2ccccc2C#N)C1 353936506 ZEJZCAZKAZFPTE-UONOGXRCSA-N 242.366 3.569 30 20 BHED CCc1ccc(CNc2cccc(C#N)c2C)o1 354799642 VXQNANSPDCRKKM-UHFFFAOYSA-N 240.306 3.634 30 20 BHED C=CC[C@H](C)NC(=O)C1=C(C)CC(C)(C)CC1 449892337 YPHGKKYROOOEBD-LBPRGKRZSA-N 235.371 3.594 30 20 BHED CC[C@H](C)C[C@H](CC)NCC(C)(C)CC#N 459736258 UIYSNWUXTYWEFK-STQMWFEESA-N 224.392 3.731 30 20 BHED CC[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@@H](C#N)C1 463297976 AGNRZQNWKPLGJH-KBXIAJHMSA-N 234.387 3.627 30 20 BHED C=CCCN(C)C(=O)C[C@@H]1CCCCC1(C)C 466641275 RZOLHNROEMOHCI-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C=CCCCC(=O)NCC[C@@H](C)CC(C)(C)C 468080046 PXOIHCZKGNMLAX-CYBMUJFWSA-N 239.403 3.921 30 20 BHED C=C(C)CN(C)[C@H](c1ccccc1)C(C)C 497361724 DVTDRZJEIZBLHY-HNNXBMFYSA-N 217.356 3.892 30 20 BHED C=C(C)CN(CC)Cc1ccc([C@@H]2C[C@H]2C)o1 505877851 XGPAWPNLSOATPZ-TZMCWYRMSA-N 233.355 3.801 30 20 BHED C=C(C)CCN(C1CC1)[C@H](C)[C@@H](C)CC 509650017 GTSHAJYYEZKTFV-QWHCGFSZSA-N 209.377 3.852 30 20 BHED N#CC1(COc2cc(F)cc(Cl)c2)CCC1 530118422 DHXKYHXAUXXHKL-UHFFFAOYSA-N 239.677 3.552 30 20 BHED CCOc1ccc(C#N)cc1N[C@H]1CCC[C@H]1C 543624417 NVPZNJYKHIKWKV-YPMHNXCESA-N 244.338 3.557 30 20 BHED CC[C@@H]1CCCC[C@H]1c1noc(C(C)(C)C#N)n1 551533539 AAMHKWXKRCVEAL-GHMZBOCLSA-N 247.342 3.555 30 20 BHED C=CCN(CC(=C)CC)Cc1ccc(OC)cc1 560927441 MRFLOADYMFCOPJ-UHFFFAOYSA-N 245.366 3.649 30 20 BHED CCCC[C@@H](C)N(C)Cc1ccc(C#N)c(C)c1 582091662 CXDYARXAPIRIRA-CQSZACIVSA-N 244.382 3.877 30 20 BHED C=CCOc1cccc(CN[C@H](CC)CCC)c1 591710995 YMKABMPOANPGHR-OAHLLOKOSA-N 247.382 3.920 30 20 BHED C=CCCN[C@H]1CC(C)(C)c2cc(OC)ccc21 658113900 JHYNZEGKVAZMMK-HNNXBMFYSA-N 245.366 3.583 30 20 BHED C=CCCC(=O)OCCCC1CCCCC1 726496915 QJMHXRLNGOXPBV-UHFFFAOYSA-N 224.344 3.856 30 20 BHED CCCCCCCCC(=O)N=c1cc[nH]cc1C 730565966 KXPALMNNBXQCDX-UHFFFAOYSA-N 248.370 3.501 30 20 BHED C=CCCCC(=O)Oc1cc(C)ccc1C 748664298 GHLHTKJEDHRAPH-UHFFFAOYSA-N 218.296 3.565 30 20 BHED C=CCC(CC=C)C(=O)NC[C@H](C)C(C)(C)C 758485789 DNZVSRNFEZZXDD-LBPRGKRZSA-N 237.387 3.553 30 20 BHED C=CCC(C)(C)C(=O)Oc1cc(C)ccc1C 796730674 HBZSKDYVANHXAR-UHFFFAOYSA-N 232.323 3.811 30 20 BHED CC(=NOC/C=C/Cl)c1ccc(C)s1 811671961 YQXKKFLILXDZJK-FXNCSQIRSA-N 229.732 3.550 30 20 BHED C[C@H](C=NOC1CCC1)CCc1ccccc1 812235033 IRAUOAOMXIDITH-ZDUSSCGKSA-N 231.339 3.810 30 20 BHED c1ccc([C@@H]2CCCC2=NOCC2CC2)cc1 814241081 DBXHVJSJMBTZHK-AWEZNQCLSA-N 229.323 3.737 30 20 BHED C1CC[C@H](ON=C2CCCC23CCCC3)OC1 814888170 YOLNMQVVDHMVMT-ZDUSSCGKSA-N 237.343 3.630 30 20 BHED C[C@@H](NN=C1CC(c2ccccc2)C1)C(C)(C)C 814937961 SQQZIBWBVFUEGB-PUODRLBUSA-N 244.382 3.944 30 20 BHED C[C@H](NN=C1CCC[C@H](C)[C@H]1C)c1ccncc1 819816983 TYTSZEFWDWOPPY-XQQFMLRXSA-N 245.370 3.544 30 20 BHED CC(C)(CC#N)CN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 839163431 MBOCVDXTUNJBJK-RRFJBIMHSA-N 248.414 3.875 30 20 BHED CC(C)(F)CC/N=C/c1cc(Cl)ccc1O 849171991 JYFRULGJLYEUNA-OVCLIPMQSA-N 243.709 3.603 30 20 BHED C=C1CCC(C(=O)N2CCCC[C@@H]2CC)CC1 887582051 RCPHIOVEJFHTCO-AWEZNQCLSA-N 235.371 3.524 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1ccccc1C 929128158 MWWHSYOZSJGFSU-LBPRGKRZSA-N 217.312 3.536 30 20 BHED CCC(=NOC(C)(C)C)c1ccc(N(C)C)cc1 1319685358 QKBJRSVNXIJGJY-UHFFFAOYSA-N 248.370 3.682 30 20 BHED CC(C)(C)ON=Cc1ccc(Cl)cc1F 1324344018 GWDZIWAIYVJSJE-UHFFFAOYSA-N 229.682 3.628 30 20 BHED CC#CCCSCc1cnc2ccccc2c1 1348594527 XUTMHJPAZKSTAA-UHFFFAOYSA-N 241.359 3.881 30 20 BHED C[C@H]1CCCCN(CCC2(C#N)CCCCC2)C1 1473396135 UEPGLCAZLUSWPQ-HNNXBMFYSA-N 248.414 3.973 30 20 BHED C=CCSCC(=O)Nc1ccccc1C(C)C 44266275 MZSJAACVYPOAHV-UHFFFAOYSA-N 249.379 3.668 30 20 BHED C=C(C)CN1CC[C@H](C)Sc2ccccc21 71805708 XVBBHCYHMHVGJV-LBPRGKRZSA-N 233.380 3.953 30 20 BHED COCC[C@@H](C)S[C@H](C)c1ccc(C#N)cc1 88306830 QOCTVFNDLNXLTA-VXGBXAGGSA-N 249.379 3.777 30 20 BHED COCCCCCSCc1cccc(C#N)c1 116910555 ODTWPJSRIQTYBH-UHFFFAOYSA-N 249.379 3.608 30 20 BHED C=CCC/C(O)=N\c1ccc(F)cc1F 145516512 ZZTHGYLDSFPSGL-UHFFFAOYSA-N 211.211 3.519 30 20 BHED CCCCCCCCC(=O)O[C@H](C#N)CC 176002606 MIKXYKJCNSKCOJ-LBPRGKRZSA-N 225.332 3.582 30 20 BHED Cc1nsc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1C#N 221472382 QATKHBQVYFGDMV-ATZCPNFKSA-N 249.383 3.560 30 20 BHED C=CCC[C@H](C)N[C@H]1CCC[C@@H](SC)C1 228612513 HTHKITUPPXWSEK-RWMBFGLXSA-N 227.417 3.605 30 20 BHED CC(C)[C@@H](C)N(C)CCCCC(C)(C)C#N 232699564 WBXGJVUSRIBHFR-CYBMUJFWSA-N 224.392 3.683 30 20 BHED C=CCCN(C)[C@H](C)c1ncc(C(C)(C)C)o1 276490998 USFWQGABQMMDMZ-LLVKDONJSA-N 236.359 3.541 30 20 BHED Cc1nc(N[C@@H](C)CCCC(C)C)ccc1C#N 311218764 TUMVNKDMCRIVBA-LBPRGKRZSA-N 245.370 3.888 30 20 BHED C=C(CC)CN[C@@H](C)CCc1ccc(OC)cc1 313497584 DFHFAKSGLGOCPW-AWEZNQCLSA-N 247.382 3.572 30 20 BHED C=CC[C@H](CC)Nc1nccc2occc12 336746589 WORBXUKOAWCRDS-JTQLQIEISA-N 216.284 3.594 30 20 BHED C=CCCCCN[C@@H]1CCCc2c(O)cccc21 340505991 SLFIHALUBUNFCO-OAHLLOKOSA-N 245.366 3.716 30 20 BHED CC(C)(C)CN[C@@H]1CCCc2cc(C#N)ccc21 341758755 CNAMHPXWHLBLMS-OAHLLOKOSA-N 242.366 3.571 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1ccc(C)cc1O 380992534 FMHGDTSQCZYSLY-ZDUSSCGKSA-N 247.382 3.954 30 20 BHED CC(C)C[C@H](C)CNc1ccc(OCC#N)cc1 384466953 HIBNYJQXONHJPO-ZDUSSCGKSA-N 246.354 3.683 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1cc(C)oc1C 385134353 HMTHXHLNOGDDPM-NSHDSACASA-N 221.344 3.759 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1CCC1(C)C 393732673 AUQOPUJPLWEZIP-QWHCGFSZSA-N 209.377 3.900 30 20 BHED N#CCCSCc1ccccc1C(F)(F)F 413010167 AKPYUCUOKHGWQX-UHFFFAOYSA-N 245.269 3.852 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cc(C)ccc1C 424531522 WFSBXGVYNRKDOM-UHFFFAOYSA-N 231.339 3.844 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 424698083 UHCVXARKVQHYMY-HZSPNIEDSA-N 249.398 3.674 30 20 BHED CC[C@H](NCc1cccc(F)c1C#N)C(C)(C)C 428352391 LBJZFFNZEXLAGX-AWEZNQCLSA-N 248.345 3.612 30 20 BHED C=CC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1CCC 452779265 AZIHVUULYHNXIP-QWHCGFSZSA-N 237.387 3.531 30 20 BHED CCCC[C@@H]1CCC[C@H]1NCC(C)(C)CC#N 459730425 MDHDMIMQVXQNOC-ZIAGYGMSSA-N 236.403 3.875 30 20 BHED C=C(C)CCN(CC)Cc1c(F)cccc1F 509911690 PTLOOKVJKPLQJD-UHFFFAOYSA-N 239.309 3.753 30 20 BHED C=C(C)CN(CCc1ccccc1)CC(C)C 520605889 KPYJOICOGNTPRA-UHFFFAOYSA-N 231.383 3.763 30 20 BHED C=CC[C@H](C)NCc1c(F)ccc(F)c1Cl 527660861 JLQIPRWOCGEIRK-QMMMGPOBSA-N 245.700 3.672 30 20 BHED CC(C)C1CCC(CN(C)C[C@@H](C)C#N)CC1 572801680 YMSKVSSELAIKPT-NFOMZHRRSA-N 236.403 3.540 30 20 BHED C=CCC(C)(C)c1noc([C@H](C)C(F)(F)F)n1 579384548 XJXOZSCXTKUAQR-ZETCQYMHSA-N 248.248 3.589 30 20 BHED C=CCC(C)(C)C(=O)N1CCC[C@H](CC)CC1 580966810 NKBLZRSXBGUQMJ-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C/C=C\c1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1 581030098 JJWOQKSAYHAAJT-KXAWDHGWSA-N 226.323 3.824 30 20 BHED CC[C@@H](C)CN(CC)[C@@H](C#N)c1ccccc1 595343839 FLMBPCHQGCYNNL-HIFRSBDPSA-N 230.355 3.619 30 20 BHED C=CCCN(CCC)[C@@H]1CCc2ccccc21 606897417 VBURVVMDXCOORY-MRXNPFEDSA-N 229.367 3.962 30 20 BHED C=CC[C@H]1CCCN(C(=O)[C@@H](C)C2CCCC2)C1 617782441 FXOSNTVWCZPBQE-KBPBESRZSA-N 249.398 3.627 30 20 BHED Cc1cc(CNC(C(C)C)C(C)C)ccc1C#N 618194644 LDTNRLZFXKGQMW-UHFFFAOYSA-N 244.382 3.637 30 20 BHED C=CCCC(C)(C)NC(=O)c1cc(C)cs1 620856429 XUFGEGWQGVNFDU-UHFFFAOYSA-N 237.368 3.531 30 20 BHED C=CCN(C(=O)c1occc1C(C)C)C(C)(C)C 622944945 MABWYWAEFYYEQT-UHFFFAOYSA-N 249.354 3.830 30 20 BHED C=CCCNCc1ccc(C(F)(F)F)cc1C 657583167 DIDSCYJKIKYTCP-UHFFFAOYSA-N 243.272 3.680 30 20 BHED C=CCCN(c1ccc(C)cc1)C(C)C 739912916 XVQSHYHCZSRNIV-UHFFFAOYSA-N 203.329 3.786 30 20 BHED CCC(CC)NN=Cc1cc(Cl)ccc1F 753700545 LIZUQLBGYXUBSW-UHFFFAOYSA-N 242.725 3.591 30 20 BHED Cc1ccnc(NN=C2CC(C)(C)C[C@@H]2C)c1 766025364 LWXBXOOMNNSMPR-NSHDSACASA-N 231.343 3.614 30 20 BHED CC(CCc1cccc(C)c1)=NNCC(C)C 771561141 IGSCHZUQFPYQPZ-UHFFFAOYSA-N 232.371 3.549 30 20 BHED CC(C)(C)C1CCN(N=C2CCCC2)CC1 790179430 YDAMOSXVSFPEKG-UHFFFAOYSA-N 222.376 3.675 30 20 BHED C[C@@H]1CC(=NOC2CCCC2)c2ccccc21 807980846 ZUDWTENHIKWBGY-LLVKDONJSA-N 229.323 3.857 30 20 BHED C=CCC(=NOC1CCC1)c1ccc(F)cc1 812238080 MGKDRGGBHBFYQA-UHFFFAOYSA-N 233.286 3.675 30 20 BHED CC(=NOC1CCC1)c1coc2ccccc12 812238263 QIWDGDMTXOYHAH-UHFFFAOYSA-N 229.279 3.726 30 20 BHED CC(=NOCC1CC1)c1c(F)cccc1Cl 814241165 DWTDNIDJRUDFFT-UHFFFAOYSA-N 241.693 3.630 30 20 BHED CC[C@H]1CCC[C@H](C=NOCC2CC2)C1 814244881 MMUFFOBYUPIPNK-AAEUAGOBSA-N 209.333 3.615 30 20 BHED C#CCCCCC(=O)N[C@@H]1CCC[C@H]1C(C)(C)C 839891920 PRLVBORTNSNRCB-ZIAGYGMSSA-N 249.398 3.511 30 20 BHED CCCCCCCn1nc(C(F)(F)F)nc1C 1327182180 NGHBHBJQVKUOBM-UHFFFAOYSA-N 249.280 3.576 30 20 BHED Cc1occc1SCc1ccc(C#N)s1 1473016450 USKDTTKLFXTHLF-UHFFFAOYSA-N 235.333 3.814 30 20 BHED N#CCCCSc1ccccc1Cl 19847603 ZREQLWLXKJOMKB-UHFFFAOYSA-N 211.717 3.736 30 20 BHED C#Cc1cccc(NCc2ccccc2CC)c1 52199990 SLQAUJVVOVUUBH-UHFFFAOYSA-N 235.330 3.842 30 20 BHED N#Cc1ccc(NCCC(F)(F)F)c(Cl)c1 63100575 QFUOPPFDQSTHPA-UHFFFAOYSA-N 248.635 3.576 30 20 BHED C[C@H]1c2ccsc2CCN1CCC(C)(C)C#N 87595453 IWEPXKGTRUHWHX-NSHDSACASA-N 248.395 3.607 30 20 BHED CC1(C)CCCN(c2ccc(C#N)cc2F)CC1 87658074 DFSOMTCCLVKNBZ-UHFFFAOYSA-N 246.329 3.714 30 20 BHED CC[C@@]1(C)CCCN(Cc2cc(C#N)cs2)C1 93459060 QPYKBXGVGPGQJQ-AWEZNQCLSA-N 248.395 3.632 30 20 BHED C=CCCCNC(C)(C)c1ccc(F)cc1 117879116 PXMQGDRUQMAZNE-UHFFFAOYSA-N 221.319 3.617 30 20 BHED C=CC[C@@H](C)N[C@@H](CC)c1cccc(F)c1 164090267 QQXMFRSIGMPCLY-RISCZKNCSA-N 221.319 3.831 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H](C)[C@H](C)CC 181476452 GOWQQRCIUPQZKC-AGIUHOORSA-N 225.376 3.530 30 20 BHED CC[C@@H](C#N)SCc1ccccc1Cl 188276511 MGWBUXSBJOZTGY-JTQLQIEISA-N 225.744 3.875 30 20 BHED CC[C@H](C)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 249778652 ONNGVTUEAINFHU-YNEHKIRRSA-N 230.355 3.643 30 20 BHED C=CC1CCN(c2cc(Cl)ccc2C#N)CC1 301249679 AUADNJLEJZRAJC-UHFFFAOYSA-N 246.741 3.614 30 20 BHED C=C(C)CCN[C@@H]1CCCC[C@H]1SCC 309055734 UIYANOONCTZBSX-CHWSQXEVSA-N 227.417 3.607 30 20 BHED N#C[C@H]1CC[C@H](Nc2cccc(C(F)F)c2)C1 334389707 RZZOWPNTDHWQHY-CABZTGNLSA-N 236.265 3.728 30 20 BHED Cc1ccc(NC2CCC(C)(C#N)CC2)cc1 336215951 YLKZKEHTFHMUKR-UHFFFAOYSA-N 228.339 3.879 30 20 BHED C=C(C)CNc1ccc2nc(C)sc2c1 380068639 CNYLDAFEAGZUOI-UHFFFAOYSA-N 218.325 3.593 30 20 BHED C=CCC[C@@H](N[C@@H]1CCC1(C)C)C1CC1 380117009 PRQYZJXCHXHSKY-CHWSQXEVSA-N 207.361 3.509 30 20 BHED Cl/C=C\CON=Cc1ccsc1Cl 393556464 OJFXGMHJTSCFHW-QBIKGENYSA-N 236.123 3.505 30 20 BHED CC#CCCCC(=O)N[C@H]1CCC[C@@H]1C(C)(C)C 412808611 GXXABPDXWUHTBR-KBPBESRZSA-N 249.398 3.511 30 20 BHED N#CCCSCc1cccc(Cl)c1F 413012421 LLNMWLMTBHQWRO-UHFFFAOYSA-N 229.707 3.626 30 20 BHED CCN(Cc1cccc(C2CC2)c1)C[C@H](C)C#N 421325069 YRPCUHPMTORJNR-CYBMUJFWSA-N 242.366 3.546 30 20 BHED CCC[C@H](CC)NC1CCC(C)(C#N)CC1 449130725 HODGNVJRGLASDL-HSBZDZAISA-N 222.376 3.627 30 20 BHED CCC[C@@H](C)[C@H]1CCCN1CC1(C#N)CCC1 450497317 FFXQFTFEIHVMLS-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED CCC[C@H](N[C@H]1CCC[C@H](C#N)C1)C1CCC1 459744262 DLAZXSJYQNADKK-QEJZJMRPSA-N 234.387 3.627 30 20 BHED C=CCCCCCN(C)C(=O)[C@@H]1C[C@]1(C)CC 466243882 GVULKLSIPUJGOG-ZFWWWQNUSA-N 237.387 3.627 30 20 BHED C=CC[C@@H]1N(C(=O)CCC2CC2)CCCC1(C)C 470271455 AUDOLDGJNSYGLZ-AWEZNQCLSA-N 249.398 3.770 30 20 BHED CC(C)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 472147037 GHYOVYPUKXISEG-ZBFHGGJFSA-N 242.366 3.592 30 20 BHED C=C(C)CN(C)CCCSCc1ccccc1 481289708 VIIQMSYICRTEPO-UHFFFAOYSA-N 249.423 3.818 30 20 BHED C=CCCCCN1CCC=C(c2cccnc2)C1 579674476 OUIULJQXRVVCDT-UHFFFAOYSA-N 242.366 3.527 30 20 BHED CC(C)(C)C(C)(C)CN[C@H]1CCC[C@@H](C#N)C1 590255442 KAFGBUFJVMCBKJ-OLZOCXBDSA-N 236.403 3.731 30 20 BHED CC(C)(C)[C@@H]1CCN([C@@H](C#N)c2ccccc2)C1 595425119 JKWQHKZRQAFOOU-CABCVRRESA-N 242.366 3.619 30 20 BHED C[C@@H](CCC#N)CNc1ccc2c(c1)CCC2 602521641 PEBHKGCQNHGDEK-LBPRGKRZSA-N 228.339 3.527 30 20 BHED CC[C@@H](CC#N)NC1CCC(=C2CCC2)CC1 602611886 MKIFHSGCDAZSIP-AWEZNQCLSA-N 232.371 3.691 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 610829797 LZVFTDHZRGJQDB-BFHYXJOUSA-N 242.366 3.810 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@@]2(C)CCC[C@H]2C)C1 617779201 XDRHRZAQVNDGGG-FMKPAKJESA-N 249.398 3.627 30 20 BHED C=CCCCC[C@@H](C)NCCc1ccoc1 658200393 PBJKTPIRFJVUHK-CYBMUJFWSA-N 221.344 3.547 30 20 BHED C=CC[C@@H]1CCCN(c2ccc(Cl)cn2)C1 664253486 NVTMJYGNRSKSAL-LLVKDONJSA-N 236.746 3.528 30 20 BHED CCCCCCCOC(=O)CCC(F)(F)F 744046793 JJWVKWJRKZGHPD-UHFFFAOYSA-N 240.265 3.843 30 20 BHED C=CCCC(=O)O[C@H](C)c1c(C)cccc1C 765983159 MMMCFPPIKIETDR-CYBMUJFWSA-N 232.323 3.874 30 20 BHED C=CCN(Cc1ccc(F)c(Cl)c1)C(C)C 768547951 UPWSRIZCLUWUIF-UHFFFAOYSA-N 241.737 3.876 30 20 BHED Cc1cccc(NN=C2CC3(CCC3)C2)c1 772831486 VWFITASCTVASTM-UHFFFAOYSA-N 214.312 3.727 30 20 BHED CC(=NN[C@H]1CCCCC1(C)C)C1CCC1 773123097 DMEGRYHRXMXHCF-ZDUSSCGKSA-N 222.376 3.721 30 20 BHED Cc1cccc(C)c1C=NNC1CCCCC1 786041310 ZRUFXBURVSCXLL-UHFFFAOYSA-N 230.355 3.560 30 20 BHED CCc1cccc(C)c1NN=Cc1occc1C 799493475 CSNMAQVMIYSGEJ-UHFFFAOYSA-N 242.322 3.905 30 20 BHED C=CCCCCCCNC(=O)C1=C(C)CCC1 805221340 PAHKVPQEIVCAEK-UHFFFAOYSA-N 235.371 3.740 30 20 BHED CCOc1ccccc1C(C)=NOCCC1CC1 814245873 LCYSQFQNBOQAST-UHFFFAOYSA-N 247.338 3.626 30 20 BHED C=C(C)C(C)(C)C(=O)Oc1ccccc1Cl 819936084 HMKIQDXYLYQMEK-UHFFFAOYSA-N 238.714 3.848 30 20 BHED C=CCN(Cc1cc2ccncc2s1)C(C)C 824582257 ZYUDLCPKSXGLNN-UHFFFAOYSA-N 246.379 3.693 30 20 BHED CCC(CC)CC(=O)O[C@H](C)CC(C)(C)C#N 851209928 QRWYMTQUBJQPJG-LLVKDONJSA-N 239.359 3.684 30 20 BHED C=CC(C)(C)CCOC(=O)CC1CC(F)(F)C1 851300037 ARCRVNJDYZPMEH-UHFFFAOYSA-N 246.297 3.567 30 20 BHED Clc1cccc(Cl)c1CON=CC1CC1 853736624 IJXPDPUHUFEVOS-UHFFFAOYSA-N 244.121 3.906 30 20 BHED C[C@H](CCC#N)CN1Cc2ccccc2[C@@H](C)C1 876544223 RABCPMUORLFDLO-KGLIPLIRSA-N 242.366 3.546 30 20 BHED C=C(CC(C)C)C(=O)Nc1ccc2cc[nH]c2c1 1346990055 KKOLSVKUFGCJLB-UHFFFAOYSA-N 242.322 3.709 30 20 BHED CCCC[C@@H](CC)CNc1ncc(C#N)cc1F 1458091462 IBSOIVZKNLKTPT-LLVKDONJSA-N 249.333 3.721 30 20 BHED C=CC[C@@H](S[C@H](C)c1cccs1)C(=O)O 1588759189 QYJKURQFKSCMGF-PSASIEDQSA-N 242.365 3.572 30 20 BHED C=CCC[C@H](CC)Nc1cc(C)cc(C(=O)O)c1 1602857722 WMEXIVNTWJBQNP-ZDUSSCGKSA-N 247.338 3.850 30 20 BHED C=CC[C@@H](N)c1cccc(OC2CCCC2)c1 1690154822 UVIJLKYLAQKBKE-OAHLLOKOSA-N 231.339 3.584 30 20 BHED Cc1ccc(OCc2ccccc2C#N)c(C)c1 11834114 XVCKAKIDFPGXBI-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C[C@H](N[C@H]1CCCC[C@H]1C)c1ccc(C#N)cc1 19945251 BPGSJKPPVGTDEW-WWGRRREGSA-N 242.366 3.788 30 20 BHED C=CCOc1cc(Cl)cc(Cl)c1 32296733 JPJVGTXKCHOVJY-UHFFFAOYSA-N 203.068 3.558 30 20 BHED Cc1cc(CNc2ccc(C#N)cc2)c(C)s1 49684981 RTRVGRQQQLERSJ-UHFFFAOYSA-N 242.347 3.849 30 20 BHED C=C(C)CN1CCC[C@@H]1c1cccc(F)c1 52455141 BHPJCFNOJJRQLC-CQSZACIVSA-N 219.303 3.539 30 20 BHED C=C(C)CN(CC)C(=O)c1ccc(C(C)C)cc1 57157823 ZXFKJFOUMIJFOW-UHFFFAOYSA-N 245.366 3.848 30 20 BHED C=CCCNc1ccc(Cl)cc1Cl 70591274 UQNODNXSWXSJRA-UHFFFAOYSA-N 216.111 3.981 30 20 BHED Cc1ccc(Sc2cccc(C#N)n2)c(C)c1 81622149 HAQSPCPVUVAKMD-UHFFFAOYSA-N 240.331 3.721 30 20 BHED CC(C)CCN(CCC#N)CC(C)(C)CCC#N 93100964 NWNDNIRBAGIVDC-UHFFFAOYSA-N 249.402 3.578 30 20 BHED N#Cc1c(F)cccc1Sc1cccs1 96470111 ISPQYEJFTQJSLN-UHFFFAOYSA-N 235.308 3.910 30 20 BHED C=CCC[C@H](NCc1cccc(OC)c1)C1CC1 119880351 SHAOOVACCNMBIA-INIZCTEOSA-N 245.366 3.530 30 20 BHED C=CCCCCCN(C)Cc1cnc(C)s1 150896636 HIJRJYHPHIKDCR-UHFFFAOYSA-N 238.400 3.630 30 20 BHED CC[C@H]1CCCCN1Cc1ccc(C#N)cc1C 165437770 NAVIXPCZROBEFR-INIZCTEOSA-N 242.366 3.631 30 20 BHED N#Cc1ccc(CNCCCC2CCCCC2)o1 174266581 TUJDEYSDSBPDQO-UHFFFAOYSA-N 246.354 3.601 30 20 BHED C[C@@H]1[C@H](c2ccccc2)CCN1CCCCC#N 177544716 HYIRPKWVXJFYMM-GDBMZVCRSA-N 242.366 3.558 30 20 BHED CC#CCCCC(=O)N[C@H]1CCC[C@@H](C(C)C)C1 185474951 WCUQXXCFELPMEX-CABCVRRESA-N 249.398 3.511 30 20 BHED C=CCc1cc(OC)ccc1OC(=O)CCCC 216313876 SBHINNVIOOLATN-UHFFFAOYSA-N 248.322 3.519 30 20 BHED C#CCCCCN[C@@H](C)CCCC(F)(F)F 229563698 XONGWSRPFHRHAH-NSHDSACASA-N 235.293 3.501 30 20 BHED CSCCCCCCNc1ccc(C#N)cc1 230097552 SSCNLCRRBHYLMI-UHFFFAOYSA-N 248.395 3.894 30 20 BHED C=C(Cl)CN[C@@H]1CCC[C@H](C(C)C)C1 230997909 DHSPUSMNFAIUGD-NWDGAFQWSA-N 215.768 3.543 30 20 BHED CCCCCCCCCNCc1ccc(C#N)o1 236635481 KVWXAXDQGIXFQI-UHFFFAOYSA-N 248.370 3.991 30 20 BHED CCC1(CNc2nc(C)c(C#N)cc2Cl)CC1 310273765 NXMRSIWANQSZSL-UHFFFAOYSA-N 249.745 3.517 30 20 BHED Cc1csc(N=C(O)[C@@H]2C[C@@H]2C2CC2)c1C#N 329591418 YXRMVXSCBAWSRZ-NXEZZACHSA-N 246.335 3.562 30 20 BHED N#CC1(CSCc2ccccc2Cl)CC1 344492365 ZSOGQTFJQXFOMQ-UHFFFAOYSA-N 237.755 3.877 30 20 BHED C=CCCC1(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)CC1 361836212 DKZJVKZXAGBFPK-MCIONIFRSA-N 249.398 3.626 30 20 BHED C=CCCCCCN(C)Cc1ccoc1C 362918200 MJXBHBDHIPSOPL-UHFFFAOYSA-N 221.344 3.766 30 20 BHED Cc1ccc([C@H](C)NCC(C)(C)CC#N)cc1 414174303 XXWKZBUURISJPN-ZDUSSCGKSA-N 230.355 3.586 30 20 BHED C=CC[C@@H](Cc1ccccc1)NCc1ccco1 414528217 AMOQYXSXYQIPRK-HNNXBMFYSA-N 241.334 3.557 30 20 BHED C=CCOCCCS[C@H](C)CCC 419481751 XPDPQHKBSVWKNL-LLVKDONJSA-N 202.363 3.501 30 20 BHED C=C(C)C(C)(C)C(=O)N1CCCC(C)(C)CC1 424696251 YSYGMRPLCHPMFL-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C[C@@H](c1cccc(C#N)c1)N1CCc2ccccc21 442679735 PSCQOLRBNBAELV-ZDUSSCGKSA-N 248.329 3.682 30 20 BHED C=CC[C@H]1N(Cc2ccncc2)CCCC1(C)C 444778835 AHNOSKSCTRVRAP-OAHLLOKOSA-N 244.382 3.648 30 20 BHED C=C[C@@H](C)NC(=O)[C@H](CC)CC1CCCCC1 465143117 FCGVQFAMONTGSG-TZMCWYRMSA-N 237.387 3.674 30 20 BHED N#Cc1ccc(N2CCC[C@H]2c2ccccc2)cc1 505749476 JBGSYLKXMSZOQL-KRWDZBQOSA-N 248.329 3.900 30 20 BHED CC(C)(CCC#N)CNc1cccc2cc[nH]c12 547857100 KEZAGBXXKYNLKH-UHFFFAOYSA-N 241.338 3.910 30 20 BHED C[C@H]1CCCC[C@H]1CN1CCC(CCC#N)CC1 569123412 LNLAOYGURZQIRS-HOCLYGCPSA-N 248.414 3.828 30 20 BHED C=CC[C@H]1CCCC[C@@H]1N[C@@H]1C[C@H]1c1ccco1 658039313 XXRRAOFXOSTJDG-LJISPDSOSA-N 245.366 3.860 30 20 BHED Cc1cccc([C@H](C)N[C@H](C)CC(C)(C)C#N)c1 695779212 PIRKLICSCYXEFE-KGLIPLIRSA-N 244.382 3.974 30 20 BHED C[C@@H](CC(C)(C)C#N)N[C@H]1CCC[C@@H](C)CC1 709997578 KUSHFDBVUMIMDG-RDBSUJKOSA-N 236.403 3.873 30 20 BHED CC[C@@H](C)C(C)=NNc1cccc([N+](=O)[O-])c1C 727972842 HOAYWBWZFOLQHG-SECBINFHSA-N 249.314 3.737 30 20 BHED CCCCC(CC)=NNc1nc2ccccc2[nH]1 732924498 VWBQRUULPFHIDO-UHFFFAOYSA-N 244.342 3.931 30 20 BHED COc1cccc(NN=C(C)C2CCCC2)c1 733076910 YDAQBIUEQYFXSZ-UHFFFAOYSA-N 232.327 3.673 30 20 BHED C=CCCSCCOc1ccc(C)cc1 739431648 FOHOIMZHCWJGNN-UHFFFAOYSA-N 222.353 3.683 30 20 BHED CC(=NN[C@@H](C)c1ccccc1)c1ccsc1 749103733 ACHDGVPZZWWNRT-NSHDSACASA-N 244.363 3.823 30 20 BHED CCCCCCCCC(=O)N1CC[C@H](CC)C1 755477486 ABKIMSMKRJATJU-AWEZNQCLSA-N 239.403 3.996 30 20 BHED CCC(CC)NN=C1CCC[C@H](C)[C@@H]1C 781127748 QFRGSIAXOQNAIA-QWRGUYRKSA-N 210.365 3.577 30 20 BHED CC(CCc1ccco1)=NN[C@H]1CCCC1(C)C 782289255 UBXRUCJJKCMQLR-AWEZNQCLSA-N 248.370 3.756 30 20 BHED C=CCCCCC[C@@H](C)NCC1(OC)CCC1 793556825 ZMAYCFBJUOILTQ-CQSZACIVSA-N 239.403 3.670 30 20 BHED C=CC[C@H](CC)NC(=O)/C=C/C1CCCCC1 798554730 STCITQGBPSAVAP-GETOMWPZSA-N 235.371 3.594 30 20 BHED C[C@H]1CC(=NNCC2CCCC2)CC[C@H]1C 808007104 PNRGPKAOTZCOFF-NEPJUHHUSA-N 222.376 3.578 30 20 BHED CC(=NOC/C=C/Cl)[C@H](C)c1ccccc1 811669697 RXXMDCLEJHBONL-FDUUKDMUSA-N 237.730 3.935 30 20 BHED C#CCCCNc1ccc(-c2ccccn2)cc1 811791998 XBGOYMLVWLPSJT-UHFFFAOYSA-N 236.318 3.574 30 20 BHED Cc1cc(C)cc(NN=Cc2ccc(Cl)o2)c1 814753400 LZDOVBJJLMTJMI-UHFFFAOYSA-N 248.713 3.996 30 20 BHED C=CCC(C)(C)CNC(=O)/C=C(/C)C(C)(C)C 817456697 CADNPFBHGDLEQR-BENRWUELSA-N 237.387 3.697 30 20 BHED Cc1ccccc1CON=Cc1cccc(F)c1 824228873 VQSHCTXBAFVREO-UHFFFAOYSA-N 243.281 3.685 30 20 BHED C=CC(C)(C)C(=O)O[C@H](C)c1ccccc1F 835277515 IUKGNWFVRMOTSQ-SNVBAGLBSA-N 236.286 3.642 30 20 BHED Cc1ccc([C@@H](C)C=NOCC(F)(F)F)cc1 863103342 VXNUDNAVNMJHQS-JTQLQIEISA-N 245.244 3.663 30 20 BHED Clc1ccccc1NN=C[C@@H]1C[C@H]2C=C[C@H]1C2 864358109 JRYJWTKJLBSDGT-SRVKXCTJSA-N 246.741 3.950 30 20 BHED C=C1CCC(C(=O)N2[C@@H](C)CCC2(C)C)CC1 891376861 CPLXUCUDPLVFCA-LBPRGKRZSA-N 235.371 3.522 30 20 BHED COC[C@H](C)SCCCCC1(C#N)CCC1 901769312 LWVXTRLTUWGCJP-LBPRGKRZSA-N 241.400 3.619 30 20 BHED CCc1ccc(C=NNc2ccc(F)cc2)cc1 916268237 SARUFSFEIIAGKL-UHFFFAOYSA-N 242.297 3.834 30 20 BHED Fc1cccc(NN=C[C@H]2CC=CCC2)c1 920384616 ZHJGDYPDEBHSFX-NSHDSACASA-N 218.275 3.580 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H](C)c1ccccc1C 935799159 KQOSPVJZOYCEIZ-KBPBESRZSA-N 245.366 3.569 30 20 BHED CC(=NOC(C)(C)C)c1ccc(Cl)cc1 1116408686 KXCBFIFRHVEUTK-UHFFFAOYSA-N 225.719 3.879 30 20 BHED C=CCCOC(=O)[C@@H](C)CC1CCCCC1 1329139537 DRJBEZAHLOAGTG-LBPRGKRZSA-N 224.344 3.712 30 20 BHED CC1(C)CCCN(CC2CCCCCC2)[C@@H]1C#N 1654372677 UVRSTDIKHASIEQ-OAHLLOKOSA-N 248.414 3.971 30 20 BHED COc1cccc(SCCC(C)(C)C#N)c1 87324206 GUZJXRULQFKEDP-UHFFFAOYSA-N 235.352 3.727 30 20 BHED CC(C)(C#N)CCCN1CCC[C@@H]2CCC[C@@H]21 87770923 QELAWQNTRCQUDH-KBPBESRZSA-N 234.387 3.581 30 20 BHED C#CCCCCN[C@@H](C)c1ccc(CC)s1 90398820 RPSGDYWETQSJGG-LBPRGKRZSA-N 235.396 3.765 30 20 BHED C=CCCCN(C)Cc1cnc(C(C)C)s1 93533544 PHMRLEWLOIMWMO-UHFFFAOYSA-N 238.400 3.665 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cc(C)sc1C 119317090 XWFHCGDGSFUYFU-SCZZXKLOSA-N 209.358 3.590 30 20 BHED C=CCC[C@H](NC(=O)C=C(C)C)c1ccccc1 133891755 BBHGDXIDRQNTBQ-HNNXBMFYSA-N 243.350 3.776 30 20 BHED CC[C@H](C)CSc1ccc(C#N)cc1 228556428 VICSNYHAQUMRTD-JTQLQIEISA-N 205.326 3.696 30 20 BHED C=CCCC(=O)N(Cc1ccccc1)[C@@H](C)CC 263722121 YJDCWQLOGXJZHH-AWEZNQCLSA-N 245.366 3.780 30 20 BHED C=CC1CCN(c2ccc(C#N)c(Cl)c2)CC1 301287445 VRJFRXURXAFVSY-UHFFFAOYSA-N 246.741 3.614 30 20 BHED C[C@H](CNc1ccc(OCC#N)cc1)C(C)(C)C 310674743 PCMRWHVWSZWKLI-GFCCVEGCSA-N 246.354 3.683 30 20 BHED CC1(C#N)CCC(N[C@@H]2CCCC2(C)C)CC1 336205315 RXDLVLUDQJGRLE-JVWICGRDSA-N 234.387 3.627 30 20 BHED C=CCC(CC=C)C(=O)N1CCC2(CCC2)CC1 375817698 FPLMLNYIURQINT-UHFFFAOYSA-N 247.382 3.548 30 20 BHED CC(C)[C@@H](N[C@@H](C)CCC#N)c1ccc(F)cc1 411687177 FONATXKCMWOUBS-SWLSCSKDSA-N 248.345 3.805 30 20 BHED CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1F 424328008 NPJFTHCZKCNCLA-YWPYICTPSA-N 246.329 3.559 30 20 BHED N#C[C@@H]1CC[C@@H](Sc2ccc3c(c2)CCC3)C1 430131825 MXAOKRLJGWJUOH-BXUZGUMPSA-N 243.375 3.960 30 20 BHED CC1=CCC[C@H](C)[C@H]1CN(CCC#N)CC1CC1 443421978 ZAWWNWZTOKVZHO-HOCLYGCPSA-N 246.398 3.604 30 20 BHED C=CCC[C@H](CC)NC[C@@H]1CCCC1(F)F 449496401 PZIGAPADXOGTPD-RYUDHWBXSA-N 231.330 3.756 30 20 BHED C=CCC[C@@H](NC/C=C/CC)c1ccco1 453324695 QONZOTYUBZCASW-VUDGCMKMSA-N 219.328 3.843 30 20 BHED C=C(C)CCNC(=O)Nc1ccccc1CCC 454385010 ODBMHFKZRYCUJO-UHFFFAOYSA-N 246.354 3.727 30 20 BHED C=CCCCCNC(=O)C[C@H](C)CC(C)C 471667707 LJZUKQXPIDAKFM-CYBMUJFWSA-N 225.376 3.531 30 20 BHED C=C[C@H]1CCCCN1c1nc2cc(C)ccc2o1 486486306 IUVGJCJJQNXVHZ-LBPRGKRZSA-N 242.322 3.681 30 20 BHED C[C@H](CB1OC(C)(C)C(C)(C)O1)C(C)(C)C 536960397 UTVFPBPKZWQYIW-SNVBAGLBSA-N 226.169 3.761 30 20 BHED C=CCC[C@H](CCC)NCCc1ccc(O)cc1 537964828 GLKYRYPQPOSGQS-HNNXBMFYSA-N 247.382 3.659 30 20 BHED C=CCCCCNc1ccc2c(C)nn(C)c2c1 562562941 WGFVMACNUJZQSF-UHFFFAOYSA-N 243.354 3.650 30 20 BHED CC(C)Cn1ccc2cc(NCCC#N)ccc21 582297009 ILQRYQGMIQERAH-UHFFFAOYSA-N 241.338 3.623 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cc2ccncc2s1 657917999 HLBCAFNVJOVFAY-MNOVXSKESA-N 246.379 3.912 30 20 BHED C[C@H](CN[C@H](C)CC(C)(C)C#N)c1ccccc1 695779626 QLXZXLFDJZKTJR-ZIAGYGMSSA-N 244.382 3.708 30 20 BHED CC[C@@H](Nc1cc(F)cc(C#N)c1)[C@H]1CC1(C)C 718627692 QZWOIIBKCDEBIO-ZIAGYGMSSA-N 246.329 3.934 30 20 BHED C#CCCCN1CCC[C@H]1c1cc(C)ccc1C 766904351 FJUBENZIRNSZEP-KRWDZBQOSA-N 241.378 3.854 30 20 BHED C=CCC[C@@H](C)OC(=O)c1cc2ccsc2[nH]1 772778394 QLBPLRUYEMJOBE-SECBINFHSA-N 249.335 3.741 30 20 BHED CCON=C1CCC2(CCCCC2)CC1 786037561 INXRYXWRAXZHLE-UHFFFAOYSA-N 209.333 3.903 30 20 BHED CCCCCCCN1CCC(F)(F)[C@@H](C)C1 810045185 GVNZVZHNWRUODK-LBPRGKRZSA-N 233.346 3.934 30 20 BHED CC(C)OCCON=CC[C@H](C)c1ccccc1 812238348 SWXTUAXGSVCSDN-AWEZNQCLSA-N 249.354 3.608 30 20 BHED CC(=NNc1ccc(F)cn1)[C@H]1CCCC[C@H]1C 834957060 RYVQDCZJPKZUMA-MFKMUULPSA-N 249.333 3.835 30 20 BHED CC(CCCC(C)C)=NN[C@H](C)C(F)(F)F 835002145 RJIGQSFOUYMLFA-SNVBAGLBSA-N 238.297 3.729 30 20 BHED C=C(C)COc1ccc(F)cc1Br 19511849 OTUPVJWVGCBFOC-UHFFFAOYSA-N 245.091 3.543 30 20 BHED Cc1cccc(CSc2cccc(C#N)n2)c1 81622553 YQLVOXSJVJCGNC-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C#CCCCCC(=O)N[C@H](CCC)CCCC 119958791 YKIJCRGNUGXFHQ-CQSZACIVSA-N 237.387 3.655 30 20 BHED C=CCSCCN[C@@H](C)c1ccc(C)cc1 129351420 IEFLWKRJYWEQRE-ZDUSSCGKSA-N 235.396 3.565 30 20 BHED CCCCCCCCn1ccc(C)cc1=O 129485126 PMNQPXVIDGLIKT-UHFFFAOYSA-N 221.344 3.517 30 20 BHED CCC[C@@H](Cc1ccccc1)N[C@@H](CC)CC#N 133193846 WPURANGRAWKFLG-HOTGVXAUSA-N 244.382 3.680 30 20 BHED C=CCCN[C@@H](C)c1ccc(OCCC)cc1 161737104 VYGOZKLQSYGUSQ-ZDUSSCGKSA-N 233.355 3.702 30 20 BHED C=CC[C@H](C)N[C@H](c1ccccc1)C(F)(F)F 162726877 FEBHIXBVEJNLJI-CMPLNLGQSA-N 243.272 3.844 30 20 BHED C=CCC(CC=C)C(=O)N(C)[C@@H]1CCC[C@H](C)C1 176938455 LGLZDGURWCIPDH-DZGCQCFKSA-N 249.398 3.792 30 20 BHED C=C(C)CN(CC)[C@@H](C)Cc1ccsc1 182952501 WZKLYEMVZDVDNL-LBPRGKRZSA-N 223.385 3.577 30 20 BHED CC#CCCCC(=O)NCC(CC)(CC)CC 185844803 RCZPAMSTNYLTNZ-UHFFFAOYSA-N 237.387 3.513 30 20 BHED C#CCCCC(=O)Nc1ccc(C(C)(C)C)cc1 192038801 SZJLELOGYUKTKB-UHFFFAOYSA-N 243.350 3.726 30 20 BHED C#C[C@@H](CCC)N[C@H](CC)c1ccccc1 233296181 OBBYATNTXZBGPF-LSDHHAIUSA-N 215.340 3.529 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(C)cc1Cl 294305554 XFSRHMRZQUHYBI-UHFFFAOYSA-N 237.730 3.799 30 20 BHED C=CCC[C@@H](CC)N[C@@H](C)CCC1CC1 309172599 LSCHQWYFILVJDP-GXTWGEPZSA-N 209.377 3.900 30 20 BHED C=C[C@@H](C)N[C@@H]1CC(C)(C)c2ccccc21 309507385 WHRPLHJMXXCQAK-BXUZGUMPSA-N 215.340 3.573 30 20 BHED CCCCCCC(=O)Nc1cccc(CC#N)c1 313433776 GAQWUMISHQUGDG-UHFFFAOYSA-N 244.338 3.662 30 20 BHED C[C@@H]1CCC[C@H](Nc2cccc(CC#N)c2)[C@@H]1C 313486941 YWTNWBUUABQXHJ-IOASZLSFSA-N 242.366 3.989 30 20 BHED C=CCCN(CC)[C@@H](C)Cc1ccsc1 338568960 OUHCSOLIXJWREM-LBPRGKRZSA-N 223.385 3.577 30 20 BHED C=C(CC)CSCc1ccn(C(C)C)n1 358637254 SGAGUYLAEOWOLV-UHFFFAOYSA-N 224.373 3.663 30 20 BHED C[C@H](C#N)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 361833627 IKVRUKDRIXTUEC-RISCZKNCSA-N 248.345 3.805 30 20 BHED C=CCCCNC(C)(C)c1cccs1 379641213 VBLJOCIZAGFBII-UHFFFAOYSA-N 209.358 3.539 30 20 BHED C#CCCCCN[C@H](C)[C@H](C)CCCC 380290710 BLKSQUIKXBQXIS-ZIAGYGMSSA-N 209.377 3.594 30 20 BHED Cc1cccc([C@@H](C)SCCC#N)c1 413012012 KQRKDOKENAWNNF-LLVKDONJSA-N 205.326 3.703 30 20 BHED C=CCOCCCOc1cccc(C2CC2)c1 424104265 SIVSBVSOZGLUBD-UHFFFAOYSA-N 232.323 3.536 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCC[C@@H]1C 424608635 AZEUVLNGOKCNBD-STQMWFEESA-N 237.387 3.531 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C 425494990 YKQMYHHJGMXSRU-FRRDWIJNSA-N 237.387 3.530 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C 425494992 YKQMYHHJGMXSRU-RWMBFGLXSA-N 237.387 3.530 30 20 BHED CC(C)[C@@H](C)SCC#Cc1ccc(F)cc1 433384993 FEIVCIJZSWVAGP-GFCCVEGCSA-N 236.355 3.955 30 20 BHED CC#CCCCC(=O)N[C@@H](CCC)C(C)(C)C 452676853 UMSQOCDEEUXCSX-ZDUSSCGKSA-N 237.387 3.511 30 20 BHED C=CCCCC(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C 482689903 HSJGLXLMERLDAK-MJBXVCDLSA-N 237.387 3.531 30 20 BHED C[C@@H](c1ccc(C#N)cc1)N(C)CC(C)(C)C 507221806 OHZCGTKRSRVRAJ-LBPRGKRZSA-N 230.355 3.597 30 20 BHED CCC[C@H](C)N(C)CC#Cc1cccc(Cl)c1 533001743 LOAJDMFJBLWPSE-ZDUSSCGKSA-N 249.785 3.812 30 20 BHED C=CC[C@@H](C)NCc1ccc(OCCC)cc1C 671121335 HRFRSMPNBIJBGF-CQSZACIVSA-N 247.382 3.838 30 20 BHED C[C@@H](CC(C)(C)C#N)Nc1ccc(F)cc1 709989261 HXNORLNVHMVXJW-JTQLQIEISA-N 220.291 3.566 30 20 BHED CCCCCC[C@@H](C)NN=C(C)c1cccnc1 743451008 WWOCETFOIJVJTB-CYBMUJFWSA-N 247.386 3.754 30 20 BHED C=CCN(Cc1ccc2ncccc2c1)C(C)C 768547765 ONGZCPHZZVGWQS-UHFFFAOYSA-N 240.350 3.631 30 20 BHED O=C(/C=C\c1cscc1Cl)c1cccnc1 771838524 QLEKAVNLGJAJTB-ARJAWSKDSA-N 249.722 3.693 30 20 BHED Cc1cccnc1NN=C[C@@H]1CCCC[C@H]1C 790185635 IFWIEXHGOFTEQA-YPMHNXCESA-N 231.343 3.614 30 20 BHED CCCC[C@H](C)C(C)=NO[C@H]1CCCCO1 807982334 XLDLDNBKQIBYFW-AAEUAGOBSA-N 227.348 3.732 30 20 BHED CC(=NOC/C=C/Cl)[C@@H](C)c1ccccc1 811669698 RXXMDCLEJHBONL-LSEFVFLLSA-N 237.730 3.935 30 20 BHED C=C(C)C(C)(C)C(=O)Oc1cccc(C)c1F 820557066 MXRNRVMNRFJIRY-UHFFFAOYSA-N 236.286 3.642 30 20 BHED C=C[C@@](C)(CC)C(=O)N(C)c1ccc(C)cc1F 841326902 UGHZGBJWMOXBMG-HNNXBMFYSA-N 249.329 3.699 30 20 BHED CCCCCCCC(=O)N(C)C(C)(C)C 843713417 QRQWQLPREBWZKH-UHFFFAOYSA-N 213.365 3.604 30 20 BHED C=CCCCC(=O)N1CC[C@H](C2CCCCC2)C1 855637378 ZHDMHQWZYVYMGK-HNNXBMFYSA-N 249.398 3.772 30 20 BHED C[C@@H](CCC#N)S[C@@H]1CCOc2ccccc21 1188942302 RKEZXMAKUNUSOV-SMDDNHRTSA-N 247.363 3.936 30 20 BHED C=C(C)CCC(=O)N(c1ccccc1)C1CC1 1262800440 NWGHGJXSIFLPIY-UHFFFAOYSA-N 229.323 3.538 30 20 BHED CCOCc1ccc(NC[C@H](C)CCC#N)cc1 1349599822 OUSKROFONLOZAD-CYBMUJFWSA-N 246.354 3.575 30 20 BHED N#Cc1ccc(Cl)cc1NCc1ccsc1 36954305 SZFFRDXRXVDDOW-UHFFFAOYSA-N 248.738 3.885 30 20 BHED C[C@H](N[C@@H]1CCCC[C@@H]1C)c1cccc(C#N)c1 37211576 BYIGTYJYTIGCMK-HEHGZKQESA-N 242.366 3.788 30 20 BHED C=CCN(CCC(F)(F)F)Cc1cccs1 72979870 NCSPEJLRGLJAFY-UHFFFAOYSA-N 249.301 3.689 30 20 BHED C=CC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 118399352 SLHBYPMFWFUVTP-ZDUSSCGKSA-N 240.350 3.517 30 20 BHED CC[C@H](C#N)Nc1cccc(C(F)(F)F)c1C 122261820 AMHHNIJMSPRBCW-SECBINFHSA-N 242.244 3.728 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cccc(C)c1C 122957074 QDKZGBUXWAXKMY-DGCLKSJQSA-N 203.329 3.529 30 20 BHED C=CC[C@@H](C)[C@H](C)Nc1cccc(C#N)c1 134798106 QFSXSUHPXHNASE-NEPJUHHUSA-N 214.312 3.571 30 20 BHED C=C[C@H](C)NC(=O)Nc1ccccc1C(C)C 164416822 FLDWPGJUEGXLPY-NSHDSACASA-N 232.327 3.506 30 20 BHED C[C@H](Oc1ccccc1F)c1cccc(C#N)c1 190086151 DXXLPXOMQCSRHZ-NSHDSACASA-N 241.265 3.837 30 20 BHED CCCCCCCC(=O)N[C@H](C)c1ccccn1 192570851 CMDWKUZRQRNYMK-CYBMUJFWSA-N 248.370 3.619 30 20 BHED C=CCC[C@@H](C)Nc1ccccc1CCOC 228070624 NOQPFQVLZJOLPI-CYBMUJFWSA-N 233.355 3.642 30 20 BHED CC(C)=CCNc1c(Cl)cccc1C#N 302732933 UWBUHGLVNIPFDY-UHFFFAOYSA-N 220.703 3.590 30 20 BHED C=CCCC[C@H](C)NC[C@H]1CC=CCC1 308815131 AKZSQPYEEHWWHC-KBPBESRZSA-N 207.361 3.677 30 20 BHED C=CCNc1ccccc1SCC(F)(F)F 309551166 FXVMVYXYLBEJNJ-UHFFFAOYSA-N 247.285 3.939 30 20 BHED N#CCCCN1CCCCc2c(Cl)cccc21 348823793 YVZUMEMMQJCNBK-UHFFFAOYSA-N 248.757 3.786 30 20 BHED C[C@H]1CCCC[C@H]1CCNc1ncccc1C#N 358223653 OJJPRZFTCLXUIN-STQMWFEESA-N 243.354 3.582 30 20 BHED C=CCC[C@H](NC[C@@H]1CC[C@@H](C)C1)C1CC1 381308753 MCPIZVILSGSAGR-NFAWXSAZSA-N 221.388 3.757 30 20 BHED CC(C)C(N[C@@H](C)c1ccc(C#N)cc1)C(C)C 385134798 VONPQEHWLAVEIA-ZDUSSCGKSA-N 244.382 3.889 30 20 BHED C=CC1CCN(Cc2oc(C(C)C)nc2C)CC1 428210350 IKXOBNWKPUBKSZ-UHFFFAOYSA-N 248.370 3.504 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@]1(C)CCC[C@H]1C 450641738 HZQWOESSVOIZCQ-IPYPFGDCSA-N 237.387 3.674 30 20 BHED C=CCCC1(C(=O)NCC(C)(C)C2CCC2)CC1 452781029 AIHFZMPWXMMJMB-UHFFFAOYSA-N 249.398 3.675 30 20 BHED C=CCC[C@H](CCC)NC[C@](C)(O)[C@H](C)CC 462109121 CSKSIQCXSLCVKO-ILXRZTDVSA-N 241.419 3.508 30 20 BHED C=CCn1c(SCC2CC2)nc2ccccc21 477569438 IDTKRRVNUZUPQM-UHFFFAOYSA-N 244.363 3.724 30 20 BHED C=CCC1(C(=O)NC[C@@H]2CCC[C@@H](C)C2)CCC1 479632944 CTOVYOXZFPPCEO-ZIAGYGMSSA-N 249.398 3.675 30 20 BHED C=CCCC[C@@H](C)Nc1ncc(C#N)cc1Cl 565638044 QHHLAYMXSXSAFQ-SNVBAGLBSA-N 249.745 3.763 30 20 BHED C=CCCCCN1CC[C@@H]1c1ccccc1 569795999 BWLDIDCQZGGKRJ-OAHLLOKOSA-N 215.340 3.790 30 20 BHED C=C(CC)COc1ccnc2cc(OC)ccc12 570700864 XKEHQLLQUOTCBN-UHFFFAOYSA-N 243.306 3.588 30 20 BHED CCCC[C@H](C)N(C)CC(C)(C)CCC#N 580016702 WSIPPGUMMDLBBI-ZDUSSCGKSA-N 224.392 3.827 30 20 BHED C=CCN(CC=C)C/C=C/c1ccc(F)c(F)c1 583467039 JCNNSRBQPCYDQJ-AATRIKPKSA-N 249.304 3.652 30 20 BHED C=CCC1(NC(=O)[C@H](C)CCCC)CCCC1 619111089 UVVMIVVLWMBANF-CYBMUJFWSA-N 237.387 3.818 30 20 BHED C=CCCCCN1C[C@H](C)C(F)(F)[C@H](C)C1 625653516 SEOSCYHDKZFLNP-TXEJJXNPSA-N 231.330 3.566 30 20 BHED C=CC[C@@H](C)[C@@H](C)NC1CC2(CCC2)C1 652051501 HMIDTHLMAIREBN-VXGBXAGGSA-N 207.361 3.509 30 20 BHED C=C1CCN(C(=O)CCC2CCCCCC2)CC1 654735888 VXBZRHUBNNOICQ-UHFFFAOYSA-N 249.398 3.916 30 20 BHED Cc1ccc(C=NNc2ccc(F)cc2)cc1F 731485818 BKEAYMHFCWQMCW-UHFFFAOYSA-N 246.260 3.719 30 20 BHED COc1cc(F)cc(NN=CCC(C)(C)C)c1 755770347 ZVZUMNWWHBGURK-UHFFFAOYSA-N 238.306 3.668 30 20 BHED Cc1ccc(/C=C/C(=O)c2cscn2)cc1C 769265638 RKMOGDLMIRQUMY-AATRIKPKSA-N 243.331 3.656 30 20 BHED C#CCCN[C@H](CCCC)c1ccc(OC)cc1 775354797 CVKIKTWSBZPESD-MRXNPFEDSA-N 245.366 3.539 30 20 BHED CC[C@@H]1CCC[C@H](C=NN[C@H](C)CC)C1 790190055 MXXIPDGMZAEXMQ-UPJWGTAASA-N 210.365 3.577 30 20 BHED C#C[C@H](CCC)NC(=O)C[C@@H](CC)CCCC 791745563 PHNULPIGHZLLBI-UONOGXRCSA-N 237.387 3.511 30 20 BHED C[C@@H]1CC(C)(C)CCC1=NNc1cccc(F)n1 795006593 DHBOYNXDLOESAI-SNVBAGLBSA-N 249.333 3.835 30 20 BHED CCCCCCCCCN[C@@H](C)c1ncc[nH]1 796678159 YSHRYCZWTZGSAO-ZDUSSCGKSA-N 237.391 3.811 30 20 BHED C=CCCCCCCNC(=O)c1cc(C)oc1C 805219987 CQBNVCKLYDEQLX-UHFFFAOYSA-N 249.354 3.763 30 20 BHED C=CCCCCCCN[C@H](CC)c1nccn1C 806167685 FMHYNVNUUXARKL-CQSZACIVSA-N 249.402 3.597 30 20 BHED C[C@H]1C[C@@H]1c1ccc(C=NNCC2CCCC2)o1 808006237 QGJSHYXAHAXKIP-FZMZJTMJSA-N 246.354 3.517 30 20 BHED C=CCCCCCCCN[C@H](C)[C@@H]1CCCO1 810243816 VBHJTPVXXOQKQV-CABCVRRESA-N 239.403 3.670 30 20 BHED CC(CCC1CCCCC1)=NNc1ccncn1 835002429 QNQCORZXOBRFQL-UHFFFAOYSA-N 246.358 3.625 30 20 BHED C=C(C)CON=C(C)[C@H](C)c1ccc(OC)cc1 844618944 OPZJUFJQTRNXHN-LBPRGKRZSA-N 247.338 3.767 30 20 BHED C=C[C@H](C)ON=C(C)CCc1ccsc1 844621729 LXBWAWKEYRBFBC-NSHDSACASA-N 223.341 3.648 30 20 BHED CC(C)c1ccccc1CNCC1(C#N)CCC1 848918230 SSUVALLVXBTPKV-UHFFFAOYSA-N 242.366 3.593 30 20 BHED C=CC(C)(C)CC(=O)N1CCC2(CCCCC2)C1 878971985 CZHRPFKIRNIYCT-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CC(C)(C)Cc1nc([C@@H](C)c2ccco2)no1 896926111 ACYNEERUZHBSIT-JTQLQIEISA-N 246.310 3.569 30 20 BHED COC[C@@H](SCCCCC#N)c1ccccc1 901655202 GFJUEHPXCRNFHO-CQSZACIVSA-N 249.379 3.801 30 20 BHED Cc1cccc(C)c1CN[C@@H](C)CC(C)(C)C#N 925547136 SFPBAOXIMXQBTG-AWEZNQCLSA-N 244.382 3.721 30 20 BHED CC(C)(C)ON=C1CC[C@H]1c1ccccc1 1320452076 ZPFQRJHGQMHRBK-LBPRGKRZSA-N 217.312 3.735 30 20 BHED CC(C)(C)ON=CCSCc1ccccc1 1320697258 VJRNZRUUKHHKLB-UHFFFAOYSA-N 237.368 3.721 30 20 BHED CCC/C(C)=C/C(=O)O[C@@H](CC#N)c1ccco1 1345548720 WGHXMTGFKPZYSW-NHAQELONSA-N 247.294 3.524 30 20 BHED N#Cc1ccc(CNC2CCCCCCC2)cc1 19910031 MEDKAHXFGDYHFR-UHFFFAOYSA-N 242.366 3.761 30 20 BHED C=C(C)CN(C)Cc1ccccc1C(F)(F)F 43643940 KJLVDGUOTBESMZ-UHFFFAOYSA-N 243.272 3.713 30 20 BHED CCCC1(CNCc2cc(C#N)cs2)CCC1 150805748 JFKWBJFGFKVLBS-UHFFFAOYSA-N 248.395 3.680 30 20 BHED C=CCN(CC=C)Cc1cnc(C2CCC2)s1 158143019 LNOYCMVCWBLPKQ-UHFFFAOYSA-N 248.395 3.585 30 20 BHED N#Cc1ccccc1OCCCCC(F)(F)F 161834621 BBSKUYKUMHSURE-UHFFFAOYSA-N 243.228 3.670 30 20 BHED Cc1cc(C#N)ccc1CN(C)[C@@H](C)C(C)(C)C 165466583 XUMMMFJLCNUFKH-ZDUSSCGKSA-N 244.382 3.733 30 20 BHED CCC[C@H](CNCCCCC#N)c1ccccc1 182195336 SYPRHWUMWYSUIT-MRXNPFEDSA-N 244.382 3.854 30 20 BHED CC(C)c1ccc(NC(=O)CC#N)c(C(C)C)c1 185674570 LYNYPNNSQLUIOE-UHFFFAOYSA-N 244.338 3.786 30 20 BHED CSc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 185723179 SWWLSBMYTMUUNT-RYUDHWBXSA-N 246.379 3.903 30 20 BHED C=CCC[C@@H](C(=O)N(C)CCC)c1ccccc1 187256215 DLZPPDQVQCXACT-OAHLLOKOSA-N 245.366 3.605 30 20 BHED C[C@H](CCC(C)(C)C)NCc1cccc(C#N)c1 237377897 MWLHPAXKJVEMCI-CYBMUJFWSA-N 244.382 3.863 30 20 BHED C[C@H]1CC[C@@H](NCCCC#N)c2ccccc21 273277043 PNRAZIGNXAIRFB-SWLSCSKDSA-N 228.339 3.518 30 20 BHED CC[C@@H](C#N)S[C@@H](C)c1ccccc1OC 275644335 JOXJHGZAJIJLFJ-QWRGUYRKSA-N 235.352 3.792 30 20 BHED C=CCCC[C@H](C)N[C@H](C)C1CCCC1 308821713 CGWFROIDOYXHFP-QWHCGFSZSA-N 209.377 3.900 30 20 BHED C=C(C)CNc1ccccc1OCC(C)C 309341973 KOBMTSHNBOKTSP-UHFFFAOYSA-N 219.328 3.709 30 20 BHED CCCC[C@@H](C)N(C)CCCC(C)(C)C#N 309428801 MBTGIVSOBNJZCX-CYBMUJFWSA-N 224.392 3.827 30 20 BHED C=CC[C@H](CC)N[C@H]1CCC[C@@H](C2CC2)C1 309702958 NHQYNLATCFYRLV-ILXRZTDVSA-N 221.388 3.900 30 20 BHED C=C(CC)CNCc1cccc(OC(C)C)c1 313488036 ZXJHWUFBJPVWFV-UHFFFAOYSA-N 233.355 3.530 30 20 BHED C=CCC(C)(C)CNc1nc(C)cc(C)c1C#N 336796261 QZOKWESDLDNPNK-UHFFFAOYSA-N 243.354 3.584 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1cccc(F)c1F 393798290 LBQCBYJTPPZYRK-GHMZBOCLSA-N 239.309 3.970 30 20 BHED C=CCC[C@H](CCC)NC[C@@H]1C[C@@H](C)O[C@@H]1C 414280482 LKFFOWVDESICEG-KBXIAJHMSA-N 239.403 3.524 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[C@@H]1C1CC1 424902762 XSPMBSVYTYYMNS-UONOGXRCSA-N 249.398 3.531 30 20 BHED C=CCCCN1CCC[C@@H]1Cc1ccccc1 522776213 QQKSPWBTNZBPDF-MRXNPFEDSA-N 229.367 3.660 30 20 BHED Cc1cc(C)c([C@H](C)N(C)C[C@@H](C)C#N)c(C)c1 533267170 BRBANPRTMLUYTA-WFASDCNBSA-N 244.382 3.764 30 20 BHED C=C(CC)CN(C)[C@@H](C)c1ccc(C)cc1 536880337 BKALLNOVNYNVOU-AWEZNQCLSA-N 217.356 3.954 30 20 BHED CC#CCCCC(=O)N[C@@H]1CCCC[C@H]1CCC 545220419 QMJIFGSGXRHGOP-HUUCEWRRSA-N 249.398 3.655 30 20 BHED C=CCC[C@H](C)NC1(c2cccc(OC)c2)CC1 552086131 YPXSMWYNCPABNI-ZDUSSCGKSA-N 245.366 3.629 30 20 BHED C=CCCCCCN1CC[C@H](c2cccnc2)C1 567585151 QZMYFHQVQONBKS-INIZCTEOSA-N 244.382 3.617 30 20 BHED C[C@@H](CCC#N)CN(C)[C@@H]1CCc2ccccc21 602437476 YQDZXXYDJVRYDE-XJKSGUPXSA-N 242.366 3.546 30 20 BHED C=CCC1(NC(=O)CC2CCCC2)CCCC1 619105726 ICGWAAVCKLXAFP-UHFFFAOYSA-N 235.371 3.572 30 20 BHED C=CCCC(C)(C)NC(=O)c1ccc(C=C)cc1 620857711 GSXYGNKSMBFZLV-UHFFFAOYSA-N 243.350 3.804 30 20 BHED C=CCCC(C)(C)NCc1ccccc1OC 657805087 JQCYFOBMSNIYFU-UHFFFAOYSA-N 233.355 3.530 30 20 BHED C=CCCC[C@@H](C)NC(=O)N(CC)[C@@H](C)CC 664590083 REUVHZASNYQGBH-OLZOCXBDSA-N 240.391 3.561 30 20 BHED C=C(CNC(=O)[C@H](C)CCCC)c1ccccc1 672478441 PQPTYULZRPGWJP-CYBMUJFWSA-N 245.366 3.642 30 20 BHED CCC#C[C@H](C)N[C@@H](C)[C@H](C)c1ccccc1 680385114 WZHGWTMOTMGFOL-KKUMJFAQSA-N 229.367 3.570 30 20 BHED Cc1ccc(N(CCCCC#N)C(C)C)cc1 726603106 WUBHGLLTZOSQIF-UHFFFAOYSA-N 230.355 3.904 30 20 BHED CC(C)(C)[C@H]1CCCC(=NNCC(F)F)CC1 746575848 LUHOWQUPHBQZLY-JTQLQIEISA-N 246.345 3.824 30 20 BHED CCC(=NOCC(F)(F)F)C1CCCCC1 764846251 FRFUZIHSMBHZHN-UHFFFAOYSA-N 237.265 3.912 30 20 BHED C=CC[C@H](N[C@H](C)[C@@H](C)CC)c1ccncc1 766020085 MFMSMAGPINILPA-GUTXKFCHSA-N 232.371 3.723 30 20 BHED C=CCN(Cc1cc(C)ccc1F)C(C)C 768546733 DIXJRGVDSUUWPI-UHFFFAOYSA-N 221.319 3.531 30 20 BHED CCCCCCCN[C@H](C)c1cnc(C)nc1C 776744350 SEISATXMVWTCPI-GFCCVEGCSA-N 249.402 3.714 30 20 BHED CC(=NOCCC(F)(F)F)c1ccc(C)cc1 777456237 VCYYDIYFSZGPDR-UHFFFAOYSA-N 245.244 3.688 30 20 BHED FC(F)(F)CCON=C1CCC[C@@H](C2CC2)C1 777458484 ILXJERQNOULJGZ-SNVBAGLBSA-N 249.276 3.912 30 20 BHED C[C@@H]1CC(=NNC2CCCCC2)C[C@@H](C)C1 786039882 ILOZNAVZFHULCS-RYUDHWBXSA-N 222.376 3.721 30 20 BHED Cc1cccnc1NN=C[C@H](C)c1ccccc1 790185613 HSMVKBONDIKYCP-ZDUSSCGKSA-N 239.322 3.591 30 20 BHED CC[C@@H](C)NN=C(C)C12CC3CC(CC(C3)C1)C2 790189880 RWJLRHDXMSSPSU-ORGDTZJYSA-N 248.414 3.967 30 20 BHED C[C@H](NN=Cc1ccc2[nH]ccc2c1)C(C)(C)C 793115212 PWFKDBFLKHCKOE-NSHDSACASA-N 243.354 3.526 30 20 BHED CC[C@@H](C)CON=C(C)CCc1ccc(O)cc1 793164744 XUHNOMTZPSOYNX-GFCCVEGCSA-N 249.354 3.763 30 20 BHED CCc1ccc(C(C)=NOC2CCC2)s1 812237370 WZJKQWBLEQTAJT-UHFFFAOYSA-N 223.341 3.604 30 20 BHED C=CCC(F)(F)C(=O)N[C@@H](C)CCC(C)(C)C 815659543 FBNMZCYZCCMFOJ-JTQLQIEISA-N 247.329 3.529 30 20 BHED C=C[C@H](C)ON=C1CCC[C@H](C2CC2)C1 844621807 NJWXLKZVCGOKPC-JQWIXIFHSA-N 207.317 3.534 30 20 BHED CC(C)(C#N)OC(=O)CCC1CCCCCC1 847662522 QVLWYCGYMULHNH-UHFFFAOYSA-N 237.343 3.582 30 20 BHED C=CCCN[C@@H](CC)c1cc(Cl)ccc1O 850501357 APLDXVNQDPDICZ-LBPRGKRZSA-N 239.746 3.662 30 20 BHED C=C[C@@H](OC(=O)[C@@H]1C[C@H]1c1ccco1)C(C)(C)C 860737579 GPPUALFDVLREGH-NQBHXWOUSA-N 248.322 3.527 30 20 BHED C=C1CCC(C(=O)N(C)c2ccc(F)cc2)CC1 888304085 MWXDGPYXLNMIAJ-UHFFFAOYSA-N 247.313 3.535 30 20 BHED C=C1CCC(c2nc(C3CCC3)no2)CC1 896016732 DXKBMJIPGVKDEK-UHFFFAOYSA-N 218.300 3.551 30 20 BHED N#CC1(CCCCN2CC[C@H](C3CC3)C2)CCC1 930140587 WJIYJMBXSFZXAH-HNNXBMFYSA-N 246.398 3.582 30 20 BHED Cc1cccnc1CSCCCC(C)(C)C#N 1319857853 APPWIUFWBPLXOP-UHFFFAOYSA-N 248.395 3.953 30 20 BHED CCc1ccc(COc2ccc(C#N)cc2)cc1 49961533 NCYLQZBYQBJRIR-UHFFFAOYSA-N 237.302 3.700 30 20 BHED O=C(/C=C/c1ccccc1F)c1ccccc1F 78281359 FFWSKGOESIYIBD-MDZDMXLPSA-N 244.240 3.861 30 20 BHED C[C@H]1CC(Nc2ccc(C#N)cc2)C[C@H](C)C1 84439138 MHOXZKSCZWFFLF-VXGBXAGGSA-N 228.339 3.795 30 20 BHED N#Cc1cnc2ccccc2c1N[C@H]1CC=CCC1 88748726 MFKMATOIXUPNDQ-ZDUSSCGKSA-N 249.317 3.627 30 20 BHED C[C@H]1CCC[C@@H](CNc2ccc(CC#N)cc2)C1 89607046 YDNRMCCLYVPBOD-DZGCQCFKSA-N 242.366 3.991 30 20 BHED C=CCC[C@@H](C)NCc1ccccc1CC 126849248 KXMQUWPUXQARNW-CYBMUJFWSA-N 217.356 3.693 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cccc(F)c1F 133645811 OJOMUYZTPPENJG-UWVGGRQHSA-N 225.282 3.580 30 20 BHED C=CCC[C@@H](NC(=O)[C@@H](C)CC)c1ccccc1 133937668 CNYFBXLWPNRXCY-DZGCQCFKSA-N 245.366 3.856 30 20 BHED C=C(C)CN(CC)C(=O)C1(CC(C)C)CCC1 155857531 JSZHOFNLVITKEI-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=C(C)COc1cccc(NC(=O)/C(C)=C/C)c1 175964373 BVUFGYPQBHEUMD-LFYBBSHMSA-N 245.322 3.546 30 20 BHED C=CCN[C@H](CC)C(C)(C)c1ccccc1 180010267 LQVKIWLOTKTKLE-CQSZACIVSA-N 217.356 3.518 30 20 BHED Cc1cccc(C)c1/C=C/C(=O)c1ccncc1 182242645 GZSIQHVKZAEPOQ-VOTSOKGWSA-N 237.302 3.595 30 20 BHED Cc1cccc2nc(NCCCCC#N)sc12 280701843 KJXIBFWFNHDFQK-UHFFFAOYSA-N 245.351 3.711 30 20 BHED C=CCC[C@@H](NCCCSC)c1ccco1 286128880 OLKWAKKCKVNPLW-GFCCVEGCSA-N 239.384 3.630 30 20 BHED CCC[C@H]1CCCN(c2ccc(C#N)cc2)C1 301612486 FZLVZEULADYOQU-AWEZNQCLSA-N 228.339 3.575 30 20 BHED N#Cc1ccc(NCC2(C3CC3)CCC2)c(F)c1 301795418 PTMLXMFCSNUWIE-UHFFFAOYSA-N 244.313 3.690 30 20 BHED C=CC[C@H](C)NCc1ccc(SC)s1 336644921 AVNOJTKYBBVXFM-VIFPVBQESA-N 227.398 3.524 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C 410478172 YJLULPUGLFWMLS-JHJVBQTASA-N 237.387 3.530 30 20 BHED CCCN(CCC)[C@H](C)c1cccc(C#N)c1 411169500 SYQOKTYJJVGVBB-CYBMUJFWSA-N 230.355 3.741 30 20 BHED C=CCC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccco1 424317274 BQQDFEWYLXQAIF-BFHYXJOUSA-N 244.338 3.569 30 20 BHED Cc1ccccc1[C@@H](C)N(C)CC(C)(C)C#N 433316965 BXLHDEKTTKLLMY-CYBMUJFWSA-N 230.355 3.538 30 20 BHED CC(C)[C@H](c1ccc(F)cc1)N(C)CCCC#N 434620829 MBQFGTWSVVTPQN-OAHLLOKOSA-N 248.345 3.758 30 20 BHED C[C@H]1CCC(C)(C)N1Cc1ccc(CC#N)cc1 452016868 WQJGVVZKUJSKTD-ZDUSSCGKSA-N 242.366 3.516 30 20 BHED C=CCC[C@H](CC)NC[C@H]1CCOC(C)(C)C1 453404024 DJISLMHSURRYSC-KBPBESRZSA-N 239.403 3.526 30 20 BHED C=C[C@](C)(CC)C(=O)NCC(C)(C)CC(C)C 467975887 VSYAJJOMWGUITR-OAHLLOKOSA-N 239.403 3.777 30 20 BHED C=CC[C@@H](CC)NC(=O)Nc1cc(C)cc(C)c1 500102351 CJGIEAABMLJKRC-CYBMUJFWSA-N 246.354 3.780 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CCCC(C)(C)C1 504882593 OHPJDUBOZVIMTI-GFCCVEGCSA-N 237.387 3.674 30 20 BHED C=C(C)CN(Cc1ccccc1)[C@H](C)CC 507695934 XZQDUOSDIXUTLT-CQSZACIVSA-N 217.356 3.863 30 20 BHED C=CCCC(=O)Nc1ccc(C)c(Cl)c1 523958202 RMHIMMILUTYMSN-UHFFFAOYSA-N 223.703 3.553 30 20 BHED C=CCC[C@H](CC)N[C@H]1CCO[C@H](C(C)C)C1 536819608 FQDJDOIBJNCJGF-KKUMJFAQSA-N 239.403 3.524 30 20 BHED C=C(CC)CN1[C@H](C)C[C@@H]2CCCC[C@H]21 536894422 VCJIBFFXDAHJDU-HZSPNIEDSA-N 207.361 3.606 30 20 BHED CC(C)(CC#N)CSCc1ccccc1 565239616 XNEYCIRDYDAOCP-UHFFFAOYSA-N 219.353 3.860 30 20 BHED Cc1ccccc1[C@@H](C)NC[C@H](C)CCC#N 602498318 HVQBWJBUDSEXFH-TZMCWYRMSA-N 230.355 3.586 30 20 BHED CC(C)C1CCC(NC[C@H](C)CCC#N)CC1 602576871 REYUSKYIPUNUDO-WLYUNCDWSA-N 236.403 3.731 30 20 BHED CC[C@H]1CCCC(=NOCc2cccnc2)C1 746588738 RMKXLLBVOVMVMB-LBPRGKRZSA-N 232.327 3.554 30 20 BHED COc1cccc(C=Nc2cscc2C)c1O 747691070 UZMRNDBCCZPNFG-UHFFFAOYSA-N 247.319 3.521 30 20 BHED C#CCCN1CCC[C@H]1c1ccccc1Cl 752856001 NSQLNVASFGYSDE-AWEZNQCLSA-N 233.742 3.500 30 20 BHED CCCCCCC[S@@](=O)CCC(F)(F)F 766876784 UBRQURDECAHKRO-OAHLLOKOSA-N 244.322 3.658 30 20 BHED CCCCCCNCc1ccc(C#N)c(C)c1 767661962 HQHQDMKCMWREDF-UHFFFAOYSA-N 230.355 3.537 30 20 BHED C#CCCCCC(=O)N1CCCC[C@@H]1[C@H](C)CC 773402542 SDVBTCIXMHNAOF-HUUCEWRRSA-N 249.398 3.607 30 20 BHED CC1(C)CCC(=NNc2cccc([N+](=O)[O-])c2)C1 783785915 JPOFEYLFMNWUQE-UHFFFAOYSA-N 247.298 3.573 30 20 BHED C[C@@H](NN=C1CCC12CCCC2)C(C)(C)C 793115864 PTECGUBTJREAMT-LLVKDONJSA-N 222.376 3.721 30 20 BHED C#CCCCCCC(=O)N[C@H](C)c1ccsc1 801015442 AHDGUXOBSQNSPL-GFCCVEGCSA-N 249.379 3.509 30 20 BHED Fc1cccc(C2CC(=NOCCC3CC3)C2)c1 814246517 PYIOPLPWMYLTKS-UHFFFAOYSA-N 247.313 3.876 30 20 BHED CC(C)=CCC[C@H](C)CC(=O)O[C@@H](C)CC#N 842717654 ZAMQVTIOYZIYIT-STQMWFEESA-N 237.343 3.604 30 20 BHED C=CC[C@@H](C)C(C)=NNc1ccnc(Cl)c1 853394574 TXUWBVMHQKGCQJ-SECBINFHSA-N 237.734 3.735 30 20 BHED C=CC(C)(C)C(=O)N1Cc2ccccc2[C@H]1CC 890612922 CSZMZBQBCJYAKF-CQSZACIVSA-N 243.350 3.692 30 20 BHED CC(C)n1cncc1/C=C1/CCCC(C)(C)C1=O 901483548 ROLCRGGLNYKHSV-WQLSENKSSA-N 246.354 3.627 30 20 BHED CC(C)=CCCSCc1cc(C#N)ccn1 901803701 QQOKMPGWNOSFOF-UHFFFAOYSA-N 232.352 3.543 30 20 BHED C=C[C@@H](CC)Cc1nc([C@H](C)SCC)no1 904023437 QWKAIOAPEIOARQ-UWVGGRQHSA-N 240.372 3.638 30 20 BHED CCCCCCCCSc1ncccn1 915790483 IWBIGTITPBHQEK-UHFFFAOYSA-N 224.373 3.929 30 20 BHED C=C(Cl)CN(C)C[C@@H](C)C1CCCCC1 1175238278 JDDCFVKXXVDZRJ-LLVKDONJSA-N 229.795 3.887 30 20 BHED CC[C@H]1CCCC[C@@H]1CNc1cccc(C#N)n1 1307128745 FGIAWMKDCIULSV-QWHCGFSZSA-N 243.354 3.582 30 20 BHED CCCN(CC1CCCCC1)[C@@H](C)CCC#N 1307426795 FSDDZRRJOQSYHI-AWEZNQCLSA-N 236.403 3.971 30 20 BHED C=C(Cl)CN(Cc1ccc(CC)cc1)C1CC1 71951840 LNISBQJRSIMODZ-UHFFFAOYSA-N 249.785 3.966 30 20 BHED C#CCCCCN[C@@H](C)c1cc2ccccc2o1 90398641 KCSFXHKNNXUNNA-ZDUSSCGKSA-N 241.334 3.887 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cccc(Cl)c1 116907709 FRXFOYPCIPUPSU-WDEREUQCSA-N 223.747 3.955 30 20 BHED C[C@@H](c1ccc(C#N)cc1)N1C[C@H](C)C[C@@H](C)C1 118390318 AXGHDBGWHKLVRX-MCIONIFRSA-N 242.366 3.597 30 20 BHED Cc1cc(C#N)ccc1CSc1nccs1 165998568 MGWWQPBUPHNRSK-UHFFFAOYSA-N 246.360 3.616 30 20 BHED C=C(C)CN[C@H](c1ccccc1)C1CCC1 174847363 CGIALLJGSUNRTL-OAHLLOKOSA-N 215.340 3.694 30 20 BHED C=C(C)CN[C@H](C)c1cccc(N2CCCC2)c1 181891309 YECJFFQNCWYHTJ-CQSZACIVSA-N 244.382 3.514 30 20 BHED Cc1ccc(C#N)cc1OCc1cccc(F)c1 229947487 JBZLKCBUBAJVAL-UHFFFAOYSA-N 241.265 3.585 30 20 BHED CC(C)(C#N)CCCCOc1ccccc1C#N 232521948 KUXJBDCWJVFDOH-UHFFFAOYSA-N 242.322 3.657 30 20 BHED C=C[C@H](C)NCc1ccc(-c2ccc(C)cc2)o1 237562734 GBKNXNRHSALVCI-ZDUSSCGKSA-N 241.334 3.919 30 20 BHED Cc1ccc(C=NOCc2ccccc2F)cc1 255368639 GWKGTLPUJOTERN-UHFFFAOYSA-N 243.281 3.685 30 20 BHED C[C@@H]1[C@@H](Nc2cc(F)cc(C#N)c2)CCC[C@H]1C 299933841 SQRSTDGGRJZHKZ-ZETOZRRWSA-N 246.329 3.934 30 20 BHED N#Cc1nc(Oc2cccc(F)c2)ccc1Cl 301526682 JJZNGCLTPCYEFH-UHFFFAOYSA-N 248.644 3.538 30 20 BHED C=C[C@H](C)N[C@H](C)[C@H](C)c1ccc(Cl)cc1 309500701 UVEGNZJZNUYOID-SDDRHHMPSA-N 237.774 3.996 30 20 BHED CCC[C@@H](Nc1cccc(C#N)c1)C1CCC1 322462723 LZVLUTVSHZZHJT-OAHLLOKOSA-N 228.339 3.939 30 20 BHED Cc1cnc([C@H](C)/N=C(/O)C[C@@H]2C=CCCC2)o1 330327544 VOYOTEKBUOAFBX-NWDGAFQWSA-N 248.326 3.747 30 20 BHED C=CCC1(C(=O)N2CC3(CCCCC3)C2)CCC1 334529935 NFXYNISOLUMLPV-UHFFFAOYSA-N 247.382 3.526 30 20 BHED C=CCSCc1cc(-c2ccccc2)no1 349088951 NDBXAIDUOIMXEU-UHFFFAOYSA-N 231.320 3.761 30 20 BHED C=CC[C@H](Cc1ccccc1)NC1CCCC1 414303837 OCALAINZOMJJBV-MRXNPFEDSA-N 229.367 3.706 30 20 BHED C=C(C)CCN1CCC[C@@H](c2ccccc2)C1 433047952 VDMHWQBCENLFLR-MRXNPFEDSA-N 229.367 3.832 30 20 BHED C=CC(C)(C)C(=O)N[C@@H](CCC)CCCC 450103640 KCAYPOSEJYEHQQ-LBPRGKRZSA-N 225.376 3.674 30 20 BHED C=CCC1(c2nc(-c3ccoc3)no2)CCCC1 453182898 STSPETYVTUAQRO-UHFFFAOYSA-N 244.294 3.718 30 20 BHED C=C(C)CCN1CCC[C@H]2CCCC[C@@H]21 509023846 YTXJDHWMBPGRDJ-KGLIPLIRSA-N 207.361 3.607 30 20 BHED C=C(C)CCN1C[C@H](c2ccccc2)C[C@@H]1C 509695303 GTEDFGUDQXOIEL-GOEBONIOSA-N 229.367 3.831 30 20 BHED C=CCCCSCCOc1ccccc1F 522756104 JJTUUNKUKGGKKN-UHFFFAOYSA-N 240.343 3.904 30 20 BHED CCN(CC#Cc1ccc(F)cc1)[C@H](C)C(C)C 533322821 KTLHGJCPQMRHFH-CQSZACIVSA-N 247.357 3.544 30 20 BHED C=CCC(CC=C)c1nc(-c2ccc(C)o2)no1 562476755 XNPNLOFWXFDQEW-UHFFFAOYSA-N 244.294 3.874 30 20 BHED CCN(CCC1CCCCCC1)C[C@H](C)C#N 577985804 LYVDFVFCECZFJK-CQSZACIVSA-N 236.403 3.828 30 20 BHED C=C1CCN([C@@H](C)c2c(F)cccc2F)CC1 594733952 AUQTWTJERWCJGS-NSHDSACASA-N 237.293 3.678 30 20 BHED C=CC[C@H]1CCCC[C@H]1NCc1ccnc(C)c1 658025432 BTXHGDOQPCWKJF-JKSUJKDBSA-N 244.382 3.615 30 20 BHED CC#CCOC(=O)[C@H](CC)CC1CCCCC1 745041040 ZFHWMLCYZZXVHC-CQSZACIVSA-N 236.355 3.550 30 20 BHED C=C(Cl)COC(=O)C1CCCCCCC1 745123899 UPALBSASXCABDH-UHFFFAOYSA-N 230.735 3.643 30 20 BHED C#CCCS[C@H](CC)c1ccccc1 751786194 KZMZOOPZAYRKIM-CYBMUJFWSA-N 204.338 3.894 30 20 BHED CCCC=NOc1ccccc1C(F)(F)F 755815914 LEGAJAIAKBSECD-UHFFFAOYSA-N 231.217 3.870 30 20 BHED Fc1c(Cl)cccc1C=NNc1ccccc1 759646048 BBXLPZXZFAHMOH-UHFFFAOYSA-N 248.688 3.925 30 20 BHED C#CCCCSc1ncc(C(C)(C)C)s1 766294796 YUPPBSVAXDYDCY-UHFFFAOYSA-N 239.409 3.946 30 20 BHED C#CCCCN[C@@H]1C[C@@H](C(C)C)c2ccccc21 774211639 VDDNFOKSLRIARW-DLBZAZTESA-N 241.378 3.874 30 20 BHED C#CCCN[C@H](c1cccc(C)c1)C(C)(C)C 775523157 FLDALIWMJBBDPI-OAHLLOKOSA-N 229.367 3.695 30 20 BHED CCCCCCCN[C@H](C)c1cccc(CO)c1 776744413 SSMVHSABSVNMHE-CQSZACIVSA-N 249.398 3.800 30 20 BHED CC(C)(C)CCNN=Cc1sccc1Cl 782267665 HDIXVNGUBPHLLL-UHFFFAOYSA-N 244.791 3.761 30 20 BHED CC[C@H](C)CC(=O)O[C@H](C)c1cccc(C#N)c1 791800912 KHRSJERNTAPTQJ-NWDGAFQWSA-N 245.322 3.599 30 20 BHED CSCCON=C1CCC(C)(C)C[C@H]1C 794574117 WDLUHXCJKYYHFL-SNVBAGLBSA-N 229.389 3.568 30 20 BHED CCC1CCC(=NNc2cccc(F)n2)CC1 795007203 UMJOLNJQJSLWPS-UHFFFAOYSA-N 235.306 3.589 30 20 BHED CC[C@@H]1CCC1=NNc1cc(C)ccc1F 807976729 RTVVSODMULOJHB-SNVBAGLBSA-N 220.291 3.722 30 20 BHED C=CCCCCCn1cnc(Cl)c1Cl 809961993 YEYXPCCRBWDDLN-UHFFFAOYSA-N 233.142 3.936 30 20 BHED Cc1cc(C#N)cc(NCc2cc(C)oc2C)c1 825290428 XRXSUBNEPIOYRD-UHFFFAOYSA-N 240.306 3.689 30 20 BHED CCOc1ccc(S[C@@H]2CC[C@@H](C#N)C2)cc1 828911052 IERWBHMNEDZERY-BXUZGUMPSA-N 247.363 3.870 30 20 BHED C=CCCCCn1cnc(Cl)c1Cl 829439178 ZKGILEOIRUAVJM-UHFFFAOYSA-N 219.115 3.546 30 20 BHED CCCCCCC(=O)O[C@@H]1CCC[C@H](C#N)C1 839060134 YXUVWTSCCBPBII-QWHCGFSZSA-N 237.343 3.582 30 20 BHED C=CC(C)(C)CC(=O)Nc1ccc(OC)cc1C 878649200 XJAUHSQJUJHFSW-UHFFFAOYSA-N 247.338 3.544 30 20 BHED CCc1ccccc1NN=Cc1ccc(C#N)cc1 915051817 TYCBQVCIWYDGPF-UHFFFAOYSA-N 249.317 3.567 30 20 BHED Cc1ccc(CSCCCC(C)(C)C#N)nc1 1116481806 FSARUBIITOLKNC-UHFFFAOYSA-N 248.395 3.953 30 20 BHED C=CC1CCN([C@@H]2CCc3c(F)cccc32)CC1 1330693436 BCNOAVBYKWTXHG-MRXNPFEDSA-N 245.341 3.711 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H](C)c1ccc(F)cc1 1340849198 GVTTWBZRNVLEAE-LLVKDONJSA-N 249.329 3.605 30 20 BHED C=C(C)CCC(=O)Nc1cccc(COCC)c1 1357880821 PNHCZNHIHGDSRW-UHFFFAOYSA-N 247.338 3.518 30 20 BHED C[C@@H](Nc1ncccc1C#N)C1CCCCCC1 1458311107 QFBVOAAWSKVCLC-GFCCVEGCSA-N 243.354 3.724 30 20 BHED C=C(Cl)CN1CCC[C@H]1[C@@H](C)CCC 1644935276 SPYAYSZYZJLRPD-JQWIXIFHSA-N 215.768 3.640 30 20 BHED Cc1cc(NCCC2CCCCC2)ncc1C#N 1654963326 LDEZSCCBGDCNIV-UHFFFAOYSA-N 243.354 3.644 30 20 BHED C=C[C@@H](C)N[C@@H](CC)c1cc(C)ccc1OC 91736071 IDBZIQACYBYSJU-OCCSQVGLSA-N 233.355 3.619 30 20 BHED C=CCS[C@@H](C)c1ccc(C#N)cc1 118444452 IXUQUKLHBPTSSH-JTQLQIEISA-N 203.310 3.538 30 20 BHED C=CC[C@H](C)N[C@H](CC)c1ccc2c(c1)CCO2 163315760 GHXWDCGXODMRAP-SWLSCSKDSA-N 245.366 3.627 30 20 BHED CCCCCCCC(=O)N(CC)c1cccnc1 170779367 UTRMBQGXOPAQLB-UHFFFAOYSA-N 248.370 3.795 30 20 BHED C=CCS[C@H](C)c1nc2ccccc2o1 183272163 KNKRDVSJOWLSLP-SECBINFHSA-N 219.309 3.808 30 20 BHED C=CCC[C@@H](CCC)NCC1(SC)CC1 193816664 OHENORIQOIYQGU-GFCCVEGCSA-N 227.417 3.607 30 20 BHED Cc1ccsc1CNc1cc(F)cc(C#N)c1 227623917 MAZUIMSIPIBZPN-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C=CC[C@H]1N(C(=O)C2CC=CC2)CCCC1(C)C 278495459 WQCCDJIDVQYNLH-CQSZACIVSA-N 247.382 3.546 30 20 BHED CN(CCCC(C)(C)C)Cc1cccc(C#N)c1 301951180 DQOJFWQLVNMQEQ-UHFFFAOYSA-N 244.382 3.816 30 20 BHED CCN(Cc1cccc(C#N)c1F)[C@H](C)C(C)C 340944929 WWOPYYSCEGLOMA-GFCCVEGCSA-N 248.345 3.564 30 20 BHED CC(C)(C#N)CCSC[C@@H]1CCC(C)(C)O1 342028675 YDUHUQWILOMMOI-NSHDSACASA-N 241.400 3.617 30 20 BHED CCC(C)(C)C1CCC(NCCCC#N)CC1 357276881 VNUXYQFRVYGEOX-UHFFFAOYSA-N 236.403 3.875 30 20 BHED C=CCC(C)(C)C(=O)N1CC2(CCC2)[C@H]1C(C)C 359189336 YKUDNYUKWVIASV-CYBMUJFWSA-N 249.398 3.626 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1ccc(C)cc1F 398159457 VRIIBPFNMPGVSN-GFCCVEGCSA-N 249.329 3.609 30 20 BHED CC[C@@H](CS[C@@H](C)c1cccc(C#N)c1)OC 419470449 YAHVAYDOXQPOEM-FZMZJTMJSA-N 249.379 3.777 30 20 BHED Cc1cccc([C@@H](C)N(C)CC(C)(C)C#N)c1 433306610 STWNHTGCXZIUSN-CYBMUJFWSA-N 230.355 3.538 30 20 BHED CCCC1(CNCc2ccc(C#N)c(C)c2)CC1 443995260 GVCGOWOHQICOLD-UHFFFAOYSA-N 242.366 3.537 30 20 BHED C=CCCCCCN(C#N)c1ccccc1 447307670 WQSKJUIKFQVAMW-UHFFFAOYSA-N 214.312 3.720 30 20 BHED C=C[C@@H](C)N[C@H](C)Cc1coc2ccccc12 449195885 WQXDXOZPBYRPOY-VXGBXAGGSA-N 229.323 3.528 30 20 BHED C=CCCCC[C@H](C)N[C@@H](CC)C(F)F 449364191 RIKQQXZOUGYQBM-QWRGUYRKSA-N 219.319 3.755 30 20 BHED C=C(C)CCN[C@@H]1CCC[C@@H](c2cccnc2)C1 449475166 KRRXJWIDFVZYCT-GDBMZVCRSA-N 244.382 3.664 30 20 BHED C=CC(C)(C)CNC(=O)[C@@H]1CCC[C@H]1CCC 452779247 AZIHVUULYHNXIP-CHWSQXEVSA-N 237.387 3.531 30 20 BHED C=CC[C@@H]1N(C(=O)[C@H](C)C2CC2)CCCC1(C)C 470273895 OBHKJGXFNFCZDG-OCCSQVGLSA-N 249.398 3.626 30 20 BHED C=CCN1C[C@@H](C)CC[C@@H]1c1ccccc1 512188433 YMANLKBRUVCVIG-DZGCQCFKSA-N 215.340 3.646 30 20 BHED C=C1CCN(Cc2cccc3ccccc23)CC1 513443797 PYLOMYQDEYXXAO-UHFFFAOYSA-N 237.346 3.992 30 20 BHED CC(C)(CCC#N)CN1CC=C(C(C)(C)C)CC1 535809949 ROSBILABWZFCFK-UHFFFAOYSA-N 248.414 3.995 30 20 BHED Cc1c(C#N)c(C(C)(C)C)nc2cc(F)ccc12 542189401 UTZMJFUFIXUXNK-UHFFFAOYSA-N 242.297 3.852 30 20 BHED C=CCOCCSc1ccc(C)cc1C 549307587 YEMYPHTYUXJELD-UHFFFAOYSA-N 222.353 3.598 30 20 BHED CC[C@@H](c1ccc(Cl)cc1)N1CC(C)(C#N)C1 565342447 ZRJPGDUEUOVDSA-ZDUSSCGKSA-N 248.757 3.637 30 20 BHED CCCC[C@H](C)N(CCCC)CC1(C#N)CC1 572140151 VQHLCZKFDCTNSX-AWEZNQCLSA-N 236.403 3.971 30 20 BHED FC(F)(F)c1cccnc1C#Cc1ccccc1 585145008 RZSCJYVDXQPCOZ-UHFFFAOYSA-N 247.219 3.500 30 20 BHED Cc1cc(SCC(C)(C)CC#N)ccc1C#N 594914480 UBHYBEYVGGJLJG-UHFFFAOYSA-N 244.363 3.899 30 20 BHED N#CC[C@@H]1CCCN(CCCC2CCCC2)C1 595613462 DMRCBVADFSEAIT-HNNXBMFYSA-N 234.387 3.582 30 20 BHED C=C(C)CSC[C@H](CC)CC(F)F 596348937 SBQPFIMXQQMMSI-SECBINFHSA-N 208.317 3.977 30 20 BHED C=CCN(C(=O)[C@@H]1CCC[C@H]1CC)C(C)(C)C 622945712 PBGMJSDWXKKQDU-CHWSQXEVSA-N 237.387 3.626 30 20 BHED CCCCCCCOC(=O)[C@H](C)c1ccco1 744046747 HFMOVHDFHMGSFN-GFCCVEGCSA-N 238.327 3.897 30 20 BHED C#CCCCNc1ccc(OC2CCC2)c(F)c1 766725735 PBMLADWWRAEROU-UHFFFAOYSA-N 247.313 3.582 30 20 BHED C#CCCCSCc1cccc(F)c1F 766738928 QDIANRZECNXJMC-UHFFFAOYSA-N 226.291 3.611 30 20 BHED C[C@H]1CC(=NNCC2CCCC2)C[C@H](C)C1 808006341 UNAUKZKOPFBXLC-VXGBXAGGSA-N 222.376 3.578 30 20 BHED CC(C)c1cccc(CON=CC2CC2)c1 853735842 BMVHBGAZLFSAEM-UHFFFAOYSA-N 217.312 3.722 30 20 BHED C#CCCCS[C@H](COC)c1ccccc1 901660902 DIRMBVPPPAODOS-CQSZACIVSA-N 234.364 3.521 30 20 BHED CON=Cc1ccc(-c2ccccc2F)s1 912809024 JMNUBHDXYRTXTQ-UHFFFAOYSA-N 235.283 3.535 30 20 BHED Cc1ccc(C=NNc2ccccc2)cc1C 915933448 WYEXAPFEPPAJLK-UHFFFAOYSA-N 224.307 3.749 30 20 BHED CCCC(C)=NNc1ccccc1Cl 916262183 AZKNMNKLWITSBQ-UHFFFAOYSA-N 210.708 3.928 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1cc(O)c(C)cc1C 935396095 PVSTURIQBXJQRO-LBPRGKRZSA-N 247.338 3.550 30 20 BHED N#Cc1ccnc(/C=C/c2ccccc2Cl)c1 1116868928 TYLRFDHGISYAGH-AATRIKPKSA-N 240.693 3.777 30 20 BHED CC(C)CC[C@@H]1CC[C@H](NCC2(C#N)CCC2)C1 1179771719 LXCHLPULROGUFR-CABCVRRESA-N 248.414 3.875 30 20 BHED C=C(Cl)CN1CCCC[C@H]1CC(C)C 1459724109 VOIGLCAOHTYVFN-LBPRGKRZSA-N 215.768 3.640 30 20 BHED Cc1cc(NCc2ccc(C#N)cc2)ccc1F 61096739 KYCRAAQIRIWXRB-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CCCCSc1cccc(F)c1C#N 88362493 DKESQORCHAVLSD-UHFFFAOYSA-N 209.289 3.590 30 20 BHED CCCCCCCCCCN1CCC(O)CC1 88379351 BOCJHWYSTAKDBS-UHFFFAOYSA-N 241.419 3.584 30 20 BHED C=CCCSc1ncnc2sc(C)cc12 90201569 AOAJQBYKRUSRRV-UHFFFAOYSA-N 236.365 3.668 30 20 BHED C=C(CC)COc1ccc(C#N)cc1Cl 97208088 IVZMAUQOBTZOIQ-UHFFFAOYSA-N 221.687 3.557 30 20 BHED N#Cc1ccsc1NC(=O)C1CCCCCC1 101807948 OEFQHGYMMYVNNN-UHFFFAOYSA-N 248.351 3.529 30 20 BHED CC(C)N(CCCCC#N)C1CCCCC1 102768523 IXVDYNAMNHDALR-UHFFFAOYSA-N 222.376 3.723 30 20 BHED C=CC[C@H](C)NCc1ccccc1C(F)(F)F 116927299 NWYNWHURBNZSJP-JTQLQIEISA-N 243.272 3.760 30 20 BHED CS[C@H]1CCC[C@H](Nc2ccc(C#N)cc2)C1 117327858 HCLBDFURJUDHGJ-KBPBESRZSA-N 246.379 3.644 30 20 BHED C=CCC[C@@H](C)NCc1cccc2cccnc12 130572709 ZXDCIUZBKSOUDV-CYBMUJFWSA-N 240.350 3.679 30 20 BHED CCC[C@H](NCCCC#N)C1CCCCC1 132586474 ODWSCDHSHIGKKO-AWEZNQCLSA-N 222.376 3.629 30 20 BHED CCCCCCCOc1ccc(F)nc1 135328354 QLBHZHSMLBGZGK-UHFFFAOYSA-N 211.280 3.570 30 20 BHED C=CCCCCCN(C)C(=O)c1cccs1 156836679 PMQYYUAUAMPBCA-UHFFFAOYSA-N 237.368 3.567 30 20 BHED C=CC[C@@H](C)NCc1ccc(F)c(Cl)c1 160149875 ZCAAAGLTHLXAGT-SECBINFHSA-N 227.710 3.533 30 20 BHED C=CCCCN[C@@H](CC)c1ccc(OC)cc1 181824579 DGYDAMNIYCYQPJ-HNNXBMFYSA-N 233.355 3.702 30 20 BHED CCCC1(CN[C@H]2CCC[C@H](C#N)C2)CCC1 185857557 FCQZAXXAODKNEE-KBPBESRZSA-N 234.387 3.629 30 20 BHED C[C@H](NCC(C)(C)CCC#N)c1ccccc1F 229690033 VWOPSKKJYCFKRE-LBPRGKRZSA-N 248.345 3.806 30 20 BHED C#CCCCNCc1ccc(-c2ccccc2)cc1 230705388 WGMPRXKUQJGAHC-UHFFFAOYSA-N 249.357 3.857 30 20 BHED C=CC[C@H](C)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 252733505 ZSKCSRMFQPISNU-ZQDZILKHSA-N 221.388 3.900 30 20 BHED N#Cc1ccc(/C=C\c2ccc3c(c2)CCC3)nc1 255361263 XYMGQFRKUHOZCY-YVMONPNESA-N 246.313 3.612 30 20 BHED C=CC[C@H](C)[C@@H](C)Nc1cccc(OCC#N)c1 272911837 HXPDQGRYIUWPOZ-QWHCGFSZSA-N 244.338 3.602 30 20 BHED C=C(C)CN1CCS[C@H](C)[C@@H]1c1ccccc1 303689526 LOCLJCKSEHVFKD-UKRRQHHQSA-N 247.407 3.741 30 20 BHED C[C@H]1CC[C@@H](C(O)=Nc2cccc3ocnc23)C1 328900948 YNAWWXUOQOLRFW-VHSXEESVSA-N 244.294 3.852 30 20 BHED C=CCC[C@@H](NCC1(CC#N)CC1)c1ccco1 353589600 QZLCWQOBSODIPR-CYBMUJFWSA-N 244.338 3.570 30 20 BHED C=CCN(Cc1cc(C)sc1C)C1CC1 357526887 GXIPXJVQZWXZBZ-UHFFFAOYSA-N 221.369 3.515 30 20 BHED CC(C)[C@H](C)N(C)CCC1(C#N)CCCCC1 411140652 IBKVSEBTPRUIOI-AWEZNQCLSA-N 236.403 3.827 30 20 BHED C=CCCCN[C@@H](CC(F)F)c1ccccc1 420996810 RDJPJZGJWREDCS-ZDUSSCGKSA-N 239.309 3.939 30 20 BHED CCc1ccc([C@@H](C)NCC2(CC#N)CC2)s1 430755407 QKMUAGNJHYOXIB-LLVKDONJSA-N 248.395 3.655 30 20 BHED CC[C@@H]1CCC[C@@H]1CNC1CCC(C)(C#N)CC1 449435206 VHICAHJKLIMGRP-WXLSXGNJSA-N 248.414 3.875 30 20 BHED C=C(C)CCN[C@@H]1CCc2c(C)cccc21 453331176 ZPDQOCOLUXSDBG-OAHLLOKOSA-N 215.340 3.538 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCCO[C@@H]1CC(C)C 480748805 IUKYSXONYHJXDO-RRFJBIMHSA-N 239.403 3.524 30 20 BHED CCC(CC)CN(C)Cc1cc(C#N)ccc1F 505270591 CPFLNRIRRHEKBI-UHFFFAOYSA-N 248.345 3.565 30 20 BHED CCC(CC)N(CC)Cc1ccc(F)c(C#N)c1 516679248 MIBIDAVPKOMXGN-UHFFFAOYSA-N 248.345 3.708 30 20 BHED C=CCCCOc1cc(Cl)ccc1F 535259675 DTCFYYZLNJNFRR-UHFFFAOYSA-N 214.667 3.824 30 20 BHED CCC[C@@H](C)[C@@H]1CCCN1CCC(C)(C)C#N 537386510 VXPIOGQWSAARFL-KGLIPLIRSA-N 236.403 3.827 30 20 BHED CC(C)CC1(C)CCN([C@@H]2CC[C@@H](C#N)C2)CC1 549717886 JPEGWPOYVKPQSX-HUUCEWRRSA-N 248.414 3.827 30 20 BHED C[C@H]1c2ccccc2CCN1C[C@H](C)CCC#N 602461796 LYUVTNBIBMKKNK-KGLIPLIRSA-N 242.366 3.546 30 20 BHED CCC[C@@H]1CCCC[C@H]1Nc1ncccc1C#N 609120388 HEVCQEZGVKNGBJ-TZMCWYRMSA-N 243.354 3.724 30 20 BHED C=CCCC(C)(C)NCc1cc(C)ccc1O 717909758 VYTNQBVWUUQJQG-UHFFFAOYSA-N 233.355 3.535 30 20 BHED C=CCC(CC=C)C(=O)OC1CCCCC1 758503760 LFAQPYRRRZTOEN-UHFFFAOYSA-N 222.328 3.631 30 20 BHED Fc1cccc(C=NOC2CCCCC2)c1 777460432 XFFFPQCMSAXRNE-UHFFFAOYSA-N 221.275 3.509 30 20 BHED CCc1cccc(C)c1NN=CC(C)C 799491430 FVYHLPKYNZHNOC-UHFFFAOYSA-N 204.317 3.611 30 20 BHED COc1ccc(NN=C[C@@H]2CC[C@@H](C)C2)cc1 800814743 WWKUUFXEMDLLPC-VXGBXAGGSA-N 232.327 3.529 30 20 BHED C=CCCCCCCNC(=O)/C(C)=C(/C)CC 805220609 XRTOPXNXTILIQS-YPKPFQOOSA-N 237.387 3.986 30 20 BHED Cc1cc(F)ccc1OC(=O)CCCCCC#N 805903158 QYWMDGYXOAUBDD-UHFFFAOYSA-N 249.285 3.514 30 20 BHED C=CCCCCCCN[C@@H](C)C1CCOCC1 806168401 KVWAHHPJQUKKHL-AWEZNQCLSA-N 239.403 3.528 30 20 BHED C/C(=C\Cl)CSc1snc(C)c1C#N 808058493 PAUSMUUBFKEYBL-ZZXKWVIFSA-N 244.772 3.558 30 20 BHED C#Cc1ccc(CN(C)[C@H](C)C(C)(C)C)cc1 809547443 PZFFNFKMBQILJK-CYBMUJFWSA-N 229.367 3.534 30 20 BHED C[C@H]1CCC(=NNc2cc(F)cc(F)c2)C1 814813174 JDCJHRSQYSDMOJ-QMMMGPOBSA-N 224.254 3.553 30 20 BHED CCCC1(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)CCC1 839058778 XUXHYOMTOOKWAN-CHWSQXEVSA-N 249.354 3.582 30 20 BHED C=CCN(C(=O)C[C@@H](C)CC(C)(C)C)C(C)C 917659053 MOJNBYITUOZSRZ-CYBMUJFWSA-N 239.403 3.872 30 20 BHED CC(C)(C)ON=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 1336205146 LBORVFIQIBBPLG-WYUUTHIRSA-N 221.344 3.614 30 20 BHED CC(C)CN(CC(C)(C)C)CC1(CC#N)CC1 1644944693 WDAYNAYTLOVXPX-UHFFFAOYSA-N 236.403 3.684 30 20 BHED C=CCCC(=O)N1CCCc2c(C)cc(C)cc21 66475961 YOMJFHBSOAWJOO-UHFFFAOYSA-N 243.350 3.549 30 20 BHED C=CCC[C@H](C)Nc1ccc(F)c(F)c1 96034344 IQNAGBKIIFRKOB-VIFPVBQESA-N 211.255 3.731 30 20 BHED C=CCOc1ccc(CN[C@H](C)C2CCC2)cc1 160170228 AKROXFATDZAXJE-CYBMUJFWSA-N 245.366 3.530 30 20 BHED CCCCCCCCCN[C@@H]1CCSC1 163622249 YKQXNYYOOOVDLM-CYBMUJFWSA-N 229.433 3.832 30 20 BHED C=CCCCC(=O)Nc1ccc(OC(C)C)cc1 175342845 DJKLABSMASDEEF-UHFFFAOYSA-N 247.338 3.769 30 20 BHED Cc1cc(C)cc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c1 274613511 KSNUMAYDEFRHEJ-SQWLQELKSA-N 242.366 3.646 30 20 BHED C=CCN(C)Cc1csc(Cl)c1Cl 308265000 OSQMPCUJDXXNDW-UHFFFAOYSA-N 236.167 3.673 30 20 BHED C=CCCCCN[C@@H](C)c1ccc(C)o1 308850205 QYFOJRWOWYKKFD-LBPRGKRZSA-N 207.317 3.595 30 20 BHED C=CC[C@@H](C)[C@H](C)NCC(C)(C)CCC#N 309734949 GEEVTUBXOVFTNK-OLZOCXBDSA-N 222.376 3.507 30 20 BHED Cc1ccc(OCCC(C)(C)C#N)cc1Cl 413012664 FPXCOWLKUGHCHG-UHFFFAOYSA-N 237.730 3.967 30 20 BHED C=C(C)C(C)(C)C(=O)NCC(C)(C)C1=CCCC1 424861248 DGBAYJKJEVWMJR-UHFFFAOYSA-N 249.398 3.841 30 20 BHED C=CCC1(C(=O)N(C)[C@H]2CC[C@H](C)C2)CCCC1 451401541 STVYSZSVRGVFHL-KBPBESRZSA-N 249.398 3.770 30 20 BHED C=CC[C@H](C)NCc1ccc2c(c1)CCCC2 491294278 ITPCGZQMOWRIDT-ZDUSSCGKSA-N 229.367 3.620 30 20 BHED C=C(C)CN(CC)Cc1ccc(F)c(C)c1 505868615 PTJJICOHCMYTLN-UHFFFAOYSA-N 221.319 3.532 30 20 BHED N#Cc1ccn(CCCc2ccc(Cl)cc2)c1 535882641 JKXXTBBDKPQGCV-UHFFFAOYSA-N 244.725 3.646 30 20 BHED C=C(C)CN(C)[C@@H](CC)c1ccccc1OC 553986753 FASONYVDRBFKGY-AWEZNQCLSA-N 233.355 3.654 30 20 BHED CC[C@H](COc1ccc(C#N)cc1)CC(F)F 594879418 WBMVSODVCHZMSJ-JTQLQIEISA-N 239.265 3.618 30 20 BHED CC[C@@H](N[C@]1(C)CC1(C)C)c1ccc(C#N)cc1 595100794 JAKAPLIIYMYOEU-GDBMZVCRSA-N 242.366 3.788 30 20 BHED C=CC1CCN([C@@H](C)c2ccc(F)cc2)CC1 600683177 OLJPDHTZFJEJHZ-LBPRGKRZSA-N 233.330 3.785 30 20 BHED CCC(CC)(CC)CNC[C@@H](C)CCC#N 602571580 VWFJFPWYXDGZDI-ZDUSSCGKSA-N 224.392 3.732 30 20 BHED C[C@H](CCC#N)CNc1cccc2ccn(C)c12 602633760 YTJIMHMUTIWECC-GFCCVEGCSA-N 241.338 3.530 30 20 BHED C=CCCC(C)(C)NC(=O)CC1CCCCC1 620863932 IZEMBXVBYFKKHL-UHFFFAOYSA-N 237.387 3.818 30 20 BHED C=C(C)CCN1CC[C@@H](c2ccccc2F)C1 681404031 XSQJLMQIPPSGOP-CYBMUJFWSA-N 233.330 3.581 30 20 BHED CCC(CC)NN=C(C)c1ccc(F)cc1C 734366410 QSNNDRJJXJSKGU-UHFFFAOYSA-N 236.334 3.636 30 20 BHED CCCCCCCCC(=O)N[C@H]1CC=CCC1 736058683 NUYUWYYPSTYCMN-AWEZNQCLSA-N 237.387 3.962 30 20 BHED C=C(C)COC(=O)C[C@@H](CC)c1ccc(C)cc1 738689128 MOTRUQRLWKFHAM-CQSZACIVSA-N 246.350 3.998 30 20 BHED C#Cc1cccc(N[C@H]2CS[C@@H](C(C)C)C2)c1 754151252 XBRSWAHGYDHPNH-HUUCEWRRSA-N 245.391 3.610 30 20 BHED CCCCCCC=NNc1cc(C)ccn1 755771476 UPOQPCPDLADBQS-UHFFFAOYSA-N 219.332 3.758 30 20 BHED CCCCCCCN1CC[C@@H](C(F)(F)F)C1 761039819 FQNBAOYTGFAOTL-LLVKDONJSA-N 237.309 3.841 30 20 BHED N#Cc1ccc(SC/C(Cl)=C/Cl)cc1 763255508 KWJCYLAXPHNGCK-UITAMQMPSA-N 244.146 3.969 30 20 BHED C#CCN(C(=O)[C@@H](CC)CCCCCC)C1CC1 764479985 AIYLJJWWKREDPW-AWEZNQCLSA-N 249.398 3.607 30 20 BHED CCCCCCC[S@](=O)C[C@@H](C)CC 764562131 FNNYGBZVROXWAN-JSGCOSHPSA-N 218.406 3.752 30 20 BHED CC(C)[C@@H]1CCCCC1=NNc1ccc(F)cn1 764686888 NDEGAYBRKKGEGD-LBPRGKRZSA-N 249.333 3.835 30 20 BHED C(CCc1ccccc1)=NOC1CCCC1 774598056 ZUAHXDGSXZALDC-UHFFFAOYSA-N 217.312 3.564 30 20 BHED CC(=NOC1CCCC1)c1sccc1C 774609274 WCHVEMFNWWIMHS-UHFFFAOYSA-N 223.341 3.740 30 20 BHED CCCNN=C1CC=C(c2ccc(F)cc2)CC1 776767095 UOXGUGHQYOBDCR-UHFFFAOYSA-N 246.329 3.749 30 20 BHED COCCCON=C1CCC[C@@H](CC(C)C)C1 795041320 CNHPZWZOUOTILO-ZDUSSCGKSA-N 241.375 3.632 30 20 BHED CC[C@@H]1CCC1=NNc1cc(C)ccc1C 807955288 RQILRYYGSDRPFS-GFCCVEGCSA-N 216.328 3.891 30 20 BHED CC(=NOC1CCC1)c1cccc(Cl)c1 812234880 ABLMXVVUWROTDP-UHFFFAOYSA-N 223.703 3.633 30 20 BHED CC(CCc1cccc(C)c1)=NOCC1CC1 814245439 ZYWJTZAEYAMGEH-UHFFFAOYSA-N 231.339 3.730 30 20 BHED C1CCC2(C1)CCCC2=NOCC1CC1 814940981 KGWHBUNYSAVVKS-UHFFFAOYSA-N 207.317 3.513 30 20 BHED C=C[C@@H](C)ON=C1CCC[C@@H](c2cccnc2)C1 844626495 WLKVOXCVYSSOTN-CHWSQXEVSA-N 244.338 3.686 30 20 BHED C=C(Cl)CN[C@H](c1ccccc1)C1CCC1 1559645346 CVODEYJQEAFTRL-CQSZACIVSA-N 235.758 3.870 30 20 BHED Cc1ccc(CSc2cccnc2C#N)cc1 1656552932 APSPRIQXLBKDCJ-UHFFFAOYSA-N 240.331 3.554 30 20 BHED Cc1cc(C#N)cc(NC2CC3(CCC3)C2)c1 1659444082 JZJZYBUCIODMFJ-UHFFFAOYSA-N 226.323 3.611 30 20 BHED N#Cc1c(-c2ccccc2)[nH]c2ccc(F)cc12 19724769 KQZAMAXFAFJUNP-UHFFFAOYSA-N 236.249 3.846 30 20 BHED Cc1cc(C)cc(NCc2ccccc2C#N)c1 20053388 PWQXXCWKXKIBFR-UHFFFAOYSA-N 236.318 3.787 30 20 BHED CC[C@H](C#N)Sc1ccccc1Cl 43557506 DSHTYAKUAFEIBP-MRVPVSSYSA-N 211.717 3.734 30 20 BHED C[C@H]1C[C@@H](Nc2cccc(C#N)c2)CC[C@H]1C 84981839 ZBNRQQOUZNVXFA-XUJVJEKNSA-N 228.339 3.795 30 20 BHED Cc1ccccc1CCNc1ccc(C#N)cc1 105989829 FTAQONWDTPDSSB-UHFFFAOYSA-N 236.318 3.521 30 20 BHED C=C[C@@H](C)N[C@@H](CCC)c1ccc(OC)cc1 119317968 SHMBQMROAPTXLQ-DOMZBBRYSA-N 233.355 3.701 30 20 BHED C=C(C)CNC(=O)[C@H](c1ccccc1)[C@@H](C)CC 123066342 WKKIOPKYBUUSAR-ZFWWWQNUSA-N 245.366 3.509 30 20 BHED CCCCCCCCN[C@H]1CCO[C@H](C)C1 126795582 VOJLCXGMIIPACQ-KGLIPLIRSA-N 227.392 3.504 30 20 BHED Cc1ccc(C(=O)/C=C/c2ccc(F)cc2C)o1 131130753 NDYGSDNFNWCQMF-FNORWQNLSA-N 244.265 3.932 30 20 BHED C=C[C@@H](C)NC1CC(c2ccc(Cl)cc2)C1 154252275 OHZVRGWECNUDMK-PWQPVHBWSA-N 235.758 3.750 30 20 BHED C=C(Cl)CN[C@H]1CCc2cc(Cl)ccc21 161733628 WXXJPBSWHGTMQH-LBPRGKRZSA-N 242.149 3.669 30 20 BHED CC/C=C(\C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 175763473 NYLPXCPDJYMEKM-JVOXIWMLSA-N 243.306 3.519 30 20 BHED C=C(C)CN(C)C(=O)[C@H](CC)CC1CCCC1 180435724 MJWPBGDGDNEWAT-CQSZACIVSA-N 237.387 3.627 30 20 BHED C[C@H](c1cccc(C#N)c1)N1Cc2ccccc2C1 187678732 GLKKWUDGFCRKLG-CYBMUJFWSA-N 248.329 3.635 30 20 BHED CC1(C)CC[C@@H](CSc2cccc(C#N)c2)O1 187692479 PCEYEAJUIURGSQ-LBPRGKRZSA-N 247.363 3.608 30 20 BHED C=CCC[C@H](CC)Nc1ccc(COC)cc1 193416829 XPEOYWKPMLWHSZ-AWEZNQCLSA-N 233.355 3.990 30 20 BHED CCC[C@H](CC)Nc1ccc(OCC#N)cc1 225820614 OJIHHUBWEHOUIY-LBPRGKRZSA-N 232.327 3.580 30 20 BHED Cc1ccc(/C=C\c2ccc(C#N)cn2)cc1C 255691063 QIQUOLUSPNOAHB-ALCCZGGFSA-N 234.302 3.741 30 20 BHED CCCCCSc1snc(Cl)c1C#N 302006817 WCCAWNXNLCEPHU-UHFFFAOYSA-N 246.788 3.950 30 20 BHED C=CCCOc1cccc(Cl)c1Cl 303850398 UWNBXTLWOVICLE-UHFFFAOYSA-N 217.095 3.948 30 20 BHED C=CCCNc1ccc(C2CC2)c(C)c1 309234202 XHPGCJRATXRWJL-UHFFFAOYSA-N 201.313 3.860 30 20 BHED C=CCC(C)(C)CN[C@H]1CCC[C@@H](C)C1 310216801 DMNMGEXTGMIUJZ-OLZOCXBDSA-N 209.377 3.757 30 20 BHED C=C(CC)CS[C@H](C)c1ncc(C)o1 358637004 PEXJDSABPBQKMR-SNVBAGLBSA-N 211.330 3.743 30 20 BHED C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C 412826652 QZEWHVBEPNACAP-NWDGAFQWSA-N 237.387 3.530 30 20 BHED C=C(CC)CSC1CC(OC(C)C)C1 419441229 MGVCGEHNAVDGHD-UHFFFAOYSA-N 214.374 3.642 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cc(C)cc(F)c1 424728652 AQJCLIIUVIOBTL-UHFFFAOYSA-N 235.302 3.675 30 20 BHED N#Cc1ccccc1SCCOC1CCCC1 431937097 KQSRGGIHSBNLIJ-UHFFFAOYSA-N 247.363 3.610 30 20 BHED C[C@@H](CSCCCCC#N)C(F)(F)F 439026061 UFTKATXCMTXRIN-QMMMGPOBSA-N 225.279 3.612 30 20 BHED CC(C)Oc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 449467023 KAVIAUZJWGFSCQ-GXTWGEPZSA-N 244.338 3.578 30 20 BHED C=C(C)CCc1noc(-c2ccc(C)cc2C)n1 508671292 LERTVERLNMUDJE-UHFFFAOYSA-N 242.322 3.862 30 20 BHED CC1=CCC[C@@H](C)[C@H]1CN1CCC(CC#N)CC1 527207042 YUNKGWMYVUZWAK-ZBFHGGJFSA-N 246.398 3.604 30 20 BHED CCC(CC)Sc1ccc(C#N)cc1F 542709024 FVLUYKUJOJBMDL-UHFFFAOYSA-N 223.316 3.978 30 20 BHED C=C(C)CN(C)[C@H](CC)c1ccccc1OC 553986767 FASONYVDRBFKGY-CQSZACIVSA-N 233.355 3.654 30 20 BHED CCc1cc(NC[C@@H](C)CCC#N)ccc1F 602661167 KBHIHTNSAQCFFK-NSHDSACASA-N 234.318 3.740 30 20 BHED CC(C)(C#N)CCN1CC(C)(C)[C@H]1c1ccco1 602926167 NFEKWWCTSZLCRN-CYBMUJFWSA-N 246.354 3.602 30 20 BHED C=CCC(CC=C)C(=O)N(C)c1ccccc1C 623012209 MUZAADWPVHGGTG-UHFFFAOYSA-N 243.350 3.726 30 20 BHED C=CC[C@H]1CCCC[C@H]1NCCCOC(C)C 657819078 DVJDEUUVWYKVMJ-LSDHHAIUSA-N 239.403 3.526 30 20 BHED CCCCCCCCc1nc(C2CC2)no1 731794648 LZQNWKVHSAEKOA-UHFFFAOYSA-N 222.332 3.850 30 20 BHED Cc1cc(F)ccc1NN=Cc1ccccc1 750938847 PCNXCNUBSJWWDS-UHFFFAOYSA-N 228.270 3.580 30 20 BHED CCC(C=NNCc1ccc(Cl)cc1)CC 764719491 XQWTVWHRUIHOSN-UHFFFAOYSA-N 238.762 3.852 30 20 BHED C=CC[C@H]1N(C(=O)C=C2CCC2)CCCC1(C)C 767230860 ZREAKDKNEWRSOY-CQSZACIVSA-N 247.382 3.690 30 20 BHED C#CC[C@@H](N[C@H](C)CCCC)c1ccccc1 773115189 MXUFBZGVSHJKLP-GDBMZVCRSA-N 229.367 3.919 30 20 BHED CC(CC1CCCC1)=NNc1ccnc(F)c1 781133371 DUFALZXBASYXCX-UHFFFAOYSA-N 235.306 3.589 30 20 BHED C=CCCCC(=O)OCCCc1ccsc1 782675359 VMYQCTJVJULHEC-UHFFFAOYSA-N 238.352 3.580 30 20 BHED CC[C@@H]1CCC1=NNc1ccccc1Cl 807944315 WQLVPEBJETXPJO-SECBINFHSA-N 222.719 3.928 30 20 BHED CC(C)[C@@H]1CCCCC1=NOC/C=C\Cl 811670339 PUOVVYZQMJMTRU-VDVZEYCRSA-N 229.751 3.958 30 20 BHED C[C@@H](CC=NOCC1CC1)c1ccccc1 814244489 WGSXKTQTKCYLIZ-LBPRGKRZSA-N 217.312 3.593 30 20 BHED C=CCC(F)(F)C(=O)N(CCCCC)C(C)C 815077187 BJMIHGXJNYBLFN-UHFFFAOYSA-N 247.329 3.625 30 20 BHED CC(C)CC(CC(C)C)C(=O)O[C@H](C)CC#N 835158806 LHWVDPCORZKJML-GFCCVEGCSA-N 239.359 3.540 30 20 BHED CCCON=C1CCC[C@@H](C(F)(F)F)C1 842553609 JIUHLQRZJOTAJU-MRVPVSSYSA-N 223.238 3.522 30 20 BHED C=CCC[C@H](C)OC(=O)C[C@H](C)c1ccco1 859813407 JVDICGIWEJZDHS-RYUDHWBXSA-N 236.311 3.671 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H](c1ccccn1)C1CC1 903340042 OVMUEGUJQVJUSQ-WOSRLPQWSA-N 244.382 3.723 30 20 BHED CC(=NNc1ccc(C)cc1)c1cccc(F)c1 916250185 QCDMVFFADKGHTR-UHFFFAOYSA-N 242.297 3.970 30 20 BHED CCOc1ccc(/C=N/C2CCCCC2)c(O)c1 920943577 QHALQWOEJHZMFR-LFIBNONCSA-N 247.338 3.543 30 20 BHED C=CCN(C(=O)[C@H](C)c1cccc(C)c1)C(C)C 1319017103 NAJLAGXVROXJFM-CQSZACIVSA-N 245.366 3.522 30 20 BHED CCC(C[C@@H](C)CC)=NNc1ccc(C#N)cn1 1336994497 BASSLERMETZCHD-NSHDSACASA-N 244.342 3.567 30 20 BHED Cc1cc(C)nc(CSCC2(CC#N)CC2)c1 1352749040 JNGFAMIECGTASC-UHFFFAOYSA-N 246.379 3.626 30 20 BHED C[C@H]1C[C@@H](C)CN(c2ccc(C#N)c(Cl)c2)C1 61850747 DCWZSVSZHLDRGQ-PHIMTYICSA-N 248.757 3.694 30 20 BHED N#CCSc1ccc(Cl)c(Cl)c1 83867088 CDKRZOFYUPIFBM-UHFFFAOYSA-N 218.108 3.609 30 20 BHED C[C@H]1CCN(CCCCC#N)c2ccccc21 102397335 XWRHNPQVHZXEFW-ZDUSSCGKSA-N 228.339 3.694 30 20 BHED C=CCC[C@@H](C)NCc1ccccc1COCC 130537481 YHOBNRWLMNLITK-CQSZACIVSA-N 247.382 3.667 30 20 BHED C=CCCN[C@H]1CCCC[C@H]1c1ccccc1 161740268 KOJVWEXJGUHWLE-HOTGVXAUSA-N 229.367 3.879 30 20 BHED C=CCCN[C@@H](C)c1ccccc1OC(F)F 163900331 ONWLMAIGUQXYTQ-JTQLQIEISA-N 241.281 3.515 30 20 BHED C=CCCCC(=O)Nc1ccccc1CC 175200805 YFGZOPLJVVXDID-UHFFFAOYSA-N 217.312 3.544 30 20 BHED C#CCCCN[C@@H](C)c1ccc(F)cc1Cl 178055033 DVUIMFZMXINPCY-JTQLQIEISA-N 239.721 3.543 30 20 BHED C=CCCC[C@H](C)NC(=O)c1cc(C)ccc1C 182588080 RUFMPAQQPZZIER-AWEZNQCLSA-N 245.366 3.778 30 20 BHED C=C(C)[C@H](NCCCF)c1ccc(F)c(F)c1 187788854 XWBHNSRWMQCWIJ-ZDUSSCGKSA-N 243.272 3.531 30 20 BHED CC#CCCCC(=O)N[C@H](C)CC1CCCCC1 193467798 SZXSQDCSTFFTHU-CQSZACIVSA-N 249.398 3.655 30 20 BHED O=C(/C=C\c1ccccc1)c1ccccc1F 200990650 JYCUNTVECRAAOH-KHPPLWFESA-N 226.250 3.722 30 20 BHED CCC(CC)CNc1nc(Cl)c(C#N)s1 232867298 SFEOEOAIRWQCAP-UHFFFAOYSA-N 243.763 3.516 30 20 BHED CCN(Cc1ccc2ccccc2c1)[C@H](C)C#N 273047124 QEJKSNXBGYQEIQ-CYBMUJFWSA-N 238.334 3.574 30 20 BHED C=CCC[C@@H](C)Nc1ccc(F)c([C@H](C)O)c1 289774577 RJUCWHDEMISLPG-MNOVXSKESA-N 237.318 3.646 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccnc(Cl)c1 309700439 MMCYHMBUXXGGHU-CMPLNLGQSA-N 238.762 3.740 30 20 BHED Cc1nc(N[C@H](C)C2CCC2)c(Cl)cc1C#N 310457470 ZQUVIDWYTFBVJJ-MRVPVSSYSA-N 249.745 3.516 30 20 BHED CCC[C@@H](NCc1ccc(C#N)cc1)C1CCC1 322263202 HUHJDIMMOSHMJR-MRXNPFEDSA-N 242.366 3.617 30 20 BHED C=CC[C@@H](C)N[C@H]1CCCc2ccc(F)cc21 344281014 ABQSQPAVKMDFRV-ABAIWWIYSA-N 233.330 3.757 30 20 BHED C=CCCCCN[C@H]1CCCOc2ccccc21 349344687 TUJOVVJSKAPMLR-HNNXBMFYSA-N 245.366 3.846 30 20 BHED C=C(C)CCN(C1CC1)[C@@H](C)c1ccco1 351717034 CUTCRGZKDRNRJL-LBPRGKRZSA-N 219.328 3.771 30 20 BHED C[C@H](NCC1=CCCCC1)c1ccc(C#N)cc1 379579912 IGOWAHJRGUEIPM-ZDUSSCGKSA-N 240.350 3.709 30 20 BHED CC#CCNc1ccc(SC(F)(F)F)cc1 381154971 PXFMDCLZCAIQAM-UHFFFAOYSA-N 245.269 3.734 30 20 BHED C=CC[C@@H](CC)N[C@@H]1CCc2ccccc21 393752535 SZPAICHDJWCBHG-UKRRQHHQSA-N 215.340 3.618 30 20 BHED CC(C)C[C@H]1CCCN1CCCC(C)(C)C#N 396905236 FBBXKSHOBRHOBU-CQSZACIVSA-N 236.403 3.827 30 20 BHED CC(C)(CC#N)CN[C@@H]1CCCc2sccc21 414173458 XBNCBBFKYZJLOM-GFCCVEGCSA-N 248.395 3.655 30 20 BHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 424116378 BJYBFQXBLPPUQZ-UHIISALHSA-N 248.757 3.683 30 20 BHED CC(C)(C)[C@@H]1CCCC[C@@H]1NCC1(CC#N)CC1 430748383 DHGGKFCOFGOYMT-KGLIPLIRSA-N 248.414 3.875 30 20 BHED C[C@@H]1[C@@H](NC2CCC(C)(C#N)CC2)CCC[C@H]1C 449061168 HRNARLMQXUIXBA-QTJAEWGCSA-N 248.414 3.873 30 20 BHED CC#CCCN(CC)Cc1ccc(Cl)cc1 462315280 MJHQTQVQLCYJEC-UHFFFAOYSA-N 235.758 3.575 30 20 BHED CC#CCCN1CCC[C@@H]1c1cc(C)ccc1C 462317281 QURIVWRQOSKCJC-QGZVFWFLSA-N 241.378 3.854 30 20 BHED C=C[C@H](C)NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 465105132 WMUPOHWSXNNPAV-FRRDWIJNSA-N 237.387 3.530 30 20 BHED C=C[C@H]1CCCCN1Cc1ccccc1C 489446541 GWRATWVQCHJTNK-HNNXBMFYSA-N 215.340 3.536 30 20 BHED C=CCC(C)(C)CNC(=O)CCC(C)(C)C 489980863 STEIMTUVFHAENE-UHFFFAOYSA-N 225.376 3.531 30 20 BHED C=CCCC1(C(=O)NC2CC(C(C)(C)C)C2)CC1 504844935 BTMJBOSKPCRWQS-UHFFFAOYSA-N 249.398 3.674 30 20 BHED C=C(C)CCN1CCC[C@H]1c1cccc(F)c1 509262386 HGJJCXIXSNFXPB-HNNXBMFYSA-N 233.330 3.929 30 20 BHED C=C(CC)CN1CCC[C@@H]1c1ccccc1 536882053 QOTPGIQZLMPIHZ-OAHLLOKOSA-N 215.340 3.790 30 20 BHED C=CCCC[C@@H](C)NC(=O)Nc1ccc(C)cc1 538285012 ONLDMIWMETXXEP-CYBMUJFWSA-N 246.354 3.861 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 556345677 VRCUGJFMTJCQTQ-MGPQQGTHSA-N 249.398 3.674 30 20 BHED C=CCC(C)(C)c1noc(C2=C(C)CCC2)n1 560022135 RZWFFIQKRCIOES-UHFFFAOYSA-N 232.327 3.881 30 20 BHED CC[C@H](NCC1CC(C)C1)c1ccc(C#N)cc1 598679911 QJESWRVXKVXPSM-PXCJXSSVSA-N 242.366 3.645 30 20 BHED CC(C)=CCC[C@@H](C)NC[C@@H](C)CCC#N 602678574 GHJHRIDXQJHYGE-UONOGXRCSA-N 222.376 3.651 30 20 BHED C=CCC1(NC(=O)C[C@@H]2C=CCCC2)CCCC1 619111309 UHEVLTFBAPZJLX-CQSZACIVSA-N 247.382 3.738 30 20 BHED Fc1ccc(NN=C2CCC[C@@H](C3CC3)C2)nc1 737431881 QEAXKOISKXSVPN-LLVKDONJSA-N 247.317 3.589 30 20 BHED CC(=NNc1ccc(F)cc1C)c1ccco1 750938955 RIBHZJZNFUFHEQ-UHFFFAOYSA-N 232.258 3.563 30 20 BHED C#CCCCN[C@H](CCC=C)c1ccccc1 772864488 IUSREARBVJQTHA-MRXNPFEDSA-N 227.351 3.697 30 20 BHED C#CC[C@H](NC1CCCCC1)c1ccccc1 773104761 FTXPIJHTTQLHMT-INIZCTEOSA-N 227.351 3.673 30 20 BHED C#CCCCN1CCC[C@@H]1/C=C/c1ccccc1 780400207 SCYDZKHDFFORGV-GZKZCVOOSA-N 239.362 3.578 30 20 BHED CC(CCc1ccco1)=NNCC1(C)CCCC1 793085132 ZGXHWCBHNWAKCK-UHFFFAOYSA-N 248.370 3.758 30 20 BHED C[C@@H](NN=Cc1ccsc1Cl)C(C)(C)C 793111392 GNAPGCQCQKHSRQ-MRVPVSSYSA-N 244.791 3.760 30 20 BHED C=CCC(C)(C)C(=O)O[C@H](C)c1ccccc1 796462155 XSTMIMMNLBCYPE-GFCCVEGCSA-N 232.323 3.893 30 20 BHED C#Cc1ccc(CNc2cccc(C)c2C)cc1 809595718 QSEFMDGSNZSYLT-UHFFFAOYSA-N 235.330 3.897 30 20 BHED CCc1ccc(N(CC2(C#N)CC2)C(C)C)cc1 810032850 MOFXGCJLLQLHRX-UHFFFAOYSA-N 242.366 3.768 30 20 BHED CCCC[C@H](C)C(C)=NOCCOC(C)C 812239367 UCLSPBPJUIDYQZ-LBPRGKRZSA-N 229.364 3.630 30 20 BHED Fc1ccccc1NN=C1CC[C@@H]1C1CCC1 814791813 IRFHAPYCWSKEBA-LLVKDONJSA-N 232.302 3.804 30 20 BHED C=C(C)CON=C[C@H]1C(C)=CCC[C@H]1C 844617809 CVMMKIPNEVQRRJ-OLZOCXBDSA-N 207.317 3.557 30 20 BHED CC1CCC(=NOCc2ccccc2)CC1 854248059 MWJPXRZJKOKZGM-UHFFFAOYSA-N 217.312 3.769 30 20 BHED C=C(Cl)CN[C@H]1CCCC[C@H]1CCC 1193649734 WFJKXAJZZQSCLG-NEPJUHHUSA-N 215.768 3.687 30 20 BHED CC[C@@H]1CCCC[C@H]1CNc1ncccc1C#N 1307128852 GOWQYFAXMBMMTK-OCCSQVGLSA-N 243.354 3.582 30 20 BHED CC#CCCSCc1ccc2ncccc2c1 1320328507 BEJFMMHHHCGBGZ-UHFFFAOYSA-N 241.359 3.881 30 20 BHED C=C(C)CCC(=O)Oc1ccc(C(=O)CC)cc1 1337718079 MWICBCPWJRQWAK-UHFFFAOYSA-N 246.306 3.541 30 20 BHED N#Cc1ccc(CNCCC2=CCCCC2)cc1 20093691 VKZAMGHBPUSGBH-UHFFFAOYSA-N 240.350 3.538 30 20 BHED CCCCCNc1c(C#N)cnc2ccccc12 37507633 FAKHBTGONYJLFM-UHFFFAOYSA-N 239.322 3.709 30 20 BHED CCCCCC[C@@H](C)N[C@@H](CC)CC#N 49202519 JJYYNXTWVDCHOK-OLZOCXBDSA-N 210.365 3.627 30 20 BHED CC[C@H](CC#N)N[C@@H](C)c1cc2ccccc2o1 54182595 WTTQCYZLKFGNLS-WCQYABFASA-N 242.322 3.776 30 20 BHED CCN(CC=C(C)C)[C@H](C)c1ccc(C#N)cc1 60477457 SDTKBGVRAMNSQK-CQSZACIVSA-N 242.366 3.907 30 20 BHED C=C(Cl)CNCc1ccccc1C(F)(F)F 61626690 XVLPRIXCYLKEJX-UHFFFAOYSA-N 249.663 3.548 30 20 BHED CC[C@H]1CCCN(c2ccc(F)cc2C#N)CC1 79343548 XSPKJYROYRBWAA-LBPRGKRZSA-N 246.329 3.714 30 20 BHED C=CC[C@@H](C)NC(=O)Nc1c(C)cccc1CC 116996210 VLOPZRSPLGXYCE-GFCCVEGCSA-N 246.354 3.644 30 20 BHED C=CCN(Cc1ccccc1)C(=O)OC(C)(C)C 136422659 LOWHLOUTWLNDDC-UHFFFAOYSA-N 247.338 3.610 30 20 BHED C=CC[C@@H](C)N[C@H](CC)c1ccc(OC)cc1 163313313 FZQULDMMHATOBV-IUODEOHRSA-N 233.355 3.701 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C 180947362 HRHGUQOIARBTLV-CMPLNLGQSA-N 248.326 3.518 30 20 BHED CC1(CC(=O)OCC2(C#N)CCC2)CCCCC1 183851074 QITVTKCOFOLTOT-UHFFFAOYSA-N 249.354 3.584 30 20 BHED Cc1coc(S[C@H](C)c2ccc(C#N)cc2)n1 188385242 ODGKDZBFWXKSJZ-SNVBAGLBSA-N 244.319 3.708 30 20 BHED C=CCCCCCn1ccc2sccc2c1=O 194360465 ULOCRYBMBDWTJX-UHFFFAOYSA-N 247.363 3.809 30 20 BHED CCOc1cccc(/C=C\C(=O)c2ccco2)c1 255440528 QFYOSDHFLOWBEN-HJWRWDBZSA-N 242.274 3.574 30 20 BHED CC(C)N(CCCCC#N)Cc1cccc(F)c1 263815832 OOUDTPFYGOTCQW-UHFFFAOYSA-N 248.345 3.730 30 20 BHED C=CCCCCN[C@@H](C)Cc1ccccc1F 310162330 IXJGNWFZTHIVTA-ZDUSSCGKSA-N 235.346 3.703 30 20 BHED C[C@@H](CCC#N)N1CCC[C@H](C(C)(C)C)CC1 351267406 GSZXOSLBWNYDGL-KBPBESRZSA-N 236.403 3.827 30 20 BHED C=C(C)CCN[C@@H](CC)c1ccc(OC)cc1 351732909 VTNWBNLQOSZOQG-HNNXBMFYSA-N 233.355 3.702 30 20 BHED C[C@H]1CCCC[C@@H]1CCNc1ncccc1C#N 358223652 OJJPRZFTCLXUIN-QWHCGFSZSA-N 243.354 3.582 30 20 BHED C=C(C)CCN[C@H]1CCSc2ccccc21 386692040 KQQHNDGITBJXHQ-ZDUSSCGKSA-N 233.380 3.779 30 20 BHED CC[C@@H](C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 404091102 UGSUDRHVZDAMOI-VXGBXAGGSA-N 248.345 3.612 30 20 BHED CO[C@H](CSc1ccc(C#N)cc1)CC(C)C 416924443 WVLVBLMKTRXPBE-ZDUSSCGKSA-N 249.379 3.711 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cc(C)ccc1OC 425383754 LNDPYRQNDBEAHD-UHFFFAOYSA-N 247.338 3.544 30 20 BHED C=CCCCCNC(=O)C1C[C@H](C)C[C@@H](C)C1 471716625 NPXSUHJZHTYTPI-CHWSQXEVSA-N 237.387 3.531 30 20 BHED C=CCCC1(C(=O)NC[C@@H]2CCC[C@H](C)C2)CC1 475101296 CGMJNCPUFKAYQK-UONOGXRCSA-N 249.398 3.675 30 20 BHED C=C(CC)CN1CCC[C@H]1c1cccc(F)c1 539103285 BXUJTFOIDUVDHJ-HNNXBMFYSA-N 233.330 3.929 30 20 BHED CC[C@@H](C)[C@@H](C)NC1(c2cccc(C#N)c2)CC1 560265560 HKSQXWCLLRCYCP-CHWSQXEVSA-N 242.366 3.572 30 20 BHED CCCC[C@@H](C)N(C)Cc1cc(C#N)cs1 577152516 NNIXEMUZECYJOM-LLVKDONJSA-N 236.384 3.630 30 20 BHED C=C1CCN([C@H](C)c2ccc(F)c(F)c2)CC1 594733984 OXUYTGLMNYLWNI-LLVKDONJSA-N 237.293 3.678 30 20 BHED N#C[C@@H](Sc1cc(Cl)ccc1F)C1CC1 601082440 GWVFQUHFCSQNLE-LLVKDONJSA-N 241.718 3.873 30 20 BHED CCC(CC)CN(CC)C[C@H](C)CCC#N 602445236 UZVHMLRGPYRDQB-CYBMUJFWSA-N 224.392 3.684 30 20 BHED N#C[C@@H](Cc1ccccc1)SC1CCCC1 604553086 HKFZZWGLYBVUQQ-CQSZACIVSA-N 231.364 3.797 30 20 BHED C=CCCCSCCCOC(C)(C)C 610703313 ZXRDNHILXVRHBF-UHFFFAOYSA-N 216.390 3.891 30 20 BHED C=CCC(C)(C)CNC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 627519087 GIXGPZVGVIZMJE-HEHGZKQESA-N 249.398 3.531 30 20 BHED Cc1cc(C#N)cc(N[C@@H](C)CC(C)(C)C#N)c1 695885939 JNCYYGVGIDXKET-LBPRGKRZSA-N 241.338 3.607 30 20 BHED C[C@H](CC=NO[C@H]1CCCCO1)c1ccccc1 755820596 XBFICUSMIRJBBY-HIFRSBDPSA-N 247.338 3.709 30 20 BHED CC(=NN[C@@H](C)c1ccccc1)c1occc1C 767780902 YXKWWGOXGFSGAQ-LBPRGKRZSA-N 242.322 3.663 30 20 BHED C[C@@H]1CCC[C@H](C=NOC2CCCC2)C1 774604509 YKVSPCSJKJKUAJ-NEPJUHHUSA-N 209.333 3.758 30 20 BHED CCC1CCC(=NOC/C=C/Cl)CC1 811667875 FYIHEEHSPBXCAS-HECLCJANSA-N 215.724 3.712 30 20 BHED C=C(C)CCN(Cc1ccc(Cl)cc1)OC 812911449 SFTCWDQTIFAHHY-UHFFFAOYSA-N 239.746 3.670 30 20 BHED C1CCC2(C1)CCC(=NOCC1CC1)CC2 814242091 SLNMLBPXPLCBFT-UHFFFAOYSA-N 221.344 3.903 30 20 BHED CC1(C)CCC(C=NOCC2CC2)CC1 814244895 NGXKHQDAEHFLAA-UHFFFAOYSA-N 209.333 3.615 30 20 BHED CCCCCC(C)=NNc1ccccc1[N+](=O)[O-] 818197624 CKUNIIZBHFXLEG-UHFFFAOYSA-N 249.314 3.963 30 20 BHED N#C[C@@H]1CC[C@H](Sc2ncc(Cl)s2)C1 850000398 TXGRBSMLTSBSSL-RQJHMYQMSA-N 244.772 3.581 30 20 BHED C[C@@H]1C[C@H]1C=NNc1cc(F)cc(Cl)c1 853396864 RCUQVPUOULOUHA-SFYZADRCSA-N 226.682 3.533 30 20 BHED Cc1cc(C)cc(NN=Cc2cc(C)[nH]c2C)c1 917573448 WPBRDKWWXHKJGW-UHFFFAOYSA-N 241.338 3.694 30 20 BHED CC(C)(C)ON=Cc1coc2ccccc12 1116408764 MSPOKGBVYFUMMN-UHFFFAOYSA-N 217.268 3.582 30 20 BHED COc1ccc(C(C)=NOC(C)(C)C)c(C)c1 1328708207 FLHAZOZPTSFYAJ-UHFFFAOYSA-N 235.327 3.543 30 20 BHED CC1=CCC[C@@H](C)[C@@H]1C=NOC(C)(C)C 1341691750 LWZZDHVDSYDRGL-VXGBXAGGSA-N 209.333 3.780 30 20 BHED C=C(C)CCC(=O)N1CCC[C@@H]1C1CCCC1 1353541325 NWDRUHZCXGROHN-CQSZACIVSA-N 235.371 3.524 30 20 BHED C=C(CC)C(=O)Nc1cccc(CSC)c1C 1548648210 IKCBZKZMIFSJLG-UHFFFAOYSA-N 249.379 3.763 30 20 BHED C[C@@H]1CCC[C@@H]1Nc1ccc(Cl)cc1C#N 70832718 MDXKKNBVYSZQRK-SKDRFNHKSA-N 234.730 3.812 30 20 BHED N#CCCCCSc1cccc(F)c1 87111983 PMNAVVXQUCPSOI-UHFFFAOYSA-N 209.289 3.612 30 20 BHED N#Cc1ccc(Cl)cc1N1CCC2(CCC2)C1 131412019 WBHTVDVKMXLVTE-UHFFFAOYSA-N 246.741 3.592 30 20 BHED C=C(C)CN[C@H](C)c1cc2ccccc2o1 160761662 WPYLVLYDVQJAMQ-LLVKDONJSA-N 215.296 3.660 30 20 BHED CC(C)CCCNc1ccc(CC#N)cc1 165232438 WLPXGRQYMZKESU-UHFFFAOYSA-N 216.328 3.601 30 20 BHED Cc1c(F)cccc1N[C@H]1CCC[C@@H](C#N)C1 185737773 LAICNDVZKKACEY-NEPJUHHUSA-N 232.302 3.628 30 20 BHED CCC(CC)N[C@H](C)c1ccc(C#N)c(F)c1 271971386 WRYHUQNNAQRKDC-SNVBAGLBSA-N 234.318 3.537 30 20 BHED Cc1ccccc1S[C@H]1CC[C@H](C#N)C1 278581017 OTSIJZHBQISKJB-RYUDHWBXSA-N 217.337 3.779 30 20 BHED C=CCSc1ncc(C(C)(C)C)s1 308155566 QYEVFGSEUSXXSC-UHFFFAOYSA-N 213.371 3.719 30 20 BHED C=C[C@@H](C)N[C@H](CCC)c1ccsc1 308499071 FOJYLTBFOMHXHL-ZYHUDNBSSA-N 209.358 3.753 30 20 BHED C=CCCC1(C(=O)Nc2ccc(F)cc2)CC1 353349587 SDEHYCWIGAIMOH-UHFFFAOYSA-N 233.286 3.511 30 20 BHED C=CCOCCCSC[C@@H](C)C(F)(F)F 359144359 OGDQDOBRDBPZII-SECBINFHSA-N 242.306 3.511 30 20 BHED C=C(C)CCN[C@H](C(C)(C)C)C(F)(F)F 390009089 YEENQTOAUYLAEF-SECBINFHSA-N 223.282 3.519 30 20 BHED C=CC[C@H]1N(Cc2cccn2C)CCCC1(C)C 446833498 SPSSHWKBJAPHGU-OAHLLOKOSA-N 246.398 3.592 30 20 BHED C=CC(C)(C)C(=O)Nc1cccc(OCCC)c1 448702980 WZRMKKSMDRUJPO-UHFFFAOYSA-N 247.338 3.626 30 20 BHED CC(=O)CCCCCSc1ccc(C#N)cc1 450807072 FVMAWTMAFFXKPX-UHFFFAOYSA-N 247.363 3.800 30 20 BHED CCC[C@H](N[C@@H]1CCC[C@H](C#N)C1)C1CCC1 459744260 DLAZXSJYQNADKK-CFVMTHIKSA-N 234.387 3.627 30 20 BHED C=CCN(C[C@H]1CCC2(CCCCC2)O1)C1CC1 467190268 FUDWXNRYTHJAOQ-OAHLLOKOSA-N 249.398 3.519 30 20 BHED C=CC[C@H]1N(C(=O)CCC2CC2)CCCC1(C)C 470271456 AUDOLDGJNSYGLZ-CQSZACIVSA-N 249.398 3.770 30 20 BHED C=C(C)CCN[C@@H]1CCC[C@@H]1c1ccccc1 510783642 ZRQSYHMQYGOPTP-HZPDHXFCSA-N 229.367 3.879 30 20 BHED C=CCN(C)Cc1ccc(C2CCC2)cc1 512705605 MSOIIKSREJNSAI-UHFFFAOYSA-N 215.340 3.572 30 20 BHED C=CCCCOc1ccccc1OCCC 525366223 DFCSOMZFLQKOTD-UHFFFAOYSA-N 220.312 3.820 30 20 BHED CC1(C)CC[C@H](Sc2ccc(C#N)cn2)C1 566095714 FXWCUXKWSWGZTR-NSHDSACASA-N 232.352 3.624 30 20 BHED C=C(CC)CSCc1cnn(C(C)(C)C)c1 596350011 RNAAMRDHSCAGLX-UHFFFAOYSA-N 238.400 3.838 30 20 BHED C=CC[C@H]1CCCN(C(=O)CC[C@H](C)CC)C1 617778203 ADSTXPAKVHBRGW-KGLIPLIRSA-N 237.387 3.627 30 20 BHED C=CCCC(C)(C)NC(=O)c1ccoc1CCC 620856911 FQCRUORZOIAIRX-UHFFFAOYSA-N 249.354 3.707 30 20 BHED C=CCCOC(=O)c1cc2ccccc2s1 729073253 JNSNVHUWAPLEBJ-UHFFFAOYSA-N 232.304 3.634 30 20 BHED Cc1cccc2c1C/C(=C\c1cccs1)C2=O 729149293 DAZNSNSUKZUOIY-DHZHZOJOSA-N 240.327 3.879 30 20 BHED COc1cc(F)cc(NN=C[C@H]2CC=CCC2)c1 759209780 JECVUSHNJRZIOQ-NSHDSACASA-N 248.301 3.588 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCc1c(C)cccc1F 766215664 KIQQKCQQDNDTPN-DGCLKSJQSA-N 235.346 3.824 30 20 BHED C=CCC[C@H](CC)Nc1cccc(OC)c1F 769984513 IBSFZSVBRZGYGS-NSHDSACASA-N 237.318 3.991 30 20 BHED C#CCCCCC(=O)OCc1c(C)cccc1C 773622619 BDOPHUAGPATSTB-UHFFFAOYSA-N 244.334 3.540 30 20 BHED FCc1ccc(CON=Cc2cccs2)cc1 777538070 CEICOVFVJQSNGJ-UHFFFAOYSA-N 249.310 3.768 30 20 BHED C#CCCCCCC(=O)Nc1ccccc1CC 779724278 AFPHJDFFPUHDRG-UHFFFAOYSA-N 243.350 3.771 30 20 BHED C#CCCCCCC(=O)NC[C@H]1CCC[C@H](C)C1 779860623 DVFQCZDYOQTFFU-GJZGRUSLSA-N 249.398 3.513 30 20 BHED C/C=C(/C=C\C(=O)OCCCC(C)(C)C#N)CC 784218941 YVCGDUXEVYHKQO-CTUCXJIYSA-N 249.354 3.772 30 20 BHED C=CCCCCCCNC(=O)[C@@H](C)[C@@H](C)CC 805219850 YKRWIROKBHBNHG-KBPBESRZSA-N 239.403 3.921 30 20 BHED C[C@H]1/C(=C/c2cncs2)C(=O)c2ccccc21 809159909 ZDZNTGVUKYTGOC-JHFYRWCBSA-N 241.315 3.527 30 20 BHED Cc1sccc1C=NN[C@H](C)c1ccccc1 814815173 PCXSNPDMLJBZMQ-LLVKDONJSA-N 244.363 3.741 30 20 BHED CCC[C@H](C=NOC(C)C)c1ccccc1 835003088 RBZARHCMNZJVAP-CQSZACIVSA-N 219.328 3.981 30 20 BHED C=CCC1(NC(=O)/C=C(/C)C2CC2)CCCCC1 836956574 IOCCTGZENGEIRV-SEYXRHQNSA-N 247.382 3.738 30 20 BHED C#CCC[C@H](C)OC(=O)c1sccc1C1CC1 839038018 FGERHQIPTKXJNX-JTQLQIEISA-N 248.347 3.584 30 20 BHED C1=CC[C@@H](C=NOCc2ccccc2)CC1 839418531 YQAFSRGNNFASTL-CYBMUJFWSA-N 215.296 3.545 30 20 BHED C=C(C)CCNC(=O)c1ccccc1C(C)C 854816176 PVDNDINYZJHIAF-UHFFFAOYSA-N 231.339 3.506 30 20 BHED C=CCC[C@H]1CCCN1C(=O)c1ccsc1C 1121245592 NLAYETJSTFWLFB-LBPRGKRZSA-N 249.379 3.627 30 20 BHED CC[C@@H]1CCCN([C@H](C#N)c2ccccc2)CC1 1167377981 XKZDOZFCPNBPTA-GDBMZVCRSA-N 242.366 3.763 30 20 BHED N#Cc1ccc(CSc2ccccc2O)s1 1188736466 NYTCQIPSNJUTRS-UHFFFAOYSA-N 247.344 3.618 30 20 BHED Cc1ccc(C)c(Oc2cc(C)c(C#N)cn2)c1 1306914382 GKUFNLYKRXBMMR-UHFFFAOYSA-N 238.290 3.671 30 20 BHED CC(C)(C)ON=C1CC[C@@H]1c1ccccc1 1320452075 ZPFQRJHGQMHRBK-GFCCVEGCSA-N 217.312 3.735 30 20 BHED C=CCCCN(C)[C@@H](C)c1ccc(OC)cc1 117872294 AVXLKFLEUNZFDB-ZDUSSCGKSA-N 233.355 3.654 30 20 BHED Cc1ccc(C)c(/C=C/C(=O)c2ccco2)c1 118975322 XRVDHIGMEHPZRJ-BQYQJAHWSA-N 226.275 3.793 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H](C)CCC(C)C 121957202 QFEPFNLBZWUCSD-ZDUSSCGKSA-N 237.387 3.696 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCc2c(O)cccc21 130362758 GDTUUWRRARXCQI-SLEUVZQESA-N 245.366 3.570 30 20 BHED C=C(Cl)CN[C@H](c1ccccc1)C(C)C 135836320 CQBRMPYWNDVFPZ-ZDUSSCGKSA-N 223.747 3.726 30 20 BHED C=C[C@H](C)N[C@H]1CC[C@@H](C)c2ccccc21 157270689 WJCLCCBSYVMJKA-XUJVJEKNSA-N 215.340 3.789 30 20 BHED C=CC[C@H](C)N[C@@H]1CCC[C@H](C(F)(F)F)C1 169122287 RLBUMMOUOAEOST-GARJFASQSA-N 235.293 3.662 30 20 BHED C=CCCCC(=O)N[C@@H](C)c1cc(C)cc(C)c1 175596933 YAXXOASGAJCDOT-AWEZNQCLSA-N 245.366 3.837 30 20 BHED Cc1ccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1 185787359 MMYBJWGHQBTFLG-DZKIICNBSA-N 242.366 3.728 30 20 BHED CCCCCCCCNC(=O)N1CCC[C@@H]1C 207002484 YDPIURJIXWYLCA-ZDUSSCGKSA-N 240.391 3.541 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccc(C#N)cc1 280944647 FYPJXQJRARORJM-IUODEOHRSA-N 228.339 3.564 30 20 BHED CC[C@@H](C)c1ccccc1OC(=O)CCCC#N 291278548 YNJCRDQLHCPASH-GFCCVEGCSA-N 245.322 3.799 30 20 BHED CC(C)C[C@H](C)OC(=O)Oc1cccc(C#N)c1 295343593 QAAFNVAIKKIIMC-NSHDSACASA-N 247.294 3.508 30 20 BHED C=CCCCN[C@@H](C)c1cc(C)cc(C)c1 303520600 RTGISXDUKQRDHS-AWEZNQCLSA-N 217.356 3.920 30 20 BHED CCCC/N=C(/N)Nc1ccc([C@@H](C)CC)cc1 303707469 MLDVASPUPYZFKN-LBPRGKRZSA-N 247.386 3.727 30 20 BHED C=CCC[C@H](CCC)N[C@@H]1CC[C@@H](C)C1 309171537 LMPUMXNBIYMLBL-HZSPNIEDSA-N 209.377 3.900 30 20 BHED N#CCc1cccc(NC2CCCCCC2)c1 313420197 AABYIYAOUZOIMW-UHFFFAOYSA-N 228.339 3.887 30 20 BHED C=CC[C@H](CC)N[C@H]1CC(C)(C)C[C@H]1C 379948048 RSBGVRCEVJGSPF-AGIUHOORSA-N 209.377 3.755 30 20 BHED C=C(Cl)CN[C@@H](C)[C@H]1CC2CCC1CC2 382118790 LLIDKNMMHAUBFW-YWPUVAFDSA-N 227.779 3.543 30 20 BHED CC[C@H]1CCCC[C@H]1OCCCCCC=O 390507209 XGDYFXCYLBUGOR-UONOGXRCSA-N 226.360 3.731 30 20 BHED C[C@@H](CCC1CC1)N[C@H](C)c1ccc(C#N)cc1 398108821 XEFGPFBSOMVWLU-QWHCGFSZSA-N 242.366 3.788 30 20 BHED C=CCN(C(C)C)[C@@H](C)c1ccccc1 428867499 LJFWSLBIYALVIS-ZDUSSCGKSA-N 203.329 3.644 30 20 BHED COC1(CSc2cccc(C#N)c2)CCCC1 478719621 IHSRITNWIOLCBI-UHFFFAOYSA-N 247.363 3.610 30 20 BHED C=C(C)CN(CC)Cc1ccc(F)cc1C 505876107 FUJYVLLFVVMATF-UHFFFAOYSA-N 221.319 3.532 30 20 BHED C=CCN1CC=C(c2cc(C)cc(C)c2)CC1 535792176 NUXYRBUFALHQKA-UHFFFAOYSA-N 227.351 3.579 30 20 BHED CCC[C@H]1CCCC[C@H]1Nc1cc(C#N)ccn1 557561304 VQUYQNBFURETBB-UONOGXRCSA-N 243.354 3.724 30 20 BHED C[C@@H](N[C@]1(C)CC1(C)C)c1ccc(C#N)c(F)c1 595102150 KNRHBHJUTLDZOC-MEBBXXQBSA-N 246.329 3.537 30 20 BHED C=CCCCCCN(C)Cc1ccnc(C)c1 621259283 QEZYFUGQYIJCBI-UHFFFAOYSA-N 232.371 3.568 30 20 BHED C=CCCCCSc1nnc(CC)s1 657272823 ITQUDWDHAKNMDS-UHFFFAOYSA-N 228.386 3.549 30 20 BHED CC(C)CON=C1CCSc2ccccc21 749632464 YRLWTMBOJTWJGJ-UHFFFAOYSA-N 235.352 3.559 30 20 BHED C=C[C@H](CC(=O)O[C@@H](C)CC)c1ccccc1 758913147 IJFXTRKXJGSURI-QWHCGFSZSA-N 232.323 3.688 30 20 BHED C=CCCO[C@@H](C)c1nc([C@H](C)CCC)no1 761851776 PFSZBCGYTOFGDA-MNOVXSKESA-N 238.331 3.627 30 20 BHED C[C@H]1CC(C)(C)CC1=NN[C@H]1C[C@H]2CC[C@H]1C2 766029239 KBDLOOAWLXXHRZ-CYDGBPFRSA-N 234.387 3.577 30 20 BHED CCC(CC)CNN=Cc1ccccc1C1CC1 774475050 OXRYKGNPNRICSU-UHFFFAOYSA-N 244.382 3.924 30 20 BHED CC(CSC(C)(C)C)=NNC1CCCCC1 786040530 OMQHPLKEHRVNTM-UHFFFAOYSA-N 242.432 3.816 30 20 BHED CC(C)[C@@H]1CCCC(=NO[C@H]2CCCCO2)C1 794523071 CMZBUCMRPUNLFV-OCCSQVGLSA-N 239.359 3.732 30 20 BHED C(=NNc1ccccc1)c1ccc2occc2c1 794856224 HKBPJDCHKQXJPN-UHFFFAOYSA-N 236.274 3.879 30 20 BHED CCC(=NOCC1CC1)c1ccc(Cl)s1 814244664 FWNTUOWYYSNHSO-UHFFFAOYSA-N 243.759 3.942 30 20 BHED C[C@@H](C=NOCc1cccnc1)C1CCCCC1 814883781 ABPQHYOKQQUKAE-ZDUSSCGKSA-N 246.354 3.800 30 20 BHED C/C(=C\C(C)(C)C)C(=O)O[C@@H]1CCC[C@H](C#N)C1 839050025 IOABGAFHCNMFDJ-MTYQHRKZSA-N 249.354 3.604 30 20 BHED N#CC1(CCOC(=O)C2=CCCC2)CCCCC1 840296141 YPHFEWOWQOGZCF-UHFFFAOYSA-N 247.338 3.504 30 20 BHED CC[C@H](CC1CCCC1)C(=O)OC1(C#N)CCC1 842319040 MQFLCEQIHZBRPE-CYBMUJFWSA-N 249.354 3.582 30 20 BHED CC[C@H](CCC(C)C)OC(=O)CC(C)(C)C#N 847740245 NOLPWLKQYCNFQI-GFCCVEGCSA-N 239.359 3.684 30 20 BHED CCCCCCC[C@@H](C)CNC(=N)NC(C)C 849065255 GRRLQILBNTUOJE-CYBMUJFWSA-N 241.423 3.505 30 20 BHED C[C@@H](COC(=O)CCCCCC#N)C(C)(C)C 869519587 OPXFLQKBPQAKOI-LBPRGKRZSA-N 239.359 3.686 30 20 BHED C=CCN(CC=C)CCCCC1(C#N)CCC1 929259705 KRMMELFJDJTCLY-UHFFFAOYSA-N 232.371 3.525 30 20 BHED C[C@H]1[C@H](C)CCN1CCCCC1(C#N)CCC1 929785108 MJSGHLLAHFEDAR-KGLIPLIRSA-N 234.387 3.581 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)CCC1(C)CC1 1262655745 XSZMLGFUFXCSNC-CYBMUJFWSA-N 235.371 3.524 30 20 BHED CC(C)[C@H]1CCCCCN1C[C@H](C)CCC#N 1308641699 LXPMKXRUQYYLBA-HUUCEWRRSA-N 236.403 3.827 30 20 BHED Cc1ccc(CSCCC(C)(C)C#N)nc1 1321025460 ZRBGYXMLPRGTSY-UHFFFAOYSA-N 234.368 3.563 30 20 BHED CCC(=NOC(C)(C)C)c1ccc2c(c1)CCO2 1324558931 TYSYCYHFFAMQHU-UHFFFAOYSA-N 247.338 3.551 30 20 BHED C=C(CC)C(=O)N(Cc1ccccc1)CC(C)C 1351092018 RYLFMHRERVOUQL-UHFFFAOYSA-N 245.366 3.637 30 20 BHED CC1(CC(=O)OCCCCC2(C#N)CCC2)CC1 1356195141 QFNYAKMKMGGZAQ-UHFFFAOYSA-N 249.354 3.584 30 20 BHED CCCN(CC1CCCCC1)[C@H]1CC[C@@H](C#N)C1 1459346895 GENXGSREIDHOKJ-CVEARBPZSA-N 248.414 3.971 30 20 BHED CCC[C@@H]1[C@@H](C)CCCN1CC1(CC#N)CC1 1644842551 JIPZUDDPPVGGMT-UONOGXRCSA-N 234.387 3.581 30 20 BHED CC1(C)CCC(S[C@H](C#N)C2CC2)CC1 1651925412 WAOLKJVPGSTHIQ-GFCCVEGCSA-N 223.385 3.991 30 20 BHED C=CCCN[C@H](C)c1ccc(Cl)s1 70591914 GFTOFEHCCZXTHR-MRVPVSSYSA-N 215.749 3.628 30 20 BHED C[C@H]1C[C@@H](NCc2cc(C#N)cs2)CC[C@H]1C 93688259 LTMXYIQRELPXRY-MDZLAQPJSA-N 248.395 3.534 30 20 BHED CCC(CC)(CC)NCc1ccc(F)c(C#N)c1 121517850 BJTWUPQRJHQOGC-UHFFFAOYSA-N 248.345 3.756 30 20 BHED C=C[C@H](C)N[C@H](C)c1cc(Cl)ccc1OC 122985561 VSHPSCVJEXHYRU-VHSXEESVSA-N 239.746 3.574 30 20 BHED C=CC[C@@H](C)NCC[C@H](C)c1ccccc1 169107362 OZFMTLKVFHXCSS-UONOGXRCSA-N 217.356 3.734 30 20 BHED Cc1ccc(F)c(/C=C/c2ccc(C#N)cn2)c1 172215468 PBZLWLFEXVPTET-GQCTYLIASA-N 238.265 3.571 30 20 BHED C=C(C)CN(CC)Cc1ncc(C(C)C)s1 182944671 TVNRRXYDNDFYFQ-UHFFFAOYSA-N 238.400 3.665 30 20 BHED N#C[C@@H]1CCC[C@@H](Nc2ccc3c(c2)CCC3)C1 185789766 ABAARPGBKLMTBQ-IUODEOHRSA-N 240.350 3.670 30 20 BHED C[C@@H](CSCCCC#N)c1ccccc1 191003737 OUEMRPICZFCSHZ-LBPRGKRZSA-N 219.353 3.827 30 20 BHED CC[C@H]1CCCC[C@H]1NCC(C)(C)CCC#N 229680866 GVSQDNWWEUGVEX-UONOGXRCSA-N 236.403 3.875 30 20 BHED O=C(/C=C\c1ccc(O)c(Cl)c1)c1ccco1 255321024 KWNSPZANAAHMLK-XQRVVYSFSA-N 248.665 3.535 30 20 BHED C#CCCCCC(=O)N(CC)c1cccc(C)c1 271362131 ITHMYCLSGDSVPA-UHFFFAOYSA-N 243.350 3.542 30 20 BHED CC(C)(C)CCNc1cccc(CC#N)c1 313476695 KCSVZZYBQWAEMC-UHFFFAOYSA-N 216.328 3.601 30 20 BHED CCc1ccc([C@@H](C)NCC(C)(C)CCC#N)o1 348218230 RFHCNDHNULRKIA-GFCCVEGCSA-N 248.370 3.823 30 20 BHED C=CCCNc1ccc(CC(F)(F)F)cc1 390746387 AJSARCKQJMACMP-UHFFFAOYSA-N 229.245 3.779 30 20 BHED CC[C@@H](CS[C@@H](C)c1ccc(C#N)cc1)OC 419416434 HDGBKGNELCOJLE-FZMZJTMJSA-N 249.379 3.777 30 20 BHED C=C(C)CNC(=O)[C@H](CC1CCCC1)C(C)C 427945746 LMBMSFSBSOTIAL-CQSZACIVSA-N 237.387 3.531 30 20 BHED C=CCC[C@@H](NCc1cccc(C)c1)C1CC1 439077407 LDXFODVIQDYMCR-MRXNPFEDSA-N 229.367 3.829 30 20 BHED CC[C@H]1CCCC[C@@H]1N(C)CC1(C#N)CCC1 450814208 XZBWWVJSYZZFLI-KBPBESRZSA-N 234.387 3.581 30 20 BHED C=C[C@H]1CCCCN1CCCc1ccsc1 489410230 UISYNCLDRVPNBF-AWEZNQCLSA-N 235.396 3.721 30 20 BHED C=CCCCCNc1cccc2cc[nH]c12 516718791 SWEQTLWXKINBSE-UHFFFAOYSA-N 214.312 3.936 30 20 BHED CC[C@@H](N[C@@H](C#N)C1CCCCC1)C(C)(C)C 523740669 YRJKLJQUXQMJDZ-UONOGXRCSA-N 236.403 3.873 30 20 BHED C=C(CC)COc1ccc(C(=O)CC)cc1F 536881350 JHYUMGAKLKGUIK-UHFFFAOYSA-N 236.286 3.763 30 20 BHED C=C(CC)CN(CC)[C@@H](C)c1ccc(C#N)cc1 538002716 QVKZEFKNZRGGJM-AWEZNQCLSA-N 242.366 3.907 30 20 BHED C=CCC(C)(C)c1noc(C2(C)CCCC2)n1 551139920 MPFPJRGVIUTFTK-UHFFFAOYSA-N 234.343 3.755 30 20 BHED Cc1cn(Cc2cccc(F)c2Cl)cc1C#N 552806687 IBNYYTIJXRRRRU-UHFFFAOYSA-N 248.688 3.509 30 20 BHED C=CCCCCSCC1CC(OCC)C1 564715456 DIOKMMORGGUZSZ-UHFFFAOYSA-N 228.401 3.891 30 20 BHED C[C@H](CC#N)NCC1CCC(C(C)(C)C)CC1 610803539 BYSDRTWBZYUEDQ-IYXRBSQSSA-N 236.403 3.731 30 20 BHED C=CC[C@H](CC)NC(=O)c1cc2occc2s1 684938627 DZXRDTYAWFEHCF-VIFPVBQESA-N 249.335 3.579 30 20 BHED CCCC(=NNc1cnccn1)C1CCCCC1 727778699 OPORLOICHJMFLZ-UHFFFAOYSA-N 246.358 3.625 30 20 BHED C#CCCCC(=O)O[C@H](CC)c1ccc(C)cc1 758918335 RGSXZADZUHGFPY-OAHLLOKOSA-N 244.334 3.793 30 20 BHED Cc1cccc(F)c1NN=C1CCC[C@@H]1C 769839149 AADUGQQGBZVZEK-VIFPVBQESA-N 220.291 3.722 30 20 BHED N#C[C@@H](OC(=O)CCC1CCC1)C1CCCCC1 776393260 DJJGYIVACRXPQK-CQSZACIVSA-N 249.354 3.582 30 20 BHED CC(C)C(C=NNc1ccnc(F)c1)C(C)C 789038533 YNXRBAJSTLBRLV-UHFFFAOYSA-N 237.322 3.547 30 20 BHED C[C@@]1(C=NNc2ccc(F)cc2)CCCS1 792885702 PCARJOMZTUWJRC-LBPRGKRZSA-N 238.331 3.509 30 20 BHED C[C@H]1CC(=NN[C@@H](C)C(C)(C)C)CC[C@H]1C 793117942 YFYQXCXMDRKVMV-WOPDTQHZSA-N 224.392 3.823 30 20 BHED CC[C@@H](C)CON=C(C)CSC(C)(C)C 793163128 GBPLVUFZHMGYLJ-SNVBAGLBSA-N 231.405 3.957 30 20 BHED CC1(C)[C@H]2CC[C@@]1(C)[C@H](NN=C1CCCC1)C2 794540761 CVJSNGZVVMOBKK-LNSITVRQSA-N 234.387 3.721 30 20 BHED CCCCCCC(C)=NOCCSC 794576098 BVPDFXSVOKMKFH-UHFFFAOYSA-N 217.378 3.712 30 20 BHED C=C(C)CCOc1c(C=O)ccc2ccccc12 814780944 OBKRXZUNNQERSL-UHFFFAOYSA-N 240.302 3.997 30 20 BHED Cc1ccc(/C=C/c2cc(C#N)ccn2)c(C)c1 1116855008 UDZOFNNBKDCWKL-AATRIKPKSA-N 234.302 3.741 30 20 BHED C=CCC(C)(C)CNC(=O)CC(C1CC1)C1CC1 1325148434 NZQXPEICUFJMSK-UHFFFAOYSA-N 249.398 3.531 30 20 BHED C=CC[C@@H](C)Nc1nc2cccc(C)c2o1 1326491451 DWMJNXHNJDWZHF-SNVBAGLBSA-N 216.284 3.513 30 20 BHED C[C@H]1CCCCC1=NNc1nc2ccccc2[nH]1 5070862 BPOAICCYARPGCI-JTQLQIEISA-N 242.326 3.541 30 20 BHED C=CCN(Cc1ccccc1)C(=O)[C@@H](C)CCC 45934985 YZKXBMWZORWTIA-AWEZNQCLSA-N 245.366 3.637 30 20 BHED C=C(C)CSc1nc(C)c(C)n1CC(C)C 48398202 JDPBGZHVVLSPNF-UHFFFAOYSA-N 238.400 3.824 30 20 BHED CCc1ccccc1CNc1cccc(C#N)c1 52200198 LPLBVTWWTWKKBH-UHFFFAOYSA-N 236.318 3.733 30 20 BHED CC[C@@H](CC#N)NC(CC(C)C)CC(C)C 54182734 LLKAOYLRTQALDT-ZDUSSCGKSA-N 224.392 3.729 30 20 BHED C#CCSc1nc(-c2ccc(F)cc2)cs1 59268406 KKDIOLVJDJDHLS-UHFFFAOYSA-N 249.335 3.675 30 20 BHED N#Cc1ccc(NCCC(F)(F)F)cc1Cl 63100495 GSENFLUVVYDRGP-UHFFFAOYSA-N 248.635 3.576 30 20 BHED N#Cc1ccccc1OCc1ccc2c(c1)CCC2 70498906 BCWRPKPDVNMRFB-UHFFFAOYSA-N 249.313 3.626 30 20 BHED CC(C)(C#N)CCSc1ccc(C#N)cc1 78962801 GDBYLHLUEZRVQB-UHFFFAOYSA-N 230.336 3.590 30 20 BHED C#CCCCCN[C@H](C)c1cc2ccccc2o1 90398649 KCSFXHKNNXUNNA-CYBMUJFWSA-N 241.334 3.887 30 20 BHED C=C(C)CNCc1cc2ccccc2s1 119665055 MGNNOXYVUASLHR-UHFFFAOYSA-N 217.337 3.567 30 20 BHED Cc1cc(F)c2c(c1)CCCN2CCCCC#N 120082202 QSSYEGHCKFKPFF-UHFFFAOYSA-N 246.329 3.581 30 20 BHED C#CCCCCC(=O)Nc1c(C)cccc1Cl 120225490 UHWDTKUAXLLKLO-UHFFFAOYSA-N 249.741 3.781 30 20 BHED C[C@@H]1CC[C@@H](NCCCCC#N)c2ccccc21 178647259 AHHADWXSXMVVQT-CZUORRHYSA-N 242.366 3.908 30 20 BHED C=CCCN[C@@H](CC)c1ccc(F)cc1F 179623311 JRWREGGYEFIUQT-ZDUSSCGKSA-N 225.282 3.582 30 20 BHED CCCCC[C@@H](NCCCC#N)C(C)(C)C 179916586 XVTCHWJHQUCTBB-CYBMUJFWSA-N 224.392 3.875 30 20 BHED C=CCCCC(=O)Oc1cc(F)ccc1Cl 194312710 MQTALTHWVZHRCX-UHFFFAOYSA-N 242.677 3.741 30 20 BHED C[C@H]1CCC[C@H](OC(=O)C2(C#N)CCCCC2)C1 194315341 NEWICPCMZKZDND-STQMWFEESA-N 249.354 3.582 30 20 BHED C[C@@H]1CC[C@@H](C)[C@@H](Nc2ccc(CC#N)cc2)C1 221891431 MVFFZSVOFDKUSK-IOASZLSFSA-N 242.366 3.989 30 20 BHED C=CCC(CC=C)C(=O)N(CC)[C@@H](C)C(C)C 268234004 KVVZDWUCAQHEKJ-ZDUSSCGKSA-N 237.387 3.648 30 20 BHED C=CCCCSCc1ncccc1C 272075896 RQWIPZMTTXJKFP-UHFFFAOYSA-N 207.342 3.589 30 20 BHED C=CCCC[C@@H](C)Nc1ccc(F)cc1C#N 301985245 CIJZJAIKQVGLAJ-LLVKDONJSA-N 232.302 3.854 30 20 BHED C[C@@H]1CCC[C@@](C=O)(C/C=C/Cl)C1 306344254 NDFVWMBHQHXRSF-XEQKKNTQSA-N 200.709 3.524 30 20 BHED C=CCCN(Cc1cccs1)CC(F)(F)F 338566314 DVPQCNADEAMZFE-UHFFFAOYSA-N 249.301 3.689 30 20 BHED C=CC[C@@H]1N(C(=O)CC2CCC2)CCCC1(C)C 347430643 ARNBGFFSJHQJMX-AWEZNQCLSA-N 249.398 3.770 30 20 BHED Cc1ccc(CNc2cccc(C#N)c2C)s1 354731475 AALGNEJJRMKIGM-UHFFFAOYSA-N 242.347 3.849 30 20 BHED C=C(CC)CSC[C@@H]1CC1(Cl)Cl 379312324 YTVKONJBIGKNIC-QMMMGPOBSA-N 225.184 3.880 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(F)cc1F 393745317 JBLLHRLIBURUJX-CMPLNLGQSA-N 239.309 3.970 30 20 BHED C=CCOCCS[C@@H](C)c1cccc(C#N)c1 419470538 YGHUQQYPLPKVFC-LBPRGKRZSA-N 247.363 3.555 30 20 BHED C=CCN(CCC#N)CC[C@H](C)c1ccccc1 430093864 HLRZKZFGMPTVDP-HNNXBMFYSA-N 242.366 3.582 30 20 BHED C[C@H]1CCC[C@@H](CCN(C)CC(C)(C)C#N)C1 433301767 WDTKSPSHSCUAJY-KBPBESRZSA-N 236.403 3.684 30 20 BHED C=CCCCCCn1ncc(Cl)c1C 447327959 WMZOCYASAZGEMH-UHFFFAOYSA-N 212.724 3.591 30 20 BHED C=CCCN(C)[C@H]1CCc2ccc(Cl)cc21 467293506 LARFBOHEFQFZCO-AWEZNQCLSA-N 235.758 3.835 30 20 BHED C=CCCCCNC[C@@H](C)c1ccc(F)cc1 472056160 ZWNALWJNEJQGSF-CYBMUJFWSA-N 235.346 3.875 30 20 BHED C=C[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1 488851326 GEKHEXNFYOEIHS-CYBMUJFWSA-N 249.741 3.521 30 20 BHED C=C(C)CNCc1ccccc1OCCCC 512343489 PFNQUKYVYUXSGO-UHFFFAOYSA-N 233.355 3.531 30 20 BHED C=CCN(CC(=C)CC)Cc1cccs1 539094686 AHWVYKCOVLKHIG-UHFFFAOYSA-N 221.369 3.702 30 20 BHED CC[C@@H]1CCC[C@@H](CN2CCC(CC#N)CC2)C1 542486936 WFNSAEJHFXKUFU-GDBMZVCRSA-N 248.414 3.828 30 20 BHED Cc1ccc(NC(=O)CCCCCC#N)cc1C 588148035 JIGZQXFYGPFLAF-UHFFFAOYSA-N 244.338 3.716 30 20 BHED CC(C)(C)OCCCSCC1(C#N)CCC1 591385918 HEPINOZABHFGEO-UHFFFAOYSA-N 241.400 3.619 30 20 BHED C=CC[C@@H]1CCCC[C@H]1NCC1(SC)CC1 595054423 NWVPPCGMLZJYQC-CHWSQXEVSA-N 239.428 3.607 30 20 BHED C=CCC1(NCCSC(C)C)CCCC1 595780563 VDYOKJGHRCBNBG-UHFFFAOYSA-N 227.417 3.607 30 20 BHED C=C(C)CCOC(=O)/C=C/Sc1ccccc1 744303878 CCKWANSEUAJVCL-PKNBQFBNSA-N 248.347 3.802 30 20 BHED C/C(=C\C(=O)Nc1sccc1C#N)C(C)(C)C 744352505 KOFMEGUAUQVLFC-VQHVLOKHSA-N 248.351 3.551 30 20 BHED CCON=C1C[C@@H](C)C[C@H](c2ccccc2)C1 749859408 QDFLEVIENXONNR-JSGCOSHPSA-N 231.339 3.983 30 20 BHED CC(C)[C@H]1CCCCC1=NO[C@H]1CCCCO1 755815375 RRNOXKSETZDRQR-OCCSQVGLSA-N 239.359 3.732 30 20 BHED CC#CCCSCCOc1ccccc1C 764941518 SFBHFFCOOCMEGW-UHFFFAOYSA-N 234.364 3.520 30 20 BHED CC1=CCC[C@H](C)[C@H]1C=NO[C@@H]1CCCCO1 773208720 NVPZVJGREZRYCW-MELADBBJSA-N 237.343 3.508 30 20 BHED CC[C@@H](C)CON=C(C)c1ccc(F)cc1 793158429 FVHOORBREIEYBW-SNVBAGLBSA-N 223.291 3.612 30 20 BHED CC[C@@H](C)CON=Cc1nccc2ccccc12 793163589 LTZANBKXSMCTGZ-GFCCVEGCSA-N 242.322 3.631 30 20 BHED C=CCCC(CCC)=NN[C@@H](C)C(F)(F)F 834998281 DZBGURXOXFPYST-VIFPVBQESA-N 236.281 3.649 30 20 BHED CCCC(CCC)=NNc1ncc(F)cc1F 835022673 PMDBABBHWHSUPQ-UHFFFAOYSA-N 241.285 3.728 30 20 BHED Cc1ccc(N(C)CCCC(C)(C)C#N)c(F)c1 839648364 MZQVLXJAWFBTJD-UHFFFAOYSA-N 248.345 3.900 30 20 BHED C=CC[C@H]1N(Cc2ocnc2C)CCCC1(C)C 894574034 LHZADOZYRWNZQN-CQSZACIVSA-N 248.370 3.550 30 20 BHED Cc1ccc(NN=Cc2cccc(F)c2)cc1 916250613 NTXHTFHFVOPLHU-UHFFFAOYSA-N 228.270 3.580 30 20 BHED N#CCCN(CCC1CCCCCC1)CC1CC1 1652630519 OUSLTGUXOMFJRO-UHFFFAOYSA-N 248.414 3.973 30 20 BHED N#Cc1cccc(COc2ccc3c(c2)CCC3)c1 20546733 BPJMBVXRGNKDRQ-UHFFFAOYSA-N 249.313 3.626 30 20 BHED N#CCCCN1CCCCC[C@H]1c1ccccc1 76748369 HKRSUIMQTQMDBJ-INIZCTEOSA-N 242.366 3.907 30 20 BHED CC(C)(C#N)CCCN1CCCC(C)(C)CC1 87657785 SKWWWWAAZHKYTH-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C=CCS[C@H](C)C(=O)Nc1ccc(C)cc1C 114757008 SJTQYYXLQVOIOE-GFCCVEGCSA-N 249.379 3.550 30 20 BHED C[C@H]1C[C@@H](C)CN([C@@H](C)c2ccc(C#N)cc2)C1 118390312 AXGHDBGWHKLVRX-MJBXVCDLSA-N 242.366 3.597 30 20 BHED CC[C@@H](CC#N)NCc1c(C)oc2ccccc12 121282431 IRNBFTULMLMIIA-LBPRGKRZSA-N 242.322 3.523 30 20 BHED C=C(C)CN[C@H](C)c1cccc(C(F)(F)F)c1 126949232 LQNVCMMAKMLKEA-SNVBAGLBSA-N 243.272 3.932 30 20 BHED Cc1cc(Oc2cccc(F)c2C#N)ccc1F 158868704 YZOJKTAPOXSKCN-UHFFFAOYSA-N 245.228 3.937 30 20 BHED C#CCCCNc1ccccc1C(F)(F)F 161053653 AHRYZYWUHUYQCY-UHFFFAOYSA-N 227.229 3.531 30 20 BHED C=CC[C@@H](C)N[C@@H](CC)c1cccs1 161640652 WFEZAIHCZFMTBX-MNOVXSKESA-N 209.358 3.753 30 20 BHED C#CCCCNC(=O)[C@@](C)(CC)CCCCC 187523121 MYDYMILQSZFHOC-HNNXBMFYSA-N 237.387 3.513 30 20 BHED C#CCCCC(=O)Nc1cccc(C(C)C)c1 192040462 YSJVQWUCONUEPQ-UHFFFAOYSA-N 229.323 3.552 30 20 BHED C[C@@H]1CCCCN([C@H](C)c2ccc(C#N)cc2)C1 248547589 GGGUCRVMVWFZEZ-ZIAGYGMSSA-N 242.366 3.741 30 20 BHED Cc1ccc(C#N)cc1OC/C(Cl)=C\Cl 255897192 OJXXEYHFAGPLKR-BJMVGYQFSA-N 242.105 3.565 30 20 BHED C[C@@H]1c2ccccc2CCN1CCC(C)(C)C#N 272051442 ULTVXWCORNIBOL-CYBMUJFWSA-N 242.366 3.546 30 20 BHED C=CC1CCN(c2c(Cl)cccc2C#N)CC1 301389589 FUZGZTPEOLGNRZ-UHFFFAOYSA-N 246.741 3.614 30 20 BHED C=CCC(C)(C)CN[C@H]1CCc2cccc(O)c21 386251393 SRQYNAQDHNYENU-ZDUSSCGKSA-N 245.366 3.571 30 20 BHED C=C(CC)CN[C@H](c1ccccc1)C(F)F 390774717 ZLPLJTKTZXHPQA-GFCCVEGCSA-N 225.282 3.549 30 20 BHED C=C(C)C(C)(C)c1nc(-c2ccccc2F)no1 424250858 XPWZXIVAODNXFQ-UHFFFAOYSA-N 246.285 3.729 30 20 BHED C=CCC(C)(C)C(=O)NCC1CCC(C)CC1 429817740 ASVFWVDCDGICAD-UHFFFAOYSA-N 237.387 3.531 30 20 BHED COCC[C@@H](C)SCCCCC(C)(C)C#N 435892773 MFKVDXATTZNBSO-GFCCVEGCSA-N 243.416 3.865 30 20 BHED C=C(C)COc1ccc(F)cc1OC(C)C 479410572 MKXSROYACLKDAW-UHFFFAOYSA-N 224.275 3.568 30 20 BHED C=C1CCN(Cc2cc(C)cc(Cl)c2)CC1 508248584 NJWHGMMWZNNFFW-UHFFFAOYSA-N 235.758 3.800 30 20 BHED Cc1ccc2c(c1)CC[C@H]2Nc1ccc(C#N)cc1 511699465 UGJFOHQCJANDHC-QGZVFWFLSA-N 248.329 3.966 30 20 BHED C=CCN1C[C@@H](C)CC[C@H]1c1ccccc1 512188436 YMANLKBRUVCVIG-ZFWWWQNUSA-N 215.340 3.646 30 20 BHED C=C(C)CCN1CCC=C(c2ccccc2)C1 517905019 CEQRENPWZWQGBQ-UHFFFAOYSA-N 227.351 3.742 30 20 BHED C=C(CC)COc1cc(F)cc(F)c1C(C)=O 538013298 SYWJQNPBQJPSQA-UHFFFAOYSA-N 240.249 3.512 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1ccncc1CC 539214598 QXIBLGKRIDGSEW-IHRRRGAJSA-N 246.398 3.895 30 20 BHED C=CCCN[C@H](C(=C)C)c1ccc(F)c(F)c1 548491322 PENWRADQFSNEHW-CQSZACIVSA-N 237.293 3.748 30 20 BHED C=C(C)CCc1noc(C[C@H]2CCC[C@H]2C)n1 558388258 LUSIKFGXADVVRZ-VXGBXAGGSA-N 234.343 3.557 30 20 BHED C=CCCCSCc1ccc(Cl)cn1 562149654 FDEJGPUKPOUCQF-UHFFFAOYSA-N 227.760 3.934 30 20 BHED C=CCCC[C@H](C)NC(=O)N(CCC)C(C)C 570526698 MYSPEGAGFITAHA-ZDUSSCGKSA-N 240.391 3.561 30 20 BHED C=CCCC1(c2nc(-c3ccccc3)no2)CC1 578676218 VCWLBLCAEVIDCV-UHFFFAOYSA-N 240.306 3.734 30 20 BHED C/C=C\CSCc1ccc(C#N)cc1C 614394718 KYJQVJXSQNHFQX-ARJAWSKDSA-N 217.337 3.676 30 20 BHED C=C(CC)CNCc1csc(C(F)(F)F)c1 623542448 BADVHGQVRYIOPK-UHFFFAOYSA-N 249.301 3.823 30 20 BHED C=C(CC)CN[C@@H]1CCc2c(F)cc(F)cc21 651473182 DIDGDMAXTALULY-CQSZACIVSA-N 237.293 3.508 30 20 BHED C[C@@H](COc1cccc(C#N)c1)C(C)(C)C 711177706 BJJSHRBWCBVOKA-NSHDSACASA-N 217.312 3.619 30 20 BHED C=CCCCOC(=O)c1cc2cc(C)ccc2o1 735531101 WVERSNFVZHDTAE-UHFFFAOYSA-N 244.290 3.864 30 20 BHED CCCCCCCOC(=O)[C@@H](C)c1ccco1 744046748 HFMOVHDFHMGSFN-LBPRGKRZSA-N 238.327 3.897 30 20 BHED C#CCN(Cc1ccccc1)Cc1cccc(C)c1 746156642 MJRITTDHJONFLR-UHFFFAOYSA-N 249.357 3.630 30 20 BHED CC1(C)CCCC1=NNc1ccc([N+](=O)[O-])cc1 749853631 RDYLLMAGOFCJBP-UHFFFAOYSA-N 247.298 3.573 30 20 BHED C=CCN(C(=O)C(C)(C)C1CCCCC1)C1CC1 754417323 GVHZSFGVDNHAEV-UHFFFAOYSA-N 249.398 3.770 30 20 BHED CC(=NNc1cc(C)ccn1)c1ccc(C)cc1 755906608 NQKMWFSTJKZHCL-UHFFFAOYSA-N 239.322 3.535 30 20 BHED C[C@H]1CCC[C@@H](C=NNCc2ccccc2)C1 768354856 KYPIYMILXNMOES-DZGCQCFKSA-N 230.355 3.588 30 20 BHED CCCCCCCC(=O)N1CC[C@H](C)[C@H]1CC 772870688 YVOTZVBVWIQYCQ-UONOGXRCSA-N 239.403 3.994 30 20 BHED C#CCCCN[C@H]1C[C@H](C(C)C)c2ccccc21 774211649 VDDNFOKSLRIARW-SJORKVTESA-N 241.378 3.874 30 20 BHED CCc1ccc(/C=C/C(=O)c2ccncc2)s1 776187890 BWQPBKHOCIPTAQ-AATRIKPKSA-N 243.331 3.602 30 20 BHED C#CCCCN[C@@H](c1ccc(C)cc1)C1CCC1 779025758 DKTDGCZJTPQMQF-QGZVFWFLSA-N 241.378 3.839 30 20 BHED C#CCCCCCC(=O)N1C[C@@H](C)CCC[C@H]1C 779958326 APLWQIBPLSOHBI-LSDHHAIUSA-N 249.398 3.607 30 20 BHED C#Cc1ccc(CNc2ccc(C)cc2C)cc1 809596887 FHAYOMHCGFEGJB-UHFFFAOYSA-N 235.330 3.897 30 20 BHED C[C@@H]1CCC(=NOCCC2CC2)C[C@H]1C 814246019 RWOUHPJZJSTWHR-GHMZBOCLSA-N 209.333 3.615 30 20 BHED CCCCCCCCC(=O)N1C[C@H]2C=C[C@H]1C2 882415243 GGKOBOUOTCOLHK-KBPBESRZSA-N 235.371 3.524 30 20 BHED CC(C)c1ccc(NC[C@@H](C)CCC#N)cn1 896611883 FZYIMVMVDCGWFI-LBPRGKRZSA-N 231.343 3.557 30 20 BHED C=CCN(C(=O)/C=C(\C)C1CC1)c1ccccc1 917633837 DUDBDJKXSSBLHV-OUKQBFOZSA-N 241.334 3.562 30 20 BHED C=C(C)CCC(=O)N1CCC[C@H]1c1ccccc1 1262674866 OFZRGKMUEXBHNG-HNNXBMFYSA-N 243.350 3.706 30 20 BHED C#Cc1cccc(N[C@H](CC)C(C)C)c1 37185163 PETGKJRHNXVGAP-CQSZACIVSA-N 201.313 3.514 30 20 BHED CCCC[C@H](C)Nc1cccc(C#N)c1 37203185 LZDVNKONFOEMAI-NSHDSACASA-N 202.301 3.549 30 20 BHED C#CCCNC1CCC(C(C)(C)CC)CC1 70191056 SCVACIBHMHGNSK-UHFFFAOYSA-N 221.388 3.594 30 20 BHED CC[C@H]1CCC[C@H](Nc2ccc(C#N)cc2)C1 71105785 QUNYYSAAGJTOPH-WFASDCNBSA-N 228.339 3.939 30 20 BHED C=CCCC(=O)Nc1cccc(Cl)c1Cl 102213844 VXMSECHJWMZLKX-UHFFFAOYSA-N 244.121 3.898 30 20 BHED C=C[C@H](C)N[C@H](C)c1cc(C)sc1C 119316748 XWFHCGDGSFUYFU-WCBMZHEXSA-N 209.358 3.590 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc2ccccc2n1 180948348 BFRSAWIVVAZWJO-QWHCGFSZSA-N 240.350 3.850 30 20 BHED CCOc1ccccc1N[C@@H]1CCC[C@@H](C#N)C1 185729363 MTYVJIFQEDGPAM-CHWSQXEVSA-N 244.338 3.580 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H]1C[C@@]1(C)C(C)C 186918953 VTQIWDLGALMODP-GUTXKFCHSA-N 237.387 3.530 30 20 BHED Cc1ccc(OCc2ccccc2C#N)cc1F 226418861 BBNJMPABIPSNLI-UHFFFAOYSA-N 241.265 3.585 30 20 BHED CC[C@@H](C)CSc1ccc(C#N)cc1 228556421 VICSNYHAQUMRTD-SNVBAGLBSA-N 205.326 3.696 30 20 BHED Cc1ccccc1[C@@H](C)OC(=O)CC(C)(C)C#N 278690465 HMQNQABUZKIYAO-GFCCVEGCSA-N 245.322 3.539 30 20 BHED C=CCCCCCCN[C@H]1C[C@H](C)n2ccnc21 294158116 QOPFNABMISCCHD-KBPBESRZSA-N 247.386 3.615 30 20 BHED CN(CCCC#N)[C@H]1CCC[C@H]1c1ccccc1 297452464 HIZZBBAZBLIJJN-HOTGVXAUSA-N 242.366 3.558 30 20 BHED C#CCCCCN[C@@H](CCC(C)C)C1CC1 304340959 OUUCNZPKNJBNDC-HNNXBMFYSA-N 221.388 3.594 30 20 BHED C=CCC[C@@H](NCC1(C(C)C)CC1)C1CC1 309622008 PEZXIVDXEYRIDV-CQSZACIVSA-N 221.388 3.757 30 20 BHED C=CC[C@@H](CC)N[C@H](CC)c1ccc(C#N)cc1 343507534 OXYQFHFQQXRUKJ-HZPDHXFCSA-N 242.366 3.954 30 20 BHED C=C(CC)CN1CCC(n2c(C)ccc2C)CC1 358506252 JGMUVVAHXJQGIG-UHFFFAOYSA-N 246.398 3.708 30 20 BHED C=CCCCCC[C@H](C)N[C@H](C)CSC 380222743 JPISWBVZRAWEJN-QWHCGFSZSA-N 229.433 3.853 30 20 BHED C=C(C)CCNC1CC(c2cccc(F)c2)C1 386732381 BKSQRZBYJFFXLA-UHFFFAOYSA-N 233.330 3.628 30 20 BHED C[C@@H]1CN(Cc2ccc(C#N)cc2)c2ccccc21 398516974 UDGZHPOAEZIUEG-CYBMUJFWSA-N 248.329 3.682 30 20 BHED C=CCC[C@H](CCC)NCC(C)(C)CC#N 459684346 CFAOSYQMVKDBCO-ZDUSSCGKSA-N 222.376 3.651 30 20 BHED C=CC[C@@H](CC)NCc1cc2ccc(F)cc2[nH]1 466385712 JADBCSDDEKKQEF-CYBMUJFWSA-N 246.329 3.751 30 20 BHED CCC[C@H](C(=O)Nc1cccc(C#N)c1)C(C)C 479978858 MCGNVSSMOYDXQS-AWEZNQCLSA-N 244.338 3.569 30 20 BHED C=CC1CCN(Cc2cc3ccccc3o2)CC1 532622739 CROMGMPEZHBISJ-UHFFFAOYSA-N 241.334 3.831 30 20 BHED C=CC1CCN(Cc2ccc(C)c(F)c2)CC1 537627282 RXJYQDXQTMZDDY-UHFFFAOYSA-N 233.330 3.532 30 20 BHED C=CCC[C@H](CC)N[C@H]1CCC[C@H](F)C1 570569337 OGUOYWCTRAFNLZ-AVGNSLFASA-N 213.340 3.602 30 20 BHED C=CC[C@H]1CCCN([C@@H](C#N)c2ccccc2)C1 595658075 HFYBSHFENLYNPM-HOCLYGCPSA-N 240.350 3.539 30 20 BHED C=CCCCN1CCC[C@H]1Cc1ccccc1C 605150955 JPFPYHXERCLAON-KRWDZBQOSA-N 243.394 3.968 30 20 BHED C=CCCN[C@@H](C)c1cc2ccncc2s1 658113669 IGHRKWQSPCEADE-JTQLQIEISA-N 232.352 3.523 30 20 BHED Cc1cccc(NN=C2CCC[C@H]2C)c1 729141216 UZRKMCKRXUAHKN-LLVKDONJSA-N 202.301 3.583 30 20 BHED CCCCCCCC(=O)N1CCC[C@H](C)[C@H]1C 741587206 KUUIJEZBAWCAJX-UONOGXRCSA-N 239.403 3.994 30 20 BHED CC(C)(C)[C@@H]1CCCC(=NNC2CC2)CC1 758126726 HKQHULOZVBPVMW-LLVKDONJSA-N 222.376 3.721 30 20 BHED C#CCCCN(CC)[C@@H](C)c1ccc(F)cc1 766894490 CKYSRBVENOYLIC-ZDUSSCGKSA-N 233.330 3.622 30 20 BHED CC/C(C)=C(\C)C(=O)O[C@@H](C#N)C1CCCCC1 780216767 SKJUZDNAIPBTCC-GETOMWPZSA-N 249.354 3.748 30 20 BHED C[C@@H]1C[C@@H]1c1ccc(C=NN[C@H](C)C(C)(C)C)o1 793116831 UWXFMLMIQODYPQ-WZRBSPASSA-N 248.370 3.761 30 20 BHED C#CC[C@H](N[C@@H]1CCC12CCC2)c1ccccc1 800483138 ZQDXGSRXVUNEIO-JKSUJKDBSA-N 239.362 3.673 30 20 BHED C[C@H]1CC(=NOC/C=C/Cl)CC[C@H]1C 811671676 JQBCQRRTTSKCKQ-OYXKVCENSA-N 215.724 3.568 30 20 BHED c1cc2c(o1)CCCC2=NOC1CCCCC1 814910535 WOWSJELRUBKMSG-UHFFFAOYSA-N 233.311 3.669 30 20 BHED C[C@@H]1CCCCN1N=C[C@H]1C[C@H]1c1ccccc1 853379073 FTFZKWVPRGFUHA-BMFZPTHFSA-N 242.366 3.650 30 20 BHED C=C(C)CCC(=O)N1[C@@H](C)CCC[C@H]1CC 1353736863 AEBSRKNXUQPKTP-QWHCGFSZSA-N 223.360 3.522 30 20 BHED N#Cc1ccnc(SCCC(F)=C(F)F)c1 1643640487 INLIAJNSCRBLOK-UHFFFAOYSA-N 244.241 3.513 30 20 BHED C=CCOc1ccc(OCc2ccccc2)cc1 38284630 OWMGFGMROGRUTP-UHFFFAOYSA-N 240.302 3.830 30 20 BHED C=C(Cl)CN[C@H](C)c1ccc(Cl)s1 42587805 BQGXCUBOYYNTKW-SSDOTTSWSA-N 236.167 3.805 30 20 BHED C=CCCCNc1cccc2c1ccn2C 77245805 NXEDWKOYMRDRBZ-UHFFFAOYSA-N 214.312 3.556 30 20 BHED Cc1ccc(Cl)c(OCC2(CC#N)CC2)c1 88272133 QOTROAXXUAXPHS-UHFFFAOYSA-N 235.714 3.721 30 20 BHED CC(C)C[C@H]1CCCCCN1CCCCC#N 120746601 OQXRUEKESIQJOS-OAHLLOKOSA-N 236.403 3.971 30 20 BHED C=CCCN[C@H]1CCCC[C@H]1C(C)(C)C 125395073 DECSCWYUNBPBAW-OLZOCXBDSA-N 209.377 3.757 30 20 BHED C=C[C@H](Cc1nc(C(C)C)no1)c1ccccc1 130581683 XLOBQEVFNBYZQW-GFCCVEGCSA-N 242.322 3.705 30 20 BHED C=CCCCCCN(C)C(=O)[C@H]1CC=CCC1 156856518 FJVITKHETIAOKG-AWEZNQCLSA-N 235.371 3.548 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cc2cccc(OC)c2o1 164612383 DMMLFKHAANBNKT-QWRGUYRKSA-N 245.322 3.667 30 20 BHED C=CCCC[C@@H](C)NC(=O)C[C@@H]1C=CCCC1 188980894 VOJNLFYWRBKIET-ZIAGYGMSSA-N 235.371 3.594 30 20 BHED C=CCCN(C)Cc1cccc(C(F)F)c1 279294071 LKECCSYSKPASRM-UHFFFAOYSA-N 225.282 3.632 30 20 BHED CC[C@H](C)[C@@H](C)Nc1cc(C)cc(C#N)c1 308109764 UMHUUEDNXXOFPS-NWDGAFQWSA-N 216.328 3.713 30 20 BHED C=C(C)C/N=C(/O)c1coc(C2CCCCC2)n1 330424749 ISIPOYYHQOXDFQ-UHFFFAOYSA-N 248.326 3.603 30 20 BHED C=CCN(CCC#N)Cc1cc(C)cc(Cl)c1 353586827 XSKFOLIGCXFYHL-UHFFFAOYSA-N 248.757 3.550 30 20 BHED Cc1cc(COc2ccccc2C#N)c(C)s1 357408532 KQZHMXXBLSVVCV-UHFFFAOYSA-N 243.331 3.816 30 20 BHED C=C(Cl)CN[C@@H](CCC(C)C)C1CC1 388723386 WQRFAAFUAAGZCJ-LBPRGKRZSA-N 215.768 3.543 30 20 BHED CC(C)C[C@@H]1CCCN1CCCC(C)(C)C#N 396905235 FBBXKSHOBRHOBU-AWEZNQCLSA-N 236.403 3.827 30 20 BHED CC[C@@H](CSCCCCC(C)(C)C#N)OC 419622043 GDPAXCDHOQLLJT-LBPRGKRZSA-N 243.416 3.865 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)c1cccnc1 449147757 RFNLUDWTWAAVPI-KBPBESRZSA-N 232.371 3.867 30 20 BHED C=CC(C)(C)c1nc(-c2cc(F)ccc2C)no1 453070984 QAJPENRGXLXUCG-UHFFFAOYSA-N 246.285 3.648 30 20 BHED C=C(CC)CNc1cnn(CCC)c1C1CC1 453144603 GSRDPQLMEVMKJX-UHFFFAOYSA-N 233.359 3.549 30 20 BHED CC#CCN1CCCC[C@H]1c1ccc(C)cc1 525641203 ZXAXYIPMTMOBON-INIZCTEOSA-N 227.351 3.545 30 20 BHED CC[C@H](OCCSCCC#N)c1ccccc1 593424032 ZSFHLKIDGDGOOK-AWEZNQCLSA-N 249.379 3.801 30 20 BHED CCC[C@@H](CC)SCC1(CC#N)CC1 594894700 AKYQXAQSTSHORH-LLVKDONJSA-N 211.374 3.992 30 20 BHED CCC1CCC(N(C)C[C@@H](C)CCC#N)CC1 602442092 UORVESPQJXXPQR-NFOMZHRRSA-N 236.403 3.827 30 20 BHED C=C(CNc1ccc(Cl)cn1)c1ccccc1 673461827 WPMHJJRTOQRVSI-UHFFFAOYSA-N 244.725 3.860 30 20 BHED C=CCCOC(=O)c1oc2c(C)cccc2c1C 729074331 SFVDSGZQGYXAIK-UHFFFAOYSA-N 244.290 3.783 30 20 BHED C=C(Cl)CNC(=O)C[C@H](C)CCCCCC 736245292 NDOIVPKGSZEQFC-LLVKDONJSA-N 245.794 3.852 30 20 BHED C[C@@H]1CC(/N=C\c2ccccc2O)C[C@H](C)C1 739425068 BHIHMZMBMFTSIY-QZIYPOSJSA-N 231.339 3.636 30 20 BHED C[C@@H]1CCC(=NOCC(F)F)c2ccccc21 758899651 KMYSINKFGNXHQL-SECBINFHSA-N 239.265 3.570 30 20 BHED C=C(C)CNC(=O)C[C@H](C)CCCCCC 779068683 AUZZDGIYWIUXRT-CYBMUJFWSA-N 225.376 3.675 30 20 BHED C[C@H](CC=NOC/C=C/Cl)c1ccccc1 811668573 HSJATKMSHRHJDV-WNQJTARXSA-N 237.730 3.935 30 20 BHED CC[C@@H](C=NOCCSC)c1ccccc1 814921952 LZQCOKMFEAMXHW-LBPRGKRZSA-N 237.368 3.546 30 20 BHED CCCCCCCNC(=O)CCC(C)(F)F 862360635 VPJNTMASDOMTQI-UHFFFAOYSA-N 235.318 3.508 30 20 BHED C=CCCC[C@H](C)NC(=O)C1CCC(=C)CC1 889873909 PZVRKFLPRHJBIP-ZDUSSCGKSA-N 235.371 3.594 30 20 BHED CC[C@@H](NC1(C2CC2)CC1)c1cccc(C#N)c1 902916073 GFGAHTAZFWAUIL-OAHLLOKOSA-N 240.350 3.542 30 20 BHED Cc1cc(C)c(NN=C2CCCC2)c(C)c1 916339191 GRHUDJBSKGLMDO-UHFFFAOYSA-N 216.328 3.954 30 20 BHED CCCC(CC)=NNc1ccc(C(C)(C)C)nn1 1319837799 WFNGYETVMJUHHG-UHFFFAOYSA-N 248.374 3.752 30 20 BHED CCN(CCC1(C#N)CCCCC1)CC1CCC1 1460007703 JTAJTCCGGCLUGI-UHFFFAOYSA-N 248.414 3.973 30 20 BHED C=CC[C@H]1CC[C@@H](Nc2cccc(C(=O)O)c2)C1 1602851661 SQGBEIANNHCBAT-SMDDNHRTSA-N 245.322 3.542 30 20 BHED Cc1cc(Oc2cc(F)ccc2C)ncc1C#N 1655382684 NLWLTXSKSSHFLH-UHFFFAOYSA-N 242.253 3.502 30 20 BHED Cc1ccc(/C=N/C(=O)OC2CCCCC2)cc1 2511001 HIDGICDZUWRMJQ-LFIBNONCSA-N 245.322 3.883 30 20 BHED N#CCCOc1ccc(Cc2ccccc2)cc1 51356682 LJYHCNWJXXTZAR-UHFFFAOYSA-N 237.302 3.570 30 20 BHED Cc1ccc(CN(CCCC#N)C(C)C)s1 65161995 JFNNLUYQGZKOAR-UHFFFAOYSA-N 236.384 3.571 30 20 BHED C=C(C)CN(C)[C@@H](C)c1ccc(F)c(F)c1 73432230 SQODMXBXNFBXGQ-JTQLQIEISA-N 225.282 3.534 30 20 BHED C=C(CC)CN[C@@H](C)c1ccc(C)s1 85057893 JLZLEKHYTGOQSX-NSHDSACASA-N 209.358 3.673 30 20 BHED CCC(CC)CN(CC)CCC(C)(C)C#N 87595285 XYDREYPRGGYNRJ-UHFFFAOYSA-N 224.392 3.684 30 20 BHED C=CCC[C@H](N[C@H](C)CCOC)c1ccccc1 90580594 HJRGXUNIBDTEGF-ZBFHGGJFSA-N 247.382 3.709 30 20 BHED N#Cc1c(Cl)nsc1SC1CCCC1 92582031 UFCHQBXZNOECLG-UHFFFAOYSA-N 244.772 3.703 30 20 BHED C[C@@H](Nc1ccc(F)cc1C#N)c1ccsc1 113317689 XLWVXVHGCCQQLO-SECBINFHSA-N 246.310 3.932 30 20 BHED Cc1cc(OCCC(C)(C)C)ccc1C#N 133523679 BOBPDVXBTOJVQC-UHFFFAOYSA-N 217.312 3.682 30 20 BHED C=CCOc1cccc(-c2nc(C)cs2)c1 165333790 NCZAWGJJGCIYDX-UHFFFAOYSA-N 231.320 3.683 30 20 BHED CC#CCCCC(=O)NCCC1=CCCCCC1 186074264 JSNMTQLYGFLWGQ-UHFFFAOYSA-N 247.382 3.577 30 20 BHED C=CCCCN(C)[C@H](C)c1cccc(C#N)c1 187697291 YZNGIADSAOBFCM-CYBMUJFWSA-N 228.339 3.517 30 20 BHED CC(C)[C@H](C)SCCOc1cccc(C#N)c1 231192388 APJCNJVSSHYPJV-LBPRGKRZSA-N 249.379 3.715 30 20 BHED CC(C)[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 274661923 VQUGHLPMDUBNCV-BMFZPTHFSA-N 242.366 3.666 30 20 BHED C=CCCCCN[C@@H]1CCCc2ccc(O)cc21 311199333 JRTJBHIQATUQJR-MRXNPFEDSA-N 245.366 3.716 30 20 BHED C=CCC(C)(C)CN[C@@H]1CCc2ccccc21 379844290 HUBJMQQABDBYSM-OAHLLOKOSA-N 229.367 3.866 30 20 BHED CC[C@H](NCC(C)(C)CCC#N)C1CCCC1 382768015 JCZKCNGUPBSPEN-AWEZNQCLSA-N 236.403 3.875 30 20 BHED CCCCCCCCN[C@@H](C)c1csnn1 398239552 CKDISUZZIKZOJV-NSHDSACASA-N 241.404 3.549 30 20 BHED CSCCCSCC1(C#N)CCCC1 405157241 LGXMSHOYXVSTTQ-UHFFFAOYSA-N 229.414 3.557 30 20 BHED C=CCC[C@H](CCC)N[C@H]1CS[C@H](C)C1 414237210 WHMJLROMURZDQI-FRRDWIJNSA-N 227.417 3.605 30 20 BHED CCCc1ccccc1N[C@@H]1CC[C@H](C#N)C1 442867080 NRPJYDCTCBBVAL-GXTWGEPZSA-N 228.339 3.743 30 20 BHED C[C@H](CCC1CC1)NC1CCC(C)(C#N)CC1 449246088 AKOLXOFWMSKKSN-LRVUVFPRSA-N 234.387 3.627 30 20 BHED C=CCC1(CN[C@H](C)c2cc(C)on2)CCCC1 453341682 CJUUVGUMTFBWQG-CYBMUJFWSA-N 248.370 3.770 30 20 BHED CCCCSCc1ccc(C#N)cc1OC 500841003 OCMCYDVWYAEWQA-UHFFFAOYSA-N 235.352 3.600 30 20 BHED C=CCN(CCC)Cc1c(F)cccc1Cl 521192496 AQPPAIVVQQNIRE-UHFFFAOYSA-N 241.737 3.877 30 20 BHED C=C(CC)CN(C)CCCc1ccccc1 536933951 SVQSDXMNJYEEQQ-UHFFFAOYSA-N 217.356 3.517 30 20 BHED CC(C)(C#N)CCN1CCC[C@@H]1C1CCCCC1 537366355 OTPCCZVPVCIPMV-OAHLLOKOSA-N 248.414 3.971 30 20 BHED C=CC(C)(C)C(=O)N(CC)Cc1ccc(C)cc1 562636782 AFJDFUHVMMCSSU-UHFFFAOYSA-N 245.366 3.556 30 20 BHED N#CCCNc1ccc(NCC2CCCC2)cc1 591773899 XRFNQEPLNQQEQK-UHFFFAOYSA-N 243.354 3.614 30 20 BHED N#Cc1ccc(OCC2CC=CC2)c(Cl)c1 594881398 HSLXBCPSTIIDPM-UHFFFAOYSA-N 233.698 3.557 30 20 BHED N#C[C@H](SCc1ccc(Cl)cc1)C1CC1 601069226 KMTIGSRMUBBYBW-LBPRGKRZSA-N 237.755 3.875 30 20 BHED C[C@H]1CC(C)(C)CC[C@H]1NC[C@H](C)CCC#N 602572230 ZUBRHWLLAIZNMB-HZSPNIEDSA-N 236.403 3.731 30 20 BHED CC(C)(C)CCCSCC1(C#N)CC1 614802731 QMONEJPJSIRSQY-UHFFFAOYSA-N 211.374 3.850 30 20 BHED C=C(CN[C@@H]1CC=C(C)CC1)c1ccccc1 646131121 NQNJXRWJNCYNGQ-MRXNPFEDSA-N 227.351 3.788 30 20 BHED C=CCC[C@H](CCC)N[C@@H]1CCS[C@H]1C 647357998 LBXMMUJYZRFJDV-RWMBFGLXSA-N 227.417 3.605 30 20 BHED CCC(C=NNc1c(F)cccc1F)CC 735615690 VVAWALKHMNBYJW-UHFFFAOYSA-N 226.270 3.799 30 20 BHED CC(C)(C)[C@@H]1CCCC(=NNCC(F)F)CC1 746575860 LUHOWQUPHBQZLY-SNVBAGLBSA-N 246.345 3.824 30 20 BHED COc1ccc(NN=C(C)c2cccs2)cc1 750922010 MHUPCONAAPPJTF-UHFFFAOYSA-N 246.335 3.593 30 20 BHED C#CCN(C(=O)C=C(CC)CC)C1CCCCC1 759171909 OFXUPMPTMQPRKL-UHFFFAOYSA-N 247.382 3.527 30 20 BHED O=C1/C(=C\c2cccs2)Oc2cc(F)ccc21 773171703 KLBTZGXQYZXCMQ-KPKJPENVSA-N 246.262 3.503 30 20 BHED CCc1ccc(/C=C/C(=O)c2cscn2)s1 776193075 ONKAPZQQDLZFTG-AATRIKPKSA-N 249.360 3.663 30 20 BHED C[C@H]1CCCCC1=NNc1cc(Cl)ccn1 777906781 GGJDAGMDNBWQBP-VIFPVBQESA-N 237.734 3.713 30 20 BHED CC[C@H]1CCCCC1=NNc1ccc(F)cn1 779775927 KHUQUCKQKFBMMN-JTQLQIEISA-N 235.306 3.589 30 20 BHED CC[C@@H]1CCCC(=NNC2CCCCC2)C1 786043176 KCOTYQNMEDVQKW-GFCCVEGCSA-N 222.376 3.865 30 20 BHED C=CCCN(C)C(=O)c1ccc([C@H](C)CC)cc1 786224639 ZAXQPJZOCWLQGY-CYBMUJFWSA-N 245.366 3.848 30 20 BHED CCCC[C@H](CC)COC(=O)[C@@](C)(C#N)CC 796837048 MNKCLEWXOBGAHE-GXTWGEPZSA-N 239.359 3.686 30 20 BHED CC[C@H]1CCCCC1=NOC/C=C\Cl 811671354 DCKVLGMISDBRKH-SGOSKAQWSA-N 215.724 3.712 30 20 BHED CC(=NOC/C=C\Cl)c1ccc2c(c1)CCC2 811671410 FMMCEKZCWOUZOE-RXMSCADBSA-N 249.741 3.668 30 20 BHED C=CCCNC(=S)Nc1cccc(C(C)C)c1 849278450 YWSNCGPDARZFJJ-UHFFFAOYSA-N 248.395 3.673 30 20 BHED N#CC1(CCCCOc2ccccc2)CCC1 902682291 UPNNKJKEWXMNAS-UHFFFAOYSA-N 229.323 3.930 30 20 BHED C=CCSC1=Nc2ccccc2CS1 71806689 WRANSUAXBFGTAF-UHFFFAOYSA-N 221.350 3.840 30 20 BHED Cc1cc(F)ccc1NCCCC(C)(C)C#N 87597181 IPIQMABQXOXYLW-UHFFFAOYSA-N 234.318 3.876 30 20 BHED CC1CCC(N(C)CCCC(C)(C)C#N)CC1 87608553 JKYITKIAZRQSHW-UHFFFAOYSA-N 236.403 3.827 30 20 BHED C#CCCCCN[C@H](CC(C)C)c1ccccn1 90398738 CDNSGPNSOZVRKY-MRXNPFEDSA-N 244.382 3.562 30 20 BHED C[C@H](N[C@H]1CCCC1(C)C)c1ccc(C#N)cc1 94305388 NRVIGQRQDJQFCE-WFASDCNBSA-N 242.366 3.788 30 20 BHED C#CCCNc1ccccc1Cc1ccccc1 110923232 OVSSOUDJZAFQIY-UHFFFAOYSA-N 235.330 3.713 30 20 BHED C=CCC[C@@H](C)N[C@H](C)C1CCCCC1 126669114 KZVBZCBIVDQNAM-CHWSQXEVSA-N 209.377 3.900 30 20 BHED N#Cc1ccc(COc2ccccc2)c(Cl)c1 162968501 CFVCGZWLUOABHB-UHFFFAOYSA-N 243.693 3.791 30 20 BHED C=CCCNc1cccc(Oc2ccccn2)c1 172993982 NAVVCCMIXMDRIM-UHFFFAOYSA-N 240.306 3.862 30 20 BHED C=CCCCC(=O)Nc1ccsc1Cl 186957637 XMEXVOZXSDYDPO-UHFFFAOYSA-N 229.732 3.696 30 20 BHED CC1(C)CCC/C(=C\c2cc(C#N)cs2)C1=O 255025685 ZSXIAJFWEHYWNH-YRNVUSSQSA-N 245.347 3.782 30 20 BHED CC(C)C[C@H](NCCCC#N)c1cccs1 273176606 DCXUUDYFTMDGHC-LBPRGKRZSA-N 236.384 3.729 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccsc1 281461019 DUXOALNYEHRTDA-CMPLNLGQSA-N 209.358 3.753 30 20 BHED C[C@@H](CCC(C)(C)C)Nc1ncccc1C#N 301319190 DLPUPWOPRGUZBX-NSHDSACASA-N 231.343 3.580 30 20 BHED C=CC[C@@H](CC)Nc1nc(C(C)(C)C)ns1 310005444 GLOIPEXMBUMNTO-SECBINFHSA-N 239.388 3.602 30 20 BHED C=CCC(C)(C)CN[C@@H]1CCCC1(C)C 310571953 OFSCXSRPADVYBX-GFCCVEGCSA-N 209.377 3.757 30 20 BHED CCC[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 341759933 WOMHNRNWXVNYQI-BLLLJJGKSA-N 242.366 3.714 30 20 BHED C=CCCC1(c2nc([C@H]3CC3(C)C)no2)CC1 345908619 VNJXKYHMLPEGJR-SNVBAGLBSA-N 232.327 3.581 30 20 BHED C=CC[C@H](CC)Nc1nc(C)c(C#N)cc1Cl 360080697 AQAJDBHJYQEXQQ-NSHDSACASA-N 249.745 3.682 30 20 BHED C=CCC[C@@H](CC)NCCc1ccccc1 381304337 JJSDGABTXULCJI-OAHLLOKOSA-N 217.356 3.564 30 20 BHED CCCCCCCCN[C@@H]1C[C@@H](C)n2ccnc21 386159154 FDHYZMACUMTGJD-ZIAGYGMSSA-N 249.402 3.839 30 20 BHED CC#CCN(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 441333399 SJDKAMKVNTUFBT-SJORKVTESA-N 241.378 3.586 30 20 BHED C=CCC[C@@H](C)Nc1ccc2ccn(C)c2c1 443092584 JXMYVXNJCDXWJY-GFCCVEGCSA-N 228.339 3.945 30 20 BHED C=CCC[C@H](CCC)N[C@@H](C)[C@H](OC)C1CC1 449633229 TXPMZTOICMTYSR-QEJZJMRPSA-N 239.403 3.524 30 20 BHED C=CCC1(C(=O)N2CC[C@@H](CC)C2)CCCCC1 450085566 BGIJTCLXKJCHBR-CQSZACIVSA-N 249.398 3.772 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 451243977 DGZWAWXQJNSUAI-GBJTYRQASA-N 249.398 3.626 30 20 BHED C=C[C@@H](C)NC(=O)C[C@@H](CC)c1ccc(C)cc1 465102385 LHYOBDYAWNJRRO-ZIAGYGMSSA-N 245.366 3.569 30 20 BHED C[C@@H](C#N)CN(C)Cc1ccc(C2CCC2)cc1 507578939 BFGLJHZNRZXPKT-ZDUSSCGKSA-N 242.366 3.546 30 20 BHED CC[C@H](c1ccccc1)N(CC#N)CC(C)C 533063831 WQSGXWARCSOACG-OAHLLOKOSA-N 230.355 3.619 30 20 BHED C=C(C)CN[C@@H](CCC)c1ccc(F)cc1F 539325634 XRMNQWJYVCVJBK-AWEZNQCLSA-N 239.309 3.972 30 20 BHED CCC[C@@H](CN(CC)CCC#N)c1ccccc1 539406740 GYBPHJZSBMPHCG-INIZCTEOSA-N 244.382 3.806 30 20 BHED CCC[C@@H]1[C@@H](C)CCCN1CCC(C)(C)C#N 540667890 PCFQNURPHKMNLW-UONOGXRCSA-N 236.403 3.827 30 20 BHED O=C(/C=C\c1sccc1Cl)c1ccco1 588601078 FITBNYDKRLSRCX-ARJAWSKDSA-N 238.695 3.891 30 20 BHED C=CCCCN(C1CCC(C)CC1)C1CC1 605150012 DWTJYSRUQCPJFA-UHFFFAOYSA-N 221.388 3.996 30 20 BHED C=CCCCN1CC[C@H](C)[C@@H]2CCCC[C@H]21 605150910 BGSYDHLOFYNZDZ-SOUVJXGZSA-N 221.388 3.853 30 20 BHED CCC[C@@H](Cc1ccccc1)NCC(C)(C)C#N 613145923 QEEJAOVBJWXUPI-HNNXBMFYSA-N 244.382 3.537 30 20 BHED C=CCC1(NC(=O)c2ccsc2C)CCCC1 619110678 MVBSSOCOEYVUAC-UHFFFAOYSA-N 249.379 3.675 30 20 BHED C=CC[C@@H]1CCCC[C@H]1N[C@H](C)C1CC1 657530698 RFNYNZBCSOYULK-MRVWCRGKSA-N 207.361 3.509 30 20 BHED CC#CCCCC(=O)N[C@H](CC)C1CCCCC1 680997393 SMRZEWOICSQPAJ-OAHLLOKOSA-N 249.398 3.655 30 20 BHED CC[C@H](C)C[C@@H](C)N[C@H](C)CC(C)(C)C#N 695815116 KEHWDKVPLGWNAL-YNEHKIRRSA-N 224.392 3.729 30 20 BHED CC(=NNC1CCCC1)c1ccccc1Cl 727652802 PZIWIDAXDVMUAE-UHFFFAOYSA-N 236.746 3.596 30 20 BHED CCCNN=C(CC)c1ccc(Cl)s1 733203595 RLBXBRNPNYQNRF-UHFFFAOYSA-N 230.764 3.515 30 20 BHED C=C(Cl)CN1CC[C@H](Cc2ccccc2)[C@H]1C 747532187 VGLFFBCPIPQTMA-UKRRQHHQSA-N 249.785 3.692 30 20 BHED CCCCCCCCNC(=O)C[C@@H](C)SC 757162129 DCODGQJTWQZKBN-GFCCVEGCSA-N 245.432 3.605 30 20 BHED C=CC[C@H]1N(C(=O)/C=C/C=C/C)CCCC1(C)C 767218317 FQVJZCKKFCEFBY-YLPBVIOASA-N 247.382 3.712 30 20 BHED CC1=CCC[C@H](C)[C@@H]1C=NO[C@@H]1CCCCO1 773208718 NVPZVJGREZRYCW-BFHYXJOUSA-N 237.343 3.508 30 20 BHED CC[C@H]1CC[C@H](C)CC1=NNc1ncccc1F 794980734 NRSZZPGLMIPJBK-QWRGUYRKSA-N 249.333 3.835 30 20 BHED CCCC1CCC(=NNc2ncccc2F)CC1 794991379 XEMPCSFJIWNHDJ-UHFFFAOYSA-N 249.333 3.979 30 20 BHED C#C[C@@H](CC)NC[C@@H](CCC)c1ccccc1 809685717 MVTUBBRYGUOGTR-CVEARBPZSA-N 229.367 3.572 30 20 BHED CC(=NOC/C=C\Cl)c1ccc(Cl)cc1 811669448 PCHFMIWKUBITNM-KJXLZJQQSA-N 244.121 3.833 30 20 BHED CC1(c2ccccc2)CC(=NOCC2CC2)C1 814243387 SYFJREDLOBJEKP-UHFFFAOYSA-N 229.323 3.521 30 20 BHED C=CCN(C(=O)c1ccc(C2CC2)cc1)C(C)C 826072495 ZTHZDCSLJNGDTB-UHFFFAOYSA-N 243.350 3.601 30 20 BHED N#CC1(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CCC1 841897982 JPUYKMKXJWVVOV-RRFJBIMHSA-N 246.398 3.629 30 20 BHED C=C[C@H](C)ON=C(C)c1ccc(SC)cc1 844624871 OEZNDBSLPRPNCA-JTQLQIEISA-N 235.352 3.724 30 20 BHED CCCCCCC[C@H](C)CNC(=O)[C@@H]1C[C@@H]1C 917872978 SNJUXHKKUHXHDO-MELADBBJSA-N 239.403 3.755 30 20 BHED O=C1/C(=C\c2cccs2)Cc2c(F)cccc21 921264401 SOYNLDOTKDZDHV-CLFYSBASSA-N 244.290 3.710 30 20 BHED CSc1ccc(N[C@@H](C)CC(C)(C)C#N)cn1 926101080 ZNVGSUWZHOIPRN-JTQLQIEISA-N 249.383 3.544 30 20 BHED C=C[C@@H](CC)CC(=O)N(C1CCCC1)C1CC1 931923089 LJAIXJLRJCUFPJ-LBPRGKRZSA-N 235.371 3.522 30 20 BHED C=C(C)CCC(=O)Nc1c(C)cccc1CC 1120681285 HXHFAEKRQIZSDR-UHFFFAOYSA-N 231.339 3.852 30 20 BHED CC1=CC(=NOC(C)(C)C)CC(C)(C)C1 1319804115 YDZCPCQAHSZLIP-UHFFFAOYSA-N 209.333 3.924 30 20 BHED C=C(CC)C(=O)Nc1ccc(C)cc1Cl 1350793523 IGMYXPYDUZTVMZ-UHFFFAOYSA-N 223.703 3.553 30 20 BHED CC(C)C[C@@H](C)N[C@H](C)c1cccc(C#N)c1 37255935 ORWCYBCINBIRAI-CHWSQXEVSA-N 230.355 3.643 30 20 BHED CCN(c1cccc(F)c1C#N)C1CCCCC1 57796955 LBWKYNITPZCOSZ-UHFFFAOYSA-N 246.329 3.856 30 20 BHED CCCCCCNc1c(F)cc(C#N)cc1F 60320102 DGKQMFHMBGJVAS-UHFFFAOYSA-N 238.281 3.829 30 20 BHED Cc1ccc(N(C)CCC(C)(C)C#N)c(C)c1 87595497 BQEPCAQLOPFEIA-UHFFFAOYSA-N 230.355 3.680 30 20 BHED CCCCCCCNCc1nc(C)cs1 103405973 IOAOSHBXXCIRQG-UHFFFAOYSA-N 226.389 3.512 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 121042638 MVLSZLMJDSLRKG-UMVBOHGHSA-N 249.398 3.696 30 20 BHED C=C(C)CN[C@H](C)c1cccc(OC(F)F)c1 128481018 XZTIWICBKHFBQD-SNVBAGLBSA-N 241.281 3.515 30 20 BHED CC(C)(C#N)CCCN1CC[C@@H]2CCCC[C@@H]21 135534603 NOMNDAIXTBKBPJ-KBPBESRZSA-N 234.387 3.581 30 20 BHED C=CC[C@@H](C)N[C@@H](CC)c1ccccc1F 163181845 IGLMGZWBQFTWSG-RISCZKNCSA-N 221.319 3.831 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cc(C)ccc1OC 163333486 IIIHVFUXJKVAFX-STQMWFEESA-N 233.355 3.619 30 20 BHED C=C(C)[C@@H](NCC1CC1)c1ccc(F)c(F)c1 187375664 LFTFAOUEWVVYEF-CQSZACIVSA-N 237.293 3.582 30 20 BHED CCc1ccccc1CSCCCC#N 191023966 OCVBAXKXEGDNEB-UHFFFAOYSA-N 219.353 3.786 30 20 BHED C[C@H]1CCC[C@H](NCc2cc(C#N)cs2)CC1 191112730 ISWOUDPHIFDITE-AAEUAGOBSA-N 248.395 3.678 30 20 BHED N#Cc1ccccc1C(=O)/C=C/c1cccs1 194587799 IWOCDNWVYKQQBU-BQYQJAHWSA-N 239.299 3.516 30 20 BHED C=C(Cl)CN[C@@H]1CC[C@H](C)C[C@H]1CC 252732045 SULKSJVCQIRPBU-MVWJERBFSA-N 215.768 3.543 30 20 BHED C=CC[C@@H](CC)NCc1cccc2cc[nH]c12 281243812 FPLSAJIEYSQUJP-CQSZACIVSA-N 228.339 3.612 30 20 BHED Cc1nc(S[C@H](C#N)C2CCCCC2)[nH]c1C 292571711 FCGMRZPSUAKCDA-GFCCVEGCSA-N 249.383 3.591 30 20 BHED C=CCCCCCCN[C@@H]1C[C@@H](C)n2ccnc21 294158129 QOPFNABMISCCHD-ZIAGYGMSSA-N 247.386 3.615 30 20 BHED CC(C)C[C@H](C)CN[C@H](C)c1ccc(C#N)cc1 302447308 WZVPSVQDTPBDIV-UONOGXRCSA-N 244.382 3.891 30 20 BHED C[C@@H](C#N)S[C@@H](C)c1ccc(F)cc1 335955285 HFBNDXOAXDDPRI-IUCAKERBSA-N 209.289 3.532 30 20 BHED CCCC1(CNc2nc(C)ccc2C#N)CCC1 346826151 HOSDAMHBXQEWJF-UHFFFAOYSA-N 243.354 3.644 30 20 BHED CC1(C)CCC[C@H]1CNCc1cc(C#N)cs1 388487452 PWMSOMONZZEKEH-LBPRGKRZSA-N 248.395 3.536 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1cccc(OC)c1 393772979 VFYKKDBXFQKDPI-OCCSQVGLSA-N 233.355 3.701 30 20 BHED C=C(CC)CNC/C=C/c1ccc(F)c(F)c1 449733756 JPOBVUWLTJRKOF-SNAWJCMRSA-N 237.293 3.534 30 20 BHED C=CCCc1noc(C2CCCCCC2)n1 453251321 ZFRGPZYWMBSENO-UHFFFAOYSA-N 220.316 3.626 30 20 BHED C[C@H](CCNCC(C)(C)CC#N)c1ccccc1 459736321 USUPSFJVCUEBKH-CQSZACIVSA-N 244.382 3.710 30 20 BHED C=CCCCCCN(C)C(=O)[C@@H]1C[C@@]1(C)CC 466243876 GVULKLSIPUJGOG-DZGCQCFKSA-N 237.387 3.627 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 467998071 JQWCTSRNNZTLRJ-JLNYLFASSA-N 237.387 3.530 30 20 BHED C=CCC(C)(C)CNC(=O)c1cccc(C)c1C 489992125 XPGXULGZLVRCRT-UHFFFAOYSA-N 245.366 3.636 30 20 BHED C=CCCN(Cc1ccccc1)[C@H](C)C1CC1 524811624 FAEDAKSONJWZHB-CQSZACIVSA-N 229.367 3.863 30 20 BHED C=C(CC)CNc1c(F)ccc(OCC)c1F 552630928 HAKJNYAVGYOFAD-UHFFFAOYSA-N 241.281 3.742 30 20 BHED CC[C@@H](C)CCN[C@@H](C)c1cccc(C#N)c1 594714107 XTFRXEZDMSKOQK-OLZOCXBDSA-N 230.355 3.645 30 20 BHED N#C[C@@H](Sc1ccc2ccccc2n1)C1CC1 601070690 QGQYOGNGYUYXMR-CYBMUJFWSA-N 240.331 3.629 30 20 BHED N#C[C@@H](SCCCc1ccccc1)C1CC1 601077548 UUBOMWNKIKPNFX-CQSZACIVSA-N 231.364 3.655 30 20 BHED C=C(Cl)COC(=O)c1ccc(C(F)F)cc1 726666942 XVNZFAGZMMNKAQ-UHFFFAOYSA-N 246.640 3.534 30 20 BHED CC(C)=CCC/C(C)=C\C=NNCC(F)F 740617369 HAUULCVVPKUPRC-OCLNWSFISA-N 230.302 3.520 30 20 BHED CON=C1CCCSc2ccc(Cl)cc21 748251528 XKDYUFVWXUFCRE-UHFFFAOYSA-N 241.743 3.576 30 20 BHED CC(CCc1ccccc1F)=NOCC(C)C 749636522 OJQTVMGOVGIHTC-UHFFFAOYSA-N 237.318 3.807 30 20 BHED CCC(C)(C)C(=O)O[C@@H](C)c1cccc(C#N)c1 764612057 DXHOYBARCMYMGE-NSHDSACASA-N 245.322 3.599 30 20 BHED C=CC[C@H]1N(C(=O)C(C)=C(C)C)CCCC1(C)C 767230191 WNQIJWDYWSDMLT-CQSZACIVSA-N 249.398 3.936 30 20 BHED CC(CC1CCC1)=NN[C@@H]1CCCC1(C)C 782287004 IRBJYLZRKWHXLO-CYBMUJFWSA-N 222.376 3.721 30 20 BHED C=C(CC)COC(=O)CCCc1ccsc1 783265621 ZMWOSMYMWAKJMY-UHFFFAOYSA-N 238.352 3.580 30 20 BHED Cc1cccc(NN=C2CCC(C)(C)C2)c1 783773985 VIPKTXDRYKUOOA-UHFFFAOYSA-N 216.328 3.973 30 20 BHED C[C@@H]1CC/C(=C/C(=O)OCCCC(C)(C)C#N)C1 784071165 OCNUAVZXJZJFCE-YGYTWAPGSA-N 249.354 3.606 30 20 BHED C[C@H](NN=Cc1ccc([C@@H]2C[C@H]2C)o1)C(C)(C)C 793116828 UWXFMLMIQODYPQ-NTZNESFSSA-N 248.370 3.761 30 20 BHED CC1(C)CCC[C@@H]1OC(=O)C1(C#N)CCCCC1 799479114 JJGBQCPICDYARV-LBPRGKRZSA-N 249.354 3.582 30 20 BHED CC(C)CCCCCCN[C@H]1CC[C@@H](C#N)C1 799716797 YDXCPPJNALVHDL-CABCVRRESA-N 236.403 3.875 30 20 BHED C#C[C@H](CC)N[C@H]1CCC[C@H]1c1ccc(C)cc1 809686042 JRUBCNHDOSSENO-IKGGRYGDSA-N 241.378 3.633 30 20 BHED CC1(C)CC(=NOC2CCC2)c2ccccc21 812235006 HBIWTKXJDLNXFR-UHFFFAOYSA-N 229.323 3.641 30 20 BHED N#CCCCC(=O)Oc1ccc(C2CCC2)cc1 813085555 LGIHFMHBYVPJQY-UHFFFAOYSA-N 243.306 3.553 30 20 BHED C=CCCCCC[C@H](C)NCC1(CC)COC1 825079121 MBLGGIBAGCYYQS-AWEZNQCLSA-N 239.403 3.528 30 20 BHED C=CCCN[C@H](C)c1ccc(OC)cc1Cl 850502912 WLNGFJKUVVAAPE-SNVBAGLBSA-N 239.746 3.575 30 20 BHED C=CCCC[C@@H](C)NCc1nc(Cl)cs1 877137533 XGMJKPMRQDULIW-SECBINFHSA-N 244.791 3.631 30 20 BHED CCCCCCCCCC(=O)N1CC[C@H]1C 920465819 ZPUZMKOUGNICNM-CYBMUJFWSA-N 225.376 3.748 30 20 BHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCc2occc21 924645560 ZSULIQHKMSLDFH-WCQYABFASA-N 246.354 3.575 30 20 BHED C=CCCC(C)=NNc1ccc(C(C)(C)C)nn1 1321035084 OFDCJLPFPCVTGB-UHFFFAOYSA-N 246.358 3.528 30 20 BHED C=CCC(C)(C)c1nnc(Cc2cccs2)o1 1326972321 LYRMRMJYMFKLOP-UHFFFAOYSA-N 248.351 3.576 30 20 BHED CCCCCCCS[C@@H](C)c1nncn1C 1327135514 WKKJTSVLRYRYGG-NSHDSACASA-N 241.404 3.580 30 20 BHED C=C(C)CCC(=O)Nc1ccc(Cl)cc1C 1346417696 IVSIJEKLYKGZOT-UHFFFAOYSA-N 237.730 3.943 30 20 BHED C[C@@H](N(C)CCC1(C#N)CCCCC1)C1(C)CC1 1559588901 MIIPVEABYQTLAC-CQSZACIVSA-N 248.414 3.971 30 20 BHED C[C@@H]1CCC[C@H](CSc2ccc(C#N)cn2)C1 1640846435 DVNFHCFUDAMBKJ-NEPJUHHUSA-N 246.379 3.872 30 20 BHED CC(C)(C)CNc1c(C#N)cnc2ccccc12 40494119 PBVSCYFHOJRNNJ-UHFFFAOYSA-N 239.322 3.564 30 20 BHED C[C@@H]1C[C@@H](C)CN(c2cccc(Cl)c2C#N)C1 48727849 QFHCGSKOMXTDMO-GHMZBOCLSA-N 248.757 3.694 30 20 BHED C=CCCCN[C@@H](CC)c1cccs1 70592019 VNIQRNZPPRDKPM-NSHDSACASA-N 209.358 3.755 30 20 BHED CC[C@H]1CCCN(c2cccc(F)c2C#N)CC1 79054147 WJYALDQITWHJQR-LBPRGKRZSA-N 246.329 3.714 30 20 BHED SCc1ccc(Cl)c(Br)c1 137306659 XBIKNJDKTWNVNB-UHFFFAOYSA-N 237.549 3.532 30 20 BHED CCCCCCC[S@](=O)C1CCCC1 153496984 AAIUJZWZDUJLCF-CQSZACIVSA-N 216.390 3.648 30 20 BHED C=C(C)CN(CC)Cc1cnc(C(C)C)s1 158990635 QYZCWGPLBNHJJM-UHFFFAOYSA-N 238.400 3.665 30 20 BHED C=C[C@@H](C)NC1CCC2(CCCC2)CC1 161373219 BAMAFMRFYOKYID-GFCCVEGCSA-N 207.361 3.654 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H](C)C1CCCCC1 188447190 VBROJZOGMRBTCS-SWLSCSKDSA-N 237.387 3.674 30 20 BHED N#Cc1cccc(NC/C=C\c2ccccc2)c1 220540386 ZDMNUJQUYNSSNT-UITAMQMPSA-N 234.302 3.684 30 20 BHED COc1cccc(CSCCC(C)(C)C#N)c1 266211690 ANPZJBROWCKDDU-UHFFFAOYSA-N 249.379 3.868 30 20 BHED C=CCCC(=O)N1CCCC[C@H]1c1ccccc1 273974607 XXLMSULFOKPDOF-HNNXBMFYSA-N 243.350 3.706 30 20 BHED C[C@H](NC[C@@H]1CCC[C@H]1C)c1ccc(C#N)cc1 300308277 LTHADFNVNPUBJJ-WWGRRREGSA-N 242.366 3.645 30 20 BHED C=CCCC[C@H](C)Nc1ncc(C)s1 302885869 MPYCOYGELHVEGH-VIFPVBQESA-N 210.346 3.608 30 20 BHED C=CCC[C@H](CCC)NC[C@H]1CCCCS1 310037739 VKWWZOGVLPSJQT-UONOGXRCSA-N 241.444 3.997 30 20 BHED N#Cc1ccccc1SCCC(F)(F)F 342537062 ZGAVTCOYEXJGGP-UHFFFAOYSA-N 231.242 3.603 30 20 BHED C=C(CC)CNc1ccccc1-n1nccc1C 342550353 AZVATPYNCHUVDO-UHFFFAOYSA-N 241.338 3.559 30 20 BHED C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)CC 352899302 CEQKRMGFYNVQCT-CQSZACIVSA-N 249.402 3.641 30 20 BHED N#CC1(CCN[C@H]2CCC[C@@H]3C[C@H]23)CCCCC1 411818504 KTVJPQWRVLKTBU-ILXRZTDVSA-N 246.398 3.629 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc(OC)cc1Cl 424281338 ILPFZHNTQBVKCO-ZJUUUORDSA-N 239.746 3.574 30 20 BHED CC1(C)CCCCN(Cc2cc(C#N)cs2)C1 438348118 JLASTCFYDCKDSR-UHFFFAOYSA-N 248.395 3.632 30 20 BHED CC#CCCN(Cc1ccccc1)[C@@H](C)CC 462322368 ZZPOLOQBCQGIDU-HNNXBMFYSA-N 229.367 3.701 30 20 BHED C=CCCC(=O)NC(CC(C)C)CC(C)C 504613640 LKRHJBLNWTYPMZ-UHFFFAOYSA-N 225.376 3.530 30 20 BHED CC(C)[C@H]1CCC[C@@H](Nc2ncccc2C#N)C1 505582841 VWZLKQQVQLQLIS-GXTWGEPZSA-N 243.354 3.580 30 20 BHED C=C(C)COc1ccccc1C(F)(F)F 514725147 NTDMWMPGIAUNJE-UHFFFAOYSA-N 216.202 3.660 30 20 BHED C=CCN(C(=O)[C@H](C)CCC(C)(C)C)C1CC1 541594477 ZZVARTOUFWURCE-GFCCVEGCSA-N 237.387 3.626 30 20 BHED C=CCN(Cc1ccc(OCCC)cc1)C1CC1 541761310 YWVHVORRIZEITJ-UHFFFAOYSA-N 245.366 3.626 30 20 BHED C=CCSCCN[C@@H](C)c1cccc(C)c1C 543755209 PCZJBPOTJCPYRG-AWEZNQCLSA-N 249.423 3.873 30 20 BHED C=CCCCCCN(C)c1snc(C)c1C#N 553078368 GUSXMLRJYWMFHF-UHFFFAOYSA-N 249.383 3.506 30 20 BHED C=CCOc1ccc(CN[C@H]2CC[C@H]2CC)cc1 558255986 QAFXKCVXTMDGSE-ZBFHGGJFSA-N 245.366 3.530 30 20 BHED C=CCCCCSCC(=O)C(C)(C)C 579555066 QJISERKIRFTGKY-UHFFFAOYSA-N 214.374 3.691 30 20 BHED C=C[C@@](C)(CC)c1nc(-c2cccc(F)c2)no1 582146798 JVSSYCYKABTCGH-AWEZNQCLSA-N 246.285 3.729 30 20 BHED CC(C)=CCS[C@@H](C#N)c1ccccc1 582312140 LEKSRXIZDIRGIX-ZDUSSCGKSA-N 217.337 3.951 30 20 BHED CCc1ccc(NC[C@@H](C)CCC#N)cc1 602485511 UKRGPVGPXNXKRI-LBPRGKRZSA-N 216.328 3.601 30 20 BHED CC(C)(C#N)CCN1CC(C)(C)c2ccccc21 611463145 ZUMMSGBZBXIGCB-UHFFFAOYSA-N 242.366 3.724 30 20 BHED CON=C(CC(C)(C)C)c1ccc(F)cc1 734298763 KVRNAYBKEFHFHW-UHFFFAOYSA-N 223.291 3.612 30 20 BHED CON=C1C[C@@H](C)C[C@@H](c2ccccc2)C1 749859758 YIAYJQYTLVWZFQ-WCQYABFASA-N 217.312 3.593 30 20 BHED CC(=NNc1ccc(F)cc1C)c1ccc(C)o1 750939303 ZLFHWPFPTPOHOX-UHFFFAOYSA-N 246.285 3.872 30 20 BHED CCCCCCCS[C@H]1CCO[C@H]1C 754724235 RFPMSTZGTLIXIF-RYUDHWBXSA-N 216.390 3.867 30 20 BHED C[C@H]1CCCC(=NNC2CCCCC2)[C@@H]1C 786042903 COISNNFUBUXMLM-NWDGAFQWSA-N 222.376 3.721 30 20 BHED C=CCC(C)(C)COC(=O)CC1CC(F)(F)C1 835463748 XQGJDDCOMYPWAT-UHFFFAOYSA-N 246.297 3.567 30 20 BHED CCON=Cc1ccc(-c2ccc(F)cc2)s1 839411192 CXEFPVWUBVEOKD-UHFFFAOYSA-N 249.310 3.925 30 20 BHED CCCON=C1CC[C@H](c2ccccc2)C1 842551956 VNPJEOGZASOTLU-ZDUSSCGKSA-N 217.312 3.737 30 20 BHED C#CCCCCN[C@@H]1CCCC[C@H]1CC=C 850444767 LKPZKIVVZIYVGK-HUUCEWRRSA-N 219.372 3.514 30 20 BHED CC(C)ON=C[C@H]1CCC[C@H](C(F)(F)F)C1 853353632 IAKNVINRBWQBSR-UWVGGRQHSA-N 237.265 3.766 30 20 BHED CCCCCCCN(C)CCC(F)(F)F 1116209356 MAOLDTHAMSFQTO-UHFFFAOYSA-N 225.298 3.841 30 20 BHED C=C[C@H](COC)NCC[C@@H](C)CCC=C(C)C 1321090797 SVFYCSQESAMJGK-LSDHHAIUSA-N 239.403 3.550 30 20 BHED C=CCC[C@@H](CCC)NCCCC(F)F 1333781629 HZQDKZBEZLRKGY-LLVKDONJSA-N 219.319 3.756 30 20 BHED C=C(C)CCC(=O)N(C)Cc1ccc(CC)cc1 1353323786 OBCNDOLNPIGRQS-UHFFFAOYSA-N 245.366 3.564 30 20 BHED C=C(C)CCC(=O)Nc1ccccc1NC(C)C 1353739065 HZDUFPBVCUNGDO-UHFFFAOYSA-N 246.354 3.802 30 20 BHED C=C(C)CCC(=O)Nc1ncc(C(C)C)s1 1358005652 AVNSOWLBBWBRCA-UHFFFAOYSA-N 238.356 3.561 30 20 BHED CC[C@H](C#N)S[C@@H]1CCOc2ccccc21 1559385480 NAZXYLRTTWNJBA-ZWNOBZJWSA-N 233.336 3.546 30 20 BHED C=CCN(C)Cc1ccc(Cl)cc1Cl 82187437 CEMZEVFDTPEYIG-UHFFFAOYSA-N 230.138 3.611 30 20 BHED C[C@@H]1CCC[C@H](N(C)CCCC(C)(C)C#N)C1 87608565 ANSUHDDKIZBYGJ-KGLIPLIRSA-N 236.403 3.827 30 20 BHED C=CCCCCCN(C)Cc1scnc1C 93498065 UJVGYMMYQCOMQE-UHFFFAOYSA-N 238.400 3.630 30 20 BHED N#CCCCCN1CCC(c2ccccc2)CC1 102397345 YFNVGAVQQWGALD-UHFFFAOYSA-N 242.366 3.560 30 20 BHED CCCCCCCC(=O)NCc1ccc(C)cc1 106407919 IIIWGSGCJMIGHU-UHFFFAOYSA-N 247.382 3.972 30 20 BHED CC(C)CCN(CCCC#N)C1CCCC1 110364337 HIWNBFUOKLHZHG-UHFFFAOYSA-N 222.376 3.581 30 20 BHED CCc1ccc2nc(-c3cccc(C#N)c3)[nH]c2c1 124934432 QUAXAAKHBZNMCG-UHFFFAOYSA-N 247.301 3.664 30 20 BHED C=C[C@@H](CC(=O)N(C)CCCC)c1ccccc1 129309337 FZOWNPRSAKJTML-AWEZNQCLSA-N 245.366 3.605 30 20 BHED CC(C)(C)CCCNc1ccc(C#N)cc1 143486461 JJWRNECFSOOMER-UHFFFAOYSA-N 216.328 3.796 30 20 BHED CCCCCCCN(C)Cc1nccs1 175106734 AOTCVVGDRQYYMA-UHFFFAOYSA-N 226.389 3.545 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1ccc(C)cc1C 182597598 VLJNBSYGIAMDBS-CQSZACIVSA-N 245.366 3.778 30 20 BHED C#CCCCC(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 192176493 ZCJKBRVJPZAAOK-HUUCEWRRSA-N 249.398 3.511 30 20 BHED CC(C)N(CCCC#N)[C@@H](C)c1ccccc1 292387189 ZOINFSNYCWESLF-AWEZNQCLSA-N 230.355 3.762 30 20 BHED C=CCCCNc1ccc(Cl)c(C#N)c1 308881644 QOGHEULBZGKGSV-UHFFFAOYSA-N 220.703 3.590 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1csc(C)n1 336739236 LBSCGFMHHGSMSM-GHMZBOCLSA-N 238.400 3.847 30 20 BHED C=C(C)CN(C)Cc1cscc1C(F)(F)F 356441827 SIXGILQCBZWRIR-UHFFFAOYSA-N 249.301 3.775 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccc(F)cc1F 393745323 JBLLHRLIBURUJX-PWSUYJOCSA-N 239.309 3.970 30 20 BHED C=CCCC[C@@H](C)N[C@@H]1CCc2c(O)cccc21 398191028 RLRHEVHZIGKWAR-IUODEOHRSA-N 245.366 3.714 30 20 BHED C=CCCC[C@H](C)N[C@H]1CCc2cccc(O)c21 398193832 SKMHOYNYXMPTFN-JSGCOSHPSA-N 245.366 3.714 30 20 BHED N#CCc1ccc(CN2CCCCCCC2)cc1 398993751 NCAPNQONOPUPPE-UHFFFAOYSA-N 242.366 3.519 30 20 BHED C=C(C)CN[C@@H](C)c1ccc(C2CC2)cc1 419335015 HBBRIDRNRPKALI-LBPRGKRZSA-N 215.340 3.791 30 20 BHED C=CCC[C@@H](C)N[C@@H]1CCOc2c(F)cccc21 437097141 ZUZBBBSPBMIAKR-BXUZGUMPSA-N 249.329 3.594 30 20 BHED CC[C@@H]1CCC[C@@H]1CNCC(C)(C)CCC#N 449432302 GSUWKZNVNDKDOQ-ZIAGYGMSSA-N 236.403 3.732 30 20 BHED C=CCC1(CN[C@@H](C)COC(C)C)CCCC1 449603542 GWSLKGACVQTRGK-AWEZNQCLSA-N 239.403 3.526 30 20 BHED CC(C)[C@H]1CCC[C@H]1Nc1cccc(CC#N)c1 449703311 UJUOBNUEAYKNOA-HZPDHXFCSA-N 242.366 3.989 30 20 BHED C=C(C)C[C@@H](C)C(=O)Nc1ccc2ccoc2c1 467906921 XKMSVTXQWIAYJH-LLVKDONJSA-N 243.306 3.974 30 20 BHED C=CCCC(=O)N(CC(C)(C)C)CC(C)(C)C 538249180 NZNSQLKXLCQJMV-UHFFFAOYSA-N 239.403 3.873 30 20 BHED C=CCCN1CC(C)(C)[C@@H]1c1cccs1 558178853 AMNKUVABINGXPO-LBPRGKRZSA-N 221.369 3.707 30 20 BHED C=CCN(CC=C)[C@H](C)c1ccc(F)cc1 560692385 AECYNYOABVQRSR-GFCCVEGCSA-N 219.303 3.561 30 20 BHED C=CCCc1ccccc1NC(=O)C[C@@H]1C[C@@H]1C 564506677 RJZQADPHUYHIPU-JSGCOSHPSA-N 243.350 3.790 30 20 BHED C=CCCCC[C@H](C)NC1C[C@H](C)O[C@@H](C)C1 582955766 HZGDYFQGBKSYQL-IHRRRGAJSA-N 239.403 3.667 30 20 BHED COc1cc(NC[C@@H](C)CCC#N)c(C)cc1C 602644837 OMUHJDGOKSLJTC-NSHDSACASA-N 246.354 3.664 30 20 BHED C[C@H](CC(C)(C)C#N)Nc1ccc(F)c(F)c1 695815919 MHBUTUIXWWXQLT-SECBINFHSA-N 238.281 3.705 30 20 BHED CCCCCCCCCC(=O)NC1CCC1 712318844 WYBIZYGPUCUJFX-UHFFFAOYSA-N 225.376 3.796 30 20 BHED C(=NNC1CCCC1)c1cccc2ccccc12 727652160 FGLIWCHIQIUWOX-UHFFFAOYSA-N 238.334 3.706 30 20 BHED CCC(=NNc1cc(C)ccc1C)[C@@H]1CCOC1 741838717 VAKIPLKATCZWAD-CYBMUJFWSA-N 246.354 3.518 30 20 BHED CCCCNN=Cc1c(C)cc(Cl)cc1C 756878734 DXXLJGJTHCETIA-UHFFFAOYSA-N 238.762 3.680 30 20 BHED N#Cc1ccccc1SC/C(Cl)=C/Cl 763261869 IJFODFIZSFHGKV-UITAMQMPSA-N 244.146 3.969 30 20 BHED C#CCCCN(C)[C@H](CC)Cc1ccc(C)cc1 766904415 ZMBGEMBSNGIMQL-QGZVFWFLSA-N 243.394 3.661 30 20 BHED CCCCNN=Cc1ccccc1OCCCC 767371457 ZHYWLTLVHIXIKQ-UHFFFAOYSA-N 248.370 3.589 30 20 BHED CC(=NNc1c(C)cccc1F)c1occc1C 769828395 SZTOHKWRYOURFU-UHFFFAOYSA-N 246.285 3.872 30 20 BHED CC1=CCC[C@@H](C)[C@H]1C=NNc1ccnc(F)c1 781134197 VRNDNDBXGNNRII-YPMHNXCESA-N 247.317 3.611 30 20 BHED CC(C)(C)CCNN=C/C=C\c1ccccc1 782903495 WHQVHUJYIFGTNQ-VKYSFVOOSA-N 230.355 3.711 30 20 BHED C=CCN(C(=O)[C@H](CC)c1ccccc1)C(C)C 791128437 ZFLNZSCZWPFNOU-OAHLLOKOSA-N 245.366 3.603 30 20 BHED CC[C@@H]1CCC1=NNc1ccc(F)cc1F 807942903 FMFALESRJWDDNK-MRVPVSSYSA-N 224.254 3.553 30 20 BHED C[C@@H]1CC(=NN[C@@H](C)c2ccncc2)C[C@H](C)C1 819817029 UMNRZYXCOUSREI-XQQFMLRXSA-N 245.370 3.544 30 20 BHED COc1ccc(C)cc1N[C@H](C)CC(C)(C)C#N 829180572 VNSSQPVVOMUQFV-GFCCVEGCSA-N 246.354 3.744 30 20 BHED CSCC1CCC(=NOC/C=C\Cl)CC1 834978695 IHDMDHKKLJDYAA-RAICGKKJSA-N 247.791 3.665 30 20 BHED CC[C@@H](C)CON=C(C)CCCc1cccnc1 834981279 LNIDOWOEFOKZHC-CYBMUJFWSA-N 248.370 3.843 30 20 BHED CC(C)ON=C1CCC[C@H]1c1ccccc1 835001165 VFSFCZDIVLMOJL-ZDUSSCGKSA-N 217.312 3.735 30 20 BHED C=C(CC)CNC(=S)Nc1ccc(C)cc1C 840826576 OLUTXQSSDCEPPH-UHFFFAOYSA-N 248.395 3.556 30 20 BHED C[C@@H]1CCCCN1N=C[C@@H]1C[C@H]1c1ccccc1 853379076 FTFZKWVPRGFUHA-KBMXLJTQSA-N 242.366 3.650 30 20 BHED CC1=CC(=NNc2ccc(Cl)cn2)CCC1 853437140 BYIMUIWFXQUONZ-UHFFFAOYSA-N 235.718 3.633 30 20 BHED C=C1CC(c2noc([C@H](C)c3ccc(C)o3)n2)C1 896882405 KIIRJPPOBPMHGZ-SNVBAGLBSA-N 244.294 3.556 30 20 BHED CCCCCCCCCSc1nc[nH]n1 915790999 VLQJFWISDPEUPQ-UHFFFAOYSA-N 227.377 3.647 30 20 BHED C=CCN(Cc1ncccc1C)c1ccccc1 1320793061 OJPMXWLJQGANHN-UHFFFAOYSA-N 238.334 3.583 30 20 BHED N#CCCCS[C@@H]1CCc2c(F)cccc21 1326247423 ARQGEAZYSTXMCY-CYBMUJFWSA-N 235.327 3.850 30 20 BHED CCCCSCc1ccc(C#N)cc1 35151687 DCSMSQZWESNOEF-UHFFFAOYSA-N 205.326 3.592 30 20 BHED CC[C@H](CC#N)NC(CC(C)C)CC(C)C 54182736 LLKAOYLRTQALDT-CYBMUJFWSA-N 224.392 3.729 30 20 BHED CCCCCCC[C@H](C)NC[C@@H]1CCCO1 59089977 NNQQSVBGVAWJJP-KBPBESRZSA-N 227.392 3.504 30 20 BHED CC[C@@H](Cc1ccc(C)cc1)N(CC)CCC#N 75885696 KPBHUBUZTJSENB-INIZCTEOSA-N 244.382 3.552 30 20 BHED CCCCCCCOc1ccccc1C=O 100020932 DZPPLOSMFKYAFT-UHFFFAOYSA-N 220.312 3.848 30 20 BHED C#CCCCCC(=O)NCC1CCCCCCC1 119663989 LLWSOZBYVKVTPI-UHFFFAOYSA-N 249.398 3.657 30 20 BHED C=C[C@@H](Cc1nc(C(C)C)no1)c1ccccc1 130581904 XLOBQEVFNBYZQW-LBPRGKRZSA-N 242.322 3.705 30 20 BHED C=CCC[C@H](C)N[C@@H](C)c1cccc(OC)c1 135712886 CNJRBSFOURBXTA-STQMWFEESA-N 233.355 3.701 30 20 BHED C=CC[C@@H](C)NC1CCC(C(F)(F)F)CC1 165222741 PUJVXMIYAFWOET-KPPDAEKUSA-N 235.293 3.662 30 20 BHED CC[C@@H](C)CN(CC)Cc1ccc(C#N)cc1C 165494496 DRFNECZRAUESHZ-CYBMUJFWSA-N 244.382 3.735 30 20 BHED C=CC[C@H](C)NC(=O)C[C@@H](C)CCCCC 173537532 QGRUMBGDZUANCS-STQMWFEESA-N 225.376 3.674 30 20 BHED C#CCCCN[C@@H](CC(C)C)c1cccs1 178058667 TZZGRQHIDBGKOR-ZDUSSCGKSA-N 235.396 3.838 30 20 BHED CC(C)CC[C@H]1CCC[C@H]1NCCCCC#N 178642544 HIBLLOCTAGPJTG-HUUCEWRRSA-N 236.403 3.875 30 20 BHED CCCCCNc1ccccc1O[C@H](C)C#N 182579454 CWPHYCURYFLDMU-GFCCVEGCSA-N 232.327 3.580 30 20 BHED CCCCCCCC(=O)OCC1(C#N)CCC1 183880815 MMFCWYSKYFVHAE-UHFFFAOYSA-N 237.343 3.584 30 20 BHED CC#CCCCC(=O)N[C@H]1CCC[C@@H]1CCCC 185449711 YFJVPUBBGMELMO-GJZGRUSLSA-N 249.398 3.655 30 20 BHED C#CCCCCN[C@H](CCC)c1ccccc1 222285576 XXZPZMMFGGPCCI-MRXNPFEDSA-N 229.367 3.921 30 20 BHED N#Cc1ccccc1/C=C\C(=O)c1ccsc1 255175820 FSZNMARJJJLNGA-WAYWQWQTSA-N 239.299 3.516 30 20 BHED CC[C@H](N[C@@H](CCC#N)c1ccccc1)C1CC1 271525721 QDDOOLVVTVZLRL-HOTGVXAUSA-N 242.366 3.810 30 20 BHED Cc1cc(C#N)cc(NCc2ccccc2F)c1 308113779 SOPFPSXXHQEYRU-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=CCCCCN[C@@H]1CCC[C@H]1C1CC1 309007939 QOCBROMPTCAMGX-UONOGXRCSA-N 207.361 3.511 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1cc(C)c(C)o1 310021654 NPSCFORUDMCJAF-DGCLKSJQSA-N 221.344 3.902 30 20 BHED C[C@@H](S[C@@H]1CCCOC1)c1ccc(C#N)cc1 334188165 GCRQZXFVCOTPCF-BXUZGUMPSA-N 247.363 3.531 30 20 BHED C=CCCC(=O)Nc1cccc(COC(C)C)c1 338661106 DNPQMEKXERICQZ-UHFFFAOYSA-N 247.338 3.516 30 20 BHED C=CCCSCc1ccc(CC#N)cc1 339091262 KPSBKDGKWOLSEE-UHFFFAOYSA-N 217.337 3.562 30 20 BHED CC[C@H]1CCCC[C@@H]1c1noc(CCCC#N)n1 341173308 ONYOFZANGSOEFA-RYUDHWBXSA-N 247.342 3.600 30 20 BHED CC[C@@H](CC#N)NCc1ccc(C2CCC2)cc1 352913384 HWZPECJCBPJMEH-INIZCTEOSA-N 242.366 3.736 30 20 BHED C=CCCCCCN(C)[C@@H](C)c1ncc(C)o1 356970844 ATQCNXGGPBEVCC-ZDUSSCGKSA-N 236.359 3.722 30 20 BHED C=C(C)CSCCSC(C)(C)C 379324440 YRBHHLDVDVBNNC-UHFFFAOYSA-N 204.404 3.827 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H](C1CC1)C(F)(F)F 381444234 FLBPQAPFJUMNFS-ATZCPNFKSA-N 235.293 3.518 30 20 BHED C=CC[C@H](C)NCc1ccc(C(F)(F)F)s1 381469279 MBMWZLQAAOXCRR-QMMMGPOBSA-N 249.301 3.821 30 20 BHED C=CCC(C)(C)CN[C@@H](C)Cc1cccs1 393479766 IBKGMXKFKWUROY-LBPRGKRZSA-N 237.412 3.871 30 20 BHED C=CCC[C@H](CC)NC[C@H](C)C(F)(F)F 393623479 OAQXECVAGRMGOO-UWVGGRQHSA-N 223.282 3.519 30 20 BHED Cc1cccc2c1CC[C@H]2NCC(C)(C)CC#N 414166311 NGVXBIAYQARYSH-OAHLLOKOSA-N 242.366 3.512 30 20 BHED CC(C)(C)[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@@H](C#N)C1 414306895 RPYNZENARVUSHQ-TUVASFSCSA-N 248.414 3.873 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H](C)CCC=C(C)C 452540605 JUONBJLDLQMJGP-DZGCQCFKSA-N 237.387 3.840 30 20 BHED CC[C@@]1(C)CCCN(c2ccc(F)cc2C#N)C1 462925472 JSPFANXXSVEVFE-HNNXBMFYSA-N 246.329 3.714 30 20 BHED CC/C=C/CCOc1cc(C#N)ccc1C 466500036 SAYYWJIPZSBPCX-SNAWJCMRSA-N 215.296 3.602 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 467919999 QVISJXORYPSAMO-QVHKTLOISA-N 237.387 3.530 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@H]1CC12CCCCC2 488811445 COLRONSXHRXEJD-ZIAGYGMSSA-N 247.382 3.524 30 20 BHED CCCC[C@@H](CC)CN(CCC#N)CC1CC1 546934541 ATLIBPPFGREBMH-CQSZACIVSA-N 236.403 3.828 30 20 BHED C=CCCSCCc1ccccc1F 559156644 KEZDDTLJYZBGAM-UHFFFAOYSA-N 210.317 3.678 30 20 BHED N#CCC1(CSCCC2CCC2)CC1 596422288 LMVISIJDGPEEEJ-UHFFFAOYSA-N 209.358 3.604 30 20 BHED C[C@@H]1CCN(CCCCC#N)[C@@H]2CCCC[C@@H]12 609047506 RDXIOAJKKMDYHY-QLFBSQMISA-N 234.387 3.581 30 20 BHED CCCCCCCN[C@@H](C)Cc1ccc(O)cc1 703759603 ILKRYJXERZZQHZ-AWEZNQCLSA-N 249.398 3.883 30 20 BHED Cc1cc(C=NNc2ccccc2)ccc1F 729141277 WDUHFSPUOALQCX-UHFFFAOYSA-N 228.270 3.580 30 20 BHED CCCCCCOc1cccc(C=NOC)c1 747046689 GECIEYVQIYTUSE-UHFFFAOYSA-N 235.327 3.626 30 20 BHED Cc1cc(F)ccc1NN=C1CCC[C@H]1C 750938339 FVNBHBSLWQBFIT-SECBINFHSA-N 220.291 3.722 30 20 BHED CC(C)=CCCC(C)=NN[C@@H]1C[C@H]2CC[C@H]1C2 774594016 WMBVPYXMHWFUJU-SOUVJXGZSA-N 234.387 3.887 30 20 BHED CC(=NOCC1CC1)c1ccc(OC(C)C)cc1 814244350 OTJYBDYQXYOOBW-UHFFFAOYSA-N 247.338 3.624 30 20 BHED C1=C([C@H]2CCCCC2=NNC2CC2)CCCC1 814903031 NUCBCAPCMSHPCR-CQSZACIVSA-N 232.371 3.785 30 20 BHED C#CCSc1ncc(-c2ccc(Cl)cc2)o1 827641971 XBKMVBVCBIWDDT-UHFFFAOYSA-N 249.722 3.720 30 20 BHED CCCC(=NNc1ccncn1)C1CCCCC1 835001313 GKUVGHAKGBJMIE-UHFFFAOYSA-N 246.358 3.625 30 20 BHED C=C[C@@H](C)ON=C(C)[C@@H]1C[C@H]1c1cccs1 844621152 UULSUPZZZSPDOA-ADEWGFFLSA-N 235.352 3.819 30 20 BHED CCC(CC)NN=Cc1ccccc1C(C)C 848405830 APZXLRFLOHKVSD-UHFFFAOYSA-N 232.371 3.922 30 20 BHED CC(=NOCc1ccccc1)c1ccc(C)o1 854314578 KGENIACALCDAGK-UHFFFAOYSA-N 229.279 3.529 30 20 BHED CC[C@@H]1CCCC[C@H]1/N=C/c1ccccc1O 915113221 RNESNISSDLAQGB-XWIFYCKRSA-N 231.339 3.780 30 20 BHED CCC(C[C@@H](C)CC)=NNc1cc(C)nc(C)n1 915970584 IAWVNATWNAEMLT-JTQLQIEISA-N 248.374 3.708 30 20 BHED C=CCCCN[C@@H](C)c1ccc(C(C)(C)O)cc1 926321762 BTMIITQIKMOEEZ-ZDUSSCGKSA-N 247.382 3.531 30 20 BHED C[C@@H]1CCC[C@@H](CCN2CCC[C@@](C)(C#N)C2)C1 1192452556 LQVGHUFJGDVJMS-PMPSAXMXSA-N 248.414 3.828 30 20 BHED Cc1cc(C)nc(NN=C2CCCCCCC2)n1 7891102 ZFLMDAYTGKDODX-UHFFFAOYSA-N 246.358 3.606 30 20 BHED CC[C@@H](CC#N)N[C@H](C)c1ccccc1Cl 49508703 UYZCZTNRBCUDMS-MNOVXSKESA-N 236.746 3.683 30 20 BHED CCC(CC)(CC)NCc1ccc(C#N)cc1F 86642670 UIFCYTZQRPGFLB-UHFFFAOYSA-N 248.345 3.756 30 20 BHED Cc1cc([C@H](C)NCC2(CC#N)CC2)c(C)s1 88249751 JRPIZPJOQIYUAZ-NSHDSACASA-N 248.395 3.709 30 20 BHED C[C@@H]1CCC[C@H](N(C)c2ccc(F)cc2C#N)C1 111036226 HWYSRLMNZIEMSM-RISCZKNCSA-N 246.329 3.712 30 20 BHED CCCCCCCCC(=O)N[C@@H](C#N)CCC 112204229 UAWNRGYMPRTAQB-CYBMUJFWSA-N 238.375 3.545 30 20 BHED CCCCCCC[C@@H](C)NCC1(O)CCCC1 114850467 NGKXXIDNWDKEMJ-CQSZACIVSA-N 241.419 3.630 30 20 BHED Cc1ccnc(NC2CCCCCCC2)c1C#N 131093985 HOLPUCOQRHITKC-UHFFFAOYSA-N 243.354 3.787 30 20 BHED CC[C@H](CC#N)N[C@H](CC)Cc1ccc(C)cc1 133197915 FWVVODGIBGMZHP-HZPDHXFCSA-N 244.382 3.598 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc(C)c(C)c1 161663452 QPORJWQZOOMUED-UONOGXRCSA-N 217.356 3.919 30 20 BHED Cc1cc(C#N)ccc1CN[C@@H]1CCCC[C@H]1C 165178667 XVXRUPHKBQOMDR-MLGOLLRUSA-N 242.366 3.535 30 20 BHED Cc1ccc([C@@H](C)NCCCCC#N)cc1C 178644043 SHRASGZEFQZXLA-CQSZACIVSA-N 230.355 3.648 30 20 BHED CC1(C)C[C@@H](NCCCCC#N)c2ccccc21 178647513 HIFMOEIAMLGVLL-OAHLLOKOSA-N 242.366 3.692 30 20 BHED CC#CCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1CC 185840067 DXAGUMCYRNFAOT-LSDHHAIUSA-N 249.398 3.607 30 20 BHED Cc1ccccc1/C=C\C(=O)c1cccc(C#N)c1 206976814 MNLVLWYRZWCTLU-KTKRTIGZSA-N 247.297 3.763 30 20 BHED C#CCCCN[C@H]1CCCC[C@@H]1C(C)(C)C 224307593 OYEZOVSDZWTDPC-KBPBESRZSA-N 221.388 3.594 30 20 BHED C[C@H](NC1CCCCC1)c1ccc(C#N)c(F)c1 271974443 XMXXWTPLYFHNBD-NSHDSACASA-N 246.329 3.681 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1cccs1 281446865 DBIRJDMIHUKYCV-QWRGUYRKSA-N 209.358 3.753 30 20 BHED C=CCC[C@H](N[C@H](C)C1CC1)c1ccco1 285559180 HBVVBDIYJPQADB-YPMHNXCESA-N 219.328 3.675 30 20 BHED C=CCNC1(c2cccc(C)c2)CCCC1 309712708 RHNRRSDFAPHNFV-UHFFFAOYSA-N 215.340 3.540 30 20 BHED C=CC[C@H](C)[C@H](C)NC[C@H]1CCC(F)(F)C1 309721780 BZLKVZZBWPTSIX-SRVKXCTJSA-N 231.330 3.612 30 20 BHED CCCC[C@@H](C)N(C)c1cccc(F)c1C#N 310237280 ILGVCBSFJLVSID-LLVKDONJSA-N 234.318 3.712 30 20 BHED CC[C@@]1(C)CCCN(Cc2ccc(C#N)cc2)C1 353691715 UOJHIIJWMUVCBP-INIZCTEOSA-N 242.366 3.570 30 20 BHED C=CCC[C@H](C)NC[C@H]1CCCCC1(F)F 390563421 MYVRFHJRQCIBFF-NWDGAFQWSA-N 231.330 3.756 30 20 BHED CC(C)[C@H](N[C@H](C)CCC#N)c1ccc(F)cc1 411687175 FONATXKCMWOUBS-DOMZBBRYSA-N 248.345 3.805 30 20 BHED CCC(C)(C)C(=O)CSc1ccccc1C#N 412999627 MVGMEJCMBYNLDE-UHFFFAOYSA-N 247.363 3.656 30 20 BHED Cc1cccc([C@H](C)NCC(C)(C)CC#N)c1C 414176001 ZYTJVAGVAWOQBO-AWEZNQCLSA-N 244.382 3.894 30 20 BHED CC(C)(C)C[S@](=O)CCCCC(C)(C)C#N 414238700 IAAWSUVPZZQXCO-MRXNPFEDSA-N 243.416 3.501 30 20 BHED C=CC[C@H](Cc1ccccc1)N[C@@H](C)C1CC1 414290576 ABVXJTFMTDGFRU-XJKSGUPXSA-N 229.367 3.562 30 20 BHED C=C(C)CN[C@H](CC(F)F)c1ccccc1 420989761 YVGFSXIDUUGVBL-GFCCVEGCSA-N 225.282 3.549 30 20 BHED C=C(CC)CN[C@@H]1CCCOc2cc(F)ccc21 453345630 FKPCADSPFINHAK-CQSZACIVSA-N 249.329 3.595 30 20 BHED C=CC(C)(C)CNC(=O)Nc1cc(C)ccc1C 454129123 DVAOWSXGOZVPGX-UHFFFAOYSA-N 246.354 3.637 30 20 BHED C=CCC[C@@H](C)Nc1ccc(CN(C)C)c(C)c1 459783382 ZTNUJJNUYFLTPW-CQSZACIVSA-N 246.398 3.823 30 20 BHED CC#CCCN1CCC[C@H]1/C=C\c1ccccc1 462334680 VCEDKHHPBGSZKR-QOHRORDFSA-N 239.362 3.578 30 20 BHED C=CCCN(C)C/C=C/c1ccc(Cl)cc1 467371032 SHKCGHXXTBIURV-AATRIKPKSA-N 235.758 3.861 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C[C@H](C)C(C)(C)C 488879404 LWXPNEMZUPNYGU-QWHCGFSZSA-N 237.387 3.626 30 20 BHED C=C(C)CCc1noc([C@@H](C)c2cccs2)n1 508593014 DAIHMGQJFJVMTR-JTQLQIEISA-N 248.351 3.792 30 20 BHED C[C@H](CC1CCCCC1)CN(C)[C@H](C)CC#N 544606407 RNSNDRQYHMFLIS-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED O=C(/C=C\c1cc(Cl)cs1)c1ccncc1 588601544 VRKFVEYYERQYDU-UPHRSURJSA-N 249.722 3.693 30 20 BHED C[C@H](CCC#N)CNc1cccc(Cl)c1 602488704 XQXPKTDCIREOSD-SNVBAGLBSA-N 222.719 3.692 30 20 BHED C=C(CC)CN1CCS[C@H](c2ccccc2)C1 678624697 LKCPQWOQHQXAEE-HNNXBMFYSA-N 247.407 3.743 30 20 BHED C[C@H](CC(C)(C)C#N)N[C@H](C)c1ccccc1 695790203 HYAFUZUSXCMFTP-CHWSQXEVSA-N 230.355 3.666 30 20 BHED c1ccc2c(CON=C3CCC3)cccc2c1 735490509 ZYKCAEIWYZJQGS-UHFFFAOYSA-N 225.291 3.896 30 20 BHED C=C(Cl)CSCc1cccc(COC)c1 746599423 WUHXUVVEQPVADT-UHFFFAOYSA-N 242.771 3.819 30 20 BHED C=CCCC(CC)=NNc1ccc(OC)cc1 750922186 OHXIXTBXUGGKFC-UHFFFAOYSA-N 232.327 3.839 30 20 BHED CC(=NNc1cc(C)cc(C)c1)c1ccoc1 755886972 RMTQRVKFORSEKZ-UHFFFAOYSA-N 228.295 3.733 30 20 BHED CCC(=NOCC(F)F)c1ccc(CC)cc1 758907511 WGEUZRNBKBXNCC-UHFFFAOYSA-N 241.281 3.645 30 20 BHED C=C[C@@H](CC(=O)O[C@@H](C)CC)c1ccccc1 758913149 IJFXTRKXJGSURI-STQMWFEESA-N 232.323 3.688 30 20 BHED CCc1ccccc1NN=Cc1[nH]c(C)cc1C 760244363 WIEXOFBBUTVVSY-UHFFFAOYSA-N 241.338 3.640 30 20 BHED C#CCCCOC(=O)C(C)(C)C1CCCCC1 767043965 WQIXHOHRKKJJAJ-UHFFFAOYSA-N 236.355 3.550 30 20 BHED C=CCN(Cc1nccc2ccccc12)C(C)C 768548086 WELBIIDZWKGXER-UHFFFAOYSA-N 240.350 3.631 30 20 BHED CC(C)(C)c1ccc(NN=Cc2cc[nH]c2)cc1 779825253 QGGRBDOBHRVCBI-UHFFFAOYSA-N 241.338 3.758 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C(C)=C(/C)CC 780034886 ZQHXKDNYDJYKCM-NPRUJURCSA-N 223.360 3.594 30 20 BHED CC[C@@H]1CCC1=NN[C@@H]1CCCCC1(C)C 807985498 PYDILQJPKODRBE-DGCLKSJQSA-N 222.376 3.721 30 20 BHED CCCCNN=C1CC[C@@H](Cc2ccccc2)C1 814805198 BJLLDPVRXULQNJ-HNNXBMFYSA-N 244.382 3.775 30 20 BHED CCc1nc(S[C@H](C)CCC#N)sc1C 845325826 FCVPGVNIQXVDIA-MRVPVSSYSA-N 240.397 3.798 30 20 BHED C=C1CCC(C(=O)N(CC2CC2)C2CCC2)CC1 890348485 GNNYAJSOAAQTED-UHFFFAOYSA-N 247.382 3.524 30 20 BHED C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CC(C)C 931280714 QQDYLYZINJNTCU-ZIAGYGMSSA-N 237.387 3.626 30 20 BHED C=CC(C)(C)c1nnc(-c2ccc(CC)cc2)o1 1261573551 XNCQOYIDUGQVON-UHFFFAOYSA-N 242.322 3.763 30 20 BHED CCCCNN=C(C)Cc1ccccc1Cl 1318813511 AZWGOBIQIKYVLO-UHFFFAOYSA-N 238.762 3.648 30 20 BHED CC(C)CC[C@H](C)NCc1cc(C#N)ccc1F 70186168 BFZQQUKSAGSGQP-LBPRGKRZSA-N 248.345 3.612 30 20 BHED CC[C@H]1CCC[C@@H](NCc2cccc(C#N)c2)C1 83640194 FQVXAWDRGZQDIP-XJKSGUPXSA-N 242.366 3.617 30 20 BHED C[C@@H](NCC1(CC#N)CC1)c1ccccc1Cl 88249755 WMXYUDQGJAHGTB-LLVKDONJSA-N 248.757 3.684 30 20 BHED C=CCC[C@H](C)NCc1cscc1C 132027962 IFMZDRSAPWZTTI-NSHDSACASA-N 209.358 3.501 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cccc(OC(F)F)c1 132676763 VNRUGJHIGVUVOU-NXEZZACHSA-N 241.281 3.513 30 20 BHED CN(CCCCC#N)CCCCc1ccccc1 195234995 HHHLCAHMSJUWII-UHFFFAOYSA-N 244.382 3.635 30 20 BHED C#CCCCN[C@H](C)c1cc2c(s1)CCCC2 224304793 UBOOQLHGLNAYRA-GFCCVEGCSA-N 247.407 3.691 30 20 BHED Cc1cc(C)c(C#N)c(N[C@H]2CC[C@H](C)CC2)n1 252962417 PCFAYYLUTKWUPS-MJHDQNEOSA-N 243.354 3.561 30 20 BHED Cc1ccc(F)c(/C=C\C(=O)c2ccco2)c1 255697473 PHNMHEMFUNSEDH-ALCCZGGFSA-N 230.238 3.623 30 20 BHED C=CCCCSCc1c(CC)noc1C 268220085 WJIFHJSUNYWIOU-UHFFFAOYSA-N 225.357 3.745 30 20 BHED C=C(C)CCNc1ccc([C@H]2CCOC2)cc1 297731364 NPSPMNVHKWVJKH-AWEZNQCLSA-N 231.339 3.569 30 20 BHED O=CC1(C/C=C/Cl)CCCCCC1 306348387 HDQPSZPEWZGNGS-WEVVVXLNSA-N 200.709 3.669 30 20 BHED C[C@H]1CC[C@H](C)N1CCCCC(C)(C)C#N 336671612 ZQKFWOXWAADXHO-STQMWFEESA-N 222.376 3.579 30 20 BHED Cc1ccsc1CN(C)c1ccc(C#N)cc1 337574181 GIDNYFYDSXAJHK-UHFFFAOYSA-N 242.347 3.565 30 20 BHED C=CCS[C@H]1CCc2ccc(F)cc21 349090046 VBEXWQOLVWTFCS-LBPRGKRZSA-N 208.301 3.732 30 20 BHED CCN(CCC#N)Cc1ccc(CC(C)C)cc1 349839722 MJAVQRRBCFAYAE-UHFFFAOYSA-N 244.382 3.621 30 20 BHED C=CCN(Cc1ccccc1OC(C)C)C1CC1 357551633 KGQDMJDWXDOAHR-UHFFFAOYSA-N 245.366 3.624 30 20 BHED C=C[C@@H](C)NC[C@@H](C)c1cccc(Cl)c1 382354713 GBAFZFZVEAHASD-GHMZBOCLSA-N 223.747 3.608 30 20 BHED CN(CCCCC#N)[C@H]1CCC[C@@H]1C(C)(C)C 419321969 GQCPFPCMMRVXSK-KBPBESRZSA-N 236.403 3.827 30 20 BHED CC[C@H](F)CSCc1cc(C#N)ccc1F 442550130 UTVPOIWVZHRDAU-NSHDSACASA-N 241.306 3.679 30 20 BHED CC(C)(C)C1CC(Nc2ccc(CC#N)cc2)C1 459493443 YFUYVUBYLSOKRL-UHFFFAOYSA-N 242.366 3.989 30 20 BHED C=CCC(CC=C)C(=O)NCC1(CCC)CCC1 468230163 KJTGEMUUELMVQU-UHFFFAOYSA-N 249.398 3.841 30 20 BHED C=CCCC1(C(=O)Nc2ccc(F)c(C)c2)CC1 475609564 DBOODTLGTFZAJZ-UHFFFAOYSA-N 247.313 3.819 30 20 BHED C=C(C)CN1CCCC[C@@H]1Cc1ccccc1 524042281 AWOLSUSIGSRUBD-MRXNPFEDSA-N 229.367 3.660 30 20 BHED C=C(CC)CN(CC)[C@H](C)c1cccc(O)c1 538002792 SIRXQIVVENJUED-CYBMUJFWSA-N 233.355 3.741 30 20 BHED C=C(C)COCCN[C@@H](CC)C1CCCCC1 540158431 XJBFCJHDVWQMDY-HNNXBMFYSA-N 239.403 3.528 30 20 BHED C=CCC(C)(C)c1noc(C(C)(C)C2CC2)n1 563306680 LCGHLTIDPVXSLR-UHFFFAOYSA-N 234.343 3.611 30 20 BHED CC1(C)CC[C@@H](Sc2cccnc2C#N)C1 565217492 SKGUZNXYFDUJPJ-SNVBAGLBSA-N 232.352 3.624 30 20 BHED CC1=CC[C@H](Nc2cccc(CC#N)c2)CC1 565462206 YYIDWWXPNWCHJL-AWEZNQCLSA-N 226.323 3.663 30 20 BHED C=CCCCCNC(=O)[C@@H]1CCC(C)=C(C)C1 571168645 ZFCZOXMLSVYHHF-CQSZACIVSA-N 235.371 3.595 30 20 BHED C[C@@H](S[C@H](C#N)C1CC1)c1ccc(F)cc1 601077271 ZBTYYMWYRRXQHF-NOZJJQNGSA-N 235.327 3.922 30 20 BHED Cc1ccc(CNCC(C)(C)CCC#N)c(F)c1 601125784 UXUKFAFTJSWXSU-UHFFFAOYSA-N 248.345 3.554 30 20 BHED C[C@H]1CN(C[C@H](C)CCC#N)[C@H]1c1ccccc1 602483617 NCBDXGNCWLPTQS-IJEWVQPXSA-N 242.366 3.619 30 20 BHED C=CCN(C(=O)CC1CCCCC1)C(C)(C)C 622943358 ZQCSBLFZKJBREM-UHFFFAOYSA-N 237.387 3.770 30 20 BHED C=CCC(C)(C)CNC(=O)C(CC)(CC)CC 647121402 JOAZNJZGGRUSJO-UHFFFAOYSA-N 239.403 3.921 30 20 BHED CCSCCSc1ccc(C#N)cc1F 741858691 HBAPNCISFDAHDD-UHFFFAOYSA-N 241.356 3.543 30 20 BHED Cc1cc(C)c(C=NNc2cccc(Cl)c2)[nH]1 760224477 BTJPFMIVQCFZJN-UHFFFAOYSA-N 247.729 3.731 30 20 BHED C#CCCCCN[C@@H]1C[C@H](C)c2c(C)cccc21 773033450 AESZBIQXQNVYMG-GOEBONIOSA-N 241.378 3.936 30 20 BHED C#CC[C@H](N[C@@H](C)[C@H](C)CC=C)c1ccccc1 773114662 JLADBSOLCFRBKQ-VYDXJSESSA-N 241.378 3.941 30 20 BHED C#CC[C@@H](N[C@@H](C)c1ccoc1)c1ccccc1 773117860 XNUDEMSYWALXNR-XJKSGUPXSA-N 239.318 3.695 30 20 BHED C1CC(=NN[C@@H]2C[C@H]3CC[C@H]2C3)C[C@H](C2CC2)C1 774595589 DRVJEDACFXCADA-ZGMNHVEMSA-N 246.398 3.721 30 20 BHED CC(=NNc1nc2ccccc2cc1C)C(C)C 776785106 CZQNPEAZVPSFIP-UHFFFAOYSA-N 241.338 3.987 30 20 BHED CC1(C)CCCCC1=NOCCC(F)(F)F 777456378 XRYAASHCHQWPIF-UHFFFAOYSA-N 237.265 3.912 30 20 BHED CC/C(C)=C(/C)C(=O)O[C@H](C#N)C1CCCCC1 780216770 SKJUZDNAIPBTCC-XMXAVACDSA-N 249.354 3.748 30 20 BHED Cc1cccc(C)c1C=NN[C@H]1CCCC1(C)C 782300906 MWIXWIVWFJDPPA-HNNXBMFYSA-N 244.382 3.806 30 20 BHED Cc1cc(C=NNCCC(C)(C)C)c(C)s1 782902529 CLUNHMJJQGBHSL-UHFFFAOYSA-N 238.400 3.725 30 20 BHED COc1cccc(NN=C[C@@H]2CCCC[C@@H]2C)c1 783816376 OQAPXBVEGNOIGE-STQMWFEESA-N 246.354 3.919 30 20 BHED C1CCC(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)CC1 786042245 NMQMRPWPJDVUEK-UNQGMJICSA-N 246.398 3.721 30 20 BHED C/C=C(/CC)C(=O)O[C@@H](C)c1cccc(C#N)c1 789368397 ZBWVXZPEDLZDHN-MJXQBXOISA-N 243.306 3.519 30 20 BHED CCC[C@@H](C)C(CC)=NNc1cccc(F)n1 795007415 YTKFLCDCPIGNJH-SNVBAGLBSA-N 237.322 3.835 30 20 BHED CC1(C)CCC(=NNc2cccc(F)n2)CC1 795007651 KWYMPVPMINXHTQ-UHFFFAOYSA-N 235.306 3.589 30 20 BHED CC(Cc1cccc(F)c1)=NOC/C=C\Cl 811672039 OIUIQDKGZLXJJF-PAIKAKGKSA-N 241.693 3.513 30 20 BHED C=CCC(C)(C)c1nc([C@H](C)CCC)no1 813887532 KGHHVSDFYZPOOB-SNVBAGLBSA-N 222.332 3.827 30 20 BHED FC(F)(F)C1CCC(=NOCC2CC2)CC1 814244558 ZTZKREHUZIWGFY-UHFFFAOYSA-N 235.249 3.522 30 20 BHED CC(=NOCCC1CC1)c1ccccc1C 814246132 UCNCWUXMRFPVCN-UHFFFAOYSA-N 217.312 3.536 30 20 BHED Cl/C=C\CON=C1CC(c2ccccc2)C1 814933846 CGPIGOOZSQHQCJ-BCSTUJSPSA-N 235.714 3.689 30 20 BHED C=C[C@H](CC)CC(=O)N(C)c1ccccc1C 826886728 XJNPKQRIXKGJOJ-CYBMUJFWSA-N 231.339 3.560 30 20 BHED CC(C)(CC#N)CN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 839163429 MBOCVDXTUNJBJK-RBSFLKMASA-N 248.414 3.875 30 20 BHED CC(CCCCC#N)=NNc1cccc(F)c1 841619978 DUXVVTKQVKXSNH-UHFFFAOYSA-N 233.290 3.697 30 20 BHED CCCON=C(C)c1coc2ccccc12 842554109 NMNZWBONTNIORS-UHFFFAOYSA-N 217.268 3.583 30 20 BHED C[C@@H]1CCCCN1N=C1CCC2(CC1)CC2 853380423 UANUVHWYSGLBOH-GFCCVEGCSA-N 220.360 3.571 30 20 BHED C=CCN(C(=O)[C@@H](C)c1ccccc1C)C(C)C 931925090 LLLCVXLYMVDAAJ-AWEZNQCLSA-N 245.366 3.522 30 20 BHED C=CC(C)(C)CC(=O)N1CC[C@H]2CCCC[C@@H]2C1 1262012589 AHPQVHCTKHVPFI-ZIAGYGMSSA-N 249.398 3.627 30 20 BHED Cc1cccc(N(C)Cc2ccccc2C#N)c1 49986553 OJAQBLOBYHTNST-UHFFFAOYSA-N 236.318 3.503 30 20 BHED C[C@H](c1ccccc1F)N(C)CCC(C)(C)C#N 87595577 JCBKXOKCTWLMBA-GFCCVEGCSA-N 248.345 3.758 30 20 BHED C[C@@H](N[C@@H](CCC#N)c1ccccc1)C1CCC1 90665758 WTBRHROGAPSVGP-CJNGLKHVSA-N 242.366 3.810 30 20 BHED N#Cc1c(F)cccc1Oc1cc(F)ccc1F 112750493 FEHSVOATSCVOQL-UHFFFAOYSA-N 249.191 3.768 30 20 BHED CC[C@@H](Cc1ccccc1)N(CC)CCCC#N 120614430 SFMMNJXJIKXVSP-INIZCTEOSA-N 244.382 3.633 30 20 BHED C[C@H](CC#N)Sc1ccccc1NCC1CC1 127933929 YDHZUBFETXGXEQ-LLVKDONJSA-N 246.379 3.903 30 20 BHED CCc1c[nH]c(S[C@@H](C#N)C2CCCCC2)n1 129375963 ZIETZEBNEMPXLU-LBPRGKRZSA-N 249.383 3.537 30 20 BHED C=CCCOCCN[C@@H](C)c1cc(C)ccc1C 155647741 XSZGZFABRNLPAD-HNNXBMFYSA-N 247.382 3.547 30 20 BHED C#CCCCCNC(=O)C(C)(C)CCCCC 156066495 PRUFBEJREDWLPL-UHFFFAOYSA-N 237.387 3.513 30 20 BHED CC(C)(CCC#N)CNC/C=C/c1ccccc1 174384596 TVXAHBBUASFPTO-UXBLZVDNSA-N 242.366 3.619 30 20 BHED C=CCCCC(=O)N1CCC[C@@H](C)[C@H]1CCC 176047190 FLRIUABTKRCMQC-ZIAGYGMSSA-N 237.387 3.770 30 20 BHED C=CCSCc1ncc(Cl)cc1Cl 180387685 SXICSGNIXIDISY-UHFFFAOYSA-N 234.151 3.808 30 20 BHED C=CCCCCCNc1ccc2c(c1)COC2 195451489 DSCAGKFKNYUQNH-UHFFFAOYSA-N 231.339 3.875 30 20 BHED CC(C)CCSCCOc1cccc(C#N)c1 195541154 SKCOCSONFLQLTL-UHFFFAOYSA-N 249.379 3.716 30 20 BHED N#Cc1ccccc1OC/C=C\c1ccccc1 201920883 XTRHLABYOSOQLY-TWGQIWQCSA-N 235.286 3.650 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCC[C@@H](C)[C@@H]1C 228607822 QPSIVVSFIONPJB-ZOBORPQBSA-N 209.377 3.755 30 20 BHED CSc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1 298613872 UEGBYGGVOZFKSF-NWDGAFQWSA-N 248.395 3.751 30 20 BHED N#Cc1ccc(NC[C@@H]2CCc3ccccc32)cc1 301276540 SDODNDZAUUFOSL-HNNXBMFYSA-N 248.329 3.700 30 20 BHED C=CC[C@@H](C)[C@H](C)NC1CC(C(F)(F)F)C1 309726470 DFPUBKUURCHBFU-MFQSTILNSA-N 235.293 3.518 30 20 BHED C[C@H]1CCN(CC(C)(C)CCC#N)CC12CCC2 360466633 NQBPUUYNTAJNMS-AWEZNQCLSA-N 248.414 3.828 30 20 BHED C=CCCCCCCNCc1cccc(O)c1 380184763 YXLGJHYXSGDIMI-UHFFFAOYSA-N 233.355 3.618 30 20 BHED CCCCCNc1nc(C)c(C#N)cc1Cl 381082828 RVCUTOZKNWPOTH-UHFFFAOYSA-N 237.734 3.517 30 20 BHED C=CCC[C@@H](CCC)NC[C@H]1CC12CC2 417337215 LBCLEOOCPUQOOL-CHWSQXEVSA-N 207.361 3.511 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@H]1CCCC1(C)C 424858210 XZIFTKHTCXOSLE-GFCCVEGCSA-N 237.387 3.531 30 20 BHED C=CC[C@H]1N(CCCCC#N)CCCC1(C)C 444779965 MCXRCXGITFYXSS-CQSZACIVSA-N 234.387 3.747 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H](CC)CCCC 466535985 KPSZOFHVIOYKRG-STQMWFEESA-N 225.376 3.674 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 467855084 MJPURLJRZPOESK-WZYWGQKZSA-N 249.398 3.530 30 20 BHED CC[C@@]1(C)CCN([C@H](C)c2ccc(C#N)cc2)C1 468138305 MHZJAXJMRPTYLV-CJNGLKHVSA-N 242.366 3.741 30 20 BHED C=C(C)CN(C)Cc1ccc(Cl)cc1C 468519925 XQKIUBQBJKIDFW-UHFFFAOYSA-N 223.747 3.656 30 20 BHED Cc1cc(CN[C@@H]2CCCC2(C)C)ccc1C#N 489023240 AWDCYSWOWYWGBL-OAHLLOKOSA-N 242.366 3.535 30 20 BHED C=CCC(C)(C)c1noc(C23CCC(CC2)C3)n1 551145384 XYUZNHXQQGIJBP-UHFFFAOYSA-N 246.354 3.755 30 20 BHED C=CCCC[C@H](C)NC(=O)CC[C@@H](C)CC 552149913 OWEVXJBIEHESJO-STQMWFEESA-N 225.376 3.674 30 20 BHED C=CCOc1ccccc1CN[C@@H]1CC[C@H]1CC 554361133 RDDGRSSCEXDZBU-UKRRQHHQSA-N 245.366 3.530 30 20 BHED N#Cc1ccccc1SCC1CC=CC1 594888827 BUONRPGWWXWHQF-UHFFFAOYSA-N 215.321 3.617 30 20 BHED C=C1CCN(C(=O)C[C@H](C)CCC=C(C)C)CC1 648770485 JHEJCSRJTBZVTF-OAHLLOKOSA-N 249.398 3.938 30 20 BHED CC(=NNC1CCCC1)c1cc(C)cc(C)c1 730435102 ZYJCOUNXMBSIDI-UHFFFAOYSA-N 230.355 3.560 30 20 BHED C=CCOC(=O)CCCCCc1cccs1 731526794 CYIPTFYCUZMIOA-UHFFFAOYSA-N 238.352 3.580 30 20 BHED CC(=NNc1ccccn1)c1cccc(C)c1C 734295122 RLVJCYNIWQRDDC-UHFFFAOYSA-N 239.322 3.535 30 20 BHED C/C(=C/C(=O)Nc1sccc1C#N)C(C)(C)C 744352504 KOFMEGUAUQVLFC-CLFYSBASSA-N 248.351 3.551 30 20 BHED Cc1cccc(F)c1NN=C1CCC[C@H]1C 769839148 AADUGQQGBZVZEK-SECBINFHSA-N 220.291 3.722 30 20 BHED C=C(C)CN(C)C(=O)[C@@H](CC)CCCCC 778122396 HABXOHVSDFVKSX-ZDUSSCGKSA-N 225.376 3.627 30 20 BHED CCCCCCCCCC(=O)N1CC(F)(F)C1 782853221 BTAIUNDSVMDDEP-UHFFFAOYSA-N 247.329 3.605 30 20 BHED C#CCC1(C(=O)Oc2ccccc2)CCCCC1 788424478 YHAIKXIERXMQFM-UHFFFAOYSA-N 242.318 3.566 30 20 BHED C=CC[C@@H](CC)Nc1ncnc2sc(C)cc12 799323157 SNENQSIXMDLAAO-SNVBAGLBSA-N 247.367 3.766 30 20 BHED CCCCCC(C)=NNCC1CCCC1 808007269 XOXVSZUKWGRJDT-UHFFFAOYSA-N 210.365 3.722 30 20 BHED c1ccc(C[C@H]2CCCC2=NOC2CCC2)cc1 812236833 WDZVATCHKKQQBH-CQSZACIVSA-N 243.350 3.954 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CCCCCCCC1 836926000 YISRDEWDTCNPOY-HNNXBMFYSA-N 237.387 3.772 30 20 BHED C[C@H]1CCCC(=NOCc2ccccc2)C1 839420006 ZTPHUTOXQRSQID-LBPRGKRZSA-N 217.312 3.769 30 20 BHED C=C[C@@H](C)ON=C1CC(c2ccc(F)cc2)C1 844621247 FCKGRRGXUVCLAF-RWANSRKNSA-N 233.286 3.650 30 20 BHED Fc1cccc(F)c1C=NOCc1ccccc1 853913037 BDRXGBSVRJUHRM-UHFFFAOYSA-N 247.244 3.516 30 20 BHED Cc1cccc(NN=Cc2ccccc2C)c1 916255355 UXLCJHDZCXROKU-UHFFFAOYSA-N 224.307 3.749 30 20 BHED Cc1ccc(/C=C\c2cc(C#N)ccn2)c(C)c1 1116855009 UDZOFNNBKDCWKL-WAYWQWQTSA-N 234.302 3.741 30 20 BHED CC(C)[C@H]1CCCN([C@H](C#N)c2ccccc2)C1 1642751073 NIWHEQOZKQANJE-JKSUJKDBSA-N 242.366 3.619 30 20 BHED O=CC1([C@H](F)c2cccc3ccccc23)CC1 2332241139 PWHQWMSTBQQYRY-CQSZACIVSA-N 228.266 3.830 30 20 BHED CC(C)[C@H](C)Nc1cccc(OCCCC#N)c1 37777364 TZIUXOXSFZLZKC-ZDUSSCGKSA-N 246.354 3.826 30 20 BHED CCN(Cc1ccc(C(C)C)cc1)C[C@@H](C)C#N 42323861 NHJIOCSUPKUCJC-AWEZNQCLSA-N 244.382 3.792 30 20 BHED C=CCSc1nc2ccccc2n1C(F)F 79084567 IVKDJDXMKZCIBV-UHFFFAOYSA-N 240.278 3.710 30 20 BHED Cc1ccc(Cl)cc1NCC1(CC#N)CC1 83853465 ATXZAAPSHGKYNT-UHFFFAOYSA-N 234.730 3.754 30 20 BHED C#CCCCCNC(=O)C[C@@H](CC)CCCC 156043199 HEDJNFYMNYMRCS-AWEZNQCLSA-N 237.387 3.513 30 20 BHED C[C@@H]1CCCC[C@H]1NCCCCC(C)(C)C#N 235269306 ORRICSDPUKSMHD-ZIAGYGMSSA-N 236.403 3.875 30 20 BHED CC[C@@H](C)CCC(=O)Nc1ccc(CC#N)cc1 284911768 BBKBNKFATNBBFG-GFCCVEGCSA-N 244.338 3.517 30 20 BHED C=C(Br)CN1CCCC[C@@H]1CCC 308258461 LDTZJNNHKVBAQN-NSHDSACASA-N 246.192 3.550 30 20 BHED C#C[C@H](NC(CC)CC)c1ccc(Cl)cc1 309727727 YMOAQHFOXYFQJX-AWEZNQCLSA-N 235.758 3.793 30 20 BHED C[C@@]1(C(O)=Nc2ccc3ccoc3c2)CCCO1 329839348 NTMPFRWVYQQERO-AWEZNQCLSA-N 245.278 3.590 30 20 BHED C[C@H](c1ccccc1)N(CC1(C#N)CC1)C1CC1 352835607 YKMNGIFGBKXYKJ-CYBMUJFWSA-N 240.350 3.516 30 20 BHED C=C(Cl)CN[C@H](C)c1c(F)cccc1Cl 379796054 KLLOQTJJLUQBOX-MRVPVSSYSA-N 248.128 3.882 30 20 BHED C[C@@H]1CN(CCCCC(C)(C)C#N)[C@@H](C)[C@H]1C 399657156 KFVXQKVYIHQBGI-RDBSUJKOSA-N 236.403 3.683 30 20 BHED C=CCCC(=O)N1CC[C@@H](C)c2cccc(C)c21 410966413 FTFUGGOKMUZFNM-GFCCVEGCSA-N 243.350 3.801 30 20 BHED CC(C)[C@@H](C)N(C)CC#Cc1ccc(Cl)cc1 426357160 OTQXTZYWIRDMKQ-CYBMUJFWSA-N 249.785 3.668 30 20 BHED C=CC1CCN(C(=O)[C@@H]2CCC[C@H]2CCC)CC1 448952160 DWENWPVHIFSPJS-HUUCEWRRSA-N 249.398 3.627 30 20 BHED CCC[C@H](CC)SCC1(C#N)CCC1 450943511 SSXWHUSBDVGRNF-NSHDSACASA-N 211.374 3.992 30 20 BHED C=CCC(CC=C)C(=O)NC[C@@H]1CCC[C@H](C)C1 467346691 LJEAGMSXCVTGOW-UONOGXRCSA-N 249.398 3.697 30 20 BHED C=CCCCCNC(=O)C[C@H](CC)C(C)C 471701648 QJJUVKJHTKMSPW-ZDUSSCGKSA-N 225.376 3.531 30 20 BHED C=C(C)CN(CC)C(=O)[C@@H]1CCCC[C@@H]1CC 474788692 BLVJGYWMVQLQIC-UONOGXRCSA-N 237.387 3.627 30 20 BHED C=CCN(CCc1ccco1)CC1CCCC1 491309706 YDBOHZLCRYCXMZ-UHFFFAOYSA-N 233.355 3.500 30 20 BHED C=C(CC)CN(C)Cc1cc(F)c(F)c(F)c1 537529038 SUQUTNIXMXICQE-UHFFFAOYSA-N 243.272 3.502 30 20 BHED C=C(C)CN1C[C@@H](C)C[C@H]1c1cccc(OC)c1 544109682 FOHMWWMDRNPAGC-BBRMVZONSA-N 245.366 3.654 30 20 BHED C[C@H](CCC#N)CN(C1CCCCC1)C1CC1 602440260 PCCPPWXWPCLEJM-CYBMUJFWSA-N 234.387 3.723 30 20 BHED C=CCC1(CNC[C@@H](C)CCC#N)CCCC1 602684776 ULRUXLNBAAHPKR-AWEZNQCLSA-N 234.387 3.652 30 20 BHED N#Cc1c(F)cccc1N1C2CCCC1CCC2 610281131 WHIQAKWJCWGECI-UHFFFAOYSA-N 244.313 3.609 30 20 BHED C=C(C)CCNCc1csc(C(F)(F)F)c1 623538903 ZYMCSUASXMTUJM-UHFFFAOYSA-N 249.301 3.823 30 20 BHED CC(=NNCCCc1ccccc1)C1CCCC1 733076744 XHNWHKWKXPJQNK-UHFFFAOYSA-N 244.382 3.775 30 20 BHED CCC(C)(C)C1CCC(=NOCCOC)CC1 748788773 JSORPGSGGBKGSQ-UHFFFAOYSA-N 241.375 3.632 30 20 BHED CC1(C)CCCC1=NNc1cc(F)cc(F)c1 749858758 OCOPVWZOEYOZPT-UHFFFAOYSA-N 238.281 3.943 30 20 BHED Cc1cccc(C)c1C=NNc1ccccc1 755461946 LPUDBCHLUTXIAL-UHFFFAOYSA-N 224.307 3.749 30 20 BHED CCC1(C)CCC(=NO[C@@H]2CCCCO2)CC1 755825614 YWHPQZSRFYZAHS-KWCCSABGSA-N 239.359 3.876 30 20 BHED C#CC[C@@H](N[C@H](CC)CCC)c1ccccc1 776169166 DVOJHJVNPJCNSG-HZPDHXFCSA-N 229.367 3.919 30 20 BHED CC(C)C[C@@H](C)CC(=O)OCCC(C)(C)C#N 776383622 OJSCFYCQRFQFKX-GFCCVEGCSA-N 239.359 3.542 30 20 BHED CC(C)(C)CCNN=C1CCC[C@H]1CCF 794929208 QIODSCXTGBTUOF-NSHDSACASA-N 228.355 3.528 30 20 BHED C#CCCCN1CC[C@@H](C(C)(C)C)C[C@H]1C 805839196 OGQKHYLOLHQVNB-ZIAGYGMSSA-N 221.388 3.546 30 20 BHED Clc1ccnc(NN=C2CC[C@@H]2C2CCC2)c1 814899317 PSYCUCSCUXNPLW-LLVKDONJSA-N 249.745 3.713 30 20 BHED CC(C)ON=C1CCC(c2ccc(O)cc2)CC1 835002202 NJIGZVMIQAHGHG-UHFFFAOYSA-N 247.338 3.831 30 20 BHED C[C@@H]1CCCCN1N=Cc1sccc1Cl 853382295 XEKWYJLNEBPODM-SECBINFHSA-N 242.775 3.610 30 20 BHED C=C(C)CN1C[C@H]2CCCC[C@@]21c1ccccc1 1319810013 XQJYSOHQOHSWBW-IAGOWNOFSA-N 241.378 3.964 30 20 BHED C=C[C@](C)(CC)c1nnc(-c2cc(C)cs2)o1 1329672076 NYTVYNLPAKTCLJ-CYBMUJFWSA-N 248.351 3.960 30 20 BHED C=C(C)CCC(=O)N[C@@H](C)c1ccc(C)cc1 1336945005 GZRMTGYJVYSZCF-ZDUSSCGKSA-N 231.339 3.529 30 20 BHED C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)C1CCCCCC1 1473369839 ZDBMAFXHZOCDQY-UMVBOHGHSA-N 234.387 3.627 30 20 BHED CC(C)[C@@H]1CCCCCN1CCC(C)(C)C#N 1616683191 GDNABLYRRHONCL-AWEZNQCLSA-N 236.403 3.827 30 20 BHED CCC[C@H](CC)Nc1ccc(C#N)cc1F 50405605 JAHHHEBTTBSOCG-NSHDSACASA-N 220.291 3.688 30 20 BHED CCOc1ccccc1OCCCC(C)(C)C#N 57713548 PRLPLSMVOPIXQD-UHFFFAOYSA-N 247.338 3.794 30 20 BHED N#CCCCCN1CCC2(CCCCC2)CC1 61559684 WSSRINSPDIAAAK-UHFFFAOYSA-N 234.387 3.727 30 20 BHED CCN(CCCC(C)(C)C#N)c1ccccc1F 87608676 HLWJHHYURQBNCU-UHFFFAOYSA-N 248.345 3.982 30 20 BHED C[C@H]1CCC[C@H](CNc2ccc(CC#N)cc2)C1 89607044 YDNRMCCLYVPBOD-ZFWWWQNUSA-N 242.366 3.991 30 20 BHED C[C@H](NCc1cc(C#N)cs1)C1CCCCC1 93492694 IAYVQAXGUFVZOA-NSHDSACASA-N 248.395 3.678 30 20 BHED C=CCSCCN[C@@H](C)c1cccc(C)c1 129366654 MCDSHZFWZKKTAS-ZDUSSCGKSA-N 235.396 3.565 30 20 BHED C=CCCC[C@H](C)NC[C@@H]1C[C@H]2C=C[C@H]1C2 133580833 ASZKAZZSJQVQLT-AJNGGQMLSA-N 219.372 3.533 30 20 BHED C#CCCCCC(=O)Nc1cc(Cl)ccc1C 179629558 CFHMLLNQBYFIDE-UHFFFAOYSA-N 249.741 3.781 30 20 BHED CC#CCCCC(=O)Nc1ccccc1SC 184886398 QGCJJSABZILSML-UHFFFAOYSA-N 247.363 3.541 30 20 BHED N#C[C@@H]1CCC[C@@H](NCc2ccccc2Cl)C1 185759121 GVLMBKLIICLNCW-DGCLKSJQSA-N 248.757 3.512 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1csc(C(C)C)n1 186408465 JVCOFZBIIQUMSO-MNOVXSKESA-N 238.400 3.882 30 20 BHED C[C@@H](c1cc(Cl)ccc1Cl)N(C)CC#N 194984602 LLPSBBDVTUPHDI-QMMMGPOBSA-N 243.137 3.510 30 20 BHED CC(C)(C#N)CCCCN[C@@H]1CCCC1(C)C 232512755 TVJUMPNFCOGDKN-CYBMUJFWSA-N 236.403 3.875 30 20 BHED C=C(Cl)CNC[C@H](c1ccccc1)C(C)C 232742550 SOVBMWLYLJCHNK-AWEZNQCLSA-N 237.774 3.768 30 20 BHED C#C[C@@H](NCc1cc(Cl)cs1)C(C)(C)C 309019191 VZDBWCJJKVLQHT-LLVKDONJSA-N 241.787 3.539 30 20 BHED CCC[C@@H](CC)Nc1ncc(C#N)cc1Cl 309690470 JCYFNKCTMYNSNK-SNVBAGLBSA-N 237.734 3.597 30 20 BHED CCC1(CC)CCN([C@@H]2CC[C@@H](C#N)C2)CC1 335928903 XONROOYUQZEZSL-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED CC[C@@H](NC1(C(C)C)CC1)c1ccc(C#N)cc1 340477769 HVLLCKFAYYXMAC-OAHLLOKOSA-N 242.366 3.788 30 20 BHED Cc1ccc(C#N)c(N2C[C@H](C)c3ccccc32)n1 341724926 XRDZKRABHDLBOQ-NSHDSACASA-N 249.317 3.517 30 20 BHED CCOCCCSCc1ccc(C#N)c(C)c1 362453456 IGRLVDOPDRNXNS-UHFFFAOYSA-N 249.379 3.527 30 20 BHED C=CCCN[C@H](c1ccccc1)C(C)(C)C 381527195 XHCRTMXUVZFYEG-CQSZACIVSA-N 217.356 3.940 30 20 BHED CCCC[C@H](CC)CN1CCC(CC#N)CC1 397171230 DZWWFIDBHDBCKZ-AWEZNQCLSA-N 236.403 3.828 30 20 BHED C=CCC[C@H](C)N[C@H]1C[C@H](c2ccccc2)C1 436295963 SSJLQDQESSZCAB-BPUTZDHNSA-N 229.367 3.877 30 20 BHED CC(C)(C)CSCCOc1ccccc1C#N 440580641 CCFBREGKZZMXBK-UHFFFAOYSA-N 249.379 3.716 30 20 BHED C[C@@H](NCC1(C#N)CCC1)c1ccc(Cl)cc1 450506818 MZFNTBLWXBATRG-LLVKDONJSA-N 248.757 3.684 30 20 BHED C=CC[C@H]1N(C(=O)[C@H](C)CC)CCCC1(C)C 470298187 RHMHOMCWKKJAFX-CHWSQXEVSA-N 237.387 3.626 30 20 BHED C=CCC1(C(=O)Nc2ccc(CC)cc2)CCC1 478242410 CVBCEBOFTTUIKO-UHFFFAOYSA-N 243.350 3.934 30 20 BHED C=CCCCCCN[C@H]1CC(C)(C)OC1(C)C 488002435 OASDICCIVFXJRS-ZDUSSCGKSA-N 239.403 3.669 30 20 BHED CC[C@H]1CCc2ccccc2N1CC1(C#N)CC1 537249484 YNTSUADEDRZPNQ-AWEZNQCLSA-N 240.350 3.522 30 20 BHED CCC[C@H]1CCCC[C@@H]1NCCC(C)(C)C#N 547509679 QEYSGIMBKBOBCE-KBPBESRZSA-N 236.403 3.875 30 20 BHED CC[C@@H](C#N)c1ccc(-c2c(C)noc2C)cc1 592986327 GLVZBBUJNHJFTI-LBPRGKRZSA-N 240.306 3.976 30 20 BHED CCCC[C@@H](CC)NCCc1ccc(C#N)cc1 595056013 OQWRCFRKOGWWSD-MRXNPFEDSA-N 244.382 3.659 30 20 BHED CC(C)Oc1cccc(NC[C@@H](C)CCC#N)c1 602675336 MQAXNYUGCNBMJM-ZDUSSCGKSA-N 246.354 3.826 30 20 BHED C=CCCCCCN(C)C(=O)CCC(C)(F)F 606816621 GKEHLXJJVIBFJQ-UHFFFAOYSA-N 247.329 3.627 30 20 BHED C=C[C@H]1CCCCN1C(=O)c1cc(C)sc1C 683788077 GBAJZFUJOHVIAO-LBPRGKRZSA-N 249.379 3.546 30 20 BHED C#C[C@@H](NC(=O)C1CCCCCCC1)C(C)(C)C 702236754 SGQJCFFTXVWFLI-CQSZACIVSA-N 249.398 3.511 30 20 BHED Cc1ccc(NN=Cc2ccc(F)c(C)c2)cc1 729141348 YDPICABCGTWZKE-UHFFFAOYSA-N 242.297 3.889 30 20 BHED CC(=NNc1ccc(F)cc1F)C1CCCC1 733078179 UOYLZXHEYWLPFN-UHFFFAOYSA-N 238.281 3.943 30 20 BHED CC#CCOC(=O)[C@@H](CC)CC1CCCCC1 745041039 ZFHWMLCYZZXVHC-AWEZNQCLSA-N 236.355 3.550 30 20 BHED Cc1ccc(C=NOC/C(Cl)=C/Cl)cc1 763174783 DBKLMYCJGOXTRC-CGPGJJRRSA-N 244.121 3.665 30 20 BHED CCC(CC)NN=C1CC(C)(C)C[C@H]1C 766019258 DXAWBKSNUPFCJF-SNVBAGLBSA-N 210.365 3.577 30 20 BHED C=CCCCCNC(=O)/C=C/C1CCCCC1 770082244 MWIHXMYELQWLLA-VAWYXSNFSA-N 235.371 3.595 30 20 BHED CC[C@H]1CCCC(=NOCCC(F)(F)F)C1 777462460 BOCFTRZSHOHXGQ-VIFPVBQESA-N 237.265 3.912 30 20 BHED Cc1ccc2[nH]cc(C=NOCCC3CC3)c2c1 814246661 BGOPBZASFWSSCW-UHFFFAOYSA-N 242.322 3.627 30 20 BHED CC(C(=O)O[C@@H]1CCC[C@@H](C#N)C1)=C1CCCC1 839052428 GPDBFROHFARSKF-TZMCWYRMSA-N 247.338 3.502 30 20 BHED CC(C)=CCC[C@H](C)CC(=O)OC1(C#N)CCC1 842732450 OORAFJXBLRVJLG-ZDUSSCGKSA-N 249.354 3.748 30 20 BHED C=C[C@@H](C)ON=C[C@H](OC(C)C)c1ccccc1 844623781 FPOIUYMAECFQIQ-HIFRSBDPSA-N 247.338 3.730 30 20 BHED C=C(C)CNC(=N)Nc1ccc([C@H](C)CC)cc1 849020399 GWXDJIIUDPSMBL-GFCCVEGCSA-N 245.370 3.712 30 20 BHED C=CCN(Cc1ncc(C(C)C)o1)C(C)(C)C 852554797 WOACJZZIVHVMLK-UHFFFAOYSA-N 236.359 3.585 30 20 BHED CC1(C)CC(NCC2(C#N)CCC2)CC(C)(C)C1 1461810719 IGSANYHBSMPLHZ-UHFFFAOYSA-N 248.414 3.875 30 20 BHED C=C(Cl)CN(CC)c1cc(C)ccc1C 1642056594 PDOXRVZDFWIKBF-UHFFFAOYSA-N 223.747 3.882 30 20 BHED CC[C@@H]1CCC[C@@H](CN2CCC[C@](C)(C#N)C2)C1 1663994594 PYJZCIKXASJEOM-BZUAXINKSA-N 248.414 3.828 30 20 BHED CCC(CC)=NNc1ccc2ccccc2n1 20986064 WVOLNPLUVZWAJX-UHFFFAOYSA-N 227.311 3.823 30 20 BHED COc1ccc(/C=C\C(=O)c2cccs2)cc1 33247299 VMWUXSVSQGMOLS-TWGQIWQCSA-N 244.315 3.653 30 20 BHED C=CCCNc1ccccc1C(F)(F)F 70591266 QXFDJVAJAVQFGD-UHFFFAOYSA-N 215.218 3.693 30 20 BHED Cc1cc(C#N)cc(C)c1OCCC(F)(F)F 88154696 JWMQYCMLJXISTC-UHFFFAOYSA-N 243.228 3.506 30 20 BHED Cc1cccc(CN(CC#N)C2CCCC2)c1C 93563235 ASNHKWKONGAXMJ-UHFFFAOYSA-N 242.366 3.572 30 20 BHED C=CC[C@H](C)NCc1cccc(Cl)c1F 131134704 MCGPOHKDYSOOTE-VIFPVBQESA-N 227.710 3.533 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cccc(F)c1F 133646269 OJOMUYZTPPENJG-VHSXEESVSA-N 225.282 3.580 30 20 BHED CC[C@@H](S[C@H](C)C#N)c1ccccc1 156404307 WHLZRUOMFAJIFV-ZYHUDNBSSA-N 205.326 3.783 30 20 BHED N#Cc1cc(CSCc2ccco2)ccc1F 158028809 LRBDWXIZSBVSGR-UHFFFAOYSA-N 247.294 3.724 30 20 BHED CCc1cccc(CSCCCC#N)c1 191027520 OXRJBMGSBITVHD-UHFFFAOYSA-N 219.353 3.786 30 20 BHED C#CCCCCN[C@H](C)c1ccc(CC)cc1 222291688 SYMUJISIXBACAB-CQSZACIVSA-N 229.367 3.703 30 20 BHED CCCCCCC[C@H](C)NCc1ccno1 231881351 OPNIPTGFDWBRLU-LBPRGKRZSA-N 224.348 3.513 30 20 BHED Cc1nsc(NC[C@H]2CCC[C@H](C)C2)c1C#N 235661568 SFYNRGBOUYSFKE-ONGXEEELSA-N 249.383 3.561 30 20 BHED N#CCCC1CCN(CC2CCCCC2)CC1 259974454 KEDOGNUAQUZXFG-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=CCC(C)(C)CN[C@@H]1CCCc2cccnc21 311096850 SIKXRMCTOCXTCL-CQSZACIVSA-N 244.382 3.651 30 20 BHED CC[C@@H](CC#N)N[C@@H]1CCCC12CCCCC2 313096445 DRAGTVOSKUPUSM-UONOGXRCSA-N 234.387 3.771 30 20 BHED CSc1ccccc1N[C@@H]1CC[C@@H](C#N)C1 335604828 RVFUAYBUTLTMRF-GHMZBOCLSA-N 232.352 3.513 30 20 BHED C=CC[C@H](C)N[C@H]1CCC[C@H](c2cccnc2)C1 337332326 ICFAPYNHAJQXGZ-DZKIICNBSA-N 244.382 3.662 30 20 BHED CCC(C)(C)C(=O)CSc1ccc(C#N)cc1 351677704 RBCKBOXBKZVHRA-UHFFFAOYSA-N 247.363 3.656 30 20 BHED C=CCC[C@@H](NC[C@@H](CC)OC)c1ccccc1 353548301 LPAITTZKDBGECE-HZPDHXFCSA-N 247.382 3.709 30 20 BHED C=CCCCSC[C@@H]1CCC(C)(C)O1 358662178 OBPXRAQAUBHCHI-NSHDSACASA-N 214.374 3.643 30 20 BHED C=CCCCCNCc1cc(F)c(F)cc1F 379769830 PLRHQLSFQCKXDA-UHFFFAOYSA-N 243.272 3.550 30 20 BHED C=CCC[C@H](CCC)N[C@@H]1CC[C@H](F)C1 389857191 BMGYOGBGIQGMSP-RWMBFGLXSA-N 213.340 3.602 30 20 BHED C[C@H]1CC[C@H](C)N1CC#Cc1cccc(Cl)c1 438529977 FHQDJHWBFVKKCG-STQMWFEESA-N 247.769 3.564 30 20 BHED C=C(C)CCN1CC=C(c2ccc(F)cc2)CC1 509276622 LASWUKYRORVJNP-UHFFFAOYSA-N 245.341 3.881 30 20 BHED C=CC[C@H](C)[C@@H](C)NCc1noc2ccccc12 516490642 LMJWKJRCPICGHJ-NWDGAFQWSA-N 244.338 3.518 30 20 BHED C=CCC(C)(C)CN[C@@H]1CS[C@@H](C(C)C)C1 517765821 JHWWNLQFTJTCRX-QWHCGFSZSA-N 241.444 3.708 30 20 BHED C=C(C)COCCN[C@H]1CCC[C@@H]1CCCC 539064911 NSJKTLCLFUPQEG-GJZGRUSLSA-N 239.403 3.528 30 20 BHED C=CCC[C@H](CC)NCC[C@@H]1CCO[C@H](C)C1 541559672 BPAVLLWINZNVMD-KFWWJZLASA-N 239.403 3.526 30 20 BHED C=CCC(CC=C)C(=O)NC[C@H]1CCCC1(C)C 581509495 DYUQGWPKVSCSBE-CQSZACIVSA-N 249.398 3.697 30 20 BHED CC[C@H](CCc1ccccc1)NCCCCC#N 599027320 LPJTWQFWWKONHR-MRXNPFEDSA-N 244.382 3.681 30 20 BHED C[C@@H](CCC#N)CN[C@@H](C)CCc1ccccc1 602504506 RYROCHRSUYMURF-GJZGRUSLSA-N 244.382 3.537 30 20 BHED C[C@@H](CCC#N)CNc1ccc2ncsc2c1 602591654 XSXMIIHWLWRPIS-JTQLQIEISA-N 245.351 3.648 30 20 BHED CC1=CCC[C@H](C)[C@H]1CN1CCC[C@@](C)(C#N)C1 615506948 NYJRSBCDPXNYHU-JYJNAYRXSA-N 246.398 3.604 30 20 BHED CC(C)(C)CCN[C@@H]1CCc2cc(C#N)ccc21 618831310 IIPPKGYTPWDSJY-OAHLLOKOSA-N 242.366 3.571 30 20 BHED C=CCC1(NC(=O)[C@@H]2CCC(C)(C)C2)CCCC1 619110844 JUQIGEOGQXYHOH-CYBMUJFWSA-N 249.398 3.818 30 20 BHED C=CCCCOC(=O)c1coc2ccccc12 735536509 QBIWMKZHQDQSQF-UHFFFAOYSA-N 230.263 3.556 30 20 BHED CC1(C)CCC[C@H](C=NOCc2cccnc2)C1 752733640 FJAADVUWQHTMMZ-ZDUSSCGKSA-N 246.354 3.800 30 20 BHED C#CCCCN1C[C@@H](C)C[C@H]1c1cccc(F)c1 766904176 XTOUQWKHLJPAAY-BBRMVZONSA-N 245.341 3.622 30 20 BHED C=CCN(C/C(C)=C/c1ccccc1)C(C)C 768548273 ZYBFYJAOXYHDDP-NTCAYCPXSA-N 229.367 3.986 30 20 BHED Cc1cccc(F)c1NN=Cc1ccccc1 769828683 UVLHJJXNERLMHK-UHFFFAOYSA-N 228.270 3.580 30 20 BHED C=C(Cl)CN[C@H](C)c1ccc2ccccc2n1 773003282 CLYQNFLFJUTSRU-LLVKDONJSA-N 246.741 3.638 30 20 BHED CCC(CC)CNN=C1CCC[C@@H]1CC 774463983 SQNRMDMZTHNPPR-LBPRGKRZSA-N 210.365 3.578 30 20 BHED Fc1cccc2[nH]cc(C=NOC3CCCC3)c12 774603370 PZMCCFNJISBBQN-UHFFFAOYSA-N 246.285 3.600 30 20 BHED CCON=C(CC1CCC1)c1ccccc1 776185082 DYVLMELYENFING-UHFFFAOYSA-N 217.312 3.617 30 20 BHED CC(Cc1coc2ccccc12)=NOC(C)C 835003279 XPUHJCFHRPDMEE-UHFFFAOYSA-N 231.295 3.776 30 20 BHED CCC(=NNc1ccccc1F)[C@H]1C[C@H]1C 841616988 TZYZZNKVUQBRRQ-ZJUUUORDSA-N 220.291 3.660 30 20 BHED C=C[C@H](OC(=O)C1(F)CCCC1)c1ccccc1 851451921 NHLITRKKYOFVSI-ZDUSSCGKSA-N 248.297 3.739 30 20 BHED Cc1ccc(F)cc1NN=C1CC2(CCC2)C1 853394016 WASBICIBAVHLQO-UHFFFAOYSA-N 232.302 3.866 30 20 BHED C#CCCOC(=O)Oc1cc(C(C)C)ccc1C 858877008 ZBPCYVWAQWQZTR-UHFFFAOYSA-N 246.306 3.657 30 20 BHED CC(=NNc1ccc(F)cc1)c1cccc(C)c1 916268235 RVAVGUIZCIFUDJ-UHFFFAOYSA-N 242.297 3.970 30 20 BHED CC(=NOC(C)(C)C)c1cccc(Cl)c1 1116404135 BCHXCXSUBIGXDJ-UHFFFAOYSA-N 225.719 3.879 30 20 BHED CCON=CC1CCC(c2ccccc2)CC1 1116915125 CGFRERLCHCSARQ-UHFFFAOYSA-N 231.339 3.983 30 20 BHED C=C(CC)C(=O)Nc1ccccc1OCCCC 1123505297 NSRBWVOEAJGNMH-UHFFFAOYSA-N 247.338 3.770 30 20 BHED CC(=NOC(C)(C)C)c1coc2ccccc12 1319578235 SYWZLCVRJQUOKZ-UHFFFAOYSA-N 231.295 3.972 30 20 BHED C=C(CC(C)C)C(=O)N(C)[C@@H](C)c1ccccc1 1520755284 ZDEGBINVUFEDGW-AWEZNQCLSA-N 245.366 3.808 30 20 BHED C=CCCC(=O)Nc1cccc2ccccc12 35092383 WINHEBQOZJIMCG-UHFFFAOYSA-N 225.291 3.745 30 20 BHED CC[C@H]1CCCC[C@H]1NCc1cccc(C#N)c1 35256718 QLPKYMVXNCKMNM-JKSUJKDBSA-N 242.366 3.617 30 20 BHED Cc1cccc(CNc2cccc(C#N)c2)c1C 43304752 JAYHUXOCUHBEMS-UHFFFAOYSA-N 236.318 3.787 30 20 BHED CC[C@H](C)[C@@H](C)Nc1ccc(C#N)cc1F 49094504 FVNFGKLBIWITOV-VHSXEESVSA-N 220.291 3.544 30 20 BHED C=C(C)CN(CC)C(=S)Nc1cccc(C)c1 57740721 NKBGALBZPOYHPQ-UHFFFAOYSA-N 248.395 3.590 30 20 BHED C=CCCCOc1c(C)cc(C#N)cc1C 88154146 DICJAEKTJPLLKZ-UHFFFAOYSA-N 215.296 3.520 30 20 BHED COc1ccc([C@@H](C=O)C2CCCCC2)cc1 98179280 BLSVCLKHBCMJCW-HNNXBMFYSA-N 232.323 3.558 30 20 BHED CCCCCCCn1c(=O)oc2ccccc21 100869453 WANSKBZLGYAMMQ-UHFFFAOYSA-N 233.311 3.565 30 20 BHED C=CCCC[C@H](C)NC(=O)c1cccn1C(C)C 182608806 ATPCXRALPLLUFP-ZDUSSCGKSA-N 248.370 3.544 30 20 BHED CC#CCCCC(=O)Nc1cc(C)ccc1Cl 185865546 WQENKQHXWKDJQT-UHFFFAOYSA-N 249.741 3.781 30 20 BHED CC1(C)CCC/C(=C\c2ccc(C#N)cc2)C1=O 255669042 ROZSSUFXOXSMML-GXDHUFHOSA-N 239.318 3.721 30 20 BHED C=CCCCC(=O)NCC[C@H](C)c1ccccc1 267115904 CNGHDKWUBYTOCT-AWEZNQCLSA-N 245.366 3.653 30 20 BHED C=C1CCN(C(=O)c2cc(C(C)C)oc2C)CC1 285486299 WIMYQBXGQVWRCK-UHFFFAOYSA-N 247.338 3.504 30 20 BHED CCSCCOc1cc(C)c(C#N)c(C)c1C 310440508 WFYIWAQMTKGOEG-UHFFFAOYSA-N 249.379 3.615 30 20 BHED C=C(CC)CN[C@H](C)c1ccc(OCC)cc1 313529311 CABLBMIBQQAJQW-CYBMUJFWSA-N 233.355 3.702 30 20 BHED C[C@H]1CC[C@@H](Sc2ccccc2C#N)C1 338553917 QPMOZWDZTAFLDO-CMPLNLGQSA-N 217.337 3.839 30 20 BHED CC1CCC(C)(NCc2cccc(C#N)c2)CC1 344220927 POPHCIWMQGCOER-UHFFFAOYSA-N 242.366 3.617 30 20 BHED Cc1nc(NC2CCCCC2)c(Cl)cc1C#N 384022902 RHZACIZVMHLPEG-UHFFFAOYSA-N 249.745 3.660 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccc(N(C)C)cc1 385443341 HVIYHXBGDDDDPG-CYBMUJFWSA-N 246.398 3.615 30 20 BHED C=CCC[C@H](CC)N[C@@H](C)[C@@](C)(OC)C1CC1 414224737 AYZSJOIXWDFHTG-AEGPPILISA-N 239.403 3.524 30 20 BHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)[C@H](C)C1CCCCC1 424335935 XDOSPIIEZDIQHO-RZLSGREXSA-N 248.414 3.873 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H](CC)[C@@H]1CC1(C)C 424897910 WNOQLIYUDMIDEI-RYUDHWBXSA-N 237.387 3.530 30 20 BHED C=CC[C@H]1N(Cc2ccn(C)c2)CCCC1(C)C 446831957 KPGCGZVSVZAYRX-OAHLLOKOSA-N 246.398 3.592 30 20 BHED C=CCC(C)(C)C(=O)NC[C@@H]1CCC[C@H]1CC 452535059 WDPXAJIMFMZBBN-OLZOCXBDSA-N 237.387 3.531 30 20 BHED C[C@H]1CCC[C@H](C)N(c2cccc(F)c2C#N)C1 462895070 PUYPBEPUCFITCQ-RYUDHWBXSA-N 246.329 3.712 30 20 BHED C=CCN(CC1CCCCC1)C(=O)[C@H](C)CC 482764602 TYLMSUREJANLAG-CYBMUJFWSA-N 237.387 3.627 30 20 BHED CC[C@H](CN(CC)C[C@H](C)C#N)c1ccccc1 509811953 LOMOFERRGDYUGL-HUUCEWRRSA-N 244.382 3.662 30 20 BHED C=CCN[C@@H](c1ccc(F)cc1)c1cccs1 532048030 YIYWEYJVXPCOEE-AWEZNQCLSA-N 247.338 3.752 30 20 BHED CCC1(CC)CCCN([C@@H]2CC[C@H](C#N)C2)CC1 578528352 UYQMSOOVDIVPPE-LSDHHAIUSA-N 248.414 3.971 30 20 BHED CC1=CC[C@@H](N[C@@H](C)c2cccc(C#N)c2)CC1 585726081 RMCJRZGLDNUCJE-XJKSGUPXSA-N 240.350 3.708 30 20 BHED COCc1ccc(SCC2(C#N)CCC2)cc1 590728826 XPWMTPDVHIRVNR-UHFFFAOYSA-N 247.363 3.619 30 20 BHED C[C@@H](CCC#N)CNc1ccc(C2CC2)cc1 602584176 XOIPTUOHXYYEMN-LBPRGKRZSA-N 228.339 3.916 30 20 BHED C=CCCCN1C[C@H](c2ccc(F)cc2)C[C@@H]1C 605768415 MSUJUDOGQKSERK-DZGCQCFKSA-N 247.357 3.970 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)CC(C)(C)C#N 695891626 NSRRMCDMENYOLK-CHWSQXEVSA-N 222.376 3.649 30 20 BHED CCCCCCCCC/C=C/C(=O)N(C)C 726884101 WYZNCUXZUAPBJB-OUKQBFOZSA-N 225.376 3.772 30 20 BHED CCCCCCCC(=O)N1C[C@H](C)CC1(C)C 746659165 UVBISQZWZBKHJP-CYBMUJFWSA-N 239.403 3.994 30 20 BHED C#CCCCOC(=O)C(C)(C)CCCCC 753398827 BOXZYTFNNOTZMA-UHFFFAOYSA-N 224.344 3.550 30 20 BHED C#CC[C@@H](N[C@@H]1CCC(C)(C)C1)c1ccccc1 753687865 DIJLIDUXMUTJEX-HZPDHXFCSA-N 241.378 3.919 30 20 BHED CCCCCOc1ccc(C=NOCC)cc1 767460507 DIOPMPWONXHXSO-UHFFFAOYSA-N 235.327 3.626 30 20 BHED C[C@H]1CC(=NOC2CCCC2)C[C@H](C)C1 774596702 KDZXCGLGBFDHBD-GHMZBOCLSA-N 209.333 3.758 30 20 BHED C#CCCN[C@@H](CCCC)c1ccc(OC)cc1 775354796 CVKIKTWSBZPESD-INIZCTEOSA-N 245.366 3.539 30 20 BHED CC(=NNC1CCCC1)c1csc(Cl)c1 787155326 PYWWNJPOLGDBJA-UHFFFAOYSA-N 242.775 3.658 30 20 BHED C=CCCCCC[C@H](C)Nc1cnn(CC)c1 793545506 DXHWRDIITRISHI-ZDUSSCGKSA-N 235.375 3.840 30 20 BHED C[C@H]1C[C@H](C)CCC1=NNCC1CCCC1 808006061 OBVGJBPKLSTRHS-NEPJUHHUSA-N 222.376 3.578 30 20 BHED CCC(CC)=NNc1cc(C(F)(F)F)ccn1 834983652 RNTXEEMZBCFDCT-UHFFFAOYSA-N 245.248 3.688 30 20 BHED C=C(CC)CNC(=S)Nc1ccc(C)c(C)c1 840826947 YGRPZYWRVCPYCU-UHFFFAOYSA-N 248.395 3.556 30 20 BHED CC1=C(C)C[C@H](C(=O)O[C@@H](C)C(C)(C)C#N)CC1 842741345 HRVYIVVNMCHHHZ-QWHCGFSZSA-N 249.354 3.604 30 20 BHED C=C(C)CON=C(C)c1cc(C)sc1C 844615175 NVGWLBNAEUZULP-UHFFFAOYSA-N 223.341 3.682 30 20 BHED C=CCCC(C)(C)NC(=O)/C=C(/C)CCC 856374061 KSPIVGDJIHFWCX-QXMHVHEDSA-N 223.360 3.594 30 20 BHED Oc1ccccc1C=Nc1ccc(Cl)c(F)c1 915983285 WLTDFJMZIPHTOA-UHFFFAOYSA-N 249.672 3.935 30 20 BHED C=C(Cl)CSCc1cc(F)ccc1F 917955060 WLWVSSAHGLWXPH-UHFFFAOYSA-N 234.698 3.951 30 20 BHED C=CCCCCCCN[C@H](C)c1ccnc(O)c1 926422989 LVTLEAARHSBVSZ-CYBMUJFWSA-N 248.370 3.574 30 20 BHED CCCN(CC1CCCCC1)[C@@H]1CC[C@@H](C#N)C1 1459346897 GENXGSREIDHOKJ-HZPDHXFCSA-N 248.414 3.971 30 20 BHED C=C(CC)C(=O)Nc1ccccc1C(C)(C)C 1520379714 CGZPSTYDERXDCO-UHFFFAOYSA-N 231.339 3.889 30 20 BHED Cc1cc(SCc2ccns2)ccc1C#N 1652912636 RAIRLKIPGSZKHF-UHFFFAOYSA-N 246.360 3.616 30 20 BHED CCCCCCCCCn1ccnc1C 2274821 FKGMPZBNFPJVCH-UHFFFAOYSA-N 208.349 3.942 30 20 BHED C=C(Cl)CN1CCC[C@H]1c1ccsc1 46089344 VNJSZCIJPYRLHX-NSHDSACASA-N 227.760 3.638 30 20 BHED C=CCSc1nnc(-c2ccc(C)c(C)c2)o1 58186860 ZVODCRGMSSAPCL-UHFFFAOYSA-N 246.335 3.632 30 20 BHED CN(CC1CCCC1)c1ccc(C#N)c(Cl)c1 110845562 DUUIQNUTIJAASC-UHFFFAOYSA-N 248.757 3.838 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)c1nccs1 132007391 BGIHAVNVNFKZLK-RYUDHWBXSA-N 238.400 3.929 30 20 BHED C=CC[C@@H](C)NCc1cccc2ccccc12 134747600 LNVKLPHVZFGYLL-CYBMUJFWSA-N 225.335 3.894 30 20 BHED CC(C)Cc1ccc([C@@H](C)NCCCC#N)cc1 159201412 FWJZSNDXCFMREW-CQSZACIVSA-N 244.382 3.839 30 20 BHED N#Cc1ccc(/C=C/c2cc(Cl)cs2)nc1 195336680 PEJYWKQAQBVANV-ONEGZZNKSA-N 246.722 3.839 30 20 BHED CC(C)(C#N)CCCCOc1ccc(C=O)cc1 232519930 GBJSAADVOJJHDV-UHFFFAOYSA-N 245.322 3.598 30 20 BHED Cc1ccc(C=NOCc2cccc(F)c2)cc1 254975112 PKVQESZKVSMMQM-UHFFFAOYSA-N 243.281 3.685 30 20 BHED C=CCCC(=O)N1CCCC[C@@H]1c1ccccc1 273974611 XXLMSULFOKPDOF-OAHLLOKOSA-N 243.350 3.706 30 20 BHED C=CCCCCN[C@@H](C)c1ccc(Cl)nc1 309363816 AYLLBHBMJNQPTH-NSHDSACASA-N 238.762 3.742 30 20 BHED Cc1c(Cl)cccc1N[C@@H]1CC[C@@H](C#N)C1 309611750 AINDVCMRRYQEDO-GHMZBOCLSA-N 234.730 3.753 30 20 BHED N#CCCCCSCCCCCF 336653526 MHOZFMJNPMKGII-UHFFFAOYSA-N 203.326 3.553 30 20 BHED C=CCCNc1ccc2sc(C)nc2c1 379957515 VVGYERYCVFAYBI-UHFFFAOYSA-N 218.325 3.593 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H](C)CC(F)(F)F 389923322 UAEHONZNLLHQDJ-AEJSXWLSSA-N 223.282 3.518 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccc(C)cc1O 393776879 YMXCNGDVBJWUAF-STQMWFEESA-N 233.355 3.706 30 20 BHED CC[C@H](CS[C@@H](C)c1ccc(C#N)cc1)OC 419416436 HDGBKGNELCOJLE-SMDDNHRTSA-N 249.379 3.777 30 20 BHED C=CC(C)(C)CNC(=O)C[C@@H]1CCC[C@H](C)C1 452774514 FFZVBVAOFAXOAP-QWHCGFSZSA-N 237.387 3.531 30 20 BHED C=C(C)CCN[C@@H](C)c1cnn(C(C)(C)C)c1C 453319141 NNFDMGISCQSHAM-LBPRGKRZSA-N 249.402 3.563 30 20 BHED C=CCCCN1C[C@H](C)[C@H]1c1ccccc1 483073200 TXODNJXPBHIZNU-ZFWWWQNUSA-N 215.340 3.646 30 20 BHED CCCC[C@@H](NCCC(C)(C)C#N)C1CCC1 541594048 NDNYYKYCJKCEHV-CQSZACIVSA-N 236.403 3.875 30 20 BHED CC[C@H](C)[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 570439711 XNXNYYCTLWSILA-MKBNYLNASA-N 242.366 3.570 30 20 BHED C=CC[C@@H]1CCCN(CCCC(C)(C)C#N)C1 595657769 BYQMQEDQOUDCBD-CQSZACIVSA-N 234.387 3.604 30 20 BHED C=C(CC)CSCc1noc(C2CCC2)n1 600624241 ALBUQFQNVJPHEC-UHFFFAOYSA-N 238.356 3.537 30 20 BHED Cc1ccc(CN(C)C[C@H](C)CCC#N)cc1C 602685268 DVVODCTUHBRBDA-CYBMUJFWSA-N 244.382 3.675 30 20 BHED CC[C@@H](C)Sc1nc2c(c(C)c1C#N)CCC2 609960994 RPMQGFRYCXOVMY-SECBINFHSA-N 246.379 3.641 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C[C@H]2CCC[C@@H]2C)C1 617781413 LTVGWCJBLKNYBD-RRFJBIMHSA-N 249.398 3.627 30 20 BHED CCCCCCCC(=O)OCC1CCC1 744197970 BSHRAIIADIJLMA-UHFFFAOYSA-N 212.333 3.690 30 20 BHED C=C(Cl)CN(CC)c1ccccc1C 754938361 GGNBMTKLHDZDTK-UHFFFAOYSA-N 209.720 3.574 30 20 BHED CC[C@@H]1CCCC1=NNCCc1ccccc1F 764724930 YZPLIEWHBOIJOT-GFCCVEGCSA-N 248.345 3.524 30 20 BHED C[C@@H]1CCC[C@@H](C=NNCc2ccccc2)C1 768354879 KYPIYMILXNMOES-UKRRQHHQSA-N 230.355 3.588 30 20 BHED CC(CCC1CC1)=NNc1ccccc1 768765075 YXBGWGKZZSRCBI-UHFFFAOYSA-N 202.301 3.665 30 20 BHED O=C(/C=C\c1ccccc1Cl)c1cscn1 769263600 JELQTCUTZYIWPI-WAYWQWQTSA-N 249.722 3.693 30 20 BHED C=CC[C@@H](C)C(C)=NNc1cc(Cl)ccn1 777905905 CASDJGIXWIGBLF-SECBINFHSA-N 237.734 3.735 30 20 BHED Cc1ccc(C)c(NN=C[C@]2(C)CCCS2)c1 792936397 MPCGWUSEOUXDQP-AWEZNQCLSA-N 248.395 3.987 30 20 BHED C=CCCCCOC(=O)CCc1cccs1 811014356 VTJMTWMYBURLBD-UHFFFAOYSA-N 238.352 3.580 30 20 BHED FC(F)(F)c1ccc(C=NOC2CCC2)cc1 812236651 PYTDYTBIHCCAIB-UHFFFAOYSA-N 243.228 3.608 30 20 BHED CC(=NOCC1CC1)c1cc(C)c(F)c(C)c1 814243252 NDGKFOVCIGNVME-UHFFFAOYSA-N 235.302 3.593 30 20 BHED CCOc1ccc(NN=C2CC3(CCC3)C2)cc1 814985777 RUNBNZQFMQPUCI-UHFFFAOYSA-N 244.338 3.817 30 20 BHED CC(C)CC=NNc1cc(C(F)(F)F)ccn1 834984324 UNRJBMGPDDRKIO-UHFFFAOYSA-N 245.248 3.544 30 20 BHED C=C(Cl)CNc1c(OC)cccc1SC 849317806 ZEZSKPDOHYLHRL-UHFFFAOYSA-N 243.759 3.582 30 20 BHED FCCC[C@@H]1CCCC1=NOCC1CCC1 853441626 ZHZQHGZVJZPKKM-LBPRGKRZSA-N 227.323 3.709 30 20 BHED C=CCCC(C)(C)NC(=O)/C=C1\CC[C@@H](C)C1 856373888 CVQKKNBYTLAKPV-RVROTUBLSA-N 235.371 3.594 30 20 BHED Cc1ccc([C@H](C)C=NOCCOC(C)C)cc1 863114253 FPGBSYXKNMLQTE-CQSZACIVSA-N 249.354 3.526 30 20 BHED C=C(CC)C(=O)N[C@](C)(CC)c1ccc(F)cc1 1263869356 PBSCHBAADABUAA-OAHLLOKOSA-N 249.329 3.533 30 20 BHED C=C(C)CCC(=O)Nc1ccc(SC)cc1 1335503834 IPRZEIZPBHXQRS-UHFFFAOYSA-N 235.352 3.703 30 20 BHED C=C(CC)C(=O)N[C@H](c1ccccc1)C1CCC1 1351152193 GSEHAMOOBXPABZ-OAHLLOKOSA-N 243.350 3.610 30 20 BHED CC(C)C[C@H]1CCCN(C[C@H](C)CCC#N)C1 1560664371 NIIQHVVDWOFCNG-HUUCEWRRSA-N 236.403 3.684 30 20 BHED CCCCCCOc1ccc(C#N)cc1OCC 11892230 REWIFRABKRMITJ-UHFFFAOYSA-N 247.338 3.916 30 20 BHED N#Cc1ccc(/C=C\c2nc3ccccc3o2)cc1 33477186 QMHUDPLFTRMNJL-KTKRTIGZSA-N 246.269 3.870 30 20 BHED C#Cc1cccc(N[C@@H](C)CCc2ccco2)c1 35450484 QQOMWMNWUOAQGZ-ZDUSSCGKSA-N 239.318 3.694 30 20 BHED C[C@@H](N[C@H](C)c1ccco1)c1cccc(C#N)c1 37260565 VXXMIHNHEYEXMQ-VXGBXAGGSA-N 240.306 3.563 30 20 BHED CCn1c(-c2cccc(C#N)c2)nc2ccccc21 48526504 OJNLTGLEJVFYKQ-UHFFFAOYSA-N 247.301 3.595 30 20 BHED C[C@@H]1CCCCN1c1ccc(C#N)c(Cl)c1 61850658 YUTRZRVAQJXOCV-SNVBAGLBSA-N 234.730 3.590 30 20 BHED N#CCC1(CSCC2CCCC2)CC1 83862475 FBQZKUAZHNWDCY-UHFFFAOYSA-N 209.358 3.604 30 20 BHED Cc1nsc(N[C@H](C)c2cccs2)c1C#N 86254595 HXKXMSDBYSEJKC-MRVPVSSYSA-N 249.364 3.558 30 20 BHED C#CCCCCC(=O)NCC(CC)(CC)CC 120000841 SFKXCLIGXDRJQV-UHFFFAOYSA-N 237.387 3.513 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccccc1C(F)(F)F 132678482 JNAIIAHNRXBPCA-NXEZZACHSA-N 243.272 3.931 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc(Cl)s1 157231681 YYAZLJWXMUIFMV-JGVFFNPUSA-N 215.749 3.627 30 20 BHED C=C(Cl)CN[C@@H](C)c1cc(C)cc(C)c1 161730108 ADNHWGUQOISDRW-LBPRGKRZSA-N 223.747 3.707 30 20 BHED C=CCCNCc1ccc(F)cc1C(F)(F)F 161745616 NVMVKFFYHNRENN-UHFFFAOYSA-N 247.235 3.510 30 20 BHED C=CCCN[C@H](C)c1ccc(Cl)c(F)c1 162396363 AMUREZAZWJHIJG-SECBINFHSA-N 227.710 3.706 30 20 BHED C=CCN[C@H](CC(C)C)c1ccccc1OC 181705268 GXLJLEXZWDPUJF-CQSZACIVSA-N 233.355 3.558 30 20 BHED Cc1cccc(N(C)Cc2cc(C#N)cs2)c1 184736675 BQFSXUWNVJCNGZ-UHFFFAOYSA-N 242.347 3.565 30 20 BHED C[C@@H](c1cccc(C#N)c1)N(C)CC1CCCC1 187664747 ZSPSYRZXFUXZPO-ZDUSSCGKSA-N 242.366 3.741 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@H](C)CCCCC 190090850 HEOBYTFCXQJPOY-OCCSQVGLSA-N 225.376 3.674 30 20 BHED CC(C)c1ccc(CS[C@H](C)C#N)cc1 195204273 RBBTWEGJZRZXOU-LLVKDONJSA-N 219.353 3.955 30 20 BHED C[C@H](N(C)Cc1cc(F)ccc1C#N)C(C)(C)C 229957169 LHFOGELANQQHEL-NSHDSACASA-N 248.345 3.564 30 20 BHED N#C[C@H]1CC[C@H](Sc2ncccc2Cl)C1 278667458 XPORTEJFSJQDAD-IUCAKERBSA-N 238.743 3.519 30 20 BHED C=C(Cl)CN[C@H](CC)c1ccsc1 294480111 WYTVIZRAATUUJR-SNVBAGLBSA-N 215.749 3.541 30 20 BHED C=CCC[C@H](NCC(C)(C)CC)C1CC1 309119299 MVXKEJMZNNSEPH-ZDUSSCGKSA-N 209.377 3.757 30 20 BHED C=CCCOCCN[C@H](CC)c1cccc(C)c1 310676600 JMSSMKXRFUHYJK-MRXNPFEDSA-N 247.382 3.628 30 20 BHED CCC[C@@H](NCC(C)(C)CCC#N)C1CCC1 324935239 OTIFUJPSGINAOY-CQSZACIVSA-N 236.403 3.875 30 20 BHED C=CCC(C)(C)C(=O)N1CC[C@@H](C)C2(CCC2)C1 345054800 PPTOEQMXEJQJHH-CYBMUJFWSA-N 249.398 3.627 30 20 BHED C=CCC[C@H](NCC(C)(C)CCC#N)C1CC1 348204690 HTVQMGHAAXRVJJ-AWEZNQCLSA-N 234.387 3.651 30 20 BHED C=CCN(CCCCF)Cc1ccccc1F 351844417 KNJOAEQBWPIWLX-UHFFFAOYSA-N 239.309 3.563 30 20 BHED CC[C@]1(C)CCCN(Cc2ccccc2C#N)C1 353671086 CHTISHBPGGOYDE-MRXNPFEDSA-N 242.366 3.570 30 20 BHED C=CCCCN[C@H](C)c1ccc(F)cc1C 378849436 CWCIKIOZNPYKEG-GFCCVEGCSA-N 221.319 3.751 30 20 BHED CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1cccc(C#N)c1 388922736 SBQDHPNIKMBNHL-BJJXKVORSA-N 242.366 3.788 30 20 BHED CCCCCCC[C@H](C)N[C@H](C)[C@H](C)OC 390544063 MFUQHWSHILIEIE-MJBXVCDLSA-N 229.408 3.748 30 20 BHED C=CCC[C@H](CC)NC[C@@H](C)C(F)(F)F 393623484 OAQXECVAGRMGOO-ZJUUUORDSA-N 223.282 3.519 30 20 BHED N#CCc1ccc(CSc2nccs2)cc1 399124828 JLONSMBDSJJPKS-UHFFFAOYSA-N 246.360 3.501 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 425147233 LEOKHQKAGHDPNT-UONOGXRCSA-N 249.398 3.674 30 20 BHED C=CCC[C@@H](Nc1ccc(F)c(OC)c1)C1CC1 437051462 RGPZELWCNYYXNZ-CQSZACIVSA-N 249.329 3.991 30 20 BHED CC[C@@H](NC1CCC(C)(C#N)CC1)C(C)(C)C 449124763 HEZUHJZGKMXAMB-JVWICGRDSA-N 236.403 3.873 30 20 BHED C=CCC[C@H](CC)NC[C@H]1CCCC1(F)F 449496399 PZIGAPADXOGTPD-NEPJUHHUSA-N 231.330 3.756 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCCC[C@H]1OCC 449757257 CWYUQYALBNYVGB-GBJTYRQASA-N 239.403 3.524 30 20 BHED C=CCOCCCSCC1CCCCC1 475973397 FIHBBLWHYUQYAY-UHFFFAOYSA-N 228.401 3.893 30 20 BHED C=CCC(C)(C)CNC(=O)C1(CC)CCCC1 489909453 QFUPOKDTEXJVAU-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCN1C[C@H](C)CC[C@H]1c1ccccc1OC 510192644 NOWWAQWFEAVLKR-HIFRSBDPSA-N 245.366 3.654 30 20 BHED C=CCC[C@H](CC)N[C@H](CCOC)C(C)(C)C 511036331 FRUFZGHZBGINLM-UONOGXRCSA-N 241.419 3.772 30 20 BHED CC(C)(C#N)CCN1CCCC2(CCCCC2)C1 539588754 SOQYYBOQZOFIPN-UHFFFAOYSA-N 248.414 3.973 30 20 BHED C=CC[C@H]1CCCC[C@H]1NCC1(SC)CC1 595054425 NWVPPCGMLZJYQC-QWHCGFSZSA-N 239.428 3.607 30 20 BHED C[C@H](c1ccccc1F)N1CCC[C@@H](CC#N)C1 595610783 CCPPNUCKCYQGJV-OLZOCXBDSA-N 246.329 3.512 30 20 BHED CCCC[C@@H](CC)NCc1ccc(C#N)cc1F 610812464 CZIIPPCGSCTYBM-CQSZACIVSA-N 248.345 3.756 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cccc(OC)c1C 628697933 KCSAVZOIEUTBHQ-HNNXBMFYSA-N 247.338 3.544 30 20 BHED C#CCCCCC(=O)N1CCCC(CC)(CC)C1 690346033 CYBGKGUXKGGOJM-UHFFFAOYSA-N 249.398 3.609 30 20 BHED C=CCCOC(=O)CC[C@H](C)c1ccccc1 750102588 BAQDOVGIZJEUQF-ZDUSSCGKSA-N 232.323 3.690 30 20 BHED C=C(Cl)CN1CCCC12CCCCC2 759397677 YEILQRRSNACIJY-UHFFFAOYSA-N 213.752 3.538 30 20 BHED CC(=NNc1cccc(C)c1)c1cnc(C)s1 761251571 DWWNRHUYEHJNFY-UHFFFAOYSA-N 245.351 3.596 30 20 BHED C#CCCCN1CCC[C@H]1c1ccc(C)cc1 766895757 HHSAEGYFRMPNHA-INIZCTEOSA-N 227.351 3.545 30 20 BHED C=C(C)CN(CC)Cc1ccc(N(C)CC)cc1 773735004 WBYZVIOWOKHUTO-UHFFFAOYSA-N 246.398 3.541 30 20 BHED C#CCCCN[C@@H](c1ccccc1C)C(C)C 774443246 OPRRKVMGYDFFSB-MRXNPFEDSA-N 229.367 3.695 30 20 BHED CCCCCCCCCN(C)CC1(C#N)CC1 775945215 GXGYATFLKFFDPM-UHFFFAOYSA-N 236.403 3.973 30 20 BHED CC1CCC(=CC(=O)OCCC(C)(C)C#N)CC1 776387414 WPRAUIAEIKWOOT-UHFFFAOYSA-N 249.354 3.606 30 20 BHED C=C(C)CN(C)[C@H]1CCc2cc(Cl)ccc21 782192007 RWBWAVQFKYAMTM-AWEZNQCLSA-N 235.758 3.835 30 20 BHED C[C@@H](NN=C1CCC[C@H]1CCCF)C(C)(C)C 793113488 GAFBBFWZIGLHNH-NEPJUHHUSA-N 242.382 3.916 30 20 BHED CC[C@@H]1CCC1=NNCc1ccccc1Cl 807964917 BCTANUNLCIJVNO-SNVBAGLBSA-N 236.746 3.606 30 20 BHED CC/C(C)=C(/C)C(=O)Nc1scc(C)c1C#N 809003990 DRYMPYHINPTVCE-NTMALXAHSA-N 248.351 3.613 30 20 BHED Clc1ccc2c(c1)C(=NOC1CCC1)CC2 812237678 BMQCHWVKVOYOMI-UHFFFAOYSA-N 235.714 3.559 30 20 BHED C=C(C)CN(C)Cc1ccc2ccccc2c1O 816564970 XBZCGFSYIAOXRO-UHFFFAOYSA-N 241.334 3.553 30 20 BHED C#CCCCCCC=NNc1ncccc1Cl 834941633 IUQWVHKLZPIOLA-UHFFFAOYSA-N 249.745 3.716 30 20 BHED C=C(C)CON=C[C@@H](C)c1ccc(F)cc1 844619199 VAWGHSQICDPERE-LLVKDONJSA-N 221.275 3.508 30 20 BHED C=C[C@H](C)ON=C[C@@H](C)CCc1ccccc1 844621038 BZMNRILCKDTLBB-KBPBESRZSA-N 231.339 3.832 30 20 BHED CC(=NNc1ccccn1)c1ccccc1Cl 916276392 ZMFJNLPDILHITE-UHFFFAOYSA-N 245.713 3.571 30 20 BHED CCCCCC(C)=NNCc1ccc(OC)cc1 917547207 KQXJNSNASOHXJN-UHFFFAOYSA-N 248.370 3.741 30 20 BHED CCCCCCCC(=O)N1CCC[C@@H]1C(C)C 920466373 KFWJSLCMISNKQF-CQSZACIVSA-N 239.403 3.994 30 20 BHED CC(=NOC(C)(C)C)c1ccc(Cl)s1 1319805741 XECISGIWEIVHGA-UHFFFAOYSA-N 231.748 3.941 30 20 BHED C=CCCN(C)c1cc(C)c2ccccc2n1 1320609224 WQCPEJZZOGJPSP-UHFFFAOYSA-N 226.323 3.556 30 20 BHED C=CCC[C@@H](NCCCC(F)F)c1ccco1 1333150501 RPODGTWVROPRFE-LLVKDONJSA-N 243.297 3.922 30 20 BHED CCOc1ccc(C#N)cc1NCCC(C)(C)C 1462071062 NEROYACEUPXPRF-UHFFFAOYSA-N 246.354 3.805 30 20 BHED C=C(C)CCC(C)=NNc1cccc(C(=O)O)c1 1776038225 YDLQRVYGTWQNCI-UHFFFAOYSA-N 246.310 3.529 30 20 BHED Cc1ccc(C)c(/C=C/C(=O)c2cccnc2)c1 7739472 YTEMCSSISGARGN-BQYQJAHWSA-N 237.302 3.595 30 20 BHED CCN(CCC#N)Cc1ccc(C(C)C)cc1 42454434 BHAXTWKPLCFELT-UHFFFAOYSA-N 230.355 3.546 30 20 BHED C=CCCC(=O)N[C@H](c1ccccc1C)C(C)C 112191387 ZCCIUVZNSRRHHK-INIZCTEOSA-N 245.366 3.775 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc(C(F)(F)F)cc1 119318369 PRPBAZQXDKAJBC-VHSXEESVSA-N 243.272 3.931 30 20 BHED Cc1ccccc1[C@H](NCCCC#N)C(C)(C)C 180093803 DXPGSKPEGPQRAB-HNNXBMFYSA-N 244.382 3.976 30 20 BHED CC[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H](C#N)C2)C1 185840653 SAYOZWZYYFSZCW-CBBWQLFWSA-N 234.387 3.627 30 20 BHED CCC(CC)(CC)CN[C@H]1CCC[C@@H](C#N)C1 185859045 JIQLRBHWGASXOE-KGLIPLIRSA-N 236.403 3.875 30 20 BHED C=CCCCCCn1ccc(C(F)(F)F)n1 194360409 UQQYCTYIWBDGMB-UHFFFAOYSA-N 232.249 3.648 30 20 BHED N#C[C@@H]1CC[C@H](Sc2cccs2)C1 278667434 XOZNBPYCOYJUGT-BDAKNGLRSA-N 209.339 3.532 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccsc1Cl 294886899 LJPBWWZMVWRXBV-UHFFFAOYSA-N 243.759 3.942 30 20 BHED CC(C)[C@H](C)Sc1ccc(Cl)c(C#N)n1 301604852 XTLPIJPCNNCBQU-QMMMGPOBSA-N 240.759 3.743 30 20 BHED C=CCCCCNc1cc(C(C)=O)ccc1C#N 302234394 DJDPNLDMYRGTLN-UHFFFAOYSA-N 242.322 3.529 30 20 BHED CCCCCCCCN[C@H]1CSC[C@@H]1C 308870585 SCCGOEVRUDNXDR-STQMWFEESA-N 229.433 3.688 30 20 BHED C=C(CC)CN[C@H](C)c1ccc(F)c(C)c1 309767665 JUZHSXNXQOLNHU-GFCCVEGCSA-N 221.319 3.751 30 20 BHED C=CCCSCc1nc(-c2ccccc2)no1 339092930 VYUNIKDVHFRXNK-UHFFFAOYSA-N 246.335 3.546 30 20 BHED C/C=C\CSCc1cccc(C#N)c1F 340891623 HFMUOSAGYNACLG-IHWYPQMZSA-N 221.300 3.507 30 20 BHED C=CCCCCNCc1ccc(Cl)s1 389207728 HGCIGFVNNKJFQL-UHFFFAOYSA-N 229.776 3.847 30 20 BHED CC(C)(C#N)CCCCN1CCC=C(Cl)C1 404447641 BFZFPCQUYVEOMQ-UHFFFAOYSA-N 240.778 3.535 30 20 BHED CC(C)CC[C@@H]1CCC[C@@H]1N[C@H](C)CCC#N 411617576 UHEBDFBDZMOGID-ILXRZTDVSA-N 236.403 3.873 30 20 BHED C=C(C)C(C)(C)C(=O)N1CC=C(C(C)(C)C)CC1 424745857 DEQIDQXADTYEFP-UHFFFAOYSA-N 249.398 3.794 30 20 BHED CC[C@H](c1ccccc1)N(C)CC(C)(C)C#N 433285443 HWGHZYCKCPVQRB-CQSZACIVSA-N 230.355 3.619 30 20 BHED C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H](C(C)C)C1 448905417 APAFWVJIERTKGV-OLZOCXBDSA-N 237.387 3.530 30 20 BHED C=CCCCC[C@H](C)NC[C@@H]1CCC[C@@H]1OC 449199980 CXQLKFGUEIZMOH-KKUMJFAQSA-N 239.403 3.526 30 20 BHED C=CCC1(CNCc2ccc(C)cn2)CCCC1 449606427 QRKBDQOQKQFHGR-UHFFFAOYSA-N 244.382 3.616 30 20 BHED C=C(C)CN(C)C(=O)c1sccc1C(C)C 479216992 NWIWIKJCSQPPJS-UHFFFAOYSA-N 237.368 3.520 30 20 BHED C=C(C)CN(C)Cc1ccc(-c2ccccc2)o1 497179842 LVTFHOYKJMZEFZ-UHFFFAOYSA-N 241.334 3.955 30 20 BHED C=C(C)CSCCCOc1ccc(F)cc1 497344708 MGVRUEVIBJCIMU-UHFFFAOYSA-N 240.343 3.904 30 20 BHED CC(C)CCCNC1(c2cccc(C#N)c2)CC1 558782910 SGBZBDPKUMGOOB-UHFFFAOYSA-N 242.366 3.573 30 20 BHED CC[C@@H](CC#N)N[C@H]1CCc2ccc(Cl)cc21 574581585 OXFZLGCJVYFEQF-JSGCOSHPSA-N 248.757 3.609 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@H]1CCC(C)=C(C)C1 575804344 MOPXCGLSLQBDKL-CABCVRRESA-N 249.398 3.984 30 20 BHED C[C@@H](CCC#N)CNC1(c2ccccc2)CCC1 602533900 QNSKIGBLCXOMJX-AWEZNQCLSA-N 242.366 3.595 30 20 BHED Cc1ccc(F)c(CN(C)C[C@H](C)CCC#N)c1 602634588 SRZNRZYGROFVBZ-CYBMUJFWSA-N 248.345 3.506 30 20 BHED C[C@@]1(c2ccccc2)C[C@@H]1Nc1ccc(C#N)cc1 610280489 SPPISCHOVKYVRI-IRXDYDNUSA-N 248.329 3.700 30 20 BHED C=CC[C@H]1CCCN(Cc2ccsc2)C1 661384666 KGNZGRWKLHNYQP-LBPRGKRZSA-N 221.369 3.536 30 20 BHED CC(=NNc1cc(C)ccc1C)c1cncs1 734745619 PWPOIWWTNHUQNX-UHFFFAOYSA-N 245.351 3.596 30 20 BHED C=CCCCOC(=O)c1ccccc1SC 735527877 LCRGTOYWQOXUCE-UHFFFAOYSA-N 236.336 3.532 30 20 BHED CC[C@@H]1CCC[C@@H](/N=C\c2ccccc2O)C1 740763211 BZZHENPWYHIBOD-QVIPLJFQSA-N 231.339 3.780 30 20 BHED CCON=C1C[C@@H](c2ccccc2)C[C@@H](C)C1 749859413 QDFLEVIENXONNR-OCCSQVGLSA-N 231.339 3.983 30 20 BHED CC(CC1CCC1)=NNCCc1ccccc1F 764724744 ZSXPWFRQXWKMQG-UHFFFAOYSA-N 248.345 3.524 30 20 BHED C#CCN[C@@H](CC(C)(C)C)c1ccc(F)cc1 775132666 AGYLILMMHKXIKC-AWEZNQCLSA-N 233.330 3.526 30 20 BHED C#CC[C@@H](N[C@@H](CC)CCC)c1ccccc1 776169169 DVOJHJVNPJCNSG-JKSUJKDBSA-N 229.367 3.919 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)C[C@H]1C 779914036 SDNVZCQTJKLBIB-RRFJBIMHSA-N 249.398 3.511 30 20 BHED Cc1cccnc1NN=C1CCC2(CC1)CC2 792642951 OJYKDPJYVADGAE-UHFFFAOYSA-N 229.327 3.512 30 20 BHED CC[C@@H](C)CON=C(C)c1sccc1OC 793159623 PQGGDQNEGLYXGJ-SECBINFHSA-N 241.356 3.543 30 20 BHED C=CCCCCCCCNC(=O)C1(C)CCC1 811590064 NYZKEKNIBWTTSO-UHFFFAOYSA-N 237.387 3.819 30 20 BHED CCOc1ccc(NN=C2CC[C@H]2CC)cc1 814983499 LJWWIJIGAKPAIP-LLVKDONJSA-N 232.327 3.673 30 20 BHED CCCCCCCCN[C@H](C)c1c[nH]ccc1=N 817914540 ZNQSJWSWNKGVEK-CYBMUJFWSA-N 249.402 3.505 30 20 BHED CC[C@@H]1CCCCC1=NN[C@@H](C)c1ccncc1 819816862 QRZPQQQPAILRPU-QWHCGFSZSA-N 245.370 3.688 30 20 BHED CC1(C)CCC[C@H](CNc2ncccc2C#N)C1 1163512889 VPJAUPXZGGEOBJ-LBPRGKRZSA-N 243.354 3.582 30 20 BHED C=C[C@H](COC)N[C@H](C)c1ccc(C(C)C)cc1 1255020103 XWCWWYSCDRLQIW-CZUORRHYSA-N 247.382 3.662 30 20 BHED Cc1cc(CSCCCC#N)cs1 1339182209 CGSLYTXMXHQYQJ-UHFFFAOYSA-N 211.355 3.594 30 20 BHED C=C(CC)C(=O)N1CCCCC[C@H]1c1ccco1 1519541947 XFEYFTRHVXSYAL-ZDUSSCGKSA-N 247.338 3.690 30 20 BHED C[C@H](CCC#N)CNC[C@@H]1CCC[C@@H](C)[C@H]1C 1659009263 JFYOTVOJDYQKLR-TUVASFSCSA-N 236.403 3.588 30 20 BHED CCSc1ccc(C#N)c(C(F)(F)F)c1 34960782 MAMOLMBMGBSHMT-UHFFFAOYSA-N 231.242 3.689 30 20 BHED CCc1ccc(CNc2cc(C#N)ccc2C)o1 51725095 AOIGGRKRSGZIMM-UHFFFAOYSA-N 240.306 3.634 30 20 BHED Cc1ccsc1/C=C1/Cc2ccccc2C1=O 104375261 DSNSUKZGVLADOZ-XFXZXTDPSA-N 240.327 3.879 30 20 BHED CC[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 118393005 LKNPWPFXGUSAQJ-KBPBESRZSA-N 242.366 3.741 30 20 BHED C=C(C)CCN[C@@H]1CCCc2ccccc21 168960156 ILEVTJDZBRTQMD-OAHLLOKOSA-N 215.340 3.620 30 20 BHED C=CCCCC(=O)N1CCCc2ccc(C)cc21 177842988 IWNDTYVPHOMGIJ-UHFFFAOYSA-N 243.350 3.631 30 20 BHED Cc1cccc2c1[C@H](C)C[C@H]2NCCCCC#N 179418831 GFGBULKOFMZXCS-UKRRQHHQSA-N 242.366 3.827 30 20 BHED C#CCCCN[C@@H](C)c1cc2ccccc2s1 184374206 NGMGJVZQERVMSL-LBPRGKRZSA-N 243.375 3.965 30 20 BHED CCCC[C@@H](CCC)Nc1cc(C#N)ccn1 226032293 OKMBFNSKIGDFES-CYBMUJFWSA-N 231.343 3.724 30 20 BHED N#Cc1csc(/C=C\C(=O)c2ccccc2)c1 255359394 SYBFWECOHSVRSP-SREVYHEPSA-N 239.299 3.516 30 20 BHED C=CCC[C@@H](NCCC=C(C)C)C1CC1 309085726 XEMUBVIUKYPMSC-CQSZACIVSA-N 207.361 3.677 30 20 BHED Cc1c(C#N)cccc1NC(=O)CCC(C)(C)C 331204840 SCHLVVSKIZULNJ-UHFFFAOYSA-N 244.338 3.632 30 20 BHED C=CC[C@H](C)N[C@@H]1CCc2c(F)ccc(F)c21 337656864 GIFPCMFLAVEFEP-TVQRCGJNSA-N 237.293 3.506 30 20 BHED Cc1ccc([C@@H](C)N(C)CCCC#N)c(C)c1 340638931 YOGYXFBACPWLKH-CQSZACIVSA-N 230.355 3.600 30 20 BHED CCN(CC[C@@H](C)F)[C@@H](C)c1ccc(C#N)cc1 351843827 IROYQYILMSHRTL-OLZOCXBDSA-N 248.345 3.689 30 20 BHED C=CCC(C)(C)CN[C@H]1CCC12CCCC2 378847690 BAMOMSVVBJMCDH-ZDUSSCGKSA-N 221.388 3.901 30 20 BHED C=C(C)CNc1cccc(C2CCC2)c1 380116480 POQWILVRJCZWDN-UHFFFAOYSA-N 201.313 3.942 30 20 BHED C=CCC[C@@H](CCC)N[C@H]1CCC[C@H]1F 382146437 NYMPVWXUNMCAOE-UPJWGTAASA-N 213.340 3.602 30 20 BHED CC[C@@H](NCC(C)(C)CC#N)c1ccsc1 414162882 HXCBNXSZTVBQJX-GFCCVEGCSA-N 236.384 3.729 30 20 BHED CC[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 426995160 NDDFKMOGHBAXQN-HNNXBMFYSA-N 247.769 3.566 30 20 BHED C=CCCCOc1ccc(-c2nncs2)cc1 439192088 SLIDKHOAMUVNNS-UHFFFAOYSA-N 246.335 3.550 30 20 BHED C=C[C@@H](C)NCc1ccc(C(F)(F)F)cc1C 442987798 DCUZSADFYFPDNO-SNVBAGLBSA-N 243.272 3.678 30 20 BHED C[C@H](NCCC(C)(C)C#N)[C@H]1CCC[C@@H](C)C1 452055406 BOQGTEKMCSFBNT-RDBSUJKOSA-N 236.403 3.731 30 20 BHED C=CCN(C(=O)[C@@H](C)C1CCC1)c1ccccc1 459930447 KRHAQORAEBBPGR-ZDUSSCGKSA-N 243.350 3.642 30 20 BHED C=CCCCCCN(C)C(=O)C[C@H](C)CC 479993640 PTPWDXOLIFZXBO-CYBMUJFWSA-N 225.376 3.627 30 20 BHED C=CCC(C)(C)C(=O)N1CCCC(C)(C)CC1 515316973 FVISDXYLOKZZPV-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CC1CCN([C@H]2CCCc3ccccc32)CC1 600679937 JCQMPAABUARHNY-KRWDZBQOSA-N 241.378 3.962 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H](C)c1ccsc1 669862209 BANZMYRFNRVSKI-NSHDSACASA-N 249.379 3.694 30 20 BHED C=CCCOC(=O)C[C@@H](C)C1CCCCC1 729074340 SVOILUUHOSFLCA-GFCCVEGCSA-N 224.344 3.712 30 20 BHED C=CCCN1CCC[C@H]1c1ccc(F)c(F)c1 739915505 PWPBEYVONNMPAG-AWEZNQCLSA-N 237.293 3.678 30 20 BHED CCCC(CC)=NNc1nccnc1C(C)C 773077182 DBPSYCQYUZIXLK-UHFFFAOYSA-N 234.347 3.578 30 20 BHED C=C(C)CN(C)Cc1cc(C(C)C)c(C)cc1O 777961053 UICSTJPZAMETJE-UHFFFAOYSA-N 247.382 3.832 30 20 BHED COc1ccc(NN=C[C@H]2CCCC[C@H]2C)cc1 783856578 DPAOMLZVAPAMPR-CHWSQXEVSA-N 246.354 3.919 30 20 BHED C=CCCC(=O)Oc1ccc(OCC(C)C)cc1 789529111 UHCSDWKCLFYEKX-UHFFFAOYSA-N 248.322 3.593 30 20 BHED CC(=NN[C@H](C)C(C)(C)C)C1CCSCC1 793110786 CAFRIQJHAZFWME-LLVKDONJSA-N 242.432 3.530 30 20 BHED C#C[C@H](NC/C(C)=C/c1ccccc1)C(C)(C)C 809780950 BIPPEFUROFHFBU-GRNBYLDVSA-N 241.378 3.727 30 20 BHED C=CCCCCCCCNC(=O)c1ccc(C)o1 810764899 TVLUAQXSVULYQF-UHFFFAOYSA-N 249.354 3.844 30 20 BHED C=CCCCCNC(=O)c1ccccc1C(C)C 832330910 XALBFFLPIFPQMW-UHFFFAOYSA-N 245.366 3.896 30 20 BHED CC(C)ON=Cc1cscc1C(F)(F)F 835002659 RCZUUVRPEQAURL-UHFFFAOYSA-N 237.246 3.526 30 20 BHED C[C@@H]1CCCCCC1=NNc1ncccc1F 844595501 HOCNAHHJDMXHPP-SNVBAGLBSA-N 235.306 3.589 30 20 BHED C[C@@H]1CCCCN1N=C1CCC12CCCC2 853379392 IMWHXLPKRKFUPO-GFCCVEGCSA-N 220.360 3.571 30 20 BHED C=CC(C)(C)CC(=O)Nc1ccc(C)c(O)c1C 901065621 CEGWMGUKUNGTQU-UHFFFAOYSA-N 247.338 3.550 30 20 BHED N#CCC1(CSCc2ccsc2)CC1 901840536 VJXWSSLWAWAILN-UHFFFAOYSA-N 223.366 3.675 30 20 BHED CCCCN1CCC(c2ccc(C#N)cc2)CC1 1201717325 NOQPPACPCDYTQY-UHFFFAOYSA-N 242.366 3.538 30 20 BHED C=C[C@@H](COC)N[C@H](C)CCC1CCCCC1 1255019871 UYOVATXEEDOECM-HIFRSBDPSA-N 239.403 3.526 30 20 BHED C=CCC1(c2nnc(CC(C)(C)C)o2)CCC1 1348920467 OJXSOEHNXMAZMJ-UHFFFAOYSA-N 234.343 3.656 30 20 BHED COc1cc(OC[C@H](C)C(C)(C)C)ccc1C#N 1613745815 JAZOLJRKJWVTAA-NSHDSACASA-N 247.338 3.628 30 20 BHED CCC[C@H]1CCCN([C@@H](C#N)c2ccccc2)C1 1642189056 MKMZRNLNRIODLX-HOCLYGCPSA-N 242.366 3.763 30 20 BHED C#Cc1cccc(NCc2ccc(C)cc2)c1 19876810 GJKSGTXIGPUWTP-UHFFFAOYSA-N 221.303 3.588 30 20 BHED C=CCOc1cccc(NC(=O)CCCCC)c1 55714356 WITONKXYQHTGMZ-UHFFFAOYSA-N 247.338 3.770 30 20 BHED C=CC[C@H](C)N[C@H](CC)c1cccs1 161640534 WFEZAIHCZFMTBX-WDEREUQCSA-N 209.358 3.753 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc(OCC)cc1 163321898 OPCHNLYLTBAQEQ-QWHCGFSZSA-N 233.355 3.701 30 20 BHED C[C@H]1CN(CC(C)(C)CCC#N)c2ccccc21 180675969 FYZIRFSKCNKEIC-ZDUSSCGKSA-N 242.366 3.940 30 20 BHED O=C(/C=C\c1ccccc1)c1cccc(F)c1F 216271862 QLNKRTNKCNVFLY-KTKRTIGZSA-N 244.240 3.861 30 20 BHED CC[C@@H](C)CN(C)CCCCC(C)(C)C#N 233827089 BJANFBOBTINSAY-CYBMUJFWSA-N 224.392 3.684 30 20 BHED C[C@H](N[C@H]1CCC[C@@H]1C)c1ccc(C#N)c(F)c1 271982100 XEBLFEKYAODMQL-PGUXBMHVSA-N 246.329 3.537 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1cnn(C(C)C)c1C 281468483 FDOXYZHVZQSUED-GXTWGEPZSA-N 249.402 3.778 30 20 BHED C=C(CC)COc1cccc2cccnc12 303520077 KZXWXRRWWJOTBQ-UHFFFAOYSA-N 213.280 3.580 30 20 BHED C=CCCCN[C@H](C)c1c(C)cccc1C 309424597 KEZSHCNWWSMHFD-CQSZACIVSA-N 217.356 3.920 30 20 BHED C=CCCCCN[C@@H](C)Cc1ccc(F)cc1 310405809 VQMRSYWLXHSKTF-ZDUSSCGKSA-N 235.346 3.703 30 20 BHED CC[C@H](C)[C@@H](C)Nc1cccc(CC#N)c1 313479293 NGMBRWAPVXOOBO-NWDGAFQWSA-N 216.328 3.599 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CC[C@@H](C)C2(CCC2)C1 353451304 WPIURAPHWXATJZ-HIFRSBDPSA-N 249.398 3.627 30 20 BHED N#CCCCN1CCC[C@H]1CCC1CCCC1 361835543 AXEVNSYJRFOAEG-HNNXBMFYSA-N 234.387 3.725 30 20 BHED C=CCCC[C@@H](C)Nc1ncccc1Cl 389988828 NFNUZGDETPGMQM-SNVBAGLBSA-N 224.735 3.892 30 20 BHED C=CC[C@@H](CC)NCc1ccc2cc[nH]c2c1 393743314 DAYZYBBNKIXPRJ-CQSZACIVSA-N 228.339 3.612 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccc2c(c1)CCO2 393777078 NUMORUOGCXYKPF-DOMZBBRYSA-N 245.366 3.627 30 20 BHED CCN(CCCC#N)c1ccc(Cl)c(F)c1 440607904 GOCQWVNJONXKQJ-UHFFFAOYSA-N 240.709 3.609 30 20 BHED Cc1c(Cl)cnc(N[C@H]2CC[C@@H](C)C2)c1C#N 444003658 OEAIZLXYGDIMQZ-SCZZXKLOSA-N 249.745 3.516 30 20 BHED Clc1cccc(C#CCN2CCCCCC2)c1 448532564 NOELHPZOPZWYIY-UHFFFAOYSA-N 247.769 3.568 30 20 BHED C=C[C@@](C)(CC)C(=O)N(C)c1cc(C)cc(C)c1 467925786 FLHBWTYBYANUNG-INIZCTEOSA-N 245.366 3.869 30 20 BHED C=CCCCC(=O)NC1CCC(CCC)CC1 479562296 XUFSNVXAOGTXFB-UHFFFAOYSA-N 237.387 3.818 30 20 BHED C=C(C)CSCCCc1ccccc1OC 502477357 LKQSBKNCBASSJD-UHFFFAOYSA-N 236.380 3.937 30 20 BHED C=CCN(CC=C)C(=O)[C@@H](C)CC1CCCCC1 510108462 DKXHXFKSKDUQHY-AWEZNQCLSA-N 249.398 3.794 30 20 BHED C=C(C)CNCc1ccccc1OC1CCCC1 512370402 QIRXHBRVZPAMNW-UHFFFAOYSA-N 245.366 3.674 30 20 BHED C=CCCCCN1CCC[C@H]1c1cccn1C 521543307 TYTLKIHDROZFDZ-HNNXBMFYSA-N 232.371 3.518 30 20 BHED C=CCN1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 523448293 RIXNNLJWZHCNGG-GOEBONIOSA-N 229.367 3.954 30 20 BHED Cc1cn(Cc2cc(Cl)ccc2F)cc1C#N 530325642 QJWWIOAIIWZQEM-UHFFFAOYSA-N 248.688 3.509 30 20 BHED C=C(C)CN[C@H](c1ccc(F)cc1F)C(C)C 538224609 GBYISAMTWBZIAD-AWEZNQCLSA-N 239.309 3.828 30 20 BHED C=CCC(C)(C)CN[C@H]1CC=C(C)CC1 584366815 OAYLPRPPBNFFTC-ZDUSSCGKSA-N 207.361 3.677 30 20 BHED C[C@H]1CCCCC[C@@H]1NCC1CCC(C#N)CC1 593626256 RJFGNNSIUYTOOC-LBDPXKHJSA-N 248.414 3.875 30 20 BHED CC1C[C@@H]2CC[C@H](C1)N2CCCCC(C)(C)C#N 595856762 DWNPQQRIPSLXSO-GOOCMWNKSA-N 248.414 3.969 30 20 BHED CC(C)c1ccc(CNC[C@H](C)CCC#N)cc1 602520116 DRTLZFABLQPVJM-CQSZACIVSA-N 244.382 3.839 30 20 BHED C=CCCNC1(c2cccc(C)c2)CCCC1 606897854 JICCAOQIRRGNLU-UHFFFAOYSA-N 229.367 3.930 30 20 BHED C=CCCC(=O)N(C)C[C@@H](C)C1CCCCC1 628982280 FRKRNAIJWQMFRS-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=CC[C@H](CC)NC(=O)Nc1ccsc1C 640469439 AWGOKYVPWVYIHJ-JTQLQIEISA-N 238.356 3.533 30 20 BHED Cc1c(Cl)cccc1Oc1ccc(C#N)cn1 702655024 QEAJPKJNRJSHJO-UHFFFAOYSA-N 244.681 3.707 30 20 BHED C=CC[C@H](C)NC(=O)Nc1ccc(CCC)cc1 735171180 WKIKVWFVUXUPAA-LBPRGKRZSA-N 246.354 3.725 30 20 BHED C=C(Cl)Cn1cc(-c2ccc(C)cc2)cn1 735982322 VMDYIOZYTMBTSQ-UHFFFAOYSA-N 232.714 3.611 30 20 BHED C#CCCN1CCC[C@@H]1c1ccccc1Cl 752856005 NSQLNVASFGYSDE-CQSZACIVSA-N 233.742 3.500 30 20 BHED CCCCCCCCNC(=O)/C=C(\C)C1CC1 754850920 QAOIPIFHCMLZBA-OUKQBFOZSA-N 237.387 3.819 30 20 BHED C#CCCCN1CCc2ccccc2[C@@H]1C(C)C 766906055 PJLFBZCSOPQAHO-KRWDZBQOSA-N 241.378 3.655 30 20 BHED CC(=NN[C@H]1C[C@H]2CC[C@H]1C2)C1CCCCC1 774609311 VBBOKTFHFLFCIO-QEJZJMRPSA-N 234.387 3.721 30 20 BHED C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1ccccc1 784878510 NIVCLPQOMLQVAK-WFASDCNBSA-N 232.323 3.893 30 20 BHED CCc1cccc(C)c1NN=Cc1ccco1 799493944 WNICZWBZWNREAU-UHFFFAOYSA-N 228.295 3.596 30 20 BHED CCCC[C@H](CCC)OC(=O)[C@](C)(C#N)CC 803788235 OISDURGMVWIJMH-JSGCOSHPSA-N 239.359 3.828 30 20 BHED C#CCCN[C@H](C)c1ccc(F)c2ccccc12 808768681 OJHVBDRZFBMVHK-GFCCVEGCSA-N 241.309 3.653 30 20 BHED CCC(=NOC1CCC1)c1ccc(F)cc1 812235014 HRCPEXLFIDZXRP-UHFFFAOYSA-N 221.275 3.509 30 20 BHED CC(C)[C@@H]1CC(=NN[C@H](C)C(C)(C)C)CS1 814938532 NLSPHYBXMPMKKQ-PWSUYJOCSA-N 242.432 3.528 30 20 BHED C=CCC(C)(C)c1noc([C@H](F)C(C)C)n1 815705018 WEYOLHXGPZTQFI-SECBINFHSA-N 226.295 3.590 30 20 BHED C[C@H]1CCCCCC1=NN[C@@H](C)c1ccncc1 844602481 SGVRNGFUKLSOBN-STQMWFEESA-N 245.370 3.688 30 20 BHED CC[C@H](C)NN=C(C)c1ccccc1SC 1321217236 CMLPEQSEMQEIBD-JTQLQIEISA-N 236.384 3.521 30 20 BHED CCC1(CNc2cccc(CC#N)n2)CCCC1 1321328646 IGKJIMMRZNCNNW-UHFFFAOYSA-N 243.354 3.530 30 20 BHED CC(C)CCNc1nc2ccccc2cc1C#N 70218004 ZUFBOPLLDDCAHN-UHFFFAOYSA-N 239.322 3.564 30 20 BHED CC1(C)CCC(Nc2cccc(C#N)c2)CC1 79619920 RBGXSPCFHXCPFM-UHFFFAOYSA-N 228.339 3.939 30 20 BHED C=C(CN[C@@H](CC)C(C)C)c1ccccc1 132310039 QEEFZJZRFFUGIW-HNNXBMFYSA-N 217.356 3.724 30 20 BHED CCCCN(C)Cc1ccccc1C(C)(C)C#N 135095167 DSZUKFWYXUUEGD-UHFFFAOYSA-N 244.382 3.720 30 20 BHED C=C(C)c1ccc(OCC(F)(F)F)cc1 144121355 BUCXOZDIBBSDBC-UHFFFAOYSA-N 216.202 3.661 30 20 BHED Cc1ccc(C#N)c(N[C@@H]2CCCC(C)(C)C2)n1 149826708 QHGJGADXPDSUES-CYBMUJFWSA-N 243.354 3.642 30 20 BHED CC#CCCN[C@H]1CCCC[C@@H]1c1ccccc1 158350369 HJTLVFUEBHZWCV-SJORKVTESA-N 241.378 3.716 30 20 BHED CCN(CC1CCC1)[C@H](C)c1ccc(C#N)cc1 173561999 NOZIXHCIXQYLHP-CYBMUJFWSA-N 242.366 3.741 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1cnn(C(C)C)c1 182185133 OHTHIZQBFRQNNC-UONOGXRCSA-N 249.402 3.859 30 20 BHED C=CCCCN[C@@H](C)[C@H](C)c1ccccc1 183373537 GDGUYOBFPSQPOW-KBPBESRZSA-N 217.356 3.734 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H](C)CCC(C)C 190037331 KNTVWMDFZJRFAD-TZMCWYRMSA-N 225.376 3.530 30 20 BHED C/C=C/CS[C@H](C)c1cccc(C#N)c1 190796369 DTTIRTXJBVPNIF-PGLGOXFNSA-N 217.337 3.929 30 20 BHED C[C@H](SCC1CC1)c1cccc(C#N)c1 190811090 NFZAGIQYQNYZSW-JTQLQIEISA-N 217.337 3.762 30 20 BHED CC[C@H](C)CSCc1cc(F)ccc1C#N 234017062 UDXMGCKYWYIKFO-JTQLQIEISA-N 237.343 3.977 30 20 BHED CN(CCCCC(C)(C)C#N)c1ccccc1F 234273613 HCTIGIAOURNMQT-UHFFFAOYSA-N 248.345 3.982 30 20 BHED Cc1ccoc1C(=O)/C=C\c1cccc(F)c1 255882805 ALERHQVFOGPJEV-WAYWQWQTSA-N 230.238 3.623 30 20 BHED C=CCC[C@@H](CCC)N[C@H](C)c1cnn(CC)c1 294961796 WQSNUTUEKMIXKS-UKRRQHHQSA-N 249.402 3.689 30 20 BHED C=CC[C@H](C)[C@H](C)NC[C@H]1CC[C@H](C)C1 308828688 FKRKIPKPGUPZPW-XUXIUFHCSA-N 209.377 3.613 30 20 BHED C=CC[C@@H](CC)N[C@H]1CCC12CCCC2 309212603 SZYJWOMJKGJXKX-OLZOCXBDSA-N 207.361 3.654 30 20 BHED C=CCC[C@@H](CCC)NCC1(SC)CCC1 310025333 OZDNESCZVNADAO-CYBMUJFWSA-N 241.444 3.997 30 20 BHED C=CCC[C@@H](CC)N[C@@H](C)CC(F)(F)F 389949671 RTHORWFUSLBOQB-VHSXEESVSA-N 223.282 3.662 30 20 BHED CO[C@@H](CSc1cccc(C#N)c1)CC(C)C 416918808 JHXSWHJETFLCNX-CYBMUJFWSA-N 249.379 3.711 30 20 BHED C=CCC(C)(C)c1noc([C@@H](C)C2CCC2)n1 420506737 VZZUXBRMOIWXRF-JTQLQIEISA-N 234.343 3.827 30 20 BHED C=C1CCN(c2nc3cccc(F)c3s2)CC1 450324303 NYASHVFHRXJJFY-UHFFFAOYSA-N 248.326 3.592 30 20 BHED C=C(CC)CNC(=O)N(CCCCC)C(C)C 459083480 SRWHLXBPNBMNGX-UHFFFAOYSA-N 240.391 3.563 30 20 BHED CCC[C@H](N[C@H]1CCC[C@@H](C#N)C1)C1CCC1 459744264 DLAZXSJYQNADKK-SNPRPXQTSA-N 234.387 3.627 30 20 BHED C=CCCN(C)[C@H]1CCc2c(Cl)cccc21 467298954 QNTWQUPZINCBGV-AWEZNQCLSA-N 235.758 3.835 30 20 BHED C=CCCCCCN[C@@H](CC)C1CCOCC1 488160499 JMKBYNOGIPUOGI-HNNXBMFYSA-N 239.403 3.528 30 20 BHED CC(C)C1CCC(CN[C@@H]2CC[C@@H](C#N)C2)CC1 511990544 OPFSLOQVUQHSJT-GYTBAZASSA-N 248.414 3.731 30 20 BHED C=CCCCCSCCc1cnn(CC)c1 519121192 CEWNMHDZDXOMGP-UHFFFAOYSA-N 238.400 3.535 30 20 BHED CC[C@@H](NCc1ccc(F)c(C#N)c1)C(C)(C)C 538390127 OBHWTCCKUXSHEW-CQSZACIVSA-N 248.345 3.612 30 20 BHED C=CCCCN1CC[C@H](c2ccccc2F)C1 555583130 PPIBCCSEADCNOC-ZDUSSCGKSA-N 233.330 3.581 30 20 BHED C=CCCCCCN(C)CCc1cccc(C)n1 573482290 HVOXREOJABRZIB-UHFFFAOYSA-N 246.398 3.611 30 20 BHED CCO[C@H]1CC(=NNc2cccc(C)c2)C1(C)C 736427737 CZZNDECYIIXBEA-AWEZNQCLSA-N 246.354 3.598 30 20 BHED C=C(C)CNc1ccc(F)cc1OCC1CC1 740874069 XMNGTWURYROJCU-UHFFFAOYSA-N 235.302 3.603 30 20 BHED CC(C)CON=CC[C@H](C)c1ccccc1 755800574 CAMMMYVTGFZTBI-ZDUSSCGKSA-N 219.328 3.839 30 20 BHED C#CC[C@H](N[C@@H]1CCCC[C@@H]1C)c1ccccc1 773113184 CDTUGGVXZSJJRG-UAGQMJEPSA-N 241.378 3.919 30 20 BHED C/C=C(\CC)C(=O)Nc1sc(C)c(C)c1C#N 789603462 DSQFBNJZSMMOME-BJMVGYQFSA-N 248.351 3.531 30 20 BHED CC[C@H]1CC[C@H](C)CC1=NNC1CCCC1 797402454 BUOBSQRLNUVVSA-RYUDHWBXSA-N 222.376 3.721 30 20 BHED CCON=C(C)Cc1cccc(C(F)(F)F)c1 799107353 WTNFNZYWUQYJKM-UHFFFAOYSA-N 245.244 3.660 30 20 BHED CCCC[C@@H](CC)CSCCO[C@@H](C)C#N 802749632 IOXLGJOZNYYSOB-QWHCGFSZSA-N 243.416 3.865 30 20 BHED CCON=C1[C@H]2CCC[C@@H]1Cc1ccccc1C2 807961379 ODHZNMQKTMIVRG-GASCZTMLSA-N 243.350 3.594 30 20 BHED CCC(COC)=NNc1c(C)cccc1C(C)C 812232460 HWVLWSUMOFHPRZ-UHFFFAOYSA-N 248.370 3.943 30 20 BHED C=C1CCN(C(=O)c2ccccc2C(C)C)CC1 826549654 KVVKAUSPIKKFLZ-UHFFFAOYSA-N 243.350 3.602 30 20 BHED C=CCCCCCCNC(=O)[C@H](C)C1CCC1 837651002 GMDIGFUFSWNMDD-CYBMUJFWSA-N 237.387 3.675 30 20 BHED C#CCCCCC(=O)NC[C@H]1CCCC[C@H]1CC 1324465579 GKUSTVKLTBUFBC-HUUCEWRRSA-N 249.398 3.513 30 20 BHED CC[C@H](NC[C@@H](C)CCC#N)c1ccc(F)cc1 1330639912 ALAVDAKGSCSINJ-WFASDCNBSA-N 248.345 3.806 30 20 BHED C=CCN[C@@H](c1ccccc1)c1ccc(F)cc1 19875812 YZLVWLGPEVJJIF-INIZCTEOSA-N 241.309 3.691 30 20 BHED C[C@H](NCCC1CCCC1)c1ccc(C#N)cc1 37739401 TXMMAUJJLFBEJI-ZDUSSCGKSA-N 242.366 3.789 30 20 BHED CC(C)(C)c1nc(-c2ccc(C#N)cc2)cs1 57366854 APQRBDQSAGZVJK-UHFFFAOYSA-N 242.347 3.979 30 20 BHED C[C@H]1CCC[C@H](N(C)c2cccc(F)c2C#N)C1 88263512 AUEGVPKAVGDMOX-RYUDHWBXSA-N 246.329 3.712 30 20 BHED C[C@@H](N[C@@H]1CCCC1(C)C)c1cccc(C#N)c1 94321630 HJCSGKBTXUCVBV-IUODEOHRSA-N 242.366 3.788 30 20 BHED CCCCCCCCCCNC1CCOCC1 107781377 JEDKBNGAMLATGY-UHFFFAOYSA-N 241.419 3.896 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCCc2ccccc21 116907839 KNJPTSOBRSQKLE-IUODEOHRSA-N 215.340 3.618 30 20 BHED C=CCCCN(Cc1cccs1)C1CC1 117872493 CTTIRECMWBIECA-UHFFFAOYSA-N 221.369 3.679 30 20 BHED C[C@@H](SCC#N)c1ccc(Cl)cc1 130025505 BPMZSMAADZMNMP-MRVPVSSYSA-N 211.717 3.658 30 20 BHED C=C[C@@H](C)N[C@H](CC)c1ccc(C)cc1 157223891 ZEQSHIWJFZEZOU-TZMCWYRMSA-N 203.329 3.610 30 20 BHED C=CCCCC(=O)Nc1cccc(OCC=C)c1 175413984 GBOSZOHXXLBGEH-UHFFFAOYSA-N 245.322 3.546 30 20 BHED C=CCCCC(=O)Nc1ccccc1CSC 186068201 COUGBZHIEFPANN-UHFFFAOYSA-N 249.379 3.844 30 20 BHED C#CCCCC(=O)NCCCCCCC(C)C 191912114 LXUUCYDMWOATDS-UHFFFAOYSA-N 237.387 3.513 30 20 BHED C[C@H]1C[C@H](C)CC[C@H]1Nc1ccc(C#N)cc1 226186988 MLWBHSLQAKLDQD-TYNCELHUSA-N 228.339 3.795 30 20 BHED CC1(CNc2nccc(C#N)c2Cl)CCCC1 232836635 BMMCMKVWRLYWDD-UHFFFAOYSA-N 249.745 3.599 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCc1cscc1C 309010923 RWAUBOLETMPXRC-ZYHUDNBSSA-N 223.385 3.747 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)Cc1ccsc1 309167901 JXDGRTSRIMAPCL-WCQYABFASA-N 223.385 3.623 30 20 BHED C=CCCCCNCc1csc(C(C)C)n1 309355260 NTBXVOVEOIJNIS-UHFFFAOYSA-N 238.400 3.712 30 20 BHED C=CCCCCN[C@H]1CCCc2c(O)cccc21 340505983 SLFIHALUBUNFCO-HNNXBMFYSA-N 245.366 3.716 30 20 BHED C[C@@H](c1ccccc1Cl)N(C)CC1(C#N)CC1 343143357 WSJODHZERCSOFT-NSHDSACASA-N 248.757 3.637 30 20 BHED C=C(C)CN(C)Cc1cc2cc(F)ccc2o1 353160997 ANFQKMAIVAKQDR-UHFFFAOYSA-N 233.286 3.580 30 20 BHED C=CCC[C@H](CC)N[C@@H]1CCCc2occc21 359914854 BWJYFMXRPNZYLG-GXTWGEPZSA-N 233.355 3.991 30 20 BHED C[C@@H]1CCC[C@H]1Nc1c(Cl)cccc1C#N 390528161 HPSAYIVJSDGRDZ-BXKDBHETSA-N 234.730 3.812 30 20 BHED C[C@@H]1CC[C@@H](C)N1CCC1(C#N)CCCCC1 411314605 FAPPVRPPYVSXHQ-ZIAGYGMSSA-N 234.387 3.723 30 20 BHED CC[C@H](N[C@H](C)CCC#N)c1ccc(C)cc1 411436696 IFUCVLKBJITWKJ-HIFRSBDPSA-N 230.355 3.728 30 20 BHED C=CCCCC(=O)N[C@@H]1CCC[C@H]1C(C)(C)C 412826214 QHFWNALPACOROR-CHWSQXEVSA-N 237.387 3.674 30 20 BHED C=CC[C@H](C)[C@H](C)Nc1ccc2c(c1)CCN2 423213365 JWLSYVODLGOMJI-RYUDHWBXSA-N 230.355 3.667 30 20 BHED CC[C@@H](F)CN[C@H](CCCC#N)c1ccccc1 433024467 CXSSZXJJGGJXCI-HUUCEWRRSA-N 248.345 3.759 30 20 BHED C[C@H](CCN[C@@H]1CC[C@@H](C#N)C1)CC(C)(C)C 442864534 CWNZPECIOBPXEV-MGPQQGTHSA-N 236.403 3.731 30 20 BHED C[C@H](CC1CCCCC1)N[C@H]1CC[C@H](C#N)C1 442874443 MCYNYCNKUQIKDM-SNPRPXQTSA-N 234.387 3.627 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 468003592 JEFYYXWJGJREGF-IJEWVQPXSA-N 249.398 3.674 30 20 BHED CC[C@H](NCc1ccc(C#N)c(C)c1)C(C)(C)C 488161242 UWMQXKNFBXNKID-HNNXBMFYSA-N 244.382 3.781 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@@H]1CC2CCC1CC2 497936304 GLVKIRFFDLWJTH-XSCHDIRWSA-N 249.398 3.674 30 20 BHED C=C1CCN([C@@H]2CCCc3ccc(F)cc32)CC1 510566493 STLKUOQVWYACTM-MRXNPFEDSA-N 245.341 3.855 30 20 BHED C=CCN1C[C@H](C)CC[C@H]1c1ccccc1 512188434 YMANLKBRUVCVIG-HIFRSBDPSA-N 215.340 3.646 30 20 BHED C=CCSCCOc1cc(C)ccc1C 522282974 KFSXQJDUEPBFOE-UHFFFAOYSA-N 222.353 3.601 30 20 BHED C=CCCC[C@@H](C)N[C@H](CC)C1CCOCC1 537309418 XQYRWYQQENCFHB-UKRRQHHQSA-N 239.403 3.526 30 20 BHED C=CC[C@H](C)N[C@H](Cc1ccc(C)cc1)C1CC1 539072397 YFXSFJHZNOOPPZ-WMLDXEAASA-N 243.394 3.870 30 20 BHED Cc1ccc([C@@H](NCCCCC#N)C2CCC2)o1 544566393 HEDVCGXMFJSRFX-HNNXBMFYSA-N 246.354 3.713 30 20 BHED C=C(C)CCSc1cccc(F)c1C#N 563440390 QDSXANJBKFAEKM-UHFFFAOYSA-N 221.300 3.756 30 20 BHED C=C(CC)CSCc1ccc(C)nc1 594558339 KFUDSRRNTGHQKW-UHFFFAOYSA-N 207.342 3.589 30 20 BHED C[C@H](CCC#N)CN(C)C(C)(C)c1ccccc1 602654767 SHFFNIJXCDUHIE-CQSZACIVSA-N 244.382 3.793 30 20 BHED C=CCCC(=O)N[C@@H](C)CCC1CCCCC1 604246254 GNBPMGXVAWWPHU-ZDUSSCGKSA-N 237.387 3.818 30 20 BHED C=CCCN(CC1CC1)C1CCCCC1 606897803 CFZGXXNFNKQNFA-UHFFFAOYSA-N 207.361 3.607 30 20 BHED C=CC[C@H](CC)NC(=O)C1[C@@H]2CCCCCC[C@@H]12 614396642 PLNNKVYDHMWUIU-BFHYXJOUSA-N 249.398 3.674 30 20 BHED CCC#C[C@@H](C)N[C@H](C)c1ccc(SC)cc1 685007359 LWWCHYNWGBHJRU-CHWSQXEVSA-N 247.407 3.861 30 20 BHED CCCCC(CC)=NNc1ccc(C#N)cc1 732924696 DQRIILJAVMKEMI-UHFFFAOYSA-N 229.327 3.926 30 20 BHED C=CCOc1cccc(C=NOC2CCCC2)c1 774604468 YDESWVYWGZKWPM-UHFFFAOYSA-N 245.322 3.545 30 20 BHED CCCC(CC)=NNc1cc([N+](=O)[O-])ccc1C 776180681 OPDDJKKGXRQRHV-UHFFFAOYSA-N 249.314 3.881 30 20 BHED CC1(C)CCCC1=NNc1ccc2[nH]ncc2c1 779817928 HGKPWSNBRFJFFZ-UHFFFAOYSA-N 242.326 3.541 30 20 BHED C#CC[C@@H](NC1CC(C)(C)C1)c1ccccc1 788593495 SGUWYONTUPSPDG-OAHLLOKOSA-N 227.351 3.529 30 20 BHED CCCCNN=C(C)C1CCC(F)(F)CC1 788711606 GDRRBNOOTVQIMF-UHFFFAOYSA-N 232.318 3.578 30 20 BHED CC[C@H](C)NN=C(CC(C)(C)C)C1CC1 790182927 GYOFKQAMECTURD-JTQLQIEISA-N 210.365 3.577 30 20 BHED COc1ccccc1CON=C1CCCC[C@H]1C 799119600 OBFBRQPHMFJSFR-GFCCVEGCSA-N 247.338 3.778 30 20 BHED C#Cc1ccc(CNCc2ccc(C)cc2C)cc1 809606758 CWVHDBZXSBLFCL-UHFFFAOYSA-N 249.357 3.575 30 20 BHED CC(CCc1cccc(F)c1)=NOCCC1CC1 814245485 URTGBHSTYGBIPM-UHFFFAOYSA-N 249.329 3.951 30 20 BHED Cc1cc(C)cc(NN=C2CC[C@H](C)C2)c1 814753706 WIVZACRDLWZMAJ-JTQLQIEISA-N 216.328 3.891 30 20 BHED C#CCCCN(C(C)C)[C@H](C)c1ccsc1 817285648 ANYWSYKRQDLJGH-CYBMUJFWSA-N 235.396 3.933 30 20 BHED CCCC(=NOCC(F)(F)F)[C@@H]1CC1(C)C 841630036 CQFSGHXTZVQVBZ-QMMMGPOBSA-N 237.265 3.768 30 20 BHED CCCCCCCC(=O)N1CCCC(F)(F)C1 844766648 OJVOIHXLBKFTED-UHFFFAOYSA-N 247.329 3.605 30 20 BHED CC(C)c1cccc([C@H](C)NCC2(C#N)CC2)c1 903108570 DJOFLQFJWBOXBW-ZDUSSCGKSA-N 242.366 3.764 30 20 BHED Cc1ccc(NN=Cc2c(F)cccc2F)cc1 916250641 QNUFAGKGLBQGAS-UHFFFAOYSA-N 246.260 3.719 30 20 BHED Cc1ccc([C@H](C)/N=C\c2ccccc2O)s1 920175260 ULTDNASEYGQTRO-GPILYODUSA-N 245.347 3.942 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1ccccc1Cl 929134379 WEHGCWMHMWXDKG-JTQLQIEISA-N 237.730 3.881 30 20 BHED C=C(CC)C(=O)Nc1ccccc1C(F)F 1263845007 WIBFDXLADYOMGR-UHFFFAOYSA-N 225.238 3.529 30 20 BHED C[C@@H](CCC#N)CN1CCC[C@H](C(C)(C)C)C1 1560785949 OXPXBIWDIXIDDT-KBPBESRZSA-N 236.403 3.684 30 20 BHED N#Cc1ccc(N2CC[C@H](c3ccccc3)C2)cc1 50266885 IAJXEBFUAKNMTR-INIZCTEOSA-N 248.329 3.552 30 20 BHED CC(C)(C#N)CCCN[C@@H]1CCCCC1(C)C 94325133 IONZRSDARCTKRR-CYBMUJFWSA-N 236.403 3.875 30 20 BHED C#CCCCCC(=O)NC1CCC(CCC)CC1 119699747 RDXPVDGWCWFACO-UHFFFAOYSA-N 249.398 3.655 30 20 BHED C=CCC[C@@H](C)N[C@H](C)c1c(F)cccc1F 135713670 KPXFXIWJNYMBIO-GHMZBOCLSA-N 239.309 3.970 30 20 BHED Cc1cccc([C@@H](NCCCC#N)C(C)(C)C)c1 180800916 PXAWSOKANNWFAK-OAHLLOKOSA-N 244.382 3.976 30 20 BHED C=CCCCN[C@H](C)[C@H](C)c1ccccc1 183373498 GDGUYOBFPSQPOW-UONOGXRCSA-N 217.356 3.734 30 20 BHED COc1cccc(C)c1NCCCC(C)(C)C#N 194562566 WVWQZMDBIIRGTR-UHFFFAOYSA-N 246.354 3.746 30 20 BHED Cc1cc(C#N)ccc1OC/C(Cl)=C\Cl 255383645 XISAPLYRPJVMSI-BJMVGYQFSA-N 242.105 3.565 30 20 BHED CC[C@H](C)CCC(=O)Nc1ccc(CC#N)cc1 284911771 BBKBNKFATNBBFG-LBPRGKRZSA-N 244.338 3.517 30 20 BHED C=C(Cl)CN1CCC(Cc2ccccc2)CC1 302797803 JIHSFEOCGFRDBX-UHFFFAOYSA-N 249.785 3.694 30 20 BHED CC(C)CC/N=C(/N)Nc1cccc(C(C)C)c1 303704314 KATVMHMYPAMKOI-UHFFFAOYSA-N 247.386 3.583 30 20 BHED C=C(C)CNc1c(C)cccc1SC 307288873 XTBFGAXUONNFME-UHFFFAOYSA-N 207.342 3.705 30 20 BHED C=C(Br)CSC1CCCC1 307386676 KMHMLFWEVFRCPG-UHFFFAOYSA-N 221.163 3.571 30 20 BHED C=CCCC[C@@H](C)NCc1ncc(Cl)s1 308817846 BBADOBXGESFWAJ-SECBINFHSA-N 244.791 3.631 30 20 BHED CCC[C@@H](N[C@@H](CC)CC#N)C1CCCC1 313395398 HMXWPHFRGBNJMR-UONOGXRCSA-N 222.376 3.627 30 20 BHED C=C(C)CCS[C@@H](C)c1cccnc1 342024955 PIYWMROJELAWMM-NSHDSACASA-N 207.342 3.842 30 20 BHED C=C(CC)CSCc1sc(C)nc1C 358632664 FUYJVSAUPLLYJV-UHFFFAOYSA-N 227.398 3.959 30 20 BHED CC#CCNc1cccc(Cl)c1OC(C)C 381155717 QBEXPJLJMDOFFO-UHFFFAOYSA-N 237.730 3.562 30 20 BHED C#CCCNc1ccc(OC(C)C)cc1Cl 381502530 PEUBFIGYVWIIDS-UHFFFAOYSA-N 237.730 3.562 30 20 BHED C=CCCCN1CCCC2(CCCC2)C1 445862891 JIMBADGOSXEXGO-UHFFFAOYSA-N 207.361 3.609 30 20 BHED CC(F)(F)CCOc1cc(Cl)cc(C#N)c1 450966994 WMKFSZHXQOBGSS-UHFFFAOYSA-N 245.656 3.636 30 20 BHED C=CCCN(C)Cc1ccc(OCC(C)C)cc1 467382215 OIFVGZARPWCAHG-UHFFFAOYSA-N 247.382 3.729 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC(C)(C)C1 467877151 DFIYDQHGVZZVGL-DOMZBBRYSA-N 237.387 3.674 30 20 BHED C=C(C)CCSc1nc(C)cc(C)c1C#N 505425855 DMILUPSQLORPNR-UHFFFAOYSA-N 232.352 3.628 30 20 BHED C=CCN(C)[C@H](C)c1cccc(C(F)(F)F)c1 519903761 YCIPGOPSXIJROR-SNVBAGLBSA-N 243.272 3.884 30 20 BHED CCN(CCC(C)(C)C#N)Cc1ccc(C)cc1 540687632 MUZKUOKUFQRJHF-UHFFFAOYSA-N 244.382 3.757 30 20 BHED C=CCC[C@H](CC)NCC[C@H]1CCO[C@H](C)C1 541559671 BPAVLLWINZNVMD-ILXRZTDVSA-N 239.403 3.526 30 20 BHED Cc1ccc([C@H](NCCCCC#N)C2CCC2)o1 544566394 HEDVCGXMFJSRFX-OAHLLOKOSA-N 246.354 3.713 30 20 BHED CCCCC[C@@H]1CCCN1c1ccnc(C#N)c1 553482641 IXGLTYPPPMDECR-CQSZACIVSA-N 243.354 3.502 30 20 BHED C=CCCCN1CC[C@H](Cc2ccc(F)cc2)C1 573553100 SQKUZTPHENHAKF-OAHLLOKOSA-N 247.357 3.656 30 20 BHED C=CCCCNc1ccc(C)c(C(C)=O)c1 584123949 OEICBRSNLOYEDP-UHFFFAOYSA-N 217.312 3.576 30 20 BHED CC[C@H](CNc1cccc(C#N)c1)CC(F)F 594703271 YLSCSTWOPNTILD-JTQLQIEISA-N 238.281 3.652 30 20 BHED C[C@@H](c1ccccc1F)N1CCC[C@@H](CC#N)C1 595610785 CCPPNUCKCYQGJV-STQMWFEESA-N 246.329 3.512 30 20 BHED C=CCCN(C)C(=O)CC(C1CCC1)C1CCC1 626615906 IPMNKHXRNQNPPD-UHFFFAOYSA-N 249.398 3.627 30 20 BHED C=CCCN[C@H](CCC)c1ccsc1 658113978 KAIUGMPGZQGBKL-GFCCVEGCSA-N 209.358 3.755 30 20 BHED C[C@H](N[C@H](C)CC(C)(C)C#N)C1CCCCC1 695818739 YTYZZHKWZDXEOP-OLZOCXBDSA-N 236.403 3.873 30 20 BHED CC[C@@H]1CCC[C@H](/N=C/c2ccccc2O)C1 740763210 BZZHENPWYHIBOD-DMOJTXGPSA-N 231.339 3.780 30 20 BHED CCON=C1C[C@H](C)C[C@@H](c2ccccc2)C1 749859416 QDFLEVIENXONNR-TZMCWYRMSA-N 231.339 3.983 30 20 BHED Clc1cccc(Cl)c1NN=CC1CC1 755772695 IBYCYDXAYRTDGW-UHFFFAOYSA-N 229.110 3.801 30 20 BHED CC(C)C=NOc1ccccc1C(F)(F)F 755815527 IQMOIWHCJVNCLJ-UHFFFAOYSA-N 231.217 3.726 30 20 BHED C#CC[C@H](N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 773115703 OIRVYOWRFUYIIN-QSPRXWTASA-N 239.362 3.529 30 20 BHED C=CCN(Cc1ccc(N(C)CC)cc1)C(C)C 773731507 UUAKRELOTRSPLC-UHFFFAOYSA-N 246.398 3.539 30 20 BHED C=CCCC[C@H](C)NC(=O)C(C)=C1CCCC1 776017002 ZDXYHKZNTHYHNZ-LBPRGKRZSA-N 235.371 3.738 30 20 BHED C[C@@H]1CCCCC1=NN[C@H](C)C(C)(C)C 793116889 VCCGMEZMGRZNDO-GHMZBOCLSA-N 210.365 3.577 30 20 BHED CCCC1CCC(C=NOCCCOC)CC1 795041795 JILUJTVUXHNCFE-UHFFFAOYSA-N 241.375 3.632 30 20 BHED C=C(Cl)COc1cccc(C(C)C)c1 808545826 PBTPMWIDBUBHFG-UHFFFAOYSA-N 210.704 3.941 30 20 BHED C=CCCCCCCCNC(=O)[C@@H]1C[C@@H]1C1CC1 810767409 VSGRZCGJRQKZME-HUUCEWRRSA-N 249.398 3.675 30 20 BHED C[C@H]1CCCC[C@@H]1C=NOCCC1CC1 814246096 SLUZGAJYUJYORG-WCQYABFASA-N 209.333 3.615 30 20 BHED N#Cc1cccc(NN=C2CC[C@@H]2C2CCC2)c1 814786322 DWHGNRICEZMTTA-CQSZACIVSA-N 239.322 3.536 30 20 BHED CC1(C)CCC[C@H]1NN=C1CCC(F)(F)CC1 842531433 GJDCMNNJCXROIB-LLVKDONJSA-N 244.329 3.720 30 20 BHED C#CCCN(Cc1ccc(C(C)C)cc1)C1CC1 920415786 MNSXANRBYOXCTN-UHFFFAOYSA-N 241.378 3.798 30 20 BHED C=C(C)CCNC(=O)c1ccccc1CC(C)C 1261272587 MNLKXVNRZPRKTC-UHFFFAOYSA-N 245.366 3.581 30 20 BHED C=C(CC(C)C)C(=O)N(C)Cc1cccc(C)c1 1350872054 IDEMTVGZYZKTGN-UHFFFAOYSA-N 245.366 3.556 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@@H]1CC(C)C 128830709 KBRQSLIKXGLPJW-OAHLLOKOSA-N 249.398 3.792 30 20 BHED CC[C@H]1CCCC[C@@H]1NCc1ccc(C#N)s1 135676310 JDMOIBVHBYTFLH-FZMZJTMJSA-N 248.395 3.678 30 20 BHED C=C(Cl)CN[C@@H](C)c1cc2ccccc2o1 135835169 HKSLMTVRADNCHN-JTQLQIEISA-N 235.714 3.836 30 20 BHED CCN(CCC#N)CCc1ccc(C(C)C)cc1 137562296 DWXDBAIIGAMTCS-UHFFFAOYSA-N 244.382 3.588 30 20 BHED C=CC[C@H](C)N[C@@H]1CCSc2ccccc21 161639356 GUVFHDFTFLDOFH-WCQYABFASA-N 233.380 3.778 30 20 BHED CC#CCCCC(=O)N(C1CC1)[C@@H](C)[C@H](C)CC 185700311 NSZMDJCJEPKPIA-KGLIPLIRSA-N 249.398 3.606 30 20 BHED CCc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 185723710 NTLVUPKTAHVSLQ-DZGCQCFKSA-N 228.339 3.743 30 20 BHED C#CCCCNC1CCC(C(C)(C)C)CC1 230706066 OEKVLTJJEGIJKC-UHFFFAOYSA-N 221.388 3.594 30 20 BHED Cc1ccc(C(=O)/C=C\c2cncs2)cc1C 254966263 JUWLWEMGNVIVPM-WAYWQWQTSA-N 243.331 3.656 30 20 BHED C=CCCCC(=O)NCC[C@@H](C)c1ccccc1 267115908 CNGHDKWUBYTOCT-CQSZACIVSA-N 245.366 3.653 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1cccs1 281446871 DBIRJDMIHUKYCV-WDEREUQCSA-N 209.358 3.753 30 20 BHED CC(C)CC[C@H](NCCCC#N)c1ccoc1 286311812 XNQTUDIXTNUMER-AWEZNQCLSA-N 234.343 3.650 30 20 BHED C=CCCC[C@H](C)Nc1ccc(Cl)c(C#N)n1 302045394 XWAZADPVIBBAAT-JTQLQIEISA-N 249.745 3.763 30 20 BHED C=CCN(Cc1ccc(C(C)C)nc1C)C1CC1 339062490 FMMKCQWCNKFZOG-UHFFFAOYSA-N 244.382 3.664 30 20 BHED C=CC[C@@H](C)NC(=O)c1cccc2ccsc12 342062957 VFNUBLLKYPKDTJ-SNVBAGLBSA-N 245.347 3.596 30 20 BHED CC[C@H](C#N)S[C@H](C)c1cccs1 379365863 QELJXQZSDNICKC-RKDXNWHRSA-N 211.355 3.844 30 20 BHED C=CC[C@H](CC)Nc1cccc(C(F)(F)F)n1 393811717 WRRKOQGHLQTDTI-VIFPVBQESA-N 244.260 3.867 30 20 BHED C[C@H](CNc1ccc(C#N)cc1)CC(F)(F)F 396950258 POWFURSUZCWAGG-VIFPVBQESA-N 242.244 3.559 30 20 BHED N#CC1(CN[C@@H]2CCCC23CCCCC3)CCC1 418141828 MBBRBQFICCZEGT-CQSZACIVSA-N 246.398 3.773 30 20 BHED C=CC[C@H]1N(C(=O)C2=CCCC2)CCCC1(C)C 443872371 ZQNFUBNDWUQYCG-CQSZACIVSA-N 247.382 3.690 30 20 BHED C=CCCCC[C@H](C)N[C@H]1CC[C@@H](F)C1 449332700 RYTRSRHMTRFJAR-XQQFMLRXSA-N 213.340 3.602 30 20 BHED C=C(C)CCNC/C(C)=C\c1ccccc1 449471394 COXLOFBVDLYWOE-KAMYIIQDSA-N 215.340 3.646 30 20 BHED C=CC[C@@H](C)[C@H](C)NCCC1CC(F)(F)C1 453416058 JTKPUDRAPAVAMH-MNOVXSKESA-N 231.330 3.612 30 20 BHED C=CCSCCOc1ccc(Cl)c(F)c1 479535766 IYQZBWOOXRVRGC-UHFFFAOYSA-N 246.734 3.777 30 20 BHED CN(CCCC(C)(C)C#N)[C@H]1CCC(C)(C)C1 483100040 GBSMYZYKNCUXBO-ZDUSSCGKSA-N 236.403 3.827 30 20 BHED C=C(C)CSCc1cccc(F)c1F 497200431 SCMQWSOBMACFSJ-UHFFFAOYSA-N 214.280 3.774 30 20 BHED C=C(C)CCc1noc([C@H]2CCC[C@@H](C)C2)n1 508688370 WFSPSNUUZFPJBL-NEPJUHHUSA-N 234.343 3.872 30 20 BHED C=CCCCN(C)Cc1cc(C)ccc1F 536681705 SDNRRBWKXLWKLB-UHFFFAOYSA-N 221.319 3.532 30 20 BHED C=CCCCCN1CCC[C@H](c2ccncc2)C1 572692830 RLJRHXCBFIAQGJ-INIZCTEOSA-N 244.382 3.617 30 20 BHED N#Cc1ccccc1-c1cc(F)c(F)c(F)c1 589962895 FZLPYHUKWMEBHZ-UHFFFAOYSA-N 233.192 3.643 30 20 BHED N#CC[C@H]1CCCN(CCCC2CCCC2)C1 595613463 DMRCBVADFSEAIT-OAHLLOKOSA-N 234.387 3.582 30 20 BHED C=CCC1(NCCCC(C)(C)C#N)CCCC1 595780153 JSOVGLUOFYZWFL-UHFFFAOYSA-N 234.387 3.795 30 20 BHED C=CCCCNc1c(F)cccc1N1CCCC1 607149996 QHKAQSZOSLUNKT-UHFFFAOYSA-N 248.345 3.804 30 20 BHED C=CC[C@H](CC)NC(=O)c1ccc(C2CC2)cc1 614396965 UQEZDCDMMPKZFD-HNNXBMFYSA-N 243.350 3.649 30 20 BHED C=C[C@H]1CCCCN1C[C@H](CC)CC(F)F 660428807 GZKJYHSKLFKZHN-NEPJUHHUSA-N 231.330 3.708 30 20 BHED CCCCCCCC(=O)N[C@H]1CCC[C@H]1C 729447164 BTPOOSVBVAWORA-OLZOCXBDSA-N 225.376 3.652 30 20 BHED CC(C)C(=NNc1c(F)cccc1F)C1CC1 735614973 GQLNHOZRRXALEZ-UHFFFAOYSA-N 238.281 3.799 30 20 BHED C#CCCN(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 760840307 DSQBNCDLSSIWNO-DLBZAZTESA-N 241.378 3.586 30 20 BHED C=CCCC(=O)Oc1ccc(C2CCC2)cc1 767226167 MELOUNYQQWHAND-UHFFFAOYSA-N 230.307 3.826 30 20 BHED C=CCCSCc1ccc(N(C)C)cc1 783460070 DJXUXCLZHGBTLI-UHFFFAOYSA-N 221.369 3.562 30 20 BHED CC(Cc1ccsc1)=NN[C@@H](C)C(C)(C)C 793110777 BWNDXMNRBPBMGI-NSHDSACASA-N 238.400 3.691 30 20 BHED CC[C@H](C)CON=C1CSCc2ccccc21 793158741 KIUPHJDJIWLGPJ-NSHDSACASA-N 249.379 3.700 30 20 BHED Cc1ccccc1C1CC(=NOC/C=C/Cl)C1 811668868 URILFMFLAQGNNQ-BNAWKNHKSA-N 249.741 3.998 30 20 BHED C[C@@H]1CCC(=NNc2ccc(F)c(F)c2F)C1 814946680 TZIAJZGLSDKBPN-SSDOTTSWSA-N 242.244 3.692 30 20 BHED C#CCCCCCC=NNc1cccc(Cl)n1 834981217 KBUAPBAINKNNCE-UHFFFAOYSA-N 249.745 3.716 30 20 BHED C=CC(C)(C)C(=O)O[C@H]1C[C@@H](c2ccccc2)C1 835444835 UFJQKFLWFZRDIB-OKILXGFUSA-N 244.334 3.688 30 20 BHED CC(CCc1ccccc1F)=NOC(C)(C)C 1116404146 BPWICQGKFLWUCH-UHFFFAOYSA-N 237.318 3.949 30 20 BHED CCC[C@@H](C)c1nnc(-c2ccc(C#N)cc2)o1 1322503979 QJGFXUMTJCKTGC-SNVBAGLBSA-N 241.294 3.512 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)C1CCCC1 1339278229 APAMCZILOTXYQK-DZGCQCFKSA-N 249.398 3.770 30 20 BHED C=CCC[C@H]1CCCN1C(=O)c1sccc1C 1340856169 IKAQFNUTWCIVQM-LBPRGKRZSA-N 249.379 3.627 30 20 BHED C[C@H](N[C@H]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 37253139 FMPNDXVUJQPVBJ-WWGRRREGSA-N 242.366 3.788 30 20 BHED CC(C)(C)CCNc1cccc(F)c1C#N 37502149 YQEICGITQWIZBG-UHFFFAOYSA-N 220.291 3.545 30 20 BHED Cc1cccc(Nc2cccc(F)c2C#N)c1 60991476 BUAYYWBLOPFWFE-UHFFFAOYSA-N 226.254 3.749 30 20 BHED Cc1nsc(SCc2ccccc2)c1C#N 82310548 CXBPAFCBIYSVDJ-UHFFFAOYSA-N 246.360 3.616 30 20 BHED C=C(CC)CNc1cc(Cl)ccc1OC 85057050 BRCDSDOQAXTMGP-UHFFFAOYSA-N 225.719 3.727 30 20 BHED C=CCNc1cccc(OCC(F)(F)F)c1C 133230020 FOGXWOZRFNEOQG-UHFFFAOYSA-N 245.244 3.534 30 20 BHED C=C[C@@H](C)N[C@@H]1CCCc2c(Cl)cccc21 134928462 IKRHWOPBNNURGM-QMTHXVAHSA-N 235.758 3.882 30 20 BHED CC(C)(C)CCNc1c(F)cc(C#N)cc1F 164157147 IXTSPBNMBMVIBV-UHFFFAOYSA-N 238.281 3.685 30 20 BHED C=CCC1(C(=O)N2CCC3(CCCC3)C2)CCC1 188432285 QWGOLCQNLSNOBV-UHFFFAOYSA-N 247.382 3.526 30 20 BHED C[C@@H](CCC#N)SC1=Nc2ccccc2C1 189475677 JYYOKIZNZVECAQ-JTQLQIEISA-N 230.336 3.698 30 20 BHED C#CCCCCN[C@H](CC)C[C@H](C)CC 222294494 KRCQNKPWGIOWQN-ZIAGYGMSSA-N 209.377 3.594 30 20 BHED C[C@@H]1CCCC[C@@H]1CNc1cc(F)cc(C#N)c1 227613762 WTYYBXVYHAFLIS-DGCLKSJQSA-N 246.329 3.936 30 20 BHED CC(C)(CCC#N)CNCC[C@@H]1C[C@H]2CC[C@H]1C2 246183289 NMRYONNDTHLFIQ-SOUVJXGZSA-N 248.414 3.732 30 20 BHED N#Cc1ccc(N2CC[C@H]3CCCC[C@H]3C2)cc1 250046543 CMZMENKNLVGQLT-CABCVRRESA-N 240.350 3.575 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cccc(F)c1F 276274193 ZWZRAYZNGQOSCY-CYBMUJFWSA-N 239.265 3.506 30 20 BHED C=CC[C@H](C)N[C@H](c1ncc[nH]1)C1CCCCC1 285930297 CVOXUOUSTCCJCE-JSGCOSHPSA-N 247.386 3.585 30 20 BHED C=C(Cl)CN(C)[C@H](CC)Cc1ccccc1 303923637 PEVNPHAYSRRKTA-CQSZACIVSA-N 237.774 3.692 30 20 BHED CC#CCSc1nc(-c2ccccc2)cs1 303944918 XYSXQKPPCWMDNI-UHFFFAOYSA-N 245.372 3.926 30 20 BHED CC(C)CN(CCC#N)CCC1CCCCC1 305115811 UWRGZNATLXKKKX-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C=CCC[C@@H](NCC(=C)C)c1ccccc1 309325359 GHDIMKQZIIZUFB-OAHLLOKOSA-N 215.340 3.860 30 20 BHED C=CCCCCN[C@@H]1CS[C@H](C(C)(C)C)C1 309666326 HYJGATZWWDBAIK-STQMWFEESA-N 241.444 3.853 30 20 BHED C=C(CC)CN[C@@H](C)c1cc(C)ccc1C 309800054 QZWLHANDWJSZMK-AWEZNQCLSA-N 217.356 3.920 30 20 BHED C=CC[C@@H](C)Nc1nc(CC)nc2sccc12 340047268 AWHWPULMQAAJTF-SECBINFHSA-N 247.367 3.630 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cccc(C2CC2)c1 340263459 WEPHGHYLWOPUFU-NEPJUHHUSA-N 215.340 3.789 30 20 BHED N#Cc1cnccc1/C=C/c1cc(Cl)cs1 349106277 HOXRYGMWGPKRDZ-OWOJBTEDSA-N 246.722 3.839 30 20 BHED N#Cc1cc(Cl)cc(OCCCCCF)c1 393786829 ONOKSBCIEGBMRT-UHFFFAOYSA-N 241.693 3.730 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cccc(C)c1 424526581 OFFRTACFAMSAQJ-UHFFFAOYSA-N 217.312 3.536 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[C@H]1CC 424871045 VYRPPTCNFXHRCF-CHWSQXEVSA-N 237.387 3.531 30 20 BHED N#Cc1ccc(N[C@@H]2C[C@H]2Cc2ccccc2)cc1 462874539 MXQQAIVERZKXRL-NVXWUHKLSA-N 248.329 3.601 30 20 BHED C=CCCC1(C(=O)Nc2ccc(C)c(F)c2)CC1 474092304 AUCCSEIIHVHNKK-UHFFFAOYSA-N 247.313 3.819 30 20 BHED C=CCCC1(C(=O)N(C)CC2CCCCC2)CC1 474697051 JCVKEYBOQISNRH-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=C[C@@H]1CCCCN1c1ncc(C(C)C)s1 486468657 QUKNMAZTAMBKOJ-LLVKDONJSA-N 236.384 3.811 30 20 BHED C=CCC[C@H](Nc1ccc(SC)cn1)C1CC1 539690414 PQCADTWHDOOXQR-ZDUSSCGKSA-N 248.395 3.960 30 20 BHED CC[C@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)o1 584865378 ASHVNYJAUHKZCU-WFASDCNBSA-N 246.354 3.552 30 20 BHED Cc1ccccc1[C@@H](C)NC[C@@H](C)CCC#N 602498315 HVQBWJBUDSEXFH-GXTWGEPZSA-N 230.355 3.586 30 20 BHED C=CCCN(Cc1cccc(OC)c1)CC(C)C 606897401 UEZMZTWWRXQDAC-UHFFFAOYSA-N 247.382 3.729 30 20 BHED C=CCN(C(=O)[C@H]1CCCC1(C)C)C(C)(C)C 622944835 HJCAEPGGPSCZNR-GFCCVEGCSA-N 237.387 3.626 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C 650388815 GKCYWSNKDOSRGQ-NWDGAFQWSA-N 237.387 3.530 30 20 BHED C=CCCOC(=O)c1ccc(Cl)c(Cl)c1 729073430 YTTBPCVQLHPDOI-UHFFFAOYSA-N 245.105 3.726 30 20 BHED C=CCCC(=O)O[C@H](CC)c1ccc(C)cc1 733685378 JZUJYUGSRKPZCI-CQSZACIVSA-N 232.323 3.956 30 20 BHED C=CCN(C(=O)C=C1CCC(C)CC1)C(C)C 734101030 AYCZWKDAVSFXHC-UHFFFAOYSA-N 235.371 3.546 30 20 BHED CCCCCC[C@@H](C)NN=C1CCn2cccc21 743450293 IADQXSUIVWMBBB-CYBMUJFWSA-N 247.386 3.544 30 20 BHED C[C@@H](C#N)CNN=C1CCC[C@@H](C(C)(C)C)CC1 746577874 INLNBZCGWHURFC-QWHCGFSZSA-N 249.402 3.718 30 20 BHED CC#CCCCC(=O)O[C@H](C)c1ccccc1C 767099671 JHGKOJRQBAHHSN-CQSZACIVSA-N 244.334 3.793 30 20 BHED CON=C(C)c1ccc(-c2ccccc2)cc1 767477412 ARTWQSWBCUBZMX-UHFFFAOYSA-N 225.291 3.724 30 20 BHED C[C@H](NN=C1CC2(CCC2)C1)c1ccccc1 772841749 VEDROXBETIIIDC-LBPRGKRZSA-N 228.339 3.657 30 20 BHED Cc1ccc(C=NOC2CCCCC2)s1 777460144 VLZGTEBJQAGMFO-UHFFFAOYSA-N 223.341 3.740 30 20 BHED C[C@H]1CCCCC1=NN[C@@H](C)C(C)(C)C 793116893 VCCGMEZMGRZNDO-QWRGUYRKSA-N 210.365 3.577 30 20 BHED C=CCCCCC[C@@H](C)N[C@H]1CCCOCC1 793548177 TZJGHIHRQBHFAS-CABCVRRESA-N 239.403 3.670 30 20 BHED CC1=CCC[C@H](C)[C@H]1C=NNc1cccc(F)n1 795009291 ZLAQYWAMXAMNMO-RYUDHWBXSA-N 247.317 3.611 30 20 BHED COc1cccc(NN=C[C@H](C)C(C)(C)C)c1 800809151 CVJPWQSYBJNDKD-NSHDSACASA-N 234.343 3.775 30 20 BHED CC(=NOC1CCC1)c1csc(C(C)C)n1 812237392 XUAIPWJHDYQNPI-UHFFFAOYSA-N 238.356 3.560 30 20 BHED C[C@@H]1CC(=NOCCC2CC2)C[C@@H](C)C1 814246116 SVIYUMZSWOBKMO-QWRGUYRKSA-N 209.333 3.615 30 20 BHED C#CCCCCCC=NNc1cc(Cl)ccn1 834970787 PRLPREIGAIPKDN-UHFFFAOYSA-N 249.745 3.716 30 20 BHED C=C(C)CON=C[C@H](OC(C)C)c1ccccc1 844620712 ZNNLEIJMWHGFGF-HNNXBMFYSA-N 247.338 3.731 30 20 BHED C=CC(C)(C)CC(=O)N1CC[C@H]1c1ccccc1 878227684 ZGULUPVZGNXYTB-AWEZNQCLSA-N 243.350 3.562 30 20 BHED N#C[C@@H]1CCC[C@H](NC2(C3CCCCC3)CC2)C1 903447686 AZHUPAARSATQKS-HIFRSBDPSA-N 246.398 3.771 30 20 BHED C=C(C)CNc1ccccc1OC1CCCC1 917821902 ZEBWTYBASHNBCX-UHFFFAOYSA-N 231.339 3.996 30 20 BHED C=C(Cl)CN(C)c1cccc(C(C)C)c1 1307430032 QODGUXWZUSGHPE-UHFFFAOYSA-N 223.747 3.999 30 20 BHED CON=CC1CCC(c2ccccc2)CC1 1322590819 WQNPHCRSSBCDLL-UHFFFAOYSA-N 217.312 3.593 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)[C@H](CC)CCC 1514858271 DUBVBYPMGQZYED-ZIAGYGMSSA-N 237.387 3.770 30 20 BHED CC1(CSc2ccc(C#N)cc2)CCC1 1559361741 JREBIZZWQTWOSP-UHFFFAOYSA-N 217.337 3.841 30 20 BHED C=CCN(Cc1cccs1)Cc1cccs1 52774553 MZRHKHMYLJGRJM-UHFFFAOYSA-N 249.404 3.998 30 20 BHED CC[C@@H](CC#N)NC1CC(c2ccc(C)cc2)C1 54183481 RRWXFXSESRVSIN-PCKAHOCUSA-N 242.366 3.523 30 20 BHED Cc1ccc([N+](=O)[O-])cc1NN=C1CCCCC1 57788682 ACQPLJTUQPYLNM-UHFFFAOYSA-N 247.298 3.635 30 20 BHED C=CCSc1nnc(SCCCC)s1 72649257 RXTHGSBGWUJGMK-UHFFFAOYSA-N 246.426 3.708 30 20 BHED Cc1ccc(NCCCC(C)(C)C#N)cc1 83640756 IQFBMJYKDOIALW-UHFFFAOYSA-N 216.328 3.737 30 20 BHED C=C(C)COCCN[C@H](c1ccccc1)C(C)C 91397694 QWPWHSHRCMNVOA-INIZCTEOSA-N 247.382 3.566 30 20 BHED C#CCN(CC)C(=O)CCCCCCCCC 108911322 HAVLLHDQTXMXEP-UHFFFAOYSA-N 237.387 3.609 30 20 BHED CC[C@]1(C)CCCN(Cc2ccc(C#N)s2)C1 127235206 BDLCCUISMMXZEO-CQSZACIVSA-N 248.395 3.632 30 20 BHED Cc1ccc(F)c(NCC(C)(C)CCC#N)c1 128193616 UXQSGXZONDHUBG-UHFFFAOYSA-N 234.318 3.876 30 20 BHED CCCCCCCCCN[C@H]1CCO[C@@H]1C 133958906 LGBXAGKNTAJYFC-KGLIPLIRSA-N 227.392 3.504 30 20 BHED C=CC[C@@H](C)Nc1ncnc2sc(C)c(C)c12 134716149 PZPMAHBRNKGIQE-MRVPVSSYSA-N 247.367 3.685 30 20 BHED C=CCCCOc1cc(F)cc(F)c1C(C)=O 155604796 YOXHHBFZBMGARF-UHFFFAOYSA-N 240.249 3.512 30 20 BHED C=C(C)CN(CC)C(=O)C(C)(C)C1CCCC1 158204051 CPLWVLJTHKVAKA-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CC[C@@H](C)NC1CC(c2ccc(C)cc2)C1 167510968 VZNYJWFXKOGPCE-IUDNXUCKSA-N 229.367 3.795 30 20 BHED C=CCCCC(=O)N[C@@H](CC)c1ccc(C)cc1 175069350 QFRCBNDICWGRHF-HNNXBMFYSA-N 245.366 3.919 30 20 BHED C#CCCCN[C@@H](C)c1ccc(OC(C)C)cc1 178059156 GWFZTGWGLUQFPU-AWEZNQCLSA-N 245.366 3.538 30 20 BHED Cc1ccc(CCCSCCCC#N)cc1 191013557 JHDWHFLYYOTMRK-UHFFFAOYSA-N 233.380 3.965 30 20 BHED CCCC[C@@H](CC)CNc1cc(C#N)ccn1 233054115 MVLJWSNFCKCLME-GFCCVEGCSA-N 231.343 3.582 30 20 BHED CCN(CC[C@H](C)c1ccccc1)C[C@H](C)C#N 249051881 XSJCPTWWHKHDCE-CABCVRRESA-N 244.382 3.662 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccccc1SC 309076192 KPCCDJUJWNCZQH-GHMZBOCLSA-N 221.369 3.634 30 20 BHED CCC[C@@H](CC)/N=C(/O)Nc1cc(C)cc(C)n1 330917349 LTZWESUZKNOGIN-GFCCVEGCSA-N 249.358 3.603 30 20 BHED C=CC[C@@H](C)N[C@H]1CCCc2cc(F)ccc21 340532300 LGQOEPATSLYKES-ABAIWWIYSA-N 233.330 3.757 30 20 BHED CC(C)CC[C@@H]1CCCCN1CC1(C#N)CC1 343321214 FMKAKJCOASUEPT-AWEZNQCLSA-N 234.387 3.581 30 20 BHED CC(C)N(CCC#N)Cc1sccc1Cl 379815243 QBBVLZFYWVXIHR-UHFFFAOYSA-N 242.775 3.526 30 20 BHED C=CCC[C@H](CCC)NC[C@@H]1C[C@@H](C)O[C@H]1C 414280483 LKFFOWVDESICEG-QPSCCSFWSA-N 239.403 3.524 30 20 BHED CC(C)(CCC#N)CN1CC[C@H](C2CCCC2)C1 421394856 UFLOZIBXQQUQFD-HNNXBMFYSA-N 248.414 3.828 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cc(C)c(O)c(C)c1 443115332 YZRWHXOIJKPDBJ-OAHLLOKOSA-N 247.338 3.550 30 20 BHED C=CCCCC[C@H](C)N[C@H]1CCC[C@H]1F 449345321 VGJZXUYXMVKVBZ-XQQFMLRXSA-N 213.340 3.602 30 20 BHED C=CCC1(C(=O)N2CCC[C@@H]2C)CCCCC1 449999872 PTGBSYAOXHECSR-ZDUSSCGKSA-N 235.371 3.524 30 20 BHED C=CC(C)(C)C(=O)N1CC[C@H](C)c2ccccc21 459987527 HOZYKBQHKVALRQ-LBPRGKRZSA-N 243.350 3.739 30 20 BHED C=CCCN(C)C(=O)C[C@@H](CC)CCCC 466643453 UYQVNYSDKIMDDN-ZDUSSCGKSA-N 225.376 3.627 30 20 BHED C=CC[C@@H](C)NCc1cc2c(C)cc(C)cc2[nH]1 479379717 HPUSWGUQZOWDHL-CYBMUJFWSA-N 242.366 3.839 30 20 BHED CCN(C[C@@H]1C[C@@H]1C)[C@@H](C)c1ccc(C#N)cc1 488303753 XFZOWBUZHRDYCQ-XEZPLFJOSA-N 242.366 3.597 30 20 BHED C=C[C@@H](C)NC(=O)Nc1ccc(C2CCC2)cc1 489784341 XIHZWACVBPITAQ-LLVKDONJSA-N 244.338 3.650 30 20 BHED C=C(C)CCSCc1ccc2c(c1)OCO2 506371743 WOKQQAVBTBVZFW-UHFFFAOYSA-N 236.336 3.615 30 20 BHED C[C@H](c1ccc(C#N)cc1)N(C)CC(C)(C)C 507221805 OHZCGTKRSRVRAJ-GFCCVEGCSA-N 230.355 3.597 30 20 BHED C=CCC[C@@H](NC1CCC(F)(F)CC1)C1CC1 540152411 FKLFPORKEWFTMJ-CYBMUJFWSA-N 243.341 3.899 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 556291875 BOAPLUZORQBXNZ-ITGUQSILSA-N 237.387 3.530 30 20 BHED C=C(C)CCc1noc(C2=CCCCCC2)n1 578818468 ZRGIDKWCYSUCAE-UHFFFAOYSA-N 232.327 3.926 30 20 BHED N#CC1(c2ccc(-c3cccnc3)s2)CCC1 592576710 CRBGCHVKVKQLQW-UHFFFAOYSA-N 240.331 3.755 30 20 BHED CC/C=C\CCSCC1(CC#N)CC1 596364348 OHKPCXXFPQZIQR-ARJAWSKDSA-N 209.358 3.770 30 20 BHED C=CCN(CC1CCCCC1)C1CCCC1 613864270 KYKQVYGTBGUZRE-UHFFFAOYSA-N 221.388 3.997 30 20 BHED C[C@H](COc1cccc(C#N)c1)C(C)(C)C 711177699 BJJSHRBWCBVOKA-LLVKDONJSA-N 217.312 3.619 30 20 BHED CCCC(C)=NNc1cccc(C(F)(F)F)n1 739420965 BDVFTRDSICVKGC-UHFFFAOYSA-N 245.248 3.688 30 20 BHED CCCC[C@@H]1CCCC1=NOCc1cccnc1 746588493 PBAAMAXNMLMIQD-CQSZACIVSA-N 246.354 3.945 30 20 BHED CC(C)CN(CCC#N)CCCC1CCCC1 755948367 IKYBJMWCBDDQCC-UHFFFAOYSA-N 236.403 3.828 30 20 BHED CC(C)=CCC[C@H](C)CC=NNc1cnn(C)c1 761884125 FRLZUUAQRGLWGZ-ZDUSSCGKSA-N 248.374 3.590 30 20 BHED CCO[C@@H]1CCCC1=NNc1cc(C)cc(C)c1 766434817 ZAUMNPYXYJRDDF-OAHLLOKOSA-N 246.354 3.660 30 20 BHED C#CCCCN[C@H](c1ccccc1)C1CCCC1 766916744 DELSVVUZYWMDAE-QGZVFWFLSA-N 241.378 3.921 30 20 BHED CC1(C)CCCC1=NOC1CCCCC1 777458535 GAEVKQPBVPFKLE-UHFFFAOYSA-N 209.333 3.902 30 20 BHED C=C[C@@H]1CCCCN1C(=O)CCCCCC 785857276 DSINYAOPIKPLHL-CYBMUJFWSA-N 223.360 3.524 30 20 BHED C=CC[C@H](CC)NC(=O)C=C(CCC)CCC 798551257 PFHFRJIBIPWXAZ-AWEZNQCLSA-N 237.387 3.984 30 20 BHED FC(F)(F)CON=CCC1CCCCCC1 799112462 VHEVLQOMVUNEMV-UHFFFAOYSA-N 237.265 3.912 30 20 BHED CCCC(CC)=NN[C@@H](C)COc1ccccc1 811665365 ORMRVGHZEXPYNA-ZDUSSCGKSA-N 248.370 3.610 30 20 BHED CC1(C)C(=NOCC2CC2)C[C@@H]1c1ccccc1 814243114 GHRRORIIRWRFMZ-CQSZACIVSA-N 243.350 3.983 30 20 BHED CC(C)(C#N)[C@@H]1CCCC1=NNc1ccccc1 814684034 AUCIHCVYAUXXTG-CYBMUJFWSA-N 241.338 3.804 30 20 BHED CCCCCCCC(=O)NCC1CC(F)(F)C1 816719771 LLYTTWSTZQAFIB-UHFFFAOYSA-N 247.329 3.508 30 20 BHED C=CCCNC(=O)[C@@](C)(CC)CCCCC 855383567 ZTFFIKUHZVDLQD-AWEZNQCLSA-N 225.376 3.675 30 20 BHED CC[C@@H]1CCCC[C@H]1/N=C\c1ccccc1O 915113220 RNESNISSDLAQGB-QVIPLJFQSA-N 231.339 3.780 30 20 BHED CC(CCc1ccccc1)=NNc1ccccn1 916275950 BVLJHZFRRNNGSN-UHFFFAOYSA-N 239.322 3.502 30 20 BHED CC(C)(C)ON=C1CCC[C@H](C2CC2)C1 1319803263 GOCGYKUVDIFORX-NSHDSACASA-N 209.333 3.758 30 20 BHED CC(C)(C)ON=CCc1ccc(F)cc1Cl 1320798297 COZXZHNLTOXOMN-UHFFFAOYSA-N 243.709 3.823 30 20 BHED CN(c1ccnc(C#N)c1)C1CCCCCCC1 1611927008 UEHSGHKTAJVRSY-UHFFFAOYSA-N 243.354 3.502 30 20 BHED CC/C(=N\c1ccc(Cl)cc1)S[O] 1857775869 RVOSNZKCJLLICH-PKNBQFBNSA-N 214.697 3.859 30 20 BHED CC(C)CCCN[C@H](C)c1ccc(C#N)cc1 38093315 HBJRIFKDOVLINR-CYBMUJFWSA-N 230.355 3.645 30 20 BHED CC[C@H](C#N)Sc1ccc(C)c(C)c1 43557557 AIFVTYHYITVHNE-LLVKDONJSA-N 205.326 3.698 30 20 BHED CCCN(CC=C(C)C)Cc1ccc(C#N)cc1 47740251 QKLPENDBXBGINM-UHFFFAOYSA-N 242.366 3.736 30 20 BHED C=CC1CCN(C(=O)CC2(C)CCCCC2)CC1 122875869 HBYREGYGYJWUQV-UHFFFAOYSA-N 249.398 3.772 30 20 BHED CC#CCCOc1ccc2ccccc2c1 140259770 QMZVBHTWJLTGPI-UHFFFAOYSA-N 210.276 3.632 30 20 BHED CC1(C)CCC/C(=C/c2cccnc2Cl)C1=O 158989866 FMDLGZAFXUZPKN-KTKRTIGZSA-N 249.741 3.898 30 20 BHED C=CCCCC(=O)N1CCC[C@H](C)[C@H]1CCC 176047223 FLRIUABTKRCMQC-UONOGXRCSA-N 237.387 3.770 30 20 BHED C=CCNC(=O)N(CCCCC)[C@H](C)CCC 176927578 BHCVRNZUOAQUSM-CYBMUJFWSA-N 240.391 3.563 30 20 BHED C=C(C)CN(CC)C(=O)[C@H]1CCCC(C)(C)C1 179285814 VCKWBXYPBDBOEU-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C=CCCCC(=O)N[C@@H]1CCCc2sccc21 186180195 GJIZHSPJJOJHDF-GFCCVEGCSA-N 249.379 3.598 30 20 BHED CCCC[C@@H](CC)CNc1cccc(C#N)n1 227648821 HSBFKLRHHOZQMH-GFCCVEGCSA-N 231.343 3.582 30 20 BHED C=C(C)CCSc1nnc(C2CC2)n1C1CC1 274786285 ZKCFLDUNSYPOBK-UHFFFAOYSA-N 249.383 3.549 30 20 BHED C=CCCCC(=O)Nc1cc(OC)c(C)cc1C 279990818 JIUBSNXJKODUJW-UHFFFAOYSA-N 247.338 3.607 30 20 BHED CCN(Cc1ccc(CC#N)cc1)C1CCCC1 341987156 GVGFBMHWOZMLKV-UHFFFAOYSA-N 242.366 3.517 30 20 BHED COc1ccccc1[C@@H](C)SCC1(C#N)CC1 349179591 VKFYPHDUOSQGPA-LLVKDONJSA-N 247.363 3.793 30 20 BHED CC(C)(C)OCCCCOc1ccc(C#N)cc1 352541892 FKBLLJQRHDESQV-UHFFFAOYSA-N 247.338 3.532 30 20 BHED CCCCCCCC(=O)N1CC[C@@H](C2CC2)C1 371226708 ANHFZCMMOIVTHO-CQSZACIVSA-N 237.387 3.605 30 20 BHED CC[C@@H](F)CSCc1ccc(C#N)c(F)c1 442553419 HOPHONXQHWYPTM-LLVKDONJSA-N 241.306 3.679 30 20 BHED C=CCCCN(C)CC1(c2ccccc2)CC1 444681629 VRICBVIAKJFRKT-UHFFFAOYSA-N 229.367 3.616 30 20 BHED CC(C)[C@H]1CCCN(CCCC(C)(C)C#N)C1 444772585 WDHRMNMQKCSTLR-AWEZNQCLSA-N 236.403 3.684 30 20 BHED C=C[C@@](C)(CC)C(=O)NCCC1CCCCC1 467427665 MIGUBOQQJISQMN-HNNXBMFYSA-N 237.387 3.675 30 20 BHED C=CCC[C@H](C)Nc1cnn([C@@H](C)CC)c1C 477938617 CMNLNOLLYIVYOU-RYUDHWBXSA-N 235.375 3.929 30 20 BHED CC#CCN1CCC[C@@H]1[C@H](CC)c1ccccc1 524768131 RNBYMIGCHBLKAU-IAGOWNOFSA-N 241.378 3.668 30 20 BHED C=CCCN1CCCC[C@H]1Cc1ccccc1 525328316 NIBIHXSORJSGGV-INIZCTEOSA-N 229.367 3.660 30 20 BHED C=C(CC)CN1[C@H](C)C[C@H]2CCCC[C@H]21 536894429 VCJIBFFXDAHJDU-MGPQQGTHSA-N 207.361 3.606 30 20 BHED C=CCN(C1CC1)[C@H](C)CCc1cccc(F)c1 542693778 WQBIWYAECRVKJY-CYBMUJFWSA-N 247.357 3.797 30 20 BHED C=CCCCCCN1CCC[C@@H]1c1cccnc1 561348714 PZZUPVHKIIAEGJ-MRXNPFEDSA-N 244.382 3.965 30 20 BHED CC(C)N(CCC#N)CCC1CCCCCC1 574316838 HWEVKWCPPXJXCZ-UHFFFAOYSA-N 236.403 3.971 30 20 BHED CCc1cc(N[C@H]2CCC[C@@H](C#N)C2)ccc1F 586794888 TZYFFQAPOAXAOX-YPMHNXCESA-N 246.329 3.882 30 20 BHED CC1=CCC[C@H](C)[C@@H]1CN1CCC[C@](C)(C#N)C1 615506939 NYJRSBCDPXNYHU-ARFHVFGLSA-N 246.398 3.604 30 20 BHED C=CCCCNC1(c2ccccc2C)CC1 645979956 SQJWOGQQMQQLRA-UHFFFAOYSA-N 215.340 3.540 30 20 BHED C=C(CC)CNC(=O)C[C@H](C)CC(C)(C)C 654376653 UVUBAEYEEMFVNI-LBPRGKRZSA-N 225.376 3.531 30 20 BHED C=CC[C@H]1CCCC[C@H]1NCCc1ccoc1 658199012 LCEDHOFXMXRBPZ-LSDHHAIUSA-N 233.355 3.547 30 20 BHED Cc1cccnc1SCC1(C#N)CCCC1 692623881 WIVJPCWIOBZJMA-UHFFFAOYSA-N 232.352 3.566 30 20 BHED Oc1ccc2ccccc2c1/C=N/CCC1CC1 743044438 JGQTYZOGHLSQCW-GZTJUZNOSA-N 239.318 3.764 30 20 BHED Cc1cc(F)ccc1NN=C/C=C/c1ccco1 750938684 LYLLYLYAWDHBKD-CNRUJLEGSA-N 244.269 3.838 30 20 BHED COc1ccc(NN=CCC(C)(C)C)cc1 755800609 CSTOKCRQLKJBAM-UHFFFAOYSA-N 220.316 3.529 30 20 BHED C#CCC(C)(C)C(=O)NCC1(CC)CCCCC1 767101175 RMYNIHYPLLHTGC-UHFFFAOYSA-N 249.398 3.513 30 20 BHED Cc1cc(C=NN[C@@H](C)c2ccccc2)c(C)o1 767908689 XIZJWRQHAIZJKS-LBPRGKRZSA-N 242.322 3.581 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C=C/C(=C\C)CC 775923105 JCOBCKMTPMOANE-DVYFCFBASA-N 235.371 3.760 30 20 BHED CC(C[C@@H](C)CC(C)C)=NNc1ccc(C)nn1 779775560 DNFPHKSBMJSRLW-NSHDSACASA-N 248.374 3.645 30 20 BHED C[C@H](NN=C1CCCC1(C)C)C(C)(C)C 793116494 SVPMOUFWSKOJIF-JTQLQIEISA-N 210.365 3.577 30 20 BHED COc1ccccc1CON=C[C@@H](C)CC(C)C 799118862 YDLCCSWAXFQMDS-ZDUSSCGKSA-N 249.354 3.880 30 20 BHED CCCC(=NOCC1CC1)c1ccccc1 814242098 SPRBRDLCAVDPCB-UHFFFAOYSA-N 217.312 3.617 30 20 BHED CC(=NOCCC1CC1)c1cc(F)ccc1F 814246270 YHIRJTLZBXYWPJ-UHFFFAOYSA-N 239.265 3.506 30 20 BHED C=CCC(F)(F)C(=O)OCCCC(C)(C)C 815310469 YQNNNJQPTZRXEL-UHFFFAOYSA-N 234.286 3.567 30 20 BHED CCCC(=NOCCSC)C1CCCC1 834975245 CDCUTYRORYCRJC-UHFFFAOYSA-N 229.389 3.712 30 20 BHED C(=NOCC1CCC1)[C@@H]1CCc2ccccc21 853439294 GWPMBRQQXLVPEM-AWEZNQCLSA-N 229.323 3.519 30 20 BHED CC[C@@H](NCC=C(C)C)c1cccc(C#N)c1 902969982 JPBRMUGFNIUHMS-OAHLLOKOSA-N 228.339 3.565 30 20 BHED Fc1cccc(NN=CC2CCCCC2)c1 920383229 CBFBKYJTSVIIJZ-UHFFFAOYSA-N 220.291 3.804 30 20 BHED CC(C)(C)[C@H]1CCC[C@@H]1Nc1ncccc1C#N 1163480964 SSGUEXUZQIXYSJ-STQMWFEESA-N 243.354 3.580 30 20 BHED CCCN(CC1CCCCC1)[C@H](C)CCC#N 1307426796 FSDDZRRJOQSYHI-CQSZACIVSA-N 236.403 3.971 30 20 BHED C=C(CC)C(=O)N[C@@H](C)c1cc(C)sc1C 1528001980 KOIRACUKJNMMFB-JTQLQIEISA-N 237.368 3.508 30 20 BHED C=C(C)CN1CCC[C@H]1c1cccc(F)c1 52455142 BHPJCFNOJJRQLC-AWEZNQCLSA-N 219.303 3.539 30 20 BHED C=C(C)COC(=O)c1ccc2ccccc2c1 57983098 BXHOHUCVDVYUAN-UHFFFAOYSA-N 226.275 3.573 30 20 BHED CC[C@H]1CCC[C@H](NCc2ccc(C#N)cc2)C1 83640180 QAYFZUFCEBZXPE-BBRMVZONSA-N 242.366 3.617 30 20 BHED CCC(=O)c1ccc(OCCC(C)(C)C#N)cc1 87592212 NWAXBATXKGTWLC-UHFFFAOYSA-N 245.322 3.598 30 20 BHED CC[C@@H](C#N)SCc1cc(C)cc(C)c1 94718377 LJNHCDXZBMHUNQ-ZDUSSCGKSA-N 219.353 3.839 30 20 BHED C[C@@H]1C[C@H](c2ccccc2)CN1CCCCC#N 115553338 KEHYHDSNJWJWQB-ZBFHGGJFSA-N 242.366 3.558 30 20 BHED C=CC[C@H](C)NCc1c(F)cccc1Cl 116927444 ITEFCHDMIYPPTB-VIFPVBQESA-N 227.710 3.533 30 20 BHED C=CCCNCc1c(OC)ccc2ccccc12 161742963 DSJJCLWNKGCSCX-UHFFFAOYSA-N 241.334 3.514 30 20 BHED C=CCCC[C@@H](C)NC(=O)N(CC)CCCC 181404851 YGYSZGXBHMWTRH-CYBMUJFWSA-N 240.391 3.563 30 20 BHED C=CCC1(C(=O)N(C)C2CCCCC2)CCC1 191830108 VKOIGGFSECYHHV-UHFFFAOYSA-N 235.371 3.524 30 20 BHED N#Cc1ccccc1C(=O)/C=C/c1ccsc1 194586445 KCFOHRGPCYHDMW-AATRIKPKSA-N 239.299 3.516 30 20 BHED C#CCCCN[C@H](CCCC)c1ccccc1 219246730 JSIBXIUMKMKHPR-MRXNPFEDSA-N 229.367 3.921 30 20 BHED CC(C)[C@@H](C)SCc1cc(C#N)ccc1F 231192647 XGIOXSCJGRKWAL-SNVBAGLBSA-N 237.343 3.975 30 20 BHED CCN(CCCCC(C)(C)C#N)C1CCCC1 233442950 KIJKGHIMLZFASF-UHFFFAOYSA-N 236.403 3.971 30 20 BHED C#Cc1cccc(N(C)Cc2cccc(C)c2)c1 303162388 HIGYJDGLHAIHMA-UHFFFAOYSA-N 235.330 3.613 30 20 BHED N#C[C@@H]1CC[C@H](Nc2ccc3ccoc3c2)C1 336405664 YRHDINLJILJKFS-PWSUYJOCSA-N 226.279 3.537 30 20 BHED C=CCCCc1nc([C@H](C)c2cccs2)no1 357015630 LKPXTSGRNRULQG-SNVBAGLBSA-N 248.351 3.792 30 20 BHED C=CCC1(C(=O)Nc2ccc(C)c(F)c2)CCC1 358092506 LRIXQMACTBJZEU-UHFFFAOYSA-N 247.313 3.819 30 20 BHED C=CCCC(=O)N[C@H]1CCCCC12CCCC2 368291075 KVVJAIXDZYCSAK-ZDUSSCGKSA-N 235.371 3.572 30 20 BHED C=CC(C)(C)CNC/C=C\c1ccccc1 385033803 LNQCXZGPWZPFIX-FLIBITNWSA-N 215.340 3.502 30 20 BHED CC(C)C(N[C@H](C)c1ccc(C#N)cc1)C(C)C 385134796 VONPQEHWLAVEIA-CYBMUJFWSA-N 244.382 3.889 30 20 BHED C[C@H](CCC#N)N(C)CCC1CCCCC1 411229163 SRNGNVCKPIPNRR-CYBMUJFWSA-N 222.376 3.581 30 20 BHED CCCOc1cccc(CSCCC#N)c1 413010273 AUGYEVYVERUYEF-UHFFFAOYSA-N 235.352 3.622 30 20 BHED C=CCCc1nc(-c2occc2C(C)C)no1 426207495 WGUIPBUFUWUXPV-UHFFFAOYSA-N 232.283 3.572 30 20 BHED Cc1ccc2[nH]c(-c3ccc(C#N)c(C)c3)nc2c1 435702303 YJXDXYHZLPQLKW-UHFFFAOYSA-N 247.301 3.718 30 20 BHED C=C[C@H](C)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 438199487 LORLXOVACXKJQY-CWRNSKLLSA-N 229.367 3.562 30 20 BHED C=CCC[C@H](CCC)N[C@H](C)C(C)(F)F 449416914 WFSZCAPZJSHHON-MNOVXSKESA-N 219.319 3.755 30 20 BHED Cc1ccccc1[C@@H](C)N(C)CC1(C#N)CCC1 450286160 NHPZOUVTKMHMBS-CQSZACIVSA-N 242.366 3.682 30 20 BHED Cc1c(F)ccc2c1N(CCCCC#N)CCC2 452083186 GOITVPVHKDFRMF-UHFFFAOYSA-N 246.329 3.581 30 20 BHED C=CCC(C)(C)C(=O)N[C@H](C)CCC=C(C)C 452540026 IKGFYNNHCOLLLX-CYBMUJFWSA-N 237.387 3.840 30 20 BHED C[C@@H](CC(C)(C)C)NC1CCC(C)(C#N)CC1 453409751 GISYLKRRLAKCTQ-OPFPJEHXSA-N 236.403 3.873 30 20 BHED CC[C@H]1CCCN(c2c(Cl)cccc2C#N)C1 462923841 DXDXLFHKWGKKQJ-NSHDSACASA-N 248.757 3.838 30 20 BHED C=C1CCN([C@H](C)c2ccc(F)cc2F)CC1 518678232 MCIAEQJCALBSTM-LLVKDONJSA-N 237.293 3.678 30 20 BHED CC#CCN(Cc1ccc2ccccc2c1)C1CC1 525119601 SNWFTFRVLGEXKX-UHFFFAOYSA-N 249.357 3.828 30 20 BHED C=CCC(CC=C)C(=O)N(C)[C@@H](C)C(C)(C)C 531823782 DLQRLVUQMIGPSJ-LBPRGKRZSA-N 237.387 3.648 30 20 BHED C=C(C)CN1CCC[C@]1(CCC)C(F)(F)F 532736583 VWFDSMHUJDLQSW-LLVKDONJSA-N 235.293 3.760 30 20 BHED N#Cc1cccc(-c2cnc(C(F)F)s2)c1 536955874 VNSCRSBOQMDYLY-UHFFFAOYSA-N 236.246 3.619 30 20 BHED C=C(C)CN[C@H](CC)C(C)(C)c1ccccc1 537219134 HPHNIHRSNODYNV-OAHLLOKOSA-N 231.383 3.909 30 20 BHED C=CCOCCSCc1ccc(Cl)cc1 554971004 FFTGYGYQAXRZDA-UHFFFAOYSA-N 242.771 3.776 30 20 BHED C=CCCCCNC(C)(C)c1ncc(C)s1 574879023 KORMUFPVMFZQAL-UHFFFAOYSA-N 238.400 3.633 30 20 BHED C=CCC[C@@H](C)Nc1ccc([C@@H]2CCOC2)cc1 581958132 MFFVMIWFSFFYQK-UKRRQHHQSA-N 245.366 3.957 30 20 BHED C#Cc1cc(-c2ccc(F)cc2)cs1 585144490 RINZIEATGKLTLN-UHFFFAOYSA-N 202.253 3.536 30 20 BHED C=CCN(C(=O)C[C@@H]1CCC[C@@H]1C)C(C)(C)C 622944995 NZPBPCWGTCSUPZ-STQMWFEESA-N 237.387 3.626 30 20 BHED CCC(C[C@@H](C)CC)=NNC1CCCC1 727651618 IONIEUUUWUAVSH-NSHDSACASA-N 210.365 3.721 30 20 BHED C/C=C\CSCCCOc1ccc(C#N)cc1 731040486 VOBMSVMDPZQBEW-IHWYPQMZSA-N 247.363 3.636 30 20 BHED CCC(=NNc1cc(C)cc(C)c1)[C@@H]1CCOC1 741837980 OPOKJHNSIZXJMZ-CYBMUJFWSA-N 246.354 3.518 30 20 BHED C[C@H](C#N)CNN=C1CCC[C@H](C(C)(C)C)CC1 746577871 INLNBZCGWHURFC-OLZOCXBDSA-N 249.402 3.718 30 20 BHED Cc1ccc(O)c(C(=O)/C=C/c2ccsc2)c1 757475426 KFEOYRNGHDDTFB-HWKANZROSA-N 244.315 3.658 30 20 BHED C=C(CC)COc1cccc(NC(=O)OCC)c1 773185318 SYRQUUVZZHCFGT-UHFFFAOYSA-N 249.310 3.600 30 20 BHED CCC/C(C)=C/C(=O)O[C@H](C#N)C1CCCCC1 776379133 SRIRFXHVIBEHRC-IEZBTEQYSA-N 249.354 3.748 30 20 BHED Cc1cc(C)cc(C=NNC2CCCCC2)c1 786040752 RGNWCTZAOPEVES-UHFFFAOYSA-N 230.355 3.560 30 20 BHED CC[C@@H](C)NN=Cc1ccc(-c2ccccc2)o1 790181957 HEGMBZKSYCTVKF-GFCCVEGCSA-N 242.322 3.669 30 20 BHED C[C@@H](NN=C1CCC(C)(C)C1)C(C)(C)C 793111716 LILPFBRUMKVTFD-SNVBAGLBSA-N 210.365 3.577 30 20 BHED CC1(C)CCC(=NNc2cccc(Cl)n2)C1 793163153 XYPHDAIAHZGFOG-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C=C(C)CON=C[C@@H](C)c1cc(F)cc(F)c1 844619831 MGMJOXLOBZJMHS-SNVBAGLBSA-N 239.265 3.647 30 20 BHED C=CCC[C@@H](N[C@@H]1C=CCC1)c1ccco1 850510862 WVONHETZATWMGZ-CHWSQXEVSA-N 217.312 3.595 30 20 BHED C[C@H](N[C@@H](C)c1ccco1)c1cccc(C#N)c1 37260559 VXXMIHNHEYEXMQ-RYUDHWBXSA-N 240.306 3.563 30 20 BHED Cc1ccc(NCC(C)(C)CCC#N)cc1 78052349 NSOYUWLZAHCKST-UHFFFAOYSA-N 216.328 3.737 30 20 BHED CCCN(CC#N)Cc1ccc2ccccc2c1 122977102 QLIKDFKIKIUBGG-UHFFFAOYSA-N 238.334 3.575 30 20 BHED FC(F)(F)C#Cc1cccc(Cl)c1Cl 149843719 KHJPQZLUHSVDEE-UHFFFAOYSA-N 239.023 3.907 30 20 BHED C=C(Cl)CN[C@@H](C)c1ccc(F)c(Cl)c1 161732390 AGHRWAIIBSWCAT-QMMMGPOBSA-N 248.128 3.882 30 20 BHED C[C@H](SC[C@@H]1CCCO1)c1cccc(C#N)c1 190783548 JAVQBMHGHWLIQR-FZMZJTMJSA-N 247.363 3.531 30 20 BHED C[C@H]1CCCC[C@H]1CNc1cc(F)cc(C#N)c1 227613774 WTYYBXVYHAFLIS-AAEUAGOBSA-N 246.329 3.936 30 20 BHED CC(C)C[C@H](C)COc1ccccc1C#N 304191675 VETJQDOBFIYHHX-LBPRGKRZSA-N 217.312 3.619 30 20 BHED C=CCCC[C@@H](C)N[C@@H]1CC=C(C)CC1 308822664 CMVLYOXFJJZQLR-ZIAGYGMSSA-N 207.361 3.820 30 20 BHED C=CC[C@@H](CC)Nc1ccnc(C)c1Cl 308942996 MTIONDBWBRQCQY-SNVBAGLBSA-N 224.735 3.810 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)CC1CC1 309026026 ZYKWJHKEYZAFRY-OLZOCXBDSA-N 209.377 3.900 30 20 BHED CC/C=C\CCNc1cc(C#N)ccc1C 310018561 MAKUQZJQZVOVKN-PLNGDYQASA-N 214.312 3.635 30 20 BHED N#CC1(CSc2cccc3cccnc23)CC1 334201072 QXDYCCKOGGMOEY-UHFFFAOYSA-N 240.331 3.631 30 20 BHED N#CC1(CN2CCC[C@H]2c2ccccc2)CCC1 336193929 DPMUZDIXMXXBPJ-HNNXBMFYSA-N 240.350 3.517 30 20 BHED CC(C)(C#N)CCCCN1CC2CCC1CC2 365618097 DMSAOAJSOSHQAB-UHFFFAOYSA-N 234.387 3.581 30 20 BHED CCC1(NCc2cc(C#N)cs2)CCCCC1 389764171 QKPGREBFKSQAKT-UHFFFAOYSA-N 248.395 3.822 30 20 BHED C=C(CC)CN[C@@H](C)c1ccc(OC)cc1C 414146925 LOIKGZRNXCZZAR-ZDUSSCGKSA-N 233.355 3.620 30 20 BHED CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1F 424328009 NPJFTHCZKCNCLA-ZOWXZIJZSA-N 246.329 3.559 30 20 BHED C[C@H](Sc1ccc(C#N)cc1F)C(F)(F)F 427706178 RVZRFUDXESTVQM-LURJTMIESA-N 249.232 3.740 30 20 BHED C=CCC(C)(C)CNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 490010212 AJDLOZSFWFZDMH-IHRRRGAJSA-N 249.398 3.531 30 20 BHED CCC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 490380899 VSYHZLXPAKAOIO-ZDUSSCGKSA-N 242.366 3.741 30 20 BHED C=CCCCCCN(C)C(=O)[C@H](C)[C@@H](C)CC 503118805 QDPGNLBVAFCWQJ-UONOGXRCSA-N 239.403 3.873 30 20 BHED C=C(C)CCN[C@@H](C)c1cc(F)c(F)c(F)c1 508990169 DIKQXOPPUZSKTL-VIFPVBQESA-N 243.272 3.721 30 20 BHED CC#CCN[C@@H](C)c1ccc(SC(C)C)cc1 538202412 MOSDMDRCHULZQI-ZDUSSCGKSA-N 247.407 3.861 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@H](C)C(C)(C)C 539441186 UMXRUBRGMBDBRQ-NEPJUHHUSA-N 225.376 3.530 30 20 BHED C=CCCCCSCC[C@@H]1CCOC1 567097330 RIVNQZDOCODSBG-LBPRGKRZSA-N 214.374 3.503 30 20 BHED N#C[C@@H](c1ccccc1)N1CCC2(CCC2)CC1 595484277 PFZWZWPNMCSQGT-HNNXBMFYSA-N 240.350 3.517 30 20 BHED C=CCCN(CC1CCCCC1)C1CC1 606896118 XUYCDYBGXJQJFO-UHFFFAOYSA-N 207.361 3.607 30 20 BHED C=CCCCCCN(C)C(=O)N[C@@H](C)CCC 606919191 TXGIXRDSFIGLJL-ZDUSSCGKSA-N 240.391 3.563 30 20 BHED C=C(C)CN1CCC[C@H]1CCc1ccccc1 613474523 WNCQKVVDZBQNRC-INIZCTEOSA-N 229.367 3.660 30 20 BHED CCCC[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618804698 LQPXMNULYPZNBV-MLGOLLRUSA-N 242.366 3.714 30 20 BHED C=C(C)CCNC(=O)[C@@H](CCCC)C(C)C 622088459 SZWZWNTWRLRJJW-ZDUSSCGKSA-N 225.376 3.531 30 20 BHED C=CCCN(C)Cc1csc(C(F)(F)F)c1 628246845 FUEKWSNOXJMKPQ-UHFFFAOYSA-N 249.301 3.775 30 20 BHED C=CCCCCNC(=O)C(CC)(CC)CC 681145578 FAGWBDBNFFXHFY-UHFFFAOYSA-N 225.376 3.675 30 20 BHED C=CCCC(=NNc1ccccc1F)C1CC1 747751721 OGBXACGCJQJBTN-UHFFFAOYSA-N 232.302 3.970 30 20 BHED CC(=NOCC(F)F)c1cc(C)c(C)cc1C 758904820 YHJUUTKRKUUMKU-UHFFFAOYSA-N 241.281 3.618 30 20 BHED C=C(C)COC(=O)c1cccc2ccsc12 767627302 RQQOUBJCYWZOFF-UHFFFAOYSA-N 232.304 3.634 30 20 BHED CCC/C(C)=C\C(=O)O[C@@H](C#N)C1CCCCC1 776379132 SRIRFXHVIBEHRC-HCYCVZQXSA-N 249.354 3.748 30 20 BHED CC(C[C@H](C)CC(C)C)=NNCC(C)C 779787674 VDJDNNMHVCJBHO-GFCCVEGCSA-N 212.381 3.680 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CCC[C@H](CC)C1 779918087 QUFHGBCXEVANER-LSDHHAIUSA-N 249.398 3.655 30 20 BHED C=CCCCCCN(CC)CCc1ccccn1 785730972 UUXFVJGBOOYKPO-UHFFFAOYSA-N 246.398 3.692 30 20 BHED C#CCC1(C(=O)N[C@@H](C)[C@@H](C)CC)CCCCC1 788436808 OHIUWSWFCQXZEX-KBPBESRZSA-N 249.398 3.511 30 20 BHED C#CC[C@@H](N[C@H]1CCC1(C)C)c1ccccc1 793545850 DCLZWUKZFWYHTO-CABCVRRESA-N 227.351 3.529 30 20 BHED CC(C)[C@H]1CCCC(=NO[C@H]2CCCCO2)C1 794523070 CMZBUCMRPUNLFV-JSGCOSHPSA-N 239.359 3.732 30 20 BHED FCCC[C@H]1CCCC1=NOC/C=C\Cl 811671072 MZRATQFUFOVDGR-MTRJASKCSA-N 233.714 3.661 30 20 BHED Cc1ccc(NN=C2CCCC23CCC3)nc1 834954941 YTGJIQSHCVRLKU-UHFFFAOYSA-N 229.327 3.512 30 20 BHED C=CC(C)(C)CC(=O)Nc1ccc2[nH]ccc2c1 878089820 NVXIKMILUFFJIH-UHFFFAOYSA-N 242.322 3.709 30 20 BHED Clc1ccnc(NN=C2CC3(CCCC3)C2)c1 901215949 SNTKZXGHJFWQQX-UHFFFAOYSA-N 249.745 3.857 30 20 BHED CC[C@@H]1CCCC[C@@H]1/N=C/c1ccccc1O 915113219 RNESNISSDLAQGB-DMOJTXGPSA-N 231.339 3.780 30 20 BHED CN(CCCCC1(C#N)CCC1)CC(C)(C)C 929483107 ZJYHZDLXXXPUOO-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C=C(CC)C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 1123510105 MFXYUJQISOGINW-AWEZNQCLSA-N 243.350 3.562 30 20 BHED CC(C)(CCC#N)CN1CC[C@H]2CCCC[C@@H]2C1 1319682808 XTDNNCDRIWPVNU-HUUCEWRRSA-N 248.414 3.828 30 20 BHED C=C(C)CNc1ccc(C(F)(F)F)c(OC)c1 1352736792 GSCMERNIOHXZLE-UHFFFAOYSA-N 245.244 3.702 30 20 BHED Cc1ccnc(SCc2cccc(C#N)c2)c1 1652198420 FCHPFODOHDEIBF-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=CCN(CC=C)C(=O)c1ccc(C(C)C)cc1 5384690 DKGVAEXNKMOUSS-UHFFFAOYSA-N 243.350 3.624 30 20 BHED Cc1ccc(CNc2ccccc2C#N)c(C)c1 19921314 PPODUSFTPNPJFL-UHFFFAOYSA-N 236.318 3.787 30 20 BHED C[C@H]1C[C@H](C)CN(c2cccc(Cl)c2C#N)C1 48727848 QFHCGSKOMXTDMO-QWRGUYRKSA-N 248.757 3.694 30 20 BHED C=C(CC)CN[C@@H](C)c1cccc(Cl)c1 85057704 JBCMOLAISDEMEJ-NSHDSACASA-N 223.747 3.957 30 20 BHED C=C(CC)CN[C@H](C)c1cc(C)oc1C 85058175 QUUVKIZPQHVRLM-LLVKDONJSA-N 207.317 3.513 30 20 BHED CN(CCCC(C)(C)C#N)c1ccc(F)cc1 87608663 RMNMINZZQGZFQN-UHFFFAOYSA-N 234.318 3.592 30 20 BHED C=CCS[C@@H](C)C(=O)Nc1c(C)cccc1C 114756944 LMFLUOPLVDRLAS-LBPRGKRZSA-N 249.379 3.550 30 20 BHED C=C[C@@H](CC(=O)N(C)[C@H](C)CC)c1ccccc1 123942817 HTMUYSHUWBQNEC-KGLIPLIRSA-N 245.366 3.603 30 20 BHED CC(C)(C)[C@@H]1CCN(c2cccc(F)c2C#N)C1 128445367 XLITZISWEWCTAK-LLVKDONJSA-N 246.329 3.570 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc2[nH]ccc2c1 135552158 SOUMMMCUNZLFBE-HNNXBMFYSA-N 242.322 3.709 30 20 BHED C=C(C)CCNc1ccccc1OC(F)(F)F 164419313 XDQBADRTWRPCIU-UHFFFAOYSA-N 245.244 3.963 30 20 BHED C[C@@H]1CCC[C@H](OC(=O)C2(C#N)CCCCC2)C1 194315325 NEWICPCMZKZDND-OLZOCXBDSA-N 249.354 3.582 30 20 BHED CCCCCCCOC(=O)[C@@H]1CC=CCC1 196451863 QGWMGYXVRLNGMY-CYBMUJFWSA-N 224.344 3.856 30 20 BHED C=C(Cl)CN[C@@H]1CC[C@@H](C)C[C@@H]1CC 222096049 SULKSJVCQIRPBU-ADEWGFFLSA-N 215.768 3.543 30 20 BHED C=CC[C@H](CC)NC(=O)Nc1ccc(C)cc1C 281421243 QWZVBPRQUIIWOD-ZDUSSCGKSA-N 246.354 3.780 30 20 BHED OC(=Nc1ccc2ccoc2c1)[C@H]1CCCCO1 329820449 GLEBOLDKDWCZER-GFCCVEGCSA-N 245.278 3.590 30 20 BHED Cc1cccc([C@@H](C)N2CCC(CC#N)CC2)c1 335977025 FJENOHYCXCICDP-CQSZACIVSA-N 242.366 3.682 30 20 BHED CC(C)[C@H]1CCc2ccccc2N1CCCC#N 342558228 XNBMWCLZKBJJJD-OAHLLOKOSA-N 242.366 3.768 30 20 BHED C[C@@H]1CCN(CC2(C#N)CC2)CC12CCCCC2 360626168 DXMDCNYZPBUSLB-CQSZACIVSA-N 246.398 3.582 30 20 BHED Cc1ccc(OCC2(C#N)CCC2)cc1Cl 413019505 VAEBXLFXJMHUNL-UHFFFAOYSA-N 235.714 3.721 30 20 BHED C=C(C)CCNCc1cc2c(C)c(C)ccc2[nH]1 449476916 OAEWWZVYIQQTHO-UHFFFAOYSA-N 242.366 3.841 30 20 BHED CC(F)(F)CCOc1ccc(C#N)cc1Cl 450734132 BFIHPLNSUSXMKW-UHFFFAOYSA-N 245.656 3.636 30 20 BHED N#C[C@@H](SC1CCC1)C1CCCCC1 450985166 ICPYHXLVUREDNG-GFCCVEGCSA-N 209.358 3.745 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ncccc1CC 467414951 XGGVMJWBNLDZNE-JSGCOSHPSA-N 232.371 3.649 30 20 BHED C=CCS[C@@H](C)c1ccc(F)c(F)c1 522961372 QTNZMYODSFFVPG-QMMMGPOBSA-N 214.280 3.945 30 20 BHED C=C(CC)CSc1nncc2ccccc12 540212449 JBZBAXCGXFRIEV-UHFFFAOYSA-N 230.336 3.688 30 20 BHED CC[C@@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 544431375 XHYHWSWTAKEDON-OLZOCXBDSA-N 249.785 3.716 30 20 BHED C[C@@H](c1cccc(C#N)c1)N(C)CC1=CCCC1 592125773 IVPKWZXUKVIOHM-ZDUSSCGKSA-N 240.350 3.661 30 20 BHED C=CCCC(C)(C)NC(=O)C1=CC[C@@H](C)CC1 620864607 JBLFJCJPCAIRFY-GFCCVEGCSA-N 235.371 3.594 30 20 BHED C=CCC1(NCCOC(C)(C)C)CCCCC1 625935358 XKRMIRLBGDYKMS-UHFFFAOYSA-N 239.403 3.670 30 20 BHED C=CCCSCCNc1nc(Cl)cs1 696078994 LYFXVLMEDWJYLM-UHFFFAOYSA-N 248.804 3.518 30 20 BHED CCCCCCCC(C)=NNc1ccc(C)nn1 729935472 AJABEZHRRYWLCM-UHFFFAOYSA-N 248.374 3.933 30 20 BHED C=CCCCCCN(C)C(=O)/C=C(\C)C1CC1 739654318 LZRUIBIDVUHKRF-OUKQBFOZSA-N 235.371 3.548 30 20 BHED C/C=C(/C)C(=O)NCCCCCCCCC 751323476 QVMCWRBGDCDTBD-ACAGNQJTSA-N 225.376 3.819 30 20 BHED CC1(C)CCC/C(=C\c2cccc(F)c2)C1=O 757535871 XCRMWXSOHSNURE-FMIVXFBMSA-N 232.298 3.988 30 20 BHED CCC[C@H](C)C(=O)OCCCCC(C)(C)C#N 768598330 PAJBDGRDQPBWDK-LBPRGKRZSA-N 239.359 3.686 30 20 BHED CCCCCC(C)=NN[C@H]1C[C@H]2CC[C@H]1C2 774597580 RRDQDFLSUPYUCL-IHRRRGAJSA-N 222.376 3.721 30 20 BHED CCCC(CC)=NN=c1cc[nH]c2ccccc12 776186856 VTNSSXXDMJRJKC-UHFFFAOYSA-N 241.338 3.635 30 20 BHED CC[C@H]1CCC[C@H](C=NOCc2cccnc2)C1 783856713 IYYDWKXGXORTBM-KBPBESRZSA-N 246.354 3.800 30 20 BHED C=CCCN(C)C(=O)N[C@@H](C)CCCCCC 786104681 FYHQEDXNVHVWDM-ZDUSSCGKSA-N 240.391 3.563 30 20 BHED CC[C@H]1CCCC(=NNc2ncccc2F)C1 794985218 SXDZAYQSUSHJNX-JTQLQIEISA-N 235.306 3.589 30 20 BHED C=CCCCCCCCNC(=O)c1ccoc1 810766688 KFEJXYSIJIPYLA-UHFFFAOYSA-N 235.327 3.536 30 20 BHED CCOc1ccc(NN=C(C)C2CCC2)cc1 814983533 BJWAIUDREMVVHH-UHFFFAOYSA-N 232.327 3.673 30 20 BHED CCC(=NNc1ccc(C#N)cc1)C1CCC1 834940902 KILNKWAGKWMLJD-UHFFFAOYSA-N 227.311 3.536 30 20 BHED CCC(=NOCc1ccccc1OC)C1CCC1 834976125 HXRJUEXSSVXDHN-UHFFFAOYSA-N 247.338 3.778 30 20 BHED CC(C)ON=CCCCCOc1ccccc1 835000213 KTSWSURFQMCYGR-UHFFFAOYSA-N 235.327 3.647 30 20 BHED C[C@H](CC(C)(C)C)OC(=O)CCCCCC#N 835705363 XRIFQFDWMIBWPB-GFCCVEGCSA-N 239.359 3.828 30 20 BHED Clc1ccc(C=NNc2ccccc2)s1 839383915 RPGBHAHXJPUTPL-UHFFFAOYSA-N 236.727 3.848 30 20 BHED N#CCOc1cccc(OCCC2CCCC2)c1 842110408 MGHZGVMVNBCGJD-UHFFFAOYSA-N 245.322 3.548 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H](c1ccncc1)C1CC1 898323110 XPJFPMALGNFBFA-ZENOOKHLSA-N 244.382 3.723 30 20 BHED C=C[C@H](CC)CC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 935323152 CHUXHFPTESGGJQ-XGUBFFRZSA-N 249.398 3.626 30 20 BHED CCC[C@]1(C)CCCN(CC2(CC#N)CC2)C1 1167509452 NHCJUXTVBSYAFQ-CQSZACIVSA-N 234.387 3.582 30 20 BHED Cc1cc(C)cc(N(C)C[C@H](C)CCC#N)c1 1474430141 YLQXCVPCFGRVOV-GFCCVEGCSA-N 230.355 3.680 30 20 BHED Cc1cc(C)c(C#N)c(SC2CCCCC2)n1 40418578 KSKHKDCUJXARTF-UHFFFAOYSA-N 246.379 3.995 30 20 BHED C=C(C)CN(Cc1ccccc1)Cc1ccco1 49968021 PSJSJVMZDZUYCF-UHFFFAOYSA-N 241.334 3.858 30 20 BHED C[C@H]1CCC[C@H](Sc2ccc(C#N)cn2)C1 54690675 USSHCOKBLKFXGX-JQWIXIFHSA-N 232.352 3.624 30 20 BHED Cc1ccc(F)c(NCCCC(C)(C)C#N)c1 87597244 QRBIORJLBINCNM-UHFFFAOYSA-N 234.318 3.876 30 20 BHED CC[C@@H]1CCCCN1CCCC(C)(C)C#N 87608458 HILMSZACMLMWLD-CYBMUJFWSA-N 222.376 3.581 30 20 BHED Cc1nsc(NC2C[C@H](C)C[C@@H](C)C2)c1C#N 92912600 BIFRMSFFQIGONI-RKDXNWHRSA-N 249.383 3.560 30 20 BHED CCCCCCCCCC(=O)NC(C)C 106166980 HOXBHWRARVHHPL-UHFFFAOYSA-N 213.365 3.652 30 20 BHED C=CCN(C)C(=O)Nc1ccccc1C(C)(C)C 156118016 YSILHMATLLXYDO-UHFFFAOYSA-N 246.354 3.634 30 20 BHED C=CCCCC(=O)Nc1cccc(C)c1C 175082206 MQFWDBZPZJHPLS-UHFFFAOYSA-N 217.312 3.598 30 20 BHED Cc1ccc(Nc2nccc(C#N)c2Cl)cc1 235881316 DRNNOOWKYBWCQU-UHFFFAOYSA-N 243.697 3.659 30 20 BHED C=C(C)CNc1cccc(SC)c1C 306457984 XIBUFDALTJGTJY-UHFFFAOYSA-N 207.342 3.705 30 20 BHED CC(C)c1ccc([C@@H](C)N[C@@H](C)CC#N)cc1 340616793 KSQDMOBRYZZHRE-QWHCGFSZSA-N 230.355 3.763 30 20 BHED C=C(C)CN1Cc2ccccc2C2(CCC2)C1 352372746 WRDPNOILXVQEAD-UHFFFAOYSA-N 227.351 3.500 30 20 BHED C=C1CCN(Cc2cccc(Cl)c2F)CC1 353319477 FCTVKEIWLZAXJR-UHFFFAOYSA-N 239.721 3.631 30 20 BHED C=CCN(CCC1CC1)Cc1cccs1 359844401 ABQDTTDJOSQHAD-UHFFFAOYSA-N 221.369 3.536 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)CC1 361689368 KIOCWKXNVXCIAT-MELADBBJSA-N 249.398 3.674 30 20 BHED C=C[C@@H](C)Nc1ccnc2c(Cl)cccc12 381240525 MYNHVWDFXMSHNZ-SECBINFHSA-N 232.714 3.875 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1cccc(O)c1 383984749 KNTZXVFSEZMMKN-GFCCVEGCSA-N 233.355 3.645 30 20 BHED CC(C)C[C@H](C)CN(C)Cc1ccc(C#N)cc1 410310454 LPDJJZFJHLKRHJ-AWEZNQCLSA-N 244.382 3.672 30 20 BHED CC(C)(CC#N)CNc1ccc(Cl)cc1C#N 413406532 KSNHVCHYVAQIOF-UHFFFAOYSA-N 247.729 3.563 30 20 BHED C=CCCSCc1ccc(C(C)=O)cc1 419415676 GEJSXGRFNOEPPK-UHFFFAOYSA-N 220.337 3.699 30 20 BHED N#CCCCSCc1sccc1Cl 419582928 CTCSDZZZZGYICJ-UHFFFAOYSA-N 231.773 3.938 30 20 BHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)C1CCCCCC1 424337194 ZDBMAFXHZOCDQY-KCQAQPDRSA-N 234.387 3.627 30 20 BHED C=CCN(CCC#N)[C@H](C)c1cccc(Cl)c1 428843807 WQTWQXTXEXOQRP-GFCCVEGCSA-N 248.757 3.803 30 20 BHED C=CC(C)(C)CN[C@H]1CCCNc2ccccc21 449483849 CSQWMXXOFUTJTA-HNNXBMFYSA-N 244.382 3.735 30 20 BHED N#CC1(CSc2cc(F)ccc2F)CCC1 450737610 JXJXYETYGRPZFI-UHFFFAOYSA-N 239.290 3.751 30 20 BHED CC#CCCSCc1cc(F)ccc1F 462366544 UHKHROGVWVBONO-UHFFFAOYSA-N 226.291 3.611 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccc2occc2c1 530002379 CWISUEOGKAHMJG-UHFFFAOYSA-N 243.306 3.974 30 20 BHED C[C@@H](CCC#N)CN(C)[C@H]1CCc2ccccc21 602437473 YQDZXXYDJVRYDE-BBRMVZONSA-N 242.366 3.546 30 20 BHED CCc1cccc(NC[C@@H](C)CCC#N)c1 602484137 NIFZHPNXIFZUFH-LBPRGKRZSA-N 216.328 3.601 30 20 BHED C=CCCCN1C[C@@H](c2ccc(F)cc2)C[C@H]1C 605768417 MSUJUDOGQKSERK-HIFRSBDPSA-N 247.357 3.970 30 20 BHED C[C@@H](N[C@@H]1CCC12CCC2)c1cccc(C#N)c1 619723855 RJRUJHNASKNBPF-IUODEOHRSA-N 240.350 3.542 30 20 BHED Cc1cccc2c1C/C(=C/c1ccccc1)C2=O 729151363 RROLYSVVYVFUSS-UVTDQMKNSA-N 234.298 3.817 30 20 BHED CC#CCN(C)Cc1ccc(-c2ccccc2)cc1 741776692 OCFYFIMDKODANP-UHFFFAOYSA-N 249.357 3.809 30 20 BHED CC(C)[C@H]1CCCC1=NNc1ccc(C#N)cc1 747752677 AGLUSDJHJAKBEF-CQSZACIVSA-N 241.338 3.782 30 20 BHED O=C(/C=C/c1ccc(O)c(F)c1)C1CCCCC1 755581506 NPKGDAKVMFWQAO-SOFGYWHQSA-N 248.297 3.694 30 20 BHED C=CCC(CC=C)C(=O)Oc1ccc(C)cc1C 758379375 FURBDPMLWVXOAT-UHFFFAOYSA-N 244.334 3.977 30 20 BHED C(=NOC1CCCC1)[C@H]1CCc2ccccc21 774602417 JYSOCACXGXVCFB-CYBMUJFWSA-N 229.323 3.661 30 20 BHED C#CCCCCCC(=O)OCc1ccc(C)cc1 780263858 JAIHKHRRDZMTTL-UHFFFAOYSA-N 244.334 3.622 30 20 BHED CC[C@@H](C)NN=C(C)c1ccc(SC)cc1 790191872 YZYQJPURQJGAQU-SNVBAGLBSA-N 236.384 3.521 30 20 BHED C=CCCC(=NNCC1(C)CCCC1)C1CC1 793090541 WDYOSTDLHAQFNJ-UHFFFAOYSA-N 234.387 3.889 30 20 BHED CC(CSC(C)(C)C)=NN[C@H](C)C(C)(C)C 793113256 CETKTUJKZYDFSD-LLVKDONJSA-N 244.448 3.918 30 20 BHED C=CCCC(=NN[C@H](C)C(C)(C)C)C1CC1 793113426 DZIRMZRJZJQUDS-LLVKDONJSA-N 222.376 3.743 30 20 BHED CC[C@H](C)CON=C1CCC(F)(F)CC1 842533206 JQMGZUONFHUJIR-VIFPVBQESA-N 219.275 3.614 30 20 BHED C=C(C)CON=C1CCC[C@@H](C2CC2)C1 844618489 CIBPMJZBPHYDRU-GFCCVEGCSA-N 207.317 3.535 30 20 BHED C=C(Cl)CSCc1cccc([N+](=O)[O-])c1 913396283 WAYAGBKFGIFWPQ-UHFFFAOYSA-N 243.715 3.581 30 20 BHED C[C@H](c1cccc(Cl)c1)N1CCC[C@@H](C#N)C1 932157439 IZKRSOACHFYBBI-NEPJUHHUSA-N 248.757 3.637 30 20 BHED C[C@@H]1C[C@@H](C(C)(C)C)CCN1CC1(CC#N)CC1 1559879313 GIPGQOKCCUDADV-KGLIPLIRSA-N 248.414 3.827 30 20 BHED CCc1ccc(NCc2ccc(C#N)cc2)cc1 19955341 BYQZMISEPVGLME-UHFFFAOYSA-N 236.318 3.733 30 20 BHED C#Cc1cccc(NC(=O)[C@@H](CC)CCCC)c1 41637833 PPZYJQXEKODCLP-AWEZNQCLSA-N 243.350 3.823 30 20 BHED Cc1cccc(Sc2nc(C)ccc2C#N)c1 43400937 UFJHDUXGFSMAOT-UHFFFAOYSA-N 240.331 3.721 30 20 BHED C=CCCc1csc(-c2cccc(O)c2)n1 90065569 ZRWXRYUDZVRTRO-UHFFFAOYSA-N 231.320 3.634 30 20 BHED Cc1cscc1N[C@@H](C#N)C1CCCCC1 158407132 OGSMEVPTCLVJIZ-LBPRGKRZSA-N 234.368 3.941 30 20 BHED CC[C@H](C)CN(C)[C@@H](C)c1ccc(C#N)cc1 172398488 FIYJWMISGIPURJ-STQMWFEESA-N 230.355 3.597 30 20 BHED C[C@H](C#N)Oc1ccccc1NCC1CCCC1 182581236 HXPADKHYOSKSOL-GFCCVEGCSA-N 244.338 3.580 30 20 BHED C[C@H](CCc1ccco1)NCC(C)(C)CCC#N 229671843 HIPZMIISHVEZIN-CYBMUJFWSA-N 248.370 3.520 30 20 BHED CC[C@H](C)[C@H](C)Nc1nc(Cl)c(C#N)s1 234004125 JPAYXJZWVGNQTN-BQBZGAKWSA-N 243.763 3.515 30 20 BHED C(/C=C\c1ccccc1)=Nn1cnc2ccccc21 254387779 XNPJGSGOAUDXHX-WPFQCSIDSA-N 247.301 3.584 30 20 BHED O=C(/C=C\c1ccccc1F)c1ccccc1F 255308325 FFWSKGOESIYIBD-KTKRTIGZSA-N 244.240 3.861 30 20 BHED CCC(CC)(CC)CNc1cccc(C#N)n1 301645882 PIVNUPWSJGXVFI-UHFFFAOYSA-N 231.343 3.582 30 20 BHED C=CCC[C@H](C)NCC12CCC(CC1)C2 309024020 YVZNLJUJAJYBIJ-HSBZDZAISA-N 207.361 3.511 30 20 BHED C=CCCCN[C@H](C(C)(C)C)C(F)(F)F 309026166 AOQVMTJEYCNARR-SECBINFHSA-N 223.282 3.519 30 20 BHED Cc1nc(N[C@@H]2CC[C@@H](C)C2)c(Cl)cc1C#N 336716137 PUWBOBUQYBZRBG-LDYMZIIASA-N 249.745 3.516 30 20 BHED C=CCC(C)(C)CN[C@@H]1CCC12CCC2 340426617 GQKADCJTYCQHNT-GFCCVEGCSA-N 207.361 3.511 30 20 BHED CC(C)CC1(CNc2cc(C#N)ccn2)CCC1 342565048 KHIVDNSJLXOHDC-UHFFFAOYSA-N 243.354 3.582 30 20 BHED C=C(C)CCc1noc([C@H]2CC=CC[C@@H]2C)n1 347267139 POUQMGHKIFWCGK-RYUDHWBXSA-N 232.327 3.648 30 20 BHED CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 349322043 LKDSQNQXFZVZEC-IMJJTQAJSA-N 242.366 3.810 30 20 BHED C=CCCCCCCN[C@H](C)c1ccncc1 382420047 QJDKOBBPWCKRNO-CQSZACIVSA-N 232.371 3.869 30 20 BHED C=CCCNc1cccc(C2CCC2)c1 389643569 RNPBHBPICSMPES-UHFFFAOYSA-N 201.313 3.942 30 20 BHED C=C(C)C(C)(C)c1nc([C@@H](C)SCC)no1 424344317 BZMXUCXBHILOCA-SECBINFHSA-N 240.372 3.737 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@]1(C)CCC[C@@H]1C 450641741 HZQWOESSVOIZCQ-YDHLFZDLSA-N 237.387 3.674 30 20 BHED C=CC(C)(C)CN[C@H]1CCC12CCCC2 453304132 DWWTVLZQNBFPMS-LBPRGKRZSA-N 207.361 3.511 30 20 BHED C=CCC(C)(C)C(=O)N(C)[C@H]1CCC[C@@H](C)C1 459979849 YSYDFBPBVDKIEM-OLZOCXBDSA-N 237.387 3.626 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]1C1CCCCC1 468003593 JEFYYXWJGJREGF-OFQRWUPVSA-N 249.398 3.674 30 20 BHED C=CCCCCCN(C)C(=O)C[C@@H](C)CC 479993643 PTPWDXOLIFZXBO-ZDUSSCGKSA-N 225.376 3.627 30 20 BHED N#Cc1c(F)cccc1CSC1CCCC1 488261138 GZDCBQKVYYZRPY-UHFFFAOYSA-N 235.327 3.873 30 20 BHED C=CC[C@H](CC)NC(=O)Nc1ccc(CC)cc1 500104351 OFHBTEFGMFPTOQ-ZDUSSCGKSA-N 246.354 3.725 30 20 BHED C[C@H](F)CCSc1ccc(C#N)cc1F 505507642 SKOFTXSCVYIFNM-QMMMGPOBSA-N 227.279 3.538 30 20 BHED C=C(C)CCN1C[C@H](c2ccc(F)cc2)C[C@H]1C 509667359 QTMLMQQHMPYJRH-UKRRQHHQSA-N 247.357 3.970 30 20 BHED C=C1CCN(C(=O)C[C@H](C)C2CCCCC2)CC1 519419586 AHKGKAPOWQTLNB-AWEZNQCLSA-N 249.398 3.772 30 20 BHED C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CC1(C)C 595910962 VAEXFEWZAGWUBG-SWLSCSKDSA-N 242.366 3.597 30 20 BHED C=CC[C@@H](C)NC(=O)[C@@H](CCCC)C(C)C 621872015 GFVRSSQVXYHMRZ-OLZOCXBDSA-N 225.376 3.530 30 20 BHED C=CCCCCCN(C)C(=O)CCCC1CC1 643214875 JQTQFNPSRBDGRC-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C=CCC(C)(C)c1noc([C@H]2CC23CCC3)n1 645629072 TYRIUXROSKCUIW-SNVBAGLBSA-N 232.327 3.581 30 20 BHED C=CC[C@@H](C)C(C)=NNc1ccccc1 727779774 VFHBDMBDQRCMPR-LLVKDONJSA-N 202.301 3.687 30 20 BHED CC(C)=C(C)C(=O)Nc1sc(C)c(C)c1C#N 757343013 QRQSRMPZZNFENC-UHFFFAOYSA-N 248.351 3.531 30 20 BHED Cc1ccc(F)c(NN=Cc2ccccc2C)c1 759667662 UASFHTZIIROYLB-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C=CCC[C@@H](O)CN(C)c1ccc(C(C)C)cc1 763428136 PIKOKLIAPPOXSX-MRXNPFEDSA-N 247.382 3.573 30 20 BHED Cc1cnc(CSc2cccc(C#N)c2)s1 771562491 FVLZUWOUZXLYSO-UHFFFAOYSA-N 246.360 3.616 30 20 BHED CCCCCCCC(=O)N1CC[C@H](C)[C@@H]1CC 772870672 YVOTZVBVWIQYCQ-KBPBESRZSA-N 239.403 3.994 30 20 BHED Fc1ccc(/C=C\C=NOC2CCCC2)cc1 774607613 GNKFDAFFDIHKCV-DINFGWAUSA-N 233.286 3.784 30 20 BHED CCCCCC(C)=NOCCC(F)(F)F 777464458 VRPSDXAZCKAFDL-UHFFFAOYSA-N 225.254 3.912 30 20 BHED CC[C@H](C)NN=C(C)C[C@H](C)CC(C)C 790181541 FFEBCSXZRDGIAG-NEPJUHHUSA-N 212.381 3.823 30 20 BHED CCCCOc1ccccc1C=NN[C@H](C)CC 790187496 BUTNHKLIFBHHKQ-CYBMUJFWSA-N 248.370 3.588 30 20 BHED Cc1cccc(NN=C2CCC[C@H]2CCF)c1 794855432 TURTUUQYECSMOC-LBPRGKRZSA-N 234.318 3.923 30 20 BHED CC1=CCC[C@@H](C)[C@H]1C=NNc1cccc(F)n1 795009289 ZLAQYWAMXAMNMO-NEPJUHHUSA-N 247.317 3.611 30 20 BHED C=CCC1(NC[C@@H]2CC2(Cl)Cl)CCCC1 852589385 OSPOGAQIOYEAJK-JTQLQIEISA-N 248.197 3.659 30 20 BHED CCCCCCCNc1ncc(C(F)F)cn1 858650834 ZNIGNUQFFROARS-UHFFFAOYSA-N 243.301 3.797 30 20 BHED CC[C@H]1CCN(CCCCC2(C#N)CCC2)C1 929824421 WQTCZQAFAYLOJR-AWEZNQCLSA-N 234.387 3.582 30 20 BHED C[C@H](CCC#N)CNC[C@H]1CCCC(C)(C)C1 1560889003 LCQMNBPXRIMSAA-KGLIPLIRSA-N 236.403 3.732 30 20 BHED CCC(CC)C(C)=NNc1ccc(C(=O)O)cc1 1776013791 QHOJKXWPMLBJDR-UHFFFAOYSA-N 248.326 3.609 30 20 BHED Cc1ccc(Nc2cccc(F)c2C#N)cc1F 60991502 BWLWFLKMHOEGHH-UHFFFAOYSA-N 244.244 3.889 30 20 BHED Cc1ccc(Sc2ccnc(C#N)c2)cc1C 61815501 VOBJNKNPBYNHHP-UHFFFAOYSA-N 240.331 3.721 30 20 BHED N#Cc1ccc(CSCC2CCCC2)cc1 62836027 XGBIRUFAWNVXFO-UHFFFAOYSA-N 231.364 3.982 30 20 BHED C=C(C)COc1ccccc1SCC 92919697 SXFVKVWWOGLHBV-UHFFFAOYSA-N 208.326 3.754 30 20 BHED C=C(C)CN(CC)C(=O)c1c(C)cc(C)cc1C 120590154 JKZXFUQYAQYUBM-UHFFFAOYSA-N 245.366 3.650 30 20 BHED CC#CCCN1CCC[C@H]1c1ccccc1C 155134438 OUUMQVAEBANVBC-INIZCTEOSA-N 227.351 3.545 30 20 BHED C=C(C)CNC(=O)C[C@H](CC)c1ccc(C)cc1 161036055 NVMYKJUXGMGNIU-AWEZNQCLSA-N 245.366 3.571 30 20 BHED C=CC[C@H](C)N[C@@H](CC)c1ccccc1F 163181616 IGLMGZWBQFTWSG-FZMZJTMJSA-N 221.319 3.831 30 20 BHED Cc1ccc(F)cc1N[C@@H]1CCC[C@@H](C#N)C1 185735522 RUAQAGIEMVYDMZ-DGCLKSJQSA-N 232.302 3.628 30 20 BHED C=CCC1(C(=O)N2CCC[C@](C)(CC)C2)CCC1 188425351 SZCNEMKWLJZPRB-HNNXBMFYSA-N 249.398 3.772 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccccc1OCC 191797025 XKHDNUPISFXNGV-OAHLLOKOSA-N 247.338 3.626 30 20 BHED N#C[C@H]1CCC[C@@H](NCCC2=CCCCCC2)C1 193294389 CGZUVGXIPGLRIB-JKSUJKDBSA-N 246.398 3.939 30 20 BHED CCC(CC)(CC)NCc1cccc(C#N)c1F 223564566 GCIOVBLFWMFPPS-UHFFFAOYSA-N 248.345 3.756 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCC[C@@H](C)C1 248888369 YEUUWSKLSLCMRO-VNHYZAJKSA-N 237.387 3.626 30 20 BHED CC(C)C[C@@H](C)OC(=O)Oc1ccccc1C#N 294547196 WGEIUTDFQIQAJF-LLVKDONJSA-N 247.294 3.508 30 20 BHED CC(C)(C)CCCCNc1ccc(C#N)cn1 301195396 NHXALFHHEPOBCL-UHFFFAOYSA-N 231.343 3.582 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)CCC1CC1 308818857 BIGVGKSNEMLFDQ-RWMBFGLXSA-N 209.377 3.755 30 20 BHED C[C@]1(C(O)=Nc2ccc3ccoc3c2)CCCO1 329839349 NTMPFRWVYQQERO-CQSZACIVSA-N 245.278 3.590 30 20 BHED C=CC[C@@H](C)N[C@H]1CCCc2ccc(C)cc21 340542286 LTIPNHMUYWCIRK-CJNGLKHVSA-N 229.367 3.927 30 20 BHED C=CC[C@H](CC)NC(=O)c1sccc1C1CC1 341656947 UQPZKZKVQFKFGS-NSHDSACASA-N 249.379 3.710 30 20 BHED C=CCN[C@H](CC(C)C)c1ccccc1OCC 342230241 MGOPVMUDPBTRCR-OAHLLOKOSA-N 247.382 3.948 30 20 BHED C[C@H]1CC[C@H](N(C)CCCCC(C)(C)C#N)C1 444707887 QMHDJULYJQNVPY-KBPBESRZSA-N 236.403 3.827 30 20 BHED C=CCC1(C(=O)N[C@@H](C)CC(C)(C)C)CCC1 457199731 WEKXLMWCLHOYLL-LBPRGKRZSA-N 237.387 3.674 30 20 BHED N#Cc1ccn(C/C=C/c2ccc(Cl)cc2)c1 468399020 FBSOLSHAQVTHOO-OWOJBTEDSA-N 242.709 3.727 30 20 BHED CC[C@@H](CC#N)NC[C@H](C)CC1CCCCC1 545875642 NHBFCVDYVVONCC-HIFRSBDPSA-N 236.403 3.875 30 20 BHED C=C(C)c1ccc(C2(C#N)CCC2)s1 592577228 NSKNLVMQJYQTCD-UHFFFAOYSA-N 203.310 3.726 30 20 BHED C=CCN(CCCCC(C)(C)C#N)C(C)(C)C 595765285 JOLNHIQUCOGJMV-UHFFFAOYSA-N 236.403 3.993 30 20 BHED C[C@H](CCC#N)CNc1ccc(C2CC2)cc1 602584175 XOIPTUOHXYYEMN-GFCCVEGCSA-N 228.339 3.916 30 20 BHED C=CCC[C@H](CC)N[C@@H]1CCc2ccc(O)cc21 658238845 LBALUXWGUXYLCE-XJKSGUPXSA-N 245.366 3.714 30 20 BHED C=CCOC(=O)[C@H](CC(C)C)c1ccccc1 741052331 WVMNQAYBNQQVKY-CQSZACIVSA-N 232.323 3.546 30 20 BHED CCCCCCCN(CC)Cc1ccccn1 757844423 ZRGLTUXNHHVOLO-UHFFFAOYSA-N 234.387 3.874 30 20 BHED C=CCC(CC=C)C(=O)OCc1cccc(F)c1 758512670 BUHQWXJNQQSFDL-UHFFFAOYSA-N 248.297 3.637 30 20 BHED C#CCNC(c1ccccc1C)c1ccccc1C 760575124 FIRUTIGIAPGVBF-UHFFFAOYSA-N 249.357 3.616 30 20 BHED CC(C)(C#N)CCCCSC1=NCCS1 767034272 RCAUXEAQNWBTFU-UHFFFAOYSA-N 242.413 3.542 30 20 BHED CCCCCCCCNC(=O)C1(F)CCCC1 772182574 KKQXYDSRDCBMDM-UHFFFAOYSA-N 243.366 3.745 30 20 BHED C=C(CC)COC(=O)[C@H](C)c1cccc(C)c1 773516441 YMBAJZCWEFNWOP-CYBMUJFWSA-N 232.323 3.608 30 20 BHED C#CCCN[C@@H](c1ccccc1F)C1CCCC1 775540188 QWDLBCDUOGUJPO-MRXNPFEDSA-N 245.341 3.670 30 20 BHED C[C@@H]1CCCC[C@H]1C=NOCCC(F)(F)F 777462828 NLXUSGAWAUUFRZ-ZJUUUORDSA-N 237.265 3.768 30 20 BHED C=CCN(CC=C)C(=O)C(C)(C)CCCCC 790845533 YMNOMPXNIZXWDQ-UHFFFAOYSA-N 237.387 3.794 30 20 BHED CC[C@H]1CCC[C@@H](C=NOCCSC)C1 794574122 WJJUKBJROZRPCY-NWDGAFQWSA-N 229.389 3.568 30 20 BHED CC[C@H]1CCC1=NNc1cccc(F)c1F 807974240 YWIRFFOKRPVDJG-QMMMGPOBSA-N 224.254 3.553 30 20 BHED CC(=NO[C@@H]1CCCCO1)[C@H]1CCCC[C@@H]1C 834966128 DBXDAPMEMUDADX-FPMFFAJLSA-N 239.359 3.732 30 20 BHED CSCCON=C(C)[C@@H]1CCCC[C@H]1C 834975565 OPGXMZQOJGXECD-ZYHUDNBSSA-N 229.389 3.568 30 20 BHED C=CCCCC(=O)O[C@@H](C)Cc1ccsc1 851146298 TUOJVTRQCHCMDK-NSHDSACASA-N 238.352 3.579 30 20 BHED CCc1ccc(C=NOCc2ccccc2)cc1 853971272 UUUNKQSCVNBENQ-UHFFFAOYSA-N 239.318 3.800 30 20 BHED C=CCCC(=NNc1cccc(C)n1)C1CC1 863159963 LSEHTRNDEHMGQQ-UHFFFAOYSA-N 229.327 3.534 30 20 BHED C=CC(C)(C)CC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 879436542 RWPDBWQVSKUKLI-BFHYXJOUSA-N 249.398 3.626 30 20 BHED C=CC(C)(C)CC(=O)N(C(C)C)C1CCCC1 887937472 WVLPDSCNHRIOEO-UHFFFAOYSA-N 237.387 3.768 30 20 BHED C[C@@H]1CCCC[C@H]1COc1ccc(C#N)c(F)c1 1188789815 YBNUIQVLKMLNBH-YPMHNXCESA-N 247.313 3.902 30 20 BHED C=C(CNC(=O)[C@@H](CC)CCC)c1ccccc1 1274941271 FYXROQKSNKCHFU-AWEZNQCLSA-N 245.366 3.642 30 20 BHED CC(C)(C)ON=Cc1ccccc1C(F)(F)F 1320325979 SYIXYNBMLFLRQB-UHFFFAOYSA-N 245.244 3.854 30 20 BHED C#CCCCCCC(=O)N[C@@H](C)CCC=C(C)C 1328050769 MADZXEOKSSQOEQ-HNNXBMFYSA-N 249.398 3.821 30 20 BHED CN(CC1(CC#N)CC1)[C@@H]1CCC[C@H]1C(C)(C)C 1653938636 SSHWPRJKZIEBCP-ZIAGYGMSSA-N 248.414 3.827 30 20 BHED C[C@@H](CCC#N)CN1CCC(C2CCCC2)CC1 1657177436 WLPCRNPUVUEPEP-AWEZNQCLSA-N 248.414 3.828 30 20 BHED C=CCNc1ccc(OCc2ccccc2)cc1 41579064 CZKFOMVYQDSFSV-UHFFFAOYSA-N 239.318 3.864 30 20 BHED COCc1cccc(OCCCC(C)(C)C#N)c1 87609061 CTLRYCOLHIMNSM-UHFFFAOYSA-N 247.338 3.542 30 20 BHED C=CC[C@@H](C)NC/C(C)=C/c1ccccc1 116927380 GPDWBTXDYTWGEK-YPDDLIOESA-N 215.340 3.644 30 20 BHED C=CCCN1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 133161952 SXPMJSZXMKOPFQ-JSGCOSHPSA-N 233.330 3.580 30 20 BHED C=C(Cl)CNCc1c(C)oc2ccccc12 160444165 FNHJRPLLQRSJFR-UHFFFAOYSA-N 235.714 3.583 30 20 BHED C#CCCCN[C@@H](C)c1cccc2ccccc12 169179771 GNLIAAVZXIVAPM-AWEZNQCLSA-N 237.346 3.904 30 20 BHED C=CCN[C@@H](CC)C(C)(C)c1ccccc1 180010251 LQVKIWLOTKTKLE-AWEZNQCLSA-N 217.356 3.518 30 20 BHED Cc1cc(F)ccc1CSCCCC#N 191011923 GKKWFVDVLGGTBP-UHFFFAOYSA-N 223.316 3.671 30 20 BHED C=CCCCCCN(CCC#N)CC(C)C 232583283 OOTQHDNOYBPVQW-UHFFFAOYSA-N 222.376 3.604 30 20 BHED CC[C@@H](C)CSc1nc(C)cc(C)c1C#N 233863056 FGEFUWHFCFPJOQ-SECBINFHSA-N 234.368 3.708 30 20 BHED C=CCC[C@H](C)Nc1ccccc1O[C@@H](C)C#N 273449344 OITUREBYRCGNNE-STQMWFEESA-N 244.338 3.744 30 20 BHED C=CCCCOc1ccc(OCCC)cc1 303732267 ZPCNFUUUQUWNDY-UHFFFAOYSA-N 220.312 3.820 30 20 BHED C=CCCCSC[C@H](C)C(F)(F)F 308285006 YNSNTKDOPTVTLA-QMMMGPOBSA-N 212.280 3.884 30 20 BHED C=CCCCCN[C@H](C)CCc1ccco1 309207487 MXAQZBGXSHBHGR-CYBMUJFWSA-N 221.344 3.547 30 20 BHED C=CCC[C@@H](CCC)NC[C@H]1CCCCS1 310037740 VKWWZOGVLPSJQT-ZIAGYGMSSA-N 241.444 3.997 30 20 BHED C=CCC[C@@H](C)NC[C@@H]1CCCC(F)(F)C1 381470268 OEUKXKDCRDLEFL-VXGBXAGGSA-N 231.330 3.756 30 20 BHED CCC(C)(C)[C@H]1CCCN1CC1(C#N)CCC1 450604513 LCOLJOQHBHDIRN-CYBMUJFWSA-N 234.387 3.581 30 20 BHED C=CCC[C@@H](NCC(C)(C)C=C)C1CC1 453304176 FHDDSWURBCUIRV-CYBMUJFWSA-N 207.361 3.533 30 20 BHED C=CCCCCNC[C@H]1C[C@H]1c1ccccc1 472052698 FWAQSXZRFUGVPX-CVEARBPZSA-N 229.367 3.736 30 20 BHED C=CCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 511838743 QIZQFOMUJQSKJR-ZACQAIPSSA-N 241.378 3.831 30 20 BHED C=CCCN1C[C@@H](C)C[C@H]1c1ccccc1 513241943 NMIBMPONMJUXGB-ZFWWWQNUSA-N 215.340 3.646 30 20 BHED C=CCCCNc1cccc2c1OCC[C@H]2OC 516240681 UGIHBAFMXYGTQV-CQSZACIVSA-N 247.338 3.535 30 20 BHED C=CCCCN1CCc2cccc(F)c2[C@@H]1C 523451114 RRSITGXDZIZIGR-LBPRGKRZSA-N 233.330 3.711 30 20 BHED C=CCCCOc1ccc(CC)cc1OC 535578237 CTAMKUNQDQHZHJ-UHFFFAOYSA-N 220.312 3.603 30 20 BHED C=CCC[C@H](C)NC1(c2ccc(OC)cc2)CC1 544616013 UGOQGKMUESZLGN-ZDUSSCGKSA-N 245.366 3.629 30 20 BHED CC(C)[C@@H](C)N(C)CC#Cc1cccc(Cl)c1 562487088 ZDBZRAXTYXWXQP-CYBMUJFWSA-N 249.785 3.668 30 20 BHED COc1cccc(CSCC2(CC#N)CC2)c1 594888504 ZFVFCKFDSXGSHY-UHFFFAOYSA-N 247.363 3.622 30 20 BHED Cc1ccc2c(c1)CC[C@@H]2NC[C@@H](C)CCC#N 602519992 COQDLHZQBASKDM-BBRMVZONSA-N 242.366 3.512 30 20 BHED C=CCCN(C)CCCCc1ccccc1 606895940 HMNCJDWJSBFZHF-UHFFFAOYSA-N 217.356 3.517 30 20 BHED COc1ccc(C#N)cc1N[C@@H](C)CC1CCC1 613541220 SSLDGTKGADNPLO-NSHDSACASA-N 244.338 3.557 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccsc1 669861462 IBHCYUFUXDEUTL-GXFFZTMASA-N 237.368 3.528 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCc2ccc(C)cc21 680473859 DUSZIBQIOXVGOW-XJKSGUPXSA-N 229.367 3.927 30 20 BHED CCCCNN=C(CC1CC1)c1ccccc1 735971912 CBINTAYBVMYASG-UHFFFAOYSA-N 230.355 3.581 30 20 BHED C#Cc1cccc(Nc2nc(CCC)cs2)c1 738412866 JQHSXEGVCDOYTB-UHFFFAOYSA-N 242.347 3.821 30 20 BHED CCCCCCCCC(=O)NCCC1CC1 742775876 BCHPWHCOZHBMIM-UHFFFAOYSA-N 225.376 3.653 30 20 BHED CC(C)[C@@H]1CCCCC1=NO[C@@H]1CCCCO1 755815373 RRNOXKSETZDRQR-GXTWGEPZSA-N 239.359 3.732 30 20 BHED C#CCCCN[C@@H](C)c1ccc(SCC)cc1 756928894 VYGFTAQDNQICBP-ZDUSSCGKSA-N 247.407 3.863 30 20 BHED CC(=NNc1cccc(C#N)c1)c1ccc(C)cc1 767335984 KRXAXMWILGZWRR-UHFFFAOYSA-N 249.317 3.703 30 20 BHED C=C(C)COC(=O)[C@H](c1ccccc1)[C@H](C)CC 794004172 NAQXSDRXVNFKFD-HIFRSBDPSA-N 246.350 3.936 30 20 BHED C=CCCCCCCCNC(=O)/C=C\SC 813256701 JEWUEOARBVMQRQ-BENRWUELSA-N 241.400 3.506 30 20 BHED Cc1cccc2c1[C@@H](C)CC2=NOCC1CC1 814243556 CDWVAOWBZPFPKX-NSHDSACASA-N 229.323 3.633 30 20 BHED CCCCCCCCNc1nnc(C(F)F)o1 814364589 IJWUIYOSKLCTNE-UHFFFAOYSA-N 247.289 3.780 30 20 BHED Clc1ccc(NN=C2CC3(CC3)C2)cc1 814683735 NQURGJVQPUOVBJ-UHFFFAOYSA-N 220.703 3.682 30 20 BHED CCCCNN=Cc1ccc(C2CCC2)cc1 814805718 LTUFCLKWFWXBDB-UHFFFAOYSA-N 230.355 3.678 30 20 BHED CC1=C(C)C[C@@H](C(=O)O[C@@H](C#N)C(C)(C)C)CC1 842753598 IBWPJPCIPRZACT-STQMWFEESA-N 249.354 3.604 30 20 BHED CCC(=NNc1ccnc(Cl)c1)[C@@H]1C[C@@H]1C 853396528 BKFLXDPOGKCOPY-WCBMZHEXSA-N 237.734 3.569 30 20 BHED CC(C)CC=NNc1nc2ccccc2s1 863950609 DOXTYUWUZFHACE-UHFFFAOYSA-N 233.340 3.740 30 20 BHED Cc1cc(C)c([C@H](C)NCC2(C#N)CC2)cc1C 903101892 OXKACJJCSCOMSN-AWEZNQCLSA-N 242.366 3.566 30 20 BHED CC(C)C[C@H]1CCCCN1CC1(CC#N)CC1 1473252661 RBVSYYFCRKFJNA-CQSZACIVSA-N 234.387 3.581 30 20 BHED C=CC[C@H]1CC[C@H](Nc2cccc(C(=O)O)c2)C1 1602851659 SQGBEIANNHCBAT-FZMZJTMJSA-N 245.322 3.542 30 20 BHED N#Cc1ccc(CSc2ccc(O)cc2)cc1 37995575 UYDIKNOKOYEETI-UHFFFAOYSA-N 241.315 3.556 30 20 BHED CC[C@H](CC#N)N[C@@H](C)c1ccc2c(c1)CCC2 54183272 QURSDKRXZSPWNQ-BLLLJJGKSA-N 242.366 3.518 30 20 BHED CCOc1cccc(/C=C/C(=O)c2ccco2)c1 83201385 QFYOSDHFLOWBEN-CMDGGOBGSA-N 242.274 3.574 30 20 BHED Cc1ccc(C)c(OCC2(CC#N)CC2)c1C 88272127 FHASSYRXGJQUQD-UHFFFAOYSA-N 229.323 3.685 30 20 BHED CC[C@@H]1CCC[C@H](Nc2nccc(C)c2C#N)C1 135081748 XVZYKOOUMSYRBR-OLZOCXBDSA-N 243.354 3.642 30 20 BHED C[C@@H]1CC(NCC(C)(C)CCC#N)C[C@@H](C)C1 229696732 WCQZCYRPZDGJKJ-STQMWFEESA-N 236.403 3.731 30 20 BHED CC(C)Oc1ccccc1NCCC(C)(C)C#N 288796781 YNGQYMBXVMBTST-UHFFFAOYSA-N 246.354 3.826 30 20 BHED CC(C)[C@@H](C)Sc1ccc(Cl)c(C#N)n1 301604851 XTLPIJPCNNCBQU-MRVPVSSYSA-N 240.759 3.743 30 20 BHED C=CCCCCNC[C@H](C)c1ccccc1 309359085 YYNAWPNOEJPGDN-AWEZNQCLSA-N 217.356 3.736 30 20 BHED C=C(C)CCNc1cnn(-c2ccccc2)c1C 345342143 JXBDHPCFYDZROI-UHFFFAOYSA-N 241.338 3.559 30 20 BHED CCN(Cc1ccc(C#N)cc1F)[C@@H](C)C(C)C 352804465 QEGDATFRBBBIRU-LBPRGKRZSA-N 248.345 3.564 30 20 BHED C=CCC(CC=C)c1nc(CCC2CC2)no1 357664617 LAIOJPZJIAYBQR-UHFFFAOYSA-N 232.327 3.648 30 20 BHED C=CCC[C@H](NC1CCCC1)c1ccco1 390131543 KCTJSJLJMBPXEY-ZDUSSCGKSA-N 219.328 3.819 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1cccc(OC)c1 393772976 VFYKKDBXFQKDPI-JSGCOSHPSA-N 233.355 3.701 30 20 BHED C=CCC[C@H](NC[C@@H]1CCC(F)(F)C1)C1CC1 430749105 SXJNVURMNDJAAF-YPMHNXCESA-N 243.341 3.756 30 20 BHED CCC(CC)[S@@](=O)CCCCC(C)(C)C#N 435427889 OYQCYZGMRMDOLZ-INIZCTEOSA-N 243.416 3.644 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H](C)CCc1ccco1 532461694 OCRZPHCVXCJIFQ-MJBXVCDLSA-N 235.371 3.791 30 20 BHED C[C@@H]1CC(C)(C)CC[C@@H]1Nc1cnccc1C#N 538741994 GJILIYCHBCBWDF-YPMHNXCESA-N 243.354 3.580 30 20 BHED CS[C@@H](CNc1ccc(C#N)cc1)C(C)(C)C 543134164 NKIMYYHLBXCHFJ-ZDUSSCGKSA-N 248.395 3.748 30 20 BHED C=CCN(C(=O)C1(C)CCCCCC1)C1CC1 544411871 BYXHKOWOJBKYKS-UHFFFAOYSA-N 235.371 3.524 30 20 BHED C=C(C)CN(CC)Cc1ccc(C)cc1C 553835954 DHPUVRKJLIVAPJ-UHFFFAOYSA-N 217.356 3.701 30 20 BHED CC(C)(CC#N)CSc1ccccc1C#N 575936109 LQGJDTRPKCEMND-UHFFFAOYSA-N 230.336 3.590 30 20 BHED C[C@@H](CCC#N)CNCC(C)(C)C(C)(C)C 602670496 OWDVJBKYOJMOBQ-LBPRGKRZSA-N 224.392 3.588 30 20 BHED C=CCCC(C)(C)NC(=O)C[C@H]1CC[C@H](C)C1 620858628 LSSOXLHBIBYBAU-STQMWFEESA-N 237.387 3.674 30 20 BHED C=CCCNC(=O)Nc1c(CC)cccc1CC 665175467 FMXAAZSZSBWNBE-UHFFFAOYSA-N 246.354 3.509 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(C)nc1C 684963434 GSEANPFWCIKKBF-UONOGXRCSA-N 232.371 3.704 30 20 BHED CCC(CC)NN=C1C[C@@H](C)C[C@H](C)C1 747750073 GNWNKMCDUJDZME-QWRGUYRKSA-N 210.365 3.577 30 20 BHED C=CCCCC(=O)OCc1ccccc1Cl 748239867 KZJNHEXSSGNEGQ-UHFFFAOYSA-N 238.714 3.740 30 20 BHED CC(=NOCC(C)C)c1cc(C)sc1C 749631791 QSFSXLNTYBEVOS-UHFFFAOYSA-N 225.357 3.762 30 20 BHED O=C1/C(=C/c2cccs2)Oc2ccc(F)cc21 749745976 JLJIIUAPDSHHCW-GHXNOFRVSA-N 246.262 3.503 30 20 BHED CCCCCCCCNC(=O)[C@H]1CC12CCC2 754850362 MQGQQBXKSTXAME-CYBMUJFWSA-N 237.387 3.653 30 20 BHED CCc1nc2ccccc2n1N=CC(CC)CC 767361766 KIZIZGUSPCDYLL-UHFFFAOYSA-N 243.354 3.869 30 20 BHED Cc1ccc(F)cc1C=NN[C@@H]1CCCC1(C)C 782289755 XIXKFXFBUBVZBH-CQSZACIVSA-N 248.345 3.636 30 20 BHED CCc1ccc(C=NN[C@H](C)C(C)(C)C)s1 793117439 XELGZXCGELCTME-SNVBAGLBSA-N 238.400 3.669 30 20 BHED C=CCC1(c2nc([C@@H](C)CCC)no2)CCC1 809358292 BGKAHVFCMQFKLX-NSHDSACASA-N 234.343 3.971 30 20 BHED c1ccc([C@H]2CCC(=NNC3CCCC3)C2)cc1 814833048 VRTGKYSEADNHEF-AWEZNQCLSA-N 242.366 3.842 30 20 BHED C[C@@H]1CCC(=NNc2cc(F)c(F)c(F)c2)C1 814864206 UKSVUUZRGBKTIQ-SSDOTTSWSA-N 242.244 3.692 30 20 BHED C=CC(C)(C)C(=O)OC[C@@H]1CCCCC1(F)F 835636894 WCADEAFTLSNUBG-JTQLQIEISA-N 246.297 3.567 30 20 BHED C=CCC[C@@H](N[C@H]1C=CCC1)c1ccco1 850510864 WVONHETZATWMGZ-QWHCGFSZSA-N 217.312 3.595 30 20 BHED CC(C)[C@H](C)Sc1nc(C#N)c(Cl)s1 853394223 JJTYUKUUFSKHPW-LURJTMIESA-N 246.788 3.805 30 20 BHED CC(C)c1ccc(C(=O)OCCCCC#N)cc1 912957590 LONYURFMLROSOP-UHFFFAOYSA-N 245.322 3.661 30 20 BHED Cc1cc(NCC(C)(C)C#N)nc2ccccc12 1116522824 YKKVNFZYYZLFMJ-UHFFFAOYSA-N 239.322 3.505 30 20 BHED CCC[C@H](Nc1cc(C)c(C#N)cn1)C1CCC1 1186675345 HXJAMOQNMYKQOE-AWEZNQCLSA-N 243.354 3.642 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccc(F)cc1 1339153802 YQIUIJPFFNYMGF-IAQYHMDHSA-N 249.329 3.605 30 20 BHED C[C@H]1CCC[C@@H](C)[C@@H]1N[C@@H](C#N)c1ccccc1 1350375836 GBGPSZBZEZCCFS-LQKXBSAESA-N 242.366 3.666 30 20 BHED CCCCCCCC(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 1638629318 JULSUGFRQLGYLM-YIYPIFLZSA-N 237.387 3.508 30 20 BHED C[C@@H]1CCCC[C@H]1COc1ccc(C#N)cc1F 1651870177 LMQPUJYZRHXZAY-YPMHNXCESA-N 247.313 3.902 30 20 BHED C=C(C)CSc1nccn1-c1cccc(C)c1 48398148 PJPDYFCVTHSCBT-UHFFFAOYSA-N 244.363 3.849 30 20 BHED C[C@H](Sc1cc(C#N)ccn1)c1ccccc1 77907057 SQMYORCVFTXVLC-NSHDSACASA-N 240.331 3.807 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cc(C)sc1C 161642142 XTNYDFLOTHXCSE-ONGXEEELSA-N 223.385 3.980 30 20 BHED C=CCCCC(=O)Nc1cccc2cccnc12 175175813 UVWFGYAYFQEETA-UHFFFAOYSA-N 240.306 3.530 30 20 BHED C=CCN(CC=C)C(=O)CC1CCCCCC1 178855663 SMBJRYBGJFYXNR-UHFFFAOYSA-N 235.371 3.548 30 20 BHED C=CC[C@H](C)N[C@H]1CCCOc2ccc(F)cc21 180952077 VBUXGLNMDSJEEG-FZMZJTMJSA-N 249.329 3.594 30 20 BHED C=CCCCCCNc1cccc(NC(C)=O)c1 194358786 ATMQBMUGBIYUGN-UHFFFAOYSA-N 246.354 3.803 30 20 BHED CC#CCN1Cc2ccccc2-c2ccccc2C1 202527452 PRVMBRKCGNIWHQ-UHFFFAOYSA-N 247.341 3.693 30 20 BHED C#CCCCN[C@H](CC(C)C)c1ccccc1 226328985 YIMXVDZIMSMAMX-MRXNPFEDSA-N 229.367 3.777 30 20 BHED CCCC[C@@H](C)Nc1cc(F)cc(C#N)c1 227615649 CUTRIHFJSGXDNW-SNVBAGLBSA-N 220.291 3.688 30 20 BHED O=C(/C=C\c1cccs1)c1ccccc1F 254950490 JXKNCBXAGNPJFZ-FPLPWBNLSA-N 232.279 3.783 30 20 BHED Cc1ccoc1C(=O)/C=C\c1cc(F)cc(F)c1 255713953 MJXDZJVFUCUCJE-IHWYPQMZSA-N 248.228 3.762 30 20 BHED CC(C)C[C@H](C)COc1cccc(C#N)c1 304172138 LSJXYTLACFXXMG-LBPRGKRZSA-N 217.312 3.619 30 20 BHED C=CCSCCSc1ccccc1 308283841 ZHWAFGLSRNJWRV-UHFFFAOYSA-N 210.367 3.698 30 20 BHED C=CCSCCN[C@@H](C)CCC=C(C)C 308988738 KLUBPBWGJMDSFL-ZDUSSCGKSA-N 227.417 3.630 30 20 BHED C=C[C@H](C)N[C@@H](CC)c1cccc(Cl)c1O 310017288 LJOLSXQCODNBPA-CABZTGNLSA-N 239.746 3.661 30 20 BHED C=CCCCCN[C@@H](CC)c1ccc(F)cn1 310221787 XGVGQKKTIULXIH-ZDUSSCGKSA-N 236.334 3.618 30 20 BHED CC1(C(O)=Nc2cccc3ocnc23)CCCC1 328864912 BOOKRLDBGIOONT-UHFFFAOYSA-N 244.294 3.996 30 20 BHED N#CC1(CSCCCCC(F)(F)F)CC1 344480129 SFTFGGDRNKQOJS-UHFFFAOYSA-N 237.290 3.756 30 20 BHED C=CCCCC[C@@H](C)NCc1cnccc1C 354587638 UHQDESWUXHZPKT-CQSZACIVSA-N 232.371 3.615 30 20 BHED CCCCCCC[C@@H](C)NCC1(C#N)CC1 381352630 CEBZSOHQFUWOQS-CYBMUJFWSA-N 222.376 3.629 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)CC 424689168 KSNZJROIFCVHSE-NWDGAFQWSA-N 225.376 3.530 30 20 BHED C=CCC(C)(C)c1nc(C(CC)CC)no1 426396138 OJDKKKYAUONYHY-UHFFFAOYSA-N 222.332 3.827 30 20 BHED C=CCC1(CNC(=O)[C@H](C)C2CCC2)CCCC1 457871956 KCJOUXHUANQAOV-CYBMUJFWSA-N 249.398 3.675 30 20 BHED CCN(Cc1ccc(C#N)c(C)c1)CC(C)(C)C 462824890 GZWIDJCKYQZHSI-UHFFFAOYSA-N 244.382 3.735 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C 468008378 ZYUJMKUUYDOJCV-KYEXWDHISA-N 237.387 3.530 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H]1CC12CCCCC2 539432517 ADBHIDUTOKGEJX-UONOGXRCSA-N 249.398 3.818 30 20 BHED C=CC[C@H](C)N[C@H]1c2cc(F)ccc2C[C@@H]1C 540171876 FJZUTTIWYSUIKN-ZIBATOQPSA-N 233.330 3.613 30 20 BHED CC(C)C(CN1CCC(CC#N)CC1)C(C)C 551552621 ONUSCOUEKBEJCH-UHFFFAOYSA-N 236.403 3.540 30 20 BHED C=CCC(C)(C)c1noc(CC2CCCC2)n1 573466523 UQCHGJMPWOTSEP-UHFFFAOYSA-N 234.343 3.656 30 20 BHED Cc1cc(C)cc(/C=C\C(=O)c2ccncc2)c1 588386457 VEWXWEFMYXCESA-ARJAWSKDSA-N 237.302 3.595 30 20 BHED C=C(C)CCOC(=O)CCCc1ccccc1 744304092 DKIHLHUNPSZFGZ-UHFFFAOYSA-N 232.323 3.519 30 20 BHED C=CCC[C@H](O)CN(C)c1ccc(C(C)C)cc1 763428135 PIKOKLIAPPOXSX-INIZCTEOSA-N 247.382 3.573 30 20 BHED COc1cccc(NN=C2CC(C)(C)C[C@@H]2C)c1 766003713 YGYYXMNXJFARNB-NSHDSACASA-N 246.354 3.919 30 20 BHED CC/C=C/CCNc1cc(C#N)ccc1NCC 767606621 BAORORGAWVHPDL-AATRIKPKSA-N 243.354 3.758 30 20 BHED CC(C)CNN=Cc1cc(Cl)cc(Cl)c1 771568182 XJZZZCXIKJSMAE-UHFFFAOYSA-N 245.153 3.573 30 20 BHED Cc1ccc(C)c(C=NOCCC(F)(F)F)c1 777456453 ZUMNOVZBYIDIIW-UHFFFAOYSA-N 245.244 3.606 30 20 BHED C=C(Cl)CN1C[C@@H](C)C[C@H]1c1ccccc1 796621671 UGPYRHBGGYHXPC-FZMZJTMJSA-N 235.758 3.822 30 20 BHED CCCC[C@H](C)C(C)=NO[C@@H]1CCCCO1 807982336 XLDLDNBKQIBYFW-WCQYABFASA-N 227.348 3.732 30 20 BHED CC[C@@H](C)C(C)=NNc1ccc([N+](=O)[O-])cc1C 807988157 BFIKQUDVCKVFMV-SECBINFHSA-N 249.314 3.737 30 20 BHED CCCCCCCC(=O)OCC(=O)C(C)(C)C 864834705 LUQQPXGWQAWQKU-UHFFFAOYSA-N 242.359 3.505 30 20 BHED C=C1CC(c2noc([C@H](C)c3cccs3)n2)C1 896885041 PNDBZOMKVUWMOS-SECBINFHSA-N 246.335 3.717 30 20 BHED C[C@H]1CCC[C@H](C=NNCc2ccc(F)cc2)C1 1116436999 NKDGCENIEKZXRR-JSGCOSHPSA-N 248.345 3.727 30 20 BHED C=C(C)CCNC(=O)[C@@H](C)CCCCCC 1117775383 LNHOOULJVDSUNS-ZDUSSCGKSA-N 225.376 3.675 30 20 BHED C[C@H](CNc1c(C#N)cccc1C#N)C(C)(C)C 1333167580 RGQCADQORBIWKJ-LLVKDONJSA-N 241.338 3.524 30 20 BHED C=C(C)CCC(=O)N(C)c1cc(C)ccc1C 1337744056 QYHSOIYOBOVVSE-UHFFFAOYSA-N 231.339 3.623 30 20 BHED CC[C@H](CC#N)N[C@@H]1CC[C@H](CCC(C)C)C1 1560616338 ZEEJPMRTEHZIJT-RRFJBIMHSA-N 236.403 3.873 30 20 BHED C=C(Cl)CNCc1ccc(C(F)(F)F)cc1 59514975 PBHGFDNVTHSBDS-UHFFFAOYSA-N 249.663 3.548 30 20 BHED C[C@@H]1CC[C@H](Nc2cccc(F)c2C#N)[C@H](C)C1 85089641 SWHMIBAWUQXZEE-GYSYKLTISA-N 246.329 3.934 30 20 BHED CC[C@H]1CCC[C@@H](Nc2snc(C)c2C#N)C1 92912589 VCZFVMPKABEBDU-WDEREUQCSA-N 249.383 3.704 30 20 BHED Cc1ccc(N(CCCC#N)C(C)C)cc1 101550873 DBLXPOIQEQRMFH-UHFFFAOYSA-N 216.328 3.514 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc(C(F)(F)F)cc1 119318465 PRPBAZQXDKAJBC-NXEZZACHSA-N 243.272 3.931 30 20 BHED C[C@@H](NCC1(CC#N)CC1)C1CCCCCC1 150290605 YUXNAPFOEWUIPS-CYBMUJFWSA-N 234.387 3.629 30 20 BHED C=CC1CCN(C(=O)CCCC2CCCC2)CC1 173314394 IRCXMONDTUTACV-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CCC[C@@H](NCCOC(C)C)c1ccccc1 180035872 WTVOWBZDNZYZJP-MRXNPFEDSA-N 247.382 3.709 30 20 BHED CC(C)(C#N)CCCN1CCc2c(F)cccc21 184040586 XVEKWZUMOSOLFG-UHFFFAOYSA-N 246.329 3.518 30 20 BHED C=CCCN[C@@H](C)c1ncc(-c2ccccc2)o1 184880446 RMBRVICXOWYEGJ-LBPRGKRZSA-N 242.322 3.568 30 20 BHED C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1CCCC#N 296705422 MTADTGIINGBNOW-YCPHGPKFSA-N 242.366 3.557 30 20 BHED C=C(C)CNc1ccccc1OC(C)(C)C 309648108 WRJQDTIDGMXXHH-UHFFFAOYSA-N 219.328 3.852 30 20 BHED CSc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1C 336448075 AASSKMIIYLOBNW-NWDGAFQWSA-N 246.379 3.821 30 20 BHED C=CCCCCCCNCc1cnn(C(C)C)c1 385075773 VHZFZNZRZAVWNK-UHFFFAOYSA-N 249.402 3.690 30 20 BHED C=C(CC)CNC(C)(C)c1ccc(F)cc1 390462188 GGYRLRWZBIEYDI-UHFFFAOYSA-N 221.319 3.617 30 20 BHED C=CCCCCCSCC[C@@H]1CCOC1 419497461 NBCQPBIXICJCRF-ZDUSSCGKSA-N 228.401 3.893 30 20 BHED C=CCC[C@@H](C)Nc1cnn([C@H](C)C2CC2)c1 427861246 BUWOWJZXTNAYMR-VXGBXAGGSA-N 233.359 3.621 30 20 BHED C=CCN(CC)[C@@H](CC)Cc1ccc(C)cc1 441344920 JHVFBWPDHPQRMH-INIZCTEOSA-N 231.383 3.824 30 20 BHED CCC[C@@H](CC)NCc1ccc(C#N)c(C)c1 443989115 KIYKBXHCWVDANJ-OAHLLOKOSA-N 230.355 3.535 30 20 BHED C=CCC1(CN[C@@H](C)c2ccccn2)CCCC1 449606234 PYSFOKMJALZPQS-AWEZNQCLSA-N 244.382 3.869 30 20 BHED C=CCCC[C@H](C)NC(=O)C(C)(C)C1CCC1 450428481 WKSHKVKUTVCCKD-LBPRGKRZSA-N 237.387 3.674 30 20 BHED CC(C)[C@@H]1CCC[C@H]1Nc1ccc(CC#N)cc1 468476532 SZDCJBALRXEMNE-JKSUJKDBSA-N 242.366 3.989 30 20 BHED CCCC(C)(C)NCc1ccc(C#N)c(C)c1 487869766 KQOLTOJLOOGKTR-UHFFFAOYSA-N 230.355 3.535 30 20 BHED CCCC[C@@H](NC[C@H](C)CCC#N)C1CCC1 602668889 VGRFLYNRLQUGPE-UKRRQHHQSA-N 236.403 3.875 30 20 BHED C=CCN(C(=O)[C@H](C)c1ccccc1)C(C)(C)C 622945102 RWHIFMVNLPMKRB-CYBMUJFWSA-N 245.366 3.603 30 20 BHED C=C[C@@H](C)NC(=O)c1ccc([C@H](C)CC)cc1 757006428 GYSXPEMBYNZBGU-VXGBXAGGSA-N 231.339 3.504 30 20 BHED O=C(/C=C\c1cncs1)c1ccccc1Cl 767715372 DDNIXANGTDGOMK-WAYWQWQTSA-N 249.722 3.693 30 20 BHED CCC(CC)CNN=Cc1cccc2[nH]ccc12 774479310 XCWLPBXTOXITBD-UHFFFAOYSA-N 243.354 3.528 30 20 BHED C#CCCCCNC(=O)CCCC[C@@H](C)CC 784070835 XSJZPRUSTMIMSA-AWEZNQCLSA-N 237.387 3.513 30 20 BHED CC1(C)CCC1=NNc1ccccc1Cl 788940646 UIADEPOBUUCTJB-UHFFFAOYSA-N 222.719 3.928 30 20 BHED CSCCON=C(C)c1coc2ccccc12 794573867 NQDBSSMVQAYHTM-UHFFFAOYSA-N 249.335 3.536 30 20 BHED CC[C@@H]1CC[C@@H](C)CC1=NNc1ncccc1F 794980731 NRSZZPGLMIPJBK-GHMZBOCLSA-N 249.333 3.835 30 20 BHED CC[C@H]1CCC1=NNc1cc(F)c(F)cc1F 807973752 XUOAGTZKQZGGDK-ZETCQYMHSA-N 242.244 3.692 30 20 BHED C#Cc1ccc(CNc2cccc(Cl)c2)cc1 809597921 REOABOKDRNBZQC-UHFFFAOYSA-N 241.721 3.933 30 20 BHED CC(C)(C)CCNN=C1CC[C@H]1C1CCC1 814901237 FJJGNJDDRQCJOK-LBPRGKRZSA-N 222.376 3.578 30 20 BHED C=CC[C@H]1CCCN(C(=O)[C@H](CC)CCC)C1 824437897 DRSSHCQJSXRCTF-UONOGXRCSA-N 237.387 3.627 30 20 BHED C=CCCC(CCC)=NNc1cccc(C)n1 863160797 RHAYQFRSUBFBLM-UHFFFAOYSA-N 231.343 3.924 30 20 BHED CC(C)CC=NNc1ncc(Cl)cc1Cl 863966593 GYYKINOTOQZDAI-UHFFFAOYSA-N 246.141 3.832 30 20 BHED CCC[C@@H](CC)C(=O)OCC(C)(C)CCC#N 873527566 XRANUWWEFMCOAK-GFCCVEGCSA-N 239.359 3.686 30 20 BHED C=C1CCC(C(=O)N(C)[C@@H](C)c2ccco2)CC1 887973073 OZYMCEXLCGOCJT-LBPRGKRZSA-N 247.338 3.545 30 20 BHED Cc1ccc2c(c1)C/C(=C\c1ccsc1)C2=O 921264465 UNHTYOBZMXBQLD-NTUHNPAUSA-N 240.327 3.879 30 20 BHED CSc1ccc(C=NOC(C)(C)C)s1 1324259016 YTWHSLBUQSVJNA-UHFFFAOYSA-N 229.370 3.619 30 20 BHED CCSCCSCc1ccc(C#N)s1 1327130501 IAIMRLUWLGSTES-UHFFFAOYSA-N 243.422 3.606 30 20 BHED C=C(C)CCC(=O)N(C)c1cccc(SC)c1 1338828579 QGOGKEUWTGSJHX-UHFFFAOYSA-N 249.379 3.728 30 20 BHED C#Cc1cccc(N[C@@H]2CCC[C@@H](C)C2)c1 19876829 ZEHKQEHUUCYVSR-TZMCWYRMSA-N 213.324 3.659 30 20 BHED CC[C@@H](C#N)Sc1nc2ccccc2s1 39246619 DUSROROMOCJOMS-QMMMGPOBSA-N 234.349 3.691 30 20 BHED Cc1ccc(C#N)c(Sc2ccc(F)cc2)n1 43400726 YMVOVUAMIXRTDH-UHFFFAOYSA-N 244.294 3.552 30 20 BHED CCCCCC[C@@H](C)Nc1ccc(C#N)cn1 49217820 ILLSQPAXSOTWEH-GFCCVEGCSA-N 231.343 3.724 30 20 BHED Cc1cccc(CSc2ccc(C#N)cn2)c1 55386276 DOCDIWUHMNFCIF-UHFFFAOYSA-N 240.331 3.554 30 20 BHED CCCCCCCCNCc1ccccc1O 59111328 PDGHEZXMKHAHRY-UHFFFAOYSA-N 235.371 3.842 30 20 BHED Cc1ccccc1C(=O)/C=C\c1cccs1 71618797 LPAJKGBFHILANB-HJWRWDBZSA-N 228.316 3.953 30 20 BHED C[C@H]1CC(Nc2cccc(F)c2C#N)C[C@H](C)C1 84463708 YYKBRTAGAGPMCV-GHMZBOCLSA-N 246.329 3.934 30 20 BHED Cc1ccc(CN(CC#N)C2CCCC2)c(C)c1 93563279 CUYUIYSPTKMKSI-UHFFFAOYSA-N 242.366 3.572 30 20 BHED C=CCCCC(=O)O[C@@H](C)c1ccccc1 174914885 WTEULGKYOSQLIR-LBPRGKRZSA-N 218.296 3.647 30 20 BHED C=CCC(CC=C)C(=O)N[C@H]1CC12CCCCC2 180629913 JYJBBSALJDQSPO-AWEZNQCLSA-N 247.382 3.594 30 20 BHED C[C@H](CC1CCCCC1)CN1CCC(C#N)CC1 183309733 AXTPHZUGMCLHJZ-CQSZACIVSA-N 248.414 3.828 30 20 BHED C=CCCN[C@@H](C)c1cccc(C)c1C 183715468 NGPQCFSUPJYYBT-ZDUSSCGKSA-N 203.329 3.530 30 20 BHED CCCCCCC[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H]1O2 185525035 MGNHKKHFSWVVBI-TUVASFSCSA-N 239.403 3.645 30 20 BHED CC(C)CC(C)(C)CN[C@H]1CCC[C@@H](C#N)C1 185853628 IVLYCVAFRNWFAP-KGLIPLIRSA-N 236.403 3.731 30 20 BHED C=CC[C@H](C(=O)NCC(C)(C)C)c1ccccc1 187082207 RMXXIYIAHYYQEB-AWEZNQCLSA-N 245.366 3.509 30 20 BHED C[C@H](NCC(C)(C)CCC#N)C1CCCCC1 229694725 BOHBZXKBTXJWTL-ZDUSSCGKSA-N 236.403 3.875 30 20 BHED Cc1ccc(F)c(/C=C\c2ccc(C#N)cn2)c1 255670885 PBZLWLFEXVPTET-XQRVVYSFSA-N 238.265 3.571 30 20 BHED C=C(CC)CNc1ccc(C2CC2)cc1 309045889 ONUBGDDFKGIXHL-UHFFFAOYSA-N 201.313 3.942 30 20 BHED C=CCCN[C@@]1(c2ccc(Cl)cc2)C[C@H]1C 309761615 ITSWDYLLAGNELQ-RISCZKNCSA-N 235.758 3.741 30 20 BHED CCCC[C@H](C)N(C)Cc1cccc(C#N)c1F 311192551 FBWNXLYIDJVNBV-LBPRGKRZSA-N 248.345 3.708 30 20 BHED C=C(CC)CSCc1csc(C)n1 334163675 UOCWKPWQCXVEHP-UHFFFAOYSA-N 213.371 3.651 30 20 BHED C[C@@H](S[C@H]1CCCOC1)c1ccc(C#N)cc1 334188185 GCRQZXFVCOTPCF-RISCZKNCSA-N 247.363 3.531 30 20 BHED CCC[C@@]1(C)CCCN([C@@H](C)CCC#N)C1 411294615 ILMPIYZATXHHCC-KBPBESRZSA-N 222.376 3.581 30 20 BHED C=CCCSCCOCC1CCCC1 419420653 KCVYYHIHGDQESE-UHFFFAOYSA-N 214.374 3.503 30 20 BHED C[C@H](c1cccc(C#N)c1)N(C)[C@H]1C=CCCC1 425530046 DETYLLHFGJXFMW-CJNGLKHVSA-N 240.350 3.660 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H](C)CCCC(C)C 429913918 LINYYMIWXYAJEP-ZDUSSCGKSA-N 239.403 3.920 30 20 BHED C[C@H]1CCC[C@H](CNC2CCC(C)(C#N)CC2)C1 449091694 KDYSTJQNDITDRX-FXQLRMTLSA-N 248.414 3.875 30 20 BHED CC#CCCN(C)[C@H](C)c1cccc(Cl)c1 462326390 KSYQNYQHQZMCLI-GFCCVEGCSA-N 235.758 3.746 30 20 BHED CCC[C@H](CC)Sc1ncccc1C#N 480844405 JUYBFEMXKKWHBM-NSHDSACASA-N 220.341 3.624 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H](C)CC1 504919166 JUJGOXCGOHRXOL-CHWSQXEVSA-N 237.387 3.674 30 20 BHED C=C(C)CN(CC)C(=O)CC1CCC(C)CC1 524523796 QIOVSKISMHWXHW-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CCCN(Cc1ccc(OCC)cc1)C(C)C 549040729 NZYJQMKDPFPQAW-UHFFFAOYSA-N 247.382 3.872 30 20 BHED C=CCCC[C@H](C)NC(=O)c1occc1C(C)C 559619972 OKWICTZNNGRFDO-LBPRGKRZSA-N 249.354 3.878 30 20 BHED CC1(C)CC[C@@H](Sc2ccc(C#N)cn2)C1 566095713 FXWCUXKWSWGZTR-LLVKDONJSA-N 232.352 3.624 30 20 BHED Cc1cc(SCC[C@H](C)F)ccc1C#N 581190593 SISZRMJRRFQVEY-JTQLQIEISA-N 223.316 3.707 30 20 BHED Cc1ccc(F)cc1/C=C\C(=O)c1occc1C 588394430 XCGFRVUEVUGNNA-XQRVVYSFSA-N 244.265 3.932 30 20 BHED CCCC[C@H](CC)NCCc1ccc(C#N)cc1 595056012 OQWRCFRKOGWWSD-INIZCTEOSA-N 244.382 3.659 30 20 BHED CC[C@@H]1CCCC[C@@H]1c1noc([C@H](C)CC#N)n1 596603544 WBSGEDVWXVQPBI-UTUOFQBUSA-N 247.342 3.771 30 20 BHED Cc1cccc([C@H](C)NC[C@H](C)CCC#N)c1C 602546173 PMHNPTFEBINXQK-DOMZBBRYSA-N 244.382 3.894 30 20 BHED Cc1cscc1N[C@@H](C#N)Cc1ccccc1 610968003 RWMCEIRLYYCZRV-CYBMUJFWSA-N 242.347 3.603 30 20 BHED C=C(CC)CN1CCc2cc(F)ccc2[C@H]1C 678624744 PACABYVJMUGGPG-GFCCVEGCSA-N 233.330 3.711 30 20 BHED CCC#C[C@H](C)N1CCC(c2ccsc2)CC1 681606256 JXPOQSGSQCOVIA-ZDUSSCGKSA-N 247.407 3.729 30 20 BHED C=CCC[C@@H](C)NCc1cccc2ncccc12 720473287 QWPIVKNUKZMEPF-CYBMUJFWSA-N 240.350 3.679 30 20 BHED C=CCCCOC(=O)c1sccc1SC 735532275 CTAMTBDYJDPCLQ-UHFFFAOYSA-N 242.365 3.593 30 20 BHED CC(=NNc1ccccc1Cl)C1CCC1 747624329 LXZXESFWYVYAHV-UHFFFAOYSA-N 222.719 3.928 30 20 BHED CCCNN=C1CC(c2cccc(Cl)c2)C1 753923576 DWRQAIXDTIAIAQ-UHFFFAOYSA-N 236.746 3.573 30 20 BHED Clc1ccc(NN=CC2CC2)c(Cl)c1 755562871 NWFGRSWCHRQLJB-UHFFFAOYSA-N 229.110 3.801 30 20 BHED C=C[C@@H](CC(=O)OCCCC)c1ccccc1 758908274 PTBPGBACVFTGQW-ZDUSSCGKSA-N 232.323 3.690 30 20 BHED CCCCNN=C1C[C@@H](c2ccccc2)C1(C)C 768482993 MIQUNIYFUCCDDY-AWEZNQCLSA-N 244.382 3.946 30 20 BHED C=CCN(Cc1cccc(Cl)c1F)C(C)C 768549943 GWHZLGAKPQMTOH-UHFFFAOYSA-N 241.737 3.876 30 20 BHED C#CCCCCC(=O)O[C@@H](C)c1ccccc1C 773771829 KWZPCSTYULNLJK-AWEZNQCLSA-N 244.334 3.793 30 20 BHED C=C[C@H]1CCCCN1C(=O)C1CCCCCCC1 785858660 UGKFBAZIGMCHBT-HNNXBMFYSA-N 249.398 3.914 30 20 BHED CCC(CC)CNN=Cc1ccc2occc2c1 794931106 QOEXPNJBTDSSEU-UHFFFAOYSA-N 244.338 3.793 30 20 BHED C/C(=C/Cl)CSc1cccc(F)c1C#N 797829921 RVIUDORIBBOPNS-YVMONPNESA-N 241.718 3.932 30 20 BHED C#CCCN(C[C@H](C)CC(C)C)CC(F)(F)F 799165470 XMVGXGNWUCNCDU-GFCCVEGCSA-N 249.320 3.556 30 20 BHED CCCOc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 799723053 YKTYBARCXBPLGT-JSGCOSHPSA-N 244.338 3.580 30 20 BHED c1ccc2c(c1)CCCCC2=NOCC1CC1 814243640 HOUWLBDWGFFHIQ-UHFFFAOYSA-N 229.323 3.544 30 20 BHED C#CCCc1noc(/C(F)=C\C2CCCCC2)n1 815673804 CBIDJVSRSMFNGN-ZRDIBKRKSA-N 248.301 3.526 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C=C(/C)c1ccco1 831732678 MJPGOEDAPCSBIF-YLGBQOPLSA-N 247.338 3.544 30 20 BHED C=C(Cl)CNc1ccc(CC(F)(F)F)cc1 849315228 YVGYIVWRTNKNFK-UHFFFAOYSA-N 249.663 3.956 30 20 BHED CCCCCCCCN(C)CC1=CCCOC1 852518833 PPNXJNHEZCSEOT-UHFFFAOYSA-N 239.403 3.625 30 20 BHED C=CC[C@@H]1CCCCC1=NN[C@@H](C)C(F)(F)F 853353907 OVNHBFWHEWCPKO-VHSXEESVSA-N 248.292 3.649 30 20 BHED C#CCCCSC[C@H]1CCCCC1(F)F 853770875 QOOIIRGZDXEAJG-LLVKDONJSA-N 232.339 3.959 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1ccccc1O 877756274 DVWRFHUWEWWICL-YNEHKIRRSA-N 233.355 3.644 30 20 BHED CCC[C@@H](C)c1noc(-c2csc(C#N)c2)n1 1326622470 HIRCTUYPJVHVEQ-MRVPVSSYSA-N 247.323 3.573 30 20 BHED Cc1cc(CSCCCCC#N)cs1 1331978938 IIDGSZNBJRPIJB-UHFFFAOYSA-N 225.382 3.984 30 20 BHED C=C(C)CCC(=O)N1CC=C(C(C)(C)C)CC1 1337201327 RLKWUPJKYUQMEZ-UHFFFAOYSA-N 235.371 3.548 30 20 BHED C=C(C)CCC(=O)N1Cc2ccccc2[C@H]1CC 1337688095 YGZHSHMTIXVZMS-OAHLLOKOSA-N 243.350 3.836 30 20 BHED C=C(CC)C(=O)N1CC(C)(C)[C@H]1c1cccs1 1521591842 CAJQAXVTTXOQEJ-GFCCVEGCSA-N 249.379 3.624 30 20 BHED SCc1cc(Cl)ccc1Br 15442945 LYXWKQLBVLCGOA-UHFFFAOYSA-N 237.549 3.532 30 20 BHED CC(C)(C#N)Cc1ccccc1Br 83775578 IDTLXHTXEHPDLT-UHFFFAOYSA-N 238.128 3.541 30 20 BHED C#CCCCCN[C@H](C)c1cccc(Cl)c1 130725292 ZGYGHXQVXZOGNW-GFCCVEGCSA-N 235.758 3.794 30 20 BHED C=CCCN1CCCCC[C@@H]1c1ccco1 133159506 WKLLCPWLDLODNZ-CYBMUJFWSA-N 219.328 3.773 30 20 BHED C=CCCCOc1cccc2c1OC(C)(C)C2 140505043 VPYUQTPDPUOKRM-UHFFFAOYSA-N 232.323 3.745 30 20 BHED C=CCCCCCN(C)C(=O)C[C@H]1C=CCC1 156775926 GTTFHCUDQJDFIF-AWEZNQCLSA-N 235.371 3.548 30 20 BHED C=CCCCC(=O)Nc1cc(C)c(O)c(C)c1C 185832373 FWMMKNCMUPYBNR-UHFFFAOYSA-N 247.338 3.612 30 20 BHED C[C@H]1C[C@H](C)CC[C@H]1Nc1ccc(CC#N)cc1 221891196 CLSSUNMUTPZRPT-DVOMOZLQSA-N 242.366 3.989 30 20 BHED C=CCCC[C@@H](C)Nc1ccnc(C)c1 302503757 VVWHPNLJHVYHEM-LLVKDONJSA-N 204.317 3.547 30 20 BHED C=C(CC)CN[C@@H]1CCC[C@H](C(F)(F)F)C1 313476869 BHJPVTXEEKCREX-WDEREUQCSA-N 235.293 3.663 30 20 BHED C=C(CC)CN[C@@H](C)c1csc(C)c1 313494350 HGAWJRSVNMLTDV-NSHDSACASA-N 209.358 3.673 30 20 BHED N#Cc1cnccc1/C=C/c1ccc(Cl)s1 349113592 RVLXRVYLFHGNRV-OWOJBTEDSA-N 246.722 3.839 30 20 BHED C=C(C)CCN[C@@H](c1ccccc1)C(F)(F)F 387419962 NAPZVWSRUIFJKU-LBPRGKRZSA-N 243.272 3.846 30 20 BHED C=CCN(CCC#N)[C@@H](C)c1ccccc1Cl 428847102 SQNQFTRXBBJVMG-LBPRGKRZSA-N 248.757 3.803 30 20 BHED C=CCCCC[C@@H](C)NCc1cnc(C2CC2)o1 449708768 WLFZUSXVQOJCGZ-GFCCVEGCSA-N 248.370 3.777 30 20 BHED N#Cc1c(Cl)cccc1N[C@H]1CC[C@@H](F)C1 450534803 IDNUBGKLVKFHOG-BDAKNGLRSA-N 238.693 3.514 30 20 BHED CCC[C@H](CC)S[C@@H]1CC[C@@H](C#N)C1 450939278 KTTXACAWKISXFH-GRYCIOLGSA-N 211.374 3.991 30 20 BHED C=CCC[C@@H](CC)N[C@@H](C)CCc1ccco1 461819054 SHSLCYCSDPFEKZ-UONOGXRCSA-N 235.371 3.935 30 20 BHED C=CC[C@@H](CC)NCCSCc1ccccc1 467518611 AUJMEZHQXAYPDW-OAHLLOKOSA-N 249.423 3.864 30 20 BHED C=CCCCCNC(=O)CCCC1CCCC1 471708761 GYMXXKPORXBYOD-UHFFFAOYSA-N 237.387 3.819 30 20 BHED C=CCC[C@H](C)NCc1ccc([C@H]2C[C@@H]2C)o1 543600138 BVLVQOFEGYDFSO-OBJOEFQTSA-N 233.355 3.847 30 20 BHED C=CCCc1noc(-c2cccc(C3CC3)c2)n1 583641640 WROLTBGUCJCQFM-UHFFFAOYSA-N 240.306 3.733 30 20 BHED CC(C)(C#N)CCCn1ccc(C(C)(C)C)n1 596285763 OPYFVTGLQGXJHV-UHFFFAOYSA-N 233.359 3.511 30 20 BHED N#Cc1c(Cl)cccc1N1C[C@@H]2CCCC[C@@H]21 596295030 NQKBIGFIQIRSTJ-GWCFXTLKSA-N 246.741 3.590 30 20 BHED CCc1ccccc1NC[C@H](C)CCC#N 602495839 XTXUUOYEMTYPIP-GFCCVEGCSA-N 216.328 3.601 30 20 BHED C[C@@H](CCC#N)CNCC[C@H](C)c1ccccc1 602527461 QXYYOSOMYWKZKI-GJZGRUSLSA-N 244.382 3.710 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@H](C)CCCC)C1 617778524 ILSQLLYZAJXMOP-ZIAGYGMSSA-N 237.387 3.627 30 20 BHED C=CC[C@H](C)[C@@H](C)NC1(C2CCC2)CC1 652272512 OHHGEQOWNAIZEO-NWDGAFQWSA-N 207.361 3.509 30 20 BHED C[C@H](CC(C)(C)C#N)NCCCc1ccccc1 695781080 WUXDWCOGSZDMTR-CQSZACIVSA-N 244.382 3.537 30 20 BHED CC/C=C(/C)C(=O)O[C@H](C)c1cccc(C#N)c1 729904171 AAJIXSBOWYRPBD-HUMZTAOYSA-N 243.306 3.519 30 20 BHED C=CCCCOC(=O)c1c(C)[nH]c2ccccc12 735527941 MFVGWJQEMIZYIL-UHFFFAOYSA-N 243.306 3.599 30 20 BHED C#CCCS[C@@H]1CCCc2ccccc21 751772471 GYSLANJBULXCCV-CQSZACIVSA-N 216.349 3.821 30 20 BHED CC(C)CNN=C1CCC[C@H]1Cc1ccccc1 771568184 XMDHIQXHVASQRG-HNNXBMFYSA-N 244.382 3.631 30 20 BHED CC[C@H]1CCCC1=NOCCC(F)(F)F 777461483 YHTDSTNLIVCLTG-QMMMGPOBSA-N 223.238 3.522 30 20 BHED Cc1ccc(F)cc1C=NNc1ccccc1 777880960 KDXOFWIHIYZJSF-UHFFFAOYSA-N 228.270 3.580 30 20 BHED CC(=NNc1cc(C)ccc1C)[C@@]1(C)CCCO1 782165102 ABOATQIJULOSQG-OAHLLOKOSA-N 246.354 3.660 30 20 BHED CSCCON=C1CCC(C(C)(C)C)CC1 794573700 HSQHQXPTTIAFID-UHFFFAOYSA-N 243.416 3.958 30 20 BHED C=CCCCCOC(=O)/C=C/c1ccsc1 811011525 AOTVHZRNGXGSPY-VOTSOKGWSA-N 236.336 3.661 30 20 BHED CC[C@@H]1CCC[C@H](C=NOC2CCC2)C1 812235912 RYWBEDIMAANGOF-NEPJUHHUSA-N 209.333 3.758 30 20 BHED CCC(=NNc1cc(C)ccn1)C1CCCC1 834965329 ZEUBELRYOBFRLR-UHFFFAOYSA-N 231.343 3.758 30 20 BHED COc1cccc(NN=C(C)CCCCC#N)c1 841617389 KZHDETOMHOQCLA-UHFFFAOYSA-N 245.326 3.567 30 20 BHED C=C(C)CNC(=S)Nc1ccc(CCC)cc1 916119193 OBFRUUVQZZBDNB-UHFFFAOYSA-N 248.395 3.502 30 20 BHED C=CCC[C@H](CCC)Nc1cccc(C(=O)O)c1 1588778257 ZERNFONCPWSWBR-ZDUSSCGKSA-N 247.338 3.932 30 20 BHED C[C@@H]1C[C@H](c2ccccc2F)N(CCCC#N)C1 75900216 VADRZNQMXXOLCW-IUODEOHRSA-N 246.329 3.512 30 20 BHED C[C@@H](CC1CCC1)N[C@H](C)c1ccc(C#N)cc1 129596551 CMBMDIICXBZIIA-QWHCGFSZSA-N 242.366 3.788 30 20 BHED C=CCC[C@@H](C)Nc1ccc(OC)c(OCC)c1 130606756 QGTWMOORVREMAX-GFCCVEGCSA-N 249.354 3.861 30 20 BHED CCCc1ccc(NC(=O)[C@@](C)(C#N)CC)cc1 136189204 XWSPHNCQSXGCBQ-OAHLLOKOSA-N 244.338 3.517 30 20 BHED CCCCCCCCN1CCC[C@H]1C[C@@H](C)O 158763702 ISORJEMXNGAITQ-CABCVRRESA-N 241.419 3.582 30 20 BHED N#Cc1ccc(O[C@H]2C=CCCC2)c(Cl)c1 169085146 KQMPOVMKVFHLRE-NSHDSACASA-N 233.698 3.699 30 20 BHED C=CCN[C@H](Cc1ccccc1)c1cccs1 184985343 LMINWTSNSORFKA-CQSZACIVSA-N 243.375 3.808 30 20 BHED CC#CCCCC(=O)N1CCC[C@@H]1[C@H](C)CCC 185889534 LKLJJLBARYZSPF-HUUCEWRRSA-N 249.398 3.607 30 20 BHED CCN(C[C@@H](C)C#N)[C@H]1CCCc2ccccc21 245766044 JKBUTPQLGNNSGS-BBRMVZONSA-N 242.366 3.546 30 20 BHED C=C[C@](C)(CC)C(=O)N1C[C@@H](C)CCC[C@H]1C 248686220 HAEDDDPYFOOCQI-GZBFAFLISA-N 237.387 3.626 30 20 BHED Cc1ccoc1C(=O)/C=C\c1cccnc1Cl 255397234 MRDGCVCFTCTORO-PLNGDYQASA-N 247.681 3.533 30 20 BHED N#CCCCCN1CCC[C@@H]1c1ccsc1 299523980 LYNVCEABMXAVLR-CYBMUJFWSA-N 234.368 3.579 30 20 BHED CCC(C)(C)CC(=O)Nc1cccc(C#N)c1C 331170789 CQBWOTCAXYJMQY-UHFFFAOYSA-N 244.338 3.632 30 20 BHED COc1cccc(NC2CCC(C)(C#N)CC2)c1 336215645 NCFYXRHXNFAHNT-UHFFFAOYSA-N 244.338 3.580 30 20 BHED C=CCC(C)(C)CN[C@H](C)Cc1cccs1 393479763 IBKGMXKFKWUROY-GFCCVEGCSA-N 237.412 3.871 30 20 BHED CCCCCCCC(=O)Nc1cccnc1F 401447326 JGLUQMZDOSDANJ-UHFFFAOYSA-N 238.306 3.520 30 20 BHED CCCc1nccn1CCC1(C#N)CCCCC1 412999724 LSXCROXVPSADJI-UHFFFAOYSA-N 245.370 3.700 30 20 BHED C=C[C@@H](C)N[C@@H](C)Cc1ccc(F)cc1Cl 421830998 CGNKIIIBOLXBGY-ZJUUUORDSA-N 241.737 3.574 30 20 BHED C=C[C@H](C)NC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 465105134 WMUPOHWSXNNPAV-RWMBFGLXSA-N 237.387 3.530 30 20 BHED Cc1cc(CN(C(C)C)C2CCC2)ccc1C#N 488253652 QAVKCPCSBHEQSO-UHFFFAOYSA-N 242.366 3.630 30 20 BHED CCN(CCC(C)(C)C#N)[C@H]1CCCC[C@H]1C 547747760 BSCCZHHWLKAMHM-KGLIPLIRSA-N 236.403 3.827 30 20 BHED C=C(C)CN[C@H](c1ccc(F)c(C)c1)C1CC1 553284052 LWWRBDQBVZVLGY-HNNXBMFYSA-N 233.330 3.751 30 20 BHED C[C@H](N[C@@H]1CC[C@H]1C)c1ccc(C#N)cc1Cl 560573395 YEARMRBVTWNZNF-ISTVAULSSA-N 248.757 3.661 30 20 BHED C=CCN(CCC#N)C[C@H]1CCCC(C)(C)C1 562375828 IIOIZUMMDOAKBR-AWEZNQCLSA-N 234.387 3.604 30 20 BHED C=CCN(Cc1cccs1)CC1(C)CC1 577813008 SCYLJILMXBNTEM-UHFFFAOYSA-N 221.369 3.536 30 20 BHED CC1(C)CCC[C@H](CN2CCC[C@H](CC#N)C2)C1 597177917 SEZUWJZVWAISIE-CABCVRRESA-N 248.414 3.828 30 20 BHED CC[C@@H](C)[C@H]1CCCCN1CCCCC#N 610001964 POFOYDHMIIQSLV-ZIAGYGMSSA-N 222.376 3.581 30 20 BHED CCC(CC)(CC)C(=O)Nc1ccc(C#N)cc1 610752629 ZPHOSYOVANAHFD-UHFFFAOYSA-N 244.338 3.713 30 20 BHED CC(C)(C)CS[C@@H](C#N)Cc1ccccc1 619648729 VRWRSXRVNQHIOQ-CYBMUJFWSA-N 233.380 3.901 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H]1CCC[C@@H]1CC 620855777 JGKLIKLNJPNPIW-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=CCCCCn1cc(C2CCC2)cn1 655689978 QDHXWRKRXWGTMS-UHFFFAOYSA-N 204.317 3.507 30 20 BHED C=CCCCSCc1ccc(C(=O)O)cc1 736102584 QUNPVRIFOQRYJO-UHFFFAOYSA-N 236.336 3.584 30 20 BHED N#CCCCCOC(=O)CCCC1CCCC1 744140701 MGNWOBGBFSWRHQ-UHFFFAOYSA-N 237.343 3.584 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 754633206 WMQMSRZTDMAKNI-SOUVJXGZSA-N 249.398 3.511 30 20 BHED C#CCCCCC(=O)O[C@@H](C)c1cccc(C)c1 773784776 IFRVFXLOQUZQLA-AWEZNQCLSA-N 244.334 3.793 30 20 BHED Clc1ccc(C=NOC2CCCC2)s1 774607350 FLFKPPAKYMLZFO-UHFFFAOYSA-N 229.732 3.695 30 20 BHED CCC(C=NNc1cc(Cl)ccn1)CC 777906483 XWLOZRSLTDYCLE-UHFFFAOYSA-N 225.723 3.569 30 20 BHED CCc1ccc(C=NN[C@@H](C)C(C)(C)C)s1 793117425 XELGZXCGELCTME-JTQLQIEISA-N 238.400 3.669 30 20 BHED CC(Cc1ccccc1C)=NOC/C=C\Cl 811672317 WIXPBKGWNVFTQR-UJIJHOJUSA-N 237.730 3.683 30 20 BHED CC[C@H](C=NOCCSC)c1ccccc1 814921951 LZQCOKMFEAMXHW-GFCCVEGCSA-N 237.368 3.546 30 20 BHED CCCCCCCOC(=O)c1occc1C 918493498 ZGGBEPVQJOUHTE-UHFFFAOYSA-N 224.300 3.715 30 20 BHED CCC[C@H](C)CC(=O)Nc1cc(C)cc(C#N)c1 1436716702 ZXRSDBMNBVCEHU-NSHDSACASA-N 244.338 3.632 30 20 BHED C=C(C)CCSCc1ccccc1C(=O)O 1602761161 VVUSODSLGZVDOT-UHFFFAOYSA-N 236.336 3.584 30 20 BHED Cc1cc(NCC2CCCCCC2)ncc1C#N 1639915643 CSMIYJZKHBBBTO-UHFFFAOYSA-N 243.354 3.644 30 20 BHED C[C@H]1CCN(CCC2(C#N)CCCCC2)C[C@H]1C 1653797030 WRJVIJCHSQWNAX-LSDHHAIUSA-N 248.414 3.828 30 20 BHED CC[C@@H](Nc1ccc(CC#N)cc1)C(C)C 37301884 URFXHAFVTBYNFI-CQSZACIVSA-N 216.328 3.599 30 20 BHED CCCCCCCCCNCc1ccccn1 59055609 UBJGGLRKQULRCM-UHFFFAOYSA-N 234.387 3.922 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cccc(C)c1 128037058 RCBZGEBZBUWUCK-STQMWFEESA-N 203.329 3.610 30 20 BHED CCC(C)(C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 175802236 VGVWAMNATRRIRJ-NSHDSACASA-N 245.322 3.599 30 20 BHED C[C@@H]1CN(CCCC(C)(C)C#N)[C@H]2CCCC[C@H]12 182493060 LZZOMSZWIHZJAV-KFWWJZLASA-N 248.414 3.827 30 20 BHED CCC[C@H]1CCCCN1Cc1cc(C#N)cs1 184232068 AGSMYBAUJKPJOY-ZDUSSCGKSA-N 248.395 3.774 30 20 BHED C#CCCCCN[C@H](CCC)c1ccsc1 187795056 RHZURSCTJPYEHS-CQSZACIVSA-N 235.396 3.982 30 20 BHED C=C[C@@](C)(CC)C(=O)N(C)c1ccc(C)cc1 187922874 XMCYQCWGOYTLNH-HNNXBMFYSA-N 231.339 3.560 30 20 BHED CC(C)(CCC#N)CN1CCC[C@H]2CCC[C@H]21 245555639 IKWKXUALECGGAK-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED C[C@H]1C[C@@H](C)C[C@H](NCc2cc(C#N)cs2)C1 246133533 FKBHHGSJHRNHCD-PJXYFTJBSA-N 248.395 3.534 30 20 BHED C[C@H](c1ccc(F)cc1)N1CCC(CC#N)CC1 259812346 VPWWURPCWQDIEU-GFCCVEGCSA-N 246.329 3.512 30 20 BHED C[C@H](ON=C1CCC1)c1ncc(C(C)(C)C)o1 268082453 PRLRXCZKYBUZLZ-VIFPVBQESA-N 236.315 3.590 30 20 BHED C=CCCCC(=O)Nc1ccc(C)cc1NCC 276598908 FVLHUPXDQRNRGS-UHFFFAOYSA-N 246.354 3.722 30 20 BHED C=CCCC(=O)N1CCCC(C)(C)[C@@H]1CC=C 278172834 CPWXRWOYAZKWPP-ZDUSSCGKSA-N 235.371 3.546 30 20 BHED C=CCC[C@@H](CC)N[C@@H]1CCCc2occc21 359914859 BWJYFMXRPNZYLG-TZMCWYRMSA-N 233.355 3.991 30 20 BHED CC(C)CCOCCSc1ccccc1C#N 439699223 CLPQTRPCVPBNDE-UHFFFAOYSA-N 249.379 3.713 30 20 BHED C=CCC1(C(=O)N(C)CC(C)C)CCCCC1 448674582 YSTPEQFZDQSCKD-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C[C@H]1CCC[C@@H](CNC2CCC(C)(C#N)CC2)C1 449091695 KDYSTJQNDITDRX-QRNKSROTSA-N 248.414 3.875 30 20 BHED C=CCC1(CNC(=O)c2ccsc2)CCCC1 456481381 BHXYPPYRMQZHJB-UHFFFAOYSA-N 249.379 3.614 30 20 BHED N#C[C@H](SCC1CC1)C1CCCCC1 460874496 PCBLHFBDHZBWLK-LBPRGKRZSA-N 209.358 3.602 30 20 BHED C=C(C)CCc1noc(C[C@@H](C)CCC)n1 508605923 TYIVABWOIQSFIF-NSHDSACASA-N 222.332 3.557 30 20 BHED C=CCCC(=O)N[C@H](c1ccccc1)C(C)(C)C 522474233 LOPSOGMHRRREAK-OAHLLOKOSA-N 245.366 3.856 30 20 BHED C=C(C)CN1CCCC[C@H]1Cc1ccccc1 524042279 AWOLSUSIGSRUBD-INIZCTEOSA-N 229.367 3.660 30 20 BHED CCC(CC)Sc1nc(C)cc(C)c1C#N 541785760 HBUCQSRJPBTRJQ-UHFFFAOYSA-N 234.368 3.851 30 20 BHED C=CCCCCNC1(c2ccc(OC)cc2)CC1 560239275 GKLRNDKIXAFFRC-UHFFFAOYSA-N 245.366 3.630 30 20 BHED C=CCCCC[C@H](C)NCc1ncccc1C 577410148 DQFGZXAIQLLNDZ-AWEZNQCLSA-N 232.371 3.615 30 20 BHED CCc1ccc(NC[C@H](C)CCC#N)cc1 602485510 UKRGPVGPXNXKRI-GFCCVEGCSA-N 216.328 3.601 30 20 BHED C=CCCCN1CCC[C@@H]1C1CCCC1 605150034 GIAQFNMPUWOHCF-CQSZACIVSA-N 207.361 3.607 30 20 BHED C=CCCN1CCC(CCc2ccccc2)CC1 606896393 SERRNJQJKYRSEM-UHFFFAOYSA-N 243.394 3.907 30 20 BHED C=CCCNc1ccc(Oc2ccccn2)cc1 607149975 MWKABQAAXMNUNL-UHFFFAOYSA-N 240.306 3.862 30 20 BHED C=CCCC(C)(C)NC(=O)c1ccsc1C 620864955 VEQMOMNSKLPTDW-UHFFFAOYSA-N 237.368 3.531 30 20 BHED N#Cc1cccc(N[C@@H]2CCC23CCCC3)c1 694467670 CFFLLUKOGRYVPH-CQSZACIVSA-N 226.323 3.693 30 20 BHED CCCCCCCN(C)Cc1ccoc1 740875335 TZPJYYAQFLDYAD-UHFFFAOYSA-N 209.333 3.682 30 20 BHED C=C(C)CNc1ccc(C(=O)C(C)(C)C)cc1 749279095 OCZSNYQROPRWTB-UHFFFAOYSA-N 231.339 3.903 30 20 BHED C=CCCC(CC)=NNc1cccc(C#N)c1 750932783 QDGPKSBDRZUUAB-UHFFFAOYSA-N 227.311 3.702 30 20 BHED C#CC[C@@H](NCC/C=C/CC)c1ccccc1 767340104 ZJLLQJBVTWMVNS-SQRWCISFSA-N 227.351 3.697 30 20 BHED CCCCCCCc1nc(-c2ccco2)no1 771192009 USMUMKSKTXYXBJ-UHFFFAOYSA-N 234.299 3.843 30 20 BHED C[C@H]1CCCCC1=NOC1CCCCC1 777458940 LTKXVYFODKOARQ-NSHDSACASA-N 209.333 3.902 30 20 BHED C#CCCCCCC(=O)N1CCCC(C)(C)CC1 779921223 RBHTYMYYYIHKBN-UHFFFAOYSA-N 249.398 3.609 30 20 BHED C/C=C(\CC)C(=O)O[C@H](C)c1cccc(C#N)c1 789368399 ZBWVXZPEDLZDHN-OAPSQGNVSA-N 243.306 3.519 30 20 BHED C[C@H]1CC(C)(C)CC1=NN[C@@H](C)C(C)(C)C 793112079 OSEIOPLDPZGBAY-QWRGUYRKSA-N 224.392 3.823 30 20 BHED Cc1cc(C(=O)/C=C\c2ccccc2F)oc1C 799895765 DIDWNLFKBMISQJ-FPLPWBNLSA-N 244.265 3.932 30 20 BHED C=CCCCCCCCNC[C@@H]1CCCOC1 810160692 PSHYWEBSSCNJEP-HNNXBMFYSA-N 239.403 3.529 30 20 BHED C=CCC1(NC(=O)/C=C/C=C\C)CCCCC1 836960781 BMOOHHIKIOGZPJ-ZMSZASLQSA-N 233.355 3.514 30 20 BHED C=C(Cl)CNC1(c2ccc(F)cc2)CCC1 839513143 OCVOKKOCTJFJAJ-UHFFFAOYSA-N 239.721 3.547 30 20 BHED C#CC1CCC(=NNc2c(C)cccc2F)CC1 853334939 VZEUVGZRFGGLRQ-UHFFFAOYSA-N 244.313 3.725 30 20 BHED C#CCCCCCCNC[C@@H]1CCCC1(F)F 877565649 LVIAQMSXDFHVDI-ZDUSSCGKSA-N 243.341 3.595 30 20 BHED CC[C@@H](NC1CCCC1)c1cccc(C#N)c1 902720569 LSJGMFYXWYKVMI-OAHLLOKOSA-N 228.339 3.542 30 20 BHED CC(C)CC[C@@H](NCC(C)(C)C#N)c1ccoc1 903101722 LFMYNLQQBAMEEW-CQSZACIVSA-N 248.370 3.896 30 20 BHED C=CCOC(=O)CCc1ccc2ccccc2c1 917977775 RRKDNQZWVIFTPB-UHFFFAOYSA-N 240.302 3.502 30 20 BHED C[C@@H](CC(C)(C)C#N)Nc1cccc2cc[nH]c12 926207929 XTTQDZHMBYYFFR-NSHDSACASA-N 241.338 3.908 30 20 BHED Cc1ccc(CSc2cccc(C#N)c2)cn1 1188864003 RYQLMZQMBALNRP-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=CCC[C@H]1CCCN1C(=O)c1cccc(C)c1 1336760245 PQRBILHHQMWFFZ-HNNXBMFYSA-N 243.350 3.566 30 20 BHED C[C@@H](CCC#N)CN1CC[C@H](C2CCCCC2)C1 1462415869 XGYWWMLLSLEEQJ-HOCLYGCPSA-N 248.414 3.828 30 20 BHED CC[C@H]1CCCC[C@H]1CNc1ccc(C#N)cn1 1651103715 AOKLVQMIKLCHFF-KBPBESRZSA-N 243.354 3.582 30 20 BHED N#Cc1cncc(-c2cccc(C(F)(F)F)c2)c1 91366201 ZQGIIMBAHXUTRX-UHFFFAOYSA-N 248.207 3.639 30 20 BHED CC(C)c1cc(C#N)cc(C(C)C)c1O 95930228 FVOUUJRIRBYIOB-UHFFFAOYSA-N 203.285 3.511 30 20 BHED Cc1cc(C)cc(C(=O)/C=C/c2cncs2)c1 130071131 RNGQGJIUYQRKNY-ONEGZZNKSA-N 243.331 3.656 30 20 BHED C=C(C)CN[C@@H](C)c1oc2ccccc2c1C 131681849 BNUHZEMOWICSJY-LBPRGKRZSA-N 229.323 3.968 30 20 BHED C=CCC(CC=C)C(=O)Nc1cccc(F)c1C 151115969 HTSNMPWUEYSBJK-UHFFFAOYSA-N 247.313 3.841 30 20 BHED CC#CCCNC1CC(c2cccc(Cl)c2)C1 158341961 HSXUKVRTPROWGP-UHFFFAOYSA-N 247.769 3.589 30 20 BHED C=CC[C@@H](C)N[C@@H](c1ccccc1)C(C)C 162083340 RKDHOUKCRNJPJX-UKRRQHHQSA-N 217.356 3.938 30 20 BHED C=CCN(Cc1ccccc1)C(=O)C[C@@H](C)CC 188514231 ZAKNYPAJOUIYDM-AWEZNQCLSA-N 245.366 3.637 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc(F)cc1C 189826435 FBAFVXPZNQJTJT-AWEZNQCLSA-N 235.302 3.675 30 20 BHED C#CCCCCN[C@@H]1CC[C@@H](C)C[C@@H]1CC 222293123 DYBOBFUDELNQCZ-QLFBSQMISA-N 221.388 3.594 30 20 BHED CCN(CCCCC(C)(C)C#N)CC1CCC1 230316620 JBKSDXXLLXCUHY-UHFFFAOYSA-N 236.403 3.828 30 20 BHED CC[C@H](C)C[C@@H](C)Nc1c(C#N)cccc1C#N 302869138 AUHGGCPPIUHQPV-NWDGAFQWSA-N 241.338 3.667 30 20 BHED C=CCCC(=O)N[C@@H](CCC(C)C)C(C)(C)C 303656349 VLXGIMJMLXTXKC-ZDUSSCGKSA-N 239.403 3.920 30 20 BHED C=CCC[C@H](CCC)N[C@H]1CC[C@H](C)C1 309171538 LMPUMXNBIYMLBL-IHRRRGAJSA-N 209.377 3.900 30 20 BHED CCCCCC[C@H](C)N[C@H]1CC[C@H](C#N)C1 310012435 JCOTUCOIJZZIRU-IHRRRGAJSA-N 222.376 3.627 30 20 BHED C=C(CC)CN[C@@H](C)c1sccc1C 313498765 GPURNJVHIBCQMP-NSHDSACASA-N 209.358 3.673 30 20 BHED N#CC1(CSc2cccs2)CCC1 336274837 POIFLOAFQBCVQP-UHFFFAOYSA-N 209.339 3.534 30 20 BHED CC[C@H](NCc1ccc(C#N)s1)C1CCCC1 382785724 KQWUBCFMZHPQCY-AWEZNQCLSA-N 248.395 3.678 30 20 BHED CC(C)c1ccc(OCC2(C#N)CCC2)cc1 418822334 MSPMXZFMJDRGJX-UHFFFAOYSA-N 229.323 3.883 30 20 BHED C=CCC(C)(C)c1nc(-c2cscc2C)no1 426593270 MBBXYFQYRGSSDT-UHFFFAOYSA-N 248.351 3.960 30 20 BHED C=CCN(C(=O)[C@H]1C[C@]1(C)CC)c1ccccc1 466411945 IUWBZGQOEQGJQG-ZBFHGGJFSA-N 243.350 3.642 30 20 BHED C=C(C)CCc1noc(CCCC(C)(C)C)n1 508601773 YKOATCOFDJWECN-UHFFFAOYSA-N 236.359 3.947 30 20 BHED C=C(C)CCN1CCC[C@@H]1c1cccs1 509839573 OEFRMJUUIMUUTO-GFCCVEGCSA-N 221.369 3.851 30 20 BHED C=CCN(CC)C[C@H](CC)c1ccccc1 511974900 WWESNXPKKVLTNJ-AWEZNQCLSA-N 217.356 3.688 30 20 BHED C=C1CCN(C/C(C)=C\c2ccccc2)CC1 513444325 TXEIFFFLNKGAKY-QINSGFPZSA-N 227.351 3.742 30 20 BHED C=CCN[C@H](c1ccc(F)cc1)C1CCCC1 539310582 ZCRZWKMGEPXJBI-HNNXBMFYSA-N 233.330 3.833 30 20 BHED CC(C)=CCSc1nccc(C#N)c1Cl 553227516 MSABLVCVEVRUEY-UHFFFAOYSA-N 238.743 3.665 30 20 BHED CCOc1ccc(C#N)cc1N[C@H]1CC[C@H]1CC 564299470 MRTINKIOXHXJBB-OLZOCXBDSA-N 244.338 3.557 30 20 BHED CC[C@H](C)[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 570439713 XNXNYYCTLWSILA-OZVIIMIRSA-N 242.366 3.570 30 20 BHED C=CCCCCSC1CC(OCC)C1 575782696 JHDKDSHWFQLJBS-UHFFFAOYSA-N 214.374 3.643 30 20 BHED C=CCCC1(C(=O)NC[C@H]2CCCC2(C)C)CC1 583491925 HQVUDXIVKJUUIA-CYBMUJFWSA-N 249.398 3.675 30 20 BHED CC(C)CCCN[C@H]1CCc2ccc(C#N)cc21 584809857 LZRBGWIDPOLPCL-INIZCTEOSA-N 242.366 3.571 30 20 BHED COCc1ccc(S[C@H]2CC[C@H](C#N)C2)cc1 590728718 QNESFJJJGXZMTN-JSGCOSHPSA-N 247.363 3.617 30 20 BHED Cc1cc(C)c(NCC2(CC#N)CC2)c(C)c1 594700191 BUWYJNYXUDWRCH-UHFFFAOYSA-N 228.339 3.718 30 20 BHED CC(C)=CCSCc1ccc(F)cc1C#N 618460166 AXSXMOJVXOZOIY-UHFFFAOYSA-N 235.327 3.897 30 20 BHED C=CCC[C@H](C)NCc1ccc(C#N)c(Cl)c1 619754506 BPYROTZRKXAEHO-NSHDSACASA-N 248.757 3.656 30 20 BHED C=CCN(C(=O)CC(C)(C)C1CC1)C(C)(C)C 622945802 TWUOAMJGNMLIHH-UHFFFAOYSA-N 237.387 3.626 30 20 BHED CC#CCCCC(=O)N(C1CCCCC1)C1CC1 680996573 DLENECPMQVGJPE-UHFFFAOYSA-N 247.382 3.504 30 20 BHED C[C@H](CC(C)(C)C#N)NCC(C)(C)C1CCC1 695871144 KLAMZHLMLBELPA-GFCCVEGCSA-N 236.403 3.731 30 20 BHED Cc1ccc(NN=Cc2sc(C)nc2C)cc1 736429103 PLXBUTOIIZDUAT-UHFFFAOYSA-N 245.351 3.514 30 20 BHED CCC[C@@H](C)C(=O)O[C@@H](C)c1cccc(C#N)c1 744099809 CCVUMYIHRPKUJJ-NEPJUHHUSA-N 245.322 3.599 30 20 BHED C=C(C)CCOC(=O)c1cc2cccc(C)c2o1 744305351 ZJIFWOMTEBZJEK-UHFFFAOYSA-N 244.290 3.864 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H](C)COc1ccccc1 765435019 AEOXVQWMKULJAT-ZNMIVQPWSA-N 247.382 3.644 30 20 BHED CC(C)[C@H]1CCCC1=NN[C@H](C)C(C)(C)C 793112553 UKJVGKWFCLCZFT-VXGBXAGGSA-N 224.392 3.823 30 20 BHED C=CC[C@@H](C)N[C@H](CC)c1ccc(C)cc1O 794811388 QDKWQNKDBIWTTA-TZMCWYRMSA-N 233.355 3.706 30 20 BHED Clc1ccc(C=NNCC2CCCC2)s1 808006420 SYFMXZYOPWHOOL-UHFFFAOYSA-N 242.775 3.515 30 20 BHED C=CCC[C@@H](CC)Nc1ccc2c(c1)C(=O)OC2 809788425 KEVFQWDOOYCTDU-GFCCVEGCSA-N 245.322 3.514 30 20 BHED C=C(C)[C@H](C)OC(=O)/C=C(/C)c1cccs1 857018614 IKOSRXZXHYQCJA-IEHMKBBKSA-N 236.336 3.659 30 20 BHED C=C1CCC(C(=O)N(C)[C@H](C)c2ccco2)CC1 887973072 OZYMCEXLCGOCJT-GFCCVEGCSA-N 247.338 3.545 30 20 BHED C=CCN(C(=O)C[C@@H]1CCCC[C@H]1C)C(C)C 920476864 ZICNVDMUPFCYNB-KGLIPLIRSA-N 237.387 3.626 30 20 BHED C=C(C)CCC(=O)Nc1cccc(Cl)c1C 1338437385 ZCLHGCUWZMJWQL-UHFFFAOYSA-N 237.730 3.943 30 20 BHED C[C@H](CCNc1ccc(C#N)cn1)CC(C)(C)C 1458318523 IJLZYOSNGIQHQI-GFCCVEGCSA-N 245.370 3.828 30 20 BHED C=C(Cl)CN1CCC[C@H](C)[C@@H]1CCC 1653646278 BGWHZYJFDVRTEW-JQWIXIFHSA-N 215.768 3.640 30 20 BHED CCCCCCC[C@H](C)NCc1nccs1 104242686 IGZXHZKGDNFATK-LBPRGKRZSA-N 240.416 3.982 30 20 BHED C=C(Cl)CN[C@H](C)c1cc(C)c(F)c(C)c1 129772017 HIYPBMOIXJBENG-LLVKDONJSA-N 241.737 3.846 30 20 BHED CC[C@H]1CCCC[C@H]1NCc1ccc(C#N)s1 135676377 JDMOIBVHBYTFLH-SMDDNHRTSA-N 248.395 3.678 30 20 BHED CC[C@](C)(C#N)C(=O)Nc1ccc(C(C)C)cc1 136169140 LYXCHWFYOMDTHZ-OAHLLOKOSA-N 244.338 3.688 30 20 BHED C=CC[C@H](C)N[C@H](c1ccccc1)C1CC1 162083744 ITPPURMVRJOPHS-SWLSCSKDSA-N 215.340 3.692 30 20 BHED CC[C@@H]1CCCCN1Cc1ccc(C#N)cc1C 165437632 NAVIXPCZROBEFR-MRXNPFEDSA-N 242.366 3.631 30 20 BHED C#CCCCNC(c1ccccc1)c1ccccc1 168059641 LMUYJDVWGMKKIO-UHFFFAOYSA-N 249.357 3.779 30 20 BHED C=C(C)CN[C@H](CC)c1ccccc1OCC 179754831 WOMCAKVHKVEEAO-CQSZACIVSA-N 233.355 3.702 30 20 BHED C=CCSCCN[C@H](c1ccccc1)C1CC1 180162113 JJVNNMFCXVGEEX-OAHLLOKOSA-N 247.407 3.647 30 20 BHED C#CCC(C)(C)C(=O)Nc1ccccc1CCC 185304564 RSGXQYFJJITTDD-UHFFFAOYSA-N 243.350 3.627 30 20 BHED CC1(C)CCCC[C@@H]1N[C@@H]1CCC[C@H](C#N)C1 185860599 MPQWTYHBDVWKQT-MJBXVCDLSA-N 234.387 3.627 30 20 BHED C#CCCCCN[C@@H](CC)c1cccc(F)c1 188232242 PIHUXIDYMOUZQO-HNNXBMFYSA-N 233.330 3.670 30 20 BHED CC(C)S[C@H](C)c1cccc(C#N)c1 190793801 VJZCVBVZAXVLPR-SNVBAGLBSA-N 205.326 3.761 30 20 BHED C=C(CC)CN(C)[C@H](C)c1sc(C)nc1C 358507913 LEQGWOGQQBIWKG-LLVKDONJSA-N 238.400 3.719 30 20 BHED Cc1cccc([C@@H]2CCCCN2CCC#N)c1C 362384898 NPQOQLXNXCLGMZ-INIZCTEOSA-N 242.366 3.744 30 20 BHED CCCCCCCS[C@@H](C)C(C)=O 379397457 NICNLYYCBCSBRC-NSHDSACASA-N 202.363 3.668 30 20 BHED CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1ccc(C#N)cc1 385576945 AUXKHRKXFKUAGM-APHBMKBZSA-N 242.366 3.643 30 20 BHED C=CCCCCC[C@@H](C)N[C@@H]1CCSC1 389883293 PRTJTBONNHCZGB-CHWSQXEVSA-N 227.417 3.607 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1cccc(F)c1F 393798575 LBQCBYJTPPZYRK-QWRGUYRKSA-N 239.309 3.970 30 20 BHED Cc1c2c(nc3ccc(C#N)cc13)CCC1(CC1)C2 416382993 BJNCMBCPCAYIQZ-UHFFFAOYSA-N 248.329 3.684 30 20 BHED C=CCOCCSC/C=C\c1ccccc1 419342301 CDCIUQNXKGJWDF-TWGQIWQCSA-N 234.364 3.636 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H](C)CCC=C(C)C 424867440 PQOOROBDTKVTHF-ZDUSSCGKSA-N 237.387 3.840 30 20 BHED Cc1ccc(C)c([C@@H](C)NCC2(CC#N)CC2)c1 429797811 DLCCHSNYAJIJGK-CQSZACIVSA-N 242.366 3.648 30 20 BHED C=CCC[C@H](CC)N[C@H]1CCC[C@@H]2C[C@H]12 459777463 VZQGFTCWDCFPNF-RFGFWPKPSA-N 207.361 3.509 30 20 BHED C=C(C)CCN1CC[C@H](c2cccc(C)c2)C1 508964957 GGMGMRBMBARVOF-INIZCTEOSA-N 229.367 3.751 30 20 BHED CC[C@H](N[C@@H](C#N)C1CCCCC1)C(C)(C)C 523740667 YRJKLJQUXQMJDZ-KBPBESRZSA-N 236.403 3.873 30 20 BHED C=CCCN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 525783846 FWRDROAFVBYSOG-SWLSCSKDSA-N 233.330 3.785 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H]1c2ccccc2O[C@H]1C 570486573 YCCOELXYUOMAKC-WFGGJUAMSA-N 245.366 3.699 30 20 BHED Cc1ccc(NC(=O)CCCCCC#N)c(F)c1 588147422 FPRVPBUEGOTZDN-UHFFFAOYSA-N 248.301 3.547 30 20 BHED CC(C)(C#N)CCCCN1CC[C@@H](C2CCC2)C1 591063248 MDZZVASMGHNQBR-OAHLLOKOSA-N 248.414 3.828 30 20 BHED N#CC[C@H]1CCCN(CCCC2CCCCC2)C1 597177619 QMBXQUXKDLOROW-MRXNPFEDSA-N 248.414 3.973 30 20 BHED CSc1ccc(NC[C@@H](C)CCC#N)cc1 602484181 OCNLMPNKOZWEHO-NSHDSACASA-N 234.368 3.760 30 20 BHED CSc1ccc(N(C)C[C@H](C)CCC#N)cc1 602613716 PFBYMAAKHADWGW-GFCCVEGCSA-N 248.395 3.785 30 20 BHED COc1cc(C)ccc1N[C@H](C)CC(C)(C)C#N 695838774 ZMYVFOYSPCDJRN-GFCCVEGCSA-N 246.354 3.744 30 20 BHED CC(=NNc1cc(F)cc(F)c1)C1CCCC1 733076459 QCDBFMBIKOCQNW-UHFFFAOYSA-N 238.281 3.943 30 20 BHED CCCCCCCCC(=O)N1C[C@@H](C)[C@H](C)C1 751967145 AYTQLPBSIXDWKM-ZIAGYGMSSA-N 239.403 3.851 30 20 BHED CC#CCCN1CCC[C@@H]1c1ccc(F)c(F)c1 764961164 RHRSEZRPPFPWCT-OAHLLOKOSA-N 249.304 3.515 30 20 BHED C#CCCCCNC[C@@H](C)CCc1ccccc1 776249958 ZZKMGDYJZKEUCZ-INIZCTEOSA-N 243.394 3.648 30 20 BHED CC(=NOCCC(F)(F)F)c1ccccc1F 777459967 NFIAENTWNCZAEH-UHFFFAOYSA-N 249.207 3.519 30 20 BHED C=CCCN(C)C(=O)[C@@H](C)CCCCCC 786224661 ZHBDLNHDUPRQBR-ZDUSSCGKSA-N 225.376 3.627 30 20 BHED Cc1ccc(NN=C[C@]2(C)CCCS2)cc1 792871108 DUAGFUSXOYSHKM-ZDUSSCGKSA-N 234.368 3.678 30 20 BHED C=C(Cl)CN1CC(C)(C)[C@H]1c1cccs1 805839348 CXCZEHBPECZRFS-LLVKDONJSA-N 241.787 3.884 30 20 BHED C=CCCCCCCCCN[C@H]1CCO[C@H]1C 806175481 BBCYKLYHDAGFMS-GJZGRUSLSA-N 239.403 3.670 30 20 BHED CCCC[C@@H](C)C(C)=NO[C@H]1CCCCO1 807982337 XLDLDNBKQIBYFW-YPMHNXCESA-N 227.348 3.732 30 20 BHED FC(F)(F)c1ccc(C=NOCC2CC2)s1 814243871 QYEUIWZHGWXFQD-UHFFFAOYSA-N 249.257 3.527 30 20 BHED Clc1cccc(NN=C2CC[C@@H]2C2CCC2)n1 814939580 WEUMKFKOZKUNKD-SNVBAGLBSA-N 249.745 3.713 30 20 BHED CC(CC1CCCC1)=NN[C@@H](C)c1ccncc1 819816889 RLNBSDBTNYJPCZ-ZDUSSCGKSA-N 245.370 3.688 30 20 BHED N#CC1(OC(=O)CCC2CCCCCC2)CCC1 847657789 VYUWQWALKBOXQG-UHFFFAOYSA-N 249.354 3.726 30 20 BHED CCc1ccccc1NN=C/C=C\c1ccco1 920373658 HDRYSZUUHBTQEO-CASMWYGASA-N 240.306 3.953 30 20 BHED C=C(C)CCC(=O)Nc1ccccc1OC(C)C 1357754991 ZSGDXJQXZYYGFC-UHFFFAOYSA-N 247.338 3.769 30 20 BHED C=C(CC)C(=O)Nc1ccccc1OC(C)(C)C 1527716261 TVZOXKPQPDZERS-UHFFFAOYSA-N 247.338 3.769 30 20 BHED Cc1cccc(C)c1OCc1ccc(C#N)cc1 11834240 BDSDCYYLZVHLSD-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C=C(Cl)CN[C@@H](C)c1ccc(Cl)s1 42587802 BQGXCUBOYYNTKW-ZETCQYMHSA-N 236.167 3.805 30 20 BHED Cc1cc(CNc2cccc(C#N)c2)ccc1F 50544618 NUTSMDAEECGEJG-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C[C@H]1CCCC[C@H]1N(C)Cc1ccccc1C#N 55386571 CAEUMDWDJWYMQV-XJKSGUPXSA-N 242.366 3.569 30 20 BHED CCCCCSCc1cccc(C#N)c1 58238958 NOSBYNDJFVEINV-UHFFFAOYSA-N 219.353 3.982 30 20 BHED N#CCCCSc1ccc2ccccc2n1 61576570 DAORQGFCLZYXJA-UHFFFAOYSA-N 228.320 3.631 30 20 BHED C=CCCCN[C@@H](C)c1cccc(Cl)c1 70591798 PXMAZNJTSGKVGN-NSHDSACASA-N 223.747 3.957 30 20 BHED C[C@@H]1c2ccsc2CCN1CCC(C)(C)C#N 87595452 IWEPXKGTRUHWHX-LLVKDONJSA-N 248.395 3.607 30 20 BHED C[C@H]1CCC[C@H](N(C)c2ccc(F)cc2C#N)C1 111036229 HWYSRLMNZIEMSM-FZMZJTMJSA-N 246.329 3.712 30 20 BHED CC(C)C[C@@H]1CCCCN1CCCCC#N 123474356 DKJDBSBROZXMPE-AWEZNQCLSA-N 222.376 3.581 30 20 BHED N#Cc1ccsc1NC(=O)CC1CCCCC1 125691501 LVDSIKIBHAOSII-UHFFFAOYSA-N 248.351 3.529 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)c1cc(C)oc1C 126687635 HLAIDULKBMYFLZ-PWSUYJOCSA-N 221.344 3.902 30 20 BHED C[C@@H](C#N)CNCC1CCC(C(C)(C)C)CC1 129887553 JJMZSQSHSMMELI-HSBZDZAISA-N 236.403 3.588 30 20 BHED C[C@@H]1CC[C@H](NCCCCC#N)c2ccccc21 178647231 AHHADWXSXMVVQT-CJNGLKHVSA-N 242.366 3.908 30 20 BHED C[C@H]1CCC[C@H](CSCCCC#N)C1 190996383 XEVWHMPOQZDZSK-RYUDHWBXSA-N 211.374 3.850 30 20 BHED C[C@@H]1CC[C@@H](C)[C@@H](Nc2cccc(C#N)c2)C1 221643543 MXYRYTQYLCYMDV-JMSVASOKSA-N 228.339 3.795 30 20 BHED C=CCC[C@H](CCC)N[C@@H]1CCCc2cn[nH]c21 271493877 KVXLVPNRPITNDN-UONOGXRCSA-N 247.386 3.512 30 20 BHED CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 274199162 KFZKEBXBLUVDMH-BMFZPTHFSA-N 242.366 3.810 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cccc(F)c1F 276274194 ZWZRAYZNGQOSCY-ZDUSSCGKSA-N 239.265 3.506 30 20 BHED Cc1ccc(S[C@H]2CC[C@@H](C#N)C2)cc1 278657990 WTAMVQJORCRVMJ-YPMHNXCESA-N 217.337 3.779 30 20 BHED C=CCCCCN[C@@H](c1cccnc1)C1CCC1 280975051 VQRQUUMQZDNURU-MRXNPFEDSA-N 244.382 3.869 30 20 BHED C=CCCC(=O)N(C)c1cc(Cl)ccc1C 294381877 WSSKKMTYVMZBMI-UHFFFAOYSA-N 237.730 3.577 30 20 BHED Cc1cccc(Nc2nc(Cl)c(C#N)s2)c1 309351504 BUQARTYOVBGFCO-UHFFFAOYSA-N 249.726 3.720 30 20 BHED CCCC[C@@H](C)N(C)Cc1ccccc1C#N 310425068 RJKSDHDGIWWFOR-CYBMUJFWSA-N 230.355 3.569 30 20 BHED CC[C@H]1CCCC[C@H]1C(O)=Nc1ccnnc1C 330137515 UXTSNTQZHDHSJJ-NWDGAFQWSA-N 247.342 3.589 30 20 BHED C=CCN(Cc1ccccc1)Cc1ccc(C)o1 351583223 NTHGCCPCEXQSLF-UHFFFAOYSA-N 241.334 3.776 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CCC23CCCC3)CC1 357150039 RKHVTBFSJMLBIC-CYBMUJFWSA-N 247.382 3.572 30 20 BHED C=C(C)CN[C@H](C)c1cccc(C2CC2)c1 382389941 LTVIFAXAUTZZDH-GFCCVEGCSA-N 215.340 3.791 30 20 BHED C=C(C)CCN[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21 386787766 NSMJLDPWUMPTDZ-CHWSQXEVSA-N 245.366 3.805 30 20 BHED C=C[C@H]1CCCCN1CCC1(C#N)CCCCC1 411655351 JXKGEKREBPNVLF-HNNXBMFYSA-N 246.398 3.891 30 20 BHED Cc1ccc([C@H](C)NCC(C)(C)CC#N)c(C)c1 414175783 ZRHYSMCNJJOAEY-AWEZNQCLSA-N 244.382 3.894 30 20 BHED CCC[C@H]1[C@H](C)CCCN1CC1(C#N)CCC1 450559964 HAIWYDVGZWVQFE-KGLIPLIRSA-N 234.387 3.581 30 20 BHED C=C(C)CSCc1ccc(F)cc1F 467300595 SYNGQVXAMIBZNE-UHFFFAOYSA-N 214.280 3.774 30 20 BHED C=CCCN(C)C[C@@H](CC)c1ccccc1 467373494 MVQJZMMSGHAZPY-CQSZACIVSA-N 217.356 3.688 30 20 BHED CC(C)(C)[C@@H]1CCCC[C@@H]1N[C@H]1CC[C@H](C#N)C1 471620055 RDXBBWWVFUPHSF-XQLPTFJDSA-N 248.414 3.873 30 20 BHED CCC[C@H]1CCCN(Cc2ccccc2C#N)C1 532326660 CWSCLBORCDOKGS-AWEZNQCLSA-N 242.366 3.570 30 20 BHED Cc1ccc(Sc2snc(C)c2C#N)cc1 576613652 MAHVFGBMJXEVIH-UHFFFAOYSA-N 246.360 3.783 30 20 BHED C=CCOc1ccc(C(F)(F)F)cc1C 581636464 ZRVRAZWINLFVSU-UHFFFAOYSA-N 216.202 3.579 30 20 BHED CCN(Cc1cccc(C(C)C)c1)[C@@H](C)C#N 595820477 VZDGSGSKDHWVOY-ZDUSSCGKSA-N 230.355 3.544 30 20 BHED N#Cc1ccc(S[C@H](C#N)C2CC2)c(Cl)c1 601079288 ZCBGXRKGMPQBNL-GFCCVEGCSA-N 248.738 3.606 30 20 BHED C=CC(C)(C)CNC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 615831861 SUVIYBLVOYRZMO-WDNDVIMCSA-N 249.398 3.531 30 20 BHED CCCCCCCCN1CCC(COC)CC1 740877491 RLBAXKKTEYNJHP-UHFFFAOYSA-N 241.419 3.705 30 20 BHED CCCCCCCC(=O)N(C)[C@H](C)C1(C)CC1 752498268 RCGQJTRQUKOZBC-CYBMUJFWSA-N 239.403 3.994 30 20 BHED CCCCCCCCNC(=O)c1ccsc1 754840525 CZRKTIUSJCOHQD-UHFFFAOYSA-N 239.384 3.838 30 20 BHED C=CCN(C[C@@H]1C[C@H]1c1ccccc1)C(C)C 768547065 HOIRMPPQBKWXRR-HOTGVXAUSA-N 229.367 3.687 30 20 BHED CC(CCc1ccco1)=NOC1CCCC1 774601565 DOYMRWBKKGXFCY-UHFFFAOYSA-N 221.300 3.547 30 20 BHED C#CCN[C@H](CC(C)(C)C)c1ccc(F)cc1 775132668 AGYLILMMHKXIKC-CQSZACIVSA-N 233.330 3.526 30 20 BHED C[C@H]1CCCC(=NOC2CCCCC2)C1 777458243 ARVMMQNCVSVYFW-NSHDSACASA-N 209.333 3.902 30 20 BHED CCC[C@@H](C)C(CC)=NNc1cccc(OC)n1 779816519 GOVOIVDYKPELBS-LLVKDONJSA-N 249.358 3.704 30 20 BHED C=CCCCCCOC(=O)CCC(C)(F)F 783006595 MFVNKFAENONWQE-UHFFFAOYSA-N 234.286 3.711 30 20 BHED C#C[C@H](C)N[C@@H]1CCC[C@H]1c1ccccc1Cl 809682778 BUQVHWFAWKYGFQ-CORIIIEPSA-N 247.769 3.587 30 20 BHED CC[C@H](C)NN=C1CCC2(CCCC2)CC1 811648753 QHNGOQBJUWZPAG-LBPRGKRZSA-N 222.376 3.865 30 20 BHED CC(=NOC1CCC1)[C@H](C)c1ccccc1 812235458 VQJIDLGWRCVZLH-NSHDSACASA-N 217.312 3.735 30 20 BHED CC(C)OCCON=C[C@@H]1CCCC(C)(C)C1 812238105 MYNBSFMOFZTDRX-CYBMUJFWSA-N 241.375 3.630 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@](C)(F)CCCC 831733345 SDACKELFWYLBHB-GXTWGEPZSA-N 243.366 3.766 30 20 BHED C=CC[C@H]1CCCCC1=NOCC1CC1 853349315 VEZKUAGUZHHQQQ-LBPRGKRZSA-N 207.317 3.535 30 20 BHED C=C(Cl)CSCc1cccc(F)c1F 913396211 RLPLGQPNSPCKAF-UHFFFAOYSA-N 234.698 3.951 30 20 BHED C=C(C)CCC(=O)N1CCCC2(CCCC2)C1 1335877366 QCSNOKHGXHPTIQ-UHFFFAOYSA-N 235.371 3.526 30 20 BHED C=C(CC(C)C)C(=O)N[C@H](C)c1cc(C)oc1C 1346369161 KSINQZDTOBIIBC-GFCCVEGCSA-N 249.354 3.676 30 20 BHED C=C(C)CCC(=O)N[C@H](C)[C@@H](C)c1ccccc1 1354480842 DCJSTNWDHRHEDM-ZIAGYGMSSA-N 245.366 3.651 30 20 BHED CCCc1ccc(Nc2ncccc2C#N)cc1 37247908 PDUWTGBHSPEQJD-UHFFFAOYSA-N 237.306 3.649 30 20 BHED CC#CCN[C@@H](C)c1ccc(Cl)cc1Cl 51662952 KUWQEOMMJCZSBN-VIFPVBQESA-N 242.149 3.667 30 20 BHED C[C@H](C#N)Sc1ccc(Cl)c(Cl)c1 83867098 VEMKRFOLOQYSBY-ZCFIWIBFSA-N 232.135 3.998 30 20 BHED C=C[C@H](C)N[C@H](C)c1sc(C(C)C)nc1C 119320824 ITVUFYJRCBZETI-VHSXEESVSA-N 238.400 3.800 30 20 BHED CCC(CC)(CC)NCc1ccccc1C#N 172671391 WYVHCWBWUHESKJ-UHFFFAOYSA-N 230.355 3.617 30 20 BHED CC#CCCCC(=O)NC(C)(C)CC(C)(C)C 184970095 XYNIJXRKJRSNIT-UHFFFAOYSA-N 237.387 3.511 30 20 BHED C=CCC1(C(=O)Nc2ccccc2C)CCC1 190247805 STLPBDLKXUZMRF-UHFFFAOYSA-N 229.323 3.680 30 20 BHED C=CCC1(C(=O)Nc2ccc(F)cc2)CCC1 190255924 USJVOOJMWWXYDI-UHFFFAOYSA-N 233.286 3.511 30 20 BHED C[C@H]1C[C@H](C)CC[C@H]1Nc1cccc(F)c1C#N 221792331 SWHMIBAWUQXZEE-UHIISALHSA-N 246.329 3.934 30 20 BHED CCC(C)(C)CNc1ccc(C#N)cc1F 233020582 RJQJOXTZOHEPDL-UHFFFAOYSA-N 220.291 3.545 30 20 BHED Cc1cccc([C@H](C)N[C@@H](C)CCC#N)c1C 276256414 AILTWGPGKTZOCL-JSGCOSHPSA-N 230.355 3.646 30 20 BHED N#C[C@H]1CC[C@@H](Sc2ccc(F)cc2F)C1 295690421 IGFYSVNIKFHYPG-WCBMZHEXSA-N 239.290 3.749 30 20 BHED Cc1cccnc1CSc1ccc(C#N)cc1 336384258 UKQXLDVTXNSBJI-UHFFFAOYSA-N 240.331 3.554 30 20 BHED CC(C)N(CCCC#N)c1ccc(Cl)cc1 337688821 MQVLVWMBZVZZMG-UHFFFAOYSA-N 236.746 3.859 30 20 BHED C=CCCN(C)[C@H](C)c1c(F)cccc1F 338548572 JVEKIIXQRPEKOW-SNVBAGLBSA-N 225.282 3.534 30 20 BHED C=CCN(Cc1c(C)oc2ccccc12)C1CC1 350312235 ASGMLYKKKSJXKG-UHFFFAOYSA-N 241.334 3.892 30 20 BHED N#CCc1ccc(CSCCCCF)cc1 350768105 RYGDMKXNQGYYAP-UHFFFAOYSA-N 237.343 3.736 30 20 BHED CC(C)(C)CSCc1cc(F)ccc1C#N 440586654 DNLGHRNVIZRYSK-UHFFFAOYSA-N 237.343 3.977 30 20 BHED N#C[C@H]1CC[C@@H](Nc2cccc3ccccc23)C1 442839033 MEQRFHUPNDOIFI-GXTWGEPZSA-N 236.318 3.944 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccc(C#N)c(F)c1 453302742 ARIAEYGODCYJCE-NSHDSACASA-N 246.329 3.560 30 20 BHED C=CCC1(C(=O)NC[C@H]2CCCC[C@@H]2C)CCC1 478122039 LXAWYQGIVMTWRE-UONOGXRCSA-N 249.398 3.675 30 20 BHED C[C@H](c1ccc(C#N)cc1)N1CCc2ccccc21 488498683 XDUVPQYEWAYPEH-CYBMUJFWSA-N 248.329 3.682 30 20 BHED C=C(C)CN(Cc1ccccc1F)C(C)C 520173693 WGJGZDVJUYCANR-UHFFFAOYSA-N 221.319 3.612 30 20 BHED CC(C)(C#N)CCCSC[C@H]1CCCCO1 532457347 FFKZNOWJZZJAIL-GFCCVEGCSA-N 241.400 3.619 30 20 BHED C=C(CC)CNc1c(F)cccc1N1CCCC1 540194482 KXEWZQQDTVATAD-UHFFFAOYSA-N 248.345 3.804 30 20 BHED C=CCNc1ccccc1COC(C)(C)CC 544640089 OETQVHIQNLFHGR-UHFFFAOYSA-N 233.355 3.990 30 20 BHED C=CCC(C)(C)c1noc(/C(C)=C/CC)n1 560027362 ZYOCNUJKETWGHU-CSKARUKUSA-N 220.316 3.737 30 20 BHED C=CC[C@@H]1CCCN(CC(C)(C)CCC#N)C1 597189190 ZEFZIONRXFEGQU-CQSZACIVSA-N 234.387 3.604 30 20 BHED C=CCCN1CC[C@@H](c2ccccc2)[C@@H](C)C1 607751997 BTVMLKZLAOYXOF-GOEBONIOSA-N 229.367 3.688 30 20 BHED C[C@H]1CCCC[C@H]1CCNc1cccc(C#N)n1 609893832 MSKZSRRNJKNLJU-STQMWFEESA-N 243.354 3.582 30 20 BHED CCN(Cc1ccc(C#N)cc1C)[C@@H](C)C(C)C 614396730 JUZGQDRUIPQRSR-AWEZNQCLSA-N 244.382 3.733 30 20 BHED C=CCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C(C)C 768547910 TVEGSWQVMOOHFZ-GXTWGEPZSA-N 233.355 3.799 30 20 BHED CC(C)CC[C@H]1CCCC1=NN=c1cc[nH]cc1 779812014 WFSCZEJKWJRFPY-CYBMUJFWSA-N 245.370 3.508 30 20 BHED C#CCCCCCC(=O)N1C[C@H](C)CCC[C@@H]1C 779958320 APLWQIBPLSOHBI-CABCVRRESA-N 249.398 3.607 30 20 BHED C[C@@H]1CCCC(=NOC2CCCC2)[C@@H]1C 781124281 CSYHDNCLKJKMNJ-GHMZBOCLSA-N 209.333 3.758 30 20 BHED CCC/C(C)=C/C(=O)OCCCC(C)(C)C#N 783177558 MJZKGQANXPJHJD-ZRDIBKRKSA-N 237.343 3.606 30 20 BHED CCCCCCCC(=O)N(CC)CC1CCC1 794287713 SYXLQIOQEZXIOP-UHFFFAOYSA-N 239.403 3.996 30 20 BHED CC(C)C[C@H](C)COC(=O)CCCCCC#N 805697674 CTDIMVFITDPDHF-ZDUSSCGKSA-N 239.359 3.686 30 20 BHED CC[C@H]1CCC1=NNc1cccc2cnccc12 807970727 UQWDGFNEUZVENX-NSHDSACASA-N 239.322 3.823 30 20 BHED CCC(=NOC/C=C/Cl)c1ccccc1 811670055 MOYJPVXTRBDNGI-HDLFXNJJSA-N 223.703 3.570 30 20 BHED CCOc1ccc(NN=C2CC[C@@H](C)C2)cc1 814983324 IYQKGQOECQZIPG-LLVKDONJSA-N 232.327 3.673 30 20 BHED FC(F)(F)C1CCC(CON=CC2CC2)CC1 853734554 FNGWFJFCILFWAM-UHFFFAOYSA-N 249.276 3.768 30 20 BHED C=CCC(C)(C)C(=O)NCCCCCCC 862356599 YTUDABCSLYRSGV-UHFFFAOYSA-N 225.376 3.675 30 20 BHED Cc1ccc([C@@H](C)C=NOC(C)C)cc1 863115923 CYJUZQLUXPUCJQ-LBPRGKRZSA-N 205.301 3.509 30 20 BHED CC(C)SCCCCC1(C#N)CCC1 901756411 ACAVVGQOZOWFJZ-UHFFFAOYSA-N 211.374 3.992 30 20 BHED CCCCCCCc1nnc(-c2cccnc2)o1 1117166961 JEBDTOSEAAOYFU-UHFFFAOYSA-N 245.326 3.645 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)c1cccc(C)c1 1336760247 PQRBILHHQMWFFZ-OAHLLOKOSA-N 243.350 3.566 30 20 BHED CC(C)CCCC=NNc1ccc(C(=O)O)cc1 1776012221 JQVXLOURVCFZJQ-UHFFFAOYSA-N 248.326 3.609 30 20 BHED Cc1ccc(C)c(OCc2ccc(C#N)cc2)c1 11834241 NQCCCHGCCVASMZ-UHFFFAOYSA-N 237.302 3.754 30 20 BHED Cc1ccc(C(=O)/C=C\c2ccc(O)cc2)cc1 34953953 FANQEIMTCNGAGK-WDZFZDKYSA-N 238.286 3.597 30 20 BHED Cc1ccc(C#N)cc1NCCCC(C)(C)C#N 87598028 MDHLRRMFXTXEJD-UHFFFAOYSA-N 241.338 3.609 30 20 BHED C=CC[C@H](C)N[C@H]1CCc2c(Cl)cccc21 125930404 OSGIXASLMYESAV-HZMBPMFUSA-N 235.758 3.882 30 20 BHED C=CCC[C@H](C)N[C@@H](C)CCc1ccccc1 130507061 GNMRKIINTCYPSK-GJZGRUSLSA-N 231.383 3.952 30 20 BHED C#CCCCCN[C@H]1CCC[C@H]1CCCC 130732760 UTJJKTJLNZACLG-CABCVRRESA-N 221.388 3.738 30 20 BHED C[C@H](c1ccco1)N(C)CC(C)(C)CCC#N 131153140 WEVXKOMHQNOSRE-GFCCVEGCSA-N 234.343 3.602 30 20 BHED N#Cc1ccc(C(=O)/C=C/c2ccccc2)s1 134497742 UCSJGZOQEWKGKZ-SOFGYWHQSA-N 239.299 3.516 30 20 BHED C=C(Cl)CNCc1c(CC)oc2ccccc12 134792462 RWTHYAKQTWGWFT-UHFFFAOYSA-N 249.741 3.837 30 20 BHED CC(C)Cc1ccc(CN(C)[C@H](C)CC#N)cc1 161748717 JGTOCJHNZIEMNV-CQSZACIVSA-N 244.382 3.619 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cc(C)ccc1OC 163333368 IIIHVFUXJKVAFX-QWHCGFSZSA-N 233.355 3.619 30 20 BHED C#CCCCN[C@H]1C[C@@H](C)c2c(C)cccc21 179429347 HGDZXNQJIUNXIJ-HIFRSBDPSA-N 227.351 3.546 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc(F)c(F)c1 189776647 KERZVWQHJPPBIE-ZDUSSCGKSA-N 239.265 3.506 30 20 BHED CCCCCCCCCN(C)Cc1ncccn1 191958588 KTNIUBWQYVDMFS-UHFFFAOYSA-N 249.402 3.659 30 20 BHED C#CCCCN[C@H]1CCC[C@@H](CC(C)C)C1 232612035 NEYGCAGIBHFZOH-GJZGRUSLSA-N 221.388 3.594 30 20 BHED CCCN(CCCCC(C)(C)C#N)C1CC1 233041100 HQLGIAPUKFCPPX-UHFFFAOYSA-N 222.376 3.581 30 20 BHED C[C@H]1C[C@@H](C)CCN(CC(C)(C)CCC#N)C1 252802631 PJEVEOSXHHBWKP-KBPBESRZSA-N 236.403 3.684 30 20 BHED C=CCCCSCCc1csc(C)n1 271046861 URVVEQPUBWTFGC-UHFFFAOYSA-N 227.398 3.693 30 20 BHED N#Cc1cccc(Cl)c1NC1CCCC1 301212845 WWMYVNPIWVHDHH-UHFFFAOYSA-N 220.703 3.566 30 20 BHED CCCCCCCCCNCc1nccs1 302907507 YLRCSGSLXGZERI-UHFFFAOYSA-N 240.416 3.983 30 20 BHED C=CC[C@@H](CC)N[C@@H](CC)c1ccc(C#N)cc1 343507501 OXYQFHFQQXRUKJ-CVEARBPZSA-N 242.366 3.954 30 20 BHED C=CCCC1(c2nc([C@@H](C)CC)no2)CC1 345878238 CCUFPVJIIHGXQV-JTQLQIEISA-N 220.316 3.581 30 20 BHED Cc1c(C#N)cccc1NCc1ccccc1F 354786059 JRQOSKPWYKPYIO-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CCCCCCC[C@H](C)NCc1cnc(C)o1 397853628 AIBHIOFJFZAXQK-LBPRGKRZSA-N 238.375 3.822 30 20 BHED C=CCC[C@H](C)Nc1ccc2ccn(C)c2c1 443092586 JXMYVXNJCDXWJY-LBPRGKRZSA-N 228.339 3.945 30 20 BHED CC[C@@]1(C(C)C)C[C@@H]1NC1CCC(C)(C#N)CC1 453427148 ONPMIJKXLHVUAA-GRAKBVBRSA-N 248.414 3.873 30 20 BHED C=CCC[C@@H](CC)NCc1ccc(C)c(C)n1 459678365 VNJWKCBZFZTLKU-CQSZACIVSA-N 232.371 3.533 30 20 BHED C=CCOCCCSCCc1ccccc1 479605497 WILVBHYYMJYYAU-UHFFFAOYSA-N 236.380 3.555 30 20 BHED C=CCN(CCC(C)C)Cc1cccc(C#N)c1 520137737 KNYWEWZQFJDMRN-UHFFFAOYSA-N 242.366 3.592 30 20 BHED C=C(CC)CN1CCC[C@H]1c1ccccc1OC 538001307 VVOVXLHOXDCSEZ-HNNXBMFYSA-N 245.366 3.798 30 20 BHED CC#CCNC(C)(c1ccccc1)c1ccccc1 540403222 CXLIDNTZMWFWAR-UHFFFAOYSA-N 249.357 3.563 30 20 BHED C=C[C@](C)(CC)c1nc(-c2ccc(F)cc2)no1 579159651 VWVXBEKUAGOOSK-CQSZACIVSA-N 246.285 3.729 30 20 BHED N#CCCCCN1CCC[C@@H](C2CCCCC2)C1 595880706 NUQQPLIPMQCMJK-MRXNPFEDSA-N 248.414 3.973 30 20 BHED N#CCC1(CSCC2=CCCC2)CC1 596377062 ZAAYRLKWLGZVAG-UHFFFAOYSA-N 207.342 3.524 30 20 BHED C=CC[C@@H]1CCCN(C(=O)CCC(C)(C)C)C1 617783706 FLJMKHKKTPJESZ-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C[C@@H]1CC(C)(C)C[C@H]1Nc1cc(F)cc(C#N)c1 718564042 JAEXWEXHSWFQIY-QMTHXVAHSA-N 246.329 3.934 30 20 BHED CC(C)CC=NNc1cc(F)c(F)cc1F 734302866 SMJULIQRGXIXSN-UHFFFAOYSA-N 230.233 3.548 30 20 BHED C=C(C)CCOC(=O)/C=C(/C)c1ccc(F)cc1 744304630 UKXSQMVPQQLIKR-BENRWUELSA-N 248.297 3.738 30 20 BHED CCc1ccccc1NN=C(C)c1ccoc1 755892159 DILRSGYNKWJPEL-UHFFFAOYSA-N 228.295 3.678 30 20 BHED CC(CC1CCC1)=NNc1cccc(C)c1 758360716 ZJLKYCJVNQCYBV-UHFFFAOYSA-N 216.328 3.973 30 20 BHED CCCCC(C)=NNc1cc(F)cc(OC)c1 759210627 TZVJUAXGMZSWST-UHFFFAOYSA-N 238.306 3.812 30 20 BHED COc1ccc(C=NNc2cccc(C)c2)s1 763105542 LTYZOUHWZXFKDZ-UHFFFAOYSA-N 246.335 3.511 30 20 BHED CCC[C@@H](C(=O)Oc1ccc(C#N)cc1)C(C)C 764144587 XNWOQVSJWZHHBE-CQSZACIVSA-N 245.322 3.536 30 20 BHED C=C(CC)COC(=O)c1coc2ccccc12 773517168 VZDWATVQQAWJAQ-UHFFFAOYSA-N 230.263 3.556 30 20 BHED C(=NOC1CCCC1)c1nccc2ccccc12 774596305 CAIHVLRBFBVJNV-UHFFFAOYSA-N 240.306 3.528 30 20 BHED C=C(Cl)CN[C@@H]1CC[C@@](C)(c2ccccc2)C1 783251302 JRVIUFWICHVPJG-HUUCEWRRSA-N 249.785 3.839 30 20 BHED Clc1sccc1C=NNC1CCCCC1 790173502 HTXDPPROOAVFOX-UHFFFAOYSA-N 242.775 3.658 30 20 BHED CC[C@@H](C)CON=C(C)c1cc(C)oc1C 793143852 APLRUXUZIHWUHZ-SECBINFHSA-N 223.316 3.683 30 20 BHED CC(C)CON=C1CCC[C@H]1CCCF 800813983 FOZHDYCYWINLNQ-NSHDSACASA-N 215.312 3.565 30 20 BHED Fc1cccc(C2CC(=NOC3CCC3)C2)c1 812235951 SOYSGCIHKFMMTJ-UHFFFAOYSA-N 233.286 3.628 30 20 BHED N#CCCCC(=O)OCCC1CCCCCC1 813096406 LIOMJVJZHAVIDH-UHFFFAOYSA-N 237.343 3.584 30 20 BHED C#CC[C@@H](NCC1(C)CCC1)c1ccccc1 814629524 PIBKNVMWIGLKAU-OAHLLOKOSA-N 227.351 3.531 30 20 BHED c1ccc(CON=C2CC[C@@H]2C2CCC2)cc1 814791730 LJKUNPPYXXXNMH-CQSZACIVSA-N 229.323 3.769 30 20 BHED N#CCSC1CCC(c2ccccc2)CC1 871697096 SSLXTVTZBLRUOD-UHFFFAOYSA-N 231.364 3.970 30 20 BHED C=C/C=C/CCN(C)[C@H](C)c1cccc(C#N)c1 878728226 KXWHOPSALHIEKK-VBROQKIQSA-N 240.350 3.683 30 20 BHED C#C[C@@H](CCC)NC(=O)[C@H](C)CC1CCCCC1 1343566180 GJFHLAYMIRLYKH-HIFRSBDPSA-N 249.398 3.511 30 20 BHED C=C(Cl)CNC1(Cc2ccccc2)CCCC1 1617089275 SVQWCQFFSGHLTB-UHFFFAOYSA-N 249.785 3.884 30 20 BHED CCCCCCCCCN(C)C[C@H](C)C#N 88239551 ZUDCMSILRHXNNZ-CQSZACIVSA-N 224.392 3.828 30 20 BHED C[C@@H]1CCCC[C@@H]1CNc1cccc(F)c1C#N 93396624 QROKCYUBZNAHSI-VXGBXAGGSA-N 246.329 3.936 30 20 BHED C[C@H](CNc1ccc(F)cc1C#N)C(C)(C)C 97635629 JXNBYHLTAXZNEZ-SNVBAGLBSA-N 234.318 3.791 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cc(C)ccc1C 98130029 LFBQDKOGYKNHKA-OLZOCXBDSA-N 203.329 3.529 30 20 BHED C=CCCC(=O)N1CCCC2(CCCCC2)C1 111161108 BNNIFRGPVJSDJM-UHFFFAOYSA-N 235.371 3.526 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1 119348200 SPHMDPXNWIRKNR-ZJUUUORDSA-N 243.272 3.931 30 20 BHED C=CCC(CC=C)C(=O)N1CCCC(C)(C)CC1 150875315 UIAIDPNDKFUIIK-UHFFFAOYSA-N 249.398 3.794 30 20 BHED C=CCCSCc1ccc(Cl)nc1 151979965 PEBRIHPOTPTPBK-UHFFFAOYSA-N 213.733 3.544 30 20 BHED C=CC[C@H](C)NC(=O)[C@@H](C)CCCCCC 173800772 VUZCQOFXZDTIGG-STQMWFEESA-N 225.376 3.674 30 20 BHED CC[C@]1(C)CCCN(CCCC(C)(C)C#N)C1 174879467 VNGQJUWPNMGMSQ-OAHLLOKOSA-N 236.403 3.828 30 20 BHED CC[C@@H](Cc1ccc(C)cc1)NCCCCC#N 178643600 VZSFQBCDDGJOAU-INIZCTEOSA-N 244.382 3.600 30 20 BHED C[C@@H]1CCC[C@@H](CSCCCC#N)C1 190996397 XEVWHMPOQZDZSK-VXGBXAGGSA-N 211.374 3.850 30 20 BHED CC[C@@H](C)CSCc1cc(F)ccc1C#N 233839200 UDXMGCKYWYIKFO-SNVBAGLBSA-N 237.343 3.977 30 20 BHED Cc1cc(C)cc(/C=C\C(=O)c2ccco2)c1 255754372 JOFGHAGKMJABCT-WAYWQWQTSA-N 226.275 3.793 30 20 BHED C[C@H]1C[C@@H](C)C[C@H](Nc2cc(F)cc(C#N)c2)C1 299933829 SFAZPUBVPOTZRF-YABSGUDNSA-N 246.329 3.934 30 20 BHED N#CCc1cccc(NCC2CCCCC2)c1 313432933 ZCMJOAZIJKQVDD-UHFFFAOYSA-N 228.339 3.745 30 20 BHED Cc1ccc(NC2CCC(C)(C#N)CC2)c(C)n1 334667296 ZKIJUPNEBSKOIS-UHFFFAOYSA-N 243.354 3.583 30 20 BHED CC(C)N(CCCCC(C)(C)C#N)C1CC1 336666880 LOWMPAOPNRXTJM-UHFFFAOYSA-N 222.376 3.579 30 20 BHED CC(C)(CCC#N)CN[C@@H]1CCC[C@@H](C2CC2)C1 344634271 SAHGTJDILQVZQO-HUUCEWRRSA-N 248.414 3.875 30 20 BHED C=CCCC1(C(=O)N(C)C2CCCCC2)CC1 353854071 VQUCAQUUIHTDIW-UHFFFAOYSA-N 235.371 3.524 30 20 BHED C[C@H](NCC1=CCCCC1)c1cccc(C#N)c1 379577715 CPXBADYDAPVPDR-ZDUSSCGKSA-N 240.350 3.709 30 20 BHED N#CCC1CCN(CCC2=CCCCC2)CC1 397162872 XABRIIMDGBWIAM-UHFFFAOYSA-N 232.371 3.503 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 424688236 NTUDXZPHLPZCKT-UONOGXRCSA-N 249.398 3.674 30 20 BHED C=C(CC)CNC/C=C\c1ccc(F)cc1F 449732924 FJPAJZTUQAKXDF-PLNGDYQASA-N 237.293 3.534 30 20 BHED Cc1cccc(CS[C@@H](C)CCC#N)c1 451030960 OFMHKVNVPYZVKO-LBPRGKRZSA-N 219.353 3.921 30 20 BHED C=CC[C@@H](CC)NC(=O)C(C)(C)C1CCCC1 466546183 WAMSXIQUEDRCBD-CYBMUJFWSA-N 237.387 3.674 30 20 BHED C=CCCCN1C[C@@H](C)[C@H]1c1ccccc1 483073198 TXODNJXPBHIZNU-HIFRSBDPSA-N 215.340 3.646 30 20 BHED C=CCCCCCN(C)C(=O)CCC1CCC1 487599897 BTVSFSFBBVIAFK-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C=C(C)CNCc1ccc(-c2ccc(C)cc2)o1 512394631 ICKRAOWTQRTKMJ-UHFFFAOYSA-N 241.334 3.921 30 20 BHED C=CC[C@H](C)N[C@@H](Cc1cccc(C)c1)C1CC1 540171466 XOWYAWHTHWEMBF-YOEHRIQHSA-N 243.394 3.870 30 20 BHED CCCC[C@H](C)N(CCC#N)CCCC 555673751 ULCHOMPICGRBBJ-ZDUSSCGKSA-N 210.365 3.581 30 20 BHED C=C(C)CCN[C@H]1CCCc2c(OC)cccc21 572092602 PVCUEKFHDHCBNB-HNNXBMFYSA-N 245.366 3.628 30 20 BHED CC[C@@H](CC#N)N[C@@H]1CCc2ccc(Cl)cc21 574581584 OXFZLGCJVYFEQF-GXTWGEPZSA-N 248.757 3.609 30 20 BHED CC[C@@H](C)[C@@H](C)N(CC1(CC#N)CC1)C1CC1 602772641 MIZHIBTXDLWGJG-CHWSQXEVSA-N 234.387 3.579 30 20 BHED CC(C)[C@H](C)S[C@@H](C#N)Cc1ccccc1 610288500 VLEPDMMIXAKERT-GXTWGEPZSA-N 233.380 3.899 30 20 BHED C=CCCN[C@H](C)Cc1coc2ccccc12 658113904 JLPXXWWKYVTRGI-GFCCVEGCSA-N 229.323 3.530 30 20 BHED C=CCC[C@H](NCc1ccoc1C)c1ccco1 671743652 GNRWUVKINUAZEX-AWEZNQCLSA-N 245.322 3.978 30 20 BHED C=CC[C@H](C)NC(=O)Nc1ccc(C2CC2)cc1 678565605 AHBRXXOLHKXORN-NSHDSACASA-N 244.338 3.650 30 20 BHED C#Cc1cccc(N[C@H](C)Cc2ccsc2)c1 689969594 BMXFMFHMEYOHMJ-GFCCVEGCSA-N 241.359 3.773 30 20 BHED C=CCCOC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 740176561 SHFTUJPVIMDKNE-DZGCQCFKSA-N 246.350 3.936 30 20 BHED C=CCCN(Cc1ccc(N(C)C)cc1)C(C)C 740423556 NXMTVFXXYXTEHI-UHFFFAOYSA-N 246.398 3.539 30 20 BHED CCC(=NNc1ncnc2ccsc12)C(C)C 764840500 IVRIMPSVFHIZMB-UHFFFAOYSA-N 248.355 3.525 30 20 BHED CCC[C@H](C)[C@@H](CC)NCc1ccc(C#N)cc1 765015028 MFNBSRWLYMGNRT-XJKSGUPXSA-N 244.382 3.863 30 20 BHED C=C(Cl)CN[C@@H]1C[C@H](c2ccccc2)C1(C)C 766329182 JHBDIARJHPLSQV-ZIAGYGMSSA-N 249.785 3.911 30 20 BHED C=C(Cl)CN[C@H]1CCC[C@H]1Cc1ccccc1 773004597 MLEPYOFGRYXVNB-GJZGRUSLSA-N 249.785 3.740 30 20 BHED FC(F)(F)CCON=CCCc1ccccc1 777460135 MXGKKEAEFNLUBU-UHFFFAOYSA-N 245.244 3.574 30 20 BHED C=C(C)CNC(=O)[C@@H](CC)CCCCCC 779126192 SYBCKKXIUXTSEY-ZDUSSCGKSA-N 225.376 3.675 30 20 BHED C/C=C\C[S@](=O)CCCCCCCC 790140875 YQCJKQYEJGGGEM-SDQPKGBYSA-N 216.390 3.672 30 20 BHED CCc1cc(N=Cc2ccccc2O)ccc1F 794678432 AZTFIYCFWXUMLB-UHFFFAOYSA-N 243.281 3.844 30 20 BHED C=C(CC)COc1cccc(Cl)c1[N+](=O)[O-] 814774955 AJHJGMQUYOAJTK-UHFFFAOYSA-N 241.674 3.593 30 20 BHED CC(C)ON=CC[C@@H](C)c1ccccc1 835000174 KRFAZNMGSCZEBY-GFCCVEGCSA-N 205.301 3.591 30 20 BHED CC1(C)C(=NOCCC(F)(F)F)[C@H]2CCC[C@H]21 853336045 NHJKBGUWYOKKQO-DTWKUNHWSA-N 249.276 3.768 30 20 BHED C=C[C@@](C)(CC)COC(=O)[C@@H]1C[C@H]1c1ccco1 860690804 GNZGFWZMAYFFAF-JMSVASOKSA-N 248.322 3.529 30 20 BHED CCCNN=Cc1ccc(-c2ccc(C)cc2)o1 915965299 FKEQETVAZJAKBJ-UHFFFAOYSA-N 242.322 3.589 30 20 BHED Cc1ccc(C=NNc2ccc(F)cc2)c(C)c1 916268135 LUGMYHZEVZGCQV-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C/C=C\C(=O)N(C)CCCCCCCCC 918668866 UZAHIAAJKSASST-XGICHPGQSA-N 225.376 3.772 30 20 BHED C=C[C@@](C)(CC)c1nnc(C2CCCC2)o1 1118427388 IQOSPEXWMDWWLJ-ZDUSSCGKSA-N 220.316 3.581 30 20 BHED C[C@H](Nc1ccc(C#N)cn1)C1CCCCCC1 1639761057 ITKWGVZLUGNIIU-LBPRGKRZSA-N 243.354 3.724 30 20 BHED N#Cc1cccnc1N[C@@H](c1ccccc1)C1CC1 23616859 FEXCAUUVRCTMMH-HNNXBMFYSA-N 249.317 3.516 30 20 BHED C=CCNC(=O)c1ccc(C2CCCCC2)cc1 59000662 ABIIMNNBARURMW-UHFFFAOYSA-N 243.350 3.650 30 20 BHED C[C@H](CC#N)N(C)Cc1csc2ccccc12 70165151 BTCJMOIHLJFSSU-LLVKDONJSA-N 244.363 3.635 30 20 BHED CC(C)(C#N)CCCSc1nccs1 83642802 USWRUMPRLCVBKE-UHFFFAOYSA-N 226.370 3.565 30 20 BHED C=C(C)CSCc1csc(CCC)n1 121745489 QFSQHRAPDHMUPH-UHFFFAOYSA-N 227.398 3.905 30 20 BHED C=CC[C@@H](C)NCc1c(C)cc(C)cc1C 124265947 AXFQIEBXYXGPDQ-CQSZACIVSA-N 217.356 3.666 30 20 BHED CCC[C@@H]1[C@H](C)CCCN1CCCCC#N 173704877 SHCASLORTXTFAE-ZIAGYGMSSA-N 222.376 3.581 30 20 BHED C[C@@H]1CCC[C@H](CNCC(C)(C)CCC#N)C1 174301552 FDDYDJFWBGIHHR-KGLIPLIRSA-N 236.403 3.732 30 20 BHED C=CCCCC(=O)NCc1c(C)cc(C)cc1C 175239621 BFFMDFLKOIGBKC-UHFFFAOYSA-N 245.366 3.584 30 20 BHED C=C(C)CN(C)C(=O)N[C@H](CCC)CCCC 181355552 YBNCDWHTVKAXJK-CYBMUJFWSA-N 240.391 3.563 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cccc(F)c1C 188605628 IRUORBNZKZZJLV-CQSZACIVSA-N 235.302 3.675 30 20 BHED CC(C)CCSCc1cc(C#N)ccc1F 222938614 VCERKVFOBANTBJ-UHFFFAOYSA-N 237.343 3.977 30 20 BHED CC(C)CSCc1cc(F)ccc1C#N 229948476 UBSVJGICEOWBIX-UHFFFAOYSA-N 223.316 3.587 30 20 BHED CC[C@H](C)CN(C)[C@H](C)c1ccc(C#N)cc1 246301900 FIYJWMISGIPURJ-QWHCGFSZSA-N 230.355 3.597 30 20 BHED C=CC(C)(C)C(=O)Nc1cccc(C)c1Cl 295139294 OJMBTUSNRBDUNR-UHFFFAOYSA-N 237.730 3.799 30 20 BHED CCCCCNc1ccc2cc(C#N)ccc2n1 301980826 PYRSJZLSYHKRPS-UHFFFAOYSA-N 239.322 3.709 30 20 BHED CC1(C)C[C@H](Sc2cccc(C#N)c2)CCO1 334577804 KIQRWTWYYHIBBU-CYBMUJFWSA-N 247.363 3.608 30 20 BHED C=CC[C@H](CC)NC(=O)c1cc(C(C)C)oc1C 355427723 XZRVWEXJNSZMKG-LBPRGKRZSA-N 249.354 3.796 30 20 BHED C=CCN(Cc1ccc(SC)s1)C1CC1 356422167 VAPNHTRSZJWKNW-UHFFFAOYSA-N 239.409 3.620 30 20 BHED C=CCCCN[C@H](C)[C@@H]1CC2CCC1CC2 382074027 HJUYUAKATYPQGR-URGYJCLVSA-N 221.388 3.757 30 20 BHED CN(CC(C)(C)C#N)[C@@H]1CCCc2ccccc21 433311099 FRTAOKOUWJNOSZ-OAHLLOKOSA-N 242.366 3.546 30 20 BHED C=CCC1(C(=O)N2CC(CC)(CC)C2)CCCC1 452154780 TYTNPCANLGQIHO-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CCCCCCN(C)C(=O)[C@H]1C[C@]1(C)CC 466243878 GVULKLSIPUJGOG-HIFRSBDPSA-N 237.387 3.627 30 20 BHED CC#CCCCC(=O)N1CCCC[C@@H]1[C@H](C)CC 466418111 VSCQRYBINURDGP-HUUCEWRRSA-N 249.398 3.607 30 20 BHED C=C(C)CCN(C)Cc1ccccc1Cl 509831403 AXCQIRHEERPXAG-UHFFFAOYSA-N 223.747 3.738 30 20 BHED C=CC[C@@H](C)N[C@H](c1ccc(OC)cc1)C(C)C 537014216 GQGWJTIUEWNLOF-CJNGLKHVSA-N 247.382 3.947 30 20 BHED C=CC[C@@H](C)N[C@@H]1CC(C)(C)c2ccccc21 539071141 OCEYUQVPEJSQRF-IUODEOHRSA-N 229.367 3.963 30 20 BHED C=CC[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 595660196 SIFUEOLZLSULEF-OAHLLOKOSA-N 248.414 3.995 30 20 BHED CC#CCCSC[C@@H]1CCCCC1(F)F 596396141 REDKQKFQSBEYKT-NSHDSACASA-N 232.339 3.959 30 20 BHED CC[C@H](C)[C@@H](C)N(C[C@@H](C)CCC#N)C1CC1 602463443 GCAJGEHPIGHOGV-MELADBBJSA-N 236.403 3.825 30 20 BHED CCCC[C@H](CC)CNC[C@@H](C)CCC#N 602501770 FQECCJLMMFCSNR-KBPBESRZSA-N 224.392 3.732 30 20 BHED CCCC1CCC(NC[C@H](C)CCC#N)CC1 602519866 CAZCPMNJWPSOIF-WLYUNCDWSA-N 236.403 3.875 30 20 BHED C[C@@H](CCC1CCCCC1)NCC(C)(C)C#N 613540435 ZEZIIBWAHFHCRL-ZDUSSCGKSA-N 236.403 3.875 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc(F)c(CC)c1 646242370 BKEWWLDBUDCKQG-UHFFFAOYSA-N 249.329 3.929 30 20 BHED CCC1(CC)CCCN(CCC(C)(C)C#N)C1 690553816 XFGDOINBDUYDID-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C1CCC(NN=C2CC[C@H]3CCCC[C@@H]3C2)C1 727651875 CRGLAGIHFORPEF-CHWSQXEVSA-N 234.387 3.865 30 20 BHED CCCCC(CC)=NNCc1ccccc1 732923996 ODBNTHLMMJTJQX-UHFFFAOYSA-N 218.344 3.732 30 20 BHED CCC(CC)NN=Cc1cccc(OC(C)C)c1 734365027 PWZUPBDCBMYKTM-UHFFFAOYSA-N 248.370 3.586 30 20 BHED C=CCOC(=O)[C@@H](CC(C)C)c1ccccc1 741052330 WVMNQAYBNQQVKY-AWEZNQCLSA-N 232.323 3.546 30 20 BHED CC(=NNCc1ccccc1Cl)C1CCC1 747632638 GFOYPOGUPDNHNY-UHFFFAOYSA-N 236.746 3.606 30 20 BHED C=CCCCC(=O)O[C@@H](C)c1ccccc1F 748225281 HVFIXHDGIMHIPC-NSHDSACASA-N 236.286 3.786 30 20 BHED CC[C@@H]1CCCC1=NNc1ccc(F)cc1 758360478 WHGURMSRLFVWBE-SNVBAGLBSA-N 220.291 3.804 30 20 BHED Cc1cc(OC(=O)CCC(C)(C)C)ccc1C#N 765117340 AZZZTLNQEMHVHR-UHFFFAOYSA-N 245.322 3.598 30 20 BHED C=C(Cl)CN[C@H]1C[C@H](c2ccccc2)C1(C)C 766329175 JHBDIARJHPLSQV-KGLIPLIRSA-N 249.785 3.911 30 20 BHED CCCC(CC)=NNc1nncc2ccccc12 776184261 ZZEVQIULVOYOBE-UHFFFAOYSA-N 242.326 3.608 30 20 BHED CC1(C)CCC[C@@H]1NN=C1CCCCCC1 782289697 VLRBMWRKCQKDLB-ZDUSSCGKSA-N 222.376 3.865 30 20 BHED CC(C)Oc1ccc(N[C@@H]2CC[C@@H]2C)cc1C#N 783661957 VHGNUYMVGNLSHA-SMDDNHRTSA-N 244.338 3.556 30 20 BHED COc1ccc(NN=C[C@@H]2CCCC[C@H]2C)cc1 783856579 DPAOMLZVAPAMPR-OLZOCXBDSA-N 246.354 3.919 30 20 BHED C#C[C@H](CCC)NC(=O)[C@@H](CC)CC1CCCC1 791742703 KZSNXHXCRVRHIA-LSDHHAIUSA-N 249.398 3.511 30 20 BHED C=CCCCCCCCN[C@H](C)c1ncc[nH]1 810243155 MEUUDMJRPZBVPS-CYBMUJFWSA-N 235.375 3.587 30 20 BHED C=CCC(C)(C)CNC(=O)C(C)=C1CCCC1 817457753 WYJYIPSEGZYOEI-UHFFFAOYSA-N 235.371 3.595 30 20 BHED C=C[C@](C)(CC)COC(=O)CC1CC(F)(F)C1 835341978 YOMMTZSWQIRHEA-GFCCVEGCSA-N 246.297 3.567 30 20 BHED Cc1cccc(NN=C2CCC[C@@H]2C(C)C)n1 863159559 ADKWPVUBZAAPQL-GFCCVEGCSA-N 231.343 3.614 30 20 BHED C=C1CC(c2noc(-c3ccc(CF)cc3)n2)C1 896873693 FOAKSLGUBHCAAJ-UHFFFAOYSA-N 244.269 3.640 30 20 BHED CC(CCc1ccco1)=NNc1cccc(F)c1 920384426 VTYOLGIRDZYOFX-UHFFFAOYSA-N 246.285 3.839 30 20 BHED C=C(Cl)CNC(C)(C)C1CCCCC1 1193859545 LKUCYXUKCABFIP-UHFFFAOYSA-N 215.768 3.687 30 20 BHED CC(=NOC(C)(C)C)c1ccccc1Cl 1319804138 YNMGWOJWNAILLG-UHFFFAOYSA-N 225.719 3.879 30 20 BHED C=C[C@@H](COC)NCC[C@@H](C)CCC=C(C)C 1321090795 SVFYCSQESAMJGK-GJZGRUSLSA-N 239.403 3.550 30 20 BHED C=C(CC(C)C)C(=O)N1CC[C@@H]1c1ccccc1 1350901147 WNKDBLWDMITENT-OAHLLOKOSA-N 243.350 3.562 30 20 BHED N#Cc1ccc(OCC2CCCC2)c(Cl)c1 42274580 YQSYWTJJTYLPNS-UHFFFAOYSA-N 235.714 3.781 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cc(C)ccc1C 98130027 LFBQDKOGYKNHKA-STQMWFEESA-N 203.329 3.529 30 20 BHED Oc1ccccc1/C=N\Cc1ccc(Cl)cc1 103010672 RCBDEWUBTICDBZ-YBEGLDIGSA-N 245.709 3.665 30 20 BHED N#CCCCCN[C@H]1CCC[C@@H]1c1ccccc1 118966802 RVGJFKNQEMNOQG-CVEARBPZSA-N 242.366 3.606 30 20 BHED N#CCCCOc1cccc(NCC2CCC2)c1 149511182 XWBJTMAFFGAMEP-UHFFFAOYSA-N 244.338 3.581 30 20 BHED CC(C)C[C@H]1CCCN1Cc1cc(C#N)cs1 153460452 LTWNDJUMAFYWBB-CYBMUJFWSA-N 248.395 3.630 30 20 BHED C=C[C@H](C)N[C@@H]1CCCc2c1[nH]c1ccccc21 159749007 XBVYOGRVGDMBCO-XHDPSFHLSA-N 240.350 3.709 30 20 BHED C#CCCCCC(=O)N(c1ccccc1)C(C)C 180108984 GCESGYOFUDADTD-UHFFFAOYSA-N 243.350 3.622 30 20 BHED Cc1cc(C)cc(N[C@H]2CCC[C@H](C#N)C2)c1 185723508 ONJILIXKIQSHMT-KBPBESRZSA-N 228.339 3.798 30 20 BHED C=CC1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1 249404081 VYHQZECCMDRWDK-CTYIDZIISA-N 249.398 3.627 30 20 BHED CCCC[C@@H]1CCC[C@H]1Nc1ccc(C#N)cn1 301173387 VHKVVAGJZKGNLT-ZIAGYGMSSA-N 243.354 3.724 30 20 BHED C[C@H](CCC1CC1)Nc1ccc(Cl)c(C#N)n1 302225611 RPTOLBKIHGYQKR-SECBINFHSA-N 249.745 3.597 30 20 BHED C=CCC[C@H](NCC(CC)CC)C1CC1 308899689 AZUZXGSPGQKYLA-AWEZNQCLSA-N 209.377 3.757 30 20 BHED C=CCCCCN[C@H]1CCc2ccc(OC)cc21 311016281 MYZLALRPJHIVBE-INIZCTEOSA-N 245.366 3.628 30 20 BHED Cc1coc(C)c1/C(O)=N/[C@@](C)(C#N)CC(C)C 330470511 MPZTTZOJMWRXRM-CQSZACIVSA-N 248.326 3.529 30 20 BHED C=CCC[C@@H](CC)N[C@@H](C)c1ccncc1F 338025491 XJJRONUBXFKBJZ-NWDGAFQWSA-N 236.334 3.616 30 20 BHED C=CCCCN1Cc2cccc(Cl)c2C1 347455647 RVHBHUURFJLYSR-UHFFFAOYSA-N 221.731 3.622 30 20 BHED C=CC[C@@H](CC)NC(=O)c1cc(C(C)C)oc1C 355427718 XZRVWEXJNSZMKG-GFCCVEGCSA-N 249.354 3.796 30 20 BHED C[C@H]1C[C@H](c2ccccc2)CCN1CCCC#N 374174072 IMACMZCZDFNEBX-GOEBONIOSA-N 242.366 3.558 30 20 BHED C=CCC[C@@H](C)N[C@H]1CCCc2cc(N)ccc21 414941828 YXXWYGAILHJPPH-WBMJQRKESA-N 244.382 3.591 30 20 BHED C=C(CC)COc1ccccc1SC 419072250 BEGVLWOKXRGFOP-UHFFFAOYSA-N 208.326 3.754 30 20 BHED C=C[C@@H](CC(=O)NC[C@H](C)CC)c1ccccc1 421589589 JZBHPXYTAXLESN-KGLIPLIRSA-N 245.366 3.509 30 20 BHED C=CCCN(C)Cc1ccc(C)cc1Cl 447270179 GJDSUOZHKYVZQX-UHFFFAOYSA-N 223.747 3.656 30 20 BHED C=C(C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 448550899 MMMQLZNMFOBSIK-SOUVJXGZSA-N 249.398 3.675 30 20 BHED C=C(C)CCNC/C(C)=C/c1ccccc1 449471395 COXLOFBVDLYWOE-SDNWHVSQSA-N 215.340 3.646 30 20 BHED CC[C@]1(C(C)C)C[C@@H]1NCc1ccc(C#N)s1 453613764 ONKZDGCXXQSTCM-UONOGXRCSA-N 248.395 3.534 30 20 BHED Cc1c(COC(C)(C)C)cccc1N[C@H](C)C#N 466990364 WVDIWDGITCVZGF-LLVKDONJSA-N 246.354 3.634 30 20 BHED C=CCCCC(=O)N[C@H]1CCC(C)(C)C[C@@H]1C 482272993 VKSBEZMQHPGZHR-STQMWFEESA-N 237.387 3.674 30 20 BHED CC1=C(C)CN([C@H](C)c2cccc(C#N)c2)CC1 483378462 NVFVKHLFFYIAAR-CQSZACIVSA-N 240.350 3.661 30 20 BHED C=CCN(Cc1ccccc1F)[C@@H](C)CC 501080291 WFOHSQIBSIDUND-LBPRGKRZSA-N 221.319 3.612 30 20 BHED CCCC[C@@H](CC)CN1CCC(F)(C#N)CC1 510918742 GMFDKZKVHGASMW-CYBMUJFWSA-N 240.366 3.530 30 20 BHED Cc1cc(C)c([C@@H](C)N(C)C[C@H](C)C#N)c(C)c1 533267168 BRBANPRTMLUYTA-IUODEOHRSA-N 244.382 3.764 30 20 BHED N#CC1(CSCC2CCCCCC2)CC1 546049326 ZUJYUNYTDNHWDQ-UHFFFAOYSA-N 223.385 3.994 30 20 BHED C=C(C)CCc1noc(C[C@H]2CCC[C@@H]2C)n1 558388254 LUSIKFGXADVVRZ-NWDGAFQWSA-N 234.343 3.557 30 20 BHED C=CC[C@@H](C)N[C@H](Cc1ccccc1C)C1CC1 560246024 YNCFAZMGRBYXGG-RHSMWYFYSA-N 243.394 3.870 30 20 BHED C=CCCC(=O)N[C@@H]1CCC[C@H]1CCC(C)C 590030856 ZHAILPYKEGKKKY-UONOGXRCSA-N 237.387 3.674 30 20 BHED C[C@H](N[C@H](C#N)c1ccccc1)C1CCCCC1 595409924 HFILSOMUFNWDCN-XJKSGUPXSA-N 242.366 3.810 30 20 BHED C[C@@H](CCC#N)CN[C@@H]1CCCc2ccccc21 602502285 GHVGEJWQGUHCIO-XJKSGUPXSA-N 242.366 3.593 30 20 BHED Cc1cccc([C@H](C)NC[C@@H](C)CCC#N)c1C 602546176 PMHNPTFEBINXQK-WFASDCNBSA-N 244.382 3.894 30 20 BHED C=CC[C@H](C)NCc1ccc(OCCC)cc1C 671121331 HRFRSMPNBIJBGF-AWEZNQCLSA-N 247.382 3.838 30 20 BHED CC(Cc1cccs1)=NNc1cccc(F)c1 729636833 AYVYNSBHDIOVLJ-UHFFFAOYSA-N 248.326 3.918 30 20 BHED CC[C@@H](C)C(C)=NNc1cc(F)c(F)cc1F 734302629 IJKZOFYAAZEJSQ-SSDOTTSWSA-N 244.260 3.938 30 20 BHED C[C@@H]1CCCC1=NNc1cc(F)c(F)c(F)c1 747642867 WIVTYXGWLKFCDI-SSDOTTSWSA-N 242.244 3.692 30 20 BHED CCCNN=C(C)c1ccccc1SCC 759653444 PIFFBULGTHFFSH-UHFFFAOYSA-N 236.384 3.522 30 20 BHED C#CCCCCN[C@H]1CCC[C@H]1c1ccccc1 773042525 WDCFYEQRVLLMFJ-IRXDYDNUSA-N 241.378 3.716 30 20 BHED C#CC[C@@H](NCCC1CCCC1)c1ccccc1 775400183 MKTOCRBZADRPOK-QGZVFWFLSA-N 241.378 3.921 30 20 BHED CCCC(CC)=NNc1ncccc1Cl 776186468 SGRPTICXYXUECW-UHFFFAOYSA-N 225.723 3.713 30 20 BHED CC1(C=NNc2ccccc2C(F)(F)F)CC1 782111687 SALXDQRTYRUXLP-UHFFFAOYSA-N 242.244 3.903 30 20 BHED C=C[C@H]1CCCCN1C(=O)CCCCCCC 785850765 AIMLWTVGIIGVPO-AWEZNQCLSA-N 237.387 3.914 30 20 BHED CC[C@H](C)CC(=O)O[C@@H](C)c1cccc(C#N)c1 791800913 KHRSJERNTAPTQJ-RYUDHWBXSA-N 245.322 3.599 30 20 BHED CC[C@H](C)CON=C1CCC[C@@H]1c1ccccn1 793159068 KTNATEIYAXBTMR-QWHCGFSZSA-N 246.354 3.768 30 20 BHED CC[C@H]1CC[C@H](C)CC1=NNc1cccc(F)n1 795006428 HXNWAFKTZIZNES-QWRGUYRKSA-N 249.333 3.835 30 20 BHED C=CCCCCCCCNC(=O)c1ccoc1C 810764801 RVRHITFVPXZCRJ-UHFFFAOYSA-N 249.354 3.844 30 20 BHED CC(C)[C@H]1CCCCC1=NOC/C=C\Cl 811670338 PUOVVYZQMJMTRU-IEIPFKKBSA-N 229.751 3.958 30 20 BHED Fc1cc(C=NOC/C=C\Cl)ccc1Cl 811671024 LSKKZSZADKNPDS-YHHAPTPFSA-N 248.084 3.582 30 20 BHED Fc1ccc(NN=C2CCCC23CCCC3)nc1 814842854 SUAGGNDJKBYVDY-UHFFFAOYSA-N 247.317 3.733 30 20 BHED CC(=NOCC(F)(F)F)[C@H]1CCCC[C@@H]1C 834965415 OYSAILGEALQLNG-WPRPVWTQSA-N 237.265 3.768 30 20 BHED CC(=NNc1ccnc(F)c1)[C@H]1CCCC[C@@H]1C 834972564 DERVQPDFISJXCW-GWCFXTLKSA-N 249.333 3.835 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc2c(c1)CCCO2 850444859 WGDVHNUFTWCPLJ-STQMWFEESA-N 245.366 3.627 30 20 BHED C=CCCC(C)(C)NC(=O)/C=C/c1ccsc1 856375481 YZICSIOYJFRBDM-VOTSOKGWSA-N 249.379 3.622 30 20 BHED CCCCCCC[C@@H](C)CNC(=O)CCC 917872413 KWRVIXKRNKMLST-CYBMUJFWSA-N 227.392 3.899 30 20 BHED C=C(C)CCC(=O)N1CCC(C2CCCC2)CC1 1121037537 LXLLVLMZRBNIIJ-UHFFFAOYSA-N 249.398 3.772 30 20 BHED CC(C)(C)ON=C/C=C/c1ccc(F)c(F)c1 1327841209 BONLWONIDWWKAW-UCHVEPNOSA-N 239.265 3.779 30 20 BHED C=C[C@@H](COC)N[C@@H](C)c1cccc(C(C)C)c1 1328716048 GEOMMOSNFHHMCF-BBRMVZONSA-N 247.382 3.662 30 20 BHED C=C(C)CCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 1346727203 XCPKAVKMZHAIIJ-CJNGLKHVSA-N 249.398 3.770 30 20 BHED CC[C@@H]1CCCC[C@@H]1CNc1ccc(C#N)cn1 1651103718 AOKLVQMIKLCHFF-ZIAGYGMSSA-N 243.354 3.582 30 20 BHED CCN(CCCC(C)(C)C#N)c1cccc(F)c1 87608656 NWTXMCIDDLRRAM-UHFFFAOYSA-N 248.345 3.982 30 20 BHED CCCCCCCCC(=O)N[C@](C)(C#N)CC 111325375 YUYIDQVCLZGSPT-AWEZNQCLSA-N 238.375 3.545 30 20 BHED C=CCN(C)[C@@H](C)c1ncc(-c2ccccc2)o1 121294563 JBBBCTJLUGHWDD-LBPRGKRZSA-N 242.322 3.520 30 20 BHED C=CCC[C@H](C)N[C@H](C)C1CCCCC1 126668860 KZVBZCBIVDQNAM-QWHCGFSZSA-N 209.377 3.900 30 20 BHED Cc1cccc(C(=O)/C=C/c2cncs2)c1C 130079372 ITUHXELRSLLWCF-VOTSOKGWSA-N 243.331 3.656 30 20 BHED C=C(C)CN[C@H](C)c1oc2ccccc2c1C 131681656 BNUHZEMOWICSJY-GFCCVEGCSA-N 229.323 3.968 30 20 BHED C=C(Cl)CN[C@H]1CCCCc2ccccc21 161728609 MKOWPWQFNWOAKI-AWEZNQCLSA-N 235.758 3.796 30 20 BHED C=CCCNCc1ccc(OC)c2ccccc12 161734800 NDLZKLNGRATXKH-UHFFFAOYSA-N 241.334 3.514 30 20 BHED C[C@H](N[C@H]1CCC(C)(C)C1)c1cccc(C#N)c1 164666500 QLAFBUYHGWPBNK-WFASDCNBSA-N 242.366 3.788 30 20 BHED C=CC[C@H](C)N[C@H](C)CCCC(F)(F)F 166697190 WJWGQODUIBZSNL-VHSXEESVSA-N 223.282 3.662 30 20 BHED C=CCCC(=O)N[C@H](C)[C@H](C)C1CCCCC1 176700712 ITNLPNMSZMOIHZ-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cccc(C)c1 189752552 YUWLZBFKJHMHIS-CQSZACIVSA-N 217.312 3.536 30 20 BHED C#CCCCCC(=O)N[C@H](C)CC1CCCCC1 193017739 QLUDJPIGAPXPRJ-CQSZACIVSA-N 249.398 3.655 30 20 BHED C=C[C@@H](Sc1ccc(C(C)C)cc1)C(=O)O 300828558 CBAIPMYXJABECC-GFCCVEGCSA-N 236.336 3.541 30 20 BHED C=CCCCCN[C@H]1CCC[C@H]1C1CC1 309007937 QOCBROMPTCAMGX-KBPBESRZSA-N 207.361 3.511 30 20 BHED C=C(CN[C@H]1CCC12CCC2)c1ccccc1 337447895 HARPWZMWXADTTR-HNNXBMFYSA-N 227.351 3.622 30 20 BHED CC(C)(C#N)CCNc1cccc(F)c1Cl 381042531 COVNGEJRBOQQRL-UHFFFAOYSA-N 240.709 3.831 30 20 BHED CCN(C[C@@H](C)C1CCCCC1)C[C@@H](C)C#N 384076488 WNTAMHQXHJIJKL-UONOGXRCSA-N 236.403 3.684 30 20 BHED C=CC[C@@H](CC)NCc1ccc2cnccc2c1 393800363 RUDJEVBNROXKTP-MRXNPFEDSA-N 240.350 3.679 30 20 BHED CCC[C@@H](NCC(C)(C)CC#N)C(C)(C)C 414174080 XTHBUHKPRFEDFA-GFCCVEGCSA-N 224.392 3.731 30 20 BHED C=CCC[C@H](NC[C@@H](C)CC(F)(F)F)C1CC1 414289907 WKKPXKHDUKZOPP-JQWIXIFHSA-N 249.320 3.909 30 20 BHED C=CCCCSCCOCC1CCC1 419403487 FATCYYNKSQIDQH-UHFFFAOYSA-N 214.374 3.503 30 20 BHED C=CCc1cccc(F)c1OCCC(C)(C)C#N 424099326 IZPQVCNXQDJASF-UHFFFAOYSA-N 247.313 3.873 30 20 BHED N#C[C@@H]1CC[C@H](Sc2ccc3c(c2)CCC3)C1 430131828 MXAOKRLJGWJUOH-RISCZKNCSA-N 243.375 3.960 30 20 BHED C[C@H]1CC(NC2CCC(C)(C#N)CC2)C[C@H](C)C1 449158975 WONGLPKWDXMDQU-NOZYUVCASA-N 248.414 3.873 30 20 BHED C=C(C)CN1CCC[C@H]1Cc1ccccc1Cl 517834427 IMDQERKOQSOZOE-AWEZNQCLSA-N 249.785 3.923 30 20 BHED C=CC[C@H](C)N[C@H]1CC(C)(C)c2ccccc21 539071145 OCEYUQVPEJSQRF-WFASDCNBSA-N 229.367 3.963 30 20 BHED C=CCC[C@H](NC1CCC(F)(F)CC1)C1CC1 540152417 FKLFPORKEWFTMJ-ZDUSSCGKSA-N 243.341 3.899 30 20 BHED C=CCC(C)(C)c1noc(C2(F)CCCC2)n1 551110526 YRCDYOSYDNUIES-UHFFFAOYSA-N 238.306 3.662 30 20 BHED C=C[C@](C)(CC)C(=O)NCCC(C)(C)C1CC1 567268087 LIXGRVUVHLOYMX-OAHLLOKOSA-N 237.387 3.531 30 20 BHED N#CCCNc1cccc(CCC(F)(F)F)c1 567378431 DBVOBHKLMKOUEK-UHFFFAOYSA-N 242.244 3.507 30 20 BHED C=C(C)CCNc1c(C)cccc1OC(F)F 573405278 XRVVKQOABSDCSJ-UHFFFAOYSA-N 241.281 3.975 30 20 BHED C=CCN(Cc1ccccc1F)[C@H]1C=CCCC1 590400312 BHVMSFWJNKEUQF-HNNXBMFYSA-N 245.341 3.922 30 20 BHED C=C(C)CN1CCC[C@@H](Cc2ccccc2)C1 592322387 CSFDHRYFXNTWFY-INIZCTEOSA-N 229.367 3.517 30 20 BHED C=CCCC(=O)OCc1cccc2ccccc12 726651570 UBXDGZFYKDHFIO-UHFFFAOYSA-N 240.302 3.849 30 20 BHED CC(C)=CCCC(C)=NNc1nc(C)cc(C)n1 749156905 AFHSCYAGDGSWBC-UHFFFAOYSA-N 246.358 3.628 30 20 BHED CC(CCc1ccccc1)=NOCC(C)C 749636341 FOVUFVJSNPJBAC-UHFFFAOYSA-N 219.328 3.668 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cc(C)c(OC)cc1C 753678102 HDSAXANBIVWDLF-UONOGXRCSA-N 247.382 3.927 30 20 BHED CC#CCCOC(=O)[C@H](CCC)c1ccccc1 760295193 KDLRNNHDHMMYIN-OAHLLOKOSA-N 244.334 3.527 30 20 BHED C#CCCCCc1nc([C@@H]2CCC[C@@H](C)C2)no1 761797287 WFDUBGUXOFUQBI-CHWSQXEVSA-N 246.354 3.709 30 20 BHED CCc1cnccc1C(=O)/C=C/c1ccsc1 766772008 NVBQLRWGTOGZFK-ONEGZZNKSA-N 243.331 3.602 30 20 BHED Cc1cccc(NN=C2CCC2(C)C)c1 788938115 AMFRYGPYFIAOEW-UHFFFAOYSA-N 202.301 3.583 30 20 BHED Cc1cccnc1NN=C1CCC(C)(C)CC1 790191462 VAUMDAYBBUJMGO-UHFFFAOYSA-N 231.343 3.758 30 20 BHED CC[C@H](C)CON=C(C)Cc1ccccc1OC 793144012 BDOMCQISMQVISN-LBPRGKRZSA-N 249.354 3.676 30 20 BHED COc1ccccc1CON=C[C@H]1CC=CCC1 799118587 MFWCCHYHSFITBR-ZDUSSCGKSA-N 245.322 3.554 30 20 BHED CC(C)C(C=NOC/C=C/Cl)C(C)C 811668569 PWRCFRKKVJGUSH-MKFKJVBQSA-N 217.740 3.670 30 20 BHED C[C@@H](C=NOCC1CC1)c1cccc(Cl)c1 814243572 DBSUGWPTZRDLNM-JTQLQIEISA-N 237.730 3.856 30 20 BHED C=CCCC(CCC)=NOCCC1CC1 814941649 PFOPQUSKSQJWFR-UHFFFAOYSA-N 209.333 3.925 30 20 BHED C=C(Cl)CS[C@@H](C)c1ncc(C)o1 853784058 WLSGOAPRIPKKAC-QMMMGPOBSA-N 217.721 3.530 30 20 BHED C=C(C)CCC(=O)N1CCc2sccc2[C@@H]1C 1120527754 VWHTYBVZYAQTIA-NSHDSACASA-N 249.379 3.550 30 20 BHED CC(C)(C)CC=NNc1ccc(C(C)(C)C)nn1 1319495271 ARHMDSAFENZLPK-UHFFFAOYSA-N 248.374 3.608 30 20 BHED CCCCCCC(=O)O[C@@H](CC#N)c1ccco1 1344936372 KVBJAIQJUMPXER-ZDUSSCGKSA-N 249.310 3.748 30 20 BHED C=C(CC)C(=O)N[C@@H](C)c1cccc(C2CC2)c1 1347134476 FXWAMBIZBDFTER-LBPRGKRZSA-N 243.350 3.707 30 20 BHED C[C@H](Sc1ccnc(C#N)c1)c1cccs1 1612023467 OLUKMVKIOXARHY-VIFPVBQESA-N 246.360 3.868 30 20 BHED C=C(Cl)CN1CC(C)(C)c2ccccc21 1644059460 YXZVVPBCVPQIPT-UHFFFAOYSA-N 221.731 3.537 30 20 BHED C#Cc1cccc(N[C@@H](C)C2CCCC2)c1 54077235 WZIALDKWNBQANH-LBPRGKRZSA-N 213.324 3.659 30 20 BHED CC(C)C[C@H](C)Nc1ccc(F)cc1C#N 82516430 YRLNSSRCENCTNZ-JTQLQIEISA-N 220.291 3.544 30 20 BHED C=CCCOc1cc(F)cc(Br)c1 87909382 KKVRSJWPVKUDFD-UHFFFAOYSA-N 245.091 3.543 30 20 BHED Cc1cccnc1CSc1ccccc1C#N 92856258 DXXWQXJJHOBAGI-UHFFFAOYSA-N 240.331 3.554 30 20 BHED CCCCCCCCCC(=O)N1CCCC1 103206635 WFSIAHMONQXMJH-UHFFFAOYSA-N 225.376 3.750 30 20 BHED CCC[C@H](NCC(C)(C)C#N)c1ccccc1 122310259 RGFCNWBOUNMLQT-AWEZNQCLSA-N 230.355 3.667 30 20 BHED C=CCC[C@@H](C)Nc1cccc(OCC)c1 126890334 LSOCOLBWLIVUKI-GFCCVEGCSA-N 219.328 3.852 30 20 BHED CCC(CC)CN(CC)c1nccc(C)c1C#N 135066816 YBXQUUNBVUSJAP-UHFFFAOYSA-N 245.370 3.524 30 20 BHED C=CCC[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 135720800 JVTJJRWUIJWPSF-CHWSQXEVSA-N 228.339 3.564 30 20 BHED CCN(C[C@H](C)C#N)[C@@H]1CCCc2ccccc21 155298791 JKBUTPQLGNNSGS-CZUORRHYSA-N 242.366 3.546 30 20 BHED CCC(CC)(CC)NCc1ccc(C#N)cc1C 165322556 VGUBBDRNEHKWCS-UHFFFAOYSA-N 244.382 3.925 30 20 BHED C[C@@H](SCc1ccon1)c1cccc(C#N)c1 190802556 BMZQTXGNEWGGME-SNVBAGLBSA-N 244.319 3.541 30 20 BHED O=C(/C=C\c1ccsc1)c1cccc(F)c1 206087811 DGYNUTKTLISIHM-PLNGDYQASA-N 232.279 3.783 30 20 BHED C=CC[C@H](C)N[C@H]1CCC[C@@H](C(C)C)C1 230997966 HROAADOLWJDUNP-MJBXVCDLSA-N 209.377 3.755 30 20 BHED C[C@@H](Cc1cccs1)Nc1cccc(C#N)c1 231829669 HDWLPOZKWSHECR-NSHDSACASA-N 242.347 3.663 30 20 BHED C[C@H](c1ccc(F)cc1)N1CCC[C@H](CC#N)C1 259819547 WHUAWZRDVRJWMC-CHWSQXEVSA-N 246.329 3.512 30 20 BHED C=CCCCNC1(C(F)F)CCCCC1 308890079 WCHFYICRKVQMPP-UHFFFAOYSA-N 217.303 3.510 30 20 BHED C=CCCc1csc(NC2CCCC2)n1 309086182 XZRFKYSHKPIWIE-UHFFFAOYSA-N 222.357 3.616 30 20 BHED C[C@@H]1CCC[C@@H](Nc2cccc(CC#N)c2)C1 313427936 NQFZUPJLRVNTRI-TZMCWYRMSA-N 228.339 3.743 30 20 BHED C=CCCS[C@H](C)c1cccc(C#N)c1 339090563 GQNZPQIMPFZMDZ-LLVKDONJSA-N 217.337 3.929 30 20 BHED C=CCCSCc1cnn(-c2ccccc2)c1 339091810 USQVIXXAIUKCHN-UHFFFAOYSA-N 244.363 3.682 30 20 BHED CC(C)(C)CC(=O)CSc1cccc(C#N)c1 344150648 WFUBYXBFYNLUOK-UHFFFAOYSA-N 247.363 3.656 30 20 BHED C[C@H](CC#N)N(C)CCCC1CCCCC1 347768850 HJUKXMOGLMOOHK-CYBMUJFWSA-N 222.376 3.581 30 20 BHED C=CCCCCCCNC(=O)c1ccccc1F 380781009 WXSZQODUAJAXFQ-UHFFFAOYSA-N 249.329 3.692 30 20 BHED C=CC[C@@H](CC)NCc1cc(C)ccc1C 390505930 XAYDFCLVZPEVHA-OAHLLOKOSA-N 217.356 3.748 30 20 BHED C=CCC(CC=C)C(=O)N(CC1CCC1)C(C)C 431550849 QTKAENRFFMYHBF-UHFFFAOYSA-N 249.398 3.792 30 20 BHED CC(C)(C)CSCc1ccccc1C#N 440585199 QRKUMRSTGDZMTG-UHFFFAOYSA-N 219.353 3.838 30 20 BHED CC(C)(CCC#N)CN[C@@H]1CCCC12CCC2 449329313 IDQQUJSJVJWDQX-CYBMUJFWSA-N 234.387 3.629 30 20 BHED C=CCC1(NC[C@H]2CCSC2)CCCCC1 449576752 UWZNBVUJZAJFRW-CYBMUJFWSA-N 239.428 3.608 30 20 BHED C=C(CC)CN[C@@H](C)c1nccc2ccccc12 453340224 CCRDDMXNDUWLAL-ZDUSSCGKSA-N 240.350 3.852 30 20 BHED C=C(C)CN1C[C@@H](C)Oc2ccc(Cl)cc21 464772828 GUJJOUGAASWKHC-SNVBAGLBSA-N 237.730 3.503 30 20 BHED C=CCCCN(C)C/C(C)=C/c1ccccc1 536678394 WLQNZNLHCQSIOX-FYWRMAATSA-N 229.367 3.988 30 20 BHED C=CCCCCN(C)[C@H](C)c1ccco1 573070667 CVEGSFDTNMMXEW-GFCCVEGCSA-N 207.317 3.629 30 20 BHED C=CC[C@@H]1CCCN(C(=O)CC(C)(C)C2CC2)C1 617778717 MTQVXMKWHWINEL-CYBMUJFWSA-N 249.398 3.627 30 20 BHED C=CC[C@@H]1CCCN(C(=O)CCC2CCCC2)C1 617789913 XSDVBVKKNUJHSO-OAHLLOKOSA-N 249.398 3.772 30 20 BHED C=CCCCNc1ccc(OCC2CC2)cc1 690116507 DIJFSZKJUALWIZ-UHFFFAOYSA-N 231.339 3.854 30 20 BHED C=CCCSCCOc1ccccc1C 740002882 RQUPNNRULHCFNU-UHFFFAOYSA-N 222.353 3.683 30 20 BHED CC(=NOCC(C)C)c1ccc(C)cc1C 749631586 LYZMZEFLENRVQF-UHFFFAOYSA-N 219.328 3.700 30 20 BHED C#CCCCN[C@H]1CCC[C@@H]1c1ccc(C)cc1 766225051 ZKKTXFNLULJSIJ-SJORKVTESA-N 241.378 3.634 30 20 BHED CON=Cc1c2ccccc2cc2ccccc12 767464883 SNYZIYZHVHJXTC-UHFFFAOYSA-N 235.286 3.973 30 20 BHED FC(F)(F)CON=CCC[C@@H]1C[C@H]2CC[C@H]1C2 768784115 LFHPUPMSGUJTTL-MXWKQRLJSA-N 249.276 3.768 30 20 BHED CC[C@H]1CCCC1=NN[C@@H]1CCCC1(C)C 782288874 SQFGWXYSJMALGT-WCQYABFASA-N 222.376 3.721 30 20 BHED C#Cc1cccc(NCc2cccc(CC)c2)c1 786762676 OAMZHEDRSGSMIN-UHFFFAOYSA-N 235.330 3.842 30 20 BHED CC[C@@H](C)NN=C1CCC(C(C)C)CC1 790184471 VYUOMIRASWDEGQ-JHJMLUEUSA-N 210.365 3.577 30 20 BHED CSCCON=C(C)[C@H](C)c1ccccc1 794572777 HSOIYLZBCXNXHK-NSHDSACASA-N 237.368 3.546 30 20 BHED CC(C)=CCSc1nc(Cl)c(C#N)s1 804671130 JQIAGFWDKWSOPK-UHFFFAOYSA-N 244.772 3.726 30 20 BHED C=CCCCCCCCNC(=O)[C@@H]1C[C@H]1C1CC1 810767411 VSGRZCGJRQKZME-LSDHHAIUSA-N 249.398 3.675 30 20 BHED CC(CCCC(C)C)=NNC[C@H]1CCSC1 811661057 XVVHWHRWLNOAAO-CYBMUJFWSA-N 242.432 3.531 30 20 BHED C#CCCCCC(=O)NC[C@H]1CCCC(C)(C)C1 837115518 BXYGMXVQUCQSNX-AWEZNQCLSA-N 249.398 3.513 30 20 BHED C=C(C)CON=C1CC(c2cccc(F)c2)C1 844618123 IKMRXNMBCCISKI-UHFFFAOYSA-N 233.286 3.652 30 20 BHED C=C[C@@H](C)ON=CC1(CCOC)CCCCC1 844624219 HBJAUDACIXCDMG-CYBMUJFWSA-N 239.359 3.550 30 20 BHED C=C[C@H](C)ON=CCc1ccc(F)cc1Cl 844626470 WEBAYDQIZCPDDY-VIFPVBQESA-N 241.693 3.599 30 20 BHED CC(C)(C)CC=NNc1ccc(Cl)cn1 853437228 GRGIFPNUMDLGQY-UHFFFAOYSA-N 225.723 3.569 30 20 BHED C#CCCCCC(=O)N1CC(C)(C)CCC1(C)C 862586531 AMANZTMFXZYBHA-UHFFFAOYSA-N 249.398 3.607 30 20 BHED CCO[C@H]1CC(=NOC(C)(C)C)C12CCCC2 1324559017 WSCSMRPUAWMDDD-LBPRGKRZSA-N 239.359 3.527 30 20 BHED Cc1cc(N[C@H](C)CCC(C)(C)C)ncc1C#N 1655154162 JBOSGKKVPJGOPE-GFCCVEGCSA-N 245.370 3.888 30 20 BHED COc1ccc(C#N)cc1NC[C@@H](C)CC(C)C 1657716912 GOXJEGIVOBRXCP-LBPRGKRZSA-N 246.354 3.661 30 20 BHED C=C(C)CN(C)Cc1csc2ccccc12 46089610 MGRXDIMDCPMMLJ-UHFFFAOYSA-N 231.364 3.909 30 20 BHED CCCC1CCN(c2ccc(C#N)cc2)CC1 50906334 ACOJCLZDLTXXJI-UHFFFAOYSA-N 228.339 3.575 30 20 BHED CCCCCCCCC(=O)NCCCC 110336381 MUSIZCPSZCPDMO-UHFFFAOYSA-N 213.365 3.653 30 20 BHED Cc1cccc(/C=C/C(=O)c2occc2C)c1 119038746 ZCQCGCCTTKTGIJ-VOTSOKGWSA-N 226.275 3.793 30 20 BHED Cc1cccc(C)c1/C=C/C(=O)c1ccco1 121343972 VNPJEJFJJRXHED-CMDGGOBGSA-N 226.275 3.793 30 20 BHED C=C(Cl)CN[C@H]1CCC[C@H]1CCCC 129757823 NJNROBZFAGZSPH-NEPJUHHUSA-N 215.768 3.687 30 20 BHED C=CCCSCC(=O)Nc1ccc(C)c(C)c1 151962542 FIVQNJOGYKXGHW-UHFFFAOYSA-N 249.379 3.551 30 20 BHED C=C[C@@H](C)NC(=O)Nc1ccccc1C(C)C 164416906 FLDWPGJUEGXLPY-LLVKDONJSA-N 232.327 3.506 30 20 BHED C=CCCCC(=O)Nc1cccc(C)c1Cl 177933261 XHSKGMAWNUNNMY-UHFFFAOYSA-N 237.730 3.943 30 20 BHED C[C@H](SCCCF)c1cccc(C#N)c1 190811599 NPTCMVSRAPXOBI-JTQLQIEISA-N 223.316 3.712 30 20 BHED Cc1ccc(F)c(N[C@H]2CCC[C@H](C#N)C2)c1 193105519 XKKHMCLBLJKEDJ-RYUDHWBXSA-N 232.302 3.628 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccccc1 196357495 GSMCIOTVJSEPSR-JSGCOSHPSA-N 203.329 3.692 30 20 BHED CCCCCCCOc1cccc(NC(C)=O)c1 205443304 BVQVDOOZOOAJSW-UHFFFAOYSA-N 249.354 3.994 30 20 BHED CCCCCCCN[C@H]1CCOC(C)(C)C1 215634470 IXQPLHISSTVZOY-ZDUSSCGKSA-N 227.392 3.504 30 20 BHED Cc1ccccc1[C@H]1CCCN1CCCCC#N 299551455 KZNSBHWSEAHODK-MRXNPFEDSA-N 242.366 3.826 30 20 BHED CCCC1(CNc2ccc(Cl)c(C#N)n2)CC1 301625670 HESRNXGDFREYBF-UHFFFAOYSA-N 249.745 3.599 30 20 BHED CCN(CCC#N)CCCC1CCCCC1 347644977 DBKFIUOUFDXORP-UHFFFAOYSA-N 222.376 3.582 30 20 BHED C=CCCCCCCNC1CC(C(F)F)C1 381609266 RMGCJPJLGJDNFZ-UHFFFAOYSA-N 231.330 3.756 30 20 BHED N#CCCS[C@@H]1CCc2ccc(Cl)cc21 413010554 GYEXCEPABAUFJX-GFCCVEGCSA-N 237.755 3.974 30 20 BHED C=CCCC(=O)COc1ccc(C)c(Cl)c1 413013322 GUSKGNUDQDJZCC-UHFFFAOYSA-N 238.714 3.563 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@]1(CC)C(C)C 424887405 FTUFGXULMSKEFC-IUODEOHRSA-N 237.387 3.530 30 20 BHED C=CC[C@H]1N(Cc2cccnc2)CCCC1(C)C 444788566 WOZNESLPDDUAED-OAHLLOKOSA-N 244.382 3.648 30 20 BHED C=CC(C)(C)CN[C@@H]1CCC[C@H]1CCCF 453310477 RDZQUJVUAVFZHD-QWHCGFSZSA-N 227.367 3.707 30 20 BHED CC#CCCN(C1CC1)[C@H]1CCc2ccccc21 462308926 AXHAPAZMEWLFIS-KRWDZBQOSA-N 239.362 3.552 30 20 BHED CC#CCCSC[C@H](C)c1ccccc1 462381069 YYSOUGWVFVHUTK-ZDUSSCGKSA-N 218.365 3.937 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 467855083 MJPURLJRZPOESK-SMSYFYOWSA-N 249.398 3.530 30 20 BHED C=C[C@@H]1CCCCN1Cc1ccc(C)cc1 489479161 KZLBTEBNFABZIR-OAHLLOKOSA-N 215.340 3.536 30 20 BHED N#Cc1ccccc1CN1CC[C@H]1c1ccccc1 505290923 SZQOCLFMSFVETF-KRWDZBQOSA-N 248.329 3.505 30 20 BHED C=CCCCCCN1CCCC[C@H]1c1cc[nH]n1 510154884 RLUFJOTZQZZVOV-HNNXBMFYSA-N 247.386 3.683 30 20 BHED C=CCN1Cc2ccccc2[C@@H](c2ccccc2)C1 519968693 WUWKPWMAOFMQDG-GOSISDBHSA-N 249.357 3.820 30 20 BHED CC#CCN(C1CC1)[C@@H](C)c1ccccc1Cl 525633126 LXQXMVCTJXOELU-LBPRGKRZSA-N 247.769 3.889 30 20 BHED CC(C)(C)c1ccc(Cn2ccc(C#N)c2)cc1 533679949 IARSHHPOLXSISH-UHFFFAOYSA-N 238.334 3.706 30 20 BHED C=CCOc1ccccc1CN[C@@H]1CC[C@@H]1CC 554361131 RDDGRSSCEXDZBU-DZGCQCFKSA-N 245.366 3.530 30 20 BHED C=CCCCCSC[C@@H]1C[C@H]2CC[C@H]1O2 565763924 UVJYRGZAVJYTLN-YNEHKIRRSA-N 226.385 3.643 30 20 BHED C=CCOCCSC[C@H](C)c1ccccc1 590128540 OEYAEVYJYZWFBV-ZDUSSCGKSA-N 236.380 3.726 30 20 BHED CC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)C1CC1 595079022 CCBHURJSQXJOHJ-MEBBXXQBSA-N 246.329 3.537 30 20 BHED C=CCC(C)(C)c1noc([C@H](C)c2ccco2)n1 645629014 BEBICKVBKCURIL-SNVBAGLBSA-N 246.310 3.668 30 20 BHED CCC#C[C@@H](C)Sc1ccccc1OC 677132845 UWPUWPPAYIKPRP-LLVKDONJSA-N 220.337 3.589 30 20 BHED CC(=NNC1CCCC1)c1cc(C)c(C)cc1C 727651800 ATCVNKJYEFBNSF-UHFFFAOYSA-N 244.382 3.868 30 20 BHED CON=C(Cc1cccc(Cl)c1)CC(C)C 728157116 UWYODTTYHMBXMS-UHFFFAOYSA-N 239.746 3.931 30 20 BHED C=C(C)CCOC(=O)CCCC1CCCC1 744303163 PDWWAUHQIGJONN-UHFFFAOYSA-N 224.344 3.856 30 20 BHED CC(CCCC(C)C)=NO[C@@H]1CCCCO1 755817303 YUQJEHDVNKYSKG-CYBMUJFWSA-N 227.348 3.732 30 20 BHED C[C@H]1CC(C)(C)CCC1=NNc1cccc(F)n1 795006580 DHBOYNXDLOESAI-JTQLQIEISA-N 249.333 3.835 30 20 BHED CC[C@@H]1CC[C@H]1Nc1ccccc1O[C@H](C)C#N 806158354 LBORLPQZUROIGQ-JHJVBQTASA-N 244.338 3.578 30 20 BHED C=CCCCCOC(=O)c1cccn1C(C)C 811010017 FVCQSFWERAJSRO-UHFFFAOYSA-N 235.327 3.582 30 20 BHED C=CCCCCCCN[C@H](C)[C@]1(C)CCCO1 815625722 KWBKMFHYDABDTN-CABCVRRESA-N 239.403 3.670 30 20 BHED C=C(CC)CN[C@H](C)c1cc(Cl)ccc1O 834903471 PQUOPDCSTHXGOU-SNVBAGLBSA-N 239.746 3.662 30 20 BHED C=C[C@H](C)ON=C(C)[C@@H](C)c1ccccc1 844621538 IZPIKGXJVBNVQT-NWDGAFQWSA-N 217.312 3.757 30 20 BHED CC(CCOCc1ccccc1)=NOC1CCC1 872377377 ZWTBJLLBTXXNNX-UHFFFAOYSA-N 247.338 3.538 30 20 BHED C=CCN(C(=O)C[C@H]1CCCC[C@@H]1C)C(C)C 920476865 ZICNVDMUPFCYNB-UONOGXRCSA-N 237.387 3.626 30 20 BHED CC(C)Oc1cccc(C=NOC(C)(C)C)c1 1341306873 CCBBWXPNSVBXIA-UHFFFAOYSA-N 235.327 3.623 30 20 BHED C=C[C@H](CC)CC(=O)O[C@H](C)c1cnccc1C 1344595558 NXTQEZKDEBAKBV-CHWSQXEVSA-N 247.338 3.597 30 20 BHED C[C@@H](C#N)N(CCC1C[C@H](C)C[C@@H](C)C1)C1CC1 1647257339 LFHCYJDQHNIQIZ-MCIONIFRSA-N 248.414 3.825 30 20 BHED CC(C)c1cccc(Nc2ncccc2C#N)c1 20305739 KYVFTSJHTVBFPN-UHFFFAOYSA-N 237.306 3.820 30 20 BHED CCCCCCCN[C@@H](C)c1ccncc1 59090583 FDBUNQVYTSVMFP-ZDUSSCGKSA-N 220.360 3.703 30 20 BHED O=CCCCc1c(Cl)cccc1Cl 70738955 CJPBMWZTHGTYQF-UHFFFAOYSA-N 217.095 3.515 30 20 BHED CC[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2)C1 71105793 QUNYYSAAGJTOPH-SWLSCSKDSA-N 228.339 3.939 30 20 BHED Cc1ccc([C@H](C)NCC(C)(C)C#N)cc1C 122228824 QGULXPXGVMBCOJ-ZDUSSCGKSA-N 230.355 3.504 30 20 BHED C=CCC[C@H](C)N[C@@H](C)CCc1ccco1 126723195 VCFJDASXQBTGJV-STQMWFEESA-N 221.344 3.545 30 20 BHED C=CCC(CC=C)C(=O)N1CC[C@@H]2CCCC[C@@H]21 128996878 FTNPSCQTYGRZJE-ZFWWWQNUSA-N 247.382 3.546 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc(Cl)s1 157231517 YYAZLJWXMUIFMV-SFYZADRCSA-N 215.749 3.627 30 20 BHED Cc1ccc(C)c(NCc2ccc(C#N)s2)c1 157460388 OEJGILCHJBTYNP-UHFFFAOYSA-N 242.347 3.849 30 20 BHED Cc1cccc(CC[C@@H](C)NCCCCC#N)c1 178644696 PDTITXUKPGOMOO-OAHLLOKOSA-N 244.382 3.600 30 20 BHED CC1(C)C[C@H]1CNc1ccc(C#N)c(Cl)c1 226530736 AROJVQJRWHDBCV-JTQLQIEISA-N 234.730 3.670 30 20 BHED CC[C@H](C)[C@H](C)Nc1cc(F)cc(C#N)c1 227610323 FWUUOVHMDFBGHB-UWVGGRQHSA-N 220.291 3.544 30 20 BHED Oc1cccc(C=Nc2ccccc2Cl)c1O 252463039 YIHJXXDTCOFZGJ-UHFFFAOYSA-N 247.681 3.502 30 20 BHED N#C[C@@H]1CC[C@H](Sc2ccccc2F)C1 278510247 DYZTWJWUVZSSCS-ZJUUUORDSA-N 221.300 3.610 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccsc1 281461031 DUXOALNYEHRTDA-PWSUYJOCSA-N 209.358 3.753 30 20 BHED C=CCCCCN[C@H](C)Cc1ccsc1 309017266 VACXTYSYCBLXPB-GFCCVEGCSA-N 223.385 3.625 30 20 BHED N#Cc1ccc(SCCF)cc1C(F)(F)F 340709776 XCDYBGMHMWUVDK-UHFFFAOYSA-N 249.232 3.639 30 20 BHED C=C(CC)CN(C)[C@@H]1CC[C@H](SCC)C1 358498759 MWGAHHXBAJSSOZ-OLZOCXBDSA-N 227.417 3.559 30 20 BHED C=CCOc1ccccc1CN[C@@H](C)C1(C)CC1 361333304 AZPPOAFFXKQAHB-ZDUSSCGKSA-N 245.366 3.530 30 20 BHED C[C@@H](SCC1(C#N)CCC1)c1cccnc1 419480016 UMENYYIQIWLROY-LLVKDONJSA-N 232.352 3.570 30 20 BHED CC(C)CCCS[C@@H]1CC[C@@H](C#N)C1 450910216 VECMYJQKWWEJJB-VXGBXAGGSA-N 211.374 3.848 30 20 BHED N#CCN1CC2(CCCCC2)[C@H]1c1ccccc1 459732422 DKNRMLWLQVPRSS-OAHLLOKOSA-N 240.350 3.517 30 20 BHED C=C(CC)CN(C)CCCc1ccc(OC)cc1 539105165 OGJMKPMOMWUCRF-UHFFFAOYSA-N 247.382 3.526 30 20 BHED C=C(C)CCN1Cc2ccccc2OC(C)(C)C1 576785134 MAHXUXAWSXFUGQ-UHFFFAOYSA-N 245.366 3.626 30 20 BHED CSCc1cccc(NC[C@@H](C)CCC#N)c1 602496150 PGWJJARZABFENS-LBPRGKRZSA-N 248.395 3.901 30 20 BHED CCC[C@H]1CCCCN1C[C@H](C)CCC#N 602613107 OXZNMLGALXYNHZ-KGLIPLIRSA-N 222.376 3.581 30 20 BHED C(/C=C\c1ccccc1)=NOCc1ccccc1 606510560 YEIYKGLXVNFERV-FOVKKDFOSA-N 237.302 3.902 30 20 BHED C=CC[C@H](C)[C@@H](C)NCC(=C)c1ccccc1 675783389 HENMWPPEZNXODF-DZGCQCFKSA-N 229.367 3.890 30 20 BHED C#CCCCNc1cc2ccccc2c(Cl)n1 742423305 NVLOIFLTQLKHNT-UHFFFAOYSA-N 244.725 3.714 30 20 BHED CCC(Cc1ccccc1)=NOCC(F)(F)F 764835842 OMTOMCCMNHMQOR-UHFFFAOYSA-N 245.244 3.574 30 20 BHED C#CCCCCNC[C@@H](CC)c1ccccc1 767372342 BHKBTDZXRVCCRO-OAHLLOKOSA-N 229.367 3.573 30 20 BHED CCC(CC)NN=C1CCC[C@@H](C)[C@H]1C 781127743 QFRGSIAXOQNAIA-GHMZBOCLSA-N 210.365 3.577 30 20 BHED CCCCCC(C)=NN1Cc2ccccc2C1=O 781597312 OYMXQRNJRQCZAO-UHFFFAOYSA-N 244.338 3.599 30 20 BHED Clc1ccccc1C=NNC1CCCCC1 786043396 NSPVKJBXZRCWRL-UHFFFAOYSA-N 236.746 3.596 30 20 BHED C[C@@H](NN=C1CCCCC1(C)C)C(C)(C)C 793115816 PDICIVNRGACPAF-LLVKDONJSA-N 224.392 3.967 30 20 BHED Clc1cccc(NN=CC2CCCCC2)n1 793163225 ZTZFJVIRINQDPN-UHFFFAOYSA-N 237.734 3.713 30 20 BHED FCC[C@@H]1CCCC1=NOC1CCCCC1 794930954 NESDYXXRVXKPNV-NSHDSACASA-N 227.323 3.851 30 20 BHED CCC(=NOC1CCC1)c1cc(C)ccc1OC 812235980 FLKBDTRDNHUZEX-UHFFFAOYSA-N 247.338 3.687 30 20 BHED Cc1cnc(/C=C2\CCCC(C)(C)C2=O)s1 834429990 CBESKRYNVKSEAG-JXMROGBWSA-N 235.352 3.614 30 20 BHED CCC[C@@H](CC(C)C)C(=O)OCCCCC#N 835159096 DFICDHWFXKBREJ-ZDUSSCGKSA-N 239.359 3.686 30 20 BHED C=C(C)CCNC(=S)Nc1ccc(C)cc1C 840791283 DEJTZUNXQOIQND-UHFFFAOYSA-N 248.395 3.556 30 20 BHED CCC(=NNc1ccc(OC)cc1)[C@H]1C[C@@H]1C 841634535 YUQICEVUOHZQLN-GWCFXTLKSA-N 232.327 3.529 30 20 BHED CCCON=C[C@@H](C)c1cccc(Cl)c1 842554720 QYDZXRXWIFLXLN-SNVBAGLBSA-N 225.719 3.856 30 20 BHED C=CCN(C(=O)/C(C)=C(/C)CC)C(C)(C)C 857651017 OJVWHYXSGUDPCX-QXMHVHEDSA-N 223.360 3.546 30 20 BHED C=C(Cl)CN1CCC[C@H]1c1ccc(C)cc1 913391801 CPJXPDNSAIXPEU-AWEZNQCLSA-N 235.758 3.884 30 20 BHED C=C(C)CCC(=O)N1CCCCc2sccc21 1338960230 QMPGYBYXUJDJBG-UHFFFAOYSA-N 249.379 3.774 30 20 BHED CC[C@H](C)[C@@H]1CCCCN1C[C@@H](C)CCC#N 1651903427 WFENSHIOOHIYCC-KKUMJFAQSA-N 236.403 3.827 30 20 BHED CC#CCCCC(=O)Nc1cccc(Cl)c1C 6262175 PZZSWAYBJYQRAU-UHFFFAOYSA-N 249.741 3.781 30 20 BHED CC(C)c1ccc(CNCCCCC#N)cc1 45044522 AKIBDQZQHISTIV-UHFFFAOYSA-N 230.355 3.593 30 20 BHED CCCCCCCNCc1ccc(Cl)nc1 106224893 JOHPODBMPPDQOR-UHFFFAOYSA-N 240.778 3.795 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 119318156 PRPBAZQXDKAJBC-UWVGGRQHSA-N 243.272 3.931 30 20 BHED C=CCSCCN[C@@H](C)c1ccc(C)s1 129359657 QGDREWDEAJANMV-NSHDSACASA-N 241.425 3.626 30 20 BHED C=CCCN[C@@H](C)c1ccc(C)cc1C 162195370 HYESGBYQVOTTFN-ZDUSSCGKSA-N 203.329 3.530 30 20 BHED C=CC[C@@H](C)[C@H](C)Nc1ccc(CC#N)cc1 184745837 UIHKMQAWVBQVJO-OLZOCXBDSA-N 228.339 3.765 30 20 BHED COc1ccc(C)cc1CS[C@H](C)CCC#N 188324426 VJXUYWDSTDCLBX-GFCCVEGCSA-N 249.379 3.929 30 20 BHED CCCCCN(CCC)Cc1ccc(C#N)cc1 303661218 DKALVVKTMSPMDM-UHFFFAOYSA-N 244.382 3.960 30 20 BHED CCCCCCCNCc1ncc(Cl)s1 309093857 DCLRVERPLWXWAL-UHFFFAOYSA-N 246.807 3.857 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H](CC)CC(F)(F)F 309716588 TYOQXHSPXUGWKJ-GARJFASQSA-N 237.309 3.908 30 20 BHED C=CCCN(Cc1ccc(C)s1)C(C)C 352255465 GMAHNRVGGMZWAQ-UHFFFAOYSA-N 223.385 3.843 30 20 BHED C=CC[C@@H](C)N[C@@H](CC)c1cc(F)ccc1F 358048769 QHFRGBRWYOVGGD-YGRLFVJLSA-N 239.309 3.970 30 20 BHED C=CCC[C@@H](CC)NCCCC(F)(F)F 379982075 HZAGOZMLMDOVQU-SNVBAGLBSA-N 223.282 3.663 30 20 BHED C[C@H]1CCN(CCC2(C#N)CCCCC2)[C@H]1C 411329298 KNKVDCLWUJFNNQ-KBPBESRZSA-N 234.387 3.581 30 20 BHED CC(C)(C)c1ccc(C(C)(C)NCCC#N)cc1 411460498 HOKREYDMHWBZNJ-UHFFFAOYSA-N 244.382 3.722 30 20 BHED CC[C@H](NCC(C)(C)CC#N)c1cccc(F)c1 414159617 BQAJCGPFCVWOGN-AWEZNQCLSA-N 248.345 3.806 30 20 BHED C[C@H](C1CCCCC1)N(C)CC1(C#N)CCC1 450942989 VRMXAFHWKIGTCH-CYBMUJFWSA-N 234.387 3.581 30 20 BHED CC[C@@]1(C(C)C)C[C@H]1NCc1cc(C#N)cs1 453602932 AGHAJNXKHQKVQS-KGLIPLIRSA-N 248.395 3.534 30 20 BHED C=CCC(CC=C)C(=O)N(CC)C[C@@H](C)CC 467517487 VLGYJVGXOYCJTH-ZDUSSCGKSA-N 237.387 3.649 30 20 BHED CC(C)CCN(CCC#N)CCC1CCCC1 484901931 VPNWQLSUTQIWKG-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C=C[C@H]1CCCCN1Cc1cc(F)ccc1F 489465840 VPWVYQYNPUPQLK-ZDUSSCGKSA-N 237.293 3.505 30 20 BHED C=CCCCCCN(C)C(=O)C(C)(C)C1CC1 498573287 DYBOGIQSSPDBFD-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=C(C)CCN1CCSC(CC)(CC)C1 509608340 KVUGQDYITUAUHO-UHFFFAOYSA-N 227.417 3.560 30 20 BHED CCC[C@H](CN(C)C[C@H](C)C#N)c1ccccc1 539409209 VVSYHUSKXGXVMD-GDBMZVCRSA-N 244.382 3.662 30 20 BHED C[C@H]1CN(CCCC(C)(C)C#N)CC(C)(C)C1 544115163 XZCOKIDNEDGUBL-CYBMUJFWSA-N 236.403 3.684 30 20 BHED C=CCCCC[C@H](C)NCc1cccc(O)c1 552599570 IBJBVVCXFPJIDI-ZDUSSCGKSA-N 233.355 3.617 30 20 BHED C=C(C)CN1CCCC[C@H]1c1ccccc1 568340065 UAQKIHUPFVEBLU-HNNXBMFYSA-N 215.340 3.790 30 20 BHED C=C1CCN([C@H]2CCCc3ccccc32)CC1 594733835 MZHOEJMOTVADPC-INIZCTEOSA-N 227.351 3.716 30 20 BHED C=C(CNC(=O)C(C)(C)CCC)c1ccccc1 650033334 UOCANMQBGAPPLU-UHFFFAOYSA-N 245.366 3.642 30 20 BHED CC#CCCCC(=O)N[C@@H](CC)C1CCCCC1 680997392 SMRZEWOICSQPAJ-HNNXBMFYSA-N 249.398 3.655 30 20 BHED C#C[C@@H](NC(=O)CCCC1CCCCC1)C(C)C 700579640 JXTIENLZKOYSOI-OAHLLOKOSA-N 249.398 3.511 30 20 BHED Fc1ccc(NN=C2CCCCCCC2)nc1 731319728 YENGJVWXGIIZTA-UHFFFAOYSA-N 235.306 3.733 30 20 BHED C=CCCCOC(=O)C[C@H](C)CC(C)C 735533071 KRVMPFTYSFMWBW-GFCCVEGCSA-N 212.333 3.568 30 20 BHED C#CCCCNc1nc(-c2ccccc2)cs1 756967853 GNZMEAXBTWUZTL-UHFFFAOYSA-N 242.347 3.635 30 20 BHED C#CCCCN(CC)[C@@H](CC)c1ccccc1 766896050 OLQKFKDIDLYGGH-INIZCTEOSA-N 229.367 3.873 30 20 BHED CCCCCC(C)=NN[C@@H]1C[C@H]2CC[C@H]1C2 774597582 RRDQDFLSUPYUCL-MELADBBJSA-N 222.376 3.721 30 20 BHED C#CCCCN[C@H](c1ccc(C)cc1)C1CCC1 779025739 DKTDGCZJTPQMQF-KRWDZBQOSA-N 241.378 3.839 30 20 BHED C#CCCCCCC(=O)N(C1CC1)[C@@H](C)C(C)C 779832708 UMZXMQRZTLOKLV-AWEZNQCLSA-N 249.398 3.606 30 20 BHED CCC(C=NN[C@@H]1CCCC1(C)C)CC 782300985 NHGUATBNQZETDC-GFCCVEGCSA-N 210.365 3.577 30 20 BHED CC[C@H](C)CON=Cc1ccnc2ccccc12 793145393 JAXWWMUQBWNYEA-LBPRGKRZSA-N 242.322 3.631 30 20 BHED C[C@@H]1CC[C@H](C=NNc2ccc(F)cc2F)C1 800804315 WKTKHAGIGZWVNC-ZJUUUORDSA-N 238.281 3.799 30 20 BHED CC(C)[C@H]1CCCC1=NOC/C=C/Cl 811670023 MFPBJTLPNYXLCT-ZGEMEOINSA-N 215.724 3.568 30 20 BHED CC[C@H]1CC[C@H](C)CC1=NOCC1CC1 814244015 XQWBVQQHNGTRNE-JQWIXIFHSA-N 209.333 3.615 30 20 BHED CC(C)CCC=NNc1oc(C(C)C)nc1C#N 814820444 CURRLJOOUHFAFE-UHFFFAOYSA-N 248.330 3.504 30 20 BHED C=CCCCC(=O)N1CCCC(CC)(CC)C1 855822109 ZNJODWCOYQMBJI-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(O)c(C(C)C)c1 882654430 UYYKQJOQJPJZHR-UHFFFAOYSA-N 247.338 3.666 30 20 BHED CC[C@H](C)CN(C)CCCCC1(C#N)CCC1 929620579 YGHSTDFLGBFVNW-AWEZNQCLSA-N 236.403 3.828 30 20 BHED C=C[C@H](CC)CC(=O)Nc1cccc2cc[nH]c12 935454511 AKXKRIDREBUJPY-LLVKDONJSA-N 242.322 3.709 30 20 BHED COc1cc(C)ccc1C(C)=NOC(C)(C)C 1319582819 GJOAXYRDWYFMKG-UHFFFAOYSA-N 235.327 3.543 30 20 BHED C[C@H]1C[C@@H](C)C[C@H](CCN(C2CC2)[C@H](C)C#N)C1 1647257337 LFHCYJDQHNIQIZ-BARDWOONSA-N 248.414 3.825 30 20 BHED CCc1cccc(OCc2cccc(C#N)c2)c1 19806574 JFRZPDIGCOPNEH-UHFFFAOYSA-N 237.302 3.700 30 20 BHED N#CCc1ccc(NCc2ccc(Cl)o2)cc1 37509102 LLBLSLFYWVVXBG-UHFFFAOYSA-N 246.697 3.611 30 20 BHED C=C(CC)CN[C@H]1CCCc2sccc21 85058457 WXCBXSZMMVWPRG-LBPRGKRZSA-N 221.369 3.681 30 20 BHED C=CCCC(=O)N1CCC[C@@H]1CC1CCCCC1 102343581 DYBASKJMAGHJIB-OAHLLOKOSA-N 249.398 3.914 30 20 BHED C=CCN(CC1CCCCC1)C(=O)C(C)(C)C 112184185 AWJMQDZXINDVHS-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CC[C@H](C)N[C@@H](c1ccccc1)C1CC1 162083477 ITPPURMVRJOPHS-WFASDCNBSA-N 215.340 3.692 30 20 BHED CCc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1 274574398 BHUGOTIGLGWJCK-BJJXKVORSA-N 242.366 3.592 30 20 BHED CCCCCCCNCC1(OC)CCCC1 381604809 PNMYGJQAJMYXNJ-UHFFFAOYSA-N 227.392 3.506 30 20 BHED C=CCCCCCN(C)C(=O)c1ccoc1CC 430688307 WLCZMRDYLKRJJG-UHFFFAOYSA-N 249.354 3.660 30 20 BHED N#Cc1cccc(Cl)c1N1[C@H]2CCC[C@H]1CC2 439611774 PXHLPRWXFGUJBI-RYUDHWBXSA-N 246.741 3.733 30 20 BHED C=C(C)CCNC(=O)c1cccc(C2CCC2)c1 452716377 HGNNAHNINQRFSF-UHFFFAOYSA-N 243.350 3.650 30 20 BHED C=CCCc1noc([C@@H]2CC23CCCCC3)n1 453225053 DASUXVBGFZRILZ-NSHDSACASA-N 232.327 3.626 30 20 BHED C=CCCCC(=O)N(CCCC)[C@H](C)CC 480868992 JHXJWMKNTLSNQX-CYBMUJFWSA-N 225.376 3.770 30 20 BHED N#CCCCCS[C@@H]1CCc2ccccc2C1 567628811 ZUBHNFRXQGUEBZ-OAHLLOKOSA-N 245.391 3.971 30 20 BHED C=CCC1(NC(=O)[C@@H](C)CCCC)CCCC1 619111090 UVVMIVVLWMBANF-ZDUSSCGKSA-N 237.387 3.818 30 20 BHED C=CCCCN1CC[C@@H]1c1ccc(F)cc1 661510788 IIPZFQJCSSCEKE-CQSZACIVSA-N 219.303 3.539 30 20 BHED C[C@H](N[C@H](C)CCC#N)C1CCCCCC1 695813134 RVHIPHWURYSYRD-OLZOCXBDSA-N 222.376 3.627 30 20 BHED C=CC[C@@H](C)NC(=S)Nc1cc(C)ccc1C 734988077 VXZPPXVUVFEOAL-GFCCVEGCSA-N 248.395 3.554 30 20 BHED Cc1ccc2[nH]cc(C=NNc3ccccc3)c2c1 735609468 UHJPFDMPFZXRPD-UHFFFAOYSA-N 249.317 3.922 30 20 BHED CCCCNN=C1CC(c2ccccc2C)C1 743438128 RCVLXVBHBOYPAF-UHFFFAOYSA-N 230.355 3.618 30 20 BHED C=CC[C@H](N[C@@H](C)c1ccoc1)c1ccncc1 766022872 YEUOIYXUQDMBDW-WFASDCNBSA-N 242.322 3.643 30 20 BHED C#C[C@@H](C)NC(=O)[C@@](C)(CC)CCCCCC 772985201 PMPJBYXEKWWUBF-HIFRSBDPSA-N 237.387 3.511 30 20 BHED CC(=NOC1CCCC1)c1ccc(F)c(F)c1 774603475 VCNFZSQHLSNIRJ-UHFFFAOYSA-N 239.265 3.648 30 20 BHED CC(=NOC1CCCCC1)c1scnc1C 777459338 OAQZJRKDNCABAM-UHFFFAOYSA-N 238.356 3.525 30 20 BHED C=CCCCOC(=O)[C@H](CC=C)c1ccccc1 778418792 OBOLUSREPXOHNT-OAHLLOKOSA-N 244.334 3.856 30 20 BHED COc1cccc(NN=C[C@H]2CCCC[C@H]2C)c1 783816373 OQAPXBVEGNOIGE-CHWSQXEVSA-N 246.354 3.919 30 20 BHED C#CCCOc1ccc(SC(F)(F)F)cc1 795247648 VMVMZXUWVQJLRF-UHFFFAOYSA-N 246.253 3.701 30 20 BHED C=CCCCCCCCNC(=O)C[C@H]1C=CCC1 811591061 XPHHAUXFSUUNIC-HNNXBMFYSA-N 249.398 3.986 30 20 BHED C[C@@H]1CCC(=NNc2cccc(F)c2F)C1 814859519 RLACQZXDTOGYDK-MRVPVSSYSA-N 224.254 3.553 30 20 BHED C=CC(C)(C)CC(=O)N(C)Cc1ccc(C)cc1 877959488 NAZLQCXKROSJNU-UHFFFAOYSA-N 245.366 3.556 30 20 BHED C=C1CCC(C(=O)N2[C@H]3CC[C@H]2CC(C)C3)CC1 893041168 KHIGGSUBJBMORA-GJZGRUSLSA-N 247.382 3.522 30 20 BHED CCCCNN=C(C)c1ccc(OC(C)C)cc1 915965943 HMMJPBOYNLKRNL-UHFFFAOYSA-N 248.370 3.588 30 20 BHED C=C(Cl)COC(=O)CCCCCCC 919222267 SUBIYTURWAILGJ-UHFFFAOYSA-N 218.724 3.643 30 20 BHED N#CC1(CCCCN2[C@H]3CCC[C@H]2CC3)CCC1 929813843 GXRFTFCYRWNYFN-GJZGRUSLSA-N 246.398 3.867 30 20 BHED CC(=NOC(C)(C)C)c1ccc(C)cc1 1116409529 ZRZXVVDILCKNDJ-UHFFFAOYSA-N 205.301 3.534 30 20 BHED CC(C)(C)ON=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 1336205144 LBORVFIQIBBPLG-RHYQMDGZSA-N 221.344 3.614 30 20 BHED CC1(C)CC(=NOC(C)(C)C)c2ccoc2C1 1341308512 KHNJSEYCLXVPPB-UHFFFAOYSA-N 235.327 3.771 30 20 BHED Cc1cc(N[C@@H](C)C2CCCCC2)ncc1C#N 1612516429 RBBQFRWZMYNCDP-LBPRGKRZSA-N 243.354 3.642 30 20 BHED N#Cc1ccc(CNC2CCCCCC2)c(F)c1 37389415 FPGAOOGBRVAKSG-UHFFFAOYSA-N 246.329 3.510 30 20 BHED C=C(Br)CNC1CCCCCCC1 37680981 PADPZOVXSCVECG-UHFFFAOYSA-N 246.192 3.598 30 20 BHED C=C(C)COC(=O)c1ccc2[nH]c(C)c(C)c2c1 45546740 YWVNAYSCHRUYSS-UHFFFAOYSA-N 243.306 3.518 30 20 BHED Cc1cccc(C)c1NCc1ccccc1C#N 49800019 LLNNOQILNZJSTD-UHFFFAOYSA-N 236.318 3.787 30 20 BHED N#CCCCSCc1cccc(Cl)c1 58263046 GJYVGLGYASCTLO-UHFFFAOYSA-N 225.744 3.877 30 20 BHED C[C@H]1CCCC[C@@H]1N(C)CCCC(C)(C)C#N 87608627 AJDPELFNPHZSKA-KBPBESRZSA-N 236.403 3.827 30 20 BHED CC#CCSc1ncc(-c2ccc(F)cc2)o1 97599471 UHMXRGKBSVGDJU-UHFFFAOYSA-N 247.294 3.596 30 20 BHED N#Cc1cccc(Cc2nccc3ccccc23)c1 98179207 MXVRQLXYEWPQRA-UHFFFAOYSA-N 244.297 3.697 30 20 BHED CC(C)CCN(CCCCC#N)C1CCCC1 112204721 DLGTUIOKYWXMEB-UHFFFAOYSA-N 236.403 3.971 30 20 BHED CCCCCCC[S@](=O)c1ccc(F)cc1 113242671 OKRYPRCTQBRSGF-MRXNPFEDSA-N 242.359 3.904 30 20 BHED C=CCC[C@@H](NCc1cccc(OC)c1)C1CC1 119880506 SHAOOVACCNMBIA-MRXNPFEDSA-N 245.366 3.530 30 20 BHED C=CC[C@H](C)NCc1ccc(N(CC)CC)cc1 134749823 MFYBYVISFRVRFS-AWEZNQCLSA-N 246.398 3.587 30 20 BHED CCCCCCCC(=O)CCCCC(=O)O 138457918 IAHLPLMHFZESFF-UHFFFAOYSA-N 228.332 3.561 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CCCCC1(C)C 153187733 PCMFOTPYKNFTJF-CQSZACIVSA-N 249.398 3.840 30 20 BHED C=CC[C@H](C)N[C@H]1CCSc2ccccc21 161639603 GUVFHDFTFLDOFH-AAEUAGOBSA-N 233.380 3.778 30 20 BHED Cc1cc(F)ccc1COc1cccc(C#N)c1 167976400 UFWBIKJVAQWZKS-UHFFFAOYSA-N 241.265 3.585 30 20 BHED CN(CCCCC#N)c1ccc(F)c(Cl)c1 181509869 RVHCDHYVOUGZIH-UHFFFAOYSA-N 240.709 3.609 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)c1ccccc1 193024265 KKVUKVHROUAMSZ-XJKSGUPXSA-N 245.366 3.808 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1csc(C)c1 294095291 BLMUSMZXXQBNIC-KOLCDFICSA-N 209.358 3.672 30 20 BHED C=C(CC)CSC[C@H](C)C(F)(F)F 308290494 GUGSXPSANYWJQQ-QMMMGPOBSA-N 212.280 3.884 30 20 BHED C=CCC[C@H](NCCCC(F)(F)F)C1CC1 309549956 FNNBHLXQSSGAAH-NSHDSACASA-N 235.293 3.663 30 20 BHED C[C@@H](SCC1(C#N)CC1)c1ccc(F)cc1 344485826 QTAFCAHEZGBVDR-SNVBAGLBSA-N 235.327 3.924 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)CC1 361689369 KIOCWKXNVXCIAT-MGPQQGTHSA-N 249.398 3.674 30 20 BHED C=CC(C)(C)CN[C@H](C)c1cccs1 385054852 RWUDJJZRUCWBCE-SNVBAGLBSA-N 209.358 3.611 30 20 BHED C=CCC[C@@H](C)NC(C1CCC1)C1CCC1 390672947 WCNDPILIAOWNRU-GFCCVEGCSA-N 221.388 3.900 30 20 BHED CCCN(Cc1ccc(F)cc1)[C@@H](C)CCC#N 411203340 QZODCTYIRXOINR-ZDUSSCGKSA-N 248.345 3.730 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc(OC)cc1C 414105773 WSSFVWMHRVSIIF-STQMWFEESA-N 233.355 3.619 30 20 BHED C=CCN1CCc2cc(Cl)cc(Cl)c2C1 437517551 RERGKNVABYIJAA-UHFFFAOYSA-N 242.149 3.538 30 20 BHED C=CCC[C@@H](NCc1ccccc1C)C1CC1 439077523 MPWJLGBITAOTGO-MRXNPFEDSA-N 229.367 3.829 30 20 BHED C[C@@H]1CCC[C@@H](NC2CCC(C)(C#N)CC2)[C@@H]1C 449061165 HRNARLMQXUIXBA-LFOPHDTNSA-N 248.414 3.873 30 20 BHED CC(C)CCCS[C@H]1CC[C@H](C#N)C1 450910215 VECMYJQKWWEJJB-RYUDHWBXSA-N 211.374 3.848 30 20 BHED C=CCC(CC=C)C(=O)N[C@H](CC)C1CCCC1 456671501 XVKKSAIEORSSKI-OAHLLOKOSA-N 249.398 3.840 30 20 BHED CC#CCCN(CC(C)C)C(CC)CC 462316827 AZTYUTCLFOMKMJ-UHFFFAOYSA-N 209.377 3.546 30 20 BHED C=C[C@H](C)NC(=O)C[C@@H](CC)c1ccc(C)cc1 465102384 LHYOBDYAWNJRRO-UONOGXRCSA-N 245.366 3.569 30 20 BHED C=CCCCCNC(=O)C[C@H](C)c1ccccc1 471668670 SBPLROGUIACQAR-AWEZNQCLSA-N 245.366 3.653 30 20 BHED CC#CCCSCCCCC1CCOCC1 512383158 UJDIOLZRMLXJLV-UHFFFAOYSA-N 240.412 3.730 30 20 BHED C=CCCN(C)c1cccc(C(C)C)c1 525328466 ZYEPCJRJIRCBMI-UHFFFAOYSA-N 203.329 3.822 30 20 BHED N#CC1(CCn2ccnc2C2CC2)CCCCC1 530129187 GELQEUXLBIUGHE-UHFFFAOYSA-N 243.354 3.625 30 20 BHED C=CC1CCN(C/C=C\c2ccccc2)CC1 536671256 BSLNEYWEAUEJPL-TWGQIWQCSA-N 227.351 3.598 30 20 BHED C=CCCC[C@@H](C)NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 540539219 VBXYOZJNSIXFED-QPSCCSFWSA-N 249.398 3.674 30 20 BHED C=CCCCC[C@@H](C)N[C@H](C)c1cnn(CC)c1 553104002 GZSNKHODCWZSID-ZIAGYGMSSA-N 249.402 3.689 30 20 BHED C=CCC[C@@H](C)NCC1(COC)CCCCC1 576389586 BVTPFYREOVZLQY-CQSZACIVSA-N 239.403 3.528 30 20 BHED C=CCCC1(C(=O)NCCC(C)(C)C2CC2)CC1 581449887 KPIRRMBGBOHYEQ-UHFFFAOYSA-N 249.398 3.675 30 20 BHED CC(C)(CC#N)CSc1nc2ccccc2[nH]1 581560052 UAFLJKFCZXWFQU-UHFFFAOYSA-N 245.351 3.595 30 20 BHED CCC[C@@H](CC)SCc1ccc(C#N)cn1 584539929 ITQONRBTJQEKKH-CYBMUJFWSA-N 234.368 3.765 30 20 BHED N#Cc1csc(CN2C3CCCC2CCC3)c1 611274067 LPWABXDJHDQZTA-UHFFFAOYSA-N 246.379 3.527 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CS[C@@H](C)C1 658033667 HRBMTGHLLXTRIL-CRWXNKLISA-N 239.428 3.605 30 20 BHED C=CCCOc1ccc(C(F)(F)F)cc1F 685585885 QJRMSXSEUYEIFX-UHFFFAOYSA-N 234.192 3.799 30 20 BHED CCC(CC)NN=Cc1c[nH]c2ccc(C)cc12 735614887 GEYLQPOFYXAWNN-UHFFFAOYSA-N 243.354 3.588 30 20 BHED CCCCC(COC)=NNc1ccc(C)cc1 737417241 YYEVDMYPZICOBJ-UHFFFAOYSA-N 234.343 3.600 30 20 BHED CCCC1CCC(C=NOCC(F)F)CC1 758899191 HDTCXOOWZATAAP-UHFFFAOYSA-N 233.302 3.860 30 20 BHED CC(=NOC1CCCCC1)c1csc(C)n1 777457610 YRDASVYNCOCNTJ-UHFFFAOYSA-N 238.356 3.525 30 20 BHED CC(=NOC1CCCCC1)c1cc(C)ccc1O 777458974 MSJBKGWQINGCMK-UHFFFAOYSA-N 247.338 3.774 30 20 BHED CCCCCCCS[C@@H]1CCCOC1 779829630 YONURTXKBRMCJS-GFCCVEGCSA-N 216.390 3.869 30 20 BHED CC(CC1CCCC1)=NNC1CCCCC1 786041118 VLXLVAUYNJCPHF-UHFFFAOYSA-N 222.376 3.865 30 20 BHED CC(C)C(C=NOCc1cccnc1)C(C)C 789033261 FPJLBWXOEYNINR-UHFFFAOYSA-N 234.343 3.512 30 20 BHED C#CCCCN(C(C)C)[C@@H](C)c1ccccc1 794683958 JPDKUKWQMOMGHP-HNNXBMFYSA-N 229.367 3.871 30 20 BHED C=CCC(C)(C)C(=O)OCc1cccc(C)c1 796463882 WNBRMHGRZGVAIT-UHFFFAOYSA-N 232.323 3.641 30 20 BHED C[C@@H]1CCC[C@@H](OC(=O)CCCCCC#N)C1 805864061 FOPSYTRKIKFQCW-CHWSQXEVSA-N 237.343 3.582 30 20 BHED C#C[C@@H](NCc1cc2ccccc2s1)C(C)C 809685435 TZQWPKVAYTUOEW-CQSZACIVSA-N 243.375 3.649 30 20 BHED C[C@H](C=NOC/C=C/Cl)c1ccccc1 811669067 BLBNZKROHBNBJF-ZUOXSJKYSA-N 223.703 3.545 30 20 BHED Fc1ccc(/C=C/C=NOC2CCC2)c(F)c1 812235360 DNALIHHDVMKXLF-YWNVTICHSA-N 237.249 3.533 30 20 BHED CCC(=NOCC1CC1)C1CCCCC1 814242214 VQRWVFRMZHVDNE-UHFFFAOYSA-N 209.333 3.759 30 20 BHED N#Cc1ccc(NN=C2CC[C@H]2C2CCC2)cc1 814803098 JRAYTMBYYAHITK-AWEZNQCLSA-N 239.322 3.536 30 20 BHED C[C@H]1CCC(=NN[C@H](C)c2ccccc2)C1 814815797 HCYSSCXHUSNLCU-NWDGAFQWSA-N 216.328 3.513 30 20 BHED C#CCON=C1CCCC[C@@H]1C1=CCCCC1 814936284 IPDCIUICNFDYTG-CQSZACIVSA-N 231.339 3.683 30 20 BHED CCCCCCCCNCc1conc1CC 815114040 MXMRUCLEUWMDJK-UHFFFAOYSA-N 238.375 3.687 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(F)cc1C 834883380 QJZHBVSJEXKUFH-LBPRGKRZSA-N 221.319 3.751 30 20 BHED CC[C@@H](C)NN=C1CCCC12CCCCC2 834971789 ATVALZVMXRYZON-GFCCVEGCSA-N 222.376 3.865 30 20 BHED CCc1cccc(C)c1NN=C[C@](C)(CC)OC 834977902 ZCGOVBGZVOFADU-HNNXBMFYSA-N 248.370 3.770 30 20 BHED CCC(=CC(=O)Nc1cc(C)cc(C#N)c1)CC 837142426 RDMMCYSSQGTLOV-UHFFFAOYSA-N 242.322 3.552 30 20 BHED C#CCCCCC(=O)N[C@@H](CCC)C(C)(C)C 1328064610 MBACVUPARDBEFI-ZDUSSCGKSA-N 237.387 3.511 30 20 BHED C=C(CC)C(=O)N[C@H](C)c1cc2ccccc2o1 1347252594 HYVCQLSXZOPAOE-LLVKDONJSA-N 243.306 3.576 30 20 BHED Cc1cc(OC[C@@H](C)CC(C)C)ccc1C#N 1613749971 KNALRFYJKWGHOA-LBPRGKRZSA-N 231.339 3.928 30 20 BHED N#Cc1ccc(CSc2cccs2)cc1 20078174 IGHSKCGYFYQOGX-UHFFFAOYSA-N 231.345 3.912 30 20 BHED C=C(C)CN(CC)c1ccc(C#N)c(Cl)c1 61850781 USXYPRWSALDBLL-UHFFFAOYSA-N 234.730 3.614 30 20 BHED N#Cc1cccc(CSCC2CCCC2)c1 62836028 TUANECQGHMXSLX-UHFFFAOYSA-N 231.364 3.982 30 20 BHED CCCCCN(CCCC#N)[C@@H](C)CCC 63614323 GKQMDNMJHZOBRM-AWEZNQCLSA-N 224.392 3.971 30 20 BHED C=C(CC)CNc1cc(OC)ccc1Cl 85058106 PTOHHQPTUJKMBY-UHFFFAOYSA-N 225.719 3.727 30 20 BHED CC(C)c1ccc(OCC2(CC#N)CC2)cc1 88257427 VIGLQNUPKOBUNH-UHFFFAOYSA-N 229.323 3.883 30 20 BHED CCC(CC)Sc1snc(Cl)c1C#N 92639320 QJRMROZPRCQMIW-UHFFFAOYSA-N 246.788 3.949 30 20 BHED C=CCN(C)[C@@H](c1ccccc1)C(C)C 112699359 PAISFFPSPFZSJS-CQSZACIVSA-N 203.329 3.502 30 20 BHED C=CCC[C@H](C)N[C@H](C)c1ccc(OC)cc1 135712731 NSFWPJIRBZHCIZ-QWHCGFSZSA-N 233.355 3.701 30 20 BHED CCN(CCCC(C)(C)C#N)[C@@H](C)C(C)C 174863762 USZZIXFEMQVHAM-ZDUSSCGKSA-N 224.392 3.683 30 20 BHED C=CCCCC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 176075514 SPVFUZQHGFDZSS-CJNGLKHVSA-N 243.350 3.562 30 20 BHED N#Cc1cc(F)cc(NC[C@@H]2C[C@H]3CC[C@H]2C3)c1 299933842 SSSSXBZAYMGUOC-DRZSPHRISA-N 244.313 3.545 30 20 BHED CN(CC(C)(C)CCC#N)[C@@H]1CCC(C)(C)C1 355581049 HJXVJTMXODAYFR-CYBMUJFWSA-N 236.403 3.827 30 20 BHED CCc1csc(SCCC(C)(C)C#N)n1 383113669 ZQQPWVPSWQPNCL-UHFFFAOYSA-N 240.397 3.737 30 20 BHED N#CCCSCc1cccc(F)c1Cl 413018552 QPXFOSYWWPVPOS-UHFFFAOYSA-N 229.707 3.626 30 20 BHED C=C(CC)CN[C@@H](C)[C@@H]1C[C@H]1c1cccs1 417354443 ZJUAFJVUEMLYOV-RWMBFGLXSA-N 235.396 3.796 30 20 BHED C=C(C)C(C)(C)c1nc(CCC(C)C)no1 424226588 XYLKNWQDTNWMJE-UHFFFAOYSA-N 222.332 3.512 30 20 BHED C[C@H](NCC(C)(C)CC#N)[C@@H]1CCCC[C@H]1C 459738038 XHUKSIRWTWEAEM-HZSPNIEDSA-N 236.403 3.731 30 20 BHED C=C(C)CN[C@H](c1ccc(F)cc1)C1CCC1 472249823 LHKIYQLMVSYTGB-HNNXBMFYSA-N 233.330 3.833 30 20 BHED C=CCCCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 479530712 WNKZPWNMNHCQMO-CJNGLKHVSA-N 249.398 3.770 30 20 BHED C=C[C@H]1CCCCN1c1ccnc2ccsc12 486469607 UXYKXRROLKPLEN-NSHDSACASA-N 244.363 3.841 30 20 BHED C=CCCCN[C@@H](c1ccc(OC)cc1)C(C)C 539244163 ULZGZIFKBMSMFT-MRXNPFEDSA-N 247.382 3.948 30 20 BHED CCC1(CC)CCCN([C@H](C)CCC#N)C1 595750902 ALQWCHCMRHPGQT-CYBMUJFWSA-N 222.376 3.581 30 20 BHED C=CCN(C[C@H](C)CCC#N)c1ccccc1 618887630 HJKWLZCCSUBEPO-CQSZACIVSA-N 228.339 3.619 30 20 BHED C=C(C)CN(CCc1ccc(F)cc1)CC(C)C 621316697 UTASRNNRJOBMQZ-UHFFFAOYSA-N 249.373 3.902 30 20 BHED C=CCCN[C@H](C)c1cc2ccc(C)cc2o1 658114946 SPMJZZOJGDJBTR-GFCCVEGCSA-N 229.323 3.968 30 20 BHED CCCNN=C1CCC[C@H]1CCC(C)C 727254934 DLCZJJBOHVHCOR-LBPRGKRZSA-N 210.365 3.578 30 20 BHED C=CCCCOC(=O)C[C@@H]1CCC[C@H](C)C1 735535665 XSYWEENQTLZEEM-QWHCGFSZSA-N 224.344 3.712 30 20 BHED Cc1ccc(NN=C2CCCC2(C)C)cc1 749853797 WUVONKKRERFUOE-UHFFFAOYSA-N 216.328 3.973 30 20 BHED CCCCCCCC(=O)Nc1cnc(C)s1 752413014 HEXDWAPQPSTPAM-UHFFFAOYSA-N 240.372 3.751 30 20 BHED CC(CC1CCC1)=NNc1cccc(F)c1 758375402 SPXFZHIBKWPESP-UHFFFAOYSA-N 220.291 3.804 30 20 BHED C#CCCc1noc([C@@H](CC)CCCCC)n1 762017407 CRRYZRUSECHEPW-LBPRGKRZSA-N 234.343 3.709 30 20 BHED C=C(C)CCOC(=O)c1cccc(Cl)c1F 763521395 GUNPWPBEPPGJNR-UHFFFAOYSA-N 242.677 3.602 30 20 BHED C#C[C@H](C)N(C)C[C@@H](CCC)c1ccccc1 775180527 ZCSYDSVDNLNKDF-GOEBONIOSA-N 229.367 3.524 30 20 BHED C#CCCCCCC(=O)O[C@H](C)c1ccccc1 779744230 XWTBGUSUVHUPGG-CQSZACIVSA-N 244.334 3.875 30 20 BHED CC(C)C[C@@H]1CCCC(=NOCC(F)F)C1 794535360 RVHQTWOMWIGXJO-JTQLQIEISA-N 233.302 3.860 30 20 BHED C[C@@H]1CC[C@H](C=NNc2ncccc2Cl)C1 800810817 VQVPBGJCOXUCMO-ZJUUUORDSA-N 237.734 3.569 30 20 BHED CSCCCC=NNc1ccc(F)cc1F 814686420 FFJIXHAICHONOE-UHFFFAOYSA-N 244.310 3.506 30 20 BHED C/C(=C\Cl)CS[C@@H]1CC[C@@H](C#N)C1 829541751 BYRJBGDOPBSHAD-STFJZOTBSA-N 215.749 3.554 30 20 BHED CC(C)(CCC#N)COC(=O)[C@]1(C)CC=CCC1 835385445 AFPSWWVFVGKFBL-OAHLLOKOSA-N 249.354 3.606 30 20 BHED CCCON=C1CCC[C@@H](c2ncccc2C)C1 842551916 VIHZYKZWPHRBHK-CYBMUJFWSA-N 246.354 3.830 30 20 BHED C=CCOCCSC[C@@H](CC)CC(F)F 853774421 KNJTXIYAWCDMPU-JTQLQIEISA-N 238.343 3.604 30 20 BHED CCCCCCC(=O)OCc1ccc(C#N)cc1 864095453 LZYGFAPEMBLAQT-UHFFFAOYSA-N 245.322 3.572 30 20 BHED CCCCCCCOC(=O)Cc1ccsc1 918493356 QIJBZEWSBBQLMV-UHFFFAOYSA-N 240.368 3.804 30 20 BHED CCC[C@H](Nc1ccc(C#N)cn1)C(C)(C)C 1186478914 JFQMCUJILZJVKG-LBPRGKRZSA-N 231.343 3.580 30 20 BHED C[C@@]1(C#N)CCCN(CCCC2CCCCC2)C1 1653856034 XODGMOPBXXRSFR-INIZCTEOSA-N 248.414 3.973 30 20 BHED CC(C)CN(CC(C)C)c1ccc(C#N)cc1 36449381 YUCURLJUAIUGJD-UHFFFAOYSA-N 230.355 3.677 30 20 BHED N#Cc1cccnc1Oc1ccc(Cl)cc1F 75881655 STMXWZPAHMHQGM-UHFFFAOYSA-N 248.644 3.538 30 20 BHED CC[C@@H](C)C[C@@H](C)NCc1cc(C#N)cs1 86500346 KNDXGACFZFTYKG-GHMZBOCLSA-N 236.384 3.534 30 20 BHED Cc1cc(CN(CCC#N)CCC(C)C)c(C)o1 93100890 PJGUFRVNVRQXHT-UHFFFAOYSA-N 248.370 3.658 30 20 BHED C=CCCC(=O)O[C@H](C)c1ccc(F)cc1F 102506235 SAVFXPAJHPWLAD-SECBINFHSA-N 240.249 3.535 30 20 BHED C=CCC[C@@H](NC(=O)C=C(C)C)c1ccccc1 133891968 BBHGDXIDRQNTBQ-OAHLLOKOSA-N 243.350 3.776 30 20 BHED C=CCCN[C@H](C)c1ccc2ccccc2c1O 161714410 WFJZWIVEVNUMEI-GFCCVEGCSA-N 241.334 3.772 30 20 BHED CC[C@@H](NCc1ccc(C#N)s1)C(C)(C)C 165227693 CVDBNYMKXXKDOD-GFCCVEGCSA-N 236.384 3.534 30 20 BHED C=CCCCC(=O)O[C@H](C)c1ccccc1 174914902 WTEULGKYOSQLIR-GFCCVEGCSA-N 218.296 3.647 30 20 BHED CCC[C@@H](C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 175789726 ITVBOSKBZBSLDO-NEPJUHHUSA-N 245.322 3.599 30 20 BHED C=CCCSc1ncc(C(C)(C)C)o1 177819468 JNZCGHDHCBFFLP-UHFFFAOYSA-N 211.330 3.640 30 20 BHED CC(C)c1ccc([C@@H](C)NCCCC#N)cc1 180938978 LFLSZGOCZVEHOP-CYBMUJFWSA-N 230.355 3.764 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1cncc(F)c1 182182195 NUSHJGZBBXLHEU-RYUDHWBXSA-N 236.334 3.616 30 20 BHED CC[C@H](C)CSCCOc1ccccc1C#N 229046015 KJCQRAVSSJTTEE-LBPRGKRZSA-N 249.379 3.716 30 20 BHED CC/C=C/CCN[C@H](C)c1ccc(C#N)cc1 274337485 NLWJCHZRQMEPNV-MUBLQREKSA-N 228.339 3.565 30 20 BHED CC1(C)CN(CCCCC#N)[C@@H]1c1cccs1 286969493 NWUZFSXRRFHHMF-CYBMUJFWSA-N 248.395 3.825 30 20 BHED C=C(C)CCNc1ccc([C@@H]2CCOC2)cc1 297731368 NPSPMNVHKWVJKH-CQSZACIVSA-N 231.339 3.569 30 20 BHED C[C@H]1CC[C@H](C)N1c1ccc(C#N)c(Cl)c1 301873582 GARDFINDKTXJCG-UWVGGRQHSA-N 234.730 3.589 30 20 BHED C=CCCC[C@@H](C)Nc1cc(C)ccn1 308848834 NIXMEKNBVIRUFS-GFCCVEGCSA-N 204.317 3.547 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCC(C)(C)CCC#N 309734947 GEEVTUBXOVFTNK-CHWSQXEVSA-N 222.376 3.507 30 20 BHED C=CCC(C)(C)CN[C@@H]1CCC[C@H](C)C1 310216802 DMNMGEXTGMIUJZ-QWHCGFSZSA-N 209.377 3.757 30 20 BHED C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1C 335291348 BFXJXTMUXATOBO-CYBMUJFWSA-N 244.338 3.567 30 20 BHED C[C@H]1CCC[C@@H](Nc2ncc(C#N)cc2Cl)C1 339136654 NFDCIUDGLWNDBB-GXSJLCMTSA-N 249.745 3.597 30 20 BHED C=CCCC1(C(=O)N2CCC[C@H]3CCC[C@H]32)CC1 361730839 CSSNBRLVHXNXKJ-ZIAGYGMSSA-N 247.382 3.524 30 20 BHED CC[C@H]1CCCC[C@@H]1OCCCCCC=O 390507207 XGDYFXCYLBUGOR-KBPBESRZSA-N 226.360 3.731 30 20 BHED C=CC[C@H](Cc1ccccc1)NCc1ccco1 414528218 AMOQYXSXYQIPRK-OAHLLOKOSA-N 241.334 3.557 30 20 BHED C=C(C)CCNCc1ccc(OCC2CC2)cc1 449470950 BTNZGCKPUPVDSE-UHFFFAOYSA-N 245.366 3.531 30 20 BHED CCC[C@H](NCC(C)(C)CC#N)C1CCCC1 459732821 PMLKOGMLPBOOLQ-AWEZNQCLSA-N 236.403 3.875 30 20 BHED C=CCCC(=O)N[C@H]1CCC[C@H](C(C)C)CC1 469751696 KCSYYHTUZTYPRE-KBPBESRZSA-N 237.387 3.674 30 20 BHED CC1(C)CC(N[C@@H]2CC[C@H](C#N)C2)CC(C)(C)C1 471599745 VSSYTLXYHSNVOT-QWHCGFSZSA-N 248.414 3.873 30 20 BHED C=CCCCC(=O)N(C)Cc1ccc(CC)cc1 479506472 UVSSBEPLHHNSFO-UHFFFAOYSA-N 245.366 3.564 30 20 BHED C=C(C)CCN[C@H](Cc1cccc(C)c1)C1CC1 509028257 FUKXJJGSTABQDI-QGZVFWFLSA-N 243.394 3.872 30 20 BHED CCc1ccc(CSCC2(C#N)CC2)cc1 537313916 JRXRTJBQBQNYEZ-UHFFFAOYSA-N 231.364 3.786 30 20 BHED CC[C@@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 544431374 XHYHWSWTAKEDON-CHWSQXEVSA-N 249.785 3.716 30 20 BHED N#Cc1ccc(CNc2cccc3cc[nH]c23)cc1 547811877 OYUGBJIPDWMWTE-UHFFFAOYSA-N 247.301 3.652 30 20 BHED C=CCCC[C@H](C)NC(=O)c1ccc(C=C)cc1 551263742 RMJCIRUVDKKUBY-ZDUSSCGKSA-N 243.350 3.804 30 20 BHED C=C(C)CN(Cc1ccc(C)c(C)c1)C1CC1 607156001 SINMXGGHZAQKQN-UHFFFAOYSA-N 229.367 3.844 30 20 BHED C=C(C)CCN[C@H]1CCc2c(F)cc(F)cc21 651420822 UQMPSRTZPSCJTC-AWEZNQCLSA-N 237.293 3.508 30 20 BHED C=CCN(Cc1cccs1)C[Si](C)(C)C 729267214 LUEQQIOJKLVENX-UHFFFAOYSA-N 239.460 3.614 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 754633204 WMQMSRZTDMAKNI-RRFJBIMHSA-N 249.398 3.511 30 20 BHED C=CCCCOC(=O)[C@@H](CC=C)c1ccccc1 778418791 OBOLUSREPXOHNT-HNNXBMFYSA-N 244.334 3.856 30 20 BHED C=CCN(Cc1cc(F)ccc1Cl)C(C)C 782485215 ZGOHEJIAVVGISA-UHFFFAOYSA-N 241.737 3.876 30 20 BHED CCC(CC)NN=C[C@@H]1CCCC[C@@H]1C 783847647 WLNYCWWCJQGYHR-RYUDHWBXSA-N 210.365 3.577 30 20 BHED COc1ccc(NN=C[C@H]2CCCC[C@@H]2C)cc1 783856580 DPAOMLZVAPAMPR-QWHCGFSZSA-N 246.354 3.919 30 20 BHED CC(C)[C@@H]1CCCC(=NO[C@@H]2CCCCO2)C1 794523072 CMZBUCMRPUNLFV-TZMCWYRMSA-N 239.359 3.732 30 20 BHED C=CCCCCCCCCNC(=O)C(C)(C)F 807844230 HISBRPKHRVFYGS-UHFFFAOYSA-N 243.366 3.767 30 20 BHED Cc1ncccc1/C=C1/C(=O)c2ccccc2[C@H]1C 809158111 XZEMDTLMYCJAFE-HPUUJOOBSA-N 249.313 3.773 30 20 BHED C=CCCCCCCCNC(=O)[C@@H](C)C1CC1 811590937 RUUMMHRMUSCBGL-ZDUSSCGKSA-N 237.387 3.675 30 20 BHED CCCCCCCNC1CCC(COC)CC1 823602114 IYVSJWDHMANUOD-UHFFFAOYSA-N 241.419 3.752 30 20 BHED C#CCCCCCC=NOC[C@H](C)CC 834980932 FIEWDAUEWMRVED-CYBMUJFWSA-N 209.333 3.619 30 20 BHED C=CCON=C(CC(F)(F)F)c1ccccc1 835014956 DJAUVAZGAPNQSD-UHFFFAOYSA-N 243.228 3.546 30 20 BHED C=C[C@H](C)ON=C1CCC[C@@H](C(F)(F)F)C1 844624183 GHORSAKXGVPTQH-DTWKUNHWSA-N 235.249 3.686 30 20 BHED CC[C@@H](C)CSc1nc(C#N)c(Cl)s1 853441476 YFZXKZTZZDRBIV-ZCFIWIBFSA-N 246.788 3.806 30 20 BHED Cc1ccccc1C=NNc1ccc(F)cc1 916268178 OOGTVZOBBXICNW-UHFFFAOYSA-N 228.270 3.580 30 20 BHED Fc1ccc(NN=C2CCc3ccccc32)cc1 916268203 QEMRILNPJKAGNB-UHFFFAOYSA-N 240.281 3.588 30 20 BHED Cc1ccc(C)c(C=NNc2ccc(F)cc2)c1 916268337 ZRCOIZKJPNIKMU-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C[C@@H](CCC#N)CN1CCc2ccc(Cl)cc21 1205353704 MZDMMWGDACHHOM-NSHDSACASA-N 248.757 3.642 30 20 BHED Cc1cc(OCCCCC2(C#N)CCC2)ccn1 1335255019 VDGPRMFWPKPRKN-UHFFFAOYSA-N 244.338 3.633 30 20 BHED C[C@H](CCC#N)CN1CC[C@@H](C2CCCCC2)C1 1462415867 XGYWWMLLSLEEQJ-GDBMZVCRSA-N 248.414 3.828 30 20 BHED CCC[C@@H](CC)C(=O)O[C@H](CC#N)c1ccco1 1518000532 HIQDDXLCQPGMOW-DGCLKSJQSA-N 249.310 3.604 30 20 BHED CC[C@@H](C)[C@H]1CCCCN1CC1(CC#N)CC1 1652547248 YRWJSBARIOWEAO-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED C[C@@H](CCC#N)CN1CCC(C(C)(C)C)CC1 1664321131 OUCSYIDMDPPBKU-ZDUSSCGKSA-N 236.403 3.684 30 20 BHED CC(C)CCC[C@@H](C)NCc1cccc(C#N)c1 20022627 RSCMSZWFMIKUMY-CQSZACIVSA-N 244.382 3.863 30 20 BHED CCC1CCN(c2cccc(Cl)c2C#N)CC1 48346678 GUOCJPDCOOFUEX-UHFFFAOYSA-N 248.757 3.838 30 20 BHED Cc1cccc(C)c1NCc1cccc(C#N)c1 49800061 MJEZITZUGBQQGC-UHFFFAOYSA-N 236.318 3.787 30 20 BHED CCC(CC)N(CCCCC#N)CC(C)C 93309050 GWTFJNGNMNMVIY-UHFFFAOYSA-N 224.392 3.827 30 20 BHED C=CCSCCN[C@@H](C)c1sccc1C 129370384 HIULFCOEZKTROX-NSHDSACASA-N 241.425 3.626 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCc2c(F)cc(F)cc21 154702896 YLGJJRRPQZOYIA-YMTOWFKASA-N 237.293 3.506 30 20 BHED C=C(C)CN(CC)Cc1cccc2[nH]ccc12 159013292 SQDWLCBARYJNEM-UHFFFAOYSA-N 228.339 3.566 30 20 BHED N#Cc1ccccc1/C=C/C(=O)c1ccsc1 179327856 FSZNMARJJJLNGA-AATRIKPKSA-N 239.299 3.516 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C 180947415 HRHGUQOIARBTLV-PWSUYJOCSA-N 248.326 3.518 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cc(C)ccc1F 189943736 YYJCKIYPCXBXHB-AWEZNQCLSA-N 235.302 3.675 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cc(C)ccc1OC 191795958 PRIYPTYXLNCTCG-HNNXBMFYSA-N 247.338 3.544 30 20 BHED C=CCCCCCOc1ccccc1C=O 232586532 FAYJYXZYSAQROW-UHFFFAOYSA-N 218.296 3.624 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccsc1Cl 276885560 GRZOREROXDFKGJ-NSHDSACASA-N 243.759 3.942 30 20 BHED C=CCCCNC(C)(C)C1CCCCC1 308835154 HUMGAXFOEVLFKP-UHFFFAOYSA-N 209.377 3.901 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc(F)c(C)c1 309561834 LGVFDQLNPBBAAZ-RYUDHWBXSA-N 221.319 3.749 30 20 BHED C=C1CCN([C@H](C)c2ccc(F)cc2)CC1 341992354 IJWKBFZFZQNRBD-GFCCVEGCSA-N 219.303 3.539 30 20 BHED C=CCCCNc1cnn(-c2ccccc2)c1C 347394318 YAAFKMHNPKVKTK-UHFFFAOYSA-N 241.338 3.559 30 20 BHED CCCCCCCCN[C@@H]1C[C@H](C)n2ccnc21 386159153 FDHYZMACUMTGJD-UONOGXRCSA-N 249.402 3.839 30 20 BHED CCCC1CCC(NCC2(C#N)CCC2)CC1 418143096 OSXXWUCDCCFHQP-UHFFFAOYSA-N 234.387 3.629 30 20 BHED C=C(CC)CN(C#N)c1ccccc1Cl 429791214 OQGHQNHWFKLNSU-UHFFFAOYSA-N 220.703 3.594 30 20 BHED C=CCCCCNC(=O)C(C)(C)C1CCCC1 471716199 OEGKVUICCNOPCR-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCN(CCc1ccccc1)CCC1CC1 480767373 HCCDCYVIQQAOFH-UHFFFAOYSA-N 229.367 3.517 30 20 BHED C=CCCC(=O)N[C@H](c1ccc(F)cc1)C(C)C 501652033 ULUJMHJWRCSVPL-HNNXBMFYSA-N 249.329 3.605 30 20 BHED COCc1ccc(S[C@H](C)CCC#N)cc1 591128190 OMZOQAMEEMSFON-LLVKDONJSA-N 235.352 3.617 30 20 BHED N#CCCCCSCCCC1CCC1 596395567 PTABZOFQPLPWRJ-UHFFFAOYSA-N 211.374 3.994 30 20 BHED C=CCC[C@@H](NC[C@H](C)C1CC1)c1ccco1 671743811 VZOZXCQPUMBZSG-GXTWGEPZSA-N 233.355 3.923 30 20 BHED Cc1cccc(N[C@H](C)CC(C)(C)C#N)c1F 695810213 LVZCFLPOYRWXQO-LLVKDONJSA-N 234.318 3.874 30 20 BHED CCCCCCCNCc1n[nH]c2ccccc12 703724038 SRFOIIHTNUJNFC-UHFFFAOYSA-N 245.370 3.623 30 20 BHED C[C@H](CC1CCC1)Nc1cc(F)cc(C#N)c1 710313619 IAPCEGKZNHLZLK-SNVBAGLBSA-N 232.302 3.688 30 20 BHED C=CCCCOC(=O)CCCSC(C)(C)C 754278183 NFKCEUISWGJUFX-UHFFFAOYSA-N 244.400 3.808 30 20 BHED CCC(CC)C(=O)O[C@H](C)c1cccc(C#N)c1 764615194 WFQBNHMEBYUXCB-LLVKDONJSA-N 245.322 3.599 30 20 BHED CCC(CC)C(=O)OCCCCC(C)(C)C#N 768598965 SMAAWSGARVTGTL-UHFFFAOYSA-N 239.359 3.686 30 20 BHED C#CCCCCN[C@@H](C)c1cc(C)c(F)c(C)c1 773040171 KXABJHVSIUBEMN-AWEZNQCLSA-N 247.357 3.897 30 20 BHED C=CCCCC[C@H](C)NCc1ccc(C#N)cc1 773427407 GRMFEGDUVUWQEX-AWEZNQCLSA-N 242.366 3.783 30 20 BHED C=C(C)CN(C)C(=O)[C@@H](CCCCC)C(C)C 778130634 SWIRZDWMWFJNNG-AWEZNQCLSA-N 239.403 3.873 30 20 BHED C#CC[C@H](N[C@@H]1CC=C(C)CC1)c1ccccc1 788691068 XSBOYXWRHDHUSI-SJORKVTESA-N 239.362 3.839 30 20 BHED CC[C@@H](C)NN=Cc1cc(Cl)cc(Cl)c1 790191207 UWZPDHNLVKZQFS-MRVPVSSYSA-N 245.153 3.715 30 20 BHED C[C@@H](NN=Cc1cc2ccccc2[nH]1)C(C)(C)C 793112825 XQWOWHAKNBUULH-LLVKDONJSA-N 243.354 3.526 30 20 BHED C=CCCCCC[C@@H](C)Nc1cnn(CC)c1 793545505 DXHWRDIITRISHI-CYBMUJFWSA-N 235.375 3.840 30 20 BHED C#CC[C@H](N[C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 800975781 LARLHDVEDYBDAF-VVLHAWIVSA-N 239.362 3.529 30 20 BHED CCOc1ccc(NN=Cc2cccs2)cc1 814984482 OWXZXRDOUYVAHQ-UHFFFAOYSA-N 246.335 3.593 30 20 BHED C(=NOC1CCCCC1)c1cc2cnccc2o1 844591503 LTYXKOAMVUEKKZ-UHFFFAOYSA-N 244.294 3.511 30 20 BHED C=C[C@@](C)(CC)C(=O)OC[C@H](CC)CC(F)F 849761177 CIETUUQMKURKGF-MFKMUULPSA-N 248.313 3.813 30 20 BHED C[C@H]1C[C@H]1C=NNc1cc(F)cc(Cl)c1 853396865 RCUQVPUOULOUHA-YUMQZZPRSA-N 226.682 3.533 30 20 BHED Cc1ccc(C)c(NN=Cc2cnc(C)s2)c1 917540289 MFRZYCOBWFFALQ-UHFFFAOYSA-N 245.351 3.514 30 20 BHED CC(C)(C)ON=C[C@@H]1CCc2ccccc21 1320326268 YKAGXYAZHGRJRY-LBPRGKRZSA-N 217.312 3.517 30 20 BHED CCC(=NOC(C)(C)C)c1ccc(F)cc1F 1327800383 KNZPQAWVILARAG-UHFFFAOYSA-N 241.281 3.894 30 20 BHED CC(C)(CC#N)CNC[C@@H]1CCCC(C)(C)C1 1461568018 WQAWPYLYECTVBF-CYBMUJFWSA-N 236.403 3.732 30 20 BHED FC(F)(F)C/C(Cl)=N/c1ccccc1 1857775523 AHLDFHPYCODIFO-ZSOIEALJSA-N 221.609 3.908 30 20 BHED C=CCCC(=O)CSc1ccc(C)cc1 38763396 MZPRAKNGTQSEBB-UHFFFAOYSA-N 220.337 3.622 30 20 BHED CC(C)(C)CC(C)(C)NCCC(C)(C)C#N 83638607 LWNWXOPVAXYXJV-UHFFFAOYSA-N 224.392 3.731 30 20 BHED CC[C@H](C#N)SCc1cc(C)cc(C)c1 94718378 LJNHCDXZBMHUNQ-CYBMUJFWSA-N 219.353 3.839 30 20 BHED Cc1cccc(C2(NCCCC#N)CCCC2)c1 113932064 UNTXCDBOGZAUNZ-UHFFFAOYSA-N 242.366 3.658 30 20 BHED C=CCCCN(C)[C@H](C)c1sc(C)nc1C 117881150 NCMUTYVFFQBWPU-LLVKDONJSA-N 238.400 3.719 30 20 BHED N#Cc1cccc(COc2ccc3[nH]ccc3c2)c1 126495153 NXGJVACQTJOSGB-UHFFFAOYSA-N 248.285 3.619 30 20 BHED C=CCC[C@H](C)NCCSc1ccccc1 126730454 DWRDMRDIEWTSSB-ZDUSSCGKSA-N 235.396 3.723 30 20 BHED C=CCCC(=O)Nc1cccc(CSCC)c1 128813626 QVPLHOHVZVLCON-UHFFFAOYSA-N 249.379 3.844 30 20 BHED CCCCCSc1cccc(C#N)c1 142741729 JICDHMKUEBUHSX-UHFFFAOYSA-N 205.326 3.841 30 20 BHED CCCC[C@@H]1CCC[C@@H]1NCCCCC#N 167259263 KPEIXNUDPHIGBG-KGLIPLIRSA-N 222.376 3.629 30 20 BHED CC(C)C1(CN[C@@H](C)c2ccc(C#N)cc2)CC1 176960524 MKUUAXOEIOPCNZ-ZDUSSCGKSA-N 242.366 3.645 30 20 BHED CCc1ccccc1N[C@H]1CCC[C@H](C#N)C1 185722018 ZOZFDQGXWIALKX-JSGCOSHPSA-N 228.339 3.743 30 20 BHED Cc1cc(N[C@H]2CCC[C@@H](C#N)C2)ccc1F 185732223 OBSZYGYQSGQFRD-NEPJUHHUSA-N 232.302 3.628 30 20 BHED C#CCCCCN[C@H](C)c1ccc(C)cc1C 222285415 LKLZQNGXUCSMFH-OAHLLOKOSA-N 229.367 3.758 30 20 BHED CCCC[C@H](CCC)Nc1ccnc(C#N)c1 226033477 TWTBOIZVIYNYES-LBPRGKRZSA-N 231.343 3.724 30 20 BHED CC(C)(C#N)c1ccccc1CON=C1CCC1 268943414 GJILYLUXWSWCFE-UHFFFAOYSA-N 242.322 3.544 30 20 BHED C=CCCO[C@@H](C)c1nc(C(CC)CC)no1 274020447 SCCJVVWHKVOMJP-JTQLQIEISA-N 238.331 3.627 30 20 BHED C=C[C@H](C)N[C@H](CCC)c1ccsc1 308499068 FOJYLTBFOMHXHL-CMPLNLGQSA-N 209.358 3.753 30 20 BHED CC(C)(C#N)CCSCCC(F)(F)F 341972701 VNFHQTRNKJBYSA-UHFFFAOYSA-N 225.279 3.612 30 20 BHED CC[C@](C)(C#N)c1nc([C@@H]2CCCC[C@@H]2C)no1 346419800 TWZANKMOTZDUMB-MISXGVKJSA-N 247.342 3.555 30 20 BHED C=CCC[C@H](NCCc1ccco1)c1ccco1 353432956 DUBBHSXWRPSNFW-AWEZNQCLSA-N 245.322 3.712 30 20 BHED C[C@@H]1CCN(c2ccc(C#N)cc2)CC12CCC2 356801069 VXJCQDCZXGIVLW-CYBMUJFWSA-N 240.350 3.575 30 20 BHED CC(C)(C#N)CCCCN1CC[C@H]2CCC[C@H]21 378743219 HZKMQZJJQJOJOY-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED C[C@H](NCC1(C#N)CC1)c1ccc(C2CC2)cc1 419330560 GCDIZBSTVFMUKD-LBPRGKRZSA-N 240.350 3.518 30 20 BHED C=C1CCN(Cc2ccc(C)c(Cl)c2)CC1 447735247 CMLVAHOBWOZIEW-UHFFFAOYSA-N 235.758 3.800 30 20 BHED C=C(C)CCNC(=O)c1ccc(C(C)C)cc1 448551244 XTCJSELQAHZBIS-UHFFFAOYSA-N 231.339 3.506 30 20 BHED C=C(C)CCNC(=O)[C@H](c1ccccc1)C(C)C 452720684 XOCYNCNLXDKYGI-HNNXBMFYSA-N 245.366 3.509 30 20 BHED CC(C)[C@H]1CCC[C@@H](NCC(C)(C)CC#N)C1 459738975 YOCSNXMQMLPONP-UONOGXRCSA-N 236.403 3.731 30 20 BHED CC#CCCS[C@H](C)c1ccccc1 462379885 VCSGJDWHLCMKNS-GFCCVEGCSA-N 204.338 3.894 30 20 BHED C=CC[C@@H]1N(C(=O)CCCC)CCCC1(C)C 470305584 CBVZFORVRXJSKO-ZDUSSCGKSA-N 237.387 3.770 30 20 BHED C=CCCCCN[C@@H](C)c1ncccc1CC 471613260 IDJUXBOOQSKSNJ-ZDUSSCGKSA-N 232.371 3.651 30 20 BHED CC(C)C[C@@H]1CCCN(CCC(C)(C)C#N)C1 537368682 MXPJDEIMMMQOOM-AWEZNQCLSA-N 236.403 3.684 30 20 BHED C=C(CC)CSCc1ccc([N+](=O)[O-])cc1 539094803 NWLKRRFKJXRJHZ-UHFFFAOYSA-N 237.324 3.794 30 20 BHED C=C[C@](C)(CC)C(=O)NCC1(C)CCCCC1 569162062 IKXXLWMSSVYLOJ-OAHLLOKOSA-N 237.387 3.675 30 20 BHED C/C=C/c1ccc(Nc2ncccc2C#N)cc1 580489230 XQBNHAWQLXZIKQ-DUXPYHPUSA-N 235.290 3.730 30 20 BHED C=CCCC1(C(=O)NC[C@@H]2CCCC2(C)C)CC1 583491926 HQVUDXIVKJUUIA-ZDUSSCGKSA-N 249.398 3.675 30 20 BHED Cc1ccccc1CS[C@H](C#N)C1CC1 601071086 UFJKVCQOKUFEEF-CYBMUJFWSA-N 217.337 3.530 30 20 BHED C=CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 671812508 CZEYNNDTKVCHSR-SOUVJXGZSA-N 249.398 3.627 30 20 BHED C=CC[C@H](C)NC(=S)Nc1cc(C)ccc1C 734988079 VXZPPXVUVFEOAL-LBPRGKRZSA-N 248.395 3.554 30 20 BHED CC1(C)CCCC(=NOCc2cccnc2)C1 746588012 IUFAPCNFQZFLOX-UHFFFAOYSA-N 232.327 3.554 30 20 BHED C#CCCN[C@H](CC1CCCC1)c1ccccc1 775551092 SQCCDSWSXWRZIF-QGZVFWFLSA-N 241.378 3.921 30 20 BHED C#CCCCCCC(=O)Nc1c(C)cccc1F 780030539 BJLKQTJVHKZLAL-UHFFFAOYSA-N 247.313 3.656 30 20 BHED C=CCCCCCN(C)C(=O)/C(=C/C)CC 788875882 KMLZRMWXFWCPEK-AWNIVKPZSA-N 223.360 3.548 30 20 BHED CC[C@@H](C)CON=C[C@H](C)c1ccc(F)cc1 793163284 IFUVQQNZANVDFV-NEPJUHHUSA-N 237.318 3.978 30 20 BHED Oc1ccccc1C=Nc1cccc(F)c1Cl 804599203 WFYVRNOCLYHXHA-UHFFFAOYSA-N 249.672 3.935 30 20 BHED C=C(C)CCN(Cc1ccccc1Cl)OC 810139392 RAHSVVUVRBHVBL-UHFFFAOYSA-N 239.746 3.670 30 20 BHED Fc1ccccc1NN=Cc1ccccc1Cl 812458399 BJQXDCDHHAMFQK-UHFFFAOYSA-N 248.688 3.925 30 20 BHED COc1ccc([C@H](C)C(C)=NOCC2CC2)cc1 814240937 BTYZKJGGJUWOFR-LLVKDONJSA-N 247.338 3.601 30 20 BHED CC1CC(=NNc2ccccc2Cl)C1 814690848 BGVNCBLOXPUBDR-UHFFFAOYSA-N 208.692 3.538 30 20 BHED N#C[C@H]1CCC[C@@H](OC(=O)CCC2CCCC2)C1 839042708 IFHTWWNSFRIWRZ-UONOGXRCSA-N 249.354 3.582 30 20 BHED CC(=NNC1CCCC1)[C@@H]1C[C@H]1c1cccs1 841626730 JLSOFSVUFALTRO-QWHCGFSZSA-N 248.395 3.760 30 20 BHED CC(CCCCC#N)=NN[C@@H]1CCCC1(C)C 841636176 SXYRYOWOCIPUEQ-CYBMUJFWSA-N 235.375 3.615 30 20 BHED N#CCSc1nc(C2CCCCC2)cs1 865395879 DQFIOOACPBPZGV-UHFFFAOYSA-N 238.381 3.806 30 20 BHED C=CC(C)(C)CC(=O)Nc1csc(C)c1 881381982 HJIVGFPNSORGEH-UHFFFAOYSA-N 223.341 3.597 30 20 BHED C#CCCCCCCNc1cnn(C2CCC2)c1 897877589 LZWPPIKFCLCGBS-UHFFFAOYSA-N 245.370 3.604 30 20 BHED CCCCCCCCCC(=O)NC[C@H]1C[C@@H]1C 915289925 KDXPYIUDVYXCEY-UONOGXRCSA-N 239.403 3.899 30 20 BHED Cc1cccc(NN=C/C=C/c2ccco2)c1 920356565 NGSIMFHNPDSQOO-BKBLLSCWSA-N 226.279 3.699 30 20 BHED CC(C)(C)ON=C1CCC[C@H]1c1ccccn1 1322041085 RQFVLWANQWWLHS-NSHDSACASA-N 232.327 3.520 30 20 BHED CC[C@H](Nc1cc(C#N)ccn1)C1CCCCC1 52341295 JPBPRXUMJSBVMK-AWEZNQCLSA-N 243.354 3.724 30 20 BHED CN(Cc1ccc(CC#N)cc1)C1CCCCC1 57661492 VSPRESRQBWNMRL-UHFFFAOYSA-N 242.366 3.517 30 20 BHED C=CCCCN[C@H](C)c1cc(C)sc1C 70591985 LEFCOTJKOPAMJO-LLVKDONJSA-N 223.385 3.982 30 20 BHED CC1(CNc2ccc(C#N)cc2)CCCC1 82618967 PREZHYVYBYAPTF-UHFFFAOYSA-N 214.312 3.550 30 20 BHED CN(CCCC(C)(C)C#N)Cc1cccs1 87608476 MZUOAHKHOHEYFW-UHFFFAOYSA-N 236.384 3.510 30 20 BHED CC(C)(CCC#N)CN1CCC[C@H]2CCCC[C@H]21 93480758 BDERLCXZLZQNJH-HUUCEWRRSA-N 248.414 3.971 30 20 BHED CC[C@H](C)CN(CC)CC(C)(C)CCC#N 93845028 VSOUKXAHXMWYKE-ZDUSSCGKSA-N 224.392 3.684 30 20 BHED CCCCCCCCNc1cc(Cl)ncn1 126929198 DQWHMEMANZHCIR-UHFFFAOYSA-N 241.766 3.902 30 20 BHED C=CCC[C@@H](C)NCc1cscc1C 132028181 IFMZDRSAPWZTTI-LLVKDONJSA-N 209.358 3.501 30 20 BHED Cc1ccc([C@@H](C)NCCCCC#N)c(C)c1 178647119 XYPQECGSIWCRLI-CQSZACIVSA-N 230.355 3.648 30 20 BHED C=CCSCCN[C@@H](c1ccccc1)C1CC1 180162098 JJVNNMFCXVGEEX-HNNXBMFYSA-N 247.407 3.647 30 20 BHED C=CCN[C@@H](C)c1cc2cccc(OCC)c2o1 180354057 SGRAIIVUFHJHAE-NSHDSACASA-N 245.322 3.668 30 20 BHED C#CCCCC(=O)N1CCCC[C@H]1CCC(C)C 190388091 ZOHMUOADYBOHJZ-HNNXBMFYSA-N 249.398 3.607 30 20 BHED CC(C)(C#N)CCCN1CCC[C@@H]2CCCC[C@H]21 227841853 VGKQZKPUFAQMFL-LSDHHAIUSA-N 248.414 3.971 30 20 BHED CC[C@@H](C)CN(CC)Cc1ccc(F)c(C#N)c1 229751304 CDFHVAYZFXIYBP-GFCCVEGCSA-N 248.345 3.565 30 20 BHED Cc1ccnc(N[C@@H]2CCC[C@H](C)CC2)c1C#N 235659585 IUMHHSXKFIVTQI-WCQYABFASA-N 243.354 3.642 30 20 BHED C[C@@H]1[C@@H](NCCCC(C)(C)C#N)CCC[C@H]1C 246822960 JGNQGJZJPBVTDO-RDBSUJKOSA-N 236.403 3.731 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H]1CCCc2occc21 246958716 ILBQFHULYZYNLD-OBJOEFQTSA-N 233.355 3.847 30 20 BHED C=CCCC(=O)N[C@@H](C)c1ccc(SC)cc1 281140807 VEURYCKGCKRYLO-NSHDSACASA-N 249.379 3.552 30 20 BHED C=CC[C@@H](C)N[C@@H](CC)c1ccsc1 294427546 PBPARRZLDCJIII-PWSUYJOCSA-N 209.358 3.753 30 20 BHED CCC(CC)Sc1ccc(Cl)c(C#N)n1 301501327 DZVVLBFFCAENOS-UHFFFAOYSA-N 240.759 3.887 30 20 BHED CC[C@@H](Nc1cccc(CC#N)c1)C1CCC1 313414038 WRXHYENHLQZIGO-OAHLLOKOSA-N 228.339 3.743 30 20 BHED C=C(CN[C@@H]1CCC12CCC2)c1ccccc1 337447898 HARPWZMWXADTTR-OAHLLOKOSA-N 227.351 3.622 30 20 BHED C=C(CN[C@H](C)CCC1CC1)c1ccccc1 398129007 DOFVDHGVXNIVMP-CQSZACIVSA-N 229.367 3.868 30 20 BHED CCC[C@@H]1CCCN1Cc1ccc(CC#N)cc1 399286084 ZDBRIVGTZZGUEN-MRXNPFEDSA-N 242.366 3.517 30 20 BHED CN(CCCC(C)(C)C)Cc1ccc(C#N)cc1 410310323 JAJVNCNHSNYTNS-UHFFFAOYSA-N 244.382 3.816 30 20 BHED COc1ccccc1CS[C@@H](C)CCC#N 412993599 NZOBLTKAEROCNW-NSHDSACASA-N 235.352 3.621 30 20 BHED N#CCCSCc1ccc(F)c(Cl)c1 413017673 ZYKHHCANSYSTTM-UHFFFAOYSA-N 229.707 3.626 30 20 BHED C=CCCN[C@@H](CC(F)F)c1ccccc1 420996703 QWAPEEDYDDSNBA-LBPRGKRZSA-N 225.282 3.549 30 20 BHED CC(C)C[C@H]1CCC[C@H](N[C@@H]2CC[C@H](C#N)C2)C1 424195369 CTHGNJHZPSBJFF-FXUDXRNXSA-N 248.414 3.873 30 20 BHED CC(C)C1CCC(N(C)CCCCC#N)CC1 433170220 VDJDMGCMUVGLMF-UHFFFAOYSA-N 236.403 3.827 30 20 BHED C=CCC1(CNC(=O)CC(C)(C)C)CCCC1 456486102 MGZIVHKKLGKFOD-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=C[C@H](C)NC(=O)[C@@H](CC)CC1CCCCC1 465143115 FCGVQFAMONTGSG-JSGCOSHPSA-N 237.387 3.674 30 20 BHED C=CCCCCNC(=O)C[C@H]1CCC[C@H](C)C1 471700031 GMCGMLLXJFOFLP-KBPBESRZSA-N 237.387 3.675 30 20 BHED C=C(C)CCc1noc(-c2ccc(C)cc2F)n1 508597581 XMSMIWJLRXRKLF-UHFFFAOYSA-N 246.285 3.693 30 20 BHED C=C(C)CCN1CCC2(CCCC2)CC1 509659596 VEUCAAJWDYYJBZ-UHFFFAOYSA-N 207.361 3.609 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H](CCOC)C(C)(C)C 511055226 WQUFPLXIBCIMBF-MJBXVCDLSA-N 241.419 3.628 30 20 BHED CC#CCN(CC)[C@H](C)c1cc2ccccc2o1 525633059 FSFZTCZQFBKTHT-CYBMUJFWSA-N 241.334 3.839 30 20 BHED C=C(CC)CNc1cc(F)ccc1OC(F)F 540194592 YNKVSTWGDRUMOG-UHFFFAOYSA-N 245.244 3.805 30 20 BHED CCc1cc(C#N)ccc1OCCCCCF 550990094 NWIJILFLUNPBNU-UHFFFAOYSA-N 235.302 3.639 30 20 BHED C=C(C)CN1CC(C)(C)[C@@H]1c1cccs1 561957099 LIINHWSKDVNXAA-LBPRGKRZSA-N 221.369 3.707 30 20 BHED Cc1cc(SC[C@H]2CCCCO2)ccc1C#N 563128885 XGGJIWWXDKCKJS-CYBMUJFWSA-N 247.363 3.528 30 20 BHED Cc1cccc(Sc2snc(C)c2C#N)c1 570001736 HCDZPGJVCAHTEQ-UHFFFAOYSA-N 246.360 3.783 30 20 BHED C#C[C@@H](NC(=O)CCC1CCCCC1)C(C)(C)C 702237329 ZFPNJPRJFZLHLX-CQSZACIVSA-N 249.398 3.511 30 20 BHED CC(C)C[C@H](C)CNc1cc(F)cc(C#N)c1 718556354 ICNAZFZMZMXMGQ-NSHDSACASA-N 234.318 3.791 30 20 BHED C=C(Cl)CN1CC[C@@H](Cc2ccccc2)[C@@H]1C 747532188 VGLFFBCPIPQTMA-ZFWWWQNUSA-N 249.785 3.692 30 20 BHED CC(C)C(=NNc1ccccc1F)C1CC1 750931911 DGYDNTQXCLZSOZ-UHFFFAOYSA-N 220.291 3.660 30 20 BHED CC(C)=C(C)C(=O)Nc1ccc(C#N)c(Cl)c1 751118020 MTJMCURWWSQUGK-UHFFFAOYSA-N 248.713 3.506 30 20 BHED C[C@H](CC=NOCC(F)(F)F)c1ccccc1 755795894 GYUITNRJGNZZQU-SNVBAGLBSA-N 245.244 3.745 30 20 BHED C=C[C@@H](C)NC(=O)[C@@H](CCCCC)C(C)C 757012526 KIVVEYOMWJGWFC-OLZOCXBDSA-N 225.376 3.530 30 20 BHED CCC(=CC(=O)Oc1ccc(C#N)c(C)c1)CC 765091304 GTJOLIRMZGQNPD-UHFFFAOYSA-N 243.306 3.519 30 20 BHED C#CCCCN1C[C@H](C)C[C@@H]1c1ccccc1F 766903605 TUIZBNYUPPWWDG-CZUORRHYSA-N 245.341 3.622 30 20 BHED C=C(Cl)CN[C@H]1CCC[C@@H]1Cc1ccccc1 773004596 MLEPYOFGRYXVNB-CABCVRRESA-N 249.785 3.740 30 20 BHED CCCCCCC[S@](=O)CCCCC 774555823 NTNQEWFCNIRILW-CQSZACIVSA-N 218.406 3.896 30 20 BHED CCSCCC=NNc1ccccc1Cl 781113910 IWEJOYMYWVSQIO-UHFFFAOYSA-N 242.775 3.881 30 20 BHED C(=NNc1ccccc1)c1ccc2cnccc2c1 782098864 WNVNDNNFLSOFOM-UHFFFAOYSA-N 247.301 3.681 30 20 BHED CCC[C@@H](C)CC(=O)OCCCC(C)(C)C#N 783322056 OKJLLOVPUARRDW-GFCCVEGCSA-N 239.359 3.686 30 20 BHED CC[C@H]1CCC[C@@H](C=NOCc2cccnc2)C1 783856716 IYYDWKXGXORTBM-UONOGXRCSA-N 246.354 3.800 30 20 BHED C=CCCN(C)C(=O)[C@H](C)CCCCCC 786224659 ZHBDLNHDUPRQBR-CYBMUJFWSA-N 225.376 3.627 30 20 BHED Fc1cccnc1NN=C1CCCCCCC1 794981074 UEQRAUPUYZZAPA-UHFFFAOYSA-N 235.306 3.733 30 20 BHED Cc1cc(C(=O)/C=C/c2ccsc2)oc1C 799898422 YYLODLOUZAESLR-ONEGZZNKSA-N 232.304 3.854 30 20 BHED C=CCCCCCCCNC(=O)C1[C@H]2CCC[C@H]12 811589771 FWZCAHYHFFTQAX-KBPBESRZSA-N 249.398 3.675 30 20 BHED CC(=NOC/C=C/Cl)c1cc2ccccc2o1 811668113 KSTOLVMMZNEGJD-ZPEYGQBVSA-N 249.697 3.926 30 20 BHED C[C@H]1C[C@H](C)CCC1=NN[C@@H](C)c1ccncc1 819816620 MFBHYGUTZUJWJB-AGIUHOORSA-N 245.370 3.544 30 20 BHED Clc1ccnc(NN=C2CCCC23CCC3)c1 834968919 BPUJXLOPBPIMAK-UHFFFAOYSA-N 249.745 3.857 30 20 BHED CCC[C@H](CC(C)C)C(=O)O[C@H](CC)CC#N 835341594 WGUKOEZRMFAWFK-CHWSQXEVSA-N 239.359 3.684 30 20 BHED CCCCCCC(=O)O[C@H]1CCC[C@H](C#N)C1 839060136 YXUVWTSCCBPBII-STQMWFEESA-N 237.343 3.582 30 20 BHED C#CCCCCN[C@H](C)[C@@H]1C[C@H]1c1cccs1 841748138 HLRNENFQNNPFEF-HZSPNIEDSA-N 247.407 3.633 30 20 BHED C[C@@H]1CCCCCC1=NNc1ccnc(F)c1 844589067 CVNKPSRLVQCJNE-SNVBAGLBSA-N 235.306 3.589 30 20 BHED C=CCCC(C)(C)NC(=O)/C=C/c1cccs1 856375090 ONHWFMSDDBQIFZ-CMDGGOBGSA-N 249.379 3.622 30 20 BHED C[C@@H]1CCCC(=NNc2cccc([N+](=O)[O-])c2)C1 916269021 LZVJOPXASAMDEG-SNVBAGLBSA-N 247.298 3.573 30 20 BHED C=C(C)C(C)(C)c1nnc(CC2CCCC2)o1 1329323065 CDMZUTYXXNSOTD-UHFFFAOYSA-N 234.343 3.656 30 20 BHED C=CCC[C@H]1CCCN1C(=O)CCCCC 1347510952 KSLLVPWJBOCMFY-ZDUSSCGKSA-N 223.360 3.524 30 20 BHED CC(C)=CCC[C@@H](C)Nc1cccc(CC#N)n1 1347839812 LQSRFLCCPDSTRS-CYBMUJFWSA-N 243.354 3.694 30 20 BHED C=C(Cl)CN1CCc2ccccc2C1(C)C 1659114377 ZOLSOQUEVRDFHP-UHFFFAOYSA-N 235.758 3.532 30 20 BHED C=C(C)CN1CCC[C@H]1c1cccc(C)c1 56305150 CZLPVUZZVUWGOL-HNNXBMFYSA-N 215.340 3.708 30 20 BHED CCC1(C)CCN(Cc2ccccc2C#N)CC1 60941645 CBKXGWZOAPWYPN-UHFFFAOYSA-N 242.366 3.570 30 20 BHED Cc1cccc(-c2cccc(C#N)c2)c1F 84934345 CHIGPHZKZKRGJL-UHFFFAOYSA-N 211.239 3.673 30 20 BHED C[C@H](/N=C\c1ccccc1O)c1ccccc1 103010705 KXFHUWSZKOXLFW-IEMQHYRPSA-N 225.291 3.572 30 20 BHED CCN(CCC#N)Cc1csc2ccccc12 107886046 KHJFJQMCJHKDGW-UHFFFAOYSA-N 244.363 3.637 30 20 BHED CC[C@@H](c1ccc(F)cc1)N(CC)CCC#N 123312239 GBCJECSNQDUBDN-AWEZNQCLSA-N 234.318 3.512 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCCc2occc21 126755372 YDWFNZGFGMSQRK-WCQYABFASA-N 219.328 3.601 30 20 BHED C=C(C)CSCc1cc(-c2ccco2)on1 171123335 AEVGQINFBBWJBN-UHFFFAOYSA-N 235.308 3.744 30 20 BHED C=CCCCC(=O)Nc1ccc2[nH]c(C)cc2c1 175259394 AHFOKUSDVBZIMW-UHFFFAOYSA-N 242.322 3.771 30 20 BHED C[C@H]1CCC[C@@H](CNCc2ccc(C#N)s2)C1 176954600 TYLHIMIFIMFLEG-NWDGAFQWSA-N 248.395 3.536 30 20 BHED C=C(C)CN(C)C(=O)Nc1c(C)cc(C)cc1C 181493851 QUTNHEIIWURLQH-UHFFFAOYSA-N 246.354 3.652 30 20 BHED CC[C@H](C)CSCc1ccccc1C#N 229045472 YVVLMKOEBYXIAV-NSHDSACASA-N 219.353 3.838 30 20 BHED C[C@H]1[C@H](C)CCC[C@H]1NCc1ccc(C#N)s1 247320903 LEQOSLCFYBCFRG-UHIISALHSA-N 248.395 3.534 30 20 BHED N#CCCSc1ccc2c(c1)CCCC2 259200056 KKWHRFHIJLBKTN-UHFFFAOYSA-N 217.337 3.571 30 20 BHED CCc1ccc2nccc(NCCCC#N)c2c1 295143232 ZVORDSKQHPHNSC-UHFFFAOYSA-N 239.322 3.513 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)c1ccncc1CC 361127924 BRHDFBTVIXYOSN-OLZOCXBDSA-N 232.371 3.649 30 20 BHED C=CCC[C@H](CC)N[C@H](C)CC(F)(F)F 389949673 RTHORWFUSLBOQB-ZJUUUORDSA-N 223.282 3.662 30 20 BHED C=CCCC[C@H](C)N[C@H]1CCCc2occc21 398138156 YLHZBXLRRMIELO-JSGCOSHPSA-N 233.355 3.991 30 20 BHED C=CCC1(C(=O)N2CCC[C@H](C)[C@H]2C)CCCC1 410515684 QFSOROFKCQMXFT-UONOGXRCSA-N 249.398 3.770 30 20 BHED C=CCC1(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)CCCC1 416123947 YUTDBJCZXSWVDZ-MJBXVCDLSA-N 249.398 3.626 30 20 BHED C=C(C)C(C)(C)c1nc(-c2sccc2C)no1 424358081 FMQQJONQBFJQMW-UHFFFAOYSA-N 248.351 3.960 30 20 BHED C=CCCSCc1cccc(F)c1C#N 427705367 NUBNAKCDXZNKSI-UHFFFAOYSA-N 221.300 3.507 30 20 BHED C=CCOc1cccc(CN[C@@H]2CC[C@H](C)C2)c1 436415224 WSAFPGFKCUYCON-DZGCQCFKSA-N 245.366 3.530 30 20 BHED N#Cc1ccc(SCC2CC(F)(F)C2)cc1 450806672 DMYFFXXQTWPGME-UHFFFAOYSA-N 239.290 3.696 30 20 BHED C=CCCCNc1cnn(CCC)c1C1CC1 453148852 LDMAISLAEHZOPS-UHFFFAOYSA-N 233.359 3.549 30 20 BHED C=CCCN(C)C(=O)C[C@H]1CCCCC1(C)C 466641274 RZOLHNROEMOHCI-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H](C)C(C)(C)C 539441188 UMXRUBRGMBDBRQ-RYUDHWBXSA-N 225.376 3.530 30 20 BHED CCC[C@H]1CCCC[C@H]1NCCC(C)(C)C#N 547509681 QEYSGIMBKBOBCE-UONOGXRCSA-N 236.403 3.875 30 20 BHED C=CCCCCN[C@@H](CC)c1c(C)noc1C 582587379 MMZAJBPDZSTGPP-ZDUSSCGKSA-N 236.359 3.688 30 20 BHED CC(C)(C)C(C)(C)CN[C@@H]1CCC[C@@H](C#N)C1 590255437 KAFGBUFJVMCBKJ-CHWSQXEVSA-N 236.403 3.731 30 20 BHED C=CCN(C(=O)C1CCCCCC1)C(C)(C)C 622943543 GXDVMDSMKZRCJL-UHFFFAOYSA-N 237.387 3.770 30 20 BHED C=CCCN1CC=C(c2ccc(C)cc2)CC1 739905518 XJFCOSVKRAQJQK-UHFFFAOYSA-N 227.351 3.660 30 20 BHED CCCCCC[C@H](C)NN=Cc1ccc(O)cc1 743449761 AVRHZVNMGCXTLC-ZDUSSCGKSA-N 248.370 3.675 30 20 BHED CCCCCCCN1CCC[C@@H](c2ncc[nH]2)C1 749843478 CNFYTKQTMZRYEM-CQSZACIVSA-N 249.402 3.560 30 20 BHED CCCCCCC=NNc1ccccc1[N+](=O)[O-] 755464676 AFADOXIJKRBZNS-UHFFFAOYSA-N 249.314 3.963 30 20 BHED CCCC[C@@H]1CCCC1=NO[C@H]1CCCCO1 755818826 UIGWJCZCZOLCRY-OCCSQVGLSA-N 239.359 3.876 30 20 BHED Fc1ccc(NN=C2CC3(CCC3)C2)c(F)c1 772831444 VNUBXBNKCMPRAF-UHFFFAOYSA-N 236.265 3.697 30 20 BHED C=C(CC)COC(=O)[C@H](CC)c1ccccc1 773430535 RJPVDEVCFIAOMP-CQSZACIVSA-N 232.323 3.690 30 20 BHED Clc1ccc(C=NOC2CCCC2)cc1 774607354 FNCBNAYZCSCGIN-UHFFFAOYSA-N 223.703 3.633 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C(/C)C(C)(C)C 775924429 LOQDIWGXJMKGHE-HHQWOOOKSA-N 237.387 3.840 30 20 BHED CC(=NOCc1ccccc1)C1CCSCC1 777431695 AHABPHRBZBLTER-UHFFFAOYSA-N 249.379 3.722 30 20 BHED C[C@H]1CCCCC1=NN[C@@H]1CCCC1(C)C 782299452 GDHUCPCIIYJCLL-WCQYABFASA-N 222.376 3.721 30 20 BHED C#CCC1(C(=O)NCC(CC)CC)CCCCC1 788211889 JDJLQDWYCVNKOM-UHFFFAOYSA-N 249.398 3.513 30 20 BHED C=CCCOC(=O)c1ccc(C)c(Cl)c1F 789067464 UNTCIFCFQIPYMJ-UHFFFAOYSA-N 242.677 3.520 30 20 BHED N#CC1(C(=O)OCCC2CCCCCC2)CCC1 798875835 ZMZUMZUUOGAQMM-UHFFFAOYSA-N 249.354 3.584 30 20 BHED C=CCCCCOC(=O)/C=C/c1cccs1 811013040 HVVGAVCWGRCSKB-CMDGGOBGSA-N 236.336 3.661 30 20 BHED CC[C@H](CC#N)NCc1ccccc1C(C)C 848903353 QJOSJXJFTATJLX-CQSZACIVSA-N 230.355 3.592 30 20 BHED C=CC(C)(C)CC(=O)N1CCC[C@@H](CC)CC1 878876316 WKOYGOMQNNVXGQ-CYBMUJFWSA-N 237.387 3.627 30 20 BHED CC(=NNc1ccc(F)cc1)c1ccc(C)cc1 916268050 GXNGPTHMRAMLQK-UHFFFAOYSA-N 242.297 3.970 30 20 BHED Fc1ccccc1NN=C/C=C/c1ccco1 920371842 OFHKUSXYRJZYKP-DIBKDCFRSA-N 230.242 3.530 30 20 BHED C[C@H](NN=C/C=C\c1ccco1)c1ccccc1 920382850 PVWZOCVUDRJDSX-NJDKEUSPSA-N 240.306 3.629 30 20 BHED Cc1c(C#N)cccc1NCCC(C)(C)C 1308680016 PFKNAFNWIIFYBR-UHFFFAOYSA-N 216.328 3.715 30 20 BHED N#Cc1ccnc(CSCC2CCCCC2)c1 1472980646 HXFBYQOKTOPIMJ-UHFFFAOYSA-N 246.379 3.767 30 20 BHED Cc1ccc(C)c([C@H](C)NCCC(C)(C)C#N)c1 1642594836 VSLYQVODFSEHBV-AWEZNQCLSA-N 244.382 3.894 30 20 BHED CCCCCCCCC(=O)N1CCC[C@@H](C)C1 1733508 KVOASITZCMUEBS-CQSZACIVSA-N 239.403 3.996 30 20 BHED Cc1cccc(C)c1OCc1cccc(C#N)c1 19804820 CMDXDYLMMABPEH-UHFFFAOYSA-N 237.302 3.754 30 20 BHED Cc1ccsc1CNc1cccc(C#N)c1 19922003 TTXWTTUTFWNAFO-UHFFFAOYSA-N 228.320 3.540 30 20 BHED CC1(C)CCN(c2cc(Cl)ccc2C#N)CC1 62790104 XGNBRGBIZZDSPH-UHFFFAOYSA-N 248.757 3.838 30 20 BHED CCCOc1ccc(OCCC(C)(C)C#N)cc1 87596014 BELGCFAXFILEOR-UHFFFAOYSA-N 247.338 3.794 30 20 BHED CCCCCCCCN[C@H](CO)c1ccccc1 103855543 PGZKBPROJSSKKI-MRXNPFEDSA-N 249.398 3.670 30 20 BHED CCCCCCCCNC[C@@H]1CCC=CO1 126761720 COIKWNHEOPLGCW-AWEZNQCLSA-N 225.376 3.629 30 20 BHED C=CCS[C@H](C)c1ccccc1[N+](=O)[O-] 141742350 FULVHDLQZPNAKD-SECBINFHSA-N 223.297 3.575 30 20 BHED C=CC[C@@H](C)N[C@H]1CCCc2sccc21 161649492 HQLCSBPLHPDACU-PWSUYJOCSA-N 221.369 3.680 30 20 BHED C=C(C)CN(C)[C@H](C)c1nc2ccccc2s1 171128072 ADGSXSMOUUQZHU-LLVKDONJSA-N 246.379 3.865 30 20 BHED CC[C@@H](NCCCCC#N)c1ccc(F)cc1 172620652 VQDLQTQYOCFNNO-CQSZACIVSA-N 234.318 3.560 30 20 BHED C#CCCCCC(=O)N(C)CCC1CCCCC1 179955743 LVASATXCUNAUKX-UHFFFAOYSA-N 249.398 3.609 30 20 BHED C[C@H](CNCCCCC#N)CC1CCCCC1 183474091 ZOMAWXWIXRXHAG-AWEZNQCLSA-N 236.403 3.876 30 20 BHED CC#CCCCC(=O)Nc1ccc(SC)cc1 185002264 CKWJQNUYWBNPSD-UHFFFAOYSA-N 247.363 3.541 30 20 BHED CCCC[C@@H](CC)CNc1ncccc1C#N 220565813 SMVONFRMOIYMDA-GFCCVEGCSA-N 231.343 3.582 30 20 BHED C[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CC[C@H]1C 249260082 HMXIBDOKDTYDMO-MCIONIFRSA-N 242.366 3.597 30 20 BHED Cc1cc(N=Cc2ccccc2O)ccc1F 254401346 SJLQVWCRYZASLY-UHFFFAOYSA-N 229.254 3.590 30 20 BHED C=CCC[C@H](CC)NCCCc1cccc(C)n1 287284478 CZILEPBZRFVXFB-HNNXBMFYSA-N 246.398 3.657 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc(F)cc1C 292137653 DOXILEKJNPQRPA-UHFFFAOYSA-N 235.302 3.675 30 20 BHED CC(C)(CNc1ncccc1C#N)C1CCCC1 301789540 YISIJFZWZLCNSK-UHFFFAOYSA-N 243.354 3.582 30 20 BHED CCC1(CC)CCN([C@@H]2CC[C@H](C#N)C2)CC1 335928901 XONROOYUQZEZSL-UONOGXRCSA-N 234.387 3.581 30 20 BHED C=CCN[C@H](CCCC)c1ccc(OC)cc1 341786191 BWHFWOIBACGDLW-OAHLLOKOSA-N 233.355 3.702 30 20 BHED C=CC[C@H](C)[C@H](C)NC[C@@H]1CCC[C@H]1C 389878282 MVQCYFRNIXGJJD-CRWXNKLISA-N 209.377 3.613 30 20 BHED C=C(CC)CNc1ccc(C(C)=O)c(C)c1 390527903 HMXFOCCXDHWWRW-UHFFFAOYSA-N 217.312 3.576 30 20 BHED C=C(C)CN[C@H](C)c1ccc(C2CC2)cc1 419335014 HBBRIDRNRPKALI-GFCCVEGCSA-N 215.340 3.791 30 20 BHED CCCC[C@H](CC)NCc1ccc(C#N)s1 421354092 VHOBZLZNMYZHDB-NSHDSACASA-N 236.384 3.678 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)c1cccc(C)c1 424636699 DJYUPUVXLNBOMG-UHFFFAOYSA-N 231.339 3.560 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccc2ccoc2c1 424794293 FGHRCIOWTCIWTM-UHFFFAOYSA-N 243.306 3.974 30 20 BHED C=CCC[C@@H](CCC)NCc1cnc(C2CC2)o1 449702195 CWHLBBZXUDWYDT-CYBMUJFWSA-N 248.370 3.777 30 20 BHED C[C@@H]1CC(C)(C)CC[C@H]1NCC(C)(C)CC#N 459733517 QDNDEGDZNUGTKU-CHWSQXEVSA-N 236.403 3.731 30 20 BHED C[C@@H](c1ccccc1)[C@@H](C)NCC(C)(C)CC#N 459737992 XCNZCDDRTBYBOK-ZIAGYGMSSA-N 244.382 3.708 30 20 BHED C=C[C@@H](C)NC(=O)CC(C)(C)C1CCCCC1 476307961 IROHOUSINUXWNO-GFCCVEGCSA-N 237.387 3.674 30 20 BHED C=C(C)CN(CC)C(=O)CC1(C)CCCCC1 509666081 JBYNISHXZPFRKT-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C=CCCc1csc(Cc2ccc(F)cc2)n1 536389297 AWZCMSPHPSFANA-UHFFFAOYSA-N 247.338 3.992 30 20 BHED C=CCCCN1CCC=C(c2ccccc2)C1 551711242 ODUIHBGCVNCGDC-UHFFFAOYSA-N 227.351 3.742 30 20 BHED C=CCC(C)(C)c1noc([C@H]2CC23CCCC3)n1 560026171 GEQJBNDTCVBISD-LLVKDONJSA-N 246.354 3.971 30 20 BHED C=CCCCCN1CCC[C@@H](OCCC)CC1 560220416 HIMSNMXGCJYXSL-OAHLLOKOSA-N 239.403 3.624 30 20 BHED CC#CCCCc1nc([C@@H]2CCC[C@@H](C)C2)no1 565505570 RJWGOIJPRZCFKU-CHWSQXEVSA-N 246.354 3.709 30 20 BHED C[C@H](CCC#N)CN1CCCCc2ccccc21 589820903 DLWUMVREDPKDNF-CQSZACIVSA-N 242.366 3.769 30 20 BHED N#C[C@@H](Sc1ccc(F)c(Cl)c1)C1CC1 601071810 AENCOKZSQNMEHV-LLVKDONJSA-N 241.718 3.873 30 20 BHED C=CCCCSCC(=O)c1ccccc1 601084999 KMPWNJYCTGRWCN-UHFFFAOYSA-N 220.337 3.569 30 20 BHED C=CCCCNC(=O)[C@H](CCCC)C(C)C 621980028 GTIUEXBWDSDNBT-CYBMUJFWSA-N 225.376 3.531 30 20 BHED C#Cc1cccc(NC2CCC(F)(F)CC2)c1 688278793 WLWNEOCCSVTYSR-UHFFFAOYSA-N 235.277 3.658 30 20 BHED C(=NNc1cccc2cnccc12)c1ccccc1 728432368 RUHBSSRASAROOA-UHFFFAOYSA-N 247.301 3.681 30 20 BHED CC1(C)CCC/C(=C/c2ccccc2F)C1=O 757534526 LINICDKUUXTVHM-BENRWUELSA-N 232.298 3.988 30 20 BHED CC(=NOC1CCCCC1)c1ccccc1 777456561 CDYUHBCWIODVPY-UHFFFAOYSA-N 217.312 3.760 30 20 BHED C#CCCCCCC(=O)N1CCC[C@@H]1CC(C)C 780451960 XDFGMFWTBQMVOD-OAHLLOKOSA-N 249.398 3.607 30 20 BHED CCCC[C@H]1CCCC1=NOCCSC 794572157 LBDIFXDRQZOJES-NSHDSACASA-N 229.389 3.712 30 20 BHED CCCCCCC[C@H](C)CNCC1(C)COC1 796275496 LFJGFBPRXPHZFL-AWEZNQCLSA-N 241.419 3.609 30 20 BHED CCCCCCCCCN(C)c1nnc(C)o1 804375593 RHYZAWLNWCXKQO-UHFFFAOYSA-N 239.363 3.565 30 20 BHED C#CCCN1CC2(CCCC2)[C@@H]1c1ccccc1 839127556 UUWADDPZEQFXHE-INIZCTEOSA-N 239.362 3.627 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H](C)c1ccc(C)o1 856373864 BZPOSZODQJPRDS-GFCCVEGCSA-N 249.354 3.553 30 20 BHED C=CCCC(C)(C)NC(=O)c1ccc(CF)cc1 856375103 OYENVTJBPYJZMU-UHFFFAOYSA-N 249.329 3.631 30 20 BHED C=CCCC(=O)Nc1ccc(OCCC)c(C)c1 863529020 UBJITGATESBMNH-UHFFFAOYSA-N 247.338 3.689 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(C(C)(C)O)cc1 926522428 WKQAESUATKOCJO-ZDUSSCGKSA-N 247.382 3.531 30 20 BHED CCCN(CCCCC1(C#N)CCC1)C1CC1 929515504 DUQQXJLRUPGFRD-UHFFFAOYSA-N 234.387 3.725 30 20 BHED N#Cc1ccc(CSc2ccc(O)cc2)s1 1307294389 WZRBSRUEOLVCCK-UHFFFAOYSA-N 247.344 3.618 30 20 BHED C=CC1CCN(c2nc3cccc(C)c3o2)CC1 1324715963 HWWYBFRDQNEBTA-UHFFFAOYSA-N 242.322 3.539 30 20 BHED C[C@H]1CCN([C@H](C#N)c2ccccc2)CC1(C)C 1653230048 OCKXWDRXSXBOKU-DZGCQCFKSA-N 242.366 3.619 30 20 BHED CC[C@@H]1CCCC[C@H]1NCc1cccc(C#N)c1 35256717 QLPKYMVXNCKMNM-HZPDHXFCSA-N 242.366 3.617 30 20 BHED C[C@@H](Oc1ccc(C#N)cc1F)c1ccccc1 36886797 QYAGGUMHQGMXQH-LLVKDONJSA-N 241.265 3.837 30 20 BHED CCC[C@H](C)N[C@@H](CCC#N)c1ccccc1 90664908 PJDVRFBDQLZLFZ-ZFWWWQNUSA-N 230.355 3.810 30 20 BHED CC(C)CN(CC(C)C)c1cccc(F)c1C#N 93396560 PNRXGOOUVUYXBA-UHFFFAOYSA-N 248.345 3.816 30 20 BHED C=CCN(C(=O)c1cc(C)ccc1F)C(C)(C)C 165232762 DZTSAISPCZYBFR-UHFFFAOYSA-N 249.329 3.561 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1ccc(F)cc1C 182619196 USPIJYFPHZPKPN-GFCCVEGCSA-N 249.329 3.609 30 20 BHED CCC[C@H](NCCCCC#N)c1ccsc1 187697389 TTZMAZCWXMGXTR-ZDUSSCGKSA-N 236.384 3.873 30 20 BHED C#CCCCCN[C@@H](c1ccccc1)C(C)C 223186529 ZXFNRLCMLAERCE-MRXNPFEDSA-N 229.367 3.777 30 20 BHED CC1(C)CCC/C(=C\c2cccs2)C1=O 255635587 AYNSNDTWQWPTIM-MDZDMXLPSA-N 220.337 3.911 30 20 BHED C#CCCCNc1ccccc1NC(C)(C)C 277566849 SLKFAMXGVLNPIR-UHFFFAOYSA-N 230.355 3.722 30 20 BHED C[C@H](CCC#N)N1CCC[C@@H]1c1ccsc1 297736735 CVRSJDODSDJRCA-DGCLKSJQSA-N 234.368 3.577 30 20 BHED CCN(CC[C@H](C)F)[C@H](C)c1ccc(C#N)cc1 351843828 IROYQYILMSHRTL-QWHCGFSZSA-N 248.345 3.689 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CC[C@H](C)C2(CCC2)C1 353451306 WPIURAPHWXATJZ-ZFWWWQNUSA-N 249.398 3.627 30 20 BHED C=CCCC(=O)N1CCCCCc2ccccc21 358893805 DIGILMODNAIFOV-UHFFFAOYSA-N 243.350 3.712 30 20 BHED CC(C)N(CC1(C#N)CC1)[C@@H](C)c1ccccc1 428854057 AXRSEJBTSWCOBH-AWEZNQCLSA-N 242.366 3.762 30 20 BHED C=C1CCN(C[C@H](C)c2ccc(F)cc2)CC1 438119611 UGBSFDMZPRAELZ-ZDUSSCGKSA-N 233.330 3.581 30 20 BHED C=CC[C@@H]1N(Cc2cc(C)on2)CCCC1(C)C 444784683 OMPWGHJUZBZQEL-AWEZNQCLSA-N 248.370 3.550 30 20 BHED C=CCCC[C@H](C)NCc1ccc(C)c(OC)c1 446810675 QLGCPANRFCYGME-AWEZNQCLSA-N 247.382 3.838 30 20 BHED CC(C)CC[C@H]1CC[C@@H](NCC(C)(C)C#N)C1 449241023 QNXMEIAQZRJRDD-UONOGXRCSA-N 236.403 3.731 30 20 BHED C=CCCC[C@H](C)N[C@H](CC)c1ccncc1 453185110 XISFZWBERSOTSW-DZGCQCFKSA-N 232.371 3.867 30 20 BHED C=CCC1(NC(=O)C2CC(C)(C)C2)CCCCC1 456365907 LWCBHCSZUORXSX-UHFFFAOYSA-N 249.398 3.818 30 20 BHED C=CC[C@@H](CC)NC(=O)N(C)[C@@H](C)CCCC 460765331 BPPHZGQYCCPDMR-QWHCGFSZSA-N 240.391 3.561 30 20 BHED C=C(C)CN1C[C@@H](C)C[C@@H]1c1ccccc1F 464724842 KDVTYYVHURKEHT-SWLSCSKDSA-N 233.330 3.785 30 20 BHED C=CC[C@H](CC)NC(=O)NC(CC)(CC)CC 466388391 NIOVNVNEILDFBS-LBPRGKRZSA-N 240.391 3.609 30 20 BHED C=C[C@@H]1CCCCN1Cc1ncc(C(C)(C)C)o1 489445000 KXTPRAUEQKSFFF-GFCCVEGCSA-N 248.370 3.513 30 20 BHED C=C(C)CNC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 490026431 NWFLPVTZCUCXCD-STQMWFEESA-N 237.387 3.531 30 20 BHED CCC(C#N)(CC)c1nc([C@@H](C)C(C)(C)C)no1 528128582 NNVRFFQKAGKISI-SNVBAGLBSA-N 249.358 3.801 30 20 BHED CCCCCN(CC1(C#N)CC1)[C@H](C)CCC 538350191 DUQJLKOFYYQXIN-CQSZACIVSA-N 236.403 3.971 30 20 BHED C=CCC[C@H](Nc1cccc(OC)c1)C1CC1 538510613 YTUXWISLQANKNV-HNNXBMFYSA-N 231.339 3.852 30 20 BHED C=CCC[C@H](CC)NCC[C@@H]1CCO[C@@H](C)C1 541559674 BPAVLLWINZNVMD-ZNMIVQPWSA-N 239.403 3.526 30 20 BHED C[C@H]1CCCC[C@H]1CSCCCC#N 596375646 DRVXEEOQLCHKFS-RYUDHWBXSA-N 211.374 3.850 30 20 BHED C=CCCCN(Cc1ccccc1F)C1CC1 605149697 ULYGHXYWRKCFGE-UHFFFAOYSA-N 233.330 3.756 30 20 BHED C=C(C)CN(CC1CCCCC1)C1CC1 613501951 QNVHHZQIJONGFV-UHFFFAOYSA-N 207.361 3.607 30 20 BHED C=CCC(C)(C)C(=O)NCc1cc(C)cc(C)c1 618159131 ONMZFOALOSSHJP-UHFFFAOYSA-N 245.366 3.522 30 20 BHED C[C@H](CC(C)(C)C#N)NCC1CCCCCC1 695874108 UPOPRSGKCBSXIZ-CYBMUJFWSA-N 236.403 3.875 30 20 BHED C=CCCN(CC(C)C)c1ccc(OC)cc1 739912962 ZAUTYZGZCAUSCU-UHFFFAOYSA-N 233.355 3.734 30 20 BHED C=CCCCC(=O)N[C@@H](CC)C1CCCCC1 748305183 XXHMSRKSKFNOBR-AWEZNQCLSA-N 237.387 3.818 30 20 BHED CCCCC=NNc1nccc2sccc12 755649099 APRNLEZKDWWLJZ-UHFFFAOYSA-N 233.340 3.884 30 20 BHED C#CC[C@@H](N[C@H](C)CC1CC1)c1ccccc1 773112926 BSFAXMPOFSJEAH-CZUORRHYSA-N 227.351 3.529 30 20 BHED CCON=C(C)C1(c2ccccc2)CCCC1 774359454 CJHIOSIBOCMVLN-UHFFFAOYSA-N 231.339 3.911 30 20 BHED C[C@H](NN=C1CCC[C@H]1CCCF)C(C)(C)C 793113523 GAFBBFWZIGLHNH-RYUDHWBXSA-N 242.382 3.916 30 20 BHED CON=C/C(C)=C\c1ccccc1C(F)(F)F 799875158 OVGYTIXLOYVSNB-KLMUAEJFSA-N 243.228 3.741 30 20 BHED C=CCON=C1CC(c2ccc(Cl)cc2)C1 835013208 LPGSWMIBCICIOP-UHFFFAOYSA-N 235.714 3.776 30 20 BHED C=C[C@@H](OC(=O)CCCC#CC)c1ccccc1 851451097 CJPDVKPYXREKDM-OAHLLOKOSA-N 242.318 3.651 30 20 BHED CCCCCCCC(=O)N(C)[C@H](C)C1CC1 891262890 ZSYZGYMNTRFJNN-GFCCVEGCSA-N 225.376 3.604 30 20 BHED Clc1cccc(NN=C2CC3(CCCC3)C2)n1 901246443 ZFSFBKZEZLKOSP-UHFFFAOYSA-N 249.745 3.857 30 20 BHED CC[C@H](C)C(C)=NNc1ncccc1Cl 917549340 MGBDWTZAFDQZHO-QMMMGPOBSA-N 225.723 3.569 30 20 BHED CC[C@@H]1C[C@H]1CSc1cccc(F)c1C#N 1307351250 QJBJFCPYUPDYAW-ZJUUUORDSA-N 235.327 3.836 30 20 BHED CCN(CCC(C)(C)C#N)c1cccc(C)c1F 1473736731 JEHKDVIRJCIADO-UHFFFAOYSA-N 248.345 3.900 30 20 BHED C=CCN[C@H](C)c1cc(Cl)ccc1Cl 19875860 JTTBXHWQPOMSDO-MRVPVSSYSA-N 230.138 3.830 30 20 BHED C=CCOc1ccc(CN[C@H](C)[C@@H](C)CC)cc1 42552969 VENNXVSOEJYWEP-UONOGXRCSA-N 247.382 3.776 30 20 BHED Cc1ccc(/C=C/C(=O)c2cccnc2)cc1C 44012925 IZHRTTMDDYZZBI-BQYQJAHWSA-N 237.302 3.595 30 20 BHED C[C@@H]1CC[C@H](Nc2ccc(C#N)c(Cl)c2)C1 70760705 GWLSMRKUPQATCR-KOLCDFICSA-N 234.730 3.812 30 20 BHED C#CCCCCC(=O)N1CCC[C@H](C)[C@@H]1CCC 120220193 HSUQJZUQFMEECY-GJZGRUSLSA-N 249.398 3.607 30 20 BHED C=C[C@@H](C)NCc1ccc(F)c(C(F)(F)F)c1 160158384 SZTUUSDIWNFKRG-MRVPVSSYSA-N 247.235 3.509 30 20 BHED C=CCCN[C@@H](C)c1ccccc1C(F)(F)F 164104384 UNHBOMHKYJICFJ-JTQLQIEISA-N 243.272 3.932 30 20 BHED C=CCCCC(=O)Nc1ccccc1Cl 177454913 FHQOACYGDGZYFC-UHFFFAOYSA-N 223.703 3.635 30 20 BHED CCCCCCCCCN[C@@H]1CCO[C@H](C)C1 223017185 SKXJIUXXHLSZBG-HUUCEWRRSA-N 241.419 3.894 30 20 BHED CCCCCSc1nc(C)cc(C)c1C#N 223623887 MSTZPHBNMWKMFT-UHFFFAOYSA-N 234.368 3.852 30 20 BHED Cc1cccnc1CSCCC(C)(C)C#N 276579104 GMQZDZNNKLVGIV-UHFFFAOYSA-N 234.368 3.563 30 20 BHED C[C@@H]1CCC[C@H](COc2cccc(C#N)c2)C1 302472160 ZMDHRMLTHFBVSR-OCCSQVGLSA-N 229.323 3.763 30 20 BHED C=CCN1CCCCC[C@@H]1c1ccc(C)o1 303758889 NVHKJZZGLZAQSE-CYBMUJFWSA-N 219.328 3.691 30 20 BHED C=CCCC[C@@H](C)Nc1ccc(Cl)cn1 308825246 ADMJPVJSLVWEIU-SNVBAGLBSA-N 224.735 3.892 30 20 BHED C=C(C)CNC1(c2ccc(Cl)cc2)CCC1 309691489 PWTASTQNJBWIML-UHFFFAOYSA-N 235.758 3.885 30 20 BHED C=CCCC[C@H](C)Nc1ccc([N+](=O)[O-])s1 309798960 VZYNCEZGHYNVKC-VIFPVBQESA-N 240.328 3.813 30 20 BHED C=CCCSCc1ncc(Cl)s1 336634809 YQLLEXGVCXTAQZ-UHFFFAOYSA-N 219.762 3.606 30 20 BHED C[C@@H]1CC[C@H](Sc2ccccc2C#N)C1 338553919 QPMOZWDZTAFLDO-PWSUYJOCSA-N 217.337 3.839 30 20 BHED C[C@H]1CC(C)(C)C[C@H]1NCC(C)(C)CCC#N 348244235 NAWVPCAEVDVECA-QWHCGFSZSA-N 236.403 3.731 30 20 BHED CCc1cc(NCCC(C)(C)C#N)ccc1C 383159192 IQTMBKBWCPYDKK-UHFFFAOYSA-N 230.355 3.909 30 20 BHED C=CC(C)(C)CN[C@H]1CCC[C@H](C(F)(F)F)C1 384930473 HIQYHOKMDPXOBZ-QWRGUYRKSA-N 249.320 3.909 30 20 BHED C=CCC[C@H](CC)N[C@@H]1C[C@H]1C1CCC1 424337726 ZWIZRSHEQQRFBA-MELADBBJSA-N 207.361 3.509 30 20 BHED C=CCC1(C(=O)N2CC[C@@H](C)[C@H]2C)CCCCC1 450037410 FYQCGKMDAMSQKN-ZIAGYGMSSA-N 249.398 3.770 30 20 BHED C=CCC1(C(=O)N(C)C2CC(C)(C)C2)CCCC1 458206109 UKAUTRRNHSXNHR-UHFFFAOYSA-N 249.398 3.770 30 20 BHED C=C[C@H]1CCCCN1C(=O)C[C@@H](C)CC(C)C 488879769 SCIVRNHFHPOKRZ-KBPBESRZSA-N 237.387 3.626 30 20 BHED C=CCC(C)(C)CNC(=O)CC[C@@H](C)CC 490002970 HDLCKNGIAFUKFS-LBPRGKRZSA-N 225.376 3.531 30 20 BHED C=CC[C@@H](CC)NC(=O)Nc1ccc(CC)cc1 500104349 OFHBTEFGMFPTOQ-CYBMUJFWSA-N 246.354 3.725 30 20 BHED C=CCCCNc1c(F)ccc(OCC)c1F 533957564 LPTIIZYJPKRCON-UHFFFAOYSA-N 241.281 3.742 30 20 BHED C=C[C@@H]1CCCCN1Cc1sccc1Cl 558827252 UQPFZCPFQSADDV-SNVBAGLBSA-N 241.787 3.942 30 20 BHED C[C@H](N[C@@]1(C)CC1(C)C)c1ccc(C#N)c(F)c1 595102149 KNRHBHJUTLDZOC-BONVTDFDSA-N 246.329 3.537 30 20 BHED C=C(C)CN(CCC)Cc1ccccc1F 621296881 PRPWURHMDHFQPG-UHFFFAOYSA-N 221.319 3.614 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cc2ccncc2s1 657918003 HLBCAFNVJOVFAY-WDEREUQCSA-N 246.379 3.912 30 20 BHED C=CCCCOC(=O)CCC1CCCCC1 735524095 YCGADLJMCLYWQM-UHFFFAOYSA-N 224.344 3.856 30 20 BHED C=CCCOC(=O)c1cc2cc(C)c(C)cc2o1 745581931 RNEYEGLYAYNXQC-UHFFFAOYSA-N 244.290 3.783 30 20 BHED COc1ccccc1/C=C1/CCCC(C)(C)C1=O 757534540 LWSOWAQGKMJCPW-QBFSEMIESA-N 244.334 3.858 30 20 BHED CCC(=NOC1CCCC1)c1ccc(C#N)cc1 773080180 PNOCNBNQMAHIAV-UHFFFAOYSA-N 242.322 3.632 30 20 BHED C#CCCCSC[C@@H](C)c1ccccc1 778045115 NQAXUNMJMDUALA-CYBMUJFWSA-N 218.365 3.937 30 20 BHED CC(=NNc1cc(C)cc(C)c1)[C@@H]1CCCOC1 779763599 RUKJRCVWWAGOSG-CQSZACIVSA-N 246.354 3.518 30 20 BHED CCCNN=C(C)c1cc2ccccc2s1 780211436 JAORCQGFLYTLDJ-UHFFFAOYSA-N 232.352 3.625 30 20 BHED CC[C@@H](C)NN=Cc1ccc(C(C)C)cc1 790182635 FLGWJVPZVQINNM-GFCCVEGCSA-N 218.344 3.532 30 20 BHED CCc1ccc(N(CCCC#N)C(C)C)cc1 810032428 SAYPQOFNBUCKPM-UHFFFAOYSA-N 230.355 3.768 30 20 BHED CCC(C=NO[C@@H]1CCCCO1)(CC)CC 814887973 USJQCOMEEPVVBN-GFCCVEGCSA-N 227.348 3.732 30 20 BHED C=C[C@](C)(CC)C(=O)O[C@@H](CC)c1ccncc1 839446851 ZNEMSAAGHKTRJQ-DZGCQCFKSA-N 247.338 3.678 30 20 BHED CC(=NOC1CCC1)[C@@H]1C[C@H]1c1cccs1 841639263 OSDWWPWSQRXXSY-NWDGAFQWSA-N 235.352 3.797 30 20 BHED CC1=C(C)C[C@H](C(=O)O[C@H](C#N)C(C)(C)C)CC1 842753594 IBWPJPCIPRZACT-CHWSQXEVSA-N 249.354 3.604 30 20 BHED C=C[C@H](C)ON=C1CC[C@H]1c1ccccc1 844625477 MKMBZJOULBBGIK-AAEUAGOBSA-N 215.296 3.511 30 20 BHED C=C(CN[C@@H](C)CC(C)(C)C#N)c1ccccc1 924841923 OMLZKZOBMCSHSU-AWEZNQCLSA-N 242.366 3.618 30 20 BHED CC(C)N(CCCCC#N)CCc1ccccc1 1115973600 UVLHFKJKINTYEQ-UHFFFAOYSA-N 244.382 3.633 30 20 BHED C=C(CC)C(=O)N[C@@H](c1ccccc1C)C1CC1 1346497119 ZEZVWRRUUIACNE-OAHLLOKOSA-N 243.350 3.529 30 20 BHED CC(C)N(CCC#N)Cc1ccc(Cl)s1 42530714 YGOFZQRIKUCHOI-UHFFFAOYSA-N 242.775 3.526 30 20 BHED CCC1CCC(CNc2cccc(C#N)n2)CC1 81595625 MSENCIRAHUSXTF-UHFFFAOYSA-N 243.354 3.582 30 20 BHED CC(C)(C#N)CCNc1cccc(Cl)c1F 83637991 LCVYLEBLSULJCR-UHFFFAOYSA-N 240.709 3.831 30 20 BHED C=CCC[C@@H](N[C@H](C)CCOC)c1ccccc1 90580597 HJRGXUNIBDTEGF-GDBMZVCRSA-N 247.382 3.709 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc(SC)c(F)c1 119330006 IZMSWYUHKOLNGP-NXEZZACHSA-N 239.359 3.773 30 20 BHED Cc1ccc(C(=O)/C=C/c2ccccc2C#N)cc1 120629020 ZEYTZCZJSZPZAV-ZHACJKMWSA-N 247.297 3.763 30 20 BHED C=C(Cl)CN[C@@H](CC)c1cc(F)ccc1F 129770717 NEJWCAGLRHPBGG-LBPRGKRZSA-N 245.700 3.758 30 20 BHED C=C(Cl)CN[C@@H]1c2ccccc2CC[C@@H]1C 132264270 IAIQPSNZPCAZPB-HZMBPMFUSA-N 235.758 3.652 30 20 BHED CCC(CC)Nc1ccccc1O[C@@H](C)C#N 162265703 HKAISDYJDDMTRN-NSHDSACASA-N 232.327 3.578 30 20 BHED C=C(C)CCNc1ccc(Br)cc1 168948568 DBQPIIRYPHRUNR-UHFFFAOYSA-N 240.144 3.827 30 20 BHED C#CCCCCC(=O)Nc1cccc(SC)c1 179646482 JYIMJOVNMBPECF-UHFFFAOYSA-N 247.363 3.541 30 20 BHED C=CCCCC(=O)Oc1c(F)cccc1Cl 179943268 ZAYTUIHJIYUQHY-UHFFFAOYSA-N 242.677 3.741 30 20 BHED C=CC[C@H](C)N[C@H]1CSCCc2ccccc21 180953730 HQQSHJOFOKSNHH-WFASDCNBSA-N 247.407 3.571 30 20 BHED Cc1cc(C#N)ccc1CSCCOC(C)C 186082788 XFVHQYWLUDEBOW-UHFFFAOYSA-N 249.379 3.525 30 20 BHED C=CC[C@H](C)N[C@H](C)c1csc(C(C)C)n1 186408416 JVCOFZBIIQUMSO-WDEREUQCSA-N 238.400 3.882 30 20 BHED C=C[C@@](C)(CC)c1nc(-c2cccs2)no1 191158174 FTAJANAHXFLSOG-LBPRGKRZSA-N 234.324 3.652 30 20 BHED C#CCCCC(=O)Oc1ccccc1[C@@H](C)CC 192063606 PIPHBCGHAXMTIS-ZDUSSCGKSA-N 244.334 3.909 30 20 BHED N#CCCCCN1CC[C@H]1c1ccc(Cl)cc1 267341440 LOBQVCCMWCXUNK-AWEZNQCLSA-N 248.757 3.781 30 20 BHED C[C@H](CCC#N)N[C@H](C)c1ccc(Cl)cc1 276327348 QESCGKDWGKCFIH-GHMZBOCLSA-N 236.746 3.683 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)CCC1CC1 308896902 ZUIKNQOQVMVYKF-STQMWFEESA-N 209.377 3.900 30 20 BHED C[C@@H]1CCC[C@@H](NC2CCC(C)(C#N)CC2)C1 336214308 GUALFCDTJIIXDS-FEWQNLEASA-N 234.387 3.627 30 20 BHED CC(C)C[C@@H](NCC1(C#N)CC1)c1cccs1 347620081 XVVSQDZJYIDMKK-GFCCVEGCSA-N 248.395 3.729 30 20 BHED N#CCCSCc1cccc(C(F)F)c1 413010473 GTIDNXUVRAUODF-UHFFFAOYSA-N 227.279 3.771 30 20 BHED C[C@@H]1CCC[C@@H](CCSCCC#N)C1 413016622 WSBFQRKXHKVKDB-NEPJUHHUSA-N 211.374 3.850 30 20 BHED C=CCC(C)(C)c1nc(-c2ccccc2C)no1 426344685 BNNZEDFVJRPNAE-UHFFFAOYSA-N 242.322 3.899 30 20 BHED C=CCC1(C(=O)NCc2ccsc2)CCCC1 449599535 GVOTUACORSTWIV-UHFFFAOYSA-N 249.379 3.501 30 20 BHED C=CCC(C)(C)C(=O)N1CCCc2ccccc21 459792443 IBDSTBPOIMJTNX-UHFFFAOYSA-N 243.350 3.568 30 20 BHED C=C[C@](C)(CC)C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 467940196 ZMLHHGBESSVBQT-RZLSGREXSA-N 249.398 3.531 30 20 BHED C=C(C)CCc1noc(/C=C2\CC[C@@H](C)C2)n1 508596640 UJJOQYRFQYYYRJ-LWMMSDEHSA-N 232.327 3.782 30 20 BHED CCCC[C@H](CC)CN1CCC(F)(C#N)CC1 510918749 GMFDKZKVHGASMW-ZDUSSCGKSA-N 240.366 3.530 30 20 BHED CCC[C@@H](C)CN(C)Cc1cc(C#N)ccc1F 561253973 FZQAEEFHOQHVJM-GFCCVEGCSA-N 248.345 3.565 30 20 BHED C=CCCCCOc1cc(OC)ccc1C(C)=O 565521749 ZWAYXCMGHVYZCV-UHFFFAOYSA-N 248.322 3.633 30 20 BHED C=CC[C@@H](CC)NC(=O)Nc1csc(C)c1 640642107 DAGQHUGNROWZDO-SNVBAGLBSA-N 238.356 3.533 30 20 BHED C=C(C)CN(CC)C(=O)c1ccc(C2CC2)cc1 666259231 DGGIQXMGYCBQLX-UHFFFAOYSA-N 243.350 3.602 30 20 BHED C=CCCN(CC)c1ccc(C)cc1C 739905921 ZKMICWSYICXFDD-UHFFFAOYSA-N 203.329 3.706 30 20 BHED C#CCCN(CCC)[C@@H](CC)c1ccccc1 760820063 NTSQSKJMEMUQEK-INIZCTEOSA-N 229.367 3.873 30 20 BHED C=CCC[C@@H](CCC)NCc1ccc(C#N)cc1 765013313 HATFDIXVVUNWIV-MRXNPFEDSA-N 242.366 3.783 30 20 BHED C#CCCCCNCc1cccc(CCC)c1 775310300 MPWCPAUSIQVLMH-UHFFFAOYSA-N 229.367 3.532 30 20 BHED C#CCCCCCC(=O)OCc1ccccc1C 780254485 AAMQAMRBDYSGKR-UHFFFAOYSA-N 244.334 3.622 30 20 BHED CC[C@@H](C)NN=C1CC[C@@](C)(c2ccccc2)C1 790191737 WQAVWDRPHOESKC-CZUORRHYSA-N 244.382 3.872 30 20 BHED CC(C)SCCSc1cccc(C#N)c1 800836384 ROSGRAHNOHSFMR-UHFFFAOYSA-N 237.393 3.792 30 20 BHED C=CCCC[C@H](C)NC(=O)C1(F)CCCCC1 810910539 PBFSPWNLGHKFTE-LBPRGKRZSA-N 241.350 3.520 30 20 BHED C=CCCCCOC(=O)[C@H](F)c1ccccc1 811012014 UNAXCWJQDKNVBG-CYBMUJFWSA-N 236.286 3.597 30 20 BHED C=CCCCCCCCNC(=O)c1c[nH]cc1C 811590213 SVMBCDNJYWTBBV-UHFFFAOYSA-N 248.370 3.580 30 20 BHED Cc1ccc(F)c(NN=C2CC[C@H]2C2CC2)c1 814872295 JKCRSPUNCROLDD-NSHDSACASA-N 232.302 3.722 30 20 BHED C[C@@H](NN=C1CCCC(C)(C)C1)c1ccncc1 819816784 OYCGZGCJWZPDHW-GFCCVEGCSA-N 245.370 3.688 30 20 BHED C=C(C)CCNCc1ccc2ccccc2c1O 824750481 KZVGXSBPPWDDOZ-UHFFFAOYSA-N 241.334 3.601 30 20 BHED CC(=NNc1ccnc(F)c1)[C@@H]1CCCC[C@@H]1C 834972567 DERVQPDFISJXCW-GXFFZTMASA-N 249.333 3.835 30 20 BHED C=CCCCCOc1c(F)cc(C=O)cc1F 842033948 JSRSHMPTDKFLSW-UHFFFAOYSA-N 240.249 3.512 30 20 BHED C=CCN(Cc1ccc(Cl)nc1)C(C)(C)C 852553921 VYDFWMVTJFBJNY-UHFFFAOYSA-N 238.762 3.522 30 20 BHED CC[C@H](NC[C@@H]1C=CCC1)c1cccc(C#N)c1 903087939 ODWHJRXAJAAVSQ-CJNGLKHVSA-N 240.350 3.565 30 20 BHED Cc1cc(C)cc(C=NNc2ccc(F)cc2)c1 921251444 LQVUPIWFGAZNIT-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C[C@@H](c1ccccc1Cl)N1CCC[C@@H](C#N)C1 932159076 UHXGNHQDESLOCR-RYUDHWBXSA-N 248.757 3.637 30 20 BHED CC(C)(C)ON=C1CCC[C@@H]1c1ccccn1 1322041083 RQFVLWANQWWLHS-LLVKDONJSA-N 232.327 3.520 30 20 BHED C=C(C)CCNC(=O)C[C@@H](C)CCCCC 1324820285 OSRKVAQHGBFBCV-ZDUSSCGKSA-N 225.376 3.675 30 20 BHED C[C@H](CCC#N)CN1CCC[C@H](C(C)(C)C)C1 1560785950 OXPXBIWDIXIDDT-KGLIPLIRSA-N 236.403 3.684 30 20 BHED Cc1ccc2c(c1)N(C[C@H](C)CCC#N)CCC2 1658803711 XUVHUZHAMLQMTA-CQSZACIVSA-N 242.366 3.688 30 20 BHED N#Cc1ccccc1OCC1CCCCC1 19805284 AIZJEHPBDJHVNH-UHFFFAOYSA-N 215.296 3.517 30 20 BHED Cc1cc([C@H](C)Nc2ccc(C#N)cc2)c(C)o1 20438303 HGAGHBBHIGNGOG-NSHDSACASA-N 240.306 3.941 30 20 BHED C[C@@H]1CCC[C@@H](N(C)c2ccc(C#N)cc2)C1 42249882 AIBWWJABJHBWEM-IUODEOHRSA-N 228.339 3.573 30 20 BHED CCOc1ccc(OCCCC(C)(C)C#N)cc1 57713558 BKMFTAWLITZSKJ-UHFFFAOYSA-N 247.338 3.794 30 20 BHED Cc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1 78701788 ONRHRWDCYQMYNG-KTKRTIGZSA-N 238.286 3.597 30 20 BHED C=C(C)CNc1ccc(C#N)c(C(F)(F)F)c1 88191539 KTUFVDOWPRQUEH-UHFFFAOYSA-N 240.228 3.565 30 20 BHED CCOc1cccc(C2=CC(C)(C)CCC2=O)c1 91692791 QOKCDNHEYTZQPC-UHFFFAOYSA-N 244.334 3.858 30 20 BHED CC[C@@H](C)CN(CC)Cc1cc(C#N)ccc1F 93250952 OOCOPMWXDWUMFO-GFCCVEGCSA-N 248.345 3.565 30 20 BHED N#Cc1oc2ccc(O)cc2c1-c1ccccc1 98179729 HQOWJSKZKVYUOY-UHFFFAOYSA-N 235.242 3.677 30 20 BHED C=CC[C@@H](C(=O)O)c1ccc(Cl)c(Cl)c1 114250124 KPZNUENYSGBIBF-MRVPVSSYSA-N 245.105 3.738 30 20 BHED CC[C@H]1CCCC[C@@H]1N(C)CCC(C)(C)C#N 120725638 YQNAOWJVWXCKMB-KBPBESRZSA-N 236.403 3.827 30 20 BHED C=C[C@H](C)N[C@@H]1C[C@H](C)c2c(C)cccc21 127891251 PVJKSTDMBWASLD-SGMGOOAPSA-N 215.340 3.707 30 20 BHED C=C(Br)CN[C@H](CC)C[C@H](C)CC 133320579 SOZDQROJJOYZTB-MWLCHTKSSA-N 248.208 3.699 30 20 BHED CC#CCCN(C)[C@@H](C)c1cc2ccccc2o1 155015024 CGRNWDBHKGOBEU-ZDUSSCGKSA-N 241.334 3.839 30 20 BHED C#CCCCN[C@H](CC)c1cccc(Cl)c1 173451762 DPGWWNIGTYJXFX-CQSZACIVSA-N 235.758 3.794 30 20 BHED Cc1cc(F)ccc1N[C@@H]1CCC[C@H](C#N)C1 185733039 HUGBGVYVOPYOOF-WCQYABFASA-N 232.302 3.628 30 20 BHED CC[C@H](NCCCCC#N)c1cccc(F)c1 187950812 LEIUGIRDPFYJIE-AWEZNQCLSA-N 234.318 3.560 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cc(C)ccc1C 189747304 BIRFCRKWSCTEOA-OAHLLOKOSA-N 231.339 3.844 30 20 BHED C[C@H]1CC(Nc2cc(F)cc(C#N)c2)C[C@H](C)C1 227620224 SFAZPUBVPOTZRF-GHMZBOCLSA-N 246.329 3.934 30 20 BHED CC(C)[C@@H](C)SCCOc1ccccc1C#N 231193450 SRSKJCLJWWKTBZ-GFCCVEGCSA-N 249.379 3.715 30 20 BHED C=CCN(CCCCC)Cc1cccs1 248267799 OZFONLSXJARYGU-UHFFFAOYSA-N 223.385 3.926 30 20 BHED C[C@H](N[C@@H]1CCC[C@H]1C)c1ccc(C#N)c(F)c1 271982097 XEBLFEKYAODMQL-JRPNMDOOSA-N 246.329 3.537 30 20 BHED C=CCCCCN[C@H](C)c1cccc(C#N)c1 274415627 FQUDFVRMQFSOMQ-CYBMUJFWSA-N 228.339 3.565 30 20 BHED C[C@H](N[C@@H]1CCC1(C)C)c1ccc(C#N)c(F)c1 286883682 CNRDICRQVLDJCD-IINYFYTJSA-N 246.329 3.537 30 20 BHED N#Cc1ccc(Oc2ccc(Cl)cc2F)nc1 301058178 BRELJCUJPWJECS-UHFFFAOYSA-N 248.644 3.538 30 20 BHED C=C(C)CNc1ccc(OC(F)F)c(Cl)c1 309527611 CRNJGVSPBXWZSF-UHFFFAOYSA-N 247.672 3.929 30 20 BHED C[C@@H]1CCCC[C@H]1CNc1cccc(CC#N)c1 313412195 RWBIJEHVBHZOQO-HIFRSBDPSA-N 242.366 3.991 30 20 BHED C=C(CC)CN[C@H](C)c1cnc2ccsc2c1 313493732 GFJUQKZHWAQRRS-LLVKDONJSA-N 246.379 3.913 30 20 BHED C=CC[C@H](CC)NCc1ccsc1C 339387077 HHRIRZXBRYAIMC-LBPRGKRZSA-N 209.358 3.501 30 20 BHED C=CCC(C)(C)CN[C@H](C)Cc1ccsc1 393496161 PVQWFUDQLMOGHN-GFCCVEGCSA-N 237.412 3.871 30 20 BHED C=CCC[C@@H](CCC)N[C@@H]1CCC[C@@H]1F 393520243 NYMPVWXUNMCAOE-FRRDWIJNSA-N 213.340 3.602 30 20 BHED C=CCC(C)(C)C(=O)N(CC)CC(CC)CC 432000435 SQHNFIXOXIOEFG-UHFFFAOYSA-N 239.403 3.873 30 20 BHED C[C@H](N[C@H]1CCC[C@@H](C#N)C1)[C@H]1CCC[C@@H](C)C1 449765657 JVWLCVAUPMFVJU-LEOABGAYSA-N 248.414 3.873 30 20 BHED CCC1(NCc2ccc(F)cc2C#N)CCCC1 451275019 LJZWSZQJEWULMP-UHFFFAOYSA-N 246.329 3.510 30 20 BHED C=CCCN(C)C(=O)CC1CCC(C)(C)CC1 466634971 SMMOKBQPOAJZMZ-UHFFFAOYSA-N 237.387 3.627 30 20 BHED CC(C)(C#N)CNCc1ccc(C2CCC2)cc1 512445275 YQBLGWJTXIIUEE-UHFFFAOYSA-N 242.366 3.593 30 20 BHED CCCCCCOc1ccc(OC)cc1C#N 514260916 FWWADZHAOHDCAD-UHFFFAOYSA-N 233.311 3.526 30 20 BHED C=C(CC)CN1CCC[C@@H](Nc2ccccc2)C1 539116158 OMAGKLXQURCWIC-MRXNPFEDSA-N 244.382 3.529 30 20 BHED COc1c(C)ccc(NC[C@H](C)CCC#N)c1C 602494902 QORMQIHASPJRFI-LLVKDONJSA-N 246.354 3.664 30 20 BHED Cc1cc(C)cc([C@@H](C)NC[C@H](C)CCC#N)c1 602540194 XDJKKJMIFXCJEZ-IUODEOHRSA-N 244.382 3.894 30 20 BHED CCN(Cc1ccccc1C1CC1)C[C@H](C)C#N 611261113 SCDVECQVCCGTHS-CYBMUJFWSA-N 242.366 3.546 30 20 BHED C=CCC1(N[C@H](CC)CCCC)CCOCC1 668551318 KAEZEIRFGJUPPE-CQSZACIVSA-N 239.403 3.670 30 20 BHED C=CC[C@H](C)C(C)=NNc1ccccc1 727779775 VFHBDMBDQRCMPR-NSHDSACASA-N 202.301 3.687 30 20 BHED CCC1(C)CCC(=NNC2CCCC2)CC1 751525985 KSEQOBNLNROOTJ-UHFFFAOYSA-N 222.376 3.865 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C(C)=C(\C)CC 780034888 ZQHXKDNYDJYKCM-RVROTUBLSA-N 223.360 3.594 30 20 BHED CCC(CC)=NNc1ccc(C#N)c(Cl)c1 783878213 RHTXLICTTWACKQ-UHFFFAOYSA-N 235.718 3.800 30 20 BHED Clc1cccc(NN=C2CCC3(CC2)CC3)n1 793160795 DUMKUZVRJSZDSU-UHFFFAOYSA-N 249.745 3.857 30 20 BHED CCCC[C@@H](C)[C@@H](C)NCc1ccc(C#N)cc1 808676835 LRCNRFCDNUDHJZ-ZIAGYGMSSA-N 244.382 3.863 30 20 BHED CC(CCCC(C)C)=NNC[C@@H]1CCSC1 811661058 XVVHWHRWLNOAAO-ZDUSSCGKSA-N 242.432 3.531 30 20 BHED COc1ccc(C)cc1C(C)=NOCCC1CC1 814245174 KRQYZZUGNFKVAO-UHFFFAOYSA-N 247.338 3.544 30 20 BHED CCC(C[C@@H](C)CC)=NN[C@@H](C)C(F)(F)F 834995993 MZTNDBPFELKNQX-IUCAKERBSA-N 238.297 3.729 30 20 BHED CC(Cc1nc2ccccc2s1)=NOC(C)C 834999514 CODIDNOSGOYZCE-UHFFFAOYSA-N 248.351 3.640 30 20 BHED CCC(=NNc1ccc(Cl)nc1)[C@H]1C[C@H]1C 841627734 BBBVSLQBJDAMPX-SCZZXKLOSA-N 237.734 3.569 30 20 BHED C=C(C)CON=C1CCCC12CCCC2 844619155 CMMKPXCGUBFJPW-UHFFFAOYSA-N 207.317 3.679 30 20 BHED Cc1cc(Cl)c(NC(=O)C#CC(C)C)cc1C 854744838 DCTJUVFVMJGMLU-UHFFFAOYSA-N 249.741 3.555 30 20 BHED C=CCCC(C)(C)NC(=O)/C(C)=C(\C)CC 856374093 MNFDOGZKWUNMMD-VAWYXSNFSA-N 223.360 3.594 30 20 BHED C[C@@H]1CCCCC1=NNc1ncccc1Cl 917548733 FNDJURSFNJKKCQ-SECBINFHSA-N 237.734 3.713 30 20 BHED Fc1cccc(NN=C/C=C\c2ccco2)c1 920386165 SKOGFOJQHQGBAD-POGKRSPNSA-N 230.242 3.530 30 20 BHED C=C(CC)CSCc1ncoc1C(C)C 1116469762 GPBNTDIJGCRFCO-UHFFFAOYSA-N 225.357 3.997 30 20 BHED C=C(CC)C(=O)N1CC[C@@H]1c1ccc(Cl)cc1 1123737210 SDNBEHZGFCZDFD-CYBMUJFWSA-N 249.741 3.580 30 20 BHED C[C@@H](NCC(C)(C)CC#N)[C@@H]1CC2CCC1CC2 1206224671 UKJOZSBXASJEDC-URGYJCLVSA-N 248.414 3.731 30 20 BHED CC(C)(C)ON=C[C@@H]1C[C@H]1c1ccccc1 1253789895 XVMDKAGRPNNAIS-STQMWFEESA-N 217.312 3.591 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)C[C@@H]1C=CCCC1 1336760181 PDFSMQZYBPTTCE-HUUCEWRRSA-N 247.382 3.690 30 20 BHED CCCON=C(C)c1ccccc1SC 1345932671 ZPNUXBFDOSSXBO-UHFFFAOYSA-N 223.341 3.559 30 20 BHED N#Cc1ccc2c(c1)CCCN2CCC1CCC1 1643240861 PTZHAYPMYSYHEI-UHFFFAOYSA-N 240.350 3.501 30 20 BHED C#CCCCCN[C@H](C)[C@@H](C)c1ccccc1 90399129 ZDWXVBJLONQFPD-HUUCEWRRSA-N 229.367 3.572 30 20 BHED C=CCC[C@@H](NC[C@]1(C)CCCS1)C1CC1 121655772 ZKKBIMLVOXGRJW-KGLIPLIRSA-N 239.428 3.607 30 20 BHED C=CCC[C@@H](C)N[C@H]1CCCCC1(C)C 126863776 QNDCCRWQQAGTEG-OLZOCXBDSA-N 209.377 3.900 30 20 BHED CC[C@H]1CCC[C@@H](NCc2ccc(C#N)s2)C1 135693350 ZMBRGWHCRVNIHH-NWDGAFQWSA-N 248.395 3.678 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cc(C)c(C)cc1C 157298059 SLMXXWZSKJMELZ-ZIAGYGMSSA-N 217.356 3.837 30 20 BHED Cc1cc(F)ccc1OCCCC(C)(C)C#N 162053097 YERDXGIDOCECPG-UHFFFAOYSA-N 235.302 3.843 30 20 BHED C#CCCCC(=O)N[C@@H]1CCC[C@H]1CCC(C)C 192109341 NSVGCAWUNKKGKU-LSDHHAIUSA-N 249.398 3.511 30 20 BHED CC[C@H](S)c1cccc(Br)c1 234041489 RWFBGTVFTGHWBA-VIFPVBQESA-N 231.158 3.830 30 20 BHED CC(C)[C@H]1C[C@H](NCCCC#N)c2ccccc21 278888325 YKWKNKIMXNKOJJ-CVEARBPZSA-N 242.366 3.764 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(C)o1 281571605 KMLQKXQTUCUXJS-NWDGAFQWSA-N 207.317 3.593 30 20 BHED C=CCCC(=O)N[C@@H](C)c1cccc(C2CC2)c1 295437677 FEGUPTHBOIEARZ-LBPRGKRZSA-N 243.350 3.707 30 20 BHED CC[C@@H](Nc1ccc(CC#N)cc1)C1CCC1 322430003 BSHQHMXPJIHTQU-OAHLLOKOSA-N 228.339 3.743 30 20 BHED Cc1csc(N=C(O)[C@H]2C[C@H]2C2CC2)c1C#N 329591422 YXRMVXSCBAWSRZ-UWVGGRQHSA-N 246.335 3.562 30 20 BHED Cc1ocnc1/C(O)=N/C(C)(C)CC(C)(C)C 330437544 NFDZQFLYEQSBHX-UHFFFAOYSA-N 238.331 3.502 30 20 BHED CC(=O)[C@H](C)SCCC1(C#N)CCCCC1 413002880 VKUUBUPWTKSVMU-LBPRGKRZSA-N 239.384 3.561 30 20 BHED C=C(C)CN(C)Cc1ccc(C(F)(F)F)s1 432926061 VUCLPNVOAXFUHM-UHFFFAOYSA-N 249.301 3.775 30 20 BHED CC[C@@H](F)CSCc1ccc(C#N)cc1F 442543767 AKPYWQPSHIFWNU-LLVKDONJSA-N 241.306 3.679 30 20 BHED C=CCCCC[C@H](C)NCCC(C)(F)F 449355215 WYOBSMKAFOJMLP-NSHDSACASA-N 219.319 3.756 30 20 BHED CCC[C@@H](NCC1(C#N)CCC1)c1ccccc1 450661987 PCDGIOXKOTZTGW-OAHLLOKOSA-N 242.366 3.811 30 20 BHED C=CCCN(C)C(=O)C1(CC=C)CCCCC1 451061341 KVKQVHRLACKWCX-UHFFFAOYSA-N 235.371 3.548 30 20 BHED CCC[C@@H](NCCC(C)(C)C#N)C(C)(C)C 451441068 RBIJXIUBEFGGED-GFCCVEGCSA-N 224.392 3.731 30 20 BHED CC(C)(CC#N)CN[C@@H]1CCCC12CCCC2 459738819 YBGMPXYCEMMMAX-CYBMUJFWSA-N 234.387 3.629 30 20 BHED C=CCCCCCN[C@H]1CCC[C@@H]2C[C@H]12 459777764 LQIHVJAKMMXHQU-RDBSUJKOSA-N 207.361 3.511 30 20 BHED CC#CCCN(Cc1ccccc1)[C@H](C)CC 462322369 ZZPOLOQBCQGIDU-OAHLLOKOSA-N 229.367 3.701 30 20 BHED CC#CCCN(C)[C@@H](C)c1cccc(Cl)c1 462326391 KSYQNYQHQZMCLI-LBPRGKRZSA-N 235.758 3.746 30 20 BHED C=CCCN(C)[C@@H](CC)c1ccc(F)cc1F 467286394 UQXGSAFKPSMGJR-AWEZNQCLSA-N 239.309 3.924 30 20 BHED C=C(C)CN1C[C@@H](c2ccc(C)cc2)C[C@H]1C 490065654 KMVPJTFJQHCINO-ZBFHGGJFSA-N 229.367 3.749 30 20 BHED C=CCC(C)(C)c1noc([C@H]2C[C@]2(C)CC)n1 556363354 XFBOJAFBCIZINC-YGRLFVJLSA-N 234.343 3.827 30 20 BHED N#CC1(CSc2nccc3ccccc23)CC1 592359471 RAHFTQUFOAUXBK-UHFFFAOYSA-N 240.331 3.631 30 20 BHED CC[C@H](CSCC1(C#N)CC1)CC(F)F 596390791 DXFUHVRRWWDOJC-VIFPVBQESA-N 233.327 3.705 30 20 BHED C[C@@H](CCC#N)CNCCC1=CCCCCC1 602610052 DOKJKLWKCIKACO-AWEZNQCLSA-N 234.387 3.796 30 20 BHED C=CCCN(Cc1ccc(C#N)cc1)CC(C)C 610080235 GYWAIYKPWSSKBE-UHFFFAOYSA-N 242.366 3.592 30 20 BHED C=CC[C@@H](C)NC(=O)N[C@H](C)CCCCCC 735089677 AJNSRTXVXVNXPS-CHWSQXEVSA-N 240.391 3.609 30 20 BHED C(=NNc1nc2ccccc2s1)C1CCCC1 741837750 MPIIJCZVPVIYAH-UHFFFAOYSA-N 245.351 3.884 30 20 BHED CC[C@@H](C)C(C)=NNc1oc(C(C)C)nc1C#N 745624850 OLSSKXLTKGZHHQ-SECBINFHSA-N 248.330 3.504 30 20 BHED CC(C)C(=NNc1cccc(F)c1)C1CC1 750936447 SIRSEEJHDMUMIR-UHFFFAOYSA-N 220.291 3.660 30 20 BHED CCCCCCCCNC(=O)C=C1CCC1 754848525 BJUZNAAUMSUXQD-UHFFFAOYSA-N 223.360 3.573 30 20 BHED CCCCCC=NNc1cc(F)cc(OC)c1 755767578 BGYSVLASRNZTJH-UHFFFAOYSA-N 238.306 3.812 30 20 BHED C#CCCCN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 766904208 XTOUQWKHLJPAAY-XJKSGUPXSA-N 245.341 3.622 30 20 BHED CCCCCCCC(=O)OCc1ncccc1C 771917298 FGRRNJWOSBNMDI-UHFFFAOYSA-N 249.354 3.794 30 20 BHED C#CCCSCc1ccccc1C1CC1 786055842 LERQXYWWAKYWSJ-UHFFFAOYSA-N 216.349 3.821 30 20 BHED CC[C@H](C)C(C)=NOCc1ccccc1OC 799117736 OEVUISXIHBLOGK-NSHDSACASA-N 235.327 3.634 30 20 BHED C=CCCCCSCc1cnoc1C 853775589 XAKRSYVOIOWCFT-UHFFFAOYSA-N 211.330 3.573 30 20 BHED Cc1cccc(NN=C2CCC[C@@H]2CCCF)n1 863160272 XJWFITCIMVTDQA-GFCCVEGCSA-N 249.333 3.708 30 20 BHED Cc1cccc(NN=Cc2ccc(Cl)o2)c1 864339464 BUPLHWGZKNSJIR-UHFFFAOYSA-N 234.686 3.687 30 20 BHED C=CC[C@H](C)N[C@H](CC)c1cccc(C#N)c1 902867158 AHMJHVVMDDIPIR-SWLSCSKDSA-N 228.339 3.564 30 20 BHED CC[C@H](NCC1(C#N)CCC1)c1cccc(C)c1 903035194 KUASWYBMCQXZFD-HNNXBMFYSA-N 242.366 3.730 30 20 BHED C=CCC[C@@H](CC)N[C@@H](c1ccccn1)C1CC1 903338471 IEJSFROEAYFUTH-GDBMZVCRSA-N 244.382 3.867 30 20 BHED C=CC(C)(C)Cc1nc(-c2ccccc2C)no1 904560906 AZDVZLVUOSKNTE-UHFFFAOYSA-N 242.322 3.800 30 20 BHED N#CC1(CCCCN2CC[C@@H](C3CC3)C2)CCC1 930140588 WJIYJMBXSFZXAH-OAHLLOKOSA-N 246.398 3.582 30 20 BHED C=CCC(CC=C)c1nnc([C@H]2CCCCO2)o1 1325811161 KZXSOEDESOFRHA-GFCCVEGCSA-N 248.326 3.547 30 20 BHED C=C(C)CCC(=O)N[C@@H](c1ccccc1)C1CC1 1338625016 OJBNJCBDIJGXLV-INIZCTEOSA-N 243.350 3.610 30 20 BHED C=CCN(Cc1cc(C)on1)CC1CCCCC1 69860217 OBNOWWJZESCXFP-UHFFFAOYSA-N 248.370 3.551 30 20 BHED C=C(CC)CN[C@H](C)CCc1ccccc1 85058122 KYQAIBZMBBXGPX-CQSZACIVSA-N 217.356 3.564 30 20 BHED C#CCCCCN[C@@H](C)c1cc(C)sc1C 90397396 QUIKIGAJHUPLNG-LBPRGKRZSA-N 235.396 3.819 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 116907870 ZSTHDIWRNKYFEN-QWRGUYRKSA-N 223.747 3.955 30 20 BHED C#C[C@H](C)NCc1cc(-c2ccccc2)cs1 123066103 IZHJGWCITYVWOF-LBPRGKRZSA-N 241.359 3.526 30 20 BHED CCCCCCCCC(=O)NC[C@H](C)SC 129231364 UAOJDXFECQTZRQ-LBPRGKRZSA-N 245.432 3.605 30 20 BHED C[C@H](CC1CCC1)Nc1cccc(OCC#N)c1 169277614 RUZAOXATIUSLCP-GFCCVEGCSA-N 244.338 3.580 30 20 BHED C=CCC[C@@H](C(=O)N[C@H](C)CC)c1ccccc1 189361858 BSGYAHVZYLQIQI-UKRRQHHQSA-N 245.366 3.651 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccc2c(c1)COC2 281599007 MAUWLWVBKAVUND-BLLLJJGKSA-N 245.366 3.722 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1cncc(C)c1 293834886 XHIATZKPPUEEOC-CYBMUJFWSA-N 232.371 3.643 30 20 BHED C[C@@H](CCC#N)N[C@@H](C)c1cccc(C2CC2)c1 298463255 RUYHHMCTHOUEAE-STQMWFEESA-N 242.366 3.907 30 20 BHED C#CCCCCN[C@H](CC)[C@@H](C)CCC 309098105 FPNRNEXSNSTGKR-UONOGXRCSA-N 209.377 3.594 30 20 BHED C#C[C@@H](NC(CC)CC)c1ccc(Cl)cc1 309727729 YMOAQHFOXYFQJX-CQSZACIVSA-N 235.758 3.793 30 20 BHED CSc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 336585019 QMFFQAIMYDSXQZ-CMPLNLGQSA-N 232.352 3.513 30 20 BHED Cc1ccccc1CN(CCCCC#N)C1CC1 338736777 UAISESUDWMELSS-UHFFFAOYSA-N 242.366 3.653 30 20 BHED CC(C)CCCN(CCC#N)CC(C)(C)C 429044567 KCZYIIMQIPCNCY-UHFFFAOYSA-N 224.392 3.684 30 20 BHED C=CCCCC(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C 482689902 HSJGLXLMERLDAK-MCIONIFRSA-N 237.387 3.531 30 20 BHED C=CCSCc1c(Cl)cccc1[N+](=O)[O-] 490797291 OQSDILYWBQSNKG-UHFFFAOYSA-N 243.715 3.667 30 20 BHED C=C(C)CCN(C(C)C)C1CCCCC1 509022406 LEYICSMCCCXZPV-UHFFFAOYSA-N 209.377 3.996 30 20 BHED Cc1cccc2c1CC[C@@H]2Nc1ccc(C#N)cc1 517874470 WWKBZOZTDLDAPC-KRWDZBQOSA-N 248.329 3.966 30 20 BHED C=CCCC[C@@H](C)NC(=O)C[C@@H](CC)C(C)C 538328541 AXSXHIJOUKVDKI-ZIAGYGMSSA-N 239.403 3.920 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@H](C)CC(C)C 539437506 ZJMGAASAXHPDPP-KGLIPLIRSA-N 239.403 3.920 30 20 BHED C=CCN(C(=O)[C@H](CC)CC1CCCC1)C1CC1 542520393 CKNWGWWIOVSHOW-CQSZACIVSA-N 249.398 3.770 30 20 BHED C=CCCCCN[C@H]1CCC[C@@H]1SCC 569189282 BTTYGJNRUYNPMP-STQMWFEESA-N 227.417 3.607 30 20 BHED CC(C)=CCNc1nc(C(C)(C)C)ccc1C#N 616385046 VQDPMJWHVXENAE-UHFFFAOYSA-N 243.354 3.629 30 20 BHED C=CC1CCN(C[C@H](CC)CC(F)F)CC1 659915054 DLAQOJPIZWYEPH-GFCCVEGCSA-N 231.330 3.566 30 20 BHED CCCCCCCCN1CCC[C@@H](COC)C1 740877651 VFTUBZWLDABPSW-OAHLLOKOSA-N 241.419 3.705 30 20 BHED CCCCCCCCC(=O)N1CCC1(C)C 747399862 KNMMGXRNIXHPJV-UHFFFAOYSA-N 225.376 3.748 30 20 BHED COc1ccsc1/C=C\C(=O)c1occc1C 769783579 GYWCERJSESMUNF-ARJAWSKDSA-N 248.303 3.554 30 20 BHED C=CCCOC(=O)c1ccc(C)c(C)c1Cl 783273696 PHZBCZLBHKRJKO-UHFFFAOYSA-N 238.714 3.690 30 20 BHED Clc1cccc(C=NNC2CCCCC2)c1 786042871 BPILCDZEFWXQQL-UHFFFAOYSA-N 236.746 3.596 30 20 BHED N#C[C@@H]1CC[C@H](Nc2ccc3ccccc3c2)C1 799720350 GEKIPVMMCFQPOM-DOMZBBRYSA-N 236.318 3.944 30 20 BHED COCC[C@@H]1CCCC1=NNc1cccc(C)c1 799864455 NUXATAAQBRVJDD-ZDUSSCGKSA-N 246.354 3.600 30 20 BHED C[C@@H]1CC[C@@H](C=NOC2CCCCC2)C1 800816821 PLXAHINOAUKVEA-VXGBXAGGSA-N 209.333 3.758 30 20 BHED Cc1cccnc1NN=C1C[C@@H](C)CC[C@@H]1C 834974104 XXOZMWJOAFJVRW-QWRGUYRKSA-N 231.343 3.614 30 20 BHED C=C(C)CON=C(C)C1CCC(F)(F)CC1 844618158 JYVYRRKXUPDVJU-UHFFFAOYSA-N 231.286 3.781 30 20 BHED C=CCC[C@H](C)OC(=O)/C(C)=C\c1ccco1 847672727 ZUSNJDTXEBBLMV-WEHUKYGOSA-N 234.295 3.581 30 20 BHED CCC(=CC(=O)O[C@@H](C)CC(C)(C)C#N)CC 851209933 QSGGZCQNSTUBGW-NSHDSACASA-N 237.343 3.604 30 20 BHED C=CCCCCOc1cccc(C(C)=O)c1F 871715891 HRXNKIFKNNCWLH-UHFFFAOYSA-N 236.286 3.763 30 20 BHED C#CCCCCCCN[C@@H](CC)CC(F)(F)F 877353773 VAYOKCORIBTHOI-LBPRGKRZSA-N 249.320 3.891 30 20 BHED Cc1ccc(NN=Cc2ccsc2)cc1 916250703 VBQNZVSHQSFXEX-UHFFFAOYSA-N 216.309 3.503 30 20 BHED C[C@@H](C=NOC(C)(C)C)c1cc(F)cc(F)c1 1344439987 YYTFWRMZMMFZKQ-VIFPVBQESA-N 241.281 3.869 30 20 BHED C=C(Cl)CN(C)c1ccc(C)c(Cl)c1 1642204180 WUWBXCAMSAYCQL-UHFFFAOYSA-N 230.138 3.837 30 20 BHED CCC[C@@H]1CCCC[C@@H]1CN[C@H]1CC[C@H](C#N)C1 1652667674 MKDHSQDBAKLDOL-JJXSEGSLSA-N 248.414 3.875 30 20 BHED Cc1ccc(C)c(NCCC(C)(C)C#N)c1 83637944 WPRAIRGSSMPXBW-UHFFFAOYSA-N 216.328 3.655 30 20 BHED C[C@@H]1CCC[C@@H](NCCCC(C)(C)C#N)[C@@H]1C 87597194 JGNQGJZJPBVTDO-MGPQQGTHSA-N 236.403 3.731 30 20 BHED CCCCCCCNCc1scnc1C 109229251 LRHJDENFMATOHH-UHFFFAOYSA-N 226.389 3.512 30 20 BHED C#CCCCCC(=O)N(C1CC1)[C@H](C)[C@H](C)CC 120109066 ITYJOTXQLYYZGC-ZIAGYGMSSA-N 249.398 3.606 30 20 BHED C=CCC[C@@H](C)NCc1ccc(Cl)s1 126797399 QKZFUBZDDQNCSG-SECBINFHSA-N 229.776 3.846 30 20 BHED C=CCN(Cc1ccccc1)[C@H]1C=CCCC1 136723974 CVCWVQZPRKTVNR-INIZCTEOSA-N 227.351 3.783 30 20 BHED CCCCCCC[S@@](=O)C1CCCC1 153496887 AAIUJZWZDUJLCF-AWEZNQCLSA-N 216.390 3.648 30 20 BHED C=CCN(CCCCC#N)Cc1ccccc1F 171033905 NWFMEWRFNSSNHT-UHFFFAOYSA-N 246.329 3.508 30 20 BHED C[C@@H]1CCC[C@@H](C)C1NCCCC(C)(C)C#N 182712086 APHRAUATHHZBBR-CHWSQXEVSA-N 236.403 3.731 30 20 BHED C[C@H](NCC#N)c1ccc(Cl)c2ccccc12 185390619 OYZOELVPQKHWPM-JTQLQIEISA-N 244.725 3.667 30 20 BHED O=C(/C=C\c1ccccc1F)c1cccc(F)c1 206087649 RJXGGYZNIKOPNI-HJWRWDBZSA-N 244.240 3.861 30 20 BHED C=C(CN[C@H]1CCCC[C@H]1C)c1ccccc1 211842296 NPAQANKDFPLHAE-CJNGLKHVSA-N 229.367 3.868 30 20 BHED Cc1ccccc1C=NOCc1ccccc1 255269082 YNMBTDXPFVNTMI-UHFFFAOYSA-N 225.291 3.546 30 20 BHED C[C@H](CCC#N)N1CC[C@H](c2ccccc2)[C@H]1C 299195474 DYMJIQMRCJLVDI-FMKPAKJESA-N 242.366 3.557 30 20 BHED CC[C@@H](Nc1cc(F)cc(C#N)c1)C1CCC1 325397881 JRZIVIGVIOFLAY-CQSZACIVSA-N 232.302 3.688 30 20 BHED CC(C)(CCC#N)CNC1CCC2(CC1)CC2 348206894 MVQLSXIFZGPLJT-UHFFFAOYSA-N 234.387 3.629 30 20 BHED C#CC[C@@H](NCCCCC)c1ccccc1 393759345 ZDZKONOSYKVOTC-OAHLLOKOSA-N 215.340 3.531 30 20 BHED C=CCCC(=O)N(C)C/C(C)=C/c1ccccc1 427224960 MZEXRCBMVSXXNP-WYMLVPIESA-N 243.350 3.515 30 20 BHED CCOCCCS[C@@H](C)c1cccc(C#N)c1 443137974 DNBFNPOIZAWFFQ-LBPRGKRZSA-N 249.379 3.779 30 20 BHED C=CC(C)(C)CNC/C=C/c1ccc(F)cc1 449487493 YPYDVZBKEZIPIG-AATRIKPKSA-N 233.330 3.641 30 20 BHED C=CCC(CC=C)C(=O)N[C@]1(C)CCCC[C@@H]1C 457251196 JQANAQKPRRKCSK-XJKSGUPXSA-N 249.398 3.840 30 20 BHED C=CCC[C@@H](CC)NCC1(OC)CCCCC1 480666026 PDCZGQUNGXEBBN-CQSZACIVSA-N 239.403 3.670 30 20 BHED COc1cc(C#N)ccc1CS[C@H](C)C(C)C 499317241 RXEOKUXEENYQDZ-LLVKDONJSA-N 249.379 3.845 30 20 BHED C=CC1CCN(Cc2ccc(CC)s2)CC1 536672210 OGBRVFWXMITJNA-UHFFFAOYSA-N 235.396 3.709 30 20 BHED C=CC[C@H](C)N[C@@H]1c2cc(F)ccc2C[C@H]1C 540171875 FJZUTTIWYSUIKN-ZETOZRRWSA-N 233.330 3.613 30 20 BHED C=CCN(C(=O)[C@@H](CC)CC1CCCC1)C1CC1 542520389 CKNWGWWIOVSHOW-AWEZNQCLSA-N 249.398 3.770 30 20 BHED N#Cc1ccc(-c2cccc(C3CCC3)c2)cn1 593954859 SHDYOYCWOLTWGG-UHFFFAOYSA-N 234.302 3.888 30 20 BHED C=CCCCN1CC[C@@H](Cc2ccccc2)C1 607739968 RNPZMVNMEBOWSD-INIZCTEOSA-N 229.367 3.517 30 20 BHED C[C@H]1CCCCN1CCCCC1(C#N)CCC1 675075610 SDYYQMVUJVFSNP-AWEZNQCLSA-N 234.387 3.725 30 20 BHED CC#CCCOc1ccc(C(F)(F)F)cc1F 684843836 LIFGOLUUODTCAB-UHFFFAOYSA-N 246.203 3.637 30 20 BHED C[C@H](CC(C)(C)C#N)Nc1ccccc1F 695790066 GLNJHABLTREPDL-SNVBAGLBSA-N 220.291 3.566 30 20 BHED CCC(=NNc1cc(C)ccc1F)C1CC1 759665270 OFUCFFXAVOCROM-UHFFFAOYSA-N 220.291 3.722 30 20 BHED CCC(C[C@@H](C)CC)=NNc1ncccc1F 794984218 JLIXRDIFKYXNSN-JTQLQIEISA-N 237.322 3.835 30 20 BHED CC(C)=CCCC(C)=NNc1ncccc1F 794990924 SHYRIEJTRLBUGB-UHFFFAOYSA-N 235.306 3.755 30 20 BHED CCc1cccc(C)c1NN=C[C@H]1C[C@@H]1C 799493748 NOURIJXDKMULDK-WCQYABFASA-N 216.328 3.611 30 20 BHED C=CCCCCCCCCN[C@@H]1CCO[C@@H]1C 806175482 BBCYKLYHDAGFMS-HUUCEWRRSA-N 239.403 3.670 30 20 BHED CC1(C)CC(=NNc2nccc3sccc23)C1 814809067 OGJOSIANWNTSIO-UHFFFAOYSA-N 245.351 3.884 30 20 BHED CC[C@H](C)C=NNc1cc(Cl)nc(Cl)c1 819828696 MYGQLAJUAOWUCP-ZETCQYMHSA-N 246.141 3.832 30 20 BHED CC(C)CC(CC(C)C)C(=O)OC(C)(C)C#N 835226085 UEYIHTDSKXZGEM-UHFFFAOYSA-N 239.359 3.540 30 20 BHED CCCON=C1CC[C@@H](c2ccccc2)C1 842551953 VNPJEOGZASOTLU-CYBMUJFWSA-N 217.312 3.737 30 20 BHED C[C@H](CC(C)(C)C#N)OC(=O)C1CCC=CCC1 873544917 HFAKVJFQUAWXPO-GFCCVEGCSA-N 249.354 3.604 30 20 BHED C=CCCCC(=O)N(C)Cc1c(C)cccc1C 887960861 UIEYVKJVIYMYTD-UHFFFAOYSA-N 245.366 3.618 30 20 BHED C[C@@H](CCC#N)CNC1(C2CCCCC2)CC1 898461357 ABJQVFMTTPKLLY-ZDUSSCGKSA-N 234.387 3.629 30 20 BHED Cc1ccc(C)c(NN=Cc2ccc(C#N)cc2)c1 916345998 RZAWEGNBPQZFJZ-UHFFFAOYSA-N 249.317 3.621 30 20 BHED C=CCCCC(=O)N(CC)Cc1ccccc1F 1318919699 JERMREJOBIRULG-UHFFFAOYSA-N 249.329 3.531 30 20 BHED CSc1ccc(C=NOC(C)(C)C)cc1 1336229359 QUGJDYBQQDNXLT-UHFFFAOYSA-N 223.341 3.558 30 20 BHED C=CCC(F)(F)C(=O)N[C@H](CCC)C(C)(C)C 1347904106 PAOSYDCDVKEIJQ-SNVBAGLBSA-N 247.329 3.529 30 20 BHED CN(Cc1ccc(C#N)cc1)CC1CCCCC1 42238303 HORZJPGSGWCRGN-UHFFFAOYSA-N 242.366 3.570 30 20 BHED N#CCCCCN1CCCCC[C@@H]1c1ccco1 76804525 SDJXKEFHCJJWTA-CQSZACIVSA-N 246.354 3.891 30 20 BHED CC[C@@H](CC#N)N[C@H](CC)Cc1ccc(C)cc1 133197715 FWVVODGIBGMZHP-JKSUJKDBSA-N 244.382 3.598 30 20 BHED O=C(/C=C/c1coc2ccccc12)c1ccco1 160253491 KSUDZXMKOZYTBQ-BQYQJAHWSA-N 238.242 3.922 30 20 BHED C=C(C)CN(C)C(=O)C[C@H](C)C1CCCCC1 180434376 ZLENCIQGSPXJRX-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED CC#CCCS[C@@H](C)c1cccc(C#N)c1 190890474 CAHLFNUXZPPLTB-LBPRGKRZSA-N 229.348 3.766 30 20 BHED C=CCC1(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)CCC1 191867223 KESIWXDFJUKGLL-KGLIPLIRSA-N 249.398 3.770 30 20 BHED CCCCC[C@H](C)NCC(C)(C)CCC#N 229674195 NYSOTVCJEFRYKK-ZDUSSCGKSA-N 224.392 3.875 30 20 BHED N#CC[C@@H]1CCCN(CCC2CCCCC2)C1 260280463 YIFWFPXXNAUJBW-HNNXBMFYSA-N 234.387 3.582 30 20 BHED C#CCCCCN[C@@H](C)c1csc(C)c1 294208628 MILXJFUCIHOLCC-LBPRGKRZSA-N 221.369 3.511 30 20 BHED N#CCCCCN1CCC[C@H]1c1cccc(F)c1 299530398 GMVAYVJMDVVLRH-HNNXBMFYSA-N 246.329 3.656 30 20 BHED C=CCCCSC[C@H]1CC1(Cl)Cl 308166517 VBKLJALYWUFDBL-MRVPVSSYSA-N 225.184 3.880 30 20 BHED C=CCC[C@H](CCC)NC[C@H]1CCCSC1 309936640 AGBRIJMXAGGUST-KGLIPLIRSA-N 241.444 3.854 30 20 BHED CCCN(Cc1cc(F)ccc1C#N)CC(C)C 310913039 FMLFTUZEZOKTFV-UHFFFAOYSA-N 248.345 3.565 30 20 BHED CC(C)(C#N)CCSC[C@H]1CCC(C)(C)O1 342028674 YDUHUQWILOMMOI-LLVKDONJSA-N 241.400 3.617 30 20 BHED C[C@@H]1CCCC[C@@H]1CCNc1ncccc1C#N 358223650 OJJPRZFTCLXUIN-CHWSQXEVSA-N 243.354 3.582 30 20 BHED C=C(CC)CS[C@@H](C)c1nc(C(C)C)no1 358637264 SJQVOYMENKPVGX-JTQLQIEISA-N 240.372 3.953 30 20 BHED CCCC(CCC)NCC(C)(C)CCC#N 381290604 CYFAFHDPVKFIOS-UHFFFAOYSA-N 224.392 3.875 30 20 BHED N#Cc1c(C2CCCC2)n[nH]c1-c1cccs1 409439224 HOPHSDQPALACGW-UHFFFAOYSA-N 243.335 3.667 30 20 BHED CC[C@@H](C)CN(CC)[C@H](C)c1ccc(C#N)cc1 409445295 DMGJIFBPJCMBSG-ZIAGYGMSSA-N 244.382 3.987 30 20 BHED CC[C@@H](F)CSc1ccc(C#N)cc1F 440581399 MRRNKYZMDGYYBS-SECBINFHSA-N 227.279 3.538 30 20 BHED C[C@H]1CCC[C@@H](C)[C@@H]1NC1CCC(C)(C#N)CC1 449104947 XEXQQQGVZXSABV-AURRFLRISA-N 248.414 3.873 30 20 BHED CC#CCCS[C@@H](C)c1ccccc1OC 462410997 CBMHZTDXCXLSRE-LBPRGKRZSA-N 234.364 3.903 30 20 BHED CC#CCCCC(=O)N1CCCC[C@H]1[C@@H](C)CC 466418110 VSCQRYBINURDGP-GJZGRUSLSA-N 249.398 3.607 30 20 BHED C=CCCCCCN(C)[C@H]1C=CCCC1 523552014 MHTBSDQKWNHPBK-AWEZNQCLSA-N 207.361 3.773 30 20 BHED C[C@H](NCCCC1CCC1)c1ccc(C#N)cc1 594732202 VDJSDJVCIRENKC-ZDUSSCGKSA-N 242.366 3.789 30 20 BHED CC(C)(C#N)CCN1CC(C)(C)CCC1(C)C 599538777 RYFSSLBPKDJDDO-UHFFFAOYSA-N 236.403 3.827 30 20 BHED C=CCCCN1CCC[C@H]1C1CCCC1 605150033 GIAQFNMPUWOHCF-AWEZNQCLSA-N 207.361 3.607 30 20 BHED C=CCC(C)(C)c1noc([C@@H]2CC23CCC3)n1 645629069 TYRIUXROSKCUIW-JTQLQIEISA-N 232.327 3.581 30 20 BHED C=C(CNC(=O)CC(C)(C)CC)c1ccccc1 672481583 VUTABIPBTCAWQX-UHFFFAOYSA-N 245.366 3.642 30 20 BHED CCCCCCCOC(=O)[C@@H]1Cc2ccccc21 744046745 HBCPUUNWUMWLCW-OAHLLOKOSA-N 246.350 3.840 30 20 BHED CCCCCC=NNc1cccc([N+](=O)[O-])c1 755481129 ISDQOMTTZBAVOK-UHFFFAOYSA-N 235.287 3.573 30 20 BHED CC(CC1CC1)=NNc1cc(C)ccc1F 759666001 TWTYSRPOIYDJSP-UHFFFAOYSA-N 220.291 3.722 30 20 BHED CCC1(C)CCC(=NNCC(C)C)CC1 771562712 QWDUEFCSHWFKKJ-UHFFFAOYSA-N 210.365 3.578 30 20 BHED C#CCCCCN[C@@H]1CCCc2ccc(C)cc21 773039922 ZHNDHSNERXPAJG-QGZVFWFLSA-N 241.378 3.766 30 20 BHED C=CCCC(=NNCC(CC)CC)C1CC1 774473820 MGQOBISYKUKTNM-UHFFFAOYSA-N 222.376 3.744 30 20 BHED CC(=NOC1CCCC1)c1cc(C)oc1C 774603473 VAPQUFOYNVEWLC-UHFFFAOYSA-N 221.300 3.580 30 20 BHED CON=C1CCC[C@@H]1c1ccc(OC(C)C)cc1 776764579 RQODUPZYFAQEBR-CQSZACIVSA-N 247.338 3.744 30 20 BHED CC(C)(C)SCCSCCCCC#N 783555765 UBGMPKVEALJZOS-UHFFFAOYSA-N 231.430 3.945 30 20 BHED CC(CC1CCC1)=NN[C@H](C)C(C)(C)C 793114303 KTWJEAGPLAKJCI-LLVKDONJSA-N 210.365 3.577 30 20 BHED CC(C)CON=C/C=C/c1ccc(F)c(F)c1 794922538 KKABGDZUDHJBNR-VFVPTBDISA-N 239.265 3.636 30 20 BHED C=CCCCCCCNC(=O)/C=C/CCC 805218375 YUBVOLCBQSRPCF-ZRDIBKRKSA-N 223.360 3.595 30 20 BHED CC(C)[C@@H]1CCCC1=NOC/C=C/Cl 811670018 MFPBJTLPNYXLCT-HFNNODDISA-N 215.724 3.568 30 20 BHED C=CCC(C)(C)CNC(=O)/C=C/C(=C/C)CC 817456645 AGHJBFBEEZQVEU-GSSAJISUSA-N 235.371 3.617 30 20 BHED CC(=NOC1CCC1)[C@H]1C[C@H]2C=C[C@H]1CC2 842533481 QPNWQSDEFINLMP-SGMGOOAPSA-N 219.328 3.534 30 20 BHED C=C[C@H](C)ON=Cc1cscc1C(F)(F)F 844619750 COPGBLNWZWFDKM-ZETCQYMHSA-N 249.257 3.692 30 20 BHED CCCCCCCNC(=O)CC1CC(F)(F)C1 862355730 OKPCOFZEIQBGEX-UHFFFAOYSA-N 247.329 3.508 30 20 BHED CCCCCCCCCNC(=O)CC1CC1 914756770 XENDPCWVRRZYGN-UHFFFAOYSA-N 225.376 3.653 30 20 BHED CCc1ccccc1NN=C(C)c1ccc(C)o1 915051915 YXKAONKRTXIXJP-UHFFFAOYSA-N 242.322 3.987 30 20 BHED CCCC[C@H](C)Nc1cc(C#N)ccc1OCC 1462068903 BNPQKWPRJORIOH-LBPRGKRZSA-N 246.354 3.948 30 20 BHED C=C(CC)C(=O)N(C)Cc1ccc(C(C)C)cc1 1520735263 HUSGQDSIUJBUCD-UHFFFAOYSA-N 245.366 3.735 30 20 BHED C=C(Cl)CN[C@@H](c1ccccc1)C1CCC1 1559645345 CVODEYJQEAFTRL-AWEZNQCLSA-N 235.758 3.870 30 20 BHED C[C@H](CN1CCc2ccc(C#N)cc21)C(C)(C)C 1658109039 DCSHGYYBAYAYAC-GFCCVEGCSA-N 242.366 3.603 30 20 BHED CCCCCCCCCC(=O)N[C@@H](C#N)CC 102351978 BEMZAGCGBZSMSK-CYBMUJFWSA-N 238.375 3.545 30 20 BHED C=CCSCc1csc(-c2ccccn2)n1 114756684 XYWDIUSHTSWPSP-UHFFFAOYSA-N 248.376 3.624 30 20 BHED C=CCC(CC=C)C(=O)N(C)[C@H]1CCCC[C@H]1C 122559299 SAJXKBSBTDDRAN-HIFRSBDPSA-N 249.398 3.792 30 20 BHED N#Cc1ccc(/C=C/c2ccc3c(c2)CCC3)nc1 172817607 XYMGQFRKUHOZCY-VMPITWQZSA-N 246.313 3.612 30 20 BHED C=CC[C@@H](C)[C@H](C)Nc1ccccc1CCOC 191577764 XJMXHKASRKKWMD-KGLIPLIRSA-N 247.382 3.888 30 20 BHED C[C@H](Nc1cccc(C#N)c1)C1CCSCC1 194970700 IWIDGZXYXXBUCB-NSHDSACASA-N 246.379 3.502 30 20 BHED C=C(Cl)CN[C@H](C)[C@H](C)CCCC 308366659 OHMNYHCBTVOXAF-MWLCHTKSSA-N 203.757 3.543 30 20 BHED C=CCCCCNC/C=C\c1ccccc1 309180504 FHAGNUFMSBWWJE-XFXZXTDPSA-N 215.340 3.646 30 20 BHED C=C(CNc1ncc(C)s1)c1ccccc1 309730718 ZTZQQEBOOSORIQ-UHFFFAOYSA-N 230.336 3.577 30 20 BHED CCC[C@H](NCC(C)(C)CCC#N)C1CCC1 324935238 OTIFUJPSGINAOY-AWEZNQCLSA-N 236.403 3.875 30 20 BHED C=C(C)CCc1noc(-c2ccc(C)s2)n1 351623853 UGMPYZJHQFZRNY-UHFFFAOYSA-N 234.324 3.615 30 20 BHED C=C(C)CNc1cc(C)c(OC)cc1Cl 380278286 YFASJPJKKZBFEA-UHFFFAOYSA-N 225.719 3.645 30 20 BHED CC(C)Oc1ccc(C#N)cc1NCCC1CC1 438317255 CPORYVSZMYNJPS-UHFFFAOYSA-N 244.338 3.557 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H]1CCC[C@@H]1CCC 451429592 ZLXVKNXJNYSANT-MELADBBJSA-N 237.387 3.674 30 20 BHED C=CCCCCCOc1ccc2ncncc2c1 515821944 LXAKQWBITJVIQT-UHFFFAOYSA-N 242.322 3.755 30 20 BHED C=CCN(C(=O)CCC1CCCCC1)C1CC1 539035466 QYDDSNYNLMTVFU-UHFFFAOYSA-N 235.371 3.524 30 20 BHED C=CCC(C)(C)c1noc(-c2ccccc2F)n1 551497244 SDIGLEMMTFNVAP-UHFFFAOYSA-N 246.285 3.729 30 20 BHED CC(C)CCCN[C@@H]1CCc2ccc(C#N)cc21 584809859 LZRBGWIDPOLPCL-MRXNPFEDSA-N 242.366 3.571 30 20 BHED CC[C@@H](CSCc1ccc(C#N)cc1C)OC 591408951 RJTYJXVEOSYUCU-AWEZNQCLSA-N 249.379 3.525 30 20 BHED CC[C@@H](C#N)S[C@@H]1CCc2ccccc2C1 594907773 GGOPGQMSDGWOEN-UONOGXRCSA-N 231.364 3.579 30 20 BHED C[C@@H](CCC#N)CNCCCCc1ccccc1 602505326 ZYPYFOYZYSBWDO-HNNXBMFYSA-N 244.382 3.539 30 20 BHED CC[C@H](Cc1ccccc1)NC[C@@H](C)CCC#N 602531812 KYLRFFGLOZFVAV-GOEBONIOSA-N 244.382 3.537 30 20 BHED C[C@H](N[C@H](C)c1ccoc1)c1cccc(C#N)c1 610830294 KEMDZEKSWIXVDF-NWDGAFQWSA-N 240.306 3.563 30 20 BHED C=CCC1(NC(=O)c2ccc(C)cc2)CCCC1 619106753 UTPSXBFEEKKHEG-UHFFFAOYSA-N 243.350 3.614 30 20 BHED C=C(Cl)CN1CC[C@@H](c2ccccc2)[C@H](C)C1 741809503 ITTNHIGQGUVLNQ-IUODEOHRSA-N 249.785 3.865 30 20 BHED CCCCCCC[C@H](NCCO)c1ccccc1 764636051 QLSLHTGACWRDGF-INIZCTEOSA-N 249.398 3.670 30 20 BHED Cc1ccc(NN=Cc2ccc(C#N)c(C)c2)cc1 766431226 OPCNBMMTWPIVJW-UHFFFAOYSA-N 249.317 3.621 30 20 BHED C#CCCCN(C1CC1)[C@@H]1CCc2ccccc21 766913381 PMVSARWWXKFCFX-QGZVFWFLSA-N 239.362 3.552 30 20 BHED CCC(=NOC)c1ccc2cc(OC)ccc2c1 767492599 UJJDDQZVCXZXLM-UHFFFAOYSA-N 243.306 3.609 30 20 BHED CC(=NOC1CCCC1)c1cccc(C)c1 774609518 XCIMNIPWLDJGSR-UHFFFAOYSA-N 217.312 3.678 30 20 BHED C#CCCCCCC(=O)Nc1ccc(C)c(C)c1 779704439 PRQNVDMOWAUALK-UHFFFAOYSA-N 243.350 3.826 30 20 BHED C=C(C)CN(C)[C@@H]1CCc2cc(Cl)ccc21 782192009 RWBWAVQFKYAMTM-CQSZACIVSA-N 235.758 3.835 30 20 BHED N#C[C@@H](OC(=O)C1=CCCCC1)C1CCCCC1 782458381 POMZWAVJWGOCOJ-CQSZACIVSA-N 247.338 3.502 30 20 BHED CC[C@H](C)CON=C(C)c1nc(C)sc1C 793146232 OPYLZRULURLPPG-QMMMGPOBSA-N 240.372 3.547 30 20 BHED CCCCCCCCC(=O)N1CCC[C@@H]2C[C@@H]21 804293370 LOYYWQVLQLUPEJ-KGLIPLIRSA-N 237.387 3.748 30 20 BHED CC[C@H]1CCCC(=NOC/C=C/Cl)C1 811671136 AJNANRHWUHWVDE-HFNNODDISA-N 215.724 3.712 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H](C)CCCCC 819069848 ZJKPRWDRTJYJTM-GFCCVEGCSA-N 225.376 3.674 30 20 BHED C=C[C@@H](CC)CC(=O)N1CC[C@H](C2CCCC2)C1 823090974 FZMSYILBPNQIQU-ZFWWWQNUSA-N 249.398 3.627 30 20 BHED C=C[C@H](C)ON=C(C)c1cc(C)sc1C 844624700 NDRJQXVBPZWKDZ-QMMMGPOBSA-N 223.341 3.680 30 20 BHED CCC[C@H](C)CC(=O)O[C@H](C)CC(C)(C)C#N 851211095 ZOMAWQGXRBXSFA-NWDGAFQWSA-N 239.359 3.684 30 20 BHED CC1(C)CCCC1=NNc1ccc(Cl)cn1 853437671 RKRVEYBUPQHYKU-UHFFFAOYSA-N 237.734 3.713 30 20 BHED CCc1ccccc1NN=Cc1ccc(F)cc1 915051805 SNXAMBXLZGQYRR-UHFFFAOYSA-N 242.297 3.834 30 20 BHED CC(=NNc1cc(C)cc(C)c1)c1ccccn1 916346582 JMSREQBVYHGJCP-UHFFFAOYSA-N 239.322 3.535 30 20 BHED C=C(Cl)CN1CCC[C@H]1c1ccccc1C 917069716 GQNXLQUJBDOCRU-AWEZNQCLSA-N 235.758 3.884 30 20 BHED C=C[C@H](CC)CC(=O)N1CCCC2(CCCC2)C1 935554433 RWNVFKQYHLQCNN-CQSZACIVSA-N 249.398 3.772 30 20 BHED C[C@@H](c1ccc(Cl)cc1Cl)N(C)CC#N 46512324 SWZGIHXOAWQYBQ-QMMMGPOBSA-N 243.137 3.510 30 20 BHED CCC[C@@H](CC)Nc1ccc(C#N)cc1 50164929 CHLVHKDPTVMXTI-GFCCVEGCSA-N 202.301 3.549 30 20 BHED C=CCOc1ccc(CN[C@H]2CCC[C@H]2C)cc1 71205954 MEXMVCVPXIYWOU-CJNGLKHVSA-N 245.366 3.530 30 20 BHED C[C@@H]1C[C@H](c2cccc(F)c2)N(CCCC#N)C1 75842794 UKAZKYHVZQYCMF-IUODEOHRSA-N 246.329 3.512 30 20 BHED CCCC1CCC(Nc2cccc(C#N)n2)CC1 80118255 BIRODGBDJSOMKK-UHFFFAOYSA-N 243.354 3.724 30 20 BHED CC(C)[C@H](c1ccccc1)N(C)CCCC#N 112698978 MRJQKNPZQKSPEK-OAHLLOKOSA-N 230.355 3.619 30 20 BHED CC(C)C[C@H]1CCCCN1CCCCC#N 123474544 DKJDBSBROZXMPE-CQSZACIVSA-N 222.376 3.581 30 20 BHED CC1(C)CC[C@H](Nc2ccc(OCC#N)cc2)C1 129232873 KREQXOZAWPGILD-ZDUSSCGKSA-N 244.338 3.580 30 20 BHED CCCc1ccc(NC(=O)[C@](C)(C#N)CC)cc1 136189166 XWSPHNCQSXGCBQ-HNNXBMFYSA-N 244.338 3.517 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)C1CCSCC1 187422467 RRTHDCYMKRQMHK-CHWSQXEVSA-N 241.444 3.853 30 20 BHED C#C[C@@H](CC)NC1CC(c2ccc(Cl)cc2)C1 229896138 LRUROWBNTHRFJT-BLZCZZARSA-N 247.769 3.587 30 20 BHED Cc1ccccc1CON=Cc1ccccc1F 255066651 SHXKJDNUZSHTHT-UHFFFAOYSA-N 243.281 3.685 30 20 BHED C=CCN(C(=O)c1cc(C(C)C)oc1C)C1CC1 285810938 MRJAZTJKBYPOLU-UHFFFAOYSA-N 247.338 3.502 30 20 BHED C=CC[C@H](CC)N[C@H]1CCCc2occc21 309624069 FGHFZKVOIKFLKR-AAEUAGOBSA-N 219.328 3.601 30 20 BHED C=CCCCCCCNCc1ncccc1C 310198687 GNUMMQVPAYEELV-UHFFFAOYSA-N 232.371 3.616 30 20 BHED C=CCCC1(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)CC1 361528357 VTKGTPDSRVIIHX-ZIAGYGMSSA-N 249.398 3.770 30 20 BHED C=CC[C@@H](C)N[C@@H](CC)C1CCCCC1 390008197 XVIDVDZMLAFSRX-OCCSQVGLSA-N 209.377 3.900 30 20 BHED CC(C)C[C@@H](C)C[C@H](C)NCC1(C#N)CCC1 418143088 OSABQXLBYZBOOP-KGLIPLIRSA-N 236.403 3.731 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccccc1OCC 425408563 SOERZWROKHCHFJ-UHFFFAOYSA-N 247.338 3.626 30 20 BHED C=CCC[C@H](C)Nc1cnn([C@H](C)C2CC2)c1 427861244 BUWOWJZXTNAYMR-NWDGAFQWSA-N 233.359 3.621 30 20 BHED CC[C@@H](N[C@@H](C)CC1CC1)c1ccc(C#N)cc1 447535669 HQZHQKQIEUWRAX-BLLLJJGKSA-N 242.366 3.788 30 20 BHED C=CCC[C@H](C)N[C@@H]1C[C@@H](C)Oc2ccccc21 449422464 DIIQNSYISDZDPB-GZBFAFLISA-N 245.366 3.843 30 20 BHED C=C(C)CCNc1ccc2c(c1)CCCC2=O 453141442 YHEHOECIEVMSBL-UHFFFAOYSA-N 229.323 3.584 30 20 BHED N#Cc1cccnc1/C=C\c1ccc(Cl)cc1 486106049 VDYLIPDROZCCKK-YVMONPNESA-N 240.693 3.777 30 20 BHED CC(C)[C@@H](C)N(Cc1ccc(C#N)cc1)C1CC1 505276532 HNZVKINZWCFDQJ-CYBMUJFWSA-N 242.366 3.567 30 20 BHED C=C(C)CCNC(C)(C)c1ccc(F)c(F)c1 508967230 ZARXCNJMWJNGHS-UHFFFAOYSA-N 239.309 3.756 30 20 BHED N#C[C@H](SCCC(F)(F)F)c1ccccc1 515312040 DDVPYOFKUQBABI-JTQLQIEISA-N 245.269 3.937 30 20 BHED N#CC1(CN2CCC[C@@H]2CC2CCCCC2)CC1 539450533 DNFIRUMIWLOLKB-OAHLLOKOSA-N 246.398 3.725 30 20 BHED CC[C@H](C)[C@H](C)N(C[C@@H](C)CCC#N)C1CC1 602463442 GCAJGEHPIGHOGV-IHRRRGAJSA-N 236.403 3.825 30 20 BHED C=CCCN1CC[C@@H](C)c2ccccc21 606896096 SUULOJSCFMJBGN-GFCCVEGCSA-N 201.313 3.576 30 20 BHED CC(C)=CCS[C@@H](C#N)Cc1ccccc1 618457748 GIXXMKWGRLXYMK-CQSZACIVSA-N 231.364 3.821 30 20 BHED CCc1ccc(/C=C\C(=O)c2cccnc2)s1 731155948 XIFGOASMHYQFEM-FPLPWBNLSA-N 243.331 3.602 30 20 BHED CCCCCCCCC(=O)N1C[C@H](C)C[C@@H]1C 740839141 HXRGZDIUADIPDQ-KGLIPLIRSA-N 239.403 3.994 30 20 BHED FC(F)C1CC(=NNc2cccc(Cl)c2)C1 766008474 IBWLKBIACMYACI-UHFFFAOYSA-N 244.672 3.783 30 20 BHED C#CCCCCC(=O)N(C)[C@@H](C)C1CCCCC1 772911085 UYRILYNZYHXCJG-AWEZNQCLSA-N 249.398 3.607 30 20 BHED CC(C)CNN=C1CC[C@@](C)(c2ccccc2)C1 780234106 AIRQAOPVKHHIDH-MRXNPFEDSA-N 244.382 3.730 30 20 BHED CC[C@H]1CCC[C@@H](C=NNc2ccccn2)C1 783805321 SSYXIKQMEUMMIQ-QWHCGFSZSA-N 231.343 3.696 30 20 BHED CC[C@H](C)NN=C1C[C@@H](C)CC[C@@H]1CC 797403619 SISWKZGQLXPHQP-SRVKXCTJSA-N 210.365 3.577 30 20 BHED Cc1cccc(NN=Cc2ccc3[nH]ccc3c2)c1 811629096 JORUMGOPUCHYHR-UHFFFAOYSA-N 249.317 3.922 30 20 BHED Cl/C=C\CON=Cc1ccccc1C1CC1 811670691 YWVGJVPJKLDIOZ-YKZYKEATSA-N 235.714 3.667 30 20 BHED CC(C)(CC#N)CN[C@@H]1CC[C@H]2CCCC[C@H]2C1 839163419 MBOCVDXTUNJBJK-QLFBSQMISA-N 248.414 3.875 30 20 BHED C=C(CC(C)C)C(=O)Nc1cccc(F)c1C 1123634964 NUICQZXZXLNWMS-UHFFFAOYSA-N 235.302 3.675 30 20 BHED CC(C)CC[C@@H]1CC[C@@H](NCC2(C#N)CCC2)C1 1179771724 LXCHLPULROGUFR-HUUCEWRRSA-N 248.414 3.875 30 20 BHED CC(C)CN(CCC#N)CC1CCCCCC1 1307482975 KXNIACYGDZXVKD-UHFFFAOYSA-N 236.403 3.828 30 20 BHED Cc1ccc(NCc2cccc(C#N)c2)cc1F 19955789 DHTSUIYWMMMNOU-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C[C@H]1CN(Cc2cccc(C#N)c2)c2ccccc21 61071620 DZKGJLGBJQTUFV-ZDUSSCGKSA-N 248.329 3.682 30 20 BHED N#CCC1(CNc2cc(Cl)ccc2F)CC1 83853766 LTLJEDPRSCBAGM-UHFFFAOYSA-N 238.693 3.585 30 20 BHED Cc1ccsc1CNc1ccc(F)cc1C#N 90794592 XPCGQSGFYMWFSG-UHFFFAOYSA-N 246.310 3.679 30 20 BHED CC[C@@H](C)C[C@H](C)Nc1cccc(F)c1C#N 90795430 UYYQZLYJNHRDLH-MNOVXSKESA-N 234.318 3.934 30 20 BHED CCCCCCC[C@@H](C)NCC(C)(C)C#N 126418410 RHNOBADMIWVSBF-CYBMUJFWSA-N 224.392 3.875 30 20 BHED CCc1ccc([C@@H]2CCCCCN2CCC#N)o1 150725555 KEKKIJNBJGAPRT-AWEZNQCLSA-N 246.354 3.673 30 20 BHED C#CCCCNc1cc(Cl)cc(Cl)c1 161048246 OLYMKMGCWUSWDA-UHFFFAOYSA-N 228.122 3.819 30 20 BHED Cc1cc(C#N)ccc1CSCc1ccco1 165995656 IIHHGIFTNASTDY-UHFFFAOYSA-N 243.331 3.893 30 20 BHED COc1cc(C)ccc1NCCCC(C)(C)C#N 177592661 SEWRIIHIOKRRDM-UHFFFAOYSA-N 246.354 3.746 30 20 BHED C[C@H](Oc1ccc(C#N)cc1)c1ccc(C#N)cc1 181117307 UFAAWOIWABFDLL-LBPRGKRZSA-N 248.285 3.570 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H](C)[C@@H](C)CC 181476437 GOWQQRCIUPQZKC-RWMBFGLXSA-N 225.376 3.530 30 20 BHED Cc1ccccc1CS[C@H](C)CCC#N 188197434 FEXSCARLMSWTES-GFCCVEGCSA-N 219.353 3.921 30 20 BHED C[C@H](c1cc(Cl)ccc1Cl)N(C)CC#N 194984617 LLPSBBDVTUPHDI-MRVPVSSYSA-N 243.137 3.510 30 20 BHED COc1cccc(C(=O)/C=C\c2ccsc2)c1 206089300 SHPBGKRBENJVDX-WAYWQWQTSA-N 244.315 3.653 30 20 BHED C[C@@H]1CC(Nc2cc(F)cc(C#N)c2)C[C@@H](C)C1 227620231 SFAZPUBVPOTZRF-QWRGUYRKSA-N 246.329 3.934 30 20 BHED CC[C@H]1CC[C@H](C)N1CCCCC(C)(C)C#N 234107263 BJVLMVRFTTUATK-KBPBESRZSA-N 236.403 3.969 30 20 BHED C=CCC(C)(C)CNC(=O)Nc1ccccc1C 292856114 RPCXDCMIMWKKSF-UHFFFAOYSA-N 246.354 3.719 30 20 BHED C=CCCCSCCCOC(C)C 308135743 FEAGRKYYPXKNNI-UHFFFAOYSA-N 202.363 3.501 30 20 BHED C[C@H]1CCC[C@@H](Nc2cccc(CC#N)c2)C1 313427931 NQFZUPJLRVNTRI-GXTWGEPZSA-N 228.339 3.743 30 20 BHED CCC[C@H](NCCCC(C)(C)C#N)C1CCC1 324954628 IBIMHHCINPUBBB-AWEZNQCLSA-N 236.403 3.875 30 20 BHED C=CCCCN[C@H](CC)c1cc(F)ccc1F 341997526 UCMMJOODXFPFKQ-CQSZACIVSA-N 239.309 3.972 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccc2c(c1)CCO2 393777084 NUMORUOGCXYKPF-WFASDCNBSA-N 245.366 3.627 30 20 BHED CCCCCCCN1CCC[C@H](CC#N)C1 397578013 DYLGIZCNOYTYIC-CQSZACIVSA-N 222.376 3.582 30 20 BHED CCC(CC)[C@H](NCCC#N)c1cccs1 411445476 ACTMZDHZDYNAFX-ZDUSSCGKSA-N 236.384 3.729 30 20 BHED CC(C)N(CC1(C#N)CC1)[C@@H](C)c1ccsc1 421020040 YNDYHVOTGQUKLG-LBPRGKRZSA-N 248.395 3.823 30 20 BHED CC#CCCOc1cccc(-c2nccs2)c1 447791585 LGSDCZYBXQFAAV-UHFFFAOYSA-N 243.331 3.602 30 20 BHED C=CCC1(C(=O)N[C@H](CC)CCC)CCCC1 449812427 VABYQWUXYIBMKG-CYBMUJFWSA-N 237.387 3.818 30 20 BHED C=C(C)C[C@@H](C)C(=O)Nc1cc(C)c(O)c(C)c1 478805121 KMIKXCZYIAIJPQ-GFCCVEGCSA-N 247.338 3.550 30 20 BHED CCC(C)(C)CN[C@@H]1CCc2ccc(C#N)cc21 576317631 MAJSIUZGGKGKRR-OAHLLOKOSA-N 242.366 3.571 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C[C@H]1CCCC[C@@H]1C 577693371 PTVAJVJXHAXJPG-RRFJBIMHSA-N 249.398 3.770 30 20 BHED CC(C)=CCCN(C)[C@@H](C)c1cccc(C#N)c1 595549728 LQXNONMRPDUDGX-AWEZNQCLSA-N 242.366 3.907 30 20 BHED C=CCC[C@@H](CC)NC1CC2(CCC2)C1 652051485 HCVJNWAMSYXHEG-GFCCVEGCSA-N 207.361 3.654 30 20 BHED C=CC[C@H]1CCCN(c2ncc(Cl)s2)C1 664252711 BPVNWZJRDAMSGE-VIFPVBQESA-N 242.775 3.589 30 20 BHED Cc1cc(F)ccc1NN=CCC(C)(C)C 755814555 MVUWYBXDSKXIML-UHFFFAOYSA-N 222.307 3.968 30 20 BHED CC1=CC(=NNc2cc(Cl)ccn2)CCC1 777907109 NAJCOSSBWMPANC-UHFFFAOYSA-N 235.718 3.633 30 20 BHED C=CCCC(=NNc1ncccc1C)C1CC1 790187766 ZTGWBNARFVTSKY-UHFFFAOYSA-N 229.327 3.534 30 20 BHED C#CC[C@H](N[C@H]1CC[C@H]1C1CC1)c1ccccc1 806147974 BQIUQPRUJLPFPM-ULQDDVLXSA-N 239.362 3.529 30 20 BHED CC[C@@H]1CCC1=NNc1ccc(C)cc1 807942688 CZXGDSBXBCZXEY-LLVKDONJSA-N 202.301 3.583 30 20 BHED C=CCCCCCCCNC(=O)C1CCCC1 810768008 CICUHVGOHMFZMI-UHFFFAOYSA-N 237.387 3.819 30 20 BHED COc1cccc(NN=CCCC(C)C)c1 814777054 LACKDUOQYDXOOC-UHFFFAOYSA-N 220.316 3.529 30 20 BHED CCC(=NNc1ccccc1)C1CCC1 834913494 AJPWEPBHTHFMQJ-UHFFFAOYSA-N 202.301 3.665 30 20 BHED C[C@H](SCC1(C#N)CC1)c1cccs1 1254265375 UWORUICGVPOQSX-VIFPVBQESA-N 223.366 3.846 30 20 BHED C=CCC(CC=C)C(=O)O[C@@H](C)c1ccoc1 1263665501 GWABNDYWHVLEOL-NSHDSACASA-N 234.295 3.652 30 20 BHED CCC[C@H](C)c1noc(-c2csc(C#N)c2)n1 1326622471 HIRCTUYPJVHVEQ-QMMMGPOBSA-N 247.323 3.573 30 20 BHED Cc1ccccc1[C@@H](N[C@H](C)CCC#N)C1CC1 1331330064 NTIUJOKRFJRNIX-CJNGLKHVSA-N 242.366 3.728 30 20 BHED CC(C)(C)ON=C1CCCC12CCCC2 1347634411 OAGIJEDSVJFWPQ-UHFFFAOYSA-N 209.333 3.902 30 20 BHED C[C@H]1CCC[C@@H](C)[C@@H]1N[C@H](C#N)c1ccccc1 1350375834 GBGPSZBZEZCCFS-CLWVCHIJSA-N 242.366 3.666 30 20 BHED CC(C)[C@@H]1CCCN(C[C@H](C)CCC#N)CC1 1663618418 PFOVHKSMMCOXOZ-HUUCEWRRSA-N 236.403 3.684 30 20 BHED CC(C)CSCc1ccc(C#N)cc1F 20362248 RTJNUAPAZFLYKA-UHFFFAOYSA-N 223.316 3.587 30 20 BHED CC[C@@H](C)C[C@H](C)Nc1ccc(C#N)cc1 83865172 GEQGJXSJCKKFHZ-NEPJUHHUSA-N 216.328 3.795 30 20 BHED Cc1ccccc1CNc1ccc(F)cc1C#N 113317175 OJSXAQZOIIIKGM-UHFFFAOYSA-N 240.281 3.618 30 20 BHED Cc1cccc(C(=O)/C=C\c2ccsc2)c1 212923074 FQHWAJXKYKOAMW-WAYWQWQTSA-N 228.316 3.953 30 20 BHED CC1(CNCc2cc(C#N)cs2)CCCCC1 229587629 XCPDIIABJRASGR-UHFFFAOYSA-N 248.395 3.680 30 20 BHED C[C@@H]1CCCCC[C@H]1NCC(C)(C)CCC#N 229697685 QEBGTNGLYGGTEN-ZIAGYGMSSA-N 236.403 3.875 30 20 BHED CC[C@H](C#N)Sc1ccc2c(c1)CCCC2 259339277 XQDAJNXFXJMZIV-CYBMUJFWSA-N 231.364 3.960 30 20 BHED N#C[C@H]1CC[C@H](SC2=Nc3ccccc3C2)C1 278683558 YSAJAJZLNZNBHY-JQWIXIFHSA-N 242.347 3.698 30 20 BHED C=CCCC[C@H](C)Nc1cc(Cl)nc(C)n1 301979809 AMHBXWQVUHXFQC-VIFPVBQESA-N 239.750 3.595 30 20 BHED C=CC[C@H](C)[C@H](C)NC[C@@H]1CC[C@@H](C)C1 308828689 FKRKIPKPGUPZPW-ZOBORPQBSA-N 209.377 3.613 30 20 BHED N#Cc1cccc(NCc2ccsc2Cl)c1 309539178 XWELIYISNGOZFU-UHFFFAOYSA-N 248.738 3.885 30 20 BHED C=CCC(C)(C)CNc1ccsc1[N+](=O)[O-] 309844699 SDKOTTZMUKMYBK-UHFFFAOYSA-N 240.328 3.671 30 20 BHED C#Cc1cccc(N[C@H](CC)CCC=C)c1 310035668 UBGYKXYLADDKDY-CQSZACIVSA-N 213.324 3.825 30 20 BHED C[C@H](CNc1cccc(CC#N)c1)C(C)(C)C 313474790 GIRPUWVOWANUAM-GFCCVEGCSA-N 230.355 3.847 30 20 BHED Cc1cnc([C@@H](C)Sc2ccc(C#N)cc2)o1 334468259 FWEIMSGLASXGPP-SNVBAGLBSA-N 244.319 3.708 30 20 BHED CCCC[C@@H]1CCC[C@@H]1N[C@H](CC)CC#N 381377223 KCTWQNZHEMMOLN-MCIONIFRSA-N 222.376 3.627 30 20 BHED C=CC[C@@H](CC)NCc1ccc(C)c(C)c1 390437955 TZBNKJVNTVTBOW-OAHLLOKOSA-N 217.356 3.748 30 20 BHED CCC(CC)(CC)CNCc1ccc(C#N)cc1 391131934 NMIICSPQTZWHKF-UHFFFAOYSA-N 244.382 3.864 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCc2ccccc21 393752531 SZPAICHDJWCBHG-DZGCQCFKSA-N 215.340 3.618 30 20 BHED C=C(CC)CNC1(c2ccc(Cl)cc2)CC1 393754632 VSTBTMHMVQAETF-UHFFFAOYSA-N 235.758 3.885 30 20 BHED CCCCSCc1ccc(CC#N)cc1 399014014 DWEYJIVAYPOBKS-UHFFFAOYSA-N 219.353 3.786 30 20 BHED C=CCC[C@H](C)NCCc1ccc(SC)cc1 436292540 NGJMWOZNGMMWPL-ZDUSSCGKSA-N 249.423 3.895 30 20 BHED C=CCC[C@H](CCC)NC[C@@](C)(O)[C@@H](C)CC 462109124 CSKSIQCXSLCVKO-SOUVJXGZSA-N 241.419 3.508 30 20 BHED CC#CCCOc1ccc(OC)c2ccccc12 462366722 WVDMZGOKFMGOBS-UHFFFAOYSA-N 240.302 3.641 30 20 BHED CC[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@H](C#N)C1 463297978 AGNRZQNWKPLGJH-XGUBFFRZSA-N 234.387 3.627 30 20 BHED C=CCN(CC(=C)CC)Cc1ccccc1 536882960 YYPSCJJTHVRDFK-UHFFFAOYSA-N 215.340 3.641 30 20 BHED CCC1(CNCc2ccc(C#N)o2)CCCCC1 546578080 DGTZUHDTCRZESF-UHFFFAOYSA-N 246.354 3.601 30 20 BHED C=CCCCSc1ccc(C(=O)OC)cc1 573522144 YMXHLSHOMSZVDS-UHFFFAOYSA-N 236.336 3.532 30 20 BHED C=CCC(C)(C)c1noc(-c2cccc(F)c2)n1 577476849 CIKJSWQSNMRKLZ-UHFFFAOYSA-N 246.285 3.729 30 20 BHED C=CC[C@H]1CCCN(C(=O)[C@H]2CCC(C)(C)C2)C1 617781024 CHASYLQRTYJCME-KBPBESRZSA-N 249.398 3.627 30 20 BHED CC[C@H](N[C@@H](C)C1CCC1)c1ccc(C#N)cc1 618572339 WZHNIAHUJAWWHV-LRDDRELGSA-N 242.366 3.788 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1cnc(C)s1 631706578 IJTWCLBIRZAUEO-AXFHLTTASA-N 238.400 3.703 30 20 BHED C=CCC(C)(C)CN[C@@H](C)CC(C)(C)C#N 695814615 ZZRLMCGPNHROEL-LBPRGKRZSA-N 222.376 3.507 30 20 BHED CC1=CC(=NOCc2ccccc2)CCC1 727256056 SAISVGYPBFQWPO-UHFFFAOYSA-N 215.296 3.689 30 20 BHED C=CCCOC(=O)/C=C(\CC)c1ccc(C)cc1 744049165 KLBKNIPSFRESQO-WYMLVPIESA-N 244.334 3.908 30 20 BHED CCCCCCCC(=O)N1CC=C(C)CC1 756045565 LOIQLDMCVHKRDK-UHFFFAOYSA-N 223.360 3.526 30 20 BHED C#CCCc1noc([C@H](C)CCCCCC)n1 762015269 YPSDPKYRLQFELX-GFCCVEGCSA-N 234.343 3.709 30 20 BHED Cc1ccccc1/C=C/C(=O)c1sccc1O 771744203 JUZTWJADJZSQAA-VOTSOKGWSA-N 244.315 3.658 30 20 BHED C=CCCCSCc1ccc2c(c1)COC2 778045245 BCYLNOIPSJJHMP-UHFFFAOYSA-N 234.364 3.916 30 20 BHED C[C@@H]1CCCCC1=NNCCC(C)(C)C 782907764 OUERZWHARRZWMF-LLVKDONJSA-N 210.365 3.578 30 20 BHED C=CC[C@H](NCCC(C)(C)C)c1ccncc1 783639073 ZMFLDIUDWAHUTG-AWEZNQCLSA-N 232.371 3.725 30 20 BHED CC[C@@H]1CCC[C@H](C=NOCC(F)(F)F)C1 783855888 PLWPPGAWSOFGAJ-ZJUUUORDSA-N 237.265 3.768 30 20 BHED CC[C@H](C)NN=Cc1ccc(Cl)c(Cl)c1 790188794 LGUCZJUMSUIZMI-QMMMGPOBSA-N 245.153 3.715 30 20 BHED C#CCCN(C(C)C)[C@H](C)c1ccsc1 817288284 WVCFFLMVTBIXBU-GFCCVEGCSA-N 221.369 3.543 30 20 BHED C=C(Cl)CNC1(c2cccc(Cl)c2)CC1 839542941 WRJUCKJSOKZOIY-UHFFFAOYSA-N 242.149 3.671 30 20 BHED Cc1ccc(-c2cccc(C3(C#N)CC3)c2)cn1 844233578 QVZWOFBTYRSEKJ-UHFFFAOYSA-N 234.302 3.612 30 20 BHED CCCOCSc1ccc(Cl)cc1C#N 871657688 INLRTBZOSBCNPB-UHFFFAOYSA-N 241.743 3.688 30 20 BHED Cc1cn(Cc2ccccc2C2CC2)cc1C#N 1327151922 UOEODCYRKNYMBI-UHFFFAOYSA-N 236.318 3.594 30 20 BHED C=C(C)CCC(=O)N[C@H](C)c1ccc(C)s1 1335744278 WFBCDBJHNCCEGD-LLVKDONJSA-N 237.368 3.590 30 20 BHED CC1CCC(C)(CNc2ccc(C#N)cn2)CC1 1651817764 RDHLLQUSRCJMCF-UHFFFAOYSA-N 243.354 3.582 30 20 BHED CCc1ccc(CNc2ccc(C#N)cc2)s1 20053225 SLNASNRIJMVQIT-UHFFFAOYSA-N 242.347 3.794 30 20 BHED N#CCc1ccc(NC2CCCCCC2)cc1 37071267 QGDBPBLDWMKVJN-UHFFFAOYSA-N 228.339 3.887 30 20 BHED CC[C@H](C#N)C(=O)Nc1c(C)cccc1C(C)C 44810080 RIYAXQREVSPZDP-GFCCVEGCSA-N 244.338 3.607 30 20 BHED CC1(C)CCCC[C@@H]1NCc1cccc(C#N)c1 94278305 YFSJMMKTKFAPAY-HNNXBMFYSA-N 242.366 3.617 30 20 BHED C#CCCCCC(=O)O[C@H](C)c1cccc(F)c1 120357566 DVHNKQZYYXWAOB-GFCCVEGCSA-N 248.297 3.624 30 20 BHED CC#CCN[C@H](Cc1ccccc1)c1ccccc1 135019684 PRMSVPSTWNXAQE-GOSISDBHSA-N 249.357 3.583 30 20 BHED CC(C)[C@@H](NCCC(C)(C)C#N)c1ccccc1 157463914 GWNMKOIJUBVKMJ-OAHLLOKOSA-N 244.382 3.913 30 20 BHED C=CCCCN[C@H](CC)c1cccc([N+](=O)[O-])c1 181547713 GGLVSGYAAALBIK-CQSZACIVSA-N 248.326 3.602 30 20 BHED C=CC1CCN(C(=O)C2(CC)CCCCC2)CC1 185835843 SFQVFEGQLWIDJC-UHFFFAOYSA-N 249.398 3.772 30 20 BHED N#Cc1ccc(CNCCCC2CCCC2)cc1 225617127 FDFHIPZJXWYIEY-UHFFFAOYSA-N 242.366 3.618 30 20 BHED C[C@H](NCC(C)(C)C#N)c1csc(Cl)c1 235506506 YGCWRVWUHGPAMF-QMMMGPOBSA-N 242.775 3.602 30 20 BHED C=C[C@H](C)Nc1nc(-c2ccccc2)cs1 301596636 GIZZIQZQHDTQEQ-JTQLQIEISA-N 230.336 3.797 30 20 BHED CC[C@H](N[C@H]1CCC[C@H]1C)c1ccc(C#N)cc1 337566108 YHJKOPJZLWRHKQ-KCXAZCMYSA-N 242.366 3.788 30 20 BHED C=C(C)CN(C)Cc1ccc(C(C)C)nc1C 339078326 RNVCRJDLPYNWTN-UHFFFAOYSA-N 232.371 3.521 30 20 BHED C=CC[C@@H](CC)NCc1cccc(OCCC)c1 393797010 KGJYZDNLTLCSDP-OAHLLOKOSA-N 247.382 3.920 30 20 BHED CC(C)c1nccn1CCC1(C#N)CCCCC1 413003047 SSBFYGMSURJOFZ-UHFFFAOYSA-N 245.370 3.871 30 20 BHED C=C(C)CN(CC)c1ccnc2ccccc12 432118659 XGGASBJLQQJVEY-UHFFFAOYSA-N 226.323 3.637 30 20 BHED Cc1cccc([C@@H](C)NCC2(C#N)CCC2)c1C 450673333 OWHMLDJWFNPGCI-CQSZACIVSA-N 242.366 3.648 30 20 BHED C=C(C)CCc1noc([C@@]2(C)CC=CCC2)n1 453186751 UIHFZBVSLSZTGB-AWEZNQCLSA-N 232.327 3.576 30 20 BHED C=CCCCC(=O)N1CC(C)(C)CC(C)(C)C1 466402573 YBCDMKAZZDBEKI-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CCCCCCN(CC(F)(F)F)C1CC1 488149508 YWKZGGDFYPEVPN-UHFFFAOYSA-N 235.293 3.760 30 20 BHED C=C[C@@H]1CCCCN1C(=O)CCC1CCCC1 488887878 ZTTHTZMDXVKYBN-CQSZACIVSA-N 235.371 3.524 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)CC(C)(C)OC 557384813 JALVWMKKCQFSOP-KBPBESRZSA-N 241.419 3.915 30 20 BHED Cc1cc(SCC(F)(F)F)ccc1C#N 568392856 IYUAUSAONVSASU-UHFFFAOYSA-N 231.242 3.521 30 20 BHED CCC[C@@H]1CCCC[C@@H]1N[C@@H]1CC[C@@H](C#N)C1 570586569 AWVYRUSCMUTTET-TUVASFSCSA-N 234.387 3.627 30 20 BHED CC(C)C1CCC(CN(C)C[C@H](C)C#N)CC1 572801681 YMSKVSSELAIKPT-WLYUNCDWSA-N 236.403 3.540 30 20 BHED C=CCCC(=O)Nc1ccc(CCCC)cc1 588014635 VQCLFAYFOFGGCV-UHFFFAOYSA-N 231.339 3.934 30 20 BHED CC(C)c1cccc(CN(C)[C@@H](C)CC#N)c1 595346358 VKFZKOVAOVMCGZ-ZDUSSCGKSA-N 230.355 3.544 30 20 BHED CCCN(Cc1ccccc1F)[C@@H](C)CCC#N 595782983 LFHGLRRIVXUBJA-ZDUSSCGKSA-N 248.345 3.730 30 20 BHED N#Cc1ccc(CSCC2CC=CC2)cc1 596413464 RGRQKLVKPXFUKW-UHFFFAOYSA-N 229.348 3.758 30 20 BHED C=CCCN(C)[C@H](CC)c1ccccc1 606897106 RCGGJRCKCPJNSY-CQSZACIVSA-N 203.329 3.646 30 20 BHED C=CCS[C@H]1CCCc2ccccc21 608801937 SLUGTUDLBFYUAX-ZDUSSCGKSA-N 204.338 3.983 30 20 BHED C=CCCC[C@H](C)N[C@H]1CCCc2ncccc21 631606322 ICPBDMBMVYUIJN-BBRMVZONSA-N 244.382 3.793 30 20 BHED CC1(C)CCC(=NNc2ccc(C#N)cc2)C1 783826051 HUUQIAZJSQFVPC-UHFFFAOYSA-N 227.311 3.536 30 20 BHED CC[C@@H](C)CON=C(C)c1cccc(F)c1 793163310 ILSNZKJQBONFJW-SNVBAGLBSA-N 223.291 3.612 30 20 BHED CCCNc1ccc(C#N)cc1NC/C=C/Cl 795267612 KTSTYWNIMAGAKP-ZZXKWVIFSA-N 249.745 3.545 30 20 BHED CC1=CCC[C@H](C)[C@H]1C=NOC/C=C/Cl 811669219 YFIQPLAPNFUFFQ-UKWJHIMFSA-N 227.735 3.734 30 20 BHED CCCC(=NOC/C=C/Cl)c1ccccc1 811670660 YJWIFLRGIUIKOW-AOGOTCISSA-N 237.730 3.960 30 20 BHED CCCC[C@@H](C)C(C)=NOCCOC(C)C 812239366 UCLSPBPJUIDYQZ-GFCCVEGCSA-N 229.364 3.630 30 20 BHED CCC[C@H](C=NOCC1CC1)c1ccccc1 814244412 RWHVPFIEZBRKSR-OAHLLOKOSA-N 231.339 3.983 30 20 BHED C[C@@H]1CCC(=NNc2nc3ccccc3s2)C1 814685562 SEXOYZMIGCYOKB-SECBINFHSA-N 245.351 3.884 30 20 BHED C=CCCSCC[C@@H]1CC1(Cl)Cl 818153295 RWPCWWQNMCUWOW-MRVPVSSYSA-N 225.184 3.880 30 20 BHED Cc1cccc(NN=C2CC(C)(C)C[C@H]2C)n1 863159769 DEALHDNJZKOQJL-SNVBAGLBSA-N 231.343 3.614 30 20 BHED CCCSC[C@H](C)Nc1ccc(CC#N)cc1 893576565 RPYYTAYODSWEDD-LBPRGKRZSA-N 248.395 3.696 30 20 BHED C=C(C)CNc1cc(NC(=O)C(C)C)ccc1C 917812796 IXKKFALANFCEAP-UHFFFAOYSA-N 246.354 3.578 30 20 BHED C=CCCN[C@H](C)c1coc2ccccc12 926686347 UUAZLUWGJSWUFZ-LLVKDONJSA-N 215.296 3.660 30 20 BHED CCN(CCC1C[C@H](C)C[C@@H](C)C1)[C@H](C)C#N 1174855212 ZDDYHHURAJDABU-MGPQQGTHSA-N 236.403 3.683 30 20 BHED C#CCCN[C@H](c1cccc(F)c1)C(C)(C)C 1321102936 BRIIVRBOYLAKBV-CQSZACIVSA-N 233.330 3.526 30 20 BHED C=C(C)CCC(=O)Nc1cccc(SC)c1 1336833083 DJBBXKCTHZPHGX-UHFFFAOYSA-N 235.352 3.703 30 20 BHED C=CCC[C@H]1CCCN1C(=O)C1CCC(=C)CC1 1514859612 TWADNJGYYUSCQQ-HNNXBMFYSA-N 247.382 3.690 30 20 BHED CC1(CSc2ccc(C#N)cc2F)CCC1 1640938892 DPXCPCHHBIDUDZ-UHFFFAOYSA-N 235.327 3.980 30 20 BHED Cc1nc(SCC2CCCCC2)ccc1C#N 1642146141 JLTQBBMPQVMWAR-UHFFFAOYSA-N 246.379 3.934 30 20 BHED C=CCNc1nc(-c2cccc(F)c2)cs1 8296817 KNTSATQPNHUXAX-UHFFFAOYSA-N 234.299 3.547 30 20 BHED C[C@H](NCC1CCCCC1)c1cccc(C#N)c1 37255319 HBBCMLSUVLRUEK-ZDUSSCGKSA-N 242.366 3.789 30 20 BHED CC[C@@H](C#N)C(=O)Nc1c(C)cccc1C(C)C 44810079 RIYAXQREVSPZDP-LBPRGKRZSA-N 244.338 3.607 30 20 BHED CC(C)(C#N)CCCOc1cccc(F)c1F 87609051 LJJXCMRGPBBMRZ-UHFFFAOYSA-N 239.265 3.674 30 20 BHED C=C(C)CN[C@@H](c1ccccc1C)C1CC1 124637704 KOJAIZNNDWMIFP-OAHLLOKOSA-N 215.340 3.612 30 20 BHED CC(C)(C#N)CCCOc1ccc2[nH]ccc2c1 126522085 PULPGVIKBJVFTD-UHFFFAOYSA-N 242.322 3.877 30 20 BHED C=CCOc1ccccc1CN[C@@H](C)C(C)(C)C 130817780 URNICOWQTYKRMZ-ZDUSSCGKSA-N 247.382 3.776 30 20 BHED CC#CCCSc1ccnc2ccccc12 155287389 ADDHKJDLCIGCOF-UHFFFAOYSA-N 227.332 3.740 30 20 BHED C=CC[C@@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 163340671 VGPUCMAPVCLRCU-RISCZKNCSA-N 248.326 3.600 30 20 BHED C[C@H]1CC[C@H](CNc2cccc(F)c2C#N)C1 230425959 OUWXIUPEKOQBDV-QWRGUYRKSA-N 232.302 3.545 30 20 BHED C=CC[C@H](CC)NC(=O)Nc1cccc(C)c1C 281220131 DAFWJPWRCMOZJY-ZDUSSCGKSA-N 246.354 3.780 30 20 BHED C=C1CCN(C(=O)c2sccc2C(C)C)CC1 354127135 MBGDAGIVXJTDHO-UHFFFAOYSA-N 249.379 3.664 30 20 BHED CC(C)CC1(CNc2cnccc2C#N)CCC1 354537198 IAMDRRMYAWVUAF-UHFFFAOYSA-N 243.354 3.582 30 20 BHED C=C(CC)CSC[C@@H]1CCC(C)(C)O1 358653941 HEMMRWPPLKSWLD-NSHDSACASA-N 214.374 3.643 30 20 BHED N#CC1(CCN2CC[C@@H]3CCC[C@@H]32)CCCCC1 411565425 FIGOOVMXKVOQLM-GJZGRUSLSA-N 246.398 3.725 30 20 BHED C=C(CC)CN[C@@H](CC(F)F)c1ccccc1 421001475 WZPINCUWMSSQPX-ZDUSSCGKSA-N 239.309 3.939 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCC1(C)C 424858211 XZIFTKHTCXOSLE-LBPRGKRZSA-N 237.387 3.531 30 20 BHED C=CCSCCc1ccc(CC)cc1 437267548 NCIAZPKLARRGHP-UHFFFAOYSA-N 206.354 3.711 30 20 BHED CC[C@H](CNCC(C)(C)CC#N)c1ccccc1 459736292 UONHSZZCUHXWAV-CQSZACIVSA-N 244.382 3.710 30 20 BHED C=CCCCC(=O)N(CCCC)[C@@H](C)CC 480868996 JHXJWMKNTLSNQX-ZDUSSCGKSA-N 225.376 3.770 30 20 BHED C=CCCCCCN(C)Cc1ccc(C)o1 536668953 UDVSHFGJCZOFJV-UHFFFAOYSA-N 221.344 3.766 30 20 BHED C=C(CC)CN(C)Cc1ccccc1Cl 537993938 TUJXAVCZAFAJMG-UHFFFAOYSA-N 223.747 3.738 30 20 BHED C=C(CC)Cn1cc(-c2ccc(C)cc2)cn1 539095190 BAZHCBHFZCRGPW-UHFFFAOYSA-N 226.323 3.825 30 20 BHED C=C(C)COc1cccc(Oc2cccnc2)c1 540860629 GCAHASLXEHHBPU-UHFFFAOYSA-N 241.290 3.829 30 20 BHED C=CCCNCC1CCC(C(F)(F)F)CC1 657582866 KGTHRGILLXPXFR-UHFFFAOYSA-N 235.293 3.521 30 20 BHED C#CCCCCC(=O)N[C@@H](C)CC1CCCCC1 709858284 QLUDJPIGAPXPRJ-AWEZNQCLSA-N 249.398 3.655 30 20 BHED CC1(C)CCCC1=NOCc1ccccc1 749859276 OJTACLPFKGXHJP-UHFFFAOYSA-N 217.312 3.769 30 20 BHED C[C@@H](CC=NOCC(F)(F)F)c1ccccc1 755795891 GYUITNRJGNZZQU-JTQLQIEISA-N 245.244 3.745 30 20 BHED C#CCCN1CCC[C@@H]1c1ccc(Cl)cc1 760808477 KLPIKQICJIALRC-CQSZACIVSA-N 233.742 3.500 30 20 BHED C#CCCCN1CCCCC[C@H]1c1ccc(C)o1 766904155 XNBFRLZXHPTKJN-HNNXBMFYSA-N 245.366 3.919 30 20 BHED C#CCCCN(C)[C@@H](CC)Cc1ccc(C)cc1 766904414 ZMBGEMBSNGIMQL-KRWDZBQOSA-N 243.394 3.661 30 20 BHED CC(=NN[C@@H]1CCCCC1(C)C)C1CCC1 773123096 DMEGRYHRXMXHCF-CYBMUJFWSA-N 222.376 3.721 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C/c1ccsc1 775924140 IGLKSHMTIPQFMF-GUOLPTJISA-N 249.379 3.622 30 20 BHED C[C@H](NN=Cc1ccccc1Cl)C(C)(C)C 793116865 VBBCPJKFARPCPQ-JTQLQIEISA-N 238.762 3.698 30 20 BHED C[C@H]1CCCC(=NNCC2CCCC2)[C@H]1C 808006085 OMEAJMVAFDFDNH-RYUDHWBXSA-N 222.376 3.578 30 20 BHED C=CCC(F)(F)C(=O)N[C@H](C)CCC(C)(C)C 815659544 FBNMZCYZCCMFOJ-SNVBAGLBSA-N 247.329 3.529 30 20 BHED CCCCCC1=CCCC1=NNc1ccncn1 835001848 KRMGKAXHEMJWJZ-UHFFFAOYSA-N 244.342 3.545 30 20 BHED C=CC(C)(C)C(=O)O[C@@H](C)c1ccc(OC)cc1 835258252 JXMXFZVJPKXHJE-NSHDSACASA-N 248.322 3.512 30 20 BHED C=CC(C)(C)C(=O)Oc1cccc(Cl)c1F 835320341 SWTKBFHKQVNZSC-UHFFFAOYSA-N 242.677 3.597 30 20 BHED C[C@@H](SCCOC1CC1)c1ccc(C#N)cc1 902327877 XTRBPAJUKPDMAW-LLVKDONJSA-N 247.363 3.531 30 20 BHED C=CC(C)(C)Cc1nc(-c2cccc(F)c2)no1 904534763 VVJAZHOXQMLUAF-UHFFFAOYSA-N 246.285 3.630 30 20 BHED CCCCCCC[C@H](C)CNC(=O)[C@H]1C[C@@H]1C 917872977 SNJUXHKKUHXHDO-IHRRRGAJSA-N 239.403 3.755 30 20 BHED Cc1cc(C)c(C#N)c(NC2CCC(C)CC2)n1 25369902 PCFAYYLUTKWUPS-UHFFFAOYSA-N 243.354 3.561 30 20 BHED CC(C)CNc1ccc(C#N)cc1C(F)(F)F 36973620 SEJJQKCGAHNERM-UHFFFAOYSA-N 242.244 3.645 30 20 BHED CC[C@H](CC#N)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 54183682 IWXISXPBWQFNKF-GBJTYRQASA-N 234.387 3.627 30 20 BHED CC[C@H](Cc1ccc(C)cc1)N(CC)CCC#N 75885697 KPBHUBUZTJSENB-MRXNPFEDSA-N 244.382 3.552 30 20 BHED C=C(C)CN(CC)C(=O)/C=C(/C)c1ccccc1 77584065 VIWDAKOBIBWIJW-KAMYIIQDSA-N 243.350 3.515 30 20 BHED C=CCNc1ccccc1SC[C@H](C)C#N 89105065 IZEFATHIKRIWSF-LLVKDONJSA-N 232.352 3.536 30 20 BHED N#CCC1(CSc2cccc(F)c2)CC1 94623149 XMVLJFCONUJGMM-UHFFFAOYSA-N 221.300 3.612 30 20 BHED CC[C@H](C)[C@H](C)N(CCCCC#N)C1CC1 104967252 PXPLNMDKCABGLF-STQMWFEESA-N 222.376 3.579 30 20 BHED C=CC[C@@H](C)NC(=O)[C@@H](CCC)c1ccccc1 116852788 NJRJAQPQIAAKOK-HIFRSBDPSA-N 245.366 3.651 30 20 BHED CCCCCCCCN[C@@H]1CCO[C@H](C)C1 126795361 VOJLCXGMIIPACQ-ZIAGYGMSSA-N 227.392 3.504 30 20 BHED C=CCC[C@H](C)N[C@@H](C)CCc1ccc(O)cc1 130574565 PJGDWIVBELGNRP-KBPBESRZSA-N 247.382 3.658 30 20 BHED C=CCOc1ccc(CN[C@H]2CC[C@H](C)C2)cc1 131184803 HWXPACKKPOVXEE-ZFWWWQNUSA-N 245.366 3.530 30 20 BHED C=CCCN[C@H](CC)c1cccc(Cl)c1 162193945 MBEQJWIKVCPBNU-CYBMUJFWSA-N 223.747 3.957 30 20 BHED C=CCOc1ccc(Oc2nccs2)cc1 165343534 XDQXGMXCIJUAFB-UHFFFAOYSA-N 233.292 3.500 30 20 BHED C=C(C)C[C@@H](C)C(=O)Nc1c(C)cccc1OC 195010550 WTZYSMORYNKYLC-GFCCVEGCSA-N 247.338 3.544 30 20 BHED C=CCN[C@@H](c1ccc(F)cc1)C(C)(C)C 195608071 QCBJEKMYLWWHGO-ZDUSSCGKSA-N 221.319 3.689 30 20 BHED CC(C)[C@@H](C)Sc1ccc(C#N)cc1 230923533 MIMYIZJNHLTYID-SNVBAGLBSA-N 205.326 3.695 30 20 BHED Cc1ccccc1C(=O)/C=C\c1scnc1C 255116425 MGTGZIFEHPKVJK-FPLPWBNLSA-N 243.331 3.656 30 20 BHED C=CCCC(=O)N(CC)[C@@H](CC)c1ccccc1 263640338 AFJBWTCQPRSDEQ-HNNXBMFYSA-N 245.366 3.952 30 20 BHED C=CC[C@H](CC)NC(=O)C[C@@H](C)c1ccccc1 281372046 NGSTVHNINXYHOU-HIFRSBDPSA-N 245.366 3.651 30 20 BHED C[C@H](CNc1ccc(CC#N)cc1)C(C)(C)C 306068480 YYLTUNHSNVNUIQ-GFCCVEGCSA-N 230.355 3.847 30 20 BHED C=CCCCCC[C@@H](C)NC[C@@H]1CCCS1 309582149 QQTYLACYFQPTAZ-KGLIPLIRSA-N 241.444 3.997 30 20 BHED C#CCCN[C@H](c1cccs1)C(CC)CC 310012797 JGZAKJUGQWQKOX-AWEZNQCLSA-N 235.396 3.838 30 20 BHED CC1(C)CC[C@H](Nc2cccc(CC#N)c2)C1 313432171 XUZQBUFXYLWCDS-AWEZNQCLSA-N 228.339 3.743 30 20 BHED CC[C@H](N[C@@H]1CCC[C@H]1C)c1ccc(C#N)cc1 337566110 YHJKOPJZLWRHKQ-UHOFOFEASA-N 242.366 3.788 30 20 BHED C=CCCC(=O)Nc1ccccc1C(F)F 425075178 PKLGNCQAEUKNPJ-UHFFFAOYSA-N 225.238 3.529 30 20 BHED C=CCCCC[C@H](C)NCCc1ccco1 449063832 RHGGKRFGADIMDA-ZDUSSCGKSA-N 221.344 3.547 30 20 BHED C=C(C)CCN[C@@H](C)C1CCC(F)(F)CC1 449480608 ZHCHLMVBLXALCW-NSHDSACASA-N 231.330 3.756 30 20 BHED CC#CCCN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C 462337865 QZJJSJIKSMFOJT-STQMWFEESA-N 245.341 3.547 30 20 BHED C=CCN[C@H]1CCCC[C@H]1Cc1ccccc1 481175577 WRUMZVCKSINFAI-HOTGVXAUSA-N 229.367 3.564 30 20 BHED C=C(C)CN(CC)[C@@H](C)c1ccccc1[N+](=O)[O-] 488611213 QIJFGKSXQOITET-LBPRGKRZSA-N 248.326 3.554 30 20 BHED C=C(C)CCN1CCCC12CCCCC2 509020515 DYJNHWBGBGBQTG-UHFFFAOYSA-N 207.361 3.751 30 20 BHED C[C@@H](N(C)CC(C)(C)CCC#N)C(C)(C)C 536655623 MLIGUSPFOBAIBQ-GFCCVEGCSA-N 224.392 3.683 30 20 BHED C=C(CC)CN1CCCC[C@H](SCC)C1 540204101 KCGIJJIEXOOLTF-ZDUSSCGKSA-N 227.417 3.560 30 20 BHED C[C@@H](c1ccccc1F)N1CCC[C@H](CC#N)C1 595610784 CCPPNUCKCYQGJV-QWHCGFSZSA-N 246.329 3.512 30 20 BHED C[C@H]1c2ccsc2CCN1C[C@H](C)CCC#N 602434830 FPXAQPVOMCPFFP-NEPJUHHUSA-N 248.395 3.607 30 20 BHED Cc1c(NC[C@H](C)CCC#N)ccc(F)c1F 602695325 MLEVBMVYGQMNFU-SECBINFHSA-N 238.281 3.625 30 20 BHED C=CCCC(C)(C)NCc1ccncc1Cl 623575075 IXSSTQNKQKAQBN-UHFFFAOYSA-N 238.762 3.569 30 20 BHED C=CC[C@H](CC)NC(=O)C[C@H](C)CC(C)(C)C 684939821 WNPRHLYCRGWVHL-STQMWFEESA-N 239.403 3.920 30 20 BHED C=CCCCC(=O)O[C@@H](C)c1ccccc1C 749028710 KWURGQCJQBRTGH-ZDUSSCGKSA-N 232.323 3.956 30 20 BHED CCC(=NNc1ccc(OC)cc1)C(C)C 750945847 JPNNFRMXTJFDFU-UHFFFAOYSA-N 220.316 3.529 30 20 BHED C=CCC[C@H](CC)N[C@H](C)COc1ccccc1 772950712 PDHIOUVRYLMUID-CABCVRRESA-N 247.382 3.788 30 20 BHED C=C(CC)COC(=O)c1cc2ccccc2o1 773423501 FZFCYQMJCDTUCG-UHFFFAOYSA-N 230.263 3.556 30 20 BHED C=C(CNC(=O)CCCCCC)c1ccccc1 807797443 GNWUVRXHGVRTGN-UHFFFAOYSA-N 245.366 3.786 30 20 BHED CCOCCON=C1CCC2(CCCC2)CC1 811648998 XMHFKFHDIFSWOS-UHFFFAOYSA-N 239.359 3.530 30 20 BHED C=C(C)CCNC(=S)Nc1cccc(C)c1C 840793636 VXBYZQQMQYKFLQ-UHFFFAOYSA-N 248.395 3.556 30 20 BHED CC(CCCCC#N)=NOCc1ccccc1 841620618 UXPGOHCMHIBZEA-UHFFFAOYSA-N 230.311 3.663 30 20 BHED Clc1cc(NN=C2CC[C@@H]2C2CCC2)ccn1 853395470 YMTFTGUTNJGPEP-LLVKDONJSA-N 249.745 3.713 30 20 BHED CC1(C)CCC(C)(CN[C@H]2CC[C@H](C#N)C2)CC1 1182396844 KNVRLIVOGXSWIA-KBPBESRZSA-N 248.414 3.875 30 20 BHED N#Cc1ccnc(/C=C/c2sccc2Cl)c1 1328934926 MLASEAFIBCEKPW-OWOJBTEDSA-N 246.722 3.839 30 20 BHED CC1(C)CCC[C@H](CN2CCC[C@](C)(C#N)C2)C1 1461998586 PRHSPLVYCYKQGD-GOEBONIOSA-N 248.414 3.828 30 20 BHED COc1cccc([C@@H](C)S[C@H](C#N)C2CC2)c1 1613623571 WMRZHGOTINGCMX-QMTHXVAHSA-N 247.363 3.792 30 20 BHED C=CCN[C@H](C)c1ccc(Cl)cc1Cl 19875862 LGTPOKPBCFORJQ-MRVPVSSYSA-N 230.138 3.830 30 20 BHED Cc1cc(CNc2ccccc2C#N)ccc1F 50682603 DLTZZWBNZGSJPU-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=CCCCNc1ccc(F)c(Cl)c1 96867231 CXHFGSRDYXTJQR-UHFFFAOYSA-N 213.683 3.857 30 20 BHED C=C(C)CN[C@H](C)c1ccc(F)cc1Cl 160643744 ZRRCJZFFXLPKDL-SECBINFHSA-N 227.710 3.706 30 20 BHED C=C(C)CSCC(=O)Nc1cccc(C)c1C 177867302 HQVVNMVKTWAMOV-UHFFFAOYSA-N 249.379 3.551 30 20 BHED C=CCN[C@@H](CCC)c1ccc(F)cc1F 181666415 PQMQNKJRUCGLKR-ZDUSSCGKSA-N 225.282 3.582 30 20 BHED C=CCN(Cc1ccccc1)C(=O)C[C@H](C)CC 188514210 ZAKNYPAJOUIYDM-CQSZACIVSA-N 245.366 3.637 30 20 BHED C=C(CC)CNC1CCC(C(F)(F)F)CC1 313486247 VETMWAQNMMKEEE-UHFFFAOYSA-N 235.293 3.663 30 20 BHED C=C(CC)CN[C@@H](C)CCCC(F)(F)F 313494361 HKVYBAZTPIEBNG-JTQLQIEISA-N 223.282 3.663 30 20 BHED C=CCC[C@H](C)Nc1cccc(OC)c1F 390523163 FYJGJWAYEULMLQ-JTQLQIEISA-N 223.291 3.601 30 20 BHED CCCCCCCCCN[C@@H](C)CC#N 393613576 KHVKBXUYUJJNRM-ZDUSSCGKSA-N 210.365 3.629 30 20 BHED N#CCC1CCN([C@H]2C=CCCCCC2)CC1 397174720 GBTSTIDBLJLZJC-HNNXBMFYSA-N 232.371 3.501 30 20 BHED CC#CCSC[C@@H](OC(C)C)c1ccccc1 427686151 PSZVYNYPRLWIST-OAHLLOKOSA-N 248.391 3.909 30 20 BHED C=C(C)CCN[C@H](CC)c1ccc(C#N)cc1 453309086 DEUZRVVIWOCXPQ-OAHLLOKOSA-N 228.339 3.565 30 20 BHED C=C(C)CNC(=O)Nc1cccc(CC)c1CC 487646153 MTAILUFYYWNHJM-UHFFFAOYSA-N 246.354 3.509 30 20 BHED C=CCCCCCN1CC[C@@H]2CCC[C@@H]21 489025987 JQQPWZXVDPVDBW-KBPBESRZSA-N 207.361 3.607 30 20 BHED C=CCCC[C@H](C)NC1CC(OC(C)(C)C)C1 495025320 HALXJDOCLYJXKI-HSBZDZAISA-N 239.403 3.667 30 20 BHED C=CCS[C@@H](C)CCc1ccccc1 524460067 VIABBNCKDIYYJE-LBPRGKRZSA-N 206.354 3.927 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@H]1CCC(C)=C(C)C1 563172674 JXGXBHSJPIUXTG-CQSZACIVSA-N 249.398 3.841 30 20 BHED C=CCN(C(=O)CC[C@H](C)CC)C(C)(C)C 622945849 VYPNCYGBKDLJJJ-GFCCVEGCSA-N 225.376 3.626 30 20 BHED C=CC[C@@H](CC)NCc1ccc(F)c(F)c1F 657456195 QRRVZJJNYPQFEO-SNVBAGLBSA-N 243.272 3.548 30 20 BHED CCCCCCCNC1CCC(OCC)CC1 703724032 SPHUFGAUGRNXET-UHFFFAOYSA-N 241.419 3.894 30 20 BHED C=CC[C@@H](C)NC(=S)Nc1ccc(C)cc1C 734986327 KAOUNDWUWYLLHL-GFCCVEGCSA-N 248.395 3.554 30 20 BHED CCC(=NNc1nccc2sccc12)C1CC1 741162944 KQTPDZBWSPKYQI-UHFFFAOYSA-N 245.351 3.884 30 20 BHED C=C(C)CCOC(=O)[C@H](CC)CCCC 744303121 MNMPSUGQNGDKQP-GFCCVEGCSA-N 212.333 3.712 30 20 BHED CCCCCCCC(=O)N[C@@H](C)CC(C)C 752229205 HNLCGIVELRTUSQ-ZDUSSCGKSA-N 227.392 3.898 30 20 BHED CCCCCCC[C@@H](C)CNC(=O)C1(C)CC1 760383711 GLWOIFDVPMCQRS-CYBMUJFWSA-N 239.403 3.899 30 20 BHED C=CC[C@@H]1N(C[C@@H]2CCC=CO2)CCCC1(C)C 775179156 LJMKTPAGYINBNJ-GJZGRUSLSA-N 249.398 3.746 30 20 BHED Cc1ccc(C=NOCCC(F)(F)F)c(C)c1 777458794 DEYDNYBNNNODFH-UHFFFAOYSA-N 245.244 3.606 30 20 BHED CC[C@@H]1CCCCC1=NOC1CCCC1 779784290 KRERMRGCYJJNBM-LLVKDONJSA-N 209.333 3.902 30 20 BHED CC(C[C@H](C)CC(C)C)=NO[C@H]1CCCCO1 779784539 QDWFJEHDJWWWOS-OCCSQVGLSA-N 241.375 3.978 30 20 BHED CCCC(CC)=NNCC1(C)CCCC1 793083604 BMRVFEGSFUGMHE-UHFFFAOYSA-N 210.365 3.722 30 20 BHED C[C@H](C=NNc1cccc(Cl)n1)C(C)(C)C 793181653 WOWBJUKZYIZEOR-SECBINFHSA-N 239.750 3.815 30 20 BHED CCCC1CCC(C=NOCCSC)CC1 794573472 DDGMRZANTLYUSZ-UHFFFAOYSA-N 243.416 3.958 30 20 BHED CC[C@H]1CC[C@H](C)CC1=NNc1ccnc(F)c1 797403241 FGCHKSKCNVSIFK-QWRGUYRKSA-N 249.333 3.835 30 20 BHED Cc1ccc(F)c(NN=CCCC2CC2)c1 807977102 VTKPJHIZNOURJE-UHFFFAOYSA-N 220.291 3.722 30 20 BHED C[C@@H](C=NOC1CCC1)CCc1ccccc1 812235032 IRAUOAOMXIDITH-CYBMUJFWSA-N 231.339 3.810 30 20 BHED CC(C)C(Cc1ccc(F)cc1)=NOCC1CC1 814242222 VXYGCNKYUIGZTG-UHFFFAOYSA-N 249.329 3.807 30 20 BHED CC1CC(=NNc2cc(Cl)nc(Cl)c2)C1 819828924 VCTKZCNPTLHLBB-UHFFFAOYSA-N 244.125 3.586 30 20 BHED CC(C)SCOc1cc(Cl)ccc1C#N 863314444 KHIYOMQAYLSLPQ-UHFFFAOYSA-N 241.743 3.690 30 20 BHED C[C@@H](NN=Cc1ccc(F)cc1)c1ccccc1 920386083 PQPJYZASXXIHAH-GFCCVEGCSA-N 242.297 3.510 30 20 BHED CCCCCCCC(=O)N[C@H]1CCC[C@H](F)C1 1327150859 OOVQSQBUIZHVNU-STQMWFEESA-N 243.366 3.744 30 20 BHED C[C@H](SCC1(CC#N)CC1)c1cccnc1 1328037115 ACELPNIYYQKYLU-NSHDSACASA-N 232.352 3.570 30 20 BHED C=CCN(C)Cc1ccc(C(C)(C)C)cc1 61780603 FWSMNBLQJJLEPZ-UHFFFAOYSA-N 217.356 3.602 30 20 BHED CCc1ccc(C(=O)/C=C/c2cccnc2)s1 71802191 SXNUSBVRYYDKGA-FNORWQNLSA-N 243.331 3.602 30 20 BHED C=CCc1ccccc1OCc1nc(C)cs1 88509530 CTIWHGXFYFYOKC-UHFFFAOYSA-N 245.347 3.759 30 20 BHED CN(CC1CCCC1)c1ccc(Cl)cc1C#N 110513652 MHPLQXIZLPMEPN-UHFFFAOYSA-N 248.757 3.838 30 20 BHED C=CCCNCc1ccc2cc(OC)ccc2c1 161735643 OYEKJMLIOKTMOB-UHFFFAOYSA-N 241.334 3.514 30 20 BHED CC(C)Cc1ccc(CN(C)[C@@H](C)CC#N)cc1 161748545 JGTOCJHNZIEMNV-AWEZNQCLSA-N 244.382 3.619 30 20 BHED CC(C)CCC[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 185759018 BKKKTIFHRAVHBG-SOUVJXGZSA-N 236.403 3.873 30 20 BHED C=C(C)CN(C)[C@H](C)c1ccc(F)cc1F 194985784 MBXBDRQOANOKCS-SNVBAGLBSA-N 225.282 3.534 30 20 BHED C[C@@H]1CC[C@@H](NCC(C)(C)CCC#N)[C@H](C)C1 253034660 VSZXDRLFNYAHPO-MGPQQGTHSA-N 236.403 3.731 30 20 BHED C[C@@H](CCC(C)(C)C)Nc1ccc(C#N)cn1 301358506 ZHZNNZGBSPXSGA-NSHDSACASA-N 231.343 3.580 30 20 BHED C=CCCCN[C@@H](c1ccccc1)C(C)C 303080896 IZXSCIYCWAVALI-OAHLLOKOSA-N 217.356 3.940 30 20 BHED C=C(CC)CSc1ncccc1Cl 308308829 PVTLBYUCAXLHQI-UHFFFAOYSA-N 213.733 3.793 30 20 BHED C=C(C)CCN[C@H](c1cccs1)C1CC1 309078801 NJTGWJXSSCQUGN-ZDUSSCGKSA-N 221.369 3.755 30 20 BHED C=CCCCCCCN[C@@H]1CCC[C@H]2C[C@H]21 309240745 WQCFVDYUXZCWFO-RRFJBIMHSA-N 221.388 3.901 30 20 BHED C=CCCCCC[C@H](C)N[C@H]1CSC[C@@H]1C 309540326 FRYITNWADVUVBI-IHRRRGAJSA-N 241.444 3.853 30 20 BHED C=C(C)CCNC1(c2ccccc2)CCC1 309629993 QYORQYPSQTUSAZ-UHFFFAOYSA-N 215.340 3.622 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1sccc1OC 309726189 XZALZPUXCBCQOH-QWRGUYRKSA-N 239.384 3.762 30 20 BHED Cc1sccc1CNc1cccc(C#N)c1C 352828122 XGDVFUYMBAVARN-UHFFFAOYSA-N 242.347 3.849 30 20 BHED C=C[C@@H](C)NC[C@H](C)c1cccc(Cl)c1 382354716 GBAFZFZVEAHASD-WDEREUQCSA-N 223.747 3.608 30 20 BHED C[C@@H]1CCN(CCC2(C#N)CCCCC2)[C@@H]1C 411329301 KNKVDCLWUJFNNQ-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED C=CCCCC[C@H](C)N[C@H]1CS[C@@H](C)C1 414219754 BNYQQOAOQMPXED-RWMBFGLXSA-N 227.417 3.605 30 20 BHED CCCC1CCC(N[C@@H]2CC[C@H](C#N)C2)CC1 424193827 KYAQCNMHFUIOKS-OOJKYFRXSA-N 234.387 3.627 30 20 BHED CC(C)CC[C@@H]1CC[C@H](N[C@@H]2CC[C@H](C#N)C2)C1 424195103 CJUHRRCVDXGTPP-FXUDXRNXSA-N 248.414 3.873 30 20 BHED C=CCC1(C(=O)N2CCC[C@H](C)C2)CCCCC1 448559742 XNXLZHNZAOFKNM-AWEZNQCLSA-N 249.398 3.772 30 20 BHED C=CCCc1csc(-c2c(C)noc2C)n1 450961517 ATIKSVVQUBIKOY-UHFFFAOYSA-N 234.324 3.534 30 20 BHED CCC[C@@H](C)[C@H](CC)NCc1cccc(C#N)c1 480833056 YBIDZMYSQZJOFY-CJNGLKHVSA-N 244.382 3.863 30 20 BHED C=CCC[C@H](CC)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 520290184 WPGYQITZVFERBL-QSPRXWTASA-N 241.378 3.659 30 20 BHED C=CCC[C@H](CCC)Nc1cn(C)nc1CC 545272199 XXYVZPHZUOTGLK-LBPRGKRZSA-N 235.375 3.529 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 556345674 VRCUGJFMTJCQTQ-BFHYXJOUSA-N 249.398 3.674 30 20 BHED C[C@H]1C[C@H](C)CC[C@@H]1N[C@H](C#N)c1ccccc1 595439990 LKRUHAOXLDLXJS-BFJAYTPKSA-N 242.366 3.666 30 20 BHED N#CCC1(COc2cccc(C3CC3)c2)CC1 596303879 DVOKFRYDNRZDJW-UHFFFAOYSA-N 227.307 3.637 30 20 BHED N#C[C@H](S[C@H]1CCc2ccccc2C1)C1CC1 601084789 CNAGGJINCDWOER-GJZGRUSLSA-N 243.375 3.579 30 20 BHED CC(C)C[C@H](C)CC(=O)Nc1cccc(C#N)c1 609009122 FQYCXVCVUNMEOQ-LBPRGKRZSA-N 244.338 3.569 30 20 BHED C=CCCCSCc1ccc(C#N)cc1F 609805025 LMCADLHBSUTOIE-UHFFFAOYSA-N 235.327 3.897 30 20 BHED C=CCCCCCn1ccnc1C1CC1 629260351 ZKPAUXRRNMJGRA-UHFFFAOYSA-N 204.317 3.507 30 20 BHED C[C@H](CC(C)(C)C#N)N[C@@H]1CCCC(C)(C)C1 695816852 PJAXLWRGMZLWLA-CHWSQXEVSA-N 236.403 3.873 30 20 BHED CCCCCCCCC(=O)Nc1ncc(C)o1 754615743 KVFBWWRSRXVDAP-UHFFFAOYSA-N 238.331 3.672 30 20 BHED CC[C@@H]1CCCC1=NNc1ccc(F)cc1F 758357882 CDSYMWNBUXSJDG-SECBINFHSA-N 238.281 3.943 30 20 BHED CCCCCCC[S@](=O)C[C@H](C)CC 764562132 FNNYGBZVROXWAN-OCCSQVGLSA-N 218.406 3.752 30 20 BHED CCC/C(C)=C/C(=O)Nc1cccc(C#N)c1C 770334835 WNJVHCQYQKXOMI-PKNBQFBNSA-N 242.322 3.552 30 20 BHED C=C(Cl)CN[C@@H]1CCC[C@@H]1Cc1ccccc1 773004599 MLEPYOFGRYXVNB-HUUCEWRRSA-N 249.785 3.740 30 20 BHED CC(CCc1ccco1)=NNCCC(C)(C)C 782902622 FPNJKQRTVCIAJZ-UHFFFAOYSA-N 236.359 3.614 30 20 BHED CC1(C)CCCC(=NNc2cccc(F)n2)C1 795007377 XJQOLQRZUABBGN-UHFFFAOYSA-N 235.306 3.589 30 20 BHED C1CCC(NN=C2CCCC23CCCC3)C1 814832460 GATCBHNYFVJPAI-UHFFFAOYSA-N 220.360 3.619 30 20 BHED CC(=NOC/C=C/Cl)c1csc(C)c1 834980329 WROHFEYIIPKZOD-GTAVMOOUSA-N 229.732 3.550 30 20 BHED Cc1cccc(Cl)c1CON=C1CCC1 842030642 JWJAESLNMHPGHX-UHFFFAOYSA-N 223.703 3.705 30 20 BHED CCCON=C(C)CCc1ccc(F)cc1 842557620 PPPNIUJPLQOPEA-UHFFFAOYSA-N 223.291 3.561 30 20 BHED C=CCCN[C@@H](C)c1cc(C)c(OC)cc1C 850502099 KLYLPNOHPWMSFG-ZDUSSCGKSA-N 233.355 3.539 30 20 BHED C=CCN(C(=O)/C=C\c1ccsc1)C(C)(C)C 857651197 UZHSEDGCOSRHCF-SREVYHEPSA-N 249.379 3.574 30 20 BHED N#CC1(CCCCOC(=O)C2=CCCC2)CCC1 909076365 PQKZZODQKAGZMW-UHFFFAOYSA-N 247.338 3.504 30 20 BHED CC(C)=CCC/C(C)=C\C=NNc1ncccn1 912973387 XXHPPWAWDCFJTO-BYWKLKQTSA-N 244.342 3.567 30 20 BHED C#CCCN(CCCCC)Cc1ccc(F)cc1 920415681 BAZMDRXHACQAQG-UHFFFAOYSA-N 247.357 3.841 30 20 BHED C=C[C@@H](CC)CC(=O)O[C@H](C)c1cnccc1C 1344595561 NXTQEZKDEBAKBV-OLZOCXBDSA-N 247.338 3.597 30 20 BHED CC(C)(C)CC(C)(C)NCc1cccc(C#N)c1 35257244 DQOWRKXYNMRRJD-UHFFFAOYSA-N 244.382 3.863 30 20 BHED N#Cc1ccc(NC2CCC2)c(C(F)(F)F)c1 44481010 ZPLVUGVPNSFUNC-UHFFFAOYSA-N 240.228 3.541 30 20 BHED CC[C@@H](Nc1ccc(C#N)cn1)c1ccccc1 50197631 VMONCKWAWADDKO-CQSZACIVSA-N 237.306 3.516 30 20 BHED CC[C@@H](C#N)Sc1cccc(Cl)c1 54185552 VAHRSLYEOXWKST-VIFPVBQESA-N 211.717 3.734 30 20 BHED CCCCCCCCCN(C)[C@@H](C)CC#N 108878263 UNBCOQZEPNYMEV-AWEZNQCLSA-N 224.392 3.971 30 20 BHED CCCCCCCCCN1CCC(C#N)CC1 113368180 NKKRNDVBOGESCU-UHFFFAOYSA-N 236.403 3.973 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@](C)(CC)C1 151014982 MFRPTHXULLMUIG-INIZCTEOSA-N 249.398 3.794 30 20 BHED N#Cc1cc(CSC2CCCC2)ccc1F 158046157 OTVRMWQOCCGCDX-UHFFFAOYSA-N 235.327 3.873 30 20 BHED N#C[C@@H]1CCC[C@H](NCc2ccccc2Cl)C1 185759136 GVLMBKLIICLNCW-YPMHNXCESA-N 248.757 3.512 30 20 BHED C=C[C@@](C)(CC)C(=O)N1C[C@H](C)c2ccccc21 190632331 NILFNTCLAGWEPC-LRDDRELGSA-N 243.350 3.739 30 20 BHED C=CCC[C@H](CCC)N[C@H]1CCCc2cn[nH]c21 271493872 KVXLVPNRPITNDN-KBPBESRZSA-N 247.386 3.512 30 20 BHED C=CCCC[C@@H](C)Nc1ccc([N+](=O)[O-])s1 309798958 VZYNCEZGHYNVKC-SECBINFHSA-N 240.328 3.813 30 20 BHED Cc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1Cl 381540612 HRQXJNFEIRTDAN-MNOVXSKESA-N 234.730 3.753 30 20 BHED Cc1cccc([C@H](C)SCCC#N)c1 413012013 KQRKDOKENAWNNF-NSHDSACASA-N 205.326 3.703 30 20 BHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCC1(CC#N)CC1 430745750 ZQYWQBDFXIAVIP-KFWWJZLASA-N 248.414 3.731 30 20 BHED C=CC(C)(C)C(=O)N[C@@H](C)CC1CCCCC1 451229689 MTIIUILBTMQRIG-LBPRGKRZSA-N 237.387 3.674 30 20 BHED C=CCC1(NC(=O)c2ccsc2)CCCCC1 456371232 DFXFTVVQUIPANP-UHFFFAOYSA-N 249.379 3.757 30 20 BHED C=CCCCSCc1ccc2c(c1)OCO2 478765503 MZWBJZZRSYLKMK-UHFFFAOYSA-N 236.336 3.615 30 20 BHED CC(C)=CCSCc1cccc(C#N)c1 565621171 SFGVCEBYTDRNPQ-UHFFFAOYSA-N 217.337 3.758 30 20 BHED C=CCCN(C)[C@H](c1ccccc1)C(C)C 571770671 PYQGQKDSQSDZFX-HNNXBMFYSA-N 217.356 3.892 30 20 BHED C=CCCC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C 588023182 HBXDOCCTYMBVKR-CHWSQXEVSA-N 237.387 3.674 30 20 BHED N#CC1(CCN2CCC[C@H]2C2CC2)CCCCC1 591013115 UOYIVUAWVYVOIC-HNNXBMFYSA-N 246.398 3.725 30 20 BHED C=CC[C@@H]1CCCN([C@@H](C#N)c2ccccc2)C1 595658077 HFYBSHFENLYNPM-ZBFHGGJFSA-N 240.350 3.539 30 20 BHED CCC1(CC)CCCN([C@@H](C)CCC#N)C1 595750903 ALQWCHCMRHPGQT-ZDUSSCGKSA-N 222.376 3.581 30 20 BHED C=CC(C)(C)CNCc1cc2ccncc2s1 657481571 SEVYMOGZSWTTMI-UHFFFAOYSA-N 246.379 3.598 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CS[C@H](C)C1 658033670 HRBMTGHLLXTRIL-SYQHCUMBSA-N 239.428 3.605 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCS[C@H]1C 658042281 CACFLFRMHJJERM-CRWXNKLISA-N 239.428 3.605 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCc2ccc(O)cc21 658237208 CKPGLCQYVDGQRN-HWWQOWPSSA-N 245.366 3.570 30 20 BHED C=C(C)COC(=O)C[C@H](c1ccccc1)C(C)C 728639709 SVICQYQBZJLMFT-HNNXBMFYSA-N 246.350 3.936 30 20 BHED CCC[C@@H](C)C(CC)=NNc1cc(C)nc(C)n1 748248404 FOWOMLVJZGWYNQ-SNVBAGLBSA-N 248.374 3.708 30 20 BHED C[C@@H](CC=NO[C@@H]1CCCCO1)c1ccccc1 755820594 XBFICUSMIRJBBY-DZGCQCFKSA-N 247.338 3.709 30 20 BHED CCCCCCCn1ccc(-c2nccs2)n1 766118666 ZGFDUUQKOBNVJU-UHFFFAOYSA-N 249.383 3.977 30 20 BHED C(=NNc1ccc2[nH]ncc2c1)C1CCCCC1 779817701 RBSQSMAXFZWPFQ-UHFFFAOYSA-N 242.326 3.541 30 20 BHED CCCC[C@@H](C)C(C)=NO[C@@H]1CCCCO1 807982335 XLDLDNBKQIBYFW-DGCLKSJQSA-N 227.348 3.732 30 20 BHED C#CCCCCCC(=O)N(C)[C@@H](C)CCCC 811960323 UDGIJMXSSQJADB-AWEZNQCLSA-N 237.387 3.607 30 20 BHED C=C[C@H](CC)CC(=O)N1CC[C@H](C2CCCC2)C1 823090972 FZMSYILBPNQIQU-HIFRSBDPSA-N 249.398 3.627 30 20 BHED CC(=NNc1ccc(F)cn1)[C@@H]1CCCC[C@H]1C 834957062 RYVQDCZJPKZUMA-ZWNOBZJWSA-N 249.333 3.835 30 20 BHED C=C[C@H](C)ON=C1CC(c2ccccc2C)C1 844621637 JNFOYTLEQPOFAB-UEWDXFNNSA-N 229.323 3.820 30 20 BHED CC(C)c1cccc(C(=O)OCCCCC#N)c1 850281150 AAALMDCOALBLOY-UHFFFAOYSA-N 245.322 3.661 30 20 BHED CCC(C#N)(CC)C(=O)Oc1cc(C)ccc1C 860454929 RUGYORPHWAKVBP-UHFFFAOYSA-N 245.322 3.539 30 20 BHED CC(C)(C)SCCCSCCC#N 865371079 SVHPNNZPIRAEEN-UHFFFAOYSA-N 217.403 3.555 30 20 BHED Clc1ccccc1CNN=C[C@H]1CC=CCC1 918152546 HBSKMVBMLLWSBM-LBPRGKRZSA-N 248.757 3.772 30 20 BHED CC(CCCC(F)(F)F)=NOC(C)(C)C 1320399653 UBILKBXCXDESJL-UHFFFAOYSA-N 225.254 3.910 30 20 BHED C=C(C)CN1CCC[C@H]1c1ccccc1C 52212233 BZEMORMJARZQIJ-HNNXBMFYSA-N 215.340 3.708 30 20 BHED C#Cc1c(Cl)cc(Cl)cc1Cl 62605370 IAEFAPDXQDZALB-UHFFFAOYSA-N 205.471 3.628 30 20 BHED CCCCCCCCCS[C@@H](C)C(=O)O 78962091 WWVAPMNXRAZUMV-NSHDSACASA-N 232.389 3.943 30 20 BHED N#CCC1(CN2CCC3(CCCCC3)CC2)CC1 88259487 OWKNOWIPMYEXNW-UHFFFAOYSA-N 246.398 3.727 30 20 BHED C[C@@H](/N=C\c1ccccc1O)C1CCCCC1 100200994 GREZNKALTFQFLK-COOUDCDJSA-N 231.339 3.780 30 20 BHED CC(C)(C)[C@H]1CCN(c2ccc(F)cc2C#N)C1 128453725 NIJFSEUSIBMMDC-LBPRGKRZSA-N 246.329 3.570 30 20 BHED CCc1ccc2[nH]c(-c3ccc(C#N)cc3)nc2c1 128992340 UGQFIZJZFVLDHM-UHFFFAOYSA-N 247.301 3.664 30 20 BHED C#CCCCCN[C@@H](CC)c1ccccc1 130692028 DTPPERNBTFSXCY-HNNXBMFYSA-N 215.340 3.531 30 20 BHED C=CC[C@H](C)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 161648586 ZSKCSRMFQPISNU-BYNSBNAKSA-N 221.388 3.900 30 20 BHED C=C(CN[C@H]1CCC(C)(C)C1)c1ccccc1 168435427 XRWSVPYGTNNUDP-HNNXBMFYSA-N 229.367 3.868 30 20 BHED CCCCCCCC(=O)N[C@H](CC)CSC 181163906 SPZSFYJITFXOMQ-GFCCVEGCSA-N 245.432 3.605 30 20 BHED C=CCCOc1ccc(F)cc1OC(C)C 190271910 RPWMXVLYYWQQKK-UHFFFAOYSA-N 224.275 3.568 30 20 BHED C[C@@H](SCCCC#N)c1nc2ccccc2o1 191004301 BWFHEBUVBIZCLS-SNVBAGLBSA-N 246.335 3.926 30 20 BHED CCS[C@@H]1CCC[C@@H]1Nc1ccc(C#N)cc1 224437789 MJZQQDUGVUAGRZ-UONOGXRCSA-N 246.379 3.644 30 20 BHED CC(C)C[C@@H](C)Nc1cc(F)cc(C#N)c1 227607690 XGWMXNSBVQMAJO-SNVBAGLBSA-N 220.291 3.544 30 20 BHED N#Cc1cc(F)cc(NC[C@H]2C[C@H]3CC[C@H]2C3)c1 299933843 SSSSXBZAYMGUOC-WCFLWFBJSA-N 244.313 3.545 30 20 BHED C=CCCCC[C@@H](C)N[C@H](C)CC1CC1 309026025 ZYKWJHKEYZAFRY-CHWSQXEVSA-N 209.377 3.900 30 20 BHED C=CC[C@H](C)N[C@H]1CCCc2cc(F)ccc21 340532320 LGQOEPATSLYKES-NHYWBVRUSA-N 233.330 3.757 30 20 BHED N#Cc1ccccc1CSCCCCCF 340618340 BHWZNPLAROZDKY-UHFFFAOYSA-N 237.343 3.931 30 20 BHED N#Cc1cnccc1/C=C/c1sccc1Cl 349114508 UQSIBBFAGKXQGE-OWOJBTEDSA-N 246.722 3.839 30 20 BHED CCC(CC)(CC)CNc1ccc(C#N)nc1 351550224 JASZXDQJQMGVPT-UHFFFAOYSA-N 231.343 3.582 30 20 BHED C=C(C)CCN(C)[C@@H]1CC[C@H](SCC)C1 352043594 GCOUMUILBHJENF-OLZOCXBDSA-N 227.417 3.559 30 20 BHED C=CC[C@H](CC)NCc1cccc(OCCC)c1 393797006 KGJYZDNLTLCSDP-HNNXBMFYSA-N 247.382 3.920 30 20 BHED C=C(C)C(C)(C)C(=O)N1CC[C@@H](C2CCCC2)C1 424895088 RKIXVMWVARYGBP-CQSZACIVSA-N 249.398 3.627 30 20 BHED C=C[C@@H]1CCCCN1C[C@H]1C[C@H]1c1ccccc1 426542349 DXMOQVAEXUQWGD-ZACQAIPSSA-N 241.378 3.831 30 20 BHED C=CCN(C)Cc1ccc(-c2ccccc2F)o1 428386993 JTWODSRPBGTVRK-UHFFFAOYSA-N 245.297 3.704 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)[C@H](OC)C1CC1 449635085 XGKCYSPNIUIZNW-GUTXKFCHSA-N 239.403 3.524 30 20 BHED CC[C@]1(C)CCN([C@H](C)c2ccc(C#N)cc2)C1 468138306 MHZJAXJMRPTYLV-CZUORRHYSA-N 242.366 3.741 30 20 BHED CC(C)CC1(C)CCN([C@H]2CC[C@H](C#N)C2)CC1 549717885 JPEGWPOYVKPQSX-GJZGRUSLSA-N 248.414 3.827 30 20 BHED N#CCC1CCN(CCC2CCCCCC2)CC1 565355580 JSZYXUKZEFNWAO-UHFFFAOYSA-N 248.414 3.973 30 20 BHED CCC(C)(C)[C@H](C)NCCc1cccc(C#N)c1 582647945 PCSNNRVAWZSLJN-ZDUSSCGKSA-N 244.382 3.515 30 20 BHED C=CC[C@@H]1CCCN(C(=O)CC[C@H](C)CC)C1 617778205 ADSTXPAKVHBRGW-ZIAGYGMSSA-N 237.387 3.627 30 20 BHED C=CCC1(C(=O)NC[C@H](C)C2CC2)CCCCC1 648190050 RQLICRZANKAKAZ-ZDUSSCGKSA-N 249.398 3.675 30 20 BHED C=C(C)CCc1noc(/C(C)=C\c2ccco2)n1 656018189 QPKGHCLPVOXMCY-LUAWRHEFSA-N 244.294 3.732 30 20 BHED C=CCC(C)(C)CNC1CCC(OCC)CC1 658024241 WMAMMCKRCOYDBA-UHFFFAOYSA-N 239.403 3.526 30 20 BHED CCCC[C@H](C)N(C)CC#Cc1ccc(F)cc1 685612226 XTWQWCZGWATXLE-AWEZNQCLSA-N 247.357 3.688 30 20 BHED Cc1cc(C)cc(NN=Cc2occc2C)c1 743430990 OVDQHSNRLCCKCP-UHFFFAOYSA-N 228.295 3.651 30 20 BHED COc1ccc(NN=CC2CCCCC2)cc1 750921140 FNXIVMANKQCIMG-UHFFFAOYSA-N 232.327 3.673 30 20 BHED C=C(Cl)CN1CCCSc2ccccc21 763734007 JGHOKUBZCXBYAJ-UHFFFAOYSA-N 239.771 3.741 30 20 BHED C#CC[C@H](N[C@@H](C)CCC1CC1)c1ccccc1 769415165 WBGBGZBMCIHUDC-YOEHRIQHSA-N 241.378 3.919 30 20 BHED C#CCCSC[C@@H](C)c1ccccc1 778049775 IFVMYTMYFHADKD-GFCCVEGCSA-N 204.338 3.547 30 20 BHED C=CCCCCC[C@@H](C)NCCc1cccnc1 793525500 OQCQSJBOYFRGLY-OAHLLOKOSA-N 246.398 3.739 30 20 BHED CC[C@H](C)CON=Cc1ncc(C(C)C)s1 814939743 YWHPWJJWAZUKCE-JTQLQIEISA-N 240.372 3.663 30 20 BHED C=C(Cl)CSCc1nc2ccccc2[nH]1 913396233 SRBOHLSNSVMLFZ-UHFFFAOYSA-N 238.743 3.549 30 20 BHED N#C[C@@H]1CCCC(=NNc2ccccc2Cl)C1 1117702220 QDEXZUYKMBOARF-SNVBAGLBSA-N 247.729 3.822 30 20 BHED CC[C@@H](C)NN=C(C)c1ccccc1SC 1321217237 CMLPEQSEMQEIBD-SNVBAGLBSA-N 236.384 3.521 30 20 BHED CN(Cc1ccccc1C#N)C1CCCCCC1 35175662 LJHISJPSQJYNMT-UHFFFAOYSA-N 242.366 3.713 30 20 BHED CC[C@@H](Nc1ccnc(C#N)c1)c1ccccc1 61812208 AKIGXWFZTRCMIW-OAHLLOKOSA-N 237.306 3.516 30 20 BHED CCc1cccc(NCc2cc(C#N)cs2)c1 93492461 MPBDHPUTQBIPTR-UHFFFAOYSA-N 242.347 3.794 30 20 BHED C=CCCCN(C)[C@H](C)c1ccccc1 117871154 IRBUWHPUDMLXTF-CYBMUJFWSA-N 203.329 3.646 30 20 BHED C=C(C)CN(CC)C(=O)[C@@H](C)c1cccc(C)c1 132667662 VTKRLGQBHPWPOA-AWEZNQCLSA-N 245.366 3.523 30 20 BHED C=CCCCC(=O)NCC(CC)(CC)CC 177062332 KTPMBAGNAKRXSN-UHFFFAOYSA-N 225.376 3.675 30 20 BHED CC#CCCCC(=O)N(C1CC1)[C@@H](C)[C@@H](C)CC 185700334 NSZMDJCJEPKPIA-KBPBESRZSA-N 249.398 3.606 30 20 BHED C#CCCCC(=O)NC[C@H](CCC)CCCC 192149547 IPQUEFXAJOPTJW-CQSZACIVSA-N 237.387 3.513 30 20 BHED CC(C)[C@H](C)SCc1cccc(C#N)c1 231192743 MYSNBTRIUFSFOU-NSHDSACASA-N 219.353 3.836 30 20 BHED C=CCN1CCCCC[C@H]1c1ccc(C)o1 303758890 NVHKJZZGLZAQSE-ZDUSSCGKSA-N 219.328 3.691 30 20 BHED N#C[C@@H]1CCC[C@@H](NC(C2CCC2)C2CCC2)C1 353975778 VXEQWQIUEVEZNR-IUODEOHRSA-N 246.398 3.627 30 20 BHED C=CCCCCN[C@H]1CCC[C@H]1CCCF 381622021 CVTGBRYCDHMXIB-KBPBESRZSA-N 227.367 3.851 30 20 BHED C[C@@H](CN1CCC[C@H](CC#N)C1)C1CCCCC1 397697618 ZNMANZWDUBTISB-LSDHHAIUSA-N 248.414 3.828 30 20 BHED C=CC[C@H](C)[C@@H](C)NC[C@H](C)CC(F)(F)F 414259861 FYKXVGBADUWZAM-OUAUKWLOSA-N 237.309 3.765 30 20 BHED CC(C)=CCC[C@H](C)Nc1ncccc1C#N 450670907 DRDRSYMLWFQHLY-LBPRGKRZSA-N 229.327 3.500 30 20 BHED N#Cc1ccc(CSC2CCC2)c(Cl)c1 450983776 AMENCUANNPEULU-UHFFFAOYSA-N 237.755 3.997 30 20 BHED C=CCN(CC=C)Cc1ccc([C@@H]2C[C@H]2C)o1 505847714 FDMWIOKVHIHRFI-TZMCWYRMSA-N 231.339 3.577 30 20 BHED C=C(C)CSC[C@H](OC)c1ccccc1 519587778 GTBLBIYBTUFFKO-ZDUSSCGKSA-N 222.353 3.683 30 20 BHED C=CCN(C(=O)c1ccc(C(C)C)s1)C1CC1 546184798 SAEMHLSDPWTBNK-UHFFFAOYSA-N 249.379 3.662 30 20 BHED C=CCC(C)(C)c1noc(CSC(C)C)n1 551491043 ZTICKAQMCFUDDI-UHFFFAOYSA-N 240.372 3.565 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CC2(CCC2)[C@H]1C(C)C 553071072 JHQFZMWIFVADHE-HIFRSBDPSA-N 249.398 3.626 30 20 BHED Cc1ccccc1C1(NC[C@H](C)CCC#N)CC1 602698599 DJOJKFHVJUZAKM-CYBMUJFWSA-N 242.366 3.514 30 20 BHED C[C@H](CC(C)(C)C#N)NCCC(C)(C)C1CC1 695812448 NQNDAHOQPGWUGQ-GFCCVEGCSA-N 236.403 3.731 30 20 BHED CCCCCCCN[C@H](C)c1cncc(F)c1 703743664 HNYRDRFGWQVJOM-GFCCVEGCSA-N 238.350 3.842 30 20 BHED CC(CCC1CCCCC1)=NNc1cccnn1 735973718 RMYQPPQKYCWJCA-UHFFFAOYSA-N 246.358 3.625 30 20 BHED C=C(C)CCOC(=O)[C@@H](C)c1cccc(C)c1 744303034 LNDPRWYUJVVWAV-ZDUSSCGKSA-N 232.323 3.608 30 20 BHED COc1cccc(NN=C(C)c2ccsc2)c1 749099238 MDRMEFRUADBIOA-UHFFFAOYSA-N 246.335 3.593 30 20 BHED C#Cc1ccccc1C(C)=NNc1ccccc1 753692351 SYNDNHMERTWYAF-UHFFFAOYSA-N 234.302 3.504 30 20 BHED CC(C)CON=C[C@H](C)c1ccc(F)cc1 756895111 HYDUSVDZTLVQBI-NSHDSACASA-N 223.291 3.588 30 20 BHED CCCC[C@@H]1CCCC1=NOCC(F)(F)F 764836464 UDWPTNGXAGPVQL-SECBINFHSA-N 237.265 3.912 30 20 BHED Cc1ccc2c(c1)CCC2=NOC1CCCC1 774607296 FBWHKCIXDRYDGV-UHFFFAOYSA-N 229.323 3.605 30 20 BHED CC(=NOC1CCCC1)c1cccc(F)c1F 776260910 BZWYPHKUNZDCHS-UHFFFAOYSA-N 239.265 3.648 30 20 BHED CC1(C)CCC1=NNc1cccc2cnccc12 789003681 GJGDPWSJGQBVIH-UHFFFAOYSA-N 239.322 3.823 30 20 BHED CC1=CCC[C@H](C)[C@@H]1C=NNc1ncccc1F 794990928 SNDKVOGCMBWDNQ-NWDGAFQWSA-N 247.317 3.611 30 20 BHED CCCC[C@H](CC)COC(=O)[C@](C)(C#N)CC 796837050 MNKCLEWXOBGAHE-JSGCOSHPSA-N 239.359 3.686 30 20 BHED C=C(Cl)CN[C@H](C)c1nccc2ccccc12 810226033 SRVVYMVQRVBBRJ-LLVKDONJSA-N 246.741 3.638 30 20 BHED FC(F)(F)C1CCC(=NOCCC2CC2)CC1 814245809 IYCVPVCBNDSLTN-UHFFFAOYSA-N 249.276 3.912 30 20 BHED C(=NOCCC1CC1)C1CCCCCC1 814247104 RGVFVSARLHPPHJ-UHFFFAOYSA-N 209.333 3.759 30 20 BHED CCC(CC)NN=Cc1ccc(SC)s1 814851004 DPTWHQQZSROUAF-UHFFFAOYSA-N 242.413 3.582 30 20 BHED C[C@@H]1CCC(=NNc2ccc(C#N)c(Cl)c2)C1 814901300 HQNZNVPFLPULRZ-SECBINFHSA-N 247.729 3.800 30 20 BHED CCCC(=NNC1CCCCC1)c1cccnc1 814910402 VQBKAVLMKQVEON-UHFFFAOYSA-N 245.370 3.508 30 20 BHED C=CCCC(CCC)=NN[C@H](C)c1ccncc1 819817581 BIWNCCAJFZWDTP-CYBMUJFWSA-N 245.370 3.855 30 20 BHED CC(C)(CCC#N)COC(=O)[C@@]1(C)CC=CCC1 835385442 AFPSWWVFVGKFBL-HNNXBMFYSA-N 249.354 3.606 30 20 BHED CCCC[C@@H](C(=O)O[C@H](CC)CC#N)C(C)C 857022331 MCKONVNVXWBJAS-CHWSQXEVSA-N 239.359 3.684 30 20 BHED CCCCCCCCCC(=O)NCC1CC1 889441959 DUNBTFHUWMEJTH-UHFFFAOYSA-N 225.376 3.653 30 20 BHED Fc1ccccc1NN=C/C=C\c1ccco1 920371843 OFHKUSXYRJZYKP-JPYZBZMJSA-N 230.242 3.530 30 20 BHED C[C@@H]1CCN(CCCCC2(C#N)CCC2)[C@@H]1C 929785110 MJSGHLLAHFEDAR-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED C=CCC[C@@H](NC/C=C\C1CC1)c1ccco1 1326287485 VKVIKRAIQYEJFK-KXQLTZBTSA-N 231.339 3.843 30 20 BHED CC[C@@H](C)CCC(=O)O[C@H](CC#N)c1ccco1 1347949152 RJSNUZUFHRVMQY-DGCLKSJQSA-N 249.310 3.604 30 20 BHED CCC(C=NNc1ccc(C)c(C(=O)O)c1)CC 1595030538 RLYYTYZZROVWKS-UHFFFAOYSA-N 248.326 3.527 30 20 BHED CC(C)CSc1ccc(Cl)cc1C#N 52859941 XQXBUEXYDVXTRC-UHFFFAOYSA-N 225.744 3.960 30 20 BHED CC[C@H](C)C[C@@H](C)Nc1ccc(C#N)cc1 83865171 GEQGJXSJCKKFHZ-NWDGAFQWSA-N 216.328 3.795 30 20 BHED C#CCCCN[C@@H](c1cccs1)C1CCCC1 179436569 XAHWRPOVTQLINE-OAHLLOKOSA-N 247.407 3.982 30 20 BHED Cc1cc(F)cc(N[C@H]2CCC[C@H](C#N)C2)c1 185737378 XLFUHHXGJLIUEJ-AAEUAGOBSA-N 232.302 3.628 30 20 BHED C=CCC1(C(=O)NCC(C)(C)C(C)C)CCC1 190764696 YZAGKZFIZBSGDG-UHFFFAOYSA-N 237.387 3.531 30 20 BHED N#Cc1ccc(Cl)cc1O[C@@H]1C=CCCC1 228353288 DAMRAFOISUKLLW-GFCCVEGCSA-N 233.698 3.699 30 20 BHED C[C@H]1OCC[C@H]1SCCCCC(C)(C)C#N 235641371 RXEVSPATGUVMLD-VXGBXAGGSA-N 241.400 3.617 30 20 BHED N#Cc1ccc(/C=C\c2ccc(Cl)cc2)nc1 255488208 ZLOWTDAZSYNXCK-CLTKARDFSA-N 240.693 3.777 30 20 BHED Cc1cc(C)c(CN(C)CC(C)(C)C#N)c(C)c1 258930104 OSOHVVYNZHQUQP-UHFFFAOYSA-N 244.382 3.593 30 20 BHED C=C(CC)CN[C@@H](c1cccs1)C1CC1 309117387 MDAUMOATQHJCRI-CYBMUJFWSA-N 221.369 3.755 30 20 BHED C=C(C)CN[C@@H](c1ccccc1)C(C)(C)C 309687577 OPQNEXLJDLBLFL-AWEZNQCLSA-N 217.356 3.940 30 20 BHED C#Cc1cccc(N[C@@H](CC)CCC=C)c1 310035667 UBGYKXYLADDKDY-AWEZNQCLSA-N 213.324 3.825 30 20 BHED C=CCN[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 310365163 LVBXKUIZBODJDY-FVQBIDKESA-N 229.367 3.734 30 20 BHED C[C@H](C#N)SC1CCC(C(F)(F)F)CC1 336270014 CGVDGMGMCWXRAZ-AFPNSQJFSA-N 237.290 3.753 30 20 BHED C=CCC(CC=C)C(=O)N(C(C)C)C1CCC1 343684276 RSEVZPMOCMCEKN-UHFFFAOYSA-N 235.371 3.544 30 20 BHED CCC[C@H](CC)[S@](=O)CCCC(C)(C)C#N 359446196 YRXBRUKPZIWGPE-BLLLJJGKSA-N 243.416 3.644 30 20 BHED CCCCC[C@H]1CCCN1CCCCC#N 362959949 HGYCHRIMAWCOFN-AWEZNQCLSA-N 222.376 3.725 30 20 BHED C#CCCCNC(C)(C)c1ccc(Cl)cc1 381116267 HGWKBSIHCLEJCY-UHFFFAOYSA-N 235.758 3.578 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1cccc(F)c1F 393798579 LBQCBYJTPPZYRK-WDEREUQCSA-N 239.309 3.970 30 20 BHED C=CC[C@H](CC)Nc1ncnc2cccc(C)c12 440644500 UTSBDBBDPWJCEF-LBPRGKRZSA-N 241.338 3.705 30 20 BHED N#Cc1cccc(S[C@@H]2C=CCCC2)c1 468652113 GFNSLDXEPFHIER-GFCCVEGCSA-N 215.321 3.759 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@H]1CCC[C@@H](C)C1 489711834 GQDKZCXXCIXXAG-CHWSQXEVSA-N 237.387 3.531 30 20 BHED C=C(C)CCN1CCC[C@@H]2CCCC[C@@H]21 509023845 YTXJDHWMBPGRDJ-KBPBESRZSA-N 207.361 3.607 30 20 BHED CC(C)(C#N)CCN[C@@H](c1cccs1)C1CC1 542512495 PXIBXOMXEARBGO-CYBMUJFWSA-N 248.395 3.729 30 20 BHED C=CCCCC[C@@H](C)NCc1cccc(O)c1 552599569 IBJBVVCXFPJIDI-CYBMUJFWSA-N 233.355 3.617 30 20 BHED CCCN(CC#N)CCC1CCCCCC1 561947630 YWUFNBIQEXNWHR-UHFFFAOYSA-N 222.376 3.582 30 20 BHED CC(C)[C@H](C(=O)CC#N)c1ccc(Cl)cc1 585163890 NVYHUNAIGWMKPO-ZDUSSCGKSA-N 235.714 3.562 30 20 BHED C=CCN(C[C@H](CC)CC(F)F)C(C)(C)C 661757348 GDZIAGCXIQAGIK-LLVKDONJSA-N 233.346 3.954 30 20 BHED C#Cc1cccc(NC[C@H](CC)CC(F)F)c1 688709811 MMVNHUNBPSTIHU-GFCCVEGCSA-N 237.293 3.761 30 20 BHED Cc1nc(N[C@@]2(C)CC2(C)C)c(Cl)cc1C#N 702371294 OITCJRVIBMGTNP-ZDUSSCGKSA-N 249.745 3.516 30 20 BHED Cc1ccccc1N[C@@H](C)CC(C)(C)C#N 709991160 QEVPFLWKCUEUNE-LBPRGKRZSA-N 216.328 3.735 30 20 BHED CC(CCCC(C)C)=NNc1ccc(F)cn1 764687346 RIXYHYOVKNTZNA-UHFFFAOYSA-N 237.322 3.835 30 20 BHED CCC(CC)CNN=C1CCC(C)CC1 774476578 HCIIJCHCFXIJQT-UHFFFAOYSA-N 210.365 3.578 30 20 BHED C=CCN(C)Cc1cc(C)cc(C(C)(C)C)c1O 777548473 SUHBDWGDAVMHSO-UHFFFAOYSA-N 247.382 3.616 30 20 BHED CC(C)(C)CCNN=C/C=C/c1ccccc1 782903494 WHQVHUJYIFGTNQ-JPSPZVDZSA-N 230.355 3.711 30 20 BHED C=CCCCCCOC(=O)c1ccoc1Cl 784986359 ADGPMBOZYANQBL-UHFFFAOYSA-N 242.702 3.836 30 20 BHED C=CCCC(CC)=NNC1CCCCC1 786042203 MVWHPLLDHYEASI-UHFFFAOYSA-N 208.349 3.641 30 20 BHED CC[C@@H](C)NN=C(C)C[C@@H](C)CC(C)C 790181556 FFEBCSXZRDGIAG-NWDGAFQWSA-N 212.381 3.823 30 20 BHED CC(=NOCC1CC1)c1ccc(F)cc1Cl 814241005 BCYKSYZXRXPQIJ-UHFFFAOYSA-N 241.693 3.630 30 20 BHED Cc1cc(C)c(NN=C2CCS[C@H]2C)c(C)c1 814861014 XGXLSYCAXDAHBT-LBPRGKRZSA-N 248.395 3.905 30 20 BHED C[C@@H](NN=C1CCC[C@@H]1C(C)(C)C#N)C(C)(C)C 814937444 GNVAPUQONOBQJC-NEPJUHHUSA-N 249.402 3.716 30 20 BHED C=CCCCCC(C)=NNc1ncccc1F 834976879 BODMKBYNWHCAJX-UHFFFAOYSA-N 235.306 3.755 30 20 BHED C=CCON=C1CC[C@H](c2ccccc2)C1 835015105 PGKKAMZNBNLTSC-ZDUSSCGKSA-N 215.296 3.513 30 20 BHED CC(C)=CCC[C@H](C)CC(=O)OC(C)(C)C#N 842734338 DPEFUUUZYCRIBG-LBPRGKRZSA-N 237.343 3.604 30 20 BHED C(CSCc1ccccc1)=NOCC1CCC1 853440349 AHBORZUUWODTEM-UHFFFAOYSA-N 249.379 3.722 30 20 BHED C=CC(C)(C)CC(=O)N1CCC[C@@H]1C(C)(C)C 888816513 BEWWUGSKEXCULI-GFCCVEGCSA-N 237.387 3.626 30 20 BHED CCCCC(C)=NNc1nc2ccccc2[nH]1 915915674 WPPRYADFCNSLAC-UHFFFAOYSA-N 230.315 3.541 30 20 BHED C=C(CC(C)C)C(=O)Nc1ccccc1C 1123473588 RVCNEZONIOTAGZ-UHFFFAOYSA-N 217.312 3.536 30 20 BHED CCC[C@H](C)[C@H]1CCCN1CC1(CC#N)CC1 1559647496 IYOPLYKAZJNDPU-UONOGXRCSA-N 234.387 3.581 30 20 BHED Cc1ccc(CSc2ccc(C#N)cc2)cn1 1651772151 RZDCTOMOMMJENR-UHFFFAOYSA-N 240.331 3.554 30 20 BHED N#Cc1cccc(NCc2cc3ccccc3o2)c1 20090105 PEUFULHZRHQSNS-UHFFFAOYSA-N 248.285 3.917 30 20 BHED C=C(C)COC(=O)Cc1cccc2ccccc12 57982994 ADKCFELFAJVWON-UHFFFAOYSA-N 240.302 3.502 30 20 BHED C=C(C)CN(CC)Cc1cc(C)ccc1C 61758710 IORPIFVUAIQJAY-UHFFFAOYSA-N 217.356 3.701 30 20 BHED C=CCN(CC=C(C)C)CCc1ccccc1 65959637 NZCDDPISNVSUTD-UHFFFAOYSA-N 229.367 3.683 30 20 BHED CCCCCCCCCS[C@H](C)C(=O)O 78962097 WWVAPMNXRAZUMV-LLVKDONJSA-N 232.389 3.943 30 20 BHED N#Cc1csc(CNc2cccc(Cl)c2)c1 86573554 RCOXMVOEROSEGW-UHFFFAOYSA-N 248.738 3.885 30 20 BHED C=C(Cl)CN[C@H](C)c1ccc(C)c(C)c1 161742780 WHYWNVBIZJXIQT-GFCCVEGCSA-N 223.747 3.707 30 20 BHED Cc1cc(C#N)ccc1CN1[C@H](C)CCC[C@H]1C 165434659 FCDVVTIOVXHACH-ZIAGYGMSSA-N 242.366 3.630 30 20 BHED C=C[C@](C)(CC)C(=O)Oc1ccc(C)cc1OC 191802121 OGTXKYUJTYRVHS-OAHLLOKOSA-N 248.322 3.511 30 20 BHED CCN(CC[C@H](C)c1ccccc1)C[C@@H](C)C#N 193761096 XSJCPTWWHKHDCE-GJZGRUSLSA-N 244.382 3.662 30 20 BHED C=CC[C@H](C)NC[C@H](c1ccccc1)C(C)C 232715420 QJTKMLMOMWPKHF-HOCLYGCPSA-N 231.383 3.980 30 20 BHED CC[C@@H](NCC=C(C)C)c1ccc(C#N)cc1 278611040 FRAZYHDHEAUHCB-OAHLLOKOSA-N 228.339 3.565 30 20 BHED CCCC[C@@H](C)Nc1cc(C)cc(C#N)c1 308101871 IBKLDOFXLCHZHL-GFCCVEGCSA-N 216.328 3.857 30 20 BHED C=C(C)CN[C@H](c1ccccc1C)C(C)C 309363922 PDLMJJISDGBJOI-HNNXBMFYSA-N 217.356 3.858 30 20 BHED C=CCC1(c2nc(CCC(=C)C)no2)CCC1 347267181 PSBFFPLMGJACNG-UHFFFAOYSA-N 232.327 3.576 30 20 BHED C=CC[C@H](CC)NC[C@H](C)c1ccccc1 381311406 LPQGGNNOWWUOEZ-ZFWWWQNUSA-N 217.356 3.734 30 20 BHED C=CCCC[C@@H](C)N[C@@H]1CCCc2occc21 398138160 YLHZBXLRRMIELO-TZMCWYRMSA-N 233.355 3.991 30 20 BHED Cc1ccc([C@@H](C)N(C)CC2(C#N)CCC2)cc1 450259821 ACXIQDNQQGJODM-CQSZACIVSA-N 242.366 3.682 30 20 BHED C=C(C)CN1[C@@H](C)C[C@@H](CC(F)(F)F)[C@H]1C 451147217 OFQAFRIOITYANH-AXFHLTTASA-N 235.293 3.614 30 20 BHED C=CCCCCNC(=O)[C@H]1CC[C@H](CC)CC1 474193850 VLKXWZGQYJUPKC-HDJSIYSDSA-N 237.387 3.675 30 20 BHED CC1=C(C)CN(c2c(Cl)cccc2C#N)CC1 481091204 NNZIRRTWFFXPHL-UHFFFAOYSA-N 246.741 3.758 30 20 BHED C=CCCCN(C)Cc1ccccc1SC 511098783 AZTXEPZXZGYSEA-UHFFFAOYSA-N 235.396 3.807 30 20 BHED C=CCSCCOc1c(C)cccc1C 522282734 GBYCEDAVWRSJKL-UHFFFAOYSA-N 222.353 3.601 30 20 BHED C=C(CC)CN1CC[C@@H](Cc2ccccc2)C1 538002794 OZKRZOZSUGTLRR-INIZCTEOSA-N 229.367 3.517 30 20 BHED CSCCCS[C@H](C#N)c1ccccc1 574771410 VVTIZMKKGXERTR-GFCCVEGCSA-N 237.393 3.738 30 20 BHED C=CCN(Cc1ccccc1)[C@@H](C)CCC 579628955 KTHRSUFUYHFSPD-AWEZNQCLSA-N 217.356 3.863 30 20 BHED N#Cc1ccc(SCC2CC=CC2)cc1 594885998 KZGOINZNPDAMNK-UHFFFAOYSA-N 215.321 3.617 30 20 BHED C=CCCSCCNC[C@@H](C)c1ccccc1 597183662 CGQYKLHGMUBTPF-CQSZACIVSA-N 249.423 3.689 30 20 BHED CC[C@H](C)n1cc(-c2ccc(F)cc2C#N)cn1 600790068 URAFCXWXMFQTPX-JTQLQIEISA-N 243.285 3.532 30 20 BHED C=CC1CCN(C[C@@H](C)c2ccccc2)CC1 604885259 UEGPTOIPIVHDQG-CQSZACIVSA-N 229.367 3.688 30 20 BHED C=CCC1(NCCC(F)(F)F)CCCCC1 625934256 HBKUQKRXQXAGMM-UHFFFAOYSA-N 235.293 3.807 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1cnc(C)s1 631706581 IJTWCLBIRZAUEO-HBNTYKKESA-N 238.400 3.703 30 20 BHED C(=NNC1CCCC1)c1ccc2ccccc2c1 727652596 SXPNHOFNZQPTPH-UHFFFAOYSA-N 238.334 3.706 30 20 BHED CCCCCCCCN1CCC(OCC)CC1 740875406 YRYRFKQRRFQYHQ-UHFFFAOYSA-N 241.419 3.848 30 20 BHED CC(C)C(=NOCc1ccccc1)C1CC1 750932343 HXNNUDDLRMUUMG-UHFFFAOYSA-N 217.312 3.625 30 20 BHED CCCCCCCC(=O)NCC(C)(C)CC 759358835 DVAWKIXUPWPEEQ-UHFFFAOYSA-N 227.392 3.899 30 20 BHED C=CC[C@H](C(=O)O[C@@H](C)CC)c1ccccc1 778429538 OWZOHUZRKKKSBD-JSGCOSHPSA-N 232.323 3.688 30 20 BHED CCc1ccc(OC(=O)CCCCCC#N)cc1 805848250 KVRYWSYPSGDGND-UHFFFAOYSA-N 245.322 3.628 30 20 BHED c1ccc(CON=C2CC[C@H]2C2CCC2)cc1 814791727 LJKUNPPYXXXNMH-AWEZNQCLSA-N 229.323 3.769 30 20 BHED C=CCCCCC(C)=NNc1ccc(F)cn1 834957638 ZFUXAXIZIIUNKX-UHFFFAOYSA-N 235.306 3.755 30 20 BHED CCC(=NOCCC(F)(F)F)[C@H]1CC1(C)C 841634930 YGUSUCABOSTKED-MRVPVSSYSA-N 237.265 3.768 30 20 BHED C=CCC(C)(C)C(=O)OCC(C)(C)CSC 851170334 SESMKKUZFBWTKU-UHFFFAOYSA-N 244.400 3.521 30 20 BHED CC1(C)C(=NOC/C=C\Cl)[C@H]2CCC[C@H]21 853347426 KIYFVJWOUDKTPV-XQXZBRARSA-N 227.735 3.568 30 20 BHED C=CC(C)(C)CC(=O)N(CC)Cc1ccccc1 877963102 GPAMQZJMIRBXGI-UHFFFAOYSA-N 245.366 3.637 30 20 BHED Cc1ccc2sc(S[C@@H](C)C#N)nc2c1 919623648 XWOBSFPVWGSGBE-QMMMGPOBSA-N 234.349 3.609 30 20 BHED C=C[C@H](CC)CC(=O)Nc1c(C)cccc1C 933788366 YXCGBDSKUVXYTP-CYBMUJFWSA-N 231.339 3.844 30 20 BHED C=CCCCCCN(C)[C@@H]1CC[C@H](SC)C1 1321326610 NGVJAIAPIZQYMJ-KGLIPLIRSA-N 241.444 3.949 30 20 BHED Cc1ccc(C(=O)/C=C\c2ccc(F)cc2)o1 33387634 TWJRBPVFXFCRNI-YVMONPNESA-N 230.238 3.623 30 20 BHED C=C(C)CN(CC)[C@H](C)c1ccc(F)cc1 52890538 BWUSNGPOGZBBQQ-GFCCVEGCSA-N 221.319 3.785 30 20 BHED C[C@@H]1CCC[C@@H](CNc2cccc(C#N)c2)C1 89604333 RRNKWRCAAVMISI-TZMCWYRMSA-N 228.339 3.796 30 20 BHED Cc1nsc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1C#N 92912581 QATKHBQVYFGDMV-FXPVBKGRSA-N 249.383 3.560 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cc(Cl)ccc1OC 122985335 VSHPSCVJEXHYRU-ZJUUUORDSA-N 239.746 3.574 30 20 BHED C[C@H](S)c1cc(Br)ccc1F 132151135 FQJWPXRKRYIORQ-YFKPBYRVSA-N 235.121 3.579 30 20 BHED CC[C@@H]1CCCC[C@H]1NCc1ccc(C#N)s1 135676341 JDMOIBVHBYTFLH-BXUZGUMPSA-N 248.395 3.678 30 20 BHED CC(C)N(CC#Cc1cccc(Cl)c1)C1CC1 156144404 JUJUOTQBGFXCFM-UHFFFAOYSA-N 247.769 3.564 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCCc2ccc(OC)cc21 163341508 LSENGBZAMLPSEB-MLGOLLRUSA-N 245.366 3.627 30 20 BHED C=CCCN[C@@H](C)c1nc(C(C)(C)C)cs1 184484722 HHLZWWOJTIPFEH-JTQLQIEISA-N 238.400 3.667 30 20 BHED O=C(/C=C/c1ccc(Cl)s1)c1ccncc1 192924476 LVKWHBMAEJSYRX-HNQUOIGGSA-N 249.722 3.693 30 20 BHED O=C(/C=C\c1ccsc1)c1ccc(F)cc1 206088897 GETUXXXEWNXZMB-BHQIHCQQSA-N 232.279 3.783 30 20 BHED C=CCC[C@@H](Nc1cnccn1)c1ccccc1 301801767 WHIYKPIJLGFRFE-CQSZACIVSA-N 239.322 3.596 30 20 BHED C=C(Cl)CSc1cccc(F)c1 306480266 FSVJIUZFTSNLEO-UHFFFAOYSA-N 202.681 3.670 30 20 BHED CC(C)[C@H](C)Sc1nc(Cl)c(C#N)s1 307516730 WDAWSMWSTRLCAN-LURJTMIESA-N 246.788 3.805 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)CC1CC1 309026027 ZYKWJHKEYZAFRY-QWHCGFSZSA-N 209.377 3.900 30 20 BHED C=C(CC)CN(C)[C@H]1CC[C@@H](SCC)C1 358498760 MWGAHHXBAJSSOZ-QWHCGFSZSA-N 227.417 3.559 30 20 BHED CCN(CCCCC(C)(C)C#N)C(C)(C)C 382143370 QJGYWZQBBYPSCV-UHFFFAOYSA-N 224.392 3.827 30 20 BHED C=C(C)CCN[C@@H](C)c1ccccc1OCC 386759718 IEGTWDNQITVOSZ-ZDUSSCGKSA-N 233.355 3.702 30 20 BHED C=CCCCC[C@H](C)N[C@H]1CS[C@H](C)C1 414219756 BNYQQOAOQMPXED-YNEHKIRRSA-N 227.417 3.605 30 20 BHED C=CCN(CCC#N)Cc1cc(C)c(C)cc1C 430105413 LCNLLTWYBIZFAD-UHFFFAOYSA-N 242.366 3.514 30 20 BHED C=CCCCN[C@H]1CCC[C@@H]1c1ccccc1 446003586 QEKVSMRLEORAQE-CVEARBPZSA-N 229.367 3.879 30 20 BHED C=CCSc1ccccc1C(=O)OC(C)C 486612038 OAQICUYGAGBEDB-UHFFFAOYSA-N 236.336 3.530 30 20 BHED C[C@@H]1CCN(CC2(C#N)CCC2)[C@H]2CCCC[C@@H]21 515771666 HVXSZJKSNNZSIK-KFWWJZLASA-N 246.398 3.581 30 20 BHED CC(C)(C#N)CCCCN1CC[C@H](CC2CC2)C1 559410700 UCAINXITFMVPAB-OAHLLOKOSA-N 248.414 3.828 30 20 BHED C=C(C)CSCc1cccnc1C(F)(F)F 600627536 APRVMUNTCWJEBQ-UHFFFAOYSA-N 247.285 3.910 30 20 BHED Cc1cc(Nc2cccc(C#N)n2)ccc1C1CC1 613896395 KLJMWPPWEJYARV-UHFFFAOYSA-N 249.317 3.883 30 20 BHED C=CCCCC[C@H](C)NC[C@H](C)c1ccncc1 648466284 JHIGKXVHORWOMI-GJZGRUSLSA-N 246.398 3.910 30 20 BHED CCCCCCCCC(=O)NC1CC(F)(F)C1 760656972 VSYBGPTYNOZJEM-UHFFFAOYSA-N 247.329 3.651 30 20 BHED CCON=C1CCCC[C@@H]1c1ccccc1 767464336 PLXKYBTYXQYMTC-CYBMUJFWSA-N 217.312 3.737 30 20 BHED CCCCCCCCCNC(=O)C(C)(C)F 768301035 WLXBIUCKGASKDL-UHFFFAOYSA-N 231.355 3.601 30 20 BHED CC(C)[C@H]1CCCC1=NOC1CCCC1 774596821 MSPZVUQCLHANDS-GFCCVEGCSA-N 209.333 3.758 30 20 BHED CC(C)CC[C@@H]1CCCC1=NN=c1cc[nH]cc1 779812015 WFSCZEJKWJRFPY-ZDUSSCGKSA-N 245.370 3.508 30 20 BHED C=C(Cl)CN[C@H]1CC[C@](C)(c2ccccc2)C1 783251301 JRVIUFWICHVPJG-GJZGRUSLSA-N 249.785 3.839 30 20 BHED C=C(C)CCOC(=O)c1csc(Cl)c1 786461702 UCFBDPJEDMLMKC-UHFFFAOYSA-N 230.716 3.525 30 20 BHED C#CCC1(C(=O)N(C)[C@H](C)CCC)CCCCC1 788430613 AGBRBECRABLGRS-CQSZACIVSA-N 249.398 3.607 30 20 BHED C=CCCCCC(C)=NNc1cc(C)ccn1 834964545 NODZXFBSKQWQAE-UHFFFAOYSA-N 231.343 3.924 30 20 BHED CC(C)ON=C1CC[C@@H](c2ccccc2)C1 835002620 QOTWWQAIFZMVCT-CYBMUJFWSA-N 217.312 3.735 30 20 BHED CCc1nc(C(C)C)ccc1CON=CC1CC1 853735966 GOVPBPIGZIBVJT-UHFFFAOYSA-N 246.354 3.680 30 20 BHED C=CCN(C/C=C/c1ccccc1)C(C)C 917068771 BFHDJDFDONQDHH-DHZHZOJOSA-N 215.340 3.596 30 20 BHED N#Cc1ccccc1SC1CCSCC1 917102711 AEFGENZPJZQWQU-UHFFFAOYSA-N 235.377 3.546 30 20 BHED C=C[C@H](CC)CC(=O)Nc1ccccc1OCC 929673232 VFQZAJMUXIDNFU-GFCCVEGCSA-N 247.338 3.626 30 20 BHED CC(C)(C)ON=C1CS[C@@H](C(C)(C)C)C1 1327801165 UIZXOMSZQDGQFM-SNVBAGLBSA-N 229.389 3.709 30 20 BHED C#CCCCCCC(=O)N1CCC[C@H]1CCC=C 1337558319 OJUMPMIZKWFENC-OAHLLOKOSA-N 247.382 3.527 30 20 BHED C[C@H]1CCC[C@@H](N(C)Cc2ccccc2C#N)C1 42240527 QTWCCOHGJHPFOP-XJKSGUPXSA-N 242.366 3.569 30 20 BHED C=CCCNc1cccc(NC(=O)CCC)c1C 77245554 HNYDEJPXMYHSDE-UHFFFAOYSA-N 246.354 3.722 30 20 BHED Cc1cc(F)cc(NCc2cc(C#N)cs2)c1 93688483 MWRNDTIXCDBGTB-UHFFFAOYSA-N 246.310 3.679 30 20 BHED CCCCCCC[C@@H](C)NCC1CCOCC1 111156861 BAFFUPFVOVLLKY-CQSZACIVSA-N 241.419 3.752 30 20 BHED C=C(C)CNCc1ccc(SC(F)F)cc1 119667014 JRBLJHYPDCHCNS-UHFFFAOYSA-N 243.322 3.667 30 20 BHED C#C[C@@H](C)NCc1cc(-c2ccccc2)cs1 123066298 IZHJGWCITYVWOF-GFCCVEGCSA-N 241.359 3.526 30 20 BHED C=CC[C@H](C)[C@H](C)Nc1cccc(C#N)c1 134798086 QFSXSUHPXHNASE-RYUDHWBXSA-N 214.312 3.571 30 20 BHED C=C(C)CN(C)[C@@H](C)c1nc2ccccc2s1 171128068 ADGSXSMOUUQZHU-NSHDSACASA-N 246.379 3.865 30 20 BHED Cc1ccc(CNc2cc(F)cc(C#N)c2)cc1 227606025 RENAIAZNJOAPPS-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C[C@H]1CCC[C@@H](COc2cccc(C#N)c2)C1 302472151 ZMDHRMLTHFBVSR-GXTWGEPZSA-N 229.323 3.763 30 20 BHED C=CCC[C@H](CC)NCc1cscc1C 308948848 ONZLKVFVLDQQII-ZDUSSCGKSA-N 223.385 3.891 30 20 BHED C=CCC(C)(C)CN[C@H]1CCCC1(C)C 310571954 OFSCXSRPADVYBX-LBPRGKRZSA-N 209.377 3.757 30 20 BHED CC[C@@H](C)CCC(=O)Nc1ccccc1CC#N 344339470 UCBHOCKLXLDWCL-GFCCVEGCSA-N 244.338 3.517 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCc2ccc(OC)cc21 393778578 OZYPIQOXTYQOKS-XJKSGUPXSA-N 245.366 3.627 30 20 BHED C=CCCCSCc1cn2cccc(C)c2n1 439543781 RKCKUVFDVVVCHC-UHFFFAOYSA-N 246.379 3.842 30 20 BHED CC(C)[C@H]1CN(CCCC#N)c2ccccc21 447396530 KRARDCTVPNUDBP-CQSZACIVSA-N 228.339 3.550 30 20 BHED C=CCCCN[C@@H]1c2cc(F)ccc2C[C@H]1C 448023644 UOMHJMOLAYJSNE-ABAIWWIYSA-N 233.330 3.615 30 20 BHED C=CCC[C@@H](CC)NCc1cnc(C)cc1C 449733551 ILGLIHSEQKFWAJ-OAHLLOKOSA-N 232.371 3.533 30 20 BHED C[C@H](N(C)CC#Cc1ccc(F)cc1)C(C)(C)C 533461330 IIJXSKMFELEXSK-ZDUSSCGKSA-N 247.357 3.544 30 20 BHED CC#CCNc1ccc(-c2ccco2)cc1F 556056902 LVVNQOCFIGZNPX-UHFFFAOYSA-N 229.254 3.521 30 20 BHED C=CCC[C@@H](C)Nc1ccc([C@H]2CCOC2)cc1 581958131 MFFVMIWFSFFYQK-HIFRSBDPSA-N 245.366 3.957 30 20 BHED C[C@H](CCC#N)CN1CCCC12CCCCC2 602483864 JFTMESRBQVDXBQ-CQSZACIVSA-N 234.387 3.725 30 20 BHED C[C@@H](CCC#N)CNC(C)(C)CC(C)(C)C 602512296 SNPXTHHXADYTFO-LBPRGKRZSA-N 224.392 3.731 30 20 BHED CC[C@H](C)[C@H](C)N(CC1(CC#N)CC1)C1CC1 602772647 MIZHIBTXDLWGJG-STQMWFEESA-N 234.387 3.579 30 20 BHED CCCC[C@@H](NCC1(CC#N)CC1)C1CCC1 602807863 WZPBLEPWIFNMDE-CQSZACIVSA-N 234.387 3.629 30 20 BHED Cc1ccccc1C(C)(C)NCC1(CC#N)CC1 602831528 IVRBXCPJISMIIH-UHFFFAOYSA-N 242.366 3.514 30 20 BHED C=CCCCOC(=O)C1(c2cccc(C)c2)CC1 735532802 PVDYKSMBJNGTIT-UHFFFAOYSA-N 244.334 3.536 30 20 BHED CC1(C)CCCC1=NNc1cccc(F)c1 749859713 XQSNQUJASTYKBL-UHFFFAOYSA-N 220.291 3.804 30 20 BHED C=CCCOC(=O)c1cccc(-c2ccoc2)c1 760571387 JXPZAAKGYMCYAV-UHFFFAOYSA-N 242.274 3.680 30 20 BHED C#CCCN(Cc1ccc2ccccc2c1)C1CC1 760822565 WYPLMSFTPRXESF-UHFFFAOYSA-N 249.357 3.828 30 20 BHED C=CC[C@H](C)[C@@H](C)NCc1ccc(C)c(F)c1 764737916 KCJYDTHEGLGRTM-WCQYABFASA-N 235.346 3.824 30 20 BHED C#CCCCCC(=O)NCC[C@H]1CCCC[C@H]1C 773305034 ZVYYLVHLKZUVRQ-HUUCEWRRSA-N 249.398 3.513 30 20 BHED C[C@@H]1CC(=NOC2CCCC2)C[C@H](C)C1 774596703 KDZXCGLGBFDHBD-PHIMTYICSA-N 209.333 3.758 30 20 BHED C#CCCCCCC(=O)NC1[C@H](C)CCC[C@H]1C 779807001 LIYIPTOMYBEFOD-ZIAGYGMSSA-N 249.398 3.511 30 20 BHED C#CCCCCCC(=O)N1CCC[C@H](CCC)C1 779934472 RYIZPAOBVRRGAC-HNNXBMFYSA-N 249.398 3.609 30 20 BHED Cc1ccc(C)c(NN=Cc2cc(C)ns2)c1 785450562 HNTXUXBEKPYGGO-UHFFFAOYSA-N 245.351 3.514 30 20 BHED C/C=C/C[S@](=O)CCCCCCCC 790140878 YQCJKQYEJGGGEM-YVZNUBBCSA-N 216.390 3.672 30 20 BHED CCCCC(=O)Oc1cc(C)c(C#N)c(C)c1C 809034450 GGQWZAPNUPUXTI-UHFFFAOYSA-N 245.322 3.579 30 20 BHED C=CCOCCSC(CC)(CC)CC 814761548 ZYLJSIRBKYQUMR-UHFFFAOYSA-N 216.390 3.891 30 20 BHED CCC(C=NNc1ncccc1F)(CC)CC 814927369 LGKNFTOMYOTXNA-UHFFFAOYSA-N 237.322 3.835 30 20 BHED C=CCC(F)(F)C(=O)N[C@@H](CCC)CCCC 815754132 CZOAKKPNXWTYCQ-NSHDSACASA-N 247.329 3.673 30 20 BHED Cc1cccc(C(C)C)c1NC(=O)C#CC(C)C 829604077 RAJBYFZDPXMFKC-UHFFFAOYSA-N 243.350 3.716 30 20 BHED C[C@@H](NN=C1CCCCCCC1)C(F)(F)F 834996161 HMFCZEHKRAKLNB-SECBINFHSA-N 236.281 3.627 30 20 BHED CCON(CC1CCCCC1)[C@H](C)CCC#N 839614530 CXXQDGUYGLUPNC-CYBMUJFWSA-N 238.375 3.512 30 20 BHED C=CC(C)(C)CC(=O)Nc1ccc(C)cc1F 878358237 MPWJDFKGUWZUPB-UHFFFAOYSA-N 235.302 3.675 30 20 BHED C=CCN(Cc1ccccc1)C(=O)/C=C\CCC 920455672 QAGRMPVTFYQOFX-GHXNOFRVSA-N 243.350 3.558 30 20 BHED CC1(C)CCC(CN(CCC#N)CC2CC2)CC1 1307515506 VQCOJXHCJIOTHI-UHFFFAOYSA-N 248.414 3.828 30 20 BHED C=C(C)CCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 1335711452 AECHIQHPEACUOO-ZNMIVQPWSA-N 249.398 3.770 30 20 BHED C[C@@H]1CCCC[C@H]1Nc1cccc(C#N)c1 19921974 FXIQAKOLYHLZRY-BXUZGUMPSA-N 214.312 3.549 30 20 BHED C[C@@H](Nc1ccc(C#N)cc1F)c1ccccc1 37507374 QKAGEGIFYRSMNA-LLVKDONJSA-N 240.281 3.870 30 20 BHED C=CCNc1ccc(Cl)cc1Br 87917272 GVUJBKUNMFNERX-UHFFFAOYSA-N 246.535 3.700 30 20 BHED N#CCC1(COc2ccc(F)cc2Cl)CC1 88272146 CJOVQMNIIKJTOP-UHFFFAOYSA-N 239.677 3.552 30 20 BHED C=CCC[C@@H](C)Nc1ccc(F)c(F)c1 96034345 IQNAGBKIIFRKOB-SECBINFHSA-N 211.255 3.731 30 20 BHED C[C@@H]1CCC[C@H](Sc2cccnc2C#N)C1 130903057 MPXFTBQJRVOEGS-MNOVXSKESA-N 232.352 3.624 30 20 BHED CC#CCCCC(=O)Nc1ccc(Cl)cc1C 184868490 PUQSKLCZYVUFBM-UHFFFAOYSA-N 249.741 3.781 30 20 BHED C#CCC(C)(C)C(=O)Nc1cccc(C(C)C)c1 184972496 BIHKZFLRDNEDMT-UHFFFAOYSA-N 243.350 3.798 30 20 BHED C#CCCCN[C@H](C)CCCCCCC 231881756 RRVMTSKYVNKWGN-CQSZACIVSA-N 209.377 3.738 30 20 BHED CCC[C@@H](CC)Nc1cc(C(C)=O)ccc1C#N 302124242 VQNBFYUHUQEEFI-CQSZACIVSA-N 244.338 3.751 30 20 BHED C=CCCCCN[C@H](C)c1ccc(Cl)nc1 309363815 AYLLBHBMJNQPTH-LLVKDONJSA-N 238.762 3.742 30 20 BHED C=C(CC)CN[C@@H](c1ccc(OC)cc1)C1CC1 313490393 VRPIOHLEQMBSIW-MRXNPFEDSA-N 245.366 3.702 30 20 BHED C=CCN(Cc1cccc(C)c1)Cc1ccco1 345343072 IPIAHAQKTMZOLD-UHFFFAOYSA-N 241.334 3.776 30 20 BHED C=CCCCC(=O)N1CCCC2(CCCC2)C1 354212313 PXDINLIXYPVVSB-UHFFFAOYSA-N 235.371 3.526 30 20 BHED C=C(CC)CS[C@H](C)C(=O)Nc1ccccc1 358640955 ZVTLQDSOJWRRPI-GFCCVEGCSA-N 249.379 3.713 30 20 BHED C=C(Cl)CN[C@@H](C)c1c(F)cccc1Cl 379796058 KLLOQTJJLUQBOX-QMMMGPOBSA-N 248.128 3.882 30 20 BHED C=CC[C@@H](CC)Nc1ccc(C#N)c(Cl)c1 381401462 RDFBWSJRCTYKCZ-LLVKDONJSA-N 234.730 3.978 30 20 BHED C=CCC[C@H](NCc1cscc1C)C1CC1 390477132 LEMMBWAHXIBYQP-AWEZNQCLSA-N 235.396 3.891 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C 410478173 YJLULPUGLFWMLS-RWMBFGLXSA-N 237.387 3.530 30 20 BHED C=CCCN(C)C[C@H](OC(C)C)c1ccccc1 428498854 XOYHZJWMRZEJSN-INIZCTEOSA-N 247.382 3.661 30 20 BHED C[C@H]1CCC[C@H](CCN(C)CC(C)(C)C#N)C1 433301769 WDTKSPSHSCUAJY-UONOGXRCSA-N 236.403 3.684 30 20 BHED C[C@@H]1CC[C@@H](N(C)CCCCC(C)(C)C#N)C1 444707894 QMHDJULYJQNVPY-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED C=CCCCC[C@H](C)NC[C@H]1CCC[C@@H]1OC 449199983 CXQLKFGUEIZMOH-ZNMIVQPWSA-N 239.403 3.526 30 20 BHED C=CCC[C@H](CCC)N[C@H](C)[C@H](OC)C1CC1 449633230 TXPMZTOICMTYSR-SNPRPXQTSA-N 239.403 3.524 30 20 BHED C=CCC1(C(=O)N[C@@H](C)CC(C)C)CCCC1 450199053 KLRXFROMDPPKHB-ZDUSSCGKSA-N 237.387 3.674 30 20 BHED CCCCC[C@H]1CCCN1c1ccc(C#N)nc1 486904278 AOSCKWOHSXPDHX-AWEZNQCLSA-N 243.354 3.502 30 20 BHED C=CC1CCN(C[C@H]2C[C@H]2c2ccccc2)CC1 538730467 NJFOICDIGPLJPC-SJORKVTESA-N 241.378 3.688 30 20 BHED N#Cc1cccc(OCCCc2ccsc2)c1 543018291 UOHFBLHBLFCCGV-UHFFFAOYSA-N 243.331 3.631 30 20 BHED C=CCC(C)(C)c1noc([C@@H](C)C(F)(F)F)n1 579384547 XJXOZSCXTKUAQR-SSDOTTSWSA-N 248.248 3.589 30 20 BHED CC[C@@H](Cc1ccccc1)NC[C@H](C)CCC#N 602531814 KYLRFFGLOZFVAV-ZBFHGGJFSA-N 244.382 3.537 30 20 BHED Cc1ccc(C[C@@H](C#N)SCC(C)C)cc1 603452227 JYLWUGDCASEYRT-AWEZNQCLSA-N 233.380 3.819 30 20 BHED C=C(C)CN(CC)Cc1ccc2cnccc2c1 683823148 DSBIXMBABREMLF-UHFFFAOYSA-N 240.350 3.633 30 20 BHED C=CCCNc1ccc(C(F)(F)F)c(OC)c1 684093886 FJBQRHSKYFJWCH-UHFFFAOYSA-N 245.244 3.702 30 20 BHED C=CCCOC(=O)C1(c2cccc(C)c2)CCC1 729072608 QKDOAVVIBIWAPO-UHFFFAOYSA-N 244.334 3.536 30 20 BHED C[C@H](/N=C\c1ccccc1O)C1CCCCC1 741466157 GREZNKALTFQFLK-IEMQHYRPSA-N 231.339 3.780 30 20 BHED CCC(=NNc1cc(C)cc(C)c1)[C@H]1CCOC1 741837983 OPOKJHNSIZXJMZ-ZDUSSCGKSA-N 246.354 3.518 30 20 BHED CC(C)[C@@H]1CCCCC1=NOCc1cccnc1 746587944 GXYWCVVPVQTEFE-AWEZNQCLSA-N 246.354 3.800 30 20 BHED C#CCN(C(=O)C[C@H](C)CCC)C1CCCCC1 748638815 QYSQOVSDTBGIGQ-CQSZACIVSA-N 249.398 3.607 30 20 BHED O=C(/C=C\c1ccc(Cl)cc1)c1cscn1 769266521 XDPWKYHXCFNHKG-UTCJRWHESA-N 249.722 3.693 30 20 BHED CCC(CC)CNN=C1CCC[C@H](C)C1 774474371 ZTZHMISQBRQJNY-NSHDSACASA-N 210.365 3.578 30 20 BHED C=C[C@@](C)(CC)C(=O)Oc1ccc(C)c(C)c1 786608479 IEHVOTCZRNLDOX-HNNXBMFYSA-N 232.323 3.811 30 20 BHED CC[C@@H]1C[C@H](C)CCC1=NNc1cccc(F)n1 795009625 FSARILPWBQXHHA-GHMZBOCLSA-N 249.333 3.835 30 20 BHED CCc1cccc(C)c1NN=C[C@@H]1C[C@@H]1C 799493746 NOURIJXDKMULDK-AAEUAGOBSA-N 216.328 3.611 30 20 BHED Fc1ccc(NN=CC2CCCC2)c(F)c1F 814945915 WQFCVGUNFGWZRF-UHFFFAOYSA-N 242.244 3.692 30 20 BHED C=CCOc1cccc(NC(=O)/C=C(\C)CC)c1 822735457 MPXSKJKHLHIETJ-ZRDIBKRKSA-N 245.322 3.546 30 20 BHED CCCCCCCC(C)=NNc1ccncn1 835000806 APJLBHSYWODUNH-UHFFFAOYSA-N 234.347 3.625 30 20 BHED CCCON=C1CCC[C@H](C(F)(F)F)C1 842553620 JIUHLQRZJOTAJU-QMMMGPOBSA-N 223.238 3.522 30 20 BHED N#C[C@@H]1CC[C@@H](Sc2ncc(Cl)s2)C1 850000397 TXGRBSMLTSBSSL-RNFRBKRXSA-N 244.772 3.581 30 20 BHED Cc1ccc([C@H](C)C=NOC(C)C)cc1 863115922 CYJUZQLUXPUCJQ-GFCCVEGCSA-N 205.301 3.509 30 20 BHED CC(C)c1ccc(N[C@H]2CCC[C@@H](C#N)C2)cn1 903340657 XESHMJBQFKSJKV-OLZOCXBDSA-N 243.354 3.699 30 20 BHED CCCCCCCC(=O)N(CC1CC1)C(C)C 915055419 MRMLYDAQBKCDDJ-UHFFFAOYSA-N 239.403 3.994 30 20 BHED CCCCCCC(C)=NNc1nc(C)cc(C)n1 917563470 MDWQNRGIRXMBKB-UHFFFAOYSA-N 248.374 3.852 30 20 BHED C[C@H](CN(C)CC1(CC#N)CC1)C1CCCCC1 1175238474 KHZDJFSIAJMCNS-CQSZACIVSA-N 248.414 3.828 30 20 BHED C[C@H]1CCC[C@H](N(C)Cc2ccc(C#N)cc2)C1 42240521 HKVOLPLBDCFBOS-BBRMVZONSA-N 242.366 3.569 30 20 BHED CC(C)CCC[C@@H](C)Nc1ccc(C#N)cn1 42591393 WSGZFCXWELXYMU-GFCCVEGCSA-N 231.343 3.580 30 20 BHED N#Cc1c(Cl)cccc1N1CCCCCC1 48727858 DUIMWGLSWHVVLO-UHFFFAOYSA-N 234.730 3.592 30 20 BHED Cc1c(F)cccc1NCCCC(C)(C)C#N 87597867 XXQWRXRNFUDJHY-UHFFFAOYSA-N 234.318 3.876 30 20 BHED CN(CCCC(C)(C)C#N)C1CCCCC1 87608427 DTCBSPVNVJHCDD-UHFFFAOYSA-N 222.376 3.581 30 20 BHED CCCCCCCC(=O)N1CCc2ccccc21 100168515 DLUTZMMEERDJAU-UHFFFAOYSA-N 245.366 3.936 30 20 BHED Cc1cccc([C@H]2CCCN2CCCC#N)c1C 122317436 HGBJQYIZKFHTPH-MRXNPFEDSA-N 242.366 3.744 30 20 BHED C=C(C)CNCc1c(OC)ccc2ccccc12 122559662 MKLVQWRGTNPBCQ-UHFFFAOYSA-N 241.334 3.514 30 20 BHED CCSCC[C@@H](C)Nc1ccc(C#N)cc1 127339356 NDZGLSUOJPEBQS-LLVKDONJSA-N 234.368 3.502 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 132683400 AIXMDOZTUZMCMG-STQMWFEESA-N 233.355 3.699 30 20 BHED C[C@@H]1CSC(SCCCC(C)(C)C#N)=N1 155441845 DMTJPCYXPRZTDK-SECBINFHSA-N 242.413 3.541 30 20 BHED C=C(C)CCNCC[C@@H](C)c1ccccc1 168985763 AXFXPGRTOZWGGE-CQSZACIVSA-N 217.356 3.736 30 20 BHED C#CCCCNc1cc(C(F)(F)F)ccc1F 169041959 ZTOOSMWXSONEFK-UHFFFAOYSA-N 245.219 3.670 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1cncc(C)c1 184432130 LXXWAAPHMAUXGO-UONOGXRCSA-N 232.371 3.785 30 20 BHED C#CCC(C)(C)C(=O)Nc1cccc(Cl)c1C 184868769 KSNLISKLGDJJKX-UHFFFAOYSA-N 249.741 3.636 30 20 BHED Cc1c(F)cccc1N[C@H]1CCC[C@H](C#N)C1 185737730 LAICNDVZKKACEY-RYUDHWBXSA-N 232.302 3.628 30 20 BHED C=CCCC(=O)N[C@H](C)c1cc2ccccc2o1 189038835 XVDQOYGRKTTZBF-LLVKDONJSA-N 243.306 3.576 30 20 BHED CC(C)N(CC1CCC1)CC(C)(C)CCC#N 195080003 VAZFSGHZMGEEEB-UHFFFAOYSA-N 236.403 3.827 30 20 BHED C[C@H]1C[C@H](C)CC[C@H]1NCc1cc(C#N)cs1 224161724 ARKIKTNOPDBKBK-UHIISALHSA-N 248.395 3.534 30 20 BHED C=CCSc1nccn1-c1cc(C)ccc1C 247896535 XJFMZUTZELJSFR-UHFFFAOYSA-N 244.363 3.767 30 20 BHED C[C@H](SCCCC#N)c1ccccc1F 299456479 WCHIOHIQXSNQEK-JTQLQIEISA-N 223.316 3.924 30 20 BHED Cc1cc(C#N)cc(N[C@@H](C)CC2CCC2)c1 308101851 IAMXIXJMEYYFLQ-LBPRGKRZSA-N 228.339 3.857 30 20 BHED CC[C@H](CC#N)N[C@H](C)C[C@@H](C)CC(C)C 310039551 XBSUPZFDSSLDIO-BFHYXJOUSA-N 224.392 3.729 30 20 BHED Cc1cccc(CNc2cccc(CC#N)c2)c1 313433152 BTIHVPXHHXZZFF-UHFFFAOYSA-N 236.318 3.673 30 20 BHED Cl/C=C/CON=Cc1ccsc1Cl 393556460 OJFXGMHJTSCFHW-NJGREUEQSA-N 236.123 3.505 30 20 BHED C=CC[C@H](CC)N[C@@H](C)CCc1ccc(O)cc1 393765916 BRIZQSPPTOFCEA-ZFWWWQNUSA-N 247.382 3.658 30 20 BHED CC[C@H]1CCCN1CC#Cc1cccc(Cl)c1 446839524 BCJGRCQRXDBDHU-HNNXBMFYSA-N 247.769 3.566 30 20 BHED C=CCC[C@@H](CCC)N[C@H](CC)C(F)F 449363998 QUWXGJUYYKOZGI-GHMZBOCLSA-N 219.319 3.755 30 20 BHED C=CCCc1noc(/C=C/c2ccc(CC)o2)n1 453235496 MBJBAWBCUDPXRR-MDZDMXLPSA-N 244.294 3.514 30 20 BHED C=CCC[C@@H](CC)N[C@H]1CCC[C@@H]2C[C@H]12 459777462 VZQGFTCWDCFPNF-MQYQWHSLSA-N 207.361 3.509 30 20 BHED CC#CCSCc1cccc(OC(F)F)c1 464077096 UQRAUKOHUDVKSM-UHFFFAOYSA-N 242.290 3.545 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@@H](C)CC1 468074579 SGMAAQHUTUXWEP-UKRRQHHQSA-N 249.398 3.840 30 20 BHED C=CCCCCNC(=O)C(CCC)CCC 471666074 FCESYPPBWXCWPJ-UHFFFAOYSA-N 225.376 3.675 30 20 BHED C=CCCCOc1ccc(CC)cc1[N+](=O)[O-] 522707390 DLWGMAGTGMVIIY-UHFFFAOYSA-N 235.283 3.502 30 20 BHED C=CCN1CCC[C@H](C)[C@H]1c1ccc(C)cc1 523448294 RIXNNLJWZHCNGG-HOCLYGCPSA-N 229.367 3.954 30 20 BHED C=C(CC)CN(Cc1ccc(C#N)cc1)C(C)C 538001534 BLPUSGKIKIHIAG-UHFFFAOYSA-N 242.366 3.735 30 20 BHED C=C(CC)CN(C)Cc1ccc(Cl)s1 540193466 KUVCCKPPRUWCCX-UHFFFAOYSA-N 229.776 3.800 30 20 BHED CCC(CC)Sc1nccc(C#N)c1Cl 570620750 DAHLMBKJPTXCPA-UHFFFAOYSA-N 240.759 3.887 30 20 BHED C=CCC[C@H](C)NCc1ccc(NCCC)cc1 571150558 CWGMWHYXRRHTCJ-AWEZNQCLSA-N 246.398 3.953 30 20 BHED C=CCCCCSCCC1CCOCC1 591393954 BJSFCTCXUSHIQB-UHFFFAOYSA-N 228.401 3.893 30 20 BHED CC(C)[C@H](NC[C@@H](C)CCC#N)c1ccccc1 602502759 NEBMKVKIZMZZOE-HOCLYGCPSA-N 244.382 3.913 30 20 BHED CC#CCN1CCC[C@@H]1c1ccccc1Cl 607724093 AJSULYBOOHOPAD-CQSZACIVSA-N 233.742 3.500 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@@]2(C)CC=CCC2)C1 617777058 HHGDDWZMTWCESQ-ZBFHGGJFSA-N 247.382 3.548 30 20 BHED C[C@@H]1CC[C@@H](C)[C@@H](Nc2cc(F)cc(C#N)c2)C1 718564087 JOBAQYIJPKECBU-HFAKWTLXSA-N 246.329 3.934 30 20 BHED CC(C)CC[C@@H]1CCCC1=NOCC(F)F 758900217 SHZCBHRZBPRKEG-JTQLQIEISA-N 233.302 3.860 30 20 BHED CCCC(C)=NNc1cc(C)ccc1F 759666846 PPXYNZGVCNQKPQ-UHFFFAOYSA-N 208.280 3.722 30 20 BHED Cc1ccc(F)c(NN=C[C@H]2CC=CCC2)c1 759667327 XDMKGCBYHKCSCJ-LBPRGKRZSA-N 232.302 3.888 30 20 BHED C/C(C=NOCC(F)(F)F)=C/c1ccccc1 764847204 UIHVDUJUPKDYOY-RPAMSGJJSA-N 243.228 3.655 30 20 BHED C#CC[C@@H](NCC/C=C\CC)c1ccccc1 767340103 ZJLLQJBVTWMVNS-OGZRUICASA-N 227.351 3.697 30 20 BHED C#CCCCCN[C@H]1CCc2ccc(Cl)cc21 773041178 OLEUPBQCUUERSY-HNNXBMFYSA-N 247.769 3.720 30 20 BHED CCOCCON=C1CCC[C@@H]1CCC(C)C 774421513 GNHKVQJUUJNMFA-CYBMUJFWSA-N 241.375 3.632 30 20 BHED C[C@@H](NCCC1CCC1)c1ccc(C#N)c(F)c1 776746103 KXBMTQLCUWSTJZ-LLVKDONJSA-N 246.329 3.538 30 20 BHED C=C(C)CN(C)C(=O)CCCCCCCC 778126658 PFNJZYSXGJDHSS-UHFFFAOYSA-N 225.376 3.772 30 20 BHED C=C(C)CCOC(=O)c1cc2cccc(F)c2o1 783104469 IATREJMNNNZUDR-UHFFFAOYSA-N 248.253 3.695 30 20 BHED C[C@@H]1CC[C@H](C=NOCc2ccccc2)C1 800810332 OXCNJDPZKXLIAW-OCCSQVGLSA-N 217.312 3.625 30 20 BHED FC(F)CON=C1CCC2(CCCC2)CC1 811647289 DSNZWJKWUYAXAB-UHFFFAOYSA-N 231.286 3.759 30 20 BHED CC[C@H]1CCCC(=NOC/C=C\Cl)C1 811671137 AJNANRHWUHWVDE-MTMRBMNISA-N 215.724 3.712 30 20 BHED CC1(C)CC(=NNc2ccc(F)cc2F)C1 814686753 YUEUXTWHLHEWGY-UHFFFAOYSA-N 224.254 3.553 30 20 BHED CC[C@@H](C)NN=C1CCCCC12CCCC2 814913773 VKWHMQWHTOCLCG-GFCCVEGCSA-N 222.376 3.865 30 20 BHED C[C@H]1CC[C@@H](C)CC1=NOCCC(F)(F)F 834971763 HAKNFRCADLWLMJ-BDAKNGLRSA-N 237.265 3.768 30 20 BHED F[C@H]1CCCC1=NNc1nccc2sccc12 872344707 VZNDFOVJHPQLLC-VIFPVBQESA-N 249.314 3.586 30 20 BHED CCCCN(CCCC)c1cccc(CC#N)n1 1116661799 JZILLDAWLPLZAL-UHFFFAOYSA-N 245.370 3.554 30 20 BHED C=C(CC)C(=O)N(C)[C@H](C)c1ccc(C)cc1C 1123490985 BJUAHROTTOBWIR-CQSZACIVSA-N 245.366 3.789 30 20 BHED CC(C)(C)ON=C/C=C\c1ccc(F)cc1 1253788288 DOJQETPOLSKXJB-GTTIHGKRSA-N 221.275 3.640 30 20 BHED CC(C)(CCC#N)CN1CC[C@@H]2CCCC[C@H]2C1 1319682806 XTDNNCDRIWPVNU-GJZGRUSLSA-N 248.414 3.828 30 20 BHED C=C[C@](C)(CC)c1nnc(CC(C)(C)C)o1 1327355066 RREORIPCKBRMNL-CYBMUJFWSA-N 222.332 3.512 30 20 BHED CCCC[C@H](CC)CN1CCC[C@](C)(C#N)C1 1559671442 PSWLEHXAZHSESI-LSDHHAIUSA-N 236.403 3.828 30 20 BHED CC[C@H]1CCC[C@@H](CNCC(C)(C)CC#N)C1 1560500248 HQUOAEGENNHDJL-UONOGXRCSA-N 236.403 3.732 30 20 BHED C[C@H](CCC#N)CN1CCCc2c(F)cccc21 1664238668 SZTGTPDZRPPEFA-GFCCVEGCSA-N 246.329 3.518 30 20 BHED CCCC[C@H](CC)CNCc1ccc(C#N)cc1 21009186 VUVGGBAODKWEMM-AWEZNQCLSA-N 244.382 3.864 30 20 BHED CC[C@@H](C)CNc1ccc(C#N)c(Cl)c1 37393153 RWNASEJBGGYOEV-SECBINFHSA-N 222.719 3.670 30 20 BHED CC(C)(C)CNc1cc(Cl)ccc1C#N 41051267 TXMMRKSUJAVNOD-UHFFFAOYSA-N 222.719 3.670 30 20 BHED C[C@@H]1CCC[C@H](N(C)Cc2ccccc2C#N)C1 42240524 QTWCCOHGJHPFOP-CJNGLKHVSA-N 242.366 3.569 30 20 BHED N#CCSc1ccc(-c2ccccc2)cc1 71962518 AZLLYMFTQMWQGQ-UHFFFAOYSA-N 225.316 3.969 30 20 BHED C=CCCNc1ccc(Br)c(F)c1 83826608 QCEHUAUFCJYWLX-UHFFFAOYSA-N 244.107 3.576 30 20 BHED C[C@@H]1CC[C@H](Nc2cccc(C#N)c2)[C@H](C)C1 85085102 WFZVBEHHVPCSAG-JMSVASOKSA-N 228.339 3.795 30 20 BHED C=C[C@H](C)NCc1ccc2cc(OC)ccc2c1 123180085 FBSMXAIWVXNBHL-LBPRGKRZSA-N 241.334 3.513 30 20 BHED C=CC[C@@H](C)N[C@H]1CCc2c(Cl)cccc21 125930630 OSGIXASLMYESAV-YGRLFVJLSA-N 235.758 3.882 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCc2cc(C)ccc21 129653032 XVJZLBGMDJHMIK-IUODEOHRSA-N 215.340 3.537 30 20 BHED CC(C)(C#N)CCNc1ccc(F)c(Cl)c1 131695658 UHAOMJXEERTHOM-UHFFFAOYSA-N 240.709 3.831 30 20 BHED CCc1ccc(NCc2ccc(C#N)s2)cc1 135683646 XLBRJUGVDUQRCM-UHFFFAOYSA-N 242.347 3.794 30 20 BHED CC(C)CC1(CNCc2ccc(C#N)s2)CC1 152858087 PSRBAIBVANAIEA-UHFFFAOYSA-N 248.395 3.536 30 20 BHED C=C(C)CNC(=O)Nc1ccc2ccccc2c1 156068117 WHSRLBSZVYRMCD-UHFFFAOYSA-N 240.306 3.537 30 20 BHED C=C(C)CN1CC[C@@H](CSc2ccccc2)C1 174142624 ATAWRZNFHZOLOJ-CQSZACIVSA-N 247.407 3.677 30 20 BHED C=C(C)CN[C@H](C)c1nc(C(C)(C)C)cs1 184467799 DCUNPASOWGMEBB-SNVBAGLBSA-N 238.400 3.667 30 20 BHED CCC1(CNc2cccc(F)c2C#N)CCC1 232967241 ZHFIHONRDJKFJM-UHFFFAOYSA-N 232.302 3.690 30 20 BHED CC(=NNc1ccccc1)c1cc(C)ccc1O 254759778 YVWGWOAZVZHVKQ-UHFFFAOYSA-N 240.306 3.537 30 20 BHED C=CCC(C)(C)C(=O)Nc1cc(C)ccc1OC 297732148 DURAHDHDLNHJPP-UHFFFAOYSA-N 247.338 3.544 30 20 BHED C=CCC[C@H](CCC)NCC1(SC)CCC1 310025334 OZDNESCZVNADAO-ZDUSSCGKSA-N 241.444 3.997 30 20 BHED C=CCC(C)(C)CNCC(C)(C)CCC#N 336656586 LNQGKNCWFAENKA-UHFFFAOYSA-N 222.376 3.508 30 20 BHED C=C[C@H](C)N[C@H](C)c1cccc(C2CC2)c1 340263460 WEPHGHYLWOPUFU-NWDGAFQWSA-N 215.340 3.789 30 20 BHED N#CCCCSC/C=C\c1ccccc1 359027794 KFNFQVLLUHUAIG-TWGQIWQCSA-N 217.337 3.737 30 20 BHED C=CC[C@@H](CC)NCc1ccccc1Cl 393616485 SHPZRSUUFINXLK-GFCCVEGCSA-N 223.747 3.784 30 20 BHED C=CCC[C@H](CCC)N[C@H](C)C1(OC)CCC1 414303663 LUUAWSALFHKNFX-KGLIPLIRSA-N 239.403 3.669 30 20 BHED CC(C)C[C@H](C)C[C@@H](C)NCC1(CC#N)CC1 430731532 WIAMZHMECFDFJB-UONOGXRCSA-N 236.403 3.731 30 20 BHED CCCOc1ccccc1N[C@@H]1CC[C@@H](C#N)C1 442849273 BRARBLJVOVTWDS-CHWSQXEVSA-N 244.338 3.580 30 20 BHED C=CCC1(NC(=O)C[C@H]2C=CCC2)CCCCC1 456381444 LZAZNIZDRNYNJH-AWEZNQCLSA-N 247.382 3.738 30 20 BHED C=CCN1CCC(=Cc2ccc(F)c(F)c2)CC1 469445696 FWEFCJHFWLJWRP-UHFFFAOYSA-N 249.304 3.630 30 20 BHED C=CCCC1(C(=O)Nc2ccc(C)c(C)c2)CC1 474078309 BAALTOQSYGMADG-UHFFFAOYSA-N 243.350 3.988 30 20 BHED C=C[C@@H]1CCCCN1C(=O)CCC1CCCCC1 488838931 MWMSWVZOYILMJR-OAHLLOKOSA-N 249.398 3.914 30 20 BHED C=C(C)CCc1noc(C[C@@H](C)CC(C)C)n1 508609714 RUSLQXFKLLDVAA-LBPRGKRZSA-N 236.359 3.803 30 20 BHED C=CCCN(CC)[C@@H](C)c1ccc(F)cc1 525329066 ZMGBFLXWUIBUGJ-LBPRGKRZSA-N 221.319 3.785 30 20 BHED C=CCCCCCN(C)Cc1cccs1 539825514 DFGYZTFLDYUCOE-UHFFFAOYSA-N 223.385 3.926 30 20 BHED C[C@H]1CCCC[C@@H]1CN(CC#N)C1CCCC1 541535072 NBYHYEBJDSAKEK-UONOGXRCSA-N 234.387 3.581 30 20 BHED CC#CCN(C)C(c1ccccc1)c1ccccc1 559458825 MGGFVRYUTJBESV-UHFFFAOYSA-N 249.357 3.731 30 20 BHED C=CCCCCSCc1nnc(C2CC2)o1 574742702 LIQVWUVUSVYQLK-UHFFFAOYSA-N 238.356 3.537 30 20 BHED Cc1cccc([C@H](C)N2CCC[C@H](CC#N)C2)c1 595617301 YDJOKQKJRIZODT-LSDHHAIUSA-N 242.366 3.682 30 20 BHED CC(C)[C@@H]1CCC[C@@H](NC[C@H](C)CCC#N)C1 602544074 IRAYZQMIKDVLCF-RBSFLKMASA-N 236.403 3.731 30 20 BHED CCCCN(CCC#N)[C@@H](C)c1ccc(C)o1 604493528 BLGDBRCBKLREQZ-ZDUSSCGKSA-N 234.343 3.665 30 20 BHED CC(C)[C@H]1c2ccccc2CCN1CCCC#N 610788014 GYGWWLUIENPQHZ-INIZCTEOSA-N 242.366 3.546 30 20 BHED C=CCN(CC1CCCCC1)C(=O)/C(C)=C\CC 732644366 RJCBJJSUCJUDOY-ZROIWOOFSA-N 249.398 3.938 30 20 BHED c1ccc(CNN=C2CCC[C@@H](C3CC3)C2)cc1 737423155 QXAWZBQSRVGBJS-OAHLLOKOSA-N 242.366 3.732 30 20 BHED CC(CC1CCOCC1)=NNc1cccc(C)c1 757560735 ISTVZKDQQOUFQH-UHFFFAOYSA-N 246.354 3.600 30 20 BHED CC#CCCCC(=O)NCC1CCCCCCC1 767058415 TVJMYKRSCVOXMD-UHFFFAOYSA-N 249.398 3.657 30 20 BHED CC[C@H]1CCCC(=NNC2CCCCC2)C1 786043177 KCOTYQNMEDVQKW-LBPRGKRZSA-N 222.376 3.865 30 20 BHED CC(=NN[C@@H](C)C(C)(C)C)C1CCSCC1 793110787 CAFRIQJHAZFWME-NSHDSACASA-N 242.432 3.530 30 20 BHED C=CCCCCC[C@@H](C)NCCc1ccco1 793515758 JKDDCPWYNSARFE-CQSZACIVSA-N 235.371 3.937 30 20 BHED C#CC[C@H](N[C@@H]1CC[C@H]1CC)c1ccccc1 806148981 NDHYGNZIJIBXGA-VNQPRFMTSA-N 227.351 3.529 30 20 BHED C#C[C@@H](N[C@H](C)CCc1ccsc1)C(C)(C)C 809781250 LDCSROVEWQCFOF-TZMCWYRMSA-N 249.423 3.707 30 20 BHED FC(F)(F)C1CCC(C=NOCC2CC2)CC1 814244176 HIBOAOGVBDHDJN-UHFFFAOYSA-N 249.276 3.768 30 20 BHED CC(C)CON=C1CCCC12CCCC2 814884138 PHVLOEQLNDVVEK-UHFFFAOYSA-N 209.333 3.759 30 20 BHED Fc1ccc(CON=C2CC[C@H]2C2CCC2)cc1 814903621 RTSMLSSRPWRVOD-AWEZNQCLSA-N 247.313 3.908 30 20 BHED CCC(CC)CNN=C1CCC[C@H]1C(C)(C)C#N 814906546 ZLWZGSNGFJJKRP-CYBMUJFWSA-N 249.402 3.718 30 20 BHED CCCCCC(C)=NNc1cccc([N+](=O)[O-])c1 818203863 JXRLAQOMSQBSPF-UHFFFAOYSA-N 249.314 3.963 30 20 BHED C=CCC1(NC[C@@H]2CCC=CO2)CCCCC1 825024272 NEZCWGOOOUYQPL-AWEZNQCLSA-N 235.371 3.548 30 20 BHED Cc1ccccc1C1CC(=NOC(C)C)C1 835001088 UMGUGVVHNBPYEI-UHFFFAOYSA-N 217.312 3.653 30 20 BHED CCCON=C[C@H](C)c1cccc(Cl)c1 842554702 QYDZXRXWIFLXLN-JTQLQIEISA-N 225.719 3.856 30 20 BHED C=C(C)COC(=O)c1cc2ccc(Cl)cc2[nH]1 914924934 SJWZMVHWWLTRIK-UHFFFAOYSA-N 249.697 3.554 30 20 BHED Cc1cc(C)cc(C=NNc2cccc(F)c2)c1 921260114 SCTJFXUKYRDDPB-UHFFFAOYSA-N 242.297 3.889 30 20 BHED N#CC1(CCCCN2C[C@H]3CCC[C@H]3C2)CCC1 934346027 UXQSOMFEPAGIKP-GASCZTMLSA-N 246.398 3.582 30 20 BHED C=C[C@H](CC)CC(=O)Nc1c(C)cccc1OC 935671496 SAOARNSZOKUIMW-GFCCVEGCSA-N 247.338 3.544 30 20 BHED CCCN(CC(C)C)[C@H](C)c1cccc(C#N)c1 1190642539 DDFCATBXECRGFU-CQSZACIVSA-N 244.382 3.987 30 20 BHED C=C[C@@](C)(CC)c1nnc(-c2cc(C)cs2)o1 1329672077 NYTVYNLPAKTCLJ-ZDUSSCGKSA-N 248.351 3.960 30 20 BHED C[C@@H](C#N)S[C@@H](C)c1ccccc1F 1472983858 ZYWVLAFWTQDIBY-IUCAKERBSA-N 209.289 3.532 30 20 BHED Cc1cc(OC[C@H](C)CC(C)C)ccc1C#N 1613749970 KNALRFYJKWGHOA-GFCCVEGCSA-N 231.339 3.928 30 20 BHED CC(C)[C@@H]1CCC[C@H]1Nc1cccc(C#N)c1 1658695021 BQLYZSUMVLDKBU-LSDHHAIUSA-N 228.339 3.795 30 20 BHED CCNc1c(C#N)cnc2c(Cl)cc(C)cc12 50842208 ZNLXYYHZIJPETP-UHFFFAOYSA-N 245.713 3.500 30 20 BHED N#CCSCc1c(Cl)cccc1Cl 57813995 WFYNAKYWFWBCML-UHFFFAOYSA-N 232.135 3.750 30 20 BHED CN(CCC#N)C1c2ccccc2-c2ccccc21 78637588 YBXCILKRTBMVED-UHFFFAOYSA-N 248.329 3.602 30 20 BHED C=CCCCOc1ccc([N+](=O)[O-])c(Cl)c1 83748223 NTCPUFWHNFQDFD-UHFFFAOYSA-N 241.674 3.593 30 20 BHED C=CC[C@@H](C)NCc1cccc(OC(C)C)c1 116926517 FHPFZENKJDFRMN-CYBMUJFWSA-N 233.355 3.528 30 20 BHED C=CCC(CC=C)C(=O)N(C)c1ccc(F)cc1 125314304 WHNQTABMIQMHKG-UHFFFAOYSA-N 247.313 3.557 30 20 BHED Cc1csc(CSc2cccc(C#N)c2)n1 130850540 WKUJIKIGRYYJQI-UHFFFAOYSA-N 246.360 3.616 30 20 BHED Cc1cscc1N[C@H](C#N)C1CCCCC1 158407277 OGSMEVPTCLVJIZ-GFCCVEGCSA-N 234.368 3.941 30 20 BHED C=C(Cl)CN[C@@H]1CC[C@H](C)c2ccccc21 161745808 BDGXJPAYENSEFH-IINYFYTJSA-N 235.758 3.967 30 20 BHED C=C(C)CCNc1cc(OCC)ccc1OCC 164418129 SVCVZYAKJNRFDG-UHFFFAOYSA-N 249.354 3.862 30 20 BHED C=C(C)CN(C)[C@H](C)c1cccc(C)c1 181323520 KIZPFEQCYOUMCU-CYBMUJFWSA-N 203.329 3.564 30 20 BHED C[C@@H]1CCC[C@H](Nc2nccc(C#N)c2Cl)C1 235380690 WPZZETPEBPQDRO-KOLCDFICSA-N 249.745 3.597 30 20 BHED CCCCCCC[C@@H](C)N[C@H]1CC[C@H](O)CC1 252916941 WLKYRTPCILCBSC-RBSFLKMASA-N 241.419 3.629 30 20 BHED C[C@@H](CCC#N)N1CCC[C@@H]1c1ccsc1 297736738 CVRSJDODSDJRCA-WCQYABFASA-N 234.368 3.577 30 20 BHED CCCCCCCCN[C@@H]1CSC[C@@H]1C 308870582 SCCGOEVRUDNXDR-QWHCGFSZSA-N 229.433 3.688 30 20 BHED C[C@H]1CC(C)(C)C[C@H]1Nc1cccc(CC#N)c1 313484354 VGZOQHOESOVZAA-SWLSCSKDSA-N 242.366 3.989 30 20 BHED Cc1cnccc1SCc1ccc(C#N)cc1 334350932 VYEMLJSQLRRKRU-UHFFFAOYSA-N 240.331 3.554 30 20 BHED CC[C@@H]1C[C@]1(NCCCC#N)c1cccc(C)c1 337419340 QJXZUTHPETZCTD-GDBMZVCRSA-N 242.366 3.514 30 20 BHED C=CCN(CCC#N)C[C@H](C)C1CCCCC1 339209563 BPQYZFPEZLSVEJ-AWEZNQCLSA-N 234.387 3.604 30 20 BHED C=CCCC(=O)N1CCCc2ccc(C)c(C)c21 411092024 LUFBMDKIBZDDQX-UHFFFAOYSA-N 243.350 3.549 30 20 BHED C=C[C@H](C)N[C@H](C)Cc1ccc(F)cc1Cl 421830996 CGNKIIIBOLXBGY-VHSXEESVSA-N 241.737 3.574 30 20 BHED C=C(C)C(C)(C)C(=O)N1CCC[C@H]2CCCC[C@@H]21 425411168 YBOVSRHAMRPXBW-KGLIPLIRSA-N 249.398 3.770 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CCCC 425638525 ZCQTXCDOEMGSNN-GFCCVEGCSA-N 225.376 3.626 30 20 BHED CC1=CCC[C@@H](C)[C@H]1CN(CCC#N)CC1CC1 443421980 ZAWWNWZTOKVZHO-ZBFHGGJFSA-N 246.398 3.604 30 20 BHED C=C(CC)CNCC1(CCOC)CCCCC1 449732287 BBKWMCHUMJSDPW-UHFFFAOYSA-N 239.403 3.529 30 20 BHED C=CCCCC(=O)Nc1cncc2ccccc12 535456898 QLQFVJXYBMZODD-UHFFFAOYSA-N 240.306 3.530 30 20 BHED N#C[C@H]1CC[C@H](N2CCCC3(CCCCC3)C2)C1 566574996 VGQBOKITPNIUGT-GJZGRUSLSA-N 246.398 3.725 30 20 BHED C=CCCCCCN1CCC(F)(F)[C@H](C)C1 566741898 ABGDUYVYMSAZIY-GFCCVEGCSA-N 231.330 3.710 30 20 BHED C=CCSc1nc2cc(Cl)ccc2n1C 611746286 ZGKBSUYJBWQUKT-UHFFFAOYSA-N 238.743 3.505 30 20 BHED C=CCCN[C@H](CC)CCc1ccccc1 624012202 UDMBDEDDFOGVLL-OAHLLOKOSA-N 217.356 3.564 30 20 BHED C=CCC1(C(=O)N[C@H](C)CCC)CCCCC1 648116928 RWOPJLKJSPULQX-CYBMUJFWSA-N 237.387 3.818 30 20 BHED C=CCCOC(=O)C[C@@H](CC)c1ccc(C)cc1 739153108 ISZMUOXQNJIGOH-CQSZACIVSA-N 246.350 3.998 30 20 BHED CC(=NNc1ccc(F)cc1C)c1ccoc1 750939109 UIBNHAJITSKRBG-UHFFFAOYSA-N 232.258 3.563 30 20 BHED CCCCCCCCNC(=O)C(C)=C(C)C 755146076 CVZBJJQMIDFQAP-UHFFFAOYSA-N 225.376 3.819 30 20 BHED CC(C)=C(C)C(=O)OCCCCC(C)(C)C#N 768759107 XSUYGTHDEFWSRX-UHFFFAOYSA-N 237.343 3.606 30 20 BHED Clc1cscc1C=NOC1CCCC1 774597087 PCJWSBIVXIZTJR-UHFFFAOYSA-N 229.732 3.695 30 20 BHED C=CCN(Cc1ccc(Cl)cc1F)C(C)C 781884964 NWCZVNZJUDQBJX-UHFFFAOYSA-N 241.737 3.876 30 20 BHED CCC(=CC(=O)OCCCC(C)(C)C#N)CC 784117459 LIIPKKBJVRGFGP-UHFFFAOYSA-N 237.343 3.606 30 20 BHED C=CCCCCCCCNC(=O)CC(C)(F)F 810766755 NZENFSCWDWUOSL-UHFFFAOYSA-N 247.329 3.675 30 20 BHED Fc1ccc(C=NOC/C=C/Cl)cc1Cl 811671069 MXUHIIMPSFLFTB-UOZKWQDASA-N 248.084 3.582 30 20 BHED C#CCCc1noc(/C(F)=C/C2CCCCC2)n1 815673803 CBIDJVSRSMFNGN-BENRWUELSA-N 248.301 3.526 30 20 BHED C=CCC1(NC(=O)C(C)=C(C)C)CCCCC1 836956548 IICBZDVUIQIFOG-UHFFFAOYSA-N 235.371 3.738 30 20 BHED C#CCCCSCC1CCC(F)(F)CC1 842176162 HQGSSZUMHYAXMN-UHFFFAOYSA-N 232.339 3.959 30 20 BHED FC1(F)CCC(=NOC2CCCC2)CC1 842530252 JALGWQQOIMINJX-UHFFFAOYSA-N 217.259 3.511 30 20 BHED CCCON=C[C@@]1(C)C[C@@H]1c1ccccc1 842553795 IQWFIMFBYKFDDA-ZIAGYGMSSA-N 217.312 3.593 30 20 BHED CCC(C=NNc1cccc(C(=O)O)c1C)CC 844627542 NTQUQQMGZOTFRL-UHFFFAOYSA-N 248.326 3.527 30 20 BHED CCC[C@H](CC)Sc1ncc(C#N)cc1F 1642661467 UWIQSWJCMXJRLL-JTQLQIEISA-N 238.331 3.763 30 20 BHED C[C@@H]1CCCC[C@H]1CSc1ccc(C#N)cn1 1651757834 ZDZLXYUSDRBJGY-YPMHNXCESA-N 246.379 3.872 30 20 BHED C[C@@H](Nc1ccc(C#N)cc1)c1ccccc1F 19951100 CKYZYXKJUBEPIH-LLVKDONJSA-N 240.281 3.870 30 20 BHED CC[C@@H](c1ccccc1)[S@](=O)CCCCC#N 78742720 CWFHYSKOXFRVTK-YOEHRIQHSA-N 249.379 3.580 30 20 BHED C=C[C@H](C)N[C@@H](CC)c1cc(C)ccc1OC 91736065 IDBZIQACYBYSJU-JSGCOSHPSA-N 233.355 3.619 30 20 BHED CC[C@@H](C)CSc1snc(Cl)c1C#N 92677093 NZUCKVBKCRTBBZ-ZCFIWIBFSA-N 246.788 3.806 30 20 BHED C=CCCC(=O)N[C@H](c1ccccc1)C1CCC1 104424463 RIROXDJKOZRYGP-MRXNPFEDSA-N 243.350 3.610 30 20 BHED C=CCC[C@@H](C)NCc1ccc(F)c(Cl)c1 126813129 DXMJLYREFLGIQQ-SNVBAGLBSA-N 241.737 3.923 30 20 BHED C#CCCCNC1CC(C)(C)CC(C)(C)C1 161236891 VGUKVPBCXJXSRE-UHFFFAOYSA-N 221.388 3.594 30 20 BHED C=CC[C@@H](C)N[C@H](Cc1ccccc1)C1CC1 180946163 OCPBGIYPPDGXRB-CZUORRHYSA-N 229.367 3.562 30 20 BHED C=CC(C)(C)C(=O)N(C)c1ccccc1SC 297889054 XUNOFOXEVCNQQZ-UHFFFAOYSA-N 249.379 3.584 30 20 BHED C=C(C)CNc1ccc(C2CCC2)cc1 309080973 PMHNXAKULWNPNU-UHFFFAOYSA-N 201.313 3.942 30 20 BHED C#CCCN[C@H](C)c1csc2ccccc12 309564544 LWRBSQPOQWOOKL-LLVKDONJSA-N 229.348 3.575 30 20 BHED C=CCCCCN[C@@H]1CCc2ccc(OC)cc21 311016283 MYZLALRPJHIVBE-MRXNPFEDSA-N 245.366 3.628 30 20 BHED N#CC1(CN2CCCC[C@H]2c2ccco2)CCC1 336194508 KIQZPLHCZZRTOE-ZDUSSCGKSA-N 244.338 3.500 30 20 BHED Cc1cccc(C)c1[C@@H](C)NCCCCC#N 342479939 GNNUMYJLZPEEJS-CQSZACIVSA-N 230.355 3.648 30 20 BHED C[C@@H](SCCC#N)c1c(F)cccc1F 357402818 BGPQBLNIDZRFLJ-MRVPVSSYSA-N 227.279 3.673 30 20 BHED C=CCC[C@H](N[C@H](C)[C@H](C)OC)c1ccccc1 358343629 SRNLWPKFJUZVCC-YCPHGPKFSA-N 247.382 3.707 30 20 BHED CCCCCCC[C@H](C)NCC1=CCCOC1 379744491 QHASWZALWAVWQH-AWEZNQCLSA-N 239.403 3.672 30 20 BHED C=CCCCCCCN[C@@H](C)C(C)(C)OC 380558477 LMCUOJNTIVVNHV-ZDUSSCGKSA-N 227.392 3.526 30 20 BHED C=C(C)CCN[C@@](C)(CC)c1ccccc1 381367333 HFNSISUQFWMYSM-HNNXBMFYSA-N 217.356 3.868 30 20 BHED CC(C)(C)CCCNc1ccc(F)cc1C#N 382666612 IREJOAHBTBYPQV-UHFFFAOYSA-N 234.318 3.936 30 20 BHED C=C(C)CCNCc1ccccc1C1CC1 386736166 WWXYNQYQMYBOCT-UHFFFAOYSA-N 215.340 3.620 30 20 BHED C=CC[C@@H](CC)NC(=O)C1CCC(C)(C)CC1 410138747 HJXDEOHCGSCLKW-CYBMUJFWSA-N 237.387 3.674 30 20 BHED CC(C)CCCN(C)Cc1cc(C#N)ccc1F 426482246 DULHWCINGCBMDM-UHFFFAOYSA-N 248.345 3.565 30 20 BHED C=CCC1(NC[C@@H]2CCSC2)CCCCC1 449576759 UWZNBVUJZAJFRW-ZDUSSCGKSA-N 239.428 3.608 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[C@H]1CC 477114262 PAJLIEDATNPEBG-KFWWJZLASA-N 249.398 3.770 30 20 BHED C=C(CC)CSCCOc1ccccc1F 539092758 AAGMVJYDOMRIPS-UHFFFAOYSA-N 240.343 3.904 30 20 BHED Cc1cccc([C@H](C)NC[C@@H](C)CCC#N)c1 602686394 QQLZCEVALRLGRR-KBPBESRZSA-N 230.355 3.586 30 20 BHED C=CCC(C)(C)C(=O)Nc1cc(O)c(C)cc1C 645983176 PBRHSTPBNOEHPM-UHFFFAOYSA-N 247.338 3.550 30 20 BHED CC(Cc1ccsc1)=NNc1ccccc1F 729635465 VPZOHRXOMNTODR-UHFFFAOYSA-N 248.326 3.918 30 20 BHED CO[C@@]1(C)CC(=NNc2cccc(C)c2)C1(C)C 746559938 ZFYOYNPQJNBPHV-HNNXBMFYSA-N 246.354 3.598 30 20 BHED CC1(C)CCCC(=NNc2ccc(F)cn2)C1 767781597 ITKIRLKPYWMDPH-UHFFFAOYSA-N 235.306 3.589 30 20 BHED CCCc1cccc(C=NO[C@H]2CCCCO2)c1 774392240 DYOJZEFCPSXZQP-HNNXBMFYSA-N 247.338 3.516 30 20 BHED CCCCC[C@@H](NCC1(C#N)CC1)C(C)(C)C 776025295 RPWRLNGQSSYJCD-CYBMUJFWSA-N 236.403 3.875 30 20 BHED Cc1ccc(N(C)CCC(C)(C)C#N)cc1C 776579637 OIUWQNMAVNWGDV-UHFFFAOYSA-N 230.355 3.680 30 20 BHED C[C@H]1CCCC[C@H]1C=NOCCC(F)(F)F 777462826 NLXUSGAWAUUFRZ-UWVGGRQHSA-N 237.265 3.768 30 20 BHED C#CCCCCCC(=O)N(CC)C(CC)CC 809333708 FVOWCNNZBWNAGT-UHFFFAOYSA-N 237.387 3.607 30 20 BHED Cc1cc(F)ccc1NN=C1CC[C@H]1C1CC1 814885001 IMMSTXFFYNPQNM-LBPRGKRZSA-N 232.302 3.722 30 20 BHED CC[C@H](C)NN=C1CC[C@@H](c2ccccc2)C1 814913534 PFKIGVPIOJRMJS-GXTWGEPZSA-N 230.355 3.698 30 20 BHED CC(C)ON=C1CCC(C(F)(F)F)CC1 835000890 AEVCFWQISYYLBB-UHFFFAOYSA-N 223.238 3.520 30 20 BHED C=C[C@H](C)ON=C[C@H](CC)c1ccccc1 844619520 ALIXGCGMEBNBLO-STQMWFEESA-N 217.312 3.757 30 20 BHED C=CCCOC(=O)[C@@H](C)c1ccc(Cl)cc1 845332254 NNPWEXNZDCFWKA-JTQLQIEISA-N 238.714 3.563 30 20 BHED C=C[C@H](OC(=O)C1CC2(CC2)C1)c1ccccc1 851452346 RELBFNLVSHCALP-AWEZNQCLSA-N 242.318 3.647 30 20 BHED C=CCCNC(=O)c1ccc([C@@H](C)CC)cc1 855382501 YTUFWTAXXMQTDZ-LBPRGKRZSA-N 231.339 3.506 30 20 BHED C=C1CCC(C(=O)N2CCC[C@@H]2C2CCC2)CC1 896147215 WEQPDOADCSWCPO-OAHLLOKOSA-N 247.382 3.524 30 20 BHED C=CCCC(C)(C)NCc1ccccc1NC 902621716 PPSBDFMCWIKNRE-UHFFFAOYSA-N 232.371 3.563 30 20 BHED C=CCN(C(=O)/C=C(\C)c1ccccc1)C(C)C 917658615 CSICDYSSUNABQS-WYMLVPIESA-N 243.350 3.513 30 20 BHED CCC[C@H](Nc1ncccc1C#N)C1CCCC1 1186675293 FYKDVKQLAUDVIX-AWEZNQCLSA-N 243.354 3.724 30 20 BHED COc1ccc(C#N)cc1NCC1CCCCC1 1202715488 KKGRRBMTZQULOX-UHFFFAOYSA-N 244.338 3.559 30 20 BHED C=CCCN1C[C@H]2CCCC[C@]21c1ccccc1 1321425645 DWEMSQDYRJPKFJ-SJORKVTESA-N 241.378 3.964 30 20 BHED C=C(CC)C(=O)N1CCc2sccc2[C@@H]1CC 1348518194 WWYQRCAKFRNMBM-LBPRGKRZSA-N 249.379 3.550 30 20 BHED C[C@H](CC(C)(C)C)NCc1cccc(F)c1C#N 1647048710 NYAYFVXBZXBICQ-LLVKDONJSA-N 248.345 3.612 30 20 BHED CCc1ccc(-c2ccccc2C#N)cc1 1259242 NVBVKZMSPFUZRG-UHFFFAOYSA-N 207.276 3.788 30 20 BHED C=CCN[C@@H](CC(C)C)c1ccccc1 19875892 FYTPGKXOSSHWNK-AWEZNQCLSA-N 203.329 3.549 30 20 BHED COc1ccc(/C=C2\CCCC(C)(C)C2=O)cc1 20478307 VKBOTXQVHPUCGI-ACCUITESSA-N 244.334 3.858 30 20 BHED C=C(C)CNc1ccccc1OC(F)(F)F 50499375 JQVHMJGEVMBUEL-UHFFFAOYSA-N 231.217 3.573 30 20 BHED C=C(C)COc1cccc(NC(=O)CC(C)C)c1 66463618 JYUBZFXGOASBNJ-UHFFFAOYSA-N 247.338 3.626 30 20 BHED Cc1ccc(OCc2ccc(CC#N)cc2)cc1 78035646 FRYRKKMLTHYLCM-UHFFFAOYSA-N 237.302 3.640 30 20 BHED N#Cc1ccc(NCc2cccc3[nH]ccc23)cc1 80332886 JWJNYZIBPAGJLQ-UHFFFAOYSA-N 247.301 3.652 30 20 BHED C=C(CC)CN[C@H](C)c1ccc(C)cc1 85058041 PNLVRDSMINNENS-CYBMUJFWSA-N 203.329 3.612 30 20 BHED CC[C@H](C)CN(CC)Cc1ccc(C#N)cc1F 93250991 LPCBZQAHADJYSP-LBPRGKRZSA-N 248.345 3.565 30 20 BHED C=C(C)CN[C@@H](c1ccccc1)C(C)C 96034232 FFKMZVLNYSZJSC-CQSZACIVSA-N 203.329 3.549 30 20 BHED CCCC(CCC)[S@@](=O)CCC(C)(C)C#N 123436525 DUMIKGDXQROFTC-MRXNPFEDSA-N 243.416 3.644 30 20 BHED Cc1cc([C@H](C)NCC(C)(C)C#N)c(C)s1 129184714 ALZHEYNUGULNSU-JTQLQIEISA-N 236.384 3.565 30 20 BHED C=CC[C@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 152280169 XKPXGBLQQSLZKD-BYNSBNAKSA-N 249.398 3.674 30 20 BHED C=CCCCCCN(C)C(=O)c1ccccc1 156781588 PXAIWOXNRGLYRD-UHFFFAOYSA-N 231.339 3.505 30 20 BHED C#CCCCCC(=O)N1CCC[C@](C)(CCC)C1 180309274 JLOFLKIGMRAWBP-INIZCTEOSA-N 249.398 3.609 30 20 BHED C=C(C)CN[C@H](C)C(C)(C)c1ccccc1 181801315 WGBHOWIDKHWOBA-CYBMUJFWSA-N 217.356 3.518 30 20 BHED CC#CCCCC(=O)Nc1ccc(C)cc1Cl 184872099 HNOLNMZUOYKIEY-UHFFFAOYSA-N 249.741 3.781 30 20 BHED C=CCCC(=O)NCC[C@H](C)CC(C)(C)C 188868813 NDDPMMKSVMSFOB-LBPRGKRZSA-N 225.376 3.531 30 20 BHED Cc1ccc2c(c1)C(=O)/C(=C/c1cccs1)C2 255527713 QWCDAVCLFWXVEK-FMIVXFBMSA-N 240.327 3.879 30 20 BHED C#CC[C@H](N[C@@H](C)c1ccco1)c1ccccc1 271567470 VDFUGRWFKYRREZ-ZFWWWQNUSA-N 239.318 3.695 30 20 BHED CC#CCCCC(=O)Nc1c(C)cccc1Cl 274271531 BIKCUGYXYZGFTQ-UHFFFAOYSA-N 249.741 3.781 30 20 BHED N#C[C@H]1CC[C@H](SCc2ccccc2)C1 278495876 BWTYCFLADOSYSX-STQMWFEESA-N 217.337 3.612 30 20 BHED N#C[C@@H]1CC[C@@H](N2CCC[C@H]2c2ccsc2)C1 293489310 MXOJACIHZAGJLO-BNOWGMLFSA-N 246.379 3.577 30 20 BHED C#C[C@@H](CC)N[C@@H](C)CCCCCC=C 309069259 ATKGAGZEISTONS-KBPBESRZSA-N 207.361 3.513 30 20 BHED C=C(CC)CN[C@H](c1ccc(OC)cc1)C1CC1 313490392 VRPIOHLEQMBSIW-INIZCTEOSA-N 245.366 3.702 30 20 BHED CC[C@H](N[C@@H]1CCC[C@@H]1C)c1ccc(C#N)cc1 337566111 YHJKOPJZLWRHKQ-VBNZEHGJSA-N 242.366 3.788 30 20 BHED CC(C)(C)CCC(=O)Nc1ccccc1CC#N 344335402 JKBHZOLAMKROHV-UHFFFAOYSA-N 244.338 3.517 30 20 BHED C=C[C@H](C)NC(=O)Nc1ccc(C2CC2)c(C)c1 360822345 QCTPGSUHKOSUSG-NSHDSACASA-N 244.338 3.568 30 20 BHED C=CC(C)(C)CN[C@H]1CCCc2ccc(O)cc21 385067467 VQQQGDCNXOZRCV-HNNXBMFYSA-N 245.366 3.571 30 20 BHED CC[C@H](NCC(C)(C)CC#N)c1ccc(F)cc1 414168991 RGDZPHFXQOGUFV-AWEZNQCLSA-N 248.345 3.806 30 20 BHED C=C1CCN([C@@H]2CCc3c(Cl)cccc32)CC1 443622373 XBZGEHOYLCIERH-OAHLLOKOSA-N 247.769 3.979 30 20 BHED C[C@@H]1CC[C@@H](C)[C@H](NCC(C)(C)CCC#N)C1 449334742 XXKGINIBMHZVKG-MGPQQGTHSA-N 236.403 3.731 30 20 BHED CC#CCCN(C)[C@H](c1ccccc1)C(C)C 462315492 PYGRCNIDKYWOST-INIZCTEOSA-N 229.367 3.729 30 20 BHED CC#CCCCC(=O)NCC[C@H]1CCCC[C@@H]1C 466443091 AYLQAGQTFIDPQM-LSDHHAIUSA-N 249.398 3.513 30 20 BHED C=CCCN(C)C(=O)[C@@H](C)CC1CCCCC1 466644569 ZWTKCWJXFYYTGL-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C=C(C)CN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 472237880 HYHWCMMDGDJKSF-SWLSCSKDSA-N 233.330 3.785 30 20 BHED C=CCOCCCOc1ccc(C2CCC2)cc1 478790055 UNUWYSVBQMIHKV-UHFFFAOYSA-N 246.350 3.926 30 20 BHED C=C[C@H]1CCCCN1C/C=C\c1ccccc1 489433456 UJFYFCPSSGNPCK-CLOOOTJHSA-N 227.351 3.740 30 20 BHED C=C(C)CN(C)CCSC1CCCCC1 501051786 LHXNTLDJUWEUQF-UHFFFAOYSA-N 227.417 3.560 30 20 BHED C=C(CC)CNc1cccc2c1OCC[C@@H]2OC 567040660 GGXCUYUCDVJCIX-AWEZNQCLSA-N 247.338 3.535 30 20 BHED C=C(CC)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C 579676217 XVPKYNZYRBQDEW-LBPRGKRZSA-N 248.326 3.520 30 20 BHED C=CCCNCc1cc(C(F)(F)F)ccc1F 657582884 LKUAUFKQQQNGJF-UHFFFAOYSA-N 247.235 3.510 30 20 BHED C#CCCOC(=O)[C@@H](CC)CCCCCC 735208493 QSLUENQEKIONLD-ZDUSSCGKSA-N 224.344 3.550 30 20 BHED C#CCCCC(=O)N(CCCC)C1CCCCC1 757981217 LRVAWXSIFFERDZ-UHFFFAOYSA-N 249.398 3.751 30 20 BHED C(=NNC1CC1)c1cc(-c2ccccc2)cs1 758128600 ZVOJTYPDHCPOQR-UHFFFAOYSA-N 242.347 3.501 30 20 BHED CCCCCCCCN(C)CCc1ccccn1 767542199 YHUNIMWATOLOIS-UHFFFAOYSA-N 248.414 3.916 30 20 BHED Cc1cc(C)c(C=NNc2c(C)cccc2F)[nH]1 769840413 KFCVBKVRAPXZMN-UHFFFAOYSA-N 245.301 3.525 30 20 BHED CCCCCCCCCN1CCc2c[nH]nc2C1 792252743 CJENSQRSYJAUCW-UHFFFAOYSA-N 249.402 3.518 30 20 BHED C=CCCCCC[C@H](C)NC[C@@H]1CCCCO1 793522442 BOFDKGWNCBFVPD-GJZGRUSLSA-N 239.403 3.670 30 20 BHED CCSCC(=NOCC1CC1)c1ccccc1 814243636 HIFFMKVOZDMRQW-UHFFFAOYSA-N 249.379 3.570 30 20 BHED CCCCC(CC)=NN[C@H](C)c1ccncc1 819815513 SAOLAFUSLLFTQF-GFCCVEGCSA-N 233.359 3.688 30 20 BHED CC[C@H]1CCCC1=NNc1ccc(Cl)cn1 853437166 CWAUPMFTHUQDSC-VIFPVBQESA-N 237.734 3.713 30 20 BHED N#CCCCCSCC=C(Cl)Cl 853782453 BNERRLGILDGZDW-UHFFFAOYSA-N 224.156 3.732 30 20 BHED C=CCCCN[C@@H](CC)c1cccc(C#N)c1 902976329 OVCHKBMDOAYENT-HNNXBMFYSA-N 228.339 3.565 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)CC1=CCCCC1 1120733007 CWOYTNWOEFINJB-OAHLLOKOSA-N 247.382 3.834 30 20 BHED COc1ccc([C@H](C)S[C@@H](C#N)C2CC2)cc1 1165587739 XTQUFNQPPCATGY-HZMBPMFUSA-N 247.363 3.792 30 20 BHED CC[C@@H]1CCCC[C@H]1CNc1cccc(C#N)n1 1307128742 FGIAWMKDCIULSV-OLZOCXBDSA-N 243.354 3.582 30 20 BHED COc1cccc2cc(C=NOC(C)(C)C)oc12 1319584002 RWVUVHYPWOSGSW-UHFFFAOYSA-N 247.294 3.590 30 20 BHED CC[C@H](NC/C=C/C1CC1)c1ccc(C#N)cc1 1324239920 MRMPUWZMMZRIKY-CWDCEQMOSA-N 240.350 3.565 30 20 BHED C=C(Cl)CN(CC)c1ccc(F)c(F)c1 1642229594 REQBRMFSGGVJKM-UHFFFAOYSA-N 231.673 3.544 30 20 BHED C[C@@H]1CCN(c2cccc(F)c2C#N)CC1(C)C 1642552079 WZESASSOVJBOSS-LLVKDONJSA-N 246.329 3.570 30 20 BHED CN(CCC1(C#N)CCCCC1)C[C@H]1CC1(C)C 1655184362 NUXYVQDNAZBAPZ-CQSZACIVSA-N 248.414 3.828 30 20 BHED CC[C@@H](C)C[C@@H](CC)NCc1ccc(C#N)cc1 37748311 AGVXMOANDZPTQV-CZUORRHYSA-N 244.382 3.863 30 20 BHED Cc1ccc(F)c(OCc2ccccc2C#N)c1 85555780 FAINTDZFHNZBJU-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=CC[C@H](C)Nc1nc2ccccc2s1 124042702 KZGVZOURSWCPRM-VIFPVBQESA-N 218.325 3.673 30 20 BHED C[C@@H](N[C@@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 124976262 YTGRFKFJOYHXKC-IUODEOHRSA-N 242.366 3.788 30 20 BHED CC[C@@H](C#N)SCCCc1ccccc1 127728079 HBJFSAHXKZGTNE-ZDUSSCGKSA-N 219.353 3.655 30 20 BHED CCCN(CCC(C)(C)C#N)Cc1ccccc1 157362783 GXBIEJPODTUKQW-UHFFFAOYSA-N 244.382 3.838 30 20 BHED C=C(C)CNCc1cc(Cl)cc(Cl)c1 160299914 LNLXDGDVPYDBIS-UHFFFAOYSA-N 230.138 3.659 30 20 BHED C=CCCCC(=O)Nc1ccc(F)c(Cl)c1 175168858 VWHPFUYLJMLLEO-UHFFFAOYSA-N 241.693 3.774 30 20 BHED C=C[C@@](C)(CC)C(=O)NCc1ccc(C)cc1C 190138184 BSVPITRLZDJWIG-INIZCTEOSA-N 245.366 3.522 30 20 BHED C=C1CCN([C@H](C)c2nc3ccccc3o2)CC1 272464380 DTUUKLDOSGRNLG-GFCCVEGCSA-N 242.322 3.541 30 20 BHED C=C(C)CCNc1ccc(Cl)c([N+](=O)[O-])c1 309543450 GXKMQXKQMWULND-UHFFFAOYSA-N 240.690 3.626 30 20 BHED CC(C)(CCC#N)CN1CC[C@H](C(C)(C)C)C1 346359321 HVTLEECCJYFHPC-ZDUSSCGKSA-N 236.403 3.684 30 20 BHED C=CCC[C@H](C)NCc1cc(C)cs1 382208614 VMDJFLWNGMIZRQ-NSHDSACASA-N 209.358 3.501 30 20 BHED C=CC[C@H](CC)N[C@@H](C)Cc1ccccc1OC 393766546 CHDCDLSLNIBNDG-ZFWWWQNUSA-N 247.382 3.571 30 20 BHED CC(C)C[C@H](C)CN1CCC(CCC#N)CC1 399746535 MWZDTTARSKLWJW-AWEZNQCLSA-N 236.403 3.684 30 20 BHED CC[C@@H](NCC1(CC#N)CC1)c1ccc(C)cc1 430756915 VBHJQBOEDDFKOB-OAHLLOKOSA-N 242.366 3.730 30 20 BHED C=CCCC(=O)NCC1(CC(C)C)CCCC1 446294866 FYFAEVYKNPPXPB-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCCC[C@@H](C)NC(=O)C1(CC=C)CCCC1 450429453 ZUBJKPKJBAUUMJ-CQSZACIVSA-N 249.398 3.984 30 20 BHED C=C(C)CN(C)[C@H]1CCCc2ccc(F)cc21 481278151 BQBDTIUQBKRZHZ-HNNXBMFYSA-N 233.330 3.711 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H](C)Cc1cccc(O)c1 482505619 YDXZKPOZNPUFCW-IHRRRGAJSA-N 247.382 3.514 30 20 BHED C=CC[C@H](C)NC(=O)Nc1ccc(/C=C\C)cc1 497365163 IBNXVVWSCVMPIF-HWPRWLFBSA-N 244.338 3.806 30 20 BHED C=CCCc1csc(Cc2cccc(F)c2)n1 502773061 ITJFDXRLNPBKEQ-UHFFFAOYSA-N 247.338 3.992 30 20 BHED CC(C)=CCSc1cccc(C#N)c1 579622836 IEGANPNZJRGTBN-UHFFFAOYSA-N 203.310 3.617 30 20 BHED C=CC[C@H]1CCCN(C(=O)CC(CC)CC)C1 617782473 GHAMRLKYFPDDNW-AWEZNQCLSA-N 237.387 3.627 30 20 BHED C=C(C)CCN[C@H](CC)Cc1cccs1 648727786 ODHDEHQXRQMNBW-GFCCVEGCSA-N 223.385 3.625 30 20 BHED C=CCCN[C@@H]1CC=C(c2ccc(F)cc2)CC1 658116216 ZRNYUJJCPHWFDU-MRXNPFEDSA-N 245.341 3.927 30 20 BHED C=CCN(C(=O)C[C@H](C)CC(C)(C)C)C1CC1 678499334 AFWXAJVCACAVKJ-LBPRGKRZSA-N 237.387 3.626 30 20 BHED C=CCCOC(=O)Cc1cccc2ccccc12 729073227 HNDBVYBOAJLCBA-UHFFFAOYSA-N 240.302 3.502 30 20 BHED Cc1ccc(C)c(NN=C2CCC[C@@H]2C)c1 729143461 IJODYCOWUBQQGA-NSHDSACASA-N 216.328 3.891 30 20 BHED CC(C)=CCC[C@@H](C)CC=NNc1cccnn1 735977001 ORKPSWSJPXXLSG-CYBMUJFWSA-N 246.358 3.647 30 20 BHED CCCCCCCCC(=O)N[C@H](C)CSC 736051603 VJHVNYWTNBJBBE-GFCCVEGCSA-N 245.432 3.605 30 20 BHED C#CC[C@H](NCc1ccsc1)c1ccccc1 756996561 GZPWTPFCSJVCKW-HNNXBMFYSA-N 241.359 3.602 30 20 BHED CC[C@H]1CCCC1=NNc1ccc(Cl)nc1 758379590 XXGVSBILXYRKMK-VIFPVBQESA-N 237.734 3.713 30 20 BHED C#CCCCN(Cc1ccco1)c1ccccc1 766921742 YDMWPHPHTXIKNA-UHFFFAOYSA-N 239.318 3.700 30 20 BHED C#CCCCCN[C@H]1c2cc(C)ccc2C[C@H]1C 779127731 JXZAYTOHSAGNAM-RHSMWYFYSA-N 241.378 3.621 30 20 BHED CC(C)(C)CCNN=Cc1ccccc1C1CC1 782903115 PZPRDBMOKWVMMB-UHFFFAOYSA-N 244.382 3.924 30 20 BHED CC[C@H]1CCCC1=NN[C@@H](C)C(C)(C)C 793112055 ODCGUMOTOKHIHE-QWRGUYRKSA-N 210.365 3.577 30 20 BHED C[C@@H](C#N)OCCSC1CCC(C)(C)CC1 801658696 GQWPBFQBPVEGHQ-NSHDSACASA-N 241.400 3.617 30 20 BHED CCC(=NOC/C=C\Cl)c1cccc(F)c1 811670234 ZZUWPEAGEXVXHS-OIUWJUBLSA-N 241.693 3.709 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@H](CC)CCC)C1 824437898 DRSSHCQJSXRCTF-ZIAGYGMSSA-N 237.387 3.627 30 20 BHED CSCC1CCC(=NOC/C=C/Cl)CC1 834978687 IHDMDHKKLJDYAA-FYCOCNIFSA-N 247.791 3.665 30 20 BHED C[C@H]1CC=C(C(=O)O[C@H](C)CC(C)(C)C#N)CC1 851206586 VAXIEWOBZAONAJ-NWDGAFQWSA-N 249.354 3.604 30 20 BHED C=C(CN[C@H](C)CC(C)(C)C#N)c1ccccc1 924841928 OMLZKZOBMCSHSU-CQSZACIVSA-N 242.366 3.618 30 20 BHED C=C(C)CN1C[C@H]2CCCC[C@]21c1ccccc1 1319810016 XQJYSOHQOHSWBW-SJORKVTESA-N 241.378 3.964 30 20 BHED N#Cc1c(-c2cccs2)[nH]c2ccccc12 11950547 QSZMXVXZRWFHOV-UHFFFAOYSA-N 224.288 3.768 30 20 BHED CC(C)CCCN[C@@H](C)c1ccc(C#N)cc1 38093314 HBJRIFKDOVLINR-ZDUSSCGKSA-N 230.355 3.645 30 20 BHED C=C(C)CNc1ccccc1C(C)(C)C 70199602 SEPKGFDKEXWXGL-UHFFFAOYSA-N 203.329 3.972 30 20 BHED N#CCC1(CSc2nc3ccccc3o2)CC1 88259683 UXCWJWWDTJMMOW-UHFFFAOYSA-N 244.319 3.614 30 20 BHED C[C@@H]1CCC[C@@H](NCc2cc(C#N)cs2)[C@@H]1C 93492019 VTIXWKTXODRFRI-JTNHKYCSSA-N 248.395 3.534 30 20 BHED C#CCCCCNCc1ccc(Cl)c(C)c1 134655783 JGVZOCJDLYCKQW-UHFFFAOYSA-N 235.758 3.542 30 20 BHED C=C(C)CCN[C@@H](C)CCc1ccccc1 168974810 NHVDXKBEMZKABM-AWEZNQCLSA-N 217.356 3.564 30 20 BHED C#CCCCN[C@H](C)c1ccc2ccccc2c1 174274261 XQFJOTIZJUPPKO-CQSZACIVSA-N 237.346 3.904 30 20 BHED C=CCC[C@@H](Nc1cccc(COC)c1)C1CC1 179741921 LVIWESZKUPURDE-MRXNPFEDSA-N 245.366 3.990 30 20 BHED C=CCC[C@H](C(=O)N(C)C(C)C)c1ccccc1 186415346 NIBRXFCJIHSWBV-HNNXBMFYSA-N 245.366 3.603 30 20 BHED C=CCCC[C@@H](C)NC(=O)C1=CCCCCC1 186919106 ZDGLBAVUEDRQDC-CYBMUJFWSA-N 235.371 3.738 30 20 BHED C=CCC1(C(=O)N2CCC[C@H](CC)CC2)CCC1 191885444 QIXTYQHFNVIWKT-AWEZNQCLSA-N 249.398 3.772 30 20 BHED N#Cc1cccnc1/C=C\c1ccccc1Cl 204120828 CADVICGKCGQZSG-FPLPWBNLSA-N 240.693 3.777 30 20 BHED CC[C@H](C)C[S@](=O)CCCCC(C)(C)C#N 234014046 JLAQLEUYDIZTOV-BLLLJJGKSA-N 243.416 3.501 30 20 BHED N#Cc1ccc(C(=O)/C=C\c2ccsc2)s1 255398448 XHAWMXITQACMRH-IWQZZHSRSA-N 245.328 3.577 30 20 BHED CC(C)(C)c1ccc(NC(=O)CCCC#N)cc1 290964374 NVTWOGGCROAOFT-UHFFFAOYSA-N 244.338 3.616 30 20 BHED C=CCC[C@H](N[C@@H]1CC[C@@H](C)C1)C1CC1 309151381 WLPREBYRMWUUCH-BNOWGMLFSA-N 207.361 3.509 30 20 BHED C=CCCCCCNc1cccc(CC#N)c1 313481517 RBACFIKPCIOCOZ-UHFFFAOYSA-N 228.339 3.911 30 20 BHED C[C@H]1[C@H](C)CCC[C@H]1Nc1cccc(CC#N)c1 313486940 YWTNWBUUABQXHJ-DVOMOZLQSA-N 242.366 3.989 30 20 BHED C=CC[C@@H](C)NCc1ccc(SC)s1 336644920 AVNOJTKYBBVXFM-SECBINFHSA-N 227.398 3.524 30 20 BHED CCN(CCC1(C#N)CCCCC1)C(C)C 411180602 RUZFLCVLOLVSMW-UHFFFAOYSA-N 222.376 3.581 30 20 BHED C=CCN(CC1CCCCC1)[C@@H]1CC[C@@H](C#N)C1 411254277 FPUMONACFQRZNY-HZPDHXFCSA-N 246.398 3.747 30 20 BHED Cc1ccc(Cl)cc1OCC1(C#N)CCC1 418903098 NEXBXVYYAGHHKO-UHFFFAOYSA-N 235.714 3.721 30 20 BHED C=CC[C@@H](C)[C@H](C)Nc1cccc(CC#N)c1 449704080 VGZCSJIUGXUDJU-OLZOCXBDSA-N 228.339 3.765 30 20 BHED CC(C)CN(CC1(C#N)CCC1)C1CCCC1 450313887 SACWAASIKMUROB-UHFFFAOYSA-N 234.387 3.581 30 20 BHED C=C(C)CCNC(=O)C1=C(C)CC(C)(C)CC1 452739228 LNEPLZYFRVNFBV-UHFFFAOYSA-N 235.371 3.595 30 20 BHED C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@@]1(CC)C(C)C 457268548 GQCFHGKTUAULRC-GUTXKFCHSA-N 237.387 3.530 30 20 BHED C=CC[C@H](CC)NC[C@H]1C[C@H]1c1ccccc1 466406448 WYBLDJCIVIBFHO-PMPSAXMXSA-N 229.367 3.734 30 20 BHED C=C(C)CSCc1ccc(C#N)c(C)c1 485581571 PYKGXMVAMHZZBS-UHFFFAOYSA-N 217.337 3.676 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H](CC)CC1 488835025 HWKIDMGLACUNLZ-RBSFLKMASA-N 249.398 3.770 30 20 BHED C=C[C@@H]1CCCCN1C(=O)CC1CCCCCC1 488880339 QJPYKIVLQRCZBE-OAHLLOKOSA-N 249.398 3.914 30 20 BHED C=C(C)CCc1noc(-c2ccc(F)c(C)c2)n1 508637493 OKBLJPIOJYNMIV-UHFFFAOYSA-N 246.285 3.693 30 20 BHED CCCC1CCC(CN(C)C[C@@H](C)C#N)CC1 538306641 ZXDNJEYSSORYOJ-NFOMZHRRSA-N 236.403 3.684 30 20 BHED C=C(CC)CNc1cccc2c1OCC[C@H]2OC 567040661 GGXCUYUCDVJCIX-CQSZACIVSA-N 247.338 3.535 30 20 BHED C=CCC(CC=C)C(=O)N(C)[C@H](C)CCCC 570868431 ZTUFPEQRMZAYAJ-CYBMUJFWSA-N 237.387 3.792 30 20 BHED C[C@H](CCC#N)N1CC[C@@H](C2CCCCC2)C1 595738792 NVLLAKFSAHZYSW-UKRRQHHQSA-N 234.387 3.581 30 20 BHED C[C@H](C#N)N[C@H](CC1CCCCC1)C(C)(C)C 609677359 YXBQDQDJKUIZJL-TZMCWYRMSA-N 236.403 3.873 30 20 BHED N#Cc1cccnc1Oc1cc(F)cc(Cl)c1 703727905 OAXRJOYINSFTKQ-UHFFFAOYSA-N 248.644 3.538 30 20 BHED CCCCC(COC)=NNc1ccccc1CC 737429506 WLAFQAONBLCLEE-UHFFFAOYSA-N 248.370 3.854 30 20 BHED Cc1ccc(C(=O)/C=C\c2ccsc2)c(O)c1 757475255 IPHBUHLJMMSEQV-HYXAFXHYSA-N 244.315 3.658 30 20 BHED CCCC(CCC)=NOCC(F)(F)F 764846953 TWYJLNTXEDWPHQ-UHFFFAOYSA-N 211.227 3.522 30 20 BHED C#CCCCN1CC[C@H](c2ccccc2)[C@H](C)C1 766902552 KKYKWRIWQFWKLJ-WBVHZDCISA-N 241.378 3.525 30 20 BHED CC#CCCCC(=O)OCc1c(C)cccc1C 767674588 XYYRTOICTAYDPC-UHFFFAOYSA-N 244.334 3.540 30 20 BHED C#CC[C@H](N[C@H](C)CCC1CC1)c1ccccc1 769415155 WBGBGZBMCIHUDC-PBHICJAKSA-N 241.378 3.919 30 20 BHED CC(=NN[C@@H]1CCCC1(C)C)c1cccs1 782303792 ZRZHBPCATRINQN-GFCCVEGCSA-N 236.384 3.640 30 20 BHED C#CC[C@H](N[C@H]1CC=C(C)CC1)c1ccccc1 788691067 XSBOYXWRHDHUSI-IRXDYDNUSA-N 239.362 3.839 30 20 BHED CC[C@@H]1CC[C@H](C)CC1=NOC1CCC1 812235338 SLWZYGQFKHWMGD-WDEREUQCSA-N 209.333 3.758 30 20 BHED CC1(C)CCC[C@@H](C=NOCC2CC2)C1 814241463 PLINEZXZHOYUMD-GFCCVEGCSA-N 209.333 3.615 30 20 BHED C[C@@H]1CC=C(C(=O)OCCCC(C)(C)C#N)CC1 838349314 OHXNRSACBUDPRW-GFCCVEGCSA-N 249.354 3.606 30 20 BHED C=CC[C@H]1CCCCC1=NNC1CCCC1 853302244 WIQCZQRKMVRCOT-LBPRGKRZSA-N 220.360 3.641 30 20 BHED C(=NOCC1CCC1)[C@H]1C[C@@H]1c1ccccc1 853439447 JNQYSSQWPIUVDG-HUUCEWRRSA-N 229.323 3.593 30 20 BHED CC(C)(CC#N)CNc1ccc(C#N)cc1Cl 894158532 FVXFZYWEKIQACM-UHFFFAOYSA-N 247.729 3.563 30 20 BHED CCCCCC1=CCCC1=NNc1ncccn1 912974266 PXPUUOSBJNYQKM-UHFFFAOYSA-N 244.342 3.545 30 20 BHED c1ccc(NN=C2CC[C@@H]3CCCC[C@H]3C2)nc1 916274157 ZWWDKRWBBAERAV-STQMWFEESA-N 243.354 3.840 30 20 BHED CCCCCCCCCN(C)C(=O)NCCC 919653482 CHCCHDYYOGQZIO-UHFFFAOYSA-N 242.407 3.788 30 20 BHED CC(CCc1ccc(F)cc1)=NOC(C)(C)C 1324557849 HOOQZVCFQKHPHB-UHFFFAOYSA-N 237.318 3.949 30 20 BHED C=C(C)CCC(=O)N[C@H](C)c1ccc(C)cc1 1336945004 GZRMTGYJVYSZCF-CYBMUJFWSA-N 231.339 3.529 30 20 BHED C[C@H](c1cc2ccccc2o1)N(C)CCCC#N 44089879 PYBHJAHQTPXTNA-GFCCVEGCSA-N 242.322 3.729 30 20 BHED CCCCCCC[C@@H](C)NC1CCOCC1 59373108 MNLCVCPXRULYED-CYBMUJFWSA-N 227.392 3.504 30 20 BHED C=CCCCN(C)Cc1nc2ccccc2s1 117871363 ANWUYBPLOJLWLD-UHFFFAOYSA-N 246.379 3.694 30 20 BHED CC[C@H](NCCCC#N)c1cccc(Cl)c1 132056445 JXEMDJQRPCQMIP-ZDUSSCGKSA-N 236.746 3.684 30 20 BHED C[C@@H](c1ccccc1)N(C)CCC(C)(C)C#N 157420343 RJVOOVWVAKWJSQ-ZDUSSCGKSA-N 230.355 3.619 30 20 BHED C=CCCCC(=O)N1CCCC2(CCCCC2)C1 175630879 JEGAMPDEOKFYHJ-UHFFFAOYSA-N 249.398 3.916 30 20 BHED N#CCCCCSC1=Nc2ccccc2C1 182881907 MIHALHURFVRRGF-UHFFFAOYSA-N 230.336 3.700 30 20 BHED C=CCCCN1C[C@H]2CCC(=O)c3cccc1c32 184779004 QSFMIVFLXRJYMU-GFCCVEGCSA-N 241.334 3.533 30 20 BHED CCSCCSCCCC(C)(C)C#N 185570878 UUKLQHFPCKGUJZ-UHFFFAOYSA-N 231.430 3.803 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@]1(C)C(C)C 186919014 VTQIWDLGALMODP-KCQAQPDRSA-N 237.387 3.530 30 20 BHED CC[C@H](C)CN(CC)Cc1cccc(C#N)c1F 223556322 QJUMEVAXHXSCKE-LBPRGKRZSA-N 248.345 3.565 30 20 BHED C#CCCCCN[C@@H](C)c1cc(C)ccc1C 229739785 OWFMUZWHDVFRMP-HNNXBMFYSA-N 229.367 3.758 30 20 BHED CCCc1ccc(CN(C)CC(C)(C)C#N)cc1 258957751 SJBMMUMBAAIFNC-UHFFFAOYSA-N 244.382 3.621 30 20 BHED N#Cc1c(F)cccc1SCCC(F)(F)F 280305391 RRQFQGMKBJXRQW-UHFFFAOYSA-N 249.232 3.742 30 20 BHED CC(C)C[C@H](C)CNc1cccc(OCC#N)c1 302456550 XYUSLXSJPDTVMT-ZDUSSCGKSA-N 246.354 3.683 30 20 BHED C#CCCNc1cc(Cl)c(Cl)cc1F 306631270 NBYQDOKZWQRLCO-UHFFFAOYSA-N 232.085 3.568 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cccc(C2CC2)c1 340263462 WEPHGHYLWOPUFU-VXGBXAGGSA-N 215.340 3.789 30 20 BHED C=C[C@@H](C)NC(=O)c1csc2cc(C)ccc12 358894110 BBUSBJLANZRBKJ-SNVBAGLBSA-N 245.347 3.514 30 20 BHED COCC[C@H](C)SCc1ccc(C#N)c(C)c1 362472653 KMIHSVWJHBHECL-LBPRGKRZSA-N 249.379 3.525 30 20 BHED C=CC[C@@H](CC)NCc1cc(Cl)ccc1F 381344400 YKWFJMWCPNMQQO-GFCCVEGCSA-N 241.737 3.923 30 20 BHED C=CCCCCCCN[C@@H](C)c1cnn(CC)c1 385170750 OOPVEJTVJOQGDT-AWEZNQCLSA-N 249.402 3.690 30 20 BHED C=C(C)CCN[C@@H]1CCC[C@H](C2CC2)C1 386901008 OTCSFZYVCYAUPQ-UONOGXRCSA-N 207.361 3.511 30 20 BHED C[C@@H](CCC1CC1)N[C@@H](C)c1ccc(C#N)cc1 398108823 XEFGPFBSOMVWLU-STQMWFEESA-N 242.366 3.788 30 20 BHED C[C@@H]1CCCC[C@H]1CNC1CCC(C)(C#N)CC1 449096725 JTQWDGMOGWVQHJ-QVOMUQBLSA-N 248.414 3.875 30 20 BHED CCC[C@@H](C)[C@@H]1CCCN1CC1(C#N)CCC1 450497315 FFXQFTFEIHVMLS-KGLIPLIRSA-N 234.387 3.581 30 20 BHED C=CCC(C)(C)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 459979848 YSYDFBPBVDKIEM-CHWSQXEVSA-N 237.387 3.626 30 20 BHED CCC(C)(C)N(C)CC#Cc1cccc(Cl)c1 471021098 IIMDMCUSNKILQI-UHFFFAOYSA-N 249.785 3.812 30 20 BHED C=CCC(C)(C)CNC(=O)C[C@H]1CCC[C@H]1C 489964137 GRUHLYJKUMLTDA-CHWSQXEVSA-N 237.387 3.531 30 20 BHED C=C(C)CN1CCC[C@@H]1/C=C/c1ccccc1 505833660 QKGKFXXRVUBUHZ-SIFUEBAJSA-N 227.351 3.740 30 20 BHED C=CCN(C(=O)C1(CC(C)C)CCCC1)C1CC1 543454008 BWEBSVHARAABOL-UHFFFAOYSA-N 249.398 3.770 30 20 BHED CC1CCC(CSCC2(C#N)CC2)CC1 543665670 BXAXVFWJNGNECY-UHFFFAOYSA-N 223.385 3.850 30 20 BHED CSCc1ccc(NC[C@H](C)CCC#N)cc1 602489896 FOGAXOYQAPFRJL-GFCCVEGCSA-N 248.395 3.901 30 20 BHED CCCC[C@@H](CCC)NC[C@@H](C)CCC#N 602564731 CHCLXOXMHUXFBQ-UONOGXRCSA-N 224.392 3.875 30 20 BHED CC(=NNc1nc2ccccc2s1)C1CCC1 747624072 JEAMYEKIRICVHG-UHFFFAOYSA-N 245.351 3.884 30 20 BHED C=CC[C@@H](NC[C@H]1CC=CCC1)c1ccncc1 752079684 KGDNAIROXYWLSY-GOEBONIOSA-N 242.366 3.645 30 20 BHED CCCCCCCC(=O)OCc1ccc(C)cn1 772263989 TUYAGPPVYXPDFF-UHFFFAOYSA-N 249.354 3.794 30 20 BHED C=C(CC)COC(=O)c1ccc(F)cc1Cl 773430217 IYFGMGVACNGBKY-UHFFFAOYSA-N 242.677 3.602 30 20 BHED C#CCCCCC(=O)N1CCC[C@@H]1CCCCC 773471523 DMKZMAYSIGHEKJ-HNNXBMFYSA-N 249.398 3.751 30 20 BHED CC[C@H]1CCCC1=NNc1ccc2[nH]ncc2c1 779820356 HVXABOLJRNOZLW-JTQLQIEISA-N 242.326 3.541 30 20 BHED C#C[C@@H](CCC)NC(=O)[C@@H](CC)CCCCC 791197443 NLSYUJWYJVWCHP-KBPBESRZSA-N 237.387 3.511 30 20 BHED C#Cc1cccc(NC(=O)[C@](C)(CC)CCC)c1 792914358 CSBKIRPZQPUWAN-MRXNPFEDSA-N 243.350 3.823 30 20 BHED CC(C)CON=CCc1cccc(Cl)c1 794921639 BYKUGMLYNCUFSO-UHFFFAOYSA-N 225.719 3.541 30 20 BHED C#C[C@@H](CCC)NC(=O)CCCCC(C)(C)C 804618256 PATRUEQZYUEPGT-ZDUSSCGKSA-N 237.387 3.511 30 20 BHED C=CCN(C(=O)[C@@H]1CCC[C@@H]1CCC)C(C)C 823096714 JBJWEVFHDLILLH-UONOGXRCSA-N 237.387 3.626 30 20 BHED C=CCC(C)(C)C(=O)N(C)c1ccc(C)cc1F 841326868 TXTHTNIIWCCBPF-UHFFFAOYSA-N 249.329 3.699 30 20 BHED CCCON=C[C@@H](C)CCc1ccccc1 842556231 JFBMKBVDIIOWSC-ZDUSSCGKSA-N 219.328 3.668 30 20 BHED Clc1ccc(NN=C2CCCC23CCC3)nc1 853436578 ZCTHZGIDPARCDE-UHFFFAOYSA-N 249.745 3.857 30 20 BHED C[C@@H]1C[C@H]1C=NNc1cccc(F)c1Cl 863158808 RQQSUZUHOIXVFB-SFYZADRCSA-N 226.682 3.533 30 20 BHED CC(=NNc1c(C)cc(C)cc1C)c1ccc[nH]1 916339262 IBHDSQYWWIHHKT-UHFFFAOYSA-N 241.338 3.776 30 20 BHED C[C@H]1CCC[C@@H](Nc2cccc(F)c2C#N)C1 35237047 CQPCORDZCXSWJQ-WDEREUQCSA-N 232.302 3.688 30 20 BHED C=C(Cl)CSc1ccc(OC)cc1 39191711 PXPQXVXTLCUCSP-UHFFFAOYSA-N 214.717 3.540 30 20 BHED C=C(C)CN1CCCCC[C@H]1c1ccco1 76804364 ZWQCLUSCUGIZSN-ZDUSSCGKSA-N 219.328 3.773 30 20 BHED Cc1csc(SCCCC(C)(C)C#N)n1 87609113 MIQGRMYSQXMMDQ-UHFFFAOYSA-N 240.397 3.874 30 20 BHED CC[C@H]1c2ccccc2CCN1CCCCC#N 114493003 CMCHKQBGPIXGQZ-INIZCTEOSA-N 242.366 3.690 30 20 BHED CCCCCCCCN[C@H]1CCO[C@@H](C)C1 126796009 VOJLCXGMIIPACQ-KBPBESRZSA-N 227.392 3.504 30 20 BHED C=CCN[C@H](C)c1cc2ccccc2s1 163661183 MUBUVNJOSXYBMS-SNVBAGLBSA-N 217.337 3.738 30 20 BHED C=C(Cl)CN[C@@H]1CCC[C@@H](C(C)C)C1 230997903 DHSPUSMNFAIUGD-VXGBXAGGSA-N 215.768 3.543 30 20 BHED C#C[C@H](CCC)N[C@@H](CC)c1ccc(F)cc1 233358621 WGIVIGWYNWUJLV-CABCVRRESA-N 233.330 3.668 30 20 BHED N#CCCC1CCN(CCC2CCCCC2)CC1 259928156 HOLANZKEKCKDDO-UHFFFAOYSA-N 248.414 3.973 30 20 BHED N#Cc1nc(SC2CCCC2)ccc1Cl 301533369 LUOYWHZIRDMJGH-UHFFFAOYSA-N 238.743 3.641 30 20 BHED C=CCC(C)(C)CNc1nc(C)c(C)s1 308897677 ASFFDORUNWVZCX-UHFFFAOYSA-N 224.373 3.774 30 20 BHED CC[C@H](CC#N)N[C@@H]1CCCCC12CCCC2 310235130 ICBHSDMZVKMRKT-ZIAGYGMSSA-N 234.387 3.771 30 20 BHED Cc1cccnc1SCc1cccc(C#N)c1 344586587 PUTYUSSOLRJMHO-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=CCOc1cccc(CN(CC)C2CCC2)c1 353866605 IWOOIOOOWSFPBY-UHFFFAOYSA-N 245.366 3.626 30 20 BHED Cc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1Cl 381540609 HRQXJNFEIRTDAN-GHMZBOCLSA-N 234.730 3.753 30 20 BHED C=C(C)CCNC1CCC(C(F)(F)F)CC1 386701815 NDTWJKDZUANEHH-UHFFFAOYSA-N 235.293 3.663 30 20 BHED Cc1ccsc1[C@@H](C)NCC(C)(C)CC#N 414160132 CPDARUHQYMCWFT-LLVKDONJSA-N 236.384 3.647 30 20 BHED C[C@H]1CC[C@@H](C)C[C@@H]1NCC(C)(C)CCC#N 449334743 XXKGINIBMHZVKG-RDBSUJKOSA-N 236.403 3.731 30 20 BHED CC(C)[C@@H]1CCC[C@H]1Nc1cccc(CC#N)c1 449703312 UJUOBNUEAYKNOA-JKSUJKDBSA-N 242.366 3.989 30 20 BHED C=CC(C)(C)CNC(=O)C[C@H]1CCC[C@@H](C)C1 452774505 FFZVBVAOFAXOAP-OLZOCXBDSA-N 237.387 3.531 30 20 BHED C=CC[C@H](C)N[C@@H](C)C(C)(C)c1ccccc1 537969825 UCCVJBWILGUJSS-KBPBESRZSA-N 231.383 3.907 30 20 BHED CC[C@@H](c1ccccc1)N1CCC[C@@H](CC#N)C1 595613320 AWZUPUGWBAOCDF-HOCLYGCPSA-N 242.366 3.763 30 20 BHED C=CCCCN(C)[C@H]1CCc2ccccc21 605149807 VNJVMUKFVFMTCO-HNNXBMFYSA-N 215.340 3.572 30 20 BHED C[C@@H](Sc1cccc(C#N)c1)c1ccncc1 610722530 QNUVTCWIHMXIQR-LLVKDONJSA-N 240.331 3.807 30 20 BHED C=CCN(C(=O)c1ccoc1C1CC1)C(C)(C)C 622944837 HJDJEBMZQUQLEI-UHFFFAOYSA-N 247.338 3.584 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cccc(OC)c1C 628697944 KCSAVZOIEUTBHQ-OAHLLOKOSA-N 247.338 3.544 30 20 BHED COc1ccc(N[C@@H](C)CC(C)(C)C#N)c(C)c1 695775975 BSSYZMCILODWOD-LBPRGKRZSA-N 246.354 3.744 30 20 BHED C#CCN(C)[C@H](C)c1ccc(Cl)c(Cl)c1 746136614 AUWRUJMPSGNTCZ-SECBINFHSA-N 242.149 3.619 30 20 BHED CCC1(C)CCC(=NOCC(F)F)CC1 758910697 KADUJBPENIGKQP-UHFFFAOYSA-N 219.275 3.614 30 20 BHED CCC(CC)CNN=Cc1coc2ccccc12 774463880 SBTWJIAHYWAWQM-UHFFFAOYSA-N 244.338 3.793 30 20 BHED CCCCC[C@H](NCC1(C#N)CC1)C(C)(C)C 776025298 RPWRLNGQSSYJCD-ZDUSSCGKSA-N 236.403 3.875 30 20 BHED C[C@H]1CCCC(=NOCCC(F)(F)F)C1 777455883 NSGWEMIJGUBDCJ-QMMMGPOBSA-N 223.238 3.522 30 20 BHED C#CCON=C1CCCc2ccc(C(C)C)cc21 812233688 ZIXUNYZXVNMXMU-UHFFFAOYSA-N 241.334 3.500 30 20 BHED C[C@H](NN=C1CC[C@H]1C1CCC1)C(C)(C)C 814938404 KJDGYUXLWJFAOR-JQWIXIFHSA-N 222.376 3.577 30 20 BHED CC(Cc1ccc(F)cc1)=NOCCC1CC1 814941488 ZWBIGGQLPOIFDG-UHFFFAOYSA-N 235.302 3.561 30 20 BHED Cc1ccc(S[C@H]2CC[C@H](C#N)C2)s1 830058011 XRNKLCVOABXMFP-UWVGGRQHSA-N 223.366 3.841 30 20 BHED CC(=NNc1cccc(F)n1)[C@@H]1CCCC[C@H]1C 834979488 JQOZPRINVKKDSP-ZYHUDNBSSA-N 249.333 3.835 30 20 BHED C#CCCN1CC2(CCCC2)[C@H]1c1ccccc1 839127558 UUWADDPZEQFXHE-MRXNPFEDSA-N 239.362 3.627 30 20 BHED C=C(C)CON=C(C)CCc1ccsc1 844618236 MWOGYHGBHRFNCQ-UHFFFAOYSA-N 223.341 3.649 30 20 BHED CC(C)CNN=Cc1c(Cl)cccc1Cl 916365508 BICGUAVBNAFCGH-UHFFFAOYSA-N 245.153 3.573 30 20 BHED CN(CCCCC1(C#N)CCC1)C1CC(C)(C)C1 930701330 ONKZJMGPEYRCIA-UHFFFAOYSA-N 248.414 3.971 30 20 BHED CC(CCc1ccsc1)=NOC(C)(C)C 1325525449 KOKJHLVYWTWHBT-UHFFFAOYSA-N 225.357 3.872 30 20 BHED C=C(C)CCC(=O)N1Cc2cccc(Cl)c2C1 1358475367 QKVNGLVJVQVSMN-UHFFFAOYSA-N 249.741 3.539 30 20 BHED CC[C@@H](C)C[C@@H](CC)NCc1cccc(C#N)c1 37748753 XQAICACZIGQBQE-CZUORRHYSA-N 244.382 3.863 30 20 BHED CCN(CCC(C)(C)C#N)c1cccc(F)c1 87595475 VLSMAYLTYOSOOL-UHFFFAOYSA-N 234.318 3.592 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1cncs1 133077632 UUIAINXZRFULDG-QWRGUYRKSA-N 224.373 3.539 30 20 BHED CC#CCCN[C@@H]1CCCC[C@@H]1c1ccccc1 158350219 HJTLVFUEBHZWCV-IAGOWNOFSA-N 241.378 3.716 30 20 BHED CC#CCCCC(=O)Nc1ccccc1C(C)C 184876689 AFCNIYHMAFSOLK-UHFFFAOYSA-N 243.350 3.942 30 20 BHED C=C(C)CNC[C@H](c1ccccc1)C(C)C 232742472 BTTSITKQHCSWND-HNNXBMFYSA-N 217.356 3.592 30 20 BHED C=CCC[C@@H](C)Nc1ccccc1O[C@H](C)C#N 273449336 OITUREBYRCGNNE-CHWSQXEVSA-N 244.338 3.744 30 20 BHED C=CCCCCN[C@H](C)c1ccc(F)cc1 309303690 MQHFOJWOKIUDFC-GFCCVEGCSA-N 221.319 3.833 30 20 BHED C=CC[C@@H](C)N[C@H]1CCc2c(F)ccc(F)c21 337656862 GIFPCMFLAVEFEP-RNCFNFMXSA-N 237.293 3.506 30 20 BHED C=CCCC(=O)N[C@@H](CC(C)C)c1ccccc1 338604455 VYQOFFVVJCMODP-HNNXBMFYSA-N 245.366 3.856 30 20 BHED C=CCCN(C)C(=O)c1cccc2ccsc12 342506024 FIBJZXBDIGPNTJ-UHFFFAOYSA-N 245.347 3.549 30 20 BHED CC[C@@H]1CC[C@H]1N[C@@H](CCC#N)c1ccccc1 348414404 ROCXZUQSMMOFAH-VNQPRFMTSA-N 242.366 3.810 30 20 BHED C=CCC1(C(=O)Nc2ccc(F)c(C)c2)CCC1 359629707 GERBPHXPYJGECQ-UHFFFAOYSA-N 247.313 3.819 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@@H](C)c1cccc(C)c1 410127698 CLDMEUOHNZHSBM-DZGCQCFKSA-N 245.366 3.569 30 20 BHED CCC[C@@H](CC)Sc1cc(C)ncc1C#N 425262966 SKPNRQGTQHTBTP-GFCCVEGCSA-N 234.368 3.933 30 20 BHED C=CCCCCCN(C)C(=O)[C@@](C)(C=C)CC 468027292 CVVBRKHBTDGBMH-HNNXBMFYSA-N 237.387 3.794 30 20 BHED C=C(CC)CN(C)[C@@H](C)c1ccc(F)cc1 537992779 BSSCJTXBNJZNBS-LBPRGKRZSA-N 221.319 3.785 30 20 BHED C=CCCC[C@H](C)NC(=O)CC[C@H](C)CC 552149911 OWEVXJBIEHESJO-OLZOCXBDSA-N 225.376 3.674 30 20 BHED C=CCC(C)(C)c1noc(Cc2cccs2)n1 560030035 YRMKMCPRHCVOIK-UHFFFAOYSA-N 248.351 3.576 30 20 BHED C=CCN(CCCC(C)(C)C#N)C(C)(C)C 595765203 IHZCZDCICHYMOL-UHFFFAOYSA-N 222.376 3.603 30 20 BHED CC(C)[C@H](NC[C@H](C)CCC#N)c1ccccc1 602502760 NEBMKVKIZMZZOE-ZBFHGGJFSA-N 244.382 3.913 30 20 BHED C=CCCCN(CCC)Cc1ccccc1 605149613 DEVYIUINSBWKIQ-UHFFFAOYSA-N 217.356 3.865 30 20 BHED C=CCC[C@@H](CC)NC1(C2CCC2)CC1 652272250 FVMRHNVCUDBZGK-CYBMUJFWSA-N 207.361 3.654 30 20 BHED C[C@H]1C[C@H]1c1ccc(C=NNc2ccccc2)o1 732763447 YJMZHMWKQXSCFR-SMDDNHRTSA-N 240.306 3.849 30 20 BHED C=CCC(CC=C)C(=O)NC[C@@H](C)C(C)(C)C 758485788 DNZVSRNFEZZXDD-GFCCVEGCSA-N 237.387 3.553 30 20 BHED C[C@@H]1CC(C)(C)CC1=NNc1ccccc1 765993708 ZBYQKSGYIGUJED-LLVKDONJSA-N 216.328 3.911 30 20 BHED C#CCCCN(C)Cc1cccc2ccccc12 766896259 YQUZNIHWGTWGPL-UHFFFAOYSA-N 237.346 3.685 30 20 BHED C=C(CNc1cccc(Cl)n1)c1ccccc1 808074364 AAIOZLMXMIXCAR-UHFFFAOYSA-N 244.725 3.860 30 20 BHED C[C@H]1CCCC[C@H]1C=NOCCC1CC1 814246093 SLUZGAJYUJYORG-AAEUAGOBSA-N 209.333 3.615 30 20 BHED CC1=C(C)C[C@H](C(=O)OC2(CC#N)CCC2)CC1 842788619 HCWLTKGHRAKEPK-CYBMUJFWSA-N 247.338 3.502 30 20 BHED C=C[C@H](C)ON=C1CC(c2cccc(F)c2)C1 844621803 NHWLPWSUTOBGNQ-NUHJPDEHSA-N 233.286 3.650 30 20 BHED CC(C)c1ccccc1C(=O)OCCCCC#N 849840051 SSIKYVZXYMNSKI-UHFFFAOYSA-N 245.322 3.661 30 20 BHED C#CCCOC(=O)Oc1cccc(C(C)(C)C)c1 858877632 XSGPWFQTGSSSLF-UHFFFAOYSA-N 246.306 3.523 30 20 BHED C=CCCCC(=O)N1Cc2ccccc2[C@H]1CC 890611717 DTEWNFXSEAJJKX-OAHLLOKOSA-N 243.350 3.836 30 20 BHED CCCSC[C@@H](C)Nc1cccc(CC#N)c1 894768051 QKZISFFWDDFTMC-GFCCVEGCSA-N 248.395 3.696 30 20 BHED C=C[C@H](CC)CC(=O)N(C1CCCC1)C1CC1 931923088 LJAIXJLRJCUFPJ-GFCCVEGCSA-N 235.371 3.522 30 20 BHED CC(C)(C)C1CCC(NCC2(C#N)CCC2)CC1 1179776300 PHJLHVZVCVAZEQ-UHFFFAOYSA-N 248.414 3.875 30 20 BHED CC(=NOC(C)(C)C)c1ccc(C)s1 1319802490 GGACZOJCMUHZRY-UHFFFAOYSA-N 211.330 3.596 30 20 BHED C=C(C)CCC(=O)Nc1scnc1C(C)C 1337251278 BCSOTLMXLKQEQM-UHFFFAOYSA-N 238.356 3.561 30 20 BHED C=C[C@@H](CC)CC(=O)O[C@@H](C)c1cnccc1C 1344595564 NXTQEZKDEBAKBV-STQMWFEESA-N 247.338 3.597 30 20 BHED COc1ccsc1C(=O)/C=C/c1ccccc1 39208756 XDSKDQRIQOHGPW-BQYQJAHWSA-N 244.315 3.653 30 20 BHED Cc1ccc(C#N)cc1NCc1cccs1 50429106 BSNFVBBOMDMLTM-UHFFFAOYSA-N 228.320 3.540 30 20 BHED Cc1ccc(C(=O)/C=C/c2ccsc2)cc1 57435453 NJEMJZJDOXBRGI-QPJJXVBHSA-N 228.316 3.953 30 20 BHED O=C(/C=C\c1ccccc1Cl)c1ccco1 83295993 DEOPYSWIQAMXMC-FPLPWBNLSA-N 232.666 3.829 30 20 BHED C[C@H](NCC1(C)CCCC1)c1ccc(C#N)cc1 104444808 PPLCOOWUZONCEN-ZDUSSCGKSA-N 242.366 3.789 30 20 BHED CCOc1cc(C#N)ccc1OCC(CC)CC 167436953 JTQSQLXCWIUGDT-UHFFFAOYSA-N 247.338 3.772 30 20 BHED C=C[C@@](C)(CC)C(=O)N(C)CC1CCCCC1 190081640 QVYKXDASHWJDCW-HNNXBMFYSA-N 237.387 3.627 30 20 BHED C[C@H]1C[C@H](C)CC[C@@H]1Nc1cccc(F)c1C#N 221792443 SWHMIBAWUQXZEE-SUNKGSAMSA-N 246.329 3.934 30 20 BHED C[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CC[C@H]1C 245919454 NPZZDFWSWPFFDH-MGPQQGTHSA-N 242.366 3.597 30 20 BHED O=C(/C=C\c1cccc(F)c1)c1ccccc1F 255840406 BAHAIUQRYGFULB-HJWRWDBZSA-N 244.240 3.861 30 20 BHED Cc1ccc(C)c(N(CCCC#N)C(C)C)c1 303684549 ZORNFDPCBMRVQG-UHFFFAOYSA-N 230.355 3.822 30 20 BHED CCCCCCNc1cccc(CC#N)c1 313419429 ANIGBZGVUARQOU-UHFFFAOYSA-N 216.328 3.745 30 20 BHED C=C(C)CCN[C@@H](CC)c1ccc2c(c1)CCO2 386761863 IOFAFVPSVOARNT-HNNXBMFYSA-N 245.366 3.628 30 20 BHED CCc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)s1 424324984 KOFDYTYTKVWHLP-SDDRHHMPSA-N 248.395 3.653 30 20 BHED CC(C)=CCC[C@H](C)NCc1cc(C#N)cs1 449443645 UMBKTUCLYYNNER-LBPRGKRZSA-N 248.395 3.844 30 20 BHED CC[C@@H](C[C@H](C)CC)NCC(C)(C)CC#N 459736254 UIYSNWUXTYWEFK-OLZOCXBDSA-N 224.392 3.731 30 20 BHED CC[C@H](Cc1ccccc1)NCC(C)(C)CC#N 459738059 XILGOGHSFURPBO-OAHLLOKOSA-N 244.382 3.537 30 20 BHED C=CCCN(C)c1cc(C)nc2ccccc12 466384005 QHUFAIPXAPLDKR-UHFFFAOYSA-N 226.323 3.556 30 20 BHED C=CCCCOc1c(F)c(F)cc(F)c1F 522746799 VABNENWWMOMBGD-UHFFFAOYSA-N 234.192 3.588 30 20 BHED C=C1CCN([C@@H](C)CCc2ccccc2)CC1 524676262 MYTUOFWPQCNWHA-HNNXBMFYSA-N 229.367 3.660 30 20 BHED C=CCCC[C@H](C)NC(=O)CCC1CCCC1 538327636 FDQNASISMREQBJ-ZDUSSCGKSA-N 237.387 3.818 30 20 BHED CC[C@@H](NCc1cccc(C#N)c1F)C(C)(C)C 538389265 CRGOJTFKTMBSGM-CYBMUJFWSA-N 248.345 3.612 30 20 BHED C=CCCN[C@@H](C)c1ccccc1OC(C)C 540325881 IMUALGXMHORIMI-ZDUSSCGKSA-N 233.355 3.701 30 20 BHED C=CCCC(=O)Nc1cccc(O[C@@H](C)CC)c1 549124608 FUAVKTUHHLSDSY-LBPRGKRZSA-N 247.338 3.769 30 20 BHED C=CCCCCN[C@@H]1CCC[C@H]1SCC 569189279 BTTYGJNRUYNPMP-CHWSQXEVSA-N 227.417 3.607 30 20 BHED Cc1ccc(-c2ccc(N(C)C)cc2)c(C#N)c1 589963083 XZTHJNCOOCNKIM-UHFFFAOYSA-N 236.318 3.600 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H]1CCC[C@H](C)C1 620858354 DYLXBJKGCCUTTA-STQMWFEESA-N 237.387 3.674 30 20 BHED C=CCCCCCN1CCC2(CCCC2=O)CC1 661958259 QAMLBYCWOSPZIT-UHFFFAOYSA-N 249.398 3.568 30 20 BHED C[C@@H](CC(C)(C)C#N)Nc1ccc(F)c(F)c1 695815922 MHBUTUIXWWXQLT-VIFPVBQESA-N 238.281 3.705 30 20 BHED CC[C@H]1CCCC(=NNCc2ccccc2)C1 734977853 KKQQKCOODFFZJN-ZDUSSCGKSA-N 230.355 3.732 30 20 BHED C=CCCCSCc1cccc(C(=O)O)c1 736102427 GXWCASCOXKRSMU-UHFFFAOYSA-N 236.336 3.584 30 20 BHED C=C(CC)CN(CCC)Cc1ccccc1O 773432110 ODRXQNUATQPBBI-UHFFFAOYSA-N 233.355 3.570 30 20 BHED CC(=NNc1ccccc1)c1ccc(Cl)cn1 774310656 KGCSQWDODHJJOW-UHFFFAOYSA-N 245.713 3.571 30 20 BHED CC(=NOC1CCCCC1)c1cnn(C(C)C)c1 777460045 UREKAFKTMWIOIU-UHFFFAOYSA-N 249.358 3.537 30 20 BHED C=CC[C@@H](CC)NC(=O)/C=C(/C)c1ccccc1 798554333 OGDHHRRIOYJKIR-WIDZWVOGSA-N 243.350 3.561 30 20 BHED C[C@H]1CC(=NOC/C=C/Cl)c2ccccc21 811669818 JOKDKCMYZJFKAB-NIMUAWHKSA-N 235.714 3.667 30 20 BHED CC(=NNc1ccnc(F)c1)[C@H]1CCCC[C@H]1C 834972569 DERVQPDFISJXCW-MFKMUULPSA-N 249.333 3.835 30 20 BHED N#CCC1(CSCCc2cccs2)CC1 853772848 YYXGCUAGSPKTBI-UHFFFAOYSA-N 237.393 3.718 30 20 BHED C=C1CC(c2noc([C@@H]3C[C@@]3(C)C(C)C)n2)C1 896884644 STFRAUIKKWMPLD-FZMZJTMJSA-N 232.327 3.653 30 20 BHED C=CCCCCCSCc1nncs1 902379726 GCCXGFFYVDZSGB-UHFFFAOYSA-N 228.386 3.518 30 20 BHED C=C(Br)CN[C@H](CCC)C(C)(C)C 1658685525 JBQKNOXACICRNI-SNVBAGLBSA-N 248.208 3.699 30 20 BHED Cc1ccc(/C=C\C(=O)c2ccc(C)o2)cc1 33572259 CFQRCOPTFLDDAS-HJWRWDBZSA-N 226.275 3.793 30 20 BHED C=C(Cl)COc1ccc2ccccc2c1C=O 35101706 BDQYGEJEMGKWMQ-UHFFFAOYSA-N 246.693 3.784 30 20 BHED Cc1cc(F)ccc1CNc1cccc(C#N)c1 50569085 PDNHWESRLORUNS-UHFFFAOYSA-N 240.281 3.618 30 20 BHED O=C(/C=C\c1cccnc1)c1ccc(Cl)cc1 104979450 VHMPKIPXDUCFSQ-BAQGIRSFSA-N 243.693 3.631 30 20 BHED C=C[C@H](C)NCc1cccc(Cl)c1Cl 130457659 IPPUNZKHIXSIKJ-QMMMGPOBSA-N 230.138 3.658 30 20 BHED C=C(CN[C@H](C)c1nccs1)c1ccccc1 134366407 OJCZHWOKUUMPTJ-GFCCVEGCSA-N 244.363 3.507 30 20 BHED C[C@H]1CCCC[C@@H]1CNCC(C)(C)CCC#N 135163180 NKOLYSWPWSSIAR-UONOGXRCSA-N 236.403 3.732 30 20 BHED CC[C@H](S[C@H](C)C#N)c1ccccc1 156404192 WHLZRUOMFAJIFV-PWSUYJOCSA-N 205.326 3.783 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc(C)s1 161664296 WGDGEZXKHAWUDN-ONGXEEELSA-N 209.358 3.672 30 20 BHED C[C@@H](N(C)Cc1cc(F)ccc1C#N)C(C)(C)C 229957164 LHFOGELANQQHEL-LLVKDONJSA-N 248.345 3.564 30 20 BHED CCc1ccc(C(=O)/C=C\c2ccsc2)o1 255618569 GFBUVBHCUQNWIL-HYXAFXHYSA-N 232.304 3.800 30 20 BHED CC(C)(C)CCCCNc1ncccc1C#N 301167584 DBHXXFVIJWZPJI-UHFFFAOYSA-N 231.343 3.582 30 20 BHED C=CCCCn1ccc(-c2ccc(F)cc2)n1 303821809 KDUUZJMHBMSHQO-UHFFFAOYSA-N 230.286 3.655 30 20 BHED C=CCCCCCCCNCc1cncs1 309413749 YMAFZUZZTCVNCA-UHFFFAOYSA-N 238.400 3.759 30 20 BHED C=CCCCCC[C@@H](C)NCc1ccco1 309533760 DQYFMOKWLFFCLD-CYBMUJFWSA-N 221.344 3.894 30 20 BHED C=C(CC)CSCc1cn2ccccc2n1 358638129 VEYVBHJYRYHVKF-UHFFFAOYSA-N 232.352 3.534 30 20 BHED Cc1ccc(CCCSCCC#N)cc1 413009361 CHYFWYHTUWCMSV-UHFFFAOYSA-N 219.353 3.575 30 20 BHED C=CCC(C)(C)C(=O)NC[C@H]1CCCC[C@H]1C 429891909 RWGYITKSHFPVSV-CHWSQXEVSA-N 237.387 3.531 30 20 BHED C=CCC[C@H](C)N[C@@H]1C[C@@H](OC(C)C)C1(C)C 463580115 VIZWCOQFPPMCFU-BFHYXJOUSA-N 239.403 3.523 30 20 BHED C=C(C)CN1C[C@@H](C)C[C@H]1c1cccc(F)c1 472237881 HYHWCMMDGDJKSF-WFASDCNBSA-N 233.330 3.785 30 20 BHED C=CCC[C@@H](C)Nc1cnn([C@@H](C)CC)c1C 477938615 CMNLNOLLYIVYOU-NEPJUHHUSA-N 235.375 3.929 30 20 BHED C=CCOCCCSCCC(C)(C)C 479602325 OLVAOZBJCFHLHK-UHFFFAOYSA-N 216.390 3.749 30 20 BHED C=C(C)CCN1CCC[C@@H]1c1ccccc1 509855807 ZZWHCKPJDXFGPG-OAHLLOKOSA-N 215.340 3.790 30 20 BHED C=C(C)CN(CC)C(=O)C[C@@H]1CCCC[C@H]1C 518737054 WSIXZGHVMLNFAS-KGLIPLIRSA-N 237.387 3.627 30 20 BHED C=C(CC)CN(C)[C@H](C)c1ccc(C)cc1 536880369 BKALLNOVNYNVOU-CQSZACIVSA-N 217.356 3.954 30 20 BHED C=C(C)CNC1(Cc2ccccc2)CCCC1 565333000 WXPRCMPZJUDYJN-UHFFFAOYSA-N 229.367 3.708 30 20 BHED C=CCC1(NCc2ccncc2C)CCCCC1 577467199 ZPTGMPHQBGBAST-UHFFFAOYSA-N 244.382 3.759 30 20 BHED CC(C)C1CCC(CN2CCC(C#N)CC2)CC1 589159644 GUWDFSSQFVCAFR-UHFFFAOYSA-N 248.414 3.684 30 20 BHED C=CCCSCCN[C@@H](C)c1cccs1 595058734 KHRBSGZERFKSMQ-NSHDSACASA-N 241.425 3.708 30 20 BHED N#Cc1cc(Cl)ccc1SCC1(C#N)CC1 601913051 OTSGZQDZWDTABW-UHFFFAOYSA-N 248.738 3.608 30 20 BHED C=CCCCN1CCC[C@H]1c1ccccc1 605149789 RYRIURXVYWZBFI-HNNXBMFYSA-N 215.340 3.790 30 20 BHED C=CCCC[C@@H](C)NC(=O)C[C@@H](C)c1ccco1 626370215 GHRVEQPSQVGXMM-CHWSQXEVSA-N 249.354 3.634 30 20 BHED N#Cc1ccc(SCC(F)(F)C(F)F)cc1 733869310 HDFAUUSBUYCIJP-UHFFFAOYSA-N 249.232 3.551 30 20 BHED C=CCCCCCN(C)C(=O)/C(C)=C\CC 739653267 AMWLQZGFXQNTDK-QBFSEMIESA-N 223.360 3.548 30 20 BHED C=CCCON=Cc1ccccc1C(F)(F)F 740872904 WEDWSIRQLGXEAV-UHFFFAOYSA-N 243.228 3.632 30 20 BHED CC(CC1CC1)=NNCc1ccc(Cl)cc1 764718653 POZVYQGVDRZXAD-UHFFFAOYSA-N 236.746 3.606 30 20 BHED C#CC[C@H](N[C@H](CC)C1CC1)c1ccccc1 773114234 HHQNQJNEFRRSDY-CVEARBPZSA-N 227.351 3.529 30 20 BHED CC1=CCC[C@@H](C)[C@@H]1C=NOCC(F)(F)F 773207807 LZBITHUYFDWOID-NXEZZACHSA-N 235.249 3.544 30 20 BHED CC(C[C@@H](C)CC(C)C)=NNc1ccccn1 779759157 HYJHXYZHQCEFJU-LBPRGKRZSA-N 233.359 3.942 30 20 BHED C=CCCCCCOC(=O)C(C)(C)CSC 800312934 XAWOBPPGGXDRDL-UHFFFAOYSA-N 244.400 3.665 30 20 BHED CC1(C)CCC(=NNCC2CCCC2)CC1 808007079 OABHOWMRXOJKBX-UHFFFAOYSA-N 222.376 3.722 30 20 BHED CC(C)=CCC[C@H](C)CC(=O)OCCCC#N 830090338 FCKZPQAPLJCIGA-ZDUSSCGKSA-N 237.343 3.606 30 20 BHED C=C[C@@H](C)ON=Cc1ccsc1C(F)(F)F 863124087 PVYNHFWYLGUFJO-SSDOTTSWSA-N 249.257 3.692 30 20 BHED CCC[C@H](CC)C(=O)Nc1cc(C#N)ccc1C 874249740 SKRJSJNWTUWWON-ZDUSSCGKSA-N 244.338 3.632 30 20 BHED C=CC(C)(C)CC(=O)Nc1cccc2[nH]ccc12 878612743 VROAWRLVMQZIDZ-UHFFFAOYSA-N 242.322 3.709 30 20 BHED CC(C)CC[C@H](NCC(C)(C)C#N)c1ccoc1 903101721 LFMYNLQQBAMEEW-AWEZNQCLSA-N 248.370 3.896 30 20 BHED CCC[C@@]1(C)CCCN(CC2(CC#N)CC2)C1 1167509451 NHCJUXTVBSYAFQ-AWEZNQCLSA-N 234.387 3.582 30 20 BHED CSc1ccccc1C(C)=NOCC1CC1 1261232363 CPNIJGIVUJCLEF-UHFFFAOYSA-N 235.352 3.559 30 20 BHED C(=NNc1ccccc1)c1ccc2c(c1)CCC2 1318776425 JBPUSAJGBFENLD-UHFFFAOYSA-N 236.318 3.621 30 20 BHED C[C@H]1CCCC[C@@H]1C=NNCc1ccc(F)cc1 1323706191 RHBLTVWGIBFFJG-GXTWGEPZSA-N 248.345 3.727 30 20 BHED CC1(CSc2ccccc2C#N)CCC1 1656291140 DQIXNRDCPXPGKZ-UHFFFAOYSA-N 217.337 3.841 30 20 BHED CCCC1CCC(NCCCCC#N)CC1 49578574 JXQYSSZLRXVARO-UHFFFAOYSA-N 222.376 3.629 30 20 BHED CC(C)N(Cc1cccc(C#N)c1)C1CCCC1 68449044 NLMXWPKHRWOZSX-UHFFFAOYSA-N 242.366 3.711 30 20 BHED C=C(C)CN(C)[C@H](C)c1ccc(F)c(F)c1 73432232 SQODMXBXNFBXGQ-SNVBAGLBSA-N 225.282 3.534 30 20 BHED Cc1ccc(NCC2(CC#N)CC2)c(Cl)c1 83853719 FCYQHXBFINEUEI-UHFFFAOYSA-N 234.730 3.754 30 20 BHED CC[C@@H](C)CN(CC)CC(C)(C)CCC#N 93845027 VSOUKXAHXMWYKE-CYBMUJFWSA-N 224.392 3.684 30 20 BHED C=CCN(Cc1cccs1)C(=O)/C(C)=C\CC 129372653 MKMPLFWRODLOOQ-GHXNOFRVSA-N 249.379 3.619 30 20 BHED Cc1cccc(CSc2cccnc2C#N)c1 130904116 JFGIJBNPINCAID-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=C(C)COc1ccc(F)c(Br)c1 137055890 VHRQJLTUTZEJOR-UHFFFAOYSA-N 245.091 3.543 30 20 BHED C=C(C)CNCc1cccc(Cl)c1Cl 153389606 IUCRZSAOVATLAA-UHFFFAOYSA-N 230.138 3.659 30 20 BHED C[C@H]1CCC[C@H](CNCc2cc(C#N)cs2)C1 177689756 SIWZREBZBRHLFI-RYUDHWBXSA-N 248.395 3.536 30 20 BHED CCCC1CCC(N(C)CCCCC#N)CC1 191426058 IIQFCDAKZNWOTE-UHFFFAOYSA-N 236.403 3.971 30 20 BHED CC[C@@H](S)c1cccc(Br)c1 233913232 RWFBGTVFTGHWBA-SECBINFHSA-N 231.158 3.830 30 20 BHED C[C@H](NCC1CCCC1)c1ccc(C#N)c(F)c1 271958625 SXNGXCUWVDMYIC-NSHDSACASA-N 246.329 3.538 30 20 BHED C=C(C)CNc1cc(SC)ccc1C 306547930 XQSKTPGWHRXKPU-UHFFFAOYSA-N 207.342 3.705 30 20 BHED C=CC[C@H](C)NC[C@H]1C(C)=CCC[C@@H]1C 309004736 PJGZLIKSHWYDQY-IHRRRGAJSA-N 207.361 3.533 30 20 BHED C=C[C@H](C)N[C@H](C)c1cc(Cl)cc(C)c1O 309608878 ZJQYTEMWFGSMLK-VHSXEESVSA-N 239.746 3.579 30 20 BHED Cc1nc(NC2CCCCCCC2)ccc1C#N 310951484 ZERSJXLHQAGBON-UHFFFAOYSA-N 243.354 3.787 30 20 BHED Cc1occc1CNc1cc(Cl)ccc1C#N 321656474 WGFRHRUQGHSOFM-UHFFFAOYSA-N 246.697 3.725 30 20 BHED C=CCCCSc1nc2nc(C)ccc2o1 342439611 ZYTKVIXMZJXDCU-UHFFFAOYSA-N 234.324 3.590 30 20 BHED C=CCCCC[C@@H](C)NCC1(C(F)F)CC1 449294054 KAGHKSZDTBKFIA-LLVKDONJSA-N 231.330 3.756 30 20 BHED CC[C@@H]1CCC[C@H]1CNCc1ccc(C#N)s1 449437301 YTMQXXHFHFDKDW-NEPJUHHUSA-N 248.395 3.536 30 20 BHED C=CCCCCNC(=O)[C@H](CCC)C(C)C 471673428 GSMHNPICQHGZCW-CYBMUJFWSA-N 225.376 3.531 30 20 BHED C=CCCC1(C(=O)N2CCCCC(C)(C)C2)CC1 476921199 GBPYXYONASJVGE-UHFFFAOYSA-N 249.398 3.772 30 20 BHED CC[C@H]1CCC[C@H](CN(CCC#N)C(C)C)C1 543395149 UDOKDSAYRASDPD-GJZGRUSLSA-N 236.403 3.827 30 20 BHED Cc1cc(SCCC(F)(F)F)ccc1C#N 569693244 ZTHZWVYBLUQRSC-UHFFFAOYSA-N 245.269 3.911 30 20 BHED CC(C)N(CCC#N)C[C@@H](C)c1ccc(F)cc1 575862306 LEKWIRCQPGCDKD-CYBMUJFWSA-N 248.345 3.553 30 20 BHED C=CCN(C(=O)c1cccc(C(C)C)c1)C1CC1 613239685 WGVOLVDIACSVCU-UHFFFAOYSA-N 243.350 3.601 30 20 BHED COc1ccc(C#N)cc1N[C@H](C)CC1CCC1 613541215 SSLDGTKGADNPLO-LLVKDONJSA-N 244.338 3.557 30 20 BHED C=CC[C@H]1CCCN(C(=O)C[C@H]2C=CCCC2)C1 617780225 QTMGMMXMKQCWIH-GJZGRUSLSA-N 247.382 3.548 30 20 BHED C=CCC[C@@H](NCc1ccoc1C)c1ccco1 671743653 GNRWUVKINUAZEX-CQSZACIVSA-N 245.322 3.978 30 20 BHED CCC(C[C@H](C)CC)=NNc1ccc(F)cn1 731319536 RDVCZGBNBLSHFN-SNVBAGLBSA-N 237.322 3.835 30 20 BHED C=CCOc1ccc(OC(=O)CCCCC)cc1 742860827 KJSCKPIZJJRCAT-UHFFFAOYSA-N 248.322 3.737 30 20 BHED CCON=C1C[C@@H](C)C[C@@H](c2ccccc2)C1 749859405 QDFLEVIENXONNR-GXTWGEPZSA-N 231.339 3.983 30 20 BHED CC(C)CON=C/C=C/c1ccc(F)cc1F 758128084 CVQCRULGTSEFFV-VFVPTBDISA-N 239.265 3.636 30 20 BHED Cc1ccc(F)c(NN=CCC(C)C)c1 759652402 IWAZUNDWIASACU-UHFFFAOYSA-N 208.280 3.578 30 20 BHED C#CCCN(CC)Cc1ccc2ccccc2c1 760819644 NKAGJWQJASGZCZ-UHFFFAOYSA-N 237.346 3.685 30 20 BHED C=CCCCC(=O)Oc1ccc(Cl)c(F)c1 761914918 SDLKKTSCLOZUOW-UHFFFAOYSA-N 242.677 3.741 30 20 BHED FC(F)CNN=C1CCC2(CCCCC2)CC1 786039498 HPFQQXPPDWYSOI-UHFFFAOYSA-N 244.329 3.722 30 20 BHED CC1(C)CCC1=NNc1cc(F)c(F)cc1F 789021346 WKMXKRSOLCQZPP-UHFFFAOYSA-N 242.244 3.692 30 20 BHED C=C(C)CCc1noc(CSCCCC)n1 795765810 CXLXHZONKPFIHT-UHFFFAOYSA-N 240.372 3.612 30 20 BHED CC[C@H]1CCC1=NN[C@@H]1CCCCC1(C)C 807985499 PYDILQJPKODRBE-WCQYABFASA-N 222.376 3.721 30 20 BHED C=CC(C)(C)COC(=O)c1cccc(C(C)C)n1 835725357 YJNWNOYGMVMFQQ-UHFFFAOYSA-N 247.338 3.574 30 20 BHED C[C@@H]1CCCCN1N=C1CCC[C@H]1CCCF 853382361 YMTLADAMLBPGKS-OLZOCXBDSA-N 240.366 3.767 30 20 BHED C=CCNC(=O)N(C)CCCCCCCCC 919653579 MCTFPZJBJLNNFE-UHFFFAOYSA-N 240.391 3.564 30 20 BHED C#CCCN(CCCCC)CCCCC 920415727 DRGFIGGWEXILNG-UHFFFAOYSA-N 209.377 3.692 30 20 BHED C=C(Cl)CN(C)c1ccc(F)c(Cl)c1 1559700621 YGURGMVGPQCYAY-UHFFFAOYSA-N 234.101 3.668 30 20 BHED CCC(CC)CN(CCC#N)Cc1occc1C 93101030 XLNLHBAMINSSFJ-UHFFFAOYSA-N 248.370 3.740 30 20 BHED C=C[C@H](C)N[C@@H](CCC)c1ccc(OC)cc1 119317709 SHMBQMROAPTXLQ-WFASDCNBSA-N 233.355 3.701 30 20 BHED COc1ccc(C)cc1CSCCCC#N 158838405 SHFXCIGKYNYMFF-UHFFFAOYSA-N 235.352 3.541 30 20 BHED C[C@H](CC1CCC1)Nc1ccc(OCC#N)cc1 165278738 XFKGWZPBUCBZGI-GFCCVEGCSA-N 244.338 3.580 30 20 BHED C=CCCCC(=O)NC1CCCCCCC1 175112494 MFFNVQVRVPNBGP-UHFFFAOYSA-N 223.360 3.572 30 20 BHED C=CCCCC(=O)Nc1ccc2scnc2c1 175508442 VBZXLZIHICYBJY-UHFFFAOYSA-N 246.335 3.591 30 20 BHED CC[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 189233383 AHLRLUKYIQRNJL-UONOGXRCSA-N 242.366 3.741 30 20 BHED Cc1cccc(/C=C\C(=O)c2cccc(C#N)c2)c1 206975975 DQFUIHGXMFWTDN-HJWRWDBZSA-N 247.297 3.763 30 20 BHED C[C@@H]1CCCCN1CCCCC(C)(C)C#N 235241011 SDYSBMGEAXLGNW-CYBMUJFWSA-N 222.376 3.581 30 20 BHED C[C@@H](CCC1CC1)Nc1cccc(F)c1C#N 302219854 MJGOVPZLPPUPHW-JTQLQIEISA-N 232.302 3.688 30 20 BHED C=CCCCCCCNC1CCSCC1 308786780 FXRCDKAMWIDIFB-UHFFFAOYSA-N 227.417 3.608 30 20 BHED C=CC[C@@H](C)NCc1cccc(CCC)c1 309413939 CFSOTJNADLXOJN-CYBMUJFWSA-N 217.356 3.693 30 20 BHED CCCCCC[C@H]1CCC[C@H]1NCCC#N 309617771 CFGBFGFUBOYPAN-UONOGXRCSA-N 222.376 3.629 30 20 BHED Cc1nc(Oc2ccc(Cl)cc2)ccc1C#N 310331540 AICJGYDCOAAJSU-UHFFFAOYSA-N 244.681 3.707 30 20 BHED C[C@@H]1CCC[C@H](CNc2cccc(CC#N)c2)C1 313484794 WJVSXJOODWSLDX-HIFRSBDPSA-N 242.366 3.991 30 20 BHED N#CCc1ccc(CSCC2CCC2)cc1 342556954 LWHHEYROSBHLLF-UHFFFAOYSA-N 231.364 3.786 30 20 BHED Cc1cc(F)ccc1/C=C\c1ccncc1C#N 349105174 GFNUUHGIPIBKKA-IHWYPQMZSA-N 238.265 3.571 30 20 BHED CC(C)(C#N)CCCCN1CCC[C@@H](C2CC2)C1 377604712 IRLKIZXGPYHTOY-OAHLLOKOSA-N 248.414 3.828 30 20 BHED C=C(C)CCN[C@H](C)c1c(C)cccc1C 381467766 NDGOQSSAPQPZRV-CQSZACIVSA-N 217.356 3.920 30 20 BHED C=CC(C)(C)CN[C@H](C)c1sc(C)nc1C 384853586 MFUZDHBZTKOQJS-SECBINFHSA-N 238.400 3.623 30 20 BHED C=CCC(C)(C)C(=O)NC[C@H]1CCC[C@H]1C1CC1 412475392 MQEXHSGRCXYFAJ-KGLIPLIRSA-N 249.398 3.531 30 20 BHED C=CCC[C@@H](CC)NC[C@H](C)CC(F)(F)F 414292604 YPGBACIWSVAFQU-GHMZBOCLSA-N 237.309 3.909 30 20 BHED CC(C)=CCN(CC#N)Cc1ccc(Cl)cc1 439484661 FGJDXFMWRHUHGD-UHFFFAOYSA-N 248.757 3.632 30 20 BHED C=CCC1(C(=O)N2CCC(C=C)CC2)CCCC1 449854299 ITMTXROGLFYLTP-UHFFFAOYSA-N 247.382 3.548 30 20 BHED CC#CCCSCc1cccc(C)c1 462377230 MJJMXJRLJBTUJH-UHFFFAOYSA-N 204.338 3.642 30 20 BHED C=CCC1(C(=O)NCC2(CC)CCCC2)CCC1 477687196 APLSWOGISKNZCN-UHFFFAOYSA-N 249.398 3.819 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@@H](CCC)C(C)C 488825567 YZPZXVNLVXTKMQ-KGLIPLIRSA-N 237.387 3.626 30 20 BHED C=CCC[C@H](CCC)NCCc1ccc(C)o1 532195855 PZXPEAZTXMSEPV-AWEZNQCLSA-N 235.371 3.855 30 20 BHED C=CC[C@H](C)N[C@H](C)C(C)(C)c1ccccc1 537969827 UCCVJBWILGUJSS-UONOGXRCSA-N 231.383 3.907 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1ccncc1CC 539214597 QXIBLGKRIDGSEW-BFHYXJOUSA-N 246.398 3.895 30 20 BHED C=CCCN[C@H](C)c1ccccc1OC(C)C 540325877 IMUALGXMHORIMI-CYBMUJFWSA-N 233.355 3.701 30 20 BHED C[C@@H](CCC#N)CNc1cccc2cc[nH]c12 602616897 RFEWTGXKJMKGKA-NSHDSACASA-N 227.311 3.520 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C[C@@H]2CCC[C@@H]2C)C1 617781414 LTVGWCJBLKNYBD-ZNMIVQPWSA-N 249.398 3.627 30 20 BHED C=CCOC(=O)/C=C(\CC)c1ccc(C)cc1 744042589 UOXDYHSYLHDUDD-ACCUITESSA-N 230.307 3.518 30 20 BHED C#CCCCC(=O)N(CCC(C)C)C1CCCC1 757987604 UDILFTWSFHUNFY-UHFFFAOYSA-N 249.398 3.607 30 20 BHED CCc1ccc(C(C)=NOCC(F)(F)F)cc1 764836383 SOCBQAYKSQEFLV-UHFFFAOYSA-N 245.244 3.552 30 20 BHED C[C@H]1CCCC(=NNC2CCCCC2)[C@H]1C 786042904 COISNNFUBUXMLM-RYUDHWBXSA-N 222.376 3.721 30 20 BHED CCON=C[C@@H](C)c1ccc(C(F)(F)F)cc1 788975660 RDGCTIGARBGHEA-SECBINFHSA-N 245.244 3.831 30 20 BHED CSCCON=C[C@@H](C)CC1CCCCC1 794574374 DWWOIJKIFLBBCF-LBPRGKRZSA-N 243.416 3.958 30 20 BHED COc1cccc(NN=C[C@@H](C)C(C)(C)C)c1 800809150 CVJPWQSYBJNDKD-LLVKDONJSA-N 234.343 3.775 30 20 BHED C=CCCCN(CCCC)Cc1ccccc1O 801597770 OIYNOPICKYNRMO-UHFFFAOYSA-N 247.382 3.961 30 20 BHED C=C(C)CON=C1CC[C@H]1c1ccccc1 844618175 KPPDOFAKFHMERZ-ZDUSSCGKSA-N 215.296 3.513 30 20 BHED CC(C)C(=NNc1ccc(Cl)cn1)C1CC1 853437181 DNKVCSOFADHDKD-UHFFFAOYSA-N 237.734 3.569 30 20 BHED C=CCCCCCN(C)C(=O)c1occ(C)c1C 1117138012 XJBNBNGTRAWHGY-UHFFFAOYSA-N 249.354 3.715 30 20 BHED C=C(Cl)CNCc1cccc(C(C)C)c1 1461233450 MOMIUTPHXIWNKV-UHFFFAOYSA-N 223.747 3.652 30 20 BHED CC[C@H](CC#N)NCC[C@@H]1C[C@@H](C)C[C@@H](C)C1 1559893312 OGAORJSKXBRHLH-CBBWQLFWSA-N 236.403 3.731 30 20 BHED N#Cc1cnc(Oc2cccc(Cl)c2)c(F)c1 1639186232 MDPLWZOCNFDHTM-UHFFFAOYSA-N 248.644 3.538 30 20 BHED C[C@H](NC1CCCCC1)c1ccc(C#N)cc1 19878962 VKOPLXBWFFGZSE-LBPRGKRZSA-N 228.339 3.542 30 20 BHED Cc1cc(C)c(C#N)c(N[C@H]2CCC[C@H](C)C2)n1 25571588 SYSRCJRCQHZFOU-GWCFXTLKSA-N 243.354 3.561 30 20 BHED C[C@@H]1CCC[C@@H](N(C)Cc2cccc(C#N)c2)C1 42240530 PQTQXLPLLYWNLK-CZUORRHYSA-N 242.366 3.569 30 20 BHED N#Cc1ccc(F)c(CSC2CCCC2)c1 61547575 UBJDMMTZRQWSLZ-UHFFFAOYSA-N 235.327 3.873 30 20 BHED CC(C)c1cccc(Nc2cccc(C#N)n2)c1 81617005 GZLFERYNXVCAPE-UHFFFAOYSA-N 237.306 3.820 30 20 BHED C=CCCCSCC(=O)Nc1ccc(C)cc1 117944689 BBHIILAWUHIUDC-UHFFFAOYSA-N 249.379 3.633 30 20 BHED C#CCCCCC(=O)N(CC)[C@H]1CCCC[C@@H]1C 120079327 CHZSCFXOCSVFPT-GJZGRUSLSA-N 249.398 3.607 30 20 BHED CC[C@@H](Cc1ccc(C)cc1)N[C@H](CC)CC#N 133197519 FWVVODGIBGMZHP-CVEARBPZSA-N 244.382 3.598 30 20 BHED C=CCC[C@H](NC(=O)CCC)c1ccccc1 134007262 ZDZNZLZNZPNABW-AWEZNQCLSA-N 231.339 3.610 30 20 BHED N#Cc1ccc(-c2csc(CC3CC3)n2)cc1 149277695 FMUWREAUNRFCMC-UHFFFAOYSA-N 240.331 3.634 30 20 BHED CCCCCCCS(=O)(=O)C(CC)CC 151865682 DAJMJWMFMZGUFV-UHFFFAOYSA-N 234.405 3.560 30 20 BHED C=CCCC(=O)N(C)c1ccc(C(C)C)cc1 155666788 ZXIFOHHMONOBCC-UHFFFAOYSA-N 231.339 3.739 30 20 BHED CC1(C)CCC/C(=C/c2cccs2)C1=O 158987703 AYNSNDTWQWPTIM-KTKRTIGZSA-N 220.337 3.911 30 20 BHED C=CCCN[C@@H](C)c1ccc2ccccc2c1O 161714292 WFJZWIVEVNUMEI-LBPRGKRZSA-N 241.334 3.772 30 20 BHED Cc1cc(F)ccc1CN(CCC#N)CC(C)C 162442632 OCCLHVDYTCPOGD-UHFFFAOYSA-N 248.345 3.506 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc(C)cc1OC 163335925 BEWZVKVBQDLJLT-OLZOCXBDSA-N 233.355 3.619 30 20 BHED C=C[C@](C)(CC)C(=O)N1C[C@H](C)CCC[C@@H]1C 187955027 HAEDDDPYFOOCQI-VNHYZAJKSA-N 237.387 3.626 30 20 BHED C=C[C@@](C)(CC)C(=O)N(C)c1ccc(C)cc1C 188402967 OTKQPVYANSTCQK-INIZCTEOSA-N 245.366 3.869 30 20 BHED CCOc1ccc(C=Nc2ccccc2)c(O)c1 254440404 OYLXRUQQHRPGQJ-UHFFFAOYSA-N 241.290 3.542 30 20 BHED C=CCC(CC=C)C(=O)N(C)[C@@H](C)c1ccco1 268173535 QTEICGRGQQXESR-LBPRGKRZSA-N 247.338 3.567 30 20 BHED C[C@H](CCC#N)Sc1ccc(Cl)cn1 298357945 OUSCPLAOBJWFBP-MRVPVSSYSA-N 226.732 3.519 30 20 BHED C=C(CC)CN[C@H](C)c1c(F)cccc1F 309747137 FVTITARMPDUJIE-SNVBAGLBSA-N 225.282 3.582 30 20 BHED CCC1(CNc2ncc(Cl)c(C)c2C#N)CC1 343504135 CBXBVYDBFXAWFL-UHFFFAOYSA-N 249.745 3.517 30 20 BHED N#Cc1cnccc1/C=C\c1ccc(Cl)cc1 349113047 PPYGIBCTWNONMD-RJRFIUFISA-N 240.693 3.777 30 20 BHED CCN(Cc1ccc(Cl)cc1C#N)C1CCC1 359852163 COWPALSYTVKNPQ-UHFFFAOYSA-N 248.757 3.586 30 20 BHED C=C(C)CSCc1ccc(Cl)cn1 379381850 DGURLFMKGOJARW-UHFFFAOYSA-N 213.733 3.544 30 20 BHED C[C@H]1CCC[C@@H](CCSCCC#N)C1 413016633 WSBFQRKXHKVKDB-RYUDHWBXSA-N 211.374 3.850 30 20 BHED C=CCN(CCC#N)CCC1CCCCCC1 430081019 ACJZPOIAHOBKQP-UHFFFAOYSA-N 234.387 3.749 30 20 BHED CCC[C@H](C)[C@@H]1CCCN1CC1(C#N)CCC1 450497314 FFXQFTFEIHVMLS-KBPBESRZSA-N 234.387 3.581 30 20 BHED C=CCC(C)(C)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 459879943 ZXICOHUZOKGNHC-KBPBESRZSA-N 249.398 3.770 30 20 BHED CC#CCCN(CC)[C@@H](C)c1ccc(F)cc1 462320891 SWGYDACRKRXUMK-ZDUSSCGKSA-N 233.330 3.622 30 20 BHED C=CCCCC(=O)N1CCCC(C)(C)[C@@H]1CC=C 470293650 TULWASBKCMCBIM-AWEZNQCLSA-N 249.398 3.936 30 20 BHED C=CCOCCCSc1ccc(C)cc1 475937513 DYBGGJSVGCAPHM-UHFFFAOYSA-N 222.353 3.680 30 20 BHED C=CCC(C)(C)CNC(=O)[C@H]1CCC[C@@H](C)C1 489711835 GQDKZCXXCIXXAG-OLZOCXBDSA-N 237.387 3.531 30 20 BHED C=CCSCCCc1ccccc1OC 502426163 QIUDPRBSHOUHHT-UHFFFAOYSA-N 222.353 3.547 30 20 BHED C=C(C)CCOc1cccc(Cl)c1F 505540640 QKMNTSDDJWENFX-UHFFFAOYSA-N 214.667 3.824 30 20 BHED C=CCNC(=O)Nc1ccc(CCC(C)C)cc1 521703238 YRKFVXONNGHWLY-UHFFFAOYSA-N 246.354 3.583 30 20 BHED CN(C[C@@H]1CCCC(C)(C)C1)CC(C)(C)C#N 560569712 QFCGUJSAWUOEBI-CYBMUJFWSA-N 236.403 3.684 30 20 BHED C=C[C@@](C)(CC)c1nc(-c2ccc(F)cc2)no1 579159650 VWVXBEKUAGOOSK-AWEZNQCLSA-N 246.285 3.729 30 20 BHED CCCN(Cc1ccccc1)C[C@@H](C)CCC#N 602431809 GWWBIXVLWMJGQU-HNNXBMFYSA-N 244.382 3.838 30 20 BHED CCC(CC)NN=C1CCC[C@@H](C2CC2)C1 737434119 OEWZPGYGLTYJFT-GFCCVEGCSA-N 222.376 3.721 30 20 BHED CC1(CC(=O)OCCCCC#N)CCCCC1 753538349 FMWMKMFFKXUSST-UHFFFAOYSA-N 237.343 3.584 30 20 BHED C=CCC(CC=C)C(=O)OCc1ccccc1F 758514431 QDARJPCBWNAQBD-UHFFFAOYSA-N 248.297 3.637 30 20 BHED C=C(C)CN(C)C(=S)Nc1c(C)cccc1C 777917788 DWAISRLHWJZLKP-UHFFFAOYSA-N 248.395 3.508 30 20 BHED CCC(CC)NN=Cc1ccc(Cl)cc1F 783516914 QAQIWRHLTIUVLR-UHFFFAOYSA-N 242.725 3.591 30 20 BHED Cc1cccnc1NN=C/C=C\c1ccccc1 790193823 OHNUGVYZBVVEFD-PZDRNHEUSA-N 237.306 3.501 30 20 BHED CC1=CC(=NNc2cccc(Cl)n2)CCC1 793163455 LGOORAUHGINQMI-UHFFFAOYSA-N 235.718 3.633 30 20 BHED Cc1ccccc1C(=NOC/C=C\Cl)C1CC1 811667878 FYUZFDVGWPXLPC-KTJIXIAWSA-N 249.741 3.878 30 20 BHED Cc1cccnc1NN=CCC1CCCCC1 814911540 NAKOQHNFTRJZAQ-UHFFFAOYSA-N 231.343 3.758 30 20 BHED CC(C)C#CC(=O)Nc1ccc(C2CCC2)cc1 834663886 XCPBEBUWKZWZRV-UHFFFAOYSA-N 241.334 3.552 30 20 BHED CC(C(=O)O[C@H](C#N)C1CCCCC1)=C1CCC1 838236121 MGDKHXVJYNYRTN-CQSZACIVSA-N 247.338 3.502 30 20 BHED CCCC[C@H](C(=O)OCCCCC#N)C(C)C 856977974 YEGQFBIIWZOOFO-ZDUSSCGKSA-N 239.359 3.686 30 20 BHED C=C[C@@H](CC)CC(=O)O[C@H](CC)c1ccncc1 905931104 MUBHKGWWXZNGDM-GXTWGEPZSA-N 247.338 3.678 30 20 BHED CCCCCCCCCNC(=O)C=C(C)C 913037259 WBSSGGTWVKPXHY-UHFFFAOYSA-N 225.376 3.819 30 20 BHED C=C(Cl)CN1CCC[C@]1(C)CC(C)C 1194534277 PUELHKWZDOYUNL-GFCCVEGCSA-N 215.768 3.640 30 20 BHED C[C@@H]1CCCC[C@H]1C=NNCc1ccc(F)cc1 1323706195 RHBLTVWGIBFFJG-OCCSQVGLSA-N 248.345 3.727 30 20 BHED CCCC[C@@H](CC)CNCc1ccc(C#N)cc1 21009185 VUVGGBAODKWEMM-CQSZACIVSA-N 244.382 3.864 30 20 BHED N#CCCCN1CCC[C@@H]1c1ccc(Cl)cc1 51423093 ZAWLNBDLOGDNMF-CQSZACIVSA-N 248.757 3.781 30 20 BHED O=C(/C=C/c1ccccc1F)c1cccc(F)c1 57435473 RJXGGYZNIKOPNI-CMDGGOBGSA-N 244.240 3.861 30 20 BHED C=CCCCNc1cc(OCC)ccc1OCC 71275342 GKLWPCDVSHEEDO-UHFFFAOYSA-N 249.354 3.862 30 20 BHED C=CC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 118399355 SLHBYPMFWFUVTP-CYBMUJFWSA-N 240.350 3.517 30 20 BHED C=C(C)CSCc1cc(F)ccc1C#N 125776224 OWHBJIMCDRSZBZ-UHFFFAOYSA-N 221.300 3.507 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1oc2ccccc2c1C 132670310 VFIQKXBYMVBHSZ-PWSUYJOCSA-N 229.323 3.966 30 20 BHED CC(C)CC[C@@H](C)NCc1ccc(C#N)s1 135494583 YMMFRZJUBWPJFP-LLVKDONJSA-N 236.384 3.534 30 20 BHED Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1F 185723684 CVWWQHHHCKWLHM-NEPJUHHUSA-N 232.302 3.628 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccc(C)cc1 190124587 GDPLWUVGVMGXHQ-XJKSGUPXSA-N 245.366 3.775 30 20 BHED C=C(CC)CN[C@@H](CC(F)(F)F)C(C)C 309122671 OMGWYTBCWKGVOU-JTQLQIEISA-N 223.282 3.519 30 20 BHED Cc1ccccc1/C(O)=N/[C@@](C)(C#N)CC(C)C 330761336 MXBIBPRCMVUJKE-OAHLLOKOSA-N 244.338 3.628 30 20 BHED N#CCCCN1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 339259713 YAKFJMYAQNNAAQ-VGWMRTNUSA-N 246.398 3.581 30 20 BHED C[C@H](Sc1ccc(C#N)cn1)c1ccccc1 352937545 QLGXQHLNKFRVLQ-NSHDSACASA-N 240.331 3.807 30 20 BHED C[C@H](CC(C)(C)C)NCC(C)(C)CCC#N 384545490 PCQDIXKDPQTTQF-GFCCVEGCSA-N 224.392 3.731 30 20 BHED CCCCCCCCN[C@H]1C[C@@H](C)n2ccnc21 386159152 FDHYZMACUMTGJD-KGLIPLIRSA-N 249.402 3.839 30 20 BHED C#CCCCN[C@H](CCC)C1CCCCC1 390629804 KVYZUQYGTMXWIX-OAHLLOKOSA-N 221.388 3.738 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H]1CCC[C@@H]1CC 450420720 CSCQCXTTYGUFOZ-IHRRRGAJSA-N 237.387 3.674 30 20 BHED C=C(C)CN(CC[C@@H](C)F)Cc1ccccc1 510795080 IKEORONKTMLXHH-CQSZACIVSA-N 235.346 3.813 30 20 BHED C=CCC(C)(C)c1noc(CC(C)(C)C)n1 575887894 QZRRTHNZRIYFMU-UHFFFAOYSA-N 222.332 3.512 30 20 BHED CCCC[C@H](C)N(C)Cc1cc(C#N)cs1 577152517 NNIXEMUZECYJOM-NSHDSACASA-N 236.384 3.630 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C[C@@H]1CCCC[C@@H]1C 577693377 PTVAJVJXHAXJPG-SOUVJXGZSA-N 249.398 3.770 30 20 BHED CC(C)(C#N)CNC1CCC(=C2CCC2)CC1 602614197 MMKCXZQXTJMNIT-UHFFFAOYSA-N 232.371 3.549 30 20 BHED CCC(CC)(CC)C(=O)Nc1cccc(C#N)c1 610752622 AUEAZFULQVKUNJ-UHFFFAOYSA-N 244.338 3.713 30 20 BHED CCC#C[C@@H](C)N[C@@H](C)c1cc2ccccc2o1 680405027 WQUCUVPEDOVPOA-OLZOCXBDSA-N 241.334 3.885 30 20 BHED C=CCCN(C)Cc1ccc(N(CC)CC)cc1 739902087 FPEFAWBDFYPENO-UHFFFAOYSA-N 246.398 3.541 30 20 BHED CCCCCC[C@@H](C)NN=Cc1occc1C 743449768 AYJOVLSNCFIMDW-CYBMUJFWSA-N 236.359 3.870 30 20 BHED C#CCCCN[C@@H]1CCCc2c(Cl)cccc21 756613207 ZHXHEDYVOUEYPD-OAHLLOKOSA-N 247.769 3.720 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C 779914038 SDNVZCQTJKLBIB-SOUVJXGZSA-N 249.398 3.511 30 20 BHED CC[C@H]1CCCCC1=NNc1ncccc1F 794982752 ACUNMRDFFGJCEQ-JTQLQIEISA-N 235.306 3.589 30 20 BHED CC(C)CCC(=NNc1ncccc1F)C1CC1 794989852 DWNDANLAFUNIPJ-UHFFFAOYSA-N 249.333 3.835 30 20 BHED CC(C)[C@H]1CC(=NN[C@@H](C)C(C)(C)C)CS1 814938530 NLSPHYBXMPMKKQ-CMPLNLGQSA-N 242.432 3.528 30 20 BHED C=CCCC(C)=NNc1ccc(F)c(F)c1F 814946776 XVDYRDUCXNKQGQ-UHFFFAOYSA-N 242.244 3.858 30 20 BHED C=C(CC)CN[C@H](CC)c1ccc(F)cc1O 834904144 VPIPQKQAJODZMO-CYBMUJFWSA-N 237.318 3.538 30 20 BHED C=C[C@H](OC(=O)CC1CC(F)(F)C1)C(C)(C)C 835391611 PGHOPSWAASPIAM-JTQLQIEISA-N 246.297 3.566 30 20 BHED CC(=NNc1cccc(Cl)c1)c1ccccn1 916269424 NEWCYPYMRJBEPW-UHFFFAOYSA-N 245.713 3.571 30 20 BHED N#Cc1cccnc1NCC1CCCCCCC1 917092931 HLOGTZQOINDHLP-UHFFFAOYSA-N 243.354 3.726 30 20 BHED CCCCCCCCCNC(=O)N1CC[C@@H]1C 920041870 OZDVLTDIKYQZNB-ZDUSSCGKSA-N 240.391 3.541 30 20 BHED COc1ccc(C)cc1C(C)=NOC(C)(C)C 1320326005 UQVCKFDXVTYHCA-UHFFFAOYSA-N 235.327 3.543 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)[C@H](C)CC 1337679148 IZKZJVQAXKLVHM-HZSPNIEDSA-N 237.387 3.626 30 20 BHED CC[C@H](CC#N)NCCC1C[C@@H](C)C[C@H](C)C1 1559893313 OGAORJSKXBRHLH-KCQAQPDRSA-N 236.403 3.731 30 20 BHED CC(C)CN(Cc1cccc(C#N)c1)CC(C)C 41636083 WIJICZOQBKPEIO-UHFFFAOYSA-N 244.382 3.672 30 20 BHED CC[C@H](CC#N)NC1CCC(C(C)(C)C)CC1 54181956 HMTVYLOSTFFLDV-ROKHWSDSSA-N 236.403 3.873 30 20 BHED CC(C)(C)CN(CCC#N)Cc1ccc(F)cc1 78642950 SHPYDGASYBKUOZ-UHFFFAOYSA-N 248.345 3.587 30 20 BHED C#CCCCCN[C@H](C)CCc1cccc(F)c1 90398425 MOAMTXOZTKOWBF-CQSZACIVSA-N 247.357 3.540 30 20 BHED C[C@@H](SCc1ccon1)c1ccc(C#N)cc1 122893765 YBBMWMHNMPPEPW-SNVBAGLBSA-N 244.319 3.541 30 20 BHED C=CCC[C@@H](NCc1ccsc1)C1CC1 125291636 BSGXUAQMPSINLQ-CYBMUJFWSA-N 221.369 3.583 30 20 BHED C=C(Cl)CNC1CCC2(CCCC2)CC1 161371013 YPFUFYKECGLCEY-UHFFFAOYSA-N 227.779 3.832 30 20 BHED C=CC[C@H](C)N[C@@H](C)CCc1cccc(C)c1 163327482 IOAHHENWKRTZID-GJZGRUSLSA-N 231.383 3.870 30 20 BHED CC[C@@H](N[C@H](C)CC#N)c1ccc(Cl)cc1 170806647 ZJOIESOKAWMIAQ-ZWNOBZJWSA-N 236.746 3.683 30 20 BHED C=CCCCC(=O)N(CC1CC1)c1ccccc1 175379336 BVNSXQCITIWWIL-UHFFFAOYSA-N 243.350 3.786 30 20 BHED CC(C)(CN[C@@H]1CCC[C@H](C#N)C1)C1CCCC1 185870898 BZSODERFRVKFMG-DZGCQCFKSA-N 248.414 3.875 30 20 BHED C[C@H]1CCCCC1=NNc1ccc([N+](=O)[O-])cc1 254443894 UVSPQCRAUVCTBP-JTQLQIEISA-N 247.298 3.573 30 20 BHED CCc1ccc(C(=O)/C=C\c2ccc(F)cc2)o1 255651121 QDTVPBRDVYGQDT-UITAMQMPSA-N 244.265 3.877 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(Cl)cc1C 294249244 CSRQOIYFMQHWMK-UHFFFAOYSA-N 237.730 3.799 30 20 BHED C#CCCCCN[C@@H]1C[C@@H](C)CC[C@H]1CC 309689424 IROFVWPTCQQCRL-RRFJBIMHSA-N 221.388 3.594 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1ccccc1 310506507 STHUQKXNEVPOKF-ZDUSSCGKSA-N 217.356 3.940 30 20 BHED Cc1cnc(N=C(O)C(C2CCC2)C2CCC2)[nH]1 329579051 WMNNAAUHDCNPOX-UHFFFAOYSA-N 247.342 3.523 30 20 BHED CC[C@H]1CC[C@@H](C)N1Cc1ccc(CC#N)cc1 343707316 HSAOHUMNRNAACI-CJNGLKHVSA-N 242.366 3.516 30 20 BHED Cc1cc(C)cc(CSCC2(C#N)CC2)c1 344452690 DKLGFOZRMXPTTE-UHFFFAOYSA-N 231.364 3.840 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)c1cnn(C)c1C 352930857 UQBYTKAVVUSIJS-STQMWFEESA-N 249.402 3.514 30 20 BHED C=C(CC)CN[C@@H](C)c1cccc(C)c1C 381243945 NWBGYDJHXKJIJD-AWEZNQCLSA-N 217.356 3.920 30 20 BHED C=CCC[C@H](NC[C@H]1CC[C@@H](C)C1)C1CC1 381308751 MCPIZVILSGSAGR-IPYPFGDCSA-N 221.388 3.757 30 20 BHED C=CC[C@H](CC)NCc1cccc(OCC)c1 393767847 QSUSXLNAKASDNA-AWEZNQCLSA-N 233.355 3.530 30 20 BHED CC(C)C[C@@H](C)CN(C)Cc1ccc(C#N)cc1 410310455 LPDJJZFJHLKRHJ-CQSZACIVSA-N 244.382 3.672 30 20 BHED CC[C@@H](N[C@@H](C)CCC#N)c1ccc(C)cc1 411436695 IFUCVLKBJITWKJ-DZGCQCFKSA-N 230.355 3.728 30 20 BHED C=CCC[C@H](CCC)N[C@@H]1C[C@H]1c1ccco1 414333816 HXDBLSOTFKHLPA-BFHYXJOUSA-N 233.355 3.860 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]1CCC 451249997 QPHMPZFVJSLETD-RRFJBIMHSA-N 249.398 3.770 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@](C)(CC)CCC 466530251 QAIDFXDAYUMUOE-TZMCWYRMSA-N 225.376 3.674 30 20 BHED C=CCCC(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 469751698 KCSYYHTUZTYPRE-UONOGXRCSA-N 237.387 3.674 30 20 BHED C=C(C)CCc1noc(-c2ccccc2Cl)n1 508661846 KWUAYTPRPGLSAI-UHFFFAOYSA-N 248.713 3.899 30 20 BHED C=CC[C@H](CC)NC(=O)C[C@@H]1CCCC[C@@H]1C 517753850 MOBPAMZDSRQACE-IHRRRGAJSA-N 237.387 3.674 30 20 BHED C=CCCCC[C@H](C)NCc1ccc(OC)cc1 557886327 GSYXOYLBJPULCS-AWEZNQCLSA-N 247.382 3.920 30 20 BHED [N-]=[N+]=Nc1c(F)cc(F)cc1Br 585142796 YLWDFUSFVGSINJ-UHFFFAOYSA-N 234.003 3.669 30 20 BHED C=CCCSCCN[C@H](C)c1ccc(C)o1 595058255 FVNYTYNMHGATRP-GFCCVEGCSA-N 239.384 3.548 30 20 BHED C=CCCC[C@@H](C)NC(=O)C1CCC=CCC1 635771029 RIYRVEPTYXUBHJ-CYBMUJFWSA-N 235.371 3.594 30 20 BHED C=C(C)CN(C)C(=O)c1ccc(CC(C)C)cc1 679204674 PRMMBXPMWJMUQJ-UHFFFAOYSA-N 245.366 3.533 30 20 BHED CC(C)CC(CC(C)C)=NNC1CCCC1 727651999 AKOSEVSDAQBSTH-UHFFFAOYSA-N 224.392 3.967 30 20 BHED C=CCCCOC(=O)[C@@H](C)CC1CCCC1 735535379 GHRSGTHGRSHJMI-LBPRGKRZSA-N 224.344 3.712 30 20 BHED C=C(C)COC(=O)[C@@H](C)CCCCCC 744040066 CFTJWLGVJRHDSY-LBPRGKRZSA-N 212.333 3.712 30 20 BHED CC(=NOCc1ccccc1)c1ccsc1 749099279 NJLVEWUYDZZYNT-UHFFFAOYSA-N 231.320 3.689 30 20 BHED N#C[C@H]1CC[C@H](Nc2ccc3ccccc3c2)C1 799720354 GEKIPVMMCFQPOM-WFASDCNBSA-N 236.318 3.944 30 20 BHED C=CCCCCOC(=O)c1ccc(SC)o1 811010484 UFYZHPJRNSXQDC-UHFFFAOYSA-N 240.324 3.515 30 20 BHED C#CCON=CCCCCCCCCC 812234147 RWTDCMMAOXFXEA-UHFFFAOYSA-N 209.333 3.763 30 20 BHED CC(C)OCCON=C(CC(C)(C)C)C1CC1 812238989 KNKXVTRZZBDLQG-UHFFFAOYSA-N 241.375 3.630 30 20 BHED C[C@H](C=NOCC1CC1)CCc1ccccc1 814244023 XQWMBEAPLWFGIG-ZDUSSCGKSA-N 231.339 3.668 30 20 BHED Clc1cccc(CC=NOCCC2CC2)c1 814245494 UWSORHZCEADHSV-UHFFFAOYSA-N 237.730 3.685 30 20 BHED C=CCCCCCCNC(=O)[C@H](C)C(C)(F)F 816661389 MDSAPIQMXXLLBW-NSHDSACASA-N 247.329 3.530 30 20 BHED N#C[C@@H]1CCC[C@@H](OC(=O)CC2CCCCC2)C1 839041533 DJFHEEXGLFHXHA-ZIAGYGMSSA-N 249.354 3.582 30 20 BHED C[C@H](CC(C)(C)C#N)OC(=O)[C@@]1(C)CC=CCC1 851206180 PCWPLOVBPRHJHU-DOMZBBRYSA-N 249.354 3.604 30 20 BHED CC[C@@H](CON=Cc1cccs1)CC(F)F 853640404 FHNXFAGHCNZZRX-SECBINFHSA-N 247.310 3.780 30 20 BHED CCCCCCCCC(=O)N(C)[C@@H](C)C1CC1 891262461 RLVZQJYZCALQPV-ZDUSSCGKSA-N 239.403 3.994 30 20 BHED C=C[C@H](CC)CC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 933005484 ORHFRVSKAFAMDD-TUVASFSCSA-N 249.398 3.768 30 20 BHED CC[C@@H]1CCC[C@@H]1CNc1cccc(F)c1C#N 1307123724 QFSBUSZVEGIKOM-VXGBXAGGSA-N 246.329 3.936 30 20 BHED CC(C)[C@@H]1CCCCCN1C[C@@H](C)CCC#N 1308641698 LXPMKXRUQYYLBA-GJZGRUSLSA-N 236.403 3.827 30 20 BHED CCCCCCCCC(=O)NCCC(F)F 1348656383 YJONSKWISWWAQV-UHFFFAOYSA-N 235.318 3.508 30 20 BHED CCN(C[C@@H](C)CCC#N)c1ccccc1C 1658907615 XMVLNCPXWNIYQI-ZDUSSCGKSA-N 230.355 3.761 30 20 BHED N#Cc1ccc(NCC2CCCCC2)cc1 19950878 VAOQVWLMUDZDOW-UHFFFAOYSA-N 214.312 3.550 30 20 BHED CC[C@H](CC#N)NC1CC(c2ccc(C)cc2)C1 54183482 RRWXFXSESRVSIN-HWOWSKLDSA-N 242.366 3.523 30 20 BHED CC1CCC(CNc2cccc(F)c2C#N)CC1 89575736 XBNORMKYKKRCHR-UHFFFAOYSA-N 246.329 3.936 30 20 BHED C#CCCCCN[C@@H](C)[C@H](C)c1ccccc1 90399133 ZDWXVBJLONQFPD-GJZGRUSLSA-N 229.367 3.572 30 20 BHED CC(C)[C@@H](C)N[C@@H](CCC#N)c1ccccc1 90665871 WCFFNCAQQMUDHE-HIFRSBDPSA-N 230.355 3.666 30 20 BHED CCCCCCCCS[C@@H](C)CCO 116773607 MHSVKQTVOZLCTA-LBPRGKRZSA-N 218.406 3.851 30 20 BHED CCCCCCCCCCN[C@H]1CCOC1 123470576 WLCLNLFDUCVJGV-AWEZNQCLSA-N 227.392 3.506 30 20 BHED C#Cc1cccc(NC(=O)c2c(C)cccc2C)c1 151597751 BTZOSNPZBJXOIO-UHFFFAOYSA-N 249.313 3.537 30 20 BHED CCCCCCCn1ccc(=O)c2ccccc21 153863425 CGGCBYSQZZCWMW-UHFFFAOYSA-N 243.350 3.972 30 20 BHED C=CC[C@@H](C)N[C@H]1CCc2ccc(C)cc21 161653723 XQCURIFTRWJSBW-DOMZBBRYSA-N 215.340 3.537 30 20 BHED N#CCSCCCSC1CCCCC1 174003455 BILXPBNUPCQPLU-UHFFFAOYSA-N 229.414 3.699 30 20 BHED C=CCCC(=O)N1CCC[C@@H](C)c2ccccc21 183155988 TUFQIDWBYKJNFE-CYBMUJFWSA-N 243.350 3.883 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1cnn(C(C)C)c1C 281468489 FDOXYZHVZQSUED-OCCSQVGLSA-N 249.402 3.778 30 20 BHED C=CCC(C)(C)CNC(=O)c1occc1C(C)C 293854209 VGJLSEUQVLHAQW-UHFFFAOYSA-N 249.354 3.735 30 20 BHED CCC(CC)(CC)CNc1ccc(C#N)cn1 301663055 YPIAJPMSWBLPCL-UHFFFAOYSA-N 231.343 3.582 30 20 BHED C=CCCC[C@H](C)Nc1ccc(C#N)cc1 302026465 QKBUOCBWYZLWDV-LBPRGKRZSA-N 214.312 3.715 30 20 BHED C=C(C)CNc1nc(-c2cccs2)cs1 309007215 QGVFCLXJBXLOHD-UHFFFAOYSA-N 236.365 3.860 30 20 BHED N#CC1(CN2CCCC[C@@H]2c2ccco2)CCC1 336194507 KIQZPLHCZZRTOE-CYBMUJFWSA-N 244.338 3.500 30 20 BHED N#C[C@H]1CCC[C@@H](Nc2ccc3ccoc3c2)C1 336574413 IILRCWMPRNGEAV-WCQYABFASA-N 240.306 3.927 30 20 BHED C=CCC[C@@H](CCC)NCCSC(C)C 380344996 SVBGQLWJANSCQJ-CYBMUJFWSA-N 229.433 3.853 30 20 BHED C=C(C)CNC(=O)Nc1cccc2ccsc12 429347259 WPGCCFIUBREASM-UHFFFAOYSA-N 246.335 3.599 30 20 BHED CC(C)(C)[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)CC1 429678635 GGSKMRILFRYIAP-RRFJBIMHSA-N 248.414 3.827 30 20 BHED C=CCC(CC=C)C(=O)N[C@H]1C[C@@]1(CC)C(C)C 457282339 MYQFQKPLQMNNBT-HOCLYGCPSA-N 249.398 3.696 30 20 BHED C=CCCC[C@@H](C)NC1CC2(CCC2)C1 459456015 DPZIGNMKVWHMKA-GFCCVEGCSA-N 207.361 3.654 30 20 BHED C=C(C)CSCc1cccc([N+](=O)[O-])c1C 477007102 DMSAFWFZQDAQIX-UHFFFAOYSA-N 237.324 3.713 30 20 BHED C=C(C)CSCc1ccn(C2CCCC2)n1 477372477 LTEJLRDTESDBMQ-UHFFFAOYSA-N 236.384 3.808 30 20 BHED CCN(C[C@H](C)C#N)C[C@@H]1CCCC(C)(C)C1 535787436 SIKSAUGNHKERRH-ZIAGYGMSSA-N 236.403 3.684 30 20 BHED CC#CCN[C@@H](c1cccc(F)c1)C(C)(C)C 540424323 JXQZQJHZBFHOQQ-AWEZNQCLSA-N 233.330 3.526 30 20 BHED CC[C@H]1CCCC[C@@H]1c1noc(C(C)(C)C#N)n1 551533541 AAMHKWXKRCVEAL-QWRGUYRKSA-N 247.342 3.555 30 20 BHED C=CC[C@H](C)N[C@@H](Cc1ccccc1C)C1CC1 560246026 YNCFAZMGRBYXGG-YOEHRIQHSA-N 243.394 3.870 30 20 BHED C=CCCCCN[C@@H](C)c1csc(CC)n1 566050227 HNEOCIBIBWVUFC-NSHDSACASA-N 238.400 3.712 30 20 BHED C=C(C)CCNc1cc(NC(=O)CC)ccc1C 567647915 GNQFXQMBXKBLEY-UHFFFAOYSA-N 246.354 3.722 30 20 BHED C=CC[C@H](C)NC(=S)Nc1ccc(C)c(C)c1 734988067 VRKBEDYVXOKQPZ-LBPRGKRZSA-N 248.395 3.554 30 20 BHED C=C(Cl)CSc1ccc(COC)cc1 747813239 HCRJQPIOHCVLRD-UHFFFAOYSA-N 228.744 3.678 30 20 BHED CC[C@H]1CCCC(=NOCC(F)(F)F)C1 764836114 PXLHPDNZVLPYKT-QMMMGPOBSA-N 223.238 3.522 30 20 BHED C#CCC(C)(C)C(=O)Oc1ccc(CCC)cc1 767102685 LNKRILJTCXCUOF-UHFFFAOYSA-N 244.334 3.594 30 20 BHED C=C(Cl)CN[C@H]1CC[C@H](Cc2ccccc2)C1 780530210 SEIDBXCOXIJRIT-CABCVRRESA-N 249.785 3.740 30 20 BHED C[C@H]1CCCC(=NOC2CCCC2)[C@H]1C 781124283 CSYHDNCLKJKMNJ-QWRGUYRKSA-N 209.333 3.758 30 20 BHED C=CCCN(C)C(=O)C=C(CCC)CCC 786223853 SOGZHIJSZIRBJZ-UHFFFAOYSA-N 223.360 3.548 30 20 BHED C=CCNN=C(C)c1ccc(SC(C)C)cc1 794992751 GQXOSSXBXFROLM-UHFFFAOYSA-N 248.395 3.687 30 20 BHED C=C(C)COC(=O)c1ccc(C(C)(F)F)cc1 796266095 ARJDUZCSDSZLDV-UHFFFAOYSA-N 240.249 3.531 30 20 BHED N#CCCCC(=O)O[C@@H]1CC[C@H]2CCCC[C@H]2C1 812824780 LJVZEDLHXNALER-HZSPNIEDSA-N 249.354 3.582 30 20 BHED Cc1cc(C)cc(NN=C2CCS[C@H]2C)c1 814753778 ZLVGZMUZYVELMO-NSHDSACASA-N 234.368 3.597 30 20 BHED C(CC1CCCCC1)=NOC1CCCC1 814895045 SZXDOZVSXWXHQT-UHFFFAOYSA-N 209.333 3.902 30 20 BHED N#CC1(CC(=O)OC2CCCCC2)CCCCC1 850741676 TZILUEJGWCRXLE-UHFFFAOYSA-N 249.354 3.726 30 20 BHED CCCCCCCCC(=O)N[C@H]1C=CCC1 855422157 PCPWQZZEAIMJKC-ZDUSSCGKSA-N 223.360 3.572 30 20 BHED CC(C)C=NNc1ccnc2cc(Cl)ccc12 864358854 FZTBMTVAFRTKHZ-UHFFFAOYSA-N 247.729 3.942 30 20 BHED CCCCCCCSc1nccn1CC 915794306 YYHALVLVCRENQC-UHFFFAOYSA-N 226.389 3.966 30 20 BHED CCCNN=Cc1ccc(-c2ccccc2)s1 1115850117 DUOPTPVWDBFTMO-UHFFFAOYSA-N 244.363 3.749 30 20 BHED C#CCCN1CCC[C@H]1c1cccc(Cl)c1 1324492091 RAYUUBRBZFOTMC-AWEZNQCLSA-N 233.742 3.500 30 20 BHED C=C1CCC(C(=O)N2CCC[C@H](C(C)C)C2)CC1 1334935841 XGCGQUSRWATIJF-HNNXBMFYSA-N 249.398 3.627 30 20 BHED C=C(CC)C(=O)Nc1cccc(COC(C)C)c1 1348580831 NYGCOQNZTOEXII-UHFFFAOYSA-N 247.338 3.516 30 20 BHED C=C(C)CCC(=O)Nc1ncsc1C(C)C 1353690942 ZQQOKFFEFNJMCR-UHFFFAOYSA-N 238.356 3.561 30 20 BHED CC[C@H](C#N)S[C@H]1CCOc2ccccc21 1559385479 NAZXYLRTTWNJBA-MFKMUULPSA-N 233.336 3.546 30 20 BHED CCC[C@@H](C)[C@@H]1CCCN1CC1(CC#N)CC1 1559647495 IYOPLYKAZJNDPU-KGLIPLIRSA-N 234.387 3.581 30 20 BHED C[C@H]1CCCC[C@H]1COc1ccc(C#N)cc1F 1651870174 LMQPUJYZRHXZAY-AAEUAGOBSA-N 247.313 3.902 30 20 BHED C[C@H](CC#N)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 1663172175 ZNHGJARRYSDQJF-HZSPNIEDSA-N 236.403 3.873 30 20 BHED Cc1ccsc1CNc1ccccc1C#N 19921432 FZVAPNKRFGEGEM-UHFFFAOYSA-N 228.320 3.540 30 20 BHED C[C@@H](N(C)Cc1cc(C#N)ccc1F)C(C)(C)C 55481937 NKRIXTZSDLOVMK-LLVKDONJSA-N 248.345 3.564 30 20 BHED CC(C)CCN(C)c1ccc(C#N)c(Cl)c1 61850988 PEDPWBHLQBQDSI-UHFFFAOYSA-N 236.746 3.694 30 20 BHED CC(C)CC[C@H](C)NCc1ccc(C#N)cc1F 70186166 QIANGGUSKNECRD-LBPRGKRZSA-N 248.345 3.612 30 20 BHED C=CCCCN[C@H](CC)c1ccccc1 70592241 IJCNCQABAZSOJO-CQSZACIVSA-N 203.329 3.694 30 20 BHED CC(C)(C#N)CCN1CCC[C@H]1c1ccsc1 119895979 VMWXNNURIUMSKW-ZDUSSCGKSA-N 248.395 3.825 30 20 BHED CC(=O)c1ccc(OCCC(C)(C)C#N)c(C)c1 123182555 VSLSTOIURUARTK-UHFFFAOYSA-N 245.322 3.516 30 20 BHED CCCCCCC(=O)Nc1sccc1C#N 127676206 GAJVLDSYZDTCDS-UHFFFAOYSA-N 236.340 3.529 30 20 BHED CC(C)(CCC#N)CNCCCc1ccccc1 135123884 GFNHQNYMEUTDSO-UHFFFAOYSA-N 244.382 3.539 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 157259392 ZVQXFZQASYXFNM-RKDXNWHRSA-N 227.710 3.704 30 20 BHED C=CCCCC(=O)Nc1ccc(C)cc1OCC 177558563 QRPMJAWFONORDS-UHFFFAOYSA-N 247.338 3.689 30 20 BHED C[C@H](NCCCCC#N)c1ccc2c(c1)CCC2 178642960 IZQWYEPBPAQIJU-ZDUSSCGKSA-N 242.366 3.520 30 20 BHED C#CCCCC(=O)N[C@H]1CCC[C@@H]1CCC(C)C 192109335 NSVGCAWUNKKGKU-CABCVRRESA-N 249.398 3.511 30 20 BHED C=CCCN(C)C(=O)Nc1ccccc1CCC 276342055 SERTUJBMXNGZCF-UHFFFAOYSA-N 246.354 3.679 30 20 BHED C=CC[C@@H](C)N[C@H](CC)c1ccc(F)cc1O 286105177 MTFVHUOMDUYFOV-ZWNOBZJWSA-N 237.318 3.537 30 20 BHED C=C(C)CCNc1ccc(OCC)cc1C 309900318 HILMNLBOXSSBTP-UHFFFAOYSA-N 219.328 3.772 30 20 BHED C=CCC[C@@H](CCC)N[C@@H]1CCC(F)(F)C1 309995779 CCDJVPJJUPQFFJ-VXGBXAGGSA-N 231.330 3.899 30 20 BHED N#Cc1cccc(NCCCc2ccsc2)c1 360898037 ZRRLMTYICQLNQA-UHFFFAOYSA-N 242.347 3.664 30 20 BHED N#Cc1ccc(Cl)cc1N[C@H]1CCC[C@H]1F 382159448 SIKIYHIMLJHLAR-MNOVXSKESA-N 238.693 3.514 30 20 BHED C=C(C)CCNCc1ccc(OC(C)C)cc1 386823661 UOALPNFORREDNN-UHFFFAOYSA-N 233.355 3.530 30 20 BHED C=CC[C@H](C)[C@H](C)NC[C@H]1CCC[C@H]1C 389878283 MVQCYFRNIXGJJD-RFQIPJPRSA-N 209.377 3.613 30 20 BHED C=CC[C@H](C)[C@H](C)NC[C@H](C)CC(F)(F)F 414259862 FYKXVGBADUWZAM-VWYCJHECSA-N 237.309 3.765 30 20 BHED C=CCC[C@@H](CC)NC1CCC(COC)CC1 414308263 IAQZUDFNRDTLPO-SHARSMKWSA-N 239.403 3.526 30 20 BHED C=CCC(C)(C)CN[C@@H](C)C1(OC)CCCC1 421852358 HDUCLIJGWUOGMW-ZDUSSCGKSA-N 239.403 3.526 30 20 BHED C=C[C@@H](C)NCc1cc(OC)c2ccccc2c1 449196655 YSPHLICRYYMLLQ-GFCCVEGCSA-N 241.334 3.513 30 20 BHED C=C(CC)CNC[C@H](C)c1cc(F)cc(F)c1 449735652 RMMPTKYUWJDWJF-NSHDSACASA-N 239.309 3.624 30 20 BHED CC(C)C[C@@]1(C)CCCN1CCC(C)(C)C#N 451291667 QLQXURNOOYHMCW-OAHLLOKOSA-N 236.403 3.827 30 20 BHED C=CCCc1noc(C2(CC=C)CCCC2)n1 453218597 KMINSIMSZOYVFR-UHFFFAOYSA-N 232.327 3.576 30 20 BHED CC(C)C[C@H]1CCC[C@H](NCCCCC#N)C1 474726794 HWOCTLPXPRLYGK-CABCVRRESA-N 236.403 3.875 30 20 BHED CC(C)=CCC[C@@H](C)CCN(C)[C@@H](C)CC#N 482161712 FKOVORBLUULLRV-CABCVRRESA-N 236.403 3.993 30 20 BHED C=C(C)CCc1noc(-c2ccc(Cl)cc2)n1 508661515 JXBDXUMWYLNQMX-UHFFFAOYSA-N 248.713 3.899 30 20 BHED C=CCN(CC1CCCCC1)C(=O)C[C@@H]1C[C@@H]1C 521946012 RWSCPQBOUABSDK-ZFWWWQNUSA-N 249.398 3.627 30 20 BHED C=CCCSCc1cc(F)cc(F)c1 527107518 QWYXZQULXKOOLI-UHFFFAOYSA-N 214.280 3.774 30 20 BHED C=CCC[C@@H](CC)NCc1noc2ccccc12 576836351 BJMVMWMBVISWMS-GFCCVEGCSA-N 244.338 3.662 30 20 BHED CC(C)(C)C#Cc1nc2ccccc2s1 585143926 UGPWGSWYBGVMQK-UHFFFAOYSA-N 215.321 3.694 30 20 BHED CCC(CC)CN(CCC#N)C[C@@H](C)CCC#N 602466673 ZERGBUMUGPNTGO-AWEZNQCLSA-N 249.402 3.578 30 20 BHED CCC[C@H]1CCCC[C@H]1Nc1ncccc1C#N 609120381 HEVCQEZGVKNGBJ-GXTWGEPZSA-N 243.354 3.724 30 20 BHED C=C(Cl)COC(=O)c1ccc(C)c(Cl)c1 728672175 OLTCDBBSKJGWHF-UHFFFAOYSA-N 245.105 3.558 30 20 BHED CC(=NNc1cccc(C(F)(F)F)n1)C(C)C 739421036 BUZNASUJGPHZNN-UHFFFAOYSA-N 245.248 3.544 30 20 BHED CC[C@H]1CCCC1=NNc1cccc(OC)c1 758372774 AUYVGMGPWCBONI-NSHDSACASA-N 232.327 3.673 30 20 BHED Cc1cc(Cl)ccc1C=NNC1CCCC1 767379520 YLIMGEOJWLPOIP-UHFFFAOYSA-N 236.746 3.515 30 20 BHED CC[C@@H](CC(=O)OCCC(C)(C)C#N)C(C)C 776388536 WTADXZRHFSBFTN-LBPRGKRZSA-N 239.359 3.542 30 20 BHED C[C@H]1CC/C(=C/C(=O)OCCCC(C)(C)C#N)C1 784071164 OCNUAVZXJZJFCE-IXJPEXDMSA-N 249.354 3.606 30 20 BHED CC(C)[C@H]1CCCC1=NNC1CCCCC1 786043855 ZWSLMCWEJWWORB-CYBMUJFWSA-N 222.376 3.721 30 20 BHED CC(=NOC/C=C\Cl)C1CCCCC1 811672131 QUGRMZASNNACGS-VDJUHVHYSA-N 215.724 3.712 30 20 BHED Clc1ccc2c(C=NOC3CCC3)c[nH]c2c1 812236409 LWGLHHRKGIHHNO-UHFFFAOYSA-N 248.713 3.724 30 20 BHED CC(=NOCCOC(C)C)[C@H](C)c1ccccc1 812238197 VJBGPHWGJDLGSN-ZDUSSCGKSA-N 249.354 3.608 30 20 BHED Fc1cccc(NN=Cc2ccc(Cl)o2)c1 814814800 ALVBZAOQIPQASX-UHFFFAOYSA-N 238.649 3.518 30 20 BHED CC(=NNc1ccccn1)[C@@H]1CCCC[C@H]1C 834923849 FAJGOJVXDVMFGA-DGCLKSJQSA-N 231.343 3.696 30 20 BHED CCC(CC)NN=C1CCC(CSC)CC1 834959747 PUCMTLXYFFDALI-UHFFFAOYSA-N 242.432 3.674 30 20 BHED C=CC(C)(C)CCOC(=O)[C@@H]1CCC(F)(F)C1 851300320 QVRFBGQZHOHBRS-SNVBAGLBSA-N 246.297 3.567 30 20 BHED CCON=C(C)CCc1c[nH]c2ccccc12 872339892 DBFSITGSAYINBR-UHFFFAOYSA-N 230.311 3.513 30 20 BHED C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CCC 879469848 JZMNHNYNZRYFNR-ZDUSSCGKSA-N 237.387 3.770 30 20 BHED C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H](C)CC 1337140930 DTDXKOWSVKWNLB-KBPBESRZSA-N 237.387 3.770 30 20 BHED C=C(CC)C(=O)Nc1c(C)cc(C)cc1C 1527473553 GOABYKSJXCGOSO-UHFFFAOYSA-N 217.312 3.517 30 20 BHED COc1cccc(C(=O)/C=C/c2ccsc2)c1 57437953 SHPBGKRBENJVDX-AATRIKPKSA-N 244.315 3.653 30 20 BHED CCCCCNc1nc2ccccc2cc1C#N 71385730 UDWXKDPRONPCHV-UHFFFAOYSA-N 239.322 3.709 30 20 BHED Cc1ccc(Oc2cccc(C#N)n2)c(Cl)c1 81621828 YJBRDEVEGNUMFJ-UHFFFAOYSA-N 244.681 3.707 30 20 BHED C=CCCC(=O)O[C@@H](C)c1ccc(F)cc1F 102506232 SAVFXPAJHPWLAD-VIFPVBQESA-N 240.249 3.535 30 20 BHED C=CCC[C@H](C)NCc1cccc(OCC)c1 130554704 UNNQPSJURWUJNI-ZDUSSCGKSA-N 233.355 3.530 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1nccs1 133094696 CWFULXSSIRIUFT-GHMZBOCLSA-N 224.373 3.539 30 20 BHED CCC[C@@H](Cc1ccccc1)N[C@H](CC)CC#N 133194229 WPURANGRAWKFLG-CVEARBPZSA-N 244.382 3.680 30 20 BHED C=CCCC[C@@H](C)NCc1ccc(Cl)o1 133572717 AKSFGXVPAPXMLD-SNVBAGLBSA-N 227.735 3.767 30 20 BHED CC(C)c1cnc(SCCC#N)n1C(C)C 152005520 QVMOEQBXBVKDGE-UHFFFAOYSA-N 237.372 3.593 30 20 BHED C=CCC(CC=C)C(=O)N1CC[C@H](C)C[C@H](C)C1 157855676 ITPWSWHDEPTTLH-KBPBESRZSA-N 249.398 3.649 30 20 BHED C=CC[C@H](C)N[C@H](CC(C)C)c1ccccn1 180951678 RBUBNUGOKIPIGP-DZGCQCFKSA-N 232.371 3.723 30 20 BHED C[C@H]1C[C@H](C)CC[C@@H]1NCc1ccc(C#N)s1 226266143 UBKYHFXMWDNCHQ-SUNKGSAMSA-N 248.395 3.534 30 20 BHED C=CCS[C@H](C)[C@@H](C)SCC=C 307960209 VSJQFINBCUQGOK-NXEZZACHSA-N 202.388 3.602 30 20 BHED N#CCCCCN[C@@H]1CCCCC12CCCC2 310226152 GUKHPPSRWGKCEY-CQSZACIVSA-N 234.387 3.773 30 20 BHED CC1(C)CC[C@@H](Nc2cccc(CC#N)c2)C1 313432173 XUZQBUFXYLWCDS-CQSZACIVSA-N 228.339 3.743 30 20 BHED C/C=C/c1ccc(NC(=O)CC(C)(C)C#N)cc1 345680833 LLVPRQZBTQLDJS-SNAWJCMRSA-N 242.322 3.598 30 20 BHED C=CCN(CCC#N)Cc1ccc(C)cc1Cl 428853338 YKPAFKMXXKBNPV-UHFFFAOYSA-N 248.757 3.550 30 20 BHED C=CC1CCN(CCC(C)(C)CC)CC1 441399423 ZHDSWPSYTINSIK-UHFFFAOYSA-N 209.377 3.711 30 20 BHED CC(C)[C@@H]1CCCN(CCCC(C)(C)C#N)C1 444772586 WDHRMNMQKCSTLR-CQSZACIVSA-N 236.403 3.684 30 20 BHED C=C(CC)CN[C@H](C)c1cccc([N+](=O)[O-])c1C 453351135 IBPMZXOPNKITNX-GFCCVEGCSA-N 248.326 3.520 30 20 BHED C=CC[C@H](CC)NC(=O)[C@H]1CCCC[C@H]1CC 466532461 SUZLWLIPLLYCSZ-RDBSUJKOSA-N 237.387 3.674 30 20 BHED C=C(C)CN(C)CCCc1ccc(Cl)cc1 481231233 QWKWRUYTLSLESA-UHFFFAOYSA-N 237.774 3.781 30 20 BHED C=C(C)CN(C)CCc1c(F)cccc1Cl 481273935 ZJIBDURGZFPFJA-UHFFFAOYSA-N 241.737 3.530 30 20 BHED C=CCCCCCN(C)C(=O)[C@@H]1CC[C@@H](C)C1 540656924 RAUVVOIZITYRIP-ZIAGYGMSSA-N 237.387 3.627 30 20 BHED CC#CCCCc1nc([C@H](C)C(C)(C)C)no1 554808148 YFGPBBAKGIRYMY-NSHDSACASA-N 234.343 3.565 30 20 BHED C=CCCN1CCCC[C@H]1c1ccccc1 558831251 IQRCYZGUDUCTHN-HNNXBMFYSA-N 215.340 3.790 30 20 BHED C=CCCSC[C@@H](OC)c1ccc(F)cc1 600623897 SQPVARAOMCBDEP-CYBMUJFWSA-N 240.343 3.823 30 20 BHED C=CCCCOC(=O)[C@H](CC)CCCC 735529596 FUUVMANHLNJMRP-GFCCVEGCSA-N 212.333 3.712 30 20 BHED C=CCCN(C)c1ccc(C)c(Cl)c1 739915388 OMTQMUJWIRNEHS-UHFFFAOYSA-N 209.720 3.661 30 20 BHED CCC1(C)CCC(=NOCc2cccnc2)CC1 746585597 HXIJYKSOXZJGKB-UHFFFAOYSA-N 246.354 3.945 30 20 BHED CC[C@@H]1CCCC1=NNc1ccc(C#N)cc1 758373332 WJMGPIQVWXPEOY-GFCCVEGCSA-N 227.311 3.536 30 20 BHED CC[C@@H]1C[C@@H](C)CCC1=NNc1ccccn1 769568748 KLAFJBSOFPBLHJ-NWDGAFQWSA-N 231.343 3.696 30 20 BHED C[C@@H]1CCCC(=NOCCC(F)(F)F)[C@@H]1C 777458285 HKRABKSRJJKFQI-RKDXNWHRSA-N 237.265 3.768 30 20 BHED CC1=CCC[C@@H](C)[C@H]1C=NOCCC(F)(F)F 777462774 LTSQFLMCNLTKQM-MNOVXSKESA-N 249.276 3.934 30 20 BHED C=CCN(CCCc1ccccc1OC)C(C)C 780284353 CNWJMHSTEOPLCF-UHFFFAOYSA-N 247.382 3.524 30 20 BHED CCCC[C@@H]1CCCC1=NNc1ccnc(F)c1 781130274 RMCCZLPAHPCZSL-LLVKDONJSA-N 249.333 3.979 30 20 BHED C=CCN(C[C@@H](C)c1ccc(F)cc1)C(C)C 783529663 NQPJGGJIDRSLDI-CYBMUJFWSA-N 235.346 3.826 30 20 BHED C[C@H](NN=C1CCC[C@H]2C[C@@H]12)c1ccccc1 800811567 ZWHHIYAXYYDDHQ-FPMFFAJLSA-N 228.339 3.513 30 20 BHED CC[C@@H]1CCC1=NNCc1ccc(Cl)cc1 807976478 MKCIOVCGXGOEDI-LLVKDONJSA-N 236.746 3.606 30 20 BHED C#Cc1ccc(CNc2cc(C)cc(F)c2)cc1 809598658 QUOIRTCUGCCWST-UHFFFAOYSA-N 239.293 3.728 30 20 BHED C[C@@H](CC=NOC/C=C\Cl)c1ccccc1 811668567 HSJATKMSHRHJDV-HADPBALLSA-N 237.730 3.935 30 20 BHED C=CCCCCCCCNc1ncc(F)cn1 811847897 IYTJWDDOWSXCHI-UHFFFAOYSA-N 237.322 3.554 30 20 BHED C=C(CC)CN[C@H]1C[C@H](C)c2c(F)ccc(O)c21 834901602 ADBIODIEQRMPFB-JQWIXIFHSA-N 249.329 3.635 30 20 BHED CC(=NOCc1ccccc1)c1ccccc1F 839419735 TWHYOTWVPQCEIH-UHFFFAOYSA-N 243.281 3.767 30 20 BHED Cc1cc(F)ccc1[C@H](C)NCC(C)(C)CC#N 840788123 WAGSDJHUBRBGPE-LBPRGKRZSA-N 248.345 3.725 30 20 BHED C=C(C)[C@H](C)OC(=O)c1ccsc1Cl 853114925 BAMIEBRMWFMUGM-ZETCQYMHSA-N 230.716 3.523 30 20 BHED C#CC1CCC(=NNc2cc(F)cc(F)c2)CC1 853292212 QADIDRNIVCPKEF-UHFFFAOYSA-N 248.276 3.556 30 20 BHED CC[C@H]1CCCC1=NNc1ccccc1[N+](=O)[O-] 916661295 UPYRIPZZJSUHNT-JTQLQIEISA-N 247.298 3.573 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)CC(C)(C)C1CC1 1120732952 BUAHMEYPQBYTQR-CQSZACIVSA-N 249.398 3.770 30 20 BHED CC(C)N(CCC(C)(C)C#N)c1cccc(F)c1 1196285668 PTYLWCKNGMCUEV-UHFFFAOYSA-N 248.345 3.980 30 20 BHED CC(C)C[C@@H]1CCCCN1CC1(CC#N)CC1 1473252660 RBVSYYFCRKFJNA-AWEZNQCLSA-N 234.387 3.581 30 20 BHED CCC1(CC)CCN(C[C@@H](C)CCC#N)CC1 1474454173 ZJUYHMPLJQPPOV-AWEZNQCLSA-N 236.403 3.828 30 20 BHED CC[C@@H](NCCC(C)(C)C#N)c1ccccc1 87591902 BHHYKVHNIXVCEQ-CQSZACIVSA-N 230.355 3.667 30 20 BHED C[C@@H]1CCC[C@@H](CNc2cccc(F)c2C#N)C1 89605664 ABYPWIPJAGVKKP-VXGBXAGGSA-N 246.329 3.936 30 20 BHED C=CCCOCCN[C@@H](C)c1cccc(C)c1C 90884066 YJSSSBLBQOHJOP-HNNXBMFYSA-N 247.382 3.547 30 20 BHED C=CCN[C@H](c1ccccc1)C(C)(C)C 97079237 ALPXUWQAELGYPE-CYBMUJFWSA-N 203.329 3.549 30 20 BHED CCC(CC)CNc1ccc(C#N)cc1F 112828003 AHPHJKFHBVMMBR-UHFFFAOYSA-N 220.291 3.545 30 20 BHED C=CCC(CC=C)C(=O)NCCC1=CCCCC1 121351582 MCNFPMAWBKQNBB-UHFFFAOYSA-N 247.382 3.762 30 20 BHED C=CCC[C@@H](C)N[C@H](C)CCc1ccccc1 130507713 GNMRKIINTCYPSK-HUUCEWRRSA-N 231.383 3.952 30 20 BHED CC#CCN[C@@H](C)c1cc(Cl)ccc1Cl 160564925 UHAOVOSMKQBRRG-VIFPVBQESA-N 242.149 3.667 30 20 BHED CC(C)C1CCC(N[C@@H]2CCC[C@@H](C#N)C2)CC1 185862239 VRLNLWWGTQYLCV-PRLABOORSA-N 248.414 3.873 30 20 BHED Cc1cncc(CSc2ccccc2C#N)c1 189850255 HKTBGGRAQDMYDH-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C[C@H]1CCC[C@@H]1CNc1cccc(F)c1C#N 230684161 XIGSUIGYSJFSAH-WDEREUQCSA-N 232.302 3.545 30 20 BHED C=C(C)CN(CC)CCOc1cc(C)ccc1C 248273490 XGXFFIKRFJQUCR-UHFFFAOYSA-N 247.382 3.580 30 20 BHED CC(C)=CCCN[C@H](C)c1cccc(C#N)c1 276647649 UGSUORVRKINVNG-CYBMUJFWSA-N 228.339 3.565 30 20 BHED COCCCCS[C@@H](C)c1cccc(C#N)c1 285079371 MGDUOPHFBJTKOA-LBPRGKRZSA-N 249.379 3.779 30 20 BHED CCCCCC(C)=NOC/C=C/Cl 308378274 TZCVCSKCBGBOJR-IIXGYHIASA-N 203.713 3.712 30 20 BHED C=CCN[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 310365162 LVBXKUIZBODJDY-CWRNSKLLSA-N 229.367 3.734 30 20 BHED C=CCCN(C)Cc1ccc(C(C)C)nc1CC 339116328 KXEPSTVKOUXRKO-UHFFFAOYSA-N 246.398 3.775 30 20 BHED CCCCCCC[C@@H](C)NCc1cocn1 381406556 SMIDLCBBXNFJBQ-GFCCVEGCSA-N 224.348 3.513 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(OC)cc1 393758440 JPGKODZIINTFDK-GXTWGEPZSA-N 233.355 3.701 30 20 BHED N#C[C@@H]1CC[C@H](SCC2CCCCC2)C1 430106125 YGJVAYMVKNIDGQ-OLZOCXBDSA-N 223.385 3.992 30 20 BHED C[C@H](F)CCN[C@@H](CCCC#N)c1ccccc1 433023046 ZAQHHOGVMYIFEN-ZFWWWQNUSA-N 248.345 3.759 30 20 BHED C=C(CC)CNCc1ccc(C(F)(F)F)s1 449733339 HRGBXUIXHLDRSW-UHFFFAOYSA-N 249.301 3.823 30 20 BHED C=CC[C@@H](CC)NC(=O)C1(CC=C)CCCC1 451628044 ZNDRNNKNQXCAMZ-CYBMUJFWSA-N 235.371 3.594 30 20 BHED CC[C@H](C)[C@@H](C)N(CCC(C)(C)C#N)C1CC1 537365112 CXNWQGZJTDPXNM-QWHCGFSZSA-N 236.403 3.825 30 20 BHED C=CCCCNc1c(C)cccc1OC(F)F 607150049 YZPYARXGEZPBCL-UHFFFAOYSA-N 241.281 3.975 30 20 BHED C=CCN(C(=O)C[C@@H](C)c1ccco1)C(C)(C)C 637408705 VANKRKREMXQBCC-GFCCVEGCSA-N 249.354 3.586 30 20 BHED C=C(C)COC(=O)[C@@H](Cc1ccccc1)C(C)C 740264495 SXNGOHGPEUCPLJ-HNNXBMFYSA-N 246.350 3.621 30 20 BHED CCC(=NNc1ccc2ccccc2n1)C1CC1 741160630 WJQCDZQLYLCGBB-UHFFFAOYSA-N 239.322 3.823 30 20 BHED C=C(C)CCOC(=O)C[C@H]1CCCC[C@H]1C 744304672 WTQRIRHJVNGUQG-CHWSQXEVSA-N 224.344 3.712 30 20 BHED CC1(C)CCCC[C@H]1NN=C1CCCCC1 773126121 RUJVZXIKUFVILT-CYBMUJFWSA-N 222.376 3.865 30 20 BHED C[C@@H]1CCCC(=NOC2CCCCC2)C1 777458241 ARVMMQNCVSVYFW-LLVKDONJSA-N 209.333 3.902 30 20 BHED C[C@@H]1CCCC[C@@H]1C=Nn1cnc2ccccc21 783815866 JTZMTGJGGADSDH-CHWSQXEVSA-N 241.338 3.697 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CCC[C@@H](C)CC1 785613255 LZUHRBXXJXGPMB-HUUCEWRRSA-N 249.398 3.655 30 20 BHED C#C[C@@H](CCC)NC(=O)C(C)(C)CCCCC 791750840 RSALYAZTLOTSSS-ZDUSSCGKSA-N 237.387 3.511 30 20 BHED COc1cccc(NN=C[C@@H](C)CC(C)C)c1 799106640 LOULIBYWNYMFOX-LBPRGKRZSA-N 234.343 3.775 30 20 BHED C=C(C)CCNc1ccc(OC(C)C)c(C#N)c1 809190652 PGJUYFLCNPJTGT-UHFFFAOYSA-N 244.338 3.724 30 20 BHED C#CCON=C(C)C1(c2ccccc2)CCCC1 812234141 RTTSDCADWCYZRH-UHFFFAOYSA-N 241.334 3.524 30 20 BHED FC(F)(F)c1cscc1C=NOCC1CC1 814241163 JESYUDWPTPGGJK-UHFFFAOYSA-N 249.257 3.527 30 20 BHED CC(C)CCCCC(=O)OCCC(C)(C)C#N 838430209 JWIVIZRSILAQDP-UHFFFAOYSA-N 239.359 3.686 30 20 BHED C[C@H]1CCCCN1N=C1CCCC12CCC2 853381780 LGNTWPSSFKVUKW-LBPRGKRZSA-N 220.360 3.571 30 20 BHED C=C[C@@](C)(CC)COC(=O)C1(C)CC(F)(F)C1 873522514 ATFFSAAKZAJCJB-NSHDSACASA-N 246.297 3.567 30 20 BHED CCCC1CCN(CC(C)(C)CCC#N)CC1 1319947824 NHJVRIBKWRMOOE-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C#CCCCCC(=O)NC[C@@H]1CCCC[C@H]1CC 1324465572 GKUSTVKLTBUFBC-CABCVRRESA-N 249.398 3.513 30 20 BHED CCC[C@@H](Nc1cccc(C#N)n1)C1CCCC1 1472804165 WVZLMKUUMMZNTO-CQSZACIVSA-N 243.354 3.724 30 20 BHED CC[C@H](CC#N)N[C@@H](C)c1ccc(Cl)cc1 49525553 RTARJKILVWUDEP-GXFFZTMASA-N 236.746 3.683 30 20 BHED Cc1ccc([C@@H](C)NCCC(C)(C)C#N)s1 83638513 PXSRIBMVRKQBRL-LLVKDONJSA-N 236.384 3.647 30 20 BHED CCCCCCCCN(CC)CCC#N 88239367 FSMCYCAKLPGJJP-UHFFFAOYSA-N 210.365 3.582 30 20 BHED N#CCC1(CNc2cccc3ccccc23)CC1 88249389 VDIBBPZMTIOUFC-UHFFFAOYSA-N 236.318 3.946 30 20 BHED N#Cc1ccc(OCC2CCCC2)cc1Cl 90808879 HCNAZNXLAFRCET-UHFFFAOYSA-N 235.714 3.781 30 20 BHED CCC1(CC)CCN(c2ccc(C#N)cc2)C1 94802825 TXYRTGAAEYHVEX-UHFFFAOYSA-N 228.339 3.575 30 20 BHED C=CCCCS[C@H](C)C(=O)Nc1ccccc1 117944649 UCQDTRZKDOCDTD-GFCCVEGCSA-N 249.379 3.713 30 20 BHED C[C@@H](c1ccco1)N(CCC(C)(C)C#N)C1CC1 119897713 IXCGBZQAQDZNSX-LBPRGKRZSA-N 246.354 3.745 30 20 BHED C=CCCN(C)[C@H](C)c1ccc(F)c(F)c1 132445937 OUWUCNKAEWCRHA-SNVBAGLBSA-N 225.282 3.534 30 20 BHED CCCCCCCCN(C)C[C@H]1CCCOC1 158041579 WYHXCLKYEQGZCF-OAHLLOKOSA-N 241.419 3.705 30 20 BHED CC(C)C1CCN(CCCC(C)(C)C#N)CC1 174876609 ZIWUCZYXVMRLOY-UHFFFAOYSA-N 236.403 3.684 30 20 BHED Cc1ccc(N[C@@H]2CCC[C@H](C#N)C2)c(F)c1 185732599 BWOXIGBTQWWLLY-NWDGAFQWSA-N 232.302 3.628 30 20 BHED N#Cc1ccc(CNCC2CCCCCCC2)o1 237840676 YXPOOPPMDSRQME-UHFFFAOYSA-N 246.354 3.601 30 20 BHED C[C@H]1CC[C@@H](C)N1c1ccc(C#N)c(Cl)c1 301873580 GARDFINDKTXJCG-AOOOYVTPSA-N 234.730 3.589 30 20 BHED C=C(C)CN(C)[C@@H](CC)Cc1ccccc1 303958514 YKVDYJURSDCUHG-HNNXBMFYSA-N 217.356 3.516 30 20 BHED Cc1nc(N[C@H]2CCCC(C)(C)C2)ccc1C#N 310954413 ALGZGSGFCYXPPR-ZDUSSCGKSA-N 243.354 3.642 30 20 BHED C[C@H]1CCC[C@@H](CNc2cccc(CC#N)c2)C1 313484793 WJVSXJOODWSLDX-DZGCQCFKSA-N 242.366 3.991 30 20 BHED Cc1csc(N=C(O)[C@@H]2C[C@H]2C2CC2)c1C#N 329591424 YXRMVXSCBAWSRZ-VHSXEESVSA-N 246.335 3.562 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1ccncc1F 338372029 PFDKZRBBTHQNOJ-RYUDHWBXSA-N 236.334 3.616 30 20 BHED Cc1c(C#N)cccc1NCc1ccc(F)cc1 354751315 PQBACNMTYKCMSX-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=CCCCCN[C@@H](C)c1nc(C)sc1C 380569242 NYRSUGLLJNHHGW-JTQLQIEISA-N 238.400 3.767 30 20 BHED C=CCCCN[C@](C)(CC)c1ccccc1 381350232 BNEJPMXFNNUVCN-OAHLLOKOSA-N 217.356 3.868 30 20 BHED C=CCCCCCN[C@@H](C)[C@@](C)(OC)C1CC1 411970654 NOROUBALWSFURL-DZGCQCFKSA-N 239.403 3.526 30 20 BHED C=C(CC)CN(C)[C@@H](C)c1cccc(C#N)c1 425543083 ZASUBQKAPJPPPF-ZDUSSCGKSA-N 228.339 3.517 30 20 BHED C=CCN(Cc1ccccc1F)C[C@@H](F)CC 440701314 KLGGDTJFMLFWIB-ZDUSSCGKSA-N 239.309 3.562 30 20 BHED C=C(CC)CNC(=O)[C@H](C)CCC(C)(C)C 456812633 NVQMLLVZWKNYFH-GFCCVEGCSA-N 225.376 3.531 30 20 BHED C=CCCCC(=O)N1CC[C@@H](CC(C)(C)C)C1 457005654 DEGWLLOASDDKHM-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C=CC[C@@H](C)NC(=O)[C@]1(C)CC[C@H](C)C1(C)C 457583950 WGYMORFXXUKWGC-ZOWXZIJZSA-N 237.387 3.530 30 20 BHED C=CCCCCCN(C)C(=O)[C@@H]1C[C@H]1CCC 462142423 UMKFFVMWPUYRMB-ZIAGYGMSSA-N 237.387 3.627 30 20 BHED C=CCCN(C)c1nc(-c2ccccc2)cs1 466401277 ZGIRONGDIMIAMV-UHFFFAOYSA-N 244.363 3.822 30 20 BHED C=CC[C@@H]1N(C(=O)CC(C)C)CCCC1(C)C 470291199 XYKPTXVNOYOLRE-ZDUSSCGKSA-N 237.387 3.626 30 20 BHED C=CCCC1(C(=O)N2CCC[C@@H](CCC)C2)CC1 476298383 GDQODGOPDOICEU-CQSZACIVSA-N 249.398 3.772 30 20 BHED CCCCC[C@@H]1CCCN1c1ccc(C#N)cn1 486923662 IGLVRFMEHQPKRF-CQSZACIVSA-N 243.354 3.502 30 20 BHED C=CCCCCCN(C)CCC(C)(C)C#N 540666835 GIDZRJHINIIAKL-UHFFFAOYSA-N 222.376 3.604 30 20 BHED C=CCC(C)(C)c1nc(CC2CCCC2)no1 556371633 PJTVKICXQZBEAU-UHFFFAOYSA-N 234.343 3.656 30 20 BHED CC1(C)CC[C@@H]1NCCC1(C#N)CCCCC1 582495308 DOJCGPASUPYIJK-ZDUSSCGKSA-N 234.387 3.629 30 20 BHED CC(C)C(N[C@H](C)c1cccc(C#N)c1)C(C)C 611438866 XQOOEXMLGZMUTP-CYBMUJFWSA-N 244.382 3.889 30 20 BHED CCCCCCCC(=O)N[C@@H]1CCC[C@@H]1C 729447166 BTPOOSVBVAWORA-QWHCGFSZSA-N 225.376 3.652 30 20 BHED CCCCCCCSc1cnccn1 746389892 JBOLXFKYTZSXLW-UHFFFAOYSA-N 210.346 3.539 30 20 BHED C=CCCCOC(=O)C[C@@H](C=C)c1ccccc1 758913398 JNPKEFWFDLTYDU-CQSZACIVSA-N 244.334 3.856 30 20 BHED CCON=C(C)c1cc2cccc(OCC)c2o1 767463727 GNSHMVWEKZRFAB-UHFFFAOYSA-N 247.294 3.592 30 20 BHED C[C@@H](C=NOCCC(F)(F)F)c1ccccc1 777461458 XYEVGQODGXFZFF-JTQLQIEISA-N 245.244 3.745 30 20 BHED Cc1cccc(/C=C/C(=O)c2cncs2)c1C 787171184 IHQLHSMTCKTEBO-VOTSOKGWSA-N 243.331 3.656 30 20 BHED CC[C@H](C)CON=C1CCC2(CC1)CC2 793146336 QFOQJISVHTXMFE-NSHDSACASA-N 209.333 3.759 30 20 BHED Clc1cccc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)n1 793162456 SLPHOTYCJKGIQT-GARJFASQSA-N 249.745 3.569 30 20 BHED CCCCCC=NOCc1ccccc1OC 799117007 GQIFWTMSFYWPQT-UHFFFAOYSA-N 235.327 3.778 30 20 BHED CCCCCCCC(=O)N[C@H]1CCC[C@@H]2C[C@H]12 838258732 GIJBHSHUZJWRAI-RDBSUJKOSA-N 237.387 3.652 30 20 BHED CCCCCC[C@H](C)NCC(C)(C)CC#N 839163503 NLTYDMGLNVHFKC-ZDUSSCGKSA-N 224.392 3.875 30 20 BHED C[C@]1(C=NOC/C=C/Cl)C[C@@H]1c1ccccc1 841638548 DISOGZDFMNKDDJ-FYCABQRSSA-N 249.741 3.935 30 20 BHED CCCON=C(C)c1ccc(Cl)s1 842565111 CCPVRIVIKKYXDS-UHFFFAOYSA-N 217.721 3.552 30 20 BHED CCCCCCCCC(=O)N(CC)C1CC1 912769391 MCMDPFSMYISUME-UHFFFAOYSA-N 225.376 3.748 30 20 BHED Oc1ccc(Cl)cc1/C=N/CC1CCCC1 914701769 OZIZKPOVAYSWAW-OQLLNIDSSA-N 237.730 3.655 30 20 BHED Cc1ccc(C=NNc2ccc(C#N)cc2)cc1C 915961297 FBDKHMGMMIGODG-UHFFFAOYSA-N 249.317 3.621 30 20 BHED Oc1ccc(N=Cc2cc(Cl)ccc2O)cc1 920944347 BRXKWQZVKWNIBU-UHFFFAOYSA-N 247.681 3.502 30 20 BHED CC[C@@H]1CCCC[C@@H]1CNc1cccc(C#N)n1 1307128741 FGIAWMKDCIULSV-CHWSQXEVSA-N 243.354 3.582 30 20 BHED CC(C)=CCCOC(=O)CC1(C#N)CCCCC1 1333299101 PDMMVQUFQPISCB-UHFFFAOYSA-N 249.354 3.750 30 20 BHED CC[C@H]1CCCC[C@H]1N(C)CC1(CC#N)CC1 1645303196 IPADLZDHPFBCLJ-UONOGXRCSA-N 234.387 3.581 30 20 BHED CC(C)CSCCCOc1ccc(C#N)cc1 37143743 YZSRLIKIMBXDID-UHFFFAOYSA-N 249.379 3.716 30 20 BHED CCN(CCC(C)C)[C@H](C)c1ccc(C#N)cc1 60477301 XEFXMKJQSXEVNA-CQSZACIVSA-N 244.382 3.987 30 20 BHED O=C(/C=C/c1ccsc1)c1ccccc1F 78281394 IRFAFKHDFALESG-AATRIKPKSA-N 232.279 3.783 30 20 BHED C[C@H]1CCC[C@@H](C)N(CC(C)(C)CCC#N)C1 93509364 FBVAXQOZEBAHRK-UONOGXRCSA-N 236.403 3.827 30 20 BHED C#Cc1cccc(NC(=O)C2(C)CCCCC2)c1 124678430 WNHQXVFZZMPSDB-UHFFFAOYSA-N 241.334 3.577 30 20 BHED C=CCC[C@H](C)Nc1ccccc1N(C)C 126896863 YQZPBROWHYEEGD-LBPRGKRZSA-N 218.344 3.519 30 20 BHED C=CCC[C@H](Nc1cccc(F)c1)C1CC1 134125256 PKRZBPZFEOAINR-AWEZNQCLSA-N 219.303 3.982 30 20 BHED Cc1cccc(NCC(C)(C)CCC#N)c1F 181127467 XQKNJEPNGGOJDA-UHFFFAOYSA-N 234.318 3.876 30 20 BHED C=CCCC(=O)Nc1cccc(C(C)(C)C)c1O 185828545 VNDBIUZZONQIMA-UHFFFAOYSA-N 247.338 3.594 30 20 BHED C#CCCCCNc1ncc(Cl)cc1Cl 229736491 JGVYOTGXBZIDMO-UHFFFAOYSA-N 243.137 3.604 30 20 BHED C#CCCCCN[C@H](C)c1cc(C)ccc1C 229739792 OWFMUZWHDVFRMP-OAHLLOKOSA-N 229.367 3.758 30 20 BHED C#CCCCN[C@H]1CCC(C)(C)c2ccccc21 232802001 AHHMKEVQHADFAX-INIZCTEOSA-N 241.378 3.802 30 20 BHED C/C=C\CSCc1cc(F)ccc1C#N 254954139 GHDNMLCDZACLBC-IHWYPQMZSA-N 221.300 3.507 30 20 BHED Cc1ccccc1C(=O)/C=C\c1cccc(C#N)c1 255918099 UIEJIXVIRWCUCN-KTKRTIGZSA-N 247.297 3.763 30 20 BHED C=C(C)CCSc1c(OC)cccc1OC 276550831 FJPNFECKZGUYJD-UHFFFAOYSA-N 238.352 3.762 30 20 BHED C[C@@H]1CN(c2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 302132653 CGQMMDZBXOPGBF-WQVCFCJDSA-N 240.350 3.573 30 20 BHED CC[C@@H]1CCCC[C@H]1C(O)=Nc1ccnnc1C 330137517 UXTSNTQZHDHSJJ-VXGBXAGGSA-N 247.342 3.589 30 20 BHED C=C(CC)CNc1ccc(-c2cncnc2)cc1 358666524 OOKGSOJIWHUOHS-UHFFFAOYSA-N 239.322 3.522 30 20 BHED C=CCCCCCCN[C@H]1CCO[C@H](CC)C1 383781808 PGEOZQQRLGURMO-LSDHHAIUSA-N 239.403 3.670 30 20 BHED C[C@@H]1CN(CCCCC(C)(C)C#N)[C@H](C)[C@H]1C 399657153 KFVXQKVYIHQBGI-HZSPNIEDSA-N 236.403 3.683 30 20 BHED C=CC[C@@H](CC)NC(=O)C1C[C@H]2CCC[C@H](C1)C2 410143765 DUOGRIDBGXVAJZ-KCQAQPDRSA-N 249.398 3.674 30 20 BHED CSCc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1 442865294 HSWPLBJNXONARI-GXTWGEPZSA-N 246.379 3.654 30 20 BHED C[C@H](CC(C)(C)C)NCCc1cccc(C#N)c1 449302151 JFHLDDJMTAWVSO-CYBMUJFWSA-N 244.382 3.515 30 20 BHED Cc1c(Cl)cnc(NC2(C)CCCC2)c1C#N 544066292 QSZITJJTVLVQIO-UHFFFAOYSA-N 249.745 3.660 30 20 BHED CCC[C@@H](CC)Sc1snc(C)c1C#N 580237353 MDWGKNFZQLGQEF-SECBINFHSA-N 240.397 3.994 30 20 BHED Cc1cccc(/C=C\C(=O)c2ccncc2)c1C 588386387 MDYKTOZFMIELLP-SREVYHEPSA-N 237.302 3.595 30 20 BHED N#C[C@@H](Sc1ccc(Cl)cc1)C1CC1 601068456 BWCMRVBOGAIGGF-LLVKDONJSA-N 223.728 3.734 30 20 BHED CCCCCN(C[C@H](C)CCC#N)C(C)C 602441309 XBYGUVFXLHCVDW-CQSZACIVSA-N 224.392 3.827 30 20 BHED CC[C@@H](NC[C@H](C)CCC#N)c1ccc(C)cc1 602500487 ZLNFNSQDJXLIGW-GDBMZVCRSA-N 244.382 3.976 30 20 BHED C[C@@H](c1ccccc1)[C@@H](C)NC[C@H](C)CCC#N 602564667 NKSLWXOTYMYCPU-RBSFLKMASA-N 244.382 3.708 30 20 BHED CC[C@H](CC(=O)Nc1cccc(C#N)c1)C(C)C 609159812 XBOTVSTWCPJSPW-CYBMUJFWSA-N 244.338 3.569 30 20 BHED C=CC[C@H](C)NC(=O)[C@@H](CCCC)C(C)C 621872017 GFVRSSQVXYHMRZ-STQMWFEESA-N 225.376 3.530 30 20 BHED C=CCCCCCN(C)Cc1cc(C)ccn1 683010650 JYZOBOIRFKPMLK-UHFFFAOYSA-N 232.371 3.568 30 20 BHED C#Cc1cccc(NC[C@@H](CC)CC(F)F)c1 688709815 MMVNHUNBPSTIHU-LBPRGKRZSA-N 237.293 3.761 30 20 BHED CCC(=NNCCCc1ccccc1)C(C)C 729147526 AWENTFARDRGPLL-UHFFFAOYSA-N 232.371 3.631 30 20 BHED C=CC[C@H](C)NC(=O)N[C@H](C)CCCCCC 735089679 AJNSRTXVXVNXPS-QWHCGFSZSA-N 240.391 3.609 30 20 BHED CC(C)C(=NN[C@H](C)c1ccccc1)C1CC1 750935819 GYHGYCBNXFNSJT-GFCCVEGCSA-N 230.355 3.759 30 20 BHED C=C[C@@H](C)NC(=O)[C@H](CCCCC)C(C)C 757012525 KIVVEYOMWJGWFC-CHWSQXEVSA-N 225.376 3.530 30 20 BHED C#CCCCOc1cnccc1-c1ccccc1 766114187 POSGHEPVXZBIPM-UHFFFAOYSA-N 237.302 3.541 30 20 BHED C#CCCCNc1ccc2c3c(cccc13)CC2 766728862 AEBXGVYUYNNTDC-UHFFFAOYSA-N 235.330 3.764 30 20 BHED CC(=NOC1CCCC1)c1ccc(C)cc1 774603107 MBWLZWJQEDDGII-UHFFFAOYSA-N 217.312 3.678 30 20 BHED C=C(C)CN(C)C(=O)CCCCCC(C)C 778121057 GWSJXUKQRVUKKP-UHFFFAOYSA-N 225.376 3.627 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 779776248 NQLHABRLNZWDCU-RRFJBIMHSA-N 249.398 3.511 30 20 BHED C=CCCN(C)[C@@H]1CCc2cc(Cl)ccc21 796029086 XRFAEJGOSUAORD-CQSZACIVSA-N 235.758 3.835 30 20 BHED C=C(C)CCNc1ccc(OC(F)F)cc1F 809189011 AEGCOLXGDAMQET-UHFFFAOYSA-N 245.244 3.805 30 20 BHED C[C@@H]1SCCC1=NNc1ccccc1Cl 814690963 HETNQVFHWXIFLV-QMMMGPOBSA-N 240.759 3.633 30 20 BHED C[C@@H](C=NNc1ccnc(F)c1)C1CCCCC1 814902765 UTTRTKDBTRBSEN-NSHDSACASA-N 249.333 3.835 30 20 BHED C=C[C@H]1CCCCN1CC[C@@H]1CC1(Cl)Cl 822977196 QAZLNJPJIFLMJY-MNOVXSKESA-N 248.197 3.611 30 20 BHED C=CCCC(=NOCC1CCC1)C1CC1 853439829 SDLYTMWQXAIKGA-UHFFFAOYSA-N 207.317 3.535 30 20 BHED CC(C)n1cncc1/C=C1\CCCC(C)(C)C1=O 901483552 ROLCRGGLNYKHSV-XYOKQWHBSA-N 246.354 3.627 30 20 BHED C=C/C=C\CCSCC1(CC#N)CC1 902452655 LCIZPCGERNLORE-ARJAWSKDSA-N 207.342 3.546 30 20 BHED Fc1ccccc1C=NNc1ccc(Cl)cc1 916247073 YETYUTWFQGVPKZ-UHFFFAOYSA-N 248.688 3.925 30 20 BHED CCN(CCC(C)(C)C#N)Cc1ccccc1F 1337289127 LTGGIOAUUXONDD-UHFFFAOYSA-N 248.345 3.587 30 20 BHED CC(C)[C@H](NCCCCC#N)c1ccc(F)cc1 57627969 ZYQJIGXGRCKAON-HNNXBMFYSA-N 248.345 3.806 30 20 BHED CCCCCCCCCNC(=O)C(C)(C)C 108668389 PIHZYLWWXFLGDJ-UHFFFAOYSA-N 227.392 3.899 30 20 BHED C[C@@H](CN(CC#N)C1CCCC1)c1ccccc1 156589438 ZXSJAVLLIFLZII-AWEZNQCLSA-N 242.366 3.558 30 20 BHED C=C(CC)CNC(C)(C)CCc1ccccc1 163666083 VESOEHYEGXLBQX-UHFFFAOYSA-N 231.383 3.954 30 20 BHED N#CCC1(COC(=O)C2CCCCCCC2)CC1 174734246 YVJXROCIZMKCGG-UHFFFAOYSA-N 249.354 3.584 30 20 BHED C=CCCC(=O)N(CC1CCC1)c1ccccc1 175399553 ILALQUAHTVTDRU-UHFFFAOYSA-N 243.350 3.786 30 20 BHED CCCCCCCCC(=O)O[C@@H](C#N)CC 176002623 MIKXYKJCNSKCOJ-GFCCVEGCSA-N 225.332 3.582 30 20 BHED CC#CCCCC(=O)N[C@H]1CCC(C)(C)C[C@@H]1C 185773723 VZVZJSQPGXCCJC-KBPBESRZSA-N 249.398 3.511 30 20 BHED N#C[C@H]1CCC[C@@H](Nc2ccc3c(c2)CCC3)C1 185789727 ABAARPGBKLMTBQ-SWLSCSKDSA-N 240.350 3.670 30 20 BHED CCC1(CN[C@@H](C)c2ccc(C#N)cc2)CCC1 227758293 OJYXQYQBLFDXHG-ZDUSSCGKSA-N 242.366 3.789 30 20 BHED CCCCCCCCN[C@@]1(C)CCO[C@@H]1C 232937151 CRHCRSUTQYJTSV-KGLIPLIRSA-N 227.392 3.504 30 20 BHED SCc1cc(Br)ccc1Cl 236584845 DYVZPKHACPOKTQ-UHFFFAOYSA-N 237.549 3.532 30 20 BHED C[C@@H]1C[C@@H](C)CN([C@H](C)c2cccc(C#N)c2)C1 249114780 DEYMRNOTCBLISD-MGPQQGTHSA-N 242.366 3.597 30 20 BHED CN(CCC(C)(C)C#N)[C@H]1CCc2ccccc21 266009966 NBUOHZLRLJIMOA-HNNXBMFYSA-N 242.366 3.546 30 20 BHED CC[C@H](CC(C)C)C(=O)Nc1ccccc1C#N 308094154 XARSGTBFVLYUON-GFCCVEGCSA-N 244.338 3.569 30 20 BHED Cc1cccc(CNc2cc(C)cc(C#N)c2)c1 308098942 DAVKOYQMKJYVMN-UHFFFAOYSA-N 236.318 3.787 30 20 BHED C=CCC[C@H](NCC1(CCC)CC1)C1CC1 310014339 KDVIIIDXGZJCKG-AWEZNQCLSA-N 221.388 3.901 30 20 BHED C=CCC1(C(=O)N2CC3(CCCC3)C2)CCCC1 334643836 HCVJDVYYCRVJDU-UHFFFAOYSA-N 247.382 3.526 30 20 BHED C=CCCCCCCNc1cccc(C#N)n1 380112017 KWKNQCBHGKBCLT-UHFFFAOYSA-N 229.327 3.502 30 20 BHED C[C@H](CC(C)(C)C)NCc1ccc(C#N)c(F)c1 404044388 GTYAZNJBDJDLLQ-LLVKDONJSA-N 248.345 3.612 30 20 BHED C=CCCCOc1ccccc1SC 419084909 YZZDNMRXOAUVSC-UHFFFAOYSA-N 208.326 3.754 30 20 BHED C=CCC[C@@H](CC)Nc1ccc2c(c1)CCN2 423219546 UFCPUGIZPCUGSI-CYBMUJFWSA-N 230.355 3.811 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1CCC[C@@H]1F 449345318 VGJZXUYXMVKVBZ-RWMBFGLXSA-N 213.340 3.602 30 20 BHED C=CCCc1noc(C2=CCCCCC2)n1 453224976 CKTWPIKIDKBWDT-UHFFFAOYSA-N 218.300 3.536 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H](CC)C1CCCC1 456671500 XVKKSAIEORSSKI-HNNXBMFYSA-N 249.398 3.840 30 20 BHED CC#CCCN(C)[C@@H](c1ccccc1)C(C)C 462315493 PYGRCNIDKYWOST-MRXNPFEDSA-N 229.367 3.729 30 20 BHED CC#CCCN(C)[C@@H](C)c1ccc(C)cc1C 462316604 MALHVMWBFHVNNE-HNNXBMFYSA-N 229.367 3.710 30 20 BHED C=CCC(CC=C)C(=O)NCCCC1CCCC1 467366866 BGWFCQSPMZGGIW-UHFFFAOYSA-N 249.398 3.841 30 20 BHED CCc1ccc(/C=C\c2ncccc2C#N)cc1 485981862 JLQWLHOWLSXTHE-KTKRTIGZSA-N 234.302 3.686 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@@H]1CCCC(C)(C)C1 488817516 OQWNOXCKIOPTOQ-KGLIPLIRSA-N 249.398 3.770 30 20 BHED CC(C)(C#N)CCN1CCC[C@H]1C1CCCCC1 537366354 OTPCCZVPVCIPMV-HNNXBMFYSA-N 248.414 3.971 30 20 BHED N#Cc1ccccc1CNc1cccc2cc[nH]c12 547812145 GMYCQEAALKNBRB-UHFFFAOYSA-N 247.301 3.652 30 20 BHED CCCCC[C@H]1CCCN1c1cc(C#N)ccn1 557624864 GFYUAFSFSWPQGE-AWEZNQCLSA-N 243.354 3.502 30 20 BHED CC(C)c1cccc(CN(C2CC2)[C@@H](C)C#N)c1 595711325 YIGWNADUDHAFLW-ZDUSSCGKSA-N 242.366 3.686 30 20 BHED C=C(C)CCNC(=O)C[C@H](C)CC(C)(C)C 650931184 VUIOUVIGXJHLND-LBPRGKRZSA-N 225.376 3.531 30 20 BHED C=CCCOc1ccccc1-c1c(C)n[nH]c1C 665192411 MQBFEEVIKHLCMB-UHFFFAOYSA-N 242.322 3.648 30 20 BHED CCC#C[C@H](C)Sc1ccc(NC(C)=O)cc1 677131774 SEEGOEDOINEEIE-NSHDSACASA-N 247.363 3.539 30 20 BHED CCCCNN=C1CC(c2ccc(C)cc2)C1 729816533 OCGQHYRQVAWDGQ-UHFFFAOYSA-N 230.355 3.618 30 20 BHED C=CCCCCCN(C)C(=O)C=C1CCCC1 739654333 NDQNCRLXGMJWHV-UHFFFAOYSA-N 235.371 3.692 30 20 BHED C=CCCC(CC)=NOCc1ccccc1 750932491 NLOIAADQMYRLFY-UHFFFAOYSA-N 217.312 3.935 30 20 BHED Cc1cccc(NN=Cc2cc(F)cc(F)c2)c1 755465256 HBNULRKTELUGLN-UHFFFAOYSA-N 246.260 3.719 30 20 BHED CC(C)c1ncc(C=NNc2ccccc2)s1 758354241 DNSJZHFDCVMZLV-UHFFFAOYSA-N 245.351 3.713 30 20 BHED C[C@@H](NN=C1CCC[C@H]1CCF)C(C)(C)C 793113259 CEWGVPMQVXJBGW-MNOVXSKESA-N 228.355 3.526 30 20 BHED CSCCON=C1CC[C@@H]2CCCC[C@H]2C1 794577230 PPVLHZCXTPNXSB-RYUDHWBXSA-N 241.400 3.712 30 20 BHED Cc1oc(C(C)C)cc1C(=O)OCCCCC#N 797025143 JDMBXIYSKNMGNV-UHFFFAOYSA-N 249.310 3.562 30 20 BHED C#Cc1ccc(CN[C@H](C)c2ccsc2)cc1 809663313 SOBRJCNMYOQONC-GFCCVEGCSA-N 241.359 3.580 30 20 BHED C[C@@H]1CCCC[C@H]1C=NOC/C=C\Cl 811671967 ZFBVVDBFPKABEN-JMIZIVAQSA-N 215.724 3.568 30 20 BHED C/C(=C\Cl)CSCC(C)(C)CC#N 849895975 OGVMHPJUWFRIER-RMKNXTFCSA-N 217.765 3.802 30 20 BHED C#Cc1ccc(NCCCCC(F)(F)F)cc1 901518282 VZKLHOMPHFADOT-UHFFFAOYSA-N 241.256 3.812 30 20 BHED C=C(Cl)CN1CC[C@H](C)[C@@H]2CCCC[C@@H]21 917052962 GKTMUVJPFOGWHB-DRZSPHRISA-N 227.779 3.640 30 20 BHED CC(CCC(C)C)=NNc1ncccc1Cl 917549466 NWDBCIZDBZTAJK-UHFFFAOYSA-N 239.750 3.959 30 20 BHED CCc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1 1254646552 BHUGOTIGLGWJCK-XNRPHZJLSA-N 242.366 3.592 30 20 BHED CC(Cc1ccc(C)cc1)=NOCCC1CC1 1343846919 JVPVJKNYLXTZRW-UHFFFAOYSA-N 231.339 3.730 30 20 BHED C[C@H](CCNc1ccnc(C#N)c1)CC(C)(C)C 1458319882 NJHAQZOUTZAKSG-GFCCVEGCSA-N 245.370 3.828 30 20 BHED CC(C)=CCOc1ccc(C#N)cc1Cl 42210751 SJVMEHATXQGCQE-UHFFFAOYSA-N 221.687 3.557 30 20 BHED CC[C@H](C)CSc1snc(Cl)c1C#N 92677094 NZUCKVBKCRTBBZ-LURJTMIESA-N 246.788 3.806 30 20 BHED CCCCCCC[S@](=O)c1ccccc1F 114998066 KTSZLDHFSYJXKC-MRXNPFEDSA-N 242.359 3.904 30 20 BHED C#CCCCCC(=O)NCCCCC1CCCC1 119927324 DETGLODPKFUXMU-UHFFFAOYSA-N 249.398 3.657 30 20 BHED C=CCCN[C@@H](C)c1cccc(OC(C)C)c1 179668892 NWNSILCJZGOCPK-ZDUSSCGKSA-N 233.355 3.701 30 20 BHED Cc1cc(F)cc(N[C@@H]2CCC[C@@H](C#N)C2)c1 185737394 XLFUHHXGJLIUEJ-DGCLKSJQSA-N 232.302 3.628 30 20 BHED C=CCC1(C(=O)N2CCC[C@H]3CCC[C@H]32)CCC1 191909050 MXHGIBVORICIST-ZIAGYGMSSA-N 247.382 3.524 30 20 BHED C[C@H](Oc1cccc(F)c1)c1ccc(C#N)cc1 194621889 YJPUSFBUXMSDSC-NSHDSACASA-N 241.265 3.837 30 20 BHED C[C@H](C#N)CN[C@H]1CCC[C@@H](C(C)(C)C)CC1 226554995 LQFGXXMQBUQRAA-MCIONIFRSA-N 236.403 3.731 30 20 BHED CCCCCCCNCc1ncc(C)s1 232958315 FRQXCIJBTPAYRA-UHFFFAOYSA-N 226.389 3.512 30 20 BHED CC(C)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 274661927 VQUGHLPMDUBNCV-IMJJTQAJSA-N 242.366 3.666 30 20 BHED C=CCCC[C@@H](C)Nc1cc(Cl)nc(C)n1 301979808 AMHBXWQVUHXFQC-SECBINFHSA-N 239.750 3.595 30 20 BHED CC(C)(C)ON=Cc1cc(Cl)cs1 308149847 NRSBHPSACAEDSV-UHFFFAOYSA-N 217.721 3.551 30 20 BHED C=CCC[C@H](CCC)N[C@H]1CC[C@@H](C)C1 309171540 LMPUMXNBIYMLBL-RDBSUJKOSA-N 209.377 3.900 30 20 BHED C=CCCS[C@H](C)c1ccc(C#N)cc1 339090549 KEOMXKOJUIDUPC-LLVKDONJSA-N 217.337 3.929 30 20 BHED N#Cc1cccc(CN2CC[C@@H]2c2ccccc2)c1 348524910 KRFKRFAWPVQRGL-QGZVFWFLSA-N 248.329 3.505 30 20 BHED C#CCCCN[C@H](C)CCCCCC=C 380233476 LWFDALQPCCXJTH-CQSZACIVSA-N 207.361 3.514 30 20 BHED C=CC(C)(C)CN[C@H](C)Cc1ccccc1F 384906109 AJMMKCVATASZDM-GFCCVEGCSA-N 235.346 3.559 30 20 BHED C=C(C)C(C)(C)C(=O)N(CC)Cc1occc1C 424884644 QQNIAFLLRWUWPD-UHFFFAOYSA-N 249.354 3.539 30 20 BHED C=C(C)CCNC(=O)[C@H](CC)CC1CCCC1 452715440 CTJCPYVJQPKCJG-CQSZACIVSA-N 237.387 3.675 30 20 BHED C=CC[C@@H](CC)NC(=O)C1(CC)CCCCC1 466528053 GVFJLILUPDWNRB-CYBMUJFWSA-N 237.387 3.818 30 20 BHED C=CCCCC(=O)NC(CC(C)C)CC(C)C 479641339 GZGJCPGFJBLZDY-UHFFFAOYSA-N 239.403 3.920 30 20 BHED CCCCCCC[S@](=O)CCCC 526867947 GDVTUOGQQPYJHM-CYBMUJFWSA-N 204.379 3.506 30 20 BHED N#CCCCN[C@H]1CCCc2ccc(Cl)cc21 541571188 PGHDGEZBNQXOTI-AWEZNQCLSA-N 248.757 3.611 30 20 BHED C=CCC[C@H](C)NCCC1C[C@H](C)O[C@@H](C)C1 555226203 UEVYWXNEEZXGGR-IHRRRGAJSA-N 239.403 3.524 30 20 BHED C=CCC[C@H](C)NCC[C@H]1C[C@H](C)O[C@H](C)C1 555226204 UEVYWXNEEZXGGR-XQLPTFJDSA-N 239.403 3.524 30 20 BHED C=CCCCCSCC[C@H]1CCCC1=O 600632434 WEFXEQYXJKSQER-GFCCVEGCSA-N 226.385 3.835 30 20 BHED CCC(CC)CN(CCC#N)C[C@H](C)CCC#N 602466676 ZERGBUMUGPNTGO-CQSZACIVSA-N 249.402 3.578 30 20 BHED CCC[C@H]1CCCC[C@@H]1Nc1ncccc1C#N 609120385 HEVCQEZGVKNGBJ-JSGCOSHPSA-N 243.354 3.724 30 20 BHED Clc1ccc(Cl)c(NN=CC2CC2)c1 755754425 XYMYCYBBIHHLBB-UHFFFAOYSA-N 229.110 3.801 30 20 BHED CCCCCCNC1(c2cccc(C#N)c2)CC1 775428480 CWANYQBFYHKCJN-UHFFFAOYSA-N 242.366 3.717 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C1\CC[C@H](C)C1 775923371 MHZYYLJVSZDXSG-UBZWLNIWSA-N 235.371 3.594 30 20 BHED CC[C@@](C)(NCCC(C)(C)C#N)c1ccccc1 776604761 GJSWBJZOLUAVRE-MRXNPFEDSA-N 244.382 3.841 30 20 BHED Cc1cccnc1NN=C1CC[C@H](C)[C@@H](C)C1 790185200 DKUHEJORKHUCMS-JQWIXIFHSA-N 231.343 3.614 30 20 BHED Cc1cccnc1NN=C/C=C/c1ccccc1 790193822 OHNUGVYZBVVEFD-PYJFJABNSA-N 237.306 3.501 30 20 BHED C1CCC(SCCON=C2CCC2)CC1 799961637 VJBQRLOLJSUGLH-UHFFFAOYSA-N 227.373 3.609 30 20 BHED CC(CCc1ccco1)=NNc1ccccc1F 812460351 PDWHHFUVQPXBNU-UHFFFAOYSA-N 246.285 3.839 30 20 BHED Cc1cccc(F)c1NN=C1CC[C@H](C)C1 814905133 PCGAFSFCCZQHDL-VIFPVBQESA-N 220.291 3.722 30 20 BHED C=CCC(C)(C)CNC(=O)/C(C)=C/C(C)(C)C 817456788 FJQAHEZVAQGVAB-ZRDIBKRKSA-N 237.387 3.697 30 20 BHED C=CCCCC[C@@H](C)NCCc1ccc(N)cc1 817958413 VMFMOPCQDQDWDW-CQSZACIVSA-N 246.398 3.536 30 20 BHED C=C(C)CSCC[C@H]1CC1(Cl)Cl 818153244 RSHGBASJUUMUBT-QMMMGPOBSA-N 225.184 3.880 30 20 BHED CCC[C@@H](C)C(CC)=NN[C@H](C)c1ccncc1 819816539 KUALIDBVNBLXAN-CHWSQXEVSA-N 247.386 3.934 30 20 BHED Cc1nc(SCC2(C#N)CCC2)sc1C 829227290 KJRXGCHUANODBF-UHFFFAOYSA-N 238.381 3.546 30 20 BHED CC[C@@](C)(C=NNc1ccc(Cl)cc1)OC 834914178 MHLZESTVBYKPPD-LBPRGKRZSA-N 240.734 3.553 30 20 BHED Cc1cccc(CON=Cc2cccs2)c1 836495103 YWADFBYRZZRLGM-UHFFFAOYSA-N 231.320 3.607 30 20 BHED C=CCC1(CNC(=O)/C=C(\C)C2CC2)CCCC1 836991086 ONODLTSMDIXPCN-ACCUITESSA-N 247.382 3.595 30 20 BHED C=CC[C@H]1CCCCC1=NN[C@H](C)C(F)(F)F 853353908 OVNHBFWHEWCPKO-ZJUUUORDSA-N 248.292 3.649 30 20 BHED CC(C)SCOc1cc(Cl)cc(C#N)c1 863337252 XZOKWMRYWNUUKW-UHFFFAOYSA-N 241.743 3.690 30 20 BHED CCON=Cc1ccccc1-c1ccccc1 917543346 LOKWQJVLOZVBEG-UHFFFAOYSA-N 225.291 3.724 30 20 BHED CC[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)[C@@H]1C 1169494653 NGUOIKSJMFSJIU-VNHYZAJKSA-N 242.366 3.740 30 20 BHED C[C@@H](CNCC(C)(C)CC#N)C1CCCCC1 1474571493 RWVWPSDQDNJIPC-ZDUSSCGKSA-N 236.403 3.732 30 20 BHED C[C@@H](CNCC1(C#N)CCC1)CC1CCCCC1 1657119242 YQEQBCBVLSXYIQ-CQSZACIVSA-N 248.414 3.876 30 20 BHED CCN(Cc1cccc(C#N)c1)c1ccccc1 19804761 AUAUJEPYPAPANU-UHFFFAOYSA-N 236.318 3.585 30 20 BHED C=C(C)CN[C@@H](C)c1cc(C)sc1C 47944011 KWXRJDQUQBHKID-JTQLQIEISA-N 209.358 3.592 30 20 BHED C[C@H](c1ccccc1Cl)N(C)CCCC#N 52163035 ACOUSPNLHMQIMV-LLVKDONJSA-N 236.746 3.637 30 20 BHED CC[C@@H]1c2ccsc2CCN1CCCCC#N 57626281 MWTVLODBDIELJY-CYBMUJFWSA-N 248.395 3.751 30 20 BHED C[C@H]1CC[C@@H](C)C[C@H]1Nc1ccc(CC#N)cc1 85097836 MVFFZSVOFDKUSK-DVOMOZLQSA-N 242.366 3.989 30 20 BHED CCCCCCCCCN(C)CCC#N 102926548 JEAUQLABIYUVOF-UHFFFAOYSA-N 210.365 3.582 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1sc(CC)nc1C 129609819 PJXIHXZPRGYZTI-ZJUUUORDSA-N 238.400 3.629 30 20 BHED C=C(Cl)CN[C@@H]1c2cc(C)ccc2C[C@@H]1C 134586845 TXPOGQXYCHMRIP-HZMBPMFUSA-N 235.758 3.570 30 20 BHED CC[C@@H](c1ccccc1)N(CC)C[C@@H](C)C#N 155212188 BSJUVNHXLSJNIT-ZFWWWQNUSA-N 230.355 3.619 30 20 BHED C=C(C)CCN[C@H](C)c1ccccc1Cl 168045514 NXYZYJMXTQMKHZ-LLVKDONJSA-N 223.747 3.957 30 20 BHED C[C@@H]1CCC[C@@H](CNCC(C)(C)CCC#N)C1 174301593 FDDYDJFWBGIHHR-ZIAGYGMSSA-N 236.403 3.732 30 20 BHED C[C@@H](C1CC1)N(CCCC(C)(C)C#N)C1CC1 174818518 LRVWEYJCCFGXFV-LBPRGKRZSA-N 234.387 3.579 30 20 BHED C=CCCCC(=O)N1c2ccccc2CC[C@@H]1C 175607590 OKJAMUBFLZXGOS-ZDUSSCGKSA-N 243.350 3.711 30 20 BHED CC(C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H](C#N)C2)C1 249053730 YBZKOKLGILDRLB-FPCVCCKLSA-N 248.414 3.873 30 20 BHED C[C@@H](CCC(C)(C)C)Nc1ccc(C#N)nc1 301526165 PTYJVPMTUANLOG-NSHDSACASA-N 231.343 3.580 30 20 BHED C=CCCC[C@@H](C)Nc1ncc(C)s1 302885730 MPYCOYGELHVEGH-SECBINFHSA-N 210.346 3.608 30 20 BHED CSc1ccc(C)c(N[C@@H]2CC[C@H](C#N)C2)c1 335702884 MHSDRMPNAINFSF-NWDGAFQWSA-N 246.379 3.821 30 20 BHED C=CCCSc1cccc2cccnc12 351580273 LFHOYPVIMUQGOG-UHFFFAOYSA-N 215.321 3.903 30 20 BHED C=CCCNc1cc(Cl)c(Cl)cc1OC 380159825 BDYRPMLCMXNUTD-UHFFFAOYSA-N 246.137 3.990 30 20 BHED C=CCC1(C(=O)NCCC(=C)C)CCCCC1 452737252 HTPCECWXTXMHAA-UHFFFAOYSA-N 235.371 3.595 30 20 BHED C=CCC[C@H](NCCc1cccc(F)c1)C1CC1 533498426 CVDKVFKMZBSMKT-INIZCTEOSA-N 247.357 3.703 30 20 BHED C=C(CC)CSCc1nc(C(C)(C)C)no1 539094820 QEFJQVIXCGEXRN-UHFFFAOYSA-N 240.372 3.567 30 20 BHED C=C(CC)CNc1cccc(NC(=O)CCC)c1 540194169 CLMXWXBQBMDYLM-UHFFFAOYSA-N 246.354 3.803 30 20 BHED C=CCCCC[C@H](C)NC1(C2CC2)CC1 567324704 ZSTQGWQEEWTQBY-LBPRGKRZSA-N 207.361 3.654 30 20 BHED COc1ccccc1CSCC1(CC#N)CC1 594887539 MIVFBYXPHSKQBH-UHFFFAOYSA-N 247.363 3.622 30 20 BHED C[C@@H](c1cccc(C#N)c1)N(C)CC1CC=CC1 595549731 LRASWSJXFQPVIH-ZDUSSCGKSA-N 240.350 3.517 30 20 BHED C=CCC[C@H](CC)N[C@H]1CCc2ccc(O)cc21 658238842 LBALUXWGUXYLCE-BBRMVZONSA-N 245.366 3.714 30 20 BHED C=CCCCN(C)Cc1cc2ccccc2[nH]1 674505591 OPPFKNVZYRNEQW-UHFFFAOYSA-N 228.339 3.566 30 20 BHED N#Cc1ccc(NCCCC(F)F)cc1Cl 688766179 WCMBZEVBAUZLJP-UHFFFAOYSA-N 244.672 3.669 30 20 BHED CC(CCc1cccc(C)c1)=NNC1CCCC1 727651661 KNJNXAWUQQFGOX-UHFFFAOYSA-N 244.382 3.836 30 20 BHED CCC(=NNc1nc2ccccc2s1)C1CC1 741160228 VJRINPZTANRERU-UHFFFAOYSA-N 245.351 3.884 30 20 BHED CCON=C(C)c1ccc(OC(C)(C)C)cc1 764905963 UHOOGFWBELGOJP-UHFFFAOYSA-N 235.327 3.624 30 20 BHED CCCCCC[C@H](C)NN=C1CC(C(F)F)C1 766024720 HVMOSKQHGVUZAZ-VUWPPUDQSA-N 246.345 3.966 30 20 BHED C=CCCCCN[C@@H](C)c1c(CC)noc1C 769988109 MYFFWTJQVIRFSM-NSHDSACASA-N 236.359 3.552 30 20 BHED C#CCCCCN[C@@H]1CCc2ccc(Cl)cc21 773041180 OLEUPBQCUUERSY-OAHLLOKOSA-N 247.769 3.720 30 20 BHED C=C(CC)COC(=O)c1ccc(C(F)F)cc1 773501182 NHPJVRBMGCPLLS-UHFFFAOYSA-N 240.249 3.747 30 20 BHED CC(C[C@H](C)CC(C)C)=NOC1CCOCC1 774432107 AMAKYGBTRBXNDE-GFCCVEGCSA-N 241.375 3.630 30 20 BHED CCCC(CC)=NNC(=S)Nc1ccccc1 776183337 KVGPFXFHQAYUTM-UHFFFAOYSA-N 249.383 3.539 30 20 BHED CCCC[C@@H](CC)CSCCO[C@H](C)C#N 802749630 IOXLGJOZNYYSOB-CHWSQXEVSA-N 243.416 3.865 30 20 BHED CC(CSC(C)(C)C)=NNCC1CCCC1 808007238 WJTWRZRVRQHEHB-UHFFFAOYSA-N 242.432 3.674 30 20 BHED CCCCCCCCCNCc1n[nH]cc1C 810126354 WVKFWRTYEPNFLA-UHFFFAOYSA-N 237.391 3.558 30 20 BHED CSc1ccc(C=NOC/C=C\Cl)cc1 811671517 GUZCODXGGJGOJG-QBKLZAKSSA-N 241.743 3.512 30 20 BHED C[C@@H]1CCC(=NN[C@H]2CCCCC2(C)C)C1 814916472 ATNNIWYFEHHXIZ-YPMHNXCESA-N 222.376 3.721 30 20 BHED CC[C@@H](C)CC=NNc1cc(F)cc(OC)c1 834961595 ONFMHIMCBZXYLY-SNVBAGLBSA-N 238.306 3.668 30 20 BHED CC(=NOCC(F)(F)F)[C@@H]1CCCC[C@H]1C 834965412 OYSAILGEALQLNG-PSASIEDQSA-N 237.265 3.768 30 20 BHED CCCCC(CC)=NNc1ncc(F)cc1F 835022180 DAMGCXZKIFEDFC-UHFFFAOYSA-N 241.285 3.728 30 20 BHED C=CCN(C(=O)/C=C1\CC[C@@H](C)C1)C(C)(C)C 857651072 QJBAWXAPHVBULX-RVROTUBLSA-N 235.371 3.546 30 20 BHED C=C(C)CCC(=O)N(C)[C@H](C)c1cccs1 1336291480 SULZLLXPFTWCRA-LLVKDONJSA-N 237.368 3.624 30 20 BHED CCN(Cc1ccc(C#N)cc1)C1CCCCC1 19804722 MOJCZCSCQIMQMD-UHFFFAOYSA-N 242.366 3.713 30 20 BHED C=CCCCOc1ccc(NC(=O)OCC)cc1 77239584 OBXUBJZVTCWAOH-UHFFFAOYSA-N 249.310 3.600 30 20 BHED Cc1cc(C)c(CC2(C#N)CCC2)c(C)c1 83775995 SOPOJAGWCJCEQX-UHFFFAOYSA-N 213.324 3.848 30 20 BHED CC(C)(C#N)CCCN1CC[C@@H]2CCCC[C@@H]2C1 87608505 ZHMRQJWLXXHTSM-LSDHHAIUSA-N 248.414 3.828 30 20 BHED C=CCC[C@@H](C)Nc1cc(F)ccc1F 96034351 NTQUNGFUOZBPFD-SECBINFHSA-N 211.255 3.731 30 20 BHED CCCCCCCCCC(=O)NC(C)(C)C#N 107839113 VXGGMWRLGQLMFU-UHFFFAOYSA-N 238.375 3.545 30 20 BHED C[C@H]1CCC[C@@H](C)CN1Cc1ccc(C#N)s1 128195997 MIFVPRFMXQFTOC-NEPJUHHUSA-N 248.395 3.630 30 20 BHED C=CCOc1ccccc1CN[C@H]1CC[C@H](C)C1 135182534 DNYSVYCTXCAKFE-ZFWWWQNUSA-N 245.366 3.530 30 20 BHED N#C[C@H]1CCC[C@H](NCc2ccc(Cl)cc2)C1 185763929 GQSSGPOCFJJBKH-JSGCOSHPSA-N 248.757 3.512 30 20 BHED C=C[C@@](C)(CC)C(=O)NCCC1=CCCCC1 189885198 GPAHIVGWDNDEKU-HNNXBMFYSA-N 235.371 3.595 30 20 BHED CCCCCCCOc1ccccc1CCO 232952845 JGOICIGZWRRIHC-UHFFFAOYSA-N 236.355 3.571 30 20 BHED C=C(CNC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 252688484 OLESAYBFMIABMZ-XIRDDKMYSA-N 241.378 3.726 30 20 BHED CC[C@H](C)c1ccccc1OC(=O)CCCC#N 291278550 YNJCRDQLHCPASH-LBPRGKRZSA-N 245.322 3.799 30 20 BHED C[C@@H](CCC#N)Sc1cccc(F)c1 298212107 GRYPIOCOONVTRI-VIFPVBQESA-N 209.289 3.610 30 20 BHED C#CCCCNC[C@H](C)CC1CCCCC1 309506065 VWOIKSJMSGPKPS-CQSZACIVSA-N 221.388 3.596 30 20 BHED CCCC[C@H](CCC)N[C@@H]1CC[C@@H](C#N)C1 309994756 BULARWMSKQIAHS-HZSPNIEDSA-N 222.376 3.627 30 20 BHED C=CCOCCN[C@@H](C)c1ccc(C(C)C)cc1 381028321 IKWQMNMAHKEJCG-AWEZNQCLSA-N 247.382 3.663 30 20 BHED C=C(Cl)CN[C@@H](C)c1cc2ccccc2[nH]1 390507299 XTGKUILCPJIERY-JTQLQIEISA-N 234.730 3.571 30 20 BHED C=C(C)CNC(=O)[C@@H](CC1CCCC1)C(C)C 427945745 LMBMSFSBSOTIAL-AWEZNQCLSA-N 237.387 3.531 30 20 BHED C=CCC(C)(C)CN[C@@H]1CS[C@H](C(C)C)C1 517765823 JHWWNLQFTJTCRX-STQMWFEESA-N 241.444 3.708 30 20 BHED C=C(CC)CSc1ccc(C(=O)OC)cc1 536906736 VCVNGNIVIKQLBX-UHFFFAOYSA-N 236.336 3.532 30 20 BHED CC(C)c1cccc(N(C)CC2(C#N)CC2)c1 537212253 RYVGFRUJBKFDSZ-UHFFFAOYSA-N 228.339 3.550 30 20 BHED CC(C)CCCN[C@H](C)c1ccc(C#N)c(F)c1 537405841 YNZYLZQMDQFNOL-GFCCVEGCSA-N 248.345 3.784 30 20 BHED C=CC[C@H]1CCCN([C@H](C#N)c2ccccc2)C1 595658073 HFYBSHFENLYNPM-GOEBONIOSA-N 240.350 3.539 30 20 BHED C=CCCN(CC)Cc1cccc(Cl)c1 606895931 GSCGJEFLFOJHNJ-UHFFFAOYSA-N 223.747 3.738 30 20 BHED CC[C@H](Nc1cccc(F)c1C#N)C(C)(C)C 609233346 VVHFMSSEYPQPLX-ZDUSSCGKSA-N 234.318 3.934 30 20 BHED C=CCCCSCc1ccccc1OC 609804590 RNAXZIOXPUMZHP-UHFFFAOYSA-N 222.353 3.895 30 20 BHED C=CCC1(NCc2cccc(C)n2)CCCCC1 625934181 DIWIJLVKLXGTBB-UHFFFAOYSA-N 244.382 3.759 30 20 BHED C=CCCSc1ccnc2c(OC)cccc12 681958838 LRIJOXJICNOABU-UHFFFAOYSA-N 245.347 3.912 30 20 BHED C=CCN(C(=O)/C=C\C1CCCCC1)C(C)C 735429544 RMTZSCDMNWKNDD-KHPPLWFESA-N 235.371 3.546 30 20 BHED CCCCCCCN(CC)CC(F)(F)F 740876768 DUZHFYBVLVFCTJ-UHFFFAOYSA-N 225.298 3.841 30 20 BHED C=CCCC(=NNc1cccc(OC)c1)C1CC1 747751016 GQGGZWDUXYOVHE-UHFFFAOYSA-N 244.338 3.839 30 20 BHED C#CCCCN[C@H](CC)C(C)(C)c1ccccc1 776024274 POSOBGGASKVUKK-MRXNPFEDSA-N 243.394 3.746 30 20 BHED C#CC(C)(C)NC(=O)CC(C)(C)C1CCCCC1 793501323 OBOCNLRIROQOHA-UHFFFAOYSA-N 249.398 3.511 30 20 BHED C=CCCCCC[C@H](C)NCc1ccn(C)c1 793531789 JGGYNGWSRLIXOZ-AWEZNQCLSA-N 234.387 3.640 30 20 BHED C=CCCCCOC(=O)[C@H](C)c1cccs1 811010123 KGSGTVIJDHISOV-LLVKDONJSA-N 238.352 3.751 30 20 BHED CC[C@H](C=NNC1CCCC1)c1ccccc1 814832990 TVBYEXUJEMSYTO-CYBMUJFWSA-N 230.355 3.698 30 20 BHED CCC[C@@H]1CCC[C@H]1C(=O)OC1(CC#N)CCC1 835399825 MMAMBIQRJRYFLD-CHWSQXEVSA-N 249.354 3.582 30 20 BHED C=CC[C@@H](CC)NC(=O)/C=C(\C)c1cccs1 857209769 OALDQQQCLFWJHO-HCRIHEDKSA-N 249.379 3.622 30 20 BHED Fc1ccc(CNN=C2CCC23CCCC3)cc1 1116736847 DIQUBFOTLSSIHI-UHFFFAOYSA-N 246.329 3.626 30 20 BHED C=CCC(C)(C)C(=O)N1CC[C@@H]2CCCC[C@H]2C1 1324214918 VJNPUQPKNRSPOF-KBPBESRZSA-N 249.398 3.627 30 20 BHED CCC1(CNc2ccc(C#N)cn2)CCCCC1 1472751810 WYCMSEVCMRNTKQ-UHFFFAOYSA-N 243.354 3.726 30 20 BHED C[C@H]1C[C@@H](C(C)(C)C)CCN1CC1(CC#N)CC1 1559879312 GIPGQOKCCUDADV-KBPBESRZSA-N 248.414 3.827 30 20 BHED C[C@@H](NCCC1CCCC1)c1ccc(C#N)cc1 37739402 TXMMAUJJLFBEJI-CYBMUJFWSA-N 242.366 3.789 30 20 BHED CCN(Cc1ccc(C(C)C)cc1)C[C@H](C)C#N 42323863 NHJIOCSUPKUCJC-CQSZACIVSA-N 244.382 3.792 30 20 BHED CC[C@@H](CC#N)N[C@@H](C)c1ccccc1Cl 49508699 UYZCZTNRBCUDMS-QWRGUYRKSA-N 236.746 3.683 30 20 BHED Cc1cccc(CSc2ncccc2C#N)c1 49956610 MLHWSBOROOHQGQ-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=C(CC)CN[C@@H]1CCCc2sccc21 85058454 WXCBXSZMMVWPRG-GFCCVEGCSA-N 221.369 3.681 30 20 BHED CC(=O)c1ccc(C)cc1OCCC(C)(C)C#N 87592226 IQGVTOJXGRWPEJ-UHFFFAOYSA-N 245.322 3.516 30 20 BHED CCCCCCCCCCNC(=O)CC 106350545 OYIZIUPDFGVXNG-UHFFFAOYSA-N 213.365 3.653 30 20 BHED C=CCC[C@H](NC(=O)C1CCC1)c1ccccc1 133949133 QAGIKGVILHMXSJ-HNNXBMFYSA-N 243.350 3.610 30 20 BHED Cc1cccc(OCCSCCCCC#N)c1 161021632 AIGXKVXCJQLLFH-UHFFFAOYSA-N 249.379 3.801 30 20 BHED C=CC[C@@H](C)N[C@H](CC)c1cccc(F)c1 164090388 QQXMFRSIGMPCLY-BXUZGUMPSA-N 221.319 3.831 30 20 BHED C#CCCCCC(=O)Nc1ccc(C)cc1Cl 179613875 OXPUZJHKZWCEGQ-UHFFFAOYSA-N 249.741 3.781 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1cccc(C#N)c1 181988908 CFTJWFJVWDGVEW-KBPBESRZSA-N 242.366 3.954 30 20 BHED C=CCCC[C@@H](C)NC(=O)C[C@@H](C)CCC 182602557 MZXZTKMSYHIXRM-QWHCGFSZSA-N 225.376 3.674 30 20 BHED CCCCCCCCC(=O)N[C@H](C)C1CC1 192565269 COIXPCGDSOWBKM-GFCCVEGCSA-N 225.376 3.652 30 20 BHED CC(C)Oc1cccc(CON=C2CCC2)c1 265432174 GAENLVXEPDRKIS-UHFFFAOYSA-N 233.311 3.530 30 20 BHED C=CCCN(C)Cc1ccc(C(C)C)nc1C 294645630 QHUYVECGKDFZNA-UHFFFAOYSA-N 232.371 3.521 30 20 BHED N#CCCCCN1CCC[C@H]1c1ccccc1 299597139 PVEMXZFZMSCCEO-HNNXBMFYSA-N 228.339 3.517 30 20 BHED C=C(C)CN1CCSC[C@@H]1c1ccc(C)cc1 303699663 WZONCOJKZKBHGN-OAHLLOKOSA-N 247.407 3.661 30 20 BHED C=CCCCCC[C@H](C)NCC(C)(C)OC 309463063 OLCKTMTURFWAAO-ZDUSSCGKSA-N 227.392 3.526 30 20 BHED C=CC[C@H](C)[C@@H](C)NC[C@@H]1CCC(F)(F)C1 309721778 BZLKVZZBWPTSIX-QJPTWQEYSA-N 231.330 3.612 30 20 BHED C=CCCCCCCN[C@H](C)c1ccccn1 310185885 YJMDQUHQISXZNW-CQSZACIVSA-N 232.371 3.869 30 20 BHED C=CCC(C)(C)CN[C@@H]1CCC[C@@H](C)C1 310216799 DMNMGEXTGMIUJZ-CHWSQXEVSA-N 209.377 3.757 30 20 BHED C[C@H](SCC1(C#N)CC1)c1ccc(C#N)cc1 344487124 URQNYCHVSAFGNS-NSHDSACASA-N 242.347 3.656 30 20 BHED C=CCC1(c2nc(CCC(C)C)no2)CCC1 345946851 UPRZDPBGGMUPBX-UHFFFAOYSA-N 234.343 3.656 30 20 BHED C=CC[C@H](C)N[C@@H](CC)c1cc(F)ccc1F 358048765 QHFRGBRWYOVGGD-HZMBPMFUSA-N 239.309 3.970 30 20 BHED C=CCC[C@@H](NC1CCCC1)c1ccco1 390131542 KCTJSJLJMBPXEY-CYBMUJFWSA-N 219.328 3.819 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1cc(F)ccc1F 393763514 ZLKNBWCEUFJDGT-JQWIXIFHSA-N 239.309 3.970 30 20 BHED CCC1(CNCc2ccc(C#N)c(C)c2)CCC1 443993246 ADPJUGBQYUYPTI-UHFFFAOYSA-N 242.366 3.537 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H](C)CC(C)(C)C 457187300 AEMMHZRAUJUASO-LBPRGKRZSA-N 237.387 3.696 30 20 BHED C=CCCC1(C(=O)NCCCC2CCCC2)CC1 474700461 FFNHIBLHULDEKY-UHFFFAOYSA-N 249.398 3.819 30 20 BHED C=CC1CCN([C@H]2CCc3ccc(F)cc32)CC1 482951076 POXUZZYHBHIZNG-INIZCTEOSA-N 245.341 3.711 30 20 BHED CC1=C(C)CN([C@@H](C)c2cccc(C#N)c2)CC1 483378461 NVFVKHLFFYIAAR-AWEZNQCLSA-N 240.350 3.661 30 20 BHED N#Cc1cccnc1Nc1ccc(C2CCC2)cc1 486503899 CMCAHQRYKQVAQS-UHFFFAOYSA-N 249.317 3.964 30 20 BHED C=CCN(CC=C)Cc1coc2ccccc12 505881248 HVBRIUQHCZANTK-UHFFFAOYSA-N 227.307 3.607 30 20 BHED C=CCCCSc1nc2ccc(C)cc2[nH]1 522748598 PPPCVDCMQJSUJY-UHFFFAOYSA-N 232.352 3.930 30 20 BHED CC(C)CN(CCC(C)(C)C#N)CC(C)(C)C 538466942 UFNAQSGNNUOKEN-UHFFFAOYSA-N 238.419 3.930 30 20 BHED C=CCCC(=O)NC1CC(C)(C)CC(C)(C)C1 539691324 AQLZSKKERLGZBK-UHFFFAOYSA-N 237.387 3.674 30 20 BHED C=CCC(C)(C)C(=O)N[C@H](C)C[C@H](C)CC 560029261 SEAPCMYWEJUTKG-VXGBXAGGSA-N 225.376 3.530 30 20 BHED CC1(C#N)CCC(NCCCC2CCC2)CC1 594976905 IFQMPDRLUASLRJ-UHFFFAOYSA-N 234.387 3.629 30 20 BHED CC1(C)CCN(CCCCC#N)CC(C)(C)C1 595749881 NEBYUTIYZWUXJG-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C=CCCN1C[C@H](c2ccccc2C)C[C@H]1C 606898127 NUGUFQAYAGASIN-HUUCEWRRSA-N 229.367 3.749 30 20 BHED C=CCCC(C)(C)NCc1ccc(COC)cc1 657805569 RARWKSFBXDAINR-UHFFFAOYSA-N 247.382 3.667 30 20 BHED Cc1ccc(F)c(C=NNc2ccc(F)cc2)c1 734977059 AWNGXJRRAJWWDK-UHFFFAOYSA-N 246.260 3.719 30 20 BHED CCCCCCCC(=O)N(C)[C@@H](C)C1(C)CC1 752498269 RCGQJTRQUKOZBC-ZDUSSCGKSA-N 239.403 3.994 30 20 BHED Cc1ccccc1C=NOCCCOC(C)(C)C 756850050 WVVUTZDXHKDSJP-UHFFFAOYSA-N 249.354 3.551 30 20 BHED CCCCCCCCCN(C)Cc1cn[nH]c1 768993094 UUWIIRGEPNSHTD-UHFFFAOYSA-N 237.391 3.592 30 20 BHED C=C(CC)CSC1=Nc2ccccc2C1 773212577 LPVBPVLMWWSDFU-UHFFFAOYSA-N 217.337 3.972 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C=C(\C)C(C)(C)C 775924430 LOQDIWGXJMKGHE-XZHRJIJLSA-N 237.387 3.840 30 20 BHED CCCCCCCN[C@H](CC)C1CCOCC1 776029481 ZKMFUNBYWQMFPL-OAHLLOKOSA-N 241.419 3.752 30 20 BHED C[C@@H](C#N)CNN=C1CCC2(CCCCC2)CC1 786037400 QRVSDTIDBFOJRT-ZDUSSCGKSA-N 247.386 3.616 30 20 BHED CC[C@@H](C)NN=C1CCC[C@H]1Cc1ccccc1 790186954 CXZZAZYXDXBXTH-HIFRSBDPSA-N 244.382 3.773 30 20 BHED C=CCCCCC[C@H](C)NC[C@@H]1CCC=CO1 793559009 XYBKVYYJUHHFLJ-GJZGRUSLSA-N 237.387 3.794 30 20 BHED CCCC(=NOCCSC)c1ccccc1 794574529 HUCOJVORARXEQH-UHFFFAOYSA-N 237.368 3.570 30 20 BHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1ncccc1F 794990930 SNDKVOGCMBWDNQ-VXGBXAGGSA-N 247.317 3.611 30 20 BHED C#C[C@H](N[C@@H](C)C1CCC1)c1ccc(Cl)cc1 811517179 KCYGQOTUDZGDCX-NHYWBVRUSA-N 247.769 3.793 30 20 BHED COc1ccc([C@@H](C)C(C)=NOC2CCC2)cc1 812235598 YYHVTEUSPBEOFP-NSHDSACASA-N 247.338 3.744 30 20 BHED C#CCCCCC(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1 837157370 VRESFNYTSUAZQY-ILXRZTDVSA-N 249.398 3.511 30 20 BHED CC(C)SCCSCC1(C#N)CCC1 842193662 WETGYAPYNOAVIK-UHFFFAOYSA-N 229.414 3.555 30 20 BHED CCCOc1ccc(NC[C@H](C)CCC#N)cc1 877118401 AFCUAVCLFOKJAJ-CYBMUJFWSA-N 246.354 3.827 30 20 BHED CCCCNN=Cc1csc2ccccc12 915965802 CIQSBJWTVKVLKU-UHFFFAOYSA-N 232.352 3.625 30 20 BHED c1ccc(NN=C2CC[C@@H]3CCCC[C@@H]3C2)nc1 916274155 ZWWDKRWBBAERAV-QWHCGFSZSA-N 243.354 3.840 30 20 BHED CCc1cccc(Oc2cc(C)c(C#N)cn2)c1 1161956953 DCVQENGHQQTIDA-UHFFFAOYSA-N 238.290 3.616 30 20 BHED C=CCC[C@H]1CCCN1C(=O)[C@H](C)C1CCCC1 1339278230 APAMCZILOTXYQK-HIFRSBDPSA-N 249.398 3.770 30 20 BHED CSc1ccccc1C(C)=NOCCC1CC1 1347599819 DGZDBKGUFRXSBP-UHFFFAOYSA-N 249.379 3.949 30 20 BHED N#Cc1cccc(CSc2ccccc2F)c1 19847582 GMCDVCLUCDWHRK-UHFFFAOYSA-N 243.306 3.990 30 20 BHED CC[C@H](C)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 36991786 VDDBFLVPDINBOB-AVGNSLFASA-N 230.355 3.643 30 20 BHED O=C(/C=C/c1ccsc1)C1CCCCC1 61174738 NCBXKJNRMXYFLG-VOTSOKGWSA-N 220.337 3.911 30 20 BHED C#CCCCCN[C@H]1CC(C)(C)Cc2occc21 90398968 FXXZNOLMILLFEA-AWEZNQCLSA-N 245.366 3.686 30 20 BHED CC[C@H]1CCCC[C@@H]1NCc1cc(C#N)cs1 93492274 LCIYRASKOSDENW-JSGCOSHPSA-N 248.395 3.678 30 20 BHED C=CCC[C@H](NCc1ccsc1)C1CC1 125291421 BSGXUAQMPSINLQ-ZDUSSCGKSA-N 221.369 3.583 30 20 BHED C=CC[C@H](C)N[C@@H]1CCCc2cc(OC)ccc21 163318554 UCAYZOJAMDLDEN-BLLLJJGKSA-N 245.366 3.627 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H](C)[C@H](C)CC 181476419 GOWQQRCIUPQZKC-FRRDWIJNSA-N 225.376 3.530 30 20 BHED O=C(/C=C/c1cc2ccccc2o1)c1ccncc1 182242182 XARQXYMCCKIDGV-AATRIKPKSA-N 249.269 3.724 30 20 BHED C=CCCCC(=O)N1CCC(CC)(CC)CC1 188617679 QTBVXXLZKOCPNC-UHFFFAOYSA-N 237.387 3.772 30 20 BHED N#CCCCSCc1cccc(F)c1F 190886046 FPHGMAQATCKIOJ-UHFFFAOYSA-N 227.279 3.502 30 20 BHED N#Cc1cccc(C#N)c1Sc1ccccc1 196296698 WHCKLCFBIDTRCK-UHFFFAOYSA-N 236.299 3.581 30 20 BHED CC[C@H](C)CSCc1cccc(C#N)c1 229046138 KFSGFHRKIYHPJS-NSHDSACASA-N 219.353 3.838 30 20 BHED C[C@@H]1C[C@H](c2ccccc2)N(CCCCC#N)C1 285633997 KXYSFUTXRNDRNM-GDBMZVCRSA-N 242.366 3.763 30 20 BHED C=CC[C@@H](CC)NCc1cc(Cl)cs1 308609898 QJEDCKGKBZGDDH-SNVBAGLBSA-N 229.776 3.846 30 20 BHED C=CCC(CC=C)c1nc(-c2ccco2)no1 340657431 ZTCGKLPEZJVFFV-UHFFFAOYSA-N 230.267 3.565 30 20 BHED N#CCc1ccc(CNc2ccccc2F)cc1 342434774 JMOCZUBDUOXBAX-UHFFFAOYSA-N 240.281 3.504 30 20 BHED CCN(Cc1ccccc1C)[C@@H](C)CCC#N 351615218 LJZYFLCZIGYXGH-AWEZNQCLSA-N 230.355 3.509 30 20 BHED C=CCCCC[C@@H](C)N[C@H](C)c1cn(C)nc1C 359351948 ZADITXDGMMKHCQ-CHWSQXEVSA-N 249.402 3.514 30 20 BHED C=CCCC(=O)N1CC2(CCCCC2)[C@@H]1C(C)C 458164819 BOXLENLCPALDQR-HNNXBMFYSA-N 249.398 3.770 30 20 BHED C=CCCC1(C(=O)N2C[C@@H](C)CC(C)(C)C2)CC1 476614700 XDNZJHAGCGMOBT-ZDUSSCGKSA-N 249.398 3.627 30 20 BHED C=CCCCCCN1CCC(C(F)F)CC1 488225016 SLPJHZBUAKPQNJ-UHFFFAOYSA-N 231.330 3.710 30 20 BHED C=CC[C@H](C)N[C@H]1c2cc(C)ccc2C[C@@H]1C 494038920 NGBNXFHBVQZGQF-HEHGZKQESA-N 229.367 3.783 30 20 BHED CC(C)(C)[C@H]1CCCN1Cc1ccc(C#N)cc1 514086625 BUHQWLHJNDQSIL-OAHLLOKOSA-N 242.366 3.569 30 20 BHED C=CC[C@H](CC)NC(=O)C[C@H]1CCCC[C@@H]1C 517753853 MOBPAMZDSRQACE-MJBXVCDLSA-N 237.387 3.674 30 20 BHED C=CCCN1CC[C@@H](Cc2ccccc2)[C@H]1C 530866277 IAJYVYLTMSHGDR-ZBFHGGJFSA-N 229.367 3.516 30 20 BHED CCCCSCCc1ccc(C#N)cc1 596331364 BFVASJPLMBHWRX-UHFFFAOYSA-N 219.353 3.634 30 20 BHED CCC[C@@H]1CCCC[C@H]1NC[C@H](C)CCC#N 602535618 QTHQBHJNTQQVPJ-RBSFLKMASA-N 236.403 3.875 30 20 BHED C=CCCCN1CCc2sccc2[C@H]1C 605149622 GGCDYWDMXXTQRC-LLVKDONJSA-N 221.369 3.633 30 20 BHED Cc1nc(N[C@]2(C)CC2(C)C)c(Cl)cc1C#N 702371293 OITCJRVIBMGTNP-CYBMUJFWSA-N 249.745 3.516 30 20 BHED C#Cc1cccc(N(C)C/C=C\c2ccccc2)c1 728686968 ZWXJRQBQPWIQEI-WQLSENKSSA-N 247.341 3.818 30 20 BHED C#CCN(Cc1cccs1)C1CCCCC1 746147999 RKNBOLSWSOZJHI-UHFFFAOYSA-N 233.380 3.516 30 20 BHED Cc1ccc(NN=Cc2ccc(F)cc2C)cc1 750913297 YJHLHGVYSOIBHZ-UHFFFAOYSA-N 242.297 3.889 30 20 BHED CCCCCCC=NNCc1ccc(C#N)cc1 755802616 NUSIXSZCQQBPLM-UHFFFAOYSA-N 243.354 3.604 30 20 BHED CC1(C)CC(=NOCc2ccccc2)C(C)(C)O1 755893429 SVGSTHFTXYZQJS-UHFFFAOYSA-N 247.338 3.537 30 20 BHED C#CCCOc1ccc(-c2csc(C)n2)cc1 760352453 KYDZHHKTHZYDLY-UHFFFAOYSA-N 243.331 3.521 30 20 BHED C#CCCN(C1CC1)[C@@H]1CCCc2ccccc21 764231527 GAMPPIQJKZRRBV-QGZVFWFLSA-N 239.362 3.552 30 20 BHED C=C(C)CN(C)Cc1ccc(N(CC)CC)cc1 764817229 SKMGGOPKQOCPCN-UHFFFAOYSA-N 246.398 3.541 30 20 BHED C#CCCCSc1nc(-c2ccccc2)co1 767108453 GROQDNTZJTXSLG-UHFFFAOYSA-N 243.331 3.847 30 20 BHED C=CCCOC(=O)c1cc(C)c(C)cc1Cl 781310773 VCUQCVPNEBZGFZ-UHFFFAOYSA-N 238.714 3.690 30 20 BHED CC[C@@H](C)NN=C(C)[C@H](C)c1ccccc1 790182113 BLLKRCARANHTBG-NEPJUHHUSA-N 218.344 3.554 30 20 BHED C=CCN(CC=C)C(=O)C(C)(C)C1CCCCC1 790844418 QVIDFPSJSACWKG-UHFFFAOYSA-N 249.398 3.794 30 20 BHED Clc1cccc(CC=NOC2CCCC2)c1 794921175 DXGNLPHPKXIUEL-UHFFFAOYSA-N 237.730 3.828 30 20 BHED CC1=CCC[C@H](C)[C@@H]1C=NNc1cccc(F)n1 795009290 ZLAQYWAMXAMNMO-NWDGAFQWSA-N 247.317 3.611 30 20 BHED C=CCCCOC(=O)c1sccc1Cl 797086829 HRDYGWXACFWFAJ-UHFFFAOYSA-N 230.716 3.525 30 20 BHED C(CC1CCCCCC1)=NOCc1cccnc1 799111664 LEWKGPWKRLBRSN-UHFFFAOYSA-N 246.354 3.945 30 20 BHED C#Cc1ccc(CNc2cccc(F)c2C)cc1 809598204 DGZZNHZQOHSYEP-UHFFFAOYSA-N 239.293 3.728 30 20 BHED C=CCCCCCCCNC(=O)c1occc1C 810766497 ITBWXAHDYDEMHM-UHFFFAOYSA-N 249.354 3.844 30 20 BHED Clc1ccc2c(C=NOCC3CC3)c[nH]c2c1 814244885 MRABZBCKYHMTIG-UHFFFAOYSA-N 248.713 3.582 30 20 BHED CC(C)=CCC[C@@H](C)CC(=O)OC1(C#N)CCC1 842732449 OORAFJXBLRVJLG-CYBMUJFWSA-N 249.354 3.748 30 20 BHED C=CC[C@H]1CCCN(C(=O)/C(C)=C(/C)CC)C1 855438263 DKZSFVBDMGNNLT-DINCDJDBSA-N 235.371 3.548 30 20 BHED Cc1ccc(COc2ccc(C#N)cc2)cc1F 1164575371 HHILGWNWNDVWOU-UHFFFAOYSA-N 241.265 3.585 30 20 BHED CC(=NOC(C)(C)C)c1cc2ccccc2o1 1319577283 NXQVZJSZLADACR-UHFFFAOYSA-N 231.295 3.972 30 20 BHED CCC[C@@H]1CCCC[C@@H]1CN[C@@H]1CC[C@@H](C#N)C1 1652667675 MKDHSQDBAKLDOL-KLHDSHLOSA-N 248.414 3.875 30 20 BHED Cc1cccc(/C=C\C(=O)c2ccc(O)cc2)c1 33472150 XKVURECLLISBPN-YHYXMXQVSA-N 238.286 3.597 30 20 BHED C=C(Br)CN[C@H](C)CCCC(C)C 42589664 RJFVMJYHRHINFP-LLVKDONJSA-N 248.208 3.699 30 20 BHED Cc1ccc2c(c1)[C@@H](Nc1ccc(C#N)cc1)CC2 113310377 PRAGZUBHTPXPJT-KRWDZBQOSA-N 248.329 3.966 30 20 BHED C=C(C)CN[C@H](C)c1ccc(SC)cc1 120902563 KPAVCMKMIARLKU-LLVKDONJSA-N 221.369 3.635 30 20 BHED C=C(C)CSCCCOc1ccc(C#N)cc1 121483086 NYTGAEVBUMPISA-UHFFFAOYSA-N 247.363 3.636 30 20 BHED C=C(Cl)C[S@@](=O)[C@H](C)c1cccc(C)c1 172851302 YVCQZANWKRTQFV-IAQYHMDHSA-N 242.771 3.557 30 20 BHED C[C@@H](CC1CC1)Nc1ccccc1O[C@H](C)C#N 180204434 JVJXKQQRBIDJOR-NWDGAFQWSA-N 244.338 3.578 30 20 BHED C[C@@H](C#N)Oc1ccccc1NCCC(C)(C)C 187307914 XJZGDIIUOVRATR-LBPRGKRZSA-N 246.354 3.826 30 20 BHED CC[C@H](C)CSCCOc1ccc(C#N)cc1 229045383 JXHRGEKZMSAQCL-LBPRGKRZSA-N 249.379 3.716 30 20 BHED CCC[C@@H]1CCCN(c2ccc(C#N)cc2)C1 301612487 FZLVZEULADYOQU-CQSZACIVSA-N 228.339 3.575 30 20 BHED C=CCCC[C@@H](C)NC[C@H]1CC=CCC1 308815138 AKZSQPYEEHWWHC-KGLIPLIRSA-N 207.361 3.677 30 20 BHED C=CC[C@@H](CC)N[C@H]1CCCC(C)(C)C1 309222315 VKUHQNXGLQIBLB-OLZOCXBDSA-N 209.377 3.900 30 20 BHED C=CCCC[C@H](C)Nc1nc(CCC)ns1 309652137 OMEOOZMEAAQZEK-JTQLQIEISA-N 239.388 3.647 30 20 BHED Cc1sccc1CNc1ccc(CC#N)cc1 336710903 NFFJQMYTSJRYFU-UHFFFAOYSA-N 242.347 3.735 30 20 BHED C=CCC[C@H](N[C@@H]1CC[C@H](F)C1)c1ccco1 348317175 JARSHAOAZTWRRP-XQQFMLRXSA-N 237.318 3.767 30 20 BHED C=CC[C@H](C)N[C@H](CC)c1cc(F)ccc1F 358048766 QHFRGBRWYOVGGD-IINYFYTJSA-N 239.309 3.970 30 20 BHED C=CCC[C@H](CC)NCCCC(F)(F)F 379982066 HZAGOZMLMDOVQU-JTQLQIEISA-N 223.282 3.663 30 20 BHED N#CCCCCN1CCC[C@@H](c2ccccc2)C1 433050322 BOUSHFHNUZQRGY-MRXNPFEDSA-N 242.366 3.560 30 20 BHED C=CCC[C@@H](CC)N[C@H](C)CCc1ccco1 461819055 SHSLCYCSDPFEKZ-ZIAGYGMSSA-N 235.371 3.935 30 20 BHED C=CCCN(C)[C@H](C)c1cccc(C)c1 467288808 KBSUYYGRUWWSSW-CYBMUJFWSA-N 203.329 3.564 30 20 BHED C=CCC(CC=C)C(=O)NC[C@@H]1CCC[C@@H](C)C1 467346692 LJEAGMSXCVTGOW-ZIAGYGMSSA-N 249.398 3.697 30 20 BHED CC[C@@H](NCc1ccc(C#N)c(C)c1)C(C)(C)C 488161243 UWMQXKNFBXNKID-OAHLLOKOSA-N 244.382 3.781 30 20 BHED CCN(CC#N)Cc1ccc(C(C)(C)CC)cc1 509901968 SICCQXTTZGSSKE-UHFFFAOYSA-N 244.382 3.720 30 20 BHED C=C(C)CN1CCC[C@@]1(CCC)C(F)(F)F 532736584 VWFDSMHUJDLQSW-NSHDSACASA-N 235.293 3.760 30 20 BHED C=CCCCSCCOc1cccc(F)c1 609803921 LXDZDJCUEOBTSK-UHFFFAOYSA-N 240.343 3.904 30 20 BHED C=CCCC(=O)N[C@H](C1CCCCC1)C1CCC1 648590769 IQLWDBXUHFRUKL-MRXNPFEDSA-N 249.398 3.818 30 20 BHED C=C(C)CN(CCC)Cc1ccc(C)cc1 679635674 GAQYMPQVMSXOTM-UHFFFAOYSA-N 217.356 3.783 30 20 BHED C=CC[C@@H](C)NC(=O)CCCC[C@H](C)CC 680202211 VISGVACXWBKNOJ-CHWSQXEVSA-N 225.376 3.674 30 20 BHED CCC[C@H]1CCCN(c2cccc(F)c2C#N)C1 708521424 YDMQICQLAQSQLC-LBPRGKRZSA-N 246.329 3.714 30 20 BHED C=CCCOC(=O)[C@@H](Cc1ccccc1)C(C)C 740264561 VHNFVNQVUWYXFF-HNNXBMFYSA-N 246.350 3.621 30 20 BHED C=C(Cl)CSCCOc1ccc(C)cc1 742796667 VOHLLTMKTILCAQ-UHFFFAOYSA-N 242.771 3.860 30 20 BHED CCCCCCCCNC(=O)C(C)(C)CC 754849275 IOLURJONVDRKRI-UHFFFAOYSA-N 227.392 3.899 30 20 BHED CC(CC1CC1)=NNc1ccc2ccccc2n1 756820154 KTVPAACGLMKYIB-UHFFFAOYSA-N 239.322 3.823 30 20 BHED C=CCCCCN[C@H](C)c1c(CC)noc1C 769988107 MYFFWTJQVIRFSM-LLVKDONJSA-N 236.359 3.552 30 20 BHED CCCCCCCN1CCC[C@@](C)(C#N)C1 784455767 WDCNVXMYKBVNGB-AWEZNQCLSA-N 222.376 3.582 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CCCC(C)(C)C1 785597461 ILNTTXHEECRLHB-CQSZACIVSA-N 249.398 3.655 30 20 BHED CC[C@H](C)CCC(=O)Oc1ccc(C#N)c(C)c1 808779529 HKMCTYLGEREZAW-NSHDSACASA-N 245.322 3.598 30 20 BHED C=CCCCCCCCNC(=O)/C(C)=C\C 813257295 WXOFFRWESZLMBE-ACAGNQJTSA-N 223.360 3.595 30 20 BHED C=CCCCCC[C@H](C)N[C@H](C)CC(C)(C)O 824703256 YRZZKDUXCKCIOA-UONOGXRCSA-N 241.419 3.651 30 20 BHED CC[C@@H](C=NOC(C)C)c1ccccc1 834999819 FCINDPQBALBBLY-LBPRGKRZSA-N 205.301 3.591 30 20 BHED C#CCCOC(=O)Oc1ccc([C@@H](C)CC)cc1 858877246 JEPUGZGTVWQWGB-LBPRGKRZSA-N 246.306 3.739 30 20 BHED Cc1ccc([C@@H](C)C=NOC/C=C/Cl)cc1 863112055 IYRFQJVJHUCIMB-FHUOWIPVSA-N 237.730 3.853 30 20 BHED C=C1CCC(C(=O)N2[C@@H](C)CC[C@@H]2CC)CC1 889845051 HMSGJGOFXFROTL-JSGCOSHPSA-N 235.371 3.522 30 20 BHED Cc1ccc(C=NNc2cc(F)cc(F)c2)cc1 920376610 LXZVOALOOVYKBH-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C=C(CC)C(=O)Nc1cccc(C(F)F)c1 1346399214 HCWJPIMLXJQFPH-UHFFFAOYSA-N 225.238 3.529 30 20 BHED C=CCOc1ccc(CN[C@H](C)[C@H](C)CC)cc1 42552966 VENNXVSOEJYWEP-ZIAGYGMSSA-N 247.382 3.776 30 20 BHED C=CCC[C@@H](NC1CCCCC1)C1CC1 119820296 MZYVIMJDIZQUTL-CQSZACIVSA-N 207.361 3.654 30 20 BHED C#CCCCSc1ccccc1Cl 161024286 QRXZFCAYAUVQTC-UHFFFAOYSA-N 210.729 3.846 30 20 BHED CCC(CC)CN[C@H](C)c1cccc(C#N)c1 164518569 BYNRSMPETATLKH-GFCCVEGCSA-N 230.355 3.645 30 20 BHED C=CCCCN[C@](C)(CC)c1nc(C)cs1 173947695 QZPAZSMPUVVKRG-CYBMUJFWSA-N 238.400 3.633 30 20 BHED N#C[C@H]1CCC[C@@H](NCCCC2CCCC2)C1 185752342 KGQDLKSCDNKWHY-LSDHHAIUSA-N 234.387 3.629 30 20 BHED N#C[C@@H]1CCC[C@H](Nc2cccc(Cl)c2)C1 193088642 IWDGGLORWXGKDO-PWSUYJOCSA-N 234.730 3.834 30 20 BHED C[C@@H](CCC(C)(C)C)NCc1cccc(C#N)c1 237496181 MWLHPAXKJVEMCI-ZDUSSCGKSA-N 244.382 3.863 30 20 BHED Cc1nsc(N[C@@H]2CC[C@H](C)C[C@H]2C)c1C#N 252606424 QNNSBULVZFNTLW-YGOYTEALSA-N 249.383 3.560 30 20 BHED C=C(C)CN(CC)c1ccc(C(F)(F)F)cn1 301095020 YSQGTVWXSRAMIF-UHFFFAOYSA-N 244.260 3.503 30 20 BHED C[C@@H]1CCCC[C@]1(C)NCCCC(C)(C)C#N 308697382 GRCAUDFVWRJUEG-HIFRSBDPSA-N 236.403 3.875 30 20 BHED C=CCCCCC[C@H](C)N[C@@H](CC)CC#N 381370518 ICZGVMUROVIMRF-KBPBESRZSA-N 222.376 3.793 30 20 BHED C=CCCCNC1(c2ccc(Cl)cc2)CC1 393783120 URGJBNJYYJAGMY-UHFFFAOYSA-N 235.758 3.885 30 20 BHED C=CCCC[C@H](C)NC(=O)c1cccc(C)c1F 398167167 XVYFBWKTICOTQN-LBPRGKRZSA-N 249.329 3.609 30 20 BHED C=CCC[C@H](CCC)N[C@@H]1CS[C@H](C)C1 414237206 WHMJLROMURZDQI-AGIUHOORSA-N 227.417 3.605 30 20 BHED C=C(C)C(C)(C)c1nc(CC2CCCC2)no1 424357676 FJKVPFDVSBDIAH-UHFFFAOYSA-N 234.343 3.656 30 20 BHED C=CCC(C)(C)c1noc(C(C)(C)C(=C)C)n1 424366532 XOVHIZNZORXIBC-UHFFFAOYSA-N 234.343 3.777 30 20 BHED C=CCOCCCN1CC[C@@H](C)c2ccccc21 470778996 JITZXXWPUXXNRD-CQSZACIVSA-N 245.366 3.593 30 20 BHED C=C(CC)COc1ccc([C@H]2CCOC2)cc1 479428796 SKHBTIWWFSGJDA-AWEZNQCLSA-N 232.323 3.536 30 20 BHED CC(C)[C@H]1CCC[C@@H](Nc2cnccc2C#N)C1 537655690 FEELAKVKLQFEFJ-GXTWGEPZSA-N 243.354 3.580 30 20 BHED C=C(CC)CN[C@@H](C)c1cccc(OCC)c1 538176688 MAWQSQVSBYJECS-ZDUSSCGKSA-N 233.355 3.702 30 20 BHED C=CCN(CC=C)[C@@H](C)c1ccc(F)cc1 560692386 AECYNYOABVQRSR-LBPRGKRZSA-N 219.303 3.561 30 20 BHED C=CCCCCN[C@@](C)(CC)c1nccs1 580755169 ILMLJGONGNSVMH-ZDUSSCGKSA-N 238.400 3.714 30 20 BHED C=CCC[C@@H](CC)N[C@@H](C)c1cccc(C#N)c1 610830088 CLHDCOURAXYENM-XJKSGUPXSA-N 242.366 3.954 30 20 BHED C=CCCCCN1CCC[C@H]1c1ccccn1 649343007 HODHHCWDLKZPGB-HNNXBMFYSA-N 230.355 3.575 30 20 BHED C=CCCC(=O)Oc1c(C)cc(Cl)cc1C 726497091 BDHSSEANPCFOOY-UHFFFAOYSA-N 238.714 3.828 30 20 BHED C=C(C)CN(CC)C(=O)/C=C/C1CCCCC1 735425439 MUOJMPPZABAHJB-ZHACJKMWSA-N 235.371 3.548 30 20 BHED CCC/C=C\C(=O)O[C@@H](C)c1ccc(C#N)cc1 749063489 ZLCLSQUZVZZVOH-FJOGCWAESA-N 243.306 3.519 30 20 BHED FC(F)(F)c1ccccc1NN=CC1CC1 755466500 DAHIHLGCQGPFBP-UHFFFAOYSA-N 228.217 3.513 30 20 BHED C[C@H](NN=C[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 762420262 YZPDAISZBOIOEC-DARAHFNDSA-N 242.366 3.759 30 20 BHED CCCC(CC)=NNc1cc(F)cc(OC)c1 776187978 QTRBOAJFZICRIZ-UHFFFAOYSA-N 238.306 3.812 30 20 BHED C=CC[C@H](C(=O)OCC=C(C)C)c1ccccc1 778703274 YOYYHYRZGZMTBN-HNNXBMFYSA-N 244.334 3.856 30 20 BHED CC(C)=CCC/C(C)=C/C=NN=c1cc[nH]cc1 779808625 NHSOMAKCPAQDJU-FWGZIRTHSA-N 243.354 3.594 30 20 BHED CC(C)CON=C1CCC[C@H](C(F)(F)F)C1 783522532 SUXWJEQZMJYQGA-VIFPVBQESA-N 237.265 3.768 30 20 BHED C=C[C@H]1CCCCN1C(=O)C=C1CCC(C)CC1 785851539 CJWPDXXCZVTKOD-WUJWULDRSA-N 247.382 3.690 30 20 BHED Clc1cscc1C=NNC1CCCCC1 786043308 MOPSPLOBBCMRKO-UHFFFAOYSA-N 242.775 3.658 30 20 BHED C[C@@H]1Cc2cc(-c3ccccc3C#N)ccc2O1 793368632 QJUQRDFIYWCVJC-LLVKDONJSA-N 235.286 3.549 30 20 BHED CCCC[C@H](C)C(C)=NNc1ccnc(F)c1 807983129 YDDFBNJFLSROAI-JTQLQIEISA-N 237.322 3.835 30 20 BHED C[C@H](NN=Cc1cccc2cc[nH]c12)C(C)(C)C 814937732 OJWRNRZHQXOBHY-NSHDSACASA-N 243.354 3.526 30 20 BHED CC(C(=O)OCCCCC(C)(C)C#N)=C1CCC1 838236841 AXMVDVQGMGMDLP-UHFFFAOYSA-N 249.354 3.750 30 20 BHED CCCCCCCC(=O)N[C@@H]1C[C@H]1c1ccco1 839924065 FWZYYEWAQYWHAD-CHWSQXEVSA-N 249.354 3.612 30 20 BHED Cc1ccc(NN=C2CCc3ccccc32)cc1 916250419 DHGBOXARHBMGBO-UHFFFAOYSA-N 236.318 3.757 30 20 BHED Cc1cc(C)cc(NN=Cc2ccsc2)c1 916346778 UKTQRIORYBCCOJ-UHFFFAOYSA-N 230.336 3.811 30 20 BHED CC(C)CNN=Cc1ccc(Cl)c(Cl)c1 916366569 WVCWVYFINFUMDF-UHFFFAOYSA-N 245.153 3.573 30 20 BHED Cc1cccc(C=NN[C@@H](C)c2ccccc2)c1 920386326 XPXNQBPHJXMUKV-AWEZNQCLSA-N 238.334 3.680 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1c(C)cccc1F 935254193 XFPDMRBCXFLRIY-NSHDSACASA-N 235.302 3.675 30 20 BHED CC(C)(C)ON=Cc1ccccc1C1CC1 1324558629 PVDCBDOHUHOYCJ-UHFFFAOYSA-N 217.312 3.713 30 20 BHED C=C[C@](C)(CC)C(=O)N1CC[C@H]2CCCC[C@@H]2C1 1338724904 WVYBXAFFMYJRKV-IIAWOOMASA-N 249.398 3.627 30 20 BHED CN(CC1(CC#N)CC1)[C@H]1CCC[C@H]1C(C)(C)C 1653938634 SSHWPRJKZIEBCP-KGLIPLIRSA-N 248.414 3.827 30 20 BHED N#Cc1ccc(/C=C/C(=O)C2CCCCC2)cc1 7905586 KPTXTTDRABVTOW-ZHACJKMWSA-N 239.318 3.721 30 20 BHED Cc1cc(C#N)ccc1OC/C=C/c1ccccc1 37733056 OIXBHRFTIXVKLT-VMPITWQZSA-N 249.313 3.959 30 20 BHED C[C@H]1CCC[C@H](N(C)Cc2cccc(C#N)c2)C1 42240529 PQTQXLPLLYWNLK-BBRMVZONSA-N 242.366 3.569 30 20 BHED C=CCOc1ccc(-c2ccccc2)cc1C=O 66153100 NSZLOJUUGSMZNO-UHFFFAOYSA-N 238.286 3.731 30 20 BHED Cc1ccc(C(=O)/C=C/c2scnc2C)cc1 78691789 VWCDXDXHDDJWPK-BQYQJAHWSA-N 243.331 3.656 30 20 BHED C#CCCCCN[C@H](C)CCc1ccccc1F 90398145 UAFPCGGXBBWRSA-CQSZACIVSA-N 247.357 3.540 30 20 BHED CC[C@H](C)CN(CC)CCCC(C)(C)C#N 93250961 MSDZOGIENJTQGA-ZDUSSCGKSA-N 224.392 3.684 30 20 BHED C=CC[C@H](C)NCc1ccc(Cl)c(F)c1 116926875 LQKOLYOYHOAWKH-VIFPVBQESA-N 227.710 3.533 30 20 BHED C=CCCC(=O)CSc1ccc2c(c1)CCC2 134675579 BFNOJQSAVLEKAA-UHFFFAOYSA-N 246.375 3.803 30 20 BHED C=CCC[C@H](C)N[C@H](C)c1cccc(OC)c1 135712947 CNJRBSFOURBXTA-QWHCGFSZSA-N 233.355 3.701 30 20 BHED C=CCCSCc1cc(-c2ccco2)on1 151952808 NHDSAACOSRBNKA-UHFFFAOYSA-N 235.308 3.744 30 20 BHED CCOc1cccc(NCC(C)(C)CCC#N)c1 155979305 MEZPIDPYBSHAHB-UHFFFAOYSA-N 246.354 3.827 30 20 BHED CC(C)(C#N)CCN1CCC[C@@H]1c1ccccc1 157534856 UUXWKPRBBKAENV-OAHLLOKOSA-N 242.366 3.763 30 20 BHED C=C(C)CCN[C@H]1CCCC[C@@H]1C(C)C 168062720 YUMKQQKTBBWCFG-KGLIPLIRSA-N 209.377 3.757 30 20 BHED C=CCN(C(=O)C[C@@H](C)CC)c1ccccc1 191866158 IGDCYTDRUTZFNT-ZDUSSCGKSA-N 231.339 3.642 30 20 BHED Cc1cc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)c(C)o1 192774849 TUIOPMLIYGDDQL-FPMFFAJLSA-N 246.354 3.629 30 20 BHED COc1ccc(C#N)cc1CS[C@@H](C)C(C)C 227260672 SLJKIGMESDCFIX-NSHDSACASA-N 249.379 3.845 30 20 BHED CC(C)=CCNc1ccc(C#N)cc1Cl 232639339 YLOOIMNIDMWFKZ-UHFFFAOYSA-N 220.703 3.590 30 20 BHED N#CC1(CSc2ccccc2Cl)CC1 260152806 QCYSLKFVSYXWSV-UHFFFAOYSA-N 223.728 3.736 30 20 BHED CC[C@@H](CC(C)C)C(=O)Nc1ccccc1C#N 308094156 XARSGTBFVLYUON-LBPRGKRZSA-N 244.338 3.569 30 20 BHED C=CCCCCC[C@H](C)N[C@H]1CSC[C@H]1C 309540331 FRYITNWADVUVBI-RDBSUJKOSA-N 241.444 3.853 30 20 BHED CCC[C@@H](NCc1ccc(C#N)s1)C1CCC1 324819568 RRDSOOAPDFJKSQ-CQSZACIVSA-N 248.395 3.678 30 20 BHED C=CCCN(C)[C@H](C)c1ccc(F)cc1F 338545875 CQIZHMOWRRVZGL-SNVBAGLBSA-N 225.282 3.534 30 20 BHED C=CCN(Cc1cc2ccccc2o1)C1CC1 357530764 NDLMFUSMOYLWQZ-UHFFFAOYSA-N 227.307 3.583 30 20 BHED C=CCCCCNCc1cccc2[nH]ccc12 379769781 PICJWSIMLSQWNM-UHFFFAOYSA-N 228.339 3.614 30 20 BHED C=CCSCCN[C@H]1CCCC12CCCC2 392888136 MBXHFOPBUZWLFU-ZDUSSCGKSA-N 239.428 3.608 30 20 BHED C=CCC[C@H](N[C@@H]1C[C@H]1C1CCC1)C1CC1 424321153 GTMICBMTIHBCGV-SOUVJXGZSA-N 219.372 3.509 30 20 BHED CC1=CCC[C@H](C)[C@H]1CN(CC#N)C1CCCC1 443662760 VTEPVOWBTHJRSK-HOCLYGCPSA-N 246.398 3.747 30 20 BHED C=CC[C@H]1N(Cc2ccco2)CCCC1(C)C 446854852 COBRPDPVLHMDND-CQSZACIVSA-N 233.355 3.846 30 20 BHED CC1(C#N)CCC(N[C@@H](C2CCC2)C2CC2)CC1 453415960 INTQYIXOKOVANJ-PCKAHOCUSA-N 246.398 3.627 30 20 BHED C=CCCCCNC(=O)[C@@H](CCC)C(C)C 471673429 GSMHNPICQHGZCW-ZDUSSCGKSA-N 225.376 3.531 30 20 BHED C=CCN(Cc1ccc(F)cc1Cl)C1CC1 537855470 ZXNNFRKKCCXTKL-UHFFFAOYSA-N 239.721 3.630 30 20 BHED CC[C@H]1CCCC[C@H]1c1noc(C(C)(C)C#N)n1 551533542 AAMHKWXKRCVEAL-WDEREUQCSA-N 247.342 3.555 30 20 BHED N#CCCC1CCN(CC2CCCCCC2)CC1 563532727 MGPHVGMVINDUGF-UHFFFAOYSA-N 248.414 3.973 30 20 BHED CC(C)(C)OCCCSc1cccc(C#N)c1 610722495 MTQUVEDYDPQUDN-UHFFFAOYSA-N 249.379 3.856 30 20 BHED C[C@]12C[C@@H]1CCC[C@H]2Nc1cccc(C#N)c1 619724907 VMSILJPBNULFLW-CFVMTHIKSA-N 226.323 3.549 30 20 BHED C=CCN(Cc1cccc(COC)c1)C(C)(C)C 661757023 BKSVFLQCZJKKCU-UHFFFAOYSA-N 247.382 3.620 30 20 BHED C=CC[C@H](C)NC(=O)CCCC[C@H](C)CC 680202358 VISGVACXWBKNOJ-OLZOCXBDSA-N 225.376 3.674 30 20 BHED C=CCCC[C@@H](C)NC(=O)N(C)C(C)(C)CC 684915975 LCQQXFXGLOCKKB-GFCCVEGCSA-N 240.391 3.561 30 20 BHED CCON=C(C)c1cccc(Cl)c1Cl 734978545 LTOPKWGVQLIBEA-UHFFFAOYSA-N 232.110 3.754 30 20 BHED CCC(=NNc1ccc(Cl)cc1)C1CC1 741159318 FDQAMUKSARICEI-UHFFFAOYSA-N 222.719 3.928 30 20 BHED C=C(C)CCOC(=O)CCc1ccc(CC)cc1 744304069 CECBGUQPISPUCK-UHFFFAOYSA-N 246.350 3.691 30 20 BHED CC[C@H](C)C(C)=NNc1ncnc2ccsc12 764836076 SWLJNJIKFVWYTP-QMMMGPOBSA-N 248.355 3.525 30 20 BHED CCC(CC)(CC)CNc1cccc(CC#N)n1 771755778 IDOFSAFVDNEUDF-UHFFFAOYSA-N 245.370 3.776 30 20 BHED C=C(CC)CSc1ncnc2ccccc12 773210055 MZUMWFMQJBSNGL-UHFFFAOYSA-N 230.336 3.688 30 20 BHED CC(=NOC1CCCCC1)c1sccc1O 777457399 SQKJODZHWPXSEI-UHFFFAOYSA-N 239.340 3.527 30 20 BHED C[C@@H]1CCCC(=NN[C@@H]2CCCC2(C)C)C1 782301004 NLRJANXEWUQDSN-DGCLKSJQSA-N 222.376 3.721 30 20 BHED C1CCC(ON=C2CCC23CCCC3)C1 788725330 IXHFZKXDKRUCSQ-UHFFFAOYSA-N 207.317 3.656 30 20 BHED CC[C@H](C)NN=Cc1ccc2ccccc2c1 790184515 XBHXSYMLMMKUMI-LBPRGKRZSA-N 226.323 3.562 30 20 BHED CC(CC1CCCC1)=NN[C@H](C)C(C)(C)C 793115686 OSUOXVQAGNWQHW-GFCCVEGCSA-N 224.392 3.967 30 20 BHED Clc1cccc(NN=C2CCC23CCCC3)n1 793174974 PGTHLMLHZHLRGO-UHFFFAOYSA-N 249.745 3.857 30 20 BHED Fc1ccc(/C=C/C=NNCC2CCCC2)cc1 808006944 IKEAALGZFHQFIL-OTYHLKLTSA-N 246.329 3.605 30 20 BHED CC[C@@H]1C[C@@H](C)CCC1=NOCC1CC1 814245012 PUBNKVRSTJDMAX-CMPLNLGQSA-N 209.333 3.615 30 20 BHED CC[C@@H](C=NOCCOC(C)C)c1ccccc1 814936824 LDTWYTUCYCFADN-AWEZNQCLSA-N 249.354 3.608 30 20 BHED C=CC[C@H](N[C@@H]1CC=C(C)CC1)c1ccncc1 816551703 LXQGVZZCKFNMTN-CVEARBPZSA-N 242.366 3.787 30 20 BHED CCCCCCCCCN1CCc2nc[nH]c2C1 859305201 CWEBBXVOMLFNAM-UHFFFAOYSA-N 249.402 3.518 30 20 BHED C=CCC1(NCC2CC(F)(F)C2)CCCCC1 859744825 JTLKNTWWTUAWDE-UHFFFAOYSA-N 243.341 3.900 30 20 BHED C=CCN(Cc1ccc2[nH]ccc2c1)C(C)C 862224749 TUIGUHRDGFZTTM-UHFFFAOYSA-N 228.339 3.564 30 20 BHED C=C1CC(c2noc([C@H]3C[C@@]3(C)C(C)C)n2)C1 896884645 STFRAUIKKWMPLD-RISCZKNCSA-N 232.327 3.653 30 20 BHED C=C1CCC(C(=O)N2CC(C)(C)[C@H]2C(C)C)CC1 897839799 QGVVCYKJPZXYHO-CQSZACIVSA-N 249.398 3.626 30 20 BHED C=C(Cl)CN1CCC[C@@H]1c1ccc(C)cc1 913391802 CPJXPDNSAIXPEU-CQSZACIVSA-N 235.758 3.884 30 20 BHED Cc1ccc(C=NNc2ccccc2)c(C)c1 916246053 WPRKDDKELKNHRU-UHFFFAOYSA-N 224.307 3.749 30 20 BHED CCCC(CCC)=NNc1cccc(C(=O)O)c1 20754636 ONRQBVUPTNHAPM-UHFFFAOYSA-N 248.326 3.753 30 20 BHED CCCCCC[C@@H](C)NCCCCC#N 42222753 BKHBYWOTZNZWOB-CYBMUJFWSA-N 210.365 3.629 30 20 BHED CC[C@H](CC#N)NC1CC(c2ccccc2C)C1 54183504 BRZJHMQGIBMASZ-SHARSMKWSA-N 242.366 3.523 30 20 BHED C[C@H]1CCC[C@@H](Sc2ccc(C#N)cn2)C1 54690680 USSHCOKBLKFXGX-CMPLNLGQSA-N 232.352 3.624 30 20 BHED C[C@H](N(C)Cc1ccc(C#N)cc1F)C(C)(C)C 55481938 YXWSRCOVYJCFLI-NSHDSACASA-N 248.345 3.564 30 20 BHED N#Cc1ccc(OC2CCCC2)cc1Cl 61851304 CJNYNBSSJXXPSP-UHFFFAOYSA-N 221.687 3.533 30 20 BHED Cc1ccc(NCC2(CC#N)CC2)cc1Cl 83853511 PUBLXAJHISPWLH-UHFFFAOYSA-N 234.730 3.754 30 20 BHED C=C[C@H](C)N[C@H](C)c1cc(C)ccc1C 98130026 LFBQDKOGYKNHKA-QWHCGFSZSA-N 203.329 3.529 30 20 BHED C#Cc1ccc(-c2ccccc2)c(Cl)c1 98181114 KZWPOBXMZZFDFU-UHFFFAOYSA-N 212.679 3.988 30 20 BHED CCCCCCCCCCC(=O)N1CCC1 126779729 ZUZFDQSENMMUPD-UHFFFAOYSA-N 225.376 3.750 30 20 BHED C=CCC[C@H](NC(=O)[C@H](C)CC)c1ccccc1 133937047 CNYFBXLWPNRXCY-HIFRSBDPSA-N 245.366 3.856 30 20 BHED C=C(CN[C@@H](C)C1CCCC1)c1ccccc1 134370102 TUZQSOVKUPNSTL-AWEZNQCLSA-N 229.367 3.868 30 20 BHED C=CC[C@@H](C)N[C@@H](c1ccccc1)C1CC1 162083607 ITPPURMVRJOPHS-DOMZBBRYSA-N 215.340 3.692 30 20 BHED N#CCC[C@@H](Nc1ccccn1)c1ccccc1 164338231 IQSZIJFJKHCWKV-CQSZACIVSA-N 237.306 3.539 30 20 BHED C=C(C)CCN[C@H](C)c1cccc(Cl)c1 168051374 XJISLMOJKKXTPW-LLVKDONJSA-N 223.747 3.957 30 20 BHED C=CC[C@@H](C)Nc1nc(-c2ccccc2)ns1 185434605 VKFWXYMQWUOYFV-SNVBAGLBSA-N 245.351 3.582 30 20 BHED CC[C@@H]1CC[C@H](C)N1CCCCC(C)(C)C#N 233918308 BJVLMVRFTTUATK-UONOGXRCSA-N 236.403 3.969 30 20 BHED CCCC[C@H](C)Nc1cc(C)cc(C#N)c1 308101877 IBKLDOFXLCHZHL-LBPRGKRZSA-N 216.328 3.857 30 20 BHED C[C@@H]1CCCC[C@@H]1Nc1cccc(CC#N)c1 313421847 CKTXNNHVYVTFQZ-DOMZBBRYSA-N 228.339 3.743 30 20 BHED C=C(CC)CSc1ncnc2ccsc12 358572020 PVXUYUKUAZIWLI-UHFFFAOYSA-N 236.365 3.750 30 20 BHED C=C(C)CCN[C@H](CC)c1ccc(F)cc1 381392258 OKVIVIMQDIUCDU-CQSZACIVSA-N 221.319 3.833 30 20 BHED C=CCCCN[C@@H](C)c1ccc(F)c(C)c1 390477647 LKCYCJMKJYDTRD-LBPRGKRZSA-N 221.319 3.751 30 20 BHED C=CCCC1(C(=O)N[C@@H](CC)C2CCCC2)CC1 411074981 WYASVTFBAOALQS-AWEZNQCLSA-N 249.398 3.818 30 20 BHED CCC1(CC)CCN([C@H](C)CCC#N)CC1 411558099 FAANFSDAVXFQHB-CYBMUJFWSA-N 222.376 3.581 30 20 BHED CC(=O)c1cccc(CSCCCCC#N)c1 419502982 GMLYDQXTDGCCKZ-UHFFFAOYSA-N 247.363 3.816 30 20 BHED CC#CCN(C(C)C)[C@H](C)c1ccsc1 421011801 PLYWVAAVMXVHQE-GFCCVEGCSA-N 221.369 3.543 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[C@H]1C1CC1 424902757 XSPMBSVYTYYMNS-KBPBESRZSA-N 249.398 3.531 30 20 BHED CCN(CCCCC#N)c1ccccc1Cl 441382284 RGSDPJWDQBVJDK-UHFFFAOYSA-N 236.746 3.860 30 20 BHED C=C(C)CN(C)C(=O)C[C@H](CC)CCCC 479245994 OSOARLFTYDUXPD-CYBMUJFWSA-N 225.376 3.627 30 20 BHED C=CCCCC(=O)NC[C@@H](CC)CCCC 479522116 MPJKWIFLJHBTPG-ZDUSSCGKSA-N 225.376 3.675 30 20 BHED CC(C)[C@@H]1CCC[C@H](Nc2ncccc2C#N)C1 505582845 VWZLKQQVQLQLIS-OCCSQVGLSA-N 243.354 3.580 30 20 BHED C=CCN(CC1CCCCC1)CC(F)(F)F 511969991 BNBYQOLHRXLDKL-UHFFFAOYSA-N 235.293 3.617 30 20 BHED C=CCc1ccccc1OCc1scnc1C 571330511 KOWAKVABIZAMML-UHFFFAOYSA-N 245.347 3.759 30 20 BHED C=CCCCCSCCc1c(C)noc1C 573585585 LZFOUMCRTGUGCG-UHFFFAOYSA-N 239.384 3.923 30 20 BHED Cc1ccc(F)cc1CON=Cc1cccs1 588547048 AQZNFVZACXTWSW-UHFFFAOYSA-N 249.310 3.746 30 20 BHED CC(C)c1cnc(-c2ccc(C#N)s2)s1 600777054 RBNBCCQWQLUAHY-UHFFFAOYSA-N 234.349 3.867 30 20 BHED C=CCC[C@H](C)N[C@@H]1CC[C@@H]1c1ccccc1 658264298 PXMHJPHGYPUDMO-NUEKZKHPSA-N 229.367 3.877 30 20 BHED C[C@@H](CCC#N)N[C@H](C)C1CCCCCC1 695813137 RVHIPHWURYSYRD-QWHCGFSZSA-N 222.376 3.627 30 20 BHED CC(=NOCc1ccccc1)c1sccc1C 733744837 SPMMNEHTEFUXEX-UHFFFAOYSA-N 245.347 3.997 30 20 BHED CCC(CC)=NNc1cc(F)c(F)c(F)c1 747642608 QUXNULXWLNGMLP-UHFFFAOYSA-N 230.233 3.692 30 20 BHED C=CCCCC(=O)N[C@@H](C)CCCCCC 748292920 XPOKXYJGHUBOLK-ZDUSSCGKSA-N 225.376 3.818 30 20 BHED C=C(Cl)CN(C)C1CCC(CC)CC1 749116252 MJABVTMNFFYRPD-UHFFFAOYSA-N 215.768 3.640 30 20 BHED CCCCCC=NOCc1ccccc1 755633395 UFTQRHJONVMCIH-UHFFFAOYSA-N 205.301 3.769 30 20 BHED Cc1ccccc1C1CC(=NOCC(F)F)C1 758911887 QYMADXDQOVEZCU-UHFFFAOYSA-N 239.265 3.510 30 20 BHED C=CCCC(=O)O[C@@H](C)c1c(C)cccc1C 765983160 MMMCFPPIKIETDR-ZDUSSCGKSA-N 232.323 3.874 30 20 BHED CCON=Cc1cccc(Oc2ccccc2)c1 767464425 OWELFSBZIXULQX-UHFFFAOYSA-N 241.290 3.849 30 20 BHED Fc1cc(Cl)c(NN=CC2CC2)c(Cl)c1 767909202 FHKVSOAMPKSWGO-UHFFFAOYSA-N 247.100 3.940 30 20 BHED CC[C@@H](C)CON=C(C)Cc1ccsc1 793147084 YMFGGLUWNLYKAJ-SNVBAGLBSA-N 225.357 3.729 30 20 BHED CC(C)(C)CC=NNc1cccc(Cl)n1 793160993 GQPIEYOISFXANA-UHFFFAOYSA-N 225.723 3.569 30 20 BHED CCCC[C@H]1CCCC1=NNc1cccc(F)n1 795009502 BFABDHAUHLTBEX-NSHDSACASA-N 249.333 3.979 30 20 BHED COc1cccc(NN=C[C@@H]2CC[C@@H](C)C2)c1 800809402 MQWRAVRAGMBYPO-VXGBXAGGSA-N 232.327 3.529 30 20 BHED C=CCCCCCCCNc1nnc(C2CC2)o1 811847719 BPXHHFFQVYEKTF-UHFFFAOYSA-N 249.358 3.886 30 20 BHED Cc1ccc(C=NOC2CCC2)cc1Cl 812235226 PLTWVDXUOJVBGY-UHFFFAOYSA-N 223.703 3.551 30 20 BHED CC[C@@H]1CCC[C@@H](C=NOC2CCC2)C1 812235920 RYWBEDIMAANGOF-VXGBXAGGSA-N 209.333 3.758 30 20 BHED CC(=NOC1CCC1)c1csc(Cl)c1 812237207 PFHKNYQQRDDQAP-UHFFFAOYSA-N 229.732 3.695 30 20 BHED C=CCCCCNc1ccccc1O[C@@H](C)C#N 834569954 ALIRTRXKUAFDBC-ZDUSSCGKSA-N 244.338 3.746 30 20 BHED Cc1cccc(NN=C2CCCCC[C@H]2C)n1 863160417 DGVQTAFAWQOKAT-LLVKDONJSA-N 231.343 3.758 30 20 BHED Cc1ccc(C=NNc2cccc(C#N)c2)cc1C 915958652 PPPZJVJSQFPTBX-UHFFFAOYSA-N 249.317 3.621 30 20 BHED CC[C@@H](C)N1CCC(c2ccc(C#N)cc2)CC1 1257445719 CYJAUZDVQXUUHM-CYBMUJFWSA-N 242.366 3.536 30 20 BHED CO[C@@H](C(C)=NOC(C)(C)C)c1ccccc1 1324770440 ATBPGHPEPYAFSV-ZDUSSCGKSA-N 235.327 3.565 30 20 BHED C[C@@H](C#N)N(CC[C@H]1CCC[C@@H](C)C1)C1CC1 1654165037 LLXJLMMCSAOTFM-HZSPNIEDSA-N 234.387 3.579 30 20 BHED N#Cc1cc(Cl)ccc1N1CCCCCCC1 52859556 SSTRDWLSFWUQHJ-UHFFFAOYSA-N 248.757 3.982 30 20 BHED C[C@@H]1CCC[C@@H](Sc2cc(C#N)ccn2)C1 54690670 IMEVGEZBPFZCAY-ZYHUDNBSSA-N 232.352 3.624 30 20 BHED CC[C@@H]1CCC[C@H](NCc2cccc(C#N)c2)C1 83640187 FQVXAWDRGZQDIP-CJNGLKHVSA-N 242.366 3.617 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCC2 163313571 DQLZSNNZUNEGAU-OLZOCXBDSA-N 229.367 3.791 30 20 BHED C=CCCCC(=O)N1CCCC[C@@H]1CC(C)C 176962404 UWXBIOXTXHSKQD-CQSZACIVSA-N 237.387 3.770 30 20 BHED CCC[C@@H](Cc1ccccc1)NCCCCC#N 178643987 NTFFRVSKKKVLPJ-INIZCTEOSA-N 244.382 3.681 30 20 BHED CCCC1(CN[C@@H](C)c2cccc(C#N)c2)CC1 182016486 PNVQQWXIJIXJHY-ZDUSSCGKSA-N 242.366 3.789 30 20 BHED C[C@H](SCCCC(C)(C)C#N)c1cnccn1 185701092 CDWXRSULHZHMTI-NSHDSACASA-N 249.383 3.601 30 20 BHED C#CCCCC(=O)N1CCCCC[C@H]1CC(C)C 192344723 MRYLTFUYTWYEJJ-HNNXBMFYSA-N 249.398 3.607 30 20 BHED C=CCSCCNc1ccnc2ccccc12 218872654 YURYVWPMTMUIAE-UHFFFAOYSA-N 244.363 3.566 30 20 BHED C=CCCN[C@H](C)c1csc(Cl)c1 235186516 LXKIQRNWHNPMDS-MRVPVSSYSA-N 215.749 3.628 30 20 BHED COc1cccc(/C=C\C(=O)c2ccsc2)c1 255210607 WXNPZGPGGCBGFI-WAYWQWQTSA-N 244.315 3.653 30 20 BHED CC(C)(C#N)CCSC1=Nc2ccccc2C1 266224360 GGFKZMJQNGUWCA-UHFFFAOYSA-N 244.363 3.946 30 20 BHED C[C@@H](CCC#N)N[C@@H](C)C(C)(C)c1ccccc1 276310026 LZWAENOJAKCHGF-KBPBESRZSA-N 244.382 3.635 30 20 BHED N#Cc1cccc(Cl)c1N[C@H]1CC[C@@H](F)C1 309579120 PTQLKIYKLONATO-ZJUUUORDSA-N 238.693 3.514 30 20 BHED C#Cc1cccc(N[C@H](C)CCC2CC2)c1 309772355 OWBYJBJRFPKJBN-GFCCVEGCSA-N 213.324 3.659 30 20 BHED C=C(CC)CN[C@@H](C)c1cnc2ccsc2c1 313493733 GFJUQKZHWAQRRS-NSHDSACASA-N 246.379 3.913 30 20 BHED N#CCCCSCCCc1ccsc1 359068816 GVYLFJNWFDDGIC-UHFFFAOYSA-N 225.382 3.718 30 20 BHED CC[C@@H](SCCC#N)c1ccc(F)cc1 413017664 ZWVVRPMQZALETJ-GFCCVEGCSA-N 223.316 3.924 30 20 BHED C=C(C)C[C@H](C)C(=O)Nc1cc(C)c(O)cc1C 444664543 RDDJDALIVQWXOD-LBPRGKRZSA-N 247.338 3.550 30 20 BHED C=C(CC)CN[C@@H]1CCC[C@@H]1c1ccccc1 446001319 JQPVARLLNUEFAC-HZPDHXFCSA-N 229.367 3.879 30 20 BHED C=CCC[C@H](CCC)N[C@H](C)c1nccn1CC 449563560 WJXWDLBYYXFKLC-KGLIPLIRSA-N 249.402 3.689 30 20 BHED N#CCc1cccc(N[C@H]2CCC[C@@H]2C2CC2)c1 449697263 LHUCGKKJDGVRBW-CVEARBPZSA-N 240.350 3.743 30 20 BHED C[C@@H](c1ccccc1F)N(C)CC1(C#N)CCC1 450270588 NIMDELJYSKJVHT-LBPRGKRZSA-N 246.329 3.512 30 20 BHED C=CCCN(C)C(=O)[C@@H](CC)CC1CCCC1 467048991 FVTUBNIFWWNLBV-AWEZNQCLSA-N 237.387 3.627 30 20 BHED CCCC[C@H](C)Nc1cc(C#N)ccc1OC 468515378 LYCPOQXKWLYHGT-NSHDSACASA-N 232.327 3.557 30 20 BHED CCC[C@@](C)(CC)C(=O)Nc1cccc(C#N)c1 474079671 MAEYXDYCNVQNNW-OAHLLOKOSA-N 244.338 3.713 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCC1(OC)CCCCC1 480703648 BFCKWLBNNCQORP-ZIAGYGMSSA-N 239.403 3.526 30 20 BHED C=CCCCCCN1CCCC2(CC2)C1 488004477 WRIUHOKRNFXSCX-UHFFFAOYSA-N 207.361 3.609 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 509279115 MPBVFBPNTXNPRR-UONOGXRCSA-N 249.398 3.674 30 20 BHED C=CCCN1CCC[C@H](Cc2ccc(C)cc2)C1 577546172 ZJMNAXMTWLZFKZ-QGZVFWFLSA-N 243.394 3.826 30 20 BHED C=CCCc1nc([C@H]2CCCC[C@H]2CC)no1 580729297 YQRJLSBACAIRBY-NEPJUHHUSA-N 234.343 3.872 30 20 BHED CC[C@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)o1 584865377 ASHVNYJAUHKZCU-SWLSCSKDSA-N 246.354 3.552 30 20 BHED C=CCCSC[C@H](CC)CC(F)F 596343807 XBELFMZDBCJOKF-SECBINFHSA-N 208.317 3.977 30 20 BHED C=CCCN[C@H](C)CCc1c[nH]c2ccccc12 631646161 HCSXPBQUNXCLLM-CYBMUJFWSA-N 242.366 3.655 30 20 BHED CCCCCCCOc1nc(C(C)C)no1 730731180 LTBBYAXQVNTXCH-UHFFFAOYSA-N 226.320 3.542 30 20 BHED CCC(=NNc1ccc(F)cc1F)C1CC1 741159679 CGSHHVBSSXXPQB-UHFFFAOYSA-N 224.254 3.553 30 20 BHED C#CCN(C)[C@H](C)c1cc(Cl)ccc1Cl 746126244 XXOCQSYJXZNGOL-SECBINFHSA-N 242.149 3.619 30 20 BHED CCCCCCCCNC(=O)N(C)CC(C)C 754863172 QIMCYPNRQQKEEE-UHFFFAOYSA-N 242.407 3.644 30 20 BHED C=CCCOC(=O)C1(Cc2ccccc2)CCC1 757883550 MKLYTQACCCDPKU-UHFFFAOYSA-N 244.334 3.519 30 20 BHED CCC(CC)=NNCc1cnc2ccccc2c1 764776318 WRBIZIDDYOHHHC-UHFFFAOYSA-N 241.338 3.500 30 20 BHED CON=C(C)CC12CC3CC(CC(C3)C1)C2 767477739 GSTYOJDFLGHWSK-UHFFFAOYSA-N 221.344 3.615 30 20 BHED CC[C@H](C)C=NNc1nc2ccccc2cc1C 776784677 MYZWRVQSWGNSPK-NSHDSACASA-N 241.338 3.987 30 20 BHED CC(=NNc1ccccc1)C1CCSCC1 777418914 QKROTQLJVXLFQT-UHFFFAOYSA-N 234.368 3.618 30 20 BHED CCCC(CCC)=NNc1ccc2[nH]ncc2c1 779819259 QXECLEMAUDCOPI-UHFFFAOYSA-N 244.342 3.931 30 20 BHED C=C(C)CNc1cc(F)c(OC(C)C)c(F)c1 783885714 NBMXQTBJNRSLDK-UHFFFAOYSA-N 241.281 3.740 30 20 BHED C1CCC(ON=C2CCC3(CC2)CC3)C1 792634368 AHNXVRNHRDDPSA-UHFFFAOYSA-N 207.317 3.656 30 20 BHED CC[C@H]1CCCC1=NNc1cccc(Cl)n1 793160530 BQVKSJJOQALAFA-VIFPVBQESA-N 237.734 3.713 30 20 BHED C=CCCCCCCNC(=O)[C@H](C)c1ccco1 805218963 QSKFXYFYHKGXAD-CYBMUJFWSA-N 249.354 3.636 30 20 BHED c1ccc(C[C@@H]2CCCC2=NOCC2CC2)cc1 814241216 GKKUZAWZNBJVFV-HNNXBMFYSA-N 243.350 3.812 30 20 BHED c1ccc(C2CC(=NNC3CCCCC3)C2)cc1 814909329 KMNUPRIJAQVAKA-UHFFFAOYSA-N 242.366 3.842 30 20 BHED C[C@H](NN=C[C@@H]1CCCC[C@H]1C)c1ccncc1 819817276 ZJQZKPCENCTRDF-IPYPFGDCSA-N 245.370 3.544 30 20 BHED CCC[C@H](C)C=NNc1cccc(C(=O)O)c1C 844625357 ZVTORHOHSOJISY-JTQLQIEISA-N 248.326 3.527 30 20 BHED C[C@@H](CC(C)(C)C#N)OC(=O)C1=CC[C@H](C)CC1 851206587 VAXIEWOBZAONAJ-RYUDHWBXSA-N 249.354 3.604 30 20 BHED C=C[C@@H](C)ON=C[C@@H](C)c1ccc(C)cc1 863124120 QZTAXWFZEUUJDM-CHWSQXEVSA-N 217.312 3.675 30 20 BHED C[C@H](CCC#N)CNC(C)(C)c1ccc(F)cc1 877007337 MGBAVLRATJAYKR-GFCCVEGCSA-N 248.345 3.590 30 20 BHED C=CC(C)(C)c1nnc(-c2cc(C)cs2)o1 1329292295 IALJHXQEULTEAS-UHFFFAOYSA-N 234.324 3.570 30 20 BHED C[C@H]1CCC[C@@H]([C@H](C)Nc2ccc(C#N)cn2)C1 1559213567 XMMFOUUTLLYQPG-SGMGOOAPSA-N 243.354 3.580 30 20 BHED C[C@@H](Nc1cccc(C#N)c1)C1CCCC1 54077405 JRIZPIVIORCLIB-LLVKDONJSA-N 214.312 3.549 30 20 BHED CCC1(CC)CCN(CCCCC#N)CC1 62953850 VMONDXLSVOMAEB-UHFFFAOYSA-N 222.376 3.582 30 20 BHED C=CCCCSc1nnc(SCC)s1 117546088 BYNRNEXDTXKYEY-UHFFFAOYSA-N 246.426 3.708 30 20 BHED C=CCSCCN[C@H](C)c1ccccc1C 129368730 WLSWDEQPLFFJRX-CYBMUJFWSA-N 235.396 3.565 30 20 BHED CCc1cccc(NCC(C)(C)CCC#N)c1 135156882 ZYTXTCFPWUPZIX-UHFFFAOYSA-N 230.355 3.991 30 20 BHED C=CC[C@H](C)[C@@H](C)Nc1ccc(CC#N)cc1 184745777 UIHKMQAWVBQVJO-QWHCGFSZSA-N 228.339 3.765 30 20 BHED C=CCOc1ccccc1C(=O)OCCCCC 195597807 ZVHVQNDMIXEQHR-UHFFFAOYSA-N 248.322 3.598 30 20 BHED C[C@H](SCCC(C)(C)C#N)c1cccnc1 289438791 RYJNUJHRTDSACY-NSHDSACASA-N 234.368 3.816 30 20 BHED C=CCCCCCCN[C@@H](C)c1cc(C)n(C)n1 293970141 ASPFZDPUWYEKSP-AWEZNQCLSA-N 249.402 3.516 30 20 BHED CCSCC[C@@H](C)N(C)c1ccc(C#N)cc1 301437110 MTEOSXBMXDTZFO-GFCCVEGCSA-N 248.395 3.526 30 20 BHED CCc1ccc(NCCC(C)(C)C#N)cc1C 306070257 ZYCLOKJPELVHLO-UHFFFAOYSA-N 230.355 3.909 30 20 BHED C=CCC[C@@H](C)N[C@H](C1CCC1)C1CC1 325044842 NQDCAIOKILITNB-BXUZGUMPSA-N 207.361 3.509 30 20 BHED C=CC[C@H](CC)Nc1ccc(Cl)cn1 379593237 BKPDXMJEGAULPT-JTQLQIEISA-N 210.708 3.502 30 20 BHED C#C[C@@H](NCc1sccc1Cl)C(C)(C)C 389915973 NAIJGZBQLHUYRO-LLVKDONJSA-N 241.787 3.539 30 20 BHED C=CCC1(CN[C@H](C)c2ccccn2)CCCC1 449606235 PYSFOKMJALZPQS-CQSZACIVSA-N 244.382 3.869 30 20 BHED CC(C)=CCC[C@H](C)NCC(C)(C)CC#N 459732830 PNVVPODOAHRINA-ZDUSSCGKSA-N 222.376 3.651 30 20 BHED C=C(C)CN1C[C@@H](C)C[C@H]1c1ccccc1F 464724843 KDVTYYVHURKEHT-WFASDCNBSA-N 233.330 3.785 30 20 BHED C=CCCCCNC(=O)C(C)(C)CC(C)C 471708407 DGLHDMBWYYOPGJ-UHFFFAOYSA-N 225.376 3.531 30 20 BHED CC#CCN[C@H](c1cccc(F)c1)C(C)(C)C 540424324 JXQZQJHZBFHOQQ-CQSZACIVSA-N 233.330 3.526 30 20 BHED C=CCC[C@H](C)NCC(F)(F)c1ccccc1 574865868 CCTUPRXTHNONMQ-LBPRGKRZSA-N 239.309 3.723 30 20 BHED N#C[C@@H]1CC[C@@H](N2CC[C@@H](C3CCCCC3)C2)C1 595731587 ATASPWASPJADDA-FVQBIDKESA-N 246.398 3.581 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2CC)C1 617779368 ZPPRYRAGFDEUCB-RBSFLKMASA-N 249.398 3.627 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C[C@H]2CC[C@@H](C)C2)C1 617783259 WVTINCRCFKEURK-KFWWJZLASA-N 249.398 3.627 30 20 BHED C=CCC1(CN[C@@H](C)c2c[nH]nc2C)CCCC1 651461924 DGUODZMBVPNCOS-LBPRGKRZSA-N 247.386 3.505 30 20 BHED Cc1ccc(OCCSCCCCC#N)cc1 742796443 CGTVQAXUCCYXMD-UHFFFAOYSA-N 249.379 3.801 30 20 BHED CCCCCC(C)=NOCc1cccnc1 746587159 HDPJQASBYKVDAX-UHFFFAOYSA-N 220.316 3.554 30 20 BHED CCCCCCCCC(=O)N1CC=C(C)CC1 756032604 HYRHJMDFURXXIO-UHFFFAOYSA-N 237.387 3.916 30 20 BHED CCCCCCN[C@@H](C)c1ccc(C#N)c(F)c1 776726353 WOQJQOMQVSYEEP-LBPRGKRZSA-N 248.345 3.928 30 20 BHED C[C@@H](NN=Cc1sccc1Cl)C(C)(C)C 793114086 DKVYDCGIMBHHKU-MRVPVSSYSA-N 244.791 3.760 30 20 BHED CC(=NN[C@H](C)C(C)(C)C)c1sccc1C 793116793 UTGALJSOYLKPNN-LLVKDONJSA-N 238.400 3.805 30 20 BHED CC[C@@H](C)CON=C1CC[C@@H]1c1ccccc1 793146872 VYKOKPLJSKCKHN-TZMCWYRMSA-N 231.339 3.983 30 20 BHED C[C@@H](C#N)OCCSCC1CCCCCC1 802750538 AXFHSCCPYJDMRH-LBPRGKRZSA-N 241.400 3.619 30 20 BHED c1ccc([C@H]2CCCC2=NOCCC2CC2)nc1 814246867 GMUYLHPFVBVMGM-CYBMUJFWSA-N 244.338 3.522 30 20 BHED C[C@@H]1CCC(=NNc2cccc3cnccc23)C1 814836633 WPOVYLVVHFZVDK-LLVKDONJSA-N 239.322 3.823 30 20 BHED CCC(C=NO[C@H]1CCCCO1)(CC)CC 814887974 USJQCOMEEPVVBN-LBPRGKRZSA-N 227.348 3.732 30 20 BHED CC(Cc1ccc(F)cc1)=NOC1CCCC1 814893827 CVDNKFCKPNCKKA-UHFFFAOYSA-N 235.302 3.703 30 20 BHED CC(C(=O)O[C@H](C)CC(C)(C)C#N)=C1CCCC1 851208079 NPSWLAXDFZZRNC-LLVKDONJSA-N 249.354 3.748 30 20 BHED CCC(CC)=NNc1ncccc1C(F)(F)F 915050744 ALRPZCDZTIUXKV-UHFFFAOYSA-N 245.248 3.688 30 20 BHED CC(C)c1ccc(C=NNc2ccccn2)cc1 916276193 OXORRSFVHMEMRH-UHFFFAOYSA-N 239.322 3.651 30 20 BHED C=C[C@@H](CC)CC(=O)N(C)Cc1ccc(C)cc1 929303530 GQVZBZQGCYXJRW-AWEZNQCLSA-N 245.366 3.556 30 20 BHED Cc1ccc(Oc2ncccc2C#N)cc1Cl 1186706803 XKBFSWKKDXKKHR-UHFFFAOYSA-N 244.681 3.707 30 20 BHED Cc1cc(CSc2cc(C#N)ccn2)cs1 1188626894 DHOWDFFYCIKABR-UHFFFAOYSA-N 246.360 3.616 30 20 BHED COc1cccc([C@@H](C)SCC2(C#N)CC2)c1 1307316251 DZSJULJQDTZGIB-LLVKDONJSA-N 247.363 3.793 30 20 BHED C=CCCCCCOc1ccc(C=O)c(OC)c1 1320899117 DBKFBFUBFLDZCD-UHFFFAOYSA-N 248.322 3.633 30 20 BHED C=C(C)CCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 1335711451 AECHIQHPEACUOO-SOUVJXGZSA-N 249.398 3.770 30 20 BHED CC[C@@H](C)[C@H](C)Nc1ccc(CC#N)cc1 37071194 WGMLUYCKHDMYMB-NEPJUHHUSA-N 216.328 3.599 30 20 BHED CC[C@H](N[C@H](CC)CC#N)c1ccc(F)cc1 54183055 JLGUHPHETCHVDE-KGLIPLIRSA-N 234.318 3.559 30 20 BHED CC(C)[C@H]1CCCN(c2ccc(C#N)cc2)CC1 71029188 CZJHZRIZXZLHAY-HNNXBMFYSA-N 242.366 3.821 30 20 BHED C=CCCC(=O)Nc1cc(Cl)ccc1Cl 72080061 IZDLRHLGZKXGCI-UHFFFAOYSA-N 244.121 3.898 30 20 BHED CCCCCCCOc1ccccc1NC(C)=O 123437584 RXQDIBXLLIRYPM-UHFFFAOYSA-N 249.354 3.994 30 20 BHED CC[C@@H](NCCCCC#N)c1ccc(C)cc1 131043928 NTUYSCMRGQNLCV-OAHLLOKOSA-N 230.355 3.730 30 20 BHED C=CCC[C@H](N[C@H]1CC[C@H](SC)C1)C1CC1 133961149 PLWUBHOHIJNINU-IHRRRGAJSA-N 239.428 3.605 30 20 BHED C=C[C@H](C)NC1CC(c2ccc(Cl)cc2)C1 154252177 OHZVRGWECNUDMK-JKDOVBDQSA-N 235.758 3.750 30 20 BHED CC#CCCN1CCC[C@@H]1c1ccc(C)s1 155716166 HJUUPVXEYWEYRT-CYBMUJFWSA-N 233.380 3.607 30 20 BHED Cc1cc(F)ccc1OCc1cccc(C#N)c1 163176089 XPWURRBDIGTJAC-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cc2cccc(OC)c2o1 164612508 DMMLFKHAANBNKT-MNOVXSKESA-N 245.322 3.667 30 20 BHED C=CCCCC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 176075564 SPVFUZQHGFDZSS-XJKSGUPXSA-N 243.350 3.562 30 20 BHED C=CCCCC(=O)N(C)c1ccc(C)cc1C 177584120 RACLOSAUIOJADG-UHFFFAOYSA-N 231.339 3.623 30 20 BHED C=CC[C@H](C)Nc1nc(-c2ccccc2)ns1 185434585 VKFWXYMQWUOYFV-JTQLQIEISA-N 245.351 3.582 30 20 BHED C=CCCC[C@H](C)N[C@H](C)C1CCSCC1 187422451 RRTHDCYMKRQMHK-QWHCGFSZSA-N 241.444 3.853 30 20 BHED C#CCCCC(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 192176497 ZCJKBRVJPZAAOK-LSDHHAIUSA-N 249.398 3.511 30 20 BHED N#C[C@@H]1CCC[C@@H](NCCC2=CCCCCC2)C1 193294413 CGZUVGXIPGLRIB-HZPDHXFCSA-N 246.398 3.939 30 20 BHED C=CC[C@H](C)[C@H](C)Nc1ccc(COC)cc1 193420339 RNXYZECQRMEPSO-STQMWFEESA-N 233.355 3.846 30 20 BHED CCCCCCCCOC(=O)c1ccoc1 219154994 ACUFNYXXYYVBEQ-UHFFFAOYSA-N 224.300 3.797 30 20 BHED N#Cc1ccnc(SC2CCCC2)c1Cl 236060592 FFQHJTRBMFUEGJ-UHFFFAOYSA-N 238.743 3.641 30 20 BHED N#Cc1ccnc(Oc2cccc(F)c2)c1Cl 236212159 UJEMWLMHEMVNCH-UHFFFAOYSA-N 248.644 3.538 30 20 BHED CC(C)CCC[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 248711786 BKKKTIFHRAVHBG-ZNMIVQPWSA-N 236.403 3.873 30 20 BHED C=C(Cl)CN[C@@H]1CC[C@H]2CCCC[C@H]2C1 252733357 YZSGKEWVPBJFGK-FRRDWIJNSA-N 227.779 3.687 30 20 BHED CC[C@H](C#N)SC[C@H](C)c1ccccc1 280031321 VXBUEYANPJNTAD-WCQYABFASA-N 219.353 3.825 30 20 BHED C=CCCN(C)C(=O)c1cccc(C2CCC2)c1 282180873 KAQDIFMIKCOIQX-UHFFFAOYSA-N 243.350 3.602 30 20 BHED C=CCCCCCCNCc1cnc(C)s1 309222192 QVBRBKQXNQASKF-UHFFFAOYSA-N 238.400 3.678 30 20 BHED N#Cc1cnccc1/C=C\c1cccc(Cl)c1 347426795 IKMFJJIVCBXFNC-PLNGDYQASA-N 240.693 3.777 30 20 BHED C=CC[C@@H](C)[C@H](C)NCCCC(F)(F)F 389871021 JMEQZJOUZZUVLL-ZJUUUORDSA-N 223.282 3.519 30 20 BHED CC(C)N(CCC1(C#N)CCCCC1)C1CC1 411171665 FAVGBMWHWYEUOZ-UHFFFAOYSA-N 234.387 3.723 30 20 BHED CC(C)C[C@]1(C)CCCN1CCC(C)(C)C#N 451291666 QLQXURNOOYHMCW-HNNXBMFYSA-N 236.403 3.827 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCCC1CC(F)(F)C1 453416056 JTKPUDRAPAVAMH-GHMZBOCLSA-N 231.330 3.612 30 20 BHED C=CCCC(=O)N1CC2(CCCCC2)[C@H]1C(C)C 458164821 BOXLENLCPALDQR-OAHLLOKOSA-N 249.398 3.770 30 20 BHED CC#CCCCC(=O)N1CCCC[C@H]1[C@H](C)CC 466418109 VSCQRYBINURDGP-CABCVRRESA-N 249.398 3.607 30 20 BHED C=C(C)COc1ccc2[nH]c(C)c(C)c2c1 478822066 BOMIZODZBYEHKA-UHFFFAOYSA-N 215.296 3.740 30 20 BHED C=C(C)CN(CC)Cc1sccc1Cl 495078118 HZGASYDQPFPQDS-UHFFFAOYSA-N 229.776 3.800 30 20 BHED C=C(C)CSCCCCC1CCOCC1 507717951 YPZWRJZGEBZXNT-UHFFFAOYSA-N 228.401 3.893 30 20 BHED CCC[C@H](C)[C@H]1CCCN1CCC(C)(C)C#N 537386511 VXPIOGQWSAARFL-UONOGXRCSA-N 236.403 3.827 30 20 BHED C[C@H](C#N)CN(C)C[C@@H](C)CC1CCCCC1 541774964 NQDHWXVJGAEJKG-UONOGXRCSA-N 236.403 3.684 30 20 BHED CC(C)(C#N)CCCN1CCc2cc(F)ccc21 549173809 VNUZHYXMNVELHV-UHFFFAOYSA-N 246.329 3.518 30 20 BHED C=CCC(C)(C)c1noc(C(C)(C)CC=C)n1 574923293 LLBJUERMOAMEBY-UHFFFAOYSA-N 234.343 3.777 30 20 BHED C=CCCNc1cc(OC)ccc1OCCCC 607149291 JMLXLFVADZFROA-UHFFFAOYSA-N 249.354 3.862 30 20 BHED C=CCCCC(=O)N[C@@H](C)c1ccc(C)s1 748294688 FFXJXSOBZSUBSJ-NSHDSACASA-N 237.368 3.590 30 20 BHED CCCCCC=NNc1ncccc1Cl 755654282 HZYGEFKXYHEWRZ-UHFFFAOYSA-N 225.723 3.713 30 20 BHED C#CC[C@H](N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 773115696 OIRVYOWRFUYIIN-HJWJTTGWSA-N 239.362 3.529 30 20 BHED Cc1ccc(C=NNC2CCCCC2)c(C)c1 786043650 QLJUNRJBMYYTKG-UHFFFAOYSA-N 230.355 3.560 30 20 BHED C[C@@H]1C[C@H]1c1ccc(C=NN[C@H](C)C(C)(C)C)o1 793116823 UWXFMLMIQODYPQ-NQBHXWOUSA-N 248.370 3.761 30 20 BHED CCC(Cc1ccccc1)=NOC/C=C\Cl 811669759 IUQQYJPGFSBJNF-PSHHFHDCSA-N 237.730 3.764 30 20 BHED CCSc1cccc(C=NOC2CCC2)c1 812235209 PGYDAYMPWWFCAG-UHFFFAOYSA-N 235.352 3.702 30 20 BHED CC(CCC(C)C)=NNc1ccccc1C(=O)O 812441902 INUNDBRUAWEONN-UHFFFAOYSA-N 248.326 3.609 30 20 BHED CCC(=NOCC1CC1)c1cccc(C)c1 814244876 MBIGUFHQWFJVNH-UHFFFAOYSA-N 217.312 3.536 30 20 BHED C=CCCCNC(=O)c1ccccc1C(C)C 834733063 XNIQIIXUJSPHTG-UHFFFAOYSA-N 231.339 3.506 30 20 BHED CC(CCCCC#N)=NNc1ccc(C)cc1 841603074 FHCJLQDNDBZOOD-UHFFFAOYSA-N 229.327 3.867 30 20 BHED C=CCN(Cc1cccs1)C(=O)/C=C/CCC 920442630 OYDHMJJOVMCBOW-RMKNXTFCSA-N 249.379 3.619 30 20 BHED C=C[C@H](CC)CC(=O)O[C@@H](C)c1cnccc1C 1344595562 NXTQEZKDEBAKBV-QWHCGFSZSA-N 247.338 3.597 30 20 BHED CC(C)CC1CCN(C[C@H](C)CCC#N)CC1 1659027219 SMGKIHHVMUVLCB-CQSZACIVSA-N 236.403 3.684 30 20 BHED C[C@@H](NC1CCCCC1)c1ccc(C#N)cc1 19878960 VKOPLXBWFFGZSE-GFCCVEGCSA-N 228.339 3.542 30 20 BHED C[C@H](CNc1ccc(C#N)cc1)c1ccccc1 21798667 FONPZNUAZVRLPJ-CYBMUJFWSA-N 236.318 3.774 30 20 BHED C=C(Cl)CNCc1ccc(C(C)(C)C)cc1 124491772 NPAFZBHDFNERSF-UHFFFAOYSA-N 237.774 3.826 30 20 BHED C=C(Cl)CSc1ncc(C(C)(C)C)o1 130039947 XBFMXQPKAVBXPG-UHFFFAOYSA-N 231.748 3.817 30 20 BHED CCCCCCCN1CCC[C@@H](c2ccn[nH]2)C1 157609751 UMFFZXBKNMQCRX-CQSZACIVSA-N 249.402 3.560 30 20 BHED CCCCCCCC(=O)N1CC[C@@H](C)[C@H]1C 177145780 HCXJCNPEGGVITJ-CHWSQXEVSA-N 225.376 3.604 30 20 BHED CC(C)(C)[C@H](NCCCC#N)c1cccc(F)c1 181072866 NRZALEXZYAJIFP-CQSZACIVSA-N 248.345 3.806 30 20 BHED CCCCCCCN(C)CCc1ccncc1 181442705 XNCKUIZPKIWFDU-UHFFFAOYSA-N 234.387 3.526 30 20 BHED C=C(C)CN(CCC)CCc1cccs1 184505628 TYRYKGOIPWOROU-UHFFFAOYSA-N 223.385 3.579 30 20 BHED Cc1ccc(C)c(N[C@H]2CCC[C@H](C#N)C2)c1 185734820 JNSOZNFWLMABMF-KBPBESRZSA-N 228.339 3.798 30 20 BHED C#CCCCC(=O)Nc1cccc(SCC)c1 192123595 YXOLJWUGOMFWCO-UHFFFAOYSA-N 247.363 3.541 30 20 BHED Cc1cc(C)cc(/C=C/c2ccc(C#N)cn2)c1 194858392 CANZHEIUMJAZGQ-HWKANZROSA-N 234.302 3.741 30 20 BHED C=CC[C@H](C)[C@H](C)NC[C@@H]1CCC(F)(F)C1 309721779 BZLKVZZBWPTSIX-SDDRHHMPSA-N 231.330 3.612 30 20 BHED Cc1nnccc1N=C(O)[C@H]1CCCC(C)(C)C1 329425100 ISRHJWGMOBHPNN-NSHDSACASA-N 247.342 3.589 30 20 BHED C[C@H](c1noc(C2(C#N)CCCC2)n1)C(C)(C)C 336561791 IXGFOKFQLBELNG-SNVBAGLBSA-N 247.342 3.555 30 20 BHED Cc1ccccc1[C@@H](C)N(CCC#N)CC(C)C 342051319 SERLZPJKSQIUMT-OAHLLOKOSA-N 244.382 3.928 30 20 BHED C=CCSCCCOCc1ccccc1 359070129 NUKJQBKEEZBHLV-UHFFFAOYSA-N 222.353 3.513 30 20 BHED C=CCOCCCSCCCC(C)(C)C#N 359121539 QCZDPVGDDGZWFX-UHFFFAOYSA-N 241.400 3.642 30 20 BHED C=CC[C@@H](CC)NCc1ccc(OC(C)C)cc1 393770164 FHZUQPJLQWOYQQ-OAHLLOKOSA-N 247.382 3.918 30 20 BHED C=CCC1(C(=O)N[C@@H]2CC=CCC2)CCCCC1 449901231 XCJKGBYEWIPTPI-CQSZACIVSA-N 247.382 3.738 30 20 BHED C=C(C)CN(C)[C@H](CC)c1ccc(F)cc1F 481302164 UAPISYNAPMLKAC-CQSZACIVSA-N 239.309 3.924 30 20 BHED CC(C)(C)[C@@H]1CCC[C@H](NCC2(C#N)CC2)CC1 570671904 XYOIUCFXAFXEDN-KGLIPLIRSA-N 248.414 3.875 30 20 BHED C=CCC1(NC(=O)c2oc(C)cc2C)CCCC1 619108317 RVKVGTNIUFQYIF-UHFFFAOYSA-N 247.338 3.515 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H](C)CCCC 620856822 BCQNPNDIKSEUCC-LBPRGKRZSA-N 225.376 3.674 30 20 BHED CCC(C=NNc1cccc([N+](=O)[O-])c1C)CC 727973100 QJCOBWOREJUPGX-UHFFFAOYSA-N 249.314 3.737 30 20 BHED CCCCNN=C(C)CCc1ccccc1F 734092919 HYRFVYCDCDNFRD-UHFFFAOYSA-N 236.334 3.524 30 20 BHED C#CCN1CCCCC[C@@H]1c1cccc(C)c1 735494593 FPLRIXFBNSINMZ-MRXNPFEDSA-N 227.351 3.545 30 20 BHED C=CCCCOC(=O)C[C@@H](C)c1ccccc1 735523843 DEHUAKMDQAELEL-CYBMUJFWSA-N 232.323 3.690 30 20 BHED CC(C)=CCC[C@@H](C)CC=NNCC(F)F 740616624 OXLDDRQJMJDBIC-LLVKDONJSA-N 232.318 3.600 30 20 BHED C=CCCC(CC)=NNc1cccc(C(=O)O)c1 750911673 GHSKFAWEARZGES-UHFFFAOYSA-N 246.310 3.529 30 20 BHED CCCCCCCCNC(=O)/C=C(/C)C1CC1 754850922 QAOIPIFHCMLZBA-SEYXRHQNSA-N 237.387 3.819 30 20 BHED CC(=NNCc1ccc(Cl)cc1)C1CCC1 764717735 HISQFDGXCBTSJB-UHFFFAOYSA-N 236.746 3.606 30 20 BHED C/C=C(/CC)C(=O)OCCCCC(C)(C)C#N 768894357 ZKTBMSPWPNYTTG-XGICHPGQSA-N 237.343 3.606 30 20 BHED Cc1cccc(F)c1NN=C[C@@H]1CC=CCC1 769840025 GYYRARGKAYUGMP-GFCCVEGCSA-N 232.302 3.888 30 20 BHED C[C@@H](C=NOC1CCCC1)c1ccccc1 774596356 CZPRXYNRXHQLET-LBPRGKRZSA-N 217.312 3.735 30 20 BHED Fc1ccccc1C=NOC1CCCCC1 777457892 BFMVXRHRJGRRKR-UHFFFAOYSA-N 221.275 3.509 30 20 BHED CCCCC(CC)=NNc1ccnc(F)c1 781132799 JQDLBPOZNPJDFV-UHFFFAOYSA-N 223.295 3.589 30 20 BHED C=CCCCCC[C@H](C)NC[C@H]1CCCOC1 793522999 OPVYNAVGBIOZIK-LSDHHAIUSA-N 239.403 3.528 30 20 BHED Cc1ccc(F)c(NN=C[C@H]2CC[C@@H](C)C2)c1 800814348 TYDDZYNZYJBTEF-PWSUYJOCSA-N 234.318 3.968 30 20 BHED Cc1ccccc1C1CC(=NOC/C=C\Cl)C1 811668870 URILFMFLAQGNNQ-NPTNPOQRSA-N 249.741 3.998 30 20 BHED FC(F)(F)[C@@H]1CCCC(=NOCC2CC2)C1 814242129 URNDWANPCHRTEN-SECBINFHSA-N 235.249 3.522 30 20 BHED CC(=NOCC1CC1)c1cc2ccc(C)cc2o1 814243842 PRESAIOJSIUCSJ-UHFFFAOYSA-N 243.306 3.892 30 20 BHED CC(C)(C)CCNN=C1CC[C@@H]1C1CCC1 814901236 FJJGNJDDRQCJOK-GFCCVEGCSA-N 222.376 3.578 30 20 BHED C[C@H](NN=C1C[C@H](C)CC[C@H]1C)c1ccncc1 819817627 CKYSMUBGWCPAMM-UPJWGTAASA-N 245.370 3.544 30 20 BHED C[C@@H](CC#N)OC(=O)CCC1CCCCCC1 847646614 CRIGYRFVZMZSBT-LBPRGKRZSA-N 237.343 3.582 30 20 BHED CC(C)(F)CC/N=C\c1cc(Cl)ccc1O 849171990 JYFRULGJLYEUNA-NVNXTCNLSA-N 243.709 3.603 30 20 BHED CC(=NNc1ccccn1)c1cc(C)ccc1C 916274048 XSPYKIBVDSULFC-UHFFFAOYSA-N 239.322 3.535 30 20 BHED CC1(C)CCN(CCCCC2(C#N)CCC2)C1 929750533 VIVJSOSAOYTQBR-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=CCCC(=O)OCc1ccc(CCC)cc1 1318195039 SAHZURGAMBZYDB-UHFFFAOYSA-N 232.323 3.649 30 20 BHED C=CCC(F)(F)C(=O)N[C@@H](CCC)C(C)(C)C 1347904104 PAOSYDCDVKEIJQ-JTQLQIEISA-N 247.329 3.529 30 20 BHED C=C(C)CCC(=O)Nc1cc(Cl)ccc1F 1354052136 KZFZKQKLLMTUAL-UHFFFAOYSA-N 241.693 3.774 30 20 BHED C=C(CC)C(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 1521574073 ACHXOLILZVQYKI-SWLSCSKDSA-N 243.350 3.562 30 20 BHED N#Cc1cccc(CN(c2ccccc2)C2CC2)c1 1643100303 RQBSLZYZZSYWLW-UHFFFAOYSA-N 248.329 3.727 30 20 BHED N#CCCSc1cc(Cl)ccc1Cl 19847573 RXGQYDJYPKUONF-UHFFFAOYSA-N 232.135 3.999 30 20 BHED C=CCCC(=O)N(C1CCC(CC)CC1)C1CC1 102226338 KMNNSCVKFPXZAN-UHFFFAOYSA-N 249.398 3.912 30 20 BHED CCCCCCCNC(=O)C(CC)CC 105471513 OHLXCYLBRPQTJU-UHFFFAOYSA-N 213.365 3.509 30 20 BHED CC1CCC(N(C)c2ccc(F)cc2C#N)CC1 111036194 PQUOYUMXOOJUDF-UHFFFAOYSA-N 246.329 3.712 30 20 BHED C=CCCN[C@H](CCC)c1ccccc1 162158357 KSKOOPBVMIDVNP-CQSZACIVSA-N 203.329 3.694 30 20 BHED C=CC[C@H](C)N[C@H]1CCCc2c(OC)cccc21 194925554 LYKOVHLFILNEFW-WFASDCNBSA-N 245.366 3.627 30 20 BHED C[C@@H]1CCCC[C@H]1CNc1cc(F)cc(C#N)c1 227613770 WTYYBXVYHAFLIS-YPMHNXCESA-N 246.329 3.936 30 20 BHED CC[C@@H](N[C@H]1CC=CCC1)c1ccc(C#N)cc1 278719833 MDGGBQXJHXSEAU-JKSUJKDBSA-N 240.350 3.708 30 20 BHED CN(c1c(Cl)cccc1C#N)C1CCCCC1 303424074 DHSDLXBOCVDMBD-UHFFFAOYSA-N 248.757 3.981 30 20 BHED C=CCCCOc1ccc(CC=C)cc1OC 303913785 UUFLGNORBOVMAM-UHFFFAOYSA-N 232.323 3.769 30 20 BHED Cc1ccc(Cl)cc1N[C@@H]1CC[C@@H](C#N)C1 309719705 VMIIAIOSTLTWDW-ZYHUDNBSSA-N 234.730 3.753 30 20 BHED C=CCN[C@@H](CC1CCC1)c1ccccc1 336653031 FXYJJGLKEJWZJX-HNNXBMFYSA-N 215.340 3.694 30 20 BHED C=CCCOc1cc(Cl)cc2cccnc12 339027689 PVBPLLUKMYFORM-UHFFFAOYSA-N 233.698 3.843 30 20 BHED CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(C)cc1 339064159 RUAUFCHUXIJFII-BMFZPTHFSA-N 242.366 3.728 30 20 BHED C=C(CC)CS[C@@H](C)c1cccnc1 341996705 LDTIASVFQZFKRZ-NSHDSACASA-N 207.342 3.842 30 20 BHED Cc1cc([C@H](C)NCC(C)(C)CCC#N)oc1C 348228121 OPTBTCCEWHQUGO-LBPRGKRZSA-N 248.370 3.877 30 20 BHED C=CC[C@@H](C)[C@@H](C)Nc1cc(C2CC2)ccn1 353620758 JERSEFBJTFUGAC-VXGBXAGGSA-N 230.355 3.972 30 20 BHED C=CCC(C)(C)CNC1CCC(C)CC1 379970497 GUEFMSXDKFDHOV-UHFFFAOYSA-N 209.377 3.757 30 20 BHED N#CC1(CCN2C[C@@H]3CCC[C@H]3C2)CCCCC1 411317690 OWZGRFQRRZFSFM-GJZGRUSLSA-N 246.398 3.582 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccc(F)cc1F 424528742 RDWLDOLACNTIPF-UHFFFAOYSA-N 239.265 3.506 30 20 BHED CC(C)[C@@H]1N(CC(C)(C)CCC#N)CC12CCC2 430110041 WRJFUKKJXCEIJY-AWEZNQCLSA-N 248.414 3.827 30 20 BHED C=CCCCC[C@@H](C)NCC[C@H]1CCCCO1 449236884 ZOXOJCGPAHEADZ-HUUCEWRRSA-N 239.403 3.670 30 20 BHED C=C(CC)CNC(=O)c1sccc1C(C)C 456824945 FRWBPUNFYDIHFM-UHFFFAOYSA-N 237.368 3.568 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@H](CC)CCCC 464519895 HNVYLMKYSDYGNG-ZIAGYGMSSA-N 237.387 3.770 30 20 BHED C=C(C)CSc1cccc(C(=O)OCC)c1 477046140 FSIIMWWTQXRBKO-UHFFFAOYSA-N 236.336 3.532 30 20 BHED C=C[C@H](C)NC(=O)Nc1ccc(C2CCC2)cc1 489784342 XIHZWACVBPITAQ-NSHDSACASA-N 244.338 3.650 30 20 BHED C=C(C)CCc1noc(C2(CCC)CCC2)n1 508678623 KMJNIIDDQRPKTH-UHFFFAOYSA-N 234.343 3.800 30 20 BHED C=C(C)CCN1CC[C@@H](Cc2ccc(F)cc2)C1 509669701 XVVIHVWCCWQCEH-HNNXBMFYSA-N 247.357 3.656 30 20 BHED C=C(CC)CSc1nc(C)nc2ccccc12 538014278 VQFILRIYEVYKEK-UHFFFAOYSA-N 244.363 3.997 30 20 BHED CCC[C@@H](CN(C)C[C@H](C)C#N)c1ccccc1 539409213 VVSYHUSKXGXVMD-ZBFHGGJFSA-N 244.382 3.662 30 20 BHED C=CCCCc1nc(CC2CCCCC2)no1 545659423 LYVKPMTZAJIVMF-UHFFFAOYSA-N 234.343 3.701 30 20 BHED CCCC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@@H](C#N)C1 555425104 XXGDVWVRGDNKMD-TUVASFSCSA-N 234.387 3.627 30 20 BHED CC(C)CC(CC(C)C)NCc1ccc(C#N)o1 577403444 MCPCJJJMSKNAMI-UHFFFAOYSA-N 248.370 3.702 30 20 BHED C[C@@H]1CCC[C@@H](CCN2CCC[C@H](CC#N)C2)C1 595615091 OWZBQJHDNVIEPB-OWCLPIDISA-N 248.414 3.828 30 20 BHED C=CCSCCc1nsc2ccccc12 596338864 ZNYSJXRMNQEBSN-UHFFFAOYSA-N 235.377 3.758 30 20 BHED C[C@@H](CC1CCCCC1)NC[C@H](C)CCC#N 602636161 HCAZAKIQBZFTAG-KGLIPLIRSA-N 236.403 3.875 30 20 BHED C=CCCN(CCC)Cc1ccccc1F 606897483 VRFSGAXBQDQAKW-UHFFFAOYSA-N 221.319 3.614 30 20 BHED C=CCN1CCCC[C@H]1c1ccc(C)cc1 607741547 PFPCYCGHZCSZQT-HNNXBMFYSA-N 215.340 3.708 30 20 BHED C=CCCN[C@@H]1CC[C@H](Cc2ccccc2)C1 657583822 QVDKGNCXEGPRDE-HZPDHXFCSA-N 229.367 3.564 30 20 BHED C[C@@H]1CCCN(CCCCC2(C#N)CCC2)C1 675075434 OOAFYYKDGULOIH-CQSZACIVSA-N 234.387 3.582 30 20 BHED Cc1ccc([C@@H](C)N[C@H](C)CC(C)(C)C#N)cc1 695777689 IDORITJCBOYESB-ZIAGYGMSSA-N 244.382 3.974 30 20 BHED C(=NNCCCc1ccccc1)C1CCCCC1 729145916 HCXUKRIDSTUMSI-UHFFFAOYSA-N 244.382 3.775 30 20 BHED C=CCCCOC(=O)[C@@H]1CCCc2ccccc21 735528963 XGJFHEXFFGHBLX-OAHLLOKOSA-N 244.334 3.616 30 20 BHED Cc1ccccc1C1CC(=NNC2CCCC2)C1 743439298 XSZMMBNJMZRWAE-UHFFFAOYSA-N 242.366 3.761 30 20 BHED CC(C)=C(C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 757390029 SYECXQBOSRZDQZ-LBPRGKRZSA-N 243.306 3.519 30 20 BHED COc1ccsc1C(C)=NNc1ccccc1 769766751 PWDIRBWJNIWMET-UHFFFAOYSA-N 246.335 3.593 30 20 BHED CC[C@@H](C)C=NNc1c(F)cccc1Cl 769826952 LJAAZWCJBAMVQG-MRVPVSSYSA-N 228.698 3.923 30 20 BHED CCC(CC)CNN=C1CCCC[C@@H]1C 774471521 KWWMBBHYOCHKEM-NSHDSACASA-N 210.365 3.578 30 20 BHED Cc1cc(C=NOCC(C)C)cc2cccnc12 783856941 OXHYRSTXLXPHGQ-UHFFFAOYSA-N 242.322 3.550 30 20 BHED Cc1ccc(N(C)C[C@@H](C)CCC#N)c(C)c1 787777828 UJSXWSHKDJVGLL-ZDUSSCGKSA-N 230.355 3.680 30 20 BHED Cc1cccnc1NN=C[C@@H]1CCC[C@@H](C)C1 790187235 UCXROMSBNLPSDY-DGCLKSJQSA-N 231.343 3.614 30 20 BHED CC[C@@H](C)CON=C(C)c1ccsc1 793160914 XTYLUDIQXRSVCC-SECBINFHSA-N 211.330 3.535 30 20 BHED CCCCCC(C)=NNc1ccccc1C(=O)O 818265646 RMWULFOCXLMCKO-UHFFFAOYSA-N 248.326 3.753 30 20 BHED CSCCON=C(C)[C@@H]1CCCC[C@@H]1C 834975560 OPGXMZQOJGXECD-CMPLNLGQSA-N 229.389 3.568 30 20 BHED C#CCCCN(C)[C@H]1CCC[C@H]1c1ccccc1 839172060 BHLQVSXNAJYPCM-IRXDYDNUSA-N 241.378 3.668 30 20 BHED C/C=C/C=C\C(=O)OCCCCC1(C#N)CCC1 908715046 LTRFQNKHVOWAII-HOJFPOIOSA-N 247.338 3.526 30 20 BHED CC(C)=CCC[C@@H](C)CC=NNc1ncccn1 912974105 LAMPMMGLRUSQHN-CYBMUJFWSA-N 246.358 3.647 30 20 BHED CC[C@H]1CCCC[C@@H]1CNc1ccc(C#N)cn1 1651103717 AOKLVQMIKLCHFF-UONOGXRCSA-N 243.354 3.582 30 20 BHED C[C@H](C#N)Sc1nc(-c2ccccc2)cs1 57532915 NMLKGZIVYRGDFP-SECBINFHSA-N 246.360 3.814 30 20 BHED C[C@H]1CC(NCc2cc(C#N)cs2)C[C@H](C)C1 93492683 FKBHHGSJHRNHCD-GHMZBOCLSA-N 248.395 3.534 30 20 BHED CCCCCCCNC(=O)c1cccc(C)c1 100037546 OYABQGPEXFSLEK-UHFFFAOYSA-N 233.355 3.695 30 20 BHED CC(C)(C#N)CCOc1cc(Cl)ccc1C#N 129048407 WIQNVSJIDPVPJT-UHFFFAOYSA-N 248.713 3.530 30 20 BHED C[C@H](NCCCCC#N)c1cc2ccccc2o1 161860798 PEXFUYRTHNESGH-LBPRGKRZSA-N 242.322 3.777 30 20 BHED C=CCCCC(=O)Nc1ccc(OCC)cc1C 175376131 DYIUSSVBEVVXOI-UHFFFAOYSA-N 247.338 3.689 30 20 BHED C=CC[C@@H](C)NC(=O)C(C)(C)CCCCC 175423083 FAHXQNFEBOVFLQ-GFCCVEGCSA-N 225.376 3.674 30 20 BHED C=CC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 187689715 GMTQOYQPIYLNBX-ZDUSSCGKSA-N 240.350 3.517 30 20 BHED Cc1ccccc1CCCSCCCC#N 190971877 HBLDCWJIFCBTTF-UHFFFAOYSA-N 233.380 3.965 30 20 BHED C=CCCC(=O)N1CCCC(C)(C)[C@H]1CC=C 278172830 CPWXRWOYAZKWPP-CYBMUJFWSA-N 235.371 3.546 30 20 BHED C=C[C@@H](C)Nc1cc(C(C)C)nc(C(C)C)n1 301847979 CEWNSOFBPVWNJO-LLVKDONJSA-N 233.359 3.710 30 20 BHED C=C(C)CNCc1c(C)cc(Cl)cc1C 309001976 OISAPRDMOKMFBK-UHFFFAOYSA-N 223.747 3.623 30 20 BHED C#CCCNc1cccc(-c2cccs2)c1 309586554 VUOUFAPHWZUQNW-UHFFFAOYSA-N 227.332 3.850 30 20 BHED C=C(CC)CN[C@H](C)c1nc2ccccc2s1 313496860 JPHOMTBUQGFXAA-LLVKDONJSA-N 246.379 3.913 30 20 BHED CC[C@H](NC1(C(C)C)CC1)c1ccc(C#N)cc1 340477765 HVLLCKFAYYXMAC-HNNXBMFYSA-N 242.366 3.788 30 20 BHED C[C@H](NCCCC#N)c1cc2c(s1)CCCC2 346835005 OCQXQSSGOIQMBK-NSHDSACASA-N 248.395 3.581 30 20 BHED C=CC[C@H](CC)NCc1coc2ccccc12 393785440 XEYOAQJCFVTIAA-ZDUSSCGKSA-N 229.323 3.877 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H](C)C(CC)CC 410119595 DXMHVOMTCMCOJT-AAEUAGOBSA-N 225.376 3.530 30 20 BHED C=CCCCN1CC[C@H](c2ccccc2)[C@H]1C 434900466 NATQZHGTLUBIQJ-ZBFHGGJFSA-N 229.367 3.831 30 20 BHED C[C@H]1C[C@H](C)CC[C@@H]1NC1CCC(C)(C#N)CC1 449149688 OMCOBMLQWIHCPK-QTJAEWGCSA-N 248.414 3.873 30 20 BHED C=CCC1(CNCC2(SC)CC2)CCCC1 449605203 MPBASTHGMDKNDQ-UHFFFAOYSA-N 239.428 3.608 30 20 BHED C=C(C)CCNC(=O)c1ccc(C2CCC2)cc1 452720413 WUBPPNSKGIDUGY-UHFFFAOYSA-N 243.350 3.650 30 20 BHED C=CCCCNc1ccc(F)cc1OC(F)F 462175245 JOWNRDKLVNYERU-UHFFFAOYSA-N 245.244 3.805 30 20 BHED C=CC[C@@H](CC)NC(=O)C(C)(C)CC(C)C 466540495 PCIZYKDUXJBZKV-GFCCVEGCSA-N 225.376 3.530 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C[C@@H](C)CC(C)C 488879772 SCIVRNHFHPOKRZ-UONOGXRCSA-N 237.387 3.626 30 20 BHED C=CCC(CC=C)c1nc([C@@H]2CC[C@H](C)O2)no1 528228396 BORFHXJKTAQPGM-JQWIXIFHSA-N 248.326 3.545 30 20 BHED C=C(CC)CSc1ccccc1C#N 536902075 YVYPZVHFVHXKFG-UHFFFAOYSA-N 203.310 3.617 30 20 BHED C=C(CC)CN(CC)[C@@H](C)c1cccc(O)c1 538002796 SIRXQIVVENJUED-ZDUSSCGKSA-N 233.355 3.741 30 20 BHED C[C@H](CCC#N)CN(C)C1CCC(C)(C)CC1 602473178 JYMADWIEYOXUCF-CYBMUJFWSA-N 236.403 3.827 30 20 BHED C[C@@H](CCC#N)CN1CCC2(CCCCC2)C1 602474975 KCBKEDWCIGGDLW-AWEZNQCLSA-N 234.387 3.582 30 20 BHED C=CCC1(C(=O)N2CCC[C@H]3C[C@@H]32)CCCCC1 650074817 KPYZELSDOAGHAJ-KBPBESRZSA-N 247.382 3.524 30 20 BHED C=CCCC(=O)O[C@H](C)c1c(F)cccc1F 726654611 DTHAXYBEJNXBCQ-SECBINFHSA-N 240.249 3.535 30 20 BHED C[C@H](Sc1ncccc1C#N)c1cccs1 749148490 YIOWRAWFGHIYLT-VIFPVBQESA-N 246.360 3.868 30 20 BHED CC(/C=C/C(=O)c1cccnc1)=C\c1ccccc1 750901658 VFNCZTOYJRWOMK-MSEVIDPPSA-N 249.313 3.924 30 20 BHED C#CCC(C)(C)C(=O)Nc1ccc(CC)c(C)c1 767104041 YHPADZVETQYWNW-UHFFFAOYSA-N 243.350 3.545 30 20 BHED CCCC(CCC)=NNCc1ccc(C#N)cc1 769821818 SSHKCIBCDYJUFA-UHFFFAOYSA-N 243.354 3.604 30 20 BHED COc1ccc(C)cc1C(C)=NOC1CCCC1 774607085 CLWNVQFFEWYBEI-UHFFFAOYSA-N 247.338 3.687 30 20 BHED CON=Cc1c(Cl)cccc1SC(C)C 786037114 FHXDDLIXPDARJG-UHFFFAOYSA-N 243.759 3.821 30 20 BHED COCC[C@@H]1CCCC1=NOC1CCCCC1 799886087 SUNOMXOHPXDLBS-LBPRGKRZSA-N 239.359 3.528 30 20 BHED CCCC[C@@H](C)C(=O)Oc1ccc(C#N)c(C)c1 799998864 NKSISCPJZONTEP-LLVKDONJSA-N 245.322 3.598 30 20 BHED C[C@@H]1CC(C)(C)CC1=NN[C@H](C)c1ccncc1 819816514 KICGXYZYIULQJA-VXGBXAGGSA-N 245.370 3.544 30 20 BHED CCC/C(C)=C\C(=O)O[C@@H](C)CC(C)(C)C#N 851210886 VWRCQLNWQNYCHG-KGTBHZDVSA-N 237.343 3.604 30 20 BHED CCC(=NNc1ccc(Cl)cn1)C1CCC1 853434837 JVNAMCNTAZELIJ-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C=C(C)CCNC(=O)CCCCCC(C)C 1348313248 ORIWOLHDLOSSTA-UHFFFAOYSA-N 225.376 3.675 30 20 BHED Cc1ccc(Sc2cc(C)c(C#N)cn2)cc1 1472641527 RRTOSRMDJVVNOO-UHFFFAOYSA-N 240.331 3.721 30 20 BHED Cc1cc(SCc2cccnc2)ccc1C#N 1652911900 HTSGCGMMBDWQGL-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C[C@@H]1CCCC[C@@H]1N(C)Cc1ccccc1C#N 55386561 CAEUMDWDJWYMQV-CJNGLKHVSA-N 242.366 3.569 30 20 BHED C[C@@H]1CCC[C@H](Nc2ccc(F)cc2C#N)C1 113316970 BYKZJPVXMJAWHT-MFKMUULPSA-N 232.302 3.688 30 20 BHED C=C(Cl)CN[C@@H](C)[C@H](C)c1ccccc1 129800091 KAVNALPUUKPDEO-RYUDHWBXSA-N 223.747 3.521 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@H](C)c1ccccc1 131471836 IMCFPGMYVYZUJI-ZIAGYGMSSA-N 245.366 3.651 30 20 BHED CCCCCCCCCN[C@@H]1CCO[C@H]1C 133959142 LGBXAGKNTAJYFC-UONOGXRCSA-N 227.392 3.504 30 20 BHED CC(C)CC[C@@H]1CCCCN1CCCCC#N 158133895 PQFYBUFKIAOMIF-HNNXBMFYSA-N 236.403 3.971 30 20 BHED N#CCCCCSCC1CCCCC1 161875953 CELJOIAEIANGAX-UHFFFAOYSA-N 211.374 3.994 30 20 BHED C#CCCCC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 192137504 NWEWSWKPGDYNRY-UONOGXRCSA-N 249.398 3.511 30 20 BHED C=C(CC)CNc1ccccc1SC 222821566 OVUNLFLIHSKFCM-UHFFFAOYSA-N 207.342 3.787 30 20 BHED C=CCCNc1cccc(Br)c1C 226150950 XLWCJGPWBSZABZ-UHFFFAOYSA-N 240.144 3.746 30 20 BHED C=C[C@@](C)(CC)C(=O)NC[C@@H](C)c1ccccc1 276087378 TWJQFJIKCKAKIH-CJNGLKHVSA-N 245.366 3.509 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccc(Cl)cn1 281614412 NFXAPXWCVNZWHS-ZYHUDNBSSA-N 238.762 3.740 30 20 BHED C=CC[C@H](C)[C@@H](C)NCC(C)(C)c1ccccn1 294666539 AMVFBMKDKIIJLN-UONOGXRCSA-N 246.398 3.550 30 20 BHED N#Cc1ccc(Cl)cc1N1CCCC2(CC2)C1 302292780 WYUYDWSYVXJIKM-UHFFFAOYSA-N 246.741 3.592 30 20 BHED C=C1CCN(Cc2cc(C)sc2C)CC1 353307463 KLJHAFBKTPOWTE-UHFFFAOYSA-N 221.369 3.517 30 20 BHED CCCCCCCN[C@H](C)[C@@H]1C[C@H]2CC[C@H]1O2 395371954 PFNXSLYAFJKHHB-APIJFGDWSA-N 239.403 3.502 30 20 BHED Cc1csc(SCC2(C#N)CCCC2)n1 405176667 RQOVXVSIDKSTGY-UHFFFAOYSA-N 238.381 3.628 30 20 BHED C=CC[C@H](CC)NC(=O)C[C@H](C)C(C)(C)C 410134249 HHZZBGVPMGNTPP-RYUDHWBXSA-N 225.376 3.530 30 20 BHED CCC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccsc1 424317520 BZPDSGKTNIGQQL-IACUBPJLSA-N 248.395 3.871 30 20 BHED CC(C)OCCSCCCCC(C)(C)C#N 435892750 LXCDMCOCZVCQSG-UHFFFAOYSA-N 243.416 3.865 30 20 BHED C=CCC1(C(=O)N(C)C[C@H](C)CC)CCCC1 449856925 QGIJCYBCQFASGB-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=CCCCCNC(=O)CC1CCCCCC1 471711353 HXEVIUCRCRAWKA-UHFFFAOYSA-N 237.387 3.819 30 20 BHED C=CCCCNc1cc([N+](=O)[O-])c(C)cc1C 525360078 SIBCCPMCHCTCBK-UHFFFAOYSA-N 234.299 3.590 30 20 BHED C=CCCC[C@H](C)NC(=O)N[C@H](CC)CCC 538280424 AQGOANWTMQZMDP-QWHCGFSZSA-N 240.391 3.609 30 20 BHED COc1ccc(C(C)=NNc2ccccc2)cc1 585680956 GBWYSVKAUZHKNN-UHFFFAOYSA-N 240.306 3.531 30 20 BHED N#Cc1cnccc1/C=C\c1cscc1Cl 585818738 VDYQTVHTOTUZSL-UPHRSURJSA-N 246.722 3.839 30 20 BHED C=CCN(C(=O)C[C@H]1CC[C@H](C)C1)C(C)(C)C 622944224 KGVWJUCRODNPNO-STQMWFEESA-N 237.387 3.626 30 20 BHED C=CC[C@H](C)NC(=O)CCCCCCCC 735068642 YFIDJERHUNJWGN-ZDUSSCGKSA-N 225.376 3.818 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C(\C)C(C)(C)C 775924432 LOQDIWGXJMKGHE-YLSINNKHSA-N 237.387 3.840 30 20 BHED C=CCC[C@H](Nc1ccc(OC)cc1)C1CC1 776781380 AGDXYLVRFCWNLO-HNNXBMFYSA-N 231.339 3.852 30 20 BHED C=CCCCC[C@H](C)NCc1ccccc1O 779106537 OZVWUSHFNZSRLF-ZDUSSCGKSA-N 233.355 3.617 30 20 BHED c1cc2[nH]ncc2cc1NN=C1CCCCCC1 779819689 WZWALYXAUBOGJB-UHFFFAOYSA-N 242.326 3.685 30 20 BHED CCON=C(C)[C@@H]1C[C@H]1c1ccc(Cl)s1 788422803 XBTAWTQEUQWMBZ-DTWKUNHWSA-N 243.759 3.917 30 20 BHED C=CC[C@@H](CC)NC(=O)N[C@@H](C)CCCCC 798345893 OTRLCYITNXOAFR-QWHCGFSZSA-N 240.391 3.609 30 20 BHED C[C@H]1SCCC1=NNc1ccc(Cl)cc1 814683577 HLECIBHFYSMAIU-MRVPVSSYSA-N 240.759 3.633 30 20 BHED C=CCOc1cccc(NC(=O)/C=C(/C)CC)c1 822735456 MPXSKJKHLHIETJ-BENRWUELSA-N 245.322 3.546 30 20 BHED CSCCON=C[C@@]1(C)C[C@@H]1c1ccccc1 841636074 KLDBGQAJCCBPMI-ZIAGYGMSSA-N 249.379 3.546 30 20 BHED C[C@H](CN1CCC[C@@](C)(C#N)C1)C1CCCCC1 1653856071 YQYRYBSDLOBEMH-ZBFHGGJFSA-N 248.414 3.828 30 20 BHED CC(C)CC[C@@H]1CCC[C@@H]1NCC1(C#N)CCC1 1665027419 LSYMNTCZRSNDSP-GJZGRUSLSA-N 248.414 3.875 30 20 BHED C[C@@H]1CCC[C@@H](Nc2cccc(OCC#N)c2)C1 37069517 AOWBBAHDUPISAN-CHWSQXEVSA-N 244.338 3.580 30 20 BHED Cc1cc(C)c(C#N)c(SCC2CCCC2)n1 57614972 AEAZCJCLCRSDTM-UHFFFAOYSA-N 246.379 3.852 30 20 BHED N#Cc1c(F)cccc1Oc1cccc(F)c1 57652358 DFEGXYZZDGLDGK-UHFFFAOYSA-N 231.201 3.629 30 20 BHED C#CCCCCC(=O)N[C@H](C)CCC(C)(C)C 120170821 OLXJODRKWFJSRX-CYBMUJFWSA-N 237.387 3.511 30 20 BHED C=CCC[C@H](C)N[C@@H]1CC[C@@H](C)C[C@H]1C 126836771 RUSHHZIGJORLHB-YIYPIFLZSA-N 209.377 3.755 30 20 BHED C=CCC(CC=C)C(=O)N[C@H]1CCC[C@H](CC)C1 150825515 HZSQRKKEZBKCPU-ZFWWWQNUSA-N 249.398 3.840 30 20 BHED C=CCSCc1noc(C2CCCCC2)n1 162307497 SXWMTQOXMZYOTI-UHFFFAOYSA-N 238.356 3.537 30 20 BHED C[C@H]1CCC[C@H](CNCC(C)(C)CCC#N)C1 174301580 FDDYDJFWBGIHHR-KBPBESRZSA-N 236.403 3.732 30 20 BHED C=C(C)CN(C)C(=O)C[C@H](C)c1ccccc1C 180463490 LCSXPHWZVXIQRT-AWEZNQCLSA-N 245.366 3.523 30 20 BHED Cc1cccc(F)c1NCc1ccccc1C#N 182744182 GYFLVJVVNPXFDC-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1cc(C)oc1C 185298714 YSLZETICUDAXAF-JQWIXIFHSA-N 249.354 3.676 30 20 BHED C=CCSCc1cccc(Br)c1 216254114 ILJAVFCCFRJJHS-UHFFFAOYSA-N 243.169 3.868 30 20 BHED C#CCCCN[C@H](C)c1ccc(C(C)C)cc1 224302146 PHAJEBUNJIGSFL-CQSZACIVSA-N 229.367 3.874 30 20 BHED C[C@@H]1CN(CCCC(C)(C)C#N)[C@H]2CCCC[C@@H]12 248420814 LZZOMSZWIHZJAV-ILXRZTDVSA-N 248.414 3.827 30 20 BHED Cc1ccccc1S[C@@H]1CC[C@@H](C#N)C1 278581019 OTSIJZHBQISKJB-VXGBXAGGSA-N 217.337 3.779 30 20 BHED C=CCCNc1cccc(OC2CCCC2)c1 303799897 GOVHFEQNVNJGRD-UHFFFAOYSA-N 231.339 3.996 30 20 BHED C[C@H]1CCC[C@H](COc2ccc(C#N)cc2F)C1 305923864 ILKNMDPXONFRFQ-AAEUAGOBSA-N 247.313 3.902 30 20 BHED C=CC[C@@H](C)NC(C1CCC1)C1CCC1 308791762 DCAOAKHBELQRQB-LLVKDONJSA-N 207.361 3.509 30 20 BHED CC[C@H](CC#N)NC1CCC(C)(CC)CC1 310019650 MOKCBUNEGSVEES-IYXRBSQSSA-N 222.376 3.627 30 20 BHED C=CCC(C)(C)CNCc1c(F)cccc1F 310537934 BFJBHRUXPVZJNL-UHFFFAOYSA-N 239.309 3.657 30 20 BHED C=C1CCN(Cc2cnc(C3CCC3)s2)CC1 353320429 LVJZWQQLKYVXHV-UHFFFAOYSA-N 248.395 3.563 30 20 BHED CC(C)(C#N)CCCN1CCC[C@@H]1C1CCC1 368405380 RVAKFXQXGVKBRW-CQSZACIVSA-N 234.387 3.581 30 20 BHED C=CCC(C)(C)CNCc1ccc(CC)o1 380161497 UYUDDKGHFCPANT-UHFFFAOYSA-N 221.344 3.534 30 20 BHED N#CCCN[C@H](c1cccc(F)c1)C1CCCC1 411474336 LJOJDOZXQVCYFO-HNNXBMFYSA-N 246.329 3.560 30 20 BHED C=CCC1(C(=O)NC2CCCCC2)CCCC1 449042831 UMIHTAOMPHTGSP-UHFFFAOYSA-N 235.371 3.572 30 20 BHED CC[C@@H](C)[C@H](C)N(CC1(C#N)CCC1)C1CC1 450359209 VKZNVOZBCDKIJU-OLZOCXBDSA-N 234.387 3.579 30 20 BHED CC(C)C[C@]1(C)CCCN1CC1(C#N)CCC1 451288735 INCSBBOZTUGIBP-AWEZNQCLSA-N 234.387 3.581 30 20 BHED CCOc1ccc(C#N)cc1NCC1CCCC1 532501733 PVKMJOZJNPVHSU-UHFFFAOYSA-N 244.338 3.559 30 20 BHED CC[C@@H]1CCc2ccccc2N1CC1(C#N)CC1 537249499 YNTSUADEDRZPNQ-CQSZACIVSA-N 240.350 3.522 30 20 BHED C=CCCCSCc1cccnc1C 589575129 GQLQBPFXGOKBKZ-UHFFFAOYSA-N 207.342 3.589 30 20 BHED CC[C@@H](C#N)c1ccc(-c2ccnn2CC)cc1 592987320 YCRUSKIQRAFJRR-LBPRGKRZSA-N 239.322 3.587 30 20 BHED C[C@@H](CCC#N)CNC(C)(C)c1cccs1 602546356 LIHXLPHQSZBZTC-NSHDSACASA-N 236.384 3.513 30 20 BHED CN(CCCC(C)(C)C#N)c1ccsc1 602871508 ZJSXEYPXZDRHGG-UHFFFAOYSA-N 222.357 3.514 30 20 BHED C=C(C)CN1CCc2ccccc2[C@H]1CC 603944076 GFADNXRWPPYXIB-OAHLLOKOSA-N 215.340 3.572 30 20 BHED C=CCN(Cc1cc2c(C)cccc2[nH]1)C1CC1 667982774 PXRICNPIJPTIRU-UHFFFAOYSA-N 240.350 3.627 30 20 BHED C=C[C@@H](C)NC(=O)c1ccc(C2CCCC2)cc1 685782367 IYCQPGLWFQOMII-GFCCVEGCSA-N 243.350 3.649 30 20 BHED CCC(CC)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 734366434 RPVMLLHHNSDTKA-SAXRGWBVSA-N 234.387 3.577 30 20 BHED CCc1ccccc1NN=Cc1occc1C 743436730 CYFVMUBSLPYSHO-UHFFFAOYSA-N 228.295 3.596 30 20 BHED C=CCN(CCCSCC(C)C)C(C)C 751964567 UNMFZIHUPVKIHX-UHFFFAOYSA-N 229.433 3.662 30 20 BHED CC1(c2ccccc2)CCC(=NNC2CC2)CC1 758125408 DWEBPDOXBQNEHG-UHFFFAOYSA-N 242.366 3.626 30 20 BHED CC[C@@H]1CCCC1=NNCCCc1ccccc1 758370643 QDMHYOOTIPWMND-OAHLLOKOSA-N 244.382 3.775 30 20 BHED C=CCC(CC=C)C(=O)OCc1ccc(C)cc1 758513562 LMPAQWWNQYHIKS-UHFFFAOYSA-N 244.334 3.807 30 20 BHED C#CCCN(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 760843913 RQLRWIMUXKBBMW-CHWSQXEVSA-N 249.785 3.787 30 20 BHED C#CC[C@@H](NCCC(C)(C)C)c1ccccc1 775399143 PPNUUBYOLMFRHE-OAHLLOKOSA-N 229.367 3.777 30 20 BHED CCCCCCCN[C@@H](C)c1cccc(CO)c1 776744411 SSMVHSABSVNMHE-AWEZNQCLSA-N 249.398 3.800 30 20 BHED CCC(=NNc1ccccc1F)c1ccco1 814789907 NQXGZNDIHQFESW-UHFFFAOYSA-N 232.258 3.645 30 20 BHED C[C@H]1CCC(=NNc2cccc3cnccc23)C1 814836634 WPOVYLVVHFZVDK-NSHDSACASA-N 239.322 3.823 30 20 BHED C=CCCCC(=O)N(c1ccccc1)C1CC1 839422767 PBXNVJAECOKXTN-UHFFFAOYSA-N 229.323 3.538 30 20 BHED C[C@H]1CC[C@H](OC(=O)CC2(C#N)CCCCC2)C1 849907002 OOIVTPXJWYYBLJ-STQMWFEESA-N 249.354 3.582 30 20 BHED C=CC[C@H]1CCCCC1=NNc1ccnc(F)c1 853332753 YSYJJXTYHIFLSE-NSHDSACASA-N 247.317 3.755 30 20 BHED CCSCCSCC1(C#N)CCCC1 857761131 XXAXYRSKFNIRBH-UHFFFAOYSA-N 229.414 3.557 30 20 BHED CC(C)SCOc1ccc(C#N)c(Cl)c1 863324379 XHEMNTTZFYXGFN-UHFFFAOYSA-N 241.743 3.690 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1ccccc1O 877756273 DVWRFHUWEWWICL-RWMBFGLXSA-N 233.355 3.644 30 20 BHED C=CC(C)(C)CC(=O)N(C1CCC1)C1CCC1 891144947 KDJZVMLOTATVMP-UHFFFAOYSA-N 235.371 3.522 30 20 BHED C=CCN(Cc1nc2ccccc2s1)C(C)C 917167014 NXLJYAAUDREKJV-UHFFFAOYSA-N 246.379 3.693 30 20 BHED CC(C)(C)ON=C/C=C/c1ccc(F)cc1 1253788289 DOJQETPOLSKXJB-KIGJSBELSA-N 221.275 3.640 30 20 BHED CC(C)CC1(C)CCN([C@@H](C)CCC#N)CC1 1473522860 IYIJRYVIPZTGHF-AWEZNQCLSA-N 236.403 3.827 30 20 BHED C=C(Cl)COc1ccc(Cl)cc1C(C)=O 47915366 UGZZHBLHZSSQJS-UHFFFAOYSA-N 245.105 3.674 30 20 BHED C=CCCCNc1ccc(Br)cc1 70591384 UUHJDYWJEJLPJO-UHFFFAOYSA-N 240.144 3.827 30 20 BHED C=CCC[C@H](N[C@@H](C)CCOC)c1ccccc1 90580592 HJRGXUNIBDTEGF-HOCLYGCPSA-N 247.382 3.709 30 20 BHED CCCCCCC[C@@H](C)NC[C@H]1CCCOC1 103108639 ROSJLKJOIXZVFL-HUUCEWRRSA-N 241.419 3.752 30 20 BHED C#CCCCCC(=O)N(CC)[C@@H]1CCCC[C@@H]1C 120079218 CHZSCFXOCSVFPT-LSDHHAIUSA-N 249.398 3.607 30 20 BHED C[C@@H](CNc1cccc(Cl)c1C#N)C1CC1 136192311 KZWQEDNMBQBKOF-VIFPVBQESA-N 234.730 3.670 30 20 BHED C#Cc1cccc(NC(=O)c2ccc(C=C)cc2)c1 185244464 PQSVNEUXBTWGHT-UHFFFAOYSA-N 247.297 3.563 30 20 BHED Cc1ccc(C)c(N[C@H]2CCC[C@@H](C#N)C2)c1 185734861 JNSOZNFWLMABMF-KGLIPLIRSA-N 228.339 3.798 30 20 BHED N#CCc1ccc(NC/C=C\c2ccccc2)cc1 220553816 FVHGLLKQAQCDSF-DAXSKMNVSA-N 248.329 3.878 30 20 BHED C[C@H](CCC#N)Sc1ccc(F)cc1F 298542108 XZZKANGIZXLRJQ-MRVPVSSYSA-N 227.279 3.749 30 20 BHED C=CCC[C@H](N[C@@H]1CC[C@H](C)C1)C1CC1 309151384 WLPREBYRMWUUCH-YUTCNCBUSA-N 207.361 3.509 30 20 BHED C=CC[C@@H](C)NC[C@@H](C)c1cccc(Cl)c1 309539581 FPFIWOZFXXODMF-VXGBXAGGSA-N 237.774 3.998 30 20 BHED C=C(C)CNc1ccc(CC(F)(F)F)cc1 309598142 JDTOSVSLHIUSAR-UHFFFAOYSA-N 229.245 3.779 30 20 BHED C=CCOc1ccc(CN[C@H](CC)C2CC2)cc1 323805265 HOEBBLOGCQFLBH-MRXNPFEDSA-N 245.366 3.530 30 20 BHED C[C@H](Sc1ccncc1)c1ccc(C#N)cc1 336606257 UKEBOMOCGXBUHU-NSHDSACASA-N 240.331 3.807 30 20 BHED CC(C)CCN[C@H]1CCCc2cc(C#N)ccc21 341760473 ZFFMTUZGYAJJNH-INIZCTEOSA-N 242.366 3.571 30 20 BHED Cc1ccc(C)c(CSCC2(C#N)CC2)c1 347073612 SAEFLTXRLYFKEA-UHFFFAOYSA-N 231.364 3.840 30 20 BHED N#CC1(CSc2ccc3c(c2)CCC3)CC1 349160700 RDYUGFFTWXUYJI-UHFFFAOYSA-N 229.348 3.571 30 20 BHED C=CCC[C@H](CC)NCc1ccc2c(c1)COC2 358311733 ZNGWRARQGGSXON-INIZCTEOSA-N 245.366 3.551 30 20 BHED CCCCCCCN1CCC[C@@H](CC#N)C1 397578011 DYLGIZCNOYTYIC-AWEZNQCLSA-N 222.376 3.582 30 20 BHED C=CCC(CC=C)C(=O)N1[C@H](C)CCC1(C)C 411091276 UJVUCIIRDZKFJX-GFCCVEGCSA-N 235.371 3.544 30 20 BHED CC#CCCSCC1CCC(F)(F)CC1 419603842 MRCGKXRHDAEZRL-UHFFFAOYSA-N 232.339 3.959 30 20 BHED C=CCC(C)(C)C(=O)N[C@H](C)c1ccc(C)cc1 429856834 DEBVZABGNAMXPX-CYBMUJFWSA-N 245.366 3.775 30 20 BHED C=CCC(C)(C)C(=O)N1C[C@@H](C)c2ccccc21 429873798 ZVICYDUBHLLVRW-GFCCVEGCSA-N 243.350 3.739 30 20 BHED C=C(C)COc1ccc(Oc2ccccc2)nc1 431876977 YJBKBZXIVNVCEY-UHFFFAOYSA-N 241.290 3.829 30 20 BHED CC(C)CC1(CN[C@H]2CC[C@H](C#N)C2)CCCC1 442783154 PKJRUHYKTHZAMX-GJZGRUSLSA-N 248.414 3.875 30 20 BHED C=CCC1(C(=O)N(C)C2CCCC2)CCCC1 449267073 YEISWRSREGZCOO-UHFFFAOYSA-N 235.371 3.524 30 20 BHED C=C1CCN(C(=O)[C@H](CCC)CC(C)C)CC1 449844010 JVEFUEANGSQLMD-CQSZACIVSA-N 237.387 3.627 30 20 BHED CC1(CSCCCC#N)CCCCC1 451018629 QDNKNKIDKQGIAM-UHFFFAOYSA-N 211.374 3.994 30 20 BHED C=C(C)CCNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 452721276 ZPBZVMVOQXOOBY-RRFJBIMHSA-N 249.398 3.675 30 20 BHED CC#CCCN[C@@H]1CCC[C@@H]1c1ccc(C)cc1 482159977 ZOVMTFHMKJIOMP-IAGOWNOFSA-N 241.378 3.634 30 20 BHED C=C(C)CN(C)C/C=C/c1ccc(Cl)cc1 497129794 NLIMYXLILOINNQ-SNAWJCMRSA-N 235.758 3.861 30 20 BHED CC(C)=CCSCc1ccc(C#N)cc1F 514883391 BXYGRLCWVJJOAK-UHFFFAOYSA-N 235.327 3.897 30 20 BHED C=CCCC(=O)NC1CCC(CCCC)CC1 522538281 AGOSCKSDLGKEEB-UHFFFAOYSA-N 237.387 3.818 30 20 BHED C=CCN(Cc1ccc(OC)cc1)C1CCCC1 535665395 HPTHVKXWTDZIGD-UHFFFAOYSA-N 245.366 3.626 30 20 BHED C=C(CC)CN1CCC(c2ccc(O)cc2)CC1 536890107 NBHMGVGNPFEQEN-UHFFFAOYSA-N 245.366 3.538 30 20 BHED N#Cc1ccccc1OCCCc1ccsc1 542088992 UWCMSFWIPVUWDG-UHFFFAOYSA-N 243.331 3.631 30 20 BHED C=C(C)C[C@H](C)C(=O)N1CC(C)(C)[C@@H]2CCC[C@H]21 571356664 REHQPNCXMQXSKN-BFHYXJOUSA-N 249.398 3.626 30 20 BHED C=CCCCCNC(=O)c1c(C)cc(F)cc1C 613595231 IQCVMHZJTUCXBS-UHFFFAOYSA-N 249.329 3.529 30 20 BHED C=C(C)CCNc1ccc(C)c(NC(C)=O)c1C 685198565 AWHHFHQSRLKCEM-UHFFFAOYSA-N 246.354 3.640 30 20 BHED CCC(=NOCC(C)C)c1ccc(F)cc1 749631339 KZWJOJCEJZWVNQ-UHFFFAOYSA-N 223.291 3.612 30 20 BHED CC[C@H](NCCC1CCC1)c1ccc(C#N)cc1 774258568 CRFXGCGZHXGWER-INIZCTEOSA-N 242.366 3.789 30 20 BHED CCCCC[C@](C)(CC)C(=O)OCCCC#N 781434832 CPWRHMAIVJVBPO-AWEZNQCLSA-N 239.359 3.830 30 20 BHED C=CCN(CCCc1ccsc1)C(C)C 782907092 IXLIEIJIIBSUNO-UHFFFAOYSA-N 223.385 3.577 30 20 BHED CC[C@@H](C)CON=Cc1ccnc2ccccc12 793145390 JAXWWMUQBWNYEA-GFCCVEGCSA-N 242.322 3.631 30 20 BHED C#CC[C@@H](N[C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 800975780 LARLHDVEDYBDAF-HZMVEIRTSA-N 239.362 3.529 30 20 BHED Cc1ccccc1C=NNc1ccccc1F 812459424 YVFNRJHBSCJGSC-UHFFFAOYSA-N 228.270 3.580 30 20 BHED c1ccc(NN=C2CCCC23CCCC3)nc1 814731671 FQAUEEPALGLEPY-UHFFFAOYSA-N 229.327 3.594 30 20 BHED CC(C)CCC=NNc1cc(F)c(F)cc1F 814851815 VVQFKTACEWPGNS-UHFFFAOYSA-N 244.260 3.938 30 20 BHED Clc1cccc(CNN=C2CC[C@@H]2C2CC2)c1 814867888 PWKNQXYTVNWTRA-CYBMUJFWSA-N 248.757 3.606 30 20 BHED CCC[C@@H](CC(C)C)C(=O)OCC(C)(C)C#N 835284224 FMMMLBACNLUOME-LBPRGKRZSA-N 239.359 3.542 30 20 BHED C=CCCCCCCCN[C@@H](C)c1ccn(C)n1 840750861 BPKKXRVLOWEVJJ-AWEZNQCLSA-N 249.402 3.597 30 20 BHED CCCON=C1CCC[C@@H](c2cccnc2)C1 842550230 AKTRRPXPIVVRQL-GFCCVEGCSA-N 232.327 3.522 30 20 BHED Cc1ccc(-c2ccccc2C2(C#N)CC2)cn1 844233872 VJVNHTDISBHJDN-UHFFFAOYSA-N 234.302 3.612 30 20 BHED CCN(Cc1ccccc1C(C)C)C[C@@H](C)C#N 848882391 OIAQYLVMMVYFNL-AWEZNQCLSA-N 244.382 3.792 30 20 BHED C=CC[C@@H]1CCCCC1=NO[C@H]1CCCCO1 853325767 OYKPVDHBRHYWBO-OCCSQVGLSA-N 237.343 3.652 30 20 BHED CC(C)C(=NNc1ccnc(Cl)c1)C1CC1 853394160 ICZXLYCEPZPOGL-UHFFFAOYSA-N 237.734 3.569 30 20 BHED C=CCCC[C@H](C)OC(=O)[C@@H]1C[C@H]1c1ccco1 860441913 RCGLBASURSDHDU-YNEHKIRRSA-N 248.322 3.671 30 20 BHED C=CCCC[C@@H](C)NC(=O)C1CCC(=C)CC1 889873908 PZVRKFLPRHJBIP-CYBMUJFWSA-N 235.371 3.594 30 20 BHED C#C[C@H](C)NCC1CCC(c2ccccc2)CC1 1117587476 VJTTWCZFVIVLTD-UQPPLGOBSA-N 241.378 3.572 30 20 BHED C[C@@H](C#N)CN(C)Cc1ccc(C(C)(C)C)cc1 47979722 QSRLSCPSHCLHOG-ZDUSSCGKSA-N 244.382 3.576 30 20 BHED CC1(CNc2ccc(C#N)cc2F)CCCC1 111617852 YMAKDZREIZMNSB-UHFFFAOYSA-N 232.302 3.690 30 20 BHED C=C(CC)COc1cc(Cl)ccc1C#N 129001062 NLLRGICXUPICEA-UHFFFAOYSA-N 221.687 3.557 30 20 BHED C[C@@H](NCCCC#N)c1cc2ccccc2s1 184366795 ANMOYOZYJAVBFE-LLVKDONJSA-N 244.363 3.856 30 20 BHED C=C[C@](C)(CC)C(=O)N1CCC[C@@](C)(CC)C1 188465970 NLNMAUQPPRHXFV-HUUCEWRRSA-N 237.387 3.627 30 20 BHED N#CCC1(CNc2cc(F)ccc2Cl)CC1 231819203 GOYXOPLQIRJPNE-UHFFFAOYSA-N 238.693 3.585 30 20 BHED O=C(/C=C\c1ccc2c(c1)CCC2)c1ccco1 255594668 QYIJXRCJPHIJEI-CLFYSBASSA-N 238.286 3.664 30 20 BHED Cc1ccc(CON=Cc2ccccc2F)cc1 255613420 UBSVSWULOKQXAU-UHFFFAOYSA-N 243.281 3.685 30 20 BHED C[C@H](SCCCC#N)c1cccs1 308311587 RVYYNNOUKSEQSI-VIFPVBQESA-N 211.355 3.846 30 20 BHED C=CCCCCCCN[C@H]1CC[C@H]1C1CC1 309393861 UYBZYCSYCQTOND-GJZGRUSLSA-N 221.388 3.901 30 20 BHED Cc1cnc([C@@H](C)SCCC(C)(C)C#N)o1 341995426 KARRIKPAHWFZMK-SNVBAGLBSA-N 238.356 3.717 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccccc1F 385136518 HTXGJSZJBXGMBQ-NSHDSACASA-N 221.319 3.689 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccc(F)cc1F 393745320 JBLLHRLIBURUJX-JQWIXIFHSA-N 239.309 3.970 30 20 BHED CCC1(NCc2ccc(CC#N)cc2)CCCC1 399138423 SQUSULHNZFZKBV-UHFFFAOYSA-N 242.366 3.565 30 20 BHED C[C@H](CCC#N)Sc1ccc2c(c1)CCC2 412993266 XITNWAQMSSZPGL-LLVKDONJSA-N 231.364 3.960 30 20 BHED CC(C)N(CCS[C@H](C)CCC#N)C(C)C 413005197 YSHAURYUSCYSHZ-CYBMUJFWSA-N 242.432 3.531 30 20 BHED Cc1ccc(C)c(OCC2(C#N)CCC2)c1C 418766847 ROFACNULWTWARO-UHFFFAOYSA-N 229.323 3.685 30 20 BHED C=CCN(CC=C)CCSCc1ccccc1 430760535 JGZGZULYAXRDGJ-UHFFFAOYSA-N 247.407 3.594 30 20 BHED Cc1cccc(SCC2(C#N)CCC2)c1 450821403 AMMDBKORWQKBNP-UHFFFAOYSA-N 217.337 3.781 30 20 BHED C=C(C)CCN[C@@H](C)c1cc(C)c(C)o1 453310644 FXJPBKOXCRYHND-NSHDSACASA-N 207.317 3.513 30 20 BHED CCOc1ccc(C#N)cc1N[C@@H](C)CC1CC1 468513786 FWQRDBFUJQKJMN-NSHDSACASA-N 244.338 3.557 30 20 BHED C=C(C)CN(Cc1c(F)cccc1F)C1CC1 484302274 KJPQNGAAYMAESE-UHFFFAOYSA-N 237.293 3.505 30 20 BHED CCC(CC)c1noc(C(C#N)(CC)CC)n1 528132738 SLGCZTMZBZNOOP-UHFFFAOYSA-N 235.331 3.555 30 20 BHED N#CCNC1(c2ccc(Cl)cc2)CCCCC1 533370729 YSTMYOGFEDWRCH-UHFFFAOYSA-N 248.757 3.613 30 20 BHED C=CCC(C)(C)c1noc([C@H]2C[C@H]3CC[C@H]2C3)n1 560029938 ZOLVRHNLELXRBH-SRVKXCTJSA-N 246.354 3.827 30 20 BHED C=CCCCCS[C@@H](C)c1nc(CC)no1 562823947 FJRXYFXOQUJUGN-JTQLQIEISA-N 240.372 3.783 30 20 BHED C=C[C@@](C)(CC)C(=O)NCCC(C)(C)C1CC1 567268086 LIXGRVUVHLOYMX-HNNXBMFYSA-N 237.387 3.531 30 20 BHED N#Cc1c(F)cccc1SCCCCF 594898172 YXWPZHXRCHEENW-UHFFFAOYSA-N 227.279 3.539 30 20 BHED C=CCC[C@@H](NCC1(SCC)CC1)C1CC1 595098560 IKXXNSYSOYSMGR-CYBMUJFWSA-N 239.428 3.607 30 20 BHED C=CCCCN1CCSC[C@H]1c1ccccc1 605150990 QKXSBIFRIYUKFL-HNNXBMFYSA-N 247.407 3.743 30 20 BHED CC[C@H](C)CS[C@H](C#N)Cc1ccccc1 610684821 IWJMYCFKAAKJHD-JSGCOSHPSA-N 233.380 3.901 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1NCCC(C)(F)F 658022711 CXJOXOIYJDLNDE-NEPJUHHUSA-N 231.330 3.756 30 20 BHED Cc1cccc(C=Nn2cnc3ccccc32)c1C 731151609 MGTHDXQHLHNKRN-UHFFFAOYSA-N 249.317 3.535 30 20 BHED CCC(C=NNc1ccc(F)cc1C)CC 750938454 HUUYMGGPOVLCAX-UHFFFAOYSA-N 222.307 3.968 30 20 BHED CC(CC1CCCC1)=NOCC(F)(F)F 752736188 SYCUKULBFVDNRQ-UHFFFAOYSA-N 223.238 3.522 30 20 BHED C=CC[C@H](N[C@H](C)[C@H](C)CC)c1ccncc1 766020087 MFMSMAGPINILPA-NFAWXSAZSA-N 232.371 3.723 30 20 BHED CCc1ccccc1NN=C1CC2(CCC2)C1 772839342 CCULOEUNNXJGDH-UHFFFAOYSA-N 228.339 3.981 30 20 BHED C#CC[C@@H](N[C@@H](C)C1CCC1)c1ccccc1 773114769 JRTIXNZPAMSSTL-XJKSGUPXSA-N 227.351 3.529 30 20 BHED C#CCCCCC(=O)N[C@H]1CCCC[C@@H]1CCC 773322474 ORTNKZFAWPCYGG-GJZGRUSLSA-N 249.398 3.655 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C(/C)CCC 775925298 JNIGQYAXKLLSRN-HHQWOOOKSA-N 223.360 3.594 30 20 BHED C=CCCCCCCCNC[C@@H]1CCC=CO1 811509693 AGHPSVMXDUGKGZ-HNNXBMFYSA-N 237.387 3.795 30 20 BHED FC(F)(F)c1ccccc1C=NOC1CCC1 812237182 OJNZASRORKIUHU-UHFFFAOYSA-N 243.228 3.608 30 20 BHED c1ccc2sc(NN=C3CC4(CC4)C3)nc2c1 814686553 NGZFIGRYQKFBGT-UHFFFAOYSA-N 243.335 3.638 30 20 BHED CCCCCCCCNC(=O)[C@H](C)C(C)(F)F 815871992 AQDDBDSZWFFMPY-NSHDSACASA-N 249.345 3.754 30 20 BHED CCC(=NOCCC(F)(F)F)C1CCCC1 834973049 SMUZXVASHFDRCI-UHFFFAOYSA-N 237.265 3.912 30 20 BHED C=C[C@H](C)ON=C[C@H](C)CCc1ccccc1 844621039 BZMNRILCKDTLBB-KGLIPLIRSA-N 231.339 3.832 30 20 BHED Clc1cc(NN=C2CCCC23CCC3)ccn1 853395233 PVCOREGZFJAXJH-UHFFFAOYSA-N 249.745 3.857 30 20 BHED Cc1cccc(NN=C[C@@H]2CCCC[C@@H]2C)n1 863160301 YORQPHIENWHIDF-AAEUAGOBSA-N 231.343 3.614 30 20 BHED Cc1ccc(C)c(NN=Cc2cc(C)[nH]c2C)c1 917573350 QKGQBKHWDHOEPZ-UHFFFAOYSA-N 241.338 3.694 30 20 BHED CC(C)(C)ON=C[C@H]1C[C@@H]1c1ccccc1 1253789892 XVMDKAGRPNNAIS-CHWSQXEVSA-N 217.312 3.591 30 20 BHED CC(C)CC(CC(C)C)NCC(C)(C)CC#N 1560878898 IKXYNNJXQXEQIX-UHFFFAOYSA-N 238.419 3.977 30 20 BHED C=CCCCCNc1cccc([C@H](C)C(=O)O)c1 1588802350 IAOLYTKALKKFFX-LBPRGKRZSA-N 247.338 3.643 30 20 BHED Cc1cccc(CNc2ccc(CC#N)cc2)c1 35046260 VSYOBRTXBGCVJZ-UHFFFAOYSA-N 236.318 3.673 30 20 BHED C=CCCNc1ccc(C)cc1Br 70591240 PNUHLYYEKSFGIU-UHFFFAOYSA-N 240.144 3.746 30 20 BHED CC(C)(C#N)CCN1CCCCc2ccccc21 88333623 QVAITAGVGIHWBC-UHFFFAOYSA-N 242.366 3.769 30 20 BHED CN(CC(C)(C)CCC#N)C1CCCCC1 157514630 HHLPWOMLUIGEKU-UHFFFAOYSA-N 222.376 3.581 30 20 BHED C=CCCCN[C@@](C)(CC)c1nc(C)cs1 173947680 QZPAZSMPUVVKRG-ZDUSSCGKSA-N 238.400 3.633 30 20 BHED C#CCCCCC(=O)N[C@H](C)CCCC(C)C 179705459 QQHACCHRHMADIH-CQSZACIVSA-N 237.387 3.511 30 20 BHED C#CCCCCC(=O)N1CCC[C@H]1[C@@H](C)CCC 180410401 LFSUBXBUNZTJEU-GJZGRUSLSA-N 249.398 3.607 30 20 BHED CCOc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 185721641 GKUCLQJPDUTWNM-TZMCWYRMSA-N 244.338 3.580 30 20 BHED N#C[C@@H]1CCC[C@H](Nc2ccc3c(c2)CCC3)C1 185789786 ABAARPGBKLMTBQ-DOMZBBRYSA-N 240.350 3.670 30 20 BHED C[C@H]1CCCN(CCCC#N)c2ccccc21 185981096 UCIQCQCUTFXODD-ZDUSSCGKSA-N 228.339 3.694 30 20 BHED O=C(/C=C\c1cccnc1)c1cccc(Cl)c1 208864177 IASOQADGKVJCGU-SREVYHEPSA-N 243.693 3.631 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C 246096039 LROGRJQJZFDGOA-VNHYZAJKSA-N 249.398 3.696 30 20 BHED CCc1ccc(CON=Cc2cccs2)cc1 255041124 MQTFYCADCKZIRY-UHFFFAOYSA-N 245.347 3.861 30 20 BHED COc1cc(C#N)ccc1OC[C@H](C)CC(C)C 305964798 OYQFKBIDLAZCAV-GFCCVEGCSA-N 247.338 3.628 30 20 BHED C=C[C@H](C)Nc1nc2cccc(C)c2s1 309137926 SKXXZPAUFQXEBD-VIFPVBQESA-N 218.325 3.591 30 20 BHED C=CC[C@H](CC)N[C@@H]1CC[C@H](C)[C@H](C)C1 309142821 HQBKHEXXVQTLQV-RFQIPJPRSA-N 209.377 3.755 30 20 BHED C=CCCC1(C(=O)NCC2CCC(C)CC2)CC1 354982669 REJDJEVSTQNBEA-UHFFFAOYSA-N 249.398 3.675 30 20 BHED C=CCOc1cccc(CN2[C@H](C)CC[C@H]2C)c1 354996449 WRRGZSDVTUIKNT-ZIAGYGMSSA-N 245.366 3.624 30 20 BHED CCC[C@H](CC)[S@@](=O)CCCC(C)(C)C#N 359446197 YRXBRUKPZIWGPE-LRDDRELGSA-N 243.416 3.644 30 20 BHED C=CC[C@H](CC)Nc1ncc(Cl)cc1F 379977429 FEFNAJURZRYBKO-VIFPVBQESA-N 228.698 3.641 30 20 BHED C=CCC[C@H](NC[C@@H]1CCC[C@H]1C)C1CC1 390673848 WLOJXMDGLCNXKP-SNPRPXQTSA-N 221.388 3.757 30 20 BHED CCN(CCC1CC1)[C@@H](C)c1ccc(C#N)cc1 409445541 MTPYYCGZKFLNOJ-ZDUSSCGKSA-N 242.366 3.741 30 20 BHED C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[C@@H]1C1CC1 412471403 HRBUFSZCISXFDR-IIAWOOMASA-N 249.398 3.531 30 20 BHED C=CCC[C@@H](CCC)NC[C@@H]1CC12CC2 417337217 LBCLEOOCPUQOOL-QWHCGFSZSA-N 207.361 3.511 30 20 BHED N#Cc1cccc(CNc2ccc3ccoc3c2)c1 442876562 PRXZPZDTLVVYQZ-UHFFFAOYSA-N 248.285 3.917 30 20 BHED Cc1cc(OCC2(C#N)CCC2)ccc1Cl 450625128 DWKNCDROMWXSKN-UHFFFAOYSA-N 235.714 3.721 30 20 BHED C=C(CC)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C 453351138 IBPMZXOPNKITNX-LBPRGKRZSA-N 248.326 3.520 30 20 BHED CC#CCCN1C[C@H](C)C[C@@H]1c1cccc(F)c1 462322856 QZLHVTUNMBSRTP-CZUORRHYSA-N 245.341 3.622 30 20 BHED C=CC[C@H](CC)N[C@@H]1C[C@@H](OC(C)C)C1(C)C 467411051 LZYGZMYLLKHNPL-BFHYXJOUSA-N 239.403 3.523 30 20 BHED C=CCCC1(C(=O)NC2CCCCCC2)CC1 474086119 BOSAQPREOAMUNO-UHFFFAOYSA-N 235.371 3.572 30 20 BHED C=CCCCCCS[C@@H](C)CCOC 485580385 OYFSBDYNJFAOAP-LBPRGKRZSA-N 216.390 3.891 30 20 BHED C=C(C)CN(CC)Cc1cc(F)ccc1C 491873321 FDCMOZBIEHRTGA-UHFFFAOYSA-N 221.319 3.532 30 20 BHED C=CCC[C@H](CCC)NC[C@H]1CCO[C@@H](C)C1 539968994 MRKCLOZHKXLGHR-KKUMJFAQSA-N 239.403 3.526 30 20 BHED C=CC(C)(C)CNC(=O)C[C@H]1CCCC[C@@H]1C 556396386 LOCPFKLBMXCJFE-QWHCGFSZSA-N 237.387 3.531 30 20 BHED N#Cc1ccc(CSC2CCCC2)s1 578643231 ROXGDOKFLFYDMB-UHFFFAOYSA-N 223.366 3.796 30 20 BHED C=CCCCCCSCC1(C)COC1 596357080 NYIGSLUOSBUJMR-UHFFFAOYSA-N 214.374 3.503 30 20 BHED C[C@H](CCC#N)CN1[C@H](C)C[C@@H]2CCCC[C@H]21 602473529 OJIDHZNFSBENRK-APIJFGDWSA-N 234.387 3.579 30 20 BHED C=CCN(C(=O)[C@@H]1CCCC[C@@H]1C)C(C)(C)C 622945783 SRLBBCVUCFLGDV-QWHCGFSZSA-N 237.387 3.626 30 20 BHED C=CCC(C)(C)CNCc1cc2ccccc2[nH]1 645185150 ZEQQSVKNTOPVPQ-UHFFFAOYSA-N 242.366 3.860 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]1c1ccco1 658039308 XXRRAOFXOSTJDG-APIJFGDWSA-N 245.366 3.860 30 20 BHED CCC(CC)NN=C1CCC(C)(C)CC1 735973359 GSIIJIFIQWVGSR-UHFFFAOYSA-N 210.365 3.721 30 20 BHED CCC(C=NNc1ccc(F)cc1OC)CC 761891166 VQIMBDATRNDRLP-UHFFFAOYSA-N 238.306 3.668 30 20 BHED CCC(C=NNc1ncnc2ccsc12)CC 764834984 JPESTBIJWVGZTI-UHFFFAOYSA-N 248.355 3.525 30 20 BHED C#CC[C@H](NCC1CCCC1)c1ccccc1 775401593 VWSSEBHLNKQNKW-INIZCTEOSA-N 227.351 3.531 30 20 BHED C=C[C@@](C)(CC)C(=O)Oc1ccc(OCC)cc1 785470045 RBGKXWNJXFTEHI-HNNXBMFYSA-N 248.322 3.593 30 20 BHED C=CCCCCCN1CC[C@H](C(F)(F)F)C1 785766048 JTPBZTVLGZPFLO-NSHDSACASA-N 235.293 3.617 30 20 BHED CC[C@H](C)NN=C1CCC[C@H]1CCC(C)C 790186859 CEVOQBZARNMAMQ-STQMWFEESA-N 224.392 3.967 30 20 BHED Cc1cccc(C=NN[C@H](C)C(C)(C)C)c1C 793116392 XKNKHFVIZYPPCJ-CYBMUJFWSA-N 232.371 3.662 30 20 BHED C=CCCCCCCN[C@@H](C)[C@H]1CCCOC1 806167796 KMJGOCJRBGFUKS-GJZGRUSLSA-N 239.403 3.528 30 20 BHED C=CCCCCCCCNC(=O)CC1(C)CC1 810767840 YQAJIBXXUCXMKY-UHFFFAOYSA-N 237.387 3.819 30 20 BHED CC(C)C1CCC(=NOC2CCC2)CC1 812236237 IGXAHXYTCPJRPN-UHFFFAOYSA-N 209.333 3.758 30 20 BHED Fc1ccc([C@@H]2CCCC2=NOCC2CC2)cc1 814244302 MSJFEULPIBMVEJ-AWEZNQCLSA-N 247.313 3.876 30 20 BHED C=C[C@H](C)ON=C(C)[C@@H](C)c1ccc(OC)cc1 844622106 URXYXKITNDIIAO-NWDGAFQWSA-N 247.338 3.766 30 20 BHED C[C@@H](CCC#N)CN1CCC2(CCCC2)CC1 876689233 ATWHOZXEARIJGJ-AWEZNQCLSA-N 234.387 3.582 30 20 BHED CC(C)(C)ON=C1CCC[C@H](c2cccnc2)C1 1327047767 YWVFKFCZRVQRNF-LBPRGKRZSA-N 246.354 3.910 30 20 BHED C=C(Cl)CN1CCCC(CC)(CC)C1 1559997927 KQGLATLNQKESJA-UHFFFAOYSA-N 215.768 3.641 30 20 BHED Cc1ccccc1/C=C1/Cc2ccccc2C1=O 35301623 HSYNVFYZSRFHGY-GDNBJRDFSA-N 234.298 3.817 30 20 BHED CCCN(c1ccc(C#N)c(Cl)c1)C1CC1 61850821 VMWCIVADVAUAEN-UHFFFAOYSA-N 234.730 3.590 30 20 BHED C=CCCNc1ccc(C)c(Br)c1 70592427 QKSDBVRXVCOMDD-UHFFFAOYSA-N 240.144 3.746 30 20 BHED C=C(CC)CNc1ccc(OC)c(Cl)c1 85056943 WRFVUXHORMGXNE-UHFFFAOYSA-N 225.719 3.727 30 20 BHED Cc1cccc(NCc2cc(C#N)cs2)c1 86500199 MNQZUIZRODFLCR-UHFFFAOYSA-N 228.320 3.540 30 20 BHED C=CC[C@H](C)NCc1ccc(C(F)(F)F)cc1 116927295 HIGXMFQXLVINTE-JTQLQIEISA-N 243.272 3.760 30 20 BHED Cc1ccc(CN(CCCC#N)C2CC2)cc1C 120461154 XJCJEGDWAXUNIG-UHFFFAOYSA-N 242.366 3.572 30 20 BHED C[C@H]1CC[C@H](NCC(C)(C)C#N)c2ccccc21 122324243 QTRMNVJYQBQZHT-WFASDCNBSA-N 242.366 3.764 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H]1CCCc2occc21 152248584 ILBQFHULYZYNLD-OUCADQQQSA-N 233.355 3.847 30 20 BHED C=CCC[C@H](C)Nc1ccc(F)c(OC)c1 162873713 SIVHZHKTXPHVHG-JTQLQIEISA-N 223.291 3.601 30 20 BHED C=CCCCC(=O)N(C)[C@H](C)c1cccs1 175347527 JDKKHVLDMPQBRO-LLVKDONJSA-N 237.368 3.624 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H](C)c1cc(C)oc1C 191132608 LSVRUNZCSIDYTJ-IAQYHMDHSA-N 249.354 3.676 30 20 BHED C=CCN(CC=C)CC[C@H](C)c1ccccc1 217557703 ABIFXNGFMXIYSZ-HNNXBMFYSA-N 229.367 3.854 30 20 BHED C#CCCCCN[C@H](CC)c1ccc(C)cc1 222291967 GYISRIKQODAQIY-MRXNPFEDSA-N 229.367 3.839 30 20 BHED C=CCCCCN[C@@H](C)c1cnn(C(C)C)c1C 276499162 JDCIQAIFOKXVNP-ZDUSSCGKSA-N 249.402 3.779 30 20 BHED CCC(CC)CNc1cccc(CC#N)c1 313479265 MZJYAARCGVFQBS-UHFFFAOYSA-N 216.328 3.601 30 20 BHED N#CC1(CSc2ncccc2Cl)CCC1 335584139 LIERHWZHIWGKPD-UHFFFAOYSA-N 238.743 3.521 30 20 BHED C[C@@H](C#N)SC1CCC(C(F)(F)F)CC1 336270015 CGVDGMGMCWXRAZ-UEJVZZJDSA-N 237.290 3.753 30 20 BHED N#CCCCN1CCCCCc2ccccc21 361866380 ABAQFNDUVHCNLT-UHFFFAOYSA-N 228.339 3.523 30 20 BHED C[C@@H](SCCC#N)c1cc(F)ccc1F 413017473 YSUCRVPELKUGDV-MRVPVSSYSA-N 227.279 3.673 30 20 BHED C=C[C@](C)(CC)C(=O)N1CC[C@@H](C2CCCC2)C1 421644901 GBRCZYAGPJBSKL-GDBMZVCRSA-N 249.398 3.627 30 20 BHED C=C(C)C(C)(C)C(=O)N1C[C@@H](C)c2ccccc21 424585995 DOOVZUZOLZMWSB-GFCCVEGCSA-N 243.350 3.739 30 20 BHED C=CCC(C)(C)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 431799946 VIRJNCSNSKMNDU-ZOBORPQBSA-N 249.398 3.530 30 20 BHED C=CC(C)(C)CN[C@H](C)[C@H](OC)c1ccccc1 453312584 VINGLEHMNWXIKW-HIFRSBDPSA-N 247.382 3.564 30 20 BHED N#Cc1ccc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 462912365 QSQAYGYYVFGKCS-SQWLQELKSA-N 240.350 3.939 30 20 BHED C=C[C@@H](C)NC(=O)Nc1ccc(CCCC)cc1 465162042 AEIGYQAPIQUDJC-GFCCVEGCSA-N 246.354 3.725 30 20 BHED N#Cc1ccc(SCC2CCCCC2)nc1 476578594 AKYDCQOWDGLSEW-UHFFFAOYSA-N 232.352 3.626 30 20 BHED C=C(C)CN(C)c1cccc(OC(F)(F)F)c1 489126313 HRJRFNNBGXEQIQ-UHFFFAOYSA-N 245.244 3.598 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@H]1CC2CCC1CC2 497936302 GLVKIRFFDLWJTH-URGYJCLVSA-N 249.398 3.674 30 20 BHED C=C(C)CCSc1nc2ccccc2n1C 505455035 FLLOANJXXJDSBM-UHFFFAOYSA-N 232.352 3.632 30 20 BHED CC(C)(CCC#N)CN1CC(C)(C)[C@@H]2CCC[C@H]21 552138417 PKUGQXOOXLFRMC-ZIAGYGMSSA-N 248.414 3.827 30 20 BHED C=C(CC)CN1CC[C@@H](c2cccc(F)c2)C1 557290975 FINGEUSHQNRROP-CQSZACIVSA-N 233.330 3.581 30 20 BHED C=CCCCC[C@@H](C)NCc1ccc(OC)cc1 557886328 GSYXOYLBJPULCS-CQSZACIVSA-N 247.382 3.920 30 20 BHED C=CCCCCNC(C)(C)c1ccc(C)nc1 562703255 AIEVCQUDVRKOKJ-UHFFFAOYSA-N 232.371 3.571 30 20 BHED C=CCCCCNc1ccccc1CCOC 577579989 YYBHWMFPJVFMMM-UHFFFAOYSA-N 233.355 3.644 30 20 BHED CC(C)=CCSCc1ccc(C#N)s1 577625878 VMJUXQDHDSAPDR-UHFFFAOYSA-N 223.366 3.819 30 20 BHED C[C@@H](CCC#N)CN1CCC[C@@H]1c1ccccc1 602434185 NQNYDSFIZFBKJM-GOEBONIOSA-N 242.366 3.763 30 20 BHED CN(CCCCC#N)[C@@H]1CCCc2ccccc21 610665306 CWGCKZIRESYKNM-MRXNPFEDSA-N 242.366 3.690 30 20 BHED N#Cc1ccc(CNc2ccc(C3CC3)cc2)o1 611314603 QPYMUXMQZRJCRS-UHFFFAOYSA-N 238.290 3.641 30 20 BHED C=C[C@H]1CCCCN1C(=O)c1sc(C)cc1C 632782018 YYCHLKSGTIASMW-LBPRGKRZSA-N 249.379 3.546 30 20 BHED C=CCC[C@H](CCC)N[C@@H]1CCS[C@@H]1C 647357997 LBXMMUJYZRFJDV-FRRDWIJNSA-N 227.417 3.605 30 20 BHED C=CC[C@@H](CC)NCc1cc2ccccc2[nH]1 684930532 FPUFZUQYMKFLOE-CYBMUJFWSA-N 228.339 3.612 30 20 BHED CC(CCC1CCCCC1)=NNc1cnccn1 731926091 LAGPLRKWBRZDJG-UHFFFAOYSA-N 246.358 3.625 30 20 BHED CC#CCCNC(=O)C[C@@H](C)CCCCCC 756139935 DMNQGGJJUYBQGI-AWEZNQCLSA-N 237.387 3.513 30 20 BHED CCCCC[C@H](C(=O)OCCCC#N)C(C)C 756670874 OYSNAAXOXPSFLH-ZDUSSCGKSA-N 239.359 3.686 30 20 BHED Cc1cccc(F)c1NN=C/C=C\c1ccco1 769840409 JWWXJQJEZICUEB-ZCTXJBCCSA-N 244.269 3.838 30 20 BHED C=C(C)CCN1CCC(c2ccc(F)cc2)CC1 775614256 ZZHPAXBQSJYPMB-UHFFFAOYSA-N 247.357 3.971 30 20 BHED CC[C@@H](C)NN=C(CC(C)(C)C)C1CC1 790182928 GYOFKQAMECTURD-SNVBAGLBSA-N 210.365 3.577 30 20 BHED Cc1cccnc1NN=C[C@H]1CCC[C@@H](C)C1 790187243 UCXROMSBNLPSDY-YPMHNXCESA-N 231.343 3.614 30 20 BHED CC[C@H]1CC[C@H](C)CC1=NOCC(F)(F)F 797401273 GSSQVALOEWFSLH-IUCAKERBSA-N 237.265 3.768 30 20 BHED COc1ccccc1CON=C1CCCC1(C)C 799117550 KFPOQCAJVXSONR-UHFFFAOYSA-N 247.338 3.778 30 20 BHED CON=C(C)CC(C)(C)c1c[nH]c2ccccc12 799476171 YHGNAZPTAWJUFV-UHFFFAOYSA-N 244.338 3.858 30 20 BHED CC(C)(C#N)[C@@H]1CCCC1=NOCCC1CC1 814941561 MAJWSGLLHGNYDR-GFCCVEGCSA-N 234.343 3.509 30 20 BHED CC(C)ON=C1CCC[C@@H](C(F)(F)F)C1 835003733 ZQRFOXDWGXECQF-MRVPVSSYSA-N 223.238 3.520 30 20 BHED Cc1ccc([C@@H](C)NC[C@H](C)CCC#N)s1 876964650 LXRKFCGELBNUHB-ZYHUDNBSSA-N 236.384 3.647 30 20 BHED C=CC(C)(C)CC(=O)N[C@@H](C)c1ccsc1 879884661 GVOVOYHVWONQEI-JTQLQIEISA-N 237.368 3.528 30 20 BHED Fc1cccc(C=NNc2ccc(Cl)cc2)c1 916247003 TXOCSSXLCIFJIW-UHFFFAOYSA-N 248.688 3.925 30 20 BHED Cc1ccc(NN=Cc2ccccc2F)cc1 916250450 GHMNKJZMXICQBV-UHFFFAOYSA-N 228.270 3.580 30 20 BHED C=C(Cl)CN1CCCCC[C@@H]1C(C)C 1168580170 MKYTZKLRJKEFRJ-GFCCVEGCSA-N 215.768 3.640 30 20 BHED C=CCOc1cccc(Cl)c1Cl 32296756 JEQWQCYJSRVOJJ-UHFFFAOYSA-N 203.068 3.558 30 20 BHED CCCC[C@H](CC)Nc1cccc(OCC#N)c1 69374244 MUGLGGXSFDSRGJ-ZDUSSCGKSA-N 246.354 3.970 30 20 BHED C=CCCCN1C(=O)c2cccc3cccc1c23 77238296 AVYQWSCPRAVCIN-UHFFFAOYSA-N 237.302 3.766 30 20 BHED CCC1(C)CCN(c2ccc(F)cc2C#N)CC1 111036728 VDUKQOVTBVZZOD-UHFFFAOYSA-N 246.329 3.714 30 20 BHED CCCCCCCc1nc(-c2ccncc2)no1 113740456 GXTGBTUGHQSYGF-UHFFFAOYSA-N 245.326 3.645 30 20 BHED C=CCN(C)Cc1c(Cl)ccc2cccnc12 121492392 JMGUDOXNAZCSAD-UHFFFAOYSA-N 246.741 3.506 30 20 BHED C=C(C)COCCN[C@@H](C)c1cc(C)cc(C)c1 163508535 IUIFFTNVGFWOSG-HNNXBMFYSA-N 247.382 3.547 30 20 BHED CC(C)C[C@@H]1CCN(CCCC(C)(C)C#N)C1 174883117 CKUWQJPCWIFNRX-AWEZNQCLSA-N 236.403 3.684 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1cccc(O)c1 192035657 KMQBAUXWVTXJRR-YNEHKIRRSA-N 233.355 3.644 30 20 BHED C[C@@H]1CC[C@@H](Nc2ccc(CC#N)cc2)C[C@H]1C 251880151 RDBGYABONDDPSC-XJKCOSOUSA-N 242.366 3.989 30 20 BHED CSc1ccc(CSCCCC#N)cc1 276591449 IJMHRLTXYSYRGC-UHFFFAOYSA-N 237.393 3.945 30 20 BHED N#Cc1ccc(N[C@@H]2CC23CCCCC3)cc1 301969229 BFKWWJKVGKKTIW-CQSZACIVSA-N 226.323 3.693 30 20 BHED C#C[C@H](N[C@@H](C)CSC(C)(C)C)C(C)(C)C 309555049 JLKWGXPFPCJSFY-RYUDHWBXSA-N 241.444 3.544 30 20 BHED C=CCC[C@@H](C)NCCC(C)(C)C1CC1 328471144 ZUKWNIHRXUACOY-GFCCVEGCSA-N 209.377 3.757 30 20 BHED CC1(C)CC[C@@H](C(O)=Nc2ncc(C3CC3)[nH]2)C1 329293815 JJLIWFIITRDZPI-SNVBAGLBSA-N 247.342 3.701 30 20 BHED C=C(C)CCN[C@@H](CC)c1ccccc1F 386641746 AEGZPZFLGZWACE-AWEZNQCLSA-N 221.319 3.833 30 20 BHED C#CCCCNc1ccc(C2CCC2)cc1 390152162 UTSWXCKNGHRQIU-UHFFFAOYSA-N 213.324 3.779 30 20 BHED C=CCC[C@H](C)Nc1cccc2cc[nH]c12 390362548 SFTARZHZJAIPQT-NSHDSACASA-N 214.312 3.935 30 20 BHED CC(C)CN(Cc1ccc(CC#N)cc1)C(C)C 399075459 PMELMKKPFUDOCD-UHFFFAOYSA-N 244.382 3.619 30 20 BHED C=CC[C@H](CC)NC(=O)C1CCC(C)(C)CC1 410138748 HJXDEOHCGSCLKW-ZDUSSCGKSA-N 237.387 3.674 30 20 BHED C=CCC(C)(C)CN[C@H](C)C1(OC)CCCC1 421852357 HDUCLIJGWUOGMW-CYBMUJFWSA-N 239.403 3.526 30 20 BHED C=C(C)COc1cnccc1-c1ccccc1 434726489 BECRWVBZFIOFEM-UHFFFAOYSA-N 225.291 3.704 30 20 BHED C=CCC[C@@H](C)NC[C@H](OCC)c1ccccc1 446832845 AVKUHYGMOCOHNA-ZBFHGGJFSA-N 247.382 3.709 30 20 BHED C=C(C)CCN[C@H](C)CCc1ccc(F)cc1 449475937 MAGFUBISQPSGNJ-CYBMUJFWSA-N 235.346 3.703 30 20 BHED C=CCC(C)(C)C(=O)NCC(C(C)C)C(C)C 505427688 NJOSHIKVGXFXKZ-UHFFFAOYSA-N 239.403 3.633 30 20 BHED CCC(CC)SCCOc1cccc(C#N)c1 519963531 WPYDJXSYEFFHFD-UHFFFAOYSA-N 249.379 3.859 30 20 BHED C=CC[C@@H](C)N[C@@H](Cc1cccc(C)c1)C1CC1 540171463 XOWYAWHTHWEMBF-PBHICJAKSA-N 243.394 3.870 30 20 BHED CCCC1CCC(CN[C@@H](CC)CC#N)CC1 546582305 SVHHZARIDFCAEM-NRXISQOPSA-N 236.403 3.875 30 20 BHED C=CCC(C)(C)C(=O)N1CCC2(CCCCC2)C1 551119218 VUXYNXBDNGKFSF-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CCC(C)(C)c1noc([C@@H]2C[C@@]2(C)CC)n1 556363351 XFBOJAFBCIZINC-IINYFYTJSA-N 234.343 3.827 30 20 BHED CCc1ccccc1CON=Cc1cccs1 588547053 BOEDBGHLQAZCSV-UHFFFAOYSA-N 245.347 3.861 30 20 BHED C=CCCNc1ccccc1OC1CCCC1 607149290 JFVIYCMAHAARIO-UHFFFAOYSA-N 231.339 3.996 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H]1CCCC1(C)C 620858089 VTISARHIOAFCMC-LBPRGKRZSA-N 237.387 3.674 30 20 BHED C=CCCN[C@@H](c1ccc(C)o1)C1CCC1 658112881 AFIJHUWXBNTHHB-CQSZACIVSA-N 219.328 3.595 30 20 BHED C=CCCCCCN(C)C(=O)/C(C)=C/CC 739653262 AMWLQZGFXQNTDK-ACCUITESSA-N 223.360 3.548 30 20 BHED CON=C(CC(C)C)c1ccc(Cl)cc1 740760367 AVTXCIMOMFPIRD-UHFFFAOYSA-N 225.719 3.737 30 20 BHED C=CCCCC(=O)Nc1ccc(CCC)cc1 748286450 TUFSIKFLKFUQIH-UHFFFAOYSA-N 231.339 3.934 30 20 BHED CCCCCCCCNC(=O)[C@@H](C)C1CC1 754853705 JNOZCFYZPCGPCN-LBPRGKRZSA-N 225.376 3.509 30 20 BHED C#CCCCSc1c(F)cc(F)cc1F 766289297 KPUPOQPYVFZVDM-UHFFFAOYSA-N 230.254 3.609 30 20 BHED C=C(CC)COC(=O)CCCc1ccccc1 773494517 LIFWSOCFMIOXEU-UHFFFAOYSA-N 232.323 3.519 30 20 BHED C=CCCCn1nc(Cl)c2ccccc21 775681493 BJQJRLVLZWPUSA-UHFFFAOYSA-N 220.703 3.656 30 20 BHED C#CC[C@H](N[C@H](CC)CCC)c1ccccc1 776169159 DVOJHJVNPJCNSG-CVEARBPZSA-N 229.367 3.919 30 20 BHED C(=NOC1CCCCC1)c1c[nH]c2ccccc12 777458265 BFJVNVYIQDODQK-UHFFFAOYSA-N 242.322 3.851 30 20 BHED C=CCCCCCOC(=O)c1ncc(C)cc1C 784612869 KCZZMVQJSYOMQY-UHFFFAOYSA-N 247.338 3.602 30 20 BHED C=C[C@@](C)(CC)C(=O)Oc1cc(C)ccc1C 786609878 UDEKWGPNJKGUMQ-HNNXBMFYSA-N 232.323 3.811 30 20 BHED C#CCCCCNc1nc2cccc(C)c2s1 795112857 QUTOJDKOTZLNOF-UHFFFAOYSA-N 244.363 3.820 30 20 BHED CCCC(=NOC(C)C)c1ccsc1 835001194 DORYSHXTJGRPSP-UHFFFAOYSA-N 211.330 3.677 30 20 BHED C#CC[C@H](NC1CC2(CCC2)C1)c1ccccc1 838983571 WKIJZFCTSZUKCH-INIZCTEOSA-N 239.362 3.673 30 20 BHED F[C@H]1CCCC1=NNc1cccc2cnccc12 872351393 VTSZMQHYLTWEEH-LBPRGKRZSA-N 243.285 3.525 30 20 BHED CCC[C@@H](CC)SCc1cc(C#N)ccn1 901550080 YUZMNMIUZLRJDS-CYBMUJFWSA-N 234.368 3.765 30 20 BHED C=C(C)CCC(=O)N1CCCC[C@@H]1CC(C)C 1335811955 UXXRVLMEDGXLBP-CQSZACIVSA-N 237.387 3.770 30 20 BHED CC(C)[C@@H]1CCC[C@@H]1Nc1cc(F)cc(C#N)c1 1462503694 MFESPKGXWRHROJ-GJZGRUSLSA-N 246.329 3.934 30 20 BHED N#CC1(CS[C@@H]2CCOc3ccccc32)CC1 1613618573 WDCZPVMFICZZPO-CYBMUJFWSA-N 245.347 3.547 30 20 BHED C=CCN[C@H](CC)c1cccc(Cl)c1 19875847 MDOZTRXITDWJHD-GFCCVEGCSA-N 209.720 3.567 30 20 BHED CCCC[C@@H](C)N[C@H](C)c1cccc(C#N)c1 50887651 DUFBAWRUVHPQDK-CHWSQXEVSA-N 230.355 3.788 30 20 BHED CC[C@H](C)N(CCCC#N)Cc1ccccc1 66864790 YQVLIMQGGZCWEH-AWEZNQCLSA-N 230.355 3.591 30 20 BHED C=C(C)CSCc1ncoc1C(C)C 92335199 YJIVLEINHPWKBS-UHFFFAOYSA-N 211.330 3.607 30 20 BHED C=CCCNCc1cccc(Cl)c1Cl 168549502 PRLJXSVAWGXVER-UHFFFAOYSA-N 230.138 3.659 30 20 BHED C#CCCCNc1ccc(F)c(C(F)(F)F)c1 169041866 MOEMUDNUSKJXHU-UHFFFAOYSA-N 245.219 3.670 30 20 BHED C=CCCCC(=O)N(C)C1CCCCCCC1 177789521 RRNHXYGIDBYWIH-UHFFFAOYSA-N 237.387 3.914 30 20 BHED C=CCCC(=O)N1CCCC2(CCCCC2)CC1 188579446 CMIKOLBYCKTNMQ-UHFFFAOYSA-N 249.398 3.916 30 20 BHED C[C@H](CC#N)N(C)Cc1ccc2ccccc2c1 193528116 LAJCIGRDPLXRHW-CYBMUJFWSA-N 238.334 3.574 30 20 BHED CCCCCCCCNC(=O)[C@@H](C)CC 196917083 VTYKNUDXHPOHIO-LBPRGKRZSA-N 213.365 3.509 30 20 BHED CC[C@@H](C)C[S@@](=O)CCCCC(C)(C)C#N 233836070 JLAQLEUYDIZTOV-WBMJQRKESA-N 243.416 3.501 30 20 BHED Cc1cnc(SCCCCC(C)(C)C#N)nc1 235792812 ZZIXNXPNHSCTHN-UHFFFAOYSA-N 249.383 3.597 30 20 BHED Cc1cccc(CON=Cc2ccc(F)cc2)c1 255398594 SELXRLFLXJZTAR-UHFFFAOYSA-N 243.281 3.685 30 20 BHED CC(C)(C#N)CCOc1cc(Cl)cc(C#N)c1 287525769 MONGDMVYOLPGSR-UHFFFAOYSA-N 248.713 3.530 30 20 BHED C#CCCCCN[C@@H]1CC[C@@H]2CCCC[C@H]2C1 300413408 BTUZGUOQLSNHEY-HRCADAONSA-N 233.399 3.738 30 20 BHED CCC[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 341759934 WOMHNRNWXVNYQI-LRDDRELGSA-N 242.366 3.714 30 20 BHED C=C(CC)CSCc1cccc(C)n1 346560645 IXAXOBYROOFVFO-UHFFFAOYSA-N 207.342 3.589 30 20 BHED C=CC[C@@H](CC)NCc1cc(F)cc(Cl)c1 390452127 BOTBLRVYHAMRLH-CYBMUJFWSA-N 241.737 3.923 30 20 BHED C=CCC(C)(C)C(=O)NC[C@@H]1CCC[C@H](C)C1 429821327 PWIDOLVPAOSNSU-QWHCGFSZSA-N 237.387 3.531 30 20 BHED C=CCCCC(=O)N(C1CC1)[C@H](C)[C@@H](C)CC 480897764 LNXXNDBLORWYDA-QWHCGFSZSA-N 237.387 3.768 30 20 BHED C=CCCCCCN1CCC[C@H]1CSC 488169047 JAWLBNUVYYCODQ-ZDUSSCGKSA-N 227.417 3.560 30 20 BHED C=C[C@H]1CCCCN1C(=O)c1cccc(Cl)c1 488851328 GEKHEXNFYOEIHS-ZDUSSCGKSA-N 249.741 3.521 30 20 BHED C=CC[C@@H](CC)Nc1ncnc2scc(C)c12 505715804 ZFQRHNMNGOKEAA-SNVBAGLBSA-N 247.367 3.766 30 20 BHED C=CCCCCNC(=O)C(C1CCC1)C1CCC1 552453565 ALGNGZPZJZNXCJ-UHFFFAOYSA-N 249.398 3.675 30 20 BHED C=CCC[C@H](C)NCC(C)(C)c1ncccc1C 574369849 QLPFTABZBRIBSE-AWEZNQCLSA-N 246.398 3.612 30 20 BHED C=CC[C@@H](C)[C@H](C)NCCC1(CSC)CC1 595065964 HXQCVYPHSUZTJU-OLZOCXBDSA-N 241.444 3.710 30 20 BHED C[C@H](CCC#N)CN1CCC[C@@H]1C1CCCC1 602448632 JVGRDXZYFDZFTH-UKRRQHHQSA-N 234.387 3.581 30 20 BHED C[C@@H](c1ccc(F)cc1)N1CCC[C@](C)(C#N)C1 612162296 GLFFKQADNXBJDC-SWLSCSKDSA-N 246.329 3.512 30 20 BHED CC(C)=CCC/C(C)=C\C=NNc1cccnn1 735973438 JYERQAZZSFHCPX-BMVNNZEGSA-N 244.342 3.567 30 20 BHED C#CCCCN(C)[C@H](C)c1ccc(C)cc1C 766896065 WESGQUBYTXGTAS-OAHLLOKOSA-N 229.367 3.710 30 20 BHED C#CCCCN1C[C@@H](c2ccccc2C)C[C@@H]1C 766903372 RMMJABCGCZUDBI-HOTGVXAUSA-N 241.378 3.586 30 20 BHED C#CCCCN(C1CC1)[C@@H](C)c1ccccc1 766914331 IYDOZSCUZYUNMJ-AWEZNQCLSA-N 227.351 3.625 30 20 BHED C=C(CC)CSCc1ccc(Cl)nc1 773289541 GVAPKMNPAQKLFX-UHFFFAOYSA-N 227.760 3.934 30 20 BHED C=CC[C@H](C(=O)OC1CCCC1)c1ccccc1 777401995 NLMZOHINFRXRMC-HNNXBMFYSA-N 244.334 3.832 30 20 BHED CC(=NN[C@@H]1CCCC1(C)C)C1CCCC1 782300001 KICBOMKFXBDJFX-CYBMUJFWSA-N 222.376 3.721 30 20 BHED CCC[C@H](C)CC(=O)OCCCC(C)(C)C#N 783322057 OKJLLOVPUARRDW-LBPRGKRZSA-N 239.359 3.686 30 20 BHED CC(C)(C)CCNN=C1CCC(C)(C)C1 783861125 JTLXYUAXUBSKPV-UHFFFAOYSA-N 210.365 3.578 30 20 BHED CC[C@@H](C)NN=Cc1c(Cl)cccc1Cl 790190872 RKVCJTYJDZQPJA-MRVPVSSYSA-N 245.153 3.715 30 20 BHED C=CCCC(CC)=NN[C@H](C)C(C)(C)C 793112101 PFZWAOYMVKZZEN-LLVKDONJSA-N 210.365 3.743 30 20 BHED C[C@@H](NN=Cc1ccccc1Cl)C(C)(C)C 793116868 VBBCPJKFARPCPQ-SNVBAGLBSA-N 238.762 3.698 30 20 BHED FCC[C@H]1CCCC1=NOCc1ccccc1 794888680 RFMDWUGEGSVASS-CYBMUJFWSA-N 235.302 3.719 30 20 BHED C[C@@H]1CC[C@@H](C=NNc2ccc(F)cc2F)C1 800804299 WKTKHAGIGZWVNC-NXEZZACHSA-N 238.281 3.799 30 20 BHED C[C@@H](C=NOCCC1CC1)c1ccccc1 814246491 OYMCUFNCDIBECA-LBPRGKRZSA-N 217.312 3.593 30 20 BHED C=CCC[C@H](CCC)NCCc1ccc(N)cc1 817955796 HZQATBUMNPNDOO-INIZCTEOSA-N 246.398 3.536 30 20 BHED C=C[C@@H](CC)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 826777114 QGHLABMWKHZCRO-KKUMJFAQSA-N 249.398 3.770 30 20 BHED C[C@H](CC(C)(C)C)NCCc1ccc(C#N)cc1 850489948 YPWOEVONALHHFL-CYBMUJFWSA-N 244.382 3.515 30 20 BHED C=CC(C)(C)CC(=O)N1C2CCCC1CCC2 878979437 XOWQNHVNYZRLHW-UHFFFAOYSA-N 235.371 3.522 30 20 BHED CCCCCCCC(=O)NCc1cccc(C)c1 912732526 OASKCXRVYFBLCF-UHFFFAOYSA-N 247.382 3.972 30 20 BHED c1ccc(CNN=C2CCCCCCC2)cc1 916343773 GPFYGDPTQSLTLE-UHFFFAOYSA-N 230.355 3.877 30 20 BHED Cc1ccc(C=NN[C@@H](C)c2ccccc2)s1 920386262 VNVXNWGQJVLPCB-LBPRGKRZSA-N 244.363 3.741 30 20 BHED C=CCC(C)(C)CNCc1cccn1C1CC1 1327952148 NTHZEIBLNRDKIV-UHFFFAOYSA-N 232.371 3.515 30 20 BHED C=C(C)CCC(=O)N1CCC[C@@H]1c1ccsc1 1335722179 DWCZZCFBMTXGMB-CYBMUJFWSA-N 249.379 3.768 30 20 BHED C#Cc1cccc(NCc2cccc(C)c2)c1 19876812 KLXGTHCYDXQZDS-UHFFFAOYSA-N 221.303 3.588 30 20 BHED Cc1ccccc1NCc1ccc(C#N)cc1F 20056223 LGSYGGMQUXQCBI-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CC1CCC(Nc2cccc(OCC#N)c2)CC1 37069495 AYTMIFVRUTZMSH-UHFFFAOYSA-N 244.338 3.580 30 20 BHED CCCC(CCC)NCc1cccc(C#N)c1 37748750 WOGICEGOWHBHAG-UHFFFAOYSA-N 230.355 3.617 30 20 BHED C=CCOc1ccc(CN[C@@H](CC)C(C)C)cc1 42585184 YGUAZNYHVZXZSC-INIZCTEOSA-N 247.382 3.776 30 20 BHED CCCCCSCc1ccc(C#N)cc1 58238960 ZLUCSKYKNUSHMU-UHFFFAOYSA-N 219.353 3.982 30 20 BHED CN(c1ccc(C#N)c(Cl)c1)C1CCCCC1 61850727 JBTATIOAJJBEOE-UHFFFAOYSA-N 248.757 3.981 30 20 BHED C=CCSc1nc(C)c(C)n1CCCC 73810966 VOFQFVAOCAJPML-UHFFFAOYSA-N 224.373 3.578 30 20 BHED C=CCS[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 114757599 YYHYTVHPRYSJSV-LBPRGKRZSA-N 249.379 3.550 30 20 BHED C=CC[C@@H](C)N[C@H]1CCc2ccc(Cl)cc21 129623562 IYNIGZCKYPQGPK-YGRLFVJLSA-N 235.758 3.882 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@@H]1C1CCC1 130445936 KXMUMWWFXLYDKO-OAHLLOKOSA-N 247.382 3.546 30 20 BHED C=C(Cl)CN(C)Cc1cc2ccccc2o1 175309434 VDILCJGHSRMUCO-UHFFFAOYSA-N 235.714 3.617 30 20 BHED CC(C)CCC(=O)O[C@@H](C)c1ccc(C#N)cc1 175753343 VQVOESJSTPPNPP-LBPRGKRZSA-N 245.322 3.599 30 20 BHED C#CCCCCC(=O)N1CCC[C@@H]1[C@@H](C)CCC 180410427 LFSUBXBUNZTJEU-LSDHHAIUSA-N 249.398 3.607 30 20 BHED Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)c(C)c1 193108668 HWBXOHQVUORKRM-KGLIPLIRSA-N 228.339 3.798 30 20 BHED C=C(Cl)CN[C@H]1CCC[C@@H](C(C)C)C1 230997906 DHSPUSMNFAIUGD-NEPJUHHUSA-N 215.768 3.543 30 20 BHED C[C@@H]1CN(c2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 302132648 CGQMMDZBXOPGBF-KCXAZCMYSA-N 240.350 3.573 30 20 BHED C#C[C@H](CC)NCc1csc(Cl)c1Cl 308616404 RUYAIYMAAMJQIB-MRVPVSSYSA-N 248.178 3.556 30 20 BHED Cc1cc(/C=C/c2ccncc2C#N)ccc1F 349109331 MZVVIPPVWIBNRM-DUXPYHPUSA-N 238.265 3.571 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1cc(F)ccc1F 393763516 ZLKNBWCEUFJDGT-ZYHUDNBSSA-N 239.309 3.970 30 20 BHED CCC1(CN[C@@H]2CC[C@H](C#N)C2)CCCCC1 442841840 GYBFUCNDXWEJAF-UONOGXRCSA-N 234.387 3.629 30 20 BHED C=CCC1(NCc2ccncc2F)CCCCC1 449571242 FIJJEGZWIFICIC-UHFFFAOYSA-N 248.345 3.589 30 20 BHED C[C@H](CCC1CC1)Nc1cccc(CC#N)c1 449705966 ZSOPYQYBPUZFPS-GFCCVEGCSA-N 228.339 3.743 30 20 BHED C=CCC1(CNC(=O)C(C)(C)CC)CCCC1 456488498 RGFUZYBRAHYJSN-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCCC[C@H](C)NC(=O)c1ccoc1C(C)C 480617584 RUXDQUCZPCVDQY-LBPRGKRZSA-N 249.354 3.878 30 20 BHED C=CCN(CCC)[C@H](C)c1ccccc1OC 521193552 IKILGSPHRMECPN-CYBMUJFWSA-N 233.355 3.654 30 20 BHED C=CCCCOc1c(C)cccc1Cl 525459982 GJDCBBSMDVOBIG-UHFFFAOYSA-N 210.704 3.993 30 20 BHED Cc1ccc(CN(CCC#N)C(C)(C)C)cc1 528595523 VTXCBOSXFZQFRT-UHFFFAOYSA-N 230.355 3.509 30 20 BHED C=CCC1(C(=O)N2C3CCC2CC3)CCCCC1 569915915 QUGAHQWRKNMAQG-UHFFFAOYSA-N 247.382 3.666 30 20 BHED CC[C@@H](CNc1ccc(C#N)cc1)CC(F)F 594699059 MTOLXZCVUBAUPQ-SNVBAGLBSA-N 238.281 3.652 30 20 BHED C#CCCCCN[C@@H]1CCc2c(Cl)cccc21 752795688 DTOCJSADAXZNLL-OAHLLOKOSA-N 247.769 3.720 30 20 BHED CCCCCCC=NNc1ccccc1C(=O)O 755600286 HYWVTTGKBGLMCU-UHFFFAOYSA-N 248.326 3.753 30 20 BHED C[C@H]1CC(=NNC2CC2)C[C@H](c2ccccc2)C1 758126752 HWIQEEWLWAWKPP-TZMCWYRMSA-N 242.366 3.698 30 20 BHED C#CCCCN[C@H](C)c1cc(C)c(F)c(C)c1 766232914 IYPBOCVCMRTHTG-CYBMUJFWSA-N 233.330 3.507 30 20 BHED CCCCCCCCN1CCC[C@@H](OC)CC1 783018848 SICPMWDXHVGMCJ-OAHLLOKOSA-N 241.419 3.848 30 20 BHED C#CCC1(C(=O)N[C@@H](C)CC(C)C)CCCCC1 788234685 NWYNWHWHFZIHKG-AWEZNQCLSA-N 249.398 3.511 30 20 BHED CC(=NNc1ncccc1F)C1CCCCC1 794981587 YMBCSWUVFUIWTF-UHFFFAOYSA-N 235.306 3.589 30 20 BHED CC(=NOCC(C)C)c1nccc2ccccc12 811645911 ZIBZGCIFOQHNKZ-UHFFFAOYSA-N 242.322 3.631 30 20 BHED CC(=NOC1CCC1)c1cc2ccccc2o1 812235136 MPPCKUNXEWAKTI-UHFFFAOYSA-N 229.279 3.726 30 20 BHED CO[C@](C)(C=NNc1cc(C)ccc1C)C1CC1 814753666 UTGZSQIWZGVDPH-OAHLLOKOSA-N 246.354 3.516 30 20 BHED CCC(=NOCc1ccccc1OC)[C@@H]1C[C@H]1C 841636339 KNPWOXRJTPHBFB-DGCLKSJQSA-N 247.338 3.634 30 20 BHED C[C@H]1CCCCC1=NNc1ccc(Cl)cn1 853437499 AKWMUFUQAWLFKW-VIFPVBQESA-N 237.734 3.713 30 20 BHED C=C[C@H](COC)N[C@H](CCC)C1CCCCC1 1320592107 NEEYETBCZTVWCI-HUUCEWRRSA-N 239.403 3.526 30 20 BHED C=C[C@@](C)(CC)c1nnc(CC(C)(C)C)o1 1327355068 RREORIPCKBRMNL-ZDUSSCGKSA-N 222.332 3.512 30 20 BHED CCCCCCCCC(=O)NC/C=C/C1CC1 1327904765 WPUCYDBXXIZRQQ-CMDGGOBGSA-N 237.387 3.819 30 20 BHED CC(C)CC[C@H]1CC[C@H](NCC2(CC#N)CC2)C1 1656175091 ZXSVTYCODADUMH-GJZGRUSLSA-N 248.414 3.875 30 20 BHED Cc1cc(CN(C)CCC(C)(C)C)ccc1C#N 1660115701 QVUOUZAVXJOIGY-UHFFFAOYSA-N 244.382 3.735 30 20 BHED C=C(Br)CN(CC)CC(CC)CC 57754172 UHMHYGLPJVAXHI-UHFFFAOYSA-N 248.208 3.653 30 20 BHED O=C(/C=C\c1ccc(Cl)cc1)c1cccnc1 96481765 FSCXVFQUEGRJLW-YVMONPNESA-N 243.693 3.631 30 20 BHED C=C(CNCCC(C)(C)C)c1ccccc1 130009210 NCWSVEGSQKURKW-UHFFFAOYSA-N 217.356 3.726 30 20 BHED CC#CCCN[C@H]1CCCC[C@H]1c1ccccc1 158350636 HJTLVFUEBHZWCV-IRXDYDNUSA-N 241.378 3.716 30 20 BHED C=CCCN[C@H](c1ccc(C)cc1)C1CC1 168550959 DBYLBRRFDGAUEZ-OAHLLOKOSA-N 215.340 3.612 30 20 BHED CCCC1(CN[C@H](C)c2cccc(C#N)c2)CC1 182016503 PNVQQWXIJIXJHY-CYBMUJFWSA-N 242.366 3.789 30 20 BHED C#CCC(C)(C)C(=O)NCC1(C)CCCCCC1 186009854 JMYILXVTFXEWBV-UHFFFAOYSA-N 249.398 3.513 30 20 BHED C=CC[C@@H](CC)NC(=O)c1cc2ccccc2o1 281229401 DVLWXFBMYLXEGE-GFCCVEGCSA-N 243.306 3.517 30 20 BHED C=C(C)C(C)(C)C(=O)N1C[C@@H](C)CCC[C@@H]1C 425514984 RLGAAYZVCQVNNF-STQMWFEESA-N 237.387 3.626 30 20 BHED C=CCC[C@H](CCC)NC[C@](C)(OC)C1CC1 462820806 ZHUYOSCNXZNSIT-GJZGRUSLSA-N 239.403 3.526 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@@H]1CCC[C@H]1C 469815457 FGFJXZZZVMZZAR-RDBSUJKOSA-N 237.387 3.674 30 20 BHED C=CCCNc1ccc(F)cc1OC(C)(C)C 498405761 IDXVKHXRIHGLKJ-UHFFFAOYSA-N 237.318 3.991 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)c1ccnc(O)c1 560140067 VLYHPHOXXLQCDP-QWHCGFSZSA-N 248.370 3.573 30 20 BHED C=CCCCCN(C)C[C@@H](C)c1nccs1 572353110 FVUOACNMNPWWKM-GFCCVEGCSA-N 238.400 3.535 30 20 BHED C=CCCc1nc([C@@H]2CCCC[C@@H]2CC)no1 580729300 YQRJLSBACAIRBY-NWDGAFQWSA-N 234.343 3.872 30 20 BHED C[C@H](CCC#N)CNC1(c2ccccc2)CCC1 602533902 QNSKIGBLCXOMJX-CQSZACIVSA-N 242.366 3.595 30 20 BHED C[C@@H](CCC#N)CNCCCCC(C)(C)C 602537544 FJEHOBSYOPEPEH-ZDUSSCGKSA-N 224.392 3.732 30 20 BHED C=CCCCCCN(C)CCOc1ccccc1 606902276 PZPOYONHNVRLIB-UHFFFAOYSA-N 247.382 3.744 30 20 BHED C[C@H](c1ccccc1F)N1CCC[C@](C)(C#N)C1 612159527 CHWOHKPVVBDOHC-IUODEOHRSA-N 246.329 3.512 30 20 BHED C=CCCCOC(=O)C(C)(C)c1ccccc1C 735531911 HUMSZJRNNPOQRV-UHFFFAOYSA-N 246.350 3.782 30 20 BHED CCC(=NNCc1ccccc1Cl)C1CC1 741163118 NKBDONVKHQAXRT-UHFFFAOYSA-N 236.746 3.606 30 20 BHED CC(C)CON=C1CCC[C@@H]1c1ccccc1 749625581 FOGSBBOCETYKRA-CQSZACIVSA-N 231.339 3.983 30 20 BHED CCCCNN=Cc1cc2ccccc2s1 758372608 OZDJHUSCWWGPGZ-UHFFFAOYSA-N 232.352 3.625 30 20 BHED C#CCCCON=C(C)c1cc2ccccc2o1 766742783 BROPAGQOHOFXLH-UHFFFAOYSA-N 241.290 3.587 30 20 BHED CCON=C(C)c1ccc(Cl)c(Cl)c1 767461541 CPWVAWOYPBWDJY-UHFFFAOYSA-N 232.110 3.754 30 20 BHED CCSc1cccc(C=NNC2CCCC2)c1 769781360 GGGOACHNDNFOPW-UHFFFAOYSA-N 248.395 3.665 30 20 BHED CCC(CC)CNN=C1CCCCCC1 774478401 RFCAGMOITSPMFI-UHFFFAOYSA-N 210.365 3.722 30 20 BHED CC1(C)CCC(=NNCCCc2ccccc2)C1 783844981 CIFKALSBGKRQTA-UHFFFAOYSA-N 244.382 3.775 30 20 BHED C[C@@H]1CC/C(=C\C(=O)OCCCC(C)(C)C#N)C1 784071163 OCNUAVZXJZJFCE-GMCKNXKJSA-N 249.354 3.606 30 20 BHED CCCC[C@@H]1CCCC1=NN[C@H](C)CC 790189566 PAJFVJKGKFSUMA-VXGBXAGGSA-N 210.365 3.721 30 20 BHED C#CCCCN[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 792998806 CGSZYSZYIANNHC-OLZOCXBDSA-N 249.785 3.835 30 20 BHED FCC[C@@H]1CCCC1=NNc1ccccc1 794856963 UKZIJAZRONMADW-NSHDSACASA-N 220.291 3.614 30 20 BHED Cc1cc(C(=O)/C=C/c2ccc(F)cc2)oc1C 799897966 UMIWYGWQJNOITF-VMPITWQZSA-N 244.265 3.932 30 20 BHED CC[C@H]1CCC1=NNc1ccc(Cl)cc1 807941939 AULUTNLIJUZAPJ-VIFPVBQESA-N 222.719 3.928 30 20 BHED CC[C@H]1CCC1=NNc1ccc(F)cc1C 807979049 LUWKDIGLUQEZFI-JTQLQIEISA-N 220.291 3.722 30 20 BHED CC(C)[C@H]1CC(=NN[C@H](C)C(C)(C)C)CS1 814938533 NLSPHYBXMPMKKQ-ZYHUDNBSSA-N 242.432 3.528 30 20 BHED C=CCON=C1CCC[C@@H]1c1ccc(F)cc1 835015286 HJBZGLMFXJFIAK-CYBMUJFWSA-N 233.286 3.652 30 20 BHED CCC[C@@H](CC(C)C)C(=O)O[C@H](CC)CC#N 835341598 WGUKOEZRMFAWFK-QWHCGFSZSA-N 239.359 3.684 30 20 BHED C=CC(C)(C)CC(=O)N1CC[C@H](C2CCCC2)C1 880325613 AMUWCHBBWVQDEJ-AWEZNQCLSA-N 249.398 3.627 30 20 BHED C=C1CCC(C(=O)N(C)c2ccccc2C)CC1 893074449 BCOKWFZSFAJGGP-UHFFFAOYSA-N 243.350 3.704 30 20 BHED C=C(C)CCN[C@H](C)c1cc2ccccc2[nH]1 926517771 FFQFMXRJWFLUPH-GFCCVEGCSA-N 228.339 3.785 30 20 BHED C=C[C@H](CC)CC(=O)N1CC[C@@H](C)C2(CCC2)C1 935210490 JHYCCEIULKXUIC-ZIAGYGMSSA-N 249.398 3.627 30 20 BHED CCOCc1ccc(NC[C@@H](C)CCC#N)cc1 1349599824 OUSKROFONLOZAD-ZDUSSCGKSA-N 246.354 3.575 30 20 BHED CC[C@@H]1CCC[C@@H](CNCC(C)(C)CC#N)C1 1560500249 HQUOAEGENNHDJL-ZIAGYGMSSA-N 236.403 3.732 30 20 BHED CCC[C@@H](C)Nc1ccc(C#N)c(Cl)c1 37393186 ROELGIQEQDPJHA-SECBINFHSA-N 222.719 3.812 30 20 BHED C=CCN(CC=C)Cc1ccc(Cl)s1 58013811 YHVIBSOKILZHTN-UHFFFAOYSA-N 227.760 3.576 30 20 BHED CCC[C@H](CC)Nc1ccc(F)cc1C#N 82516496 OJUFQUTZMNOXPU-LBPRGKRZSA-N 220.291 3.688 30 20 BHED C[C@@H]1CCC[C@H](NCc2cc(C#N)cs2)[C@@H]1C 93492017 VTIXWKTXODRFRI-GYSYKLTISA-N 248.395 3.534 30 20 BHED CCCCCCCNCc1cccnc1Cl 106224889 UUNAZOOYGZDEJQ-UHFFFAOYSA-N 240.778 3.795 30 20 BHED C=CC[C@H](C)N[C@@H]1CCc2c(Cl)cccc21 125929955 OSGIXASLMYESAV-IINYFYTJSA-N 235.758 3.882 30 20 BHED CC[C@@H]1CCCC[C@@H]1Nc1nccc(C)c1C#N 135067778 KRJLCKFPXKYIGG-OCCSQVGLSA-N 243.354 3.642 30 20 BHED CCCCC[C@H](C)NCc1ccc(C#N)s1 135494528 GARWOEWAZKKFFR-NSHDSACASA-N 236.384 3.678 30 20 BHED C=CCCCNc1cccc(NC(=O)CCC)c1 157158877 WTPLVBZZGJYTLB-UHFFFAOYSA-N 246.354 3.803 30 20 BHED C=CCC(CC=C)C(=O)N1CC[C@H](C)C[C@@H](C)C1 157855386 ITPWSWHDEPTTLH-UONOGXRCSA-N 249.398 3.649 30 20 BHED C#CCCCC(=O)N[C@@H](C)CCC1CCCCC1 192125137 VNJUJGBGGCRRKW-AWEZNQCLSA-N 249.398 3.655 30 20 BHED C#CCCCN[C@@H](C)c1ccc(C(C)C)cc1 224302104 PHAJEBUNJIGSFL-AWEZNQCLSA-N 229.367 3.874 30 20 BHED CC[C@@H]1CCC[C@@H](NCC(C)(C)CCC#N)C1 229696814 BYAIYEWEUHYLGD-ZIAGYGMSSA-N 236.403 3.875 30 20 BHED CC[C@H](C)CSc1ccc(Cl)c(C#N)n1 301605869 MQVBYROFQVKRHA-QMMMGPOBSA-N 240.759 3.745 30 20 BHED C=CCC[C@H](C)NC[C@H](SC)C(C)(C)C 309081248 PXOQWMSLJNHTKO-RYUDHWBXSA-N 229.433 3.708 30 20 BHED C=C(CC)CN[C@H](C)c1ccc(C)c(C)c1 309820974 WINDROFOIKAFAB-CQSZACIVSA-N 217.356 3.920 30 20 BHED C=CCN1CCCC[C@@H]1c1nc2ccccc2o1 335519010 KPMXRPVHJWIJDA-CYBMUJFWSA-N 242.322 3.541 30 20 BHED CC(C)(C#N)CCN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 394195900 MAKYZQQDEYOTRZ-XJKCOSOUSA-N 248.414 3.731 30 20 BHED C=CCC1(C(=O)N2CCC[C@H](C)[C@@H]2C)CCCC1 410515682 QFSOROFKCQMXFT-KBPBESRZSA-N 249.398 3.770 30 20 BHED C=CCC1(NC(=O)[C@]23CCC[C@H]2C3)CCCCC1 421554042 MRMJINHWXMLXNC-BBRMVZONSA-N 247.382 3.572 30 20 BHED CC(C)=CCC[C@@H](C)Nc1ccc(C#N)nc1 450674577 NJJJROXCSVSECM-GFCCVEGCSA-N 229.327 3.500 30 20 BHED N#C[C@@H](SCC1CC1)C1CCCCC1 460874490 PCBLHFBDHZBWLK-GFCCVEGCSA-N 209.358 3.602 30 20 BHED C=CCCCCNC(=O)N(C)[C@H](C)CCCC 460889030 IBAQNHHZHTWRRD-CYBMUJFWSA-N 240.391 3.563 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@@H](CCC)C(C)C 537317620 KAXBTMDBDYGBPY-KGLIPLIRSA-N 239.403 3.920 30 20 BHED C=CCC(C)(C)c1noc(-c2ccc(C)cc2)n1 556363596 ZGJPMIKNCQDJIV-UHFFFAOYSA-N 242.322 3.899 30 20 BHED C[C@@H](CCC#N)CN(Cc1ccccc1)C1CC1 602434515 FSHKWIMVFSDFLN-AWEZNQCLSA-N 242.366 3.591 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2CC)C1 617779365 ZPPRYRAGFDEUCB-ILXRZTDVSA-N 249.398 3.627 30 20 BHED C=C(C)CCNC(=O)CC(C1CCC1)C1CCC1 627622158 ZHROSNFEKZWONT-UHFFFAOYSA-N 249.398 3.675 30 20 BHED C=C(C)CN(C)C(=O)c1cccc(C(C)(C)C)c1 653740959 PBGJJMLBEUMAAI-UHFFFAOYSA-N 245.366 3.632 30 20 BHED C[C@H]1CCCC1=NNc1ccc(Cl)cc1 729140768 NNYLOMCOJZWDBP-VIFPVBQESA-N 222.719 3.928 30 20 BHED C=C(Cl)CN1C[C@@H](c2ccccc2C)C[C@H]1C 738876574 KSJALVAOHSINNV-KGLIPLIRSA-N 249.785 3.925 30 20 BHED C[C@@H]1CCC[C@@H](C=NOCCC(F)(F)F)C1 777459323 ILTMIPHUECWXAR-NXEZZACHSA-N 237.265 3.768 30 20 BHED C#CCCCN1CCC[C@H]1/C=C\c1ccccc1 780400209 SCYDZKHDFFORGV-QOHRORDFSA-N 239.362 3.578 30 20 BHED C[C@@H]1CC(=NNC2CCCCC2)C[C@H](C)C1 786039883 ILOZNAVZFHULCS-TXEJJXNPSA-N 222.376 3.721 30 20 BHED C=C(C)CNc1cccc(-c2ncco2)c1C 793891927 OYWIRHKCBDOCCG-UHFFFAOYSA-N 228.295 3.638 30 20 BHED CC[C@H]1CCC1=NNc1c(C)cccc1F 807985388 GFQKEXKSOATQEG-JTQLQIEISA-N 220.291 3.722 30 20 BHED CCCCCCCC(=O)OCc1cccnc1C 810885459 GBCIIZOGILDVBO-UHFFFAOYSA-N 249.354 3.794 30 20 BHED Cc1cc(C)c(NN=C2CCS[C@@H]2C)c(C)c1 814861013 XGXLSYCAXDAHBT-GFCCVEGCSA-N 248.395 3.905 30 20 BHED C=CCC(F)(F)C(=O)N([C@H](C)CC)[C@H](C)CC 839319267 SZFQWNUKHYXCNM-GHMZBOCLSA-N 247.329 3.623 30 20 BHED Cc1ccc(C=NNc2ccc(Cl)cc2)o1 916246666 GSGAEIKINYBVCR-UHFFFAOYSA-N 234.686 3.687 30 20 BHED CC(C)CON=C1CCC(C(F)(F)F)CC1 1116628346 MQYJJGMHRVAKJK-UHFFFAOYSA-N 237.265 3.768 30 20 BHED N#Cc1ccc(COc2ccccc2Cl)s1 1188192760 NVOUWNADJBXIJW-UHFFFAOYSA-N 249.722 3.852 30 20 BHED C=C[C@H](COC)N[C@H](C)CCC1CCCCC1 1255019872 UYOVATXEEDOECM-UKRRQHHQSA-N 239.403 3.526 30 20 BHED CCC[C@@H](C)OC(=O)CC1(C#N)CCCCC1 1261598098 PODXUXNNMTUGPC-GFCCVEGCSA-N 237.343 3.582 30 20 BHED C[C@H](N[C@@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 19945260 BPGSJKPPVGTDEW-HEHGZKQESA-N 242.366 3.788 30 20 BHED C=C(C)CNc1cc(Cl)ccc1Cl 41571893 WHNRXFHHVLCNSX-UHFFFAOYSA-N 216.111 3.981 30 20 BHED C=CCCN1CC[C@@H](CSc2ccccc2)C1 75964035 VTFUNGNTFQALRL-CQSZACIVSA-N 247.407 3.677 30 20 BHED CC[C@H](NCC1(CC#N)CC1)C1CCCCC1 88249873 HTRSBOGIPFISLI-AWEZNQCLSA-N 234.387 3.629 30 20 BHED CC(C)Nc1ccccc1SCCC#N 88533376 BWOUSDPKDSLQLH-UHFFFAOYSA-N 220.341 3.513 30 20 BHED CCCCCCCC(=O)N(CC)c1ccncc1 114102739 YYYGSVRAHZFSKY-UHFFFAOYSA-N 248.370 3.795 30 20 BHED C=CCCC[C@@H](C)NC(=O)C1CCCCCC1 182652206 SSOBIAHLNCFOHB-CYBMUJFWSA-N 237.387 3.818 30 20 BHED CSc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 185724132 MCIKVNWSMDRYGV-DGCLKSJQSA-N 246.379 3.903 30 20 BHED CC#CCCCC(=O)Nc1ccsc1Cl 186951551 XTAVMVRDQTYZQK-UHFFFAOYSA-N 241.743 3.534 30 20 BHED C=CCC[C@@H](CC)NCCC1CC(OCC)C1 189258094 GQYFOFUAOJFQOI-SHARSMKWSA-N 239.403 3.526 30 20 BHED C#CCCCC(=O)Nc1cccc2ccccc12 192035762 JKUKOIZDMDINFU-UHFFFAOYSA-N 237.302 3.582 30 20 BHED C=CCCCC(=O)Nc1ccc2ccoc2c1 343969290 VGUPEEGGXKWNMM-UHFFFAOYSA-N 229.279 3.728 30 20 BHED C#CCCCN[C@@H](C)CCCCCC=C 380233474 LWFDALQPCCXJTH-AWEZNQCLSA-N 207.361 3.514 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccc(OC)cc1 384921323 GMQVIFWBXFQURC-GFCCVEGCSA-N 233.355 3.558 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1cccc(C)c1F 398167166 XVYFBWKTICOTQN-GFCCVEGCSA-N 249.329 3.609 30 20 BHED C=CCCc1noc(/C=C\c2ccc(CC)o2)n1 453235494 MBJBAWBCUDPXRR-KTKRTIGZSA-N 244.294 3.514 30 20 BHED C=CCCCC(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C 482689904 HSJGLXLMERLDAK-RDBSUJKOSA-N 237.387 3.531 30 20 BHED C=CCC(C)(C)CNC(=O)C[C@@H](C)CCC 489861208 UJVQSVPVFOJPAY-LBPRGKRZSA-N 225.376 3.531 30 20 BHED C=CCNC(=O)[C@@H](CC1CCCCC1)C(C)C 522363196 XZMVLNCVDNAUJC-AWEZNQCLSA-N 237.387 3.531 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@@H]1CC[C@@H](C)C1 537237898 NHHWGPPXIFEWPX-HZSPNIEDSA-N 237.387 3.674 30 20 BHED C=CCCC[C@@H](C)NC(=O)CC1CCCCC1 539440564 KLBGZIFEMMQBOH-CYBMUJFWSA-N 237.387 3.818 30 20 BHED C=CCCSCc1c(F)cccc1F 547703339 PGPIDMKWQJHTEJ-UHFFFAOYSA-N 214.280 3.774 30 20 BHED CC(C)C[C@H](C)CNCC1CCC(C#N)CC1 558407114 DERIXNDZUGFOSX-NFOMZHRRSA-N 236.403 3.588 30 20 BHED C=CCCCSc1nc2ccccc2n1C 578796694 OUFJAUCKVUFBGP-UHFFFAOYSA-N 232.352 3.632 30 20 BHED CC1(C)CCC[C@H](CN2CCC[C@@H](CC#N)C2)C1 597177918 SEZUWJZVWAISIE-GJZGRUSLSA-N 248.414 3.828 30 20 BHED Cc1ccc2c(c1)CC[C@H]2NC[C@H](C)CCC#N 602519996 COQDLHZQBASKDM-CZUORRHYSA-N 242.366 3.512 30 20 BHED C=CCCCCCN(C)C(=O)[C@H](C)c1ccco1 607507763 XWMJNGIBQIYAOG-CYBMUJFWSA-N 249.354 3.588 30 20 BHED N#Cc1ccc(S[C@H]2C=CCCC2)c(F)c1 610219675 FVZIOLJELWLLDI-NSHDSACASA-N 233.311 3.898 30 20 BHED Cc1ccc(C=NNc2ccccc2F)cc1F 731486635 RLPHFBLXTIAZKI-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C=C(C)CNc1ccc(Oc2ccccn2)cc1 733793819 ZXKMPJGHALATFK-UHFFFAOYSA-N 240.306 3.862 30 20 BHED C#CC(C)(C)NC(=O)C[C@@H](C)CCCCCC 733978743 UNTYCPIRIGGONU-ZDUSSCGKSA-N 237.387 3.511 30 20 BHED C=CCN(C(=O)c1cc2occc2s1)C(C)C 736001583 YWRQYGCACAGPOE-UHFFFAOYSA-N 249.335 3.531 30 20 BHED C=CCCC(=O)OCCCCc1ccccc1 768043168 VNUKHRVUWVJYTM-UHFFFAOYSA-N 232.323 3.519 30 20 BHED CC(C)[C@H](C)C(=O)OCCCCC(C)(C)C#N 768697306 MOUYQNMQTQQCQB-LBPRGKRZSA-N 239.359 3.542 30 20 BHED CCC#C[C@H](C)N[C@@H](CC)c1ccccc1OC 775082339 XAISXKRTEHNAJR-ZFWWWQNUSA-N 245.366 3.538 30 20 BHED CCC(C[C@@H](C)CC)=NNc1ccnc(F)c1 781126442 BGTZNIZIEJOTRO-JTQLQIEISA-N 237.322 3.835 30 20 BHED CCCCC[C@@](C)(CC)C(=O)OCCCC#N 781434835 CPWRHMAIVJVBPO-CQSZACIVSA-N 239.359 3.830 30 20 BHED C=CCCCCC[C@H](C)NCc1cc(CC)[nH]n1 793543852 WPRMXUSASJXZMD-ZDUSSCGKSA-N 249.402 3.587 30 20 BHED CCc1ccccc1NN=C1CC[C@H]1CC 807962925 KBMSCWGWJFZZKW-GFCCVEGCSA-N 216.328 3.837 30 20 BHED CCCCCCCNc1cccc2c1COC2=O 809201567 ZWAHUJCXXWNMOL-UHFFFAOYSA-N 247.338 3.739 30 20 BHED C=CCCCCCCCNCc1ccncc1 810160291 BCTCMKHOBSDZHQ-UHFFFAOYSA-N 232.371 3.698 30 20 BHED CC1=CC(=NOC/C=C/Cl)CC(C)(C)C1 811668800 KEBOZHJKCZZZJB-HQYPYZBASA-N 227.735 3.878 30 20 BHED Fc1ccccc1NN=CC1CCCCC1 812458601 HCIPUPIRSOWYEJ-UHFFFAOYSA-N 220.291 3.804 30 20 BHED CCOc1ccc(NN=C(C)c2ccoc2)cc1 814985267 ZGGFEKJFXAOLRW-UHFFFAOYSA-N 244.294 3.514 30 20 BHED CCC(C[C@H](C)CC)=NN[C@H](C)C(F)(F)F 834995994 MZTNDBPFELKNQX-RKDXNWHRSA-N 238.297 3.729 30 20 BHED CCCCC[C@H](NC(=O)C#CC1CC1)C(C)(C)C 837422251 SGRRTRFQQHAEPC-AWEZNQCLSA-N 249.398 3.511 30 20 BHED FC(F)C1CCC(=NOCC2CCC2)CC1 853440964 MBDWAXNJXNDWIF-UHFFFAOYSA-N 231.286 3.614 30 20 BHED CCCCCCCC(=O)N[C@H](CC)C1CC1 855860186 PAHBXGNBTYWDIX-CYBMUJFWSA-N 225.376 3.652 30 20 BHED CCCCCCCCCC(=O)N1C[C@H]2C[C@H]2C1 862551607 SVGCXWGUOAECBU-OKILXGFUSA-N 237.387 3.605 30 20 BHED C=C(CC)C(=O)N[C@H](CC)c1ccc(C)cc1 1123538012 FIXRXWHPWUMXGE-CQSZACIVSA-N 231.339 3.529 30 20 BHED C=CCC[C@H]1CCCN1C(=O)C1CCC=CCC1 1339151242 BGPCCSZXZWQWCA-HNNXBMFYSA-N 247.382 3.690 30 20 BHED C[C@H](NCCC(C)(C)C)c1ccc(C#N)cc1 37749445 OSORZMSCUBMXGF-LBPRGKRZSA-N 230.355 3.645 30 20 BHED CC[C@@H](C)[C@H](C)Nc1ccc(C#N)cc1F 49094506 FVNFGKLBIWITOV-ZJUUUORDSA-N 220.291 3.544 30 20 BHED C[C@@H](c1ccccc1)N(CC#N)C1CCCC1 80214994 IBWGUABHDUKIHL-ZDUSSCGKSA-N 228.339 3.516 30 20 BHED CC(C)(C#N)CCCSc1ccccn1 87609102 GGDVAAONFGYKQQ-UHFFFAOYSA-N 220.341 3.504 30 20 BHED C[C@@H]1CCC[C@H]1N[C@@H](CCC#N)c1ccccc1 90665579 OLDCQUSTAXRXHC-BMFZPTHFSA-N 242.366 3.810 30 20 BHED C=CCCC(=O)Nc1ccc2nc(C)sc2c1 102216188 SGEBHWBVMVSMGD-UHFFFAOYSA-N 246.335 3.509 30 20 BHED C=C[C@@H](C)N[C@@H](CC)c1ccc(Cl)cc1 136204603 GTDLZRPOCAZNSL-MFKMUULPSA-N 223.747 3.955 30 20 BHED C=CCCNC(=O)[C@H](c1ccccc1)[C@@H](C)CC 162260524 WOJKODZOVJCJKQ-ZFWWWQNUSA-N 245.366 3.509 30 20 BHED C=CCC[C@H](CCC)NCc1ccoc1 166766750 NTRKVHLKZAHXFF-ZDUSSCGKSA-N 207.317 3.504 30 20 BHED N#CCSCCCSc1ccc(F)cc1 174000388 YBOJHMFCCDOXNR-UHFFFAOYSA-N 241.356 3.565 30 20 BHED C[C@H](CCC#N)SCc1ccccc1 188210441 ZZGAAPPWDFYMRN-LLVKDONJSA-N 205.326 3.612 30 20 BHED C#CCCCCN[C@@H](C)c1cc(C)cc(C)c1 222285892 PDZYJRDAHLTZAA-HNNXBMFYSA-N 229.367 3.758 30 20 BHED COc1c(C)ccc(NCCC(C)(C)C#N)c1C 288777295 VTEDBKITUQXOQN-UHFFFAOYSA-N 246.354 3.664 30 20 BHED C=C(C)CCc1noc(-c2ccsc2C)n1 296684036 GRLDAJXEFRPNQT-UHFFFAOYSA-N 234.324 3.615 30 20 BHED C=CCSc1cc(Cl)ccc1F 307441683 ATFJWFXULOYZDU-UHFFFAOYSA-N 202.681 3.757 30 20 BHED CC1(C)CCC[C@@H]1Nc1cccc(CC#N)c1 313425661 KMSZCDJNYLHMHA-AWEZNQCLSA-N 228.339 3.743 30 20 BHED C=C(Cl)CN[C@@H](C)c1cccc(C2CC2)c1 378792666 NXBZCACSYSFYDK-NSHDSACASA-N 235.758 3.967 30 20 BHED C=CCC[C@@H](NCC(C)(F)F)c1ccco1 382285050 JRLRWJXSOXNJDN-SNVBAGLBSA-N 229.270 3.532 30 20 BHED C=CCCCC[C@@H](C)NC[C@@](C)(OC)C1CC1 449336045 LQONIMPHBRDIIE-UKRRQHHQSA-N 239.403 3.526 30 20 BHED C=CCOCCCN(C)[C@@H](C)c1ccc(C)cc1 470720502 VQWDCILJHCLMKG-HNNXBMFYSA-N 247.382 3.581 30 20 BHED C=C[C@@H]1CCCCN1Cc1ccc(F)c(F)c1 489407426 UJOIDVWNSGCPNO-GFCCVEGCSA-N 237.293 3.505 30 20 BHED CCC(C)(C)[C@@H]1CCCN1CCC(C)(C)C#N 537362188 CVCAKPQLRKMFLQ-ZDUSSCGKSA-N 236.403 3.827 30 20 BHED C=C(C)CCN1CCc2cccc(F)c2[C@H]1C 560469073 TZETZKFDAJQUFN-GFCCVEGCSA-N 233.330 3.711 30 20 BHED COc1ccc(SCC(C)(C)CC#N)cc1 584792724 PIOLXZQPHRMLJH-UHFFFAOYSA-N 235.352 3.727 30 20 BHED CCC[C@H](N[C@H](C#N)c1ccccc1)C1CCC1 595535235 VUOLIMVGLRBQBL-JKSUJKDBSA-N 242.366 3.810 30 20 BHED C[C@H](S[C@@H](C#N)C1CC1)c1ccc(F)cc1 601077274 ZBTYYMWYRRXQHF-ZANVPECISA-N 235.327 3.922 30 20 BHED C=CCCN(C)[C@H]1CCCc2ccccc21 606896525 YEXXIWCDNOOWIC-HNNXBMFYSA-N 215.340 3.572 30 20 BHED C=CCc1ccccc1OCc1ncc(CC)o1 608051114 BRTFQSPHEOJARC-UHFFFAOYSA-N 243.306 3.545 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 617781027 CHASYLQRTYJCME-ZIAGYGMSSA-N 249.398 3.627 30 20 BHED CC(=NNC1CCCC1)c1cccc(Cl)c1 727652004 APESKVLMVSKWEN-UHFFFAOYSA-N 236.746 3.596 30 20 BHED CCC(Cc1ccccc1)=NNc1ccccn1 745806226 JXVSDVGJWJXURV-UHFFFAOYSA-N 239.322 3.502 30 20 BHED CC1(C)CCCC1=NNc1ncccc1Cl 749859221 SOWFANKMHCJNQO-UHFFFAOYSA-N 237.734 3.713 30 20 BHED Cc1cc(CNC[C@@H](C)C(C)(C)C)ccc1C#N 767692632 WXPPHAGBVJIPIV-CYBMUJFWSA-N 244.382 3.639 30 20 BHED O=C(/C=C/c1cncs1)c1ccccc1Cl 767715371 DDNIXANGTDGOMK-AATRIKPKSA-N 249.722 3.693 30 20 BHED C[C@@]1(C=NNc2ccccc2F)CCCS1 792957645 DTRDYOBJFLNOPG-LBPRGKRZSA-N 238.331 3.509 30 20 BHED CC[C@H](C)NN=C1CCC[C@@H](C(C)C)C1 794533838 CFPFJCFVNQWXSP-NWDGAFQWSA-N 210.365 3.577 30 20 BHED C=CCNN=CC[C@@H](C)CCC=C(C)C 794999645 OKCNYQFEKDDOPQ-ZDUSSCGKSA-N 208.349 3.520 30 20 BHED CC1(C)CCCCC1=NNc1cccc(F)n1 795009797 KMHMCBAENVXKRD-UHFFFAOYSA-N 235.306 3.589 30 20 BHED CCC(=NOC1CCCCC1)c1ccco1 814909600 JDJBNEXBQQWTRF-UHFFFAOYSA-N 221.300 3.743 30 20 BHED c1ccc(C2CC(=NNCC3CCCC3)C2)cc1 814933458 OPTBFBVCOIGUSG-UHFFFAOYSA-N 242.366 3.700 30 20 BHED C=C(Cl)CSCc1cc(C2CC2)no1 853784004 UQXZRSMCMIBWMN-UHFFFAOYSA-N 229.732 3.538 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1c[nH]c2ccccc12 888113619 KJTGVKGVGFWHDW-HNNXBMFYSA-N 242.322 3.709 30 20 BHED CS[C@@H]1CCCC(=NNC2CCCCC2)C1 901226563 CIXOLTYJTBETBO-CYBMUJFWSA-N 240.416 3.570 30 20 BHED CCc1ccccc1NN=Cc1ccccc1 915051755 QCQZYGUSCZVLLR-UHFFFAOYSA-N 224.307 3.695 30 20 BHED COc1cc(C)c(C(C)=NOC(C)(C)C)cc1C 1254525169 VXZGCJXBMKWCHT-UHFFFAOYSA-N 249.354 3.851 30 20 BHED CC(C)C[C@@H](C)CN1CCc2ccc(C#N)cc21 1473349617 IAIKEIRDMZFRNJ-CYBMUJFWSA-N 242.366 3.603 30 20 BHED CCCCC[C@@H](C)Nc1cccc(OCC#N)c1 37069413 RXEZLCNPFPRCOP-CYBMUJFWSA-N 246.354 3.970 30 20 BHED Cc1cc(C)cc(CN(CCC#N)CC(C)C)c1 49800846 IITXVVUDSQSZIP-UHFFFAOYSA-N 244.382 3.675 30 20 BHED C=C(C)CN(C)CCCCc1ccccc1 52037379 JBAZFRNSMYWSPW-UHFFFAOYSA-N 217.356 3.517 30 20 BHED Cc1c(CSC(C)C)cccc1N[C@@H](C)C#N 80475859 DJINRVPTXNKMRM-NSHDSACASA-N 248.395 3.961 30 20 BHED C[C@H](NCCCC(C)(C)C#N)c1ccccc1 87596929 ZAJRNGISLAWHQQ-ZDUSSCGKSA-N 230.355 3.667 30 20 BHED CC1(C)CCCN(c2ccc(F)cc2C#N)CC1 87658075 QLTKLVIXQCRRCZ-UHFFFAOYSA-N 246.329 3.714 30 20 BHED CC(C)[C@H](C)N[C@@H](CCC#N)c1ccccc1 90665872 WCFFNCAQQMUDHE-ZFWWWQNUSA-N 230.355 3.666 30 20 BHED N#Cc1ccc(N2[C@H]3CCC[C@H]2CC3)cc1Cl 143266735 CXIKPLVNUPVXCU-RYUDHWBXSA-N 246.741 3.733 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1cccc(C#N)c1 181988949 CFTJWFJVWDGVEW-UONOGXRCSA-N 242.366 3.954 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCCCCCSC 186776856 UFYKIZIJZMKLEQ-CHWSQXEVSA-N 229.433 3.710 30 20 BHED C=CCC[C@H](C(=O)N(C)CCC)c1ccccc1 187256199 DLZPPDQVQCXACT-HNNXBMFYSA-N 245.366 3.605 30 20 BHED N#Cc1ccc(OC/C=C\c2ccccc2)cc1 206212303 FHYYUDWVCQMXJL-DAXSKMNVSA-N 235.286 3.650 30 20 BHED C[C@@H]1CC[C@@H](CN[C@H](C)c2cccc(C#N)c2)C1 230401922 IFLUJAIMVLJJJP-UMVBOHGHSA-N 242.366 3.645 30 20 BHED C[C@H]1C[C@@H](C)CN(CCCCC(C)(C)C#N)C1 235648366 TVKAWBHKNOBTEA-OKILXGFUSA-N 236.403 3.684 30 20 BHED CC[C@@H](c1ccc(F)cc1)N(CC)C[C@H](C)C#N 245762558 ITTNEQNEVRGMJI-DOMZBBRYSA-N 248.345 3.758 30 20 BHED Oc1ccc(Cl)cc1C=Nc1ccc(F)cc1 252620920 MPCQIKVOULPDRF-UHFFFAOYSA-N 249.672 3.935 30 20 BHED Cc1ccccc1C=NOCc1ccccc1F 255882726 SPQJQYBGBZRDBH-UHFFFAOYSA-N 243.281 3.685 30 20 BHED Cc1cccc(CN2CCC(CCC#N)CC2)c1 260172437 TZTJMDGWWPGEHC-UHFFFAOYSA-N 242.366 3.511 30 20 BHED CCc1ccc([C@H](CC)NCCCC#N)cc1 273163539 AJNCIIFGTKTVEK-HNNXBMFYSA-N 230.355 3.593 30 20 BHED C=C(C)CCN[C@@H](CC)c1ccc(F)cc1 309914337 OKVIVIMQDIUCDU-AWEZNQCLSA-N 221.319 3.833 30 20 BHED C=CCCC(=O)CSc1ccc(F)cc1F 342701678 ADQBBTUMFVJLFX-UHFFFAOYSA-N 242.290 3.592 30 20 BHED Cc1ccc(C#N)c(SCCCC(C)C)n1 342917308 MOKPEILMYAGNLI-UHFFFAOYSA-N 234.368 3.790 30 20 BHED CCCCCCCC(=O)N1CC2CCC1CC2 371397469 OKRROWUNCJSSDI-UHFFFAOYSA-N 237.387 3.748 30 20 BHED C=C(C)CCN[C@@H]1CCCOc2cc(F)ccc21 453325225 UJIFKFJGIYJFAL-CQSZACIVSA-N 249.329 3.595 30 20 BHED CC1(C)CCN(c2c(Cl)cccc2C#N)CC1 462800795 FCQWMFGMLQSURM-UHFFFAOYSA-N 248.757 3.838 30 20 BHED C=C[C@@H](C)NC(=O)[C@@H](CC(C)C)c1ccccc1 465118871 GDXBMNZYVUNOFQ-HIFRSBDPSA-N 245.366 3.507 30 20 BHED C=C(C)CN(C)Cc1cc2c(C)cc(C)cc2[nH]1 482150990 RQNVEPVBKHFFOW-UHFFFAOYSA-N 242.366 3.793 30 20 BHED CC(C)[C@@H]1C[C@@H](Nc2cccc(C#N)c2)CS1 488299505 NZGYYASEJMZXGG-KGLIPLIRSA-N 246.379 3.500 30 20 BHED C=CCCCCCN(C)C(=O)[C@H](C)[C@H](C)CC 503118806 QDPGNLBVAFCWQJ-ZIAGYGMSSA-N 239.403 3.873 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1ccccc1CC 537225230 OMTKZCQLHIXHPW-CYBMUJFWSA-N 245.366 3.724 30 20 BHED CCCCN(CC1(C#N)CC1)[C@@H]1CCC[C@@H](C)C1 550382894 VGVQMJFTCNAZOA-HUUCEWRRSA-N 248.414 3.971 30 20 BHED C=CCCCCCN[C@@H](C)c1ccncc1F 558735046 YYJVEJNNTODNRN-LBPRGKRZSA-N 236.334 3.618 30 20 BHED C=CCCCCN1C[C@H](C)C(F)(F)[C@@H](C)C1 625653515 SEOSCYHDKZFLNP-RYUDHWBXSA-N 231.330 3.566 30 20 BHED C=C(C)CCNC1(c2ccc(F)cc2)CCC1 681406089 SHAMQMMPBYQNSK-UHFFFAOYSA-N 233.330 3.761 30 20 BHED CC[C@H](Nc1cc(F)cc(C#N)c1)[C@H]1CC1(C)C 718627685 QZWOIIBKCDEBIO-KGLIPLIRSA-N 246.329 3.934 30 20 BHED CC(=NNc1cc(F)c(F)cc1F)C1CCC1 747631772 WSHZHLRBCAETIA-UHFFFAOYSA-N 242.244 3.692 30 20 BHED Cc1cc(C)cc(NN=C2CC(C(F)F)C2)c1 766015786 MSKUGSNNJVKTIS-UHFFFAOYSA-N 238.281 3.746 30 20 BHED CCCCCCCCN[C@@H](C)c1c[nH]nc1C 779088566 RZYJOPVXHLUUKX-LBPRGKRZSA-N 237.391 3.729 30 20 BHED C#CCCCCCC(=O)N1CCC[C@@H](CCC)C1 779934473 RYIZPAOBVRRGAC-OAHLLOKOSA-N 249.398 3.609 30 20 BHED CC1(C)CCCC(=NNc2ccnc(F)c2)C1 781127291 LVMGJONSRGUPKL-UHFFFAOYSA-N 235.306 3.589 30 20 BHED C=C(C)COc1cccc(N[C@@H]2CC[C@H]2C)c1 783584403 MIJKZXXFTMUYSF-IUODEOHRSA-N 231.339 3.852 30 20 BHED C=CCNN=C1CCC(C)(c2ccccc2)CC1 794993863 KAFNCMFLBOMYLC-UHFFFAOYSA-N 242.366 3.650 30 20 BHED C=CCCCCCCNC(=O)c1cccc(F)c1 805219257 CDDATMJMXYNMCF-UHFFFAOYSA-N 249.329 3.692 30 20 BHED C=CCCCCCNc1ccc2c(c1)C(=O)OC2 809199482 SLCCSQRRIXOSIJ-UHFFFAOYSA-N 245.322 3.515 30 20 BHED C=CCCCCCCCCNC(=O)/C=C/C 809259813 KGZQNLBZNJXOCH-UUILKARUSA-N 223.360 3.595 30 20 BHED C=CCCCCOC(=O)/C=C\c1ccsc1 811011524 AOTVHZRNGXGSPY-SREVYHEPSA-N 236.336 3.661 30 20 BHED CCCC[C@H](C)C(C)=NOC/C=C/Cl 811670620 WXQSIZOJXIEQOA-GOQIHEAJSA-N 217.740 3.958 30 20 BHED Cc1cccnc1[C@@H]1CCCC(=NOC(C)C)C1 835001062 BKNFBHSOPOOONM-CYBMUJFWSA-N 246.354 3.829 30 20 BHED Cc1ccc(C)c([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c1 1254650358 ZRQITGVJWLGOLV-RRFJBIMHSA-N 242.366 3.646 30 20 BHED C=C(C)CCC(=O)N(CC)Cc1ccc(C)cc1 1353467673 PLGDICHMKWXABF-UHFFFAOYSA-N 245.366 3.700 30 20 BHED Cc1cccc(COc2ccc(C#N)cc2C)c1 36194620 FNDOSOAUIAUXQF-UHFFFAOYSA-N 237.302 3.754 30 20 BHED N#Cc1cccc(N[C@@H]2CCC[C@H](C3CC3)C2)c1 81623957 NKRPCDPTYQSGDZ-GOEBONIOSA-N 240.350 3.939 30 20 BHED CC#CCSC1=Nc2ccccc2CS1 97599444 VBTZXRYWHWCXQP-UHFFFAOYSA-N 233.361 3.677 30 20 BHED CCCCCCCn1ccnc1[C@@H](C)OCC 161477305 ALRCADQECJNXFA-CYBMUJFWSA-N 238.375 3.951 30 20 BHED CCC[C@H]1CCCCN1CCCC(C)(C)C#N 179511524 VDERLADAWNWUJE-AWEZNQCLSA-N 236.403 3.971 30 20 BHED Cc1occc1SCc1ccc(C#N)cc1F 181277117 DYMGEZWIRRUBMS-UHFFFAOYSA-N 247.294 3.891 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](CCC)C1 188510337 FXZLLPGKYAMTQG-HIFRSBDPSA-N 237.387 3.627 30 20 BHED N#C[C@@H]1CC[C@H](N2CCC[C@H]2c2ccsc2)C1 293489319 MXOJACIHZAGJLO-XBFCOCLRSA-N 246.379 3.577 30 20 BHED CC(C)C[C@@H](C)CNc1ccc(CC#N)cc1 302250092 ABKWXVGGJRWNFR-CYBMUJFWSA-N 230.355 3.847 30 20 BHED CC(C)C[C@H](C)COc1ccc(C#N)c(F)c1 304197398 XQYVQWYNWUMESV-NSHDSACASA-N 235.302 3.758 30 20 BHED C=CC[C@@H](C)[C@@H](C)NC1CC(C(F)(F)F)C1 309726472 DFPUBKUURCHBFU-NKVNRFPTSA-N 235.293 3.518 30 20 BHED Cc1nc(NC(C)(C)CC(C)(C)C)ccc1C#N 311224680 WLVHDQQPQSZXKY-UHFFFAOYSA-N 245.370 3.888 30 20 BHED CC[C@@H](C#N)Sc1cccc2cccnc12 336153351 AUPMGQLJMBUHCW-NSHDSACASA-N 228.320 3.629 30 20 BHED Cc1cc(C)cc(CNCC(C)(C)CCC#N)c1 342302144 NMNFPEOAFWNCAY-UHFFFAOYSA-N 244.382 3.723 30 20 BHED C=CCCC1(C(=O)NC2C[C@H](C)C[C@@H](C)C2)CC1 356178707 ZJUJKSQUPQDMLC-CHWSQXEVSA-N 249.398 3.674 30 20 BHED C#CCCCNc1cccc(C2CCC2)c1 390139938 ODFWHLMIPDCZGQ-UHFFFAOYSA-N 213.324 3.779 30 20 BHED C=CCCC[C@@H](C)N[C@H]1CCCc2occc21 398138158 YLHZBXLRRMIELO-OCCSQVGLSA-N 233.355 3.991 30 20 BHED CC[C@H](C)CN(Cc1ccc(C#N)cc1)C(C)C 409445344 ONKDDCCVJQGIMG-AWEZNQCLSA-N 244.382 3.815 30 20 BHED C=CCC(C)(C)C(=O)N1C[C@@H](C)CCC[C@H]1C 410520277 XXCBIMBAICKDSP-QWHCGFSZSA-N 237.387 3.626 30 20 BHED N#Cc1c(F)cccc1CSCC1CCC1 427819783 LMORKFKAUBQNJV-UHFFFAOYSA-N 235.327 3.731 30 20 BHED C=CCC(C)(C)C(=O)N(C)c1cc(C)cc(C)c1 429880263 BAWYGFBDSYUIGO-UHFFFAOYSA-N 245.366 3.869 30 20 BHED C[C@H]1CCCCN(CCCCC(C)(C)C#N)C1 444681891 XOCVDMWCVPVIFR-AWEZNQCLSA-N 236.403 3.828 30 20 BHED C=C(C)CCNC(=O)c1ccccc1C(C)(C)C 448550651 GLWMGMLBLWSIFS-UHFFFAOYSA-N 245.366 3.680 30 20 BHED CC(C)=CCC[C@H](C)Nc1cc(C#N)ccn1 450678101 SIWPLZCITBCMLS-LBPRGKRZSA-N 229.327 3.500 30 20 BHED CCc1ccc(CN(C)CCC(C)(C)C#N)cc1 534216281 MBWRJMURYZWOJS-UHFFFAOYSA-N 244.382 3.621 30 20 BHED C=CCOCCSc1ccccc1Cl 554971715 QWWIGKBOWKAAOV-UHFFFAOYSA-N 228.744 3.635 30 20 BHED C=C(C)CCN[C@@H]1CCCc2c(OC)cccc21 572092603 PVCUEKFHDHCBNB-OAHLLOKOSA-N 245.366 3.628 30 20 BHED C=CC[C@@H]1CCCN(C(=O)CC(CC)CC)C1 617782474 GHAMRLKYFPDDNW-CQSZACIVSA-N 237.387 3.627 30 20 BHED C=CCC1(C(=O)N2CCC[C@@H]3C[C@@H]32)CCCCC1 650074818 KPYZELSDOAGHAJ-KGLIPLIRSA-N 247.382 3.524 30 20 BHED C#CCCCN1CCC[C@@H]1c1ccc(F)c(F)c1 766901518 PMTXJQHSMVUZCH-OAHLLOKOSA-N 249.304 3.515 30 20 BHED CC[C@H]1C[C@@H](C)CCC1=NOCC(F)(F)F 769585248 MQYLWCRTKRYCSD-IUCAKERBSA-N 237.265 3.768 30 20 BHED C=CCCCC(=O)OCCCSC(C)(C)C 775296426 CWUSBNMMBPCENI-UHFFFAOYSA-N 244.400 3.808 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C/C(=C/C)CC 775923106 JCOBCKMTPMOANE-RBFJORHMSA-N 235.371 3.760 30 20 BHED CCCCCCCCCNC(=O)[C@@H]1C[C@H]1C 786162783 ZTRFVSCPIJCTLO-CHWSQXEVSA-N 225.376 3.509 30 20 BHED C[C@@H]1CCC(=NN[C@H](C)C(C)(C)C)[C@H](C)C1 793117614 XQDMPBCRLDOUFE-IJLUTSLNSA-N 224.392 3.823 30 20 BHED C(=NOCC1CC1)c1cc2ccccc2s1 814241597 LFICLWASUDFRMV-UHFFFAOYSA-N 231.320 3.662 30 20 BHED CO[C@H](C(C)=NOCC1CCC1)c1ccccc1 853440823 JOXDWNUTBVHGFO-OAHLLOKOSA-N 247.338 3.567 30 20 BHED C=CC(C)(C)CC(=O)N1CC2(CCC2)[C@H]1C(C)C 880087001 NDZUZXAPIGMDCB-CQSZACIVSA-N 249.398 3.626 30 20 BHED COc1cccc(N[C@H](C)CC(C)(C)C#N)c1C 895581164 GDFJVXKMMVWTSJ-LLVKDONJSA-N 246.354 3.744 30 20 BHED CC(C)(C#N)CCSCc1ccsc1 901791194 FUMBCAOGAWOCQU-UHFFFAOYSA-N 225.382 3.921 30 20 BHED CC(=NNc1cc(C)cc(C)c1)c1ccco1 916346633 LWMMABCKIFRETL-UHFFFAOYSA-N 228.295 3.733 30 20 BHED CCCCCCCCOC(=O)c1cccn1C 918494647 XKOGZPPBKSRCMH-UHFFFAOYSA-N 237.343 3.542 30 20 BHED COc1ccc(O)c(/C=N/C2CCCCCC2)c1 920943274 UHNIEDSAZTZJRM-LFIBNONCSA-N 247.338 3.543 30 20 BHED CCc1ccccc1COc1ccc(C#N)cc1 1188202958 WMEAWEHNEBZLIP-UHFFFAOYSA-N 237.302 3.700 30 20 BHED C=C(C)CCC(=O)N[C@@H](CC)c1ccc(F)cc1 1335859870 XNIZGOHFMDUDNR-AWEZNQCLSA-N 249.329 3.749 30 20 BHED CC[C@H](C)N(CC)CCC1(C#N)CCCCC1 1460408496 MWPBZKCBYWZVCQ-AWEZNQCLSA-N 236.403 3.971 30 20 BHED C[C@@H](Nc1cccc(C#N)n1)C1CCCCCC1 1639761233 OFSRYZUCEZHRQJ-GFCCVEGCSA-N 243.354 3.724 30 20 BHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccco1 35739028 VVANBVZTMUTVGG-NEPJUHHUSA-N 240.306 3.563 30 20 BHED C=CCNc1cc(C(F)(F)F)ccc1C 85709132 DADUJFPPTVEZKO-UHFFFAOYSA-N 215.218 3.612 30 20 BHED Cc1ccc2c(c1)CCCN2CCC(C)(C)C#N 87595105 OUVSZANZRFMKFB-UHFFFAOYSA-N 242.366 3.688 30 20 BHED CCCCCCC[C@@H](C)N[C@H]1CCCC[C@@H]1O 103530208 RRZONJNTUDQFID-ILXRZTDVSA-N 241.419 3.629 30 20 BHED CCCCCCCCNc1ccc(Cl)nn1 126919749 QAOXRAYLPIEIFA-UHFFFAOYSA-N 241.766 3.902 30 20 BHED Cc1cccc(F)c1NCc1ccc(C#N)cc1 164803026 CXSNSEXMOHVJIG-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CC#CCNc1ccccc1S[C@@H](C)CC#N 182306545 KDFHDJVYRLVJSL-LBPRGKRZSA-N 244.363 3.516 30 20 BHED C#CCC(C)(C)C(=O)N[C@@H](C)CCCCCC 184995105 YHNAEEHJUWSNLG-ZDUSSCGKSA-N 237.387 3.511 30 20 BHED C[C@H](Oc1ccccc1F)c1ccc(C#N)cc1 194621796 NBJWLERAARVNHP-NSHDSACASA-N 241.265 3.837 30 20 BHED N#Cc1ccc(O[C@@H]2C=CCCC2)cc1Cl 220980661 JCQMOKPEEOBRIT-LLVKDONJSA-N 233.698 3.699 30 20 BHED Cc1ccc(/C=C\C(=O)c2ccco2)s1 255866948 ZXFHKINNEZMZMH-SREVYHEPSA-N 218.277 3.546 30 20 BHED Cc1ccsc1CN1CCC(CCC#N)CC1 259987898 LBHMGAUIXKFHIU-UHFFFAOYSA-N 248.395 3.572 30 20 BHED CCCc1ccc([C@@H](C)NCCCC#N)cc1 273173979 COEMLTXZAATHSQ-CYBMUJFWSA-N 230.355 3.593 30 20 BHED CC[C@H](C)[C@@H](C)Nc1snc(Cl)c1C#N 301737609 CCBJRHONQHTFMC-NKWVEPMBSA-N 243.763 3.515 30 20 BHED C=C[C@H](C)NC(=O)Nc1cccc2ccsc12 337319876 HTZJUCXKNYPKNA-VIFPVBQESA-N 246.335 3.597 30 20 BHED C=CCCCCCN(C)Cc1cnccc1C 353662917 ZYFDMBYYUIDTFQ-UHFFFAOYSA-N 232.371 3.568 30 20 BHED C=CCC[C@H](CC)NCC(C)(C)CC=C 393466814 IRZSYIRPJGYMAU-ZDUSSCGKSA-N 209.377 3.923 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(OC)cc1C 414155414 UYUUNDFCIHOIBI-ZDUSSCGKSA-N 233.355 3.620 30 20 BHED CC[C@H]1CCC[C@H]1CNC1CCC(C)(C#N)CC1 449435200 VHICAHJKLIMGRP-FXQLRMTLSA-N 248.414 3.875 30 20 BHED C=C(C)CN(CC)Cc1cc(F)c(F)cc1F 505898116 LPBLTODDYAFYHL-UHFFFAOYSA-N 243.272 3.502 30 20 BHED C=C(C)CCc1noc(-c2ccc(C)c(C)c2)n1 508662638 NUNCXSPNIDHSKA-UHFFFAOYSA-N 242.322 3.862 30 20 BHED C=C(C)CCN(C)C/C(C)=C/c1ccccc1 510747960 IGMOIKBBLYWMAG-NTCAYCPXSA-N 229.367 3.988 30 20 BHED C=C1CCN(C[C@H](CC)c2ccccc2)CC1 513484388 JWVBDNSRELECIG-HNNXBMFYSA-N 229.367 3.832 30 20 BHED C=CCCCN(C)CCOC1CCCCCC1 525411019 NJEUOOLURZHIAO-UHFFFAOYSA-N 239.403 3.624 30 20 BHED C=CCCc1csc(N2CCCCCC2)n1 534879448 KMUKNPDAQZMAOB-UHFFFAOYSA-N 236.384 3.642 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@H]1CC[C@@H](C)C1 537237911 NHHWGPPXIFEWPX-RDBSUJKOSA-N 237.387 3.674 30 20 BHED CC[C@H](C)[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 540707348 VSXFBWKZZNWPFU-SDDRHHMPSA-N 248.345 3.783 30 20 BHED C=CC1CCN(CCCc2ccsc2)CC1 543033169 FDAOEVMWCNBRBN-UHFFFAOYSA-N 235.396 3.579 30 20 BHED CCC[C@@H]1CCCC[C@@H]1N[C@H]1CC[C@@H](C#N)C1 570586568 AWVYRUSCMUTTET-KBXIAJHMSA-N 234.387 3.627 30 20 BHED C=C1CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 594846396 RNJAIOYKYXKWIF-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2C)C1 617781411 LTVGWCJBLKNYBD-KFWWJZLASA-N 249.398 3.627 30 20 BHED C=CCCCSc1ccc([N+](=O)[O-])cc1F 618964414 CXKPAXOEZOXDKY-UHFFFAOYSA-N 241.287 3.792 30 20 BHED C=CCCC(C)(C)NC(=O)CC[C@H](C)CC 620857319 WZZDDOCJVHWGQA-GFCCVEGCSA-N 225.376 3.674 30 20 BHED C=C(Cl)CN1CCC[C@@H]1Cc1ccccc1C 734211593 VUDAOCCDIURCJW-OAHLLOKOSA-N 249.785 3.754 30 20 BHED C[C@@H]1CC(/N=C/c2ccccc2O)C[C@H](C)C1 739425064 BHIHMZMBMFTSIY-NVXOJVMTSA-N 231.339 3.636 30 20 BHED C=C(Cl)CN(C)C1CCCCCCC1 748983099 ZNRIUDCRJPNQLA-UHFFFAOYSA-N 215.768 3.784 30 20 BHED C=CCCC(CC)=NNc1cccc(OC)c1 750933536 IWRKVPSQMBWPLK-UHFFFAOYSA-N 232.327 3.839 30 20 BHED Clc1ccc(CNN=C[C@H]2CC=CCC2)cc1 764718105 JVHAUEKRKAEOAH-LBPRGKRZSA-N 248.757 3.772 30 20 BHED C[C@@H]1CC(C)(C)CC1=NOC1CCCC1 766029981 QSLULQWYBXOQSR-SNVBAGLBSA-N 209.333 3.758 30 20 BHED C#CCCCSCc1cccc2cccnc12 766740610 DVODFOVOGJQRCG-UHFFFAOYSA-N 241.359 3.881 30 20 BHED C=CCN(C/C=C\c1ccc(F)cc1)C(C)C 768546662 BXCGWZSLJZSOAD-WAYWQWQTSA-N 233.330 3.735 30 20 BHED O=C(/C=C/c1cccc(Cl)c1)c1cscn1 769266477 WKSLKKRHJKGJBP-SNAWJCMRSA-N 249.722 3.693 30 20 BHED C#CCCCCCC(=O)N(C(C)C)C1CCCC1 779793836 AXQZTOCKDSTKFM-UHFFFAOYSA-N 249.398 3.750 30 20 BHED C[C@H]1CCC(=NNC2CCCCC2)[C@@H](C)C1 786043010 FBTHMSIGFCNRNS-RYUDHWBXSA-N 222.376 3.721 30 20 BHED FC(F)C1CCC(=NNC2CCCCC2)CC1 799484675 AJNFBCPLUGDHAI-UHFFFAOYSA-N 244.329 3.720 30 20 BHED Cc1ccc(NN=Cc2cccc3cc[nH]c23)cc1 814685648 LJTMGXAVMYADQS-UHFFFAOYSA-N 249.317 3.922 30 20 BHED CC[C@@H](C)CC=NNc1cccc(Cl)n1 834981618 UQSNSXPFINHMNJ-SECBINFHSA-N 225.723 3.569 30 20 BHED C=C(Cl)CSCc1cnc(Cl)s1 853783565 LXXJPQNUUKSUHS-UHFFFAOYSA-N 240.180 3.782 30 20 BHED CCC(C#N)(CC)C(=O)Oc1cccc(C)c1C 860456047 JOWJBTHWYNHMDJ-UHFFFAOYSA-N 245.322 3.539 30 20 BHED CCCC(C)=NNc1ccc2ccccc2n1 916286441 DSFXXVIQVDMEKK-UHFFFAOYSA-N 227.311 3.823 30 20 BHED Cc1cc(CSCC2(C#N)CCC2)cs1 1334807441 ZXQFJDCKQRRHEH-UHFFFAOYSA-N 237.393 3.984 30 20 BHED CC[C@H](C)[C@@H](C)Nc1ccc(CC#N)cc1 37071193 WGMLUYCKHDMYMB-NWDGAFQWSA-N 216.328 3.599 30 20 BHED CCCC[C@@H](CC)CN(CC)C[C@@H](C)C#N 43455090 IRWMTXRNDCRMOE-UONOGXRCSA-N 224.392 3.684 30 20 BHED C=CCN1CCC[C@H]1c1ccccc1Cl 52210574 CLIDOTUSTIZCMF-ZDUSSCGKSA-N 221.731 3.663 30 20 BHED CCC1(C)CCN(Cc2cccc(C#N)c2)CC1 60941629 WZODUIXAAGNNHZ-UHFFFAOYSA-N 242.366 3.570 30 20 BHED C[C@@H]1C[C@@H](C)CN(c2ccc(C#N)c(Cl)c2)C1 61850750 DCWZSVSZHLDRGQ-GHMZBOCLSA-N 248.757 3.694 30 20 BHED CCCC1CCC(NCC2(CC#N)CC2)CC1 88249772 RBPINKYFUYNLBR-UHFFFAOYSA-N 234.387 3.629 30 20 BHED CC1(C)CCC[C@@H]1Nc1ccc(OCC#N)cc1 94303452 WXKWUZZTYNURIQ-AWEZNQCLSA-N 244.338 3.580 30 20 BHED C=CC[C@H](C)NC1CCC(CCC)CC1 124241698 MEBCCXNTTSQMQR-HSBZDZAISA-N 209.377 3.900 30 20 BHED Cc1ccnc(N[C@@H]2CCCC(C)(C)C2)c1C#N 124893468 RGXFSOOCLAYCIU-GFCCVEGCSA-N 243.354 3.642 30 20 BHED C#CCCCNc1ccc2ccccc2c1 161047540 HDBCLMKXJUQFMT-UHFFFAOYSA-N 209.292 3.665 30 20 BHED N#CCSCCCSCC1CCCCC1 174015808 WYORFTJSOUQVLA-UHFFFAOYSA-N 243.441 3.947 30 20 BHED Cc1ccc(CNCC(C)(C)CCC#N)cc1F 174251985 KZEZTQUXQZOLGO-UHFFFAOYSA-N 248.345 3.554 30 20 BHED C=CCCCC(=O)N[C@H](C)CCC(C)(C)C 175720786 BCSKMQUMDMRSBC-GFCCVEGCSA-N 225.376 3.674 30 20 BHED Cc1ccccc1C1CC(NCCCCC#N)C1 180638861 ZBQFWFBFENFAAJ-UHFFFAOYSA-N 242.366 3.525 30 20 BHED C[C@H](S[C@H]1CCO[C@H]1C)c1cccc(C#N)c1 189865991 VGPAYDZZZBBUCS-MJVIPROJSA-N 247.363 3.530 30 20 BHED CC1(C)/C(=C\c2cccnc2)C(=O)c2ccccc21 255631789 SJBAWWXDWTZQLB-GDNBJRDFSA-N 249.313 3.639 30 20 BHED C=CCC(CC=C)C(=O)N(C1CC1)[C@@H](C)C1CC1 268122823 CKTMIEKJOSLUAI-LBPRGKRZSA-N 247.382 3.544 30 20 BHED N#CCCCN[C@@H]1CCCC[C@H]1c1ccccc1 273161315 KLAAREKFILCPBH-JKSUJKDBSA-N 242.366 3.606 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)Cc1cccc(C)c1 276038562 MZBCCDVEITZROK-MRXNPFEDSA-N 245.366 3.556 30 20 BHED C=CCCN[C@@H]1CCCCC12CCCC2 308882297 DJRMUJIXDYBKRW-CYBMUJFWSA-N 207.361 3.655 30 20 BHED CCN(CC1CCC(C)(C)CC1)C[C@@H](C)C#N 310266300 RNHOMIADICSUFQ-ZDUSSCGKSA-N 236.403 3.684 30 20 BHED CCc1cccc(Nc2ccc(C#N)c(C)n2)c1 311026246 PFSXAMYQYNHHFH-UHFFFAOYSA-N 237.306 3.568 30 20 BHED C[C@H](CC1CCC1)Nc1cccc(CC#N)c1 313430815 USXMXUGMDIZFKZ-GFCCVEGCSA-N 228.339 3.743 30 20 BHED C=CCN[C@@H](CCCC)c1ccc(OC)cc1 341786190 BWHFWOIBACGDLW-HNNXBMFYSA-N 233.355 3.702 30 20 BHED C=CCCNc1ccc(Oc2cccnc2)cc1 345546649 MDJBQCCPJLOIMT-UHFFFAOYSA-N 240.306 3.862 30 20 BHED C=CCC(CC=C)c1nc(CCC(=C)C)no1 351641579 ORASFBLEQQUTAZ-UHFFFAOYSA-N 232.327 3.814 30 20 BHED C=C(C)CCN(C)[C@H]1CC[C@@H](SCC)C1 352043595 GCOUMUILBHJENF-QWHCGFSZSA-N 227.417 3.559 30 20 BHED N#Cc1ccnc(SCCC2CCCC2)c1 356577781 LEBRIZZKBWGZDV-UHFFFAOYSA-N 232.352 3.626 30 20 BHED C=CC[C@H](CC)N[C@@H](C)CCc1ccccc1 393810115 TUHLGBRWBUTDTL-HOCLYGCPSA-N 231.383 3.952 30 20 BHED C=C(C)CCN[C@@H](C)c1cc(F)cc(F)c1 395287426 CZKGJEHPXOWFFO-JTQLQIEISA-N 225.282 3.582 30 20 BHED CC(C)(C#N)c1ccccc1CSCCC#N 413014409 QGZLOSFSGDYYEB-UHFFFAOYSA-N 244.363 3.635 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H](CC)[C@H]1CC1(C)C 416080505 LXXCHELIEKKKQY-NEPJUHHUSA-N 237.387 3.530 30 20 BHED C=C(CC)CSCCOCC1CCC1 419440552 LDHXSBOGXZXLMZ-UHFFFAOYSA-N 214.374 3.503 30 20 BHED C=CC(C)(C)C(=O)NC[C@H](CC)CCCC 448650353 LSVLZRQCUGMQPU-GFCCVEGCSA-N 225.376 3.531 30 20 BHED C=CCCCC[C@@H](C)NCC1(C)CCOCC1 449177167 UZVSADFUHVHBBC-CQSZACIVSA-N 239.403 3.528 30 20 BHED C=CC(C)(C)C(=O)N[C@H](C)CC1CCCCC1 451244407 MTIIUILBTMQRIG-GFCCVEGCSA-N 237.387 3.674 30 20 BHED C=CCCCC(=O)N[C@@H](CCC)C(C)(C)C 452664698 UWBVECXPXMFFKT-LBPRGKRZSA-N 225.376 3.674 30 20 BHED CC#CCCCC(=O)N(C)[C@@H](C)C1CCCCC1 470385595 DTPHCXDCEUYCBM-AWEZNQCLSA-N 249.398 3.607 30 20 BHED C=CCCC1(C(=O)Nc2cc(C)cc(C)c2)CC1 474088126 NARRBIDIPWSEGF-UHFFFAOYSA-N 243.350 3.988 30 20 BHED C=CCCCCNC(=O)[C@@](C)(CC)CCC 476739420 AUCZIUOLKCPZHT-AWEZNQCLSA-N 225.376 3.675 30 20 BHED CC(C)=CCC[C@@H](C)CCN(C)C[C@H](C)C#N 482078680 SSSWNBXEQGWVNG-HUUCEWRRSA-N 236.403 3.850 30 20 BHED C=CC1CCN([C@@H](C)c2ccccc2C)CC1 483382206 KCRXKJNWNUYOLO-AWEZNQCLSA-N 229.367 3.954 30 20 BHED C=CCCN(CCC)Cc1ccc(F)cc1 524812077 NLEQSKSGNDNLCV-UHFFFAOYSA-N 221.319 3.614 30 20 BHED C=CCN(CCc1ccccc1)[C@H](C)CC 561635643 VGUUSXOWNOODFW-CQSZACIVSA-N 217.356 3.516 30 20 BHED C=CCOCCCSc1ccc(C#N)c(C)c1 569723013 JDNIQRXGQWWPAX-UHFFFAOYSA-N 247.363 3.552 30 20 BHED C=CCC1(NCc2ccc(C#N)s2)CCCC1 594987932 MTCJUXQPBCYMOR-UHFFFAOYSA-N 246.379 3.598 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 617777581 SBUHDLHPDCHMIE-RBSFLKMASA-N 249.398 3.627 30 20 BHED C=C(C)CCOC(=O)c1ccc(C(F)F)cc1 744303126 MQUJLGVQQQXUEK-UHFFFAOYSA-N 240.249 3.747 30 20 BHED CC[C@H](C)C(C)=NNc1oc(C(C)C)nc1C#N 745624852 OLSSKXLTKGZHHQ-VIFPVBQESA-N 248.330 3.504 30 20 BHED CCC(CC)NN=C(C)CCC=C(C)C 749165485 ZLTSCIMFXNNJHW-UHFFFAOYSA-N 210.365 3.887 30 20 BHED CCCCCCC(C)=NOCC(F)(F)F 764836492 VAUXSAJISCYAGI-UHFFFAOYSA-N 225.254 3.912 30 20 BHED Cc1cc(/C=C/C(=O)c2ccccc2)ccc1C#N 766484705 PJRCKMUVTLASQY-CSKARUKUSA-N 247.297 3.763 30 20 BHED C#CCCCCCC(=O)N(C1CC1)[C@H](C)C(C)C 779832711 UMZXMQRZTLOKLV-CQSZACIVSA-N 249.398 3.606 30 20 BHED C[C@H]1CCCC(=NN[C@@H]2CCCC2(C)C)C1 782301005 NLRJANXEWUQDSN-WCQYABFASA-N 222.376 3.721 30 20 BHED CCON=CC1CCC(C(C)(C)C)CC1 783821692 NWYAQXQQUIKVRF-UHFFFAOYSA-N 211.349 3.861 30 20 BHED C=C(C)CCc1noc([C@@H](C)c2ccc(C)o2)n1 795764676 ROUXRUDDLBGNJU-NSHDSACASA-N 246.310 3.632 30 20 BHED CC(C)C[C@H](C)C=NNc1ccc(C#N)cc1 799109129 WFRWKJNZVUXZIA-LBPRGKRZSA-N 229.327 3.638 30 20 BHED C=CCCC(C)=NNc1ccc([N+](=O)[O-])cc1C 807989277 FORBTYNDBNEAPT-UHFFFAOYSA-N 247.298 3.657 30 20 BHED CCCCO[C@@H]1CC(=NOC2CCC2)C1(C)C 812234902 BIEXDEQOZZLDPW-CYBMUJFWSA-N 239.359 3.527 30 20 BHED C=CC(C)(C)CN[C@H](C)c1cccnc1Cl 834884441 ZJAWSVHBYOEVEG-SNVBAGLBSA-N 238.762 3.598 30 20 BHED C=CCCCCC(C)=NNc1ccnc(F)c1 834972913 HQLOCCXXZFXIPN-UHFFFAOYSA-N 235.306 3.755 30 20 BHED C=CCCCCCOC(=O)C(C#N)(CC)CC 860197994 LWTVVEJXPICLQA-UHFFFAOYSA-N 237.343 3.606 30 20 BHED CC(=NNc1cccc(C)n1)C1CCCCC1 863162106 TVRDQXSEPCLNJV-UHFFFAOYSA-N 231.343 3.758 30 20 BHED C=C1CCC(C(=O)N(C2CC2)[C@H](C)C2CC2)CC1 888117091 XHKQWPQZYURFLV-GFCCVEGCSA-N 247.382 3.522 30 20 BHED CCCC(=NNc1ccccn1)c1ccccc1 916276321 WZZIHQXQNQCJNN-UHFFFAOYSA-N 239.322 3.698 30 20 BHED C=CCN(Cc1cc(C)cc(C)c1)C(C)C 917069479 PBNHAWBAPCHTMR-UHFFFAOYSA-N 217.356 3.700 30 20 BHED CC(C)=C1CC[C@@H](C)C[C@@H]1NCCCCC#N 924943083 SARJFFIYRUGAHD-HIFRSBDPSA-N 234.387 3.795 30 20 BHED C=CCCCCCN1CCC(c2ncco2)CC1 931444378 RGGNSTFVHVMJFB-UHFFFAOYSA-N 248.370 3.600 30 20 BHED CC(C)CN(CCC#N)C[C@@H]1CCCC[C@@H]1C 1167457787 KTMIKILRUPHLAJ-GJZGRUSLSA-N 236.403 3.684 30 20 BHED CC(C)CN(CCC#N)C[C@H]1CCCC[C@@H]1C 1167457789 KTMIKILRUPHLAJ-LSDHHAIUSA-N 236.403 3.684 30 20 BHED C=C(CC)C(=O)N[C@H](C)c1cccc(C2CC2)c1 1347134475 FXWAMBIZBDFTER-GFCCVEGCSA-N 243.350 3.707 30 20 BHED N#Cc1cccnc1Oc1ccc(F)c(Cl)c1 22798000 UPBOBZMZKSYOHZ-UHFFFAOYSA-N 248.644 3.538 30 20 BHED CC1CCC(N[C@H](C)c2cccc(C#N)c2)CC1 37201588 ALAQOPYXDGBSIM-MFOWVQHXSA-N 242.366 3.788 30 20 BHED C[C@H](Nc1ccc(OCC#N)cc1)C1CCCC1 54077599 XRJDEQGZMJZYFW-LBPRGKRZSA-N 244.338 3.580 30 20 BHED CC(C)N(Cc1ccc(C#N)cc1)C1CCCC1 68448835 WTAKDVJKQHQXKT-UHFFFAOYSA-N 242.366 3.711 30 20 BHED Cc1ccc(C(=O)/C=C\c2ccccc2F)o1 96930423 RTSRDSWVEFGWAF-FPLPWBNLSA-N 230.238 3.623 30 20 BHED C=CCCC(=O)Nc1cccc(OCC(C)C)c1 102234244 XTEARRFSLFKMMH-UHFFFAOYSA-N 247.338 3.626 30 20 BHED Oc1ccc(Cl)cc1/C=N\Cc1ccccc1 105797215 HFGUYEVGJIJJLH-YBEGLDIGSA-N 245.709 3.665 30 20 BHED C[C@H]1CCCC[C@H]1Nc1ccc(F)cc1C#N 111238336 VCBXWCKACKSLGO-GXFFZTMASA-N 232.302 3.688 30 20 BHED C#CCCCCNc1nc2ccccc2s1 130561893 CDCVMKBSWQHEQC-UHFFFAOYSA-N 230.336 3.512 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)c1nccs1 132007597 BGIHAVNVNFKZLK-NEPJUHHUSA-N 238.400 3.929 30 20 BHED C=CC1CCN(C(=O)C2CCCCCCC2)CC1 172843999 JWTVBZDCFKNDFQ-UHFFFAOYSA-N 249.398 3.772 30 20 BHED Cc1ccc2c(c1)[C@H](NCCCCC#N)[C@@H](C)C2 180430127 LMFWQKHNSGIJMK-XJKSGUPXSA-N 242.366 3.512 30 20 BHED C=C1CCN(Cc2ccc(Cl)c(C)c2)CC1 219004503 OEZMVWCMNIDFRT-UHFFFAOYSA-N 235.758 3.800 30 20 BHED CC[C@H](C)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 249328057 VDDBFLVPDINBOB-RWMBFGLXSA-N 230.355 3.643 30 20 BHED C=CCCC(=O)N(CC)c1cccc(C)c1C 263641264 BVTPSIMORZYNCY-UHFFFAOYSA-N 231.339 3.623 30 20 BHED CC(C)(C#N)CCCCN(C#N)c1ccccc1 277472643 AXZUHHLGUBYKQK-UHFFFAOYSA-N 241.338 3.694 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cc(C)c(C)o1 282251626 QLXQJLGHBRPHRA-WDEREUQCSA-N 207.317 3.512 30 20 BHED C=C(C)CN(CC)C(=O)[C@H](CC)CCCC 302223056 QSZZAARBRFXGKI-CYBMUJFWSA-N 225.376 3.627 30 20 BHED C=CCCCOc1ccc(Cl)cc1[N+](=O)[O-] 303686934 ODUVNWTXUIJUMY-UHFFFAOYSA-N 241.674 3.593 30 20 BHED C=CCC[C@@H](CCC)N[C@H]1CCC(F)(F)C1 309995770 CCDJVPJJUPQFFJ-NEPJUHHUSA-N 231.330 3.899 30 20 BHED C[C@H]1CCC[C@H](NC2CCC(C)(C#N)CC2)C1 336214311 GUALFCDTJIIXDS-LQULJDIASA-N 234.387 3.627 30 20 BHED C=CCC[C@@H](NCCCOCC)c1ccccc1 341935339 ZCAOYDSQCXIYQT-MRXNPFEDSA-N 247.382 3.710 30 20 BHED CC(C)(C#N)CCN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 394423040 QGTGYUVKHJFPGL-CJNGLKHVSA-N 248.414 3.827 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@H](C)c1cccc(C)c1 410127702 CLDMEUOHNZHSBM-UKRRQHHQSA-N 245.366 3.569 30 20 BHED N#C[C@@H]1CC[C@@H](N2CCC3(CCCCC3)CC2)C1 429680223 SNVRFKQVIPHJNN-HUUCEWRRSA-N 246.398 3.725 30 20 BHED CC(C)Oc1ccccc1N[C@H]1CC[C@H](C#N)C1 442866533 LYKOUNVIWVJHDH-STQMWFEESA-N 244.338 3.578 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)C(C)(F)F 449415229 ODFYCAABSGZUDB-MNOVXSKESA-N 219.319 3.755 30 20 BHED C=CCC1(C(=O)N[C@@H](C)[C@@H](C)CC)CCCC1 449805455 PGLMIWXUDGWAEW-STQMWFEESA-N 237.387 3.674 30 20 BHED C=C[C@@H]1CCCCN1c1ccnc2ccccc12 486479438 CXGCTJFQAVURRK-CYBMUJFWSA-N 238.334 3.780 30 20 BHED C=CCCCCCN1CCC[C@H]1c1ccc[nH]1 488178258 FBGNOTOHBQTREU-HNNXBMFYSA-N 232.371 3.898 30 20 BHED C=C(C)CN(CC)C[C@H]1CCCC(F)(F)C1 513968041 VHESKXBETBMUSR-LBPRGKRZSA-N 231.330 3.710 30 20 BHED C[C@@H]1CCN(CCC(C)(C)C#N)[C@H]2CCCC[C@@H]21 537364543 WMIQGLDNGCOZBI-KFWWJZLASA-N 248.414 3.827 30 20 BHED C=C(C)CSCc1ccc(CC#N)cc1 541295522 ARJZAADXQBCNPC-UHFFFAOYSA-N 217.337 3.562 30 20 BHED CC(C)=CCSCc1cc(F)ccc1C#N 565797493 SGQJQFTUJRRIKY-UHFFFAOYSA-N 235.327 3.897 30 20 BHED CC(C)c1ccc2c(c1)[C@H](NCCC#N)CCC2 569960989 VHUSQNATJIHABV-MRXNPFEDSA-N 242.366 3.691 30 20 BHED N#CCC1CCN(CCCC2CCCCC2)CC1 584681451 DTUSMTGCQQPSBD-UHFFFAOYSA-N 248.414 3.973 30 20 BHED C=CC1CCN(Cc2ccccc2Cl)CC1 600681570 TXJJYFKIRCTZBO-UHFFFAOYSA-N 235.758 3.738 30 20 BHED COc1ccc(C)cc1CS[C@@H](C#N)C1CC1 601077954 DCEQZDUCWJLOKJ-AWEZNQCLSA-N 247.363 3.539 30 20 BHED C=CCN(C(=O)[C@@H]1CCC[C@@H](C)C1)C(C)(C)C 622944478 URNAVBVZAARBEV-CHWSQXEVSA-N 237.387 3.626 30 20 BHED C[C@H]1CCCC1=NNc1ccccc1Cl 729140495 FWFOTUGQOQJHPM-VIFPVBQESA-N 222.719 3.928 30 20 BHED C=C(C)COC(=O)C[C@@H](C)c1ccc(CC)cc1 738684641 KEPFPSQCZAHVPS-CYBMUJFWSA-N 246.350 3.862 30 20 BHED Clc1ccc(NN=CC2CCCC2)cc1 741838500 MOOAHTZFQJVNJT-UHFFFAOYSA-N 222.719 3.928 30 20 BHED C(=NNc1cccc2ccccc12)c1cccnc1 747060520 VAXKTBGRERPVMD-UHFFFAOYSA-N 247.301 3.681 30 20 BHED C[C@@H]1C[C@@H]1C=NOc1ccccc1C(F)(F)F 754711907 CYIBRZXGZVIIKL-RKDXNWHRSA-N 243.228 3.726 30 20 BHED C#CCCCN1CC[C@H]1c1ccc(Cl)cc1 766905933 NJJZZJUFSAQFFC-AWEZNQCLSA-N 233.742 3.500 30 20 BHED CC/C=C(/C)C(=O)OCCCCC(C)(C)C#N 768457561 FPZXUXRHEAPIKG-WQLSENKSSA-N 237.343 3.606 30 20 BHED CC(=NN[C@@H]1CCCC1(C)C)c1ccsc1 782299847 JKZUHYKXYRRDPJ-GFCCVEGCSA-N 236.384 3.640 30 20 BHED CC(C)Oc1ccccc1C=NOCCC1CC1 783553795 YCNLAGBVSCIAGN-UHFFFAOYSA-N 247.338 3.624 30 20 BHED C=CCNN=C(C)[C@H](C)c1ccc(Cl)cc1 794999992 WBVUNMLAAXPMBM-JTQLQIEISA-N 236.746 3.595 30 20 BHED C=CCNN=C1CCCC[C@H]1C1=CCCCC1 814927822 IULFOSVFLCLVSI-AWEZNQCLSA-N 232.371 3.809 30 20 BHED CC[C@H](C)C(C)=NNc1ccc(F)c(F)c1F 814945860 UDNPPXIFIJMRHB-ZETCQYMHSA-N 244.260 3.938 30 20 BHED C#CCCCN[C@@H](C)c1cccc(C2CC2)c1 815584548 HVONZKXSDYSCKM-ZDUSSCGKSA-N 227.351 3.628 30 20 BHED CCC(=NNc1ccc([N+](=O)[O-])cc1)C1CCC1 834914887 UUWJODFRCFVFEA-UHFFFAOYSA-N 247.298 3.573 30 20 BHED C=CC[C@H]1CCCCC1=NN[C@@H](C)C(F)(F)F 853353906 OVNHBFWHEWCPKO-UWVGGRQHSA-N 248.292 3.649 30 20 BHED C[C@H]1CCCCN1N=C1CCC[C@H]1CCCF 853382363 YMTLADAMLBPGKS-STQMWFEESA-N 240.366 3.767 30 20 BHED C=C(C)CN(CC)C(=O)/C=C(\C)c1ccccc1 917631675 VIWDAKOBIBWIJW-SDNWHVSQSA-N 243.350 3.515 30 20 BHED CN(CCCCC1(C#N)CCC1)C1CCCC1 929191488 KWBXLFMXFUWJKZ-UHFFFAOYSA-N 234.387 3.725 30 20 BHED C=CCC(CC=C)c1nnc(C2CCCC2)o1 1257886108 IAJPCFYEWOMVKM-UHFFFAOYSA-N 232.327 3.963 30 20 BHED C(=NOC1CCCCC1)c1cccn1C1CC1 1328091596 PVYXTLUDGDIELD-UHFFFAOYSA-N 232.327 3.506 30 20 BHED C=C(C)CCC(=O)N(C)[C@H](C)c1ccc(C)cc1 1346568952 AXPXXLRPLODVBM-CQSZACIVSA-N 245.366 3.871 30 20 BHED C=CCN[C@H](C)c1cccc(C(F)(F)F)c1 19875858 WBBULLVOWYQAPU-SECBINFHSA-N 229.245 3.542 30 20 BHED N#CCCN[C@H](c1ccccc1)C1CCCCC1 20200170 VLSAFSKUDZRSGX-MRXNPFEDSA-N 242.366 3.811 30 20 BHED CCCCCCCCOC(=O)c1ncoc1C 105760310 FYXWLAQMWWANLE-UHFFFAOYSA-N 239.315 3.500 30 20 BHED C=CC1CCN(C(=O)[C@@H](C)CC2CCCC2)CC1 114274624 JMKQMAHMXHAWSQ-ZDUSSCGKSA-N 249.398 3.627 30 20 BHED C=CCCCC(=O)N1CCC[C@@H](C(C)C)CC1 175681820 JWHVYDLUMNEVFW-CQSZACIVSA-N 237.387 3.627 30 20 BHED C=CCCCC(=O)N(C)[C@@H]1CCCC[C@H]1CC 176906652 FEUGOAMBOFQLHE-ZIAGYGMSSA-N 237.387 3.770 30 20 BHED CCc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1 185723727 NTLVUPKTAHVSLQ-ZFWWWQNUSA-N 228.339 3.743 30 20 BHED N#C[C@@H]1CCC[C@@H](NCCC2=CCCCC2)C1 185763425 QJENTWRLYOUGMI-HUUCEWRRSA-N 232.371 3.549 30 20 BHED CSc1ccccc1[C@@H](C)NCCCCC#N 194881984 VQKAOMBPGPMMEG-GFCCVEGCSA-N 248.395 3.753 30 20 BHED CCCc1nccn1CCCCC(C)(C)C#N 233387763 BYTQJSYIAJVALE-UHFFFAOYSA-N 233.359 3.556 30 20 BHED Cc1cc(Cl)ccc1N[C@@H]1CC[C@H](C#N)C1 309847702 HKIQCBNBOAYYHL-CMPLNLGQSA-N 234.730 3.753 30 20 BHED Cc1ccc(CNC2CCC(C)(C#N)CC2)cc1 336206194 LWGMHPXCWJGTOG-UHFFFAOYSA-N 242.366 3.557 30 20 BHED C=C(C)CCNc1cccc2c1ccn2C 381504646 JHINMJATWNCBBD-UHFFFAOYSA-N 214.312 3.556 30 20 BHED CCN(C[C@H](C)C#N)C[C@@H](C)C1CCCCC1 384076489 WNTAMHQXHJIJKL-ZIAGYGMSSA-N 236.403 3.684 30 20 BHED CC[C@@H]1CCC[C@@H]1NCCCCC(C)(C)C#N 388903509 NTLQVSAXCWAWAD-KGLIPLIRSA-N 236.403 3.875 30 20 BHED C[C@@H](CN1CCC[C@@H](CC#N)C1)C1CCCCC1 397697613 ZNMANZWDUBTISB-GJZGRUSLSA-N 248.414 3.828 30 20 BHED C=CC[C@@H](CC)NC(=O)C[C@H](CC)C(C)C 410118867 IVEACGSKKKKVCH-QWHCGFSZSA-N 225.376 3.530 30 20 BHED C[C@H]1C[C@H](NCC(C)(C)CC#N)c2ccccc21 414165997 MTTMRSVRQFUGJV-WFASDCNBSA-N 242.366 3.764 30 20 BHED CCC[C@H](CC)S[C@H]1CC[C@@H](C#N)C1 450939284 KTTXACAWKISXFH-WOPDTQHZSA-N 211.374 3.991 30 20 BHED C=CCCCC(=O)NC[C@H](CC)CCCC 479522115 MPJKWIFLJHBTPG-CYBMUJFWSA-N 225.376 3.675 30 20 BHED C=CCC1(C(=O)NC[C@H]2CCC[C@@H](C)C2)CCC1 479632942 CTOVYOXZFPPCEO-KGLIPLIRSA-N 249.398 3.675 30 20 BHED C=CCC(C)(C)CNC(=O)CC(C)(C)C1CC1 489911253 ZFOIWMKPJBLSLL-UHFFFAOYSA-N 237.387 3.531 30 20 BHED CC[C@H](CC#N)N[C@@H]1CCc2ccc(Cl)cc21 574581587 OXFZLGCJVYFEQF-TZMCWYRMSA-N 248.757 3.609 30 20 BHED C=CCC1(c2nc([C@H]3C[C@@H]3C)no2)CCCC1 582946727 RKJZGLYQIYKFGV-QWRGUYRKSA-N 232.327 3.581 30 20 BHED C[C@H](CCC#N)CNCC(C)(C)C1=CCCC1 602686180 BQLIKZPWLGMGND-CYBMUJFWSA-N 234.387 3.652 30 20 BHED CCc1ccc(C(C)=NNC2CCCC2)s1 727652509 QEURQLYBULSRJZ-UHFFFAOYSA-N 236.384 3.567 30 20 BHED C=CCCOC(=O)CCCC1CCCCC1 729072370 KAQONWZHOYBAQL-UHFFFAOYSA-N 224.344 3.856 30 20 BHED Clc1ccc(CNN=C[C@@H]2CC=CCC2)cc1 764718101 JVHAUEKRKAEOAH-GFCCVEGCSA-N 248.757 3.772 30 20 BHED C=CCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C(C)C 768547912 TVEGSWQVMOOHFZ-JSGCOSHPSA-N 233.355 3.799 30 20 BHED CC(C)[C@H]1CCCC(=NNc2ccccn2)C1 794470385 FIQGYEWDBRPTIH-LBPRGKRZSA-N 231.343 3.696 30 20 BHED C[C@@H]1C[C@H]1c1ccc(C=NNCC2CCCC2)o1 808006235 QGJSHYXAHAXKIP-BXUZGUMPSA-N 246.354 3.517 30 20 BHED Cl/C=C\CON=C1CC[C@@H]1c1ccccc1 811669343 DIPPLAKKWWPXQL-BPLIQOMESA-N 235.714 3.689 30 20 BHED CC(=NOC1CCC1)c1cc(C)ccc1C 812235208 ARTDFZDXOUKBGT-UHFFFAOYSA-N 217.312 3.597 30 20 BHED C/C(=C/Cl)CS[C@@H]1CC[C@@H](C#N)C1 829541750 BYRJBGDOPBSHAD-MMIMJOASSA-N 215.749 3.554 30 20 BHED CCCCCC(C)=NNc1ncc(F)cc1F 835022291 GCQZBHKOAQVRAL-UHFFFAOYSA-N 241.285 3.728 30 20 BHED CC[C@@H](CC1CCCC1)C(=O)OC1(C#N)CCC1 842319045 MQFLCEQIHZBRPE-ZDUSSCGKSA-N 249.354 3.582 30 20 BHED C=C(C)CON=C[C@H](C)c1ccc(F)cc1 844619211 VAWGHSQICDPERE-NSHDSACASA-N 221.275 3.508 30 20 BHED C=C[C@H](C)ON=C(CC)Cc1cccs1 844625212 PWVBOUUGJLUAPW-JTQLQIEISA-N 223.341 3.648 30 20 BHED CCC[C@@H](C)[C@@H](C)OC(=O)C(C#N)(CC)CC 860677579 NMDBNRQCGAFHPS-VXGBXAGGSA-N 239.359 3.684 30 20 BHED C[C@H]1[C@H](C)CCC[C@H]1CNC[C@H](C)CCC#N 1659009261 JFYOTVOJDYQKLR-KBXIAJHMSA-N 236.403 3.588 30 20 BHED N#Cc1ccc(COc2ccccc2Cl)cc1 11834249 YAKYYVBKACJDRV-UHFFFAOYSA-N 243.693 3.791 30 20 BHED N#Cc1ccc(SCc2cccc(F)c2)cc1 79647997 NRUVVLBUUUVKIG-UHFFFAOYSA-N 243.306 3.990 30 20 BHED CC[C@H](C)[C@H](C)Nc1ccc(F)cc1C#N 82516482 XJLGVKFFSQQCEN-UWVGGRQHSA-N 220.291 3.544 30 20 BHED CCCCCCC[C@H](C)NC[C@H]1CCCOC1 103108642 ROSJLKJOIXZVFL-LSDHHAIUSA-N 241.419 3.752 30 20 BHED CCCCCCCCCOC(=O)c1ccncc1 138773002 LNSLZFGNVRHPJG-UHFFFAOYSA-N 249.354 3.989 30 20 BHED CCc1ccc([C@H]2CCCCCN2CCC#N)o1 150725562 KEKKIJNBJGAPRT-CQSZACIVSA-N 246.354 3.673 30 20 BHED C=C[C@@H](C)N[C@@H](CCC)c1ccccc1 157216655 RCMWTAIQOSMYOF-OCCSQVGLSA-N 203.329 3.692 30 20 BHED C=C(Cl)CN[C@@H](C)CCc1cccc(C)c1 161744007 KFMWWVVOEMNACP-ZDUSSCGKSA-N 237.774 3.658 30 20 BHED C[C@@H](NC[C@H](C)C(C)(C)C)c1cccc(C#N)c1 162670942 AXRHDVQFOLWYPG-QWHCGFSZSA-N 244.382 3.891 30 20 BHED Cc1coc(S[C@H](C#N)C2CCCCC2)n1 188363206 QSERAFFTVBVREQ-LLVKDONJSA-N 236.340 3.548 30 20 BHED C=CCC1(C(=O)N2CC[C@H](C)C[C@@H](C)C2)CCC1 189712024 OYGIDEXUXMKGDC-UONOGXRCSA-N 249.398 3.627 30 20 BHED SCc1ccc(Br)c(Cl)c1 230278128 BCFHUMRUHOXFNU-UHFFFAOYSA-N 237.549 3.532 30 20 BHED COc1cc(C)c(NCCC(C)(C)C#N)cc1C 288709064 KQYGYDZPSVBZSB-UHFFFAOYSA-N 246.354 3.664 30 20 BHED Cc1cc(C#N)cc(NCc2ccsc2C)c1 308113811 SYJVUEBIZQORSQ-UHFFFAOYSA-N 242.347 3.849 30 20 BHED C=C(C)CCNc1ccc2sc(C)nc2c1 309541423 GKMRIMLQTFORGN-UHFFFAOYSA-N 232.352 3.983 30 20 BHED N#Cc1c(F)cccc1N[C@@H](C1CCC1)C1CC1 325062353 XPSKZCCEILJHOX-HNNXBMFYSA-N 244.313 3.688 30 20 BHED C=CC[C@@H](CC)NC(=O)Nc1c(C)cccc1C 341470915 URVGSAOYWXPXMA-CYBMUJFWSA-N 246.354 3.780 30 20 BHED CC[C@@H]1CC[C@@H](C)N1Cc1ccc(CC#N)cc1 343707317 HSAOHUMNRNAACI-CZUORRHYSA-N 242.366 3.516 30 20 BHED Cl/C=C/CON=Cc1sccc1Cl 379377874 ZGPRRHVMKUTBAV-NJGREUEQSA-N 236.123 3.505 30 20 BHED C=C(Cl)CN[C@@H]1CC(C)(C)c2ccccc21 393779525 PUUNEYPCDTZFDU-CYBMUJFWSA-N 235.758 3.751 30 20 BHED C=C(Cl)CN[C@H]1CC(C)(C)c2ccccc21 393779526 PUUNEYPCDTZFDU-ZDUSSCGKSA-N 235.758 3.751 30 20 BHED CC(=O)[C@@H](C)SCCC1(C#N)CCCCC1 413002879 VKUUBUPWTKSVMU-GFCCVEGCSA-N 239.384 3.561 30 20 BHED C=CCC[C@H](N[C@@H]1CCCC[C@H]1F)C1CC1 414298644 ZFKMAUNIUTXGIG-HZSPNIEDSA-N 225.351 3.602 30 20 BHED C=C(CC)CNC(=O)[C@@H](c1ccccc1)C(C)C 456809499 BYWLAMJMVJRLNJ-OAHLLOKOSA-N 245.366 3.509 30 20 BHED C=CCC[C@H](CC)NCC1(CC)CCOCC1 462117509 CCOQMERXKXBBCT-AWEZNQCLSA-N 239.403 3.528 30 20 BHED C=CC[C@@H](CC)N[C@@H]1CCc2c(C)cccc21 467404377 KDWYQVMUAILAMW-CZUORRHYSA-N 229.367 3.927 30 20 BHED C=CC[C@H](CC)N[C@H]1C[C@H](OC(C)C)C1(C)C 467411052 LZYGZMYLLKHNPL-IHRRRGAJSA-N 239.403 3.523 30 20 BHED C=CCCC(=O)Nc1cc(Cl)cc(Cl)c1 523955417 NWOZUIBIFHFZHX-UHFFFAOYSA-N 244.121 3.898 30 20 BHED C=CCCCN1CCCC[C@H]1[C@H](C)CC 525327910 NTFMYZHAWNMVPE-KGLIPLIRSA-N 209.377 3.853 30 20 BHED C/C=C\c1ccc(NCc2ccc(C#N)o2)cc1 573954811 QIIDRHJWICSHJV-IHWYPQMZSA-N 238.290 3.796 30 20 BHED N#CCCC1CCN(CCCC2CCCC2)CC1 592135539 YAXCFMYVUJIRKG-UHFFFAOYSA-N 248.414 3.973 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)c1ccccn1 648436648 LAWIVANNMGEVCP-KGLIPLIRSA-N 232.371 3.867 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)C1CC1 657530696 RFNYNZBCSOYULK-BNOWGMLFSA-N 207.361 3.509 30 20 BHED C=CCCC(C)(C)NCc1cn(C(C)C)nc1C 657804935 HUIGAPHJSWLKIS-UHFFFAOYSA-N 249.402 3.607 30 20 BHED CCc1ccccc1NN=C1CCC[C@H]1C 729141615 BGGPGQBRSOUQLI-LLVKDONJSA-N 216.328 3.837 30 20 BHED CCc1ccc(/C=C/C(=O)c2cccnc2)s1 731155944 XIFGOASMHYQFEM-BQYQJAHWSA-N 243.331 3.602 30 20 BHED CCCCC(COC)=NN[C@@H](C)c1ccccc1 737430266 NPBIATRJNCYQGE-ZDUSSCGKSA-N 248.370 3.530 30 20 BHED CCCCCC[C@H](C)CC(=O)O[C@@H](C#N)CC 753429058 WZTJDSZBSFTBSP-QWHCGFSZSA-N 239.359 3.828 30 20 BHED N#Cc1cccc(NN=C/C=C/c2ccccc2)c1 767336543 RCXIAAUBBQVBBJ-KBPSOVHSSA-N 247.301 3.669 30 20 BHED CC[C@H]1C[C@@H](C)CCC1=NNC1CCCC1 769573137 AMEAPQUQKZDBSL-RYUDHWBXSA-N 222.376 3.721 30 20 BHED CCOCCON=C(C)c1ccc(C(C)C)cc1 774436649 KRPLHZZTQYBAPG-UHFFFAOYSA-N 249.354 3.587 30 20 BHED CCC(C[C@H](C)CC)=NOCCSC 794576100 BXINKQMJCDWACY-SNVBAGLBSA-N 217.378 3.568 30 20 BHED CC[C@H]1CCC[C@H](C=NOC2CCC2)C1 812235917 RYWBEDIMAANGOF-RYUDHWBXSA-N 209.333 3.758 30 20 BHED C1CC(ON=C2CCC[C@H](C3CC3)C2)C1 812236519 OKEVZZWTPPKHEV-NSHDSACASA-N 207.317 3.512 30 20 BHED COc1ccc([C@H](C)C(C)=NOC(C)C)cc1 835000824 RXNMJZBZSKMASA-LLVKDONJSA-N 235.327 3.600 30 20 BHED C(=NOCc1cccc2ccccc12)C1CC1 853735535 WEQMOLDMFLEXLC-UHFFFAOYSA-N 225.291 3.752 30 20 BHED CC(=NNc1ncccc1Cl)c1ccccc1 917548518 BEZDBHHSSHGGNT-UHFFFAOYSA-N 245.713 3.571 30 20 BHED CCCCCCCCCN(C)C(=O)[C@H]1C[C@H]1C 918397387 BNRYACNSAITGKO-KGLIPLIRSA-N 239.403 3.851 30 20 BHED CC(Cc1ccc(C)cc1)=NOC/C=C/Cl 1323949634 VEOBHAAYNBKXSA-UUOXLLFDSA-N 237.730 3.683 30 20 BHED C=C(C)CCC(=O)NCC(C)(C)C1=CCCC1 1339031553 YORSOYJAGMURAG-UHFFFAOYSA-N 235.371 3.595 30 20 BHED C=C(C)CCC(=O)OCc1ccc2[nH]ccc2c1 1344283977 LPQOFAKSAHLZMX-UHFFFAOYSA-N 243.306 3.567 30 20 BHED C[C@@H]1CC(C)(C)CC[C@@H]1Nc1cccc(C#N)n1 1642370807 VJCYTGDNMUULMU-YPMHNXCESA-N 243.354 3.580 30 20 BHED C#Cc1cccc(N[C@H](C)CCCC)c1 37185160 FRVUTLZVBHQPIV-GFCCVEGCSA-N 201.313 3.659 30 20 BHED N#CCCCCSc1ccccc1F 42227267 HNYDQXXBBIRNKA-UHFFFAOYSA-N 209.289 3.612 30 20 BHED CC[C@@H]1CCCC[C@@H]1NCc1ccccc1C#N 42579576 VFBJKSHNFUPLHI-CJNGLKHVSA-N 242.366 3.617 30 20 BHED Cc1ccccc1CSc1cc(C#N)ccn1 48087297 OWTWMZRTDBEASQ-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C[C@H](c1ccccc1F)N(C)CCCCC#N 61559620 QIPGMCVUTANLFD-GFCCVEGCSA-N 234.318 3.512 30 20 BHED N#Cc1cccc(Cl)c1N1CCC2(CCC2)C1 131343778 LJYUOILAALTQIR-UHFFFAOYSA-N 246.741 3.592 30 20 BHED C=CCCCCCN(C)Cc1ccc(C)nc1 153920696 LVYHVUXMRADFTC-UHFFFAOYSA-N 232.371 3.568 30 20 BHED C=CC[C@@H](C)NCc1c(C)oc2ccccc12 155947853 LPEHNJQYIQWNFA-LLVKDONJSA-N 229.323 3.795 30 20 BHED C=C[C@H](C)N[C@H](CC)c1ccc(C)cc1 157223582 ZEQSHIWJFZEZOU-GXTWGEPZSA-N 203.329 3.610 30 20 BHED C=CCCCC(=O)Nc1cc(Cl)ccc1F 177493035 QXFVPSSYAYNGIN-UHFFFAOYSA-N 241.693 3.774 30 20 BHED C[C@H](NCCCC#N)c1cc2ccccc2s1 184366776 ANMOYOZYJAVBFE-NSHDSACASA-N 244.363 3.856 30 20 BHED CCc1ccccc1N[C@H]1CCC[C@@H](C#N)C1 185722058 ZOZFDQGXWIALKX-OCCSQVGLSA-N 228.339 3.743 30 20 BHED CCC1(CN[C@@H]2CCC[C@@H](C#N)C2)CCCC1 185855918 RFVROLUKCSCRTI-ZIAGYGMSSA-N 234.387 3.629 30 20 BHED CCCC1(CN[C@@H]2CCC[C@@H](C#N)C2)CCC1 185857577 FCQZAXXAODKNEE-ZIAGYGMSSA-N 234.387 3.629 30 20 BHED C#CCCCCN[C@H](C)c1cc(C)cc(C)c1 222285951 PDZYJRDAHLTZAA-OAHLLOKOSA-N 229.367 3.758 30 20 BHED CC(C)C1(CNc2ccc(C#N)cc2F)CC1 227823376 XPFHFHKOYONWHA-UHFFFAOYSA-N 232.302 3.545 30 20 BHED Cc1ccc(N=Cc2ccccc2O)cc1F 252462331 RPASICUGIQKHLY-UHFFFAOYSA-N 229.254 3.590 30 20 BHED CC(C)c1ccc(N(C)CC2(C#N)CC2)cc1 258950148 QRYVCFRXVJXLTD-UHFFFAOYSA-N 228.339 3.550 30 20 BHED N#C[C@@H](Sc1ccncc1)C1CCCCC1 269384971 ASYGLSKYOARGPI-CYBMUJFWSA-N 232.352 3.646 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1ccsc1 308897279 ZXXODTUWUWYWKJ-SDDRHHMPSA-N 223.385 3.999 30 20 BHED CC[C@@H]1C[C@@]1(NCCCC#N)c1cccc(C)c1 337419343 QJXZUTHPETZCTD-ZBFHGGJFSA-N 242.366 3.514 30 20 BHED CCCCN(C(=O)CCCC#N)c1ccccc1 361318197 IOWKHAOBHNUCON-UHFFFAOYSA-N 244.338 3.514 30 20 BHED C=C(CC)CSCc1nnc(C(C)C)s1 419437986 GYYMAXHNGVDSHW-UHFFFAOYSA-N 242.413 3.861 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 425148789 PBKCGQLZKMUSCN-SQWLQELKSA-N 249.398 3.674 30 20 BHED N#Cc1ccc(CSCC2CC2)c(Cl)c1 460868485 CJLKXAUGKGMVGX-UHFFFAOYSA-N 237.755 3.855 30 20 BHED CC#CCCN1CCC[C@@H]1/C=C\c1ccccc1 462334678 VCEDKHHPBGSZKR-MUSGIIIZSA-N 239.362 3.578 30 20 BHED CC#CCCOc1cccc(Cl)c1Cl 462358201 KCMKOISUVLWSAQ-UHFFFAOYSA-N 229.106 3.786 30 20 BHED C=CCCCC(=O)N1CCC[C@@H]1CC(C)(C)C 479577377 IJXMRVWVEAXCMY-CYBMUJFWSA-N 237.387 3.770 30 20 BHED C=C(C)CCN(CCC(F)(F)F)CC1CC1 509372956 PFVXFKLLANXFQZ-UHFFFAOYSA-N 235.293 3.617 30 20 BHED CC#CCCN(C1CC1)[C@@H](C)c1ccccc1 512264317 YMTAKXWNAVVRFD-AWEZNQCLSA-N 227.351 3.625 30 20 BHED CCC(CC)N(Cc1ccc(C#N)s1)C1CC1 536650204 QHYKLFCMPPVHMB-UHFFFAOYSA-N 248.395 3.773 30 20 BHED C=C(CC)CSCCCC1CCOCC1 583302534 DJELIFIXPRKFKP-UHFFFAOYSA-N 228.401 3.893 30 20 BHED C=C(CC)CNC(=O)C[C@@H](C)CC(C)(C)C 654376652 UVUBAEYEEMFVNI-GFCCVEGCSA-N 225.376 3.531 30 20 BHED C=C(CNC(=O)CC[C@@H](C)CC)c1ccccc1 672481841 DDPXAMSHHRHNGR-ZDUSSCGKSA-N 245.366 3.642 30 20 BHED CC[C@@H](N[C@H](C)CC(C)(C)C#N)C1CCCC1 695875454 YVYCNVZUEGYJJX-TZMCWYRMSA-N 236.403 3.873 30 20 BHED Cc1ccc(F)c(C=NNc2ccccc2F)c1 734978361 DVEZCBXERGZFBK-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C=C(C)COC(=O)[C@@H](C)c1cccc(Cl)c1 744040536 QJHVIZPTAHSVMH-JTQLQIEISA-N 238.714 3.563 30 20 BHED C=CCCC(CC)=NNc1ccccc1 750912198 LHTGYPIXEMCXCR-UHFFFAOYSA-N 202.301 3.831 30 20 BHED CCC(=NNc1cc(F)cc(OC)c1)C(C)C 759210049 MNNHSBKLDZBDQI-UHFFFAOYSA-N 238.306 3.668 30 20 BHED C=CCN(Cc1ccc(F)cc1C)C(C)C 768546676 CGFWOAGOVNEGTR-UHFFFAOYSA-N 221.319 3.531 30 20 BHED C[C@@H](NN=C1CC2(CCC2)C1)c1ccccc1 772841747 VEDROXBETIIIDC-GFCCVEGCSA-N 228.339 3.657 30 20 BHED C#CCCCCCC(=O)N(CC)c1ccccc1 779742744 QZFLIMAMDFYTLF-UHFFFAOYSA-N 243.350 3.623 30 20 BHED CC(=NOCC(C)C)c1csc(Cl)c1 787161931 GYICKDPNKBBRIO-UHFFFAOYSA-N 231.748 3.798 30 20 BHED CC(C)C(C=Nn1cnc2ccccc21)C(C)C 788976445 YPXJKVZSGWDRMQ-UHFFFAOYSA-N 243.354 3.798 30 20 BHED C#C[C@@H](CCC)NC(=O)[C@H](CC)CCCCC 791197444 NLSYUJWYJVWCHP-KGLIPLIRSA-N 237.387 3.511 30 20 BHED C[C@H](NN=C1CCC[C@H]1CCF)C(C)(C)C 793113260 CEWGVPMQVXJBGW-QWRGUYRKSA-N 228.355 3.526 30 20 BHED CC(=NN[C@@H](C)C(C)(C)C)c1ccccc1F 793113772 CLKQVBDMEVUKSW-NSHDSACASA-N 236.334 3.574 30 20 BHED C=CCCCCC[C@@H](C)NC[C@@]1(C)CCOC1 793543638 VYWSUQHYVZJDPS-HUUCEWRRSA-N 239.403 3.528 30 20 BHED CCCC[C@H](C)C(C)=NOCCSC 807985818 AHRUUDKRKYITFW-JTQLQIEISA-N 217.378 3.568 30 20 BHED CC(CCc1ccsc1)=NOC/C=C/Cl 811671546 HFIUDQCUMKQZKW-OFFZUMJXSA-N 243.759 3.826 30 20 BHED CC(C)[C@H]1CCCCC1=NOC1CCC1 812237346 VRCLRIZTHGOMPY-GFCCVEGCSA-N 209.333 3.758 30 20 BHED CCc1ccccc1NN=C1CC[C@@H](C)C1 814801186 AAVYUJCGRLWDED-LLVKDONJSA-N 216.328 3.837 30 20 BHED CC(C)CNN=C1CC[C@H](c2ccccc2)C1 814891854 BUNNZBVZBSHVHL-AWEZNQCLSA-N 230.355 3.556 30 20 BHED C[C@H](CCC#N)CN1CCC2(CCCC2)CC1 876689241 ATWHOZXEARIJGJ-CQSZACIVSA-N 234.387 3.582 30 20 BHED C[C@@H](Cc1ccsc1)/N=C\c1ccccc1O 918712027 FDXKUUXLCOQVAS-GPILYODUSA-N 245.347 3.504 30 20 BHED N#CC1(CSCc2ccc(Cl)s2)CC1 1116476026 SMHHPAUDMIQMGR-UHFFFAOYSA-N 243.784 3.938 30 20 BHED C[C@H]1CCCC[C@@H]1Nc1cccc(C#N)c1 19921972 FXIQAKOLYHLZRY-FZMZJTMJSA-N 214.312 3.549 30 20 BHED C=C(C)CSc1ccc(C(F)(F)F)cn1 48398239 FKDAFOPGPBHYSR-UHFFFAOYSA-N 233.258 3.769 30 20 BHED CC[C@H](Nc1ccnc(C#N)c1)C1CCCCC1 61812256 DWPURWGBRIAPHB-HNNXBMFYSA-N 243.354 3.724 30 20 BHED N#CCCCCN(CC1CC1)C1CCCCC1 69078921 PEIPCQHZCDLSFC-UHFFFAOYSA-N 234.387 3.725 30 20 BHED C[C@H](Nc1ccc(F)cc1C#N)c1ccccc1 71550094 PDWOHLLIPWKYAZ-NSHDSACASA-N 240.281 3.870 30 20 BHED C[C@H](N(C)CCCC(C)(C)C#N)C(C)(C)C 87608639 MHYMIIQHZMXGKI-LBPRGKRZSA-N 224.392 3.683 30 20 BHED C=CCCC(=O)N1CCC[C@H]1c1ccccc1C 102335647 IWMJTHPHNKNMEE-HNNXBMFYSA-N 243.350 3.625 30 20 BHED Cc1ccc([C@H](C)N(C)CCC(C)(C)C#N)cc1 157693845 QJPNVVSYWZRWKF-AWEZNQCLSA-N 244.382 3.928 30 20 BHED C=C(C)CN[C@@H](C)c1ccc(Cl)c(F)c1 163179565 HLQWQOIJFGXNIU-VIFPVBQESA-N 227.710 3.706 30 20 BHED C=CCCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 181828091 HWGZDBUHIYYGGU-GFCCVEGCSA-N 248.326 3.520 30 20 BHED Cc1cccc(/C=C/C(=O)c2cncc(C)c2)c1 184765100 DEGCUHVUPVFPAF-VOTSOKGWSA-N 237.302 3.595 30 20 BHED CCCN(Cc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 297775930 GKGVQSLQTPVITG-HZPDHXFCSA-N 242.366 3.591 30 20 BHED N#Cc1ccc(OCCC2CCCC2)c(F)c1 301636661 LBSLVNJZCLIXKV-UHFFFAOYSA-N 233.286 3.656 30 20 BHED Cc1ccc(Sc2ccc(C#N)c(C)n2)cc1 310184643 OOOPUHDLKHCOTG-UHFFFAOYSA-N 240.331 3.721 30 20 BHED O/C(=N/C1CCCC1)Nc1ccc2ccoc2c1 328597831 APIKOVMGRFBVNY-UHFFFAOYSA-N 244.294 3.701 30 20 BHED C[C@@H](C#N)N[C@H](CC(C)(C)C)c1ccc(F)cc1 361833628 IKVRUKDRIXTUEC-SMDDNHRTSA-N 248.345 3.805 30 20 BHED C=CC[C@@H](C)N[C@@H](CCC(C)C)C1CC1 379808587 YDGPDOGOMAGJCK-OCCSQVGLSA-N 209.377 3.755 30 20 BHED C=CC(C)(C)CN[C@H](C)Cc1cccc(F)c1 385079067 YFVKMHWTPHMLMZ-GFCCVEGCSA-N 235.346 3.559 30 20 BHED CC[C@H](CC#N)NCCC1CCCCCC1 393759350 ZENBJKFDFJDHEW-CQSZACIVSA-N 222.376 3.629 30 20 BHED CCN(CC(C)C)[C@H](C)c1ccc(C#N)cc1 409444851 SALQOIFBYQDFJY-CYBMUJFWSA-N 230.355 3.597 30 20 BHED Cc1cccc(S[C@@H]2CC[C@H](C#N)C2)c1 430093926 HVVKPWWMOFTIAR-WCQYABFASA-N 217.337 3.779 30 20 BHED C=CCC1(NCc2cscn2)CCCCC1 449575567 MYRCEEKJBSJRCW-UHFFFAOYSA-N 236.384 3.512 30 20 BHED C=C(CC)CNC(=O)[C@H](CCC)CC(C)C 453017101 NHBLCLRSUQWOOY-CYBMUJFWSA-N 225.376 3.531 30 20 BHED C=C(C)CCN[C@@H]1CCCOc2cc(C)ccc21 453316305 KCCQGSQDHZZGRY-OAHLLOKOSA-N 245.366 3.765 30 20 BHED C=CCCCC(=O)N([C@H](C)CC)[C@H](C)CC 467204048 CPUPYGKKVOSALK-CHWSQXEVSA-N 225.376 3.768 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc(CC)cc1 467425850 AATHPWICVPFVAY-HNNXBMFYSA-N 231.339 3.790 30 20 BHED CC[C@H](CC#N)N[C@@H]1CCC[C@@H]1CCC(C)C 468474444 FXPBLEYIZLCJJB-RBSFLKMASA-N 236.403 3.873 30 20 BHED Cc1ccc(/C=C/c2ncccc2C#N)cc1C 485987354 SEAXIXLWQKIGLQ-BQYQJAHWSA-N 234.302 3.741 30 20 BHED C=CCN(CC=C)C/C=C\c1ccc(F)cc1 505859293 TUTNPYILFGGEDF-WAYWQWQTSA-N 231.314 3.513 30 20 BHED CC(C)(C)[C@H]1CCCN1Cc1ccc(C#N)s1 514100078 TUNLGYNJYOXKHO-CYBMUJFWSA-N 248.395 3.630 30 20 BHED C=C(C)CN[C@H](CC(C)C)c1ccccc1OC 537176526 LRSMLZXKYVZDJW-OAHLLOKOSA-N 247.382 3.948 30 20 BHED C=CCC[C@H](CCC)NC[C@@H]1CCO[C@@H](C)C1 539968996 MRKCLOZHKXLGHR-ZNMIVQPWSA-N 239.403 3.526 30 20 BHED Cc1cc(-c2ccccc2C#N)c(F)cc1F 589962960 LIGYCCUADPEFSF-UHFFFAOYSA-N 229.229 3.812 30 20 BHED CC(C)(CC#N)CSc1cccs1 594886366 NWVUWHRSAJLJSY-UHFFFAOYSA-N 211.355 3.780 30 20 BHED CCc1ccc(NC[C@@H](C)CCC#N)cc1C 602583829 ZCOGJLZLNPHRTO-LBPRGKRZSA-N 230.355 3.909 30 20 BHED C=CCCSc1c(F)cc(F)cc1F 606755274 DOBQSFHLAWWMGM-UHFFFAOYSA-N 218.243 3.772 30 20 BHED C=CCCN(C)[C@@H](CC)c1ccccc1 606897105 RCGGJRCKCPJNSY-AWEZNQCLSA-N 203.329 3.646 30 20 BHED C=CCCC(C)(C)NC(=O)c1occc1C(C)C 622980787 LOGYBKXGFXXHCQ-UHFFFAOYSA-N 249.354 3.878 30 20 BHED C=CCC[C@H](CCC)N[C@H](C)Cc1ccccn1 655837283 RVLPNECLKFHECJ-CABCVRRESA-N 246.398 3.737 30 20 BHED C1CCCC(=NNC2CCCC2)CCC1 727652945 XCVHPXSHYUIUDJ-UHFFFAOYSA-N 208.349 3.619 30 20 BHED CCC(C=NNc1cc([N+](=O)[O-])ccc1C)CC 747061555 JWRQKQXXSYTVHY-UHFFFAOYSA-N 249.314 3.737 30 20 BHED C[C@@H](NCCCC#N)c1csc2ccccc12 754744255 SFKYKHPQKCUYAZ-LLVKDONJSA-N 244.363 3.856 30 20 BHED CC(C)C[C@@H](C)C=NNc1cc(Cl)ccn1 799113177 KRPZUNUQYWEEHR-SNVBAGLBSA-N 239.750 3.815 30 20 BHED CC[C@@H]1CCC1=NN[C@H]1CCCCC1(C)C 807985500 PYDILQJPKODRBE-YPMHNXCESA-N 222.376 3.721 30 20 BHED C#Cc1ccc(CNc2ccc(F)cc2C)cc1 809597183 LSUMBLINMHLUQW-UHFFFAOYSA-N 239.293 3.728 30 20 BHED Cc1ccc(C)c(C=NNc2ccccc2F)c1 812458554 GEMZOWDPQUKQPO-UHFFFAOYSA-N 242.297 3.889 30 20 BHED CC(C)[C@@H]1CCCC(=NOCC2CC2)C1 814243262 NWTXKHYWNOHHED-GFCCVEGCSA-N 209.333 3.615 30 20 BHED C=CCN(C(=O)Nc1ccc(CC)cc1)C(C)C 916706357 YTRQXOADGZWGKG-UHFFFAOYSA-N 246.354 3.677 30 20 BHED C#CCCCCC(=O)N1CCC[C@@]1(C)CC(C)C 1261269294 JVDRPLXBQQSQOQ-INIZCTEOSA-N 249.398 3.607 30 20 BHED C[C@H]1CCN(c2cccc(F)c2C#N)CC1(C)C 1642552080 WZESASSOVJBOSS-NSHDSACASA-N 246.329 3.570 30 20 BHED CC1(C)OB([C@@]23CCC[C@@H](CC2)C3)OC1(C)C 2090608700 JPVGTIDIZRVPRK-FZMZJTMJSA-N 236.164 3.803 30 20 BHED C=C(C)CSc1nc2cc(Cl)ccc2[nH]1 5817041 YXZOAPFDVAJFNW-UHFFFAOYSA-N 238.743 3.885 30 20 BHED CC(C)CCC[C@H](C)NCc1cccc(C#N)c1 20022629 RSCMSZWFMIKUMY-AWEZNQCLSA-N 244.382 3.863 30 20 BHED CCC[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 93704808 UVSOOILGCXFSOD-GFCCVEGCSA-N 248.395 3.632 30 20 BHED C=C(C)CN[C@@H](C)c1ccc(SC)cc1 120902415 KPAVCMKMIARLKU-NSHDSACASA-N 221.369 3.635 30 20 BHED CC(C)CC1(CNCc2cc(C#N)cs2)CC1 152888956 IBTDMDYWUXVONZ-UHFFFAOYSA-N 248.395 3.536 30 20 BHED C=CCN[C@@H](CC)c1ccc(Cl)s1 159665898 KKVVCHPMFPOJKD-QMMMGPOBSA-N 215.749 3.628 30 20 BHED C=C(C)CSCc1ccc(C#N)cc1C 186084245 FXXTVUWSQWKGRM-UHFFFAOYSA-N 217.337 3.676 30 20 BHED Cc1ccc(/C=C/C(=O)c2ccncc2)c(C)c1 192762362 BSQDPBSHWRLLOC-AATRIKPKSA-N 237.302 3.595 30 20 BHED CC(C)[C@H](C)SCCOc1ccc(C#N)cc1 231193357 DDLWNJAIKSHCLD-LBPRGKRZSA-N 249.379 3.715 30 20 BHED C=C(C)CNC[C@@H](c1ccccc1)C(C)C 232700867 BTTSITKQHCSWND-OAHLLOKOSA-N 217.356 3.592 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1cccc(OC)c1 310769434 CKFTXROMEVKWKY-CYBMUJFWSA-N 247.382 3.948 30 20 BHED C[C@@H](CCC#N)N1CCC2(CCCCC2)CC1 351267965 JHPBFTWTEAKENT-AWEZNQCLSA-N 234.387 3.725 30 20 BHED C=C(CC)CSCc1c(CC)noc1C 358640796 YPJNMYSBZJWGFZ-UHFFFAOYSA-N 225.357 3.745 30 20 BHED C=C1CCN(Cc2ccsc2Cl)CC1 361571883 OOWZSEQMCAFFAJ-UHFFFAOYSA-N 227.760 3.554 30 20 BHED C=C(C)CCN[C@H](C)[C@H](C)c1ccccc1 381492053 YJAREURRJIWTPO-UONOGXRCSA-N 217.356 3.734 30 20 BHED N#CC[C@H]1CCCN(CCC2=CCCCC2)C1 397741267 HOXYUYLKNOQPOQ-OAHLLOKOSA-N 232.371 3.503 30 20 BHED N#C[C@@H]1CC[C@H](Nc2cccc3c2CCCC3)C1 442855963 QQBWMAREOHXAAH-OCCSQVGLSA-N 240.350 3.670 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 467855085 MJPURLJRZPOESK-XSEXMBABSA-N 249.398 3.530 30 20 BHED C=CC[C@H]1N(C(=O)CC(C)C)CCCC1(C)C 470291198 XYKPTXVNOYOLRE-CYBMUJFWSA-N 237.387 3.626 30 20 BHED C=C[C@H]1CCCCN1C(=O)CC1CCCCCC1 488880338 QJPYKIVLQRCZBE-HNNXBMFYSA-N 249.398 3.914 30 20 BHED CCN(CCC#N)Cc1ccc(C2CCC2)cc1 507121016 MGVXRLAMQMNPBL-UHFFFAOYSA-N 242.366 3.690 30 20 BHED C=CCCSCCCOc1ccc(F)cc1 523520580 YTNKYNPJMWENRW-UHFFFAOYSA-N 240.343 3.904 30 20 BHED C=C(CC)CSCc1ccccc1[N+](=O)[O-] 539095400 ZNSXWRXKBJGPGA-UHFFFAOYSA-N 237.324 3.794 30 20 BHED CCN(Cc1ccc(C#N)c(C)c1)C1CCCC1 551403594 JVMSNLBITOZNJF-UHFFFAOYSA-N 242.366 3.631 30 20 BHED C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1Cl 576805669 BXPFCRJRTNJABF-IJLUTSLNSA-N 248.757 3.683 30 20 BHED N#CC1(CSCCCC2CCC2)CC1 596397421 XYAULWRMZNHDLT-UHFFFAOYSA-N 209.358 3.604 30 20 BHED C=C(C)CCNC(=O)Nc1ccc(C2CC2)cc1 652818058 WEHHZKPVTZAPEE-UHFFFAOYSA-N 244.338 3.652 30 20 BHED CC(CSC(C)(C)C)=NOCC(C)C 749626377 RDXDPXUQZKEXID-UHFFFAOYSA-N 217.378 3.567 30 20 BHED C=CC[C@H](N[C@@H]1CCC(C)(C)C1)c1ccncc1 753669705 NJIUBCGQAOBJQO-CABCVRRESA-N 244.382 3.867 30 20 BHED Cc1c(NN=CCC(C)(C)C)cccc1[N+](=O)[O-] 755699233 VGTZOVRWQSIFOP-UHFFFAOYSA-N 249.314 3.737 30 20 BHED N#Cc1cccc(OCc2ccc(CF)cc2)c1 777532230 PXEWIFPECCUVFG-UHFFFAOYSA-N 241.265 3.607 30 20 BHED CC[C@@H](C)NN=Cc1csc2ccccc12 790186904 CSOCXJBIVYMRGX-SNVBAGLBSA-N 232.352 3.623 30 20 BHED C=C(C)CCOC(=O)c1occc1C(C)C 793160078 GGJOJNQKZNTSEW-UHFFFAOYSA-N 222.284 3.526 30 20 BHED CC[C@H](C)CON=Cc1ccc2cnccc2c1 793164615 WIDVASQFDHXJBE-LBPRGKRZSA-N 242.322 3.631 30 20 BHED CSCCON=C1C[C@@H](C)c2c(C)cccc21 794574053 RVMLMUKAFBFSRV-LLVKDONJSA-N 249.379 3.586 30 20 BHED CC1(C)CCCC[C@H]1NN=C1CCC[C@H]2C[C@@H]12 800816785 DLEAUCSBPGVDAE-OUCADQQQSA-N 234.387 3.721 30 20 BHED CC(=NOC/C=C\Cl)c1cc2ccccc2o1 811668110 KSTOLVMMZNEGJD-AUZNDJKCSA-N 249.697 3.926 30 20 BHED C[C@@H]1CCC(=NNc2ccc(F)cc2F)C1 814686514 KTXALMBFROOSQB-MRVPVSSYSA-N 224.254 3.553 30 20 BHED C=CCC(C)(C)CNC(=O)CCCCCC 817457596 UWSCAAMKXLAKJH-UHFFFAOYSA-N 225.376 3.675 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)c1ccc(C)cc1C 823052801 WHFXNGGAFKOCEK-UHFFFAOYSA-N 245.366 3.869 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)Cc1cccnc1 897966822 HJKLHVHMUVSAGF-GJZGRUSLSA-N 246.398 3.737 30 20 BHED CCCN(CC(C)C)[C@@H](C)c1cccc(C#N)c1 1190642537 DDFCATBXECRGFU-AWEZNQCLSA-N 244.382 3.987 30 20 BHED CC[C@H](Nc1cccc(CC#N)n1)C1CCCC1 1324722138 VITRQOUIBAKELD-AWEZNQCLSA-N 243.354 3.528 30 20 BHED C=C(Cl)CN1CC[C@H](C(C)(C)C)C[C@@H]1C 1645971732 XDPFQJOIJVVHPP-RYUDHWBXSA-N 229.795 3.886 30 20 BHED CC[C@@H](N[C@@H](C)CCC#N)c1ccc(F)cc1 1657891617 BXJVKCUCNJCMPG-SMDDNHRTSA-N 234.318 3.559 30 20 BHED C[C@H](NCc1ccc(C#N)cc1)C1CCCCC1 37748449 IBHXVVLUCUGFCK-ZDUSSCGKSA-N 242.366 3.617 30 20 BHED C=CCOc1ccccc1CN[C@@H](C)[C@@H](C)CC 42553775 IZIUEWYCJQANGX-KBPBESRZSA-N 247.382 3.776 30 20 BHED CCCc1ccccc1Nc1ccnc(C#N)c1 61815083 URQIDRTVCNGKAO-UHFFFAOYSA-N 237.306 3.649 30 20 BHED N#Cc1cc2ccccc2nc1-c1ccccc1 91691755 QHGZYCJXIVNYPN-UHFFFAOYSA-N 230.270 3.773 30 20 BHED CCCCCCCNC(=O)c1ccc(C)cc1 100037552 PRHRTVHVXHBXTM-UHFFFAOYSA-N 233.355 3.695 30 20 BHED CC[C@H](Cc1ccccc1)N(CC)CCCC#N 120614588 SFMMNJXJIKXVSP-MRXNPFEDSA-N 244.382 3.633 30 20 BHED C=CCC[C@H](C)N[C@H](C)Cc1ccc(C)s1 126843280 JJOKAVOEWWRHFT-NWDGAFQWSA-N 237.412 3.932 30 20 BHED Cc1cc(F)cc(NCc2ccccc2C#N)c1 175111934 WLCQUALJQINTEC-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=CCCCC(=O)N[C@@H](C)c1ccc(C)cc1 175237437 VKCRNYUEYKVEGW-ZDUSSCGKSA-N 231.339 3.529 30 20 BHED CC#CCCCC(=O)N[C@@H](C)CCCCCC 184995138 FRHXECDNRHCQCJ-AWEZNQCLSA-N 237.387 3.655 30 20 BHED C=C(C)COC(=O)CCc1ccc(C(C)C)cc1 195681870 DESKDPGPIWENSA-UHFFFAOYSA-N 246.350 3.862 30 20 BHED N#CC[C@H]1CCCN(CCC2CCCCC2)C1 260280470 YIFWFPXXNAUJBW-OAHLLOKOSA-N 234.387 3.582 30 20 BHED Cc1cccc(CN(CCCC#N)CC(C)C)c1 346735250 QSKVMCUYKQRDER-UHFFFAOYSA-N 244.382 3.757 30 20 BHED C=C(C)CCN[C@@H]1C[C@H](C)c2ccccc21 386712635 PVFXCEWNVXUSTB-SWLSCSKDSA-N 215.340 3.791 30 20 BHED C=CC[C@H](CC)NC(=O)C1C[C@@H](C)C[C@H](C)C1 410138011 ZOBQLXCZUYBRDQ-OBJOEFQTSA-N 237.387 3.530 30 20 BHED C=CCCCSCCN(C)Cc1ccccc1 433048436 NCFXLDDUSLJGJB-UHFFFAOYSA-N 249.423 3.818 30 20 BHED C=CCCCC[C@@H](C)NCCc1ccncc1C 449214462 WTEBZBINTOOSBK-OAHLLOKOSA-N 246.398 3.657 30 20 BHED C=CCCCC[C@H](C)NCCC[C@@H]1CCOC1 449688753 HVXAHZDLLCDBEF-LSDHHAIUSA-N 239.403 3.528 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H](C)CCC=C(C)C 452540027 IKGFYNNHCOLLLX-ZDUSSCGKSA-N 237.387 3.840 30 20 BHED C=CCCCCNCc1cccc(OCC=C)c1 472035244 OGEMDLIDRSRVJH-UHFFFAOYSA-N 245.366 3.697 30 20 BHED C=CCSCc1cccc(OC(C)C)c1 522283031 RTIOUAFBYUWMPS-UHFFFAOYSA-N 222.353 3.893 30 20 BHED C=CC[C@@H](C)N[C@H](Cc1ccc(F)cc1)C(C)C 539073660 OUVCSCNTSYMXKD-CZUORRHYSA-N 249.373 3.947 30 20 BHED CCCN(CC1CCCCC1)CC1(C#N)CC1 539413488 ODVYGGZVWSNYOR-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=C[C@H](CC(=O)N(C)C(C)(C)C)c1ccccc1 567939825 AIRUPUQPYNNUNM-CYBMUJFWSA-N 245.366 3.603 30 20 BHED CSc1ccc(NC[C@H](C)CCC#N)cc1 602484180 OCNLMPNKOZWEHO-LLVKDONJSA-N 234.368 3.760 30 20 BHED CCCCCN[C@@H](C)c1ccc(C#N)c(F)c1 611465398 GQUMTFSIBNIXMV-NSHDSACASA-N 234.318 3.538 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H]1CCC[C@H]1CC 620855775 JGKLIKLNJPNPIW-CHWSQXEVSA-N 237.387 3.674 30 20 BHED C=CCC[C@@H](NCC1=CCCC1)c1ccco1 658290883 HKZVODCBQRHEPF-CQSZACIVSA-N 231.339 3.987 30 20 BHED C=CCCN(C)c1nc2ccccc2cc1C 682414634 DQCYBLBDDZZKMF-UHFFFAOYSA-N 226.323 3.556 30 20 BHED Cc1ccc(OCCCON=C2CCC2)cc1C 735489908 JMRSBYIEXZTXEI-UHFFFAOYSA-N 247.338 3.629 30 20 BHED CCCCCCCC(=O)N1C[C@@H](C)C[C@H]1CC 744765606 JJQXONXVDNDPGL-UONOGXRCSA-N 239.403 3.994 30 20 BHED C=C(Cl)CN1CC[C@@H](Cc2ccccc2)[C@H]1C 747532186 VGLFFBCPIPQTMA-HIFRSBDPSA-N 249.785 3.692 30 20 BHED CCc1ccccc1NN=C(C)C1CCC1 747633358 ORHIHYNZYCIHAO-UHFFFAOYSA-N 216.328 3.837 30 20 BHED C#C[C@H](CC)NC(=O)[C@@H](CC)CCCCCC 754390826 UQPGHWSMNJEZPI-UONOGXRCSA-N 237.387 3.511 30 20 BHED CCc1cnccc1C(=O)/C=C\c1cccs1 766771871 KXLRHMVXFIUGRS-WAYWQWQTSA-N 243.331 3.602 30 20 BHED C#CCCCN1CC[C@H](C)Sc2ccccc21 766907825 SYCAEHZPUAGLCO-ZDUSSCGKSA-N 245.391 3.791 30 20 BHED C=CCN(Cc1cc2cc(F)ccc2o1)C(C)C 768547839 RNNDQLJKZHOFEV-UHFFFAOYSA-N 247.313 3.968 30 20 BHED C#CC[C@H](N[C@@H](C)[C@H](C)CC)c1ccccc1 773117110 UAJHGUPQGJIXJB-YCPHGPKFSA-N 229.367 3.775 30 20 BHED C(=NOC1CCCCC1)C1CCCCC1 777457631 ZITKNYSSLNYBMH-UHFFFAOYSA-N 209.333 3.902 30 20 BHED C=CCN(c1ccnc2c(F)cccc12)C1CC1 784369371 TVWUVXAVONMPBV-UHFFFAOYSA-N 242.297 3.529 30 20 BHED C#C[C@H](CCC)NC(=O)[C@H](C)CCCCCC 791746623 NGKMHTOMWNURPA-ZIAGYGMSSA-N 237.387 3.511 30 20 BHED CC(C)SCCSc1ccc(C#N)cc1 800834549 IERYPUKPWRKWSX-UHFFFAOYSA-N 237.393 3.792 30 20 BHED CCCC(=NNc1ccccc1)c1cccnc1 814684286 LSWKUWKCSGGFFL-UHFFFAOYSA-N 239.322 3.698 30 20 BHED CCCC(=NN[C@H](C)C(C)(C)C)c1ccccn1 814937943 SKEUEABFUGJXKR-GFCCVEGCSA-N 247.386 3.610 30 20 BHED C=C(CC)CN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21 834901608 ADBIODIEQRMPFB-ZYHUDNBSSA-N 249.329 3.635 30 20 BHED C=CCCCCC(C)=NOCCOC(C)C 834981340 MYYIDBAFWIKAKJ-UHFFFAOYSA-N 227.348 3.550 30 20 BHED CC(CCc1ccccc1F)=NOC(C)C 834999838 GUZIOCMFKODFGT-UHFFFAOYSA-N 223.291 3.559 30 20 BHED N#CCCSCCSc1ccc(F)cc1 840212031 IEBJBDLWWAVGNT-UHFFFAOYSA-N 241.356 3.565 30 20 BHED Clc1ccc(/C=C/CON=CC2CC2)cc1 853734612 GSECXSGVPMECDR-GGWOPMTDSA-N 235.714 3.766 30 20 BHED CCCCCCCCC(=O)Nc1conc1C 880450747 QRRRUVIGCVCMGX-UHFFFAOYSA-N 238.331 3.672 30 20 BHED Cc1ccc(C=NNc2ccc(C)cc2)cc1 916250424 DRLMWRKCAFDGGI-UHFFFAOYSA-N 224.307 3.749 30 20 BHED Fc1cccc(NN=Cc2ccccc2Cl)c1 920384135 PWYJXVSTTVHODJ-UHFFFAOYSA-N 248.688 3.925 30 20 BHED CCOc1cccc(/C=N\C2CCCCC2)c1O 920943334 DEPMISAVRYDCCC-WJDWOHSUSA-N 247.338 3.543 30 20 BHED C[C@H](c1ccccc1)[C@@H]1CCCN1CCCC#N 932276923 YHFDPPBVRAARNR-ZBFHGGJFSA-N 242.366 3.558 30 20 BHED C=C1CCC(C(=O)N2CCC[C@H]2CCC)CC1 1120794637 FSKZTQAFSKGFAN-CQSZACIVSA-N 235.371 3.524 30 20 BHED Cc1cc(C#N)cc(N[C@@H]2CCC23CCC3)c1 1206269576 CLDVGJDBIYBXCH-CQSZACIVSA-N 226.323 3.611 30 20 BHED CC[C@@H]1C[C@H]1CN(C)[C@@H](C)c1cccc(C#N)c1 1643522647 ACZJODSGOFUSBO-BJJXKVORSA-N 242.366 3.597 30 20 BHED CC1(C)CCC/C(=C\c2ccccc2)C1=O 5190864 USWYHRHBCQIVDR-ACCUITESSA-N 214.308 3.849 30 20 BHED CC(C)CC[C@H](C)Nc1cccc(F)c1C#N 36138677 FDWITOFYKKTSHA-NSHDSACASA-N 234.318 3.934 30 20 BHED C[C@H](N[C@H](C)c1ccco1)c1cccc(C#N)c1 37260563 VXXMIHNHEYEXMQ-NWDGAFQWSA-N 240.306 3.563 30 20 BHED C[C@@H](NC1CCCCC1)c1cccc(C#N)c1 37509938 ONJMLWYYDGKIMG-GFCCVEGCSA-N 228.339 3.542 30 20 BHED C=C(C)CN(CC)Cc1cc(C)cc(C)c1 71805263 CORHIENETXXRDW-UHFFFAOYSA-N 217.356 3.701 30 20 BHED CC[C@@H](Cc1ccc(C)cc1)N(C)CCCC#N 75885824 XGOCGGWOVWKZJM-INIZCTEOSA-N 244.382 3.552 30 20 BHED CC[C@@H](NCC(C)(C)C#N)c1ccc(C)cc1 122301428 SRCKPKUQDDDBRK-CQSZACIVSA-N 230.355 3.586 30 20 BHED C=C(Cl)CN[C@@H]1CCC[C@H]1CCCC 129758212 NJNROBZFAGZSPH-VXGBXAGGSA-N 215.768 3.687 30 20 BHED C#CCCCSc1cccc(Cl)c1 161037786 VICQEZJEJINCDA-UHFFFAOYSA-N 210.729 3.846 30 20 BHED C=CCCN(CC)[C@@H](C)c1cccc(OC)c1 172621397 SPUDLMSFJMUFIR-ZDUSSCGKSA-N 233.355 3.654 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 183434162 PZGNMNUAXDIBGH-VNHYZAJKSA-N 249.398 3.696 30 20 BHED CCc1cccc(N=Cc2ccccc2O)c1 254292655 SOSSBDAIHZWKTQ-UHFFFAOYSA-N 225.291 3.705 30 20 BHED CC(C)C[C@H]1CCN(c2ccc(C#N)cc2F)C1 301439011 UGOPLSYIIPFFNZ-CYBMUJFWSA-N 246.329 3.570 30 20 BHED CCCCCCCCN[C@@H]1CSC[C@H]1C 308870574 SCCGOEVRUDNXDR-CHWSQXEVSA-N 229.433 3.688 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cc(Cl)cc(C)c1O 309608876 ZJQYTEMWFGSMLK-NXEZZACHSA-N 239.746 3.579 30 20 BHED C=C1CCN(Cc2c(F)cccc2Cl)CC1 353307532 LDBLSLHLJICRIQ-UHFFFAOYSA-N 239.721 3.631 30 20 BHED C#CC[C@@H](N[C@@H](C)CCC)c1ccccc1 390554936 QBFXCJDTKYKHHI-DZGCQCFKSA-N 215.340 3.529 30 20 BHED CC[C@H](CSCCCCC(C)(C)C#N)OC 419622041 GDPAXCDHOQLLJT-GFCCVEGCSA-N 243.416 3.865 30 20 BHED C=CC[C@H](C(=O)NC[C@@H](C)CC)c1ccccc1 421596179 OYNJKDQVEOUKGE-ZFWWWQNUSA-N 245.366 3.509 30 20 BHED C=CCC(C)(C)C(=O)N(C)[C@@H](C)CCCC 429950760 QJCHLTSUJUMHOQ-LBPRGKRZSA-N 225.376 3.626 30 20 BHED N#Cc1ccc(CNc2ccc3ccoc3c2)o1 443002052 RLOQZKNSZNZKJV-UHFFFAOYSA-N 238.246 3.510 30 20 BHED C[C@H]1CCN(CC2(C#N)CCC2)c2ccccc21 450513013 UETULUIMFRLQMM-ZDUSSCGKSA-N 240.350 3.694 30 20 BHED C=CCCN(C)Cc1ccc(Cl)c(C)c1 467369431 KVACWVGHTLATRZ-UHFFFAOYSA-N 223.747 3.656 30 20 BHED N#CCc1ccc(N[C@@H]2CCC[C@H]2C2CC2)cc1 468476693 WRKGBXLCTIPGII-JKSUJKDBSA-N 240.350 3.743 30 20 BHED N#Cc1c(F)cccc1CSCc1ccco1 488230757 JNHBOAYSOUXODU-UHFFFAOYSA-N 247.294 3.724 30 20 BHED CC(C)N(CC#Cc1cccc(Cl)c1)C(C)C 492878705 ZXNPZAFXQKHZND-UHFFFAOYSA-N 249.785 3.810 30 20 BHED C=C(C)CCN1CCSC2(CCCCC2)C1 509332250 RXADDPFZZRBZHQ-UHFFFAOYSA-N 239.428 3.704 30 20 BHED C=CCCCCSCC(=O)Nc1ccccc1 562539123 ILWAZONKFJLPGL-UHFFFAOYSA-N 249.379 3.715 30 20 BHED CCc1ccc(NC(=O)CCCCCC#N)cc1 588146887 FQGVLJJESYWQEC-UHFFFAOYSA-N 244.338 3.662 30 20 BHED C=CCC1(CN[C@H](C)c2c[nH]nc2C)CCCC1 651461917 DGUODZMBVPNCOS-GFCCVEGCSA-N 247.386 3.505 30 20 BHED C=CCCN(C)C(=O)CCCCC(C)(C)C 672250188 JYAXWOUBXLFTGJ-UHFFFAOYSA-N 225.376 3.627 30 20 BHED C#CCCCOc1ccc(F)c(C(F)(F)F)c1 686899187 ZRIURGNLOFXCAK-UHFFFAOYSA-N 246.203 3.637 30 20 BHED C=CCCN(C)c1ccc2ccccc2c1 739905749 XPQSTLQCJZXAQC-UHFFFAOYSA-N 211.308 3.852 30 20 BHED Cc1cc(C)c(NN=Cc2occc2C)c(C)c1 743445269 MIYNSEQVLLLQAQ-UHFFFAOYSA-N 242.322 3.959 30 20 BHED C=CCCCC(=O)N1CCC(C2CCCC2)CC1 748362197 CWDOKRLKBRCGEM-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C#CCCN1CC[C@H](c2ccccc2)[C@H](CC)C1 752857563 RULPPVDAFYMWLQ-WBVHZDCISA-N 241.378 3.525 30 20 BHED C=CCN(Cc1cscc1Cl)C(C)C 768546681 CPKHNBYQLJDGEX-UHFFFAOYSA-N 229.776 3.798 30 20 BHED C#CCCN[C@@H](CC1CCCC1)c1ccccc1 775551091 SQCCDSWSXWRZIF-KRWDZBQOSA-N 241.378 3.921 30 20 BHED FCCCCCON=Cc1ccc(Cl)cc1 789576489 PJIVFSLPVZAZEE-UHFFFAOYSA-N 243.709 3.830 30 20 BHED CON=CCCc1c(Cl)cccc1Cl 790154095 PANYMTZFHMITQO-UHFFFAOYSA-N 232.110 3.558 30 20 BHED CCCCOc1ccccc1C=NN[C@@H](C)CC 790187497 BUTNHKLIFBHHKQ-ZDUSSCGKSA-N 248.370 3.588 30 20 BHED CC(CC1CCC1)=NNCC1(C)CCCC1 793084980 SHJPWNAFRMKBBP-UHFFFAOYSA-N 222.376 3.722 30 20 BHED CC[C@@H]1CCC1=NNc1cccc(F)c1F 807974239 YWIRFFOKRPVDJG-MRVPVSSYSA-N 224.254 3.553 30 20 BHED CCCC(=NNc1ccccc1)c1ccccn1 814684479 VLPGDLIZIKTAIQ-UHFFFAOYSA-N 239.322 3.698 30 20 BHED C=CCCCCC(C)=NOCC(F)(F)F 834964717 XGSZLALFLBMBDD-UHFFFAOYSA-N 223.238 3.688 30 20 BHED N#CCCCCCC(=O)O[C@@H](C1CCC1)C1CC1 836046766 HVWYBWQZYPRNTI-HNNXBMFYSA-N 249.354 3.582 30 20 BHED CC/C(C)=C/C(=O)OCCCCC(C)(C)C#N 838043167 IZEWIPXHINAWFG-ZRDIBKRKSA-N 237.343 3.606 30 20 BHED C=C[C@@H](C)ON=C[C@H](C)c1ccc(F)cc1 844620918 ASNREUKKUCIHGH-WDEREUQCSA-N 221.275 3.506 30 20 BHED C=C[C@@](C)(CC)C(=O)OC[C@@H](CC)CC(F)F 849761175 CIETUUQMKURKGF-GWCFXTLKSA-N 248.313 3.813 30 20 BHED CC1=CC(=NNc2nccc3sccc23)CC1 915980202 PVLWLBBVXZEKQY-UHFFFAOYSA-N 243.335 3.804 30 20 BHED Cc1cccc(NN=Cc2c(F)cccc2F)c1 916255279 ODKWCNQIQDGETN-UHFFFAOYSA-N 246.260 3.719 30 20 BHED CC(C)CN(C[C@@H](C)CCC#N)CC(C)(C)C 1179941964 JDNHVVSCHWMUNE-AWEZNQCLSA-N 238.419 3.930 30 20 BHED Cc1ccc(Oc2ccncc2C#N)cc1Cl 1458436495 YWJWUEFZLYXJSK-UHFFFAOYSA-N 244.681 3.707 30 20 BHED CCC[C@H](Nc1cccc(C#N)n1)C1CCCC1 1472804164 WVZLMKUUMMZNTO-AWEZNQCLSA-N 243.354 3.724 30 20 BHED Cc1cc(CSc2ccc(C#N)cn2)cs1 1559358219 BZAMZYRUITWNMS-UHFFFAOYSA-N 246.360 3.616 30 20 BHED C=C[C@@](C)(O)CC/C=C(\C)CC(=O)C=C(C)C 14505787 NYBCPVODSGRKRC-XETPBLJFSA-N 236.355 3.575 30 20 BHED biogenic Cc1ccc(/C=C/C(=O)c2ccc(C#N)cc2)cc1 16405944 SLPVLDHRXYCFMH-DHZHZOJOSA-N 247.297 3.763 30 20 BHED C#CCNc1cccc(Oc2ccccc2)c1 49136512 NRYIKQYVLDGJOL-UHFFFAOYSA-N 223.275 3.524 30 20 BHED CC(C)CCC[C@@H](C)Nc1cc(C#N)ccn1 49146517 JODWULUYJRZAQM-GFCCVEGCSA-N 231.343 3.580 30 20 BHED N#Cc1cc(Cl)ccc1NC(C1CC1)C1CC1 52857884 CPOLWRCJDHCBJY-UHFFFAOYSA-N 246.741 3.812 30 20 BHED C[C@@H]1CCCC[C@H]1N(C)c1cccc(F)c1C#N 82190674 OXQAACZUVUHMEB-BXUZGUMPSA-N 246.329 3.712 30 20 BHED CC(C)S[C@@H](C)c1ccc(C#N)cc1 118444279 XIHFFMACUTXBGP-JTQLQIEISA-N 205.326 3.761 30 20 BHED CCCCCC[C@@H](C)NCc1ccc(C#N)o1 135121595 WONTYNWIYZYFPA-GFCCVEGCSA-N 234.343 3.600 30 20 BHED C[C@@H](NCc1ccc(C#N)s1)C1CCCCC1 135693589 PCMNBDYORMDXKI-LLVKDONJSA-N 248.395 3.678 30 20 BHED CCCCCCCC(=O)N1C[C@H]2CCC[C@H]2C1 153740636 GHZZYMKYJANSQO-OKILXGFUSA-N 237.387 3.605 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cccc(Cl)c1 157255349 DJRWIBLGJQINKU-UWVGGRQHSA-N 209.720 3.565 30 20 BHED C=CC[C@H](C)N[C@@H]1C[C@H](C)c2c(C)ccc(O)c21 168834477 PXYJDXHWHDLUQU-RWMBFGLXSA-N 245.366 3.803 30 20 BHED CCc1ccccc1N[C@@H]1CCC[C@@H](C#N)C1 185722038 ZOZFDQGXWIALKX-TZMCWYRMSA-N 228.339 3.743 30 20 BHED CC(C)=CCC[C@H](C)CCNC[C@@H](C)C#N 193312622 ZXLCRGUKVHJGRD-KBPBESRZSA-N 222.376 3.508 30 20 BHED C[C@@H](NCC(C)(C)CCC#N)C1CCCCC1 229694720 BOHBZXKBTXJWTL-CYBMUJFWSA-N 236.403 3.875 30 20 BHED C[C@H](NC[C@@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 230407526 KLAFFTSSGREAMS-VNHYZAJKSA-N 242.366 3.645 30 20 BHED CC(C)N(CCCCF)Cc1ccc(C#N)cc1 286149140 XHXVIZNBSUVHAR-UHFFFAOYSA-N 248.345 3.518 30 20 BHED C=CCCCC(=O)Nc1cccc(F)c1Cl 290261815 YYFWSBLVDZSJPG-UHFFFAOYSA-N 241.693 3.774 30 20 BHED C=CC(C)(C)c1nc([C@@H](C)c2cccs2)no1 297513947 CTHYSYDATHFEGF-VIFPVBQESA-N 248.351 3.747 30 20 BHED C=CCCCSC[C@@H]1CC1(Cl)Cl 308166521 VBKLJALYWUFDBL-QMMMGPOBSA-N 225.184 3.880 30 20 BHED C=C(CC)CNc1ccc(C)c(OC)c1C 309768038 JYBYDNUZCLZSBY-UHFFFAOYSA-N 219.328 3.690 30 20 BHED CC[C@H]1CCC[C@H]1NC1CCC(C)(C#N)CC1 336214446 SPVKYOMLOWPGLU-FGZQJIAISA-N 234.387 3.627 30 20 BHED N#Cc1cccc(Oc2ccc(Cl)cc2F)n1 336713821 RLUUDYFHWHPQHG-UHFFFAOYSA-N 248.644 3.538 30 20 BHED C=CCC[C@H](N[C@@H]1CCC1(C)C)C1CC1 380117013 PRQYZJXCHXHSKY-QWHCGFSZSA-N 207.361 3.509 30 20 BHED C=CC[C@@H](CC)N[C@H](C)CCc1ccc(O)cc1 393765914 BRIZQSPPTOFCEA-UKRRQHHQSA-N 247.382 3.658 30 20 BHED CC(C)(C#N)CCN1CC=C(C(C)(C)C)CC1 409445001 OUEGZSIWOISHRX-UHFFFAOYSA-N 234.387 3.604 30 20 BHED N#C[C@@H]1CC[C@H](N[C@@H]2CCCC23CCCCC3)C1 424327135 MPBBMCXXXJTYER-QLFBSQMISA-N 246.398 3.771 30 20 BHED CC(C)(C)CSCCOc1ccc(C#N)cc1 440585719 UHXHOBWVTCEVTG-UHFFFAOYSA-N 249.379 3.716 30 20 BHED C=C(CC)CN[C@H](C)CCc1ccsc1 449733085 GDMGJWOSVQZRFG-GFCCVEGCSA-N 223.385 3.625 30 20 BHED C=CCC[C@@H](CCC)NCCC1CCOCC1 462121262 NDXFILWWXCRRJG-OAHLLOKOSA-N 239.403 3.528 30 20 BHED C=C(C)CN(CC)C[C@@H]1C[C@H]1c1ccccc1 463070752 HCTAIXXZOQZFMD-HOTGVXAUSA-N 229.367 3.688 30 20 BHED CC[C@H]1CCC[C@H](CN(C)CC(C)(C)C#N)C1 565883823 RHJWGGITROKGTN-KBPBESRZSA-N 236.403 3.684 30 20 BHED C=CCOCCOc1cccc(Cl)c1Cl 583250857 JURUISZXJSOHPL-UHFFFAOYSA-N 247.121 3.575 30 20 BHED CCc1cccc(CNCC(C)(C)CCC#N)c1 584534530 UEOXBFSWVHFNOD-UHFFFAOYSA-N 244.382 3.669 30 20 BHED C[C@@H]1CC[C@H](N[C@H](C#N)c2ccccc2)[C@H](C)C1 595439991 LKRUHAOXLDLXJS-LUYZLQTOSA-N 242.366 3.666 30 20 BHED CCc1ccc(CN(C)C[C@@H](C)CCC#N)cc1 602434960 RDSCNKZPHRTKAI-AWEZNQCLSA-N 244.382 3.621 30 20 BHED C[C@@H](CCC#N)CN1C[C@@H](C)c2ccccc21 618888295 VNSCKWDEUFKEML-QWHCGFSZSA-N 228.339 3.550 30 20 BHED C=CCC[C@H](NCCc1ccoc1)c1ccco1 658200323 MZKFTQDVYCAAGP-AWEZNQCLSA-N 245.322 3.712 30 20 BHED C#C[C@@H](CC)NC(=O)[C@@H](CCC)CC1CCCC1 754683385 WKTMRFUHJHKMHT-GJZGRUSLSA-N 249.398 3.511 30 20 BHED C=C[C@@H](CC(=O)OCCC1CC1)c1ccccc1 758907575 KDYVSFZXELKGHZ-AWEZNQCLSA-N 244.334 3.690 30 20 BHED CCCCCCCC(=O)N1CCCC[C@@H](C)C1 772636095 QQGXZUIEDHPSOB-CQSZACIVSA-N 239.403 3.996 30 20 BHED CCC[C@@H](C=NOCCOCC)c1ccccc1 774417252 KTEHTYAYHQDNLN-HNNXBMFYSA-N 249.354 3.609 30 20 BHED CC[C@@H]1CCC[C@@H](C=NOCc2cccnc2)C1 783856717 IYYDWKXGXORTBM-ZIAGYGMSSA-N 246.354 3.800 30 20 BHED CCCOc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1 799723055 YKTYBARCXBPLGT-TZMCWYRMSA-N 244.338 3.580 30 20 BHED CCCCCCC(C)=NOCCOC(C)C 812240099 JLJWYSVZFUVUPX-UHFFFAOYSA-N 229.364 3.774 30 20 BHED C=CCCCOc1cc(F)c(Cl)cc1C=O 814783790 XDVYGUYPDOATKC-UHFFFAOYSA-N 242.677 3.637 30 20 BHED CC(C)CNN=Cc1ccc(C2CCC2)cc1 814892548 WYJZUBVDWQXYFJ-UHFFFAOYSA-N 230.355 3.534 30 20 BHED CC[C@@H](CC#N)NCc1ccccc1C(C)C 848903352 QJOSJXJFTATJLX-AWEZNQCLSA-N 230.355 3.592 30 20 BHED CC(C)(C)SCCCSCCCC#N 865288690 SYVYMTYOXFQQKS-UHFFFAOYSA-N 231.430 3.945 30 20 BHED Cc1ncccc1OCCCCC1(C#N)CCC1 902722066 DANVEMLWRKKGJV-UHFFFAOYSA-N 244.338 3.633 30 20 BHED CCCc1ccc([C@@H](C)NCC2(C#N)CC2)cc1 903102193 UDXFVYPVDWHCQW-CYBMUJFWSA-N 242.366 3.593 30 20 BHED C=CCC1(NCc2ncoc2C(C)C)CCCC1 1261641737 LZMXDDXJTUBZAB-UHFFFAOYSA-N 248.370 3.777 30 20 BHED C=CCCCCn1nc(C)nc1-c1ccccc1 1325383455 QQKGEFLBXNXNQW-UHFFFAOYSA-N 241.338 3.610 30 20 BHED C[C@H](S[C@H](C#N)C1CC1)c1ccccc1F 1643668884 QKORPBJVUQHPDO-TVQRCGJNSA-N 235.327 3.922 30 20 BHED Cc1ccc(C)c(SCCCC#N)c1 19847684 YGLFEASZGLJMPS-UHFFFAOYSA-N 205.326 3.699 30 20 BHED CC[C@@H]1CCCC[C@H]1NCCCC(C)(C)C#N 87597631 LEVUOKJFUAYFEB-ZIAGYGMSSA-N 236.403 3.875 30 20 BHED CC(C)(C#N)CCCSCc1ccco1 87609116 HLYQJGXEXXYVLM-UHFFFAOYSA-N 223.341 3.843 30 20 BHED CC[C@H]1CCCN1Cc1ccc(C#N)cc1Cl 162872531 BIXQALVKCVOOMQ-ZDUSSCGKSA-N 248.757 3.586 30 20 BHED N#Cc1cc(Cl)ccc1CNc1ccccc1 187710381 ABLQUCSQWDEJLM-UHFFFAOYSA-N 242.709 3.824 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)Cc1ccc(C)cc1 189836649 MIOKGLGYDUQRQB-MRXNPFEDSA-N 245.366 3.556 30 20 BHED C=CCCC[C@@H](C)NC(=O)C1(CC=C)CCC1 190016654 ZTBBOIUFPNZUBO-CYBMUJFWSA-N 235.371 3.594 30 20 BHED C#CCCNc1cc(Cl)c(F)c(Cl)c1 236145491 AHJKIYMZGUIERG-UHFFFAOYSA-N 232.085 3.568 30 20 BHED C=CCCCCNc1cccc(F)c1C(C)=O 302259984 PHNAADQHCZYPIC-UHFFFAOYSA-N 235.302 3.797 30 20 BHED CC1(C#N)CCC(NCC2=CCCCC2)CC1 334653075 QYSVGKRVMHZGTO-UHFFFAOYSA-N 232.371 3.549 30 20 BHED Cc1ccccc1NC1CCC(C)(C#N)CC1 334775757 YYNYYASOHDZBRM-UHFFFAOYSA-N 228.339 3.879 30 20 BHED C=CCC[C@H](NCC1(CC#N)CC1)c1ccco1 353589601 QZLCWQOBSODIPR-ZDUSSCGKSA-N 244.338 3.570 30 20 BHED C=CCN(Cc1ccccc1SC)C1CC1 358080333 YKIFTPMSVQPWSN-UHFFFAOYSA-N 233.380 3.559 30 20 BHED N#CCCCSCCCCC1CCOCC1 358478115 BKKMXLFTYONMTP-UHFFFAOYSA-N 241.400 3.620 30 20 BHED C=CCC[C@@H](CC)N[C@H]1CCCc2occc21 359914858 BWJYFMXRPNZYLG-OCCSQVGLSA-N 233.355 3.991 30 20 BHED C=CCCNc1ccc(F)cc1OC(C)C 390326723 JNUCPEBXRPZIGQ-UHFFFAOYSA-N 223.291 3.601 30 20 BHED C=C(Br)CN[C@@H](C)[C@@H](C)CCCC 393709857 GMHAZLYLRWTWOW-ONGXEEELSA-N 248.208 3.699 30 20 BHED C=CC[C@H](CC)NC1CC(c2ccccc2)C1 393758695 URXMWXKWFMDGRL-PCKAHOCUSA-N 229.367 3.877 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@H](C)C(CC)CC 410119597 DXMHVOMTCMCOJT-DGCLKSJQSA-N 225.376 3.530 30 20 BHED C=CC[C@@H](CC)NC(=O)CC1CCC(C)CC1 410146962 FPUUKXYRRLDSOT-JXQTWKCFSA-N 237.387 3.674 30 20 BHED C=CCCCC[C@H](C)NCCc1ccc(O)cc1 449102652 KQKNISIAIOJEDX-AWEZNQCLSA-N 247.382 3.659 30 20 BHED CC1(C#N)CCC(NCC(C)(C)C2CCC2)CC1 449483661 BVPIZQAUUQYNFO-UHFFFAOYSA-N 248.414 3.875 30 20 BHED N#C[C@H](SC1CCC1)C1CCCCC1 450985169 ICPYHXLVUREDNG-LBPRGKRZSA-N 209.358 3.745 30 20 BHED C=CC[C@@H](CC)NC(=O)N(C)[C@H](C)CCCC 460765329 BPPHZGQYCCPDMR-CHWSQXEVSA-N 240.391 3.561 30 20 BHED C=CCCCCCN(C)C(=O)[C@](C)(C=C)CC 468027293 CVVBRKHBTDGBMH-OAHLLOKOSA-N 237.387 3.794 30 20 BHED C=C(C)CNCc1ccc(C(F)(F)F)cc1C 512359334 FJGKZOBHVPDMFQ-UHFFFAOYSA-N 243.272 3.680 30 20 BHED CC1=CCC[C@H](C)[C@@H]1CN(CCC#N)C(C)C 527493063 JRXJPRQEROPWMY-LSDHHAIUSA-N 234.387 3.603 30 20 BHED CCCCC[C@@H]1CCCN1CCC(C)(C)C#N 540686445 LZHXOUWYUDFWLC-CQSZACIVSA-N 236.403 3.971 30 20 BHED CC(C)C(CN(CCC#N)CC1CC1)C(C)C 560256689 GXGWMHYBQOHZCC-UHFFFAOYSA-N 236.403 3.540 30 20 BHED C#Cc1cccc(NC(=O)C[C@@H](CC)C(C)C)c1 729306848 BMFZXUXAMFLUSS-CQSZACIVSA-N 243.350 3.679 30 20 BHED CCC(CC)NN=Cc1ccc2ccccc2c1 734366243 JTRCABMJIVPOHV-UHFFFAOYSA-N 240.350 3.952 30 20 BHED CCCNN=C1C[C@@H](C)C[C@@H](c2ccccc2)C1 749859533 WFQHUPLHMQLVGC-DZGCQCFKSA-N 244.382 3.946 30 20 BHED COc1ccc(NN=C2CCC[C@H]2C(C)C)cc1 750926470 YKYNOKNBKYYMDJ-AWEZNQCLSA-N 246.354 3.919 30 20 BHED CC(CC1CC1)=NNc1c(F)cccc1F 756829796 UJEQEAUQHCZXER-UHFFFAOYSA-N 224.254 3.553 30 20 BHED CC(C)[C@@H]1CCCCC1=NNc1ccccn1 764667228 YTBQMKKTOPBIDQ-LBPRGKRZSA-N 231.343 3.696 30 20 BHED C=CC[C@@H](N[C@H](C)C1CCCC1)c1ccncc1 766019927 NVFDVTONUMCISB-CZUORRHYSA-N 244.382 3.867 30 20 BHED C[C@@H]1CC(C)(C)CC1=NN[C@H]1C[C@H]2CC[C@H]1C2 766029247 KBDLOOAWLXXHRZ-VOAKCMCISA-N 234.387 3.577 30 20 BHED CCCC[C@H]1CCCC1=NOC1CCOCC1 774429879 FCAXNIFCJYBJHH-LBPRGKRZSA-N 239.359 3.528 30 20 BHED FC(F)(F)[C@H]1CCCC(=NOC2CCC2)C1 812235387 UQFHGZZDHMSXPS-QMMMGPOBSA-N 235.249 3.664 30 20 BHED CC(C)(C#N)[C@H]1CCCC1=NNc1ccccc1 814684035 AUCIHCVYAUXXTG-ZDUSSCGKSA-N 241.338 3.804 30 20 BHED C#CCCCCCc1nc(CC2CCCC2)no1 815711228 JLSAWORYKVTRRE-UHFFFAOYSA-N 246.354 3.538 30 20 BHED C#CCCCCCCNc1ccc2c(c1)COC2 877119241 VWZHXQAPNRJEPZ-UHFFFAOYSA-N 243.350 3.712 30 20 BHED C[C@H]1C[C@H](NCC2(C#N)CCC2)c2ccccc21 903035442 PHIIXIYYKVBETD-WFASDCNBSA-N 240.350 3.518 30 20 BHED C=CCN(C(=O)Nc1cccc(CC)c1)C(C)C 916707617 QFCKUBNLMUCSLX-UHFFFAOYSA-N 246.354 3.677 30 20 BHED C=C(C)CCC(=O)N(C)c1ccc(C)cc1C 1120789308 LVJJKYKSDRMPRH-UHFFFAOYSA-N 231.339 3.623 30 20 BHED C[C@H](CC(C)(C)C#N)NC[C@@H]1CCC[C@@H]1C1CC1 1308820810 NZHKOPNXCYENRE-VHDGCEQUSA-N 248.414 3.731 30 20 BHED CC(C)[C@H]1CCC[C@@H]1Nc1cc(F)cc(C#N)c1 1462503685 MFESPKGXWRHROJ-CABCVRRESA-N 246.329 3.934 30 20 BHED C=CCC1(C(=O)O[C@H](C)c2ccoc2)CCC1 1520469668 YAYAQXSIJQBLHY-LLVKDONJSA-N 234.295 3.630 30 20 BHED C#Cc1cccc(NCc2ccccc2C)c1 19876809 QDYRPOHMDPBJMF-UHFFFAOYSA-N 221.303 3.588 30 20 BHED C=CCS[C@H](C)C(=O)Nc1cc(C)ccc1C 114757001 AJZFTPLQPGOWHO-GFCCVEGCSA-N 249.379 3.550 30 20 BHED N#Cc1ccc(OCCC(F)(F)F)cc1Cl 125465544 OBLOYCZIRMEGLB-UHFFFAOYSA-N 249.619 3.543 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1ccco1 133085150 SPOJOKMRLJHALY-VXGBXAGGSA-N 207.317 3.675 30 20 BHED CCCCCCCOC(=O)CCc1ccccn1 175386789 ILOLKWKYRBZRLZ-UHFFFAOYSA-N 249.354 3.528 30 20 BHED CC(C)CSCc1cccc(C#N)c1F 223538048 WPGLWUYXQLTJFE-UHFFFAOYSA-N 223.316 3.587 30 20 BHED C=CCCCCCN(C)CC(=C)Br 308276432 VWDYMHTUXRUABZ-UHFFFAOYSA-N 246.192 3.573 30 20 BHED C=CCC[C@@H](C)NCC1CCC(F)(F)CC1 309529188 DBZNJSWZGZACRL-LLVKDONJSA-N 231.330 3.756 30 20 BHED C=CCC[C@H](NCC1(CC)CCC1)C1CC1 310002811 FKWMCKZUFIXCHT-AWEZNQCLSA-N 221.388 3.901 30 20 BHED C[C@H]1C[C@H](C)CC[C@@H]1Nc1cccc(CC#N)c1 313484386 VKGFIKHAHKGFBZ-WWGRRREGSA-N 242.366 3.989 30 20 BHED C=CCCCCNCc1cccc(OC(C)C)c1 385630690 SFYURHFYWVLKCV-UHFFFAOYSA-N 247.382 3.920 30 20 BHED C=CC[C@H](CC)N[C@H](C)Cc1ccccc1OC 393766541 CHDCDLSLNIBNDG-HIFRSBDPSA-N 247.382 3.571 30 20 BHED COC1(CCSCCC(C)(C)C#N)CCC1 419473417 JSCUNXCQYCLMDZ-UHFFFAOYSA-N 241.400 3.619 30 20 BHED CC[C@@H]1CCC[C@@H]1CNCc1ccc(C#N)s1 449437306 YTMQXXHFHFDKDW-VXGBXAGGSA-N 248.395 3.536 30 20 BHED C=CCCCC[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 449568709 CPZGWJSSUGPRDV-IHRRRGAJSA-N 247.386 3.613 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 499498073 LPTQIIXBVAMLPS-JHJVBQTASA-N 237.387 3.530 30 20 BHED C[C@H](CC#N)NCc1ccc(C2CCCC2)cc1 589734200 WSTZLGIZSBACCK-CYBMUJFWSA-N 242.366 3.736 30 20 BHED C[C@H](CCC#N)CN[C@@H]1CCC[C@@H]1C(C)(C)C 602692465 IFQGDXNNVZAXEC-HZSPNIEDSA-N 236.403 3.731 30 20 BHED C=CCCCN1CCC[C@@H]1Cc1ccc(C)cc1 605150900 AETOIEWLIUPOJJ-QGZVFWFLSA-N 243.394 3.968 30 20 BHED C=CC[C@@H]1CCCN(c2nccc3occc23)C1 664252907 FNJLUVRLGZETOL-GFCCVEGCSA-N 242.322 3.620 30 20 BHED CCCCCCCc1nc(CC2CC2)no1 743277917 WOPGBLPHOOYFDN-UHFFFAOYSA-N 222.332 3.535 30 20 BHED C=C(C)CCOC(=O)C1(c2cccc(C)c2)CC1 744304361 SCHUBPNQFMLPGA-UHFFFAOYSA-N 244.334 3.536 30 20 BHED CCCC1CCC(=NO[C@H]2CCCCO2)CC1 755817972 OOAISOMYNLYLQP-PYMCNQPYSA-N 239.359 3.876 30 20 BHED C#CCCCCN[C@H](C)c1cc(C)c(F)c(C)c1 773040172 KXABJHVSIUBEMN-CQSZACIVSA-N 247.357 3.897 30 20 BHED CC[C@@H]1CCC[C@@H](C=NOCC(F)(F)F)C1 783855885 PLWPPGAWSOFGAJ-NXEZZACHSA-N 237.265 3.768 30 20 BHED CC(C)Oc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 799720537 IYWNBNQKJBAPAR-JSGCOSHPSA-N 244.338 3.578 30 20 BHED CCc1ccccc1NN=C1CC[C@@H]1CC 807962927 KBMSCWGWJFZZKW-LBPRGKRZSA-N 216.328 3.837 30 20 BHED CC(C)[C@H]1CC(=NOCc2ccccc2)CS1 814791120 BQJOSMFTCKACNB-CQSZACIVSA-N 249.379 3.721 30 20 BHED C/C(=C/Cl)CS[C@@H]1CC[C@H](C#N)C1 829541749 BYRJBGDOPBSHAD-FGRQDEOASA-N 215.749 3.554 30 20 BHED CC(CC1CC1)=NNc1ccc(C)c(F)c1 853438951 VLVFLLMGUDWZOT-UHFFFAOYSA-N 220.291 3.722 30 20 BHED Fc1ccc(C2CC(=NOCC3CCC3)C2)cc1 853439122 BOXWUFFXDXQOTF-UHFFFAOYSA-N 247.313 3.876 30 20 BHED CC1(C)CCC/C(=C/c2ccncc2Cl)C1=O 863187115 XZNJCHFGPLFICB-FLIBITNWSA-N 249.741 3.898 30 20 BHED CCCCCCCCC(=O)NC[C@H]1C[C@H]1C 915289778 GCSJRVSDUVFBFS-CHWSQXEVSA-N 225.376 3.509 30 20 BHED CC(C)[C@H]1CCC[C@H]1Nc1cccc(C#N)c1 1658695020 BQLYZSUMVLDKBU-HUUCEWRRSA-N 228.339 3.795 30 20 BHED CCCC(CCC)C(=O)Nc1ccc(C#N)cc1 33649119 HXFIKJOGBQJAQR-UHFFFAOYSA-N 244.338 3.713 30 20 BHED C=C(Cl)CN[C@H](CC)c1cccs1 49530584 HMQZQUCUZSZWRN-SECBINFHSA-N 215.749 3.541 30 20 BHED CN(CCCC#N)Cc1ccc2ccccc2c1 49967903 DDKPCUMGBORVER-UHFFFAOYSA-N 238.334 3.575 30 20 BHED O=C(/C=C/c1cccs1)C1CCCCC1 61174689 YTPMCXHMQLKMRM-CMDGGOBGSA-N 220.337 3.911 30 20 BHED C=C(Cl)CSc1nc2ccccc2o1 61576969 XGADGTOETSRYNO-UHFFFAOYSA-N 225.700 3.672 30 20 BHED C[C@@H]1C[C@@H](c2ccccc2F)N(CCCC#N)C1 75900219 VADRZNQMXXOLCW-DOMZBBRYSA-N 246.329 3.512 30 20 BHED C=C(CC)CN[C@@H](C)c1ccc(Cl)cc1 85057969 ZCTDZGPWXWBHBQ-NSHDSACASA-N 223.747 3.957 30 20 BHED Oc1ccccc1/C=N\Cc1ccccc1Cl 103010662 SDAYZIWCTFHHKO-YBEGLDIGSA-N 245.709 3.665 30 20 BHED C[C@H]1CC[C@@H](NCC(C)(C)C#N)c2ccccc21 122324739 QTRMNVJYQBQZHT-SWLSCSKDSA-N 242.366 3.764 30 20 BHED C=CCC[C@H](NC[C@H]1CC=CCC1)C1CC1 125301763 FOTQHWDKOIYBFQ-ZFWWWQNUSA-N 219.372 3.677 30 20 BHED CCc1ccc([C@@H](C)NCCCCC#N)s1 167265994 NMARCOPKUOMJAU-LLVKDONJSA-N 236.384 3.655 30 20 BHED C=CCCCCCN(C)[C@@H](C)c1ccccn1 177267250 JTXNVJRQBLQZHS-AWEZNQCLSA-N 232.371 3.821 30 20 BHED Cc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1F 185752111 MOMWDUCHGQJQBD-NEPJUHHUSA-N 232.302 3.628 30 20 BHED CC(C)C(C)(C)CNCC(C)(C)CCC#N 189471365 YTORHAIJHNMUHS-UHFFFAOYSA-N 224.392 3.588 30 20 BHED COCCCCON=Cc1ccc(C(C)C)cc1 255323262 ZOXFJGYMPRQWEW-UHFFFAOYSA-N 249.354 3.587 30 20 BHED CC(C)(C#N)CCN(C#N)c1cccc(Cl)c1 279855865 FETZYSVCWWGVPY-UHFFFAOYSA-N 247.729 3.567 30 20 BHED C=CCC[C@@H](NCCCCC#N)c1ccco1 286299340 WOVLCJRFKATOLZ-CYBMUJFWSA-N 232.327 3.570 30 20 BHED CC[C@H](c1ccccc1)N(CC)CCCC#N 299425649 SVCFMLPLSDADOH-OAHLLOKOSA-N 230.355 3.763 30 20 BHED Cc1ccc2[nH]c(-c3cccc(C#N)c3)nc2c1C 311931829 GJRCIORLHMGPRU-UHFFFAOYSA-N 247.301 3.718 30 20 BHED C=C(CC)CN[C@@](C)(CC)c1ccccc1 381217090 IESUVWNVWPDHFC-HNNXBMFYSA-N 217.356 3.868 30 20 BHED CCN(Cc1occc1C)CC(C)(C)CCC#N 414547742 IDAZCIYJGSLMNO-UHFFFAOYSA-N 248.370 3.740 30 20 BHED Cc1cccc(CN(C)CCC(C)(C)C#N)c1C 428716869 JJXMOJNDNCPDHY-UHFFFAOYSA-N 244.382 3.675 30 20 BHED C=CCCCC[C@@H](C)NC[C@@H]1CCCS1 449189648 MKARXHOXUSILFE-OLZOCXBDSA-N 227.417 3.607 30 20 BHED C=C(C)CN(C1CC1)[C@@H](C)c1ccccc1 505785290 TVYOUWKNFFNJRU-ZDUSSCGKSA-N 215.340 3.788 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 531951136 AOSFMUSSGOSNMR-MJBXVCDLSA-N 242.366 3.810 30 20 BHED C=CCC[C@H](CC)NCC1(OCC)CCCC1 550881695 BJHYJGZAKRFISO-AWEZNQCLSA-N 239.403 3.670 30 20 BHED CC#CCCSC[C@@H](OC)c1ccccc1 562764171 FTFBLNYNVHOKPP-CQSZACIVSA-N 234.364 3.521 30 20 BHED C=CCCC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 588023185 HBXDOCCTYMBVKR-STQMWFEESA-N 237.387 3.674 30 20 BHED C=C[C@H](C)N[C@H](CC)CCc1ccccc1 623904465 BYZQBCULWHUJMA-DZGCQCFKSA-N 217.356 3.562 30 20 BHED C=CC(C)(C)CNCc1nccc2ccccc12 648733020 FUNBNCZFBOGYOH-UHFFFAOYSA-N 240.350 3.537 30 20 BHED C=CC[C@@H]1CCCN(Cc2ccsc2)C1 661384661 KGNZGRWKLHNYQP-GFCCVEGCSA-N 221.369 3.536 30 20 BHED CC1(C)CCCCC1=NOCc1cccnc1 746577779 VCPZPJUHIYAWBT-UHFFFAOYSA-N 232.327 3.554 30 20 BHED CCCCCCC(C)=NOCc1cccnc1 746587990 IBDTWDPQZLLSJE-UHFFFAOYSA-N 234.343 3.945 30 20 BHED C=CCCC(=NNc1ncccc1Cl)C1CC1 747752731 BZIWYJCOUCLRKA-UHFFFAOYSA-N 249.745 3.879 30 20 BHED CC(CC1CC1)=NNc1ccc(F)cc1C 750938172 CZFJIPWPXDWZDC-UHFFFAOYSA-N 220.291 3.722 30 20 BHED CC[C@H](C)c1ccc(C(=O)OCCCC#N)cc1 756521517 DIRXPZZFJVVLKB-LBPRGKRZSA-N 245.322 3.661 30 20 BHED C[C@@H]1C[C@H]1C=NNc1ccccc1C(F)(F)F 758359227 PCTOEKOQKNJISM-BDAKNGLRSA-N 242.244 3.759 30 20 BHED C#CCCSc1nc(-c2ccccc2)cs1 763298697 OWSCDXLZHKXDBM-UHFFFAOYSA-N 245.372 3.926 30 20 BHED CCON=C(C)c1ccc(C(C)C)cc1 767468877 HBXQNSUPGCMNNM-UHFFFAOYSA-N 205.301 3.571 30 20 BHED Cc1ccc2c(c1)C(=NOC1CCCC1)CC2 774596812 MDKJTYXMGJHFGW-UHFFFAOYSA-N 229.323 3.605 30 20 BHED C=CCN(CCCc1cccc(F)c1)C(C)C 778938048 CAKBKLVYLOTREC-UHFFFAOYSA-N 235.346 3.655 30 20 BHED CC(Cc1ccccc1C)=NOC/C=C/Cl 811672316 WIXPBKGWNVFTQR-ISFHODSMSA-N 237.730 3.683 30 20 BHED Cc1ccc(F)c(NN=C2CC[C@H](C)C2)c1 814872292 JJQAQQHDPXJKTF-VIFPVBQESA-N 220.291 3.722 30 20 BHED CCCCCCCCNCc1ccncc1F 823602666 QEMBAROGBRHOCM-UHFFFAOYSA-N 238.350 3.671 30 20 BHED CC[C@H](C)CC=NNc1ncnc2ccsc12 834964535 VIJUFWWNVZLHHB-VIFPVBQESA-N 248.355 3.525 30 20 BHED N#C[C@H](c1ccccc1)N1CCC2(CCCC2)C1 851790395 JYEFOCIOQZMXOB-OAHLLOKOSA-N 240.350 3.517 30 20 BHED C=CCCC(C)(C)NC(=O)/C=C1/CC[C@H](C)C1 856373885 CVQKKNBYTLAKPV-KLDSGFLGSA-N 235.371 3.594 30 20 BHED C=C1CCC(C(=O)N(C)[C@H](C)C(C)(C)C)CC1 887951619 ISCRMWBPBWEHKE-GFCCVEGCSA-N 237.387 3.626 30 20 BHED Cc1cccc(C=NNc2cccc(F)c2)c1 920384112 OZICEQZVIIUEOJ-UHFFFAOYSA-N 228.270 3.580 30 20 BHED C[C@@H](NCC(C)(C)C#N)c1coc2ccccc12 926873828 JJUJPWIJLBKEDN-LLVKDONJSA-N 242.322 3.633 30 20 BHED COc1ccc([C@@H](C)S[C@H](C#N)C2CC2)cc1 1165587754 XTQUFNQPPCATGY-QMTHXVAHSA-N 247.363 3.792 30 20 BHED C=C[C@](C)(CC)C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1338724907 WVYBXAFFMYJRKV-SQWLQELKSA-N 249.398 3.627 30 20 BHED C=CCN(Cc1cccs1)C(=O)CCC(=C)C 1357463348 MIVXLVYEENBSGV-UHFFFAOYSA-N 249.379 3.619 30 20 BHED C=C(C)CCC(=O)N1CCC[C@@H]1[C@@H](C)CCC 1358047676 YXGIKZVXEVLLEP-UONOGXRCSA-N 237.387 3.770 30 20 BHED CN(CC1(CC#N)CC1)[C@H]1CCC[C@@H]1C(C)(C)C 1653938633 SSHWPRJKZIEBCP-KBPBESRZSA-N 248.414 3.827 30 20 BHED N#Cc1ccc(SCCC(F)=C(F)F)nc1 1656215915 ZWKQEAPCORXSDB-UHFFFAOYSA-N 244.241 3.513 30 20 BHED Cc1cccc(CSc2ccnc(C#N)c2)c1 5931223 JVGJJZZFUOOABD-UHFFFAOYSA-N 240.331 3.554 30 20 BHED Cc1ccccc1N[C@@H](C#N)C1CCCCC1 37937934 YPBFKRJCFTVUAG-HNNXBMFYSA-N 228.339 3.879 30 20 BHED CC(C)(C)CCNc1ccc(F)c(C#N)c1 51636431 ZCTYANJVCNTFBB-UHFFFAOYSA-N 220.291 3.545 30 20 BHED C=CC[C@H](C)NC(=O)[C@@H](CCC)c1ccccc1 116852784 NJRJAQPQIAAKOK-ZFWWWQNUSA-N 245.366 3.651 30 20 BHED Cc1ccc(F)cc1OCCCC(C)(C)C#N 189496935 GWSGRCAIEQQLEO-UHFFFAOYSA-N 235.302 3.843 30 20 BHED C[C@@H]1CCC[C@@H](NCc2cc(C#N)cs2)CC1 191112749 ISWOUDPHIFDITE-DGCLKSJQSA-N 248.395 3.678 30 20 BHED C=CCN(Cc1ccco1)Cc1ccccc1F 194986883 VPWKNYQWWNOPPP-UHFFFAOYSA-N 245.297 3.607 30 20 BHED COc1ccccc1[C@H](C)SCCCC#N 266247217 OJZBNFWRHAGLEN-NSHDSACASA-N 235.352 3.793 30 20 BHED CC1(C)CC[C@H]1N[C@H](CCC#N)c1ccccc1 284479916 USZFXXDOUVIHPR-HUUCEWRRSA-N 242.366 3.810 30 20 BHED C=CCCC[C@H](C)Nc1nnc(C2CC2)s1 302045125 XTLHAPJRSOPHSC-VIFPVBQESA-N 237.372 3.572 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccccc1OC 384899979 AAVXZWGRKMAIIK-LBPRGKRZSA-N 233.355 3.558 30 20 BHED N#CCCSC[C@H]1CCC2(CCCCC2)O1 413016209 VRJLGFAQDFMITN-GFCCVEGCSA-N 239.384 3.515 30 20 BHED C=C(C)CCN(C)[C@@H](C)c1cccc(C#N)c1 425536539 OTGYNKFJYFYLJP-ZDUSSCGKSA-N 228.339 3.517 30 20 BHED C=CCCCC[C@@H](C)N[C@@H]1CCC[C@@H]1F 449345316 VGJZXUYXMVKVBZ-FRRDWIJNSA-N 213.340 3.602 30 20 BHED C[C@H](SC1CCC1)c1cccc(C#N)c1 450986915 SQVZIENJZMSUJP-JTQLQIEISA-N 217.337 3.905 30 20 BHED C=CCCC1(C(=O)N[C@@H](C)C[C@@H](C)CC)CC1 476101542 APUJXOSOQHCZNT-STQMWFEESA-N 237.387 3.674 30 20 BHED C=CC1CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 538730421 KBIPNYXMQVYSDF-WFASDCNBSA-N 245.366 3.801 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@H]1CC12CCCCC2 539432519 ADBHIDUTOKGEJX-ZIAGYGMSSA-N 249.398 3.818 30 20 BHED C=CC1CCN(C[C@H](C)c2ccccc2)CC1 604885258 UEGPTOIPIVHDQG-AWEZNQCLSA-N 229.367 3.688 30 20 BHED C=CCCN[C@@H]1CC[C@@H](Cc2ccccc2)C1 657583824 QVDKGNCXEGPRDE-JKSUJKDBSA-N 229.367 3.564 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H](C)C1CCCC1 678881262 BVDCDDGBIQLIGP-STQMWFEESA-N 237.387 3.674 30 20 BHED C=CCCC(=O)O[C@H](C)c1ccccc1Cl 726657161 ZTRYGHWWVWZCEJ-SNVBAGLBSA-N 238.714 3.910 30 20 BHED CCC(=NNc1ccc(F)cn1)c1cccs1 731319413 UVAUROMFSDTPMV-UHFFFAOYSA-N 249.314 3.508 30 20 BHED C=CCCN(CC)c1ccc(CC)cc1 739912866 WTQKOKMFQNVHBS-UHFFFAOYSA-N 203.329 3.651 30 20 BHED C=CCCOC(=O)[C@H](CC(C)C)c1ccccc1 741051428 PWFKNYZJKVMDLD-OAHLLOKOSA-N 246.350 3.936 30 20 BHED C#CCN(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 743858982 IIOGNEZZSADXSE-HNNXBMFYSA-N 249.357 3.980 30 20 BHED C(=NN=C1c2ccccc2-c2ccccc21)C1CC1 755614271 YSTUPVLELBNWDO-UHFFFAOYSA-N 246.313 3.900 30 20 BHED C#CC[C@@H](N[C@@H](C)CCC1CC1)c1ccccc1 769415160 WBGBGZBMCIHUDC-WMLDXEAASA-N 241.378 3.919 30 20 BHED CC(C)CNN=C1CCC[C@@H]1Cc1ccccc1 771568186 XMDHIQXHVASQRG-OAHLLOKOSA-N 244.382 3.631 30 20 BHED CCC(CC)=NN[C@H]1CCCCC1(C)C 773125076 MNZDOADHDSVCIW-LBPRGKRZSA-N 210.365 3.721 30 20 BHED CC(C)[C@H]1CCCC1=NN[C@H]1C[C@H]2CC[C@H]1C2 774593847 SISBKQWVOVOIBI-XPCVCDNBSA-N 234.387 3.577 30 20 BHED CCC(=NNc1ccc(C#N)c(Cl)c1)C1CC1 783877492 LAHPOBHDDPKTAE-UHFFFAOYSA-N 247.729 3.800 30 20 BHED C=CCCN(C)C(=S)Nc1ccc(C)cc1C 786082536 ISZLIUQVDZSMNH-UHFFFAOYSA-N 248.395 3.508 30 20 BHED C/C=C\CS(=O)(=O)CCCCCCCCC 790143863 YDTUXYFXFVMCCB-XQRVVYSFSA-N 246.416 3.728 30 20 BHED CC(C)[C@H]1CCCC(=NOCC(F)(F)F)C1 794522798 DFHKEIVWSXFTSS-VIFPVBQESA-N 237.265 3.768 30 20 BHED CC(C)CCC=NOCc1ccc(F)cc1 814903554 OQYCGDWWERPMCS-UHFFFAOYSA-N 223.291 3.764 30 20 BHED c1ccc(C[C@@H]2CCC(=NOC3CCC3)C2)cc1 814936531 XSFCZRXXUUMTSP-AWEZNQCLSA-N 243.350 3.954 30 20 BHED C#CCCCCN[C@@H](C)c1ccc(F)cc1C 815596143 LWMJDPZGANNCPP-ZDUSSCGKSA-N 233.330 3.588 30 20 BHED C=CCCCC(=O)OC[C@@H](CC)CC(F)F 845758082 CSBOQIBQYGQLBU-JTQLQIEISA-N 234.286 3.567 30 20 BHED C=C[C@@H](OC(=O)C1(F)CCCC1)c1ccccc1 851451920 NHLITRKKYOFVSI-CYBMUJFWSA-N 248.297 3.739 30 20 BHED C=C(C)CON=C[C@H](C)c1ccc(C)cc1 863123523 HXUJIJRFFUVTCT-ZDUSSCGKSA-N 217.312 3.677 30 20 BHED C=C[C@H](CC)Cc1nc([C@@H](C)SCC)no1 904023436 QWKAIOAPEIOARQ-NXEZZACHSA-N 240.372 3.638 30 20 BHED Cc1ccc(C=NOCc2ccccc2)cc1C 915959644 HILRKXROCWSDOU-UHFFFAOYSA-N 239.318 3.854 30 20 BHED C=C(C)CNc1cc(Cl)ccc1-n1cccn1 917820003 MNXLFFHVFNIMDT-UHFFFAOYSA-N 247.729 3.514 30 20 BHED Clc1ccccc1CNN=C[C@@H]1CC=CCC1 918152545 HBSKMVBMLLWSBM-GFCCVEGCSA-N 248.757 3.772 30 20 BHED CC(=NNc1cc(F)cc(F)c1)c1ccccc1 920376852 VZSKJEIQYVILQE-UHFFFAOYSA-N 246.260 3.801 30 20 BHED CCCC(=NNc1ccn(C)n1)C1CCCCC1 1321825155 IBKMDFLGGFSHMI-UHFFFAOYSA-N 248.374 3.568 30 20 BHED CC[C@@H]1CCCC[C@@H]1CN[C@H]1CCC[C@H](C#N)C1 1560860533 PGJKMFIULROMGG-JJXSEGSLSA-N 248.414 3.875 30 20 BHED C=C(Cl)CN1C[C@@H](C(C)C)c2ccccc21 1642944651 DHMGBBAUIMJCTD-ZDUSSCGKSA-N 235.758 3.999 30 20 BHED C=CCN[C@H](CC)c1ccc(Cl)cc1 19875868 SCNONDBZNZWOPL-GFCCVEGCSA-N 209.720 3.567 30 20 BHED C=C(C)CSc1nnc(-c2ccc(C)cc2)o1 28579167 ODWSYKYCWRNAPG-UHFFFAOYSA-N 246.335 3.713 30 20 BHED C[C@H]1CCC[C@H](N(C)c2ccc(C#N)cc2)C1 42249877 AIBWWJABJHBWEM-WFASDCNBSA-N 228.339 3.573 30 20 BHED C=C(C)COc1cccc(NC(=O)[C@H](C)CC)c1 66463370 DQMKVUHXVHCGTJ-GFCCVEGCSA-N 247.338 3.626 30 20 BHED C=CCCCNc1ccccc1OC(F)(F)F 71275365 WNIJTCKMWIBYMW-UHFFFAOYSA-N 245.244 3.963 30 20 BHED C[C@@H]1CCC[C@@H](C)N(Cc2cc(C#N)cs2)C1 93509327 XVSIUSDHBCQUSX-VXGBXAGGSA-N 248.395 3.630 30 20 BHED N#C[C@@H](Sc1nccs1)C1CCCCC1 115187511 YRYJVROAPHJIFB-SNVBAGLBSA-N 238.381 3.708 30 20 BHED CC[C@H]1CC[C@@H](C)N1CCCC(C)(C)C#N 124569168 COONTTXEVSRKBM-OLZOCXBDSA-N 222.376 3.579 30 20 BHED CCC[C@H](Cc1ccccc1)N[C@@H](CC)CC#N 133194035 WPURANGRAWKFLG-JKSUJKDBSA-N 244.382 3.680 30 20 BHED C=CCC[C@H](N[C@@H]1CC[C@@H](SC)C1)C1CC1 133961366 PLWUBHOHIJNINU-MCIONIFRSA-N 239.428 3.605 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc(SC)cc1 157267740 QAMAUWTWRUQWDA-QWRGUYRKSA-N 221.369 3.634 30 20 BHED C#CCCCNc1cccc(Cl)c1Cl 161052038 MEWVKHMPQJUWSI-UHFFFAOYSA-N 228.122 3.819 30 20 BHED Cc1cc(F)ccc1OCc1ccccc1C#N 163176718 HRWWYOWXNHILBQ-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cnc2ccsc2c1 163320320 CSILYBOEEJUWOC-GHMZBOCLSA-N 246.379 3.912 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1sc(C)nc1C 281460805 DUBLWKASCUBIDU-PWSUYJOCSA-N 238.400 3.765 30 20 BHED CC(C)(C#N)CCOc1ccc2ncccc2c1 281819700 HMXLPXOOKNMLBG-UHFFFAOYSA-N 240.306 3.553 30 20 BHED CCCOc1cccc(NCCC(C)(C)C#N)c1 288640164 CNVXRWRLLUBZMK-UHFFFAOYSA-N 246.354 3.827 30 20 BHED C=CCCN[C@@H](C)c1cc(C)c(F)c(C)c1 309376669 CTWBJWTXKAYNQX-LBPRGKRZSA-N 221.319 3.669 30 20 BHED C=CCC[C@H](CCC)NCC1CC(F)(F)C1 310038678 WIDJYNQEDLYKQN-LBPRGKRZSA-N 231.330 3.756 30 20 BHED CCCCC/N=C(/O)Nc1c(C)cc(C)nc1C 331238300 NRTJLDTVIOVOIB-UHFFFAOYSA-N 249.358 3.523 30 20 BHED CSc1ccc(C)c(N[C@H]2CC[C@H](C#N)C2)c1 335702885 MHSDRMPNAINFSF-RYUDHWBXSA-N 246.379 3.821 30 20 BHED CCCC[C@@H](C)N(C)Cc1ccc(C#N)cc1 379918935 PQOQQENOLHSZLF-CYBMUJFWSA-N 230.355 3.569 30 20 BHED C=CC[C@H](CC)N[C@@H]1CC[C@@H](C)C[C@@H]1C 379920419 HDSNCHSBNGUDCE-ZOBORPQBSA-N 209.377 3.755 30 20 BHED C=C(CC)CN[C@@H](C)[C@H]1CC2CCC1CC2 381880407 KHIGHVGVEDGOLE-VXGQWTEUSA-N 221.388 3.757 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccc(F)c(F)c1 384926274 GJHSCZZNISYWBF-JTQLQIEISA-N 239.309 3.828 30 20 BHED C=CC(C)(C)CN[C@@H]1CCc2cc(F)ccc21 384980501 QQVMVCUSUWUDOZ-CQSZACIVSA-N 233.330 3.615 30 20 BHED C=CC[C@@H](CC)N[C@H](C)Cc1ccccc1F 393793978 NUXSOQCKHAUNFR-TZMCWYRMSA-N 235.346 3.701 30 20 BHED CC[C@@H](NCC(C)(C)CC#N)C1CCCCC1 414172641 WGYBMBMPYUAPAU-CQSZACIVSA-N 236.403 3.875 30 20 BHED C=CCN(CC)[C@@H](Cc1ccc(F)cc1)C(C)C 464767454 DDYWGZJLEBQAIB-INIZCTEOSA-N 249.373 3.901 30 20 BHED CC#CCCN(C1CC1)[C@H](C)c1ccccc1 512264342 YMTAKXWNAVVRFD-CQSZACIVSA-N 227.351 3.625 30 20 BHED C=CCN(CCC)[C@H]1CCc2ccccc21 521819326 YVKJMQIBYMXFIQ-HNNXBMFYSA-N 215.340 3.572 30 20 BHED C=CC[C@H](C)NC(=O)CCCCC(C)(C)C 552983135 YGOLYFHYAZAMAQ-LBPRGKRZSA-N 225.376 3.674 30 20 BHED Cc1ccc(Oc2snc(C)c2C#N)cc1C 561671642 FXMUUOKMOFPOOC-UHFFFAOYSA-N 244.319 3.732 30 20 BHED CSCCCS[C@@H](C#N)c1ccccc1 574771411 VVTIZMKKGXERTR-LBPRGKRZSA-N 237.393 3.738 30 20 BHED C[C@H](CCC#N)CNc1cccc2ncccc12 602588737 NMDWSXKYHVASIP-GFCCVEGCSA-N 239.322 3.587 30 20 BHED Cc1cc(C#N)ccc1CSCCC1CC1 615125193 FFTYHSKKBXTZMA-UHFFFAOYSA-N 231.364 3.900 30 20 BHED C=CCCC(C)(C)NC(=O)Nc1cccc(C)c1 664470150 UZZGHBNGJIRIED-UHFFFAOYSA-N 246.354 3.861 30 20 BHED C=C(C)CN(C)C(=O)c1ccc(CCCC)cc1 679204407 CTPMPFVYFBZAES-UHFFFAOYSA-N 245.366 3.677 30 20 BHED CC[C@@H](C)C=NNc1ccc(Cl)cc1 755461436 CNMXBYDVNAXCDC-SECBINFHSA-N 210.708 3.784 30 20 BHED Cc1ccnc(NN=C2CCCCCCC2)c1 755907102 SPDQFMXTRUUDJP-UHFFFAOYSA-N 231.343 3.902 30 20 BHED CCC(=NOC)c1ccc(Cl)c(Cl)c1 767491671 QRIZGXFZEQLSNQ-UHFFFAOYSA-N 232.110 3.754 30 20 BHED CC(=NNc1cc(C)ccc1C)c1cscn1 767897302 VWVWUABIPBOUSI-UHFFFAOYSA-N 245.351 3.596 30 20 BHED CC(C)=CCSc1snc(Cl)c1C#N 774774236 FATFQEPPZNHWQT-UHFFFAOYSA-N 244.772 3.726 30 20 BHED C=CCOc1cccc(CNCCC2CCC2)c1 776251482 HZFZQGPUFQQFTB-UHFFFAOYSA-N 245.366 3.531 30 20 BHED C=C(C)CNC(=O)[C@@](C)(CC)CCCCC 781037874 KCDCUKXRYZBSRJ-AWEZNQCLSA-N 225.376 3.675 30 20 BHED O=C(/C=C/C=C\c1ccccc1)c1cncs1 787172199 SOHFEJQQZNJVKS-MVTUOISNSA-N 241.315 3.595 30 20 BHED C#CCCCNc1cnn(C(CC)CC)c1CC 789668948 IOOMFTOPTMALBA-UHFFFAOYSA-N 247.386 3.632 30 20 BHED CC[C@H](C)NN=Cc1cc2ccccc2s1 790182320 IXILAOOMMMCNOS-JTQLQIEISA-N 232.352 3.623 30 20 BHED C#CCCCSCc1cccc(C(C)=O)c1 842179009 SSKKJXKWXBXDFP-UHFFFAOYSA-N 232.348 3.536 30 20 BHED C#CCCc1noc(CCC2CCCCCC2)n1 848607249 VORYKUCWWYCGFJ-UHFFFAOYSA-N 246.354 3.538 30 20 BHED C=CC(C)(C)CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 878874406 WPLZBCSFOVLUFV-HZSPNIEDSA-N 249.398 3.768 30 20 BHED C=CCN(Cc1c(F)cccc1Cl)C(C)C 917071320 RALIZNOIYPGVJE-UHFFFAOYSA-N 241.737 3.876 30 20 BHED O=C1/C(=C\c2ccsc2)Cc2c(F)cccc21 921264275 PVYKSLJBSICDOS-POHAHGRESA-N 244.290 3.710 30 20 BHED C=C(C)CCC(=O)N(CC)c1ccccc1C 1120677090 ISVPOPHLCKSQKC-UHFFFAOYSA-N 231.339 3.704 30 20 BHED C#C[C@@H](N[C@H](C)Cc1ccccc1Cl)C(C)C 1327401924 DIQGMATZSOXRTA-IUODEOHRSA-N 249.785 3.518 30 20 BHED C=C(C)CCC(=O)Nc1ccccc1CCC 1337029245 CPVXTKVHCRIFMZ-UHFFFAOYSA-N 231.339 3.934 30 20 BHED C=C(C)CCC(=O)NC[C@@H](C)c1cccc(C)c1 1338868490 NSFGLYGOJSGLCF-CQSZACIVSA-N 245.366 3.571 30 20 BHED C/C=C/CSCc1cc(C#N)ccc1F 108415374 AOVCBONQYDRCBS-NSCUHMNNSA-N 221.300 3.507 30 20 BHED C=C(C)CNCc1ccc(Oc2ccccc2)o1 119654477 DCZYYOQDQKZXPP-UHFFFAOYSA-N 243.306 3.738 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc(OCC(C)C)cc1 132680493 GHOZUNIVBOXWTF-UONOGXRCSA-N 247.382 3.947 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 132683205 AIXMDOZTUZMCMG-QWHCGFSZSA-N 233.355 3.699 30 20 BHED C=CCCC[C@H](C)NC[C@H]1C[C@H]2C=C[C@H]1C2 133581253 ASZKAZZSJQVQLT-ZQDZILKHSA-N 219.372 3.533 30 20 BHED C=C[C@H](C)NC(=O)Nc1cccc2ccccc12 150833340 HCINRJCOVXTWQN-NSHDSACASA-N 240.306 3.536 30 20 BHED C=CCSCc1nc(C(F)(F)F)cs1 155612495 BPOVGDWHCXMHAH-UHFFFAOYSA-N 239.287 3.581 30 20 BHED CCCCCCCCCC(=O)NCC(F)F 174559741 UXFJGIXNRXZKIV-UHFFFAOYSA-N 235.318 3.508 30 20 BHED Cc1cccc(CC[C@H](C)NCCCCC#N)c1 178644713 PDTITXUKPGOMOO-HNNXBMFYSA-N 244.382 3.600 30 20 BHED CCCCCCCCCN[C@@H]1CCOC[C@H]1C 192128660 LFYMWIJVDGEHGN-HUUCEWRRSA-N 241.419 3.752 30 20 BHED Cc1ccc(C(=O)/C=C/c2c(C)noc2C)s1 193773335 YRFBAWOCUNMHHM-AATRIKPKSA-N 247.319 3.557 30 20 BHED C[C@H](S)c1cccc(Cl)c1Cl 235566206 YYTVYIIKDQMIRZ-YFKPBYRVSA-N 207.125 3.984 30 20 BHED C=CCCCCCOc1cccnc1Cl 236059528 IMYFGYMDNJNWEI-UHFFFAOYSA-N 225.719 3.860 30 20 BHED C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]2CCCC[C@H]21 248611666 GQPIGJBJZPVROV-SOUVJXGZSA-N 249.398 3.770 30 20 BHED CCc1ccc([C@H](C)N[C@H](C)CCC#N)cc1 278904737 JCELNIJWHZVBSL-OLZOCXBDSA-N 230.355 3.592 30 20 BHED N#Cc1ccc(N2CCCC3(CC3)C2)cc1Cl 302308086 ZYSKAVCQOBNBTC-UHFFFAOYSA-N 246.741 3.592 30 20 BHED CCN(CCC#N)[C@@H]1CCc2ccc(Cl)cc21 343542059 UFFHMRBOXBBURX-CQSZACIVSA-N 248.757 3.563 30 20 BHED C[C@@H](SCCC#N)c1ccccc1F 352816785 GTGZNYYMMVXNOL-SECBINFHSA-N 209.289 3.534 30 20 BHED C[C@@H]1CCN(CC(C)(C)CCC#N)CC1(C)C 355508425 KQRSFNQIECCIQK-CYBMUJFWSA-N 236.403 3.684 30 20 BHED C=CCCC1(C(=O)N2CCCC3(CCC3)C2)CC1 357167887 MKDQSOCOLLOKJU-UHFFFAOYSA-N 247.382 3.526 30 20 BHED C=C(C)CNCc1cc2ccccc2cc1OC 449268418 GSCNAWPDEWYXAM-UHFFFAOYSA-N 241.334 3.514 30 20 BHED N#CC1(CSc2ccccc2F)CCC1 450600237 RTJPCCNIKOOPMS-UHFFFAOYSA-N 221.300 3.612 30 20 BHED C=CCC1(C(=O)NCC(C)(C)C=C)CCCCC1 452784876 QNGXLONMPFAZPH-UHFFFAOYSA-N 249.398 3.841 30 20 BHED C=CCCCCNC/C=C/c1ccc(F)cc1 472073766 OGDOREMVMJWIFN-VOTSOKGWSA-N 233.330 3.785 30 20 BHED C=C1CCN(Cc2cc(Cl)cs2)CC1 494932656 RCBVBPNVFVBJMO-UHFFFAOYSA-N 227.760 3.554 30 20 BHED CCC(CC)Sc1ccccc1C#N 507026535 GRZGXMKIPCWAMB-UHFFFAOYSA-N 205.326 3.839 30 20 BHED C=CC1CCN(Cc2sccc2Cl)CC1 555016173 UYPPWBOJIVOYBP-UHFFFAOYSA-N 241.787 3.800 30 20 BHED CC#CCCSC[C@H](OC)c1ccccc1 562764170 FTFBLNYNVHOKPP-AWEZNQCLSA-N 234.364 3.521 30 20 BHED C=CCCCCN[C@@H]1CCC[C@@H]1SCC 569189280 BTTYGJNRUYNPMP-OLZOCXBDSA-N 227.417 3.607 30 20 BHED C=C(CN[C@H](C)CC1CCC1)c1ccccc1 675784206 WKERPNLHZBLYRY-CQSZACIVSA-N 229.367 3.868 30 20 BHED CCCCCCCCNC(=O)C[C@H]1C=CCC1 754849764 JYAFPOYKEJGXCR-AWEZNQCLSA-N 237.387 3.819 30 20 BHED Cc1cc(C=NNc2ccccc2F)c(C)s1 760239388 LFWCFEOMQRARAT-UHFFFAOYSA-N 248.326 3.950 30 20 BHED C=CCN(C[C@@H](C)c1ccc(OC)cc1)C(C)C 775656653 LTRIFPFZZYERJJ-CQSZACIVSA-N 247.382 3.695 30 20 BHED CC[C@H]1CCC[C@@H](C=NNc2ccnc(F)c2)C1 783867717 SNICCKHPZOBPQB-NWDGAFQWSA-N 249.333 3.835 30 20 BHED CC(CCc1ccco1)=NNC1CCCCC1 786039523 DAZKYJUFUSVTNG-UHFFFAOYSA-N 234.343 3.510 30 20 BHED C=CCC(C)(C)C(=O)Oc1ccc(C)cc1 796712144 JVKFBTCGBVKUFU-UHFFFAOYSA-N 218.296 3.503 30 20 BHED FCCC[C@@H]1CCCC1=NNC1CCCCC1 800816571 NRLVSOXVROMXAW-LBPRGKRZSA-N 240.366 3.815 30 20 BHED Cc1ccsc1C=NNc1ccccc1F 812458434 CEZAVTMNJZHYGL-UHFFFAOYSA-N 234.299 3.642 30 20 BHED Fc1ccc(C=NOCc2ccccc2F)cc1 852143515 COGLFWASEZXUFW-UHFFFAOYSA-N 247.244 3.516 30 20 BHED CC(CC(C)(C)C#N)=NNc1cccc(C)c1 853258548 UDPUUQBSVIRZSR-UHFFFAOYSA-N 229.327 3.723 30 20 BHED C[C@@H]1[C@@H](/N=C/c2ccccc2O)CCC[C@H]1C 920943154 PRXUNVZSNPXTGN-DTCIMYEYSA-N 231.339 3.636 30 20 BHED CC(C)O[C@H](C=NOC(C)(C)C)c1ccccc1 1324798095 OYWLZMCNTXLHIR-CQSZACIVSA-N 249.354 3.954 30 20 BHED CC(C)(C)ON=C1CC[C@@H]2CNc3cccc1c32 1324925098 QAAFLWXYOBLKFJ-SNVBAGLBSA-N 244.338 3.509 30 20 BHED C=C[C@H](C)ON=C(C)c1ccccc1SC 1332537358 CSDXRIBXGQLFDU-JTQLQIEISA-N 235.352 3.724 30 20 BHED C=C(C)CCC(=O)NC[C@H](CC)c1ccccc1 1338732469 PMYPEMREGZGFFX-AWEZNQCLSA-N 245.366 3.653 30 20 BHED C=C(CC)C(=O)N(C)C/C(C)=C/c1ccccc1 1348496302 ZXBQQMUZNCAAHJ-ACCUITESSA-N 243.350 3.515 30 20 BHED C[C@@H](Sc1ccnc(C#N)c1)c1cccs1 1612023466 OLUKMVKIOXARHY-SECBINFHSA-N 246.360 3.868 30 20 BHED C=CCCNc1cc(C(F)(F)F)ccc1F 70592384 OIMYPGFBRNTFAK-UHFFFAOYSA-N 233.208 3.833 30 20 BHED Cc1ccc(NCCCC(C)(C)C#N)c(F)c1 87597237 JWTGVKIYFYTFIE-UHFFFAOYSA-N 234.318 3.876 30 20 BHED C=C(CC)COc1ccc(CCC(C)=O)cc1 97208090 YTNKWUXVHSHWIL-UHFFFAOYSA-N 232.323 3.553 30 20 BHED C[C@@H]1CCCC[C@H]1Nc1ccc(F)cc1C#N 111238335 VCBXWCKACKSLGO-ZWNOBZJWSA-N 232.302 3.688 30 20 BHED C=C(C)COCCNC1CCC(CCC)CC1 125807624 GPUGQRLKFIPXFS-UHFFFAOYSA-N 239.403 3.528 30 20 BHED CC[C@@H]1CCC[C@H]1Nc1cccc(F)c1C#N 163796498 OLIVVPGEDHGJAH-ZWNOBZJWSA-N 232.302 3.688 30 20 BHED Cc1ccc(SCCCSCC#N)cc1 174003523 OBMGDBJCAGWGMZ-UHFFFAOYSA-N 237.393 3.734 30 20 BHED C#CCC(C)(C)C(=O)Nc1ccc(C(C)C)cc1 184873792 UMBWCLNNKFAXOX-UHFFFAOYSA-N 243.350 3.798 30 20 BHED CCSc1cccc(CN[C@@H](CC)CC#N)c1 186420076 UIWYUXGIMNGJJF-ZDUSSCGKSA-N 248.395 3.580 30 20 BHED C[C@H](CCC#N)Sc1ccc(F)cc1 188187316 JFWRCDXVSSOHAV-SECBINFHSA-N 209.289 3.610 30 20 BHED C=CCC1(C(=O)N(C)[C@H]2CCC[C@H](C)C2)CCC1 191867234 KESIWXDFJUKGLL-KBPBESRZSA-N 249.398 3.770 30 20 BHED C#CCCCCN[C@@H](C)c1ccccc1SC 194930448 QUKJOAIEZQYJMR-ZDUSSCGKSA-N 247.407 3.863 30 20 BHED Cc1nsc(NC[C@@H]2CCC[C@@H](C)C2)c1C#N 235351860 SFYNRGBOUYSFKE-MWLCHTKSSA-N 249.383 3.561 30 20 BHED CCCCCCCCCC(=O)N1CC[C@@H](C)C1 261381363 GBXDKLJXPNBPNA-CQSZACIVSA-N 239.403 3.996 30 20 BHED C=CCC[C@H](CC)Nc1cccc2c1COC2=O 290134071 JWICORXTFPCQFK-NSHDSACASA-N 245.322 3.514 30 20 BHED C#CCCNc1ccc(C)c(Cl)c1Cl 306504975 DTUHUYYTBZBNIL-UHFFFAOYSA-N 228.122 3.737 30 20 BHED C=CC[C@H](C)[C@H](C)NC1CCC(F)(F)CC1 309797030 VPTFKPLZTHXYRQ-QWRGUYRKSA-N 231.330 3.755 30 20 BHED Cc1cnc([C@H](C)Sc2ccccc2C#N)o1 335280447 KTQOBCNOATYGIS-JTQLQIEISA-N 244.319 3.708 30 20 BHED CCC1(CC)CN(CCCC#N)c2ccccc21 361872897 JSEQKDMPKQAOIM-UHFFFAOYSA-N 242.366 3.868 30 20 BHED C=CCN[C@@H](c1ccc(Cl)cc1F)C(C)C 381513382 RSZPUVNQQKQCIA-CYBMUJFWSA-N 241.737 3.952 30 20 BHED CO[C@H](CSCCC(C)(C)C#N)CC(C)C 419470869 DAMSNGHXSASEJS-LBPRGKRZSA-N 243.416 3.721 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[C@H]1CC 424871048 VYRPPTCNFXHRCF-OLZOCXBDSA-N 237.387 3.531 30 20 BHED CCCC[C@H]1CCC[C@H]1NCC1(C#N)CCC1 450731090 XDFMUKODYALGJR-UONOGXRCSA-N 234.387 3.629 30 20 BHED C=CCC1(C(=O)N2CC[C@H](C(C)(C)C)C2)CCC1 480561627 GWHDCIGMSXPDRL-ZDUSSCGKSA-N 249.398 3.627 30 20 BHED C=C(C)CCN1CCC(c2ccccc2)CC1 509326374 GMTDDSNHSDTQTC-UHFFFAOYSA-N 229.367 3.832 30 20 BHED CC#CCCCC(=O)N[C@@H]1CCCC[C@@H]1CCC 545220420 QMJIFGSGXRHGOP-LSDHHAIUSA-N 249.398 3.655 30 20 BHED C=CCN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 549173600 YPDGKWBSNSDSAB-MUJYYYPQSA-N 227.351 3.583 30 20 BHED CC(C)Oc1ccccc1NC[C@@H](C)CCC#N 602486760 IIUSVPWLMHYGQL-ZDUSSCGKSA-N 246.354 3.826 30 20 BHED C=CCN(C(=O)c1cccc(C)c1C)C(C)(C)C 622942494 NUTOHKMZRRCRFX-UHFFFAOYSA-N 245.366 3.730 30 20 BHED C=C(C)CN(C)Cc1csc(C(F)(F)F)c1 628235070 YBDUOWHZUAPWJW-UHFFFAOYSA-N 249.301 3.775 30 20 BHED C=CCCCNCc1cc2c(C)cccc2[nH]1 657455479 ROAHDEZTEMFNRF-UHFFFAOYSA-N 228.339 3.532 30 20 BHED C=C1CCN(C(=O)c2cccc(C(C)C)c2)CC1 668303853 WCAQNNSNCCHBJC-UHFFFAOYSA-N 243.350 3.602 30 20 BHED CCc1ccc(N(CC)CCCCC#N)cc1 726597241 CBTNYYLGDFGFTH-UHFFFAOYSA-N 230.355 3.769 30 20 BHED C=CCCCOC(=O)c1c[nH]c2cc(C)ccc12 735533298 VSBZYCBAOHBTQT-UHFFFAOYSA-N 243.306 3.599 30 20 BHED C=CCCC(CC)=NNc1ncccc1Cl 750935053 UIZVEBCWFXJCOP-UHFFFAOYSA-N 237.734 3.879 30 20 BHED C=CCN(CC1CCCCC1)C(=O)C(C)=C(C)C 751377931 BDFMOVMLDUCVED-UHFFFAOYSA-N 249.398 3.938 30 20 BHED C#CCCCCN[C@H](CC)Cc1ccc(C)cc1 773038575 UDVJTXIKUJMUCH-QGZVFWFLSA-N 243.394 3.709 30 20 BHED C[C@@H]1CCCCC1=NOCCC(F)(F)F 777459808 LSPGLUUTODIAIJ-MRVPVSSYSA-N 223.238 3.522 30 20 BHED C[C@H]1CCC(=NNC2CCCCC2)C[C@@H]1C 786042075 JMTFNIWROIEQIZ-RYUDHWBXSA-N 222.376 3.721 30 20 BHED C#CC[C@H](N[C@H]1CCC1(C)C)c1ccccc1 793545851 DCLZWUKZFWYHTO-GJZGRUSLSA-N 227.351 3.529 30 20 BHED CC(C)[C@@H](C=NNC1CCCC1)c1ccccc1 794505746 FXNOCRAXXNXDFG-MRXNPFEDSA-N 244.382 3.944 30 20 BHED CSCCON=C(CCC(C)C)C1CC1 802713054 AFADCMKEALXDMA-UHFFFAOYSA-N 229.389 3.568 30 20 BHED C=CCCCCCCNC(=O)/C=C(\C)C1CC1 805220991 IUCOCHKJXROHIP-OUKQBFOZSA-N 235.371 3.595 30 20 BHED CC[C@H]1CCC1=NNc1cc(F)c(F)c(F)c1 807974493 JBOGNTXRPNZJCT-ZETCQYMHSA-N 242.244 3.692 30 20 BHED C1C[C@H]2[C@H]3CC(=NOCCC4CC4)[C@@H](C3)[C@@H]2C1 814245831 JPZIJNLTTPPJLG-RQJABVFESA-N 233.355 3.615 30 20 BHED C[C@@H]1CC(=NN[C@H](C)c2ccncc2)C[C@@H](C)C1 819817028 UMNRZYXCOUSREI-RWMBFGLXSA-N 245.370 3.544 30 20 BHED CCC(COC)=NNc1ccc(C(C)C)cc1 835018548 PUQSLROSHBMZNO-UHFFFAOYSA-N 234.343 3.634 30 20 BHED C=CCCC[C@H](C)OC(=O)c1cccc(CC)n1 835271695 ZHRMPKBLFJOKBM-LBPRGKRZSA-N 247.338 3.546 30 20 BHED C=CCNN=C1CC[C@@H](c2cccc(Cl)c2)C1 841638825 YPHJJGNWJPQSSG-GFCCVEGCSA-N 248.757 3.739 30 20 BHED C[C@H](CN1CCCC(C)(C)[C@@H]1C#N)C(C)(C)C 1194101435 LFVLEAKJAVIVFO-OLZOCXBDSA-N 236.403 3.683 30 20 BHED N#Cc1cc(F)cc(N[C@H]2CC[C@@H]2C2CCC2)c1 1462501760 DDADIQXNHVFRRD-CABCVRRESA-N 244.313 3.688 30 20 BHED CC1CCC(N(CC2(CC#N)CC2)C2CC2)CC1 1641536785 RMHUHKFRKLWEFC-UHFFFAOYSA-N 246.398 3.723 30 20 BHED CCc1ccc(CNc2ccccc2C#N)s1 20051378 NTWUIERXHPCJLG-UHFFFAOYSA-N 242.347 3.794 30 20 BHED C[C@H](C#N)CN[C@H]1CCC[C@H](C(C)(C)C)CC1 86958186 LQFGXXMQBUQRAA-RDBSUJKOSA-N 236.403 3.731 30 20 BHED O=C(/C=C/c1cc2ccccc2o1)c1cccnc1 131065628 RIQRSXHXRBNZQM-BQYQJAHWSA-N 249.269 3.724 30 20 BHED C=CCCCN1CCC[C@H]1c1ccc(COC)o1 131106651 XVJJBKHVRKSEBN-AWEZNQCLSA-N 249.354 3.529 30 20 BHED C=C(C)CCOc1ccc(C(C)=O)cc1Cl 168005964 PIKUFMILCIPPBU-UHFFFAOYSA-N 238.714 3.888 30 20 BHED Cc1ccccc1[C@@H](NCCCC#N)C(C)C 183232993 FARPDQPNOWJVCE-HNNXBMFYSA-N 230.355 3.586 30 20 BHED COc1cccc(/C=C\C(=O)c2cccs2)c1 207938427 PLNHKLDOBSNKKS-FPLPWBNLSA-N 244.315 3.653 30 20 BHED C=CCC[C@H](C)Nc1ccc(Cl)nc1C 228094176 MJRNUUNHIGVABU-VIFPVBQESA-N 224.735 3.810 30 20 BHED CCCCC[S@@](=O)CCCCC(C)(C)C#N 232965484 IFZHQLQTTRZABK-MRXNPFEDSA-N 243.416 3.645 30 20 BHED C=C(C)COc1ccc(-c2c(C)noc2C)cc1 278220296 XAPIUPOTMPLIJP-UHFFFAOYSA-N 243.306 3.913 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H](CC)c1ccccc1 281146740 VRKLDMLUFAFPEA-GJZGRUSLSA-N 245.366 3.651 30 20 BHED C/C(=C\Cl)C[C@]1(C=O)CCC[C@@H]1C 307539915 ZNYICGVNIYBVOY-AHVQJPNGSA-N 200.709 3.524 30 20 BHED CCCCCCCN[C@H]1CC[C@@H]1C1CC1 389994072 PQJVGIYRMGPJKR-KGLIPLIRSA-N 209.377 3.735 30 20 BHED CCC[C@H](N[C@H]1CCC[C@H](C#N)C1)C(C)(C)C 449473618 RCEITLJWWQAZES-IHRRRGAJSA-N 236.403 3.873 30 20 BHED C=C(CC)CNc1ccc([C@@H]2CCOC2)cc1 453120563 NYSVIVNAPDZUEF-CQSZACIVSA-N 231.339 3.569 30 20 BHED C=CCC[C@H](C)N[C@H]1C[C@H](OC(C)C)C1(C)C 463580116 VIZWCOQFPPMCFU-IHRRRGAJSA-N 239.403 3.523 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1 488825933 OMSPGRAZDURVJS-YJNKXOJESA-N 249.398 3.626 30 20 BHED C=CCN(C(=O)[C@@H](C)[C@H](C)CC)c1ccccc1 502681704 SZGMIKMMRKOYHA-KGLIPLIRSA-N 245.366 3.888 30 20 BHED CCC(CC)[C@@H](C)C(=O)Nc1ccc(C#N)cc1 535626090 JUFKZNSPRUMMSI-LLVKDONJSA-N 244.338 3.569 30 20 BHED CC[C@H](CC#N)NC[C@@H](C)CC1CCCCC1 545875631 NHBFCVDYVVONCC-DZGCQCFKSA-N 236.403 3.875 30 20 BHED C[C@H](NC[C@H](C)CCC#N)[C@@H](C)c1ccccc1 602564664 NKSLWXOTYMYCPU-KFWWJZLASA-N 244.382 3.708 30 20 BHED C=CCC[C@@H](CC)NCCCc1ccco1 658328065 UEAWSJDZSLUSED-CYBMUJFWSA-N 221.344 3.547 30 20 BHED C[C@@H](CC(C)(C)C#N)NCCC(C)(C)C1CC1 695812452 NQNDAHOQPGWUGQ-LBPRGKRZSA-N 236.403 3.731 30 20 BHED CC(=NNc1c(F)cccc1F)c1ccccc1 735614809 CACPIFNYEFQERM-UHFFFAOYSA-N 246.260 3.801 30 20 BHED CC#CCCOC(=O)C[C@H](CC)c1ccccc1 760287567 LSJYLUACYPBURB-AWEZNQCLSA-N 244.334 3.527 30 20 BHED C#CCN[C@@H](CCc1ccccc1)c1ccccc1 764600145 WKVLTYMVKLBQFJ-SFHVURJKSA-N 249.357 3.583 30 20 BHED N#Cc1ccc(OCc2ccc(CF)cc2)cc1 777531484 NWMUCAHDNVXEDZ-UHFFFAOYSA-N 241.265 3.607 30 20 BHED C[C@H]1CCCC[C@@H]1C=Nn1cnc2ccccc21 783815868 JTZMTGJGGADSDH-QWHCGFSZSA-N 241.338 3.697 30 20 BHED C/C=C(/CC)C(=O)O[C@H](C)c1cccc(C#N)c1 789368398 ZBWVXZPEDLZDHN-NDNQJLCISA-N 243.306 3.519 30 20 BHED CC[C@H](C)NN=C[C@@H]1CCC[C@@H](CC)C1 790190058 MXXIPDGMZAEXMQ-YNEHKIRRSA-N 210.365 3.577 30 20 BHED CC1(C)CCC[C@@H]1OC(=O)CCCCCC#N 805696915 PCRMWMXHXCLCQK-LBPRGKRZSA-N 237.343 3.582 30 20 BHED CCCCCCC[C@@H](C)NC(CF)CF 824554615 INHTUUUSAGKIPC-LLVKDONJSA-N 221.335 3.633 30 20 BHED N#CCCSCc1ccc(Cl)nc1Cl 840214801 UQLMUWJGJHWXEV-UHFFFAOYSA-N 247.150 3.535 30 20 BHED CC(=NOCC(C)C)[C@@H]1C[C@H]1c1cccs1 841634099 VZOSXKWQFKGZMX-NWDGAFQWSA-N 237.368 3.900 30 20 BHED C[C@@H]1CCCCN1N=Cc1ccc2occc2c1 853381912 OOTFLEXPCRJIDM-GFCCVEGCSA-N 242.322 3.641 30 20 BHED C=CCCNc1cnn([C@H](C)CC)c1C1CC1 902190446 NNENBSPBHLGAGN-LLVKDONJSA-N 233.359 3.720 30 20 BHED CCON=Cc1ccc(-c2ccc(C)cc2)o1 912809225 UHNGCQYEXRUWFA-UHFFFAOYSA-N 229.279 3.625 30 20 BHED Cc1ccc([C@@H](C)/N=C/c2ccccc2O)s1 920175258 ULTDNASEYGQTRO-BTAWCLGRSA-N 245.347 3.942 30 20 BHED C[C@H](NCCCCC#N)c1coc2ccccc12 924941216 DZGYMOBABCVYLK-LBPRGKRZSA-N 242.322 3.777 30 20 BHED C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1C(C)(C)C 931987089 APMACTJYAYOAQG-QWHCGFSZSA-N 237.387 3.626 30 20 BHED C[C@H](S)c1ccc2ccccc2c1O 20476555 ZOJLOHGLXUPFSX-QMMMGPOBSA-N 204.294 3.536 30 20 BHED C=C(Cl)CNCC[C@@H](C)c1ccccc1 61910559 WAPZTZXFTICBSK-LLVKDONJSA-N 223.747 3.522 30 20 BHED CC[C@@H](C)C[C@@H](C)Nc1snc(C)c1C#N 86254765 PCRKYUDCVNLAGP-RKDXNWHRSA-N 237.372 3.560 30 20 BHED C=CC[C@H](C)NC(=O)c1ccc(C(C)C)cc1 116860023 ODBLCZNNVMKRCL-LBPRGKRZSA-N 231.339 3.504 30 20 BHED C=CC[C@@H](C)NC(=O)Nc1ccccc1CCC 116999660 OSZQILYZUINUSE-GFCCVEGCSA-N 246.354 3.725 30 20 BHED CCCCCCCCSC[C@@H](C)CO 117462988 NZISLDZWQWNLAL-LBPRGKRZSA-N 218.406 3.709 30 20 BHED C[C@H](NCCCCC#N)C(C)(C)c1ccccc1 118955432 UHIMCPYPARJXOZ-AWEZNQCLSA-N 244.382 3.636 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@@H](CCC)C1 153184754 JGKMXGIRVLOMCX-CQSZACIVSA-N 249.398 3.794 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cc(C)cc(C)c1 161640150 DLEXDGWZPGQDRC-ZIAGYGMSSA-N 217.356 3.919 30 20 BHED Cc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1F 185723637 CVWWQHHHCKWLHM-NWDGAFQWSA-N 232.302 3.628 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccccc1SC 191796323 OIXSGBXYOPFISN-CQSZACIVSA-N 249.379 3.949 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccc(C)o1 281571601 KMLQKXQTUCUXJS-NEPJUHHUSA-N 207.317 3.593 30 20 BHED C=C(C)CCSCc1noc(C(C)(C)C)n1 285178685 UKOLEJDINCYLMX-UHFFFAOYSA-N 240.372 3.567 30 20 BHED N#Cc1ccccc1CSCCCCF 285222156 XQGVGOOBSURHNU-UHFFFAOYSA-N 223.316 3.541 30 20 BHED C=CCCCCNCc1ccccc1OCC 310296784 PCCLHAQDZOJIRP-UHFFFAOYSA-N 233.355 3.531 30 20 BHED CC(C)(C#N)CCn1ccc(-c2ccsc2)n1 337135552 NYBFGFJDEKCCNA-UHFFFAOYSA-N 245.351 3.551 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1cnc(C)s1 378731116 AVNZZPVHDWLCCF-JTQLQIEISA-N 238.400 3.704 30 20 BHED C=CC[C@H](CC)NC(=O)[C@H]1CCCC(C)(C)C1 410120719 HOGLSEBYYCVEMQ-STQMWFEESA-N 237.387 3.674 30 20 BHED CC[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 414221022 KFZKEBXBLUVDMH-NUEKZKHPSA-N 242.366 3.810 30 20 BHED CC[C@H](C)CN[C@@H]1CCCc2cc(C#N)ccc21 418143930 JOGGPHSCQORRKF-BLLLJJGKSA-N 242.366 3.571 30 20 BHED C=CCC(C)(C)C(=O)N(C)[C@H](C)CCCC 429950758 QJCHLTSUJUMHOQ-GFCCVEGCSA-N 225.376 3.626 30 20 BHED C=CCCC1(C(=O)N[C@@H](C)CC(C)(C)C)CC1 457187960 FJQHGVSJAGJBOM-LBPRGKRZSA-N 237.387 3.674 30 20 BHED Cc1cc(CN(C)c2ccccc2)ccc1C#N 486820546 PUVOJTPDRZVLGE-UHFFFAOYSA-N 236.318 3.503 30 20 BHED C=CCCN1CCC[C@H](Cc2ccccc2)C1 524811267 BTOILFVATMSFTC-MRXNPFEDSA-N 229.367 3.517 30 20 BHED Cc1ccc(NC[C@@H](C)CCC#N)c(C)c1 602492760 QAUAXNNGVHHQDL-LBPRGKRZSA-N 216.328 3.655 30 20 BHED C=CCCc1noc([C@@H]2C[C@H]2CC(C)(C)C)n1 647407654 KGNHCYGPVOQUHB-WDEREUQCSA-N 234.343 3.728 30 20 BHED C=CCCC(C)(C)NCCCc1ccc(C)nc1 668778218 LBRAGRWVONRLDN-UHFFFAOYSA-N 246.398 3.657 30 20 BHED CCCC1CCC(=NNC2CCCC2)CC1 727651929 DORQGNPJFAVAQM-UHFFFAOYSA-N 222.376 3.865 30 20 BHED Cc1cccc(NN=Cc2ccc(F)c(C)c2)c1 729140516 GRIHVQMAJFYKRM-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C=C(C)CCOC(=O)C[C@@H](C)c1ccccc1C 744304791 DGUDZCFSZNDOJL-CQSZACIVSA-N 246.350 3.998 30 20 BHED CCC(CC)NN=Cc1coc2ccccc12 746578248 ZMMFTRIKQJDZPK-UHFFFAOYSA-N 230.311 3.545 30 20 BHED CCc1ccc(C(C)=NO[C@H]2CCCCO2)cc1 755818234 QFYLKSKZHJKRGY-HNNXBMFYSA-N 247.338 3.516 30 20 BHED CCC(=NOCC(F)(F)F)c1ccc(C)cc1 764843976 DSQFPIUJXXBFJK-UHFFFAOYSA-N 245.244 3.688 30 20 BHED CC[C@H]1C[C@@H](C)CCC1=NNc1ccc(F)cn1 769587777 YTEBTEGZLDIBDR-QWRGUYRKSA-N 249.333 3.835 30 20 BHED Fc1cccc(C=NOC2CCCCC2)c1F 777460523 YDQTZFOHSRIHNL-UHFFFAOYSA-N 239.265 3.648 30 20 BHED C=C[C@@H](C)OC(=O)c1[nH]c2ccccc2c1Cl 781575592 RZJZPNALLDZZKR-MRVPVSSYSA-N 249.697 3.553 30 20 BHED C=CCCN(C)C(=S)Nc1ccc(C)c(C)c1 786082470 GUALVEMKRVXVHW-UHFFFAOYSA-N 248.395 3.508 30 20 BHED C=CCCC(CC)=NOCc1ccccc1OC 799118204 UUUZNQUZMRHXOO-UHFFFAOYSA-N 247.338 3.944 30 20 BHED C=CCCCCCCCNC(=O)[C@H]1C[C@@H]1C1CC1 810767402 VSGRZCGJRQKZME-CABCVRRESA-N 249.398 3.675 30 20 BHED CCCCCC(C)=NN[C@@H](C)c1ccncc1 819816316 ZHHLWFARCMHMMK-ZDUSSCGKSA-N 233.359 3.688 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)c1ccc(C)cc1F 823962691 JWZLBGRRRMGHHI-UHFFFAOYSA-N 249.329 3.699 30 20 BHED CC(C)(C#N)CCCOC(=O)/C=C/C1CCCC1 830787932 LBTDYDIRKZJRIB-CMDGGOBGSA-N 249.354 3.606 30 20 BHED CCCCC=NNc1cc(C(F)(F)F)ccn1 834983761 FWPGRMUEQMYLBS-UHFFFAOYSA-N 245.248 3.688 30 20 BHED C=CCC1(CNC(=O)/C(=C/C)CC)CCCC1 836990941 LQZJIHQQHJVIIH-WLRTZDKTSA-N 235.371 3.595 30 20 BHED C[C@]1(C=NOC2CCC2)C[C@@H]1c1ccccc1 841640170 XTAYKSUAPSLXPV-HUUCEWRRSA-N 229.323 3.735 30 20 BHED C=CCN(Cc1ccnc(Cl)c1)C(C)(C)C 852554361 KFFOJZHILUXFAO-UHFFFAOYSA-N 238.762 3.522 30 20 BHED CCCCNN=C(C)c1oc2ccccc2c1C 915966276 OJBBQNAKHJEFTB-UHFFFAOYSA-N 244.338 3.855 30 20 BHED Cc1ccc2sc(S[C@H](C)C#N)nc2c1 919623647 XWOBSFPVWGSGBE-MRVPVSSYSA-N 234.349 3.609 30 20 BHED C#Cc1c[nH]c2ccc(OCc3ccccc3)cc12 1898243715 LNTDTLBOAGJJRH-UHFFFAOYSA-N 247.297 3.728 30 20 BHED N#CCc1ccc(NCc2cccc(F)c2)cc1 35046247 DHQONVUGGZYDHV-UHFFFAOYSA-N 240.281 3.504 30 20 BHED C[C@@H](NC[C@@H]1CC=CCC1)c1ccc(C#N)cc1 35256382 ONTZZGAUUPAQOD-UKRRQHHQSA-N 240.350 3.565 30 20 BHED CC[C@H](C#N)Sc1ccc(Cl)cc1 43557462 JXBULROYFNDMGS-SECBINFHSA-N 211.717 3.734 30 20 BHED C=C(C)CN1CCC[C@@H]1c1cccc(C)c1 56305153 CZLPVUZZVUWGOL-OAHLLOKOSA-N 215.340 3.708 30 20 BHED C[C@H]1CC[C@@H](Nc2ccc(C#N)c(Cl)c2)C1 70760711 GWLSMRKUPQATCR-GXSJLCMTSA-N 234.730 3.812 30 20 BHED COCC[C@H](C)S[C@H](C)c1ccc(C#N)cc1 88306829 QOCTVFNDLNXLTA-NWDGAFQWSA-N 249.379 3.777 30 20 BHED C=CCCC(=O)Oc1cc(C)ccc1Cl 102216814 OEHAHLDVIOHIGI-UHFFFAOYSA-N 224.687 3.520 30 20 BHED Cc1cc(C)cc(C(=O)/C=C/c2cccnc2)c1 107066925 XLHRMQCRIHLQQM-AATRIKPKSA-N 237.302 3.595 30 20 BHED C=C(CN[C@H](CC)C(C)C)c1ccccc1 132310245 QEEFZJZRFFUGIW-OAHLLOKOSA-N 217.356 3.724 30 20 BHED Cc1ccc(NCC(C)(C)CCC#N)cc1F 155650483 ULNZULKVUYEMLG-UHFFFAOYSA-N 234.318 3.876 30 20 BHED C=C[C@H](C)NC1CCC2(CCCC2)CC1 161373114 BAMAFMRFYOKYID-LBPRGKRZSA-N 207.361 3.654 30 20 BHED N#CCCCCSCc1ccc(F)cc1F 161936062 AUGXQEFDXDYADW-UHFFFAOYSA-N 241.306 3.892 30 20 BHED C=C(C)CCNCc1ccccc1C(F)(F)F 164424045 LPUXTULOVRZXCK-UHFFFAOYSA-N 243.272 3.761 30 20 BHED C=CCC(CC=C)C(=O)N(C)C1CCC(C)CC1 176901382 DULBHANALUJAPE-UHFFFAOYSA-N 249.398 3.792 30 20 BHED C=CCCN[C@@H](CC)c1cc(F)ccc1F 179782074 KUBLNFWDSZZIPA-ZDUSSCGKSA-N 225.282 3.582 30 20 BHED C=CCOc1cccc(NC(=O)C[C@H](C)CC)c1 190026531 RGZOCZWMQFRMNY-GFCCVEGCSA-N 247.338 3.626 30 20 BHED C[C@H]1CC(C)(C)C[C@@H]1Nc1ccc(CC#N)cc1 235546199 SCVOUHNJQYFTBF-WFASDCNBSA-N 242.366 3.989 30 20 BHED Cc1ccc2c(c1)C(=O)/C(=C/c1cccnc1)CC2 255494301 OXIUGWFADKSEPX-XNTDXEJSSA-N 249.313 3.603 30 20 BHED C=CCCCN[C@@H](C)c1cc(C)ccc1OC 301726785 BCCKAFCYCMCPKD-ZDUSSCGKSA-N 233.355 3.620 30 20 BHED N#Cc1ccc(Cl)cc1OCCCCCF 304449581 XIANNKXSFZOUGE-UHFFFAOYSA-N 241.693 3.730 30 20 BHED C=C(CC)CSc1nc(C)c(C)s1 308293149 INUPSINZFYTOGP-UHFFFAOYSA-N 213.371 3.818 30 20 BHED C=C(Cl)CN[C@H](C)c1ccc(F)c(C)c1 308994678 MCVWUPDTJXPUPW-SNVBAGLBSA-N 227.710 3.537 30 20 BHED C=CCC[C@@H](CCC)NC/C=C\C1CC1 378853344 HTLXXXLKGULUMZ-IQCBXXCUSA-N 207.361 3.677 30 20 BHED CCCCCCCNCC1(CC)CCOCC1 383896432 MWXFXPIXVIPCGK-UHFFFAOYSA-N 241.419 3.753 30 20 BHED C=CCCCCC[C@H](C)NC1CCSCC1 390524660 GIIJJBDQPJONPE-ZDUSSCGKSA-N 241.444 3.997 30 20 BHED C=C[C@@H]1CCCCN1C[C@@H]1C[C@@H]1c1ccccc1 426542348 DXMOQVAEXUQWGD-GVDBMIGSSA-N 241.378 3.831 30 20 BHED N#C[C@H]1CC[C@H](Sc2ccc3c(c2)CCC3)C1 430131827 MXAOKRLJGWJUOH-FZMZJTMJSA-N 243.375 3.960 30 20 BHED C=CCN1CCCC2(CCCCCC2)C1 464763082 ZNMRPEMTDSOGTD-UHFFFAOYSA-N 207.361 3.609 30 20 BHED C=C[C@H]1CCCCN1Cc1ccc(F)cc1F 489460791 HNYPJBHWPVKONY-ZDUSSCGKSA-N 237.293 3.505 30 20 BHED C=C(C)CCOc1c(F)cccc1Cl 506445167 RMNPYSIALXZHFI-UHFFFAOYSA-N 214.667 3.824 30 20 BHED C=CCC1(NCc2ccnc(C)c2)CCCCC1 527715269 FAOSKDCPAGVVNM-UHFFFAOYSA-N 244.382 3.759 30 20 BHED Cc1cccc(CCCn2cc(C)c(C#N)c2)c1 537559090 XBPKVULLBQWZGL-UHFFFAOYSA-N 238.334 3.609 30 20 BHED C=CCCCc1nc([C@@H]2CCCC[C@@H]2C)no1 547106280 VMFWBSGXIYWBLP-NWDGAFQWSA-N 234.343 3.872 30 20 BHED CC#CCCCc1nc([C@H]2CCC[C@H](C)C2)no1 565505584 RJWGOIJPRZCFKU-STQMWFEESA-N 246.354 3.709 30 20 BHED C=C(CC)CN[C@H](C)[C@H](C)c1ccc(OC)cc1 569649224 JOWNDGLMUDWXDB-UONOGXRCSA-N 247.382 3.743 30 20 BHED CCCCOC(=O)c1ccc(N=[N+]=[N-])cc1 585142721 KYXBVNJVUKGTKD-UHFFFAOYSA-N 219.244 3.585 30 20 BHED C=CCN(C)c1ccc(-c2ccccc2)cc1 608502107 RLHCWROETPQEFR-UHFFFAOYSA-N 223.319 3.976 30 20 BHED CC(C)=CCC[C@H](C)CCNCC(C)(C)C#N 619509298 IKOSAWMNXUCBMF-AWEZNQCLSA-N 236.403 3.898 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(C(F)F)nc1 658026920 IIWHGUPGFWBDRJ-JTQLQIEISA-N 240.297 3.636 30 20 BHED N#CC1(CN2CCC(C3CCCCC3)CC2)CC1 708770091 JDWAJBRATJLRJJ-UHFFFAOYSA-N 246.398 3.582 30 20 BHED Cc1ccc(/C=C2\Oc3ccccc3C2=O)s1 742435434 AXDHEQGZUAANSK-JYRVWZFOSA-N 242.299 3.673 30 20 BHED Oc1ccc2ccccc2c1/C=N/C1CC=CC1 759643933 PIJTWKHGUCUCHL-GZTJUZNOSA-N 237.302 3.683 30 20 BHED C#CCCCOc1ccc(C2CCC2)cc1 767151796 VNFRJGSROPGGIK-UHFFFAOYSA-N 214.308 3.746 30 20 BHED C[C@@H]1CCC[C@H](C=NNc2ccc(C#N)cc2)C1 768359458 DYBMFVPIERGBHM-OCCSQVGLSA-N 241.338 3.782 30 20 BHED C#CC[C@H](N[C@H](C)CC1CC1)c1ccccc1 773112925 BSFAXMPOFSJEAH-CJNGLKHVSA-N 227.351 3.529 30 20 BHED C=CC[C@@H](C(=O)OCC1CCC1)c1ccccc1 778418277 LSRRETSONHYCKX-OAHLLOKOSA-N 244.334 3.690 30 20 BHED C#CCCCCCC(=O)Oc1ccc(F)c(C)c1 779987497 ZSGFBTWIFQNJRG-UHFFFAOYSA-N 248.297 3.623 30 20 BHED CC1(CNN=C2CCC23CCCC3)CCCC1 793084052 IFHPAIFHGRVYLW-UHFFFAOYSA-N 234.387 3.867 30 20 BHED CC[C@@H]1CC[C@@H](C)CC1=NOCc1cccnc1 797402006 SUHGWMIBDDUIKG-TZMCWYRMSA-N 246.354 3.800 30 20 BHED CCCCCCCC(=O)N(C)CCCSC 798738517 HNMQYEMRTWTEAA-UHFFFAOYSA-N 245.432 3.558 30 20 BHED CCCCCCCc1nc(-c2ccn(C)c2)no1 809499647 AKJUJOJHKMEOLZ-UHFFFAOYSA-N 247.342 3.588 30 20 BHED C=CCCCCOC(=O)[C@H](C)c1ccsc1 811009648 ZULPQBGISFEUMI-LLVKDONJSA-N 238.352 3.751 30 20 BHED CCCC(=NNC1CCCC1)C1CCCC1 834954127 JCOPFMJEYKNBAY-UHFFFAOYSA-N 222.376 3.865 30 20 BHED C=C[C@@H](C)ON=C(C)CCc1ccc(OC)cc1 844624702 NEEJWRDCGDSDDB-CYBMUJFWSA-N 247.338 3.595 30 20 BHED CCCC[C@H](C(=O)OCC(C)(C)C#N)C(C)C 857017717 SIOVIKCJBHOSFE-LBPRGKRZSA-N 239.359 3.542 30 20 BHED C/C=C/C=C/C(=O)OCCCCC1(C#N)CCC1 908715045 LTRFQNKHVOWAII-CRBCFSCISA-N 247.338 3.526 30 20 BHED C=C(CC)CN(C)Cc1cc2ccccc2[nH]1 1116471016 FMJBVGDIYPLKSX-UHFFFAOYSA-N 228.339 3.566 30 20 BHED CC[C@H](C#N)Sc1ncc(-c2ccccc2)o1 1116702993 CPAGMOUOSPYEIE-LLVKDONJSA-N 244.319 3.736 30 20 BHED C=CCC1(c2nnc([C@@H](C)CC)o2)CCC1 1325797022 CDBRTCJBFAOFSS-JTQLQIEISA-N 220.316 3.581 30 20 BHED CCC(CC)C(C)=NNc1ccccc1C(=O)O 1776031748 VKVKKICQZHBUHE-UHFFFAOYSA-N 248.326 3.609 30 20 BHED C=C(C(=O)O)[C@H]1C=C2[C@@H](C)CCC[C@]2(C)CC1 15206758 PHYJIMYAZBSQFJ-JVLSTEMRSA-N 234.339 3.790 30 20 BHED N#Cc1ccc(F)c(CSc2ccccc2)c1 19847530 HFLNRXCOSMSXCY-UHFFFAOYSA-N 243.306 3.990 30 20 BHED C=C(C)CN(CC)C/C=C/c1ccccc1 61758718 VTHSXSYOCRAMLK-DHZHZOJOSA-N 215.340 3.598 30 20 BHED N#CCC1(CSc2cccs2)CC1 83862439 QSCJPEAQCADCIZ-UHFFFAOYSA-N 209.339 3.534 30 20 BHED Cc1ccc([C@H]2CCCCN2CCCC#N)cc1 124559265 IHVIUFRECJVPMU-MRXNPFEDSA-N 242.366 3.826 30 20 BHED C=CC[C@H](C)N[C@H]1CCC(C)(C)C[C@@H]1C 161643209 UBGOEOICTKZLLC-AVGNSLFASA-N 209.377 3.755 30 20 BHED C#CCCCNC(=O)[C@H](CC)CC1CCCCC1 172947227 NFJIWEOVDFFKHN-OAHLLOKOSA-N 249.398 3.513 30 20 BHED C=CCCCC(=O)NCCC1=CCCCCC1 186016512 HUXPRVOUAPGNDE-UHFFFAOYSA-N 235.371 3.740 30 20 BHED C#CCCCCC(=O)N1CCC(CC)(CC)CC1 188617249 ZRNKRDZSMTVLCA-UHFFFAOYSA-N 249.398 3.609 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccc(C)cc1 190124645 GDPLWUVGVMGXHQ-CJNGLKHVSA-N 245.366 3.775 30 20 BHED COc1ccsc1C(=O)/C=C\c1ccccc1 225460602 XDSKDQRIQOHGPW-FPLPWBNLSA-N 244.315 3.653 30 20 BHED CC(C)[C@H](C)Sc1ccc(C#N)cc1F 232747232 MIRFTCREGPVWLK-VIFPVBQESA-N 223.316 3.834 30 20 BHED C=CCCCCCCN[C@H](C)c1cc(C)on1 290758626 RIWCHWKVJWXGAK-CYBMUJFWSA-N 236.359 3.770 30 20 BHED Cc1cnccc1SCCCC(C)(C)C#N 292687833 FVKHITXLIIRGTC-UHFFFAOYSA-N 234.368 3.812 30 20 BHED CCCCc1ccc([C@H](NCC#N)C(C)C)cc1 302960839 OVDFYWUZKRJJPH-MRXNPFEDSA-N 244.382 3.839 30 20 BHED CC(C)=CCNc1ccc(Cl)c(C#N)c1 308843440 LBDXJDFJPSNBFC-UHFFFAOYSA-N 220.703 3.590 30 20 BHED C=CCCCCN[C@@H](C)c1cccc(F)c1F 310233415 ZNVGFGIQJUILND-NSHDSACASA-N 239.309 3.972 30 20 BHED CC(C)(CNc1ccc(C#N)nc1)C1CCCC1 338057633 QZVIBJNMDPFUCD-UHFFFAOYSA-N 243.354 3.582 30 20 BHED Cc1ccc(C)c(CNCC(C)(C)CCC#N)c1 342294467 PSOJTWKEOGTNHZ-UHFFFAOYSA-N 244.382 3.723 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1cnccc1C 344281054 AGWYXIGSHORCJO-ZIAGYGMSSA-N 232.371 3.785 30 20 BHED C=CCCC1(C(=O)Nc2cscc2C)CC1 356525930 ZBEGLDQORQTIND-UHFFFAOYSA-N 235.352 3.741 30 20 BHED C=CC[C@@H](CC)N[C@H](C)C1CCCCC1 379999013 LOBPQRYXEAZEAY-TZMCWYRMSA-N 209.377 3.900 30 20 BHED C=CC[C@@H](CC)Nc1ccc(F)cc1[N+](=O)[O-] 393779175 PRWPVRAKEXEKIW-SNVBAGLBSA-N 238.262 3.501 30 20 BHED CN(CCCC(C)(C)C#N)CCC(C)(C)C 399748810 DCXFIDIQDKPLMV-UHFFFAOYSA-N 224.392 3.684 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H](C)CC1CCCC1 410125476 XZWGVAHHYKHKEG-JSGCOSHPSA-N 237.387 3.674 30 20 BHED N#CCCSCc1ncc(Cl)cc1Cl 413011387 JIPTULHSULLELO-UHFFFAOYSA-N 247.150 3.535 30 20 BHED CCC[C@@H](NCc1ccccc1C#N)C1CCC1 448552489 AFMYMPCLPKLWRB-MRXNPFEDSA-N 242.366 3.617 30 20 BHED C=CCCCC[C@H](C)NC[C@H]1CCC[C@H]1OC 449199981 CXQLKFGUEIZMOH-RRFJBIMHSA-N 239.403 3.526 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1cc(C)c(C)o1 453303877 DLQBFNHVURKNDL-NSHDSACASA-N 221.344 3.759 30 20 BHED C=CCC(CC=C)C(=O)N(CCC)CC(C)C 467828998 RYZZJYRWLQEEFS-UHFFFAOYSA-N 237.387 3.649 30 20 BHED CCCN(CC#N)C[C@@H](c1ccccc1)C(C)C 474145782 FJRPYWJOYNAQDO-MRXNPFEDSA-N 244.382 3.662 30 20 BHED C=CCCC(=O)NC1CCC(CC)(CC)CC1 475791115 LUIXOFPSYPFXCI-UHFFFAOYSA-N 237.387 3.818 30 20 BHED C=CCNC(=O)CC1CCC(C(C)(C)C)CC1 479827689 FBNHUUAYYKCOBO-UHFFFAOYSA-N 237.387 3.531 30 20 BHED C=C[C@@H]1CCCCN1C/C=C\c1ccccc1 489433459 UJFYFCPSSGNPCK-JXMNSVBMSA-N 227.351 3.740 30 20 BHED C=CCN(C)[C@@H](C)CCSc1ccccc1 494689423 HRUKESFJXYPYAE-ZDUSSCGKSA-N 235.396 3.675 30 20 BHED C=CCN(Cc1cccc(C#N)c1)[C@H](C)CCC 501114953 XCONWFRLFSSNAM-CQSZACIVSA-N 242.366 3.735 30 20 BHED C=C(C)CCSc1cccc(C#N)c1 505540148 LTRVDBXBDLRWRB-UHFFFAOYSA-N 203.310 3.617 30 20 BHED C=C(CC)CN[C@@H](C)C(C)(C)c1ccccc1 540354989 VKFBHGLDZDYDKZ-AWEZNQCLSA-N 231.383 3.909 30 20 BHED CC#CCCNC(=O)[C@@H](CC)CC1CCCCC1 542671586 AFGBBARZFDODTF-HNNXBMFYSA-N 249.398 3.513 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1ccc(C)nc1C 645477661 FJLFWHNMARHRQD-CYBMUJFWSA-N 246.398 3.951 30 20 BHED C=CCN(C(=O)C[C@@H](C)CC(C)(C)C)C1CC1 678499333 AFWXAJVCACAVKJ-GFCCVEGCSA-N 237.387 3.626 30 20 BHED C=C(C)CCN1CCc2cc(F)ccc2[C@@H]1C 681403202 FPQKJOYVGRSFBZ-LBPRGKRZSA-N 233.330 3.711 30 20 BHED C[C@H]1CCCC1=NN[C@H](C)c1ccccc1 729142425 SLBMVBIIZJVNKW-NWDGAFQWSA-N 216.328 3.513 30 20 BHED C=C(Cl)CN(C1CC1)[C@@H](C)c1ccccc1 747684391 ZQNZLRSZZFEJKK-LBPRGKRZSA-N 235.758 3.965 30 20 BHED C[C@H]1CC(=NOCCC(F)(F)F)C[C@H](C)C1 777459866 MQSHNXNAQVRXRS-RKDXNWHRSA-N 237.265 3.768 30 20 BHED CC1(C)CCC(=NNc2cccc(C#N)c2)C1 783820422 FDSWYMPALGHNGU-UHFFFAOYSA-N 227.311 3.536 30 20 BHED CC(CC1CCCC1)=NN[C@@H](C)C(C)(C)C 793115689 OSUOXVQAGNWQHW-LBPRGKRZSA-N 224.392 3.967 30 20 BHED COCCCON=C[C@H](C)CC1CCCCC1 795053223 KAHDTTVOIHGBBL-CYBMUJFWSA-N 241.375 3.632 30 20 BHED CC(C)C[C@@H](C)C=NNc1nc2ccccc2[nH]1 799104359 PBNOJTMGVHRBHX-LLVKDONJSA-N 244.342 3.643 30 20 BHED CC[C@@H]1CC[C@H]1Nc1ccccc1O[C@@H](C)C#N 806158357 LBORLPQZUROIGQ-YNEHKIRRSA-N 244.338 3.578 30 20 BHED C#CCCCCc1nc(CC2(C)CCCC2)no1 809534543 MABMHOPWFIIIFW-UHFFFAOYSA-N 246.354 3.538 30 20 BHED C=CCCCCCCCNCc1ccccn1 810160629 NTUDASWMQCCRIL-UHFFFAOYSA-N 232.371 3.698 30 20 BHED Cl/C=C\CON=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 811671301 CPEAQSSKTGQBBG-XVPOYQNLSA-N 239.746 3.568 30 20 BHED C[C@H](NN=C1CC[C@H]1C1CCC1)c1ccccc1 814815212 QFDYKIDMLMPABW-WFASDCNBSA-N 242.366 3.903 30 20 BHED CCCCCCCC[S@](=O)CC1CC1 840883322 LJDCOWQTFQISJR-AWEZNQCLSA-N 216.390 3.506 30 20 BHED Cc1cc(C)c(C#N)c(SC2CCCC2)n1 57681837 PYHDFOOCCXCNQI-UHFFFAOYSA-N 232.352 3.605 30 20 BHED CCN(CCCCC#N)c1cc(C)ccc1C 171033572 CYRXCLQEJUWUNH-UHFFFAOYSA-N 230.355 3.824 30 20 BHED C=CCCCC(=O)N1CCC[C@@H]1C1CCCC1 175392090 BAPGBHNKPNLFRR-CQSZACIVSA-N 235.371 3.524 30 20 BHED Cc1ccccc1[C@@H](C)N[C@H]1CCC[C@H](C#N)C1 185756685 IBOBNKCFVJVMET-ILXRZTDVSA-N 242.366 3.728 30 20 BHED C=CCC1(C(=O)N(CC)C[C@@H](C)CC)CCC1 188851335 BZWLZSLKRAFXKP-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C=CCCCCCN(CC)Cc1ccccn1 193387469 OHEIDLKZHLNGFJ-UHFFFAOYSA-N 232.371 3.650 30 20 BHED CC1(C)CC[C@H](Nc2cc(F)cc(C#N)c2)C1 227631135 ZNKDVIBPZXIXNS-LBPRGKRZSA-N 232.302 3.688 30 20 BHED C=CCCC(=O)N(Cc1ccccc1F)C(C)C 263685005 PSNGECMAGHUIEW-UHFFFAOYSA-N 249.329 3.529 30 20 BHED C=CCNc1cc(Cl)ccc1SC 306216109 PKDOOCQXWFLPIN-UHFFFAOYSA-N 213.733 3.660 30 20 BHED Cc1cc(C#N)cc(NC[C@H](C)CC(C)C)c1 308107147 PEIKVSHWBOJNBR-CYBMUJFWSA-N 230.355 3.961 30 20 BHED CC(C)CN(CCCC#N)Cc1ccccc1F 346772672 AFHMFXIBRWZBDN-UHFFFAOYSA-N 248.345 3.587 30 20 BHED Cc1sccc1CN1CCCC(C)(C)[C@@H]1C#N 353216670 FUNLCKRIVGMWST-ZDUSSCGKSA-N 248.395 3.571 30 20 BHED C[C@H]1CCC[C@@H](C)N(Cc2ccc(C#N)cc2)C1 353883573 UWPQDHLOJQNXSZ-UONOGXRCSA-N 242.366 3.569 30 20 BHED C=CC[C@H](CC)N[C@@H]1CC[C@H](C)C[C@H]1C 379920413 HDSNCHSBNGUDCE-RFQIPJPRSA-N 209.377 3.755 30 20 BHED C=CCCCCCCNc1ccccn1 389310867 BQNWNQBWENIEHS-UHFFFAOYSA-N 204.317 3.630 30 20 BHED C=CCOc1ccc(CNC2CC(C)(C)C2)cc1 395182965 OXSGAQWSFHAGST-UHFFFAOYSA-N 245.366 3.530 30 20 BHED CCCC[C@@H]1CCC[C@@H]1NCC1(CC#N)CC1 430741938 KJIHSDPPDHRJDX-KGLIPLIRSA-N 234.387 3.629 30 20 BHED CCCc1ccccc1N[C@H]1CC[C@H](C#N)C1 442867081 NRPJYDCTCBBVAL-JSGCOSHPSA-N 228.339 3.743 30 20 BHED CCC[C@@H](CC)NC1CCC(C)(C#N)CC1 449130726 HODGNVJRGLASDL-IYXRBSQSSA-N 222.376 3.627 30 20 BHED CC(C)CC[C@@H]1CC[C@@H](NCCCCC#N)C1 449131253 LDVACMKKHNATIF-HUUCEWRRSA-N 236.403 3.875 30 20 BHED C=CC(C)(C)C(=O)N(C)C1CCC(CC)CC1 459963526 RTOHHTRMKKJFJI-UHFFFAOYSA-N 237.387 3.626 30 20 BHED CC#CCS[C@@H](C)c1ccc(F)cc1 463258395 NOAMWPINFGXHDE-JTQLQIEISA-N 208.301 3.643 30 20 BHED C=CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 467057003 HKQUZUWZEFXROP-RBSFLKMASA-N 249.398 3.627 30 20 BHED C=C[C@H]1CCCCN1C(=O)C[C@@H](C)C(C)(C)C 488879403 LWXPNEMZUPNYGU-OLZOCXBDSA-N 237.387 3.626 30 20 BHED C=C(C)CCc1noc(C[C@H](C)c2ccco2)n1 528194050 XUWJVXCHHSJRDQ-NSHDSACASA-N 246.310 3.518 30 20 BHED C/C(Cl)=C\CN(C)[C@@H](C)c1cccc(C#N)c1 528525457 KQSXKYROGLPGEN-VNKGSWCUSA-N 248.757 3.694 30 20 BHED C=CC[C@@H](C)[C@@H](C)Nc1cnn(CC(C)C)c1C 537474186 BHUVYHONTSDRJO-CHWSQXEVSA-N 249.402 3.860 30 20 BHED C=C[C@@](C)(CC)C(=O)NC(C1CCC1)C1CCC1 553630778 SLPLBXNFUDBYKF-INIZCTEOSA-N 249.398 3.674 30 20 BHED CC[C@@H]1CCC[C@H](C)N1CCCC(C)(C)C#N 595868222 UEWRCKBGENCQAF-UONOGXRCSA-N 236.403 3.969 30 20 BHED CC[C@@H](NC[C@@H](C)CCC#N)c1ccccc1 602523460 CVDSUPLFZUMIAZ-DZGCQCFKSA-N 230.355 3.667 30 20 BHED Cc1cccc2c1CC[C@@H]2NC[C@@H](C)CCC#N 602539061 AVCDJQJBBZUILY-LRDDRELGSA-N 242.366 3.512 30 20 BHED C=CC[C@H](C)NC(=O)c1ccc(CC(C)C)cc1 604881267 CKQVDVVFSMVLTM-ZDUSSCGKSA-N 245.366 3.580 30 20 BHED CC[C@H](C)[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618801358 AKPIUBVYGHKXJF-HWWQOWPSSA-N 242.366 3.570 30 20 BHED C#CCCCN[C@@H](C)c1csc2ccccc12 754744323 TZJBCYWXMBMGKB-LBPRGKRZSA-N 243.375 3.965 30 20 BHED CCCCCCCCNC(=O)[C@H](C)C1CC1 754853701 JNOZCFYZPCGPCN-GFCCVEGCSA-N 225.376 3.509 30 20 BHED C#CCCCCCc1nc([C@H](C)CCC)no1 761854392 OWYMELSTMOPRHM-GFCCVEGCSA-N 234.343 3.709 30 20 BHED CC(CCC1CCCCC1)=NNc1cnn(C)c1 761885075 NNKGWEWJNZDAJZ-UHFFFAOYSA-N 248.374 3.568 30 20 BHED C#CCCCN(CC)Cc1ccc(Cl)cc1 766896838 XIQXPRGKODEFAS-UHFFFAOYSA-N 235.758 3.575 30 20 BHED Clc1ccc(CNN=C2CC3(CCC3)C2)cc1 772844123 KTHRWACOMAGQOA-UHFFFAOYSA-N 248.757 3.750 30 20 BHED CC(C)[C@@H](C=NOCC1CC1)c1ccccc1 814241800 OJQXRFLVUIVULB-OAHLLOKOSA-N 231.339 3.839 30 20 BHED C=C(C)COc1c(C=O)ccc2ccccc12 814782991 SJMRAPYQTHLIGZ-UHFFFAOYSA-N 226.275 3.607 30 20 BHED C=C(C)C(C)(C)C(=O)OCc1csc(C)c1 821073544 KWVSXWQFZLFXRW-UHFFFAOYSA-N 238.352 3.702 30 20 BHED Cc1ccc(C=NOCc2ccccc2)cc1 824663949 QAMXLZITFHKIKM-UHFFFAOYSA-N 225.291 3.546 30 20 BHED C=C(CC)CN[C@@H](C)c1cc(Cl)ccc1O 834903469 PQUOPDCSTHXGOU-JTQLQIEISA-N 239.746 3.662 30 20 BHED C=CCCCCC[C@H](C)N[C@@H](C)c1ccn(C)n1 839193083 YKTFBWBQETYAHF-KBPBESRZSA-N 249.402 3.596 30 20 BHED C=CCC1(NC(=O)c2occ(C)c2C)CCCC1 1331279740 IJUWIDLVJHZXFR-UHFFFAOYSA-N 247.338 3.515 30 20 BHED C=C(CC)C(=O)N(C)[C@@H](C)c1cc(C)ccc1C 1548623733 QNBRSOLFSAYJMQ-AWEZNQCLSA-N 245.366 3.789 30 20 BHED C[C@@H](N[C@H](C)C1CCCC1)c1ccc(C#N)cc1 54079166 CZFPOHVXAPCZOK-CHWSQXEVSA-N 242.366 3.788 30 20 BHED CCCCCCNc1ccc(F)cc1C#N 70468385 WHDVKGNUVHPXQH-UHFFFAOYSA-N 220.291 3.690 30 20 BHED CC[C@@H]1CCCN(CCCC(C)(C)C#N)CC1 87608779 SZDNGMHGMKLOLT-CQSZACIVSA-N 236.403 3.828 30 20 BHED C[C@@H](c1ccc(C#N)cc1)N1Cc2ccccc2C1 118398687 VDDNLWVHVMWQFJ-ZDUSSCGKSA-N 248.329 3.635 30 20 BHED C=CC[C@H](C)N[C@@H]1CCc2c(C)cccc21 129627835 NOBBIHVQQWTYRB-SWLSCSKDSA-N 215.340 3.537 30 20 BHED N#CCCCSCc1ccc(F)cc1F 190972105 ICGZVBYXRKKZAZ-UHFFFAOYSA-N 227.279 3.502 30 20 BHED C[C@@H](Oc1cccc(F)c1)c1ccc(C#N)cc1 194621903 YJPUSFBUXMSDSC-LLVKDONJSA-N 241.265 3.837 30 20 BHED Cc1ccc(CNc2cc(F)cc(C#N)c2)s1 227615262 FEYMLGVIRKLDCX-UHFFFAOYSA-N 246.310 3.679 30 20 BHED CC[C@@H](C)CSCCOc1cccc(C#N)c1 229046386 DLNSEZKVWPJQGC-GFCCVEGCSA-N 249.379 3.716 30 20 BHED C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1CCCC#N 296705420 MTADTGIINGBNOW-IJEWVQPXSA-N 242.366 3.557 30 20 BHED C=CCOCCN[C@H](C)c1ccc(C(C)C)cc1 381028324 IKWQMNMAHKEJCG-CQSZACIVSA-N 247.382 3.663 30 20 BHED C=CCCC[C@H](C)N[C@@H]1CCCc2occc21 398138154 YLHZBXLRRMIELO-GXTWGEPZSA-N 233.355 3.991 30 20 BHED Cc1cc([C@@H](C)NCC(C)(C)CC#N)cs1 414171825 VKEVYDFRSNUXBN-LLVKDONJSA-N 236.384 3.647 30 20 BHED C=CCCCCCSc1ccc(C#N)cn1 447290388 MRCLDUKOEPCHDS-UHFFFAOYSA-N 232.352 3.792 30 20 BHED N#Cc1c(Cl)cccc1N[C@@H]1CC[C@@H](F)C1 450534806 IDNUBGKLVKFHOG-RKDXNWHRSA-N 238.693 3.514 30 20 BHED C=CCC(CC=C)C(=O)NC[C@H]1CCC[C@@H](C)C1 467346690 LJEAGMSXCVTGOW-KGLIPLIRSA-N 249.398 3.697 30 20 BHED CCc1ccc(/C=C/c2ncccc2C#N)cc1 485981863 JLQWLHOWLSXTHE-MDZDMXLPSA-N 234.302 3.686 30 20 BHED C=C(C)CN(Cc1cccc(F)c1)C(C)C 516307527 QINMTCOUHIXUJU-UHFFFAOYSA-N 221.319 3.612 30 20 BHED C=C(C)CCN1CCC(c2ccccc2F)CC1 566634838 RKGGLAZRXABXKI-UHFFFAOYSA-N 247.357 3.971 30 20 BHED Cc1cccc(N[C@@H]2CCc3ccc(C#N)cc32)c1 574799638 WQTQHIAXUOLJJX-QGZVFWFLSA-N 248.329 3.966 30 20 BHED CCN(C[C@@H](C)c1ccc(C)cc1)C[C@@H](C)C#N 600113884 YGEWFPYHDDUSCY-LSDHHAIUSA-N 244.382 3.580 30 20 BHED Cc1cc(-c2ccccc2)ccc1N[C@@H](C)C#N 603585162 QFUDBYZJZIWNOD-ZDUSSCGKSA-N 236.318 3.986 30 20 BHED C#CCCOC(=O)[C@@H](CC)CC1CCCCC1 734080207 LVCLGFJSHCRFGL-AWEZNQCLSA-N 236.355 3.550 30 20 BHED C#CCCSCc1cccc(OC(F)F)c1 751787112 SNPZBPFWVULGAN-UHFFFAOYSA-N 242.290 3.545 30 20 BHED C=CC[C@@H](NC[C@@H]1CC=CCC1)c1ccncc1 752079683 KGDNAIROXYWLSY-GDBMZVCRSA-N 242.366 3.645 30 20 BHED COc1ccsc1C=NNc1cccc(C)c1 764650330 VCNPCSFGDRHJSB-UHFFFAOYSA-N 246.335 3.511 30 20 BHED C#CCCCCCC(=O)N(C)[C@H]1CCCC[C@@H]1C 779804365 DKWZYIQZZMZCFG-GJZGRUSLSA-N 249.398 3.607 30 20 BHED CC1(C)CCC[C@H]1NN=C1CCC2(CC1)CC2 782289840 WBTWLLBSKZARAI-CYBMUJFWSA-N 234.387 3.865 30 20 BHED O=C(/C=C\c1scnc1C1CC1)c1ccco1 782346846 FDHSTSSUXGRHDM-WAYWQWQTSA-N 245.303 3.510 30 20 BHED C=CCCCCC[C@@H](C)NCc1cccnc1 793515699 IQWZYUWVRMVTOP-CQSZACIVSA-N 232.371 3.696 30 20 BHED CC[C@@H]1CCC1=NNc1ccc(F)cc1C 807979050 LUWKDIGLUQEZFI-SNVBAGLBSA-N 220.291 3.722 30 20 BHED CCCC[C@@H](C)C(C)=NNc1cccc(OC)n1 807981627 QANYMAQMSXUHOH-LLVKDONJSA-N 249.358 3.704 30 20 BHED C[C@H](C=NOC/C=C/Cl)C1CCCCC1 814934135 MINZKSNCNRGKLE-ZUOXSJKYSA-N 229.751 3.958 30 20 BHED C#CCCCSCCC1(C#N)CCCCC1 842176244 LRSZWBNYUCNSAN-UHFFFAOYSA-N 235.396 3.997 30 20 BHED CCCCNN=C(C)c1ccc(OCCC)cc1 915966292 OURBWDGCCUOAQK-UHFFFAOYSA-N 248.370 3.589 30 20 BHED c1ccc(NN=C2CC[C@H]3CCCC[C@@H]3C2)nc1 916274151 ZWWDKRWBBAERAV-CHWSQXEVSA-N 243.354 3.840 30 20 BHED N#Cc1ccc(SCCC2CCC2)cc1 1165546404 QMZAKVOXPDPZMH-UHFFFAOYSA-N 217.337 3.841 30 20 BHED CC(C)(C)ON=C1CCC(C(F)F)CC1 1321349162 FLURIWKKHCVZME-UHFFFAOYSA-N 219.275 3.613 30 20 BHED CCc1nc(C)c(C(C)=NOC(C)(C)C)s1 1323132267 NXKUYXWLPGMDMG-UHFFFAOYSA-N 240.372 3.553 30 20 BHED CC(C)CCC[C@H](C)Nc1ncccc1C#N 44386469 FBOYARHLQAXASS-LBPRGKRZSA-N 231.343 3.580 30 20 BHED C=C(Cl)CN[C@H](C)c1cc(C)sc1C 49507123 BDUNMCKLIQVQJS-SECBINFHSA-N 229.776 3.768 30 20 BHED C=CCCCNc1ccc(OC)c(Cl)c1 70591255 OKKBDTQFTYVRFO-UHFFFAOYSA-N 225.719 3.727 30 20 BHED CC1(C)CCC/C(=C\c2ccc(F)cc2)C1=O 90211020 GPKGCGLJNMEYJH-ZRDIBKRKSA-N 232.298 3.988 30 20 BHED CCCCCCCCCNC(=O)C(C)C 110450334 OKMMHLSMOHODKD-UHFFFAOYSA-N 213.365 3.509 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1cccc(O)c1 126598421 KMQBAUXWVTXJRR-XQQFMLRXSA-N 233.355 3.644 30 20 BHED Cc1ccccc1/C=N/OCCCC(C)(C)C#N 135475276 GKWALJGMTMUJJL-GZTJUZNOSA-N 244.338 3.676 30 20 BHED CC(C)C1CCN(c2ccc(F)cc2C#N)CC1 149115025 GORAYWKZNWBUDE-UHFFFAOYSA-N 246.329 3.570 30 20 BHED CC(C)CC1(CNCC(C)(C)CCC#N)CC1 152901541 KCJMYVRTAIXFTL-UHFFFAOYSA-N 236.403 3.732 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cc2c(s1)CCCC2 157240361 NPTNNBYSXRCIIR-MNOVXSKESA-N 235.396 3.852 30 20 BHED Cc1ncccc1/C=C1/CCCC(C)(C)C1=O 159015103 RDJCZZVJXQIKEZ-RAXLEYEMSA-N 229.323 3.553 30 20 BHED C=CC[C@@H](C)N[C@H](c1ccccc1)C1CC1 162083877 ITPPURMVRJOPHS-IUODEOHRSA-N 215.340 3.692 30 20 BHED C#CCCN[C@@H](C)c1cc2ccccc2s1 163660849 HAVDJVTYCIWJDG-NSHDSACASA-N 229.348 3.575 30 20 BHED C[C@@H](NN=C1CCCCC1)c1ccccc1 167419824 BRQLAYZIPCFKDH-GFCCVEGCSA-N 216.328 3.657 30 20 BHED C#CCCCCC(=O)Nc1c(C)cc(C)cc1C 179800776 PJSRYTVYAZJPFF-UHFFFAOYSA-N 243.350 3.744 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)c1ccc(C)cc1 187922848 XMCYQCWGOYTLNH-OAHLLOKOSA-N 231.339 3.560 30 20 BHED C=CCC1(C(=O)N[C@@H](C)C2CCCCC2)CCC1 188045424 KUTIKHAVTJVMQI-ZDUSSCGKSA-N 249.398 3.818 30 20 BHED CCCC[C@@H](CCC)Nc1cnccc1C#N 220038051 LPTIFFDYHJOMEG-CYBMUJFWSA-N 231.343 3.724 30 20 BHED O=C(/C=C\c1ccc(F)cc1)c1ccsc1 255713082 IQYVAMOQPSESDQ-UTCJRWHESA-N 232.279 3.783 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc2[nH]ccc2c1 292319645 BOPVPSDKLVJVQJ-UHFFFAOYSA-N 242.322 3.709 30 20 BHED C=CCC(C)(C)C(=O)Nc1cccc2[nH]ccc12 292928992 CITNELRWKWJZHS-UHFFFAOYSA-N 242.322 3.709 30 20 BHED CC(C)(C#N)CCCCN1[C@H]2CCC[C@H]1CC2 310044658 KAAFIOGFEKIPON-KBPBESRZSA-N 234.387 3.723 30 20 BHED CCCCCCCCN[C@H](CC)[C@H]1CCOC1 310263516 DOYDVKKJBMTSGT-LSDHHAIUSA-N 241.419 3.752 30 20 BHED CCCC[C@H](C)N(C)Cc1cccc(C#N)c1 310406195 OGIIVGMPCAYEAM-ZDUSSCGKSA-N 230.355 3.569 30 20 BHED Cc1nc(NCCC2=CCCCC2)ccc1C#N 311036586 RIWVIZQYGHIXBE-UHFFFAOYSA-N 241.338 3.564 30 20 BHED C=CCSCCCSCC(C)C 336634664 GOCWZTBTJOCZBY-UHFFFAOYSA-N 204.404 3.685 30 20 BHED Cc1ccc(C#N)c(N2C[C@@H](C)c3ccccc32)n1 341724925 XRDZKRABHDLBOQ-LLVKDONJSA-N 249.317 3.517 30 20 BHED C=CCCCCC[C@H](C)N[C@@H]1CCSC1 389883295 PRTJTBONNHCZGB-QWHCGFSZSA-N 227.417 3.607 30 20 BHED C=CC[C@@H](CC)N[C@H](C)CSC(C)(C)C 389977205 GKHBVHRTJFQFHJ-VXGBXAGGSA-N 229.433 3.851 30 20 BHED Cc1ccc(OCCCSCCC#N)cc1C 413009373 CLBNMHAAPCNIDT-UHFFFAOYSA-N 249.379 3.719 30 20 BHED C=CCCCCCSc1cc(C#N)ccn1 447295582 LOJDYMWOCAJJFO-UHFFFAOYSA-N 232.352 3.792 30 20 BHED C=CCCN(C)C[C@@H](C)c1cc(F)cc(F)c1 449268303 FRPDTXBNNYMGOH-LLVKDONJSA-N 239.309 3.576 30 20 BHED Cc1cccc(C(C)(C)NCC2(C#N)CCC2)c1 450669511 BVQLPNUNVKPXOR-UHFFFAOYSA-N 242.366 3.514 30 20 BHED C=CCC(C)(C)c1noc(-c2ccsc2C)n1 453187267 NKMNXIYISNICIY-UHFFFAOYSA-N 248.351 3.960 30 20 BHED CC(C)(CC#N)CN[C@H]1CCCC12CCCC2 459738823 YBGMPXYCEMMMAX-ZDUSSCGKSA-N 234.387 3.629 30 20 BHED C=CCCCCNC[C@@H]1C[C@H]1c1ccccc1 472052699 FWAQSXZRFUGVPX-HOTGVXAUSA-N 229.367 3.736 30 20 BHED C=CCN1CC[C@H](c2ccccc2)[C@H](CC)C1 472232072 RSVIGLRSMSXFLF-ZBFHGGJFSA-N 229.367 3.688 30 20 BHED C=C[C@H]1CCCCN1C(=O)CC1(C)CCCCC1 488884800 YXXJLOLKWTYVMU-AWEZNQCLSA-N 249.398 3.914 30 20 BHED C=C[C@@H]1CCCCN1CCCCC(F)(F)F 489452690 WTQXQQDCBOQHHJ-LLVKDONJSA-N 235.293 3.760 30 20 BHED C=C(C)CCc1noc([C@@H](C)c2ccccc2)n1 508644470 DLKZORMGDYTSHI-LBPRGKRZSA-N 242.322 3.730 30 20 BHED C=C(C)CCN(C)[C@H](C)c1ccccc1 509248067 QERHJVXXNHWHGN-CYBMUJFWSA-N 203.329 3.646 30 20 BHED C=C(C)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 511844830 NOCMKUHEPSHJPP-BRWVUGGUSA-N 241.378 3.831 30 20 BHED C=CCC[C@@H](CCC)NCCc1ccc(C)o1 532195856 PZXPEAZTXMSEPV-CQSZACIVSA-N 235.371 3.855 30 20 BHED C=C(CC)CN1C[C@@H](C)[C@H]1c1ccccc1 538002541 OIXNDPMQCWNMRS-HIFRSBDPSA-N 215.340 3.646 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)C(CC)CC 539431155 WNMDADIYNIRLOH-OLZOCXBDSA-N 239.403 3.920 30 20 BHED C=CCCN(C)Cc1ccc2ccccc2c1 546743432 BFGMVIGUTONTEZ-UHFFFAOYSA-N 225.335 3.848 30 20 BHED C=C(C)C[C@H](C)C(=O)N1CC(C)(C)[C@H]2CCC[C@@H]21 571356669 REHQPNCXMQXSKN-IHRRRGAJSA-N 249.398 3.626 30 20 BHED CC[C@@H](NCCc1cccc(C#N)c1)C(C)(C)C 582449912 WEWMWRNWQCNVFZ-OAHLLOKOSA-N 244.382 3.515 30 20 BHED CN(CCC1CCCCC1)[C@@H]1CC[C@H](C#N)C1 584517675 FRQWTGBAJKVHIM-LSDHHAIUSA-N 234.387 3.581 30 20 BHED CC[C@H](N[C@@]1(C)CC1(C)C)c1ccc(C#N)cc1 595100796 JAKAPLIIYMYOEU-HOCLYGCPSA-N 242.366 3.788 30 20 BHED N#CCCCCN1CCCCc2sccc21 619553857 HQIHEQOLOJXUFD-UHFFFAOYSA-N 234.368 3.585 30 20 BHED C=C1CCN(C(=O)[C@H](CCCC)C(C)C)CC1 621857348 YOUCKBBFTCTMLH-CQSZACIVSA-N 237.387 3.627 30 20 BHED C=CC[C@H](C)NC(=S)Nc1ccccc1CC 734985518 GFUSCMIIESNTKU-NSHDSACASA-N 248.395 3.500 30 20 BHED C#C[C@H](CC)NC(=O)C[C@@H](C)CCCCCC 754374254 IWXIXVKTCKTZBZ-UONOGXRCSA-N 237.387 3.511 30 20 BHED CCCCCC=NNc1cccc([N+](=O)[O-])c1C 755699443 ZDZFUYCCHPWZHN-UHFFFAOYSA-N 249.314 3.881 30 20 BHED CC[C@@H]1CCCC1=NNc1cccc(F)c1 758374802 JJCNYHYSFXEVRJ-SNVBAGLBSA-N 220.291 3.804 30 20 BHED C=C(C)CCOC(=O)c1cc(Cl)cs1 759550887 VELHUUBLXTUIJO-UHFFFAOYSA-N 230.716 3.525 30 20 BHED C#CC[C@H](Nc1cccc(C)n1)c1ccccc1 771757640 VQFMHWOCXGIWKC-HNNXBMFYSA-N 236.318 3.567 30 20 BHED C#CC[C@@H](NC1CCC(C)CC1)c1ccccc1 773113850 FVDHEDASJRDBKL-BDVYOWHSSA-N 241.378 3.919 30 20 BHED C=CC[C@H]1N(C[C@H]2CCC=CO2)CCCC1(C)C 775179157 LJMKTPAGYINBNJ-HUUCEWRRSA-N 249.398 3.746 30 20 BHED C=CCCC[C@@H](C)NC(=O)C(C)=C1CCCC1 776017001 ZDXYHKZNTHYHNZ-GFCCVEGCSA-N 235.371 3.738 30 20 BHED CO[C@@H](C)C(C)=NNc1ccc(C(C)(C)C)cc1 779824883 HWYLBLLSBPRZGN-LBPRGKRZSA-N 248.370 3.807 30 20 BHED CC/C(C)=C(\C)C(=O)OCCCC(C)(C)C#N 784612116 FLAWSEXBHSAJMX-VAWYXSNFSA-N 237.343 3.606 30 20 BHED C=C[C@](C)(CC)C(=O)Oc1ccc(Cl)cc1 785471114 XVNVLKXCWRPOQI-CYBMUJFWSA-N 238.714 3.848 30 20 BHED C#CCCCCN[C@H](C)C1CCC(F)(F)CC1 788984523 OKLLPOXUIBJGLO-GFCCVEGCSA-N 243.341 3.594 30 20 BHED CC[C@@H](C)CON=C(C)c1cc(C)c(C)o1 793144514 DHSUKEQYURCXIM-SECBINFHSA-N 223.316 3.683 30 20 BHED CC(=NNc1ccccc1F)c1ccccc1F 812459407 YFDWZKBJKBMAMU-UHFFFAOYSA-N 246.260 3.801 30 20 BHED C=CCC[C@@H](C)NCc1c(F)cc(F)cc1F 815650312 OFFUGTPXHJRPLQ-SECBINFHSA-N 243.272 3.548 30 20 BHED C=C(C)C(C)(C)C(=O)Oc1ccc(C)cc1 819036450 BOHITWRTLZNIAF-UHFFFAOYSA-N 218.296 3.503 30 20 BHED CC(=NOCc1cccnc1)[C@H]1CCCC[C@H]1C 834967008 WQYPTKNJEKCZAU-DOMZBBRYSA-N 246.354 3.800 30 20 BHED C=C(Cl)CNC(C)(C)c1ccc(F)c(F)c1 839543671 VYUGYDWVBHTUQT-UHFFFAOYSA-N 245.700 3.542 30 20 BHED CCC[C@@H](CC)C(=O)Nc1cc(C#N)ccc1C 874249731 SKRJSJNWTUWWON-CYBMUJFWSA-N 244.338 3.632 30 20 BHED Fc1ccc(NN=Cc2cccc(Cl)c2)cc1 916268307 XKLDXJKDPIBUPF-UHFFFAOYSA-N 248.688 3.925 30 20 BHED CC(C)(C)ON=Cc1ccc2ccccc2c1O 1117742860 XJKDHGCGQPXEQW-UHFFFAOYSA-N 243.306 3.694 30 20 BHED C[C@H](NCC(C)(C)CC#N)[C@@H]1CC2CCC1CC2 1206224670 UKJOZSBXASJEDC-PPWQZUPISA-N 248.414 3.731 30 20 BHED C=C(C)CCC(=O)N(CCCC)c1ccncc1 1262803263 ATTQXMIVSJRVPI-UHFFFAOYSA-N 246.354 3.571 30 20 BHED CC(C)=CCN(Cc1ccc(C#N)cc1)C(C)C 63750863 ZMYIVUIYFJAGOK-UHFFFAOYSA-N 242.366 3.735 30 20 BHED C=CCCC(=O)CSc1ccccc1C 85111511 TUXWPVGYGGETSK-UHFFFAOYSA-N 220.337 3.622 30 20 BHED CCCCCCC[C@H](N)c1ccc(C)o1 105728519 BKOWXLVIHUVGEJ-LBPRGKRZSA-N 209.333 3.948 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccccc1Cl 116907856 SZWBEYKPGXMGLW-WDEREUQCSA-N 223.747 3.955 30 20 BHED CCN(Cc1ccc(F)c(C#N)c1)[C@@H](C)C(C)C 121033879 KGJCIKVRBKSGET-LBPRGKRZSA-N 248.345 3.564 30 20 BHED CC[C@H](C#N)Nc1ccc2c3c(cccc13)CC2 122193845 LKRQQCVUSRGURB-CYBMUJFWSA-N 236.318 3.652 30 20 BHED C=CC[C@@H](C)NCc1ccc(C(C)C)cc1 124260697 KTZUUWAAZOWPIP-CYBMUJFWSA-N 217.356 3.864 30 20 BHED C=CCCN(C)Cc1cccc(C(F)(F)F)c1 132564061 SGAOJSVIMFZZBQ-UHFFFAOYSA-N 243.272 3.713 30 20 BHED CNc1ccc(Oc2ccccc2C#N)c(F)c1 158252012 YGGDCUIZHRQXFX-UHFFFAOYSA-N 242.253 3.531 30 20 BHED C=C(Cl)CN[C@H](C)c1ccc(SC)cc1 161740516 SSIWVNZYIPUUGR-SNVBAGLBSA-N 241.787 3.812 30 20 BHED C[C@H](NC[C@H](C)C(C)(C)C)c1cccc(C#N)c1 162670712 AXRHDVQFOLWYPG-STQMWFEESA-N 244.382 3.891 30 20 BHED N#C[C@H](Sc1cccc(O)c1)C1CCCCC1 185692453 PDHHNNJXSNXUCK-AWEZNQCLSA-N 247.363 3.957 30 20 BHED C[C@H](S[C@@H]1CCO[C@H]1C)c1cccc(C#N)c1 189865948 VGPAYDZZZBBUCS-COPLHBTASA-N 247.363 3.530 30 20 BHED C=CCCCCCSc1nnc(C2CC2)[nH]1 195436735 KBWRYYQYKHQZPO-UHFFFAOYSA-N 237.372 3.521 30 20 BHED C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)CCC1 248810368 SJWXRDCVMJNXKI-HZSPNIEDSA-N 249.398 3.674 30 20 BHED CCc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1 274574401 BHUGOTIGLGWJCK-NOLJZWGESA-N 242.366 3.592 30 20 BHED C=C(C)CNc1cccc(CC(F)(F)F)c1 309627207 QKFLSYIOPXLXON-UHFFFAOYSA-N 229.245 3.779 30 20 BHED CC[C@H](NCC(C)(C)C#N)c1cccc(C)c1 383579522 LNXAUEICGDPTKZ-AWEZNQCLSA-N 230.355 3.586 30 20 BHED C=CCCc1noc(-c2cc(C(C)C)oc2C)n1 453238499 QKVRFWNXWQIWRE-UHFFFAOYSA-N 246.310 3.880 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc(Cl)cc1 467348009 CYNGCNGOOCECFY-CYBMUJFWSA-N 237.730 3.881 30 20 BHED C=CCCN(C)c1nc2cccc(C)c2s1 480315177 QCJSVYHKKPNXQC-UHFFFAOYSA-N 232.352 3.617 30 20 BHED C=CCCC(=O)Nc1ccc(C)c(OC(C)C)c1 488426809 ANXPHHQJVFHGMR-UHFFFAOYSA-N 247.338 3.687 30 20 BHED C=CCOc1cccc(CN2CCC[C@H]2CC)c1 511476137 WJRLCEBFPWLEDD-OAHLLOKOSA-N 245.366 3.626 30 20 BHED C=CCCSCCCc1ccccc1 523499808 IZFMNYXTGKNEKK-UHFFFAOYSA-N 206.354 3.929 30 20 BHED C=CCCCc1nc(-c2ccc(F)c(C)c2)no1 546940885 JWJRPPMLGNVFTI-UHFFFAOYSA-N 246.285 3.693 30 20 BHED N#CCCC1CCN(CC2=CCCCC2)CC1 582299103 TVBYCIFJXXUIEQ-UHFFFAOYSA-N 232.371 3.503 30 20 BHED C=C(CC)CN[C@H](CC(C)C)c1ccccn1 582807231 ZFAKNJBGVDLPHG-OAHLLOKOSA-N 232.371 3.725 30 20 BHED CC#CCCON=C(C)c1cc2ccccc2o1 588467813 AXXYULPGSIMHRW-UHFFFAOYSA-N 241.290 3.587 30 20 BHED C=C(CNC[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 674718138 YQHLJHQHFXRUNW-BHYGNILZSA-N 239.362 3.502 30 20 BHED CC1(C)CN(c2ccc(C#N)c(Cl)c2)C1(C)C 690291989 AXOIQONXHIFJSA-UHFFFAOYSA-N 248.757 3.836 30 20 BHED C=CCN(CC1CCCCC1)C(=O)/C=C/CCC 732662896 NEBDIFXTVGRMDK-KPKJPENVSA-N 249.398 3.938 30 20 BHED CCCCCCCN1CCC[C@H](COCC)C1 740877747 DVSWQSFZWOWKPY-HNNXBMFYSA-N 241.419 3.705 30 20 BHED C=C(CC)COC(=O)CCCSC(C)(C)C 773542227 UDEALCAVPMSKEH-UHFFFAOYSA-N 244.400 3.808 30 20 BHED O=C(/C=C/c1ccsc1)c1ccnc(Cl)c1 779459590 CTABWTJSHIFJGP-OWOJBTEDSA-N 249.722 3.693 30 20 BHED CCCCNN=C1CC[C@@](C)(c2ccccc2)C1 780212117 VUESIFDDQODBNL-MRXNPFEDSA-N 244.382 3.874 30 20 BHED CC1(C)CCC(=NN[C@@H]2CCCC2(C)C)C1 782285557 BHCWCNFHAOUSSY-GFCCVEGCSA-N 222.376 3.721 30 20 BHED C#C[C@H](CCC)NC(=O)C(C)(C)C1CCCCC1 791743259 NIGPHUXASDPETF-CQSZACIVSA-N 249.398 3.511 30 20 BHED CC[C@H](C)CON=C(C)CCc1ccc(O)cc1 793164745 XUHNOMTZPSOYNX-LBPRGKRZSA-N 249.354 3.763 30 20 BHED C=CCCCCCCNC(=O)C[C@@H](C)CC 805219275 CYHPNZCQGHZKEU-ZDUSSCGKSA-N 225.376 3.675 30 20 BHED CC(=NNc1ccc(C)cc1)c1csc(C)n1 812372142 BBAZUOUNNWJIHY-UHFFFAOYSA-N 245.351 3.596 30 20 BHED C=CCCCOC(=O)c1ccc(C(C)C)nc1C 815349817 WGZMFNGVZAKDME-UHFFFAOYSA-N 247.338 3.636 30 20 BHED C#CCCCCCC=NNc1ccc(OC)cc1 834967200 YKVQRSVNEKPIDG-UHFFFAOYSA-N 244.338 3.677 30 20 BHED C=C(C)CON=C1CCC[C@H](C(F)(F)F)C1 844617923 DDNTXRJBRMDWGP-VIFPVBQESA-N 235.249 3.688 30 20 BHED C#CCCOC(=O)Oc1ccc([C@H](C)CC)cc1 858877245 JEPUGZGTVWQWGB-GFCCVEGCSA-N 246.306 3.739 30 20 BHED C#CCCCCCCNC[C@@H]1CCC(F)(F)C1 877495012 RLKZANAEBLWSJM-CYBMUJFWSA-N 243.341 3.595 30 20 BHED CC(=NNc1ccc(C)cc1)c1cccs1 916250335 VGWDDOUAVABASP-UHFFFAOYSA-N 230.336 3.893 30 20 BHED C=C(C)CCC(=O)N1CCCC2(CCCCC2)C1 1120605649 SZJQGJORDVAGTK-UHFFFAOYSA-N 249.398 3.916 30 20 BHED C=C(C)CCC(=O)N1CCCC12CCCCC2 1335877206 ZSQHZJCCSPZFIQ-UHFFFAOYSA-N 235.371 3.668 30 20 BHED CC[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)[C@H]1C 1459983279 LDCYVHZZYAKWFK-KCQAQPDRSA-N 242.366 3.740 30 20 BHED C[C@@H](CCC#N)CN1CC[C@@H](C2CCCCC2)C1 1462415868 XGYWWMLLSLEEQJ-GOEBONIOSA-N 248.414 3.828 30 20 BHED Cc1ccc(OCc2cccc(C#N)c2)cc1C 19804883 LXTJOKRHIIKFCC-UHFFFAOYSA-N 237.302 3.754 30 20 BHED N#Cc1ccc(Oc2ccc(F)cc2Cl)nc1 37855685 GNFCTELQVAMNOZ-UHFFFAOYSA-N 248.644 3.538 30 20 BHED CCc1nc(Nc2ccc(C#N)cc2)sc1C 49185808 TXSUPQMHQNMXTL-UHFFFAOYSA-N 243.335 3.629 30 20 BHED N#Cc1cccc(Sc2ccc(Cl)cc2)n1 81622057 VYKRVLAGUDXIJQ-UHFFFAOYSA-N 246.722 3.758 30 20 BHED Cc1nsc(N[C@@H](C)c2cccs2)c1C#N 86254593 HXKXMSDBYSEJKC-QMMMGPOBSA-N 249.364 3.558 30 20 BHED C=CC1CCN(C(=O)CCCCCCC)CC1 110362878 XGIKTFFZRJPRNO-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C[C@@H]1CCCN(c2ccc(Cl)cc2C#N)CC1 110513646 WQWCIHVBIRPSNP-LLVKDONJSA-N 248.757 3.838 30 20 BHED CCC[C@H](Cc1ccccc1)N[C@H](CC)CC#N 133194435 WPURANGRAWKFLG-HZPDHXFCSA-N 244.382 3.680 30 20 BHED C=CC[C@@H](C)N[C@@H](c1ccccc1)C(F)(F)F 162726782 FEBHIXBVEJNLJI-PWSUYJOCSA-N 243.272 3.844 30 20 BHED C=CC[C@@H](C)N[C@@H](CC(C)C)c1ccccn1 180951695 RBUBNUGOKIPIGP-HIFRSBDPSA-N 232.371 3.723 30 20 BHED C=C(C)CSCc1nc2ccccc2nc1C 192678901 WPHHFKHOUWBVJM-UHFFFAOYSA-N 244.363 3.748 30 20 BHED C[C@H](NC[C@H]1CC[C@@H](C)C1)c1cccc(C#N)c1 230401929 IFLUJAIMVLJJJP-IPYPFGDCSA-N 242.366 3.645 30 20 BHED CCCCCSc1nc(C)ccc1C#N 233098342 MLKMNZYYZALVIP-UHFFFAOYSA-N 220.341 3.544 30 20 BHED C[C@@H]1CC[C@H](Nc2cccc(C#N)c2)C[C@H]1C 251986810 ZBNRQQOUZNVXFA-JMSVASOKSA-N 228.339 3.795 30 20 BHED CC1(C)CCC/C(=C\c2cccc(O)c2)C1=O 255163817 WVICREXYANJEQS-FMIVXFBMSA-N 230.307 3.555 30 20 BHED N#Cc1ccc(N[C@@H](c2ccccc2)C2CC2)cn1 267367892 JFELTQHKFCNVGF-INIZCTEOSA-N 249.317 3.516 30 20 BHED CCC(CC)c1noc(-c2cccc(C#N)c2)n1 273842927 KVVWCHGXLFLBHJ-UHFFFAOYSA-N 241.294 3.512 30 20 BHED C=C(Cl)CSc1ccc(F)cc1F 306241520 RKIKWVBKVZNVRD-UHFFFAOYSA-N 220.671 3.809 30 20 BHED CCCCCCCS[C@H](C)COC 308498698 VLKTXYPUNJGJNB-LLVKDONJSA-N 204.379 3.725 30 20 BHED C=CCC[C@@H](C)NCC(=C)c1ccccc1 309574500 OMJIWEPGQBTSMV-CQSZACIVSA-N 215.340 3.644 30 20 BHED C=CCC[C@H](CC)N[C@H](C)c1ccncc1F 338025488 XJJRONUBXFKBJZ-NEPJUHHUSA-N 236.334 3.616 30 20 BHED C[C@H](SCCC#N)c1ccc(F)cc1F 413017115 XVIPTCIOHPFYEL-QMMMGPOBSA-N 227.279 3.673 30 20 BHED C=CCSCC1CCC(F)(F)CC1 419413561 RXGWNDGWRSKKEQ-UHFFFAOYSA-N 206.301 3.731 30 20 BHED C[C@H](CCN[C@@H]1CC[C@H](C#N)C1)CC(C)(C)C 442864391 CWNZPECIOBPXEV-HZSPNIEDSA-N 236.403 3.731 30 20 BHED CC[C@@H]1CCC[C@@H]1CNCc1cc(C#N)cs1 449433130 KWMHZGMZKHPWBT-CHWSQXEVSA-N 248.395 3.536 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)Cc1ccccc1C 466389444 QWCSLJRPCSWZTN-GOEBONIOSA-N 231.383 3.870 30 20 BHED C=CCN(CCC(=C)C)Cc1ccc(OC)cc1 509311161 TUQXDCXKSFZYNK-UHFFFAOYSA-N 245.366 3.649 30 20 BHED C=CCN(Cc1cccc(OC(C)C)c1)C1CC1 536742733 XUMMZPLCPRLNNX-UHFFFAOYSA-N 245.366 3.624 30 20 BHED CC[C@H](C)[C@H](C)N(CCC(C)(C)C#N)C1CC1 537365113 CXNWQGZJTDPXNM-STQMWFEESA-N 236.403 3.825 30 20 BHED C=CCCOc1cccc(-c2nccs2)c1 582917707 NAPZDILEEIXDNR-UHFFFAOYSA-N 231.320 3.765 30 20 BHED C[C@H](CCC#N)CN[C@H]1CCCc2ccccc21 602502283 GHVGEJWQGUHCIO-CJNGLKHVSA-N 242.366 3.593 30 20 BHED C=CCCN(C)[C@H](C)c1cccc(Cl)c1 606895957 KHNLGUUBOFJTOO-LLVKDONJSA-N 223.747 3.909 30 20 BHED C=CCC1(NC(=O)C2CC3(CC3)C2)CCCCC1 615961744 SNFGTYVLKBHREJ-UHFFFAOYSA-N 247.382 3.572 30 20 BHED C=CCN1CCC[C@@H]1[C@@H](CC)c1ccccc1 621826382 VJSYUCJEHIEUNA-JKSUJKDBSA-N 229.367 3.831 30 20 BHED C=CCCC(C)(C)NCc1ncc(CC)s1 657805968 ZJAKMRQSIMEJSV-UHFFFAOYSA-N 238.400 3.540 30 20 BHED C=CCC1(NCc2cc(F)ccc2O)CCCC1 690735468 CYKCXLGWENCFDJ-UHFFFAOYSA-N 249.329 3.510 30 20 BHED C[C@@H](CC(C)(C)C#N)NCCCc1ccccc1 695781054 WUXDWCOGSZDMTR-AWEZNQCLSA-N 244.382 3.537 30 20 BHED CCCCCC[C@@H](C)NN=Cc1ccco1 743450050 FLQJRFMNXXHAAP-GFCCVEGCSA-N 222.332 3.562 30 20 BHED C#CCC(C)(C)C(=O)O[C@H](CC)c1ccccc1 767121291 CWGFHSOYHFPHGK-CQSZACIVSA-N 244.334 3.730 30 20 BHED C[C@H](C#N)OC(=O)C=C1CCC(C(C)(C)C)CC1 767596221 CALONQLXMYFJCD-JTDNENJMSA-N 249.354 3.604 30 20 BHED CC1CC(Nc2ccc(OC(C)C)c(C#N)c2)C1 768518508 HESSDUOHZIMSOB-UHFFFAOYSA-N 244.338 3.556 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CCCCC1(C)C 779933078 CSRDVXBNTXVYSI-CQSZACIVSA-N 249.398 3.655 30 20 BHED CCc1ccc(/C=C/C(=O)c2cncs2)s1 787170953 DSRGTVSWPSPEIF-AATRIKPKSA-N 249.360 3.663 30 20 BHED C=CCCCCC[C@H](C)NCCc1ccco1 793515757 JKDDCPWYNSARFE-AWEZNQCLSA-N 235.371 3.937 30 20 BHED C[C@H]1CCC[C@H](OC(=O)CCCCCC#N)C1 805864065 FOPSYTRKIKFQCW-STQMWFEESA-N 237.343 3.582 30 20 BHED CC(=NOC1CCCCC1)c1ccccc1C#N 814908781 AYZSUPLDAUOYCH-UHFFFAOYSA-N 242.322 3.632 30 20 BHED CC[C@H](C)CC=NNc1ncnc2sccc12 834933014 ADFNCHMIWLUANG-VIFPVBQESA-N 248.355 3.525 30 20 BHED COc1ccc(NN=C2CCCC23CCC3)cc1 834966487 PHZFMMOMSHTRPJ-UHFFFAOYSA-N 244.338 3.817 30 20 BHED CC1=C(C)C[C@@H](C(=O)OCC(C)(C)CC#N)CC1 842757969 DMZPHDMGDCTCBR-ZDUSSCGKSA-N 249.354 3.606 30 20 BHED C=C(C)CON=C[C@@H](C)CCc1ccccc1 844618725 GBBMWVKQWYOPQC-AWEZNQCLSA-N 231.339 3.834 30 20 BHED C=CCC[C@H](CCC)N[C@@H](C)Cc1cccnc1 897971209 WUSMHXWQNDONGP-HOCLYGCPSA-N 246.398 3.737 30 20 BHED CCO[C@H](C)Sc1ccc(C#N)cc1Cl 901508932 OFFAWBCOQQBKIN-QMMMGPOBSA-N 241.743 3.686 30 20 BHED CC#CCCSCc1coc(C(C)(C)C)n1 901816523 WLMDPVVAIFLLMZ-UHFFFAOYSA-N 237.368 3.619 30 20 BHED N#Cc1ccc(NN=C/C=C\c2ccccc2)cc1 915961671 DBPCSWSFPMWMAS-NULHITJFSA-N 247.301 3.669 30 20 BHED C=C(C)CCC(=O)N1CC[C@@H](C2CCCCC2)C1 1335982670 UJRZTZZPLLNFDC-OAHLLOKOSA-N 249.398 3.772 30 20 BHED C=C(C)CCC(=O)N1CCCC[C@H]1[C@H](C)CC 1337140935 DTDXKOWSVKWNLB-KGLIPLIRSA-N 237.387 3.770 30 20 BHED C[C@H]1CCCC[C@H]1COc1cccc(C#N)c1 1656180357 XMAUWHMDPXRZSL-JSGCOSHPSA-N 229.323 3.763 30 20 BHED CC(C)[C@H](C)Sc1snc(Cl)c1C#N 92658860 HPPXAOYSOKBTFU-LURJTMIESA-N 246.788 3.805 30 20 BHED C[C@@H]1CC[C@@H](NCC(C)(C)C#N)c2ccccc21 122324482 QTRMNVJYQBQZHT-IUODEOHRSA-N 242.366 3.764 30 20 BHED C#C[C@H](C)N[C@@H](Cc1ccccc1)c1ccccc1 123008180 QYBAQOGFBPATAX-YJBOKZPZSA-N 249.357 3.582 30 20 BHED C=CCCCC[C@@H](C)NCc1ccoc1 131929638 QRPUJYRCRQKUNY-GFCCVEGCSA-N 207.317 3.504 30 20 BHED C[C@@H](S)c1ccc(Br)cc1F 132151708 WXZSMNZBHRMDIZ-RXMQYKEDSA-N 235.121 3.579 30 20 BHED CC[C@H](C)CN(Cc1ccc(C#N)cc1)C1CC1 176931628 BYVQJZSYFKQMMW-ZDUSSCGKSA-N 242.366 3.569 30 20 BHED C[C@@H](ON=C1CCC1)c1ncc(C(C)(C)C)o1 268082452 PRLRXCZKYBUZLZ-SECBINFHSA-N 236.315 3.590 30 20 BHED C=CCN(CC=C)[C@@H](C)c1ncc(C(C)(C)C)o1 297705620 BAXXKKVAPVWMRB-LBPRGKRZSA-N 248.370 3.707 30 20 BHED CCCC[C@@H](Nc1ncccc1C#N)C1CCC1 301605873 MQYPLNBDWBZKJB-CQSZACIVSA-N 243.354 3.724 30 20 BHED CCCCCCNc1cc(C(C)=O)ccc1C#N 302085088 DQFPHNWSJAFNSP-UHFFFAOYSA-N 244.338 3.753 30 20 BHED C=CC[C@@H](CC)NCc1ncc(C(C)C)s1 336732920 JROXMFCLMIAIIL-LLVKDONJSA-N 238.400 3.711 30 20 BHED C=CCCCOc1cnc2ccc(F)cc2c1 337938872 TZZZWXYFCZXQBP-UHFFFAOYSA-N 231.270 3.719 30 20 BHED C=CCCSc1nc(C)nc2ccccc12 340585916 FKDPJNXHDFXVOG-UHFFFAOYSA-N 230.336 3.606 30 20 BHED C=CCCC[C@H](C)N[C@@H]1CS[C@@H](C(C)C)C1 381224811 JNVIJJSIBFGPNH-MELADBBJSA-N 241.444 3.851 30 20 BHED CC[C@@H]1CCCN1CCC1(C#N)CCCCC1 411212712 AZEOFEXXTFFPQU-CQSZACIVSA-N 234.387 3.725 30 20 BHED CCOCCSCCC1(C#N)CCCCC1 412997108 HUIJCROOFHHPME-UHFFFAOYSA-N 241.400 3.620 30 20 BHED CC1(C)CC[C@H](CSc2ccccc2C#N)O1 413003815 YEJJZTDJDQMVPF-GFCCVEGCSA-N 247.363 3.608 30 20 BHED CC1(C)CC[C@@H](CSc2ccccc2C#N)O1 413003816 YEJJZTDJDQMVPF-LBPRGKRZSA-N 247.363 3.608 30 20 BHED C=CCCCSCC1CC(F)(F)C1 419406815 JIHRAPYEDIRUGL-UHFFFAOYSA-N 206.301 3.731 30 20 BHED CC1(C#N)CCC(NC[C@H]2CCCC2(C)C)CC1 449343410 KEVJYMZXUJBJTE-VQCLRJIVSA-N 248.414 3.875 30 20 BHED C=C(CC)CNC(=O)C[C@H](C)c1ccccc1C 456813733 RKGDMXUBVPCMPZ-AWEZNQCLSA-N 245.366 3.571 30 20 BHED CC(C)CCC[C@H](C)NCC(C)(C)CC#N 459737141 VUOHDPPAIONRQK-ZDUSSCGKSA-N 224.392 3.731 30 20 BHED C=C[C@H]1CCCCN1C(=O)Nc1cccc(C)c1 485590061 KNKGYFKAECIAEW-AWEZNQCLSA-N 244.338 3.567 30 20 BHED C=C(C)CN(C)[C@@H]1CCCc2ccccc21 514710975 ZGKFEEVIITVLLL-OAHLLOKOSA-N 215.340 3.572 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)C1CCOCC1 553103943 DXAIEUAULGJYPA-UONOGXRCSA-N 239.403 3.526 30 20 BHED CSc1cccc(NCC2(CC#N)CC2)c1C 594703666 SPQHCOOZSCOLSB-UHFFFAOYSA-N 246.379 3.823 30 20 BHED CCCOc1ccccc1NC[C@H](C)CCC#N 602487697 NTPFOTWXUCORKL-CYBMUJFWSA-N 246.354 3.827 30 20 BHED C[C@@H](CCC#N)CN(C)c1ccc2cc[nH]c2c1 602649726 PUQZKTGGIRKOFU-LBPRGKRZSA-N 241.338 3.544 30 20 BHED C=CCCCN1CCCSc2ccccc21 605149695 TWQBOVRBUIVMCI-UHFFFAOYSA-N 233.380 3.955 30 20 BHED CC(C)[C@@H]1c2ccccc2CCN1CCCC#N 610788015 GYGWWLUIENPQHZ-MRXNPFEDSA-N 242.366 3.546 30 20 BHED C=CCC(C)(C)C(=O)Nc1cscc1Cl 636438402 XKOVSYOVYZOOMQ-UHFFFAOYSA-N 243.759 3.942 30 20 BHED CCCCCC[C@@H]1CCCC1=NNCC(F)F 740617953 ZSNRUXRXGHCJIF-LLVKDONJSA-N 246.345 3.968 30 20 BHED Cc1ccnc(NN=C2CCC[C@H]2C(C)C)c1 747763487 GSBZTMOZLVCGJV-LBPRGKRZSA-N 231.343 3.614 30 20 BHED CC1(C)CCCC1=NNc1ccccc1 749853673 SLJRMFUTFBKAOI-UHFFFAOYSA-N 202.301 3.665 30 20 BHED Cc1ccc(/C=C/C(=O)c2ccco2)cc1C 762304322 ILQCXBNJECWVAJ-BQYQJAHWSA-N 226.275 3.793 30 20 BHED C#CCCCSc1ccnc2ccccc12 766290563 WQUAOKSUWJNEPA-UHFFFAOYSA-N 227.332 3.740 30 20 BHED C#CCCCN[C@@H](CC1CCC1)c1ccccc1 776163938 XANQGWQDGJPMST-KRWDZBQOSA-N 241.378 3.921 30 20 BHED C=CCCCCCOC(=O)Cc1ccsc1 782030695 HNDZTPWHJBFKDJ-UHFFFAOYSA-N 238.352 3.580 30 20 BHED CC1(C)CCC(=NNc2ccccc2[N+](=O)[O-])C1 783771893 HUCJASANDRHHHO-UHFFFAOYSA-N 247.298 3.573 30 20 BHED CC1(C)CCC1=NN[C@@H]1CCCCC1(C)C 789055588 YNMHHQXRRRQVDT-LLVKDONJSA-N 222.376 3.721 30 20 BHED CCC(C[C@@H](C)CC)=NNC[C@H]1CCSC1 811661806 TYRCBOFBTDOHPU-NWDGAFQWSA-N 242.432 3.531 30 20 BHED CC(C)CON=C1CC[C@@H](c2ccccc2)C1 814884133 PBGCSKHPQNNCKJ-CQSZACIVSA-N 231.339 3.983 30 20 BHED C=CCCCCNC(=N)Nc1ccc(CC)cc1 849019768 MTEFJSZINGQAET-UHFFFAOYSA-N 245.370 3.542 30 20 BHED Clc1ccc(CON=CC2CC2)c(Cl)c1 853736013 ISOWLQSTQVKTKB-UHFFFAOYSA-N 244.121 3.906 30 20 BHED C=CC(C)(C)CN[C@@H](c1ccccn1)C(C)C 866367327 HUEVCQJTFIWGNZ-CQSZACIVSA-N 232.371 3.581 30 20 BHED C=CC(C)(C)CC(=O)N(C)Cc1ccccc1C 877957815 DFIRYEUERJKCAF-UHFFFAOYSA-N 245.366 3.556 30 20 BHED CCON=Cc1ccc(-c2ccccc2F)s1 912808974 AYSQIRJEECRJDR-UHFFFAOYSA-N 249.310 3.925 30 20 BHED Cc1ccc(C/N=C/c2ccccc2O)c(C)c1 915980774 COIUDBCZQQWOBS-GZTJUZNOSA-N 239.318 3.628 30 20 BHED CCCCCCC[C@H](C)CNC(=O)C1CC1 917873190 WCXJDJJOIWRJDA-LBPRGKRZSA-N 225.376 3.509 30 20 BHED CC(C)[C@@H]1CCCN([C@H](C#N)c2ccccc2)C1 1642751072 NIWHEQOZKQANJE-HZPDHXFCSA-N 242.366 3.619 30 20 BHED CCC[C@H](Nc1ncccc1C#N)C(C)(C)C 1651864758 YZTOWDIRIJMFES-LBPRGKRZSA-N 231.343 3.580 30 20 BHED CC[C@H](C)[C@H]1CCCCN1C[C@H](C)CCC#N 1651903428 WFENSHIOOHIYCC-QLFBSQMISA-N 236.403 3.827 30 20 BHED Cc1cccc(C)c1CN(C)CCC(C)(C)C#N 1660373595 SJVNEZRJRCFPKT-UHFFFAOYSA-N 244.382 3.675 30 20 BHED O=C1/C(=C\c2ccsc2)Cc2ccccc21 6476170 TVLJTLQCDJYBBE-GHXNOFRVSA-N 226.300 3.571 30 20 BHED Cc1ccc(CNc2ccc(C#N)cc2)s1 20091247 IUZSTIPXNQZUHS-UHFFFAOYSA-N 228.320 3.540 30 20 BHED Cc1ccc(CN(C)c2ccc(C#N)cc2)cc1 20555957 LGSUIKHBDXUGFX-UHFFFAOYSA-N 236.318 3.503 30 20 BHED CCCCCCCCN[C@@H](C)[C@H]1CCCO1 59090773 NWCWSXLFQBLFGD-UONOGXRCSA-N 227.392 3.504 30 20 BHED C#CCCN[C@@H](Cc1ccccc1)c1ccccc1 70197459 XQTGKJCLVVUUSO-SFHVURJKSA-N 249.357 3.583 30 20 BHED CCC[C@H](CC)Nc1cccc(F)c1C#N 82261488 RALKHXHIKUTHSB-JTQLQIEISA-N 220.291 3.688 30 20 BHED CC1(C)CCCN(c2cccc(F)c2C#N)CC1 90795405 ASRPGOJVNKSRGW-UHFFFAOYSA-N 246.329 3.714 30 20 BHED C[C@@H](CNc1cccc(F)c1C#N)C(C)(C)C 96609760 SZCWEARIJZDYMJ-JTQLQIEISA-N 234.318 3.791 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cc(F)ccc1F 116907714 TXTVMQYYOHSWAB-ZJUUUORDSA-N 225.282 3.580 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccccc1C 132207755 OYOCKUCISGYFQW-OLZOCXBDSA-N 203.329 3.610 30 20 BHED CC[C@H](CC#N)N[C@H](C)CCc1ccc(C)cc1 136960318 UKOPBXCMVFHZOR-GDBMZVCRSA-N 244.382 3.598 30 20 BHED C=CCCSCC(=O)Nc1cccc(C)c1C 151980516 FMQJOFFYODOKHV-UHFFFAOYSA-N 249.379 3.551 30 20 BHED C=CCSCc1nc2ccccc2s1 172190025 FARANFRQICMDIE-UHFFFAOYSA-N 221.350 3.716 30 20 BHED C#CCCSc1nc2cc(Cl)ccc2o1 178161115 YLWOCTAAOSXSMR-UHFFFAOYSA-N 237.711 3.597 30 20 BHED N#Cc1ccc(/C=C/c2ccc(Cl)s2)nc1 193447751 COTOZHBOVGFYAN-ONEGZZNKSA-N 246.722 3.839 30 20 BHED CC(C)(C#N)CCCCN[C@H]1CCCC1(C)C 232513590 TVJUMPNFCOGDKN-ZDUSSCGKSA-N 236.403 3.875 30 20 BHED CCC[C@H](CC)Nc1nc(Cl)c(C#N)s1 233349677 WFAJTRGFHQTFGQ-ZETCQYMHSA-N 243.763 3.659 30 20 BHED Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1 248831179 MMYBJWGHQBTFLG-SQWLQELKSA-N 242.366 3.728 30 20 BHED O=C(/C=C\c1cccs1)c1ccc(Cl)nc1 255061207 JDZKYJTXNRNQDO-PLNGDYQASA-N 249.722 3.693 30 20 BHED O=C1/C(=C\c2ccsc2)Cc2cc(F)ccc21 255386856 MMQLZFSIJRYFCN-WZUFQYTHSA-N 244.290 3.710 30 20 BHED C[C@@H](CNc1ccc(CC#N)cc1)C(C)(C)C 306068482 YYLTUNHSNVNUIQ-LBPRGKRZSA-N 230.355 3.847 30 20 BHED C=CC[C@H](CC)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 309142827 HQBKHEXXVQTLQV-ZOBORPQBSA-N 209.377 3.755 30 20 BHED C=CC[C@H](CC)N[C@H]1CCC[C@H](C2CC2)C1 309702961 NHQYNLATCFYRLV-KKUMJFAQSA-N 221.388 3.900 30 20 BHED C=CCCCCCCN[C@@H]1CCOC(C)(C)C1 310183687 XXJXLDUIQMMVCX-CQSZACIVSA-N 239.403 3.670 30 20 BHED C=C[C@@H]1CCCCN1C(=O)c1occc1C(C)C 341669787 UGCSNXVYBUIVGM-GFCCVEGCSA-N 247.338 3.584 30 20 BHED C=CCC[C@@H](CC)NC[C@H](C)C(F)(F)F 393623480 OAQXECVAGRMGOO-VHSXEESVSA-N 223.282 3.519 30 20 BHED N#CCCSCc1cccc(C(F)(F)F)c1 413017249 YLDFKCPFSXECJN-UHFFFAOYSA-N 245.269 3.852 30 20 BHED N#C[C@H]1CC[C@H](Nc2cccc3ccccc23)C1 442839037 MEQRFHUPNDOIFI-JSGCOSHPSA-N 236.318 3.944 30 20 BHED N#C[C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3CCC[C@@H]3C2)C1 447561368 IAYBBEBQOPNTCH-DGXTUMSLSA-N 246.398 3.627 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@]1(C)CC=CCC1 450652624 UVOYBUFJDMDZRH-DZGCQCFKSA-N 235.371 3.594 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc2ccccc2n1 453323646 RZWCVBLJEXWYKF-ZDUSSCGKSA-N 240.350 3.852 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@]1(CC)C(C)C 457244472 UMZUZFKOIVQKPQ-IUODEOHRSA-N 237.387 3.530 30 20 BHED C=CCCCC(=O)N[C@@H]1CCC[C@@H]1CCCC 479664569 WUZILKLJSPBBFL-UONOGXRCSA-N 237.387 3.818 30 20 BHED Cc1ccc(-c2ccc(C)c(N[C@H](C)C#N)c2)o1 479825777 BKIVSCPPJXFOBZ-LLVKDONJSA-N 240.306 3.887 30 20 BHED C=C[C@H]1CCCCN1C(=O)C[C@H](C)C(C)(C)C 488879405 LWXPNEMZUPNYGU-STQMWFEESA-N 237.387 3.626 30 20 BHED C=CCCCCCN1CC[C@H]2CCC[C@H]21 489025992 JQQPWZXVDPVDBW-ZIAGYGMSSA-N 207.361 3.607 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1ccncc1CC 539214600 QXIBLGKRIDGSEW-MJBXVCDLSA-N 246.398 3.895 30 20 BHED CCN(C/C=C/c1ccc(Cl)cc1)[C@H](C)C#N 595821345 UERPPMZUHSYOPH-ZYOFXKKJSA-N 248.757 3.587 30 20 BHED CC[C@@H](C)CS[C@H](C#N)Cc1ccccc1 610684822 IWJMYCFKAAKJHD-OCCSQVGLSA-N 233.380 3.901 30 20 BHED C=CCCC[C@H](C)NC(=O)c1c(C)oc(C)c1C 678881632 QVMAHUTWPLXMGB-JTQLQIEISA-N 249.354 3.679 30 20 BHED C=CC[C@H](C)C(C)=NNc1ccccc1[N+](=O)[O-] 727779700 QESOJBQOUJTZGU-JTQLQIEISA-N 247.298 3.595 30 20 BHED CCCCCCCCCNC(=O)NC1CCC1 730583920 QUIUASIYGUAMBH-UHFFFAOYSA-N 240.391 3.589 30 20 BHED Cc1ccsc1C(=O)/C=C/c1c(C)noc1C 733749421 WHLVEHIYNAUUPN-SNAWJCMRSA-N 247.319 3.557 30 20 BHED C[C@@H]1CCCC1=NNc1c(F)cccc1F 735614733 ABZOUJXOIGFFCV-MRVPVSSYSA-N 224.254 3.553 30 20 BHED CCCCCCCCC(=O)N1CC(C(C)C)C1 753750513 WOPLQWGXUZIDRL-UHFFFAOYSA-N 239.403 3.851 30 20 BHED C#CCCCN[C@H](c1ccccc1C)C(C)C 774443244 OPRRKVMGYDFFSB-INIZCTEOSA-N 229.367 3.695 30 20 BHED Cc1ccc(C)c(/C=C/C(=O)c2cncs2)c1 776434087 ONVRYZZWJMLJEW-AATRIKPKSA-N 243.331 3.656 30 20 BHED C#CCCCCCC(=O)N[C@H](C)CCC(C)C 779715813 OUTURIMESFOQDP-CQSZACIVSA-N 237.387 3.511 30 20 BHED C=CCCCCOC(=O)[C@@H](C)c1ccsc1 811009649 ZULPQBGISFEUMI-NSHDSACASA-N 238.352 3.751 30 20 BHED CC1(C)CCC[C@H](C=NOC/C=C/Cl)C1 811667853 FMEJDAZKAWWPOM-AGZHMYLKSA-N 229.751 3.958 30 20 BHED CCC(=NNc1ccc(C)cc1)c1ccco1 814685693 MNALPUSOXJOAPQ-UHFFFAOYSA-N 228.295 3.814 30 20 BHED C=CCCC(CCC)=NN[C@@H]1C[C@H]2CC[C@H]1C2 814893197 HHCPAIDYJFGHCB-KCQAQPDRSA-N 234.387 3.887 30 20 BHED CC[C@H](C)NN=C(C)[C@H]1CCCC[C@H]1C 834973319 NVUAQNHNIUWYJB-MDZLAQPJSA-N 210.365 3.577 30 20 BHED C=CC(C)(C)COC(=O)[C@H]1CCCC(F)(F)C1 835720956 FLNPWGWXQMGCHS-JTQLQIEISA-N 246.297 3.567 30 20 BHED C[C@H]1CCCCCC1=NOCC(F)(F)F 844587092 XVVHISNAWAHIOF-QMMMGPOBSA-N 223.238 3.522 30 20 BHED CCC(CC)CC(=O)O[C@@H](C)CC(C)(C)C#N 851209930 QRWYMTQUBJQPJG-NSHDSACASA-N 239.359 3.684 30 20 BHED CCC(=NNc1ccnc(Cl)c1)[C@H]1C[C@@H]1C 853396529 BKFLXDPOGKCOPY-WPRPVWTQSA-N 237.734 3.569 30 20 BHED c1ccc([C@H]2CCCC2=NOCC2CCC2)nc1 853440420 CJRPRGGJRVMLNX-CYBMUJFWSA-N 244.338 3.522 30 20 BHED CCC(=NNc1ccccc1)c1ccc(O)cc1 916617368 KPOKRINJMCDDMX-UHFFFAOYSA-N 240.306 3.618 30 20 BHED CCCNN=Cc1cc(-c2ccccc2)cs1 917547805 CKHWEWIHEAHEHB-UHFFFAOYSA-N 244.363 3.749 30 20 BHED Fc1cccc(NN=C/C=C\c2ccccc2)c1 920383186 BMKZWMOXCJXSRN-HPQKFPEESA-N 240.281 3.937 30 20 BHED CC(C)(C)ON=Cc1csc(C(C)(C)C)n1 1116408916 PDTHWCHQBIGHQL-UHFFFAOYSA-N 240.372 3.590 30 20 BHED C=CCC1(C(=O)N2C[C@H]3CCCC[C@H]32)CCCC1 1165283272 PKBXJUANXHHGSP-ZIAGYGMSSA-N 247.382 3.524 30 20 BHED CC(C)[C@H](C#N)C=NNc1ccc(Cl)cc1 1319612681 LKCGQLMYPDQEJB-SNVBAGLBSA-N 235.718 3.533 30 20 BHED C=C(Cl)CSCc1ccc(C(C)=O)cc1 1325363358 UATUMGBWZHPCFH-UHFFFAOYSA-N 240.755 3.875 30 20 BHED C=C(C)CCC(=O)Nc1ccc(COCC)cc1 1348732846 VJOJGWGNFOSOQC-UHFFFAOYSA-N 247.338 3.518 30 20 BHED N#CCCCN1CCC[C@@H]1c1cccc(Cl)c1 52077810 KMGOFUGVEIXECH-CQSZACIVSA-N 248.757 3.781 30 20 BHED CC[C@@H](CC#N)N[C@@H](C)c1c(C)cc(C)cc1C 54182992 URSFVERZCRJBGU-GJZGRUSLSA-N 244.382 3.955 30 20 BHED N#Cc1cncc(-c2ccc(C(F)(F)F)cc2)c1 91366230 KESDMBYQAUXDPB-UHFFFAOYSA-N 248.207 3.639 30 20 BHED Cc1cc(CN(CCC#N)CC(C)(C)C)c(C)o1 93101220 JWRIGNDYTCLTFC-UHFFFAOYSA-N 248.370 3.658 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@H]2CCC[C@H]21 150919472 GQDPXSOESBWNJM-UKRRQHHQSA-N 247.382 3.546 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc2c(c1)CCC2 163313779 DQLZSNNZUNEGAU-CHWSQXEVSA-N 229.367 3.791 30 20 BHED CC(C)c1cccc(N/C(N)=N/CC(C)(C)C)c1 170910990 VJCBPWKLMIUEEM-UHFFFAOYSA-N 247.386 3.583 30 20 BHED CCC[C@@H](CNCCCCC#N)c1ccccc1 182195318 SYPRHWUMWYSUIT-INIZCTEOSA-N 244.382 3.854 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1cc(C)ccc1F 182652355 SNHFZIFEVSHYSW-GFCCVEGCSA-N 249.329 3.609 30 20 BHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 274547660 VSBRGSYOUDXVEW-COPLHBTASA-N 248.757 3.683 30 20 BHED N#Cc1cccc(Cl)c1N1CCCCCC1 301207618 RHJJIKOYAFATSG-UHFFFAOYSA-N 234.730 3.592 30 20 BHED CCN(CC1CCC(C)(C)CC1)C[C@H](C)C#N 310266298 RNHOMIADICSUFQ-CYBMUJFWSA-N 236.403 3.684 30 20 BHED Cc1nc(N[C@H](C)CC2CC2)c(Cl)cc1C#N 336697213 IXXFLILWLCEIEI-MRVPVSSYSA-N 249.745 3.516 30 20 BHED CC1=CCC[C@H](C)[C@H]1CNCC(C)(C)CCC#N 342305541 VVMWYWOCBUUDPQ-GJZGRUSLSA-N 248.414 3.898 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)CC1 356806915 MLKGEACOWSEJJG-BFHYXJOUSA-N 249.398 3.674 30 20 BHED C=CCC[C@@H](NC[C@H]1CC12CC2)c1ccco1 417331103 BFEBGSBNNFCCOA-CHWSQXEVSA-N 231.339 3.677 30 20 BHED C=CC[C@@H](C)N[C@@H](Cc1ccccc1)C(C)C 427686233 QCHVVOPJDMAELB-ZBFHGGJFSA-N 231.383 3.808 30 20 BHED C=CCC1(CN[C@@H](C)CCCOC)CCCC1 453384243 TWCQYHXMCWQFER-AWEZNQCLSA-N 239.403 3.528 30 20 BHED C=CCCC1(C(=O)Nc2cc(F)ccc2C)CC1 474098494 WCBNSQSBQPRUPZ-UHFFFAOYSA-N 247.313 3.819 30 20 BHED C=C(C)C[C@@H](C)C(=O)N1CCCC2(CCCC2)C1 474616497 ZTPHINFENJIWBY-CQSZACIVSA-N 249.398 3.772 30 20 BHED C=CC[C@@H](CC)N[C@@H]1CCc2ccc(F)cc21 500804412 GPKYHCJQWJMKEK-UKRRQHHQSA-N 233.330 3.757 30 20 BHED C=C(C)CN1CCC[C@H]1/C=C/c1ccccc1 505833659 QKGKFXXRVUBUHZ-OFAQMXQXSA-N 227.351 3.740 30 20 BHED C=C(C)CN(Cc1ccc(F)cc1)C(C)C 506833827 JBQSBKWKNLAWLK-UHFFFAOYSA-N 221.319 3.612 30 20 BHED C=C(C)CCN(CC)Cc1cccc(F)c1 509277554 CLMHKYQSRZVLQI-UHFFFAOYSA-N 221.319 3.614 30 20 BHED CC(C)(C#N)CCN1CCc2c(Cl)cccc21 537365445 RPQHDXGYZYBZCE-UHFFFAOYSA-N 248.757 3.642 30 20 BHED C=CCCN1C[C@H](c2ccc(C)cc2)C[C@H]1C 549037304 LJFSXZPEMMBXMP-GDBMZVCRSA-N 229.367 3.749 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1ccc(C=C)cc1 551263741 RMJCIRUVDKKUBY-CYBMUJFWSA-N 243.350 3.804 30 20 BHED N#CCN[C@H](c1ccc(F)cc1)C1CCCCC1 602966751 QGJHENGELKVNQI-HNNXBMFYSA-N 246.329 3.560 30 20 BHED Cc1ccnc(CSc2cccc(C#N)c2)c1 616215379 HGVXAVNWOVBLBY-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C[C@H](CCC#N)CN1C[C@H](C)c2ccccc21 618888294 VNSCKWDEUFKEML-OLZOCXBDSA-N 228.339 3.550 30 20 BHED CC(C)C(=NN[C@@H](C)c1ccccc1)C1CC1 750935821 GYHGYCBNXFNSJT-LBPRGKRZSA-N 230.355 3.759 30 20 BHED CCC[C@H](C)C(CC)=NOCC(F)(F)F 764846511 JNWWDJCCNASEGY-QMMMGPOBSA-N 225.254 3.768 30 20 BHED CC(C)[C@H]1CCCC1=NN[C@@H]1C[C@H]2CC[C@H]1C2 774593846 SISBKQWVOVOIBI-RMRHIDDWSA-N 234.387 3.577 30 20 BHED Cc1ccc2cc(C=NOCC(C)C)ccc2n1 783522621 VUFIXKHKERRNDO-UHFFFAOYSA-N 242.322 3.550 30 20 BHED CCCC(=NN[C@@H](C)C(C)(C)C)c1ccccn1 814937944 SKEUEABFUGJXKR-LBPRGKRZSA-N 247.386 3.610 30 20 BHED C=C[C@H](OC(=O)[C@H]1CC12CCC2)c1ccccc1 851451085 CAPAAWNOALTRTI-KGLIPLIRSA-N 242.318 3.647 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H](c1ccccn1)C1CC1 903340039 OVMUEGUJQVJUSQ-HEHGZKQESA-N 244.382 3.723 30 20 BHED Cc1cc(C)c([C@H](C)N2CC(C)(C#N)C2)c(C)c1 1307732501 QGLIJXYNNOGOFL-AWEZNQCLSA-N 242.366 3.518 30 20 BHED C=C(Cl)CSc1nc2cnccc2s1 1652097675 TWTGTQVSZGTOTJ-UHFFFAOYSA-N 242.756 3.536 30 20 BHED N#Cc1ccc(/N=C(\Cl)CC(F)(F)F)cc1 1857775955 PTLHVHKRFQNCAP-SXGWCWSVSA-N 246.619 3.779 30 20 BHED N#Cc1cccc(NCc2cccc(Cl)c2)c1 19922338 ATZKXGGUPANTIO-UHFFFAOYSA-N 242.709 3.824 30 20 BHED CN(CC1CCCCC1)c1ccc(C#N)cc1F 42495262 CBPLVSDRMKKSDV-UHFFFAOYSA-N 246.329 3.714 30 20 BHED CC(C)CCSCc1ccccc1C#N 58239307 KDSADGWKMDNKKS-UHFFFAOYSA-N 219.353 3.838 30 20 BHED C[C@@H](C#N)SCc1cccc2ccccc12 58486057 JEFLLPBPDLWPDA-NSHDSACASA-N 227.332 3.985 30 20 BHED C#Cc1cccc(N[C@@H]2CCC(C)(C)C2)c1 87769151 QZKNANGBVLOUKO-CQSZACIVSA-N 213.324 3.659 30 20 BHED CCCCCCCC(=O)Nc1ccccc1O 97972965 ZHOLCLVRASLTKE-UHFFFAOYSA-N 235.327 3.691 30 20 BHED CCCC(CCC)[S@](=O)CCC(C)(C)C#N 123436748 DUMIKGDXQROFTC-INIZCTEOSA-N 243.416 3.644 30 20 BHED C=CC[C@@H](C)[C@@H](C)N[C@@H](C)c1cccc(O)c1 126598685 KMQBAUXWVTXJRR-UPJWGTAASA-N 233.355 3.644 30 20 BHED N#Cc1ccc(NCCCCC(F)(F)F)cc1 128113667 UOVVUWACXRIRRY-UHFFFAOYSA-N 242.244 3.703 30 20 BHED CCCCCCCCCN[C@H](C)[C@H]1CCOC1 128615745 DJSNTWMAEASOPR-CABCVRRESA-N 241.419 3.752 30 20 BHED CCCc1ccccc1NC(=O)[C@@](C)(C#N)CC 136214774 OGQLMPRHRNQFDS-OAHLLOKOSA-N 244.338 3.517 30 20 BHED C=CCCSCc1nc(C)c(C)s1 176406810 JYLPLYSHSNYRIP-UHFFFAOYSA-N 213.371 3.569 30 20 BHED CC#CCCCC(=O)N1CCC[C@@](C)(CCC)C1 185729675 FOGOIMDDWHGOEA-MRXNPFEDSA-N 249.398 3.609 30 20 BHED CC(C)CN(Cc1cccc(C#N)c1F)C(C)C 223522060 JVWCQNWWJKWRLV-UHFFFAOYSA-N 248.345 3.564 30 20 BHED CC(C)(C#N)CCCN1CCC[C@H]2CCC[C@H]21 228012440 QELAWQNTRCQUDH-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED C[C@H](S)c1ccc(F)cc1Br 235566117 NZCZLIUYQVSOCZ-YFKPBYRVSA-N 235.121 3.579 30 20 BHED Cc1cccc(C(=O)/C=C\c2ccccc2C#N)c1 255290013 QPDOPBCGAOLMDE-KTKRTIGZSA-N 247.297 3.763 30 20 BHED C=CCCC(=O)N(C1CC1)[C@H](C)c1ccccc1 263684996 PRZGSSKHODPNPG-CYBMUJFWSA-N 243.350 3.705 30 20 BHED C=C(Cl)CN[C@@H](c1ccc(F)cc1)C(C)C 309410074 XUCKQFODCDIXBI-CYBMUJFWSA-N 241.737 3.865 30 20 BHED C=CCC(C)(C)CNCc1ccc(F)c(F)c1 310534849 AMIFOKFRMNFLLG-UHFFFAOYSA-N 239.309 3.657 30 20 BHED Cc1nnccc1N=C(O)[C@@H]1CCCC(C)(C)C1 329425099 ISRHJWGMOBHPNN-LLVKDONJSA-N 247.342 3.589 30 20 BHED C=CCCN1CCC[C@@H]1c1cccc(F)c1 338547121 RAZLVTCMBMMEPR-CQSZACIVSA-N 219.303 3.539 30 20 BHED CC(C)(C)[C@H]1CCC[C@H](NCCCC#N)CC1 344332720 ZHZWWBXQCOBHNS-KBPBESRZSA-N 236.403 3.875 30 20 BHED C=CCOc1ccccc1CN[C@H](C)C1(C)CC1 361333303 AZPPOAFFXKQAHB-CYBMUJFWSA-N 245.366 3.530 30 20 BHED C=C(Cl)CSCc1cccc(C)c1 379376160 SBXUENOLOGDRCB-UHFFFAOYSA-N 212.745 3.981 30 20 BHED C[C@@H]1C[C@@H](NCC(C)(C)CC#N)c2ccccc21 414165995 MTTMRSVRQFUGJV-IUODEOHRSA-N 242.366 3.764 30 20 BHED CSCc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1 442865296 HSWPLBJNXONARI-OCCSQVGLSA-N 246.379 3.654 30 20 BHED C=CCC1(C(=O)NCC(C)(C)C2CCC2)CCC1 452785465 NUQBBCOHMDVIIP-UHFFFAOYSA-N 249.398 3.675 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H]1CCCC[C@@H]1CC 466532459 SUZLWLIPLLYCSZ-MELADBBJSA-N 237.387 3.674 30 20 BHED C=CCCN(C)Cc1ccc(-c2ccccc2)o1 467366716 AVBMTXSGZSHBJI-UHFFFAOYSA-N 241.334 3.955 30 20 BHED C=C(C)CCN[C@@H](CC(C)C)c1ccccn1 508974828 CLCCZWYJPKHWHZ-HNNXBMFYSA-N 232.371 3.725 30 20 BHED C=CCN(CCCCF)CC1CCCCC1 509659631 VLSHUKBLLWBAHC-UHFFFAOYSA-N 227.367 3.804 30 20 BHED C=CCSCc1cc(C)nc2ccccc12 524699303 OFSORZUFADNBLO-UHFFFAOYSA-N 229.348 3.962 30 20 BHED CCC(C)(C)[C@@H](C)NCC(C)(C)CCC#N 562572079 UAJZOGMZUUXJBI-GFCCVEGCSA-N 224.392 3.731 30 20 BHED O=C(/C=C\c1cc(Cl)cs1)c1cccnc1 588601193 BOTUGZRHPWKWGA-ARJAWSKDSA-N 249.722 3.693 30 20 BHED C=CCCN(C)[C@@H](C)CCc1ccccc1 606897162 XPZRMZSMWROXPX-AWEZNQCLSA-N 217.356 3.516 30 20 BHED C=CCC1(C(=O)N2[C@H]3CC[C@H]2CC(C)C3)CCC1 620429402 NFNONNYMUHSDQQ-KBPBESRZSA-N 247.382 3.522 30 20 BHED C=C(C)CCN1CC[C@@H]1c1ccc(F)cc1 661510496 BRIVQBITEMJYBO-CQSZACIVSA-N 219.303 3.539 30 20 BHED C[C@H]1CC(C)(C)C[C@H]1Nc1cc(F)cc(C#N)c1 718564040 JAEXWEXHSWFQIY-IINYFYTJSA-N 246.329 3.934 30 20 BHED CCON=Cc1c(C)[nH]c2ccc(Cl)cc12 752722941 FSPOGUPPZOXOHR-UHFFFAOYSA-N 236.702 3.500 30 20 BHED N#C[C@@H]1CC[C@@H](NCC2CCCCCCC2)C1 769942021 GQVLDOANWRJKNG-HUUCEWRRSA-N 234.387 3.629 30 20 BHED CCOc1ccccc1C(C)=NOC1CCCC1 774604417 XCFHRZMEKKTFJX-UHFFFAOYSA-N 247.338 3.769 30 20 BHED CC(=NOC1CCCCC1)c1cccc(C#N)c1 777458647 IUPYJIHTPZIUOY-UHFFFAOYSA-N 242.322 3.632 30 20 BHED CC(CC1CCC1)=NNc1cc(Cl)ccn1 777906456 XCQJIKCSLAHOEU-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C=C(C)CN(C)C(=S)Nc1cc(C)cc(C)c1 777917754 CSYYAAUYHVKGBK-UHFFFAOYSA-N 248.395 3.508 30 20 BHED CC#CCCNC(=O)[C@](C)(CC)CCCCC 781005283 ZHSBTYDMZKRFTC-OAHLLOKOSA-N 237.387 3.513 30 20 BHED CC(C)(C)CC(=NO[C@@H]1CCCCO1)C1CC1 787163001 NXMKLQZCGQCDIQ-CYBMUJFWSA-N 239.359 3.732 30 20 BHED CC[C@@H]1CC[C@H](C)CC1=NOCc1cccnc1 797402000 SUHGWMIBDDUIKG-GXTWGEPZSA-N 246.354 3.800 30 20 BHED CC(C)(C)SCCSCC1(C#N)CCC1 829504680 AGKOSNJYRSEYRM-UHFFFAOYSA-N 243.441 3.945 30 20 BHED CC(C)(CCC#N)COC(=O)/C=C/C1CCCC1 842785629 OXESDLWCDULNIC-CMDGGOBGSA-N 249.354 3.606 30 20 BHED CC(=NOC1CCCCC1)c1nc(C)cs1 863108411 LIARAKHNQJSJFG-UHFFFAOYSA-N 238.356 3.525 30 20 BHED CCCCNN=Cc1ccc2ccccc2c1 915970132 YZAHGRJKYDTOFT-UHFFFAOYSA-N 226.323 3.563 30 20 BHED C[C@H](CC(C)(C)C#N)N[C@H]1CCCc2occc21 924645561 ZSULIQHKMSLDFH-YPMHNXCESA-N 246.354 3.575 30 20 BHED N#CCCCSCc1cccc2ncccc12 1119001494 QSEUSWZSHUGWAQ-UHFFFAOYSA-N 242.347 3.772 30 20 BHED CCN(CCCC1CCCCC1)[C@H](C)C#N 1307957736 JQEOBPVSINMVQQ-CYBMUJFWSA-N 222.376 3.581 30 20 BHED C=CCN1CCc2cc(C(C)(C)C)ccc2C1 1322052355 NCQHDBXCHOCCRZ-UHFFFAOYSA-N 229.367 3.528 30 20 BHED COc1ccc2c(c1)CCCC2=NOC(C)(C)C 1336226348 APYFYDKWBMILHS-UHFFFAOYSA-N 247.338 3.551 30 20 BHED CCC/N=C(\S)Nc1cc(Cl)ccc1C 1535302 YOXYULLTHVLPOE-UHFFFAOYSA-N 242.775 3.756 30 20 BHED Cc1ccc([C@H](C)NCC(C)(C)C#N)c(C)c1 122276616 NLKILOVHQWAYDW-ZDUSSCGKSA-N 230.355 3.504 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc(C)s1 161664559 WGDGEZXKHAWUDN-KOLCDFICSA-N 209.358 3.672 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cnc2ccsc2c1 163320110 CSILYBOEEJUWOC-MNOVXSKESA-N 246.379 3.912 30 20 BHED CC(C)(C)OCCSCc1ccccc1C#N 170991866 ZFVVGYVIWQHKHC-UHFFFAOYSA-N 249.379 3.607 30 20 BHED C#CCCCNC(=O)C[C@H](C)CCCCCC 172946825 LMWMALJLLJKHAG-CQSZACIVSA-N 237.387 3.513 30 20 BHED C=CCCCC(=O)N(C)[C@H](C)c1ccc(C)cc1 175242004 GGTBYKJWSHXUAQ-CQSZACIVSA-N 245.366 3.871 30 20 BHED C=CCCCC(=O)Oc1ccc(OCC=C)cc1 177905984 VGBUAQWIRGZINS-UHFFFAOYSA-N 246.306 3.513 30 20 BHED C=CCCC[C@H](C)NC(=O)Nc1ccsc1 179679045 ADBLDPPLEFWCQL-JTQLQIEISA-N 238.356 3.614 30 20 BHED CCCCCCCN[C@H](COC)c1ccco1 184517279 WJAUJKWPGKSQIK-CYBMUJFWSA-N 239.359 3.527 30 20 BHED CCSc1cccc(CNCCCCC#N)c1 185515669 CWZCXSJRJSGZAE-UHFFFAOYSA-N 248.395 3.582 30 20 BHED Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1C 185723008 NWKBWUHUHZCPQJ-KBPBESRZSA-N 228.339 3.798 30 20 BHED C=C(Cl)CN(CC)[C@H](C)Cc1ccsc1 187779962 STQMWXPQQMQWAB-LLVKDONJSA-N 243.803 3.754 30 20 BHED C[C@@H]1[C@@H](Nc2cccc(C#N)c2)CCC[C@H]1C 252179187 PRFLKBDIDORONR-XUJVJEKNSA-N 228.339 3.795 30 20 BHED C=C1CCN([C@@H](C)c2nc3ccccc3o2)CC1 272464382 DTUUKLDOSGRNLG-LBPRGKRZSA-N 242.322 3.541 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1csc(C)c1 294095301 BLMUSMZXXQBNIC-MWLCHTKSSA-N 209.358 3.672 30 20 BHED C=C[C@@H](C)Nc1cc(C)nc2c(F)c(F)ccc12 302719241 KQLJMNTXTWFWQI-MRVPVSSYSA-N 248.276 3.808 30 20 BHED C=CCN(CCCCC)Cc1ccc(OC)cc1 303664533 DZPRSZJZTNASBD-UHFFFAOYSA-N 247.382 3.873 30 20 BHED C=C(Br)CSc1ccccc1C 306197804 SHYFHJMWPJRDDH-UHFFFAOYSA-N 243.169 3.996 30 20 BHED C=CCCC[C@H](C)Nc1ccc(Cl)cn1 308825243 ADMJPVJSLVWEIU-JTQLQIEISA-N 224.735 3.892 30 20 BHED CCCC[C@H](CCC)N[C@H]1CC[C@@H](C#N)C1 309994761 BULARWMSKQIAHS-RDBSUJKOSA-N 222.376 3.627 30 20 BHED C[C@H]1CCC[C@@H](C(O)=Nc2ncc(C3CC3)[nH]2)C1 329475375 SYLIVKFTZXAJDU-GXSJLCMTSA-N 247.342 3.701 30 20 BHED Cc1cccc(CSc2ccccc2C#N)n1 336456035 OCYQRCGBBGCYMK-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=CCC[C@H](C)NCc1cccc2cc[nH]c12 343485195 GQXHNOWRFFQCSB-LBPRGKRZSA-N 228.339 3.612 30 20 BHED C=CCCC1(C(=O)NC2CCC3(CC2)CC3)CC1 357112859 DQBPVDPMZCQVEK-UHFFFAOYSA-N 247.382 3.572 30 20 BHED C=CCC(C)(C)CNc1ccnc(Cl)c1 380024514 XWONPNIUIRSLOU-UHFFFAOYSA-N 224.735 3.749 30 20 BHED C=CCCCCNCc1ccc(SC)cc1 390477750 JVCOEJIPJUENFS-UHFFFAOYSA-N 235.396 3.854 30 20 BHED CSCCCS[C@H](C#N)C1CCCCC1 413007984 LUWPEAUDDJSSLJ-GFCCVEGCSA-N 243.441 3.945 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H]1CCC[C@@H](CC)C1 468029657 MECNCSYHMSHSCW-VNHYZAJKSA-N 237.387 3.674 30 20 BHED C=CCCCN1CCC[C@@H](Nc2ccccc2)C1 490041722 NBRGJQGEWDVINS-MRXNPFEDSA-N 244.382 3.529 30 20 BHED C=CCOc1cccc(CN(C)[C@H](C)C(C)C)c1 507250465 APAKDKZWJUWFLS-CQSZACIVSA-N 247.382 3.728 30 20 BHED CCC[C@H](C)[C@@H]1CCCN1CCC(C)(C)C#N 537386509 VXPIOGQWSAARFL-KBPBESRZSA-N 236.403 3.827 30 20 BHED C=CCC[C@H](C)NC1CC(c2ccccc2)C1 547395909 SSJLQDQESSZCAB-JEYLPNPQSA-N 229.367 3.877 30 20 BHED CC1(C#N)CCC(N[C@@H]2CC23CCCCC3)CC1 598983093 ALJAQXLPFMSUKJ-SHARSMKWSA-N 246.398 3.771 30 20 BHED N#C[C@H](CCc1ccccc1)SCC1CC1 601082959 WNVDXPADKYEYIQ-AWEZNQCLSA-N 231.364 3.655 30 20 BHED Cc1ccc(F)c(/C=C\C(=O)c2ccc(C)o2)c1 734981722 UVKHSPKHZYGOEE-ALCCZGGFSA-N 244.265 3.932 30 20 BHED CC[C@H]1CCCC1=NNc1cccc([N+](=O)[O-])c1 758359208 ORGCRSNDDYDSHO-JTQLQIEISA-N 247.298 3.573 30 20 BHED CC(CC1CCC1)=NN[C@H](C)c1ccccc1 758374954 LQQUGUQCTDDZDP-CYBMUJFWSA-N 230.355 3.903 30 20 BHED FC(F)(F)CON=C1CCCCCCC1 764836137 QHUZRKMHTBDSEP-UHFFFAOYSA-N 223.238 3.666 30 20 BHED CCCCC(CC)=NNc1nccnc1C(C)C 773087149 XNMJFLWMQGDOJB-UHFFFAOYSA-N 248.374 3.968 30 20 BHED C=C(CC)COC(=O)c1ccc(SC)cc1 773474466 FNTQQZITZRVDQH-UHFFFAOYSA-N 236.336 3.532 30 20 BHED C[C@@H]1C[C@@H]1c1ccc(C=NOC2CCCC2)o1 774596397 DOXKGOANJVSGIE-MFKMUULPSA-N 233.311 3.696 30 20 BHED C[C@@H]1C(=NOCCC(F)(F)F)CCC[C@H]1C 777458281 HKRABKSRJJKFQI-BDAKNGLRSA-N 237.265 3.768 30 20 BHED CC[C@H](C)[C@H](C)C(=O)O[C@@H](C)CC(C)(C)C#N 851207691 GBZLOEFDFLELBQ-SRVKXCTJSA-N 239.359 3.540 30 20 BHED C=CC[C@H]1CCCCC1=NNc1ccc(C)cn1 853300953 KHZWJZOLTVYLBD-ZDUSSCGKSA-N 243.354 3.924 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1cccc(O)c1F 872068407 HGDRTBOCNAONRX-MNOVXSKESA-N 237.318 3.537 30 20 BHED C=CC(C)(C)CC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 878874408 WPLZBCSFOVLUFV-MGPQQGTHSA-N 249.398 3.768 30 20 BHED C[C@H](CC(=O)OCCCCC#N)CC(C)(C)C 919496793 OXVZGUTWINTWEM-GFCCVEGCSA-N 239.359 3.686 30 20 BHED C[C@@H](CC(C)(C)C#N)N[C@H]1CCCc2occc21 924645558 ZSULIQHKMSLDFH-AAEUAGOBSA-N 246.354 3.575 30 20 BHED C=C(C)CN(C)c1cc(C)c2ccccc2n1 1261758635 FHXPLWHYQNTTQI-UHFFFAOYSA-N 226.323 3.556 30 20 BHED CC(C)(C)ON=Cc1ccc(OCC2CC2)cc1 1324492760 GCLAEECZKRAFQB-UHFFFAOYSA-N 247.338 3.624 30 20 BHED Cc1nc(SCC2(CC#N)CC2)sc1C 1328033435 ULPOHPNNLXGCJQ-UHFFFAOYSA-N 238.381 3.546 30 20 BHED CC1(C)CCC[C@H](CN2CCC[C@@](C)(C#N)C2)C1 1461998588 PRHSPLVYCYKQGD-HOCLYGCPSA-N 248.414 3.828 30 20 BHED Cc1ccc(CNc2cc(C#N)ccc2C)s1 50429678 DZGSSRWVPJAHRS-UHFFFAOYSA-N 242.347 3.849 30 20 BHED Cc1cc(C)c2c(c1)N(CCCCC#N)CCC2 66854764 OHEVIIIUVUMUJF-UHFFFAOYSA-N 242.366 3.750 30 20 BHED CCCCCCCCN(CC)C[C@H](C)C#N 88204061 COVKLNJXQUSGJD-CQSZACIVSA-N 224.392 3.828 30 20 BHED CCCCCCCN[C@H](C)c1nccs1 112576367 IHDURDDLMOITLH-LLVKDONJSA-N 226.389 3.764 30 20 BHED C#C[C@@H](C)NCc1ccc(-c2ccccc2)s1 123053642 BRVUSPUFMJSJNZ-GFCCVEGCSA-N 241.359 3.526 30 20 BHED C=C(Cl)COc1ccc(C(C)=O)cc1Cl 127148034 CWGJYJYPVKGMHB-UHFFFAOYSA-N 245.105 3.674 30 20 BHED C=CCNc1ccc(C)c(NC(=O)C(C)(C)C)c1 133373733 JAJDEXFXQYUJFC-UHFFFAOYSA-N 246.354 3.578 30 20 BHED CCCCCCCC(=O)N[C@@H]1CC=CCC1 172480584 FPUMWNVYJAEYNA-CYBMUJFWSA-N 223.360 3.572 30 20 BHED C#CCCCNC(=O)[C@H](CCC)CC1CCCC1 172925563 UKRVZJIUIDASMG-OAHLLOKOSA-N 249.398 3.513 30 20 BHED C=CCN(CCc1ccccc1)CC1CCCC1 195726781 XQPCTDZUTBZWFZ-UHFFFAOYSA-N 243.394 3.907 30 20 BHED CC(C)(C#N)CCCCOc1ccccc1F 232522072 RFDAOVLHLISLGR-UHFFFAOYSA-N 235.302 3.925 30 20 BHED C[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C[C@H]1C 252727394 DJGWPFJDLJVLGV-WDEREUQCSA-N 248.757 3.694 30 20 BHED C=CCCNc1ccccc1NC(C)(C)C 277459104 IRGYVVUJDUNHLD-UHFFFAOYSA-N 218.344 3.885 30 20 BHED Cc1ccc(S[C@@H]2CC[C@H](C#N)C2)cc1 278657986 WTAMVQJORCRVMJ-WCQYABFASA-N 217.337 3.779 30 20 BHED C=C(C)CN1CCC(Cc2ccccc2)CC1 302796307 BIBUAXSMNBZAND-UHFFFAOYSA-N 229.367 3.517 30 20 BHED C=CC[C@@H](CC)NCc1csc(C(C)C)n1 310038601 WGAJGBYICUEJJY-LLVKDONJSA-N 238.400 3.711 30 20 BHED C=CCC(C)(C)CNCc1cc(F)cc(F)c1 310584184 TUYXYIBKZFCMBA-UHFFFAOYSA-N 239.309 3.657 30 20 BHED CC[C@](C)(C#N)c1nc([C@@H]2CCCC[C@H]2C)no1 346419799 TWZANKMOTZDUMB-JTNHKYCSSA-N 247.342 3.555 30 20 BHED CN(CCC#N)[C@H]1CCCC[C@@H]1c1ccccc1 353229995 MRSXMFAUPWCNEB-CVEARBPZSA-N 242.366 3.558 30 20 BHED C=CCC[C@@H](NCc1cscc1C)C1CC1 390477136 LEMMBWAHXIBYQP-CQSZACIVSA-N 235.396 3.891 30 20 BHED CC[C@H](NCC(C)(C)CC#N)C1CCCCC1 414172640 WGYBMBMPYUAPAU-AWEZNQCLSA-N 236.403 3.875 30 20 BHED N#CCCCSCCC1=CCCCC1 419552851 XSMWGOHBNLSYRM-UHFFFAOYSA-N 209.358 3.914 30 20 BHED C=CCCC[C@H](C)NC(=O)c1cccc(F)c1C 421499946 BPHGGPYQLQKUJA-NSHDSACASA-N 249.329 3.609 30 20 BHED C=CCC1(C(=O)NC/C=C\CC)CCCCC1 452602922 NSPVFCNUWDXFID-UITAMQMPSA-N 235.371 3.595 30 20 BHED C=CC(C)(C)CNC(=O)C1(C)CCCCCC1 452775919 PYPRSBOTJUKERL-UHFFFAOYSA-N 237.387 3.675 30 20 BHED CC#CCCCC(=O)Nc1ccc(C(C)C)cc1 464564728 WXDVXTVYILJHQJ-UHFFFAOYSA-N 243.350 3.942 30 20 BHED C=CCC(CC=C)C(=O)N(C)[C@H]1CCC(C)(C)C1 478218222 NZFYHAYGITXDMY-AWEZNQCLSA-N 249.398 3.792 30 20 BHED C=CCC1(C(=O)N[C@@H]2CCC[C@@H](CC)C2)CCC1 479977301 CMIVPIQOMDEPQD-ZIAGYGMSSA-N 249.398 3.818 30 20 BHED C=CC1CCN(Cc2cc(F)ccc2C)CC1 491152206 ZGXFWBNJRLDZCY-UHFFFAOYSA-N 233.330 3.532 30 20 BHED C=CCCCN(C)CCc1ccc(Cl)cc1 492290549 KWGCMFAELWWOFL-UHFFFAOYSA-N 237.774 3.781 30 20 BHED COc1cc(C#N)ccc1CSC1CCCC1 499314767 BKAZLTCUAGNJJQ-UHFFFAOYSA-N 247.363 3.743 30 20 BHED N#C[C@H]1CC[C@H](NCCCC2CCCCC2)C1 516348004 NETMKJAKZPZYLL-GJZGRUSLSA-N 234.387 3.629 30 20 BHED C=CCC[C@H](NCCc1cccc(C)c1)C1CC1 533037822 COTWKUCQARKXNZ-KRWDZBQOSA-N 243.394 3.872 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@@H]1CC[C@H](C)C1 537237909 NHHWGPPXIFEWPX-MELADBBJSA-N 237.387 3.674 30 20 BHED C=CC[C@H](C)[C@H](C)Nc1cnn(CC(C)C)c1C 537474193 BHUVYHONTSDRJO-STQMWFEESA-N 249.402 3.860 30 20 BHED CC[C@H](C)[C@H]1CCCCN1CCC(C)(C)C#N 540665575 RNWPENCXNXNCDG-UONOGXRCSA-N 236.403 3.827 30 20 BHED CCC[C@H]1[C@@H](C)CCCN1CCC(C)(C)C#N 540667885 PCFQNURPHKMNLW-KBPBESRZSA-N 236.403 3.827 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)CC(C)(C)OC 557384814 JALVWMKKCQFSOP-KGLIPLIRSA-N 241.419 3.915 30 20 BHED Cc1cccc(C)c1[C@H](C)N[C@H]1CC[C@@H](C#N)C1 578048911 XVDQKWIVKVBRAV-ZNMIVQPWSA-N 242.366 3.646 30 20 BHED C=CCOCCSC[C@@H](C)c1ccccc1 590128539 OEYAEVYJYZWFBV-CYBMUJFWSA-N 236.380 3.726 30 20 BHED N#C[C@H](CCc1ccccc1)SC1CCC1 601084220 YAOPVSOPHIAUKO-AWEZNQCLSA-N 231.364 3.797 30 20 BHED CCCC[C@H](CC)CNC[C@H](C)CCC#N 602501771 FQECCJLMMFCSNR-KGLIPLIRSA-N 224.392 3.732 30 20 BHED C=CCCCN[C@@H](C)c1ccc(C(F)F)nc1 657995511 IHCKPZRQAIGSEX-JTQLQIEISA-N 240.297 3.636 30 20 BHED CCCCCCCNCc1ccc2nc[nH]c2c1 727464225 MQYRJXFVKMGHFR-UHFFFAOYSA-N 245.370 3.623 30 20 BHED CCCCCCCOC(=O)CCC1CC1 734611475 IKHRXQTVIGVFDT-UHFFFAOYSA-N 212.333 3.690 30 20 BHED C=CCCOC(=O)[C@H](c1ccccc1)[C@@H](C)CC 740176564 SHFTUJPVIMDKNE-ZFWWWQNUSA-N 246.350 3.936 30 20 BHED C=C(C)CCOC(=O)c1oc2ccccc2c1C 744304718 ZIKMBWQHLYWZSP-UHFFFAOYSA-N 244.290 3.864 30 20 BHED CO[C@]1(C)CC(=NNc2ccc(C)cc2)C1(C)C 746557815 MGISATOBEPSYFG-OAHLLOKOSA-N 246.354 3.598 30 20 BHED C(=NNc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 762408302 CNWIOZKPRASSTE-RWMBFGLXSA-N 214.312 3.521 30 20 BHED C#CCCCN1CCCC[C@@H]1c1ccccc1 762636415 YJHVGTGNXRWGOB-MRXNPFEDSA-N 227.351 3.627 30 20 BHED C#CCOc1ccc([C@@H](C)NC(CC)CC)cc1 764486438 CHBZUUCVNJQIFA-CYBMUJFWSA-N 245.366 3.538 30 20 BHED CCON=C(C)c1ccc(Cl)cc1Cl 767463489 MVWDAKZISJWFNV-UHFFFAOYSA-N 232.110 3.754 30 20 BHED C=C[C@](C)(CC)C(=O)OCc1ccccc1C 785752604 CMHXYGVVQTZERM-OAHLLOKOSA-N 232.323 3.641 30 20 BHED C=CCCOC(=O)C1(c2ccccc2C)CCC1 788183933 RXLYLDCSJGIRBG-UHFFFAOYSA-N 244.334 3.536 30 20 BHED CC(C)=CCCC(C)=NNc1ncccc1C 790192913 JUVBHWPBESNUGJ-UHFFFAOYSA-N 231.343 3.924 30 20 BHED C=CCCCCC[C@H](C)N[C@H]1CCO[C@@H](C)C1 793545656 JSFCIDKHPSDEQA-KKUMJFAQSA-N 239.403 3.669 30 20 BHED Cc1ccccc1[C@H](C)SCCO[C@H](C)C#N 802753332 YRBWOASLMBIJGC-OLZOCXBDSA-N 249.379 3.718 30 20 BHED C=CCCCCCCCN[C@H](C)[C@@H]1CCOC1 810243995 WPTBTQBYSAUGFD-HUUCEWRRSA-N 239.403 3.528 30 20 BHED C=CCCCCC[C@H](C)N[C@@H](C)CC(C)(C)O 824703250 YRZZKDUXCKCIOA-KBPBESRZSA-N 241.419 3.651 30 20 BHED Cc1ccc(C=NOCc2ccccc2C)cc1 824720022 KICFJYBXZCQEQJ-UHFFFAOYSA-N 239.318 3.854 30 20 BHED CCCON=C(C)[C@@H]1C[C@H]1c1cccs1 842555964 POEMEFNHCBQFSZ-WDEREUQCSA-N 223.341 3.654 30 20 BHED C=CCCCC(=O)N(CCCC)c1cccnc1 875883487 YSXUSBLSCODIAW-UHFFFAOYSA-N 246.354 3.571 30 20 BHED C=C(Cl)CSCc1ccc(F)c(F)c1 913396230 SLUBYFJNDAYZOX-UHFFFAOYSA-N 234.698 3.951 30 20 BHED CC(CCC(C)C)=NNc1ccc(C(=O)O)cc1 916240966 ZBWHTJRULHSYCM-UHFFFAOYSA-N 248.326 3.609 30 20 BHED CC(C)(C)ON=Cc1cc2cc(F)ccc2o1 1116408377 AYRIQBFPHFWGIV-UHFFFAOYSA-N 235.258 3.721 30 20 BHED Cc1cc(C)c([C@@H](C)N2CC(C)(C#N)C2)c(C)c1 1307732507 QGLIJXYNNOGOFL-CQSZACIVSA-N 242.366 3.518 30 20 BHED C=C[C@H](O)c1cccc(Oc2ccccc2)c1 39349509 KJZKHJGMDINZHI-HNNXBMFYSA-N 226.275 3.698 30 20 BHED C[C@@H](C#N)Sc1c(Cl)cccc1Cl 57807170 OCJZXPSVYOLENK-LURJTMIESA-N 232.135 3.998 30 20 BHED CCc1ccc(C(=O)/C=C/c2ccsc2)o1 83982128 GFBUVBHCUQNWIL-HWKANZROSA-N 232.304 3.800 30 20 BHED C=CC[C@H](C)NCc1cccc(OCCC)c1 116926855 XXUBJZHTEJWHRQ-ZDUSSCGKSA-N 233.355 3.530 30 20 BHED CCN(CCCCC#N)[C@@H]1CCCC[C@@H]1C 120092535 DCTLLRKQFDRMRS-UONOGXRCSA-N 222.376 3.581 30 20 BHED C=CCC[C@H](C)Nc1cccc(OCC)c1 126890118 LSOCOLBWLIVUKI-LBPRGKRZSA-N 219.328 3.852 30 20 BHED C[C@H](S)c1ccc(Br)cc1F 132151555 WXZSMNZBHRMDIZ-YFKPBYRVSA-N 235.121 3.579 30 20 BHED Cc1ncsc1/C=C/C(=O)C1CCCCC1 172816606 PEMPKWZJSYYGFE-BQYQJAHWSA-N 235.352 3.614 30 20 BHED C[C@@H]1CCC[C@@H](C)N(CCCC(C)(C)C#N)C1 174874186 VACZUMXOOQVGAP-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED N#C[C@H]1CCC[C@@H](NC2CCCCCCC2)C1 192591807 QVBGCXCMHOZYTO-DZGCQCFKSA-N 234.387 3.771 30 20 BHED N#C[C@@H]1CCC[C@H](NC2CCCCCCC2)C1 192591853 QVBGCXCMHOZYTO-HIFRSBDPSA-N 234.387 3.771 30 20 BHED CCC[C@H](CC)Nc1ncc(C#N)cc1Cl 309690468 JCYFNKCTMYNSNK-JTQLQIEISA-N 237.734 3.597 30 20 BHED C=CC[C@@H](C)N[C@@H]1CC(C)(C)Cc2occc21 358034476 HBKVNAXPRAFIPR-DGCLKSJQSA-N 233.355 3.847 30 20 BHED C=CCCCCN[C@H](C)c1ccc(F)cc1F 383375926 ZIMJKQGEDDCHAI-LLVKDONJSA-N 239.309 3.972 30 20 BHED C=CC[C@H](CC)NC(=O)[C@H](CCC)C(C)C 410125223 XHIYJJXGZCNGJK-QWHCGFSZSA-N 225.376 3.530 30 20 BHED C=CCCC1(C(=O)NC23CCC(CC2)CC3)CC1 411045266 JEDCJBWFFUHCSY-UHFFFAOYSA-N 247.382 3.572 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc(Cl)cc1OC 421832892 GSGFKZFMLFXZOY-NXEZZACHSA-N 239.746 3.574 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(Cl)c(F)c1 448721064 HSIIVBDDYZMPJT-UHFFFAOYSA-N 241.693 3.630 30 20 BHED C=CCC1(C(=O)N2C[C@@H](C)C[C@@H](C)C2)CCCC1 449045551 HEUWTARDPCENJF-OKILXGFUSA-N 249.398 3.627 30 20 BHED CC(C)(C#N)CCNc1ccc2cnccc2c1 453157859 HOSDPFWKXIZHSE-UHFFFAOYSA-N 239.322 3.587 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)cc1 467348014 CYNGCNGOOCECFY-ZDUSSCGKSA-N 237.730 3.881 30 20 BHED C=CCC(CC=C)C(=O)N[C@H]1CCCC(C)(C)C1 467873351 YAWVPDHEPZOJLT-AWEZNQCLSA-N 249.398 3.840 30 20 BHED C=CC1CCN(Cc2cc(C)ccc2F)CC1 539828200 JJGFIPMPTGUOLZ-UHFFFAOYSA-N 233.330 3.532 30 20 BHED CC1(CNc2cccc(OCCCC#N)c2)CC1 564394722 NTPYYWSZAAPBPB-UHFFFAOYSA-N 244.338 3.581 30 20 BHED C=CCCN1CCC[C@@H]1Cc1ccccc1Cl 564401169 ZWSYLMGYBFPFCC-CQSZACIVSA-N 249.785 3.923 30 20 BHED Cc1cc(C)c(/C=C\CNCCCC#N)c(C)c1 601113379 LXEYOTQAYXTJAU-SREVYHEPSA-N 242.366 3.518 30 20 BHED C[C@@H](CCC#N)CN1CC[C@H]1c1cccc(F)c1 602485014 MBZKOXVJIKXLDX-WFASDCNBSA-N 246.329 3.512 30 20 BHED C=CCCCN1CCC[C@@H]1c1ccc(OC)cc1 605149699 UOXGMGOXPCCBIP-MRXNPFEDSA-N 245.366 3.798 30 20 BHED C=CCCN1CCCC[C@@H]1c1ccccc1OC 606897371 DERYZMAIGKIAGJ-OAHLLOKOSA-N 245.366 3.798 30 20 BHED C=CCN1CCC[C@H]1c1cccc(C)c1C 607735908 KIYNPRRTJWAPCE-HNNXBMFYSA-N 215.340 3.626 30 20 BHED C=CCC1(C(=O)NC[C@H]2CCCC2(C)C)CCC1 647521710 BGYCTHIXKSMDKV-CYBMUJFWSA-N 249.398 3.675 30 20 BHED C=C1CCN(C(=O)[C@H](C)CCCCCC)CC1 742067523 LAOQKIDTWCUYNP-CQSZACIVSA-N 237.387 3.772 30 20 BHED C[C@H]1C[C@H]1C=NNc1cccc(Cl)c1F 758375021 NGCAIAJICIRMOB-YUMQZZPRSA-N 226.682 3.533 30 20 BHED CC(=NNC1CCCCC1)c1ccccc1C 786043286 MLCWNTXSOJKMMF-UHFFFAOYSA-N 230.355 3.641 30 20 BHED CC1(C)CCC[C@H]1NN=C1CCC[C@@H]1CCF 794934862 ANNDAIXEFAPGMG-DGCLKSJQSA-N 240.366 3.670 30 20 BHED C=CCCCCCCCCNC(=O)[C@H]1C[C@H]1C 805277351 APRIYIXCOMXWBC-KGLIPLIRSA-N 237.387 3.675 30 20 BHED Fc1ccc(C=NOC/C=C\Cl)c(Cl)c1 811671349 DCALNPFUUIPMRC-YHHAPTPFSA-N 248.084 3.582 30 20 BHED Cc1cccc2c1[C@H](C)CC2=NOC1CCC1 812235589 YQQXAPYAWVNCAC-LLVKDONJSA-N 229.323 3.775 30 20 BHED Cc1ccc(CC(=NOCC2CC2)C2CC2)cc1 814244064 CPEOSCNMEMXPAQ-UHFFFAOYSA-N 243.350 3.730 30 20 BHED CCCCCC=NNc1cccc(C(=O)O)c1C 844625295 YHNRFGAFNQIGFU-UHFFFAOYSA-N 248.326 3.671 30 20 BHED CCCCCCC[C@H](C)CNC(=N)NC(C)C 849065256 GRRLQILBNTUOJE-ZDUSSCGKSA-N 241.423 3.505 30 20 BHED C=CC[C@H](CC)NC(=O)/C=C(\C)c1cccs1 857209770 OALDQQQCLFWJHO-IIANPFDCSA-N 249.379 3.622 30 20 BHED Cc1ccc([C@@H](C)C=NOCCOC(C)C)cc1 863114252 FPGBSYXKNMLQTE-AWEZNQCLSA-N 249.354 3.526 30 20 BHED Cc1cccc(NN=C2CCC[C@H]2CCCF)n1 863160273 XJWFITCIMVTDQA-LBPRGKRZSA-N 249.333 3.708 30 20 BHED C=CCC[C@@H](C)Nc1ccc2oc(CO)cc2c1 895169346 OUWUEXGNVSOGCV-LLVKDONJSA-N 245.322 3.692 30 20 BHED COC[C@H](S[C@@H](C)CCC#N)c1ccccc1 901662234 IKXLMIYOUBJXGJ-JSGCOSHPSA-N 249.379 3.800 30 20 BHED CC(=NNc1ccccc1)c1ccccc1C 916247142 CZQWOWDTEHXKLB-UHFFFAOYSA-N 224.307 3.831 30 20 BHED C=C(C)CCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 1335711449 AECHIQHPEACUOO-KKUMJFAQSA-N 249.398 3.770 30 20 BHED Cc1ccc(NCc2cc(C#N)ccc2F)cc1 20055963 RZCQTXCLKQPDKY-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=C(C)CNc1cccc2c1CCCC2 49136673 OCWLZYIFLNXYEC-UHFFFAOYSA-N 201.313 3.553 30 20 BHED N#CCCCN1CCC[C@H]1c1ccccc1Cl 52211216 PKTYXTQMLDOTJD-AWEZNQCLSA-N 248.757 3.781 30 20 BHED CCCCCN(CCC#N)CCCCC 52889964 QGDLYOJSSSYLFP-UHFFFAOYSA-N 210.365 3.582 30 20 BHED N#CCCCSCc1ccccc1Cl 58263039 YARLQRAEKDILJM-UHFFFAOYSA-N 225.744 3.877 30 20 BHED CCC(CC)N[C@@H](CCC#N)c1ccccc1 90665857 OIEDEVGLPFVXJX-HNNXBMFYSA-N 230.355 3.810 30 20 BHED C=CCC[C@@H](C)N[C@H](C)c1ccccc1 96033672 PMIZJBZWVQJHJJ-CHWSQXEVSA-N 203.329 3.692 30 20 BHED CCCCCCCCNC(=O)[C@H]1CC=CCC1 118827534 FVDWBBOCRPMBME-AWEZNQCLSA-N 237.387 3.819 30 20 BHED CC(C)(C#N)CCN1CCC[C@@H]1c1ccsc1 119895809 VMWXNNURIUMSKW-CYBMUJFWSA-N 248.395 3.825 30 20 BHED CC(=C/c1ccccc1)/C=C/C(=O)c1cccnc1 131065164 VFNCZTOYJRWOMK-MVFBISMYSA-N 249.313 3.924 30 20 BHED C=C(Cl)CN[C@H](C)c1ccc2c(c1)CCC2 161732787 MCAFTAQXCUSNMN-LLVKDONJSA-N 235.758 3.578 30 20 BHED CC1CCC(C)(NCc2cc(C#N)cs2)CC1 177698739 PVCOZZMSFHRNOR-UHFFFAOYSA-N 248.395 3.678 30 20 BHED C[C@H]1CCCCN([C@@H](C)c2ccc(C#N)cc2)C1 187921877 GGGUCRVMVWFZEZ-KBPBESRZSA-N 242.366 3.741 30 20 BHED C=CCC1(C(=O)N(CC)C[C@H](C)CC)CCC1 188851309 BZWLZSLKRAFXKP-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=CCCCCCn1nccc1-c1cccnc1 195391524 WJXDXQGPHWESTI-UHFFFAOYSA-N 241.338 3.692 30 20 BHED CC(C)C(C)(C)CN[C@@H](C)c1ccc(C#N)cc1 219272494 RLAKQGAKNRWCOV-ZDUSSCGKSA-N 244.382 3.891 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 274840959 OLTWFDYVMWEYRL-LBPRGKRZSA-N 248.326 3.520 30 20 BHED C=C(CC)CSC[C@@H](C)C(F)(F)F 308290493 GUGSXPSANYWJQQ-MRVPVSSYSA-N 212.280 3.884 30 20 BHED CCCCCCCNC1CC(C(F)F)C1 309092333 COKXWPQOQLRNJQ-UHFFFAOYSA-N 219.319 3.590 30 20 BHED C=C(CC)CN[C@@H](C)c1ccc(F)c(F)c1 309738583 CVQBNOHQEATWBT-JTQLQIEISA-N 225.282 3.582 30 20 BHED C#CCCCCN[C@@H]1C[C@@H](C)c2ccccc21 310166311 JWSHEFDKHMCRKZ-CZUORRHYSA-N 227.351 3.628 30 20 BHED C=CCC(C)(C)CNCc1ccc(Cl)o1 310467754 HJVVYJSQWNQKOE-UHFFFAOYSA-N 227.735 3.625 30 20 BHED C=CCC[C@H](CC)N[C@H]1CCC(C)(C)C1 389991499 ONQARPJVZJPSBD-STQMWFEESA-N 209.377 3.900 30 20 BHED C#CC[C@H](N[C@@H](C)CCC)c1ccccc1 390554943 QBFXCJDTKYKHHI-ZFWWWQNUSA-N 215.340 3.529 30 20 BHED C=CCN(CC=C)[C@H](C)c1cccc(F)c1 411162568 HAOUBTDXUKZSNF-GFCCVEGCSA-N 219.303 3.561 30 20 BHED CC(C)O[C@H](CSCCC#N)c1ccccc1 413021658 ZCNLPNDGHZHJPU-CQSZACIVSA-N 249.379 3.800 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc(CC)cc1 429904544 CQQADTSZFIBGRY-UHFFFAOYSA-N 231.339 3.790 30 20 BHED C=C(C)CN(CC)C(=O)[C@@H]1CCC[C@@H]1CCC 448684828 QDYDJYBOEYMLAO-UONOGXRCSA-N 237.387 3.627 30 20 BHED C=CCC1(NCc2cnccc2C)CCCCC1 449571459 GCUNJFRGYFTEGM-UHFFFAOYSA-N 244.382 3.759 30 20 BHED CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)C1CCCC1 449665022 DAUKRFPTVILZGC-CFVMTHIKSA-N 234.387 3.627 30 20 BHED CCN(CC#Cc1ccc(F)cc1)CC(C)(C)C 463357912 BBSTXLSMHDKGKU-UHFFFAOYSA-N 247.357 3.545 30 20 BHED C=CC[C@@H](C)[C@H](C)Nc1cccc2c1CCO2 475486817 LPTVDJPBXWCTAO-NEPJUHHUSA-N 231.339 3.634 30 20 BHED C=CCCC1(C(=O)N[C@H](C)C[C@@H](C)CC)CC1 476101540 APUJXOSOQHCZNT-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=C(C)CCN[C@H]1CCC[C@H]1Cc1ccccc1 510775719 FSIYTKDXGIMZMR-IRXDYDNUSA-N 243.394 3.954 30 20 BHED C=C(C)COc1cccc(NCC2(C)CC2)c1 516269607 XWNULDLGDTUKCI-UHFFFAOYSA-N 231.339 3.854 30 20 BHED C=CCC(C)(C)c1noc([C@@H]2[C@H](C)[C@H]2C2CC2)n1 528201540 CBZFBKQQKVPPAG-ADEWGFFLSA-N 246.354 3.683 30 20 BHED C=C[C@](C)(CC)C(=O)NCC(C)(C)C(C)(C)C 554101280 AAHVIWAFHAZSFS-OAHLLOKOSA-N 239.403 3.777 30 20 BHED C=CCC[C@H](C)Nc1ccc([C@@H]2CCOC2)cc1 581958130 MFFVMIWFSFFYQK-DZGCQCFKSA-N 245.366 3.957 30 20 BHED N#Cc1ccccc1-c1ccc2c(c1)CCC2 589962161 OXILXIZOGFRQBD-UHFFFAOYSA-N 219.287 3.714 30 20 BHED CC[C@@H](C)CCN[C@@H](C)c1ccc(C#N)c(F)c1 595072894 KCSAIXRHFMAHAX-NEPJUHHUSA-N 248.345 3.784 30 20 BHED C[C@@H](CC(C)(C)C)N[C@H](C)CC(C)(C)C#N 695835910 IVLDXPZBSZIDQD-NWDGAFQWSA-N 224.392 3.729 30 20 BHED CC(=NOCc1cccnc1)C1C(C)(C)C1(C)C 746587781 FIQLYKHTGSCMID-UHFFFAOYSA-N 246.354 3.656 30 20 BHED COc1cccc(NN=C(C(C)C)C2CC2)c1 750934202 SOINLEDLXTZRCJ-UHFFFAOYSA-N 232.327 3.529 30 20 BHED Cc1ccc(F)c(NN=C2CCC[C@H]2C)c1 759665604 PNJTUHXBHKYFHE-SNVBAGLBSA-N 220.291 3.722 30 20 BHED CCCCCCCCCC(=O)Nc1cnccn1 766362491 KOPAKFWHZSWRCY-UHFFFAOYSA-N 249.358 3.556 30 20 BHED CCCC(CC)=NNc1cnnc2ccccc12 776186694 RIDCGNGBGXCMLF-UHFFFAOYSA-N 242.326 3.608 30 20 BHED C#Cc1cccc(NCCCc2ccsc2)c1 782891340 OPDYKNFAGQMZDD-UHFFFAOYSA-N 241.359 3.774 30 20 BHED CC1(C)CCC(=NNc2c(F)cccc2F)C1 783846607 TZRYYINXJUOVJQ-UHFFFAOYSA-N 238.281 3.943 30 20 BHED CCCCCCC=NNc1ncccc1C 790190697 KTDKAHNBMBVHQP-UHFFFAOYSA-N 219.332 3.758 30 20 BHED CC[C@@H]1CCCCC1=NN[C@H](C)C(C)(C)C 793114050 JAFYDXUVTKYOAN-VXGBXAGGSA-N 224.392 3.967 30 20 BHED C[C@H](NN=Cc1ccc(Cl)s1)C(C)(C)C 793116935 VRXPETRWAFDMND-QMMMGPOBSA-N 244.791 3.760 30 20 BHED C[C@@H]1CC[C@H](C=NNc2cccc(Cl)n2)C1 793164025 PWDYJNSHXRTOBQ-ZJUUUORDSA-N 237.734 3.569 30 20 BHED CC[C@H]1C[C@H](C)CCC1=NOCCSC 794576928 KUMAGVWPNOLJQI-MNOVXSKESA-N 229.389 3.568 30 20 BHED C#C[C@H](CCC)NC(=O)CCCCC(C)(C)C 804618255 PATRUEQZYUEPGT-CYBMUJFWSA-N 237.387 3.511 30 20 BHED C#C[C@H](NC[C@H](C)c1ccc(F)cc1)C(C)(C)C 809782824 INIJDNPHCDEEBG-WFASDCNBSA-N 247.357 3.567 30 20 BHED CCCCC(=O)OCCC1(C#N)CCCCC1 840008930 XUELGOVDEHDEJU-UHFFFAOYSA-N 237.343 3.584 30 20 BHED CC[C@@H](C)CON=C1CCC(F)(F)CC1 842533205 JQMGZUONFHUJIR-SECBINFHSA-N 219.275 3.614 30 20 BHED CCCON=CCCCCOc1ccccc1 842556137 GYNZXIRJKIFTEE-UHFFFAOYSA-N 235.327 3.648 30 20 BHED CC(C)=CCC[C@H](C)CC(=O)O[C@H](C)CC#N 842717652 ZAMQVTIOYZIYIT-QWHCGFSZSA-N 237.343 3.604 30 20 BHED C=C[C@H](C)ON=C[C@@H](C)c1cc(F)cc(F)c1 844619568 AWXWABVCJVTGEP-ZJUUUORDSA-N 239.265 3.645 30 20 BHED C=C[C@@H](C)ON=C1CCC[C@@H](C(F)(F)F)C1 844624185 GHORSAKXGVPTQH-RKDXNWHRSA-N 235.249 3.686 30 20 BHED C[C@@H]1CCCC(=NNc2ccc([N+](=O)[O-])cc2)C1 916245238 ZBZNERGYHXZYGD-SNVBAGLBSA-N 247.298 3.573 30 20 BHED Cc1ccc(C=NNc2ccccc2)s1 916245954 OWOICIFERXKYME-UHFFFAOYSA-N 216.309 3.503 30 20 BHED Cc1ccc(NN=Cc2c[nH]c3ccccc23)cc1 916250375 XSRXOWNBVUMUSY-UHFFFAOYSA-N 249.317 3.922 30 20 BHED Cc1cc(CNc2cc(F)cc(C#N)c2)c(C)o1 1474236159 PWWDVVUOJVQPSO-UHFFFAOYSA-N 244.269 3.519 30 20 BHED N#C[C@H](S[C@H]1CCOc2ccccc21)C1CC1 1559385683 SBRMSPHGPPHQRI-KBPBESRZSA-N 245.347 3.546 30 20 BHED CCc1cccc(N(C)C[C@@H](C)CCC#N)c1 1621378493 MXSFSGUBWOQEGF-ZDUSSCGKSA-N 230.355 3.625 30 20 BHED CCOc1ccc(NCCCC(C)(C)C#N)cc1 87596960 ZMVPTPSOXBFWSP-UHFFFAOYSA-N 246.354 3.827 30 20 BHED CC(C)[C@H](C)N[C@H](CCC#N)c1ccccc1 90665874 WCFFNCAQQMUDHE-DZGCQCFKSA-N 230.355 3.666 30 20 BHED Cc1c(F)cccc1NCC(C)(C)CCC#N 92144865 HUGGDFPRQBLYHI-UHFFFAOYSA-N 234.318 3.876 30 20 BHED Cc1ccc(NCc2cc(C#N)cs2)cc1C 93492448 SLVFUXCPWVEBLQ-UHFFFAOYSA-N 242.347 3.849 30 20 BHED C=CCC[C@H](C)N[C@H]1CCCCC1(C)C 126863551 QNDCCRWQQAGTEG-STQMWFEESA-N 209.377 3.900 30 20 BHED C=C(Cl)CNC[C@@H](C)CCc1ccccc1 133674163 XORLZECDQYNUNO-LBPRGKRZSA-N 237.774 3.597 30 20 BHED CCCCCCCOC(=O)c1ccc(C#N)cc1 138757339 QNDZVAFNIKAYET-UHFFFAOYSA-N 245.322 3.685 30 20 BHED CCN(Cc1ccc(C#N)cc1C)C1CCCC1 165441429 OEJBLBGFMMBXBX-UHFFFAOYSA-N 242.366 3.631 30 20 BHED Cc1ccsc1C(=O)/C=C/c1scnc1C 172818738 GPORBXZAYDVZKJ-ONEGZZNKSA-N 249.360 3.718 30 20 BHED N#CCCCCN(CC1CC1)c1ccccc1 177177198 JGBZJAPRGYQXKI-UHFFFAOYSA-N 228.339 3.597 30 20 BHED Cc1ccc2c(c1)[C@H](NCCCCC#N)CCC2 178957188 LBMYQFVNVJDDBG-MRXNPFEDSA-N 242.366 3.656 30 20 BHED CC[C@@H](NCCCC#N)C(C)(C)c1ccccc1 180005261 MYYNFLIHMYTRSO-OAHLLOKOSA-N 244.382 3.636 30 20 BHED C=C(C)CN(C)C(=O)[C@H](CCC)c1ccccc1 180407096 ISNZQDJHYQNWAM-OAHLLOKOSA-N 245.366 3.605 30 20 BHED C=CCCC(=O)Nc1c(C)cccc1SC 184595758 YAIYIZSOJCSLHA-UHFFFAOYSA-N 235.352 3.622 30 20 BHED C=CCCN[C@H]1CCC[C@@H]1Cc1ccccc1 191889737 KMDDAFDXGHHMSC-CVEARBPZSA-N 229.367 3.564 30 20 BHED C#CCCCCN[C@H](C)c1ccc2c(c1)CCC2 222286972 VELFSDIZWCHPPP-CQSZACIVSA-N 241.378 3.629 30 20 BHED CC(=NNc1ccccc1)c1ccc(C)cc1O 254444067 MCDVSGSOWZYEAM-UHFFFAOYSA-N 240.306 3.537 30 20 BHED C[C@H](CCC#N)N[C@@H](c1ccccc1)C1CCC1 278959687 NQXVSCQGGXRIDJ-CJNGLKHVSA-N 242.366 3.810 30 20 BHED C=C[C@@H](C)Nc1nc(-c2ccc(F)cc2)cs1 301608263 ONBSHNUSLLOTLD-SECBINFHSA-N 248.326 3.936 30 20 BHED Cc1cc(C#N)cc(N[C@H](C)CC(C)C)c1 308107217 PPAMJCJKVJEWNS-GFCCVEGCSA-N 216.328 3.713 30 20 BHED N#CCCCCN[C@H]1CCCCC12CCCC2 310226150 GUKHPPSRWGKCEY-AWEZNQCLSA-N 234.387 3.773 30 20 BHED CC[C@@H](Nc1cccc(CC#N)c1)[C@@H]1CC1(C)C 397608475 BIPQRKLPQKMDBO-LSDHHAIUSA-N 242.366 3.989 30 20 BHED CC1(C)[C@@H](c2ccccc2)CCN1CCCC#N 421022049 PJLBZXMWEYWFQA-OAHLLOKOSA-N 242.366 3.558 30 20 BHED N#C[C@H]1CCC[C@H](NCCC2CCCCC2)C1 463291118 YQJDECXWVOUWKM-GJZGRUSLSA-N 234.387 3.629 30 20 BHED CCC[C@H](CC)SCCCSCC#N 477068957 QUBWXPBVZDBJNT-NSHDSACASA-N 231.430 3.945 30 20 BHED C=CCC(C)(C)CNC(=O)c1ccc(C=C)cc1 490036706 ZJDBRNHNTLYBBF-UHFFFAOYSA-N 243.350 3.662 30 20 BHED C=C(C)CN[C@H](c1cccc(C)c1)C(F)(F)F 510405348 BZNHLSQSAUNFSZ-GFCCVEGCSA-N 243.272 3.764 30 20 BHED C=CCCCCSCc1cc(C)no1 514824566 UCRFRHUAMXELEK-UHFFFAOYSA-N 211.330 3.573 30 20 BHED CCc1ccc(/C=C/c2ccc(C#N)cn2)s1 517476271 NYJPGZPOBMRTKP-AATRIKPKSA-N 240.331 3.748 30 20 BHED C=C(CC)CN(C)[C@H](C)c1cccs1 539094684 AFUYOFRMLYVQET-LLVKDONJSA-N 209.358 3.707 30 20 BHED C=CCN(C(=O)[C@H](C)CC1CCCCC1)C1CC1 540133283 FCNYEIAHZBJFCW-CYBMUJFWSA-N 249.398 3.770 30 20 BHED C=CCCN[C@H](c1cccc(C)c1)C(F)(F)F 543753994 RTUIBRSODOJMTC-GFCCVEGCSA-N 243.272 3.764 30 20 BHED C=CCCCc1nc([C@@H](C)C(C)(C)C)no1 547133119 GPONBSQMPMZSAQ-SNVBAGLBSA-N 222.332 3.728 30 20 BHED CCCC[C@@H](C)N(CCC#N)CCCC 555673750 ULCHOMPICGRBBJ-CYBMUJFWSA-N 210.365 3.581 30 20 BHED C=CCCCCOc1cc(C(C)=O)ccc1OC 571659337 DRQZFMTZHCVOKT-UHFFFAOYSA-N 248.322 3.633 30 20 BHED C/C=C/c1ccc(Nc2cccc(C#N)n2)cc1 574231781 NNOQFMLZBWHMNR-DUXPYHPUSA-N 235.290 3.730 30 20 BHED C[C@H](CCC#N)CN(Cc1ccccc1)C1CC1 602434524 FSHKWIMVFSDFLN-CQSZACIVSA-N 242.366 3.591 30 20 BHED C[C@H](CCC#N)CNCC(C)(C)C(C)(C)C 602670493 OWDVJBKYOJMOBQ-GFCCVEGCSA-N 224.392 3.588 30 20 BHED C=CC[C@H]1CC[C@H](NC2CC(C(F)(F)F)C2)C1 651812283 SPZOOHCBDODDLE-VOBJUBJWSA-N 247.304 3.662 30 20 BHED C=CC[C@@H](c1ccccc1)c1nc(C2CC2)no1 656745311 UXEIKSURGYZVHN-ZDUSSCGKSA-N 240.306 3.655 30 20 BHED C=CCNc1ccc(F)cc1OC1CCCC1 676234424 WCLBOSYJSRZQDB-UHFFFAOYSA-N 235.302 3.745 30 20 BHED C=CCCCC(=O)OC/C=C\c1ccccc1 748233827 JJLPOAZWKBTGFM-FLIBITNWSA-N 230.307 3.599 30 20 BHED C[C@@H](C=NOCC(F)F)c1cccc(Cl)c1 758906374 GFLDHJITIHEUAM-QMMMGPOBSA-N 247.672 3.711 30 20 BHED CCC(CC)NN=Cc1ccc(F)cc1Cl 767783319 WOPQJCMFZLVNOV-UHFFFAOYSA-N 242.725 3.591 30 20 BHED C#CCCCCC(=O)N(C1CCCCC1)C1CC1 773274463 DCODAWKVZYHTAR-UHFFFAOYSA-N 247.382 3.504 30 20 BHED CC[C@H]1CCCC(=NOC2CCCC2)C1 774603454 UBYYQMFZYYHHTO-NSHDSACASA-N 209.333 3.902 30 20 BHED Cc1[nH]c2ccccc2c1C=NOC1CCCC1 774603474 VBDVMGGKHJATIX-UHFFFAOYSA-N 242.322 3.769 30 20 BHED CCC#C[C@@H](C)N[C@H](CC)c1ccccc1OC 775082338 XAISXKRTEHNAJR-UKRRQHHQSA-N 245.366 3.538 30 20 BHED C[C@H](NN=Cc1c[nH]c2ccccc12)C(C)(C)C 793116304 WXEGXZBEKSAMCA-NSHDSACASA-N 243.354 3.526 30 20 BHED C#Cc1ccc(CN2CC[C@@H]2c2ccccc2)cc1 809539463 SVYQWCFZCVGSNO-GOSISDBHSA-N 247.341 3.615 30 20 BHED CCCCCCCCCS(=O)(=O)CC1CC1 812454137 ADHUUYCSXWHLQF-UHFFFAOYSA-N 246.416 3.562 30 20 BHED Cl/C=C\CON=C1CCCc2sccc21 814933913 FCZOVMTYMBGHGM-ZPENFKPTSA-N 241.743 3.558 30 20 BHED CC(CC(C)(C)C#N)=NNc1cc(C)ccc1F 853319356 PZNRKLGSDRFFQZ-UHFFFAOYSA-N 247.317 3.862 30 20 BHED CC(C)(C#N)CN[C@H](c1ccccc1)C1CCC1 903101781 LYUGVDRMJCIQOR-OAHLLOKOSA-N 242.366 3.667 30 20 BHED C[C@H](NN=C[C@@H]1CC=CCC1)c1ccccc1 920385265 AIUZSIUKCKMHAR-UONOGXRCSA-N 228.339 3.679 30 20 BHED Cc1cc(C)cc(C=NNc2cccc(C#N)c2)c1 921258931 SWNKXOSOLXWXKM-UHFFFAOYSA-N 249.317 3.621 30 20 BHED C=C(CC)C(=O)N[C@@H](C)c1ccc(SC)cc1 1347030378 FYSAUSZBUCWBBG-NSHDSACASA-N 249.379 3.552 30 20 BHED C=C(C)CCC(=O)Nc1ccc(OCC)cc1C 1357811964 NYLXWSVUMZBJEB-UHFFFAOYSA-N 247.338 3.689 30 20 BHED C[C@@H](S)CCc1ccc(OC(F)F)cc1 20476576 CKMDNIZFBBWOBL-MRVPVSSYSA-N 232.295 3.539 30 20 BHED C[C@@H]1CCCC[C@@H]1N(C)Cc1cccc(C#N)c1 55386620 ZLALQEINLGODHN-CJNGLKHVSA-N 242.366 3.569 30 20 BHED C=CCCNc1ccccc1C(C)(C)C 70592519 FAIZKWPTLCLKRR-UHFFFAOYSA-N 203.329 3.972 30 20 BHED CCCCCCCCNC[C@H]1CCC=CO1 126761969 COIKWNHEOPLGCW-CQSZACIVSA-N 225.376 3.629 30 20 BHED C=CCC[C@H](C)Nc1cccc(-c2ccn[nH]2)c1 130660772 HWSNJUIMIDETHH-LBPRGKRZSA-N 241.338 3.843 30 20 BHED C=C(Cl)CN[C@H](CC)C[C@H](C)CC 161752960 TXKREHPSWRSJAO-MWLCHTKSSA-N 203.757 3.543 30 20 BHED C#CCCCC(=O)N[C@H](C)CCC1CCCCC1 192125143 VNJUJGBGGCRRKW-CQSZACIVSA-N 249.398 3.655 30 20 BHED CC(C)=CCC[C@H](C)CCN1CCC(C#N)CC1 193242631 ZHFZLCBZVZQCLP-HNNXBMFYSA-N 248.414 3.995 30 20 BHED Cc1cc(F)ccc1/C=C\c1ccc(C#N)cn1 255141957 WFRFYMOWUAKTBX-DAXSKMNVSA-N 238.265 3.571 30 20 BHED C=CCCC(=O)N(Cc1ccccc1)[C@H](C)CC 263722123 YJDCWQLOGXJZHH-CQSZACIVSA-N 245.366 3.780 30 20 BHED C=CC(C)(C)C(=O)Nc1ccsc1Cl 295701383 FGOJPEZKZOYOCQ-UHFFFAOYSA-N 229.732 3.552 30 20 BHED C=CCC[C@@H](NCC1CCC1)c1ccco1 309712863 XSXUCBAOHSFUJD-CYBMUJFWSA-N 219.328 3.677 30 20 BHED C[C@@H]1C[C@@H](NCC2(CC#N)CC2)c2ccccc21 344088284 QBTYAJJNAOEJBV-IUODEOHRSA-N 240.350 3.518 30 20 BHED C=C1CCN(Cc2ccc(Cl)c(F)c2)CC1 353323376 YZRWDGMVKUEIHU-UHFFFAOYSA-N 239.721 3.631 30 20 BHED C=CCCC1(C(=O)N2CC3(CCC3)C[C@@H]2C)CC1 357123242 KJHBUQFFNWOYHZ-ZDUSSCGKSA-N 247.382 3.524 30 20 BHED C=CC[C@H](CC)N[C@@H](C)Cc1ccc(F)cc1 393805871 WNSSLRLSBOEQFE-WFASDCNBSA-N 235.346 3.701 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C 410478174 YJLULPUGLFWMLS-YNEHKIRRSA-N 237.387 3.530 30 20 BHED N#CCCN[C@H](c1ccccc1F)C1CCCC1 411478517 ULUMQPJFTYTURO-HNNXBMFYSA-N 246.329 3.560 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C 424750088 FTZYEDFFNUKVBG-IHRRRGAJSA-N 237.387 3.674 30 20 BHED C=CCC(C)(C)C(=O)NC[C@@H]1CCCC[C@@H]1C 429891912 RWGYITKSHFPVSV-STQMWFEESA-N 237.387 3.531 30 20 BHED C=CCCCN1CC[C@@H](c2ccccc2)[C@H]1C 434900463 NATQZHGTLUBIQJ-GDBMZVCRSA-N 229.367 3.831 30 20 BHED C=C1CCN(Cc2cccc3ccoc23)CC1 449023927 WJYVICPSFCEZLO-UHFFFAOYSA-N 227.307 3.585 30 20 BHED C=CC(C)(C)CN[C@@H](C)CCc1ccsc1 449486908 VWVWOXATUGPABA-LBPRGKRZSA-N 237.412 3.871 30 20 BHED CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C1CCCC1 449665025 DAUKRFPTVILZGC-YUELXQCFSA-N 234.387 3.627 30 20 BHED C=C(C)CCNC(=O)c1sccc1C(C)C 452725615 SKVBAGMZYOAFFH-UHFFFAOYSA-N 237.368 3.568 30 20 BHED C=CCC[C@@H](CC)N[C@@H](C)Cc1cccc(O)c1 462113173 RBPLQDDPCBQXEO-DZGCQCFKSA-N 247.382 3.658 30 20 BHED CC#CCCN(Cc1ccoc1)C1CCCCC1 462313339 LCRRKRMYOPTFGE-UHFFFAOYSA-N 245.366 3.828 30 20 BHED C=C(C)CN[C@@H](c1ccc(F)cc1)C1CCC1 472249825 LHKIYQLMVSYTGB-OAHLLOKOSA-N 233.330 3.833 30 20 BHED C=CCN(CC=C)Cc1ccc(Cl)c(F)c1 505886467 FYLCMKUAKOARKF-UHFFFAOYSA-N 239.721 3.653 30 20 BHED C=C(C)CN(Cc1ccc(CC)cc1)C1CC1 506897652 OMAKAVAMNRRIPW-UHFFFAOYSA-N 229.367 3.790 30 20 BHED C=C(C)CCc1noc(C[C@@H](C)C(C)(C)C)n1 508613370 DJLBTMDCPDDMCS-LLVKDONJSA-N 236.359 3.803 30 20 BHED C=C[C@@](C)(CC)c1nc(Cc2cccs2)no1 525954787 XZTVSACXKVQBPY-ZDUSSCGKSA-N 248.351 3.576 30 20 BHED C=CC[C@@H](C)N[C@@H](Cc1ccc(C)cc1)C1CC1 539072393 YFXSFJHZNOOPPZ-PBHICJAKSA-N 243.394 3.870 30 20 BHED C=C(CC)CN(CC)CCc1ccccc1 540193763 DULFXIFDABKQIA-UHFFFAOYSA-N 217.356 3.517 30 20 BHED C=C(CC)CN[C@@H](Cc1ccccc1)C1CC1 544442001 CXVMSBVTYPXRPK-INIZCTEOSA-N 229.367 3.564 30 20 BHED C=CCCCCNC(=O)C[C@@H]1CCCC[C@H]1C 546724392 SAOHURCDJBIOTK-KGLIPLIRSA-N 237.387 3.675 30 20 BHED C=CCC[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccco1 572731705 VKBGCSVQNIYQDN-YNEHKIRRSA-N 237.318 3.767 30 20 BHED C=CCC[C@@H](C)NC1CCC(OC(C)C)CC1 680475473 KVHFMMMDCQISJL-WLYUNCDWSA-N 239.403 3.667 30 20 BHED C[C@@H](COc1ccc(C#N)cc1F)C(C)(C)C 711192830 UJCJROZGXXYFHH-JTQLQIEISA-N 235.302 3.758 30 20 BHED CCC(CC)NN=Cc1ccc(Cl)c(F)c1 734365304 WDSWEWCKZYCKJM-UHFFFAOYSA-N 242.725 3.591 30 20 BHED CC(C)[C@@H]1CCCC1=NNc1ccccc1 747737390 ZJKXCTBXRQTMSB-ZDUSSCGKSA-N 216.328 3.911 30 20 BHED C=CCCCC(=O)OCc1cc2ccccc2o1 748667674 NLPKWLIGDIRQDM-UHFFFAOYSA-N 244.290 3.832 30 20 BHED C=CCOC(=O)[C@@H](C)c1ccc2ccccc2c1 753400944 XZTDMQXXTPASQJ-LBPRGKRZSA-N 240.302 3.673 30 20 BHED C#CCN(C/C(Cl)=C/Cl)C1CCCCC1 763507889 PTLKWAOJMLFAQQ-LUAWRHEFSA-N 246.181 3.573 30 20 BHED Cc1ccnc(NN=C2CC[C@@H](C)[C@@H](C)C2)c1 767385371 NABWVAHOYFASTP-NEPJUHHUSA-N 231.343 3.614 30 20 BHED FC(F)(F)CON=CCC[C@H]1C[C@H]2CC[C@H]1C2 768784116 LFHPUPMSGUJTTL-VWYCJHECSA-N 249.276 3.768 30 20 BHED CCCCCCCC(C)=NNCC(F)(F)F 769813438 FTZOZFUAKIGYEM-UHFFFAOYSA-N 238.297 3.875 30 20 BHED CC1(C)CCC[C@H](C=NNc2ccnc(F)c2)C1 781132763 IRBSARSQMARSME-NSHDSACASA-N 249.333 3.835 30 20 BHED C=C(Cl)CN[C@H]1CC[C@@](C)(c2ccccc2)C1 783251303 JRVIUFWICHVPJG-LSDHHAIUSA-N 249.785 3.839 30 20 BHED CCCC[C@@H]1CCCC1=NNc1cccc(F)n1 795009501 BFABDHAUHLTBEX-LLVKDONJSA-N 249.333 3.979 30 20 BHED CC(=NOCCC(F)(F)F)c1cc(C)c(C)o1 799885630 KDJJRBUHAHPSLB-UHFFFAOYSA-N 249.232 3.589 30 20 BHED CC(CC1CC1)=NNc1ccc(F)c(F)c1F 814945096 KSMOBZMAKMJUKL-UHFFFAOYSA-N 242.244 3.692 30 20 BHED C=CCC(C)(C)CNCc1cc(C)c(C)cc1O 815142607 WKCWXGZMJWOPDS-UHFFFAOYSA-N 247.382 3.701 30 20 BHED c1ccc2c(c1)CC[C@@H]2CCON=C1CCC1 853669715 NRVGUTUXXBKCLK-CYBMUJFWSA-N 229.323 3.663 30 20 BHED C#CCCCCCCN[C@@H]1CCCC(F)(F)C1 877088379 DYJUPJVEGGDMAK-CYBMUJFWSA-N 243.341 3.738 30 20 BHED CC(C)(C#N)CN[C@H](CC1CC1)c1ccccc1 903100699 VSVXXNFYQHTGTR-OAHLLOKOSA-N 242.366 3.667 30 20 BHED Cc1cccc(C=NNc2ccc(F)cc2F)c1 916248065 IFBQVHRDIBEIHA-UHFFFAOYSA-N 246.260 3.719 30 20 BHED Cc1cccc(NN=C2CCc3ccccc32)c1 916255131 CUDIWGKOWHWXDM-UHFFFAOYSA-N 236.318 3.757 30 20 BHED N#Cc1ccc(SC2CCCC2)c([N+](=O)[O-])c1 32533609 IWXDUFULIHRDEH-UHFFFAOYSA-N 248.307 3.501 30 20 BHED C[C@H]1CCCN(c2ccc(Cl)cc2C#N)CC1 110513649 WQWCIHVBIRPSNP-NSHDSACASA-N 248.757 3.838 30 20 BHED C=CCC[C@H](C)NCc1ccc(F)c(Cl)c1 126812889 DXMJLYREFLGIQQ-JTQLQIEISA-N 241.737 3.923 30 20 BHED C=C(C)COc1cccc(NCc2ccco2)c1 129251651 HQNAQYTWIRRZFU-UHFFFAOYSA-N 243.306 3.847 30 20 BHED Cc1ccc(C(=O)/C=C/c2cncs2)c(C)c1 129942278 YBZVDRIMFNNBLR-GQCTYLIASA-N 243.331 3.656 30 20 BHED C=C(Cl)CN[C@@H]1c2cc(C)ccc2C[C@H]1C 134586802 TXPOGQXYCHMRIP-YGRLFVJLSA-N 235.758 3.570 30 20 BHED C=C[C@H](C)NCc1cc(Cl)ccc1Cl 159643172 UYXISLFGNPNBHY-QMMMGPOBSA-N 230.138 3.658 30 20 BHED C=C(C)CCNc1ccccc1OC(F)F 168955039 JCKRUJBPHTUNBB-UHFFFAOYSA-N 227.254 3.666 30 20 BHED C=CCCCNC(C)(C)c1cccc(F)c1 179574440 NGDOASTYEMOGGN-UHFFFAOYSA-N 221.319 3.617 30 20 BHED N#Cc1ccnc(Sc2ccccc2)c1Cl 236060779 BPFSNHPKEQMSIC-UHFFFAOYSA-N 246.722 3.758 30 20 BHED COC1(CCSc2ccc(C#N)cc2)CCC1 338544834 BMTGDBKEMIXPJC-UHFFFAOYSA-N 247.363 3.610 30 20 BHED CC[C@H](NCCC(C)(C)C#N)c1ccc(C)cc1 345955603 STVLOPQRRCYHPW-HNNXBMFYSA-N 244.382 3.976 30 20 BHED C=CCCC1(c2nc([C@H](C)C3CC3)no2)CC1 346758118 FIGAVXSWOSFBFX-SNVBAGLBSA-N 232.327 3.581 30 20 BHED C=CC[C@H](CC)N[C@@H]1CC(C)(C)C[C@@H]1C 379948057 RSBGVRCEVJGSPF-RWMBFGLXSA-N 209.377 3.755 30 20 BHED N#CC1(CSCC2CCCC2)CCCC1 405155932 KQFPNFLPZDJDHG-UHFFFAOYSA-N 223.385 3.994 30 20 BHED N#CCCSCc1ccc(Cl)c(F)c1 413010737 HHSPVNNZXBDNFC-UHFFFAOYSA-N 229.707 3.626 30 20 BHED C=CCCCCN[C@@H](C)c1ccncc1Cl 421845473 XIEIQYGPEBVJSL-NSHDSACASA-N 238.762 3.742 30 20 BHED C=C(C)CN(C)CCCCCOc1ccccc1 437802666 RWUODDPSGICEHS-UHFFFAOYSA-N 247.382 3.744 30 20 BHED CC(C)C[C@H]1CCCCN1CC1(C#N)CCC1 450584530 ONMGZVREWWKTLD-CQSZACIVSA-N 234.387 3.581 30 20 BHED CC[C@H](C)CCC(=O)Nc1cccc(CC#N)c1 456758665 VFOKTYPAIHQKNM-LBPRGKRZSA-N 244.338 3.517 30 20 BHED CC#CCCN1C[C@H](c2ccccc2C)C[C@@H]1C 462314082 NJTBNOMVSGUJPL-JKSUJKDBSA-N 241.378 3.586 30 20 BHED C=CCCCCCN(C)C1CCC(OC)CC1 487869373 GWXLEVTVZNCNDR-UHFFFAOYSA-N 239.403 3.622 30 20 BHED C=C(C)CN[C@@H](Cc1ccc(F)cc1)C(C)C 495479689 KNMURDFQEUTHMZ-HNNXBMFYSA-N 235.346 3.559 30 20 BHED C=CCCCC(=O)N(CC)Cc1ccc(C)cc1 531359722 WKRSEXCQRKTVKS-UHFFFAOYSA-N 245.366 3.700 30 20 BHED C=C(C)CN[C@@H](C)c1ccccc1OC(C)C 537021809 MWSDXUBANDTPSK-ZDUSSCGKSA-N 233.355 3.701 30 20 BHED CC(C)(C)[C@@H]1CCC[C@@H](NCC2(C#N)CC2)CC1 570671906 XYOIUCFXAFXEDN-ZIAGYGMSSA-N 248.414 3.875 30 20 BHED C=CCC1(NCc2ncccc2C)CCCCC1 648777346 BNZCWPKJTLXYOH-UHFFFAOYSA-N 244.382 3.759 30 20 BHED C=CC[C@H]1CCCC[C@@H]1NCCCCCOC 657860157 CFHLBSGQUULVCP-GJZGRUSLSA-N 239.403 3.528 30 20 BHED CC1(C)CCC(=NOCc2cccnc2)CC1 746576529 KMECCQZDAVMZLS-UHFFFAOYSA-N 232.327 3.554 30 20 BHED Cc1ccc(F)c(NN=Cc2cccc(F)c2)c1 759667630 TUOWPNJNTUPAJE-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C#Cc1cccc(NC(=O)C(CC)(CC)CC)c1 760323296 SKMQMKWGNATVDO-UHFFFAOYSA-N 243.350 3.823 30 20 BHED CC(C)C[C@H](C)CC(=O)OCCC(C)(C)C#N 776383625 OJSCFYCQRFQFKX-LBPRGKRZSA-N 239.359 3.542 30 20 BHED C=CCCN(C)C(=O)C(C)(C)C1CCCCC1 786223990 ULSMRRMJZZOTIA-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C[C@]1(C=NNc2ccc(F)cc2)CCCS1 792885701 PCARJOMZTUWJRC-GFCCVEGCSA-N 238.331 3.509 30 20 BHED CC[C@@H](C)CON=Cc1ccc2ncccc2c1 793144620 FASXLIHOKLJKOP-GFCCVEGCSA-N 242.322 3.631 30 20 BHED CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NN=C1CCCC1)C2 794540762 CVJSNGZVVMOBKK-WHOFXGATSA-N 234.387 3.721 30 20 BHED CC(C)CON=C[C@H](C)C1CCCCC1 814883858 DPOTWCYAYHYECC-LBPRGKRZSA-N 211.349 3.861 30 20 BHED Clc1ccc(C=NOC2CCCCC2)o1 814909257 GCBLYGGNCHNOPY-UHFFFAOYSA-N 227.691 3.616 30 20 BHED C#CCCCCC(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C 839891919 PRLVBORTNSNRCB-UONOGXRCSA-N 249.398 3.511 30 20 BHED C=CCC1(NC(=O)OC2CCCC2)CCCC1 849470124 VZAHLILAKOHJJR-UHFFFAOYSA-N 237.343 3.544 30 20 BHED CCCC[C@@H](C(=O)OCC(C)(C)C#N)C(C)C 857017716 SIOVIKCJBHOSFE-GFCCVEGCSA-N 239.359 3.542 30 20 BHED C=CCN(C(=O)[C@@H](F)c1ccccc1)C(C)(C)C 857651102 RSEASWCGSFWLJM-ZDUSSCGKSA-N 249.329 3.510 30 20 BHED CCCCCCCCCC(=O)N1C[C@H]2C[C@@H]2C1 862551610 SVGCXWGUOAECBU-ZIAGYGMSSA-N 237.387 3.605 30 20 BHED C=C(C)CNc1ccc(OC)cc1C(F)(F)F 920402259 FVFXVXNXCNHLMT-UHFFFAOYSA-N 245.244 3.702 30 20 BHED C=C(C)CCNC(=O)C(C)(C)C1CCCCC1 1326706488 HGFVIHNCEBUKAX-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C[C@@H]1CCCC[C@@H]1COc1cccc(C#N)c1 1656180359 XMAUWHMDPXRZSL-TZMCWYRMSA-N 229.323 3.763 30 20 BHED C[C@H]1CN(Cc2ccc(C#N)cc2)c2ccccc21 61072779 UDGZHPOAEZIUEG-ZDUSSCGKSA-N 248.329 3.682 30 20 BHED C#CCCSc1ccc(Br)cc1 82496853 PFFAXVAJKKTAKO-UHFFFAOYSA-N 241.153 3.565 30 20 BHED Cc1cc(SCC(C)C)ccc1C#N 88124893 NRSLLVVUGGJEBU-UHFFFAOYSA-N 205.326 3.615 30 20 BHED C=C(Cl)CSCc1csc(CC)n1 121724622 DCCMOTCNGPEKFZ-UHFFFAOYSA-N 233.789 3.691 30 20 BHED C=CCC(CC=C)C(=O)N1[C@H](C)CCC[C@H]1C 130679950 DKAUYZGSRHLDTL-CHWSQXEVSA-N 235.371 3.544 30 20 BHED C#CCCCCN[C@H](CC)c1ccccc1 130692246 DTPPERNBTFSXCY-OAHLLOKOSA-N 215.340 3.531 30 20 BHED C=C[C@H](C)N[C@@H](C)c1oc2ccccc2c1C 132669909 VFIQKXBYMVBHSZ-JQWIXIFHSA-N 229.323 3.966 30 20 BHED CC(C)=CCC[C@H](C)NCc1cccc(C#N)c1 151375346 GMUHBPWSHIGJGU-AWEZNQCLSA-N 242.366 3.783 30 20 BHED C=C(Cl)CN[C@@H](c1ccccc1)C(F)(F)F 167900058 GVFNPUBTMYWDFT-JTQLQIEISA-N 249.663 3.632 30 20 BHED C=CCC(CC=C)C(=O)NC1C[C@H](C)C[C@@H](C)C1 177169617 HZDQPSKVYRSVJB-CHWSQXEVSA-N 249.398 3.696 30 20 BHED C=CC1CCN(C(=O)[C@H]2CCCC(C)(C)C2)CC1 178904335 RFYSPMLPFFKSEB-AWEZNQCLSA-N 249.398 3.627 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cc(F)cc(F)c1 189968241 IMQSCIBRMUSYOK-CYBMUJFWSA-N 239.265 3.506 30 20 BHED CC(C)(C#N)CCNc1ccc(C#N)cc1Cl 232527533 YYLCCFBVJKTZDX-UHFFFAOYSA-N 247.729 3.563 30 20 BHED C=CCC(CC=C)C(=O)N(CC)[C@H](C)C(C)C 268234001 KVVZDWUCAQHEKJ-CYBMUJFWSA-N 237.387 3.648 30 20 BHED C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1Cl 274394880 BXPFCRJRTNJABF-TUAOUCFPSA-N 248.757 3.683 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1cc(F)ccc1O 281607136 MQSLZCAQNCUQCM-JQWIXIFHSA-N 237.318 3.537 30 20 BHED N#CCc1cccc(Nc2nc(Cl)cs2)c1 313449425 OZUGLRFBMBDIIM-UHFFFAOYSA-N 249.726 3.606 30 20 BHED C=C(CC)CNCc1ccc(C(F)F)cc1 313482158 MCQBXPIRQMMMRL-UHFFFAOYSA-N 225.282 3.680 30 20 BHED CC1(C)CC[C@@H](Nc2ncc(C#N)cc2Cl)C1 351500808 GGPCNIHMVZZZGS-SNVBAGLBSA-N 249.745 3.597 30 20 BHED C=CCC(C)(C)CNCc1sccc1C 381807287 BFBSMBZOPOCCDO-UHFFFAOYSA-N 223.385 3.748 30 20 BHED C=CCC(C)(C)CN[C@H]1CCC[C@H]1CC 381834762 QJVONQMFFVYFME-OLZOCXBDSA-N 209.377 3.757 30 20 BHED CC1(C)CC[C@@H]1Nc1ccc(C#N)c(Cl)c1 390588820 RRQHKIFOPQPGDX-LBPRGKRZSA-N 234.730 3.812 30 20 BHED CC(C)(CC1CCCCCC1)NCCC#N 411622392 YQCLHTWKDIVMTE-UHFFFAOYSA-N 222.376 3.629 30 20 BHED CC(C)OC1CC(Sc2ccc(C#N)cc2)C1 412990452 ICYUPSLSCFDWIA-UHFFFAOYSA-N 247.363 3.606 30 20 BHED CC#CCCSCc1ccc(C(C)=O)cc1 419513311 ZDNDKEHWDJMXPX-UHFFFAOYSA-N 232.348 3.536 30 20 BHED C=CCCCCNC/C=C\c1ccc(F)cc1 472073763 OGDOREMVMJWIFN-SREVYHEPSA-N 233.330 3.785 30 20 BHED C=CC1CCN([C@H](C)c2cccc(F)c2)CC1 522083375 RFDJJNGLCUJNMN-GFCCVEGCSA-N 233.330 3.785 30 20 BHED C=CCC(CC=C)C(=O)N1C[C@@H](C)CC(C)(C)C1 542438028 HYFMQHWVDZGLKO-ZDUSSCGKSA-N 249.398 3.649 30 20 BHED C=CCCC1(c2nc(C(C)(C)CC=C)no2)CC1 551498269 SNLBWPDEFDWHMV-UHFFFAOYSA-N 246.354 3.921 30 20 BHED CCCC[C@H](N[C@@H]1CC[C@@H](C#N)C1)C1CCC1 559150368 UKZGKRSTCZFGFF-YUELXQCFSA-N 234.387 3.627 30 20 BHED C=CCCCCSC[C@@H]1CCCCO1 577165639 UZDXFEHSMDLPHM-LBPRGKRZSA-N 214.374 3.645 30 20 BHED N#Cc1cncc(-c2cccc(C3CCC3)c2)c1 593950933 CUZGTADLLFCDKT-UHFFFAOYSA-N 234.302 3.888 30 20 BHED C[C@H](N[C@]1(C)CC1(C)C)c1ccc(C#N)cc1F 595105913 UHAOMDGJSLKTGR-ZUZCIYMTSA-N 246.329 3.537 30 20 BHED N#Cc1cccc(Cl)c1N1C[C@@H]2CCCC[C@@H]21 596294270 JHHRLWVLRFQGHQ-AAEUAGOBSA-N 246.741 3.590 30 20 BHED C=CCCCCCN(C)C[C@H](C)CCC#N 602476681 ZEBYUXDQTBSNJW-CQSZACIVSA-N 222.376 3.604 30 20 BHED CC[C@@H](C)n1ncc(NC[C@@H](C)CCC#N)c1C 602629424 GLVHYMOPJWHXAY-NWDGAFQWSA-N 248.374 3.514 30 20 BHED CCc1ccc(C(=O)/C=C\c2scnc2C)o1 752238302 QKCYYCJKCHDMPH-ALCCZGGFSA-N 247.319 3.503 30 20 BHED C#CCCN(C1CC1)[C@@H](C)c1ccccc1Cl 764234489 RABFBMJHMDEZQO-LBPRGKRZSA-N 247.769 3.889 30 20 BHED CCC1(C(=O)OCCCCC#N)CCCCC1 764674740 XHFDBKQWDBRPFY-UHFFFAOYSA-N 237.343 3.584 30 20 BHED C=C[C@@H](CC(=O)OCC(=C)CC)c1ccccc1 773544106 FPFHKOVNZYVHIR-AWEZNQCLSA-N 244.334 3.856 30 20 BHED CCNc1ccc(C#N)cc1NCC1CCCC1 776844643 XQMSBUDNNKFQNT-UHFFFAOYSA-N 243.354 3.592 30 20 BHED C=CCCN(C)C(=O)[C@@H](CC)CCCCC 786224452 JFOCEEUKWSTVFM-ZDUSSCGKSA-N 225.376 3.627 30 20 BHED C=C(CC)COC(=O)c1occc1C(C)C 792597603 IIBUOWWCBPAOKE-UHFFFAOYSA-N 222.284 3.526 30 20 BHED C[C@@H]1C(=NN[C@H](C)C(C)(C)C)CCC[C@H]1C 793116207 RGJJZSGWDMNJSA-GRYCIOLGSA-N 224.392 3.823 30 20 BHED C[C@H]1CCCC(=NNc2cccc(Cl)n2)C1 793181717 ZFQXACJRBZHCMP-VIFPVBQESA-N 237.734 3.713 30 20 BHED C=CCCCCC[C@H](C)NC[C@@H]1CCCOC1 793522993 OPVYNAVGBIOZIK-GJZGRUSLSA-N 239.403 3.528 30 20 BHED C=CCCCCC[C@@H](C)NC[C@@](C)(O)C(C)C 793542591 ROZODLSFINFGAZ-HUUCEWRRSA-N 241.419 3.508 30 20 BHED c1ccc(CCCNN=C2CCC23CCC3)cc1 799878611 BJSDQYGRBNBNIJ-UHFFFAOYSA-N 242.366 3.529 30 20 BHED CCSCOc1c(C)cc(Cl)cc1C#N 817586338 UGGNSFLPGOSNTP-UHFFFAOYSA-N 241.743 3.610 30 20 BHED Clc1cccc([C@H]2CCC(=NNC3CC3)C2)c1 841632167 MWXMNMAPCGKKBH-NSHDSACASA-N 248.757 3.716 30 20 BHED C=CCCCN[C@H](C)c1ccc(Cl)cc1O 841752918 REPCSQRLBRHCLI-SNVBAGLBSA-N 239.746 3.662 30 20 BHED C=CCCOC(=O)[C@H](C)c1ccc(Cl)cc1 845332255 NNPWEXNZDCFWKA-SNVBAGLBSA-N 238.714 3.563 30 20 BHED C=CCCCN[C@@H](C)c1ccc2c(c1)CCCO2 850465767 IUZRTQHEJLOZPP-ZDUSSCGKSA-N 245.366 3.628 30 20 BHED CC(C)CCN(CCC#N)C[C@H](C)CC(C)C 1167559134 YCTGSNNGCOPKAQ-OAHLLOKOSA-N 238.419 3.930 30 20 BHED C[C@@H]1CCCC[C@H]1COc1ccccc1C#N 1472939148 QAKUZNLWLYHGAG-OCCSQVGLSA-N 229.323 3.763 30 20 BHED N#C[C@H]1CC[C@@H](N[C@@H]2CCCCC23CCCC3)C1 1560897979 TXSRFUVFKVYFMV-RRFJBIMHSA-N 246.398 3.771 30 20 BHED CC(C)C[C@@H]1CCC[C@@H](NCC2(C#N)CCC2)C1 1658744821 NRGDYXMDECUBLB-LSDHHAIUSA-N 248.414 3.875 30 20 BHED C#Cc1cccc(NCc2cc(F)ccc2F)c1 37228221 PRPAGGABYXUORF-UHFFFAOYSA-N 243.256 3.558 30 20 BHED N#Cc1ccc(N2CC[C@@H](c3ccccc3)C2)cc1 50266884 IAJXEBFUAKNMTR-MRXNPFEDSA-N 248.329 3.552 30 20 BHED C#CCCCCC(=O)N[C@H]1CCC(C)(C)C[C@H]1C 119955888 JWJSOILQBTWODD-KGLIPLIRSA-N 249.398 3.511 30 20 BHED C=CCC[C@H](C)Nc1cccc(COC)c1 126890555 YEPYGTAPHILOHB-LBPRGKRZSA-N 219.328 3.600 30 20 BHED C=CCC[C@@H](C)Nc1ccc(OCC)c(F)c1 130616797 HPKYBMHWXDGGAQ-LLVKDONJSA-N 237.318 3.991 30 20 BHED CC(C)[C@H](C)SCc1ccc(C#N)cc1 231192412 CJPQEEPYRNHLNU-NSHDSACASA-N 219.353 3.836 30 20 BHED Cc1c(F)cccc1N=Cc1ccccc1O 254878723 BIXAPIVTMCSIRQ-UHFFFAOYSA-N 229.254 3.590 30 20 BHED N#C[C@H]1CC[C@H](Sc2ccc(F)cc2)C1 278660435 XANNBWZKHWBJMO-CABZTGNLSA-N 221.300 3.610 30 20 BHED Cc1nc(NCCC2CCC2)c(Cl)cc1C#N 310145029 LHALEOINBBBUGS-UHFFFAOYSA-N 249.745 3.517 30 20 BHED C=CC(C)(C)CNC/C=C/c1ccccc1 385033801 LNQCXZGPWZPFIX-DHZHZOJOSA-N 215.340 3.502 30 20 BHED C=C[C@@](C)(CC)C(=O)N(CC)Cc1occc1C 412798654 JPNNDXQCJCJBAZ-HNNXBMFYSA-N 249.354 3.539 30 20 BHED C[C@H]1CCC[C@H](CCSCCC#N)C1 413016632 WSBFQRKXHKVKDB-NWDGAFQWSA-N 211.374 3.850 30 20 BHED Cc1c2c(nc3ccccc13)CC[C@@](C)(C#N)C2 416388118 KZNDTRXDSQTCIK-MRXNPFEDSA-N 236.318 3.562 30 20 BHED CC(C)[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 443982040 CTHLEARZDBACPH-CYBMUJFWSA-N 246.329 3.570 30 20 BHED CC#CCCCC(=O)N(CCCC)[C@@H](C)CC 464549294 ZVAATBWNEVCJOX-AWEZNQCLSA-N 237.387 3.607 30 20 BHED CC[C@]1(C)CCN([C@@H](C)c2ccc(C#N)cc2)C1 468138307 MHZJAXJMRPTYLV-XJKSGUPXSA-N 242.366 3.741 30 20 BHED C=C[C@H]1CCCCN1Cc1ncc(C(C)(C)C)o1 489445003 KXTPRAUEQKSFFF-LBPRGKRZSA-N 248.370 3.513 30 20 BHED C=CCCCCCN(C)[C@@H]1C=CCCC1 523552017 MHTBSDQKWNHPBK-CQSZACIVSA-N 207.361 3.773 30 20 BHED C[C@H]1CC[C@H](Sc2cccc(C#N)c2)C1 540923433 BXDNGEHQVHUINO-GWCFXTLKSA-N 217.337 3.839 30 20 BHED C=CCC(CC=C)C(=O)N1CC[C@@H](C(C)(C)C)C1 543172155 FAXUUQRNVZWHOP-CQSZACIVSA-N 249.398 3.649 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCC(C)(C)C1 543796822 PEXZHQYHVOOZMU-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C/C=C/c1ccc(NC[C@@H](C#N)CCC#N)cc1 562289823 IQVVAVITWSCPMJ-KWEXDPCDSA-N 239.322 3.575 30 20 BHED C=CCCCCN[C@H](CC(F)(F)F)C(C)C 569070453 KTYZKMASPUSAQL-LLVKDONJSA-N 237.309 3.909 30 20 BHED Cc1ccccc1[C@H](C)N1CCC[C@@H](CC#N)C1 595613173 AFQLHCYGVGAMTK-GJZGRUSLSA-N 242.366 3.682 30 20 BHED C=C(C)CSC[C@H](OC)c1ccc(F)cc1 600623874 RTTDLYSIOQIGSO-ZDUSSCGKSA-N 240.343 3.823 30 20 BHED N#C[C@H](SCc1c(F)cccc1F)C1CC1 601082724 OCJLJWBGRQQTSM-LBPRGKRZSA-N 239.290 3.500 30 20 BHED CC[C@@H](CC#N)N[C@@H](C)[C@@H]1C[C@H]1c1cccs1 602613220 UENTYVYIEZLDLW-ZDEQEGDKSA-N 248.395 3.522 30 20 BHED Cc1cccc(CN(C)C[C@@H](C)CCC#N)c1C 602673598 WDWYEBNEQWCJNM-ZDUSSCGKSA-N 244.382 3.675 30 20 BHED N#Cc1ccc(CN2C3CCCC2CCC3)s1 611274155 ZKWWKAWFPZIEND-UHFFFAOYSA-N 246.379 3.527 30 20 BHED C=CCCCOC(=O)c1ccc(Cl)cc1F 735528810 UUDUUCOPGAUEAO-UHFFFAOYSA-N 242.677 3.602 30 20 BHED C=C(Cl)CN1CCCC[C@H]1[C@@H](C)CC 740423835 UDJIAGMVLMOKJU-JQWIXIFHSA-N 215.768 3.640 30 20 BHED C=CCCCNc1ccc(C(=O)OCCC)cc1 740873184 XOAPELKRNNFNRQ-UHFFFAOYSA-N 247.338 3.632 30 20 BHED CC[C@H](C)C[C@H](C)/N=C\c1c(O)cccc1OC 743042519 LTFMVHZIMIPDBY-MJQZAILXSA-N 249.354 3.644 30 20 BHED C=CCCC(CC)=NNc1ccccc1[N+](=O)[O-] 750913217 XAVZIOTZKBYONK-UHFFFAOYSA-N 247.298 3.739 30 20 BHED C#CCCSc1ncc(C(C)C)n1C(C)C 751786527 VLLYAKRQDMEEAJ-UHFFFAOYSA-N 236.384 3.703 30 20 BHED c1ccc(CON=C2CC3(CCC3)C2)cc1 772842192 YUNIKENRKWYMJU-UHFFFAOYSA-N 215.296 3.523 30 20 BHED O=C(/C=C\c1cccs1)c1ccnc(Cl)c1 779462485 NFWGHQOEDSASDT-ARJAWSKDSA-N 249.722 3.693 30 20 BHED CC1CCC(=NNc2cccc(Cl)n2)CC1 793163747 MTDURPYYZPARPR-UHFFFAOYSA-N 237.734 3.713 30 20 BHED CC[C@@H](C=NOC/C=C/Cl)c1ccccc1 814933901 DXAXGYMAISXDDQ-MUHRQRHFSA-N 237.730 3.935 30 20 BHED CC(CC(C)(C)C)=NNc1cccc(C(=O)O)c1 834916335 ZTMZLMZCBDIRHP-UHFFFAOYSA-N 248.326 3.609 30 20 BHED CCCON=CC[C@@H](C)c1ccccc1 842551710 CCXJSNHDOHZWQI-GFCCVEGCSA-N 205.301 3.593 30 20 BHED C=C[C@H](C)ON=C[C@@H]1C(C)=CCC[C@@H]1C 844621351 GNVXVMRVRXFLLQ-RWMBFGLXSA-N 207.317 3.556 30 20 BHED C=C[C@H](C)ON=C1CCC[C@@H](c2cccnc2)C1 844626497 WLKVOXCVYSSOTN-QWHCGFSZSA-N 244.338 3.686 30 20 BHED C=C[C@@H](C)ON=C(C)Cc1ccc(C)cc1 1327220170 DDFITAJXUBWFKF-CYBMUJFWSA-N 217.312 3.505 30 20 BHED C=C[C@H](CC)CC(=O)N1CC[C@H]2CCCC[C@@H]2C1 1334872960 OVTJVLPEPMNLMT-RBSFLKMASA-N 249.398 3.627 30 20 BHED N#C[C@H](Sc1ccc2c(c1)CCCC2)C1CC1 1613876011 VYTYLLKHTOGKKW-HNNXBMFYSA-N 243.375 3.960 30 20 BHED Cc1ccc(C#N)cc1NC[C@@H]1CC=CCC1 50429671 PPDZYGBFVKNWHY-CYBMUJFWSA-N 226.323 3.635 30 20 BHED CC(C)CCN(C)c1ccc(Cl)cc1C#N 52859655 UIWVDAYNZUVBNH-UHFFFAOYSA-N 236.746 3.694 30 20 BHED C=C(C)COc1cccc(NC(=O)C=C(C)C)c1 66463317 RWAIHIZIBGRIKR-UHFFFAOYSA-N 245.322 3.546 30 20 BHED C#CCCCCC(=O)N[C@@H]1CCC[C@H]1CCCC 119798477 KMGCXZIBVMGHKM-HUUCEWRRSA-N 249.398 3.655 30 20 BHED CCCCCCCSc1nncn1C1CC1 125551043 MRHJYWCXBRUMRC-UHFFFAOYSA-N 239.388 3.676 30 20 BHED C=CC[C@H](C)N[C@H]1CCc2cc(C)ccc21 129652376 XVJZLBGMDJHMIK-WFASDCNBSA-N 215.340 3.537 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc(OCC(C)C)cc1 132681138 GHOZUNIVBOXWTF-KGLIPLIRSA-N 247.382 3.947 30 20 BHED C=CC[C@@H](C)NC(=O)CC[C@@H](C)c1ccccc1 133341076 JTOQKDFTAHJKDX-ZIAGYGMSSA-N 245.366 3.651 30 20 BHED C=C(Cl)CN(CC)[C@@H](C)c1cccc(O)c1 178372602 ZAFJYIQWHGTBEQ-NSHDSACASA-N 239.746 3.528 30 20 BHED C=CCC1(C(=O)N2CC[C@H](CC(C)C)C2)CCC1 188613973 DFBVULKRAHPYRZ-CQSZACIVSA-N 249.398 3.627 30 20 BHED C[C@@H]1CCC[C@H](NCc2ccc(C#N)s2)CC1 191112382 BYEKFNPQNZZKLY-NEPJUHHUSA-N 248.395 3.678 30 20 BHED CC(C)CC[C@H](C)Nc1cc(F)cc(C#N)c1 227619016 TZLFNGGOBJWUOJ-NSHDSACASA-N 234.318 3.934 30 20 BHED C[C@@H](NCC(C)(C)CCC#N)c1cccc(F)c1 229671933 KSUUXDCMMWOJIX-GFCCVEGCSA-N 248.345 3.806 30 20 BHED C#CCCCNC1CC(c2ccc(Cl)cc2)C1 230390239 YBYCXBJQNYCUGQ-UHFFFAOYSA-N 247.769 3.589 30 20 BHED CC(C)(C#N)CCCC[S@@](=O)c1ccccc1 232526255 BPIKKVICZLFFQX-QGZVFWFLSA-N 249.379 3.514 30 20 BHED C=CCCSCc1csc(CC)n1 265738589 DFHOKLNRFYZYBP-UHFFFAOYSA-N 213.371 3.515 30 20 BHED Cc1ccc([N+](=O)[O-])cc1[C@@H](C)ON=C1CCC1 272288050 PFKUHQCSZKDKFD-SNVBAGLBSA-N 248.282 3.521 30 20 BHED C#Cc1cccc(N[C@H](C)[C@H](C)CC=C)c1 309513098 XXFSFFNAHMRPID-CHWSQXEVSA-N 213.324 3.681 30 20 BHED C=CCCCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 310878453 HPRMRTSRGPIGPC-GFCCVEGCSA-N 248.326 3.602 30 20 BHED C=C(C)CN[C@@H](CCCCOC)c1ccccc1 348304693 ICLVCTWNMYAELT-INIZCTEOSA-N 247.382 3.710 30 20 BHED C=CCC(C)(C)CN[C@@H]1CCC12CCCC2 378847682 BAMOMSVVBJMCDH-CYBMUJFWSA-N 221.388 3.901 30 20 BHED C=CCCCNc1ccccc1OCCC 390554924 QBDKFRXKKHEART-UHFFFAOYSA-N 219.328 3.854 30 20 BHED C=CCC(C)(C)CNc1ccc(F)cc1C#N 393866822 PYOYSQDOZXPDKQ-UHFFFAOYSA-N 232.302 3.712 30 20 BHED CC(C)(CCC#N)CN1CCCCC(C)(C)C1 438345740 AOWBMKTXRLOHNS-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C(C)C)C(C)(C)O 449278547 KHYBMMGGXITECG-KBPBESRZSA-N 241.419 3.506 30 20 BHED C=CCC1(C(=O)N[C@H](C)[C@@H](C)CC)CCCC1 449805454 PGLMIWXUDGWAEW-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=CC[C@H](CC)N[C@@H](C)[C@@H](OC)c1ccccc1 467403057 GTAFBWZFHYLKDL-CWRNSKLLSA-N 247.382 3.707 30 20 BHED C=CCC[C@@H](C)NCC1(OC)CCC(C)CC1 475427064 FRQJMHXAIJHUBV-SHARSMKWSA-N 239.403 3.526 30 20 BHED C=C(CC)CN(C)C[C@@H](C)c1ccccc1 538003267 XAQUBJGSJCAMTJ-CQSZACIVSA-N 217.356 3.688 30 20 BHED C=C(C)CSCCOCc1ccccc1 596345965 DREXXXBGNLDGBW-UHFFFAOYSA-N 222.353 3.513 30 20 BHED CCCCCCCNCC1(F)CCCC1 616581501 WAAABGCOJNJNAI-UHFFFAOYSA-N 215.356 3.829 30 20 BHED C=CCC1(NCc2cccs2)CCCC1 657701787 BXZUKZFFJXANSK-UHFFFAOYSA-N 221.369 3.727 30 20 BHED C=C(C)CN(CC)Cc1ccc2[nH]ccc2c1 682549019 HLMXSOVXZDPCFC-UHFFFAOYSA-N 228.339 3.566 30 20 BHED C=C(Cl)CN1CCCC[C@@H]1Cc1ccccc1 727222297 JVIOZEGHAMMLEJ-OAHLLOKOSA-N 249.785 3.836 30 20 BHED CCc1ccc(/C=C/C(=O)c2cncs2)cc1 735793419 YNSNNPXJWJTNCU-BQYQJAHWSA-N 243.331 3.602 30 20 BHED COCCCC(C)=NNc1cccc(Cl)c1 759180128 OWKNZXHTQLMGEI-UHFFFAOYSA-N 240.734 3.554 30 20 BHED CCCCCCCC(=O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 761566750 ZSIPQTDPTCKOGB-RHMLRGBNSA-N 249.398 3.508 30 20 BHED C#CCCCN(C)[C@@H](C)Cc1ccc(Cl)cc1 766906045 MVXPTUKXGPRTCK-ZDUSSCGKSA-N 249.785 3.616 30 20 BHED C#CC[C@@H](Nc1cccc(C)n1)c1ccccc1 771757643 VQFMHWOCXGIWKC-OAHLLOKOSA-N 236.318 3.567 30 20 BHED C[C@H]1CCC(=NOCCC(F)(F)F)[C@@H](C)C1 777462823 NJUDKQPRZFUERS-IUCAKERBSA-N 237.265 3.768 30 20 BHED CC[C@H]1CC[C@@H](C)CC1=NOCCSC 797403401 LHFHRTNGYYLWGY-MNOVXSKESA-N 229.389 3.568 30 20 BHED COc1ccc(NN=C[C@@H]2CC[C@H](C)C2)cc1 800814741 WWKUUFXEMDLLPC-NWDGAFQWSA-N 232.327 3.529 30 20 BHED COc1cccc(O)c1/C=N/C1CCCCCC1 812390398 FHRMTUYFPRHVIR-LFIBNONCSA-N 247.338 3.543 30 20 BHED CCCC(=NOC1CCCC1)c1ccccn1 814894062 IKSLESIECPWIDS-UHFFFAOYSA-N 232.327 3.545 30 20 BHED CC(C)ON=Cc1cnc(C2CCCC2)s1 834999366 AXWMZPVJOXYTHY-UHFFFAOYSA-N 238.356 3.560 30 20 BHED CC(=NOC(C)C)c1ccc(Cl)s1 835003776 CANLYFHDEPITOH-UHFFFAOYSA-N 217.721 3.551 30 20 BHED Clc1ccc(NN=C2CCCCCC2)nc1 853438377 YZDLPAFPDKJXFK-UHFFFAOYSA-N 237.734 3.857 30 20 BHED CCCCNN=C(C)c1ccc(F)c(Cl)c1 915969547 MKAHFYHMYVNJKJ-UHFFFAOYSA-N 242.725 3.593 30 20 BHED C=CCC(CC=C)c1nnc(CC(C)C)o1 1257892594 UBLDPECDFZFZDZ-UHFFFAOYSA-N 220.316 3.504 30 20 BHED CCOc1ccc(C(C)=NOC(C)(C)C)cc1 1323131431 IRLFFIJAAWJWAJ-UHFFFAOYSA-N 235.327 3.624 30 20 BHED C[C@H]1CCCC[C@H]1CSc1ccc(C#N)cn1 1651757831 ZDZLXYUSDRBJGY-AAEUAGOBSA-N 246.379 3.872 30 20 BHED C#Cc1cccc(NCC(CC)CC)c1 19876844 KZYUEMQWDGKVCG-UHFFFAOYSA-N 201.313 3.516 30 20 BHED Cc1cccc(NCc2ccc(C#N)cc2F)c1 20034704 KBPJNVVGWMHIHC-UHFFFAOYSA-N 240.281 3.618 30 20 BHED Cc1cccc(/C=C\C(=O)c2cccc(O)c2)c1 33476771 DJZNLKBAXSJLKC-HJWRWDBZSA-N 238.286 3.597 30 20 BHED CC[C@H](C)Nc1cccc(OCCCC#N)c1 37777423 PVBJWSPKRGQVLM-LBPRGKRZSA-N 232.327 3.580 30 20 BHED CCc1cccc(Oc2nc(C)ccc2C#N)c1 43400323 JJEAGUSTODQSHM-UHFFFAOYSA-N 238.290 3.616 30 20 BHED C#Cc1cccc(NCc2cc(C)sc2C)c1 49684777 GRQMOHLXMOGPNR-UHFFFAOYSA-N 241.359 3.958 30 20 BHED CCCCCN(CCC#N)[C@H](C)CCC 67984044 BBBZKYZAGWKCKW-CYBMUJFWSA-N 210.365 3.581 30 20 BHED CCCCCCCNC(=O)[C@@H](C)CCC 104596960 UVFWJYQGDKIFCL-LBPRGKRZSA-N 213.365 3.509 30 20 BHED C/C=C/CSCc1ccc(C#N)cc1F 108414794 ZROLGBGLBINECX-NSCUHMNNSA-N 221.300 3.507 30 20 BHED Cc1ccccc1COc1cccc(F)c1C#N 115351138 SEEURYKVHBEAFD-UHFFFAOYSA-N 241.265 3.585 30 20 BHED Cc1ccoc1C(=O)/C=C/c1cc(F)ccc1F 119009231 CLGXNLAVTFUCAE-GORDUTHDSA-N 248.228 3.762 30 20 BHED C=CCC[C@H](C)N[C@H](C)COc1ccc(C)cc1 130570712 UNBADASNPXSOAJ-LSDHHAIUSA-N 247.382 3.707 30 20 BHED CC1CCC(CNCC(C)(C)CCC#N)CC1 135162163 YLQWKVNOSLPISF-UHFFFAOYSA-N 236.403 3.732 30 20 BHED C=CCC[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 135720703 JVTJJRWUIJWPSF-STQMWFEESA-N 228.339 3.564 30 20 BHED C=C[C@H](C)N[C@H](C)c1cnc2ccsc2c1 157275959 NRLDGVBYPVNNQH-VHSXEESVSA-N 232.352 3.521 30 20 BHED C=C(C)CNC1CCC2(CCCC2)CC1 161374002 FTTVBWHGDXJBGG-UHFFFAOYSA-N 207.361 3.655 30 20 BHED N#CCCCCSCc1cc(F)ccc1F 161541812 CXWVOOCGQDMZQY-UHFFFAOYSA-N 241.306 3.892 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H](C)C1CCCCC1 188447229 VBROJZOGMRBTCS-IUODEOHRSA-N 237.387 3.674 30 20 BHED C=CCC[C@@H](CCC)NCC(C)(C)OCC 188683695 LHYWRVQYGNOSLR-CYBMUJFWSA-N 227.392 3.526 30 20 BHED C=CCCCNc1cccc2ccn(C)c12 190814117 AKTICZSZEFMRTC-UHFFFAOYSA-N 214.312 3.556 30 20 BHED C=C(CN[C@@H]1CCc2ccccc21)c1ccccc1 211877818 NOGFPSUUYOMGGX-GOSISDBHSA-N 249.357 3.977 30 20 BHED CCCC[C@@H](CC)CNc1ccc(C#N)cn1 220566398 UPGJRXCLAAZEKJ-GFCCVEGCSA-N 231.343 3.582 30 20 BHED CC(C)=CCNc1ccc(C#N)c(Cl)c1 232639228 HHYKSRDMWCYNLI-UHFFFAOYSA-N 220.703 3.590 30 20 BHED N#Cc1ccnc(N[C@H](c2ccccc2)C2CC2)c1 283696353 ZNEYOEMPDURRDT-MRXNPFEDSA-N 249.317 3.516 30 20 BHED C[C@@H](CCC#N)N1CCC[C@H]1c1ccsc1 297736733 CVRSJDODSDJRCA-AAEUAGOBSA-N 234.368 3.577 30 20 BHED C=CCCC[C@H](C)N[C@@H]1CC[C@@H]1C1CC1 308876514 SJGATCXCOKRCFL-IACUBPJLSA-N 207.361 3.509 30 20 BHED C=CCCCCNCc1cccc2cccnc12 310912014 PHRGSSCMSWMRTI-UHFFFAOYSA-N 240.350 3.681 30 20 BHED CC(C)(CCC#N)CNCCC(C)(C)C1CC1 328564748 KSQZVQUKUWURSD-UHFFFAOYSA-N 236.403 3.732 30 20 BHED CC(=O)c1ccc(C#N)c(NCCC(C)(C)C)c1 347401183 QGPNSKYRVHBXKO-UHFFFAOYSA-N 244.338 3.609 30 20 BHED C=C(C)CCNCc1ccc(C2CC2)cc1 386677401 HLTKYSNXIFODCT-UHFFFAOYSA-N 215.340 3.620 30 20 BHED C[C@H](CSCCC#N)C1CCCCC1 413017421 NXUBGCKIGNNVCK-LLVKDONJSA-N 211.374 3.850 30 20 BHED C=CC(C)(C)CNC[C@@H]1C[C@@H]1c1ccccc1 449487616 ZOBNXWBTLQVHHW-LSDHHAIUSA-N 229.367 3.592 30 20 BHED C=CC[C@H](CC)NC(=O)[C@H]1CCC[C@@H]1CCC 451429591 ZLXVKNXJNYSANT-IHRRRGAJSA-N 237.387 3.674 30 20 BHED C=CCC[C@@H](CCC)NCC(C)(C)CC#N 459684345 CFAOSYQMVKDBCO-CYBMUJFWSA-N 222.376 3.651 30 20 BHED C=CC[C@H]1N(C(=O)[C@@H](C)C2CC2)CCCC1(C)C 470273890 OBHKJGXFNFCZDG-GXTWGEPZSA-N 249.398 3.626 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H](C)Cc1cccc(O)c1 482505615 YDXZKPOZNPUFCW-BFHYXJOUSA-N 247.382 3.514 30 20 BHED C=C[C@@H]1CCCCN1CCCc1ccsc1 489410239 UISYNCLDRVPNBF-CQSZACIVSA-N 235.396 3.721 30 20 BHED C=CCCN1CCC[C@@H](c2ccccc2)CC1 525328339 PAXFDPXNFZBELH-MRXNPFEDSA-N 229.367 3.832 30 20 BHED C=CCC(C)(C)c1noc(/C=C/C=C/C)n1 551498405 ZELVWEWOQSPXNE-ZIRGRKGMSA-N 218.300 3.513 30 20 BHED C=C(C)CSCCCC1CCOCC1 560024738 HLNZVOGBUMGCRN-UHFFFAOYSA-N 214.374 3.503 30 20 BHED C=CCCNCc1cc2ccccc2cc1OC 657584078 WXTFZMUVBGIMFE-UHFFFAOYSA-N 241.334 3.514 30 20 BHED C=CCC(CC=C)C(=O)N(CC)C(CC)CC 685259002 VNBNMRIQPVTLMK-UHFFFAOYSA-N 237.387 3.792 30 20 BHED CCCCCCCN[C@H](C)c1cnn(CC)c1 705840742 QIUUWPAFQXFJAS-CYBMUJFWSA-N 237.391 3.524 30 20 BHED C#CCCN1CC[C@@H](c2ccccc2)[C@@H](CC)C1 752857534 RULPPVDAFYMWLQ-DOTOQJQBSA-N 241.378 3.525 30 20 BHED CC[C@@H](C)C=NNc1ccccc1Cl 755471840 MDGMRHNQWSLIEG-SECBINFHSA-N 210.708 3.784 30 20 BHED CC(CC1CCC1)=NOCc1ccccc1 758373140 CPXMKUOVOHNNRL-UHFFFAOYSA-N 217.312 3.769 30 20 BHED C[C@@H]1CC(C)(C)CC1=NNc1ccc(C#N)cc1 766010829 OBAGMNCHRBQYJX-LLVKDONJSA-N 241.338 3.782 30 20 BHED Oc1ccccc1/C=N\CCCc1cccs1 769548122 FHMWWDVGPAECJU-PTNGSMBKSA-N 245.347 3.505 30 20 BHED CCCCC(CC)=NNCc1ccc(C#N)cc1 769815012 MOWGRHRHJOPQNZ-UHFFFAOYSA-N 243.354 3.604 30 20 BHED CC(=NN[C@H](C)C(C)(C)C)C1CCCCC1 793113821 GUTYJJVIVRJEMP-GFCCVEGCSA-N 224.392 3.967 30 20 BHED C#CCCCN1C[C@H](C)CC[C@H]1c1ccccc1 796434463 LUGIKOPQAFQGKW-WBVHZDCISA-N 241.378 3.873 30 20 BHED C=CCC(C)(C)C(=O)Oc1ccc(CC)cc1 796730656 GFWKZFANGVVXIM-UHFFFAOYSA-N 232.323 3.757 30 20 BHED CCON=C(CCC(C)(C)C)c1cscn1 807961087 BKEGEODJWKCCCD-UHFFFAOYSA-N 240.372 3.710 30 20 BHED FC(F)c1ccc(C=NOC/C=C\Cl)cc1 811672407 YDRITGHHYYGYJV-OTZBOTCWSA-N 245.656 3.727 30 20 BHED c1ccc(C[C@H]2CCCC2=NOCC2CC2)cc1 814241217 GKKUZAWZNBJVFV-OAHLLOKOSA-N 243.350 3.812 30 20 BHED Clc1cccc(NN=C2CCCC23CCC3)n1 834981952 GYOPAMCZPPQPRA-UHFFFAOYSA-N 249.745 3.857 30 20 BHED C=C[C@@H](C)ON=C(C)c1ccc(SC)cc1 844624876 OEZNDBSLPRPNCA-SNVBAGLBSA-N 235.352 3.724 30 20 BHED C=CC[C@H](CC)NC(=O)OCc1ccccc1C 859147047 ZGDAHAIWVORICD-AWEZNQCLSA-N 247.338 3.576 30 20 BHED C=CCC1(NC/C=C/Cl)CCCCC1 859745609 MVZITWOPTXZTEW-UXBLZVDNSA-N 213.752 3.608 30 20 BHED Cc1cc(/C=C2/CCCC(C)(C)C2=O)cnc1F 899364126 YFKUADLYJPHIOT-WQLSENKSSA-N 247.313 3.692 30 20 BHED C=CCCCCSCc1cc(C#N)ccn1 901792663 APAHUWQNOOKMLV-UHFFFAOYSA-N 232.352 3.543 30 20 BHED Cc1ccc(C=NNc2ccccc2F)cc1C 915958144 OSSIVVOCJJOHBD-UHFFFAOYSA-N 242.297 3.889 30 20 BHED CCCCCCC[C@H](C)CNC(=O)CCC 917872414 KWRVIXKRNKMLST-ZDUSSCGKSA-N 227.392 3.899 30 20 BHED C=C(C)COC(=O)C[C@@H](C)CC(C)(C)C 919496848 PZNNQCDKNMLVDM-LLVKDONJSA-N 212.333 3.568 30 20 BHED C/C=C/COc1ccc(CCC(C)=NOC)cc1 920370927 CAJDDIXFNDTMMD-NQLCHBHISA-N 247.338 3.596 30 20 BHED N#CC1(CCCCN[C@@H]2CCC[C@@H]3C[C@@H]32)CCC1 930703817 KKYPRKZLEOPCSY-QLFBSQMISA-N 246.398 3.629 30 20 BHED C=C[C@@H](CC)CC(=O)N[C@@H](C)c1ccsc1 935851923 YPLHFPOBBVAKJK-QWRGUYRKSA-N 237.368 3.528 30 20 BHED N#Cc1ccnc(/C=C\c2ccccc2Cl)c1 1116868929 TYLRFDHGISYAGH-WAYWQWQTSA-N 240.693 3.777 30 20 BHED CC(C)(C)C#CC(=O)NC(C)(C)C1CCCCC1 1117804453 KMVYPOYIMBIKBJ-UHFFFAOYSA-N 249.398 3.511 30 20 BHED Cc1ccc(Oc2cccc(C#N)n2)cc1Cl 1186706272 QLBNBIVQYYUTRY-UHFFFAOYSA-N 244.681 3.707 30 20 BHED C=C(C)CCC(=O)N(C1CCCCC1)C1CC1 1336303941 QRBJKBKXVTZXOU-UHFFFAOYSA-N 235.371 3.666 30 20 BHED C#Cc1cccc(N[C@@H](C)[C@@H](C)CC)c1 21791883 KPYLHGBJAOETIM-RYUDHWBXSA-N 201.313 3.514 30 20 BHED N#Cc1cccc(N[C@H]2CCc3ccccc3C2)c1 37203225 SVYZILYJJNBILF-KRWDZBQOSA-N 248.329 3.528 30 20 BHED C[C@H](C#N)CN[C@H]1CCCC[C@@H]1C1CCCCC1 54181130 VWTNMBFUVFIYHP-BMFZPTHFSA-N 248.414 3.875 30 20 BHED Cc1ccc(OCCC(C)(C)C#N)c(Cl)c1 87596161 MFKGHISXYRRIOW-UHFFFAOYSA-N 237.730 3.967 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 116907849 NBBFEZFFMOTVGW-VHSXEESVSA-N 225.282 3.580 30 20 BHED C=C[C@H](C)NCc1ccc(-c2ccc(F)cc2)o1 123184713 SQCJMUCWPFEKLF-NSHDSACASA-N 245.297 3.750 30 20 BHED CCCCCCCCN[C@@H]1CCO[C@@H](C)C1 126795802 VOJLCXGMIIPACQ-UONOGXRCSA-N 227.392 3.504 30 20 BHED C=C[C@H](C)NCc1csc2ccccc12 130477654 GWNKPVFYDFULEC-JTQLQIEISA-N 217.337 3.565 30 20 BHED C=CCCN(C)[C@H](C)c1cc(F)ccc1F 132566724 SVZJRAVKBYPKQM-SNVBAGLBSA-N 225.282 3.534 30 20 BHED C[C@H](NCc1ccc(C#N)s1)C1CCCCC1 135693556 PCMNBDYORMDXKI-NSHDSACASA-N 248.395 3.678 30 20 BHED C#CCCCOc1cc(C)ccc1C(C)C 161022962 UATMNGHUXXHQQY-UHFFFAOYSA-N 216.324 3.911 30 20 BHED CC#CCN[C@@H](C)c1cc2ccccc2s1 163662285 DBMUAMLOYGFGPZ-NSHDSACASA-N 229.348 3.575 30 20 BHED C=CCCN[C@H](C)c1cccc(OC(C)C)c1 179668881 NWNSILCJZGOCPK-CYBMUJFWSA-N 233.355 3.701 30 20 BHED C=C(C)CN(C)Cc1c(O)ccc2ccccc12 182629235 VMYSCQORCRKSIO-UHFFFAOYSA-N 241.334 3.553 30 20 BHED CC(C)=CCC[C@H](C)CCNC[C@H](C)C#N 193312644 ZXLCRGUKVHJGRD-UONOGXRCSA-N 222.376 3.508 30 20 BHED C#CCCCN[C@@H]1CCCC[C@@H]1c1ccccc1 224313039 WHHUXUUDPZUPMS-IAGOWNOFSA-N 241.378 3.716 30 20 BHED CC(C)c1ccc([C@@H](C)N(C)C[C@H](C)C#N)cc1 260084876 QGNBIOOPCWIUMR-ZIAGYGMSSA-N 244.382 3.962 30 20 BHED c1ccc2c(c1)CCC[C@@H]2ON=C1CCC1 271716035 ILLIKMQYMLTGRV-AWEZNQCLSA-N 215.296 3.621 30 20 BHED CCCC[C@@H](C)C(=O)Nc1ccc(CC#N)cc1 282460643 HEMYTSWWELMNKQ-GFCCVEGCSA-N 244.338 3.517 30 20 BHED C=C(C)CN1CCC[C@@H](C(C)(C)C)CC1 303630984 FSPVTCBFALCGKE-CYBMUJFWSA-N 209.377 3.711 30 20 BHED C[C@@H]1CCCC[C@@]1(C)NCCCC(C)(C)C#N 308697797 GRCAUDFVWRJUEG-UKRRQHHQSA-N 236.403 3.875 30 20 BHED CC[C@@H]1C[C@H](C)CN1CCCCC(C)(C)C#N 310044593 DAFAFSNIKJJRND-UONOGXRCSA-N 236.403 3.827 30 20 BHED C[C@H](NCCCCC#N)c1cccc(C2CC2)c1 340234218 HINNKGZVZJIFTE-ZDUSSCGKSA-N 242.366 3.908 30 20 BHED C=C(CC)CN[C@H](CC)c1cc(F)ccc1F 341977334 BCPJXCFXSWBFEI-CQSZACIVSA-N 239.309 3.972 30 20 BHED CC[C@H](C)CCC(=O)Nc1cc(C#N)ccc1C 352102248 KNKTZSCQMUOCEB-NSHDSACASA-N 244.338 3.632 30 20 BHED C/C=C\c1ccc(NC(=O)[C@@](C)(C#N)CC)cc1 360328542 ZYVHHNHCNBTTBO-ZDTYVGOBSA-N 242.322 3.598 30 20 BHED C=CCCCCC[C@@H](C)NCc1nccs1 390679279 YZFTWVGDQQVNTA-GFCCVEGCSA-N 238.400 3.758 30 20 BHED C=C(CC)CN[C@H](C)c1ccc(C)cc1C 393772469 UWRGQBQGADZXGR-CQSZACIVSA-N 217.356 3.920 30 20 BHED CC[C@H](C)CN[C@H]1CCCc2cc(C#N)ccc21 418143932 JOGGPHSCQORRKF-LRDDRELGSA-N 242.366 3.571 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccncc1Cl 421862601 XIMAOPUYTCVSMQ-MNOVXSKESA-N 238.762 3.740 30 20 BHED C[C@H](c1cccc(C#N)c1)N(C)[C@@H]1C=CCCC1 425530047 DETYLLHFGJXFMW-CZUORRHYSA-N 240.350 3.660 30 20 BHED CC/C=C\CN[C@H](CC)c1ccc(C#N)cc1 453329155 UORQRGFQYMMVEE-IYKSTZQJSA-N 228.339 3.565 30 20 BHED C=CCNc1cccc(COC(C)(C)C)c1C 531537438 ZXIFCMIIWFHJSH-UHFFFAOYSA-N 233.355 3.908 30 20 BHED Cc1cn(Cc2ccc(F)cc2Cl)cc1C#N 531578497 AOMCKMLMIQJOES-UHFFFAOYSA-N 248.688 3.509 30 20 BHED C=C(CC)CSCCOc1cccc(C#N)c1 539095050 NMAKKBDAXXXAMU-UHFFFAOYSA-N 247.363 3.636 30 20 BHED C=CCCCc1nc([C@H]2CCCC[C@H]2C)no1 547106279 VMFWBSGXIYWBLP-NEPJUHHUSA-N 234.343 3.872 30 20 BHED C[C@@]1(C#N)CCCN(CCC2=CCCCC2)C1 590715466 GJALMMYAJXMXAM-HNNXBMFYSA-N 232.371 3.503 30 20 BHED CCN(Cc1cccs1)C[C@@H](C)CCC#N 602434982 YJMRCSYBVCYLNN-LBPRGKRZSA-N 236.384 3.510 30 20 BHED C[C@@H](CCC#N)CN(C)[C@H](C)c1cccs1 602444248 ZVPQNARTFNEGDU-NWDGAFQWSA-N 236.384 3.681 30 20 BHED C=CCC[C@H](NCC1=CCCC1)c1ccco1 658290881 HKZVODCBQRHEPF-AWEZNQCLSA-N 231.339 3.987 30 20 BHED C=CCCOC(=O)c1cc2cc(Cl)ccc2[nH]1 729072802 WXYJFYAWQZVGQV-UHFFFAOYSA-N 249.697 3.554 30 20 BHED C#CCNc1ccccc1Oc1cccc(F)c1 749284731 RGNVSLZQPFZRBP-UHFFFAOYSA-N 241.265 3.663 30 20 BHED CC(CC1CC1)=NNc1ccc(F)cc1F 756814763 CXUMUIQCKVPUHI-UHFFFAOYSA-N 224.254 3.553 30 20 BHED CCC[C@@H](C)c1noc(C2(C#N)CCCCC2)n1 761832096 DYUKPRYBJMNAOY-LLVKDONJSA-N 247.342 3.699 30 20 BHED C#CCCCNC1(c2ccc(Cl)cc2)CCC1 766917824 OOXZAHJDVRGFHB-UHFFFAOYSA-N 247.769 3.722 30 20 BHED C[C@@H]1CCC[C@H](C=Nn2cnc3ccccc32)C1 768354163 FUBAHYCMJBKFFT-OLZOCXBDSA-N 241.338 3.697 30 20 BHED CCc1cccnc1C(C)=NOC1CCCCC1 777460156 VLFVFBYEIPDIBO-UHFFFAOYSA-N 246.354 3.717 30 20 BHED CC(C)CON=C/C=C\c1ccc(F)c(F)c1 794922535 KKABGDZUDHJBNR-LQQBLGBGSA-N 239.265 3.636 30 20 BHED C(=NOCCC1CC1)[C@@H]1C[C@@H]1c1ccccc1 814245213 LGPXQNWOEJKYFL-LSDHHAIUSA-N 229.323 3.593 30 20 BHED C=C[C@H](CC)CC(=O)Nc1cscc1Cl 828953764 XQXWCSIPWWRHCY-MRVPVSSYSA-N 243.759 3.942 30 20 BHED C[C@H](C#N)OCCSCC1(C)CCCCC1 829875842 CAELXOREBVYDBX-GFCCVEGCSA-N 241.400 3.619 30 20 BHED CCC1(COC(=O)CC2(C#N)CCCCC2)CC1 851048748 JFRLFILFRKQNLW-UHFFFAOYSA-N 249.354 3.584 30 20 BHED CC(CCc1ccsc1)=NOCC1CCC1 853440127 ZXDFWXVTUXYEHA-UHFFFAOYSA-N 237.368 3.873 30 20 BHED C=CC(C)(C)Cc1nc([C@H](C)SCC)no1 896143167 KIRSOFSKSJBSHL-VIFPVBQESA-N 240.372 3.638 30 20 BHED C=C1CC(c2noc(-c3ccoc3C3CC3)n2)C1 896877596 NQNMUMOQVOUONU-UHFFFAOYSA-N 242.278 3.641 30 20 BHED CC(C)(CCC#N)CNC1CC2(CCCC2)C1 926426518 HHHKWHFBKONYJA-UHFFFAOYSA-N 234.387 3.629 30 20 BHED CC[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)[C@@H]1C 1459983281 LDCYVHZZYAKWFK-UMVBOHGHSA-N 242.366 3.740 30 20 BHED C=C(C)CN(CC)C(=O)[C@@H](CC)c1ccccc1 57157951 BMPYWMRQDITNIT-HNNXBMFYSA-N 245.366 3.605 30 20 BHED Cc1ccc([C@H](NCCCCC#N)C2CC2)cc1 91319602 AOGTVPWBNRWTEP-INIZCTEOSA-N 242.366 3.730 30 20 BHED CN(CCCCC#N)C1CCC(C)(C)CC1 94859592 UFTRMPODOPKEDK-UHFFFAOYSA-N 222.376 3.581 30 20 BHED C[C@@H](N[C@H](C)c1ccoc1)c1ccc(C#N)cc1 94868167 RIFUFALGCHKJJB-VXGBXAGGSA-N 240.306 3.563 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cc(Cl)ccc1O 134931958 UNIPUWWTDQEGDK-NXEZZACHSA-N 239.746 3.661 30 20 BHED CC(C)(C#N)CCN1CCC[C@H]1c1ccccc1 157535025 UUXWKPRBBKAENV-HNNXBMFYSA-N 242.366 3.763 30 20 BHED C[C@@H]1CCC[C@@H](NCC(C)(C)CCC#N)[C@@H]1C 229670256 USCDIINTVDHXAL-MGPQQGTHSA-N 236.403 3.731 30 20 BHED C[C@H]1[C@H](C)CCC[C@H]1Nc1cccc(F)c1C#N 252184297 QNZLUYNZDGFJPC-UHIISALHSA-N 246.329 3.934 30 20 BHED CCc1ccc(N=Cc2ccccc2O)cc1 254380886 OLUGVEIBZJDJFG-UHFFFAOYSA-N 225.291 3.705 30 20 BHED C=CCCC(=O)Nc1ccccc1OCCCC 263962086 DYNCSQZXYIMQRA-UHFFFAOYSA-N 247.338 3.770 30 20 BHED C=CCSCCN[C@@H]1C[C@H](C)c2ccccc21 310195690 QZHQNYIVXQVJSB-SWLSCSKDSA-N 247.407 3.744 30 20 BHED OC(=Nc1cn[nH]c1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 329031816 XIUSSSQZFQGJAG-WCFLWFBJSA-N 247.342 3.604 30 20 BHED C=C[C@@H](C)NC(=O)Nc1cccc2ccsc12 337319874 HTZJUCXKNYPKNA-SECBINFHSA-N 246.335 3.597 30 20 BHED C=CCN(CCc1ccco1)Cc1ccsc1 352973856 DHSDPDOQPYUXIX-UHFFFAOYSA-N 247.363 3.572 30 20 BHED C=CCC[C@H](CC)NC1CCC(F)(F)CC1 381538066 GKRSIEXWNIMJNM-NSHDSACASA-N 231.330 3.899 30 20 BHED C=CC[C@H](CC)NCc1ccc2cc[nH]c2c1 393742913 DAYZYBBNKIXPRJ-AWEZNQCLSA-N 228.339 3.612 30 20 BHED CC[C@H](c1ccc(F)cc1)N(C)CC(C)(C)C#N 433321573 YFAZFXZNCGSKIB-CQSZACIVSA-N 248.345 3.758 30 20 BHED C=CCC1(C(=O)N2CCCC[C@H]2C)CCCCC1 448569494 QKIGDQBFOCINHW-CQSZACIVSA-N 249.398 3.914 30 20 BHED C=CCC1(C(=O)N2CC[C@H](C)[C@H](C)C2)CCCC1 450326685 ZBVWKKJEMCSADW-UONOGXRCSA-N 249.398 3.627 30 20 BHED C=CCCC[C@@H](C)Nc1ncc(C(F)F)cn1 450422220 GOCDRFMDICIJPZ-SECBINFHSA-N 241.285 3.571 30 20 BHED C[C@@H]1CCN(CC2(C#N)CCC2)c2ccccc21 450513012 UETULUIMFRLQMM-CYBMUJFWSA-N 240.350 3.694 30 20 BHED C=CCC[C@@H](CC)N[C@H](CO)CCC(C)(C)C 475678505 BXKPOGYUVCOICO-KGLIPLIRSA-N 241.419 3.508 30 20 BHED C=C(C)CN[C@@H](CC)C(C)(C)c1ccccc1 537219111 HPHNIHRSNODYNV-HNNXBMFYSA-N 231.383 3.909 30 20 BHED C=CC1CCN(c2ncc(C(C)C)s2)CC1 542505261 AIJPRNAJDUGUQK-UHFFFAOYSA-N 236.384 3.669 30 20 BHED C=CCCCN1CC[C@H](Cc2ccccc2)C1 607739969 RNPZMVNMEBOWSD-MRXNPFEDSA-N 229.367 3.517 30 20 BHED C=CCCN(C)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 613842889 YRNJMLNTINAZLR-SHTZXODSSA-N 249.398 3.627 30 20 BHED CCCC[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 618804708 LQPXMNULYPZNBV-WBMJQRKESA-N 242.366 3.714 30 20 BHED CCN(Cc1ccc(C)cc1)CC1(CC#N)CC1 699495497 IFGLTXMIRLPLAE-UHFFFAOYSA-N 242.366 3.511 30 20 BHED CC1CCC(=NNCCCc2ccccc2)CC1 729147956 KWTRDLFQYVZORE-UHFFFAOYSA-N 244.382 3.775 30 20 BHED O=C1/C(=C\c2ccsc2)Oc2ccc(F)cc21 749745958 IUFWDQCECHLBPI-LFYBBSHMSA-N 246.262 3.503 30 20 BHED CCCCCCCOC(=O)C[C@@H](C)SC 757411090 VWCYRSFWRINKPC-LLVKDONJSA-N 232.389 3.642 30 20 BHED COCCCC(C)=NNc1ccccc1Cl 759180148 WMDGWMGTWBCSCM-UHFFFAOYSA-N 240.734 3.554 30 20 BHED CC(CC1CC1)=NN[C@@H]1CCCCC1(C)C 773126562 UTMWATDMYIIUPJ-CYBMUJFWSA-N 222.376 3.721 30 20 BHED N#Cc1cccc(NC[C@H]2CCc3ccccc32)c1 779734963 CZTSFNBMNWJYSM-OAHLLOKOSA-N 248.329 3.700 30 20 BHED CC[C@@H]1C[C@@H](C)CCC1=NNc1ccnc(F)c1 781130179 PLTJFNJPLXBFJQ-WDEREUQCSA-N 249.333 3.835 30 20 BHED C#CCC1(C(=O)N(CCC)CCC)CCCCC1 788430114 KFWFJFFVSGOWGC-UHFFFAOYSA-N 249.398 3.609 30 20 BHED CC[C@H]1CC[C@H](C)CC1=NOCCSC 797403402 LHFHRTNGYYLWGY-QWRGUYRKSA-N 229.389 3.568 30 20 BHED Cl/C=C/CON=C[C@@H]1C[C@@H]1c1ccccc1 811667678 AQNHNIBWBYQWAV-WWTZQEEXSA-N 235.714 3.545 30 20 BHED CCC(C=NNc1ccccn1)(CC)CC 814731625 DSLKIAAPYVXFQZ-UHFFFAOYSA-N 219.332 3.696 30 20 BHED CCCC(=NOC[C@@H](C)CC)c1ccccn1 814939339 NLTKKROULYHESX-LBPRGKRZSA-N 234.343 3.649 30 20 BHED COCc1cccc(N[C@@H](C)CC(C)(C)C#N)c1 829178148 BZCHBPOLEUARFP-LBPRGKRZSA-N 246.354 3.573 30 20 BHED CCC(=NOC/C=C\Cl)c1ccsc1 834978753 IXICXEVRQALXQQ-HBRQTTMKSA-N 229.732 3.631 30 20 BHED C=CC[C@H]1CCCCC1=NO[C@H]1CCCCO1 853325766 OYKPVDHBRHYWBO-JSGCOSHPSA-N 237.343 3.652 30 20 BHED CC(C)(C)SCSc1cccnc1C#N 871673279 DURIRRGNVZTQDC-UHFFFAOYSA-N 238.381 3.535 30 20 BHED CC[C@@H]1CCC[C@@H]1CN[C@H](C)CC(C)(C)C#N 1181846269 YWUJZDBXOFDFQD-MGPQQGTHSA-N 236.403 3.731 30 20 BHED CC(C)C[C@@H]1CCCCN1C[C@@H](C)CCC#N 1621155043 MLRIYSQZMKKYGN-GJZGRUSLSA-N 236.403 3.827 30 20 BHED CC(C)[C@@H]1CCCN([C@@H](C#N)c2ccccc2)C1 1642751070 NIWHEQOZKQANJE-CVEARBPZSA-N 242.366 3.619 30 20 BHED C#CC[C@@H](C(=O)c1ccccc1)c1ccccc1 3602174 XMRCGIXNEFRKLH-MRXNPFEDSA-N 234.298 3.676 30 20 BHED Cc1cc(C)cc(OCc2ccc(C#N)cc2)c1 11834239 ZWIKHNLPCWSGNX-UHFFFAOYSA-N 237.302 3.754 30 20 BHED Cc1ccc(C(=O)/C=C/c2ccc(F)cc2F)o1 48391497 HHNVDRBPTRNEHD-GQCTYLIASA-N 248.228 3.762 30 20 BHED C=C(C)CSc1ncc(-c2ccccc2)n1C 48397767 BHFGEEWQKIMYHQ-UHFFFAOYSA-N 244.363 3.755 30 20 BHED C=C(C)CNc1ccc(Br)cc1C 49537330 OULRZWPIIGUOOE-UHFFFAOYSA-N 240.144 3.746 30 20 BHED C[C@@H](C1CC1)N(CCCC#N)Cc1ccccc1 52928093 XOYKVYGLHCMWDL-AWEZNQCLSA-N 242.366 3.591 30 20 BHED C=CCN(CCCCC)Cc1cccc(C#N)c1 78775013 LSACBXPNEXAFCE-UHFFFAOYSA-N 242.366 3.736 30 20 BHED Cc1cccc(Cl)c1NCC1(CC#N)CC1 85388673 QJSRCRKYQDXAJG-UHFFFAOYSA-N 234.730 3.754 30 20 BHED COc1ccc(SCCC(C)(C)C#N)cc1 87324189 AHUXJLPEEIRNFT-UHFFFAOYSA-N 235.352 3.727 30 20 BHED CCCCCCCS[C@H](C)CC(=O)OC 114310841 AOISRLDXTXRFSV-LLVKDONJSA-N 232.389 3.642 30 20 BHED CC[C@@H](C)[C@@H](C)Nc1c(F)cc(C#N)cc1F 133597708 OPLDNPLYPZWNNF-RKDXNWHRSA-N 238.281 3.683 30 20 BHED CC[C@H]1CCC[C@@H]1Nc1ccc(C#N)cc1 135506429 BDGZZJWQIOVEDW-JSGCOSHPSA-N 214.312 3.549 30 20 BHED C=C[C@H](C)N[C@H](CC)c1ccc(Cl)cc1 136204567 GTDLZRPOCAZNSL-GXFFZTMASA-N 223.747 3.955 30 20 BHED C=C[C@H](C)N[C@H](CC)c1cccc(Cl)c1 157215619 FRKYIQBKMZKHQB-GXFFZTMASA-N 223.747 3.955 30 20 BHED C#CCCCNC(=O)[C@@H](CC)CC1CCCCC1 172947219 NFJIWEOVDFFKHN-HNNXBMFYSA-N 249.398 3.513 30 20 BHED C=CC[C@@H](C)NC(=O)C[C@@H](C)CCCCC 173537558 QGRUMBGDZUANCS-QWHCGFSZSA-N 225.376 3.674 30 20 BHED C=CCC[C@H](NCCOC(C)C)c1ccccc1 180035854 WTVOWBZDNZYZJP-INIZCTEOSA-N 247.382 3.709 30 20 BHED O=C(/C=C/c1cc(Cl)cs1)c1ccncc1 195332571 VRKFVEYYERQYDU-OWOJBTEDSA-N 249.722 3.693 30 20 BHED C[C@H](Nc1cc(F)cc(C#N)c1)C1CCCC1 227619305 LYXDAPAGXHWBRQ-JTQLQIEISA-N 232.302 3.688 30 20 BHED C#CCCCCC(=O)Oc1ccccc1SC 297672250 HDTSCKYWOZECPA-UHFFFAOYSA-N 248.347 3.508 30 20 BHED C=CCCC1(C(=O)N2CCC[C@](C)(CC)C2)CC1 356247425 MXYTVWWPZFIIIT-HNNXBMFYSA-N 249.398 3.772 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(CC)s1 387308864 BICSZXDDDXTTJN-NSHDSACASA-N 223.385 3.927 30 20 BHED C=CCC[C@H](C)NCCc1ccc2[nH]ccc2c1 442810610 NLMUMDAFVAZZLP-ZDUSSCGKSA-N 242.366 3.655 30 20 BHED C=CCC[C@H](NCC(=C)CC)c1ccco1 453366215 PGEJSTJUFVZXFL-ZDUSSCGKSA-N 219.328 3.843 30 20 BHED CC[C@]1(C)CCCN(c2ccc(C#N)cc2F)C1 462936952 VQMLAGLSRVLGOW-OAHLLOKOSA-N 246.329 3.714 30 20 BHED C=CCN1CC[C@@H](c2ccccc2)[C@H](CC)C1 472232069 RSVIGLRSMSXFLF-GDBMZVCRSA-N 229.367 3.688 30 20 BHED C=CCC1(C(=O)N2CCC[C@H](C(C)C)C2)CCC1 480507236 WSPRZMYJUYTXIV-AWEZNQCLSA-N 249.398 3.627 30 20 BHED C=CCCCCCN1CCC[C@@](C)(OC)CC1 483010217 FUEDGJHQDFRPJV-OAHLLOKOSA-N 239.403 3.624 30 20 BHED C=CCCCN1CCCC[C@@H](SCC)C1 522777044 PKZVBKOARHVLSS-CYBMUJFWSA-N 227.417 3.560 30 20 BHED C=C(C)CN1[C@H](C)Cc2cc(OC)ccc2[C@H]1C 542919803 MEPYFKBJNSAYKP-CHWSQXEVSA-N 245.366 3.579 30 20 BHED CCC[C@@H](CCc1ccccc1)NC[C@H](C)C#N 545192270 VRBFBBXTAAOQAT-ZBFHGGJFSA-N 244.382 3.537 30 20 BHED C=CCCCOC(=O)c1sccc1C1CC1 735531653 BQQWLXIKCQZABD-UHFFFAOYSA-N 236.336 3.749 30 20 BHED CC(=NNc1ccc(F)cc1F)C1CCC1 747624364 MIKXVOKNYFAVTP-UHFFFAOYSA-N 224.254 3.553 30 20 BHED CC1(C)CCCC1=NNc1ccc(C#N)cc1 749857809 HTPTVPPLBRBYGC-UHFFFAOYSA-N 227.311 3.536 30 20 BHED C=CCCO[C@H](C)c1nc([C@@H](C)CCC)no1 761851781 PFSZBCGYTOFGDA-WDEREUQCSA-N 238.331 3.627 30 20 BHED C#CC[C@@H](N[C@@H](C)CC1CC1)c1ccccc1 773112927 BSFAXMPOFSJEAH-XJKSGUPXSA-N 227.351 3.529 30 20 BHED CCCCCCCN1CCC[C@H]1[C@@H]1CCCO1 792929288 ZEODKFKZNVLLKC-GJZGRUSLSA-N 239.403 3.600 30 20 BHED C[C@@]1(C=NOC2CCCCC2)CCCS1 793040213 DRJXQQMCEMWHCC-LBPRGKRZSA-N 227.373 3.607 30 20 BHED CC[C@H](C)CON=C1CCC(C(F)F)CC1 793146249 PEYRCVDELBJEKH-RGURZIINSA-N 233.302 3.860 30 20 BHED C=C(Cl)CN1C[C@@H](C)C[C@@H]1c1ccccc1 796621674 UGPYRHBGGYHXPC-SMDDNHRTSA-N 235.758 3.822 30 20 BHED COCC[C@H]1CCCC1=NOC1CCCCC1 799886086 SUNOMXOHPXDLBS-GFCCVEGCSA-N 239.359 3.528 30 20 BHED CCC(CC)CNN=C1CC[C@@H]1C1CCC1 814906439 VHCHOSXBAZJRDY-CYBMUJFWSA-N 222.376 3.578 30 20 BHED CC[C@@H](C=NOC1CCC1)c1ccccc1 814936527 XJAQILOXQCDSOB-LBPRGKRZSA-N 217.312 3.735 30 20 BHED C=CCCCCCCCNC(=O)c1cocc1C 861753957 AWSLJTNUNFECJA-UHFFFAOYSA-N 249.354 3.844 30 20 BHED Cc1cccc(NN=C2CC(C)(C)C[C@@H]2C)n1 863159768 DEALHDNJZKOQJL-JTQLQIEISA-N 231.343 3.614 30 20 BHED CCCCCCCC(C)=NNc1ncccn1 912974469 XPIJEZQPVOFEER-UHFFFAOYSA-N 234.347 3.625 30 20 BHED CC[C@@H](C#N)Sc1ccc(C)c(C)c1 43557555 AIFVTYHYITVHNE-NSHDSACASA-N 205.326 3.698 30 20 BHED Cc1ccsc1/C=C/C(=O)c1ccccc1O 44603089 LJLPUNPQNQMVKV-VOTSOKGWSA-N 244.315 3.658 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc(CC)cc1 161670436 DLFGMJGZSDWATA-OLZOCXBDSA-N 217.356 3.864 30 20 BHED Cc1cc(C#N)ccc1CN[C@@H]1CCCC1(C)C 165346118 NURIPZBPAGRDLU-OAHLLOKOSA-N 242.366 3.535 30 20 BHED C=CCCCC(=O)Nc1cc(C)cc(C)c1 175111989 WXXROLQOWYHTKK-UHFFFAOYSA-N 217.312 3.598 30 20 BHED C=C(C)CN[C@@H](CC)c1ccccc1OCC 179754819 WOMCAKVHKVEEAO-AWEZNQCLSA-N 233.355 3.702 30 20 BHED C=CC[C@H](C)N[C@H](Cc1ccccc1)C1CC1 180946141 OCPBGIYPPDGXRB-XJKSGUPXSA-N 229.367 3.562 30 20 BHED CC#CCNc1ccccc1S[C@H](C)CC#N 182306562 KDFHDJVYRLVJSL-GFCCVEGCSA-N 244.363 3.516 30 20 BHED C[C@H](NCCCCC#N)c1csc(Cl)c1 191262881 VPFRCSKZAZROJX-VIFPVBQESA-N 242.775 3.746 30 20 BHED CC(C)(C#N)CCCCn1cnc2ccccc21 232528502 CIYYXRPACNZFMR-UHFFFAOYSA-N 241.338 3.756 30 20 BHED Cc1ccccc1Oc1nccc(C#N)c1Cl 235776237 WCRPKYARSGHUSQ-UHFFFAOYSA-N 244.681 3.707 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1sccc1OC 309725905 XZALZPUXCBCQOH-GHMZBOCLSA-N 239.384 3.762 30 20 BHED CCC1(CNc2ccc(C#N)c(C)n2)CCCC1 311138440 KTQHSTUVUBNTSH-UHFFFAOYSA-N 243.354 3.644 30 20 BHED C[C@@H](CNc1cccc(CC#N)c1)C(C)(C)C 313474792 GIRPUWVOWANUAM-LBPRGKRZSA-N 230.355 3.847 30 20 BHED C=CCCN(C1CC1)[C@H]1CCc2ccccc21 338545037 GIBKTDRUZROIQV-INIZCTEOSA-N 227.351 3.714 30 20 BHED CCCC1CCC(N(CCC#N)C(C)C)CC1 350750839 ZLNOYGJCMHKFOK-UHFFFAOYSA-N 236.403 3.969 30 20 BHED CCN(C[C@H](C)C#N)C[C@H](C)C1CCCCC1 384076487 WNTAMHQXHJIJKL-KGLIPLIRSA-N 236.403 3.684 30 20 BHED C=C(C)CCN[C@H](c1ccccc1)C(F)(F)F 387419954 NAPZVWSRUIFJKU-GFCCVEGCSA-N 243.272 3.846 30 20 BHED C=CCCCCC[C@@H](C)NC1CCSCC1 390524658 GIIJJBDQPJONPE-CYBMUJFWSA-N 241.444 3.997 30 20 BHED CCCCCCCCN[C@H]1CC[C@@H](C#N)C1 390680965 ZSOLOXAQRGGVMS-KGLIPLIRSA-N 222.376 3.629 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)Cc1ccc(O)cc1 398132409 WHJCUAOGGQQCDN-ZIAGYGMSSA-N 247.382 3.658 30 20 BHED CCCOc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 442863082 CBMCJSPYKRIJKZ-GXTWGEPZSA-N 244.338 3.580 30 20 BHED CCC[C@H](NCCC(C)(C)C#N)C(C)(C)C 451441069 RBIJXIUBEFGGED-LBPRGKRZSA-N 224.392 3.731 30 20 BHED C=CCC1(CNC(=O)[C@H](C)C(C)C)CCCC1 456481822 CRMRXQYYIKHYFH-CYBMUJFWSA-N 237.387 3.531 30 20 BHED C=CC[C@H](CC)N[C@H](C)[C@H](OC)c1ccccc1 467403058 GTAFBWZFHYLKDL-KBMXLJTQSA-N 247.382 3.707 30 20 BHED C=C(C)CCN(Cc1ccccc1)CC(F)F 509671932 HFZGJXCBQLGCRY-UHFFFAOYSA-N 239.309 3.720 30 20 BHED C=C(C)CCc1noc(C[C@@H]2CCC[C@@H]2C)n1 558388256 LUSIKFGXADVVRZ-RYUDHWBXSA-N 234.343 3.557 30 20 BHED C=CCN(Cc1cccs1)[C@@H]1C=CCCC1 590400343 CPYYPWGDLOLTAE-CYBMUJFWSA-N 233.380 3.845 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccsc1 669861463 IBHCYUFUXDEUTL-MFKMUULPSA-N 237.368 3.528 30 20 BHED C=CC[C@H](CC)Nc1ncnc2ccc(F)cc12 685038680 LSGWBKJGRAGASS-NSHDSACASA-N 245.301 3.536 30 20 BHED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1ccsc1 695786516 HVJWHJIYEUGUGE-WDEREUQCSA-N 236.384 3.727 30 20 BHED C#C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)C(C)(C)C 705219444 PMEURPPTAWEWDX-LNSITVRQSA-N 245.366 3.541 30 20 BHED C=CCCC[C@@H](C)Nc1cc(C(F)F)ncn1 724630447 XVDDZBKXYCXULZ-SECBINFHSA-N 241.285 3.571 30 20 BHED Cc1cc(C=NNc2ccc(F)cc2)ccc1F 729140580 KEFFNPGPTTVJGV-UHFFFAOYSA-N 246.260 3.719 30 20 BHED CCC(CC)NN=C/C=C\c1ccc(F)cc1 747750106 HSZXNTYUSODOFC-HSTLZJKPSA-N 234.318 3.603 30 20 BHED CC(CC1CCOCC1)=NOC1CCCCC1 777457583 XCZCCVLROGVJMV-UHFFFAOYSA-N 239.359 3.528 30 20 BHED CC(CCC1CC1)=NOCCC(F)(F)F 777462862 PABWKAZUQAIWJK-UHFFFAOYSA-N 223.238 3.522 30 20 BHED C#CCCCCCC(=O)N1C[C@H](C)CCC[C@H]1C 779958324 APLWQIBPLSOHBI-HUUCEWRRSA-N 249.398 3.607 30 20 BHED CCSCCC=NNc1ccc(F)cc1F 781115219 JSGKGUBYHPPKOM-UHFFFAOYSA-N 244.310 3.506 30 20 BHED CC(C)(C)CCCOC(=O)c1ccc(C#N)cc1 781133036 VDAYEPIWDSWPMW-UHFFFAOYSA-N 245.322 3.541 30 20 BHED C=CCCN(C)Cc1c(O)ccc2ccccc12 786102488 ZQCULDYYSAZZGJ-UHFFFAOYSA-N 241.334 3.553 30 20 BHED CCCC(CCC)=NNc1ncccc1C 790193604 JMSUOAQFWHIWKU-UHFFFAOYSA-N 219.332 3.758 30 20 BHED CC[C@H]1C[C@@H](C)CCC1=NNc1ncccc1F 794992766 DBAHICRIWIREEX-QWRGUYRKSA-N 249.333 3.835 30 20 BHED CCCC[C@H](C)C(=O)OCCCC(C)(C)C#N 800274870 XDAVIIJMEAZLFO-LBPRGKRZSA-N 239.359 3.686 30 20 BHED C#CC[C@H](N[C@H]1CC[C@@H]1C1CC1)c1ccccc1 806147969 BQIUQPRUJLPFPM-IKGGRYGDSA-N 239.362 3.529 30 20 BHED CC(=NNc1ccccc1F)c1ccc(C)o1 812458876 NDBITTMPRSCTLR-UHFFFAOYSA-N 232.258 3.563 30 20 BHED C#CCCCSCC[C@@H]1CC1(Cl)Cl 818154590 MOPSBTDIQOXMCZ-SECBINFHSA-N 237.195 3.717 30 20 BHED C=C[C@H](C)ON=C[C@H](C)c1cc(F)cc(F)c1 844619565 AWXWABVCJVTGEP-UWVGGRQHSA-N 239.265 3.645 30 20 BHED COc1ccc(C#N)cc1N[C@@H](C)CC(C)(C)C 1205347931 UMNSTZMUIXZRGG-NSHDSACASA-N 246.354 3.803 30 20 BHED Cc1ccc(Sc2ccc(C#N)c(C)n2)s1 1655571013 UARPKKRPFNMUBR-UHFFFAOYSA-N 246.360 3.783 30 20 BHED N#Cc1ccc(CNCCC2CCCCC2)cc1 37739855 YSKGNCVUNVJEAH-UHFFFAOYSA-N 242.366 3.618 30 20 BHED C[C@H]1CCCC[C@H]1N(C)c1cccc(F)c1C#N 82190676 OXQAACZUVUHMEB-SMDDNHRTSA-N 246.329 3.712 30 20 BHED CC(C)(C)CCOc1ccc(C#N)cc1F 90349028 CBYDZPRGUNIOTB-UHFFFAOYSA-N 221.275 3.512 30 20 BHED N#Cc1c(F)cccc1Sc1ccccc1O 93410571 QGIOOUKKVIWAAD-UHFFFAOYSA-N 245.278 3.554 30 20 BHED CC#CCCN(C)[C@H](C)c1cc2ccccc2o1 155015137 CGRNWDBHKGOBEU-CYBMUJFWSA-N 241.334 3.839 30 20 BHED CN(CC#Cc1cccc(Cl)c1)C1CCCC1 178674083 QQMFJRVXHUGXJO-UHFFFAOYSA-N 247.769 3.566 30 20 BHED CCCCCSCCCSCC#N 180735423 DTCPDEFWJBTOIL-UHFFFAOYSA-N 217.403 3.557 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cc(F)c(F)c(F)c1 180953029 KZKFRGRPOUZMGU-DTWKUNHWSA-N 243.272 3.719 30 20 BHED C=CCSCCNCc1c(C)cc(C)cc1C 222062797 YSOOEIMXMTXHQH-UHFFFAOYSA-N 249.423 3.621 30 20 BHED C=CCC[C@@H](N[C@H]1CC[C@H](C)CC1)C1CC1 252729121 FEXOLHUEPVVGJD-BPLDGKMQSA-N 221.388 3.900 30 20 BHED Fc1cccc(Cl)c1CON=C1CCC1 265432148 FZMWUULGZBNZHF-UHFFFAOYSA-N 227.666 3.536 30 20 BHED CCCN(CCCCC(C)(C)C#N)CC(F)F 310044562 AOMWNXIUXMDMFY-UHFFFAOYSA-N 246.345 3.684 30 20 BHED C=CCCCCCCNCc1ccc(C#N)s1 383679378 QJJZUNNLVRXMDT-UHFFFAOYSA-N 248.395 3.846 30 20 BHED C=CCCCCN[C@H]1CCCC12CCC2 394735403 NJAIMRSSHOQOIA-ZDUSSCGKSA-N 207.361 3.655 30 20 BHED C[C@@H](CC(C)(C)C)NCc1ccc(C#N)c(F)c1 404044504 GTYAZNJBDJDLLQ-NSHDSACASA-N 248.345 3.612 30 20 BHED CCC[C@H](NCC1(C#N)CCC1)C1CCCC1 418143121 OXQJMAMGOADNMT-AWEZNQCLSA-N 234.387 3.629 30 20 BHED C=C(C)C(C)(C)C(=O)NCC1(CC)CCCC1 424723609 CSWNZHXIEUDXLQ-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCC(C)(C)C(=O)N[C@H](C)CCCC(C)C 429913917 LINYYMIWXYAJEP-CYBMUJFWSA-N 239.403 3.920 30 20 BHED C=CCCN1CC[C@@H](c2ccc(CC)cc2)C1 433048319 WLOMSTFGPQPRER-MRXNPFEDSA-N 229.367 3.614 30 20 BHED C=CCCCOc1ccc(OCC=C)cc1 462666964 XYZIGVHCXQCYMT-UHFFFAOYSA-N 218.296 3.596 30 20 BHED C=C[C@@H](C)NC(=O)[C@@H](CC)CC1CCCCC1 465143116 FCGVQFAMONTGSG-OCCSQVGLSA-N 237.387 3.674 30 20 BHED C=CCCC(=O)N(CC(C)C)C(CC)CC 481230932 LEYPDQDADKKMTK-UHFFFAOYSA-N 225.376 3.626 30 20 BHED CC(C)[C@@H](C)SCc1cccc(F)c1C#N 488266307 SCLYKSCNEQOJHQ-SNVBAGLBSA-N 237.343 3.975 30 20 BHED C=C[C@@H]1CCCCN1C(=O)CC1CCC(C)CC1 488823704 MCFFPSISSMKVCW-YMAMQOFZSA-N 249.398 3.770 30 20 BHED C=CCOc1cccc(CN(CC)CC(=C)C)c1 505863512 DQIMAADIOQZMCL-UHFFFAOYSA-N 245.366 3.649 30 20 BHED C=C(C)CCN[C@H](C)[C@@H](C)c1ccc(OC)cc1 508968611 YIVNXZPHTQBDTR-ZIAGYGMSSA-N 247.382 3.743 30 20 BHED N#Cc1cnc(NC2CCCCCC2)c(Cl)c1 524023303 RAEDPFJEZKOOOM-UHFFFAOYSA-N 249.745 3.741 30 20 BHED C=CCN(C1CC1)[C@@H](C)CCc1cccc(F)c1 542693779 WQBIWYAECRVKJY-ZDUSSCGKSA-N 247.357 3.797 30 20 BHED CC[C@@H](CC#N)NC[C@@H](C)CC1CCCCC1 545875644 NHBFCVDYVVONCC-ZFWWWQNUSA-N 236.403 3.875 30 20 BHED C=CCC(C)(C)C(=O)NCC(C)(C)CC(C)C 560219151 QDUHZAXHPQWHNT-UHFFFAOYSA-N 239.403 3.777 30 20 BHED C=CCCCNCc1cc2c(C)c(C)ccc2[nH]1 576784380 FQAQIQIQQRJOCQ-UHFFFAOYSA-N 242.366 3.841 30 20 BHED Cc1ccc(NCCC#N)cc1OCCC(C)C 584716662 KVSSDGZKRQDDOJ-UHFFFAOYSA-N 246.354 3.746 30 20 BHED N#CC1(c2ccc(-c3ccncc3)s2)CCC1 592576740 DGMMCGWROHRIEB-UHFFFAOYSA-N 240.331 3.755 30 20 BHED C=CCC1(CNC[C@H](C)CCC#N)CCCC1 602684777 ULRUXLNBAAHPKR-CQSZACIVSA-N 234.387 3.652 30 20 BHED C=CC[C@H]1CCCN(C(=O)C[C@@H]2C=CCCC2)C1 617780224 QTMGMMXMKQCWIH-CABCVRRESA-N 247.382 3.548 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H]1CCC[C@@H](C)C1 620858352 DYLXBJKGCCUTTA-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C=CC[C@@H](C(=O)N[C@@H](C)CCC)c1ccccc1 681641328 FATVIAAPLVVRLK-DZGCQCFKSA-N 245.366 3.651 30 20 BHED C[C@@H](CC(C)(C)C#N)NC[C@H]1CCCC1(C)C 695857509 DHDMXCJPAFNHMC-QWHCGFSZSA-N 236.403 3.731 30 20 BHED CCCCCCCN[C@H]1CCO[C@@H](CC)C1 705951202 FLAAOKISAYPMAI-KBPBESRZSA-N 227.392 3.504 30 20 BHED C=C(C)COC(=O)C[C@H](C)c1ccccc1C 734905652 HKKGMPODXAHPLE-ZDUSSCGKSA-N 232.323 3.608 30 20 BHED CC(C)=CCC/C(C)=C/C=NNc1cccnn1 735973439 JYERQAZZSFHCPX-KFUNNIOOSA-N 244.342 3.567 30 20 BHED C#Cc1cccc(NC(=O)[C@@H](CCC)C(C)C)c1 763531318 PDNNKZLVMSLHMO-HNNXBMFYSA-N 243.350 3.679 30 20 BHED CC(C)[C@@H]1CCCCC1=NNC1CCCC1 764689935 IPWZHTQCMVSOCY-ZDUSSCGKSA-N 222.376 3.721 30 20 BHED Cc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)s1 765928910 ORYYCWSZFTZJTL-YNEHKIRRSA-N 248.395 3.790 30 20 BHED Fc1ccc2c(c1)[C@H](ON=C1CCC1)CCC2 775682571 ZCADJRXBUJTHTO-CQSZACIVSA-N 233.286 3.760 30 20 BHED CCCCCCCCNCc1ccc(F)nc1 778150641 AGQTZULEIQYWMO-UHFFFAOYSA-N 238.350 3.671 30 20 BHED Clc1ccsc1C=NNC1CCCCC1 782281722 FALRSVUXTWWMEI-UHFFFAOYSA-N 242.775 3.658 30 20 BHED CC[C@@H]1CCCC1=NN[C@@H]1CCCC1(C)C 782288871 SQFGWXYSJMALGT-DGCLKSJQSA-N 222.376 3.721 30 20 BHED C=CCc1ccccc1OCc1ccc(F)cn1 786739727 XZOKKHSPYLBALX-UHFFFAOYSA-N 243.281 3.528 30 20 BHED CC[C@H](C)CON=C(C)c1ccc2c(c1)COC2 793145017 GYUVBYMBKNVTMD-NSHDSACASA-N 247.338 3.504 30 20 BHED CC[C@H](C)NN=C1CC[C@H](c2ccccc2)C1 814913535 PFKIGVPIOJRMJS-JSGCOSHPSA-N 230.355 3.698 30 20 BHED CO[C@H](C)C(C)=NNc1ccc(C(C)C)cc1 835017772 AJUMNCIUEJBBCP-GFCCVEGCSA-N 234.343 3.633 30 20 BHED CC(C)(C#N)CCCOC(=O)[C@]1(C)CC=CCC1 838181669 BSOWOFZRQMCPLW-OAHLLOKOSA-N 249.354 3.606 30 20 BHED CC(C)(C#N)CCOC(=O)C1=CCC(C)(C)CC1 838341530 HEMLHSIWKMJWBA-UHFFFAOYSA-N 249.354 3.606 30 20 BHED C=CCC[C@H](C)OC(=O)/C(C)=C/c1ccco1 847672725 ZUSNJDTXEBBLMV-IIANPFDCSA-N 234.295 3.581 30 20 BHED Cc1cccc(NN=C[C@H]2CCC[C@@H](C)C2)n1 863159817 FROJKAGUXAYZJU-YPMHNXCESA-N 231.343 3.614 30 20 BHED C[C@@H](CN1CCCC(C)(C)[C@H]1C#N)C(C)(C)C 1194101436 LFVLEAKJAVIVFO-QWHCGFSZSA-N 236.403 3.683 30 20 BHED C=C[C@H]1CCCCN1CCCCC1(C#N)CCC1 1334222989 BYPGKXONYHLYFY-HNNXBMFYSA-N 246.398 3.891 30 20 BHED C=C(C)CCC(=O)Nc1cc(C)cc(OC)c1C 1339100095 JLJWTDSWTCTKCV-UHFFFAOYSA-N 247.338 3.607 30 20 BHED CCc1ccc(C)nc1N[C@@H](C)CC(C)(C)C#N 1474626838 STQWCGIXZDOYHE-LBPRGKRZSA-N 245.370 3.693 30 20 BHED C=C(Cl)CN1CC[C@H](C2CCCCC2)C1 1654155648 SGTKGMUFYKHUKS-ZDUSSCGKSA-N 227.779 3.641 30 20 BHED C=CC[C@@H](N)c1ccc(OC2CCCC2)cc1 1690154806 CRNNWANCAWWXJC-OAHLLOKOSA-N 231.339 3.584 30 20 BHED N#Cc1ccc(CNc2ccc3c(c2)CCC3)cc1 19913855 PUVVKLFQGPHLRG-UHFFFAOYSA-N 248.329 3.659 30 20 BHED CC[C@H](Nc1ncccc1C#N)c1ccccc1 50197621 ULDNPCHPHIDQIV-AWEZNQCLSA-N 237.306 3.516 30 20 BHED CC(C)Nc1nc(-c2cccc(C#N)c2)cs1 70092469 KVSHCJLJCIZLTF-UHFFFAOYSA-N 243.335 3.502 30 20 BHED C[C@H]1CCCC[C@@H]1CNc1cccc(F)c1C#N 93396625 QROKCYUBZNAHSI-NWDGAFQWSA-N 246.329 3.936 30 20 BHED CN(CCC(C)(C)C#N)C1CCC(C)(C)CC1 94859559 OWIYYXSAWXSUSW-UHFFFAOYSA-N 236.403 3.827 30 20 BHED C=CCC(CC=C)C(=O)Nc1ccc(F)cc1 120871566 QIKHZQBBVHOPHK-UHFFFAOYSA-N 233.286 3.533 30 20 BHED C=C(Cl)CN[C@@H]1CC(C)(C)Cc2occc21 129793820 BHQHFCGOORHSBN-LLVKDONJSA-N 239.746 3.635 30 20 BHED CC[C@@H](C)C[C@H](C)NCc1ccc(C#N)s1 135502110 ZCVYWHZCHWZJLS-MNOVXSKESA-N 236.384 3.534 30 20 BHED CC(C)Cc1ccc([C@H](C)NCCCC#N)cc1 159201547 FWJZSNDXCFMREW-AWEZNQCLSA-N 244.382 3.839 30 20 BHED C=C(C)CN[C@H](CC(C)C)c1ccccc1 160763164 HPUTXZQWPBALDU-OAHLLOKOSA-N 217.356 3.940 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 163312632 YKTLBKHJKPRCQI-RYUDHWBXSA-N 248.326 3.518 30 20 BHED C=CCCCC(=O)Oc1ccc(CC)cc1OC 179312948 WVSXJTUFBJWQNK-UHFFFAOYSA-N 248.322 3.519 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CCC[C@H](CC)CC1 188425768 TYYHCLAKUNDUGD-ZFWWWQNUSA-N 237.387 3.627 30 20 BHED Cc1ccoc1C(=O)/C=C\c1ccc(F)cc1F 255539751 CANCNTNXONPLTR-HYXAFXHYSA-N 248.228 3.762 30 20 BHED C[C@H](N[C@H]1CCC[C@H]1C)c1ccc(C#N)c(F)c1 271982103 XEBLFEKYAODMQL-ZETOZRRWSA-N 246.329 3.537 30 20 BHED N#Cc1ccc(F)cc1CSCCCCF 284917745 AKGYBKRFVDHBKS-UHFFFAOYSA-N 241.306 3.680 30 20 BHED C[C@@H](CCC#N)N1CC(C)(C)[C@@H]1c1cccs1 298552791 OIPYNECQTVSJKH-AAEUAGOBSA-N 248.395 3.823 30 20 BHED C=CCC[C@H](NCC1CCC1)c1ccco1 309712864 XSXUCBAOHSFUJD-ZDUSSCGKSA-N 219.328 3.677 30 20 BHED N#CCCCCN[C@@H]1CCc2ccc(Cl)cc21 343102759 MWGOHYUVNYWONE-CQSZACIVSA-N 248.757 3.611 30 20 BHED C=C1CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 353285400 HLINVYXBVMIYGV-JSGCOSHPSA-N 231.339 3.555 30 20 BHED CCCCCCCC(=O)N1CC[C@H](C2CC2)C1 371226707 ANHFZCMMOIVTHO-AWEZNQCLSA-N 237.387 3.605 30 20 BHED CCCCCCC[C@@H](C)NCCC1(O)CCC1 397638739 QSPUEPIHDALMHJ-CQSZACIVSA-N 241.419 3.630 30 20 BHED C=C1CCN(Cc2ccc(Cl)cc2F)CC1 438112856 CMZOEVZSQQJNMV-UHFFFAOYSA-N 239.721 3.631 30 20 BHED C=CCC1(CN[C@H](C)COC(C)C)CCCC1 449603543 GWSLKGACVQTRGK-CQSZACIVSA-N 239.403 3.526 30 20 BHED CC#CCCN(C)Cc1csc2ccccc12 462329370 WQQVPRWBOPHYGW-UHFFFAOYSA-N 243.375 3.747 30 20 BHED C=C[C@@H]1CCCCN1Cc1cc(C)ccc1OC 489436464 NANGNBJHVDNNJM-OAHLLOKOSA-N 245.366 3.544 30 20 BHED C=CC[C@@H](C)NCc1c(F)ccc(F)c1Cl 527660860 JLQIPRWOCGEIRK-MRVPVSSYSA-N 245.700 3.672 30 20 BHED C=CCCCCCN[C@@H](C)c1cnccc1C 555541159 BZZLFKRCAIXGIQ-AWEZNQCLSA-N 232.371 3.787 30 20 BHED C=C(C)c1cc(CC#N)ccc1OC(C)C 592989565 SIQCPXNTGYOXTC-UHFFFAOYSA-N 215.296 3.573 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1NCC1(SC)CC1 595054424 NWVPPCGMLZJYQC-OLZOCXBDSA-N 239.428 3.607 30 20 BHED C=CCOCCSc1ccc(Cl)c(F)c1 651202250 VHZQUNXKRKRHDR-UHFFFAOYSA-N 246.734 3.774 30 20 BHED C=CC[C@@H](C)[C@H](C)NCC(=C)c1ccccc1 675783390 HENMWPPEZNXODF-HIFRSBDPSA-N 229.367 3.890 30 20 BHED C=CC[C@@H](C)NC(=S)Nc1cccc(C)c1C 734986048 JLUGSAUTNXXXGH-LLVKDONJSA-N 248.395 3.554 30 20 BHED C=CC[C@@H](C)NC(=S)Nc1ccc(C)c(C)c1 734988066 VRKBEDYVXOKQPZ-GFCCVEGCSA-N 248.395 3.554 30 20 BHED C#CCCCCCC(=O)N1CCCC[C@@H]1CCC 754598809 ZAFLUPJRSUBBSD-HNNXBMFYSA-N 249.398 3.751 30 20 BHED CC(CCC(C)C)=NNc1nccnc1C(C)C 773094954 UHEPCSIBSOMCDG-UHFFFAOYSA-N 248.374 3.824 30 20 BHED CCCC(CC)=NN[C@@H]1CCCC1(C)C 782288337 PIMMJBQXAVERBM-GFCCVEGCSA-N 210.365 3.721 30 20 BHED C(=NNC1CCCCC1)c1cc2ccccc2o1 786043712 SYMNMGWCSMWFGF-UHFFFAOYSA-N 242.322 3.689 30 20 BHED C=CCC(C)(C)C(=O)Oc1ccc(Cl)cc1 796711671 IVDRTZALNPLCPP-UHFFFAOYSA-N 238.714 3.848 30 20 BHED Cc1cccc(F)c1NN=C1CCC12CCC2 799885413 GTVPADFWGJKEHH-UHFFFAOYSA-N 232.302 3.866 30 20 BHED CC[C@@H]1CCC1=NOCc1ccc(F)cc1 807982620 HSOXLGKYTHZIJM-LLVKDONJSA-N 221.275 3.518 30 20 BHED CCCCCCN[C@H]1CCc2ccc(C#N)cc21 810207268 HAJARFFEFVFUFI-INIZCTEOSA-N 242.366 3.715 30 20 BHED Cc1ccccc1C(=NOC/C=C/Cl)C1CC1 811667877 FYUZFDVGWPXLPC-IJEHECDGSA-N 249.741 3.878 30 20 BHED CC(CCCC(C)C)=NN[C@H](C)c1ccncc1 819817063 UXDQUQDLZNFEQP-CQSZACIVSA-N 247.386 3.934 30 20 BHED C#CCCCCN[C@@H](C)[C@@H]1C[C@H]1c1cccs1 841748139 HLRNENFQNNPFEF-MELADBBJSA-N 247.407 3.633 30 20 BHED CC(=NN[C@@H](C)c1ccccc1)c1cccs1 920386396 ZEPQBTHGNRNPGV-NSHDSACASA-N 244.363 3.823 30 20 BHED CCC1(NCc2ccc(C#N)c(C)c2)CCCC1 1560479456 NIRQOZMPKDHLQT-UHFFFAOYSA-N 242.366 3.679 30 20 BHED C=C(Cl)CNC(C)(C)c1cccc(C)c1 1642469334 MMURZDLMOMFTDN-UHFFFAOYSA-N 223.747 3.572 30 20 BHED N#Cc1cccc(CNc2ccc(Cl)cc2)c1 19921065 FJCLKPMSEGJHMX-UHFFFAOYSA-N 242.709 3.824 30 20 BHED C=C(C)CNc1ccc(Br)c(F)c1 83826522 XLSCNOKRTGGGHQ-UHFFFAOYSA-N 244.107 3.576 30 20 BHED CC(C)(C#N)CCN1CCC[C@H]2CCCC[C@@H]21 87595196 SPFQLPXQRMZHEK-KGLIPLIRSA-N 234.387 3.581 30 20 BHED C#CCCCCN[C@H](C)c1ccc(Cl)s1 130414806 KKZFXELEIUDHPW-SNVBAGLBSA-N 241.787 3.856 30 20 BHED CC[C@H](c1ccc(F)cc1)N(CC)C[C@@H](C)C#N 155200184 ITTNEQNEVRGMJI-SWLSCSKDSA-N 248.345 3.758 30 20 BHED C=CCC[C@H](NCCCCC#N)c1ccccc1 159974542 LYKVOJOLCSTKSH-INIZCTEOSA-N 242.366 3.977 30 20 BHED N#CCN[C@@H](c1cccc(Cl)c1)C1CCCC1 181034306 OSQFUISTPBEBIV-CQSZACIVSA-N 248.757 3.684 30 20 BHED CSc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1 185723217 SWWLSBMYTMUUNT-NEPJUHHUSA-N 246.379 3.903 30 20 BHED C[C@@H]1CCCCN1Cc1ccc(Cl)cc1C#N 186562058 PFQSUTUZGCRTAB-LLVKDONJSA-N 248.757 3.586 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cccc(C)c1C 189753365 YNACNSSRYIEXMX-HNNXBMFYSA-N 231.339 3.844 30 20 BHED C=CC[C@H](C)N[C@H](C)[C@H](C)c1ccc(OC)cc1 246483144 RKLPIJMMTDRTBM-MELADBBJSA-N 247.382 3.741 30 20 BHED Cc1ccoc1C(=O)/C=C\c1c(F)cccc1F 255111569 PCTIJQPZIZCUMX-WAYWQWQTSA-N 248.228 3.762 30 20 BHED CCOc1cc(C)ccc1NCCC(C)(C)C#N 288771525 UYRZQIXWLFZNDV-UHFFFAOYSA-N 246.354 3.746 30 20 BHED C[C@H]1C[C@H](C)CN(c2c(Cl)cccc2C#N)C1 303415573 BEXGWOIKKDAMQS-QWRGUYRKSA-N 248.757 3.694 30 20 BHED C[C@@H](Sc1ccncc1)c1cccc(C#N)c1 334607563 GCHBSHJDFLNGEU-LLVKDONJSA-N 240.331 3.807 30 20 BHED C=C1CCN(Cc2sccc2Cl)CC1 338543745 DDYKRUJCXDDXAK-UHFFFAOYSA-N 227.760 3.554 30 20 BHED C=C[C@H](C)NC(=O)c1ccc(C2=CCCC2)cc1 355044155 VGVAHTJPAOYDES-LBPRGKRZSA-N 241.334 3.558 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)CC(F)(F)F 389923326 UAEHONZNLLHQDJ-LPEHRKFASA-N 223.282 3.518 30 20 BHED C=CCCCCN[C@H](C)c1ccc(N(C)C)cc1 394045467 IMGRHJFEOBAPLK-CQSZACIVSA-N 246.398 3.760 30 20 BHED C=CC[C@@H](C)[C@H](C)Nc1ccc2c(c1)CCN2 423213363 JWLSYVODLGOMJI-NEPJUHHUSA-N 230.355 3.667 30 20 BHED N#C[C@H]1CCC[C@@H](N[C@@H]2CCC[C@H](C3CC3)C2)C1 424342194 FKNRPNMEIFOVAZ-ARLBYUKCSA-N 246.398 3.627 30 20 BHED CCc1ccccc1CCSCC1(C#N)CC1 435881830 CTOKGGSYXGHRLO-UHFFFAOYSA-N 245.391 3.828 30 20 BHED CC1(C)CCCCN(c2ccc(C#N)cc2)C1 445665975 SCWJJNNFGVZGFM-UHFFFAOYSA-N 228.339 3.575 30 20 BHED C=CC(C)(C)CN[C@@H](c1cccnc1)C1CCC1 453304191 FIIRIGJWXHFEPK-OAHLLOKOSA-N 244.382 3.725 30 20 BHED CC#CCCOc1ccc2[nH]c(C)c(C)c2c1 478828826 UPHMKQUDHHMFGP-UHFFFAOYSA-N 227.307 3.577 30 20 BHED C=CCSCCCc1cccc(F)c1 486054263 VUZDZCIMIFIDJA-UHFFFAOYSA-N 210.317 3.678 30 20 BHED CC(C)CC(CC(C)C)Nc1ncccc1C#N 505615227 WEFNREXMJVWIDD-UHFFFAOYSA-N 245.370 3.826 30 20 BHED C=CC[C@H](C)N[C@@H]1CC[C@H](Cc2ccccc2)C1 525869493 NRLPVDLTLDAXRN-USXIJHARSA-N 243.394 3.952 30 20 BHED C=CCCCN(C)C[C@@H](C)c1ccccc1 605150376 PSMOIIWLMIHUFF-CQSZACIVSA-N 217.356 3.688 30 20 BHED C=CCC1(NCc2ccc(Cl)o2)CCCC1 657701777 BRRUKCODTFJCOX-UHFFFAOYSA-N 239.746 3.912 30 20 BHED C=CCCNC(=O)Nc1ccccc1CCC=C 667029260 VXUQVBMXIFLHGH-UHFFFAOYSA-N 244.338 3.503 30 20 BHED C=C(C)CN(C)C(=O)CCCCC(C)(C)C 672232866 SNTDTJJDFASWIN-UHFFFAOYSA-N 225.376 3.627 30 20 BHED c1ccc(CNN=C2CCC[C@H](C3CC3)C2)cc1 737423154 QXAWZBQSRVGBJS-HNNXBMFYSA-N 242.366 3.732 30 20 BHED CCC(CC)NN=Cc1cc2cc(F)ccc2o1 741763470 OOBMPGGSWJHTFD-UHFFFAOYSA-N 248.301 3.684 30 20 BHED CCCCCCCC(=O)N1CCC(C)(C)C1 742876786 BSDPKKBJVGUPAR-UHFFFAOYSA-N 225.376 3.605 30 20 BHED CCCCCC=NNc1nc2ccccc2[nH]1 755490329 NJPGFVPDANYOAR-UHFFFAOYSA-N 230.315 3.541 30 20 BHED CCCCCC=NNc1oc(C(C)C)nc1C#N 755673393 HRIBEDNEIAFBDI-UHFFFAOYSA-N 248.330 3.648 30 20 BHED C=CCC(CC=C)C(=O)Oc1cccc(C)c1C 758508637 OWPHXWJFYHBISI-UHFFFAOYSA-N 244.334 3.977 30 20 BHED C#CCCCN(CC)[C@H](CC)Cc1ccccc1 766906007 OROYMRUHAQUBHZ-QGZVFWFLSA-N 243.394 3.743 30 20 BHED CC(C)(C#N)CCCCOC(=O)c1ccccc1 768393403 QSLDXEZQHQUINP-UHFFFAOYSA-N 245.322 3.563 30 20 BHED C[C@H]1C[C@H]1C=NNc1c(F)cccc1Cl 769830248 XKHCPKNYVZZWCT-YUMQZZPRSA-N 226.682 3.533 30 20 BHED C=CCCOC(=O)[C@H](CCC=C)c1ccccc1 778554221 KKFSMCITTOKMJD-OAHLLOKOSA-N 244.334 3.856 30 20 BHED CC(C)=CCCC(C)=NNc1ccnc(F)c1 781131828 CUVJVXOXAMAIJI-UHFFFAOYSA-N 235.306 3.755 30 20 BHED CC[C@H](C)NN=C(C)c1oc2ccccc2c1C 790188949 LYWTXPBCYSDUAR-JTQLQIEISA-N 244.338 3.853 30 20 BHED Cl/C=C/CON=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 811671299 CPEAQSSKTGQBBG-QGSSXNKGSA-N 239.746 3.568 30 20 BHED CC(C)CCC=NNCc1cccc(Cl)c1 814867520 IJTAPZIQFUSYNE-UHFFFAOYSA-N 238.762 3.852 30 20 BHED Clc1cccc(CNN=C2CC[C@H]2C2CC2)c1 814867889 PWKNQXYTVNWTRA-ZDUSSCGKSA-N 248.757 3.606 30 20 BHED Cc1sccc1C=NN[C@H]1CCCC1(C)C 814917754 QGWJYVJQZSMIAX-LBPRGKRZSA-N 236.384 3.559 30 20 BHED CCC(=NOC/C=C\Cl)C1CCCC1 834978409 GAGCPMMNWPQOOS-DBIHJRTBSA-N 215.724 3.712 30 20 BHED CC(CCCCC#N)=NNc1ccccc1 841604560 QLMUTTJUKFCXIG-UHFFFAOYSA-N 215.300 3.558 30 20 BHED C=CCCCCCCNC(=O)C1CC2(CCC2)C1 843594959 MSWBAQJOJURRTM-UHFFFAOYSA-N 249.398 3.819 30 20 BHED C=CCCC[C@@H](C)NCc1ccccc1NC 902470432 XFIYCBAVUOUPEZ-CYBMUJFWSA-N 232.371 3.563 30 20 BHED COc1ccc(O)c(/C=N\C2CCCCCC2)c1 920943276 UHNIEDSAZTZJRM-WJDWOHSUSA-N 247.338 3.543 30 20 BHED C=C[C@H](CC)CC(=O)N1CCC[C@H]1C1CCCC1 930396036 MKNRFMQHWVQQTK-HIFRSBDPSA-N 249.398 3.770 30 20 BHED C=C(Cl)CN[C@@H]1CCCC[C@H]1CCC 1193649737 WFJKXAJZZQSCLG-VXGBXAGGSA-N 215.768 3.687 30 20 BHED C=C(C)CCNC(=O)C[C@H](C)CCCCC 1324820283 OSRKVAQHGBFBCV-CYBMUJFWSA-N 225.376 3.675 30 20 BHED Cc1ccccc1[C@@H](N[C@@H](C)CCC#N)C1CC1 1331330059 NTIUJOKRFJRNIX-BBRMVZONSA-N 242.366 3.728 30 20 BHED COc1cccc(/C=C/C(=O)C2CCCCC2)c1 1764154 CIPPDJREBYVXKS-ZHACJKMWSA-N 244.334 3.858 30 20 BHED CC[C@H](CC#N)N[C@H](C)c1ccc2c(c1)CCC2 54183275 QURSDKRXZSPWNQ-MLGOLLRUSA-N 242.366 3.518 30 20 BHED C[C@@H](Nc1ccc(C#N)cc1F)c1ccsc1 61364674 GIDLPVMCRUBRLF-SECBINFHSA-N 246.310 3.932 30 20 BHED C=CCCOc1ccc2ccccc2c1C=O 71275603 DQUUYMYEBLAXIS-UHFFFAOYSA-N 226.275 3.607 30 20 BHED CCc1ccc(NCc2cc(C#N)cs2)cc1 93492458 MDSOBWFQWYGHKZ-UHFFFAOYSA-N 242.347 3.794 30 20 BHED CC(C)N(CCCCC#N)c1ccccc1 119215117 BJMMXJSHLPYNPM-UHFFFAOYSA-N 216.328 3.595 30 20 BHED C=CCC[C@H](C)Nc1ccc(OCC)cc1 126887587 OCZIXOMDFUXIEP-LBPRGKRZSA-N 219.328 3.852 30 20 BHED C=C[C@H](C)NC1CCC(C(C)(C)C)CC1 157232588 ANKNKXITUXJLBJ-HIFPTAJRSA-N 209.377 3.755 30 20 BHED C=CC1CCN(C(=O)[C@@H]2CCCC(C)(C)C2)CC1 178904348 RFYSPMLPFFKSEB-CQSZACIVSA-N 249.398 3.627 30 20 BHED C=CCCN[C@H](C)c1c(F)cccc1Cl 181740308 UVUCAKLGHYMLPO-SECBINFHSA-N 227.710 3.706 30 20 BHED C=CCCC[C@@H](C)NC(=O)C=C(CC)CC 182640304 YNSQOIDUXVABOG-GFCCVEGCSA-N 223.360 3.594 30 20 BHED CC#CCCCC(=O)N[C@H](CC)c1cccs1 185242874 PHNUECHKFJCYOS-GFCCVEGCSA-N 249.379 3.509 30 20 BHED CC#CCCCC(=O)N1CCC[C@@H](C)[C@H]1CCC 185925646 UAKJLLVVGMQTBW-HUUCEWRRSA-N 249.398 3.607 30 20 BHED CC[C@H](C)CSCc1ccc(C#N)cc1F 229046269 HRTPDBVOMGLJOD-JTQLQIEISA-N 237.343 3.977 30 20 BHED C=CCCCCCOc1ccc(C#N)cc1OC 234801820 WPCYPDXNRKPUMD-UHFFFAOYSA-N 245.322 3.692 30 20 BHED C[C@@H](S[C@@H]1CCCOC1)c1cccc(C#N)c1 335880546 ZCWJWZLLEQNCIH-BXUZGUMPSA-N 247.363 3.531 30 20 BHED C=CCCC(=O)Nc1ccc(C(F)(F)F)cc1 338623959 IUFWTARPZKWHSE-UHFFFAOYSA-N 243.228 3.610 30 20 BHED C=CCOCCCSc1cccc(F)c1 356035394 AVESZWORBNABPN-UHFFFAOYSA-N 226.316 3.511 30 20 BHED C=CC[C@@H](CC)NC(=O)C[C@@H](C)CC(C)C 410118727 BSQIFDPXWKJBHY-QWHCGFSZSA-N 225.376 3.530 30 20 BHED C=CCCC(=O)NCc1ccc(C2CCC2)cc1 427219649 ZKIMPIHXWMLQMJ-UHFFFAOYSA-N 243.350 3.537 30 20 BHED C[C@H](SC1CCC1)c1ccc(C#N)cc1 450986317 OLPYBOOZSJGRPP-JTQLQIEISA-N 217.337 3.905 30 20 BHED C=CCC(C)(C)C(=O)NCC1(CC(C)C)CC1 560263713 GQULVMDQFSMSCY-UHFFFAOYSA-N 237.387 3.531 30 20 BHED C=C(C)CCN(C)[C@H]1CCCc2ccccc21 560466245 NVFLKOOUTDNLRN-INIZCTEOSA-N 229.367 3.962 30 20 BHED C=CCCCCSCCOCC1CC1 582536847 SZNJWNMDNDKKRN-UHFFFAOYSA-N 214.374 3.503 30 20 BHED C=CCC1(c2nc([C@@H]3C[C@@H]3C)no2)CCCC1 582946728 RKJZGLYQIYKFGV-WDEREUQCSA-N 232.327 3.581 30 20 BHED C=CCN(C(=O)c1ccc(C)c(F)c1)C(C)(C)C 622943052 MHINUCVDXCYHAW-UHFFFAOYSA-N 249.329 3.561 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1c(C)oc(C)c1C 678881633 QVMAHUTWPLXMGB-SNVBAGLBSA-N 249.354 3.679 30 20 BHED C=CC[C@@H](C)C(C)=NOCc1ccccc1 727777152 KKGVWRIXYDZYBC-GFCCVEGCSA-N 217.312 3.791 30 20 BHED C=C(C)CNc1ccccc1SC[C@H](C)C#N 731028920 UYGSTDWQVUGDEI-GFCCVEGCSA-N 246.379 3.926 30 20 BHED C=CCN(CC=C)C(=O)[C@@H](C)CCCCCC 741895432 CBTYVBRMPMHMCK-AWEZNQCLSA-N 237.387 3.794 30 20 BHED CCC/C=C\C(=O)O[C@H](C)c1ccc(C#N)cc1 749063490 ZLCLSQUZVZZVOH-FOQNGQEVSA-N 243.306 3.519 30 20 BHED CCCC[C@@H]1CCCC1=NO[C@@H]1CCCCO1 755818827 UIGWJCZCZOLCRY-TZMCWYRMSA-N 239.359 3.876 30 20 BHED CC[C@@H](C)C(C)=NNc1cc(F)cc(OC)c1 759209230 CMSKVXXWBDYADO-SECBINFHSA-N 238.306 3.668 30 20 BHED C#CCCCCCC(=O)Nc1ccc(C)cc1F 779715774 PBMCFLOLGLXHSK-UHFFFAOYSA-N 247.313 3.656 30 20 BHED CC(C)(C)CCNN=Cc1cc2ccccc2[nH]1 788439540 UZZNIZJGSJNVNM-UHFFFAOYSA-N 243.354 3.528 30 20 BHED C[C@@H](NN=C1CCC1(C)C)c1ccccc1 789000478 NBVHDIXPNMQCBI-LLVKDONJSA-N 216.328 3.513 30 20 BHED C=CCCCCC[C@@H](C)NC[C@H]1CCC=CO1 793559010 XYBKVYYJUHHFLJ-HUUCEWRRSA-N 237.387 3.794 30 20 BHED CC(=NOC/C=C/Cl)c1coc2ccccc12 811671255 PJOXIUGZAGGORI-ZPEYGQBVSA-N 249.697 3.926 30 20 BHED Cc1nc(S[C@H]2CC[C@H](C#N)C2)sc1C 829227382 NCIXVNWQJUHXFK-UWVGGRQHSA-N 238.381 3.544 30 20 BHED C/C(=C/C(=O)O[C@@H]1CCC[C@H](C#N)C1)C(C)(C)C 839057428 XPDSLLXJGHTFND-ZBNJQPBLSA-N 249.354 3.604 30 20 BHED N#CC1(CSCCc2cccs2)CCC1 842176432 BKRAEXVAPRLKPL-UHFFFAOYSA-N 237.393 3.718 30 20 BHED C=CCCC(C)(C)NCc1cccnc1Cl 850417169 NTWHVPYAVFJJOC-UHFFFAOYSA-N 238.762 3.569 30 20 BHED CC(CSC(C)(C)C)=NOCC1CCC1 853440094 SMVFTUBKYQRQNO-UHFFFAOYSA-N 229.389 3.711 30 20 BHED C=C1CCC(C(=O)N(C(C)C)C2CCC2)CC1 889122317 MWIPQZMEWZVJCW-UHFFFAOYSA-N 235.371 3.522 30 20 BHED C=CCCCNC1(c2ccccc2OC)CCC1 1254145249 QYOOHXRXLMOMDO-UHFFFAOYSA-N 245.366 3.630 30 20 BHED CC(C)C1(C)CCN(C[C@H](C)CCC#N)CC1 1652264935 VKBOFPKCOVEVBY-CQSZACIVSA-N 236.403 3.684 30 20 BHED CC(C)=NNc1ccc(Cl)cc1Cl 34407138 WICSHPXJVUXLHB-UHFFFAOYSA-N 217.099 3.801 30 20 BHED CC[C@@H](C#N)Sc1ccc(C)cc1C 43557508 TXGBARNOWKTTIV-NSHDSACASA-N 205.326 3.698 30 20 BHED CC(C)N(CCCCC#N)Cc1cccs1 49579463 ZODMZEFFNDJLMC-UHFFFAOYSA-N 236.384 3.652 30 20 BHED Cc1ccccc1NCC(C)(C)CCC#N 92108038 AVLZIEQREAEIMT-UHFFFAOYSA-N 216.328 3.737 30 20 BHED C=C(Cl)CN(C)[C@H](C)c1sc(C)nc1C 106936517 UHCGFMNYUGEKAC-SECBINFHSA-N 244.791 3.505 30 20 BHED C=CC1CCN(C(=O)C[C@H]2CCC[C@H](C)C2)CC1 110363986 IUUSVNATINWPMA-ZFWWWQNUSA-N 249.398 3.627 30 20 BHED C=CCCCN(C)[C@H](C)c1cccs1 117873486 BEZYCIUCSRDNTQ-LLVKDONJSA-N 209.358 3.707 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1ccco1 133084588 SPOJOKMRLJHALY-RYUDHWBXSA-N 207.317 3.675 30 20 BHED C=C[C@H](C)N[C@@H]1CC[C@@H](C)c2ccccc21 157270993 WJCLCCBSYVMJKA-TYNCELHUSA-N 215.340 3.789 30 20 BHED Cc1cc(C#N)ccc1CSc1ccncc1 166004541 ZRROSPFUDHUOAU-UHFFFAOYSA-N 240.331 3.554 30 20 BHED CCCCCCCCC(=O)NCC(C)(C)C 195623682 QIBGRHBGFRORHR-UHFFFAOYSA-N 227.392 3.899 30 20 BHED C[C@@H](CN(C)CCC(C)(C)C#N)c1ccccc1 271987964 DEJLNZHKWVRZKU-AWEZNQCLSA-N 244.382 3.662 30 20 BHED CCC(=CC(=O)Nc1scc(C)c1C#N)CC 288936458 XFULZCOMNHOOIL-UHFFFAOYSA-N 248.351 3.613 30 20 BHED C[C@@H]1CCC[C@@H](Nc2nccc(C#N)c2Cl)C1 300425354 WPZZETPEBPQDRO-MWLCHTKSSA-N 249.745 3.597 30 20 BHED C=CCN[C@@H](c1ccccc1C)C(C)(C)C 309684399 GYXLXDXMBNRYBM-AWEZNQCLSA-N 217.356 3.858 30 20 BHED N#CCCCNc1ccnc2c(Cl)cccc12 342829702 FTNLVZKAYVPCLR-UHFFFAOYSA-N 245.713 3.604 30 20 BHED CCC1(CC)CCN(Cc2cc(C#N)cs2)C1 353614601 SSUNJLDAYPTYES-UHFFFAOYSA-N 248.395 3.632 30 20 BHED C=CC[C@@H](CC)Nc1ncc(Cl)cc1F 379977426 FEFNAJURZRYBKO-SECBINFHSA-N 228.698 3.641 30 20 BHED C=CCC(C)(C)CNc1cccc(F)c1C#N 384076699 WPPCIYHBPYMOJK-UHFFFAOYSA-N 232.302 3.712 30 20 BHED C=CCCCCN[C@H]1CCC12CCCC2 389980754 IRBQXGQJRBIVOX-ZDUSSCGKSA-N 207.361 3.655 30 20 BHED Cc1cc(C)cc([C@H](C)NCC2(C#N)CCC2)c1 450683890 RBILYOYRYXFFBE-AWEZNQCLSA-N 242.366 3.648 30 20 BHED C=CC(C)(C)CNC(=O)C[C@@H](C)c1ccccc1 452779249 SKSUOEHBYJQCEY-CYBMUJFWSA-N 245.366 3.509 30 20 BHED C=C[C@@H]1CCCCN1C(=O)CCCCC(C)C 457765436 OVWZKFFXZDADOU-CQSZACIVSA-N 237.387 3.770 30 20 BHED C=CC[C@@H](C)[C@H](C)NC1(Cc2ccccc2)CC1 480671181 RCZCTYADUITBQY-CABCVRRESA-N 243.394 3.952 30 20 BHED C=C1CCN(C(=O)[C@H](C)CC2CCCCC2)CC1 511135021 MOMLVUWJZQOSIO-CQSZACIVSA-N 249.398 3.772 30 20 BHED C[C@@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)s1 520423904 PLLGGWKDIWGWOK-RISCZKNCSA-N 248.395 3.630 30 20 BHED C=CCCCc1nc([C@H]2CCC[C@@H](C)C2)no1 545641346 XDURTDRUUSDLBG-NEPJUHHUSA-N 234.343 3.872 30 20 BHED C=CCc1ccccc1OCc1ccc(C#N)cc1 597201222 WRAJHOZUWQOWBE-UHFFFAOYSA-N 249.313 3.866 30 20 BHED C=CCCSc1ncc(-c2ccc(F)cc2)[nH]1 606755031 TUUYQWPRZWBNEU-UHFFFAOYSA-N 248.326 3.884 30 20 BHED C=CCCCOC(=O)C[C@@H](C)c1ccccc1C 735536060 LCGAIHMLWUSPRN-CQSZACIVSA-N 246.350 3.998 30 20 BHED C=C(C)CCOC(=O)/C=C/C1CCCCC1 744299566 HLTCUKSLHUFCEI-CMDGGOBGSA-N 222.328 3.632 30 20 BHED CCCCNN=C[C@H](C)CCc1ccccc1 749157760 JEEPGJJQJFZTPP-CQSZACIVSA-N 232.371 3.631 30 20 BHED C[C@H](C=NOCC(F)F)CCc1ccccc1 758899716 LNMSKVVPRYKSMO-NSHDSACASA-N 241.281 3.523 30 20 BHED C#CC[C@H](N[C@@H](C)[C@@H](C)CC)c1ccccc1 773117083 UAJHGUPQGJIXJB-DZKIICNBSA-N 229.367 3.775 30 20 BHED C#CC[C@H](N[C@@H]1CCC[C@H](C)C1)c1ccccc1 773117835 XNHCBJWMSUFUCL-UAGQMJEPSA-N 241.378 3.919 30 20 BHED CSCCON=C1CCC(C)(C)C[C@@H]1C 794574116 WDLUHXCJKYYHFL-JTQLQIEISA-N 229.389 3.568 30 20 BHED CCCCCCCOC(=O)c1cc(C#N)oc1C 797886811 ZLNLFHTZBJPYHA-UHFFFAOYSA-N 249.310 3.587 30 20 BHED Fc1cc(F)c(NN=CCCC2CC2)cc1F 807973489 QYIQREVQXMYNEZ-UHFFFAOYSA-N 242.244 3.692 30 20 BHED C=C[C@](C)(CC)c1nc([C@@H](C)CCC)no1 809361880 ZGKKBONJHBZXHL-GXFFZTMASA-N 222.332 3.827 30 20 BHED CCn1cc(C=NOC2CCC2)c2ccccc21 812236364 KZCUFNYQOZFMRG-UHFFFAOYSA-N 242.322 3.564 30 20 BHED CC(C)[C@@H]1CCCC1=NOCCC1CC1 814247274 YYAKSEKSJAHWET-LBPRGKRZSA-N 209.333 3.615 30 20 BHED C=C[C@H]1CCCCN1CC[C@H]1CC1(Cl)Cl 822977198 QAZLNJPJIFLMJY-QWRGUYRKSA-N 248.197 3.611 30 20 BHED C=CCCC(=NNc1ccc(Cl)cn1)C1CC1 853438072 YZPMOWUOKCYTOO-UHFFFAOYSA-N 249.745 3.879 30 20 BHED CCCCCCCCC(=O)N(CC)C(C)C 917825486 IILLHQSGFQTNOJ-UHFFFAOYSA-N 227.392 3.994 30 20 BHED CC1CC(CSc2ccc(C#N)cc2)C1 1652612625 JPBSSHZHTACNSY-UHFFFAOYSA-N 217.337 3.696 30 20 BHED N#Cc1c(Cl)cccc1NC1CCCCC1 48727854 GXBGXWXBLYLAOB-UHFFFAOYSA-N 234.730 3.956 30 20 BHED CCN(Cc1c(C)cc(C)cc1C)C[C@H](C)C#N 49899155 CKYNSUZDPPALEM-CYBMUJFWSA-N 244.382 3.593 30 20 BHED CCCCCCCN[C@@H](C)c1cccnc1 59090623 BVLGPVNUAFCFAE-ZDUSSCGKSA-N 220.360 3.703 30 20 BHED COCC[C@@H](C)S[C@@H](C)c1ccc(C#N)cc1 88306828 QOCTVFNDLNXLTA-NEPJUHHUSA-N 249.379 3.777 30 20 BHED C[C@H]1CCCN(c2cc(Cl)ccc2C#N)CC1 110815267 LDJXSVCGABWCTM-NSHDSACASA-N 248.757 3.838 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 116907845 NBBFEZFFMOTVGW-UWVGGRQHSA-N 225.282 3.580 30 20 BHED CC[C@H](C#N)SCc1ccc(Cl)cc1 121034946 PNLLJCFJVKAZNQ-LLVKDONJSA-N 225.744 3.875 30 20 BHED C=CCSCCN[C@H](CC)c1ccccc1 129351830 FTUFPCPLAXFUDC-CQSZACIVSA-N 235.396 3.647 30 20 BHED C=CCC[C@@H](C)N[C@H](C)c1ccc(OC)cc1 135712759 NSFWPJIRBZHCIZ-CHWSQXEVSA-N 233.355 3.701 30 20 BHED C[C@H](CC1CCCC1)NCc1cccc(C#N)c1 156480192 UJBAUZQXCBUNBJ-CYBMUJFWSA-N 242.366 3.617 30 20 BHED CCCN(CCCCC#N)CC1CCCCC1 171034079 VJENFIUVKQJNHY-UHFFFAOYSA-N 236.403 3.973 30 20 BHED C=CCCCCCN(C)Cc1nccn1C(C)C 172655233 KKJCUIOWDHHTOB-UHFFFAOYSA-N 249.402 3.642 30 20 BHED CCc1ccc(C(=O)/C=C/c2cccs2)o1 176679920 KCAPFLVHAAMRDP-VOTSOKGWSA-N 232.304 3.800 30 20 BHED C#CCCCC(=O)Nc1ccc(C(C)C)cc1 192042636 AODPFCMFDQLPSB-UHFFFAOYSA-N 229.323 3.552 30 20 BHED Cc1cc(C)cc(CON=Cc2cccs2)c1 255266309 HPKCTHBOSUMBGW-UHFFFAOYSA-N 245.347 3.916 30 20 BHED Cc1cccc([C@@H](C)N[C@H](C)CCC#N)c1C 276256416 AILTWGPGKTZOCL-TZMCWYRMSA-N 230.355 3.646 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(Cl)nc1 281801399 YIOBXEPIMKRUDU-CMPLNLGQSA-N 238.762 3.740 30 20 BHED C=C(CC)CN[C@H]1CCCC[C@H]1SCC 309045366 ODHHHDAMKMEZSF-QWHCGFSZSA-N 227.417 3.607 30 20 BHED C=CCC[C@H](C)NCC1CCC(F)(F)CC1 309529189 DBZNJSWZGZACRL-NSHDSACASA-N 231.330 3.756 30 20 BHED N#C[C@H]1CC[C@@H](Nc2cccc(C(F)F)c2)C1 334389708 RZZOWPNTDHWQHY-JOYOIKCWSA-N 236.265 3.728 30 20 BHED CSC(C)(C)CCNc1ccc(CC#N)cc1 385335993 WBMXLFLLPZGINA-UHFFFAOYSA-N 248.395 3.696 30 20 BHED C=CCCCCN[C@H](C)CSC(C)(C)C 389881140 OIWFVAISIDRVKQ-GFCCVEGCSA-N 229.433 3.853 30 20 BHED C=CC[C@@H](CC)N[C@@H]1Cc2ccc(Cl)cc2C1 393788972 XPVRXSGXMOJIMP-HUUCEWRRSA-N 249.785 3.752 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)C1(OC)CCC1 414312573 WSXPYQWVLSNIMF-UONOGXRCSA-N 239.403 3.669 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)[C@@H](OC)C1CC1 449635087 XGKCYSPNIUIZNW-KCQAQPDRSA-N 239.403 3.524 30 20 BHED C=C[C@H](C)NC(=O)[C@@H](CC)C1CCC(C)CC1 461014295 JREIJTRPWUXHSC-YIOUJQMASA-N 237.387 3.530 30 20 BHED CC#CCCCC(=O)NCC1CCC(CC)CC1 464436640 KLHJGICSXCXCNW-UHFFFAOYSA-N 249.398 3.513 30 20 BHED C=CCN[C@@H](c1ccc(F)cc1)C1CCCC1 539310583 ZCRZWKMGEPXJBI-OAHLLOKOSA-N 233.330 3.833 30 20 BHED C=C(CC)CN(C)Cc1cccc(Cl)c1 540216908 BNOFAPKKKKVKGV-UHFFFAOYSA-N 223.747 3.738 30 20 BHED C=CCCCC(=O)N[C@@H](C)c1c(C)cccc1C 545455031 WSIIMQOMWMVZFR-AWEZNQCLSA-N 245.366 3.837 30 20 BHED CCCC[C@@H](C)NC1(c2cccc(C#N)c2)CC1 556605999 OSLBTDLMNDHXBZ-CYBMUJFWSA-N 242.366 3.716 30 20 BHED CC#CCCCc1nc(C2CCCCCC2)no1 567884154 NXKBWCDURDRFRC-UHFFFAOYSA-N 246.354 3.853 30 20 BHED C=CCCCOc1ccccc1CC=C 574006190 MQBSCXQZDHYMRK-UHFFFAOYSA-N 202.297 3.760 30 20 BHED N#CC1(CCNC2(C3CCC3)CC2)CCCCC1 593082431 RWLFWFZSXWIFQN-UHFFFAOYSA-N 246.398 3.773 30 20 BHED Cc1ccc(S[C@@H](C#N)C2CC2)cc1C 601072320 IWPFHZMOQULXCN-ZDUSSCGKSA-N 217.337 3.698 30 20 BHED C=CCC1(NC[C@H](C)CCC#N)CCCCC1 602683707 KTXYMQOWTDXXTC-CQSZACIVSA-N 234.387 3.795 30 20 BHED C[C@@H](Sc1ccc(C#N)cc1)c1ccncc1 609484215 XSUNVAXYEVOZHH-LLVKDONJSA-N 240.331 3.807 30 20 BHED C=CC1CCN(Cc2cscc2Cl)CC1 678260130 ZCAGKBRJQWSWDP-UHFFFAOYSA-N 241.787 3.800 30 20 BHED C=CCCC(=O)Oc1ccc(Cl)cc1Cl 726495788 JMPSLMBZUUVYID-UHFFFAOYSA-N 245.105 3.865 30 20 BHED CC(C)c1ccc(C=NNC2CCCC2)cc1 727652618 MNONXJSKYPKKRM-UHFFFAOYSA-N 230.355 3.676 30 20 BHED C=CCCOC(=O)C[C@@H](CC)CCCC 735400170 SDRAJWQKNSDUJT-LBPRGKRZSA-N 212.333 3.712 30 20 BHED FC(F)(F)CCON=C/C=C\c1ccccc1 777460944 SBRSYQJABOBDHN-RIHHJFJNSA-N 243.228 3.655 30 20 BHED C=CCCCSCC(=O)OC1CCCCC1 783479751 RNGAEAHXTGVJNE-UHFFFAOYSA-N 242.384 3.562 30 20 BHED C#CC(C)(C)N(C)Cc1cccc2ccccc12 787996891 BHENFEDSKWYFPD-UHFFFAOYSA-N 237.346 3.683 30 20 BHED C#CCCCOc1ccc2[nH]c(C)c(C)c2c1 794730830 ZXUNVNPGIDPVSG-UHFFFAOYSA-N 227.307 3.577 30 20 BHED C=C(C)CNc1ccc2cc(OC)ccc2c1 795286829 PVTNHBVPKNTPEI-UHFFFAOYSA-N 227.307 3.836 30 20 BHED COc1ccccc1CON=C[C@@H]1CC[C@@H](C)C1 800817834 VPJOHEGPJWQUMG-CHWSQXEVSA-N 247.338 3.634 30 20 BHED C=C(Cl)CN1CC(C)(C)[C@@H]1c1cccs1 805839357 CXCZEHBPECZRFS-NSHDSACASA-N 241.787 3.884 30 20 BHED C=CCCCCCCNC(=O)N(CC)CCC 807571060 ZKAAXQRPISZEFF-UHFFFAOYSA-N 240.391 3.564 30 20 BHED CC[C@@H]1CCCC(=NOC/C=C/Cl)C1 811671139 AJNANRHWUHWVDE-ZGEMEOINSA-N 215.724 3.712 30 20 BHED CC(=NNc1ccc(F)cc1)c1ccccc1 916268219 RAZCCZOGZZALBL-UHFFFAOYSA-N 228.270 3.662 30 20 BHED CCCCCCC[C@H](C)CNC(=O)C1CCC1 917872210 GXOBHROKSULPNV-ZDUSSCGKSA-N 239.403 3.899 30 20 BHED C=CC(C)(C)CC(=O)N[C@@H](C)c1cc(C)oc1C 1119382015 XBUQUDYXJFTWQF-NSHDSACASA-N 249.354 3.676 30 20 BHED Fc1ccc(CCC=NOC2CCCC2)cc1 1321289845 PIVLDECBGIIFQR-UHFFFAOYSA-N 235.302 3.703 30 20 BHED C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1348958530 URJBADLBWWQZJB-UONOGXRCSA-N 249.398 3.627 30 20 BHED C=CCC[C@@H](CC)Nc1cccc(C(=O)O)c1 1602857190 NGIFWHUVMPMBCY-GFCCVEGCSA-N 233.311 3.542 30 20 BHED C[C@H](CCC#N)CN1CC(C)(C)CC(C)(C)C1 1621227026 JBJLLEGWXFFLNC-CYBMUJFWSA-N 236.403 3.684 30 20 BHED N#CCCN(CCCC1CCCCC1)CC1CC1 1653501246 KHTQRKZGHCULJZ-UHFFFAOYSA-N 248.414 3.973 30 20 BHED Cc1ccc(/C=C/C(=O)c2cccc(C#N)c2)cc1 59270134 FGKAUAJLPSSYMH-MDZDMXLPSA-N 247.297 3.763 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc(CC)s1 119366320 KQAOSDPOOUEXQL-NXEZZACHSA-N 209.358 3.536 30 20 BHED C=C(C)CN[C@H](C)c1ccc(OC(C)C)cc1 128478972 CYTGTQHAQMTJAJ-CYBMUJFWSA-N 233.355 3.701 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@H]1CC(C)C 128830531 KBRQSLIKXGLPJW-HNNXBMFYSA-N 249.398 3.792 30 20 BHED Fc1ccc(C#CCSCc2ccco2)cc1 135240356 ACGYNKJFFAQDRX-UHFFFAOYSA-N 246.306 3.704 30 20 BHED N#CCCCN[C@H](CC1CCC1)c1ccccc1 181353885 UPPWSXSHSHOSHJ-MRXNPFEDSA-N 242.366 3.811 30 20 BHED CCCN(CC#N)Cc1cccc(SCC)c1 186194949 AGFWUJMUMYHZRW-UHFFFAOYSA-N 248.395 3.534 30 20 BHED C=C(C)COc1ccccc1-c1nccs1 187222976 NGPZVMUHRVPVJE-UHFFFAOYSA-N 231.320 3.765 30 20 BHED C=CCCC(=O)N(C)C1CCC(CCC)CC1 192271829 HJNZAJFVNUIXAC-UHFFFAOYSA-N 237.387 3.770 30 20 BHED CSCCCCCNc1ccc(C#N)cc1 229570219 NRHUBOZKVCJBRU-UHFFFAOYSA-N 234.368 3.503 30 20 BHED Cc1cccc(Nc2nccc(C#N)c2Cl)c1 235942509 NDRGMMMACBXIFM-UHFFFAOYSA-N 243.697 3.659 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccc(C)o1 281571609 KMLQKXQTUCUXJS-RYUDHWBXSA-N 207.317 3.593 30 20 BHED C#Cc1cccc(NCc2ccsc2C)c1 309204376 AWBLCNZCDDOXOX-UHFFFAOYSA-N 227.332 3.650 30 20 BHED C=CCCCSCCCCCOC 336653535 MIJAOTZMKFXFFP-UHFFFAOYSA-N 202.363 3.503 30 20 BHED C[C@@H]1C[C@H](NCC2(CC#N)CC2)c2ccccc21 344088278 QBTYAJJNAOEJBV-DOMZBBRYSA-N 240.350 3.518 30 20 BHED C=CCCC[C@@H](C)Sc1nncn1C(C)C 360515581 AXEUYNVJEAFAQI-LLVKDONJSA-N 239.388 3.696 30 20 BHED CC[C@@H](C#N)SCCSC(C)(C)C 388664707 WFMHTRGNXQNIJB-VIFPVBQESA-N 217.403 3.553 30 20 BHED C=CCN(C)Cc1c(C)cc(Cl)cc1C 428391990 RXUCGEWIRWHUCB-UHFFFAOYSA-N 223.747 3.575 30 20 BHED C=CCC[C@@H](C)N[C@H]1CCOc2c(F)cccc21 443229830 ZUZBBBSPBMIAKR-RISCZKNCSA-N 249.329 3.594 30 20 BHED CCC[C@H](NCCCCC#N)C1CCCC1 449130012 FKAJRECKVXUJRE-AWEZNQCLSA-N 222.376 3.629 30 20 BHED CC(C)Oc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 449467026 KAVIAUZJWGFSCQ-TZMCWYRMSA-N 244.338 3.578 30 20 BHED C=CCC1(C(=O)N[C@@H](CC)CCC)CCCC1 449812428 VABYQWUXYIBMKG-ZDUSSCGKSA-N 237.387 3.818 30 20 BHED C=CCCCCCN1CCCC(C)(C)[C@H]1C#N 488965594 MBMISEFJITUMEB-CQSZACIVSA-N 234.387 3.747 30 20 BHED C=CCN(Cc1ccc2ccccc2c1)C1CC1 514103267 AYBZYHQMTKLHKJ-UHFFFAOYSA-N 237.346 3.990 30 20 BHED C=CCCC[C@H](C)NC(=O)N[C@@H](CC)CCC 538280427 AQGOANWTMQZMDP-STQMWFEESA-N 240.391 3.609 30 20 BHED CCCC1CCC(CN[C@H](CC)CC#N)CC1 546582306 SVHHZARIDFCAEM-YMAMQOFZSA-N 236.403 3.875 30 20 BHED C=CCC(F)(F)c1nc([C@@H](C)C(C)(C)C)no1 556300352 QTPDACYCKQWOLJ-MRVPVSSYSA-N 244.285 3.887 30 20 BHED CC(C)c1ccc(C(C)(C)NCCCC#N)cc1 609358630 PNRAOKZCKHZUDH-UHFFFAOYSA-N 244.382 3.938 30 20 BHED CC[C@H](C#N)Nc1cc(C)cc(C(F)(F)F)c1 616918260 IEVYTOVISBMVOJ-SNVBAGLBSA-N 242.244 3.728 30 20 BHED C=CCCCCn1cnc2cc(F)c(F)cc21 649459310 JYPYNSZYXNXGRH-UHFFFAOYSA-N 236.265 3.671 30 20 BHED CCCCC(CC)=NNc1cccc(C#N)c1 732924100 RBDPYYHTODENOQ-UHFFFAOYSA-N 229.327 3.926 30 20 BHED CC[C@H](C)C=NNc1ccc(C(F)(F)F)cn1 755487860 HKURIAQQTJAUDG-QMMMGPOBSA-N 245.248 3.544 30 20 BHED CC(C)(C)C1CCC(=NOCC(F)F)CC1 758903304 CRXLSUSLUKZYQR-UHFFFAOYSA-N 233.302 3.860 30 20 BHED C#CCCCN1CCCCC[C@H]1c1ccco1 766906318 QDEAUOXAGARLMU-AWEZNQCLSA-N 231.339 3.610 30 20 BHED Cc1cccc(F)c1NN=C1CC(C(F)F)C1 769840984 QQRPNVPQTHUHSE-UHFFFAOYSA-N 242.244 3.577 30 20 BHED CCCCC(C)=NNc1nccnc1C(C)C 773091460 PVRPYOSVSCYHEI-UHFFFAOYSA-N 234.347 3.578 30 20 BHED CCC(CC)(CC)C(=O)OCCC(C)(C)C#N 776398338 XTXLMAQJMTWSMD-UHFFFAOYSA-N 239.359 3.686 30 20 BHED CCCCCCCCSCc1noc(C)n1 790554471 QZAFUUJIRIXNCL-UHFFFAOYSA-N 242.388 3.972 30 20 BHED CCc1ccc(CCC=NOCC2CC2)cc1 814243273 OAVFYJFIUYYXEZ-UHFFFAOYSA-N 231.339 3.594 30 20 BHED CC(C)CON=C1CC(c2ccccc2)C1 814884412 XAHJIRVUNDVXDY-UHFFFAOYSA-N 217.312 3.593 30 20 BHED Cc1cccnc1NN=C1CCCC12CCCC2 814911399 FWJNXIHKISPASA-UHFFFAOYSA-N 243.354 3.902 30 20 BHED C=CCC[C@H](CC)N[C@@H](c1ccccn1)C1CC1 903338472 IEJSFROEAYFUTH-GOEBONIOSA-N 244.382 3.867 30 20 BHED CCC(C)=NNc1cccc(C(F)(F)F)c1 916259917 JANAQUFXQNTZPP-UHFFFAOYSA-N 230.233 3.903 30 20 BHED C/C(=C/Cl)CSCC1(C#N)CCCC1 917662278 IWDKKSRYWGDHRR-POHAHGRESA-N 229.776 3.946 30 20 BHED C[C@H](Nc1cccc(CC#N)n1)C1CCCCC1 1345641229 KXPHTWBFBRSHQJ-LBPRGKRZSA-N 243.354 3.528 30 20 BHED C=C(C)CCC(=O)N(C(C)C)C1CCCC1 1353564550 DTLOGDMJNAMPKN-UHFFFAOYSA-N 223.360 3.522 30 20 BHED C#Cc1ccc(SCCC(F)(F)F)cc1 1898210205 AFMBMZKEAXZLPP-UHFFFAOYSA-N 230.254 3.712 30 20 BHED Cc1cc(-c2ccc(F)cc2)nc(Cl)c1C#N 9280532 VJICUXZBAOMUCC-UHFFFAOYSA-N 246.672 3.721 30 20 BHED C[C@H](NCc1cc(C#N)cs1)c1cccs1 86500128 XTWKVNSANSIUIC-VIFPVBQESA-N 248.376 3.532 30 20 BHED CC(C)(C#N)CCCSc1ccncc1 94614270 QKNNHMAYUULKTA-UHFFFAOYSA-N 220.341 3.504 30 20 BHED C=C(Cl)CN[C@H](c1ccccc1C)C1CC1 131969418 RWZNUTMXBQLADA-AWEZNQCLSA-N 235.758 3.788 30 20 BHED C=C(Cl)CSCc1c(CC)noc1C 160087200 WIZQURUJZRIWND-UHFFFAOYSA-N 231.748 3.531 30 20 BHED C=CCCCC(=O)N(C1CC1)[C@@H](C)c1ccco1 177756562 LIJMWDIWJBGEGI-LBPRGKRZSA-N 247.338 3.688 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C 180947399 HRHGUQOIARBTLV-ZYHUDNBSSA-N 248.326 3.518 30 20 BHED CCCCCSc1ccc(C#N)cc1F 227860196 UNIGDDFWBNVUDS-UHFFFAOYSA-N 223.316 3.980 30 20 BHED C=CCN(CC=C)Cc1c(F)cccc1Cl 248013876 RYIYBHJZSSXODA-UHFFFAOYSA-N 239.721 3.653 30 20 BHED CCOc1ccc(N=Cc2ccccc2O)cc1 254046646 IJWFUEBTMMXDMR-UHFFFAOYSA-N 241.290 3.542 30 20 BHED CC(C)[C@H](N[C@H](C)CCC#N)c1ccccc1 276357577 XVJHMNOKUPHJBO-HIFRSBDPSA-N 230.355 3.666 30 20 BHED CC(C)C[C@H]1CCCN1c1cccc(F)c1C#N 301136959 AZUZWWBSCKVNRT-GFCCVEGCSA-N 246.329 3.712 30 20 BHED C=CCC[C@H](CCC)NC[C@H](C)C(F)(F)F 310004331 FYSUSTGLDVHVOT-QWRGUYRKSA-N 237.309 3.909 30 20 BHED N#CCC1(CN[C@@H]2CCCCC23CCCC3)CC1 310807850 YWMUQKRIAVOYKW-CQSZACIVSA-N 246.398 3.773 30 20 BHED C=CC[C@@H](CC)N[C@H]1CCCc2ccc(O)cc21 340542187 MTAQGARYWDYAOD-CJNGLKHVSA-N 245.366 3.714 30 20 BHED COc1ccccc1[C@H](C)SCC1(C#N)CC1 349179595 VKFYPHDUOSQGPA-NSHDSACASA-N 247.363 3.793 30 20 BHED CCCN(CCCC(C)(C)C#N)CC(C)C 380678188 FGFDDGBJSQHYEH-UHFFFAOYSA-N 224.392 3.684 30 20 BHED C=CCCC[C@H](C)Nc1ncnc2ccsc12 398230166 RZSJNEJMKRWYPO-JTQLQIEISA-N 247.367 3.848 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 424786667 UBAAZVWAHFOHAJ-YNEHKIRRSA-N 237.387 3.530 30 20 BHED C[C@@H]1CC[C@H](N(C)CCCCC(C)(C)C#N)C1 444707889 QMHDJULYJQNVPY-KGLIPLIRSA-N 236.403 3.827 30 20 BHED C=CCCCC[C@@H](C)NCC[C@@H]1CCCCO1 449236882 ZOXOJCGPAHEADZ-CABCVRRESA-N 239.403 3.670 30 20 BHED C=CCC1(C(=O)N[C@@H](C)CCC2CC2)CCCC1 450692583 MPDMMDJHQKSHKF-ZDUSSCGKSA-N 249.398 3.818 30 20 BHED C=C[C@](C)(CC)C(=O)NCCC1CCCCC1 467427666 MIGUBOQQJISQMN-OAHLLOKOSA-N 237.387 3.675 30 20 BHED C=CCC(C)(C)CNC(=O)C1=CCCCCC1 489906088 JHWDNTXFRPCHRI-UHFFFAOYSA-N 235.371 3.595 30 20 BHED CC#CCN(C)C1c2ccccc2-c2ccccc21 533070548 XSFLVEDCDRUIMP-UHFFFAOYSA-N 247.341 3.712 30 20 BHED C=CCCN1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 549037306 LJFSXZPEMMBXMP-HOCLYGCPSA-N 229.367 3.749 30 20 BHED C[C@H](NCCCC1CCC1)c1cccc(C#N)c1 594728504 OSSVBDPUTCSGQW-ZDUSSCGKSA-N 242.366 3.789 30 20 BHED N#CCc1ccc(CSCC2CC=CC2)cc1 596412613 KRCDJJNFVSRWQP-UHFFFAOYSA-N 243.375 3.952 30 20 BHED CCCC[C@@H]1CCC[C@H]1NC[C@@H](C)CCC#N 602535019 LGCDUWGHSADZRH-RRFJBIMHSA-N 236.403 3.875 30 20 BHED CC#CCN(Cc1ccccc1)CC(C)(C)C 607729314 PJKZESAEBXLMPH-UHFFFAOYSA-N 229.367 3.558 30 20 BHED C=CCC1(C(=O)N2C[C@@H]3CCCC[C@@H]32)CCCC1 616721915 PKBXJUANXHHGSP-KBPBESRZSA-N 247.382 3.524 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@@]2(C)CCC[C@@H]2C)C1 617779203 XDRHRZAQVNDGGG-LZWOXQAQSA-N 249.398 3.627 30 20 BHED Cc1ccc([C@@H](C)N[C@@H](C)CC(C)(C)C#N)cc1 695777687 IDORITJCBOYESB-UONOGXRCSA-N 244.382 3.974 30 20 BHED C=CCC[C@H](C)Nc1ccc2c(c1)C[C@H](OC)C2 757872531 CVEQACRAOBWUFQ-BLLLJJGKSA-N 245.366 3.567 30 20 BHED C1CCC(ON=C2CCC[C@@H](C3CC3)C2)C1 774601423 CWCAOAKRXWQKTL-GFCCVEGCSA-N 221.344 3.902 30 20 BHED C=C(Cl)CN(CCC)Cc1ccc(C)cc1 780942764 DCKFYUXJAFXNGU-UHFFFAOYSA-N 237.774 3.960 30 20 BHED CC[C@H]1CCCC1=NNCC1(C)CCCC1 793081217 IMRWOYGHQSNQAR-LBPRGKRZSA-N 222.376 3.722 30 20 BHED C[C@@H](NN=C1CCCC(C)(C)C1)C(C)(C)C 793112859 XYOJAAVGKWMEEH-LLVKDONJSA-N 224.392 3.967 30 20 BHED CCCC(CCC)=NNc1cccc(F)n1 795010009 SORLAHZPXHERGA-UHFFFAOYSA-N 223.295 3.589 30 20 BHED CCC(=NOCc1ccccc1OC)C(C)C 799118432 GDEPDAUPHPCMSX-UHFFFAOYSA-N 235.327 3.634 30 20 BHED CC(C)Oc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1 799720539 IYWNBNQKJBAPAR-TZMCWYRMSA-N 244.338 3.578 30 20 BHED CC(C)=CCCC(C)=NOCCC1CC1 814247041 OMYIRUDRWOQSEN-UHFFFAOYSA-N 209.333 3.925 30 20 BHED C=C(C)C(C)(C)c1nc([C@H](C)CCC)no1 818380739 HLFKYUJKFUDHKB-SNVBAGLBSA-N 222.332 3.827 30 20 BHED CC[C@H]1CCCCC1=NN[C@H](C)c1ccncc1 819816861 QRZPQQQPAILRPU-OLZOCXBDSA-N 245.370 3.688 30 20 BHED C[C@H](NN=C[C@H]1CCCC[C@H]1C)c1ccncc1 819817278 ZJQZKPCENCTRDF-VNHYZAJKSA-N 245.370 3.544 30 20 BHED CCC(=NNc1ncccc1Cl)C1CCC1 834942847 REQZFENLNWATMI-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C=C1CC(c2noc(/C(C)=C\c3ccco3)n2)C1 896874327 KZQTVWFKJKBGPO-NTMALXAHSA-N 242.278 3.657 30 20 BHED N#Cc1ccnc(CSC2CCCCC2)c1 901381001 IRSOEUBQVBMMBF-UHFFFAOYSA-N 232.352 3.519 30 20 BHED Cc1ccc(NN=C[C@H]2C[C@H]2C)cc1Cl 1319265769 CKYTVQLVECQILB-NXEZZACHSA-N 222.719 3.702 30 20 BHED C=CCCSc1cc(Cl)ccc1C(=O)O 1588814538 CWKSAWYJVVVNGW-UHFFFAOYSA-N 242.727 3.706 30 20 BHED CCN(C[C@H](C)CCC#N)c1ccccc1C 1658907613 XMVLNCPXWNIYQI-CYBMUJFWSA-N 230.355 3.761 30 20 BHED COc1ccccc1N[C@H](C#N)C1CCCCC1 37938664 SSGLSFJHYOFVEI-CQSZACIVSA-N 244.338 3.580 30 20 BHED C=CCN(CC=C)Cc1ccc(F)cc1Cl 58337446 KACXSXCFWKODCP-UHFFFAOYSA-N 239.721 3.653 30 20 BHED Cc1ccc(SCC2(CC#N)CC2)cc1 88259645 ZBVDZTJXAXELHB-UHFFFAOYSA-N 217.337 3.781 30 20 BHED C=C(C)CN(CC)C(=O)N[C@@H](C)CCCCC 125275349 KYDKDTMIOJTJJK-ZDUSSCGKSA-N 240.391 3.563 30 20 BHED CCCCCCCCC(=O)NC[C@@H](C)SC 129231164 UAOJDXFECQTZRQ-GFCCVEGCSA-N 245.432 3.605 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cc(C)cc(C)c1 157219592 FIUODFANZAXHBE-OLZOCXBDSA-N 203.329 3.529 30 20 BHED C#CCCCN[C@@H](CCC)c1ccccc1 178052475 RJBFLNNDFBBEIL-HNNXBMFYSA-N 215.340 3.531 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1cncc(F)c1 182182233 NUSHJGZBBXLHEU-NWDGAFQWSA-N 236.334 3.616 30 20 BHED C[C@H]1C[C@H](C)CC[C@@H]1NCC(C)(C)CCC#N 229695964 VSZXDRLFNYAHPO-RDBSUJKOSA-N 236.403 3.731 30 20 BHED CC(C)CCSc1ccc(C#N)cc1 230921263 JOTJGRPPSJQHIL-UHFFFAOYSA-N 205.326 3.696 30 20 BHED C=CCCCN[C@@H](C)c1c(F)cccc1F 303520665 VKLRDWFYZOYQIZ-JTQLQIEISA-N 225.282 3.582 30 20 BHED SCc1cccc(OCc2ccccc2)c1 306597739 OTYGPIHZLQIORP-UHFFFAOYSA-N 230.332 3.695 30 20 BHED C=CC[C@@H](C)[C@H](C)NCC1CC(C)(C)C1 308849552 NSFKTASRBJFNBD-NEPJUHHUSA-N 209.377 3.613 30 20 BHED C=CC[C@@H](CC)N[C@H](C)Cc1ccsc1 309167900 JXDGRTSRIMAPCL-DGCLKSJQSA-N 223.385 3.623 30 20 BHED C=C(C)CCNc1ccc2ccn(C)c2c1 309608967 MCDPLWAZKIJMBW-UHFFFAOYSA-N 214.312 3.556 30 20 BHED Cc1cc(Cl)ccc1N[C@H]1CC[C@@H](C#N)C1 309847704 HKIQCBNBOAYYHL-PWSUYJOCSA-N 234.730 3.753 30 20 BHED C=CC(C)(C)CNCc1ccsc1Cl 312614552 NTJVNEQKLZSGMY-UHFFFAOYSA-N 229.776 3.703 30 20 BHED N#CC1(CSCc2ccc3c(c2)CCC3)CC1 344482454 JQTHCQIBVZLCII-UHFFFAOYSA-N 243.375 3.712 30 20 BHED CC(C)[C@H]1N(CC(C)(C)CCC#N)CC1(C)C 353745261 ICIKWARDRFNXOX-CYBMUJFWSA-N 236.403 3.683 30 20 BHED C=CCC(C)(C)CNCCCc1ccc(C)nc1 353925273 NANMVUKWCLWBJZ-UHFFFAOYSA-N 246.398 3.515 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)C1(OC)CCC1 414312571 WSXPYQWVLSNIMF-KGLIPLIRSA-N 239.403 3.669 30 20 BHED C=CC[C@H](C)NC(=O)c1ccccc1C(C)(C)C 433772036 WPJHZWVESYWJJO-LBPRGKRZSA-N 245.366 3.679 30 20 BHED N#C[C@H]1CC[C@H](Nc2ccc(F)c(C3CC3)c2)C1 442863945 FEFBUFVAMAIFNX-JQWIXIFHSA-N 244.313 3.807 30 20 BHED C=CC[C@@H](CC)NC(=O)N(CC)C(CC)CC 460773697 ZHUDESDFHJAQMY-GFCCVEGCSA-N 240.391 3.561 30 20 BHED C=CCN(C(=O)[C@H]1C[C@@]1(C)CC)c1ccccc1 466411942 IUWBZGQOEQGJQG-GDBMZVCRSA-N 243.350 3.642 30 20 BHED C=CCCCCNC(=O)C[C@H](C)C(C)(C)C 471666443 GTIOCWFKISEGDC-LBPRGKRZSA-N 225.376 3.531 30 20 BHED C=CC1CCN([C@H](C)c2ccccc2C)CC1 483382209 KCRXKJNWNUYOLO-CQSZACIVSA-N 229.367 3.954 30 20 BHED C=C(C)CCN1CC[C@@H](c2ccccc2)[C@@H]1C 509331294 LWKYSUXTKRZBTH-GOEBONIOSA-N 229.367 3.831 30 20 BHED N#CC1(CN2CCCCCc3ccccc32)CC1 537256102 XVIRBTDJTIXLJR-UHFFFAOYSA-N 240.350 3.523 30 20 BHED C=CCCC[C@@H](C)NC(=O)N(CCC)C(C)C 570526697 MYSPEGAGFITAHA-CYBMUJFWSA-N 240.391 3.561 30 20 BHED CC(C)c1cccc(CSCCC#N)c1 596022950 UUUCOUHTMFYULF-UHFFFAOYSA-N 219.353 3.957 30 20 BHED C=CCCCSCCOc1ccccc1 609781640 WVPIKSHATOPDPV-UHFFFAOYSA-N 222.353 3.765 30 20 BHED Cc1cccc([C@H](C)N2CCC[C@](C)(C#N)C2)c1 612161807 AJMSVJQFFJPYKA-GOEBONIOSA-N 242.366 3.682 30 20 BHED C=CCN(CCC(C)C)Cc1ccc(OC)cc1 614352966 XPKLPBQCWKOYDZ-UHFFFAOYSA-N 247.382 3.729 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H](C)C2)C1 617782576 IFJBDJCVJUJTJG-ZNMIVQPWSA-N 249.398 3.627 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H](C)c1ccccc1 620857727 HMWLGWSTGLEEOJ-CYBMUJFWSA-N 245.366 3.651 30 20 BHED C#Cc1cccc(NC(=O)C[C@H](CC)C(C)C)c1 729306847 BMFZXUXAMFLUSS-AWEZNQCLSA-N 243.350 3.679 30 20 BHED C=CCCCC(=O)N(CC)c1ccc(CC)cc1 748520493 QGZXIRWSHOVAGE-UHFFFAOYSA-N 245.366 3.958 30 20 BHED C=CCCCN1CCC(c2cccc(F)c2)CC1 752091703 DFIVARNQLCPSQU-UHFFFAOYSA-N 247.357 3.971 30 20 BHED CCCCCCCCNC(=O)[C@@H]1C[C@@H]1C1CC1 754855053 SVWKIZLYEYNYPW-ZIAGYGMSSA-N 237.387 3.509 30 20 BHED CCC(=NOCC(F)(F)F)c1ccc(F)cc1 764844061 FRKWOJPHUYIRQG-UHFFFAOYSA-N 249.207 3.519 30 20 BHED C#CCCCCC(=O)O[C@H](C)c1ccccc1C 773802064 KWZPCSTYULNLJK-CQSZACIVSA-N 244.334 3.793 30 20 BHED CCCCCCCN[C@@H](C)CC1CCOCC1 776747125 NLHMPKGICRAPBF-AWEZNQCLSA-N 241.419 3.752 30 20 BHED CCC(=NOCCC(F)(F)F)c1ccccc1 777462759 KXTRJHMCXIVWCG-UHFFFAOYSA-N 245.244 3.770 30 20 BHED CC(C)[C@H]1CCCC1=NNCCC(C)(C)C 782903437 VYBJBQAAIMWNCK-GFCCVEGCSA-N 224.392 3.824 30 20 BHED C=CCCN(C)C(=S)Nc1cccc(C)c1C 786082047 FKSYUBRBGOSBMN-UHFFFAOYSA-N 248.395 3.508 30 20 BHED C=CCN(C(=O)[C@@H](CC)CCCC)C(C)C 791128226 WQQQDSNXNSSAJN-ZDUSSCGKSA-N 225.376 3.626 30 20 BHED C=CCCCCC[C@@H](C)NC[C@](C)(O)C(C)C 793542586 ROZODLSFINFGAZ-CABCVRRESA-N 241.419 3.508 30 20 BHED Cc1ccc(COC(=O)CCCCCC#N)cc1 805696508 HYPJGBRPJUNOPQ-UHFFFAOYSA-N 245.322 3.512 30 20 BHED C#C[C@H](NC(=O)C1(CC)CCCCC1)C(C)(C)C 807884140 JPDKPABAZBAJCJ-ZDUSSCGKSA-N 249.398 3.511 30 20 BHED CC(C)(C)C#CC(=O)Nc1ccc(C2CC2)cc1 837512563 MVCNAEYOGJNFDL-UHFFFAOYSA-N 241.334 3.552 30 20 BHED C=C[C@@H](C)ON=C(C)[C@H](C)c1ccccc1 844621537 IZPIKGXJVBNVQT-NEPJUHHUSA-N 217.312 3.757 30 20 BHED C=CC(C)(C)CC(=O)Nc1ccccc1CC 878067195 JLZUKZHBKUPIQB-UHFFFAOYSA-N 231.339 3.790 30 20 BHED C=CC(C)(C)CC(=O)N(CCC)C(C)(C)C 889450742 WJMNGVZJSCAYON-UHFFFAOYSA-N 225.376 3.626 30 20 BHED Cc1ccc(CN[C@H](C)CC(C)(C)C#N)cc1F 924588696 DONJOLYJLKNJAS-GFCCVEGCSA-N 248.345 3.552 30 20 BHED CCCc1ccn(CCC2(C#N)CCCCC2)n1 1117971926 KBFYUNKYCYLGEE-UHFFFAOYSA-N 245.370 3.700 30 20 BHED N#CCC[C@H](Nc1nccs1)c1ccccc1 1162868659 XJCFERIVRIGHRG-LBPRGKRZSA-N 243.335 3.600 30 20 BHED CCN(CCC1CC1)CCC1(C#N)CCCCC1 1169015126 UXFCVEYXHDAAKA-UHFFFAOYSA-N 248.414 3.973 30 20 BHED Cc1ccccc1CNc1cccc(F)c1C#N 26227125 LOLGEAFLYHUVEQ-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CC[C@H](C)[C@@H](C)Nc1cccc(F)c1C#N 36138441 MMUPHIUDQDMMMR-VHSXEESVSA-N 220.291 3.544 30 20 BHED C[C@@H](NCCCCC#N)c1cccc(Cl)c1 42224804 UTZLEOARDBLNKO-LLVKDONJSA-N 236.746 3.684 30 20 BHED C[C@H](c1ccc(C(C)(C)C)cc1)N(C)CCC#N 83219189 SLXRGATYQJTMJW-CYBMUJFWSA-N 244.382 3.891 30 20 BHED CCCCCCC[S@@](=O)c1cccs1 120033211 LTAPIPLMKXNAOX-AWEZNQCLSA-N 230.398 3.826 30 20 BHED CCCCCCCCCCC(=O)N[C@@H](C)C#N 125298985 KDNSMURTCQJIPY-ZDUSSCGKSA-N 238.375 3.545 30 20 BHED C[C@H](NCC1(CC#N)CC1)C1CCCCCC1 150193014 YUXNAPFOEWUIPS-ZDUSSCGKSA-N 234.387 3.629 30 20 BHED CCCC[C@H]1CCC[C@H]1NCCCCC#N 167259548 KPEIXNUDPHIGBG-UONOGXRCSA-N 222.376 3.629 30 20 BHED Cc1ccccc1[C@@H](CC(C)C)NCCCC#N 183253813 LBMAPQNSNCVIGN-MRXNPFEDSA-N 244.382 3.976 30 20 BHED C=CC[C@H](C)[C@@H](C)Nc1ccc(COC)cc1 193420304 RNXYZECQRMEPSO-QWHCGFSZSA-N 233.355 3.846 30 20 BHED C=CCN(Cc1cccs1)[C@@H](C)CC 195003867 LJWZYLWFODYORR-NSHDSACASA-N 209.358 3.535 30 20 BHED C#CCCCN[C@@H]1CCC(C)(C)c2ccccc21 232802841 AHHMKEVQHADFAX-MRXNPFEDSA-N 241.378 3.802 30 20 BHED C=CCC(CC=C)C(=O)N(C)[C@H](C)c1ccco1 268173532 QTEICGRGQQXESR-GFCCVEGCSA-N 247.338 3.567 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(F)cc1O 281463568 DYFHWNBYNUCMRV-CMPLNLGQSA-N 237.318 3.537 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccc(C#N)c(F)c1 281585813 LLTIQFBPIZVMKM-BXUZGUMPSA-N 246.329 3.703 30 20 BHED C=CCC(C)(C)C(=O)N(CC)Cc1ccccc1 292326614 BVXWKVZMILHJAS-UHFFFAOYSA-N 245.366 3.637 30 20 BHED Cc1cnccc1S[C@@H](C#N)C1CCCCC1 292785127 MYDMFBBVJLOZJK-AWEZNQCLSA-N 246.379 3.955 30 20 BHED C=C[C@H](C)Nc1cc2ccccc2c(Cl)n1 301615344 UZFMFSMFHGVXML-VIFPVBQESA-N 232.714 3.875 30 20 BHED CC[C@@]1(c2ccc(Cl)c(Cl)c2)O[C@@H]1C#N 306585875 KKQXJAIRAGRKJY-MNOVXSKESA-N 242.105 3.521 30 20 BHED C=C(CC)CN[C@H]1CCCC[C@@H]1SCC 309045367 ODHHHDAMKMEZSF-STQMWFEESA-N 227.417 3.607 30 20 BHED Cc1ccc(Cl)cc1N[C@H]1CC[C@@H](C#N)C1 309719704 VMIIAIOSTLTWDW-PWSUYJOCSA-N 234.730 3.753 30 20 BHED Cc1nc(N[C@@H]2CCCC(C)(C)C2)ccc1C#N 310954409 ALGZGSGFCYXPPR-CYBMUJFWSA-N 243.354 3.642 30 20 BHED Cc1cc(/C(O)=N/[C@@](C)(C#N)CC(C)C)c(C)o1 330765834 UGKSSBGVIMLDMS-CQSZACIVSA-N 248.326 3.529 30 20 BHED CC[C@H](CC#N)NCc1ccc(C2CCC2)cc1 352913385 HWZPECJCBPJMEH-MRXNPFEDSA-N 242.366 3.736 30 20 BHED C[C@@H]1CCC[C@@H](CN2CCC(CCC#N)CC2)C1 399296174 RHYUAGXAAQDQMN-GDBMZVCRSA-N 248.414 3.828 30 20 BHED C=CC(C)(C)C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C 410538065 ACMHTVDTNPJGNP-RYUDHWBXSA-N 237.387 3.530 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@@H](CC)CC(C)C 410772900 ARSWKZCLWILQQJ-KBPBESRZSA-N 237.387 3.626 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCC[C@@H](C)C1 425455200 HKNQUAFAYQYRMC-OLZOCXBDSA-N 237.387 3.626 30 20 BHED C=CCCN1CCC(c2ccc(F)cc2C)CC1 428732789 NVULSSWXRIOPQK-UHFFFAOYSA-N 247.357 3.890 30 20 BHED CC[C@@H](NC[C@H]1CC1(C)C)c1ccc(C#N)cc1 447581813 WIIWYPBVDWFQJK-HUUCEWRRSA-N 242.366 3.645 30 20 BHED CC(C)[C@@H]1C[C@H]1CN[C@@H](C)c1ccc(C#N)cc1 453361212 QSXDGJZHVNSVPD-RCBQFDQVSA-N 242.366 3.501 30 20 BHED C=CCCCC(=O)N[C@H](C)CC1CCCCC1 470485682 GAGFCZFTHDIFBQ-CYBMUJFWSA-N 237.387 3.818 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCC1(C)C 476265768 XBMZEMRIIRQPTQ-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C=CCCCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 479517612 PNLGHAVHBDJDDL-RRFJBIMHSA-N 249.398 3.818 30 20 BHED C=CCCCCCN1CCC[C@H]1c1cc(C)no1 486809486 NUORYXFQJXFJRD-AWEZNQCLSA-N 248.370 3.866 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@H](CCC)C(C)C 490087387 IEFUCSNLFNCDSF-ZDUSSCGKSA-N 239.403 3.777 30 20 BHED C=CCN(C)Cc1c(C)ccc2ccccc12 494700646 WWNFKADBBPKBLS-UHFFFAOYSA-N 225.335 3.766 30 20 BHED C=CCCN1CC[C@H](Cc2ccccc2)[C@@H]1C 530866275 IAJYVYLTMSHGDR-GOEBONIOSA-N 229.367 3.516 30 20 BHED C=CC[C@@H](C)N[C@H](Cc1cccc(C)c1)C1CC1 540171464 XOWYAWHTHWEMBF-RHSMWYFYSA-N 243.394 3.870 30 20 BHED C=CCCCC[C@@H](C)N[C@H](C)c1ccnc(O)c1 560140065 VLYHPHOXXLQCDP-CHWSQXEVSA-N 248.370 3.573 30 20 BHED C=CCC[C@H](N[C@H]1CCC[C@H](F)C1)C1CC1 565657086 XDLOJILMYMAEJE-IHRRRGAJSA-N 225.351 3.602 30 20 BHED C=CCCSCCN[C@@H]1CCc2ccccc21 594708722 CCWIRLAHNYMUKV-OAHLLOKOSA-N 247.407 3.573 30 20 BHED COc1ccccc1[C@@H](C)S[C@H](C#N)C1CC1 601077594 WJLZGACRHYQPBV-QMTHXVAHSA-N 247.363 3.792 30 20 BHED C=CC[C@@H](C)[C@H](C)NC1(C2CCC2)CC1 652272511 OHHGEQOWNAIZEO-NEPJUHHUSA-N 207.361 3.509 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCS[C@H]1C 658042282 CACFLFRMHJJERM-DGAVXFQQSA-N 239.428 3.605 30 20 BHED C=CC[C@@H](C)C(C)=NNc1cccc([N+](=O)[O-])c1 727776569 APGLDGFSMNMYDR-SNVBAGLBSA-N 247.298 3.595 30 20 BHED Cc1ccc(NN=C(CC(C)C)CC(C)C)nn1 729936142 IRSWHLKMZSWHIC-UHFFFAOYSA-N 248.374 3.645 30 20 BHED CCO[C@@H]1CC(=NNc2cccc(C)c2)C1(C)C 736427738 CZZNDECYIIXBEA-CQSZACIVSA-N 246.354 3.598 30 20 BHED O=C(/C=C\c1ccccc1F)C1CCCCC1 747003882 RWQLGUBSCHKMJD-KHPPLWFESA-N 232.298 3.988 30 20 BHED Cc1cc(F)ccc1C=NNc1cccc(F)c1 750936494 UHDXCAPXALHEQX-UHFFFAOYSA-N 246.260 3.719 30 20 BHED N#Cc1ccc(NN=CCCc2ccccc2)cc1 755651352 JLWSZDZZDFMVMU-UHFFFAOYSA-N 249.317 3.589 30 20 BHED C#CCCCC(=O)O[C@@H](CC)c1ccc(C)cc1 758918334 RGSXZADZUHGFPY-HNNXBMFYSA-N 244.334 3.793 30 20 BHED C#CCCCN(C)[C@@H](C)c1ccc(C)cc1C 766896063 WESGQUBYTXGTAS-HNNXBMFYSA-N 229.367 3.710 30 20 BHED C=CCN(C)C(=S)Nc1cccc(C(C)C)c1 777470550 DXARQXMYKZKPFX-UHFFFAOYSA-N 248.395 3.625 30 20 BHED CC1(C)CCC(=NNc2ccccc2F)C1 783821097 KNPZOVAZJSPBHS-UHFFFAOYSA-N 220.291 3.804 30 20 BHED CCC(=NO[C@@H]1CCCCO1)c1cccc(C)c1 794923488 PVFMVZRZJODBGS-OAHLLOKOSA-N 247.338 3.652 30 20 BHED CCC(=NOC/C=C\Cl)c1cccs1 811671282 QCSPIDUEKAAJFW-BEANYCIGSA-N 229.732 3.631 30 20 BHED C[C@@H](C=NOC1CCC1)c1cccc(Cl)c1 812235383 UKRRKKPKSCYKGV-JTQLQIEISA-N 237.730 3.998 30 20 BHED CC(C)CCC=NOCc1ccccc1 814792808 XMQOJNSBVJITCZ-UHFFFAOYSA-N 205.301 3.625 30 20 BHED C=CCC(C)(C)C(=O)OC1CCC(F)(F)CC1 860974627 OMCDZAFSJVRAIH-UHFFFAOYSA-N 246.297 3.710 30 20 BHED CC(CCC(C)C)=NNc1ccccc1 916245847 FMDNYAHBAKUMDU-UHFFFAOYSA-N 204.317 3.911 30 20 BHED CCCCN(C)CCCCC1(C#N)CCC1 929125008 OUMQWOMXDSCYET-UHFFFAOYSA-N 222.376 3.582 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1cccc2cc[nH]c12 935454513 AKXKRIDREBUJPY-NSHDSACASA-N 242.322 3.709 30 20 BHED C[C@H](CCC1CC1)Nc1ccc(OCC#N)cc1 1338114057 XFCDONLZGKVVPM-GFCCVEGCSA-N 244.338 3.580 30 20 BHED C=C(C)CCC(=O)N1CCC[C@@H](C(C)C)CC1 1338404032 PGBKOTWCJINFAL-CQSZACIVSA-N 237.387 3.627 30 20 BHED Clc1ccccc1NN=Cc1ccccc1 17328721 XXTTWPKPCRYKNU-UHFFFAOYSA-N 230.698 3.786 30 20 BHED CCCCCCCC(=O)Nc1ccccc1N 59082164 YMGSWHROSDXHFN-UHFFFAOYSA-N 234.343 3.568 30 20 BHED CCCc1ccc(Nc2cccc(C#N)n2)cc1 81617308 CPMDHDUKEYYQOX-UHFFFAOYSA-N 237.306 3.649 30 20 BHED CC(C)N(Cc1cccs1)CC1(CC#N)CC1 88259369 RYYXAYVBNHRAEY-UHFFFAOYSA-N 248.395 3.652 30 20 BHED C=CC[C@H](C)NC(=O)Nc1c(C)cc(C)cc1C 116996130 QJXGPDXWLPTVIO-ZDUSSCGKSA-N 246.354 3.698 30 20 BHED C=CC[C@@H](C)NC(=O)C[C@@H](CC)CCCC 117261907 VFMVZJZZSFVCSA-OLZOCXBDSA-N 225.376 3.674 30 20 BHED C=C(C)CSCCOc1ccccc1F 127360564 KUBRUGKXZLELJY-UHFFFAOYSA-N 226.316 3.514 30 20 BHED N#CCCCSc1ccc(C#N)cc1Cl 154165870 XRWKJMDIAKYJNW-UHFFFAOYSA-N 236.727 3.608 30 20 BHED C[C@H]1C[C@@H](NCc2ccc(C#N)s2)CC[C@H]1C 168964336 QCEXOTREXQCVQG-WOPDTQHZSA-N 248.395 3.534 30 20 BHED C#CCCSc1nc(-c2ccccc2)c(C)[nH]1 187117211 SGMRDBJOGOFMGW-UHFFFAOYSA-N 242.347 3.501 30 20 BHED Cc1ccc(C)c(/C=C\C(=O)c2ccco2)c1 255127719 XRVDHIGMEHPZRJ-FPLPWBNLSA-N 226.275 3.793 30 20 BHED C=C[C@@](C)(CC)c1nc([C@@H](C)SCC)no1 290198117 XDEOUIGUVZSGSW-SKDRFNHKSA-N 240.372 3.737 30 20 BHED C[C@H]1CCC[C@H](COc2ccc(C#N)cc2)C1 302250030 AAHAWEONNYZKAS-JSGCOSHPSA-N 229.323 3.763 30 20 BHED C[C@@H]1CCC[C@@H](COc2cccc(F)c2C#N)C1 305990950 SVTCIGCBIBIOIK-VXGBXAGGSA-N 247.313 3.902 30 20 BHED C=CCCSCc1ccc(-n2cccn2)cc1 339091731 RIKXNSCONCJHSO-UHFFFAOYSA-N 244.363 3.682 30 20 BHED C=C(C)CCNc1ccc(-n2ccc(C)n2)cc1 345340683 HRWQBSOKRSVTRS-UHFFFAOYSA-N 241.338 3.559 30 20 BHED Cc1ccc(/C=C/c2ccncc2C#N)cc1F 349103798 CXNVJSOGAGXEOJ-SNAWJCMRSA-N 238.265 3.571 30 20 BHED C=CCC1(C(=O)N2CC[C@H](C)C(C)(C)C2)CCC1 359908426 XISXABBXAQFYHP-ZDUSSCGKSA-N 249.398 3.627 30 20 BHED C=CC[C@H](C)[C@@H](C)NC[C@H](SC)C(C)(C)C 390658476 ROJWULFPFOMNOM-XQQFMLRXSA-N 243.460 3.954 30 20 BHED C=CCCC[C@@H](C)N[C@H]1CCCc2cccnc21 398190088 RDKOEUILFITPTD-HIFRSBDPSA-N 244.382 3.793 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H](CC)C1 424685173 ONNVMUSFCFKLKR-STQMWFEESA-N 237.387 3.674 30 20 BHED C=C[C@H](C)N[C@H]1CC[C@@](C)(c2ccccc2)C1 438201935 RCARZONAKPRUIT-CWRNSKLLSA-N 229.367 3.661 30 20 BHED C/C=C/CSCc1ccc(C#N)c(C)c1 447414947 UTSOJWFXIWJNBD-ONEGZZNKSA-N 217.337 3.676 30 20 BHED C=CCCCCNC(=O)c1sccc1C1CC1 471671450 WTKDUZDFEZQVTO-UHFFFAOYSA-N 249.379 3.712 30 20 BHED C=CCC[C@H](CC)N[C@@H](CCOC)C(C)(C)C 511036328 FRUFZGHZBGINLM-KBPBESRZSA-N 241.419 3.772 30 20 BHED C=CCN1CCCCC[C@@H]1c1ccccc1 519220006 WITZRGTVPOLVEY-OAHLLOKOSA-N 215.340 3.790 30 20 BHED C=C[C@](C)(CC)c1nc(-c2ccccc2C)no1 522032639 ISJSLPPQCXIDTE-OAHLLOKOSA-N 242.322 3.899 30 20 BHED C=CC[C@H](C)[C@H](C)NCC(O)(CCC)CCC 531968572 QHVHZSGGQCCMMC-KBPBESRZSA-N 241.419 3.508 30 20 BHED C=CCCC[C@@H](C)NC(=O)C(CC=C)CC=C 537316948 FGHVFBJWXWXLRG-CYBMUJFWSA-N 235.371 3.616 30 20 BHED CC[C@@H](c1ccccc1)N1CCC(CC#N)CC1 541023336 PELLWQOLROBGIS-INIZCTEOSA-N 242.366 3.763 30 20 BHED C=CCOCCS[C@@H]1CCCc2ccccc21 555014803 NAYGCJOPSJMGOZ-OAHLLOKOSA-N 248.391 4.000 30 20 BHED C=CCC[C@@H](C)NCC[C@H]1C[C@H](C)O[C@H](C)C1 555226201 UEVYWXNEEZXGGR-APIJFGDWSA-N 239.403 3.524 30 20 BHED C=CCCCCSCCOC1CCC1 561244440 ILJRUMPIIRWWFE-UHFFFAOYSA-N 214.374 3.645 30 20 BHED C=CC[C@H](C)NC(=O)CC(C1CCC1)C1CCC1 625698673 WTVJMEZTBMJZDL-LBPRGKRZSA-N 249.398 3.674 30 20 BHED C=CCC(C)(C)c1noc(CC(C)(C)CC)n1 645627064 BNYMXPCHXWORPF-UHFFFAOYSA-N 236.359 3.902 30 20 BHED C=CCCC(=O)Nc1ccc(Cl)c(C)c1 654248908 XBICWWBSWCRROU-UHFFFAOYSA-N 223.703 3.553 30 20 BHED C=CCCCCCN1CC[C@@H](c2ccco2)C1 683780784 MGUYYDVLPGMZRQ-CQSZACIVSA-N 233.355 3.815 30 20 BHED Cc1cc(C)cc(CN[C@H](C)CC(C)(C)C#N)c1 695787365 MGKLNYOTTQXUKZ-CQSZACIVSA-N 244.382 3.721 30 20 BHED C=C(C)CCOC(=O)C[C@@H](C)CC(C)(C)C 744304731 ZWQSYVSKWJLCHG-GFCCVEGCSA-N 226.360 3.958 30 20 BHED CC(C)ON=Cc1cccc(Cl)c1Cl 761853989 DAWTWKIAXHSXDR-UHFFFAOYSA-N 232.110 3.752 30 20 BHED C=CCN(Cc1cccc2cc[nH]c12)C(C)C 768546747 DUWFDFDULXPTQI-UHFFFAOYSA-N 228.339 3.564 30 20 BHED C#CC[C@H](N[C@@H]1CCC[C@@H](C)C1)c1ccccc1 773117826 XNHCBJWMSUFUCL-OIISXLGYSA-N 241.378 3.919 30 20 BHED CC1(C)CCCC1=NNc1cc(Cl)ccn1 777905948 CVYLHLJURHJNQX-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C(/C=C/c1ccccc1)=NNC1CCCCC1 786041006 UEVRQEFSPYRAOU-DOSQDUBCSA-N 228.339 3.608 30 20 BHED Cc1ccc(SCC2(C#N)CCCC2)nc1 806587770 USBORBMLIZZZFD-UHFFFAOYSA-N 232.352 3.566 30 20 BHED CCC(=NOC/C=C\Cl)c1cccc(C)c1 811670845 GFUCJJPWKXAZLH-JQYMYMROSA-N 237.730 3.878 30 20 BHED C[C@H]1CC(C)(C)CC1=NN[C@H](C)c1ccncc1 819816512 KICGXYZYIULQJA-NWDGAFQWSA-N 245.370 3.544 30 20 BHED C=CCC[C@H](NC/C=C/Cl)c1ccco1 903443147 CCJOFAHCMDVFDS-BWNDKRECSA-N 225.719 3.629 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1cccc(F)c1C 933931926 OIYCOIWDTRNXBM-NSHDSACASA-N 235.302 3.675 30 20 BHED CCCCN(CCCC)C[C@@H](C)CCC#N 1658251684 WLKNMUCMWHVENQ-AWEZNQCLSA-N 224.392 3.828 30 20 BHED C=CCCCSc1nnc(C2CC2)n1C1CC1 117549119 WSEMOOWKKXSLJO-UHFFFAOYSA-N 249.383 3.549 30 20 BHED C=CCC[C@@H](C)N[C@H](C)CCc1ccc(O)cc1 130575150 PJGDWIVBELGNRP-ZIAGYGMSSA-N 247.382 3.658 30 20 BHED Cc1cc(C#N)ccc1CN[C@H]1CCCC1(C)C 165346236 NURIPZBPAGRDLU-HNNXBMFYSA-N 242.366 3.535 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cccc(F)c1C 188605648 IRUORBNZKZZJLV-AWEZNQCLSA-N 235.302 3.675 30 20 BHED C[C@H]1CCCCC[C@@H]1NCC(C)(C)CCC#N 229697677 QEBGTNGLYGGTEN-KBPBESRZSA-N 236.403 3.875 30 20 BHED CC(C)(CCC#N)CN[C@@H]1CCCC(C)(C)C1 229700493 PKVGFVLDVKXCCD-CYBMUJFWSA-N 236.403 3.875 30 20 BHED Cc1cccc(/C=C\C(=O)c2cccnc2)c1C 255047534 ZPJJKOWGDMOTFN-HJWRWDBZSA-N 237.302 3.595 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cscc1C 276012619 QMHWITMCTUMKTC-GFCCVEGCSA-N 223.341 3.597 30 20 BHED Cc1ncsc1CSCCC(C)(C)C#N 290829168 UHLVYLZUFOAOHL-UHFFFAOYSA-N 240.397 3.625 30 20 BHED C[C@H](NC[C@H]1CCC[C@H]1C)c1cccc(C#N)c1 300310651 UMTGHVSSSJEXKI-DVOMOZLQSA-N 242.366 3.645 30 20 BHED C[C@H]1CCCC[C@]1(C=O)C/C=C/Cl 306459265 DSMVETFFUQCFGV-ZWWBIEGCSA-N 200.709 3.524 30 20 BHED Cc1cc(C#N)cc(NCC(C)(C)CCC#N)c1 308109274 LCVPIPZBJQNROX-UHFFFAOYSA-N 241.338 3.609 30 20 BHED CC[C@](C)(C#N)c1nc(C2CCC(C)CC2)no1 346277880 RGGRNIHBAXLRGV-QIMFLAQGSA-N 247.342 3.555 30 20 BHED C=C(C)CCN(C)[C@H]1CC[C@H](SCC)C1 352043596 GCOUMUILBHJENF-STQMWFEESA-N 227.417 3.559 30 20 BHED C=C(C)CNc1ccc(F)cc1OC(C)C 381240851 NBPJBWIGCWAUIL-UHFFFAOYSA-N 223.291 3.601 30 20 BHED C=C(C)CCN[C@H](C)CCc1ccc(OC)cc1 386781055 MHHNTDUJTOSLDL-CQSZACIVSA-N 247.382 3.572 30 20 BHED C=CCCN[C@@H](C)c1ccc(C2CC2)cc1 419324158 ACZDBWLEHOMUNS-LBPRGKRZSA-N 215.340 3.791 30 20 BHED CC(C)C[C@H](C)C[C@H](C)NCC1(CC#N)CC1 430731430 WIAMZHMECFDFJB-KBPBESRZSA-N 236.403 3.731 30 20 BHED C=CCN(C)[C@H](c1ccc(F)cc1)C(C)C 434611796 KWRRYWRJYNFUCU-AWEZNQCLSA-N 221.319 3.641 30 20 BHED CC[C@]1(C)CCN([C@H](C)c2cccc(C#N)c2)C1 442680933 OHJBDTCHIWVSGG-CZUORRHYSA-N 242.366 3.741 30 20 BHED C=CCCNc1ccccc1C(C)(F)F 453134957 KLZLHNUWMYSUOI-UHFFFAOYSA-N 211.255 3.786 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccccc1N(C)C 453312154 UTFIOVMIYJSKLY-CYBMUJFWSA-N 246.398 3.615 30 20 BHED C[C@H](NCC(C)(C)CC#N)[C@H]1CCCC[C@H]1C 459738043 XHUKSIRWTWEAEM-RDBSUJKOSA-N 236.403 3.731 30 20 BHED N#Cc1cccc(NCCC2=CCCCCC2)n1 463734256 OSJMKNXFKIBEJX-UHFFFAOYSA-N 241.338 3.646 30 20 BHED C=CCCC1(C(=O)N[C@H](C)C2CCCCC2)CC1 476149080 MLVQNPBSKYTWBE-CYBMUJFWSA-N 249.398 3.818 30 20 BHED C=C(CC)CN(C#N)c1cccc(Cl)c1 478762731 OTYXIPJUTSNEDP-UHFFFAOYSA-N 220.703 3.594 30 20 BHED C=CC[C@H](C)[C@@H](C)NC1(Cc2ccccc2)CC1 480671185 RCZCTYADUITBQY-LSDHHAIUSA-N 243.394 3.952 30 20 BHED N#Cc1ccc(OCc2cc3ccccc3o2)cc1 486897428 NLLWJPHNLLCTBQ-UHFFFAOYSA-N 249.269 3.883 30 20 BHED C=C(C)CN(CC)Cc1ccc(OC(C)C)cc1 534327199 GZEDCVBIPZPTBX-UHFFFAOYSA-N 247.382 3.872 30 20 BHED C=CCC[C@H](NCCc1ccccc1C)C1CC1 540160321 UIFVRQPDSDSGEA-KRWDZBQOSA-N 243.394 3.872 30 20 BHED C=C(C)CSCCc1noc2ccccc12 594559089 MGGLCNFOTNQVSX-UHFFFAOYSA-N 233.336 3.680 30 20 BHED C=C(C)CN(C)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 613305222 OZTIGHVFLUPHJP-SHTZXODSSA-N 249.398 3.627 30 20 BHED CC(=O)[C@@H](C)CCSc1ccc(C#N)c(C)c1 657264203 JRSRXSVIVXWEAP-JTQLQIEISA-N 247.363 3.574 30 20 BHED C/C=C/CSCCCOc1ccc(C#N)cc1 731040487 VOBMSVMDPZQBEW-NSCUHMNNSA-N 247.363 3.636 30 20 BHED Cc1cccc(NN=Cc2ccc(C)c(F)c2)c1 731485893 GSRYQEHUBNTZBL-UHFFFAOYSA-N 242.297 3.889 30 20 BHED CC(CCCC(C)C)=NOCc1cccnc1 746587989 VTGXRSODORRCNF-UHFFFAOYSA-N 234.343 3.800 30 20 BHED CCCCCCCCNC(=O)[C@H](CC)SC 754854449 OGADXSPUBWBKNH-LBPRGKRZSA-N 245.432 3.605 30 20 BHED C#CC[C@@H](NCc1ccccc1C)c1ccccc1 756995908 MGKKVDDZKSTTLH-GOSISDBHSA-N 249.357 3.849 30 20 BHED CCCCCC[C@@H]1CCC[C@@H]1NC[C@H](C)C#N 757906227 LOWURFBQXZKTSO-KFWWJZLASA-N 236.403 3.875 30 20 BHED CC(=NNc1ccccc1Cl)C(F)(F)F 761745356 WDLBPVKBRXHMED-UHFFFAOYSA-N 236.624 3.690 30 20 BHED CC[C@@H]1CC[C@@H](C)CC1=NNc1cccc(F)n1 795006426 HXNWAFKTZIZNES-GHMZBOCLSA-N 249.333 3.835 30 20 BHED CCc1cccc(C)c1NN=C(C)CCCCO 799494223 FFEGELSDZACASP-UHFFFAOYSA-N 248.370 3.508 30 20 BHED CC(=NOCCC1CC1)c1cc(C)sc1C 814246212 WESPLFAMZLOHGX-UHFFFAOYSA-N 237.368 3.906 30 20 BHED CC(C)CCC=NNc1ccc(F)cc1F 814686722 XPTYTXOAWQCBHO-UHFFFAOYSA-N 226.270 3.799 30 20 BHED CC(C)c1ccccc1C=NNCC1CCCC1 848411560 SABUMWKYFDLAQA-UHFFFAOYSA-N 244.382 3.924 30 20 BHED Clc1cc(NN=C2CCC3(CC2)CC3)ccn1 853394841 AHYVNACAEAUCSU-UHFFFAOYSA-N 249.745 3.857 30 20 BHED C[C@H]1C[C@@H]1C=NNc1cccc(F)c1Cl 863158807 RQQSUZUHOIXVFB-JGVFFNPUSA-N 226.682 3.533 30 20 BHED C=C(C)CCN[C@H](CC)c1cccc(C#N)c1 903008261 MYJFBFUGEYEDOX-OAHLLOKOSA-N 228.339 3.565 30 20 BHED C=C[C@H](CC)CC(=O)N(C)[C@@H](C)c1ccccc1 929530888 PZEQJRMZQBZIBZ-UONOGXRCSA-N 245.366 3.808 30 20 BHED N#C[C@H]1CC[C@@H](N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 1621404894 ZYSGJLNPZVNSDK-AALSBFMBSA-N 246.398 3.627 30 20 BHED N#Cc1ccccc1CSc1ccccc1F 19847578 UGMAIDQQIIKBGE-UHFFFAOYSA-N 243.306 3.990 30 20 BHED CC[C@H](C)CN(C)c1cc(Cl)ccc1C#N 62789896 BBOBXGCOIGAHPF-JTQLQIEISA-N 236.746 3.694 30 20 BHED CC(C)(C)CC(C)(C)Nc1cccc(C#N)n1 81618769 CPBCAIUCXXLPHN-UHFFFAOYSA-N 231.343 3.580 30 20 BHED C[C@@H]1CC[C@@H](Nc2cccc(C#N)c2)[C@H](C)C1 85085106 WFZVBEHHVPCSAG-LALPHHSUSA-N 228.339 3.795 30 20 BHED CC[C@H](CC#N)N[C@@H]1CCc2cc(Cl)ccc21 127463474 LQFMMTMWZAZTMS-TZMCWYRMSA-N 248.757 3.609 30 20 BHED C=CC[C@@H](C)NCc1ccc(OCCCC)cc1 134749180 PWGJWFGZBLZAFI-CQSZACIVSA-N 247.382 3.920 30 20 BHED C=C(C)CN[C@@H](CCC)c1ccccc1 160187095 FRONZGNAAMJCDC-AWEZNQCLSA-N 203.329 3.694 30 20 BHED C=CCCN[C@H](C)c1ccc(OCCC)cc1 161736967 VYGOZKLQSYGUSQ-CYBMUJFWSA-N 233.355 3.702 30 20 BHED CCCCCCCC(=O)N1CC[C@H](C)[C@H]1C 177145765 HCXJCNPEGGVITJ-QWHCGFSZSA-N 225.376 3.604 30 20 BHED C=CCCCC(=O)Nc1nccc2sccc12 182826011 PLDWUFVIGDDVNI-UHFFFAOYSA-N 246.335 3.591 30 20 BHED CCC1(CN[C@@H]2CCC[C@H](C#N)C2)CCCC1 185855881 RFVROLUKCSCRTI-UONOGXRCSA-N 234.387 3.629 30 20 BHED C[C@@H](SC[C@H]1CCCO1)c1cccc(C#N)c1 190783598 JAVQBMHGHWLIQR-BXUZGUMPSA-N 247.363 3.531 30 20 BHED C#CCCCC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 192137493 NWEWSWKPGDYNRY-KBPBESRZSA-N 249.398 3.511 30 20 BHED C=CCSCCN[C@H](C)c1ccc(C)c(C)c1 221942431 RBHQYMMFEZSVIF-CQSZACIVSA-N 249.423 3.873 30 20 BHED CC[C@@H](C)CSc1ccccc1C#N 228559311 YHWLYHZNUNIMRW-SNVBAGLBSA-N 205.326 3.696 30 20 BHED CCCN(CCC)CCCCC(C)(C)C#N 233016836 ZKGHWFQHQCWACZ-UHFFFAOYSA-N 224.392 3.828 30 20 BHED C#CC[C@@H](N[C@@H](C)c1ccco1)c1ccccc1 271566304 VDFUGRWFKYRREZ-DZGCQCFKSA-N 239.318 3.695 30 20 BHED C=C(C)CCN(C)[C@@H](C)c1sc(C)nc1C 274765511 FVDKFFCLPCZIFD-NSHDSACASA-N 238.400 3.719 30 20 BHED CC1=CC[C@H](Nc2ccc(CC#N)cc2)CC1 284044534 LYEWEBCLFBLZAY-AWEZNQCLSA-N 226.323 3.663 30 20 BHED C=CCC[C@@H](NCC1(CC)CCC1)C1CC1 310002813 FKWMCKZUFIXCHT-CQSZACIVSA-N 221.388 3.901 30 20 BHED C=CCC[C@@H](CC)Nc1cccc(C#N)c1 310007456 HGVHLNCIOQLMJS-CYBMUJFWSA-N 214.312 3.715 30 20 BHED CC1(C)CCC[C@@H]1CNCc1ccc(C#N)s1 388432150 FVDLPZICGVQNCU-LLVKDONJSA-N 248.395 3.536 30 20 BHED C#CCCCNCc1csc(Cl)c1Cl 393682621 LDBZIFRMWQGGJM-UHFFFAOYSA-N 248.178 3.558 30 20 BHED C[C@@H](C#N)Sc1ccc2c(c1)CCCC2 421844174 SJJFDICWNBVPBI-JTQLQIEISA-N 217.337 3.570 30 20 BHED C=C(C)C(C)(C)C(=O)NC1C[C@@H](C)C[C@H](C)C1 424690078 UEXPMTISBCABIJ-RYUDHWBXSA-N 237.387 3.530 30 20 BHED CC#CCSC[C@H](C)c1ccccc1 464075099 POJUVIVKEALNPB-LBPRGKRZSA-N 204.338 3.547 30 20 BHED C[C@H](C#N)CN(C)CCC1C[C@H](C)C[C@@H](C)C1 464866664 DVMVELRCFHMAEA-MGPQQGTHSA-N 236.403 3.540 30 20 BHED C=C(C)CN(CC)[C@@H](C)c1cccc(C)c1 488611131 PVPCIFYVQIJZQC-AWEZNQCLSA-N 217.356 3.954 30 20 BHED COc1ccc(C#N)cc1NC1CCC(C)CC1 501006210 TWHOCSSGIDKAII-UHFFFAOYSA-N 244.338 3.557 30 20 BHED CC(C)=CCSc1nc(C)cc(C)c1C#N 514875654 RPULXCQFHLYZQF-UHFFFAOYSA-N 232.352 3.628 30 20 BHED CCC(CC)N(Cc1cccc(C#N)c1)C1CC1 517125655 SXFBXPMOLYXXNP-UHFFFAOYSA-N 242.366 3.711 30 20 BHED C=CCCc1nc(CCC2CCCCC2)no1 545637987 MLZMVUKBYUIGSY-UHFFFAOYSA-N 234.343 3.701 30 20 BHED C=CCCC(=O)N[C@@H]1CCC[C@@H]1CCC(C)C 590030857 ZHAILPYKEGKKKY-ZIAGYGMSSA-N 237.387 3.674 30 20 BHED C[C@@H]1CCCC[C@@H]1c1noc(CCCCC#N)n1 594541027 WHTFUUVEUIAMGC-NEPJUHHUSA-N 247.342 3.600 30 20 BHED CCCCC(CC)=NNc1ccc([N+](=O)[O-])cc1 732924592 ZRYHXJFOUJSUNE-UHFFFAOYSA-N 249.314 3.963 30 20 BHED C=CCCCOC(=O)/C=C/Sc1ccccc1 735526830 BJNTVFTUFYQUAJ-ZRDIBKRKSA-N 248.347 3.802 30 20 BHED C#CCCN(CC1CCC1)[C@@H](C)c1ccccc1 760843167 HUOBXKJJFBNTAN-HNNXBMFYSA-N 241.378 3.873 30 20 BHED CON=C1CCC(C2CCCCC2)CC1 766432859 CTCUIQMVXXUYTD-UHFFFAOYSA-N 209.333 3.759 30 20 BHED CCCNN=C1C[C@@H](c2ccccc2)C1(C)C 768484090 SQDNQCNQEZELER-ZDUSSCGKSA-N 230.355 3.556 30 20 BHED C=CCCC(CC)=NNCC(CC)CC 774470131 FJBZJWVZNWHQSV-UHFFFAOYSA-N 210.365 3.744 30 20 BHED CCCCCC(=O)O[C@H](C#N)C1CCCCC1 776359236 DLMNWIQJVGOSAG-CYBMUJFWSA-N 237.343 3.582 30 20 BHED CCCCNN=C(C)C[C@H](C)CC(C)C 779772236 GPSPPJBEIYTFNU-GFCCVEGCSA-N 212.381 3.824 30 20 BHED C1CCC(NN=C2CCC[C@@H](C3CC3)C2)CC1 786042158 LVABYIYBMOAHCZ-CYBMUJFWSA-N 234.387 3.865 30 20 BHED C=CCCN(C)Cc1cc(C(C)C)c(C)cc1O 786102471 QDKOXHZCASTGQV-UHFFFAOYSA-N 247.382 3.832 30 20 BHED C=CCCCOC(=O)c1scc(C)c1Cl 791598048 OOQJJGSFNFXSLR-UHFFFAOYSA-N 244.743 3.833 30 20 BHED C=CCC1(C(=O)O[C@H](C)CC(C)C)CCC1 791784045 NWZRXNXVAQQBMZ-GFCCVEGCSA-N 224.344 3.711 30 20 BHED CC(C)[C@H](C=NOCC(F)F)c1ccccc1 794535393 SIMUAUBIJNKHEE-LBPRGKRZSA-N 241.281 3.694 30 20 BHED c1ccc(CON=C2CCC23CCC3)cc1 799874747 YKIHJSFWJFXANM-UHFFFAOYSA-N 215.296 3.523 30 20 BHED COc1ccc([C@@H](C)C(C)=NOCC2CC2)cc1 814240938 BTYZKJGGJUWOFR-NSHDSACASA-N 247.338 3.601 30 20 BHED Cl/C=C\CON=C1CCCC12CCCC2 814934193 OCXGNBHDBXEGBD-SIDWHCAASA-N 227.735 3.856 30 20 BHED CC(CC(C)(C)C)=NNc1nc2ccccc2[nH]1 834921319 RZKSOOMIXFWNDR-UHFFFAOYSA-N 244.342 3.787 30 20 BHED Fc1cccc(NN=C2CCCC23CCC3)c1 834944491 RFKNYEYBDJUDIQ-UHFFFAOYSA-N 232.302 3.948 30 20 BHED C=CCCCC(=O)N1CCCCCCCC1 836923872 UWWSMRBCADBFTE-UHFFFAOYSA-N 223.360 3.526 30 20 BHED Cc1cc(Cl)ccc1CSCCC#N 840212830 KPYFWGWBBLLMDI-UHFFFAOYSA-N 225.744 3.795 30 20 BHED C#CCCCN(C)[C@@H](C)CSc1ccccc1 844360049 MKQDDIYRVWCWNU-AWEZNQCLSA-N 247.407 3.512 30 20 BHED C[C@H]1CCCCN1N=Cc1coc2ccccc12 853380740 WKKJTJKGFNDKHC-LBPRGKRZSA-N 242.322 3.641 30 20 BHED C#CCCCCCC(=O)N1C[C@H](CC)CC[C@H]1C 855932105 LOXKKBUOHSUHOL-HUUCEWRRSA-N 249.398 3.607 30 20 BHED CCC(C#N)(CC)C(=O)Oc1cc(C)cc(C)c1 860454191 GSMWWNYKOORBRV-UHFFFAOYSA-N 245.322 3.539 30 20 BHED CCCCCCCC(=O)N1C2CCC1CC2 887572466 JLABFEMIYRTODH-UHFFFAOYSA-N 223.360 3.500 30 20 BHED CC(=NNc1ccccc1)c1ccc(F)c(F)c1 916247322 PJJXJNTVAAOVNX-UHFFFAOYSA-N 246.260 3.801 30 20 BHED Cc1ccc(C)c(NN=Cc2ccc(C)o2)c1 916345486 BATHYUPFXVNXHP-UHFFFAOYSA-N 228.295 3.651 30 20 BHED C=C(C)CCC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 1338403416 LENBHPVFWHBFLF-MCIONIFRSA-N 235.371 3.522 30 20 BHED C=C(C)CCC(=O)N1CCC[C@H](CC(C)C)C1 1346906799 BELCGAPNLBIHDY-CQSZACIVSA-N 237.387 3.627 30 20 BHED C=C(C)CCC(=O)N1CC[C@@H](CC(C)(C)C)C1 1353701775 QXMKZWQFCZSZAK-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C[C@@H]1CN(CCC2(C#N)CCCCC2)[C@H](C)[C@@H]1C 1654779579 UGQXSMSOZCMEEC-RBSFLKMASA-N 248.414 3.827 30 20 BHED C=C(Cl)CN1CCC[C@H]1c1cccs1 53096117 OWWUGCGKUUDDNV-JTQLQIEISA-N 227.760 3.638 30 20 BHED C=CCCCNc1ccc(OC(F)F)cc1 70591535 OIPVMSRTYXHADC-UHFFFAOYSA-N 227.254 3.666 30 20 BHED C=CCCCN[C@H](C)c1cc(C)oc1C 70592138 CRSPBNLFCWYFDU-LLVKDONJSA-N 207.317 3.513 30 20 BHED C=CCN[C@@H](c1ccccc1)c1cccc(F)c1 89118566 RIMHEZRFXBUQBJ-INIZCTEOSA-N 241.309 3.691 30 20 BHED C=CCCC(=O)N1CCC[C@@H]1c1ccccc1C 102335649 IWMJTHPHNKNMEE-OAHLLOKOSA-N 243.350 3.625 30 20 BHED CCCC1(CN[C@@H](C)c2ccc(C#N)cc2)CC1 160773693 AMQXLEYMMJCGQC-ZDUSSCGKSA-N 242.366 3.789 30 20 BHED C[C@H](OC(=O)CC(C)(C)C)c1ccc(C#N)cc1 175805206 UNQXIHFBWZJQCE-NSHDSACASA-N 245.322 3.599 30 20 BHED Cc1cccc(OCc2cccc(C#N)c2)c1F 182965842 GWVFDKDJJAIEMR-UHFFFAOYSA-N 241.265 3.585 30 20 BHED CC1(C)OB([C@H]2C[C@H]2c2ccccc2)OC1(C)C 203826000 UANSPBMADSQCLG-STQMWFEESA-N 244.143 3.636 30 20 BHED O=C(/C=C\c1cc(F)ccc1F)c1ccccc1 206943204 JCBVABPXVRGINZ-TWGQIWQCSA-N 244.240 3.861 30 20 BHED C=C(C)CSc1ccc2c(c1)CCC2 216601514 ZARMBHPQORHURY-UHFFFAOYSA-N 204.338 3.844 30 20 BHED C=C(C)CN(C)[C@H](CC)Cc1ccccc1 303958515 YKVDYJURSDCUHG-OAHLLOKOSA-N 217.356 3.516 30 20 BHED C=C(C)CCNc1cc(OC)c(C)cc1C 309909581 LVDMYFOETRNOTH-UHFFFAOYSA-N 219.328 3.690 30 20 BHED CC[C@@H](C)[C@H](C)Nc1cccc(CC#N)c1 313479292 NGMBRWAPVXOOBO-NEPJUHHUSA-N 216.328 3.599 30 20 BHED N#Cc1cnccc1/C=C/c1coc2ccccc12 349107053 JKUVDPGBAFQJMO-AATRIKPKSA-N 246.269 3.870 30 20 BHED CC[C@]1(C)CCCN(Cc2ccc(C#N)cc2)C1 353691716 UOJHIIJWMUVCBP-MRXNPFEDSA-N 242.366 3.570 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1ccccc1O 383741131 CGXCRFAWDGCGQN-LBPRGKRZSA-N 233.355 3.645 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccc(F)c(F)c1 384926277 GJHSCZZNISYWBF-SNVBAGLBSA-N 239.309 3.828 30 20 BHED C=CC[C@H](CC)NCc1ccc([C@@H]2C[C@@H]2C)o1 393771898 UMHRUGUDOKDOTG-SGMGOOAPSA-N 233.355 3.847 30 20 BHED CC(C)[C@@H](c1ccc(F)cc1)N(C)CCCC#N 434620828 MBQFGTWSVVTPQN-HNNXBMFYSA-N 248.345 3.758 30 20 BHED CC[C@H](NCC1(CC)CC1)c1ccc(C#N)cc1 447584560 GHKIVFHBGWHXKF-HNNXBMFYSA-N 242.366 3.789 30 20 BHED C=CCC[C@H](CC)Nc1cc(C#N)ccc1OC 461875646 ILFZFIGCEPALLC-ZDUSSCGKSA-N 244.338 3.724 30 20 BHED C=CC[C@@H](CC)NC(=O)C(CCC)CCC 466536521 PCPOIDGVAQOCLU-CYBMUJFWSA-N 225.376 3.674 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H](C)C[C@@H](C)CC 467353616 DMVYRVIUGBDJBH-STQMWFEESA-N 237.387 3.696 30 20 BHED C=CCCCCCS[C@H](C)CCOC 485580384 OYFSBDYNJFAOAP-GFCCVEGCSA-N 216.390 3.891 30 20 BHED C=CCC(C)(C)CNC(=O)C[C@H](C)CC(C)C 490035528 CWCAEPXGCXOXRW-CYBMUJFWSA-N 239.403 3.777 30 20 BHED C=CC[C@@H](CC)NCc1ccc2occc2c1 512342745 LMRLOCPZKWSVBW-CQSZACIVSA-N 229.323 3.877 30 20 BHED CC(C)(C)[C@@H]1CCCN1Cc1ccc(C#N)s1 514100079 TUNLGYNJYOXKHO-ZDUSSCGKSA-N 248.395 3.630 30 20 BHED C=CCCN(CCC)CCc1cccc(F)c1 525328188 CNPGWIQTSDVMDW-UHFFFAOYSA-N 235.346 3.656 30 20 BHED Cc1ccc(C[C@@H](C#N)SCC2CC2)cc1 567844027 XMLFNEHEFIKLFO-AWEZNQCLSA-N 231.364 3.573 30 20 BHED C=CCCC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 588033107 DLCRCOIXUZUQKT-HNNXBMFYSA-N 243.350 3.562 30 20 BHED CCCN(CCCCC#N)c1ccccc1F 599544312 ZSLKFTOLRRPMJQ-UHFFFAOYSA-N 234.318 3.736 30 20 BHED C=CCCCN1CCC[C@@H]1c1cccc(OC)c1 605149723 CFHAUTXJBFWNQY-MRXNPFEDSA-N 245.366 3.798 30 20 BHED C=CCCN(C)CC[C@H](C)c1ccccc1 683714716 GEJSOFDCDUBOSZ-AWEZNQCLSA-N 217.356 3.688 30 20 BHED N#Cc1cnccc1Oc1cc(F)cc(Cl)c1 703735974 ZWWSBINFTRARSM-UHFFFAOYSA-N 248.644 3.538 30 20 BHED CC(=NNc1ccccn1)c1cc(C)cc(C)c1 730430567 HIEVUYWUUVWSEA-UHFFFAOYSA-N 239.322 3.535 30 20 BHED C=C(C)COC(=O)c1cc2c(C)c(C)ccc2[nH]1 735160710 KRSQHUBEQVTDEV-UHFFFAOYSA-N 243.306 3.518 30 20 BHED CCCCCC[C@@H](C)NN=Cc1cccc(O)c1 743450856 RXMLQYSPJYWJAB-CYBMUJFWSA-N 248.370 3.675 30 20 BHED Cc1cc(C=NNc2ccc(F)cc2)c(C)s1 760224482 BUEDBISLZAJUAY-UHFFFAOYSA-N 248.326 3.950 30 20 BHED Cc1cc(C=NNc2cccc(Cl)c2)c(C)o1 767892122 BNODJCCLNPXSGM-UHFFFAOYSA-N 248.713 3.996 30 20 BHED Clc1ccc2c(c1)CC(=NOC1CCCC1)C2 774607171 CYAGZTCLGVLIGZ-UHFFFAOYSA-N 249.741 3.754 30 20 BHED C=CCCSCc1ccc(CF)cc1 776894725 ZTFBZLKQUJZZNO-UHFFFAOYSA-N 210.317 3.965 30 20 BHED CC(CC1CCCC1)=NOCCC(F)(F)F 777455597 JWBWPEMEEFKJQY-UHFFFAOYSA-N 237.265 3.912 30 20 BHED CC[C@H](C)NN=C1CCC[C@H](C(C)C)C1 794533839 CFPFJCFVNQWXSP-RYUDHWBXSA-N 210.365 3.577 30 20 BHED Cc1cccc([C@H](C)SCCO[C@@H](C)C#N)c1 802752800 TXPAKTABWGIXOR-STQMWFEESA-N 249.379 3.718 30 20 BHED CCCC[C@H](C)C(C)=NNC1CCCC1 807969606 UTTWZPHWSPTXEL-NSHDSACASA-N 210.365 3.721 30 20 BHED CC(=NOCCC1CC1)c1ccc(Cl)s1 814246318 ZTNYVOIDJBVEKH-UHFFFAOYSA-N 243.759 3.942 30 20 BHED CCCCCCCN(C)Cc1conc1CC 815170077 LYHARDWVGBOVSU-UHFFFAOYSA-N 238.375 3.639 30 20 BHED CC(C)ON=CCCc1c(F)cccc1Cl 834999927 IAQDBVWMRPLTRN-UHFFFAOYSA-N 243.709 3.823 30 20 BHED CC(C)c1ccc(NN=C[C@H]2C[C@@H]2C)cc1 835018375 MRACLPYPTHAYIJ-WCQYABFASA-N 216.328 3.864 30 20 BHED CCC1(C(=O)O[C@@H]2CCC[C@H](C#N)C2)CCCC1 839053140 IKCXVETZAVZPRR-QWHCGFSZSA-N 249.354 3.582 30 20 BHED C=C(C)CON=C[C@H](C)c1cc(F)cc(F)c1 844619830 MGMJOXLOBZJMHS-JTQLQIEISA-N 239.265 3.647 30 20 BHED C=C[C@H](C)ON=C1CCc2ccccc2CC1 844620221 ICQRMQAATSYWFL-LBPRGKRZSA-N 229.323 3.513 30 20 BHED C=C[C@@H](C)ON=C1CCC[C@H](C2CC2)C1 844621808 NJWXLKZVCGOKPC-PWSUYJOCSA-N 207.317 3.534 30 20 BHED Cc1ccc(NN=C[C@H]2CC=CCC2)cc1F 853438724 LLBYTGBZQQAYGZ-LBPRGKRZSA-N 232.302 3.888 30 20 BHED CCc1ccc(C/N=C\c2ccccc2O)s1 915979082 LXELYMRRETWWPM-DHDCSXOGSA-N 245.347 3.635 30 20 BHED C[C@@H](NCC(C)(C)CC#N)[C@H]1CC2CCC1CC2 1206224673 UKJOZSBXASJEDC-XSCHDIRWSA-N 248.414 3.731 30 20 BHED CC[C@H]1CCC[C@H]1CNc1cccc(F)c1C#N 1307123723 QFSBUSZVEGIKOM-RYUDHWBXSA-N 246.329 3.936 30 20 BHED CC1CC(CSc2ccc(C#N)cc2F)C1 1643724484 IOCHKEJRLGKWJD-UHFFFAOYSA-N 235.327 3.836 30 20 BHED Cc1ccc([C@@H](C)/N=C/c2ccccc2O)cc1 17353596 ZERIHNHHVCFEOB-VVBXCHJUSA-N 239.318 3.881 30 20 BHED N#CCCOc1ccc(-c2ccccc2)cc1 35150047 NQZWZZOEXVBILG-UHFFFAOYSA-N 223.275 3.646 30 20 BHED C[C@H](NCC1CCCCC1)c1ccc(C#N)cc1 37253135 LNJSUVVLRPJRPH-ZDUSSCGKSA-N 242.366 3.789 30 20 BHED CCCCCC[C@@H](C)Nc1ncccc1C#N 49217850 GTOKEHQRKFEJLW-GFCCVEGCSA-N 231.343 3.724 30 20 BHED Cc1cccc(OCCCC(C)(C)C#N)c1 57713389 GUMGLYUGZNRZID-UHFFFAOYSA-N 217.312 3.704 30 20 BHED C#CCN(Cc1ccccc1Cl)C1CCCC1 78516415 FTJNADGOCRSEKK-UHFFFAOYSA-N 247.769 3.718 30 20 BHED CC[C@@H]1CC[C@H](C)N1CCCC(C)(C)C#N 124568591 COONTTXEVSRKBM-QWHCGFSZSA-N 222.376 3.579 30 20 BHED C=C(C)CN[C@H](CC(F)(F)F)c1ccccc1 128484791 HJTHRYXHTXPJBM-GFCCVEGCSA-N 243.272 3.846 30 20 BHED C=CCCC(=O)N1CCCCC[C@@H]1CC(C)C 129650428 SQOVVKUFIPSGKG-CQSZACIVSA-N 237.387 3.770 30 20 BHED C=C(Cl)CN[C@H](C)c1ccc2c(c1)CCCC2 130935062 JHOYIFDQUTYASY-GFCCVEGCSA-N 249.785 3.969 30 20 BHED CCCCCCCCCN[C@H]1CCO[C@H]1C 133959310 LGBXAGKNTAJYFC-KBPBESRZSA-N 227.392 3.504 30 20 BHED CCc1ccccc1NCc1ccc(C#N)s1 155355015 MDCRPUGGZPTSOI-UHFFFAOYSA-N 242.347 3.794 30 20 BHED N#Cc1ccc(SCC2CC2)c(Cl)c1 163285816 RGGBIHQCSHUHKR-UHFFFAOYSA-N 223.728 3.714 30 20 BHED C=CCCCC(=O)Nc1cc(F)ccc1Cl 177816087 SNHCMZQPWDSILS-UHFFFAOYSA-N 241.693 3.774 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1sccc1C 182607344 BZMLGYRNQIKPGF-LLVKDONJSA-N 237.368 3.531 30 20 BHED CC[C@@H](C)[C@@H](C)NCCCCC(C)(C)C#N 233853227 CKMLUMVATZXNAM-CHWSQXEVSA-N 224.392 3.731 30 20 BHED CN(CCCCC(C)(C)C#N)CC1CCCC1 234271645 JFHPBOJDAAHMLA-UHFFFAOYSA-N 236.403 3.828 30 20 BHED Cc1ccccc1/C=C\C(=O)c1occc1C 255063562 TUBYKCVCKNKTDM-FPLPWBNLSA-N 226.275 3.793 30 20 BHED CCN(Cc1ccc2ccccc2c1)[C@@H](C)C#N 273047128 QEJKSNXBGYQEIQ-ZDUSSCGKSA-N 238.334 3.574 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(C#N)cc1 280944649 FYPJXQJRARORJM-SWLSCSKDSA-N 228.339 3.564 30 20 BHED C=CCC(C)(C)C(=O)N(C)c1cccc(C)c1 292204633 IUMVHADNCJXZGA-UHFFFAOYSA-N 231.339 3.560 30 20 BHED C=CCCCC(=O)N(C)Cc1cccc(C)c1C 292428897 LNGIFRJBPXMKSX-UHFFFAOYSA-N 245.366 3.618 30 20 BHED C[C@H](CCC1CC1)Nc1ccc(C#N)cc1F 302221930 OBTUQYGRKDOOCQ-SNVBAGLBSA-N 232.302 3.688 30 20 BHED C=C(Cl)CN1CCC[C@H]1Cc1ccc(C)cc1 303603388 NYMSWEXKRXRCBE-HNNXBMFYSA-N 249.785 3.754 30 20 BHED C=C(C)CCSC[C@@H](C)C(F)(F)F 308251120 HKQLDFPSTIPCNN-MRVPVSSYSA-N 212.280 3.884 30 20 BHED Cc1cnc([C@H](C)Sc2cccc(C#N)c2)o1 335789587 UDAAHYGWDUVUPR-JTQLQIEISA-N 244.319 3.708 30 20 BHED C=CCCCSCCc1c(C)noc1C 339416772 LSCVKYKOOSNKFZ-UHFFFAOYSA-N 225.357 3.533 30 20 BHED CO[C@H](C)c1cccc(NCCC(C)(C)C#N)c1 345412474 OVTCBEUSNDDUOZ-GFCCVEGCSA-N 246.354 3.746 30 20 BHED C[C@H]1CCC[C@@H](C)[C@@H]1NCC(C)(C)CCC#N 348206491 LUGHBDQEODZPAE-WDNDVIMCSA-N 236.403 3.731 30 20 BHED Cc1cccc([C@@H](C)NCC(C)(C)CC#N)c1 414165723 MMQRNKQDGRXGJD-CYBMUJFWSA-N 230.355 3.586 30 20 BHED C=CCC[C@H](NCc1cccc(F)c1)C1CC1 439087697 PDJNJCJASFQRSQ-HNNXBMFYSA-N 233.330 3.660 30 20 BHED C[C@@H]1CC[C@@H](C)[C@@H](NCC(C)(C)CCC#N)C1 449334741 XXKGINIBMHZVKG-MCIONIFRSA-N 236.403 3.731 30 20 BHED C[C@H](NCC1(C#N)CCC1)c1ccc(Cl)cc1 450506819 MZFNTBLWXBATRG-NSHDSACASA-N 248.757 3.684 30 20 BHED N#Cc1ccccc1SCC1CC(F)(F)C1 450870448 ZJTNAAPROOWKRD-UHFFFAOYSA-N 239.290 3.696 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc2c(c1)CCC2 467428891 UGEXXCGISUZEMS-INIZCTEOSA-N 243.350 3.716 30 20 BHED C=CCOCCCSCc1cccc(C)c1 479588851 RJOPFSIPWKZERI-UHFFFAOYSA-N 236.380 3.821 30 20 BHED C=C(C)CSc1nc2ccccc2nc1C 491025142 VRLUXSVOHSUYOJ-UHFFFAOYSA-N 230.336 3.606 30 20 BHED CCCC[C@H](N[C@@H]1CC[C@H](C#N)C1)C1CCC1 559150361 UKZGKRSTCZFGFF-CFVMTHIKSA-N 234.387 3.627 30 20 BHED CC1(C)C[C@H]1Nc1cccc(C(F)F)c1C#N 594549048 SLGSCJLOVLTFGL-LLVKDONJSA-N 236.265 3.706 30 20 BHED N#C[C@@H]1CC[C@H](N2CC[C@@H](C3CCCCC3)C2)C1 595731584 ATASPWASPJADDA-BMFZPTHFSA-N 246.398 3.581 30 20 BHED CC(C)(F)CCNc1ccc(C#N)c(Cl)c1 596468813 ODLIIQLPMKRRNZ-UHFFFAOYSA-N 240.709 3.762 30 20 BHED Cc1ccc([C@H](C)CNC[C@H](C)CCC#N)cc1 602559257 XETRUTKVHLXRJW-HUUCEWRRSA-N 244.382 3.628 30 20 BHED C[C@@H](CCC#N)CNc1cccc2ccn(C)c12 602633761 YTJIMHMUTIWECC-LBPRGKRZSA-N 241.338 3.530 30 20 BHED C=CCCCOc1ccc(F)c2c1C(=O)C[C@@H]2C 605077047 XCRBVFQXNLHWGB-JTQLQIEISA-N 248.297 3.861 30 20 BHED C=CC[C@H](C)[C@H](C)NC1(C2CCC2)CC1 652272513 OHHGEQOWNAIZEO-RYUDHWBXSA-N 207.361 3.509 30 20 BHED CCCCCCCCC/C=C\C(=O)N(C)C 726884102 WYZNCUXZUAPBJB-SEYXRHQNSA-N 225.376 3.772 30 20 BHED C=CCCC(CC)=NNCc1ccc(OC)cc1 750934493 LQSLVZAOKDEYRU-UHFFFAOYSA-N 246.354 3.517 30 20 BHED CCC(=NNCc1cccc(Cl)c1)C1CC1 756832369 SLWREPNBVUBSJS-UHFFFAOYSA-N 236.746 3.606 30 20 BHED C=C(C)COC(=O)c1cccc(-c2ccoc2)c1 760573197 RQAUGDRICNWCGF-UHFFFAOYSA-N 242.274 3.680 30 20 BHED CCCCCC[C@@H](C)NN=Cc1ccc(C)nc1 764907927 FQRXCGLEACZIGA-CQSZACIVSA-N 247.386 3.672 30 20 BHED CCCCCOc1ccc(C(C)=NOC)cc1 767492224 RRCOUGLFIKTRBV-UHFFFAOYSA-N 235.327 3.626 30 20 BHED C#CC[C@@H](NCC1CCCC1)c1ccccc1 775401594 VWSSEBHLNKQNKW-MRXNPFEDSA-N 227.351 3.531 30 20 BHED C[C@H]1CCCC[C@@H]1C=NNc1ccccc1 783771588 FNKWVOWYOSRXTF-QWHCGFSZSA-N 216.328 3.911 30 20 BHED C=C[C@@](C)(CC)C(=O)OCc1ccccc1C 785752603 CMHXYGVVQTZERM-HNNXBMFYSA-N 232.323 3.641 30 20 BHED Cc1cc(C(=O)/C=C/c2cccc(Cl)c2)no1 791432626 NWEIHYKUADHJDP-AATRIKPKSA-N 247.681 3.533 30 20 BHED CC[C@H]1CCCC(=NN[C@H](C)C(C)(C)C)C1 793115947 USFPIBAYUGRPNH-NEPJUHHUSA-N 224.392 3.967 30 20 BHED C#Cc1ccc(CNc2cccc3cc[nH]c23)cc1 809642263 FQUDSGXTUWYOAN-UHFFFAOYSA-N 246.313 3.761 30 20 BHED CCCC[C@H]1CCCC1=NOCCOC(C)C 812239853 BPFOCQDSSHONEX-ZDUSSCGKSA-N 241.375 3.774 30 20 BHED C#CCC(C)(C)C(=O)Oc1cccc(C2CC2)c1 822160610 PFGHTONIBYMSRJ-UHFFFAOYSA-N 242.318 3.519 30 20 BHED C=CC[C@H](C)NC(=O)c1ccccc1C(C)C 828040353 KGJKUFLKGRRIIZ-LBPRGKRZSA-N 231.339 3.504 30 20 BHED CCC1(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)CCCC1 839053136 IKCXVETZAVZPRR-CHWSQXEVSA-N 249.354 3.582 30 20 BHED C=C[C@H](C)ON=C(C)c1csc(Cl)c1 844626452 VZPKOZZITOYSDY-ZETCQYMHSA-N 229.732 3.717 30 20 BHED C[C@H](NN=C/C=C/c1ccco1)c1ccccc1 920382848 PVWZOCVUDRJDSX-KECONOHKSA-N 240.306 3.629 30 20 BHED CC(C)CC/N=C\c1cc(Cl)ccc1O 920945704 AYLJFRCNPUOLTR-ZSOIEALJSA-N 225.719 3.511 30 20 BHED CCCCCC=NNc1ccc(C(C)(C)C)nn1 1320193845 NVXSUWPIWXQOJG-UHFFFAOYSA-N 248.374 3.752 30 20 BHED C=C(Cl)COc1cc(Cl)ccc1C(C)=O 1459139636 LWWITMZTTREWAD-UHFFFAOYSA-N 245.105 3.674 30 20 BHED N#Cc1ccccc1SCCC1CCC1 1651815703 JRVCYJXZJYPGHH-UHFFFAOYSA-N 217.337 3.841 30 20 BHED Cc1ccc(C(=O)/C=C\c2cccc(F)c2)o1 33387636 XFTFESMGIFGXLA-SREVYHEPSA-N 230.238 3.623 30 20 BHED N#Cc1ccc(Cl)cc1NC[C@H]1CC=CCC1 36954172 ARTZHGRLQSOSHF-NSHDSACASA-N 246.741 3.980 30 20 BHED CC(C)(C#N)CCN1CCC[C@@H]2CCCC[C@@H]21 87595200 SPFQLPXQRMZHEK-KBPBESRZSA-N 234.387 3.581 30 20 BHED CC1(C)CCC/C(=C/c2ccc(F)cc2)C1=O 90211021 GPKGCGLJNMEYJH-BENRWUELSA-N 232.298 3.988 30 20 BHED C[C@H](c1ccccc1Cl)N(CCC#N)C1CC1 101545006 FQAMGFDMYNVENP-LLVKDONJSA-N 248.757 3.779 30 20 BHED C=CCS[C@H](C)C(=O)Nc1ccc(C)c(C)c1 114757596 YYHYTVHPRYSJSV-GFCCVEGCSA-N 249.379 3.550 30 20 BHED CC[C@H](C#N)N[C@@H](CCC(C)C)C(C)(C)C 122238754 WSJCSBJEXWMIBU-OLZOCXBDSA-N 224.392 3.729 30 20 BHED C=CCCCC(=O)N(CC)c1cccc(F)c1 177524702 ZZZRXJSKAFCQCK-UHFFFAOYSA-N 235.302 3.535 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 181988929 CFTJWFJVWDGVEW-KGLIPLIRSA-N 242.366 3.954 30 20 BHED CSc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1 185723162 SWWLSBMYTMUUNT-NWDGAFQWSA-N 246.379 3.903 30 20 BHED Cc1ccc(COc2ccc(C#N)cc2F)cc1 225241402 ZSUBUHCKQJVEOP-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C[C@H](C#N)CN[C@@H]1CCCC[C@H]1C1CCCCC1 251138227 VWTNMBFUVFIYHP-VNQPRFMTSA-N 248.414 3.875 30 20 BHED C(/C=C/c1ccccc1)=Nn1cnc2ccccc21 254387778 XNPJGSGOAUDXHX-ODGAGTQYSA-N 247.301 3.584 30 20 BHED Cc1ccc(C=NOCc2ccc(F)cc2)cc1 255758627 XUUCLPMTIKHZKN-UHFFFAOYSA-N 243.281 3.685 30 20 BHED C=CC[C@H](CC)NC(=O)Nc1cc(C)ccc1C 281204523 BYNRJTMDESOHRV-ZDUSSCGKSA-N 246.354 3.780 30 20 BHED C=CCCCC(=O)N1Cc2cccc(Cl)c2C1 290551637 OYPYVNNOTGJABO-UHFFFAOYSA-N 249.741 3.539 30 20 BHED CCCCCCC[C@H](C)N[C@@H]1CCO[C@H](C)C1 300417325 QPQWXVHMMBWGSZ-RRFJBIMHSA-N 241.419 3.893 30 20 BHED C=C(Cl)CSc1cccc(OC)c1 302975554 RYNNLPDGUXDHQO-UHFFFAOYSA-N 214.717 3.540 30 20 BHED CC(C)(C)CCCN(CC#N)C1CCCC1 303794842 NLNRMPOCRRUMHS-UHFFFAOYSA-N 222.376 3.581 30 20 BHED N#Cc1ccc(NCCCCCF)c(Cl)c1 304398585 NRYUWKFVZSKWHF-UHFFFAOYSA-N 240.709 3.763 30 20 BHED C=C(CC)CSCCSC(C)C 307943002 DYHQIRXCBGORCG-UHFFFAOYSA-N 204.404 3.827 30 20 BHED C=CCCCSCCCOCC(F)(F)F 344571494 URGRBXAZLOIQGM-UHFFFAOYSA-N 242.306 3.655 30 20 BHED C=C(C)CCN[C@H](CC)c1ccc(F)cc1F 351752094 MRFJJGUEHGDOLQ-CQSZACIVSA-N 239.309 3.972 30 20 BHED C=CCCC1(C(=O)N2CCC[C@@H]3CCC[C@@H]32)CC1 361730836 CSSNBRLVHXNXKJ-KBPBESRZSA-N 247.382 3.524 30 20 BHED C=CCCCCNCc1ccc(OC(C)C)cc1 385816715 OFBFEYIPGHIHSL-UHFFFAOYSA-N 247.382 3.920 30 20 BHED C=CCC[C@H](CC)N[C@H](C)[C@](C)(OC)C1CC1 414224739 AYZSJOIXWDFHTG-SNPRPXQTSA-N 239.403 3.524 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 424525704 AVRXKIHJFCWSCY-JHJVBQTASA-N 237.387 3.530 30 20 BHED CC(C)(CCC#N)CN1CC[C@@H]1c1ccccc1 434979237 RKBJBFICLKVMFV-OAHLLOKOSA-N 242.366 3.763 30 20 BHED C=CCCSCc1ccc(F)c(F)c1 523520838 GCQSPVRYDMRMPC-UHFFFAOYSA-N 214.280 3.774 30 20 BHED CCC[C@@H](CN(CC#N)CCC)c1ccccc1 539365964 CADTVSZCBGBSAM-INIZCTEOSA-N 244.382 3.806 30 20 BHED CC#CCCCc1nc([C@H]2CCCC[C@@H]2C)no1 567458933 AVAJTNHJFAKDMQ-STQMWFEESA-N 246.354 3.709 30 20 BHED Cc1ccc(F)cc1/C=C\C(=O)c1ccco1 588394303 BTPBZEOZMVZBSD-ALCCZGGFSA-N 230.238 3.623 30 20 BHED C=CCCCCCN(C)CCC(F)(F)F 607153875 DGLDYZYBAMFACD-UHFFFAOYSA-N 223.282 3.617 30 20 BHED C=CC[C@@H]1CCCN(c2nc3ccccc3o2)C1 664252988 GWTUHKCGBSOYRA-GFCCVEGCSA-N 242.322 3.620 30 20 BHED O=C1/C(=C/C=C/c2ccccc2)Oc2ccccc21 742437951 XYJMNEPQPDTBDK-FLIHGVEMSA-N 248.281 3.859 30 20 BHED C=C(Cl)CSCc1ccc([N+](=O)[O-])cc1 753944339 XPAMTHAIHVFEMU-UHFFFAOYSA-N 243.715 3.581 30 20 BHED C[C@@H](CC=NNC1CCCC1)c1ccccc1 755689549 PKHRMNIJLYCLER-ZDUSSCGKSA-N 230.355 3.698 30 20 BHED C#CCCCN[C@H](C)c1ccc(SCC)cc1 756928851 VYGFTAQDNQICBP-CYBMUJFWSA-N 247.407 3.863 30 20 BHED C#CCCN(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 760843920 RQLRWIMUXKBBMW-QWHCGFSZSA-N 249.785 3.787 30 20 BHED C#CCCCCN[C@H](CC1CC1)c1ccccc1 773039807 YDYXETHTULUSOV-QGZVFWFLSA-N 241.378 3.921 30 20 BHED CCC(=NN[C@@H]1CCCCC1(C)C)C1CC1 773126061 RJMBQUMJYQVNQF-CYBMUJFWSA-N 222.376 3.721 30 20 BHED C=CCC[C@@H](C(=O)OCC(=C)C)c1ccccc1 778553173 SPFRBZAMTHUQQD-OAHLLOKOSA-N 244.334 3.856 30 20 BHED CC1(C)CCC(=NNCCc2ccccc2F)C1 783853726 CCYLLINNZYOVAV-UHFFFAOYSA-N 248.345 3.524 30 20 BHED CC[C@H](C)NN=C(C)CCc1ccc(F)cc1 790181910 AKLJYYCUXHWABF-NSHDSACASA-N 236.334 3.522 30 20 BHED COc1ccccc1CON=C1CCCCCC1 799118146 SPKVCZAVTCPHCW-UHFFFAOYSA-N 247.338 3.922 30 20 BHED N#Cc1ccccc1SCOC1CCCC1 808024636 WARPRXOVNWMMJV-UHFFFAOYSA-N 233.336 3.567 30 20 BHED Cc1ccc(NN=CCC2CCCCC2)nc1 814831931 XTDVOERCNMILNA-UHFFFAOYSA-N 231.343 3.758 30 20 BHED CC[C@H](C)CON=C1CCC[C@H]1C(C)(C)C#N 814939227 IVWOHMKMLWJCHH-NWDGAFQWSA-N 236.359 3.755 30 20 BHED C#CCCCCCC(=O)N[C@H](CC)C1CCCC1 837039578 RFVBZZKMICVAOK-OAHLLOKOSA-N 249.398 3.655 30 20 BHED CCC(=NNc1ncccc1Cl)[C@H]1C[C@@H]1C 841620405 WKMDIQFHZURQDW-IUCAKERBSA-N 237.734 3.569 30 20 BHED Cc1ccc(NN=C2CC3(CCC3)C2)cc1F 853439028 YMLNWWCYEAPNSY-UHFFFAOYSA-N 232.302 3.866 30 20 BHED Cc1cccc(NN=C[C@@H]2CCC[C@H](C)C2)n1 863159816 FROJKAGUXAYZJU-WCQYABFASA-N 231.343 3.614 30 20 BHED CC(=NNc1cccc(F)c1)c1cccc(F)c1 920383771 KSCRTRUIDGMUEQ-UHFFFAOYSA-N 246.260 3.801 30 20 BHED C=CCCN[C@H](CCC)c1ncccc1Cl 926682328 BDCUPZUKPLJOND-GFCCVEGCSA-N 238.762 3.742 30 20 BHED C#CCN(CC[C@H](C)c1ccccc1)CC1CC1 1324448211 WRTZIMCRPVENKQ-HNNXBMFYSA-N 241.378 3.525 30 20 BHED C[C@H](CCC#N)N[C@H](C)c1ccc2c(c1)CCC2 1459864477 YRHBVUMSDBDTAJ-CHWSQXEVSA-N 242.366 3.518 30 20 BHED CC[C@@H](N[C@H](C)CCC#N)c1ccc(F)cc1 1657891614 BXJVKCUCNJCMPG-BXUZGUMPSA-N 234.318 3.559 30 20 BHED CC[C@@H]1CCCC[C@H]1N(C)C[C@@H](C)CCC#N 1659135531 WJXAZTBXZDKOOA-RRFJBIMHSA-N 236.403 3.827 30 20 BHED CC(C)CC[C@H](C)Nc1cccc(C#N)c1 21503227 MDNFFIZOBFTZHG-LBPRGKRZSA-N 216.328 3.795 30 20 BHED C[C@@H](Nc1cccc(F)c1C#N)c1ccccc1 35134919 HRQLPXORZYBACC-LLVKDONJSA-N 240.281 3.870 30 20 BHED C#Cc1cccc(NC(=O)c2ccc(C)cc2C)c1 41636863 OZRMOBHKWNRJBI-UHFFFAOYSA-N 249.313 3.537 30 20 BHED C=CCOc1ccccc1CN[C@H](C)C1CCC1 130817086 ZDEXGTFVYFCFGG-CYBMUJFWSA-N 245.366 3.530 30 20 BHED Cc1cc(F)ccc1COc1ccc(C#N)cc1 167977561 YPYHQXIAUWSJQU-UHFFFAOYSA-N 241.265 3.585 30 20 BHED N#CCN[C@H](c1cccc(Cl)c1)C1CCCC1 181034328 OSQFUISTPBEBIV-AWEZNQCLSA-N 248.757 3.684 30 20 BHED C=CCC1(C(=O)N2CCC[C@H](CCC)C2)CCC1 189277395 BNAOVPDRHWCBLS-AWEZNQCLSA-N 249.398 3.772 30 20 BHED C=CCC[C@H](C(=O)NCCCC)c1ccccc1 189408797 KELLLADPNNUPEU-HNNXBMFYSA-N 245.366 3.653 30 20 BHED CC(C)(C)CCCCNc1cccc(C#N)n1 301269539 JIZSQGZUZMYZES-UHFFFAOYSA-N 231.343 3.582 30 20 BHED CCC#C[C@H](C)N[C@H](C)c1ccccc1Cl 309829065 YBIKZJXOVVYSQY-NWDGAFQWSA-N 235.758 3.793 30 20 BHED C=CC(C)(C)CNC1CCC(C(F)(F)F)CC1 384932462 HPMZNEAEPRDVKJ-UHFFFAOYSA-N 249.320 3.909 30 20 BHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)C1CCCCCC1 424337196 ZDBMAFXHZOCDQY-VNHYZAJKSA-N 234.387 3.627 30 20 BHED CCCCCN(C)[C@@H](C)c1cccc(C#N)c1 425533300 KOPCSHIWGIAJST-ZDUSSCGKSA-N 230.355 3.741 30 20 BHED CC(C)(CN[C@@H]1CC[C@H](C#N)C1)C1CCCCC1 442824581 HEZQGWVZLQEDBH-DZGCQCFKSA-N 248.414 3.875 30 20 BHED C=C(CC)CN[C@@H]1CCC[C@H](c2cccnc2)C1 449736285 UXFIUINLIYPAJP-GOEBONIOSA-N 244.382 3.664 30 20 BHED C=CC(C)(C)c1nc(-c2ccccc2CC)no1 453060945 KHOBOERJDCFUOT-UHFFFAOYSA-N 242.322 3.763 30 20 BHED C=CCSCCCOc1ccc(C)c(C)c1 522282434 FOJRVLPTXCJVNH-UHFFFAOYSA-N 236.380 3.992 30 20 BHED CC[C@H](CC#N)NC[C@H](C)CC1CCCCC1 545875643 NHBFCVDYVVONCC-UKRRQHHQSA-N 236.403 3.875 30 20 BHED C=CCC(C)(C)c1noc([C@@H]2CC=CCC2)n1 560024770 MWCCKHYNKVIHLF-LLVKDONJSA-N 232.327 3.747 30 20 BHED CC(C)(CC#N)CSc1cccc(F)c1 584064573 HHUYEASDGFDMPR-UHFFFAOYSA-N 223.316 3.858 30 20 BHED COCc1ccc(S[C@@H](C)CCC#N)cc1 591128198 OMZOQAMEEMSFON-NSHDSACASA-N 235.352 3.617 30 20 BHED C=CCCNc1cc2ccccc2cc1C(=O)O 736102219 DOQKRIPIXPOKOR-UHFFFAOYSA-N 241.290 3.526 30 20 BHED C=CCN(CC=C)C(=O)C[C@H](C)CCCCC 742466153 SAKOAOSLNDSXBE-CQSZACIVSA-N 237.387 3.794 30 20 BHED CON=C1CCC[C@H]1c1ccccc1Cl 758102606 AVMPEIDAISMEEW-JTQLQIEISA-N 223.703 3.610 30 20 BHED CCCCCC[C@H](C)NN=Cc1ccc(C)nc1 764907926 FQRXCGLEACZIGA-AWEZNQCLSA-N 247.386 3.672 30 20 BHED CCCCCCCN(CC)Cc1ccncc1 767617837 XRKUEJHOLUVPHP-UHFFFAOYSA-N 234.387 3.874 30 20 BHED C=CCCCCNC(=O)/C=C\C1CCCCC1 770082243 MWIHXMYELQWLLA-QXMHVHEDSA-N 235.371 3.595 30 20 BHED C#CC[C@H](N[C@@H]1CCC[C@@H]1C)c1ccccc1 773117031 SZCSNODIILXMFH-IMJJTQAJSA-N 227.351 3.529 30 20 BHED CSc1ccc(C=NOC2CCCC2)cc1 774602144 FQGSLESBQWXUMN-UHFFFAOYSA-N 235.352 3.702 30 20 BHED CCCCCCC(C)=NNc1ccnc(F)c1 781127504 NEBMOTQIZXBICF-UHFFFAOYSA-N 237.322 3.979 30 20 BHED CC(=NNc1cc(C)ccc1C)[C@]1(C)CCCO1 782165098 ABOATQIJULOSQG-HNNXBMFYSA-N 246.354 3.660 30 20 BHED CC(=NNC1CCCCC1)C1CCCCC1 786042855 BHIVKVODCDBLPU-UHFFFAOYSA-N 222.376 3.865 30 20 BHED Cc1ccoc1C/N=C\c1cc(Cl)ccc1O 793653139 DLUFHETXYOZEHF-CHHVJCJISA-N 249.697 3.566 30 20 BHED CCON=C(C)[C@@H](C)c1ccc(Cl)cc1 794489688 AFGPWGQJCJVTHZ-SECBINFHSA-N 225.719 3.856 30 20 BHED C=CCCN(C)[C@H]1CCc2cc(Cl)ccc21 796029085 XRFAEJGOSUAORD-AWEZNQCLSA-N 235.758 3.835 30 20 BHED CC(C)C[C@@H](C)C=NNc1nccnc1C(C)C 799113215 AFKMMTAKHSBQKY-GFCCVEGCSA-N 248.374 3.680 30 20 BHED CC(=NOCCC1CC1)c1cccc(C)c1 814247286 ZUSTZGSMWGOLEO-UHFFFAOYSA-N 217.312 3.536 30 20 BHED CC[C@@H](C)CC=NNc1oc(C(C)C)nc1C#N 834949171 HIEHJMBJDSIURJ-SNVBAGLBSA-N 248.330 3.504 30 20 BHED CC1(C#N)CCC(=NN[C@@H]2CCCC2(C)C)CC1 834978417 SYBLEHBMACCSGR-AFYYWNPRSA-N 247.386 3.615 30 20 BHED C=C(C)c1ccc([C@H](O)C2CCC2)cc1 844234899 QECGMIQJICCMMD-CQSZACIVSA-N 202.297 3.553 30 20 BHED CC(C)SCSc1ccccc1C#N 863308797 YGEHAKAOEQQOHI-UHFFFAOYSA-N 223.366 3.749 30 20 BHED Oc1ccc(Cl)cc1/C=N\CCCC(F)F 1334872805 GDEOJCJXVTWHDD-CHHVJCJISA-N 247.672 3.510 30 20 BHED CCCC[C@H](CC)CN(C1CC1)[C@H](C)C#N 1654165279 MLOFUGLERUCIBW-OLZOCXBDSA-N 222.376 3.579 30 20 BHED CC[C@H](CC1CCCCC1)NCC1(C#N)CC1 1664492476 LUUGNIPZLXEPDD-CQSZACIVSA-N 234.387 3.629 30 20 BHED CC(C)c1ccc(CSCC#N)cc1 58254566 XZQMLASMZCSTLS-UHFFFAOYSA-N 205.326 3.567 30 20 BHED C=C[C@H](C)N[C@H](CC)c1cc(C)ccc1OC 91736067 IDBZIQACYBYSJU-GXTWGEPZSA-N 233.355 3.619 30 20 BHED C=CC[C@H](C)NC(=O)[C@H](CCC)c1ccccc1 116852786 NJRJAQPQIAAKOK-DZGCQCFKSA-N 245.366 3.651 30 20 BHED C=CC[C@@H](C)NC(=O)[C@H](CCC)c1ccccc1 116852789 NJRJAQPQIAAKOK-UKRRQHHQSA-N 245.366 3.651 30 20 BHED C=CCC[C@@H](C)Nc1ccc(N(C)C)cc1 126900911 CHDSEARPHSJZMS-GFCCVEGCSA-N 218.344 3.519 30 20 BHED C=CCCN[C@H](C)c1ccc2c(c1)CCCC2 163852845 IKTRCRUZERYRNR-CYBMUJFWSA-N 229.367 3.792 30 20 BHED C=CC[C@@H](C)NCc1cc(F)cc(Cl)c1 168270854 IPGVWRAWELYEQU-SECBINFHSA-N 227.710 3.533 30 20 BHED C=CCCCC(=O)N1CCCc2cc(C)ccc21 177499821 QTRILLRIZBMRAW-UHFFFAOYSA-N 243.350 3.631 30 20 BHED Cc1ccccc1[C@H](NCCCC#N)C(C)C 183232978 FARPDQPNOWJVCE-OAHLLOKOSA-N 230.355 3.586 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cc(F)ccc1C 189779383 VGUKGHAGJVXESX-AWEZNQCLSA-N 235.302 3.675 30 20 BHED C=CCC1(C(=O)N2CCC[C@@H](CC)CC2)CCC1 191885435 QIXTYQHFNVIWKT-CQSZACIVSA-N 249.398 3.772 30 20 BHED C=CCN(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 194991550 ZFMLFPFKBZTKMB-JTQLQIEISA-N 243.272 3.884 30 20 BHED CO[C@@H](CSCCCCC#N)c1ccccc1 283386804 NETCRFRSZVVFKP-AWEZNQCLSA-N 249.379 3.801 30 20 BHED C=CCC[C@H](CC)NCC(C)(C)c1ccccn1 294917853 YMWLPHCXOXWYFS-AWEZNQCLSA-N 246.398 3.694 30 20 BHED C=C(CC)CN[C@@H](C)c1c(F)cccc1F 309747136 FVTITARMPDUJIE-JTQLQIEISA-N 225.282 3.582 30 20 BHED CCCCCC[C@H](C)N[C@H]1CC[C@@H](C#N)C1 310012439 JCOTUCOIJZZIRU-MJBXVCDLSA-N 222.376 3.627 30 20 BHED CC(C)(C)CCCNc1cccc(CC#N)c1 313479288 NDKZKQGLLJQTEO-UHFFFAOYSA-N 230.355 3.991 30 20 BHED CC[C@H]1CCCC[C@H]1c1noc(CCCC#N)n1 341173307 ONYOFZANGSOEFA-NWDGAFQWSA-N 247.342 3.600 30 20 BHED CC(C)N(Cc1ccc(CC#N)cc1)C1CCC1 342722810 ISZGDWXEQNNCJM-UHFFFAOYSA-N 242.366 3.516 30 20 BHED C=CCCC1(C(=O)N2CCC(CC)(CC)C2)CC1 356377129 ZWGSKSAXYZCAFO-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1ccc(C)o1 379937799 WMAFDWMEUWHIGT-LBPRGKRZSA-N 221.344 3.841 30 20 BHED C=CCC[C@H](CCC)N[C@@H]1CCC1(C)C 380356871 WZSYRXDMUUIALS-QWHCGFSZSA-N 209.377 3.900 30 20 BHED CC(C)C[C@@H](C)CNc1ccc(OCC#N)cc1 384466952 HIBNYJQXONHJPO-CYBMUJFWSA-N 246.354 3.683 30 20 BHED N#CC1(CSCc2cccc(F)c2)CCC1 419388607 GPVRGGFVFOKRIX-UHFFFAOYSA-N 235.327 3.753 30 20 BHED CC/C=C/CCN(C)[C@H](C)c1cccc(C#N)c1 425535625 NQGUWUMSXMFOHE-VBROQKIQSA-N 242.366 3.907 30 20 BHED C=CCC(C)(C)CNC(=O)Nc1cccc(C)c1 432477924 NOTVQUZULXIJTM-UHFFFAOYSA-N 246.354 3.719 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)c1nccn1CC 449565725 KJTYFAKXMHCOBO-KBPBESRZSA-N 249.402 3.689 30 20 BHED C=CCCCCCN(C)Cc1cccn1CC 488190393 CCBZBLSFMWNALL-UHFFFAOYSA-N 234.387 3.686 30 20 BHED C=CCC[C@H](NCC(C1CC1)C1CC1)C1CC1 533038226 HPXYNWSFKZOTIO-INIZCTEOSA-N 233.399 3.757 30 20 BHED CC[C@H](CC(F)(F)F)Nc1ccc(C#N)cc1 546881996 LVYLBSGNYTZXRT-SNVBAGLBSA-N 242.244 3.701 30 20 BHED CCN(C/C=C/c1ccc(Cl)cc1)[C@@H](C)C#N 595821342 UERPPMZUHSYOPH-ITKZLYELSA-N 248.757 3.587 30 20 BHED C=CCCN[C@@H]1CCC[C@@H]1c1ccc(F)cc1 682088177 OEQMBQAJYWELIB-HUUCEWRRSA-N 233.330 3.628 30 20 BHED C=C(CC)CSCc1cccc(Cl)n1 773289906 JBAAWDKKEBRGEI-UHFFFAOYSA-N 227.760 3.934 30 20 BHED C#CCCCN[C@@H](C(=C)C)c1ccc(F)c(F)c1 775723759 MLFRYFJJPRXLPU-HNNXBMFYSA-N 249.304 3.585 30 20 BHED C=CCC(CC=C)C(=O)OCCCC(C)(C)C#N 784117576 GRLDDHYTAGYJKH-UHFFFAOYSA-N 249.354 3.628 30 20 BHED COCCCON=C1CC(C)(C)CC(C)(C)C1 795048076 GEFGGGHOGFIZBR-UHFFFAOYSA-N 241.375 3.632 30 20 BHED C#C[C@@H](N[C@@H](C)CCc1ccsc1)C(C)(C)C 809781247 LDCSROVEWQCFOF-GXTWGEPZSA-N 249.423 3.707 30 20 BHED CCC(=NOC/C=C\Cl)c1ccccc1 811670056 MOYJPVXTRBDNGI-NLKVCJIOSA-N 223.703 3.570 30 20 BHED CC[C@@H](C)CC=NOCc1ccc(F)cc1 834969120 QIMZBXABMXICDW-LLVKDONJSA-N 223.291 3.764 30 20 BHED C=CC(C)(C)C(=O)Oc1cccc(OC(C)C)c1 835148283 UPVBOHXPVYXEQD-UHFFFAOYSA-N 248.322 3.591 30 20 BHED C=CC(C)(C)C(=O)O[C@@H](C)c1ccccc1F 835277514 IUKGNWFVRMOTSQ-JTQLQIEISA-N 236.286 3.642 30 20 BHED N#CC1(CSc2ncc(Cl)s2)CCC1 850002226 WYCMFRKZFFCOKY-UHFFFAOYSA-N 244.772 3.582 30 20 BHED CCc1ccccc1NN=C(C)C1(OC)CCC1 853288987 HABOKLMVFCZHOH-UHFFFAOYSA-N 246.354 3.606 30 20 BHED Cc1cccc(NN=C[C@H]2CCCC[C@@H]2C)n1 863160303 YORQPHIENWHIDF-WCQYABFASA-N 231.343 3.614 30 20 BHED Cc1cc(C)cc(C=Nn2cnc3ccccc32)c1 921258203 AIMANFWQOCVGHK-UHFFFAOYSA-N 249.317 3.535 30 20 BHED C=C[C@@H]1CCCCN1CCCCC1(C#N)CCC1 1334222990 BYPGKXONYHLYFY-OAHLLOKOSA-N 246.398 3.891 30 20 BHED C=C(CC)C(=O)Nc1cc(C)ccc1Cl 1521255386 OBVXSLKMUKXYLC-UHFFFAOYSA-N 223.703 3.553 30 20 BHED CCCCCCCOc1cccc(C#N)c1 59089310 GLLWHWGNKIRCFF-UHFFFAOYSA-N 217.312 3.907 30 20 BHED CCCCCCCC(=O)Nc1nc(C)cs1 104983236 SEWZHZVMAGTXMS-UHFFFAOYSA-N 240.372 3.751 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cc(C)sc1C 119316956 XWFHCGDGSFUYFU-PSASIEDQSA-N 209.358 3.590 30 20 BHED C[C@@H](CNc1cc(Cl)ccc1C#N)C1CC1 124665988 ZOSAIDWEVGGQOT-VIFPVBQESA-N 234.730 3.670 30 20 BHED CCCCCCC[S@](=O)c1ccccc1 153486647 RMKRUGFJAGKJNQ-OAHLLOKOSA-N 224.369 3.765 30 20 BHED C#CCCCN(C)[C@@H](C)c1ccccc1Cl 161101185 RSURJADVUKLIEK-LBPRGKRZSA-N 235.758 3.746 30 20 BHED CCCCCCCCS(=O)(=O)C(C)(C)C 202754588 BTZSICXYYCNQFQ-UHFFFAOYSA-N 234.405 3.560 30 20 BHED N#CCCCN[C@H](c1cccs1)C1CCCC1 271605694 AFPVVMMBJXZMAJ-AWEZNQCLSA-N 248.395 3.873 30 20 BHED N#Cc1cccc(Cl)c1NCc1cccs1 301165838 DNUSPTUFKSUSSO-UHFFFAOYSA-N 248.738 3.885 30 20 BHED C#C[C@@H](N[C@@H](CC)c1ccc(F)cc1)C(C)C 305966484 PGHULCMYXOZJPB-CABCVRRESA-N 233.330 3.524 30 20 BHED C=CCCCCNCc1ccc(F)c(C)c1 309245485 YDVDPOPLRRSELO-UHFFFAOYSA-N 221.319 3.580 30 20 BHED C[C@H]1CCCC[C@@H]1NC1CCC(C)(C#N)CC1 336207997 MOKHLHRHWUSWGU-LQULJDIASA-N 234.387 3.627 30 20 BHED C[C@H](CC1CC1)N[C@H](C)c1ccc(C#N)c(F)c1 346166160 FDABRBXMXCOFAL-GHMZBOCLSA-N 246.329 3.537 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1nc(C)cs1 393763940 OMUVAJMPIUMHSZ-CMPLNLGQSA-N 238.400 3.847 30 20 BHED C[C@@H](CCC1CC1)N[C@H](C)c1cccc(C#N)c1 398110607 YIWRKXZSIFIUBO-QWHCGFSZSA-N 242.366 3.788 30 20 BHED CC(C)(CCC#N)CNC[C@@H]1CCC[C@@H]1C1CC1 414479284 HBZBVKPSGCLFFO-LSDHHAIUSA-N 248.414 3.732 30 20 BHED C=CCC[C@@H](CCC)NCc1cc(C)cc(N)c1 423489036 ZZRNRPOAAYBFHL-MRXNPFEDSA-N 246.398 3.802 30 20 BHED C=CCC(C)(C)C(=O)Nc1cccc(F)c1F 429869994 RMJWMNTVLIJKTK-UHFFFAOYSA-N 239.265 3.506 30 20 BHED Cc1ccc(CN2CCCC(C)(C)[C@@H]2C#N)cc1 444734687 NYJOHOQVHYJDCY-HNNXBMFYSA-N 242.366 3.509 30 20 BHED C=C(C)CN(C)CC[C@H](C)c1ccccc1 446817608 IRGQBBRALBDNPD-AWEZNQCLSA-N 217.356 3.688 30 20 BHED CC#CCCSCCCCC(F)(F)F 462372470 KCLRRHZHHKZIQX-UHFFFAOYSA-N 224.291 3.866 30 20 BHED CC(C)C[C@@H]1CCCCCN1CC1(C#N)CC1 540550141 QYOFUVWVPFFVMZ-AWEZNQCLSA-N 234.387 3.581 30 20 BHED CCCC(C)(C)N(CC#N)Cc1cccs1 549081362 RKNHYMXOQKUVCH-UHFFFAOYSA-N 236.384 3.652 30 20 BHED CC1(C)CCN([C@@H]2CC[C@@H](C#N)C2)CC(C)(C)C1 595748362 FXUZQZBBLZXHSG-ZIAGYGMSSA-N 248.414 3.827 30 20 BHED N#C[C@@H](SCc1ccc(Cl)cc1)C1CC1 601069211 KMTIGSRMUBBYBW-GFCCVEGCSA-N 237.755 3.875 30 20 BHED C#CCCN1CC[C@@H](c2ccccc2)[C@H](CC)C1 752857559 RULPPVDAFYMWLQ-NVXWUHKLSA-N 241.378 3.525 30 20 BHED C#CCCCN1C[C@@H](C)C[C@@H]1c1ccccc1F 766903606 TUIZBNYUPPWWDG-XJKSGUPXSA-N 245.341 3.622 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C 779914034 SDNVZCQTJKLBIB-RBSFLKMASA-N 249.398 3.511 30 20 BHED N#Cc1ccc(NN=C2CCC23CCCC3)cc1 788711546 CCFRHTKWLKMULD-UHFFFAOYSA-N 239.322 3.680 30 20 BHED C=C[C@@](C)(CC)c1nc([C@@H](C)CCC)no1 809361879 ZGKKBONJHBZXHL-GWCFXTLKSA-N 222.332 3.827 30 20 BHED C1CCC2(C1)CCCC2=NN[C@@H]1C[C@H]2CC[C@H]1C2 814893140 FORQBERSQNISHI-MELADBBJSA-N 246.398 3.865 30 20 BHED CCC(=NNc1cccc(Cl)n1)c1ccco1 814939111 FMGAPYRWALRYPD-UHFFFAOYSA-N 249.701 3.554 30 20 BHED C=CCC(C)(C)c1noc([C@@H](F)C(C)C)n1 815705019 WEYOLHXGPZTQFI-VIFPVBQESA-N 226.295 3.590 30 20 BHED CC(=NNc1ccc(C#N)cc1)c1ccccc1C 915961649 IMDQALFSLNANCD-UHFFFAOYSA-N 249.317 3.703 30 20 BHED CCCCCCCC(=O)N[C@@H](C)[C@H](C)CC 919936161 JKSNBEDNHCIQAB-OLZOCXBDSA-N 227.392 3.898 30 20 BHED CC[C@@H]1[C@@H](C)CCN1CCC1(C#N)CCCCC1 1169582344 SNWBKSIHSUYWMB-LSDHHAIUSA-N 248.414 3.971 30 20 BHED C[C@@H]1CCc2ccccc2N1CCCCC#N 42224840 QLPDBUDQEGZFSU-CYBMUJFWSA-N 228.339 3.522 30 20 BHED CCC[C@H](C)N(C)c1ccc(C#N)c(Cl)c1 61850886 KAIIQOHQJGXUHX-JTQLQIEISA-N 236.746 3.836 30 20 BHED C=C(C)COCCN[C@@H](C)c1cccc(C)c1C 90451451 MYINABPVPHZKPU-HNNXBMFYSA-N 247.382 3.547 30 20 BHED N#Cc1c(F)cccc1Oc1cc(F)cc(F)c1 112012933 NIJWDYQYTLFRBQ-UHFFFAOYSA-N 249.191 3.768 30 20 BHED CC(C)CNc1ccc(C(F)(F)F)c(C#N)c1 124014587 CCJDZJBECSKMRP-UHFFFAOYSA-N 242.244 3.645 30 20 BHED SCc1ccc(Br)cc1Cl 160513770 UWCAARLCLHVLJM-UHFFFAOYSA-N 237.549 3.532 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cnc2ccsc2c1 163320217 CSILYBOEEJUWOC-WDEREUQCSA-N 246.379 3.912 30 20 BHED C=C(C)CCNc1ccc(Cl)c(F)c1 168968616 CIGPACRBCHTCLZ-UHFFFAOYSA-N 213.683 3.857 30 20 BHED CC[C@@H](c1ccccc1)N(CC)C[C@H](C)C#N 245727611 BSJUVNHXLSJNIT-HIFRSBDPSA-N 230.355 3.619 30 20 BHED C[C@@H](Sc1ccncc1)c1ccc(C#N)cc1 336606256 UKEBOMOCGXBUHU-LLVKDONJSA-N 240.331 3.807 30 20 BHED C=C[C@H](C)NCc1ccc(C2CCC2)cc1 382106050 IIYAFJLFHNINEC-LBPRGKRZSA-N 215.340 3.618 30 20 BHED C=CCC[C@H](CC)NCC(C)(C)c1cccnc1 414324758 BTAWWTNHVOKZLO-HNNXBMFYSA-N 246.398 3.694 30 20 BHED CC[C@@H](F)CSCc1ccc(C#N)cc1 442540587 JHQUPYUZSJIFNR-GFCCVEGCSA-N 223.316 3.540 30 20 BHED CCCC[C@H](CCC)CN[C@@H]1CC[C@@H](C#N)C1 442762355 DVJRQROIOUYSIT-RRFJBIMHSA-N 236.403 3.875 30 20 BHED C=CC(C)(C)c1nc(-c2ccc(F)c(C)c2)no1 453024475 OJKTWIADQXTCCG-UHFFFAOYSA-N 246.285 3.648 30 20 BHED Cc1cccc(CCCSCC2(C#N)CC2)c1 481943223 LOHMMZUQVKNWAQ-UHFFFAOYSA-N 245.391 3.965 30 20 BHED C=CCCCC(=O)N[C@@H](CCC)CCCC 482614345 FXQWCKZTOAHKJF-ZDUSSCGKSA-N 225.376 3.818 30 20 BHED C=CCN(C)CCSc1ccc(C)c(C)c1 494692125 WONSGDJGNXZSQY-UHFFFAOYSA-N 235.396 3.513 30 20 BHED C=C(C)CCc1noc(/C=C/c2cccs2)n1 508643814 PIOWVLZZQODPRY-SOFGYWHQSA-N 246.335 3.810 30 20 BHED CC1(C)C[C@@H]1Nc1cccc(C(F)F)c1C#N 519714649 SLGSCJLOVLTFGL-NSHDSACASA-N 236.265 3.706 30 20 BHED C[C@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)s1 520423903 PLLGGWKDIWGWOK-FZMZJTMJSA-N 248.395 3.630 30 20 BHED C=CCCC[C@@H](C)NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 540539218 VBXYOZJNSIXFED-CBBWQLFWSA-N 249.398 3.674 30 20 BHED C=CCCOc1ccc(-c2ccccc2)nc1 549520446 SUNWLSWZCVGHDK-UHFFFAOYSA-N 225.291 3.704 30 20 BHED CC(C)(CC#N)CSC1CCCCC1 563437999 BVPDXIBCEPRRIT-UHFFFAOYSA-N 211.374 3.992 30 20 BHED C/C=C\c1ccc(Nc2ccncc2C#N)cc1 576187175 DSXXODNIYQCTKC-IHWYPQMZSA-N 235.290 3.730 30 20 BHED CCc1cccc(C)c1NCC1(CC#N)CC1 594700382 FPGNSTOOZQACKD-UHFFFAOYSA-N 228.339 3.663 30 20 BHED C[C@@H](N[C@@H](C#N)c1ccccc1)C1CCCCC1 595409922 HFILSOMUFNWDCN-CJNGLKHVSA-N 242.366 3.810 30 20 BHED C=CCCNC(=O)C[C@H](c1ccccc1)C(C)C 617615213 CJVDLMVFXIRHMN-HNNXBMFYSA-N 245.366 3.509 30 20 BHED C=C[C@@H](C)N[C@@H](CC)CCc1ccccc1 623904468 BYZQBCULWHUJMA-HIFRSBDPSA-N 217.356 3.562 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCS[C@@H]1C 658042284 CACFLFRMHJJERM-SYQHCUMBSA-N 239.428 3.605 30 20 BHED C=CCCOc1ccccc1-c1ccnn1CC 665192233 GPJVJUDDXVUQMZ-UHFFFAOYSA-N 242.322 3.525 30 20 BHED N#CC1(C(=O)OCCC2CCCC2)CCCCC1 726349964 IJOXYUHJCLUAAQ-UHFFFAOYSA-N 249.354 3.584 30 20 BHED C=C(C)CCOC(=O)C[C@H](C)CC(C)(C)C 744304732 ZWQSYVSKWJLCHG-LBPRGKRZSA-N 226.360 3.958 30 20 BHED CCC/C=C/C(=O)O[C@@H](C)c1ccc(C#N)cc1 749063491 ZLCLSQUZVZZVOH-FYJFLYSWSA-N 243.306 3.519 30 20 BHED CCCCCCCN(C)[C@H](CO)c1ccccc1 749115114 HCNLTOWMYJYZKU-MRXNPFEDSA-N 249.398 3.622 30 20 BHED CCCCON=C(C)c1cc2ccccc2o1 754279683 NCPLSBIEYFJKKP-UHFFFAOYSA-N 231.295 3.974 30 20 BHED C[C@H]1C[C@@H]1C=NOc1ccccc1C(F)(F)F 754711901 CYIBRZXGZVIIKL-DTWKUNHWSA-N 243.228 3.726 30 20 BHED C=CCC(CC=C)C(=O)Oc1ccc(F)cc1C 755131843 GRPARVBKPUTDMP-UHFFFAOYSA-N 248.297 3.808 30 20 BHED C#CCCCN[C@H](c1ccccc1)C(C)(C)C 766913390 PPFXZUIELBVMDZ-OAHLLOKOSA-N 229.367 3.777 30 20 BHED C#CCC(C)(C)C(=O)O[C@H](C)c1ccccc1C 767100115 MZQQHRQYHYUXCN-CYBMUJFWSA-N 244.334 3.649 30 20 BHED CC[C@@H]1C[C@@H](C)CCC1=NOCC(F)(F)F 769585246 MQYLWCRTKRYCSD-DTWKUNHWSA-N 237.265 3.768 30 20 BHED C=CCC[C@@H](CC)N[C@H](C)COc1ccccc1 772950715 PDHIOUVRYLMUID-HUUCEWRRSA-N 247.382 3.788 30 20 BHED c1ccc2c(c1)OCCCC2=NOC1CCCC1 774603096 LMCBWGPBABFKEK-UHFFFAOYSA-N 245.322 3.523 30 20 BHED C#CCCCCCC(=O)Oc1ccc(F)cc1C 780007870 QHBHPQBFRJPXFF-UHFFFAOYSA-N 248.297 3.623 30 20 BHED C[C@H](NN=C[C@@]1(C)CCCS1)c1ccccc1 792988530 XHRCPMZJCHYCOV-GXTWGEPZSA-N 248.395 3.609 30 20 BHED CC[C@H](C)CON=C(C)c1ccccc1C 793146014 NWRBGMPSIHFRNV-NSHDSACASA-N 219.328 3.782 30 20 BHED CC[C@H](C)CON=C(C)[C@@H](OC)c1ccccc1 793160468 UVUAAMYLCRCGGR-SWLSCSKDSA-N 249.354 3.813 30 20 BHED C#C[C@@H](NC(=O)CC1(C)CCCCC1)C(C)(C)C 807884592 QEMRCGVZCDPBCB-CYBMUJFWSA-N 249.398 3.511 30 20 BHED CC(CCc1ccc(C)cc1)=NOCC1CC1 814243858 QKWMVUIJMXKIKB-UHFFFAOYSA-N 231.339 3.730 30 20 BHED CCCCCC(C)=NNc1ccc(C(=O)O)cc1 818194149 CZVPANZVGBJZIC-UHFFFAOYSA-N 248.326 3.753 30 20 BHED CCCON=C1CC(c2cc(F)cc(F)c2)C1 842551335 QJBHFKSRUQLRHH-UHFFFAOYSA-N 239.265 3.625 30 20 BHED C=CCc1ccccc1OC(=O)C1CC2(CC2)C1 850749805 WGGDURVEZPDRPQ-UHFFFAOYSA-N 242.318 3.511 30 20 BHED CC(C)ON=C[C@@H]1CCC[C@@H](C(F)(F)F)C1 853353631 IAKNVINRBWQBSR-NXEZZACHSA-N 237.265 3.766 30 20 BHED N#CCOc1cccc(OCCCC2CCC2)c1 853720812 LOZIQZUOWLRPDM-UHFFFAOYSA-N 245.322 3.548 30 20 BHED C=C(Cl)CSCCOc1ccc(F)cc1 913396187 PHRXNVQIKOCUKM-UHFFFAOYSA-N 246.734 3.690 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc(C(C)(C)O)cc1 925433611 ZSRMAAZGWCIKMY-CHWSQXEVSA-N 247.382 3.529 30 20 BHED N#Cc1cccc(CNCCC2=CCCCC2)c1 20093639 XLGAZENDRCRFDB-UHFFFAOYSA-N 240.350 3.538 30 20 BHED C#Cc1cccc(N[C@@H](CC)C(C)C)c1 37185162 PETGKJRHNXVGAP-AWEZNQCLSA-N 201.313 3.514 30 20 BHED C=C(C)CNc1ccc(C)cc1Br 41579855 YDDLMKWWDRDGJX-UHFFFAOYSA-N 240.144 3.746 30 20 BHED CCCCc1ccc(NC(=O)[C@@H](C#N)CC)cc1 44822606 JZDYZUJGHZLOTH-CYBMUJFWSA-N 244.338 3.517 30 20 BHED C[C@@H](C#N)Sc1ccc2ccccc2c1 47820333 WRUPFVZUBDBYOM-JTQLQIEISA-N 213.305 3.844 30 20 BHED C=CCCCC(=O)Nc1ccc(Cl)cc1C 177487210 OUDKVIWMWAJLOC-UHFFFAOYSA-N 237.730 3.943 30 20 BHED C=CC[C@H](C(=O)NC(CC)CC)c1ccccc1 186009037 YKNWRSXGOPPNIH-HNNXBMFYSA-N 245.366 3.651 30 20 BHED CC(C)SCc1ccc(Cl)cc1C#N 260789503 KJOCPTFVQBMWLN-UHFFFAOYSA-N 225.744 3.853 30 20 BHED C=CCCNc1cccc(CC(F)(F)F)c1 266260110 YWPVUPGIBFFUJW-UHFFFAOYSA-N 229.245 3.779 30 20 BHED N#C[C@@H]1CC[C@@H](N2CCC[C@@H]2c2ccsc2)C1 293489315 MXOJACIHZAGJLO-MRVWCRGKSA-N 246.379 3.577 30 20 BHED C=CC[C@H](CC)N[C@H](C)Cc1ccsc1 309167902 JXDGRTSRIMAPCL-YPMHNXCESA-N 223.385 3.623 30 20 BHED C[C@H]1C[C@H](Nc2cccc(CC#N)c2)CC[C@H]1C 313483894 USYLFOIVSMTNEA-DVOMOZLQSA-N 242.366 3.989 30 20 BHED C=C(CC)CN[C@@H]1CCSc2ccccc21 313484897 SAJFKRAFHYMWLN-CYBMUJFWSA-N 233.380 3.779 30 20 BHED CC(C)(C#N)Cc1nc(C2CCCCCC2)no1 335363758 VJVVCUWQIJPJSQ-UHFFFAOYSA-N 247.342 3.600 30 20 BHED N#Cc1cc(Cl)cc(O[C@H]2C=CCCC2)c1 390055265 MRCPWKTVGPPZPU-LBPRGKRZSA-N 233.698 3.699 30 20 BHED CC[C@@H](C)CN(CC)[C@@H](C)c1ccc(C#N)cc1 409445293 DMGJIFBPJCMBSG-KGLIPLIRSA-N 244.382 3.987 30 20 BHED CC(C)(C#N)CCCN1CCC[C@@H]1C(C)(C)C 472231444 GCQKUMLAWXTDHR-CYBMUJFWSA-N 236.403 3.827 30 20 BHED C=C(C)CN(CC)Cc1ccsc1Cl 483147966 KSXMBLZAXMWJSD-UHFFFAOYSA-N 229.776 3.800 30 20 BHED C=CCS[C@H](C)c1cc([N+](=O)[O-])ccc1C 486072688 BAKLCTKVUISQNQ-SNVBAGLBSA-N 237.324 3.883 30 20 BHED C=CCCCC[C@@H](C)NC1Cc2ccccc2C1 553102909 MPXKEFDXXZMDHQ-CQSZACIVSA-N 243.394 3.878 30 20 BHED C=CC(C)(C)CNC(=O)C[C@@H]1CCCC[C@@H]1C 556396387 LOCPFKLBMXCJFE-STQMWFEESA-N 237.387 3.531 30 20 BHED C=CCC[C@H](N[C@@H]1CCC[C@H](F)C1)C1CC1 565657088 XDLOJILMYMAEJE-MJBXVCDLSA-N 225.351 3.602 30 20 BHED C[C@@H]1CC[C@H](Sc2ccc(C#N)cc2)C1 569006258 LYRDJAHLTDWKQZ-MFKMUULPSA-N 217.337 3.839 30 20 BHED Cc1cn(Cc2cc(F)ccc2Cl)cc1C#N 571364395 RYCMVRLUJROMJR-UHFFFAOYSA-N 248.688 3.509 30 20 BHED Cc1ccc([C@@H](C)N(C)C[C@@H](C)CCC#N)cc1 602437828 DGEQJIFGSFMQIH-LSDHHAIUSA-N 244.382 3.928 30 20 BHED Cc1ccc(SCCCCC(C)(C)C#N)nn1 603315768 FZHBNVCZYPCLOV-UHFFFAOYSA-N 249.383 3.597 30 20 BHED N#C[C@H]1CC[C@H](Nc2ccc(C3CC3)cc2)C1 619673248 PFNCMULBEAEACM-NHYWBVRUSA-N 226.323 3.668 30 20 BHED C=CCCC(C)(C)NC(=O)C[C@H]1C=CCCC1 620857101 NLGZSTPEKXPPKN-ZDUSSCGKSA-N 235.371 3.594 30 20 BHED CCCN(CC)CCCCC1(C#N)CCC1 675075989 YGHFXIDPGKZJKT-UHFFFAOYSA-N 222.376 3.582 30 20 BHED C#C[C@H](NCc1cc2ccccc2o1)C(C)(C)C 702248319 WEJLPWXCSACZGB-HNNXBMFYSA-N 241.334 3.570 30 20 BHED Cc1cc([C@H](C)N[C@H](C)CC(C)(C)C#N)c(C)o1 709981981 QDTDLXDYYLIALT-PWSUYJOCSA-N 248.370 3.875 30 20 BHED C[C@H]1CCCCC1=NNCCCc1ccccc1 729146455 XWIWSSMKCBQLJN-AWEZNQCLSA-N 244.382 3.775 30 20 BHED Cc1ccccc1C1CC(=NOCC(C)C)C1 749631722 PDROTTCQMOGWAK-UHFFFAOYSA-N 231.339 3.901 30 20 BHED C=C(Cl)CN1CC[C@H](c2ccccc2)[C@H]1C 751775881 IXIPFKKRUVWHCD-OCCSQVGLSA-N 235.758 3.617 30 20 BHED CCCCCCC(C)=NO[C@H]1CCCCO1 755817570 MKULTGDGRRSHQE-ZDUSSCGKSA-N 227.348 3.876 30 20 BHED Clc1cscc1C=NNc1ccccc1 771871327 BBARVQWQRPEYAI-UHFFFAOYSA-N 236.727 3.848 30 20 BHED CCc1oc2ccccc2c1C=NN[C@@H](C)CC 790183616 NZBHFMHYEXOJMS-NSHDSACASA-N 244.338 3.717 30 20 BHED CCCNN=C1CCC[C@@H](CC(C)C)C1 794493587 JYGUXLAKLPRVSG-LBPRGKRZSA-N 210.365 3.578 30 20 BHED CCC[C@H](C)C(CC)=NOCCSC 794573096 QKHXSBODZKHYJX-JTQLQIEISA-N 217.378 3.568 30 20 BHED CC(=NOC1CCCCC1)c1cc(C)c(C)o1 799886023 SCMVUGGOGXMHHP-UHFFFAOYSA-N 235.327 3.970 30 20 BHED C#C[C@@H](N[C@H](CC)Cc1cccs1)C(C)(C)C 809780927 AONYNCSGGKNEFW-TZMCWYRMSA-N 249.423 3.707 30 20 BHED C[C@H](NN=C[C@@H]1CCCC[C@@H]1C)c1ccncc1 819817279 ZJQZKPCENCTRDF-YDHLFZDLSA-N 245.370 3.544 30 20 BHED C=CCCCCC[C@H](C)NCc1cnc(C)o1 839170602 OUUOHEYGYWMECX-LBPRGKRZSA-N 236.359 3.598 30 20 BHED C=C[C@@H](C)ON=Cc1ccc(C(F)(F)F)s1 844626044 RKMDFFWRWGIGEB-SSDOTTSWSA-N 249.257 3.692 30 20 BHED C=C(C)C(C)(C)C(=O)OC[C@@H](CC)CC(F)F 845758094 ULHYBNUUPDEJEY-JTQLQIEISA-N 248.313 3.813 30 20 BHED Cc1cc(CN[C@H](C)CC(C)(C)C#N)ccc1F 924595847 YVOBZLRVTBHBIY-GFCCVEGCSA-N 248.345 3.552 30 20 BHED C=C(Cl)CN[C@@H](C)[C@@H]1CCC[C@H](C)C1 1618570575 ZIACLDJHEFYDJD-ZMLRMANQSA-N 215.768 3.543 30 20 BHED CCC(CC)CN(CC)Cc1ccc(C#N)cc1 42337954 HTCUSCKBHAKQPT-UHFFFAOYSA-N 244.382 3.816 30 20 BHED CC[C@@H](Nc1ccc(C#N)cn1)c1cccs1 49531303 YWMJGVCBGZEFLO-LLVKDONJSA-N 243.335 3.578 30 20 BHED C=CCCCN(C)[C@H]1CC[C@H](SCC)C1 76071424 UPUUQAOTDNWJPB-STQMWFEESA-N 227.417 3.559 30 20 BHED CC(C)(C#N)CCN1CCC2(CCCCC2)CC1 87595549 CQOSTXUEEAOFKI-UHFFFAOYSA-N 248.414 3.973 30 20 BHED N#Cc1cc(-c2ccccc2)nc2ccc(F)cc12 91692472 YQNCHVHYHUNPHM-UHFFFAOYSA-N 248.260 3.913 30 20 BHED C=CCC(CC=C)C(=O)N[C@H]1CCCC[C@@H]1CC 123230910 MITFQSKHUXQEQH-ZFWWWQNUSA-N 249.398 3.840 30 20 BHED C=CC[C@@H](C)NCc1cc(C)c(C)cc1C 124254716 IJPRZTORZPLQDD-CQSZACIVSA-N 217.356 3.666 30 20 BHED C#CCCCCC(=O)NCC1(C)CCCCCC1 127867328 OLBMGJVFQOWRFA-UHFFFAOYSA-N 249.398 3.657 30 20 BHED CC[C@@H]1CCCN(Cc2cc(C#N)cs2)CC1 128851716 OPFVHHAYYXQRRC-GFCCVEGCSA-N 248.395 3.632 30 20 BHED C=CCC[C@H](NCC1(C)CCCC1)C1CC1 129493627 NSMLSBNSMRZKOU-AWEZNQCLSA-N 221.388 3.901 30 20 BHED C=CCC[C@@H](Nc1cccc(F)c1)C1CC1 134125450 PKRZBPZFEOAINR-CQSZACIVSA-N 219.303 3.982 30 20 BHED N#CCCSCCCCc1ccccc1 185081127 NQYIJSMMQVITDW-UHFFFAOYSA-N 219.353 3.656 30 20 BHED C#C[C@H](CCC)N[C@@H](CC)c1ccccc1 233358627 OBBYATNTXZBGPF-CABCVRRESA-N 215.340 3.529 30 20 BHED CS[C@@H]1CCC[C@H](Nc2cccc(C#N)c2)C1 235245489 ZBGUQFMPSOQPAP-UONOGXRCSA-N 246.379 3.644 30 20 BHED C=CCCc1noc([C@@H](SCC)C(C)C)n1 296225160 AASFNTPCHRRDQL-NSHDSACASA-N 240.372 3.638 30 20 BHED C=CC[C@@H](CC)Nc1nnc(C(C)(C)C)s1 310042792 ZSPZRFYKARKCCY-SECBINFHSA-N 239.388 3.602 30 20 BHED C=CCCCSc1nccn1C(C)C 344143912 BKEIHIPZDPGVOC-UHFFFAOYSA-N 210.346 3.522 30 20 BHED Cc1ccc(F)c(/C=C\c2ccncc2C#N)c1 349105160 GCLPIWFJVSWWCS-ARJAWSKDSA-N 238.265 3.571 30 20 BHED C=C(C)CCc1noc([C@H]2CCC(C)(C)C2)n1 351622762 MJNBDIJWDBIBCB-NSHDSACASA-N 234.343 3.872 30 20 BHED CC[C@H](C)C[C@H](C)NCc1ccc(C#N)c(C)c1 444001922 MALPRZBRSGKEJS-JSGCOSHPSA-N 244.382 3.781 30 20 BHED CCC[C@H](CC)S[C@H]1CC[C@H](C#N)C1 450939282 KTTXACAWKISXFH-SRVKXCTJSA-N 211.374 3.991 30 20 BHED CC#CCSCc1ccn(C(CC)CC)n1 464093195 NTYLKQSIDBXCAW-UHFFFAOYSA-N 236.384 3.501 30 20 BHED C=C(C)CN(C)C[C@H](CC)c1ccccc1 497160986 KNWBWCNJLSTKPA-AWEZNQCLSA-N 217.356 3.688 30 20 BHED C[C@H]1CCCC[C@@H]1CN1CCC(CCC#N)CC1 569123411 LNLAOYGURZQIRS-GOEBONIOSA-N 248.414 3.828 30 20 BHED C=CCCCCN(C)Cc1cccs1 583303445 DIZFWTCCDFJSPS-UHFFFAOYSA-N 209.358 3.536 30 20 BHED CCN(CCC#N)Cc1cccc(C(C)C)c1 595332244 HLTQSHKAUMZJRR-UHFFFAOYSA-N 230.355 3.546 30 20 BHED C=CCCCCSCC[C@@H]1CCCC1=O 600632435 WEFXEQYXJKSQER-LBPRGKRZSA-N 226.385 3.835 30 20 BHED C=CCC1(NC[C@@H](C)CCC#N)CCCCC1 602683706 KTXYMQOWTDXXTC-AWEZNQCLSA-N 234.387 3.795 30 20 BHED C=CCCCCCSCc1nc(CC)no1 618658389 VIABFNPCLYPQBI-UHFFFAOYSA-N 240.372 3.612 30 20 BHED C=CCCN[C@H]1CC=C(c2ccc(F)cc2)CC1 658116213 ZRNYUJJCPHWFDU-INIZCTEOSA-N 245.341 3.927 30 20 BHED C[C@H](CC(C)(C)C#N)NCC(C)(C)C(C)(C)C 695836013 LOVNGJYAGGJICZ-GFCCVEGCSA-N 238.419 3.977 30 20 BHED C[C@@H]1CCCC1=NNc1ccc2ccccc2n1 729141109 SJFZZRIYJCTQDK-LLVKDONJSA-N 239.322 3.823 30 20 BHED C=CCCOC(=O)[C@@H](c1ccccc1)[C@H](C)CC 740176563 SHFTUJPVIMDKNE-UKRRQHHQSA-N 246.350 3.936 30 20 BHED C=CCN(Cc1ccc(C)cc1C)C(C)C 746148187 VCURAGHXSWQKOM-UHFFFAOYSA-N 217.356 3.700 30 20 BHED CC(=NOCC(C)C)c1cc(C)ccc1C 749632203 WMUOUTINYPABCE-UHFFFAOYSA-N 219.328 3.700 30 20 BHED CC#CCCCC(=O)O[C@H](CC)c1ccccc1 767121201 AFNVQFIXKIBXBY-OAHLLOKOSA-N 244.334 3.875 30 20 BHED C=C(C)CNc1ccn(-c2ccccc2Cl)n1 767808027 GIDXEUMGYJCHDT-UHFFFAOYSA-N 247.729 3.514 30 20 BHED COc1cccc(NN=C[C@@H]2CCC[C@@H](C)C2)c1 768355708 POQLAQMCFUHYDH-CHWSQXEVSA-N 246.354 3.919 30 20 BHED CC(CCC1CC1)=NNc1cccc([N+](=O)[O-])c1 768764411 SIBOZBUMMJQUPH-UHFFFAOYSA-N 247.298 3.573 30 20 BHED Cc1ccoc1C(=O)/C=C\c1ccc(Cl)nc1 769784478 XCHDEZOUAYDKCJ-RQOWECAXSA-N 247.681 3.533 30 20 BHED C=C(CC)COC(=O)C[C@H](C)c1ccccc1 773425614 VDHKUHZPBDLGLO-ZDUSSCGKSA-N 232.323 3.690 30 20 BHED C=CCCN(C)C(=S)Nc1cc(C)ccc1C 786083911 SFSDJNDLENMPTC-UHFFFAOYSA-N 248.395 3.508 30 20 BHED C#CCCCOc1cc(C)nc2cc(C)ccc12 786754994 ZJYDUPZBSKPDHH-UHFFFAOYSA-N 239.318 3.644 30 20 BHED CC[C@H](C)NN=C1CC[C@H](C)C[C@@H]1CC 790191876 ZAAHBBXQALQJEP-SRVKXCTJSA-N 210.365 3.577 30 20 BHED C=C(C)CCOC(=O)C(C)(C)C1CCCC1 803408967 QMQMXLGKWAEVOE-UHFFFAOYSA-N 224.344 3.712 30 20 BHED CCCC[C@H](C)C(C)=NOCc1cccnc1 807979755 XNPDUWDVODZTCB-LBPRGKRZSA-N 234.343 3.800 30 20 BHED C[C@H]1C[C@@H]1c1ccc(C=NOCCC2CC2)o1 814246729 CUTLDUDYQWGEOT-GWCFXTLKSA-N 233.311 3.554 30 20 BHED Fc1cccc(Cl)c1NN=C1CC2(CC2)C1 814905548 YSUBARANHDHJOA-UHFFFAOYSA-N 238.693 3.821 30 20 BHED C[C@H]1CCC(=NNc2ccc(F)c(F)c2F)C1 814946681 TZIAJZGLSDKBPN-ZETCQYMHSA-N 242.244 3.692 30 20 BHED C=C(Cl)CSCCOc1cccc(F)c1 915223239 DLBJMWWYYJDUCC-UHFFFAOYSA-N 246.734 3.690 30 20 BHED C[C@@H](S[C@H](C#N)C1CC1)c1ccccc1F 1643668882 QKORPBJVUQHPDO-NOZJJQNGSA-N 235.327 3.922 30 20 BHED C#CCCCOc1ccc2ccccc2c1 75421190 TYUQPNPMBSNXCD-UHFFFAOYSA-N 210.276 3.632 30 20 BHED C[C@@H]1CC[C@@H](NCCCC(C)(C)C#N)[C@H](C)C1 87598417 GUMJZGGCKWBUII-MGPQQGTHSA-N 236.403 3.731 30 20 BHED C=CC[C@@H](C)NCc1ccc2nc(C)ccc2c1 97861969 YCKYTNRMEDWRRI-GFCCVEGCSA-N 240.350 3.597 30 20 BHED CCc1ccc([C@@H](CC)NCCCCC#N)cc1 178644588 RAGKJINJPSBJHW-MRXNPFEDSA-N 244.382 3.984 30 20 BHED C#CCCCCC(=O)Nc1cccc(Cl)c1C 179612105 IAGVPPCGNWGCRL-UHFFFAOYSA-N 249.741 3.781 30 20 BHED C=CC[C@@H](C)N[C@H]1CCCOc2cc(C)ccc21 180951969 OBYXJRYSUICDSJ-HIFRSBDPSA-N 245.366 3.763 30 20 BHED C=CCC[C@@H](CCC)N[C@H](CCO)C(C)(C)C 185194686 TUJBEVFAJOKEPE-ZIAGYGMSSA-N 241.419 3.508 30 20 BHED CCCCCCCC(=O)N[C@@H](C)c1ccccn1 192570838 CMDWKUZRQRNYMK-ZDUSSCGKSA-N 248.370 3.619 30 20 BHED CC[C@@H](C#N)S[C@H](C)c1ccccc1OC 275644333 JOXJHGZAJIJLFJ-MNOVXSKESA-N 235.352 3.792 30 20 BHED Cc1ccc(S[C@@H]2CC[C@@H](C#N)C2)cc1 278657982 WTAMVQJORCRVMJ-DGCLKSJQSA-N 217.337 3.779 30 20 BHED C#C[C@@H](NC(=O)CCCCCCCC)C(C)C 304201736 ZWFCOUCAWAFODU-CQSZACIVSA-N 237.387 3.511 30 20 BHED C=CCC[C@@H](NCCCC(F)(F)F)C1CC1 309549954 FNNBHLXQSSGAAH-LLVKDONJSA-N 235.293 3.663 30 20 BHED CC[C@@H](NCCCC(C)(C)C#N)C(C)(C)C 309628291 GJBYETVOATWALH-GFCCVEGCSA-N 224.392 3.731 30 20 BHED C[C@H]1CCC[C@@H](CN(CC#N)C2CCCC2)C1 310149438 OPKXZHIZRACFCO-UONOGXRCSA-N 234.387 3.581 30 20 BHED CC[C@H](Nc1cccc(OCC#N)c1)C1CCC1 322577698 UCTZKYPLXLSYMN-HNNXBMFYSA-N 244.338 3.580 30 20 BHED N#Cc1ccn(Cc2ccc3ccccc3c2)c1 339196009 JPNCTRBRCNWGFF-UHFFFAOYSA-N 232.286 3.561 30 20 BHED C=CCC[C@H](C)N[C@@H](CC(F)(F)F)C(C)C 381451886 GZBPXPHFKPICCW-QWRGUYRKSA-N 237.309 3.908 30 20 BHED N#Cc1ccc(N[C@@H]2CC[C@H](F)C2)cc1Cl 381809272 HARVXKCWRPGEHO-VHSXEESVSA-N 238.693 3.514 30 20 BHED C=CCCN[C@H](CC(F)F)c1ccccc1 420996701 QWAPEEDYDDSNBA-GFCCVEGCSA-N 225.282 3.549 30 20 BHED CC(C)[C@@H]1CCCN(c2ccc(F)cc2C#N)C1 443993589 LXMSRXAGNKTSIY-GFCCVEGCSA-N 246.329 3.570 30 20 BHED C=CC[C@H](C)NC(=O)[C@@H](CCC)CC(C)C 449889814 RFLBZSQSMAYQJC-STQMWFEESA-N 225.376 3.530 30 20 BHED C=CCC[C@H](C)NC1(Cc2ccccc2)CC1 480706763 FWEKKHWHMBNHGM-AWEZNQCLSA-N 229.367 3.706 30 20 BHED C=CCN(CCC(C)(C)C#N)CC1CCCCC1 539588899 VPMPDTSJXCHECG-UHFFFAOYSA-N 248.414 3.995 30 20 BHED Cc1ccc(C)c(N(CC2(C#N)CC2)C(C)C)c1 540550504 ZTEOYOZPHHVOLE-UHFFFAOYSA-N 242.366 3.822 30 20 BHED CC[C@@H](C)[C@H](C)NC1(c2cccc(C#N)c2)CC1 560265561 HKSQXWCLLRCYCP-OLZOCXBDSA-N 242.366 3.572 30 20 BHED N#CC1(CSC[C@@H]2CCCCC2(F)F)CC1 596397852 YFCDBSBCKXLJMK-JTQLQIEISA-N 245.338 3.849 30 20 BHED C=CC[C@H]1CCCN(C(=O)CC[C@@H](C)CC)C1 617778202 ADSTXPAKVHBRGW-KBPBESRZSA-N 237.387 3.627 30 20 BHED C=CCC1(C(=O)NC[C@@H](C)C2CC2)CCCCC1 648190049 RQLICRZANKAKAZ-CYBMUJFWSA-N 249.398 3.675 30 20 BHED C=CC[C@H](CC)Nc1nc(-c2ccccc2)no1 685919202 CRAUSMGEFOIZRV-LBPRGKRZSA-N 243.310 3.503 30 20 BHED CCc1ccccc1C/N=C\c1ccccc1O 740616892 WLZGBHSVALYBMY-ATVHPVEESA-N 239.318 3.574 30 20 BHED C=CCCOC(=O)[C@H](C)CCCCCC 744048809 CFLLNLDOUVSZTK-GFCCVEGCSA-N 212.333 3.712 30 20 BHED CCCCNN=C(CC)C1CCCCC1 750935097 VPMUEPKMZDUJJY-UHFFFAOYSA-N 210.365 3.722 30 20 BHED Cc1cc(F)ccc1NN=Cc1sccc1C 750938994 SDAOAIOOHSKDAY-UHFFFAOYSA-N 248.326 3.950 30 20 BHED CC1=CCC[C@@H](C)[C@H]1C=NOCc1cccnc1 773210094 VNFUDPFYABQMSQ-HIFRSBDPSA-N 244.338 3.576 30 20 BHED C#CCCCCC(=O)N[C@@H]1CCCC[C@H]1CCC 773322478 ORTNKZFAWPCYGG-HUUCEWRRSA-N 249.398 3.655 30 20 BHED C#CCCCOc1ccccc1-c1nccs1 783568124 MEUKFZAWXCERRL-UHFFFAOYSA-N 243.331 3.602 30 20 BHED C[C@@H](NN=Cc1cccc2[nH]ccc12)C(C)(C)C 793115536 RMLIXCZBBFIGPX-LLVKDONJSA-N 243.354 3.526 30 20 BHED C=C(CNC(=O)C=C(CC)CC)c1ccccc1 805250188 OPXBXSVEGZDFPH-UHFFFAOYSA-N 243.350 3.562 30 20 BHED C#Cc1ccc(CNc2cccc(C)c2)cc1 809595279 ISXXTGVPGNVXII-UHFFFAOYSA-N 221.303 3.588 30 20 BHED C#C[C@H](N[C@@H]1CC[C@@H](c2ccccc2)C1)C(C)C 809685697 LSODJOISVVPROS-ZACQAIPSSA-N 241.378 3.570 30 20 BHED CC1(C)CCCCC1=NOC/C=C/Cl 811669683 ICTPILJVEMFREQ-RTBKZALTSA-N 215.724 3.712 30 20 BHED C[C@H]1CC(=NOC/C=C\Cl)c2ccccc21 811669816 JOKDKCMYZJFKAB-GLGXBIQNSA-N 235.714 3.667 30 20 BHED CC[C@@H](C)CON=C1CCC[C@@H]1C(C)(C)C#N 814939226 IVWOHMKMLWJCHH-NEPJUHHUSA-N 236.359 3.755 30 20 BHED CC(=NOC(C)C)[C@@H]1C[C@H]1c1cccs1 841641999 ZNZSGIPTJBSBES-WDEREUQCSA-N 223.341 3.653 30 20 BHED C[C@H]1CCCCCC1=NOCCC(F)(F)F 844591599 OREHNRVAFHPMBF-VIFPVBQESA-N 237.265 3.912 30 20 BHED CCCCNN=Cc1c(Cl)cccc1Cl 915966518 VSTCUMRMHAEUJT-UHFFFAOYSA-N 245.153 3.717 30 20 BHED Cc1ccc(C=NNc2ccccc2Cl)o1 916262450 GJGAYVLMCWNOOT-UHFFFAOYSA-N 234.686 3.687 30 20 BHED CC(CSC(C)(C)C)=NOC(C)(C)C 1320325571 OWOJEAFOMUMUAE-UHFFFAOYSA-N 217.378 3.709 30 20 BHED C=CCn1c(SCC(C)C)nc2ccccc21 34783809 UCMUZOWCYNXJJW-UHFFFAOYSA-N 246.379 3.970 30 20 BHED C[C@H]1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 42240523 HKVOLPLBDCFBOS-XJKSGUPXSA-N 242.366 3.569 30 20 BHED Cc1cc(NCc2cccc(C#N)c2)ccc1F 61096772 PGRWAHGEZPPMLX-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C[C@@H]1CCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 82424933 HJXIBMFSAQCDNL-RNCFNFMXSA-N 234.730 3.812 30 20 BHED C[C@@H](/N=C/c1ccccc1O)C1CCCCC1 90733571 GREZNKALTFQFLK-PILJQMSFSA-N 231.339 3.780 30 20 BHED C=CCCCn1ccc2c([N+](=O)[O-])cccc21 135119696 JRZLTOMGQINTDC-UHFFFAOYSA-N 230.267 3.516 30 20 BHED C=CCCCC(=O)N(CC)[C@H]1CCCC[C@H]1C 177807748 DHPFDXUCKHPYRA-KGLIPLIRSA-N 237.387 3.770 30 20 BHED C=C(C)C[C@H](C)C(=O)Nc1ccsc1Cl 187887446 IJLXQHRIBOQSLA-QMMMGPOBSA-N 243.759 3.942 30 20 BHED C=CCCCCCOc1cc(C=O)ccc1OC 234839475 OREZDDSGKGQEHG-UHFFFAOYSA-N 248.322 3.633 30 20 BHED Cc1ccccc1C=NOCc1cccc(F)c1 255598053 ZVDZKORYHXUUSD-UHFFFAOYSA-N 243.281 3.685 30 20 BHED C=CCCCCCCN[C@H](C)c1cn(C)nc1C 286926870 FXIIBEYMZYQCTJ-CYBMUJFWSA-N 249.402 3.516 30 20 BHED CC(C)C[C@@H](C)CN[C@@H](C)c1ccc(C#N)cc1 302447307 WZVPSVQDTPBDIV-KGLIPLIRSA-N 244.382 3.891 30 20 BHED C=CCC[C@H](NCC(=C)C)c1ccccc1 309324963 GHDIMKQZIIZUFB-HNNXBMFYSA-N 215.340 3.860 30 20 BHED C=CCCC1(C(=O)NCC2(CCC)CCC2)CC1 356438092 RENGUTRBBZEQCN-UHFFFAOYSA-N 249.398 3.819 30 20 BHED C=CC[C@@H](CC)NCc1cccc(OC(C)C)c1 393792144 HOWVERKWTJROCO-OAHLLOKOSA-N 247.382 3.918 30 20 BHED C=CCC[C@@H](CCC)NC1(C(C)C)CC1 393907939 PJLUIZFZZLKYSK-CYBMUJFWSA-N 209.377 3.900 30 20 BHED CC(C)=CCCNc1nc(C)c(C#N)cc1Cl 397807918 YOWIQNNZGRRVKW-UHFFFAOYSA-N 249.745 3.683 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1CS[C@@H](C)C1 414219753 BNYQQOAOQMPXED-AVGNSLFASA-N 227.417 3.605 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 431799943 VIRJNCSNSKMNDU-XDQVBPFNSA-N 249.398 3.530 30 20 BHED CCC1(CNc2ncc(C#N)cc2Cl)CCC1 439599169 RZOKRVVFOLVDNA-UHFFFAOYSA-N 249.745 3.599 30 20 BHED C=CC(C)(C)CNC(=O)C1CCC(C)(C)CC1 452775818 PLJPNRSXMNQLRC-UHFFFAOYSA-N 237.387 3.531 30 20 BHED C=CC(C)(C)CN[C@H](C)c1sccc1OC 453306463 JPFOTVFJEBXGHG-SNVBAGLBSA-N 239.384 3.620 30 20 BHED CCC[C@@]1(C)CCCN(CCC(C)(C)C#N)C1 538488523 JKJURCGWTFDVHN-HNNXBMFYSA-N 236.403 3.828 30 20 BHED CCC[C@@H](CC)N[C@H](C)c1ccc(C#N)c(F)c1 538506849 FUPIUIWNXYMOBN-BXUZGUMPSA-N 248.345 3.927 30 20 BHED C=CCN(C(=O)C[C@@H]1CCCCC1(C)C)C1CC1 540192697 MUHPQECBQAGMLD-ZDUSSCGKSA-N 249.398 3.770 30 20 BHED C=CCOc1ccc(CN[C@@H]2CC[C@@H]2CC)cc1 558255981 QAFXKCVXTMDGSE-GOEBONIOSA-N 245.366 3.530 30 20 BHED C=C(C)CN1CCC(Cc2ccccc2F)CC1 562047077 OZNIFMZOFVNNDB-UHFFFAOYSA-N 247.357 3.656 30 20 BHED CC(C)(CCC#N)CN[C@@H]1[C@@H]2CCC[C@@H]2C1(C)C 595052763 VLKUXBVWRMWWCV-HZSPNIEDSA-N 248.414 3.731 30 20 BHED Cc1cccc2c1C/C(=C\c1ccccc1)C2=O 729151362 RROLYSVVYVFUSS-GXDHUFHOSA-N 234.298 3.817 30 20 BHED CCCCCCCC(=O)N1CCCC(C)(C)C1 732969238 VGZMYRNZTDPAQH-UHFFFAOYSA-N 239.403 3.996 30 20 BHED CCc1ccc(/C=C\C(=O)c2cncs2)cc1 735793420 YNSNNPXJWJTNCU-FPLPWBNLSA-N 243.331 3.602 30 20 BHED C=CCN(CC=C)C(=O)C[C@@H](C)CCCCC 742466151 SAKOAOSLNDSXBE-AWEZNQCLSA-N 237.387 3.794 30 20 BHED C=CCCOC(=O)[C@@H](C)CCCCCC 744048810 CFLLNLDOUVSZTK-LBPRGKRZSA-N 212.333 3.712 30 20 BHED CC(=NO[C@H]1CCCCO1)[C@H](C)c1ccccc1 755820961 HBKMMGSPRQKJQL-WFASDCNBSA-N 247.338 3.709 30 20 BHED C=CCCC[C@H](C)NC(=O)/C(C)=C(/C)CC 780034885 ZQHXKDNYDJYKCM-KLDSGFLGSA-N 223.360 3.594 30 20 BHED C=CCN(C)C(=O)[C@](C)(CC)CCCCC 781038302 MDTUGFQGAWUZNX-CQSZACIVSA-N 225.376 3.627 30 20 BHED Cc1cccc(C)c1C=NNCCC(C)(C)C 782903265 SVKFMAOMNHCXGO-UHFFFAOYSA-N 232.371 3.663 30 20 BHED C=C[C@](C)(CC)C(=O)NCc1c(C)cccc1C 785597192 IWIXMIBQKPDKCI-MRXNPFEDSA-N 245.366 3.522 30 20 BHED C/C=C/C[S@@](=O)CCCCCCCC 790140876 YQCJKQYEJGGGEM-YVARQFDVSA-N 216.390 3.672 30 20 BHED CC[C@H](C)CON=Cc1cccc2cccnc12 793146683 UJINAFDXOOBPPC-LBPRGKRZSA-N 242.322 3.631 30 20 BHED C=C(C)COC(=O)c1oc2c(F)cccc2c1C 804193658 VQFQQKOGQANSDW-UHFFFAOYSA-N 248.253 3.613 30 20 BHED C#CC(C)(C)NC(=O)[C@@H](CC)CCCCCC 813452714 QDDZYBIUUSSCJM-ZDUSSCGKSA-N 237.387 3.511 30 20 BHED FC(F)(F)[C@@H]1CCCC(=NOCCC2CC2)C1 814245571 YDMCZFNIWIHCIA-SNVBAGLBSA-N 249.276 3.912 30 20 BHED CCC(C=NNc1ncccc1Cl)CC 917549341 MGJXGBYWNKDLCL-UHFFFAOYSA-N 225.723 3.569 30 20 BHED CCCCCCCCc1nnc(C2CC2)o1 1254043446 REJAOBCLIOCPCN-UHFFFAOYSA-N 222.332 3.850 30 20 BHED C=CCN(C(=O)C1C[C@H]2CCC[C@H](C1)C2)C(C)C 1329639820 MTAOVIWRWDGRKO-KBPBESRZSA-N 249.398 3.626 30 20 BHED C=C(C)CCC(=O)Nc1ccccc1Cl 1335365882 CTSGDOBFENIBMT-UHFFFAOYSA-N 223.703 3.635 30 20 BHED C=C1CCC(C(=O)OC[C@@H](C)CC(F)F)CC1 1343503499 VABOHMXLKSJCJA-JTQLQIEISA-N 246.297 3.567 30 20 BHED C[C@H]1CCCC[C@@H]1COc1ccc(C#N)cc1F 1651870176 LMQPUJYZRHXZAY-WCQYABFASA-N 247.313 3.902 30 20 BHED CCCCSCCCOc1ccc(C#N)cc1 36333061 KCSZYDARIGEGDE-UHFFFAOYSA-N 249.379 3.860 30 20 BHED C[C@H](NC[C@@H]1CC=CCC1)c1cccc(C#N)c1 45629218 BAISLEUPNYYHFO-UONOGXRCSA-N 240.350 3.565 30 20 BHED C=C(C)CSc1nc(-c2ccccc2)c[nH]1 48425583 VVLUVWDTCPIORE-UHFFFAOYSA-N 230.336 3.745 30 20 BHED N#CCC1(COc2cccc3ccccc23)CC1 88257431 FTDHEWXXZUFYPY-UHFFFAOYSA-N 237.302 3.912 30 20 BHED Cc1ccc(F)cc1NCC(C)(C)CCC#N 92142706 OEVQDCDOSCBHLE-UHFFFAOYSA-N 234.318 3.876 30 20 BHED O=C1/C(=C/c2ccsc2)Cc2cc(F)ccc21 114992243 MMQLZFSIJRYFCN-VZUCSPMQSA-N 244.290 3.710 30 20 BHED C=CC[C@H](C)N[C@H]1CCCc2ccccc21 116907842 KNJPTSOBRSQKLE-WFASDCNBSA-N 215.340 3.618 30 20 BHED C=CCC(CC=C)C(=O)N[C@H](C)CCC(C)C 121957011 QFEPFNLBZWUCSD-CYBMUJFWSA-N 237.387 3.696 30 20 BHED CC(C)(C#N)CNC1CCC(C(C)(C)C)CC1 168938895 JQKIFSUQAMZYHE-UHFFFAOYSA-N 236.403 3.731 30 20 BHED CC(C)(C#N)CCCCN1CC[C@@H]2CCCC[C@@H]21 232531620 CINWXAFVYHYVIC-GJZGRUSLSA-N 248.414 3.971 30 20 BHED C=CCCCCCn1ccnc1CCC 233387979 BZZGCGCFOJDYHP-UHFFFAOYSA-N 206.333 3.582 30 20 BHED CN(CCCCC(C)(C)C#N)C1CCCCC1 234271145 IAMBNEGQNLVTTA-UHFFFAOYSA-N 236.403 3.971 30 20 BHED C=CCCCCCCN[C@@H](C)c1nccs1 287102567 QDDWUMXULDACFS-LBPRGKRZSA-N 238.400 3.930 30 20 BHED C=CCCCCCCN[C@@H](C)c1cncs1 287245722 ZDKHFWMANDQZJO-LBPRGKRZSA-N 238.400 3.930 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1c(C)cc(C)cc1O 294642536 GIZFYOCDYCWAAE-STQMWFEESA-N 233.355 3.624 30 20 BHED C[C@H]1CN(CCCCC(C)(C)C#N)C(C)(C)C1 310044737 PPBIWZXJESJPHV-CYBMUJFWSA-N 236.403 3.827 30 20 BHED C[C@H]1CC[C@H](C(O)=Nc2cccc3ocnc23)C1 328900947 YNAWWXUOQOLRFW-UWVGGRQHSA-N 244.294 3.852 30 20 BHED C=CCC[C@@H](C)NC1CCC(F)(F)CC1 336764065 PVAHTUSGOPDFCH-SNVBAGLBSA-N 217.303 3.509 30 20 BHED Cc1csc(CNc2ccc(C#N)cc2F)c1 344624565 JFQFDBUINJXZNV-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C[C@H](CCc1ccccc1)SCCC#N 413014002 PPIBXBWRGCHMMG-GFCCVEGCSA-N 219.353 3.655 30 20 BHED CC[C@@H](NC1CCC(C)(C#N)CC1)[C@H]1CC1(C)C 417400733 KYHYAULFNNQQJA-MYMJJRTCSA-N 248.414 3.873 30 20 BHED C[C@@H](CC1CCCCC1)N[C@H]1CC[C@@H](C#N)C1 442861049 MCYNYCNKUQIKDM-CFVMTHIKSA-N 234.387 3.627 30 20 BHED C=CC[C@@H]1N(Cc2cccn2C)CCCC1(C)C 446833497 SPSSHWKBJAPHGU-HNNXBMFYSA-N 246.398 3.592 30 20 BHED C=CC[C@H](C)[C@H](C)NCc1cc(C)cs1 449475052 DXSSGTWAKUJQFL-RYUDHWBXSA-N 223.385 3.747 30 20 BHED CC(C)CC(CC(C)C)N[C@@H]1CC[C@@H](C#N)C1 471581891 RMIHXNCARNNWQZ-ZIAGYGMSSA-N 236.403 3.729 30 20 BHED C=C(C)CCSCCN(C)Cc1ccccc1 506394675 KQNCHCPFRRIASK-UHFFFAOYSA-N 249.423 3.818 30 20 BHED C=C(C)CN1CCC[C@H]1Cc1ccccc1C 514177605 FQVVCCMVRGVZLM-INIZCTEOSA-N 229.367 3.578 30 20 BHED C=CCCCN1CC[C@H](c2cccc(F)c2)C1 518251521 OAZUUZGGAVAYOS-AWEZNQCLSA-N 233.330 3.581 30 20 BHED CC#CCN1CCC[C@@H]1c1cccc(Cl)c1 525120730 QOOIQKNPITXGJC-CQSZACIVSA-N 233.742 3.500 30 20 BHED Cc1cccc(C)c1[C@@H](C)NCCC(C)(C)C#N 546227016 MUSLMIUMMSQBHD-CQSZACIVSA-N 244.382 3.894 30 20 BHED C=CC(C)(C)CNC(=O)C[C@@H]1CCCC[C@H]1C 556396385 LOCPFKLBMXCJFE-OLZOCXBDSA-N 237.387 3.531 30 20 BHED CC[C@@H](CC#N)N[C@H]1CCc2c(Cl)cccc21 568181590 XUDVMUMQIAMNQP-HZMBPMFUSA-N 248.757 3.609 30 20 BHED C=C(C)CCNc1cc(C#N)ccc1OC(C)C 577539017 JHNLSVGFQVMYMJ-UHFFFAOYSA-N 244.338 3.724 30 20 BHED C[C@H](CN(CCC#N)CC1CC1)C1CCCCC1 581614805 JFNYQKUGBDRVTR-CQSZACIVSA-N 248.414 3.828 30 20 BHED Cc1cccc(C(C)(C)NC[C@@H](C)CCC#N)c1 602550856 DJSOLVPJHUTHLY-AWEZNQCLSA-N 244.382 3.760 30 20 BHED CCC#C[C@H](C)N[C@@H](C)c1ccc(SC)cc1 685005050 LWWCHYNWGBHJRU-STQMWFEESA-N 247.407 3.861 30 20 BHED C=C(Cl)CN(C1CC1)[C@@H](C)[C@@H](C)CC 729544224 BOKJFGHVLGIBAP-ONGXEEELSA-N 215.768 3.638 30 20 BHED CCC(CC)NN=Cc1ccc(OC(C)C)cc1 734364910 KROOPLZPKVVYCD-UHFFFAOYSA-N 248.370 3.586 30 20 BHED CCCCCCCCCn1nnnc1C(C)C 743824316 YQWQWDCJOBCGOH-UHFFFAOYSA-N 238.379 3.547 30 20 BHED C[C@@H](C#N)OC(=O)C=C1CCC(C(C)(C)C)CC1 767596215 CALONQLXMYFJCD-AMGKYWFPSA-N 249.354 3.604 30 20 BHED CCCCCCCCCN(C)C(=O)C(C)(C)F 768336916 AHHVAZHQGMSGMD-UHFFFAOYSA-N 245.382 3.944 30 20 BHED C(=NOC1CCCC1)c1ccnc2ccccc12 774602424 KBWSDQJMKYKWMT-UHFFFAOYSA-N 240.306 3.528 30 20 BHED CCCCCCCC(=O)OCCC(C)(C)C#N 776375479 HDCSSTMBZONUFZ-UHFFFAOYSA-N 239.359 3.830 30 20 BHED CC(C)CON=C[C@H](OC(C)C)c1ccccc1 793033896 FNYIWHKYCAUQLR-HNNXBMFYSA-N 249.354 3.811 30 20 BHED CC[C@@H]1C[C@@H](C)CCC1=NNc1cccc(F)n1 795009628 FSARILPWBQXHHA-WDEREUQCSA-N 249.333 3.835 30 20 BHED CCCCCC(C)(C)CN[C@@H]1CC[C@H](C#N)C1 799719041 DYMNMXFXIVOIAB-UONOGXRCSA-N 236.403 3.875 30 20 BHED C#Cc1cccc(NC2CCC(C)(C#N)CC2)c1 824175621 BIYFALHXSRXBPE-UHFFFAOYSA-N 238.334 3.552 30 20 BHED FC(F)(F)CNN=C1CCC(=C2CCC2)CC1 853334077 ONHNYVDQGUKPBZ-UHFFFAOYSA-N 246.276 3.549 30 20 BHED C=CC[C@H](C)C(C)=NNc1ccc(Cl)cn1 853437431 NJZCVZUJMBPKSR-VIFPVBQESA-N 237.734 3.735 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@](C)(F)CCCC 854646906 JXVQMJCJGFCHQU-AWEZNQCLSA-N 243.366 3.623 30 20 BHED C=CCC[C@@H](CC)N[C@H](c1ccccn1)C1CC1 903338475 IEJSFROEAYFUTH-ZBFHGGJFSA-N 244.382 3.867 30 20 BHED CSc1ccccc1C(C)=NOC(C)(C)C 1339887111 YOZUCQNNWRTGIU-UHFFFAOYSA-N 237.368 3.948 30 20 BHED CC1=CCC[C@H](C)[C@@H]1C=NOC(C)(C)C 1341691748 LWZZDHVDSYDRGL-NWDGAFQWSA-N 209.333 3.780 30 20 BHED Cc1cc(C#N)cc(N[C@@H]2CC[C@@H]2C2CCC2)c1 1664992702 XXELNNTXXBFTSE-HZPDHXFCSA-N 240.350 3.857 30 20 BHED Cc1cccc(/C=C/C(=O)c2ccc(C#N)cc2)c1 16405948 WNWNNFJAGPTXDS-JXMROGBWSA-N 247.297 3.763 30 20 BHED CCCCCCCC[C@@H](O)CCCCC(=O)O 79525082 XQMCCPUZOKUEHG-CYBMUJFWSA-N 244.375 3.743 30 20 BHED C=CC1CCN(C(=O)C[C@@H]2CCC[C@H](C)C2)CC1 110363991 IUUSVNATINWPMA-DZGCQCFKSA-N 249.398 3.627 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cc(C)c(F)c(C)c1 122994728 SECWLSYAQHYZJT-NEPJUHHUSA-N 221.319 3.668 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)COc1ccc(C)cc1 130571358 UNBADASNPXSOAJ-CABCVRRESA-N 247.382 3.707 30 20 BHED C=CCCCC[C@@H](C)NCc1csc(C)n1 131930511 GHWGCVUPWNNXCM-LLVKDONJSA-N 238.400 3.676 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 163312853 YKTLBKHJKPRCQI-NEPJUHHUSA-N 248.326 3.518 30 20 BHED CCCCCCCC(=O)Nc1cccnc1C 175213840 CSDWGBFPLADLCP-UHFFFAOYSA-N 234.343 3.689 30 20 BHED C#CCCCN[C@H](C)c1ccccc1SCC 178055819 IMOHTYWCZDRRBX-CYBMUJFWSA-N 247.407 3.863 30 20 BHED CC#CCCCC(=O)N[C@@H]1CCC[C@H](C(C)C)C1 185474894 WCUQXXCFELPMEX-LSDHHAIUSA-N 249.398 3.511 30 20 BHED N#C[C@@H](C(=O)c1ccccc1)C1CCCCC1 261507737 LQHFDNIUFOFHNF-CQSZACIVSA-N 227.307 3.589 30 20 BHED CC(C)(CCC#N)CNc1ncc(Cl)s1 309021362 XEPINMWSZGXQPE-UHFFFAOYSA-N 243.763 3.538 30 20 BHED C=C(CC)CNC1(c2cccc(Cl)c2)CC1 309646223 WDLPNZHGKSINMS-UHFFFAOYSA-N 235.758 3.885 30 20 BHED CCCCCCCN[C@@H]1CCC[C@H](C#N)C1 310021677 NQCNHTGBYNJMDZ-UONOGXRCSA-N 222.376 3.629 30 20 BHED O/C(=N/C1CCC1)c1coc(C2CCCCC2)n1 328748990 PWKOHOYSAZOAIZ-UHFFFAOYSA-N 248.326 3.579 30 20 BHED Cc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1Cl 381540614 HRQXJNFEIRTDAN-WDEREUQCSA-N 234.730 3.753 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[C@H](C)C1 424607608 LFDYIUYNHAAGGN-STQMWFEESA-N 237.387 3.531 30 20 BHED C=C[C@H]1CCCCN1Cc1scnc1C1CC1 426570071 HWVWKXYEJBESJO-LBPRGKRZSA-N 248.395 3.561 30 20 BHED CC(C)=CCSc1cccc(F)c1C#N 447685622 AESCVOAMPZUOFQ-UHFFFAOYSA-N 221.300 3.756 30 20 BHED CC#CCCN(CC)Cc1ccc(Cl)s1 462308867 ARTLNBINZAALTP-UHFFFAOYSA-N 241.787 3.637 30 20 BHED CCCC[C@H](CC)CN[C@H]1CCC[C@H](C#N)C1 463285050 SRJZQZMEYYTLBM-KKUMJFAQSA-N 236.403 3.875 30 20 BHED C=CC[C@H](CC)NC(=O)[C@H](CC)CCCC 466535983 KPSZOFHVIOYKRG-OLZOCXBDSA-N 225.376 3.674 30 20 BHED C=CCCN(C)C[C@H](CC)c1ccccc1 467373493 MVQJZMMSGHAZPY-AWEZNQCLSA-N 217.356 3.688 30 20 BHED C=CCC[C@@H](C)NCCC1CCC(OC)CC1 541764690 JYQJBBVRGNQQFE-WLYUNCDWSA-N 239.403 3.526 30 20 BHED C=C(C)CN(CC)C(=O)[C@@H](C)CCC(C)(C)C 544401871 WDGXXCAAKDNAEN-ZDUSSCGKSA-N 239.403 3.873 30 20 BHED C=CCC[C@H](CCC)N[C@@H](C)c1ccnc(O)c1 550860493 KDYIJAOEVTTYBO-JSGCOSHPSA-N 248.370 3.573 30 20 BHED C=CCCCCSCc1conc1CC 569940656 HPKZEXJZMJGBAC-UHFFFAOYSA-N 225.357 3.827 30 20 BHED C=CCC[C@@H](CC)NCCC1(CSC)CC1 595074982 VRPYFDOURCDFHY-CYBMUJFWSA-N 241.444 3.854 30 20 BHED C[C@H](CCC#N)CN1[C@H]2CCCC[C@H]2C[C@H]1C 602473531 OJIDHZNFSBENRK-KBXIAJHMSA-N 234.387 3.579 30 20 BHED CC[C@H](CC#N)N[C@@H](C)[C@@H]1C[C@H]1c1cccs1 602613218 UENTYVYIEZLDLW-QNWHQSFQSA-N 248.395 3.522 30 20 BHED C=CCCS[C@H](C)c1ccccc1[N+](=O)[O-] 610315531 VRLXFOCYFWACQE-SNVBAGLBSA-N 237.324 3.965 30 20 BHED C=CC[C@H]1CCCN(C(=O)C2(CCC)CCC2)C1 617782505 GXXLBBCGZNVCDU-AWEZNQCLSA-N 249.398 3.772 30 20 BHED C=CCCC(C)(C)NC(=O)C[C@H](C)CCC 620861172 FAKJSNMDXDLDBD-GFCCVEGCSA-N 225.376 3.674 30 20 BHED CC(=NNc1ccc(C)cc1)C1CCCC1 733077820 NHRLFQWTCKRDMM-UHFFFAOYSA-N 216.328 3.973 30 20 BHED CCC(=NNc1c(F)cccc1F)C1CC1 741164446 LPRDZUNMZHCKAK-UHFFFAOYSA-N 224.254 3.553 30 20 BHED CC[C@H](C)C[C@@H](C)/N=C/c1ccccc1O 743042451 LEDUXAMJJBNYCC-XFEZRSPJSA-N 219.328 3.636 30 20 BHED CCC(=NNc1ccccn1)C1CCCCC1 750920807 DHISOOFNOVCSOL-UHFFFAOYSA-N 231.343 3.840 30 20 BHED C=CCCC(CC)=NNc1ccccc1C(=O)O 750933775 MDEPIXBGIKDCFZ-UHFFFAOYSA-N 246.310 3.529 30 20 BHED Cc1ccc(F)c(NN=CC2CCCC2)c1 759667324 RZWQROSVMCAETM-UHFFFAOYSA-N 220.291 3.722 30 20 BHED CC(C)=CCCC(C)=NOCC(F)(F)F 764847306 ZGRUPXDZOCMMGI-UHFFFAOYSA-N 223.238 3.688 30 20 BHED C#CCCCCN[C@H](C)CCc1ccc(C)cc1 773038541 TXZHMHQIBDLMNJ-MRXNPFEDSA-N 243.394 3.709 30 20 BHED Cc1ccc(F)cc1C=NNc1ccccc1F 777882512 YRANUQJZXWCDFZ-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C=CC[C@@H](C(=O)OCC(=C)CC)c1ccccc1 778426838 HSOCCDHKNKMBLS-OAHLLOKOSA-N 244.334 3.856 30 20 BHED CCCCCCCCC(=O)NCC=C(C)C 791001814 DFQBWPWZKPQCMC-UHFFFAOYSA-N 225.376 3.819 30 20 BHED C=CC[C@H](CC)NC(=S)Nc1cccc(C)c1 798374953 BNQSNZQEOUDFIM-LBPRGKRZSA-N 248.395 3.636 30 20 BHED CC(C)C[C@@H](C)C=NNc1ccccc1 799105289 SCNSNYUDHCARCT-GFCCVEGCSA-N 204.317 3.767 30 20 BHED FCCC[C@@H]1CCCC1=NNCc1ccccc1 800808655 XAKYPASWGDSDBP-AWEZNQCLSA-N 248.345 3.682 30 20 BHED C=C(CNC(=O)/C(C)=C(/C)CC)c1ccccc1 809245153 URBMUTAYCYFPHV-OWBHPGMISA-N 243.350 3.562 30 20 BHED C[C@@H]1CC(C)(C)CCC1=NOC1CCC1 812236838 WJEMYMNFIYXHDZ-SNVBAGLBSA-N 209.333 3.758 30 20 BHED Cc1ccc(C=NNc2ccccc2F)s1 812458425 BZJNFAMLWAOQDA-UHFFFAOYSA-N 234.299 3.642 30 20 BHED CCC(C[C@@H](C)CC)=NN[C@H](C)c1ccncc1 819814718 DYUJGOWFPFJZAK-QWHCGFSZSA-N 247.386 3.934 30 20 BHED C=C[C@@H](CC)CC(=O)N1CC(C2CCCCC2)C1 820735804 ZLIDTAUAHKFMGG-ZDUSSCGKSA-N 249.398 3.627 30 20 BHED CCC[C@@H](C)C=NNc1cccc(C(=O)O)c1C 844625358 ZVTORHOHSOJISY-SNVBAGLBSA-N 248.326 3.527 30 20 BHED CSCCON=C1CCC(=C2CCC2)CC1 853341621 SDTGJMDRIOQURK-UHFFFAOYSA-N 239.384 3.777 30 20 BHED C=CCCNC(=O)[C@H](CCCCC)C(C)C 855382579 ZVICVRPFSOHNTD-CYBMUJFWSA-N 225.376 3.531 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1c(O)cccc1F 886605192 LMPGSBMFEQKUML-QWRGUYRKSA-N 237.318 3.537 30 20 BHED CC[C@H](c1ccc(F)cc1)N1CCC[C@H](C#N)C1 932156962 UMJJSZOFORJRGD-IUODEOHRSA-N 246.329 3.512 30 20 BHED C=C(C)CCC(=O)N1CCC[C@H]1[C@@H](C)CCC 1358047672 YXGIKZVXEVLLEP-KBPBESRZSA-N 237.387 3.770 30 20 BHED C=C(Cl)COc1c(C)cc(Cl)cc1C#N 1613875528 BHQGUWZHEGKPFP-UHFFFAOYSA-N 242.105 3.651 30 20 BHED CCC[C@@H](NCC(C)(C)CC#N)[C@H]1CC1(C)C 1659994810 GIHSFLCSABQOII-CHWSQXEVSA-N 236.403 3.731 30 20 BHED N#Cc1cc(F)cc(NC2CC3(CCCC3)C2)c1 1665454112 MBRRXVZXVHZYLC-UHFFFAOYSA-N 244.313 3.832 30 20 BHED Cc1ccc(OCc2ccccc2C#N)cc1C 11834113 JMVFHOYTWAFZKX-UHFFFAOYSA-N 237.302 3.754 30 20 BHED Cc1ccc(COc2ccccc2C#N)cc1C 49668747 ZYXODYHYVOUIQX-UHFFFAOYSA-N 237.302 3.754 30 20 BHED CCCCCCCCCCN(C)CC#N 88378904 JBBMHOKNYLMQQN-UHFFFAOYSA-N 210.365 3.582 30 20 BHED C[C@H]1CCCCC[C@@H]1NCc1cccc(C#N)c1 88505773 TWZCGNRBIBRQCU-BBRMVZONSA-N 242.366 3.617 30 20 BHED CC(C)c1ccc([C@@H](NCC#N)C(C)C)cc1 127041754 YPGDFOLWPVFDRW-HNNXBMFYSA-N 230.355 3.620 30 20 BHED C=CCCN[C@H](CC(C)C)c1ccccc1 162158630 WOOYYJMEZSORQQ-OAHLLOKOSA-N 217.356 3.940 30 20 BHED CC[C@@H](NCCCCC#N)c1ccccc1F 180429757 LBKRCDMXEHJKMX-CQSZACIVSA-N 234.318 3.560 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1cnn(C(C)C)c1 182185169 OHTHIZQBFRQNNC-ZIAGYGMSSA-N 249.402 3.859 30 20 BHED CC/C=C/CCNc1ccccc1O[C@@H](C)C#N 185135015 JANRNTIASYHSHK-IHVVCDCBSA-N 244.338 3.746 30 20 BHED C=CC[C@@H](C)[C@@H](C)Nc1ccccc1CCOC 191577739 XJMXHKASRKKWMD-ZIAGYGMSSA-N 247.382 3.888 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1cccc(O)c1 192035653 KMQBAUXWVTXJRR-RWMBFGLXSA-N 233.355 3.644 30 20 BHED CCCC[C@H](CCC)Nc1cccc(C#N)n1 226033083 GEGLJNBFYRHENP-LBPRGKRZSA-N 231.343 3.724 30 20 BHED C=CCC[C@H](C)N[C@@H]1CC[C@@H](C)C[C@@H]1C 228612126 RUSHHZIGJORLHB-ZOBORPQBSA-N 209.377 3.755 30 20 BHED Cc1ccc(Nc2c(C#N)cccc2C#N)cc1C 302492123 ZHUYPFYLZXRHAO-UHFFFAOYSA-N 247.301 3.790 30 20 BHED C=CCCSc1nc(C)c(C)n1CC(C)C 303857849 WBFVMNNPNDOTDJ-UHFFFAOYSA-N 238.400 3.824 30 20 BHED C=C(CC)CNCc1ccc(OC(C)C)cc1 313534762 KSFVMYYZZOJBEY-UHFFFAOYSA-N 233.355 3.530 30 20 BHED C[C@@H](CC#N)N(C)CCC1CCCCCC1 347785572 QRMFWGHOAFPUBE-ZDUSSCGKSA-N 222.376 3.581 30 20 BHED C=C(C)CN(CCCC)Cc1cnn(C(C)C)c1 352898637 ALMZAIYUIBQFBF-UHFFFAOYSA-N 249.402 3.642 30 20 BHED C=CC[C@H](CC)N[C@H]1CCc2c(F)cccc21 393771386 HINPXPGJTLGZOO-NHYWBVRUSA-N 233.330 3.757 30 20 BHED CC[C@H](C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 404091097 UGSUDRHVZDAMOI-NWDGAFQWSA-N 248.345 3.612 30 20 BHED CC(C)c1[nH]nc(C2CCCC2)c1CCC#N 409439049 GEQANOQDLLBMDO-UHFFFAOYSA-N 231.343 3.647 30 20 BHED C[C@@H]1CCCCN1CCC1(C#N)CCCCC1 411158364 SKNFGYCHRCYUFK-CQSZACIVSA-N 234.387 3.725 30 20 BHED CCC[C@H](C)[C@@H](CC)NCC(C)(C)CC#N 414173752 XHUPCIOKROOIFH-QWHCGFSZSA-N 224.392 3.731 30 20 BHED C=C(CC)CN[C@@H]1CCC[C@@H](c2cccnc2)C1 449736284 UXFIUINLIYPAJP-GDBMZVCRSA-N 244.382 3.664 30 20 BHED CC(C)(CN[C@@H]1CCC[C@H](C#N)C1)C1=CCCC1 453388028 FOQPUUYQUYNNNR-DZGCQCFKSA-N 246.398 3.795 30 20 BHED CC#CCCN(C)Cc1cccc2ccccc12 462323632 DAQDGVSREFDKEO-UHFFFAOYSA-N 237.346 3.685 30 20 BHED C=CCC(CC=C)C(=O)NC[C@@H]1CCCC[C@@H]1C 467333836 DNZKPLSRYFPPIG-ZFWWWQNUSA-N 249.398 3.697 30 20 BHED C=C(C)CCN1CC[C@@H](Cc2ccccc2)C1 509684148 KVFQCSCCTBUAMN-INIZCTEOSA-N 229.367 3.517 30 20 BHED C[C@H](N(C)Cc1ccc(F)cc1C#N)C(C)(C)C 533249658 LBZGPIURAKHXFR-NSHDSACASA-N 248.345 3.564 30 20 BHED C=CCN[C@H](C)c1ccc(F)c2ccccc12 559845110 RFYPCZPFYAWYOC-LLVKDONJSA-N 229.298 3.816 30 20 BHED C=CCCN1C[C@@H](C)C[C@@H]1c1ccccc1F 608502339 BIKQYTXTFSMCIG-SWLSCSKDSA-N 233.330 3.785 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCC(F)(F)C1 657955312 ZQTYMUBSQUDWBQ-AGIUHOORSA-N 243.341 3.899 30 20 BHED N#CCC1(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 723669247 LMPIUTWGGJHKIX-RBSFLKMASA-N 246.398 3.629 30 20 BHED CC(=NOCC(C)C)c1ccc2ccccc2n1 749636518 NVBVBBHMAJECAH-UHFFFAOYSA-N 242.322 3.631 30 20 BHED CCCC(=NO[C@H]1CCCCO1)c1ccccc1 755822645 LSBZGTCXWIURRA-HNNXBMFYSA-N 247.338 3.734 30 20 BHED C=C(C)CCOC(=O)c1cc(F)cc(Cl)c1 757319653 YGQJZYSSYJKSDF-UHFFFAOYSA-N 242.677 3.602 30 20 BHED CCC[C@@H](C)C(CC)=NOCC(F)(F)F 764846509 JNWWDJCCNASEGY-MRVPVSSYSA-N 225.254 3.768 30 20 BHED CCCCCCCN1CCC[C@@]1(C)CCCO 776598744 VJFDSWTUSAGPLU-HNNXBMFYSA-N 241.419 3.584 30 20 BHED CC(=NNCCC(C)(C)C)C1CCCC1 782903693 YQNIQVDVNPFNNQ-UHFFFAOYSA-N 210.365 3.578 30 20 BHED CCc1ccccc1NN=C[C@@]1(C)CCCS1 792974546 UCLHMBVYRFVTSO-CQSZACIVSA-N 248.395 3.932 30 20 BHED C#CCN(C(=O)CC[C@H](C)CC)C1CCCCC1 795784608 RFSFFDNJLWJTSF-CQSZACIVSA-N 249.398 3.607 30 20 BHED C[C@@H](/N=C/c1ccccc1O)c1ccsc1 800790786 UTTYPUZNJUTJJN-WWNSAXIVSA-N 231.320 3.634 30 20 BHED CSCCON=C(C)[C@H]1CCCC[C@H]1C 834975563 OPGXMZQOJGXECD-PWSUYJOCSA-N 229.389 3.568 30 20 BHED C[C@H](CC(C)(C)C#N)OC(=O)C1=CCCCCC1 851205548 HPQCJGOPTDGOIR-GFCCVEGCSA-N 249.354 3.748 30 20 BHED CC[C@H](C)[C@@H](C)C(=O)O[C@@H](C)CC(C)(C)C#N 851207690 GBZLOEFDFLELBQ-SDDRHHMPSA-N 239.359 3.540 30 20 BHED C=CCN(C/C(Cl)=C\Cl)C(C)(C)C 852554124 CXDJXYCXRVJFAE-VQHVLOKHSA-N 222.159 3.592 30 20 BHED CCC[C@@H](C)c1noc(C(C#N)(CC)CC)n1 858680890 BBZRVBHLAICTEV-SNVBAGLBSA-N 235.331 3.555 30 20 BHED C#CCCCS[C@@H](COC)c1ccccc1 901660901 DIRMBVPPPAODOS-AWEZNQCLSA-N 234.364 3.521 30 20 BHED CCCCCCCC(=O)N1CCC(CC)CC1 918360788 SMOCQNCKPNJQME-UHFFFAOYSA-N 239.403 3.996 30 20 BHED C=C(C)CCC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 1335825376 XHHAZEIFEPDYSU-CZUORRHYSA-N 243.350 3.562 30 20 BHED Cc1cccnc1SCc1ccc(C#N)s1 1613839707 COLIWDNYNSTJDF-UHFFFAOYSA-N 246.360 3.616 30 20 BHED C(#Cc1nc2ccccc2s1)c1ccccc1 3173517 QYJZAKHWVZBDEI-UHFFFAOYSA-N 235.311 3.696 30 20 BHED O=C(/C=C\c1cccs1)c1ccsc1 17222016 WJVQHLMTEUFIKK-ARJAWSKDSA-N 220.318 3.706 30 20 BHED N#CCCN[C@H]1CCCC[C@@H]1C1CCCCC1 35009889 ZHAHILHATLIGPI-CABCVRRESA-N 234.387 3.629 30 20 BHED C[C@H]1CCC[C@@H](C)N(Cc2cc(C#N)cs2)C1 93509328 XVSIUSDHBCQUSX-NWDGAFQWSA-N 248.395 3.630 30 20 BHED C[C@H](CNc1ccc(C#N)cc1F)C(C)(C)C 96609790 CEDVTNOJCQEDDN-SNVBAGLBSA-N 234.318 3.791 30 20 BHED C=CCCCSCCOc1ccccc1C#N 117943644 KFDUQWWVYLXZJI-UHFFFAOYSA-N 247.363 3.636 30 20 BHED C#CCCCCC(=O)N(C1CC1)[C@@H](C)[C@@H](C)CC 120109479 ITYJOTXQLYYZGC-KBPBESRZSA-N 249.398 3.606 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cc(Cl)ccc1OC 122985791 VSHPSCVJEXHYRU-NXEZZACHSA-N 239.746 3.574 30 20 BHED C=C(C)CN[C@@H](C)c1ccccc1C(F)(F)F 128503404 QZDRCWFCCAYZFR-JTQLQIEISA-N 243.272 3.932 30 20 BHED C#CCCCCN[C@@H]1CCC[C@@H]1CCCC 130733408 UTJJKTJLNZACLG-LSDHHAIUSA-N 221.388 3.738 30 20 BHED C#CCCCCNC[C@@H]1CCC[C@@H](CC)C1 134858974 VAXGHAXYRPNFER-HUUCEWRRSA-N 221.388 3.596 30 20 BHED C=CCCCC(=O)Nc1ccccc1OC(C)C 177534173 UVBFDCCAPWHEOH-UHFFFAOYSA-N 247.338 3.769 30 20 BHED Cc1ccc(C(=O)/C=C\c2cccnc2)c(C)c1 208865204 WNLUVVOFEHDUGP-VURMDHGXSA-N 237.302 3.595 30 20 BHED C[C@@H]1CCCCC[C@@H]1NCC(C)(C)CCC#N 229697669 QEBGTNGLYGGTEN-KGLIPLIRSA-N 236.403 3.875 30 20 BHED C[C@@H]1OCC[C@H]1SCCCCC(C)(C)C#N 235300819 RXEVSPATGUVMLD-NWDGAFQWSA-N 241.400 3.617 30 20 BHED CC[C@@H](NCCCC#N)c1ccc(Cl)s1 273191498 GXERXBIRFKFIPB-SECBINFHSA-N 242.775 3.746 30 20 BHED C=CCC[C@H](NC[C@H](C)SC)c1ccco1 276383788 ABFOVYIAODQNTE-RYUDHWBXSA-N 239.384 3.628 30 20 BHED C=CCC(CC=C)C(=O)NC1(CC)CCCC1 296136552 MAXOOFRMRMFAFA-UHFFFAOYSA-N 235.371 3.594 30 20 BHED C=CCC(C)(C)CNCc1cccc(OCC)c1 310813813 GIAJURXPICQRIE-UHFFFAOYSA-N 247.382 3.777 30 20 BHED C[C@@H]1CCC[C@H](C(O)=Nc2ncc(C3CC3)[nH]2)C1 329475376 SYLIVKFTZXAJDU-KOLCDFICSA-N 247.342 3.701 30 20 BHED N#CCCSCc1ccccc1C1CC1 341501651 PCKLYVQKDALODZ-UHFFFAOYSA-N 217.337 3.711 30 20 BHED Cc1ccc([C@H]2CCCN2CCCCC#N)cc1 368877100 OGJJBODRUJEVDY-MRXNPFEDSA-N 242.366 3.826 30 20 BHED C=C(C)CNc1ccc(C)cc1OCCC 381477284 RJAUVESUIKCDOJ-UHFFFAOYSA-N 219.328 3.772 30 20 BHED C=CC[C@H](CC)NC(=O)CC1CCC(C)CC1 410146963 FPUUKXYRRLDSOT-RUXDESIVSA-N 237.387 3.674 30 20 BHED Cc1ccc2c(c1)[C@H](NCC(C)(C)CC#N)CC2 414171750 VEEBQXZHKUZNNU-OAHLLOKOSA-N 242.366 3.512 30 20 BHED CC[C@H](F)CSc1ccc(C#N)cc1F 440581404 MRRNKYZMDGYYBS-VIFPVBQESA-N 227.279 3.538 30 20 BHED C=CCC[C@H](NC[C@@H]1CCCC1(F)F)C1CC1 453315020 GKMSFIQAJLPJFF-STQMWFEESA-N 243.341 3.756 30 20 BHED C=C(C)CCN[C@H](c1ccc(C)o1)C1CCC1 453328125 WNYBDHUPHFEUGG-HNNXBMFYSA-N 233.355 3.985 30 20 BHED CC#CCCN1[C@@H](C)c2ccc(F)cc2C[C@H]1C 462337863 QZJJSJIKSMFOJT-OLZOCXBDSA-N 245.341 3.547 30 20 BHED C=CCC[C@H](C)N[C@H]1CCCO[C@H]1CC(C)C 480748803 IUKYSXONYHJXDO-KKUMJFAQSA-N 239.403 3.524 30 20 BHED C=CCCC[C@H](C)NC(=O)c1ccc(C)c(C)c1 537227296 ZTPJZYXSFXSSBR-AWEZNQCLSA-N 245.366 3.778 30 20 BHED C[C@H]1CC[C@@H](Sc2ccc(C#N)cc2F)C1 549374073 HNVLWSMABATSTH-GXSJLCMTSA-N 235.327 3.978 30 20 BHED C=CCCCCN1CCC[C@@]2(CCSC2)C1 562548733 AYDCZLFHYUGDOX-CQSZACIVSA-N 239.428 3.562 30 20 BHED C=CCC(C)(C)C(=O)N[C@H]1CCC[C@H](CC)C1 563725422 VFPFNCLDZBBJTH-STQMWFEESA-N 237.387 3.674 30 20 BHED Cc1oncc1-c1ccc(C2(C#N)CCC2)s1 592576995 KOXQNJCYFLAOCB-UHFFFAOYSA-N 244.319 3.657 30 20 BHED N#Cc1ccc(S[C@H]2CCCCCC2=O)cc1 592992404 UIJLKZAFGGAETL-AWEZNQCLSA-N 245.347 3.552 30 20 BHED C[C@]1(c2ccccc2)C[C@@H]1Nc1ccc(C#N)cc1 610280487 SPPISCHOVKYVRI-DLBZAZTESA-N 248.329 3.700 30 20 BHED C=CCC[C@@H](C)N[C@@H]1CC[C@@H]1c1ccccc1 658264297 PXMHJPHGYPUDMO-FVQBIDKESA-N 229.367 3.877 30 20 BHED C=CC[C@H](C)N[C@H]1c2ccccc2CC[C@@H]1C 678773622 PYEDOZOOTDNBON-HEHGZKQESA-N 229.367 3.864 30 20 BHED CC(CCC1CCCCC1)=NNCC(F)F 740616974 PGHSFRCCKKMXER-UHFFFAOYSA-N 232.318 3.578 30 20 BHED CCCCCCCCCN(C)Cc1ccon1 740875248 OAFTYRIIVOXQMH-UHFFFAOYSA-N 238.375 3.857 30 20 BHED C#C[C@H](CC)NC(=O)[C@@H](CC)CC1CCCCC1 754389095 UPPMRKTVVYTZQY-LSDHHAIUSA-N 249.398 3.511 30 20 BHED CCC(=NOCC(F)F)c1ccc(Cl)cc1 758899672 LBAFQTJKJRZBLN-UHFFFAOYSA-N 247.672 3.736 30 20 BHED CC1=CCC[C@H](C)[C@@H]1C=NOCC(F)(F)F 773207809 LZBITHUYFDWOID-VHSXEESVSA-N 235.249 3.544 30 20 BHED O=C(/C=C/c1cccs1)c1ccnc(Cl)c1 779462487 NFWGHQOEDSASDT-ONEGZZNKSA-N 249.722 3.693 30 20 BHED C[C@@H]1C[C@H]1c1ccc(C=NNCCC(C)(C)C)o1 782906878 FXIUMWWSBCWOGU-DGCLKSJQSA-N 248.370 3.763 30 20 BHED C=CCOc1ccc(OC(=O)C[C@@H](C)CC)cc1 790683909 UWSUEKYLKYCBDE-LBPRGKRZSA-N 248.322 3.593 30 20 BHED CC(C)[C@@H]1CCCC1=NN[C@@H](C)C(C)(C)C 793112551 UKJVGKWFCLCZFT-RYUDHWBXSA-N 224.392 3.823 30 20 BHED Cc1ccc(C)c(C=NN[C@@H](C)C(C)(C)C)c1 793115466 MVUCOSBAPHGPKC-ZDUSSCGKSA-N 232.371 3.662 30 20 BHED C#CCCCN[C@@H](CCC(C)C)c1ccoc1 796778623 YUTKNUDRTVKCHY-HNNXBMFYSA-N 233.355 3.760 30 20 BHED C#C[C@H](C)N[C@H]1CCC[C@H]1c1ccccc1Cl 809682781 BUQVHWFAWKYGFQ-WHOFXGATSA-N 247.769 3.587 30 20 BHED Cc1cccc(C(C)C)c1NN=C1CCO[C@H]1C 812232679 JZHUSTKWARLROH-LBPRGKRZSA-N 246.354 3.695 30 20 BHED CCCC(=NNc1ccccn1)C1CCCC1 834925458 OKIVOXNRIRWLSB-UHFFFAOYSA-N 231.343 3.840 30 20 BHED C[C@H]1CC=C(C(=O)OCCCC(C)(C)C#N)CC1 838349315 OHXNRSACBUDPRW-LBPRGKRZSA-N 249.354 3.606 30 20 BHED CC(C)=CCC[C@@H](C)CC(=O)O[C@H](C)CC#N 842717647 ZAMQVTIOYZIYIT-CHWSQXEVSA-N 237.343 3.604 30 20 BHED C=C[C@H](C)ON=C1CC(c2ccc(C)cc2)C1 844623547 HVRKHORRIWRMLY-NBFOIZRFSA-N 229.323 3.820 30 20 BHED CCC(=NNc1cccc(C(=O)O)c1C)C(C)C 844628038 WOVYWIQWMKVTPD-UHFFFAOYSA-N 248.326 3.527 30 20 BHED Cc1ccc(F)cc1NN=C1CC(C(F)F)C1 853394103 XWBOESSKAMQWNE-UHFFFAOYSA-N 242.244 3.577 30 20 BHED C[C@@H]1CCCCC1=NNc1cccc([N+](=O)[O-])c1 916268864 BJCKOJSCEJSEAN-SNVBAGLBSA-N 247.298 3.573 30 20 BHED CC(C)c1ccc2c(c1)CCCN2CCCC#N 917103421 MTHIROVESVOMLB-UHFFFAOYSA-N 242.366 3.866 30 20 BHED C=C[C@H](C)ON=C(C)Cc1ccc(C)cc1 1327220171 DDFITAJXUBWFKF-ZDUSSCGKSA-N 217.312 3.505 30 20 BHED C=CC[C@H](SC1CCC(C)(C)CC1)C(=O)O 1588758990 NCAUXFNXJOJROZ-NSHDSACASA-N 242.384 3.718 30 20 BHED C[C@@H]1CCC[C@@H](CSc2cc(C#N)ccn2)C1 1613475261 LJEHCWHTKLTFQU-DGCLKSJQSA-N 246.379 3.872 30 20 BHED CCC(CC)CN(CC)c1cc(C)c(C#N)cn1 1651675381 BHLPBEKXDJZYNM-UHFFFAOYSA-N 245.370 3.524 30 20 BHED C[C@H]1CCCC[C@H]1Nc1cccc(C#N)c1 19921976 FXIQAKOLYHLZRY-SMDDNHRTSA-N 214.312 3.549 30 20 BHED N#Cc1c(F)cccc1NC1CCCCCC1 35134942 JONXNNIYANLAET-UHFFFAOYSA-N 232.302 3.832 30 20 BHED CCCCC[C@H](C)Nc1cccc(OCC#N)c1 37069414 RXEZLCNPFPRCOP-ZDUSSCGKSA-N 246.354 3.970 30 20 BHED CC1(C)CCCN(c2ccc(C#N)c(Cl)c2)C1 70260813 UMARAJZXINGXLT-UHFFFAOYSA-N 248.757 3.838 30 20 BHED N#Cc1cccc(N[C@H]2CCC[C@@H](C3CC3)C2)c1 81623963 NKRPCDPTYQSGDZ-ZBFHGGJFSA-N 240.350 3.939 30 20 BHED CC(C)(C#N)CCCNc1cc(F)cc(F)c1 87597183 GAKXMJBHTGEOCQ-UHFFFAOYSA-N 238.281 3.707 30 20 BHED C=CCCC(=O)N1CCC[C@H]1CC1CCCCC1 102343583 DYBASKJMAGHJIB-HNNXBMFYSA-N 249.398 3.914 30 20 BHED C[C@@H](NCC1(C)CCCC1)c1cccc(C#N)c1 108941306 HEVRSRKNBRXFIU-CYBMUJFWSA-N 242.366 3.789 30 20 BHED Cc1ccsc1CNc1ccc(C#N)cc1F 112011865 XMSGMZHREGBEJW-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C=CC[C@@H](C)NC(=O)C[C@H](CC)CCCC 117261904 VFMVZJZZSFVCSA-CHWSQXEVSA-N 225.376 3.674 30 20 BHED C=C(C)CN(CC)C(=O)c1ccc(CCC)cc1 126684328 JRUDFWPIBIQOMG-UHFFFAOYSA-N 245.366 3.677 30 20 BHED C#CCCCCN[C@H]1CCC(C)(C)C[C@H]1C 130733805 WWPDBLLRLZMKOQ-KGLIPLIRSA-N 221.388 3.594 30 20 BHED C#CCCCNc1cccc2ccccc12 160985528 WKJYVNQHVWHBAE-UHFFFAOYSA-N 209.292 3.665 30 20 BHED Cc1cccc(NCc2ccc(C#N)s2)c1F 181133090 JZZDKGFAIKPPME-UHFFFAOYSA-N 246.310 3.679 30 20 BHED CCCCCCCC(=O)N1CCCC2(CC2)C1 184112341 CSJIVYVWBMMQDZ-UHFFFAOYSA-N 237.387 3.750 30 20 BHED C[C@H](SCc1ccon1)c1cccc(C#N)c1 190802541 BMZQTXGNEWGGME-JTQLQIEISA-N 244.319 3.541 30 20 BHED C[C@H]1C[C@H](C)CC[C@@H]1Nc1cccc(C#N)c1 221643428 WFZVBEHHVPCSAG-XUJVJEKNSA-N 228.339 3.795 30 20 BHED C[C@H](c1ccccc1)N1CCC(CCC#N)CC1 259703382 LJFZDMCHTYYBRY-CQSZACIVSA-N 242.366 3.763 30 20 BHED CC1=CC[C@H](N[C@@H](C)c2ccc(C#N)cc2)CC1 284197472 RYLLAJRXNVHFBN-BBRMVZONSA-N 240.350 3.708 30 20 BHED CCN(CCC#N)[C@H](C)c1ccc(Cl)cc1 299393660 KFWVNEKMPKCEOS-LLVKDONJSA-N 236.746 3.637 30 20 BHED CC(C)C[C@@H](C)CNc1cccc(C#N)c1 300826039 BOAILVCDUKAHFC-GFCCVEGCSA-N 216.328 3.652 30 20 BHED C=C(C)CCN[C@H](c1ccccc1)C(C)C 309310233 BTFCQBJDNPCCTO-HNNXBMFYSA-N 217.356 3.940 30 20 BHED CC[C@H](Nc1ccc(OCC#N)cc1)C1CCC1 322591462 WNXKMBKZRNNTFY-HNNXBMFYSA-N 244.338 3.580 30 20 BHED CCC1(C(O)=Nc2ccnnc2C)CCCCC1 329594893 IABHXIWAUQIMTP-UHFFFAOYSA-N 247.342 3.734 30 20 BHED C=CCCSCc1cccc(C#N)c1F 339090628 HTPMGNDDSWGEEH-UHFFFAOYSA-N 221.300 3.507 30 20 BHED Cc1cc(/C=C\c2ccncc2C#N)ccc1F 349109332 MZVVIPPVWIBNRM-RQOWECAXSA-N 238.265 3.571 30 20 BHED C=C(C)CN(CC)c1nccc2ccc(F)cc12 354560339 LZTDWSBOSDQWGA-UHFFFAOYSA-N 244.313 3.776 30 20 BHED C=CCC1(C(=O)Nc2cc(C)cc(F)c2)CCC1 357744083 JZKJRSXLSUPPNJ-UHFFFAOYSA-N 247.313 3.819 30 20 BHED CCCCCCCC(=O)N1[C@H]2CCC[C@H]1CC2 366646901 WWMJZKCMKGKEHS-KBPBESRZSA-N 237.387 3.890 30 20 BHED N#Cc1c(Cl)cccc1N1[C@H]2CCC[C@H]1CC2 380826306 ZYHQGYDKYPEJGN-QWRGUYRKSA-N 246.741 3.733 30 20 BHED C=CCC[C@@H](NCCSC(C)(C)C)C1CC1 381363992 DRKHNDMQJFARGH-CYBMUJFWSA-N 241.444 3.853 30 20 BHED Cc1ccc(N[C@H]2CC[C@H](C#N)C2)c(Cl)c1 381556801 PIYXYPHTMDBURQ-QWRGUYRKSA-N 234.730 3.753 30 20 BHED CC[C@H](NCC(C)(C)CC#N)c1cccc(C)c1 414164158 JRXBZLHUTCHCSF-HNNXBMFYSA-N 244.382 3.976 30 20 BHED C=CCCCC[C@H](C)NCC(C)(C)C[C@@H](C)O 449161351 OPXGOTVCICBGHL-UONOGXRCSA-N 241.419 3.508 30 20 BHED C=CCCCC[C@H](C)NCc1cnc(C)cc1C 449733119 GJTCSTOXASTWGB-AWEZNQCLSA-N 246.398 3.923 30 20 BHED C=CCC[C@H](NCCC1CC(F)(F)C1)C1CC1 453434025 STRGRVLMXRSUCE-ZDUSSCGKSA-N 243.341 3.756 30 20 BHED CC#CCCN1CCC[C@H](c2ccccc2)CC1 462328313 SRCQXDWDSNGJGE-KRWDZBQOSA-N 241.378 3.670 30 20 BHED C=CCCCC(=O)N[C@@H]1CCCCC12CCCC2 462981299 NYWFSGASAZRNIW-CQSZACIVSA-N 249.398 3.962 30 20 BHED Cc1ccc(-c2ccc(C)c(N[C@@H](C)C#N)c2)o1 479825791 BKIVSCPPJXFOBZ-NSHDSACASA-N 240.306 3.887 30 20 BHED C=CC[C@H](C)[C@H](C)NC1(Cc2ccccc2)CC1 480671183 RCZCTYADUITBQY-GJZGRUSLSA-N 243.394 3.952 30 20 BHED C=C(C)CCN1CCc2ccc(Cl)cc2C1 509008862 SAZNCSPDKRJYCZ-UHFFFAOYSA-N 235.758 3.664 30 20 BHED C=CCN1CCC[C@@](C)(c2ccccc2)CC1 510077709 FMEHWNQFAOSIMC-MRXNPFEDSA-N 229.367 3.616 30 20 BHED Cc1ccc(OCC2(CC#N)CC2)cc1Cl 596300817 ZLPOKYVBFQPNQT-UHFFFAOYSA-N 235.714 3.721 30 20 BHED C[C@@H](CS[C@@H](C#N)C1CC1)c1ccccc1 601081245 MVLBGYXGJGNWLV-FZMZJTMJSA-N 231.364 3.825 30 20 BHED C[C@@H](CCC#N)CN1CCC[C@@H]1C1CCCC1 602448630 JVGRDXZYFDZFTH-DZGCQCFKSA-N 234.387 3.581 30 20 BHED C[C@@H](CCC#N)CNc1cccc2ncccc12 602588739 NMDWSXKYHVASIP-LBPRGKRZSA-N 239.322 3.587 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@@H](C)CCCC)C1 617778523 ILSQLLYZAJXMOP-UONOGXRCSA-N 237.387 3.627 30 20 BHED C=CCC1(C(=O)N2CCC3(CC2)CC3)CCCC1 648924138 ZLGKGGHKEKFYLD-UHFFFAOYSA-N 247.382 3.526 30 20 BHED C=CC[C@H](C(=O)N[C@@H](C)CCC)c1ccccc1 681641331 FATVIAAPLVVRLK-ZFWWWQNUSA-N 245.366 3.651 30 20 BHED CCc1ccc(C=NN[C@@H](C)c2ccccc2)o1 760254091 RNXVUWQKMILLAI-LBPRGKRZSA-N 242.322 3.527 30 20 BHED CCCCCCCC(=O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 761566749 ZSIPQTDPTCKOGB-JURCDPSOSA-N 249.398 3.508 30 20 BHED C#CC[C@H](N[C@H]1CCC[C@@H](C)C1)c1ccccc1 773117827 XNHCBJWMSUFUCL-PVAVHDDUSA-N 241.378 3.919 30 20 BHED C1CCC(ON=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)C1 774597195 PGRHOQQKSOBLIV-ZRJCITRHSA-N 233.355 3.758 30 20 BHED C=CCCCCCOC(=O)[C@@H]1CC=CCC1 782222331 WKDHZZRGEUBBFV-CYBMUJFWSA-N 222.328 3.632 30 20 BHED O=C(/C=C\c1ccsc1Cl)c1ccncc1 790211620 OLGCEHIVKYAAOD-UPHRSURJSA-N 249.722 3.693 30 20 BHED C=CCC1(C(=O)OC2CCCCC2)CCC1 791765294 LEEYVALFJGLJHZ-UHFFFAOYSA-N 222.328 3.609 30 20 BHED C=CCCCCCCNC(=O)C(C)(C)CC 805218369 YGXXIXBOYYPAEF-UHFFFAOYSA-N 225.376 3.675 30 20 BHED CC(C)CCC=NNc1nccnc1C1CCC1 814931707 BGAISSSOIVZLGJ-UHFFFAOYSA-N 246.358 3.578 30 20 BHED Fc1ccc(C=NOCc2ccccc2)c(F)c1 839418166 HBBFMIMOJBIJDD-UHFFFAOYSA-N 247.244 3.516 30 20 BHED C=C(CC)C(=O)N(C)[C@@H](c1ccccc1)C(C)C 1123658852 XPQKONITIRMOFR-OAHLLOKOSA-N 245.366 3.808 30 20 BHED C#CCCCCN[C@H](C)Cc1ccccc1Cl 1170261253 OXSVKEPZBUTEBF-CYBMUJFWSA-N 249.785 3.664 30 20 BHED CCN(CCCC1CCCCC1)[C@@H](C)C#N 1307957738 JQEOBPVSINMVQQ-ZDUSSCGKSA-N 222.376 3.581 30 20 BHED C=C(C)CCC(=O)Nc1cccc(F)c1Cl 1349686314 BODWHPWRUJFCMY-UHFFFAOYSA-N 241.693 3.774 30 20 BHED CC1(C)CCC[C@H](CNc2cccc(C#N)n2)C1 1559212962 AHOCXBPUKFMUKH-LBPRGKRZSA-N 243.354 3.582 30 20 BHED C[C@H](Nc1ccc(F)cc1)c1ccc(C#N)cc1 19942103 YXVFGKFEGHPMKP-NSHDSACASA-N 240.281 3.870 30 20 BHED C[C@H]1CCCC[C@@H]1Nc1cccc(F)c1C#N 35134945 MPHIRAQMKXEVFB-GWCFXTLKSA-N 232.302 3.688 30 20 BHED C=C(Cl)CNc1ccccc1Cl 37488403 AUQCCKPFAIYATM-UHFFFAOYSA-N 202.084 3.504 30 20 BHED C=C(C)CN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 48043258 KXZJKFBUIYZOQX-SWLSCSKDSA-N 245.366 3.944 30 20 BHED Cc1ccc(NCc2cc(C#N)cs2)c(C)c1 93684825 ZAYYTRHFTOYING-UHFFFAOYSA-N 242.347 3.849 30 20 BHED CCCCCCCCC(=O)N(C)CC1CC1 120669546 IFYIPTKGPNELFO-UHFFFAOYSA-N 225.376 3.605 30 20 BHED C=CCC[C@@H](C)NCc1ccc(CC)s1 134912809 UUSQVYQCCSMMBR-LLVKDONJSA-N 223.385 3.755 30 20 BHED C=C(Cl)CNCc1ccc(CC(C)C)cc1 167730753 DQYIOJZHJDKDKV-UHFFFAOYSA-N 237.774 3.727 30 20 BHED N#Cc1ccccc1SCc1ccc(F)cc1 173716740 XTRIJZUKXDBZHX-UHFFFAOYSA-N 243.306 3.990 30 20 BHED C=CCC(CC=C)C(=O)Nc1ccc(C)cc1 176882060 LQAVDXJIDOXJDG-UHFFFAOYSA-N 229.323 3.702 30 20 BHED C=CCCCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 177489050 ALBMELRJJOZUMT-KBPBESRZSA-N 235.371 3.524 30 20 BHED C=CCC[C@H](NCC(F)F)c1ccccc1 180046185 NQPOYSZKOVVMCT-LBPRGKRZSA-N 225.282 3.549 30 20 BHED CCCCCNc1ccccc1O[C@@H](C)C#N 182579433 CWPHYCURYFLDMU-LBPRGKRZSA-N 232.327 3.580 30 20 BHED CCCCCCC[C@H](C)NC1(CO)CCCC1 236642001 KUNVFYLVAHDLNZ-AWEZNQCLSA-N 241.419 3.630 30 20 BHED CCN(C[C@H](C)C#N)[C@H]1CCCc2ccccc21 245766048 JKBUTPQLGNNSGS-CJNGLKHVSA-N 242.366 3.546 30 20 BHED Cc1cccc(CS[C@@H]2CC[C@H](C#N)C2)c1 295235899 UFJXFNUSGODXCK-GXTWGEPZSA-N 231.364 3.921 30 20 BHED N#CCCCCN1CCC[C@H]1c1ccsc1 299523984 LYNVCEABMXAVLR-ZDUSSCGKSA-N 234.368 3.579 30 20 BHED C=C(CC)CN[C@@H](C)c1ccc(C)c(C)c1 309820972 WINDROFOIKAFAB-AWEZNQCLSA-N 217.356 3.920 30 20 BHED C=CC[C@@H](CC)NC[C@@H](C)c1ccccc1 381311405 LPQGGNNOWWUOEZ-UKRRQHHQSA-N 217.356 3.734 30 20 BHED CC[C@@H](C)CN(CC)Cc1ccc(CC#N)cc1 399092085 WXSVQZNBRIDFFU-CQSZACIVSA-N 244.382 3.621 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@H](C)CCC(C)(C)C 410128219 QWAZNQRYUSONHX-CHWSQXEVSA-N 239.403 3.920 30 20 BHED CCN(CCCC(C)(C)C#N)Cc1occc1C 412026286 LDAJMVIGYNEKJT-UHFFFAOYSA-N 248.370 3.740 30 20 BHED C=CC(C)(C)CNC[C@@H]1C[C@H]1c1ccccc1 418080268 ZOBNXWBTLQVHHW-GJZGRUSLSA-N 229.367 3.592 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 424698081 UHCVXARKVQHYMY-BFHYXJOUSA-N 249.398 3.674 30 20 BHED C=CCC1(C(=O)N(CCC)CCC)CCCC1 449045324 GBGDKYOAZNUZOK-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C=CCC1(C(=O)NCC(C)(C)CC)CCCC1 451183436 ZBEIBHZPQBRQSZ-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CC(C)(C)CNC(=O)Nc1ccc(C)c(C)c1 454132452 FXODBHRTDBAVNY-UHFFFAOYSA-N 246.354 3.637 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H](CCC)C1CCC1 458320693 DOJBAVZZKSTFTO-HNNXBMFYSA-N 249.398 3.840 30 20 BHED C=C[C@H](C)NC(=O)[C@@H](c1ccccc1)[C@H](C)CC 465152325 SQIBOYHBYCBIBJ-VNHYZAJKSA-N 245.366 3.507 30 20 BHED N#CC1(CSCCCc2cccc(F)c2)CC1 486100631 GPSQWLKFFCWONE-UHFFFAOYSA-N 249.354 3.795 30 20 BHED C=C(C)CCc1noc(C2(CC)CCCC2)n1 508685452 GNAVZZOTRHBRJB-UHFFFAOYSA-N 234.343 3.800 30 20 BHED C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](C)CCC 537263192 FFIXNKPVCYBVQD-OLZOCXBDSA-N 240.391 3.561 30 20 BHED C=C(C)CCc1noc([C@@H]2CC3CCC2CC3)n1 551439442 KQFURZLBLNXNPM-WXRRBKDZSA-N 246.354 3.872 30 20 BHED C=CCC[C@H](CC)N[C@@H]1c2ccccc2O[C@H]1C 574960821 CINBLANHGBVOPU-XEZPLFJOSA-N 245.366 3.843 30 20 BHED C[C@@H](CCC#N)CNc1cccc(C(F)F)c1 602492844 YTUHKCWQUQVMOW-JTQLQIEISA-N 238.281 3.976 30 20 BHED N#Cc1cccc(N[C@H]2CCC23CCCC3)c1 694467665 CFFLLUKOGRYVPH-AWEZNQCLSA-N 226.323 3.693 30 20 BHED CCCCCCCN[C@H]1CCO[C@@H](C(C)C)C1 703742920 CXHCQDRIRGHFIS-LSDHHAIUSA-N 241.419 3.750 30 20 BHED CCC(C=NNCCCc1ccccc1)CC 729146139 NBDBFMQJCPYSFU-UHFFFAOYSA-N 232.371 3.631 30 20 BHED CC(C)CON=C(Cc1ccccc1)C1CC1 749631024 GLPLBXYZFWYAPC-UHFFFAOYSA-N 231.339 3.668 30 20 BHED CCCCC[C@@H](C(=O)OCCCC#N)C(C)C 756670868 OYSNAAXOXPSFLH-CYBMUJFWSA-N 239.359 3.686 30 20 BHED C#CCCCN1CCCCC[C@@H]1c1ccc(C)o1 766904156 XNBFRLZXHPTKJN-OAHLLOKOSA-N 245.366 3.919 30 20 BHED C=C(Cl)CN(CCC)CCc1cccs1 766930740 DQMYZHXPVFZXKN-UHFFFAOYSA-N 243.803 3.755 30 20 BHED CCC(CC)NN=C1CC[C@H](C)[C@@H](C)C1 767378069 DUIWJPXHUWUVPV-QWRGUYRKSA-N 210.365 3.577 30 20 BHED C#CCCCN[C@@H]1C[C@H](C(C)C)c2ccccc21 774211642 VDDNFOKSLRIARW-IAGOWNOFSA-N 241.378 3.874 30 20 BHED CC(C)(C)CCNN=Cc1ccsc1Cl 790174604 UMHYGHVWSMDISX-UHFFFAOYSA-N 244.791 3.761 30 20 BHED C[C@@H](NN=C1CCC12CCC2)c1ccccc1 799877346 WRJFZFSIQFHFKV-GFCCVEGCSA-N 228.339 3.657 30 20 BHED C=CCCCCOC(=O)/C=C\c1cccs1 811013041 HVVGAVCWGRCSKB-HJWRWDBZSA-N 236.336 3.661 30 20 BHED CC(CCc1ccc(F)cc1)=NOC1CCC1 812238050 KUTXLIGJCICLDG-UHFFFAOYSA-N 235.302 3.703 30 20 BHED CC(C)(C)[C@@H]1CC(=NOCCC2CC2)CS1 814941103 BSQBCQIBCQMKBA-LBPRGKRZSA-N 241.400 3.711 30 20 BHED C=C[C@H](C)ON=C1CC[C@H](c2ccccc2)C1 844621100 UKBPVXVOGMTFII-JSGCOSHPSA-N 229.323 3.901 30 20 BHED CCCON=C[C@H](C)c1ccc(C)cc1 863122921 AGJDTNXSUCGCCA-LBPRGKRZSA-N 205.301 3.511 30 20 BHED CCCCCCCCC(=O)N1CCC(F)CC1 881607262 GNVQRJFKULOESO-UHFFFAOYSA-N 243.366 3.698 30 20 BHED CC(=NNc1cccc(C)c1)c1ccc(C#N)cc1 916255797 AARKTAPUHWBQQE-UHFFFAOYSA-N 249.317 3.703 30 20 BHED Fc1c(Cl)cccc1NN=Cc1ccccc1 921137536 BHPFHWGGXKYKJU-UHFFFAOYSA-N 248.688 3.925 30 20 BHED C=C[C@@H](CC)CC(=O)N(C)Cc1cccc(C)c1 929945775 ULULJTOUVWKVOD-AWEZNQCLSA-N 245.366 3.556 30 20 BHED C=C(C)CCC(=O)Nc1ccc(C(F)F)cc1 1337443825 WXTZBWAIQKFCIV-UHFFFAOYSA-N 239.265 3.919 30 20 BHED CCC1(CNC[C@H](C)CCC#N)CCCCC1 1560731621 OXZACSFWCPIBPC-CQSZACIVSA-N 236.403 3.876 30 20 BHED Cc1cccc(Sc2cc(C)c(C#N)cn2)c1 1639359420 VGVQVOLTOTYEOI-UHFFFAOYSA-N 240.331 3.721 30 20 BHED Cc1ccc(NCc2ccc(C#N)cc2)cc1F 19955986 IQCHUXCDUUHEHA-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CCC1CCC(NCc2ccc(C#N)cc2)CC1 37505890 HUDFWBLUYVXXHJ-UHFFFAOYSA-N 242.366 3.617 30 20 BHED C=C(C)CN(CC)Cc1csc(C(C)C)n1 51559847 VXRCGZDDIBRKIT-UHFFFAOYSA-N 238.400 3.665 30 20 BHED CCCCCc1nc2ccccc2n1CCC#N 60473990 RGEKQPZFTOSEPQ-UHFFFAOYSA-N 241.338 3.683 30 20 BHED Cc1cc([C@@H](C)NCCCC(C)(C)C#N)c(C)o1 87597918 IMQZDICPBNFUAE-GFCCVEGCSA-N 248.370 3.877 30 20 BHED C=CCC[C@@H](C)NCc1ccccc1Cl 96034249 YAOKHWZRKNOTIP-LLVKDONJSA-N 223.747 3.784 30 20 BHED C=CCN(Cc1cccs1)Cc1occc1C 119940187 XPLJCXQEGLBPQY-UHFFFAOYSA-N 247.363 3.838 30 20 BHED C[C@H](NCCC(C)(C)C#N)C1CCCCCC1 150185408 BACIQZDAZSFUAB-ZDUSSCGKSA-N 236.403 3.875 30 20 BHED C[C@@H](CCC#N)N[C@H](C)c1ccc(Cl)cc1 276327366 QESCGKDWGKCFIH-WDEREUQCSA-N 236.746 3.683 30 20 BHED Cc1ccccc1[C@H](CC(C)C)NCCC#N 299044582 RYFBNRXVHSYNSH-HNNXBMFYSA-N 230.355 3.586 30 20 BHED C=C(C)CCNc1ccc(SC)cc1OC 309864996 ODUNJVRGFHZLCT-UHFFFAOYSA-N 237.368 3.795 30 20 BHED N#Cc1ccccc1CNc1ccc2ccoc2c1 345162316 GVXHSZOBEDKVAS-UHFFFAOYSA-N 248.285 3.917 30 20 BHED Cc1cccc(/C=C\c2ccncc2C#N)c1C 349116294 ZFDYSCTUFMFNIZ-SREVYHEPSA-N 234.302 3.741 30 20 BHED Cl/C=C\CON=Cc1cc(Cl)cs1 379370392 GEIUVQVYQZRCNG-QEXYBXAASA-N 236.123 3.505 30 20 BHED CCCCCCCN[C@@]1(CCC)CCOC1 379428767 DBMKIASWNHRUSM-AWEZNQCLSA-N 227.392 3.506 30 20 BHED C=CCC[C@@H](C)N[C@@H](CC(F)(F)F)C(C)C 381451883 GZBPXPHFKPICCW-MNOVXSKESA-N 237.309 3.908 30 20 BHED C=CCC[C@H](C)NC[C@@H]1CCCC(F)(F)C1 381470266 OEUKXKDCRDLEFL-NWDGAFQWSA-N 231.330 3.756 30 20 BHED C[C@@H](CC(C)(C)C)NCc1ccc(C#N)s1 384503327 DEHIJGQVCWCNRQ-JTQLQIEISA-N 236.384 3.534 30 20 BHED C#CCCCN[C@@H](CCC)C1CCCCC1 390629803 KVYZUQYGTMXWIX-HNNXBMFYSA-N 221.388 3.738 30 20 BHED C=C(C)CNc1ccccc1NC(C)(C)C 393809270 RLCWSYVKYKCVRE-UHFFFAOYSA-N 218.344 3.885 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C 410478171 YJLULPUGLFWMLS-FRRDWIJNSA-N 237.387 3.530 30 20 BHED N#C[C@@H]1CC[C@H](NC2CCC3(CCCC3)CC2)C1 424207280 XVCRARANZIMRJO-HIFRSBDPSA-N 246.398 3.771 30 20 BHED C=CCCC(=O)NC[C@@H](CCC)CCCC 440813550 MYQZBWDBJLLTIB-ZDUSSCGKSA-N 225.376 3.675 30 20 BHED C=C(C)CCN[C@@H]1CCc2c(F)ccc(F)c21 453323718 SJABHQCFMQUZQE-CYBMUJFWSA-N 237.293 3.508 30 20 BHED C=C(C)CCN[C@H]1CCCOc2cc(F)ccc21 453325224 UJIFKFJGIYJFAL-AWEZNQCLSA-N 249.329 3.595 30 20 BHED C=CCOCCCSc1cc(C)ccc1C 475943554 AZTBJBUBXPDVOG-UHFFFAOYSA-N 236.380 3.988 30 20 BHED N#Cc1c(Cl)nc2cccc(F)c2c1Cl 521399208 RAZMMEMYERFCTB-UHFFFAOYSA-N 241.052 3.552 30 20 BHED CC#CCN(CC)Cc1ccc2ccccc2c1 525119413 DCRAEBXWBOGICF-UHFFFAOYSA-N 237.346 3.685 30 20 BHED C=CCCSc1ccc(C#N)cc1Cl 533635406 CPWRNEFSJVYRSG-UHFFFAOYSA-N 223.728 3.880 30 20 BHED CC(C)(C)CCCSc1cc(C#N)ccn1 540813075 UYLLOCPRDUYLQC-UHFFFAOYSA-N 234.368 3.872 30 20 BHED C=CCCCc1nc([C@@H]2CCC[C@H](C)C2)no1 545641348 XDURTDRUUSDLBG-NWDGAFQWSA-N 234.343 3.872 30 20 BHED CC(C)(C)CCN[C@@H]1CCc2ccc(C#N)cc21 554989212 YKUBAOKTZBVFAL-OAHLLOKOSA-N 242.366 3.571 30 20 BHED C=CCCC(=O)Nc1ccc(/C=C/C)cc1 561648264 SNZKNBHXHONPKR-GQCTYLIASA-N 215.296 3.624 30 20 BHED CN(CCCC1CCC1)Cc1ccc(C#N)cc1 595288237 LXORDLMFGWLSDS-UHFFFAOYSA-N 242.366 3.570 30 20 BHED N#Cc1cc(Cl)ccc1S[C@H](C#N)C1CC1 601913882 SIYWJCSMQXYWOL-GFCCVEGCSA-N 248.738 3.606 30 20 BHED CC[C@H](C)[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618801360 AKPIUBVYGHKXJF-MQIPJXDCSA-N 242.366 3.570 30 20 BHED CC[C@H](C)CCNc1nc(Cl)c(C#N)s1 696142907 JDJHOLPFMZIIAJ-ZETCQYMHSA-N 243.763 3.516 30 20 BHED C=CCN(C(=O)C1CCCCCCC1)C(C)C 741532957 KMKVMFNUHZVYJX-UHFFFAOYSA-N 237.387 3.770 30 20 BHED C=C(Cl)CN1CC=C(c2cccc(C)c2)CC1 771463469 KVJOPTKNDUUVMI-UHFFFAOYSA-N 247.769 3.837 30 20 BHED CC1(C)CCCC[C@H]1NN=Cc1ccsc1 773125475 PAQAFMFBHGASJT-GFCCVEGCSA-N 236.384 3.640 30 20 BHED O=C(/C=C\c1ccsc1Cl)c1cccnc1 790210435 DTLSAOAXFXDYIZ-ARJAWSKDSA-N 249.722 3.693 30 20 BHED C#CCCCCN[C@H](C)CCCCC=C 823990324 LLOVOESSUDXEPG-CQSZACIVSA-N 207.361 3.514 30 20 BHED CC/C(C)=C(\C)C(=O)Nc1cc(C)cc(C#N)c1 837141575 JXFOBNJTJHQDTQ-VAWYXSNFSA-N 242.322 3.552 30 20 BHED CCCON=Cc1ccc(C(F)(F)F)s1 842555490 XDPFSQGVTMCVIG-UHFFFAOYSA-N 237.246 3.527 30 20 BHED C=C[C@H](C)ON=C[C@@]1(C)C[C@@H]1c1ccccc1 844619820 DGWRZWZRKFLJIK-NWANDNLSSA-N 229.323 3.757 30 20 BHED CC(C)c1csc(SCCCC#N)n1 845327447 JSIBNTOCHODBDM-UHFFFAOYSA-N 226.370 3.662 30 20 BHED C=C[C@@H](OC(=O)[C@H](C)C1CC1)c1ccccc1 851452664 VPTKWHNVGNIOJB-BXUZGUMPSA-N 230.307 3.503 30 20 BHED Cc1ccc(CON=Cc2cccs2)cc1 852096239 JGQICRDFJLPPMT-UHFFFAOYSA-N 231.320 3.607 30 20 BHED C#CCCCCCCNC[C@H]1CCC(F)(F)C1 877495013 RLKZANAEBLWSJM-ZDUSSCGKSA-N 243.341 3.595 30 20 BHED CCCCCCCC(=O)N1CCC[C@@H](CC)C1 915078587 NGTJJKGGTZJFML-CQSZACIVSA-N 239.403 3.996 30 20 BHED C=CCCC(=NNCc1ccc(F)cc1)C1CC1 1334867228 IOIRWMDJDZCYAK-UHFFFAOYSA-N 246.329 3.648 30 20 BHED C=C(Cl)CSc1nc(CC)cs1 1652988190 PZCSZVSGYHJFPD-UHFFFAOYSA-N 219.762 3.550 30 20 BHED C[C@@H](CN(C)[C@H](C)CCC#N)C1CCCCC1 1654474736 KIJIFJDOCLHNLC-UONOGXRCSA-N 236.403 3.827 30 20 BHED CC[C@@H]1CCCC[C@H]1N(C)C[C@H](C)CCC#N 1659135530 WJXAZTBXZDKOOA-RBSFLKMASA-N 236.403 3.827 30 20 BHED CC(C)Cc1nc(-c2cccc(C#N)c2)cs1 62938284 NRYOTYKAMSRTBW-UHFFFAOYSA-N 242.347 3.880 30 20 BHED Cc1ccc(C(=O)/C=C/c2cc(F)cc(F)c2)o1 120972707 BMPFJVIDGDTWOS-ONEGZZNKSA-N 248.228 3.762 30 20 BHED C[C@H](c1ccccc1)N(C)CCC(C)(C)C#N 157420495 RJVOOVWVAKWJSQ-CYBMUJFWSA-N 230.355 3.619 30 20 BHED CCN(CC1CCC1)[C@@H](C)c1ccc(C#N)cc1 173561984 NOZIXHCIXQYLHP-ZDUSSCGKSA-N 242.366 3.741 30 20 BHED C=CCCCC(=O)Oc1ccc(Cl)cc1 177484679 IXOSJYSNANTTNG-UHFFFAOYSA-N 224.687 3.602 30 20 BHED C=CCCCC(=O)N(C)c1cc(C)ccc1C 177584959 HUHKZQLUPCWKLY-UHFFFAOYSA-N 231.339 3.623 30 20 BHED CCCCCCNc1nc(Cl)c(C#N)s1 232947623 IEAHPLASNHUYNI-UHFFFAOYSA-N 243.763 3.660 30 20 BHED CCCCCCC[C@H](C)N[C@@H](C)[C@H]1CCOC1 252911672 IDKBFBYUXDCIFL-KKUMJFAQSA-N 241.419 3.750 30 20 BHED CCCCCCC[C@H](C)N[C@H]1CCO[C@H](C)C1 300417327 QPQWXVHMMBWGSZ-ZNMIVQPWSA-N 241.419 3.893 30 20 BHED C=CCCC[C@@H](C)Nc1ccc(C#N)cc1 302026464 QKBUOCBWYZLWDV-GFCCVEGCSA-N 214.312 3.715 30 20 BHED Cc1cc(COc2ccc(C#N)cc2F)cs1 310153315 GJYVCENXPRAWGM-UHFFFAOYSA-N 247.294 3.646 30 20 BHED C=CCOc1ccccc1CN[C@H](CC)C1CC1 323740524 QBJVVUUVUOVUAD-OAHLLOKOSA-N 245.366 3.530 30 20 BHED C=C1CCN([C@@H](C)c2ccccc2F)CC1 342016257 WRTZZQQLRYSNJA-LBPRGKRZSA-N 219.303 3.539 30 20 BHED N#CCCN1CCC[C@H]1CCC1CCCCC1 362953365 ACGTXIYXVVFAOW-HNNXBMFYSA-N 234.387 3.725 30 20 BHED N#Cc1ccc(Cl)cc1N[C@@H]1CCC[C@@H]1F 393948358 SIKIYHIMLJHLAR-WDEREUQCSA-N 238.693 3.514 30 20 BHED Cc1cccc(NCC#Cc2ccc(F)cc2)c1 433444493 UFVLCXGFKVGMKL-UHFFFAOYSA-N 239.293 3.598 30 20 BHED CC[C@H](F)CSCc1ccc(F)cc1C#N 442546507 SKXQYDVQSOHREI-NSHDSACASA-N 241.306 3.679 30 20 BHED CC[C@H](C)C[C@@H](C)NCc1ccc(C#N)c(C)c1 444001920 MALPRZBRSGKEJS-GXTWGEPZSA-N 244.382 3.781 30 20 BHED C[C@@H]1CC(C)(C)CC[C@@H]1N[C@@H]1CCC[C@H](C#N)C1 447585940 LBQGNEHTHOHGSG-BARDWOONSA-N 248.414 3.873 30 20 BHED CC#CCCN1CCC[C@H]1c1cccc(Cl)c1 462324437 CHFBAEDHPYIOJV-HNNXBMFYSA-N 247.769 3.890 30 20 BHED CC#CCCSc1ccc(C#N)cc1Cl 462393840 CXMGBBWDBWMXFF-UHFFFAOYSA-N 235.739 3.717 30 20 BHED C=CC1CCN([C@@H](C)c2ccccc2)CC1 522082293 NHBVNOWIOYWIAU-ZDUSSCGKSA-N 215.340 3.646 30 20 BHED C=CCCN1CC[C@H](Cc2ccccc2)[C@H]1C 530866274 IAJYVYLTMSHGDR-GDBMZVCRSA-N 229.367 3.516 30 20 BHED C=C(C)CN[C@@H](CC(C)C)c1ccccc1OC 537176525 LRSMLZXKYVZDJW-HNNXBMFYSA-N 247.382 3.948 30 20 BHED C=CCCN1CCC[C@H]1/C=C/c1ccccc1 541872771 IHFFODGUDLSPOI-PCUGXKRQSA-N 227.351 3.740 30 20 BHED Cc1ccc(C[C@@H](C#N)SC2CCC2)cc1 572522817 NFDSYHPCTAUXDP-AWEZNQCLSA-N 231.364 3.715 30 20 BHED C[C@@]1(C#N)CCCN([C@@H]2C=CCCCCC2)C1 590173233 SWFJEMFWRAVSRG-CABCVRRESA-N 232.371 3.501 30 20 BHED C=CCC(C)(C)c1noc(CCCCCC#N)n1 590283184 ZJVNUFURSDRNAK-UHFFFAOYSA-N 247.342 3.550 30 20 BHED CC1C[C@@H]2CC[C@H](C1)N2CCCC(C)(C)C#N 595858058 RJKFFMHTJHVVLX-AGUYFDCRSA-N 234.387 3.579 30 20 BHED C=CCCSc1ccc2c(c1)CCC2 606754357 GSIBYXFHMLMGPB-UHFFFAOYSA-N 204.338 3.844 30 20 BHED C[C@@H](C#N)CNC1CCC(C2CCCCC2)CC1 618606707 WHOBMBDBXVNOLY-JEYLPNPQSA-N 248.414 3.875 30 20 BHED C=C(C)c1ccc2c(c1)nc(C)n2C(C)C 649444428 UKOCWJXYKZBLAZ-UHFFFAOYSA-N 214.312 3.959 30 20 BHED CCc1ccc(C(C)=NNC2CCCC2)cc1 727652304 MZKYSJHOADPZCT-UHFFFAOYSA-N 230.355 3.505 30 20 BHED C=C(C)COC(=O)C1(Cc2ccccc2)CCC1 757883876 RUGSMGTVMJXRJD-UHFFFAOYSA-N 244.334 3.519 30 20 BHED Cc1ccc(C)c(C=NNc2cccc(C#N)c2)c1 767335897 IDYHBHVZRXMYDF-UHFFFAOYSA-N 249.317 3.621 30 20 BHED C#CCCCN1[C@@H](C)Cc2cc(F)ccc2[C@H]1C 769953516 KWDYYMOVHDGVJN-QWHCGFSZSA-N 245.341 3.547 30 20 BHED C#CCCCCCC(=O)Nc1ccc(C)cc1 779703495 IMOOPYWEIKAXDO-UHFFFAOYSA-N 229.323 3.517 30 20 BHED CC(C)(C)CCNN=C1CCCC1(C)C 782902523 CBWKOKAWDPERQH-UHFFFAOYSA-N 210.365 3.578 30 20 BHED C=CCCCCOC(=O)c1cccc(C(C)C)n1 811010661 DJDDIBLTRPCXHG-UHFFFAOYSA-N 247.338 3.718 30 20 BHED CC1(C)CC[C@H](OC(=O)C2(C#N)CCCCC2)C1 820300980 DQTOABOTECQBHR-LBPRGKRZSA-N 249.354 3.582 30 20 BHED CON=C1CC=C(c2ccc(Cl)cc2)CC1 834938331 HVGPYXGKCKFCTG-UHFFFAOYSA-N 235.714 3.910 30 20 BHED C[C@]1(C=NOCCC2CC2)C[C@@H]1c1ccccc1 841641326 UMFBELGOXWJUDM-HZPDHXFCSA-N 243.350 3.983 30 20 BHED C[C@@H]1CCCCN1N=C[C@H](C)C(C)(C)C 853382055 RMNPBPSDXZHUSL-NWDGAFQWSA-N 210.365 3.529 30 20 BHED C=CCCC(C)(C)NC(=O)/C(C)=C\C(C)(C)C 856374304 WGFGCBCPRWUPOB-QXMHVHEDSA-N 237.387 3.840 30 20 BHED CC1(C)CCCN(CCC2(C#N)CCCCC2)C1 1169301432 SYAHNBAXCSWPPS-UHFFFAOYSA-N 248.414 3.973 30 20 BHED CSc1ccc(C(C)=NOC(C)(C)C)cc1 1319802813 NEXFCMHRYWXDRA-UHFFFAOYSA-N 237.368 3.948 30 20 BHED C=CCC(C)(C)C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1324214920 VJNPUQPKNRSPOF-UONOGXRCSA-N 249.398 3.627 30 20 BHED N#CC1(CCN2CC3CCC2CC3)CCCCC1 1325996046 LOOYCSHZWYGUJZ-UHFFFAOYSA-N 246.398 3.725 30 20 BHED N#Cc1ccc(CSc2cccs2)s1 1458914235 DZVJIYQKHXXPPQ-UHFFFAOYSA-N 237.374 3.974 30 20 BHED C=C(Cl)CN[C@H](C)c1ccc(Cl)cc1 42224777 NMDHOPUOVZNDRW-SECBINFHSA-N 230.138 3.743 30 20 BHED C[C@@H](NCCCCC#N)c1cc2ccccc2o1 161860922 PEXFUYRTHNESGH-GFCCVEGCSA-N 242.322 3.777 30 20 BHED C=CCCCOc1cccc(Cl)c1[N+](=O)[O-] 163124044 LFZYZAOAPUOYBK-UHFFFAOYSA-N 241.674 3.593 30 20 BHED C=CCCCC(=O)Nc1ccc(C)cc1Cl 177457980 RARZZKTUFWSBDY-UHFFFAOYSA-N 237.730 3.943 30 20 BHED C=C(C)COc1cccc(NCc2cc[nH]c2)c1 178221731 LGSPIGVWGNNEQT-UHFFFAOYSA-N 242.322 3.582 30 20 BHED C[C@H](N(C)Cc1cccc(C#N)c1F)C(C)(C)C 223520008 SHHMBAVVCRLOKG-NSHDSACASA-N 248.345 3.564 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1cc(F)ccc1O 281607139 MQSLZCAQNCUQCM-ZYHUDNBSSA-N 237.318 3.537 30 20 BHED C=CCNc1ccc(-c2ccco2)cc1F 309550347 FSYSUINECPKFOJ-UHFFFAOYSA-N 217.243 3.684 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1cccc(C#N)c1 310925779 BGGDJJNMDKPPFE-CYBMUJFWSA-N 242.366 3.811 30 20 BHED C=CCCCCN[C@H](C)c1ccc(C)cc1O 383366603 VKWNHHLZGSHUAT-CYBMUJFWSA-N 233.355 3.708 30 20 BHED C=CCN[C@@H](c1cccc(F)c1)C(C)(C)C 390535367 JYEFZNJDKJPMCU-ZDUSSCGKSA-N 221.319 3.689 30 20 BHED Cc1cccc([C@H](C)NCC2(CC#N)CC2)c1C 430764535 SJHRLGIGJWIFFN-AWEZNQCLSA-N 242.366 3.648 30 20 BHED C=CCC[C@@H](NC1CC(C)(F)C1)c1ccco1 453244214 YQCRRNPJUIXAQX-MBHSVXNSSA-N 237.318 3.767 30 20 BHED C=C[C@](C)(CC)C(=O)N1CCCCC(C)(C)C1 467871181 JUKPFGYLZOZVBG-OAHLLOKOSA-N 237.387 3.627 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C 468008381 ZYUJMKUUYDOJCV-RMRHIDDWSA-N 237.387 3.530 30 20 BHED C=CCCCCN[C@H]1CCc2ccc(F)cc21 471612642 NTRQSISZTSQDPR-HNNXBMFYSA-N 233.330 3.759 30 20 BHED C=C(C)CN(C1CC1)[C@H]1CCc2ccccc21 505911353 CCYATNOIXNOMJQ-INIZCTEOSA-N 227.351 3.714 30 20 BHED C=CCCC[C@H](C)N1CCC(CCC#N)CC1 583691229 GEIROCOUFPWALJ-AWEZNQCLSA-N 234.387 3.747 30 20 BHED CN(C[C@H]1CC=CCC1)[C@@H](C#N)c1ccccc1 595428258 WTMVGYACNYPGAW-HOCLYGCPSA-N 240.350 3.539 30 20 BHED C=CCCN(CC)Cc1ccc(Cl)cc1 606897173 ZIWVWODZJSRWHP-UHFFFAOYSA-N 223.747 3.738 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H]1CC[C@H](C)CC1 620864905 TVLUTRDLKNJWFS-JOCQHMNTSA-N 237.387 3.674 30 20 BHED C=CCC1(c2nc(C3CCC3)no2)CCCC1 651200421 KBOJBBPZYMTUFX-UHFFFAOYSA-N 232.327 3.725 30 20 BHED C=CC[C@H](C)[C@@H](C)NC1CC2(CCC2)C1 652051499 HMIDTHLMAIREBN-NWDGAFQWSA-N 207.361 3.509 30 20 BHED C=CCCN[C@@H](C)c1cc(Cl)ccc1OC 658117360 UUVZVEPNOMOCPS-JTQLQIEISA-N 239.746 3.575 30 20 BHED C=CCCc1noc(-c2ccc(C3CC3)cc2)n1 664896759 HUADTEXEKXRWOY-UHFFFAOYSA-N 240.306 3.733 30 20 BHED C=CCC(C)(C)CN[C@H](C)CC(C)(C)C#N 695814612 ZZRLMCGPNHROEL-GFCCVEGCSA-N 222.376 3.507 30 20 BHED O=C1/C(=C\c2cccs2)Oc2ccc(F)cc21 749745977 JLJIIUAPDSHHCW-KPKJPENVSA-N 246.262 3.503 30 20 BHED COc1ccc(NN=C2CCC[C@@H]2C(C)C)cc1 750926471 YKYNOKNBKYYMDJ-CQSZACIVSA-N 246.354 3.919 30 20 BHED CC[C@H](C)C=NNc1ccc(Cl)cc1 755461440 CNMXBYDVNAXCDC-VIFPVBQESA-N 210.708 3.784 30 20 BHED CCC(C[C@@H](C)CC)=NO[C@@H]1CCCCO1 755816299 DQKIZIPDCUXOCB-WCQYABFASA-N 227.348 3.732 30 20 BHED COc1cc(F)ccc1NN=C1CC2(CCC2)C1 761884607 IRNFKXAJIDBFIB-UHFFFAOYSA-N 248.301 3.566 30 20 BHED C[C@H]1CCC[C@H](C=NNc2ccc(C#N)cc2)C1 768359456 DYBMFVPIERGBHM-JSGCOSHPSA-N 241.338 3.782 30 20 BHED CC(C)CON=CCSCc1ccccc1 774392174 CJTGRQNWVQKCRI-UHFFFAOYSA-N 237.368 3.578 30 20 BHED CC1=C(C(=O)O[C@@H](C#N)C2CCCCC2)CCC1 776395765 NANOFQFKBMTIJC-AWEZNQCLSA-N 247.338 3.502 30 20 BHED CC(CC1CCC1)=NN[C@@H](C)C(C)(C)C 793114304 KTWJEAGPLAKJCI-NSHDSACASA-N 210.365 3.577 30 20 BHED CCC(C=NNc1cccc(Cl)n1)CC 793174043 HMZDUNLOSRYPSC-UHFFFAOYSA-N 225.723 3.569 30 20 BHED CC(C)C[C@H](C)C=NOCc1ccccc1 799106419 GTJIKYHBOBIMNN-ZDUSSCGKSA-N 219.328 3.871 30 20 BHED COc1ccccc1CON=C1CCC(C)(C)C1 799117617 MMAMKEXTQHXAHG-UHFFFAOYSA-N 247.338 3.778 30 20 BHED C=CC[C@@H](NC[C@@H](C)C(C)(C)C)c1ccncc1 802645327 NGOVONYSLKTKAP-UKRRQHHQSA-N 246.398 3.971 30 20 BHED CCC(C=NNc1nccnc1C1CCC1)CC 807994446 SQNOYPPBZQILQI-UHFFFAOYSA-N 246.358 3.578 30 20 BHED CC(=NOC/C=C\Cl)c1ccc(F)cc1C 811669352 OLRNFGPQGAQSQR-PAIKAKGKSA-N 241.693 3.627 30 20 BHED C=CCC(C)(C)C(=O)NCc1c(C)cccc1C 814119973 CJUABDYKQYXBGE-UHFFFAOYSA-N 245.366 3.522 30 20 BHED CC(=NOCCC1CC1)c1c(C)cc(C)cc1O 814244723 BHNJPJOIFHVHJJ-UHFFFAOYSA-N 247.338 3.550 30 20 BHED CCC(C=NNc1cc(C)nc(C)n1)(CC)CC 814807389 RVWGWGKUGVIKNL-UHFFFAOYSA-N 248.374 3.708 30 20 BHED CCCC1(C(=O)O[C@H]2CCC[C@H](C#N)C2)CCC1 839058782 XUXHYOMTOOKWAN-STQMWFEESA-N 249.354 3.582 30 20 BHED CC(C)=CCC[C@@H](C)CC(=O)OC(C)(C)C#N 842734336 DPEFUUUZYCRIBG-GFCCVEGCSA-N 237.343 3.604 30 20 BHED C=C(C)c1ccc([C@@H](O)CC(F)(F)F)cc1 844235409 AWRJFDSAWBUFAN-NSHDSACASA-N 230.229 3.706 30 20 BHED C=CC(C)(C)Cc1nc([C@@H](C)SCC)no1 896143166 KIRSOFSKSJBSHL-SECBINFHSA-N 240.372 3.638 30 20 BHED CCN(CCCCC1(C#N)CCC1)CC1CC1 929625685 TYYDURNNHLCHDN-UHFFFAOYSA-N 234.387 3.582 30 20 BHED CCc1ccc(/C=C/c2cc(C#N)ccn2)cc1 1116855000 SXEHMPDCQLZNIP-BQYQJAHWSA-N 234.302 3.686 30 20 BHED C=CCC(CC=C)c1nnc([C@@H]2CCCCO2)o1 1325811163 KZXSOEDESOFRHA-LBPRGKRZSA-N 248.326 3.547 30 20 BHED Cc1cc(C)cc(OCc2cccc(C#N)c2)c1 19804886 MQVLVEHQECSFES-UHFFFAOYSA-N 237.302 3.754 30 20 BHED CCCCC[C@H](C)NCc1ccc(C#N)cc1 35141432 OSPOERPILHKZNU-ZDUSSCGKSA-N 230.355 3.617 30 20 BHED C[C@H](NCc1ccccc1C#N)C1CCCCC1 52338278 OENLNKGLLCJFQO-ZDUSSCGKSA-N 242.366 3.617 30 20 BHED Cc1ccc(Oc2ccc(C#N)cn2)c(Cl)c1 54351045 QTFSSFKTMPCVME-UHFFFAOYSA-N 244.681 3.707 30 20 BHED C=CCOc1ccc(CN[C@H](C)CC2CC2)cc1 70101515 NFPNTRCFMHWHGT-CYBMUJFWSA-N 245.366 3.530 30 20 BHED C=C(Cl)COc1ccccc1C(C)C 70233665 YIYZEAWBBXSCFK-UHFFFAOYSA-N 210.704 3.941 30 20 BHED CC(C)(C#N)CCCSC1CCCC1 83642804 OXKYHMPJOBTSFG-UHFFFAOYSA-N 211.374 3.992 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cc(Cl)ccc1OC 122985165 VSHPSCVJEXHYRU-UWVGGRQHSA-N 239.746 3.574 30 20 BHED CCCCN(CCC#N)[C@H](C)c1ccccc1 123367103 NVWFIDNWEXIPKI-CQSZACIVSA-N 230.355 3.763 30 20 BHED C=CCC[C@@H](C)NC1(c2ccccc2)CC1 134941146 BBXHWJZXZDPRLR-CYBMUJFWSA-N 215.340 3.620 30 20 BHED CCCc1ccc([C@@H](C)NCCCCC#N)cc1 178644400 ALVWJILDOCFSCA-CQSZACIVSA-N 244.382 3.984 30 20 BHED C[C@@H](CC#N)N(C)C/C=C/c1ccc(Cl)cc1 179451970 LAYZJZNENRNWPU-PCAWENJQSA-N 248.757 3.587 30 20 BHED C=CCC1(C(=O)Nc2ccc(F)cc2C)CCC1 190522676 ZGOQLFFZJDMXDH-UHFFFAOYSA-N 247.313 3.819 30 20 BHED C=CCSc1nc(-c2ccccc2)co1 195100310 ASMSGAHJOGLDHC-UHFFFAOYSA-N 217.293 3.620 30 20 BHED C=CCCCCCOc1ccc(C=O)cc1F 225807706 HZOZAWWBOGFGPM-UHFFFAOYSA-N 236.286 3.763 30 20 BHED Cc1ccc(C#N)cc1NC[C@@H]1C[C@H]2CC[C@H]1C2 250915568 HYANGSIYMGSTAX-QEJZJMRPSA-N 240.350 3.715 30 20 BHED C=CCCCCNC(=O)Nc1c(C)cccc1C 274440802 AXMLBROSAPTTSV-UHFFFAOYSA-N 246.354 3.781 30 20 BHED CCCC[C@@H](Nc1ccc(C#N)cn1)C1CCC1 301596664 GKJHTFZUQCUMGC-CQSZACIVSA-N 243.354 3.724 30 20 BHED C=C(CC)CN[C@@H]1CCC[C@@H](C(F)(F)F)C1 313476865 BHJPVTXEEKCREX-GHMZBOCLSA-N 235.293 3.663 30 20 BHED C=CCCN(C)C(=O)c1ccc(C2CCC2)cc1 359834006 GWQJRFLPXNSRAO-UHFFFAOYSA-N 243.350 3.602 30 20 BHED C=CC[C@H](C)[C@H](C)NC[C@H]1CCC[C@@H]1C 389878284 MVQCYFRNIXGJJD-XDQVBPFNSA-N 209.377 3.613 30 20 BHED C=CC[C@H](CC)N[C@@H](CC)Cc1ccccc1 393805176 PSYBNJKNGZDDJE-HOTGVXAUSA-N 231.383 3.952 30 20 BHED CC[C@@H](NCCCC(C)(C)C#N)[C@H]1CC1(C)C 419326566 YIDLSWPSIBTKOI-CHWSQXEVSA-N 236.403 3.731 30 20 BHED C[C@@H]1CC(C)(C)CC[C@@H]1N[C@H]1CCC[C@@H](C#N)C1 447585941 LBQGNEHTHOHGSG-KBXIAJHMSA-N 248.414 3.873 30 20 BHED C=CCCCN[C@@H](Cc1ccccc1)C(C)C 448030773 SPMBJHCJNGDFFO-INIZCTEOSA-N 231.383 3.810 30 20 BHED CC(C)[C@@H](CN(C)C[C@H](C)C#N)c1ccccc1 474155955 FKKQOYXYQXCBPZ-GDBMZVCRSA-N 244.382 3.518 30 20 BHED C=CCCCC(=O)NC(C)(C)c1ccccc1C 508049075 FIMDLZMHOMGTKG-UHFFFAOYSA-N 245.366 3.703 30 20 BHED CCC(CC)[C@@H](C)C(=O)Nc1ccccc1C#N 535625406 BBKRVZKVFAVYDO-LLVKDONJSA-N 244.338 3.569 30 20 BHED CC1(C)CCN([C@H]2CC[C@H](C#N)C2)CC(C)(C)C1 595748359 FXUZQZBBLZXHSG-KBPBESRZSA-N 248.414 3.827 30 20 BHED CCC1CCC(N(C)C[C@H](C)CCC#N)CC1 602442093 UORVESPQJXXPQR-WLYUNCDWSA-N 236.403 3.827 30 20 BHED C=CCC1(NC(=O)c2cscc2C)CCCC1 619107517 CTTYXKMSHBMAPO-UHFFFAOYSA-N 249.379 3.675 30 20 BHED C=CCCCOC(=O)c1cc(C)c(CC)s1 735525434 HWDQCZGYAVQBIR-UHFFFAOYSA-N 238.352 3.742 30 20 BHED CCCCCC[C@H](C)NN=C1CCCC1 743450603 NURSYOMROIWMNE-LBPRGKRZSA-N 210.365 3.865 30 20 BHED C#CCN(Cc1ccccc1)Cc1ccccc1C 746156315 IKVQUAZHTOXMSY-UHFFFAOYSA-N 249.357 3.630 30 20 BHED C=CC[C@H](C)NC(=O)c1ccc([C@@H](C)CC)cc1 755379482 QOUCWGWVMNIUTA-STQMWFEESA-N 245.366 3.895 30 20 BHED C[C@H]1C[C@@H]1C=NNc1cccc2ccccc12 758374208 CVVWPNDEGWQCGT-WCQYABFASA-N 224.307 3.894 30 20 BHED C=C(CC)COC(=O)[C@H]1CCCc2ccccc21 773481445 QLLFPCFKTQWWSU-HNNXBMFYSA-N 244.334 3.616 30 20 BHED CC(CCC1CCCCC1)=NNc1nccn1C 790305912 QQJUGSGMRQNWQR-UHFFFAOYSA-N 248.374 3.568 30 20 BHED CCCC(=NNCC(CC)CC)c1cccnc1 814906274 MUYPETJXJCHWLE-UHFFFAOYSA-N 247.386 3.612 30 20 BHED C=CCCCCCOC(=O)[C@H](C)C(C)(F)F 815488814 JEJYVKOMBLWTIC-JTQLQIEISA-N 234.286 3.567 30 20 BHED C=C(C)CCN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21 834881928 GJCHHQZTEAPGME-PWSUYJOCSA-N 249.329 3.635 30 20 BHED CCCC1(C(=O)O[C@@H]2CCC[C@H](C#N)C2)CCC1 839058781 XUXHYOMTOOKWAN-QWHCGFSZSA-N 249.354 3.582 30 20 BHED CC(=NOCC(F)(F)F)[C@H]1C[C@H]2C=C[C@H]1CC2 842529319 VSNZDAJGYRFCOQ-GARJFASQSA-N 247.260 3.544 30 20 BHED C=C[C@H](C)ON=C(C)[C@@H]1C[C@H]1c1cccs1 844621153 UULSUPZZZSPDOA-ZMLRMANQSA-N 235.352 3.819 30 20 BHED C[C@H]1CCCC(=NN[C@H](C)c2ccccc2)C1 920385981 MKHCEVVERSNXDK-QWHCGFSZSA-N 230.355 3.903 30 20 BHED Cc1ccc2c(c1)CCC2=NNc1ccccc1 921254529 XIUKTKAVOKNONQ-UHFFFAOYSA-N 236.318 3.757 30 20 BHED CC[C@@H](Nc1cc(C)c(C#N)cn1)C1CCCC1 1639908386 CXUDOWNOWZPXJY-CQSZACIVSA-N 243.354 3.642 30 20 BHED N#Cc1ccccc1NCc1cc2ccccc2o1 20090027 SHNHGSLNMSHWRC-UHFFFAOYSA-N 248.285 3.917 30 20 BHED CC#CCN[C@H](C)c1cccc2ccccc12 43194140 VPKVYBUPKWFUPD-CYBMUJFWSA-N 223.319 3.514 30 20 BHED Cc1ccc(Cl)c(OCCC(C)(C)C#N)c1 57713780 BEGHYOPSPLPFDA-UHFFFAOYSA-N 237.730 3.967 30 20 BHED C#CCCOc1ccccc1-c1ccccc1 113272974 VVTHSOGNTATMOB-UHFFFAOYSA-N 222.287 3.756 30 20 BHED C=C(C)CN[C@H](C)c1ccc(C(F)(F)F)cc1 128477059 XFWGRLBVWCUFJE-SNVBAGLBSA-N 243.272 3.932 30 20 BHED C#CCCCSCc1ccccc1C 161019753 WQHDWHVNTVZGQF-UHFFFAOYSA-N 204.338 3.642 30 20 BHED CC#CCCCC(=O)N[C@@H](CCCC)C1CCC1 185831148 FOCLQDRDFAFTAB-HNNXBMFYSA-N 249.398 3.655 30 20 BHED C=CCCC[C@H](C)NC(=O)C1(CC=C)CCC1 190016637 ZTBBOIUFPNZUBO-ZDUSSCGKSA-N 235.371 3.594 30 20 BHED Cc1ccc(F)cc1OCc1cccc(C#N)c1 230402992 VWLPYKGKVLYZGI-UHFFFAOYSA-N 241.265 3.585 30 20 BHED Cc1ccc(C(=O)/C=C\c2cc(F)cc(F)c2)o1 255550132 BMPFJVIDGDTWOS-ARJAWSKDSA-N 248.228 3.762 30 20 BHED CCN(CCCCC#N)c1ccc2[nH]ccc2c1 276386442 MJVOHHUFKHJSMI-UHFFFAOYSA-N 241.338 3.688 30 20 BHED C=CCC[C@H](N[C@H]1CC[C@@H](C)C1)C1CC1 309151383 WLPREBYRMWUUCH-XBFCOCLRSA-N 207.361 3.509 30 20 BHED C#Cc1cccc(N[C@H](C)[C@@H](C)CC=C)c1 309513100 XXFSFFNAHMRPID-QWHCGFSZSA-N 213.324 3.681 30 20 BHED CCCCCCCN[C@@H]1CCC[C@@H](C#N)C1 310021678 NQCNHTGBYNJMDZ-ZIAGYGMSSA-N 222.376 3.629 30 20 BHED C=CCC[C@@H](CCC)NC[C@@H]1CCCCS1 310037738 VKWWZOGVLPSJQT-KGLIPLIRSA-N 241.444 3.997 30 20 BHED CC(C)(C#N)CCSCc1cccc(C#N)c1 342010691 BVWOCAXPCUNWJG-UHFFFAOYSA-N 244.363 3.731 30 20 BHED C=CCCCn1ccc(-c2ccccc2)n1 354315739 HXAHXYJWWDSRMK-UHFFFAOYSA-N 212.296 3.516 30 20 BHED C#CCCCCN[C@H]1CCCCC12CCCC2 383802609 TYJCVOPHUBPBDL-HNNXBMFYSA-N 233.399 3.883 30 20 BHED CC[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 414221017 KFZKEBXBLUVDMH-CWRNSKLLSA-N 242.366 3.810 30 20 BHED N#CC1(CSCc2ccc(F)cc2)CCC1 419390279 IKDNFHUMOUBDDQ-UHFFFAOYSA-N 235.327 3.753 30 20 BHED Cc1cccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c1C 424320617 GARRVQQRUQPECS-QLFBSQMISA-N 242.366 3.646 30 20 BHED C=CCCCCNC(=O)[C@H]1CCCC(C)(C)C1 471713943 OVKQNQDBQMXPRD-ZDUSSCGKSA-N 237.387 3.675 30 20 BHED C=CCCCCCN1CCC[C@@H]1c1ccc[nH]1 488178259 FBGNOTOHBQTREU-OAHLLOKOSA-N 232.371 3.898 30 20 BHED CCOc1ccc(C#N)cc1N[C@H]1CC[C@H](C)C1 500994798 HUWQJZRNSDFMGA-AAEUAGOBSA-N 244.338 3.557 30 20 BHED C=CCc1ccc(OCC[C@H](C)F)c(OC)c1 505689242 FVAWEMLBKFFLFO-NSHDSACASA-N 238.302 3.551 30 20 BHED CC(C)CC[C@@H]1CCCN1CCC(C)(C)C#N 539587397 CESFJBLZEBJLHM-AWEZNQCLSA-N 236.403 3.827 30 20 BHED C=CCN(C(=O)[C@@H]1CCC[C@@H]1CC)C(C)(C)C 622945714 PBGMJSDWXKKQDU-QWHCGFSZSA-N 237.387 3.626 30 20 BHED C=CCC1(NCc2cc(C)ccn2)CCCCC1 625934700 XJANKXMGSMNZMU-UHFFFAOYSA-N 244.382 3.759 30 20 BHED C=CCCC(=O)Oc1cc(Cl)cc(Cl)c1 726498500 NZOFWLYUFYIXCH-UHFFFAOYSA-N 245.105 3.865 30 20 BHED CC(=NNC1CCCC1)c1cc2ccccc2o1 727651900 DCFKPAPUVDRRLZ-UHFFFAOYSA-N 242.322 3.689 30 20 BHED C[C@@H]1CCC[C@@H]1/N=C/c1cc(Cl)ccc1O 729641817 YORBJGLURBRFLW-ZDIKFTBFSA-N 237.730 3.653 30 20 BHED C=CCCCSCc1c(C)nn(C)c1Cl 735506769 LIRGNXXPTLSPPT-UHFFFAOYSA-N 244.791 3.581 30 20 BHED CCCCCCCCNC(=O)CC1CCC1 754854447 OFLRUCGDYYBBSV-UHFFFAOYSA-N 225.376 3.653 30 20 BHED Cc1cccc(C)c1C=NNc1cccc(C#N)c1 755623561 COYZFWRALAHWBF-UHFFFAOYSA-N 249.317 3.621 30 20 BHED CC[C@H]1CCCC1=NOCc1ccccc1 758374068 NMMRGGSBEJDFQS-ZDUSSCGKSA-N 217.312 3.769 30 20 BHED C=CCC[C@@H](CCC)N[C@@H](C)Cc1ccco1 764772073 XOBNXWFLUWBWRO-UONOGXRCSA-N 235.371 3.935 30 20 BHED C#CCCCN(CC)Cc1ccc(Cl)s1 766895255 CIBHBMGIMYSEQL-UHFFFAOYSA-N 241.787 3.637 30 20 BHED CCC(CC)CNN=C1CCC(C)(C)C1 774477991 OPOOXWQSOUUNAG-UHFFFAOYSA-N 210.365 3.578 30 20 BHED C=CCCCCCC(C)=NOC[C@H]1CCOC1 789051517 RNRVMBQVPIXAPA-AWEZNQCLSA-N 239.359 3.552 30 20 BHED CC[C@H](C)NN=C1C[C@@H](C)CC[C@H]1CC 797403618 SISWKZGQLXPHQP-SDDRHHMPSA-N 210.365 3.577 30 20 BHED Cc1ccc2c(c1)C(=NOC1CCC1)CCC2 812236996 DTZPQQCVCMZZJZ-UHFFFAOYSA-N 229.323 3.605 30 20 BHED CC(=NOCC1CC1)c1csc(Cl)c1 814242137 UXZZWSGMQFDYSS-UHFFFAOYSA-N 229.732 3.552 30 20 BHED C[C@@H]1CC(C)(C)CCC1=NOCC1CC1 814243682 JIXHJCDHVHZGRQ-SNVBAGLBSA-N 209.333 3.615 30 20 BHED C[C@H]1CCC(=NNc2nc3ccccc3s2)C1 814685564 SEXOYZMIGCYOKB-VIFPVBQESA-N 245.351 3.884 30 20 BHED CCCCC(CC)=NN[C@@H](C)c1ccncc1 819815514 SAOLAFUSLLFTQF-LBPRGKRZSA-N 233.359 3.688 30 20 BHED CC(C)(C)C=NNc1cc(Cl)nc(Cl)c1 819828632 KWHCLUKLGBJIPV-UHFFFAOYSA-N 246.141 3.832 30 20 BHED C=CC(C)(C)C(=O)OCC1CCC(F)(F)CC1 837861405 ARJPXWSTJRDXIS-UHFFFAOYSA-N 246.297 3.567 30 20 BHED C#CC[C@@H](NC1CC2(CCC2)C1)c1ccccc1 838983576 WKIJZFCTSZUKCH-MRXNPFEDSA-N 239.362 3.673 30 20 BHED Cc1cc(Cl)ccc1CN(C1CC1)[C@@H](C)C#N 852482588 ZJNJVXQTMPAHGB-NSHDSACASA-N 248.757 3.525 30 20 BHED C=CCN(C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)C(C)C 915153438 LJVLIVBYLANFSK-UONOGXRCSA-N 249.398 3.648 30 20 BHED C[C@H]1CCCCC1=NNc1cccc([N+](=O)[O-])c1 916268863 BJCKOJSCEJSEAN-JTQLQIEISA-N 247.298 3.573 30 20 BHED C=CCN(Cc1cc(C)ccc1C)C(C)C 917069673 UGKJYFIKOBMWLL-UHFFFAOYSA-N 217.356 3.700 30 20 BHED CC(C)=C1CC[C@@H](C)C[C@H]1NCCCCC#N 924943084 SARJFFIYRUGAHD-UKRRQHHQSA-N 234.387 3.795 30 20 BHED C=C(CC)CN1CCC(Nc2ccccc2)CC1 1116470858 CUYZLKKLNDQGGE-UHFFFAOYSA-N 244.382 3.529 30 20 BHED N#C[C@H](C(=O)CC1CCCCC1)c1ccccc1 35898545 OFTNWMQZDHAYLH-HNNXBMFYSA-N 241.334 3.833 30 20 BHED C#Cc1cccc(N[C@H](C)c2cccc(C#N)c2)c1 37185263 CQUJFNXCVLUGRB-CYBMUJFWSA-N 246.313 3.713 30 20 BHED Cc1cc(C)cc(/C=C/C(=O)c2cccnc2)c1 49371800 YUJDXHABTBXZET-AATRIKPKSA-N 237.302 3.595 30 20 BHED C=CCCCOc1ccc(Cl)cc1C(C)=O 70592598 SPCJTAXHICWPED-UHFFFAOYSA-N 238.714 3.888 30 20 BHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccoc1 94868165 RIFUFALGCHKJJB-NEPJUHHUSA-N 240.306 3.563 30 20 BHED C=CCCC(=O)N(C)Cc1ccc(C(C)C)cc1 102322567 DYQPSEURIOKGSN-UHFFFAOYSA-N 245.366 3.735 30 20 BHED C=CCC[C@@H](C)Nc1cccc(NC(=O)OC)c1 130613636 ODLMMMXYKRLKCX-LLVKDONJSA-N 248.326 3.632 30 20 BHED CCCCC[C@H](C)Nc1nccc(C)c1C#N 135067679 LJADVMGFTIRXHR-LBPRGKRZSA-N 231.343 3.642 30 20 BHED C=CCCCC(=O)Nc1cccc(Cl)c1C 175195848 JIMBUUWILYFQMM-UHFFFAOYSA-N 237.730 3.943 30 20 BHED C=CCCNc1cc(-c2nc(C)co2)ccc1C 177403606 IMGAGRTZHQANRT-UHFFFAOYSA-N 242.322 3.946 30 20 BHED Cc1cccc(N(C)CC(C)(C)CCC#N)c1 184736245 NEIRBWREGALQAU-UHFFFAOYSA-N 230.355 3.761 30 20 BHED N#CCCCN1CCCC[C@H]1c1ccccc1 273845419 KFVHRCDISKOGDW-HNNXBMFYSA-N 228.339 3.517 30 20 BHED C=CCCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 286372424 FFCUHOSNPPMXRB-ZFWWWQNUSA-N 243.350 3.562 30 20 BHED CC[C@@H](CC(C)C)C(=O)Nc1ccc(C#N)cc1 308087972 MCTGNQJVRYSREJ-ZDUSSCGKSA-N 244.338 3.569 30 20 BHED CC[C@H](CC#N)N[C@H](C)C[C@H](C)CC(C)C 310039554 XBSUPZFDSSLDIO-MGPQQGTHSA-N 224.392 3.729 30 20 BHED C=CCCN1CCC(c2ccsc2)CC1 338568903 AVBPXNWMZRQXSZ-UHFFFAOYSA-N 221.369 3.504 30 20 BHED CC[C@](C)(C#N)c1nc([C@H]2CCCC[C@@H]2C)no1 346419798 TWZANKMOTZDUMB-COPLHBTASA-N 247.342 3.555 30 20 BHED CC1(C)CCC(c2noc(C(C)(C)C#N)n2)CC1 347494127 SGOQAPMBQKGPEA-UHFFFAOYSA-N 247.342 3.555 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1nc(C)sc1C 384858277 NMRDEWDPZQGAKQ-VIFPVBQESA-N 238.400 3.623 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@@H](C)C(CC)CC 410119599 DXMHVOMTCMCOJT-WCQYABFASA-N 225.376 3.530 30 20 BHED N#C[C@H]1CC[C@H](N2CCC3(CCCCC3)CC2)C1 429680222 SNVRFKQVIPHJNN-GJZGRUSLSA-N 246.398 3.725 30 20 BHED C=CCC(C)(C)C(=O)N(C)CC1CCCCC1 429902932 NCVDNDNSBPBBRF-UHFFFAOYSA-N 237.387 3.627 30 20 BHED CCOCCCSCCCCC(C)(C)C#N 435881802 QIKMQFICVMCHIZ-UHFFFAOYSA-N 243.416 3.866 30 20 BHED C=CCCN(C)CCCCCOc1ccccc1 467388368 KVRJENCNXZTHAO-UHFFFAOYSA-N 247.382 3.744 30 20 BHED C=CCOCCCOc1cccc(C(C)C)c1 478780467 MYNQTRLNACYFSR-UHFFFAOYSA-N 234.339 3.782 30 20 BHED C=CCOCCCOc1ccc2ccccc2c1 478787830 KYAUHWHBPMCSMX-UHFFFAOYSA-N 242.318 3.811 30 20 BHED C=CCCCC[C@H](C)NC[C@H]1CCO[C@H](C)C1 493706900 NKKRZADQECLZJR-ZNMIVQPWSA-N 239.403 3.526 30 20 BHED CCCN(CC(C)C)[C@@H](C)c1ccc(C#N)cc1 508608533 KHLCOJONQCXVAL-AWEZNQCLSA-N 244.382 3.987 30 20 BHED C=CCCCC(=O)N[C@@H]1CCCC[C@H]1CCC 530882671 ROUMOOYEMJRWRJ-ZIAGYGMSSA-N 237.387 3.818 30 20 BHED C=CC1CCN(C/C=C/c2ccc(F)cc2)CC1 536673550 KSULHBQNOIGHBN-ONEGZZNKSA-N 245.341 3.737 30 20 BHED C[C@H](N[C@]1(C)CC1(C)C)c1ccc(C#N)c(F)c1 595102151 KNRHBHJUTLDZOC-ZUZCIYMTSA-N 246.329 3.537 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H](C)[C@@H](C)CC 620858161 YIXAJSPIUFQYAM-NWDGAFQWSA-N 225.376 3.530 30 20 BHED C=CCCCCNc1nccc2c(N)cccc12 663810125 JJIFHYWWLVCRIA-UHFFFAOYSA-N 241.338 3.585 30 20 BHED C(=NNc1ccccc1)c1cccc2[nH]ccc12 755461595 IBOUXXZQZNKBQB-UHFFFAOYSA-N 235.290 3.614 30 20 BHED COc1ccsc1/C=C/C(=O)c1ccc(C)o1 764431451 CVGBSSDUBSVNTF-GQCTYLIASA-N 248.303 3.554 30 20 BHED C=CCN(Cc1ccnc2ccccc12)C(C)C 768547391 KPYFZHSHFRRPIC-UHFFFAOYSA-N 240.350 3.631 30 20 BHED C#CCCCCCC(=O)N[C@H](C)CCCCC 779715921 QXDKBHSTZWPJRH-CQSZACIVSA-N 237.387 3.655 30 20 BHED CC[C@@H]1CCC[C@@H](C=NN[C@H](C)CC)C1 790190053 MXXIPDGMZAEXMQ-JHJVBQTASA-N 210.365 3.577 30 20 BHED FC(F)C1CCC(=NOC/C=C/Cl)CC1 811668036 JXGCDJGDFKYOHY-WTZFHFHASA-N 237.677 3.567 30 20 BHED C[C@H]1CCC(=NNc2nccc3sccc23)C1 814809063 NZVWCSBARXMLPE-VIFPVBQESA-N 245.351 3.884 30 20 BHED Cc1ccc(F)c(NN=Cc2ccsc2C)c1 814872345 LKLAHABIDFOWBU-UHFFFAOYSA-N 248.326 3.950 30 20 BHED CC1(C)CCC[C@H]1NN=C1CC[C@H]1C1CCC1 814917782 RFABKJSMELHGBI-GXTWGEPZSA-N 234.387 3.721 30 20 BHED CCCCCCCN[C@H](C)c1nccn1CC 834702538 QHXDYBWDIHVJGM-CYBMUJFWSA-N 237.391 3.524 30 20 BHED C=CCNN=C1CC[C@H](c2cccc(Cl)c2)C1 841638826 YPHJJGNWJPQSSG-LBPRGKRZSA-N 248.757 3.739 30 20 BHED C=C[C@@H](C)ON=C(C)CCCC(F)(F)F 844626091 RPIJDZAJGFHNBP-SECBINFHSA-N 223.238 3.686 30 20 BHED C=C1CC(c2noc(C3CCC=CCC3)n2)C1 896875994 RZFFVEGHTHZROY-UHFFFAOYSA-N 230.311 3.717 30 20 BHED C=C(C)CCC(=O)NC1(c2ccccc2)CCC1 1335634436 HUQIQYKHBWBWFW-UHFFFAOYSA-N 243.350 3.538 30 20 BHED C=C(C)CCC(=O)Nc1cccc(C)c1Cl 1336962845 BCPXIKXWQGHREH-UHFFFAOYSA-N 237.730 3.943 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CC12CCCC2 1338296169 YGCNTLYCGFBELL-KGLIPLIRSA-N 247.382 3.524 30 20 BHED N#C[C@@H](S[C@@H]1CCOc2ccccc21)C1CC1 1559385686 SBRMSPHGPPHQRI-ZIAGYGMSSA-N 245.347 3.546 30 20 BHED N#Cc1cccc(CNCCC2CCCCC2)c1 37501041 ZQJIKEICIPRDGY-UHFFFAOYSA-N 242.366 3.618 30 20 BHED CC(C)c1ccc(CN2CCC(C#N)CC2)cc1 57907133 OFMKAJGEDKQXGV-UHFFFAOYSA-N 242.366 3.546 30 20 BHED C=CCSc1nccn1-c1ccc(C)cc1C 58801025 VRIUOVGDXSSHHP-UHFFFAOYSA-N 244.363 3.767 30 20 BHED C=C(CC)COc1cccc2c1CCCC2=O 97208095 JPMFJXXBRUUTCN-UHFFFAOYSA-N 230.307 3.551 30 20 BHED O=C(/C=C\c1cccc(F)c1)c1ccc(F)cc1 97552363 QAOGPZYAKOBUEO-WTKPLQERSA-N 244.240 3.861 30 20 BHED CCCCCCCC(=O)Nc1ccc(C)c(O)c1 113626972 GRDYYTWORJZNBC-UHFFFAOYSA-N 249.354 4.000 30 20 BHED CC[C@H]1CCCN(CC(C)(C)CCC#N)CC1 128857071 FOFGJNZQJJTXEC-AWEZNQCLSA-N 236.403 3.828 30 20 BHED C=CCC[C@@H](C)Nc1ccc(NC(=O)OC)cc1 130613227 BVIXLRZKZGDLCQ-LLVKDONJSA-N 248.326 3.632 30 20 BHED C=CCC[C@H](C)Nc1ccc(NC(C)=O)c(C)c1 130625814 FTLSOGOWMFMTRL-LBPRGKRZSA-N 246.354 3.720 30 20 BHED C#CCCCNC(=O)C[C@@H](C)CCCCCC 172946830 LMWMALJLLJKHAG-AWEZNQCLSA-N 237.387 3.513 30 20 BHED C=CCC[C@@H](C(=O)NCC(C)C)c1ccccc1 185994847 PDVCGGBACLJZJZ-OAHLLOKOSA-N 245.366 3.509 30 20 BHED C=C(C)CN(C)C(=O)c1ccc(C2CCC2)cc1 190059919 AFRYHVAYPGHPMR-UHFFFAOYSA-N 243.350 3.602 30 20 BHED Cc1ccccc1NCc1ccc(C#N)c(F)c1 190311465 YRNHJGJMTURCOF-UHFFFAOYSA-N 240.281 3.618 30 20 BHED Cc1ccc(C(=O)/C=C\c2ccc(O)cc2)s1 255718744 NCGDYPSHSXAXCH-YVMONPNESA-N 244.315 3.658 30 20 BHED C=C(C)CCNc1cccc(NC(=O)OC)c1C 288800284 ZAKCJPGYEHNIEV-UHFFFAOYSA-N 248.326 3.551 30 20 BHED CCc1ccc(Nc2c(C#N)cccc2C#N)cc1 302448920 ORGWMVOIMVGGSR-UHFFFAOYSA-N 247.301 3.736 30 20 BHED COc1cc(C#N)ccc1OCCC1CCCC1 310678179 QNMTYHCBZFMISA-UHFFFAOYSA-N 245.322 3.526 30 20 BHED N#C[C@H]1CC[C@@H](Nc2ccc3ccoc3c2)C1 336405662 YRHDINLJILJKFS-CMPLNLGQSA-N 226.279 3.537 30 20 BHED N#CCCCCN[C@H]1CCc2ccc(Cl)cc21 343102746 MWGOHYUVNYWONE-AWEZNQCLSA-N 248.757 3.611 30 20 BHED C=CC[C@H](C)NCc1cccc(SCC)c1 381563253 SCZZFUIBHDEXMG-LBPRGKRZSA-N 235.396 3.853 30 20 BHED C=CC[C@H](CC)NC(=O)[C@H](C)CC1CCCC1 410125477 XZWGVAHHYKHKEG-OCCSQVGLSA-N 237.387 3.674 30 20 BHED N#CC1(CSCC2=CCCCC2)CC1 419568718 AIAXUODXOPFAGC-UHFFFAOYSA-N 207.342 3.524 30 20 BHED CC1(C)C[C@H](c2ccccc2)N(CCCC#N)C1 425537373 HAAVRBTZGJGZAO-OAHLLOKOSA-N 242.366 3.763 30 20 BHED N#C[C@@H]1CC[C@@H](Nc2ccc(F)c(C3CC3)c2)C1 442863949 FEFBUFVAMAIFNX-ZYHUDNBSSA-N 244.313 3.807 30 20 BHED C=CCC1(C(=O)N[C@H](C)CC(C)C)CCCC1 450199052 KLRXFROMDPPKHB-CYBMUJFWSA-N 237.387 3.674 30 20 BHED C=C(C)CCNC(=O)[C@@H](CCC)CC(C)C 452742903 SCANQRKJDGUBCL-ZDUSSCGKSA-N 225.376 3.531 30 20 BHED C=CCCCN1CCC[C@@](C)(CCC)C1 464844012 BZWPZWQJKVIESL-CQSZACIVSA-N 209.377 3.855 30 20 BHED C=CCC(CC=C)C(=O)NCC1(C)CCCCC1 562905798 LUHGYMAFTJTQIY-UHFFFAOYSA-N 249.398 3.841 30 20 BHED C=CCCCCSCc1ncc(CC)o1 591401011 USBAZTRGKZMEDL-UHFFFAOYSA-N 225.357 3.827 30 20 BHED C[C@H](CCC#N)CN[C@H]1CCC(C)(C)C[C@H]1C 602572231 ZUBRHWLLAIZNMB-MCIONIFRSA-N 236.403 3.731 30 20 BHED C=CCCNCc1cc(OC)c2ccccc2c1 657583117 AUDPMERWQXBPFM-UHFFFAOYSA-N 241.334 3.514 30 20 BHED CCCCCCCNCc1nccn1C(C)C 703724558 WFQTYRHFMYXGBS-UHFFFAOYSA-N 237.391 3.524 30 20 BHED C=CCCCOC(=O)C[C@H]1CCC[C@H](C)C1 735535668 XSYWEENQTLZEEM-STQMWFEESA-N 224.344 3.712 30 20 BHED C=C(Cl)CN1CC[C@@H](c2ccccc2)[C@@H]1C 751775879 IXIPFKKRUVWHCD-GXTWGEPZSA-N 235.758 3.617 30 20 BHED C=CCCN1CCC(c2cccc(F)c2)CC1 752094943 YTNDFMKTPIFUGN-UHFFFAOYSA-N 233.330 3.581 30 20 BHED CC[C@H](C)C=NNc1nccc2sccc12 755650910 OMEVXMXPPDBAMK-VIFPVBQESA-N 233.340 3.740 30 20 BHED CCCC(C)=NNCc1cccc(Cl)c1 756831175 HOMSCDOQVGAGIG-UHFFFAOYSA-N 224.735 3.606 30 20 BHED Cc1cn(Cc2ccc(Cl)cc2C)cc1C#N 768924631 ZCXOHAPOPNDBEA-UHFFFAOYSA-N 244.725 3.678 30 20 BHED C#C[C@@H](C)N(C)Cc1csc(Cl)c1Cl 775183432 MDKKTACRQVAYCP-SSDOTTSWSA-N 248.178 3.508 30 20 BHED C=C(C)CN(C)C(=O)[C@@H](C)CCCCCC 778121369 JPOZUXLXPOWOGO-ZDUSSCGKSA-N 225.376 3.627 30 20 BHED C[C@@H]1CCCC(=NN[C@H](C)C(C)(C)C)[C@@H]1C 793116209 RGJJZSGWDMNJSA-IJLUTSLNSA-N 224.392 3.823 30 20 BHED CC(Cc1cccs1)=NN[C@H](C)C(C)(C)C 793118052 ZWPNEFYNRHLJJW-LLVKDONJSA-N 238.400 3.691 30 20 BHED C=CCCC(CCC)=NOCc1cccnc1 814883914 HETWTFMHOWJOFS-UHFFFAOYSA-N 232.327 3.721 30 20 BHED CCC(=NOC1CCC1)c1ccc(F)cc1F 814937118 VQMPXYKUYUKOMF-UHFFFAOYSA-N 239.265 3.648 30 20 BHED C=CCON=C1CC[C@H](Cc2ccccc2)C1 835016403 YWWWMUQNCUZVPJ-CQSZACIVSA-N 229.323 3.588 30 20 BHED CCON(CC1CCCCC1)[C@@H](C)CCC#N 839614531 CXXQDGUYGLUPNC-ZDUSSCGKSA-N 238.375 3.512 30 20 BHED CC(=NN[C@@H](C)c1ccccc1)c1ccc(C)o1 920386169 SQABLJTVBBGMQF-LBPRGKRZSA-N 242.322 3.663 30 20 BHED CC(C)(C)[C@H](NCC1CCC(C#N)CC1)C1CC1 926355072 BRYYLURPGZFTGK-SSDMNJCBSA-N 248.414 3.731 30 20 BHED CCCCCCCC(=O)N[C@@H]1CCC[C@@H](F)C1 1327150856 OOVQSQBUIZHVNU-CHWSQXEVSA-N 243.366 3.744 30 20 BHED C=CCN1CC=C(c2cccc(Cl)c2)CC1 10229 PHRHDPWFIUXENN-UHFFFAOYSA-N 233.742 3.615 30 20 BHED C[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2)C1 19950825 XHDKRSLPQADPDQ-RISCZKNCSA-N 214.312 3.549 30 20 BHED C[C@H](NC[C@H]1CC=CCC1)c1ccc(C#N)cc1 35256379 ONTZZGAUUPAQOD-ZFWWWQNUSA-N 240.350 3.565 30 20 BHED CC[C@H](CC#N)N[C@@H](C)c1ccccc1Cl 49508701 UYZCZTNRBCUDMS-WDEREUQCSA-N 236.746 3.683 30 20 BHED CCN(CCCC#N)[C@@H](C)c1ccc(F)cc1 53088400 JSPDYQIGUARWKA-LBPRGKRZSA-N 234.318 3.512 30 20 BHED CC(C)c1cccc(Oc2ccnc(C#N)c2)c1 61815310 HEERHCCOQWINEK-UHFFFAOYSA-N 238.290 3.869 30 20 BHED C[C@H]1CCC[C@@H](C)CN1CC(C)(C)CCC#N 93509361 FBVAXQOZEBAHRK-KGLIPLIRSA-N 236.403 3.827 30 20 BHED CC(C)(C)CCNc1ccc(F)cc1C#N 97635442 PPJZCNLHWLZAMC-UHFFFAOYSA-N 220.291 3.545 30 20 BHED C#CCCCCC(=O)N[C@@H]1CCC[C@H](C(C)C)C1 119807571 HJQKSUYXCPNTCA-LSDHHAIUSA-N 249.398 3.511 30 20 BHED C=C[C@H](C)N[C@@H]1CCCc2ccc(C)cc21 126136286 HNHSECDGEIDMRG-SWLSCSKDSA-N 215.340 3.537 30 20 BHED C=C[C@@H](C)N[C@H]1CCCc2ccc(C)cc21 126136872 HNHSECDGEIDMRG-DOMZBBRYSA-N 215.340 3.537 30 20 BHED N#Cc1ccc(CNc2ccc(Cl)cc2)s1 135512057 KVZIOJFEEABMBW-UHFFFAOYSA-N 248.738 3.885 30 20 BHED C=CCCN[C@@H]1CCSc2c(F)cccc21 168530085 UVYBLVVJVWTDNZ-GFCCVEGCSA-N 237.343 3.528 30 20 BHED C=CCCCC(=O)N[C@@H](CCCC)C1CCC1 177126633 KWXGIYHQKVQXAD-AWEZNQCLSA-N 237.387 3.818 30 20 BHED C=C(Br)CSc1ccoc1C 181296885 GBCIYTBKFVSNET-UHFFFAOYSA-N 233.130 3.589 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H]1CCC[C@H](C)C1 182592644 GDJDLDNLFIOQRM-IHRRRGAJSA-N 237.387 3.674 30 20 BHED C#CCCCC(=O)Oc1ccccc1C(C)C 192063549 LCROBSBIGVVOSD-UHFFFAOYSA-N 230.307 3.519 30 20 BHED C=CCSCCN[C@@H](C)c1ccc(C)c(C)c1 221942383 RBHQYMMFEZSVIF-AWEZNQCLSA-N 249.423 3.873 30 20 BHED O=C(/C=C\c1ccsc1)c1ccccc1F 255198755 IRFAFKHDFALESG-WAYWQWQTSA-N 232.279 3.783 30 20 BHED CC(C)(C#N)CCCCN1CCC[C@H]2CCC[C@H]21 300121424 WAWRHHFFJVGOBW-HUUCEWRRSA-N 248.414 3.971 30 20 BHED CN(c1ccc(C#N)cc1)[C@H]1CCc2ccccc21 301085378 KIDDRVOYKQBKJZ-KRWDZBQOSA-N 248.329 3.682 30 20 BHED Cc1cc(C#N)cc(NCCCC(C)(C)C#N)c1 308149046 FBOBIJCAVCROMV-UHFFFAOYSA-N 241.338 3.609 30 20 BHED C=CC[C@@H](CC)N[C@H](C)Cc1cccs1 309094838 DLIUQAOCYDTNRB-VXGBXAGGSA-N 223.385 3.623 30 20 BHED N#CCCCCNCCC1CCCCCC1 309572472 NMAFZDVFADFIOW-UHFFFAOYSA-N 222.376 3.630 30 20 BHED CCCC[C@H](CCC)N[C@@H]1CC[C@H](C#N)C1 309994760 BULARWMSKQIAHS-MELADBBJSA-N 222.376 3.627 30 20 BHED C=CCC[C@H](CC)N[C@H](C)Cc1ccco1 310042268 ZIMZRCWCSANLEY-OLZOCXBDSA-N 221.344 3.545 30 20 BHED CC(C)CC[C@H]1CCCCN1CC1(C#N)CC1 343321220 FMKAKJCOASUEPT-CQSZACIVSA-N 234.387 3.581 30 20 BHED C=CCSCCN[C@@H](CC)c1ccsc1 382115885 LSIJDMYDEWXTQD-LBPRGKRZSA-N 241.425 3.708 30 20 BHED C=CCC[C@H](CCC)N[C@H]1CC[C@@H](F)C1 389857188 BMGYOGBGIQGMSP-AGIUHOORSA-N 213.340 3.602 30 20 BHED C=C(C)CSCc1ccc(C(C)=O)cc1 419411870 CDNUFMRYOSWZGI-UHFFFAOYSA-N 220.337 3.699 30 20 BHED C=CCC1(NCc2cncc(F)c2)CCCCC1 449571206 FBFSMCXJILBGIU-UHFFFAOYSA-N 248.345 3.589 30 20 BHED CCN(CC1(C#N)CCC1)c1ccccc1C 450520888 WBSFWRBAPBYWCC-UHFFFAOYSA-N 228.339 3.515 30 20 BHED C=CCC[C@H](CC)NCCC1CC(F)(F)C1 453426749 OSBMXFAOZGUJMR-LBPRGKRZSA-N 231.330 3.756 30 20 BHED C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 480547720 AVGRHPUKQMUHKP-XJKCOSOUSA-N 249.398 3.674 30 20 BHED C=C(C)CN(CC)[C@H](C)c1ccccc1[N+](=O)[O-] 488611211 QIJFGKSXQOITET-GFCCVEGCSA-N 248.326 3.554 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C1CCCCCC1 488862730 XAGAXWMCKKYXSZ-CQSZACIVSA-N 235.371 3.524 30 20 BHED C=CCC[C@H](CC)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 520290183 WPGYQITZVFERBL-QMCVQRASSA-N 241.378 3.659 30 20 BHED CC[C@H](C)[C@@H](C)NCC#Cc1ccc(Cl)cc1 542542053 MKRJFJDOHFECLK-QWHCGFSZSA-N 249.785 3.716 30 20 BHED C=CCCCCN1CCC(OCCCC)CC1 578954486 BOERJFCAEQDWHD-UHFFFAOYSA-N 239.403 3.624 30 20 BHED C[C@@H](CC#N)c1nc(C2CCC(C)(C)CC2)no1 596597959 CHMCOPKGRGHWNZ-JTQLQIEISA-N 247.342 3.771 30 20 BHED Cc1ccc(-c2nc(C3CC3)cs2)c(C#N)c1 600777466 PYAUBEFRZOCCCW-UHFFFAOYSA-N 240.331 3.868 30 20 BHED C=CCCN1CC[C@@H](c2ccccc2)[C@H](C)C1 607751996 BTVMLKZLAOYXOF-GDBMZVCRSA-N 229.367 3.688 30 20 BHED CC[C@@H](Nc1cccc(F)c1C#N)C(C)(C)C 609233343 VVHFMSSEYPQPLX-CYBMUJFWSA-N 234.318 3.934 30 20 BHED C=CCC[C@@H](NCCCOC(C)(C)C)C1CC1 658187606 XLDNHEHLNITUPY-CQSZACIVSA-N 239.403 3.526 30 20 BHED CCCCNN=C1CCC[C@H]1CCC(C)C 727256310 XJRCJWUDDPFLSO-ZDUSSCGKSA-N 224.392 3.968 30 20 BHED Cc1cccc(C=NOCc2ccccc2)c1C 731151042 HPPRTECKSPPXMQ-UHFFFAOYSA-N 239.318 3.854 30 20 BHED CCCCCCCCN(CC)C[C@H]1CCOC1 740877938 ILVAFQWJBWJFMO-OAHLLOKOSA-N 241.419 3.705 30 20 BHED C=C1CCN(C(=O)C(C)(C)C2CCCCC2)CC1 766800675 HNMLVGORJFRNOQ-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C#CCCCN(Cc1ccccc1)CC(C)C 766894243 BJNDMBVTRPLCPU-UHFFFAOYSA-N 229.367 3.558 30 20 BHED C#CCCCN1CCC[C@@H]1c1ccccc1C 766895452 MLXIKZITRCUFOJ-MRXNPFEDSA-N 227.351 3.545 30 20 BHED CCCC(CC)=NNc1cc(Cl)ccn1 777906203 UMQNWPAGQRRWKT-UHFFFAOYSA-N 225.723 3.713 30 20 BHED CC1=CC(=NNc2ncccc2C)CC(C)(C)C1 790191755 XMGFSMPRVWSADH-UHFFFAOYSA-N 243.354 3.924 30 20 BHED CCCCCCCCCN1CCC(OC)CC1 792196597 OFNLPUJYKHDFIM-UHFFFAOYSA-N 241.419 3.848 30 20 BHED C[C@H]1C[C@H](C)CCC1=NN[C@H](C)C(C)(C)C 793117609 XQDMPBCRLDOUFE-GRYCIOLGSA-N 224.392 3.823 30 20 BHED C[C@H]1CC(=NN[C@H](C)C(C)(C)C)CC[C@H]1C 793117780 YFYQXCXMDRKVMV-GRYCIOLGSA-N 224.392 3.823 30 20 BHED CC[C@@H](C)CON=C1CSCc2ccccc21 793158737 KIUPHJDJIWLGPJ-LLVKDONJSA-N 249.379 3.700 30 20 BHED CC[C@@H](C)NN=C1CCC[C@H](C(C)C)C1 794533837 CFPFJCFVNQWXSP-NEPJUHHUSA-N 210.365 3.577 30 20 BHED CC#CC(=O)Nc1ccc2oc3ccccc3c2c1 801112395 JLCIADIQNFBDNL-UHFFFAOYSA-N 249.269 3.548 30 20 BHED C=CCCCCCCNC(=O)[C@H](C)[C@H](C)CC 805219853 YKRWIROKBHBNHG-ZIAGYGMSSA-N 239.403 3.921 30 20 BHED FC(F)c1ccc(C=NOC/C=C/Cl)cc1 811672406 YDRITGHHYYGYJV-JBNFHMBYSA-N 245.656 3.727 30 20 BHED CC(=NNc1ccccc1F)c1cccs1 812459281 VPASVGJZHQZRCP-UHFFFAOYSA-N 234.299 3.723 30 20 BHED C[C@@H](C=NOCCC1CC1)c1ccc(F)cc1 814245944 OZJXRRAXASGLJY-NSHDSACASA-N 235.302 3.732 30 20 BHED C=C(C)CCN[C@@H](CC)c1ccc(C)cc1O 834882607 MMZKCRICPNRFFV-AWEZNQCLSA-N 233.355 3.708 30 20 BHED CCCCCCCC(=O)NCC1=CCCC1 856096195 RYLZYUZUPADQSD-UHFFFAOYSA-N 223.360 3.573 30 20 BHED Cc1cccc(-c2nc(C3CC3)cs2)c1C#N 863690612 RSPOMCDUBVGSAZ-UHFFFAOYSA-N 240.331 3.868 30 20 BHED C[C@H](C/N=C\c1ccccc1O)c1ccccc1 920943918 DZUFFXWXZUYUDK-KAECEXQPSA-N 239.318 3.615 30 20 BHED N#CCCCSCc1ccc2ncccc2c1 1338919581 OQFIWCSCTPUZDP-UHFFFAOYSA-N 242.347 3.772 30 20 BHED CCSCSc1cccc(F)c1C#N 1346822110 WAHUOMJWNJEJKD-UHFFFAOYSA-N 227.329 3.500 30 20 BHED C[C@@H](CCc1ccco1)Nc1ccc(C#N)cc1 35118388 JTLQEOWUXQNQEL-LBPRGKRZSA-N 240.306 3.584 30 20 BHED Cc1ccc(/C=C/C(=O)c2ccco2)cc1F 118986581 IVIABJPVVFGEEK-VOTSOKGWSA-N 230.238 3.623 30 20 BHED CC[C@@H]1CCCN(Cc2ccc(C#N)s2)CC1 128846048 WUBGLVCPWUKRSY-GFCCVEGCSA-N 248.395 3.632 30 20 BHED CC(C)(C#N)CCNc1c(F)cccc1Cl 160383410 FCSLEJQEDWRPEE-UHFFFAOYSA-N 240.709 3.831 30 20 BHED C#CCCCN(C)[C@H](C)c1ccccc1Cl 161101299 RSURJADVUKLIEK-GFCCVEGCSA-N 235.758 3.746 30 20 BHED CC(C)=CC/N=C(\N)Nc1cccc(C(C)C)c1 191150482 VJXCYASNQIAJJI-UHFFFAOYSA-N 245.370 3.503 30 20 BHED CC(C)C(C)(C)CN[C@H](C)c1cccc(C#N)c1 219274395 DXHMXQLSHCRCSJ-CYBMUJFWSA-N 244.382 3.891 30 20 BHED Clc1ccccc1NN=Cc1cccs1 254397903 KBNIZAWQQIQBJV-UHFFFAOYSA-N 236.727 3.848 30 20 BHED C=CCCC(=O)N(C1CC1)[C@@H](C)c1ccccc1 263684997 PRZGSSKHODPNPG-ZDUSSCGKSA-N 243.350 3.705 30 20 BHED C#CCCCCN[C@H](CC)c1ccc(C)cc1O 280086884 MCCZLIPAPYGFPO-OAHLLOKOSA-N 245.366 3.545 30 20 BHED C#Cc1cccc(N[C@@H](C)[C@H](C)CC=C)c1 309513099 XXFSFFNAHMRPID-OLZOCXBDSA-N 213.324 3.681 30 20 BHED C=C(CC)CN[C@@H](C)c1ccccc1OCC 313537599 OEDKVAHCYBSLSH-ZDUSSCGKSA-N 233.355 3.702 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cc(F)cc(F)c1 424576628 YLAHFVNIXYGFCK-UHFFFAOYSA-N 239.265 3.506 30 20 BHED C[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1 448450509 ARDKMBZOEKRNDR-CYBMUJFWSA-N 247.769 3.566 30 20 BHED CC#CCCN(C)[C@@H](C)c1cc(C)ccc1C 462316713 RTEJUCOKXFNRAZ-HNNXBMFYSA-N 229.367 3.710 30 20 BHED C=CCC[C@@H](C)Nc1ccc2c(C)nn(C)c2c1 462863489 ZYRSWBGJAYMBJA-LLVKDONJSA-N 243.354 3.648 30 20 BHED C=CCC(CC=C)C(=O)N1CCCCC(C)(C)C1 474108724 ZRNORYAFTFAXKZ-UHFFFAOYSA-N 249.398 3.794 30 20 BHED C=C[C@H]1CCCCN1Cc1cc(F)cc(F)c1 489407500 PXEPMDZKBZTFET-AWEZNQCLSA-N 237.293 3.505 30 20 BHED C=CCC(C)(C)C(=O)N[C@H]1CCCC(C)(C)C1 504882594 OHPJDUBOZVIMTI-LBPRGKRZSA-N 237.387 3.674 30 20 BHED CCCC[C@H](N[C@H]1CC[C@H](C#N)C1)C1CCC1 559150365 UKZGKRSTCZFGFF-QEJZJMRPSA-N 234.387 3.627 30 20 BHED CSc1cc(C)ccc1NCC1(CC#N)CC1 594704215 FTEIKQWXXDSEKN-UHFFFAOYSA-N 246.379 3.823 30 20 BHED CSc1cccc(C)c1NCC1(CC#N)CC1 594708448 XOKGPGAHHRGIOB-UHFFFAOYSA-N 246.379 3.823 30 20 BHED C=CCN(C(=O)[C@H]1CCC(C)=C(C)C1)C(C)(C)C 622945757 RRAJVNQPAWZSSC-AWEZNQCLSA-N 249.398 3.936 30 20 BHED C[C@@H]1CCCCC1=NN[C@H]1CCCC1(C)C 782299453 GDHUCPCIIYJCLL-YPMHNXCESA-N 222.376 3.721 30 20 BHED CCCCCCCC(=O)N(C)c1ncccc1C 791892873 FZUDGNSHXQPSQH-UHFFFAOYSA-N 248.370 3.713 30 20 BHED C=C(Cl)CSC[C@@H](OC)c1ccccc1 802752916 WMBNOZBDTWUKMZ-GFCCVEGCSA-N 242.771 3.860 30 20 BHED CCC(Cc1ccc(C)cc1)=NOC1CCC1 812235010 HMNJBHGSFKYGFJ-UHFFFAOYSA-N 231.339 3.873 30 20 BHED CC[C@H](C)CC=NOCc1ccccc1OC 834976371 YGGJHJNMFQISAZ-LBPRGKRZSA-N 235.327 3.634 30 20 BHED C[C@H]1CCCCN1N=C[C@@H](C)C(C)(C)C 853382054 RMNPBPSDXZHUSL-NEPJUHHUSA-N 210.365 3.529 30 20 BHED CCCCCCCCCNC(=O)[C@H](C)SC 915295340 UZOCFLYSXBVTKN-LBPRGKRZSA-N 245.432 3.605 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1cscc1C 935023501 KYRUKZMIAYZPCQ-JTQLQIEISA-N 223.341 3.597 30 20 BHED Cc1cccc(Nc2nc(C#N)c(Cl)s2)c1 1611728091 GUKDCWFHAMCMSM-UHFFFAOYSA-N 249.726 3.720 30 20 BHED CCCC[C@@H](CC)CNc1cc(C)c(C#N)cn1 1639242804 YUEIHQCGNSEVOI-CYBMUJFWSA-N 245.370 3.890 30 20 BHED C[C@H](CCC(C)(C)C)Nc1ncc(C#N)cc1F 1651541517 CDCVIGCQLNKKCX-SNVBAGLBSA-N 249.333 3.719 30 20 BHED C=CCN1CCC[C@@H]1c1ccccc1Cl 52210570 CLIDOTUSTIZCMF-CYBMUJFWSA-N 221.731 3.663 30 20 BHED Cc1cc(C)cc(NCCC(C)(C)C#N)c1 83637888 HBVLEHXAVGYBEH-UHFFFAOYSA-N 216.328 3.655 30 20 BHED CCc1cccc2c1N(CCCCC#N)CCC2 114186255 YBHDHPRBHLUCAG-UHFFFAOYSA-N 242.366 3.695 30 20 BHED CC[C@@H](C#N)Sc1ccnc2ccccc12 127635950 IGFOJGMXDRDWMP-JTQLQIEISA-N 228.320 3.629 30 20 BHED C=CCC[C@H](C)NCCc1ccc(F)cc1C 130580693 ZNROEXVMNVLCFF-ZDUSSCGKSA-N 235.346 3.621 30 20 BHED C=C(CN[C@H](C)C1CCCC1)c1ccccc1 134370125 TUZQSOVKUPNSTL-CQSZACIVSA-N 229.367 3.868 30 20 BHED CC[C@H](C)C[C@@H](C)NCc1ccc(C#N)s1 135502089 ZCVYWHZCHWZJLS-WDEREUQCSA-N 236.384 3.534 30 20 BHED C#CCCCN[C@H](CCC)c1ccccc1 178052490 RJBFLNNDFBBEIL-OAHLLOKOSA-N 215.340 3.531 30 20 BHED CC[C@H]1CCCC[C@@H]1NCC(C)(C)CCC#N 229680846 GVSQDNWWEUGVEX-KBPBESRZSA-N 236.403 3.875 30 20 BHED C[C@H]1CC(NCC(C)(C)CCC#N)C[C@H](C)C1 229696716 WCQZCYRPZDGJKJ-CHWSQXEVSA-N 236.403 3.731 30 20 BHED CC(C)(C#N)CCCCSC[C@@H]1CCCO1 232523589 KFCPFJVMYUVVTM-LBPRGKRZSA-N 241.400 3.619 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc(C)c(C)c1O 273351778 BWOVKEWHSPSEIC-AAEUAGOBSA-N 233.355 3.624 30 20 BHED C=CCN(Cc1ccccc1)C(=O)/C=C(\C)CC 294528882 WZAFZHGPIPZGTF-WYMLVPIESA-N 243.350 3.558 30 20 BHED C=C(Cl)COc1cc(C)ccc1Cl 301605460 MIVTVIKSDDEERP-UHFFFAOYSA-N 217.095 3.780 30 20 BHED C=CCCSCc1cccnc1Cl 308158339 CHNRDHMPHAGTMI-UHFFFAOYSA-N 213.733 3.544 30 20 BHED C=C(Cl)CN[C@H](CCC)c1ccsc1 308715228 AWSVOEMZCGLMEV-LLVKDONJSA-N 229.776 3.931 30 20 BHED C=CC[C@@H](C)Nc1nc2cc(C)ccc2o1 309811597 ZEZPPQBLYIFDHM-SNVBAGLBSA-N 216.284 3.513 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)c1cn(C)nc1C 359351949 ZADITXDGMMKHCQ-OLZOCXBDSA-N 249.402 3.514 30 20 BHED C=CCCC[C@H](C)N[C@@H]1CS[C@H](C(C)C)C1 381224809 JNVIJJSIBFGPNH-IHRRRGAJSA-N 241.444 3.851 30 20 BHED C=CCC[C@@H](C)N[C@@H]1CSc2ccccc21 390614412 GHYGICWERDREOE-DGCLKSJQSA-N 233.380 3.778 30 20 BHED CCC[C@@H]1CCC[C@H]1NCc1ccc(C#N)s1 421881848 PHPUUYXDGWEQOO-BXUZGUMPSA-N 248.395 3.678 30 20 BHED C=CCCCC[C@@H](C)NCc1cncc(C)c1 449213511 WNMJMQJUANTUAF-CQSZACIVSA-N 232.371 3.615 30 20 BHED C=C(C)CCN[C@@H](C)CCc1ccc(F)cc1 449475939 MAGFUBISQPSGNJ-ZDUSSCGKSA-N 235.346 3.703 30 20 BHED CCCOc1ccc(OCC2(C#N)CCC2)cc1 450584702 UZSXPNVIOCPGNK-UHFFFAOYSA-N 245.322 3.548 30 20 BHED C=CCOc1ccc(OCCC(F)(F)F)cc1 462683507 UEWYOMOIJZFIFV-UHFFFAOYSA-N 246.228 3.583 30 20 BHED C=CCN(CC=C)C[C@H]1CCC2(CCCCC2)O1 467201985 PLRMHCDIUBRSTF-OAHLLOKOSA-N 249.398 3.542 30 20 BHED C=CCCCCCN1CCn2cccc2[C@@H]1C 486800849 KMGPPDIONQPPTG-AWEZNQCLSA-N 232.371 3.611 30 20 BHED C=C(C)CCc1noc(-c2cc(C)ccc2F)n1 508630793 HHQOREJSUIFHTO-UHFFFAOYSA-N 246.285 3.693 30 20 BHED C=CCC(C)(C)CN[C@H]1CS[C@@H](C(C)C)C1 517765815 JHWWNLQFTJTCRX-CHWSQXEVSA-N 241.444 3.708 30 20 BHED C=CCC[C@H](C)N[C@H]1CCO[C@@H](CC(C)C)C1 541772161 UPVQJKGRLSOMQW-KKUMJFAQSA-N 239.403 3.524 30 20 BHED C=CCC[C@@H](C)NCC(C)(C)Oc1ccccc1 544568544 JRDUZUOPOJLTJO-CQSZACIVSA-N 247.382 3.788 30 20 BHED C=CCCOc1ccc(/C=C/C)cc1OC 549935295 YNBZKRACBQPMQG-FNORWQNLSA-N 218.296 3.683 30 20 BHED C=CCCc1ccccc1NCCC1(O)CCC1 578027168 QMSKLCYAVLETMA-UHFFFAOYSA-N 245.366 3.522 30 20 BHED C=C(C)CCc1noc([C@H](C)CCCC)n1 578937794 MJDKPHMBPYGOBF-LLVKDONJSA-N 222.332 3.872 30 20 BHED Cc1cc(C)c(/C=C/CNCCCC#N)cc1C 601112805 FXKYTARLUSWQGA-VOTSOKGWSA-N 242.366 3.518 30 20 BHED CCOc1cc(NC[C@@H](C)CCC#N)ccc1C 602493590 CHBFBPOVVUHGED-LBPRGKRZSA-N 246.354 3.746 30 20 BHED Cc1ccc2ccccc2c1CN[C@@H](C)CC#N 602863030 NAVNCFNUKVTRCN-ZDUSSCGKSA-N 238.334 3.540 30 20 BHED CC(=NNc1ccc(Cl)cc1)c1ccncc1 606346860 IPSWVQZNJAEOMA-UHFFFAOYSA-N 245.713 3.571 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H]1CCCC[C@@H]1C 620864832 QBASQZHMSVZVDA-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=CC[C@H](C)[C@H](C)NC1CC2(CCC2)C1 652051500 HMIDTHLMAIREBN-RYUDHWBXSA-N 207.361 3.509 30 20 BHED CCC#C[C@H](C)Sc1ccccc1OC 677132846 UWPUWPPAYIKPRP-NSHDSACASA-N 220.337 3.589 30 20 BHED C[C@H]1CCCC1=NNc1cc(F)c(F)cc1F 734302473 FJVGQDVLGBJIKJ-ZETCQYMHSA-N 242.244 3.692 30 20 BHED C=CCCCOC(=O)[C@H](C)c1cccc(C)c1 740354981 XZJFCZLBTBKMRC-CYBMUJFWSA-N 232.323 3.608 30 20 BHED Fc1ccc2c(c1)C(=NNc1ccccc1)CC2 748778464 LPIJGIKKLUOJCR-UHFFFAOYSA-N 240.281 3.588 30 20 BHED C#CCCN1CCCCC[C@@H]1c1ccc(C)o1 752855319 IZLJMKVCEFTIEM-CQSZACIVSA-N 231.339 3.528 30 20 BHED C#C[C@@H](CC)NC(=O)[C@H](CC)CC1CCCCC1 754389090 UPPMRKTVVYTZQY-CABCVRRESA-N 249.398 3.511 30 20 BHED C=C[C@@H](C)NC(=O)Nc1ccc2ccccc2c1 757179814 LUZGXBCVPOTXBL-LLVKDONJSA-N 240.306 3.536 30 20 BHED CCCCCCCCC(=O)NC1(C2CC2)CC1 760847408 PFUZJNICGSQSKT-UHFFFAOYSA-N 237.387 3.796 30 20 BHED C#CCC(C)(C)C(=O)O[C@@H](CC)c1ccccc1 767121289 CWGFHSOYHFPHGK-AWEZNQCLSA-N 244.334 3.730 30 20 BHED CCCCCCCC(=O)OCc1ccc(C)nc1 772674447 XQVQNEKEZWTCQK-UHFFFAOYSA-N 249.354 3.794 30 20 BHED CC(C[C@@H](C)CC(C)C)=NOC1CCOCC1 774432112 AMAKYGBTRBXNDE-LBPRGKRZSA-N 241.375 3.630 30 20 BHED C=CCCCCCOC(=O)[C@H]1CC=CCC1 782222332 WKDHZZRGEUBBFV-ZDUSSCGKSA-N 222.328 3.632 30 20 BHED C[C@H](NN=C1CCCCC1(C)C)C(C)(C)C 793115817 PDICIVNRGACPAF-NSHDSACASA-N 224.392 3.967 30 20 BHED CC(C)O[C@H](C=NOCC1CC1)c1ccccc1 814243358 ROUVANBSKFKTSW-OAHLLOKOSA-N 247.338 3.565 30 20 BHED CSCCCC=NNc1ccc(F)cc1C 814884877 CEPNOGMHNJDALR-UHFFFAOYSA-N 240.347 3.675 30 20 BHED CCCCCCCCCC(=O)NCC(C)(F)F 818252448 PIVROJDMZAKWKU-UHFFFAOYSA-N 249.345 3.899 30 20 BHED CCCCCCNC1CCC(C)(C#N)CC1 823584211 FXKYWQXKJMOJIT-UHFFFAOYSA-N 222.376 3.629 30 20 BHED Cc1nc(S[C@@H]2CC[C@H](C#N)C2)sc1C 829227383 NCIXVNWQJUHXFK-VHSXEESVSA-N 238.381 3.544 30 20 BHED C#CCCCN(C)[C@@H]1CCC[C@H]1c1ccccc1 839172058 BHLQVSXNAJYPCM-DLBZAZTESA-N 241.378 3.668 30 20 BHED N#C[C@H](OC(=O)CCC1CCCCCC1)C1CC1 847655180 ZAHQWXOXEJWDEN-AWEZNQCLSA-N 249.354 3.582 30 20 BHED C#CC1CCC(=NNc2ccc(C)cc2)CC1 853255739 KQAOUFVMZDKRSU-UHFFFAOYSA-N 226.323 3.586 30 20 BHED CC[C@H](C)C(C)=NNc1ccc(Cl)cn1 853437834 JHHOFPFSGNXFQF-QMMMGPOBSA-N 225.723 3.569 30 20 BHED CCCCCCCC(=O)NCCC(C)(C)F 855746382 AHWZCVXANWSGMG-UHFFFAOYSA-N 231.355 3.601 30 20 BHED C=CC(C)(C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 880781306 UJBRXAHKAPYOHK-KBPBESRZSA-N 249.398 3.770 30 20 BHED CC(=NNc1cccc(C)c1)c1cccs1 916256332 VSQSINOHSKPJHU-UHFFFAOYSA-N 230.336 3.893 30 20 BHED CC[C@@H](C#N)S[C@@H]1CCOc2ccccc21 1559385478 NAZXYLRTTWNJBA-GXFFZTMASA-N 233.336 3.546 30 20 BHED C[C@H](S)CCc1ccc(OC(F)F)cc1 20476577 CKMDNIZFBBWOBL-QMMMGPOBSA-N 232.295 3.539 30 20 BHED CC(C)CN(Cc1ccc(C#N)cc1)CC(C)C 41636055 MFVSUANQERPSLC-UHFFFAOYSA-N 244.382 3.672 30 20 BHED C=CCN(C(=O)c1ccccc1)c1ccccc1 60524820 VTZIMSJTCWSECN-UHFFFAOYSA-N 237.302 3.519 30 20 BHED C=CCCCN1CCC[C@H]1c1ccsc1 117873270 AHKLXZZTCXBYQD-ZDUSSCGKSA-N 221.369 3.851 30 20 BHED C=CCC(CC=C)C(=O)Nc1ccccc1F 120900193 GKEOFAPJNNGVSZ-UHFFFAOYSA-N 233.286 3.533 30 20 BHED C=CCC[C@@H](NC[C@H]1CC=CCC1)C1CC1 125301955 FOTQHWDKOIYBFQ-DZGCQCFKSA-N 219.372 3.677 30 20 BHED N#Cc1c(-c2ccccc2)oc2ccccc12 137290719 CJMQMMJYJMICQV-UHFFFAOYSA-N 219.243 3.971 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 163312734 YKTLBKHJKPRCQI-VXGBXAGGSA-N 248.326 3.518 30 20 BHED CC(C)OCCS[C@H](C)c1cccc(C#N)c1 190795768 DBVCWBSFYDKTPX-GFCCVEGCSA-N 249.379 3.777 30 20 BHED Cc1nc(Cl)ccc1N[C@H]1CCC[C@H](C#N)C1 193479797 AWINNGUDUGKZCQ-QWRGUYRKSA-N 249.745 3.538 30 20 BHED N#Cc1ccc(/C=C/c2sccc2Cl)nc1 195336672 FGTMLSRRRHNMDA-ONEGZZNKSA-N 246.722 3.839 30 20 BHED C=C(C)CN(C)[C@H](CC)c1ccc(F)cc1 195732454 NOESFEGYNHLUJV-CQSZACIVSA-N 221.319 3.785 30 20 BHED N#Cc1cccc(Cl)c1N[C@H]1CC=CCC1 301397472 NWFPDNVJCNIKGF-NSHDSACASA-N 232.714 3.732 30 20 BHED C=CCN(CC(=C)C)CC1CCCCC1 303432220 FADFVHLJNDMJTI-UHFFFAOYSA-N 207.361 3.631 30 20 BHED C=C(C)CN1C[C@H](c2ccc(F)cc2)C[C@@H]1C 303905142 TVFBMUXOTKEKPU-GXTWGEPZSA-N 233.330 3.580 30 20 BHED Cc1cc(N=C(O)c2ccc(C(C)C)s2)n[nH]1 330919283 YIQMWIGEUKWOAJ-UHFFFAOYSA-N 249.339 3.539 30 20 BHED N#Cc1ccc(NCc2ccc3occc3c2)cc1 351569165 QGCLVMAYEKSPKE-UHFFFAOYSA-N 248.285 3.917 30 20 BHED C=C(C)CCN[C@H]1C[C@H](C)c2ccccc21 386712636 PVFXCEWNVXUSTB-WFASDCNBSA-N 215.340 3.791 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 431247483 NWNDIFXRTPQSTO-FRRDWIJNSA-N 237.387 3.530 30 20 BHED CCCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 464820851 GMRBPHHYFZCQBY-HOTGVXAUSA-N 242.366 3.558 30 20 BHED C=C(C)COc1ccccc1OC(F)(F)F 466373846 NZPRVZTWDXJOON-UHFFFAOYSA-N 232.201 3.540 30 20 BHED Cc1ccc(/C=C\c2ccncc2C#N)cc1C 470289985 ORFLJDYJNVDKLF-WAYWQWQTSA-N 234.302 3.741 30 20 BHED C=CC[C@@H](C)N[C@@H](C)C(C)(C)c1ccccc1 537969826 UCCVJBWILGUJSS-KGLIPLIRSA-N 231.383 3.907 30 20 BHED CCOc1ccc(C#N)cc1N[C@@H]1CCC[C@H]1C 543624415 NVPZNJYKHIKWKV-DGCLKSJQSA-N 244.338 3.557 30 20 BHED C=CCCC[C@H](C)NC(=O)NC(C)(C)CCC 553706310 LQRJEPIXRVNQJO-LBPRGKRZSA-N 240.391 3.609 30 20 BHED C=C(C)CCOc1ccc(F)c2c1C(=O)C[C@@H]2C 556781906 GLCXMGCCBKQAJY-JTQLQIEISA-N 248.297 3.861 30 20 BHED C=CCCCCCn1cnc(-c2ccccc2)n1 561706886 JZIWGXGJMOUHJC-UHFFFAOYSA-N 241.338 3.692 30 20 BHED C[C@]1(C#N)CCCN([C@@H]2C=CCCCCC2)C1 590173236 SWFJEMFWRAVSRG-HUUCEWRRSA-N 232.371 3.501 30 20 BHED CCSc1ccccc1OCC1(CC#N)CC1 596263063 DGUNKSIIAMHPNR-UHFFFAOYSA-N 247.363 3.871 30 20 BHED C[C@H](CCC#N)CN1CC[C@H]1c1cccc(F)c1 602485011 MBZKOXVJIKXLDX-DOMZBBRYSA-N 246.329 3.512 30 20 BHED C=C(C)CSc1ccc(Cl)cc1C#N 610654749 WRQWJSXLXZDQFS-UHFFFAOYSA-N 223.728 3.880 30 20 BHED C=CCCN[C@H](C)c1sc(C(C)C)nc1C 658116665 MWKVWSDLRPYGQH-SNVBAGLBSA-N 238.400 3.802 30 20 BHED CCCC(=NNc1ncccn1)C1CCCCC1 727778402 GVRBYSGTFNLGHN-UHFFFAOYSA-N 246.358 3.625 30 20 BHED Cc1cc(C)cc(OCCCON=C2CCC2)c1 735489758 FDXGHBNRHAMHPH-UHFFFAOYSA-N 247.338 3.629 30 20 BHED C#CCN(C)[C@@H](C)c1cc(Cl)ccc1Cl 746126247 XXOCQSYJXZNGOL-VIFPVBQESA-N 242.149 3.619 30 20 BHED Cn1ccc(C=NNc2cccc3ccccc23)c1 749855817 VVMAZACUGAPEDU-UHFFFAOYSA-N 249.317 3.624 30 20 BHED C#Cc1cccc(N[C@@H]2CS[C@H](C(C)C)C2)c1 754151115 XBRSWAHGYDHPNH-GJZGRUSLSA-N 245.391 3.610 30 20 BHED CCC(C[C@H](C)CC)=NOCC(F)(F)F 764847213 USKRYMUAWUNVFA-MRVPVSSYSA-N 225.254 3.768 30 20 BHED CCCCCCCN1CCC(C(F)F)CC1 766188201 BJNFYIWABSCLOT-UHFFFAOYSA-N 233.346 3.934 30 20 BHED C=CCOc1ccc(OC(=O)/C(=C\C)CC)cc1 789385929 AYTXFAKZBPETDJ-XGICHPGQSA-N 246.306 3.513 30 20 BHED Cc1oc2ccccc2c1C=NOC/C=C/Cl 811668667 IXZCRSLEVUGCJY-ZJPUZTQDSA-N 249.697 3.844 30 20 BHED Cl/C=C/CON=CCc1cccc(Cl)c1 811672093 POIGGYHHMRZVGN-MQBQCCEHSA-N 244.121 3.637 30 20 BHED CC[C@@H]1CC[C@@H](C)CC1=NOC1CCC1 812235335 SLWZYGQFKHWMGD-GHMZBOCLSA-N 209.333 3.758 30 20 BHED C(=NOCC1CC1)c1cccc2ccccc12 814243792 NTUASWPIYJEXRY-UHFFFAOYSA-N 225.291 3.600 30 20 BHED C[C@H](C=NO[C@@H]1CCCCO1)C1CCCCC1 814886660 CAZYFNQBRZUYFL-TZMCWYRMSA-N 239.359 3.732 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@@H](CC)CCC)C1 824437896 DRSSHCQJSXRCTF-KGLIPLIRSA-N 237.387 3.627 30 20 BHED CC(C)ON=C1CC[C@H](c2ccccc2)C1 835002622 QOTWWQAIFZMVCT-ZDUSSCGKSA-N 217.312 3.735 30 20 BHED CCCCCCCn1nc(C2CCC2)nc1C 842035375 MHQCJTRSJNHHTF-UHFFFAOYSA-N 235.375 3.824 30 20 BHED C#CCCCCCCNc1ccc(CC#N)cc1 877343350 KZOIUHZNEZOSGS-UHFFFAOYSA-N 240.350 3.748 30 20 BHED CC(C)C#CC(=O)Nc1ccccc1C(C)(C)C 913741218 JNRIPOPONWMXOH-UHFFFAOYSA-N 243.350 3.582 30 20 BHED Cc1ccc(COc2ccc(C#N)c(C)c2)cc1 1651955541 FFAZNFALFFNBFL-UHFFFAOYSA-N 237.302 3.754 30 20 BHED Cc1csc(SCc2cccc(C#N)c2)n1 19847682 CCHGRCXVURAUGL-UHFFFAOYSA-N 246.360 3.616 30 20 BHED CCCN(CC#N)Cc1ccc(C(C)(C)C)cc1 44373600 WQCZVBTVGJJHAB-UHFFFAOYSA-N 244.382 3.720 30 20 BHED CN(CCCC#N)Cc1ccc(C(C)(C)C)cc1 52922912 XATSBOQPOOXJMP-UHFFFAOYSA-N 244.382 3.720 30 20 BHED Cc1cc(SCCCC#N)nc2ccccc12 57745514 IYQQAGJCRUBUJA-UHFFFAOYSA-N 242.347 3.939 30 20 BHED C[C@H](NCC1(CC#N)CC1)c1ccc(Cl)cc1 88249756 XUFQFYNSXALXJM-NSHDSACASA-N 248.757 3.684 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccccc1Cl 116907853 SZWBEYKPGXMGLW-QWRGUYRKSA-N 223.747 3.955 30 20 BHED C=CCCC(=O)Nc1ccc(OC(C)(C)C)cc1 132767366 WOALTANXSKKSOU-UHFFFAOYSA-N 247.338 3.769 30 20 BHED CC(C)(C)CCCNCC(C)(C)CCC#N 164638525 FMXZROZKHMEALE-UHFFFAOYSA-N 224.392 3.732 30 20 BHED N#CCCCCNC1(c2cccc(Cl)c2)CC1 179672983 AUENBPCIRQIUMU-UHFFFAOYSA-N 248.757 3.613 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C/c1cccs1 182588247 BXCBJKIZFUNGKU-VMPCVLLUSA-N 249.379 3.622 30 20 BHED C=C(CN[C@@H](C)c1ccc(C)o1)c1ccccc1 211887628 HRJPUDMNTHWEGO-AWEZNQCLSA-N 241.334 3.952 30 20 BHED C=CCCN(C)[C@@H](C)c1ncc(C(C)(C)C)o1 276491000 USFWQGABQMMDMZ-NSHDSACASA-N 236.359 3.541 30 20 BHED Cc1cc(OCCCC(C)(C)C#N)ccc1C#N 277538932 PPJODFOSBICHPD-UHFFFAOYSA-N 242.322 3.575 30 20 BHED N#C[C@H]1CC[C@@H](Sc2cccs2)C1 278667435 XOZNBPYCOYJUGT-DTWKUNHWSA-N 209.339 3.532 30 20 BHED CCc1ccc(Nc2ccnc(C#N)c2)cc1C 302323595 QJUPGNTUKUJABC-UHFFFAOYSA-N 237.306 3.568 30 20 BHED C=CC[C@H](CC)NC/C=C\c1ccccc1 309501379 ZUAOURSWIMWIOM-PINLSGDHSA-N 215.340 3.644 30 20 BHED C=CCCCNc1ccc(-c2cncnc2)cc1 354340167 PNQWQFVKWBMUEL-UHFFFAOYSA-N 239.322 3.522 30 20 BHED CC[C@@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 360816265 AEONCMYUUYMBBM-MLGOLLRUSA-N 242.366 3.714 30 20 BHED CCCCC[C@H](N[C@H](C#N)CC)C(C)(C)C 381592187 JXGZZEQRSXGSAX-STQMWFEESA-N 224.392 3.873 30 20 BHED CC[C@@H]1CCC[C@H]1NCCCCC(C)(C)C#N 388903513 NTLQVSAXCWAWAD-ZIAGYGMSSA-N 236.403 3.875 30 20 BHED C=C[C@H](C)NCc1ccc(F)c(Cl)c1Cl 389593548 NSRNKKIYRJNZJE-ZETCQYMHSA-N 248.128 3.797 30 20 BHED C=C(C)CNCc1c(Cl)cccc1CC 389833336 BUOQBBAQGMMZGN-UHFFFAOYSA-N 223.747 3.568 30 20 BHED N#CCCS[C@H]1CCc2ccc(Cl)cc21 413010560 GYEXCEPABAUFJX-LBPRGKRZSA-N 237.755 3.974 30 20 BHED C[C@@H]1CC[C@@H](C)[C@H](NCc2ccc(C#N)s2)C1 421348104 DYFKLGOAKKQRMG-JTNHKYCSSA-N 248.395 3.534 30 20 BHED N#Cc1ccc(SC2CCC2)c(Cl)c1 430978103 HTEFWIAMKHZNFZ-UHFFFAOYSA-N 223.728 3.856 30 20 BHED N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 471591778 ZYSGJLNPZVNSDK-DGADGQDISA-N 246.398 3.627 30 20 BHED CC#CCCN[C@H](CCC)CCc1ccccc1 482157247 NNWNZJQWRUVKRS-QGZVFWFLSA-N 243.394 3.791 30 20 BHED C=C[C@@H]1CCCCN1c1ccnc2ccsc12 486469606 UXYKXRROLKPLEN-LLVKDONJSA-N 244.363 3.841 30 20 BHED C=C[C@H]1CCCCN1Cc1cccc(C)c1 489428310 DNSYRWGNAVZAEX-HNNXBMFYSA-N 215.340 3.536 30 20 BHED C=C(C)CN[C@@H]1CCC[C@H]1Cc1ccccc1 493442787 OXAIDISIUYJSBX-JKSUJKDBSA-N 229.367 3.564 30 20 BHED C=C(C)CN(CC)Cc1coc2ccccc12 505903667 UOGWFLGKRSLZOR-UHFFFAOYSA-N 229.323 3.831 30 20 BHED C=C(CC)CN(Cc1ccc(F)cc1)C1CC1 539094746 GVLXPDQHDKMBRD-UHFFFAOYSA-N 233.330 3.756 30 20 BHED C[C@@H](CN(C)CCCCC#N)C1CCCCC1 599633517 UQFRGIXRJNUWRV-AWEZNQCLSA-N 236.403 3.828 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H]1CCCC[C@@H]1C 620864833 QBASQZHMSVZVDA-STQMWFEESA-N 237.387 3.674 30 20 BHED C[C@H](CC(C)(C)C#N)NC[C@H]1CCCC1(C)C 695857507 DHDMXCJPAFNHMC-CHWSQXEVSA-N 236.403 3.731 30 20 BHED CCCC(=NOC)c1cccc(C(F)(F)F)c1 726420038 INLZVZGFTMZKQI-UHFFFAOYSA-N 245.244 3.856 30 20 BHED CC(CC1CC1)=NNc1cc(F)c(F)c(F)c1 756829291 MXFTWVCPAUZMNK-UHFFFAOYSA-N 242.244 3.692 30 20 BHED CC(=NNc1cc(C)ccc1F)c1ccoc1 759665961 SOKMBHRUHRINMO-UHFFFAOYSA-N 232.258 3.563 30 20 BHED C#CCCCN[C@H](Cc1ccc(C)cc1)C(C)C 766234533 WYIKVMMAELWMHK-QGZVFWFLSA-N 243.394 3.565 30 20 BHED C(=NOC1CCCC1)c1cccc2cccnc12 774604440 XRPAKMPPULHGTA-UHFFFAOYSA-N 240.306 3.528 30 20 BHED CC(/C=C/C(=O)c1ccncc1)=C\c1ccccc1 776188462 RPOLVDPRGJHCDF-SCCLZRITSA-N 249.313 3.924 30 20 BHED CC[C@H](C)CON=C(C)c1ccsc1 793160915 XTYLUDIQXRSVCC-VIFPVBQESA-N 211.330 3.535 30 20 BHED CC[C@@H](C)CON=Cc1c[nH]c2ccccc12 793162682 BNGUZGYFNAHWAG-LLVKDONJSA-N 230.311 3.565 30 20 BHED C=CCCCCC[C@H](C)NCc1cc(C)no1 793528594 SINBDZNHZOUWNF-LBPRGKRZSA-N 236.359 3.598 30 20 BHED CC(C)=CCC[C@H](C)CC=NNc1ccncn1 835003611 ZBEHOEWXEYSLHM-ZDUSSCGKSA-N 246.358 3.647 30 20 BHED CCC(=NNc1cc(Cl)ccn1)[C@@H]1C[C@@H]1C 841632166 BYERVHVGZOBLOF-WCBMZHEXSA-N 237.734 3.569 30 20 BHED C=CC(C)(C)CCOC(=O)CCCCCC#N 851299884 COQHUSSUJMHHAG-UHFFFAOYSA-N 237.343 3.606 30 20 BHED C1CC(=C2CCC(=NOCC3CC3)CC2)C1 853351836 WPNGEZHALCFHOM-UHFFFAOYSA-N 219.328 3.824 30 20 BHED CCC(C)=NNc1ccc(F)c(Cl)c1 863180534 POYOCZWVZCWVTL-UHFFFAOYSA-N 214.671 3.677 30 20 BHED CC(C)(C)SCSc1cc(C#N)ccn1 871648355 KDJDFBHUBKRXQY-UHFFFAOYSA-N 238.381 3.535 30 20 BHED C=CC(C)(C)CC(=O)N(CC1CCC1)C(C)C 879783155 OSFSXPLPSCBHKV-UHFFFAOYSA-N 237.387 3.626 30 20 BHED CCCCCCCSc1nnc(CC)o1 882328392 GZDINUSDQLRJHL-UHFFFAOYSA-N 228.361 3.695 30 20 BHED Clc1cccc(NN=Cc2cccs2)c1 916269460 QASDSBDBZVZMDO-UHFFFAOYSA-N 236.727 3.848 30 20 BHED C[C@@H](c1ccccc1Cl)N1CCC[C@H](C#N)C1 932159075 UHXGNHQDESLOCR-NWDGAFQWSA-N 248.757 3.637 30 20 BHED C=C[C@H](Cc1nnc(C(C)C)o1)c1ccccc1 1117186825 JDZMPECCNGRQPY-GFCCVEGCSA-N 242.322 3.705 30 20 BHED Cc1cccc2[nH]c(C=NOC(C)(C)C)cc12 1330649453 TUWOVMNDMHRSGW-UHFFFAOYSA-N 230.311 3.625 30 20 BHED Oc1ccc(Cl)cc1/C=N/[C@H]1C=CCCC1 1332223932 OJZBZUDNSDRTBG-DGGAMASNSA-N 235.714 3.573 30 20 BHED C=CCC(CC=C)c1nnc([C@H](C)CC)o1 1341539780 YURDTCIBZNEARW-SNVBAGLBSA-N 220.316 3.819 30 20 BHED CCCN(CC1CCCCC1)[C@@H]1CC[C@H](C#N)C1 1459346898 GENXGSREIDHOKJ-JKSUJKDBSA-N 248.414 3.971 30 20 BHED N#C[C@H]1CC[C@@H](N[C@H]2CCCCC23CCCC3)C1 1560897980 TXSRFUVFKVYFMV-ZNMIVQPWSA-N 246.398 3.771 30 20 BHED C[C@@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 1665827595 XXACDUWUWUNUDD-JMSVASOKSA-N 246.329 3.559 30 20 BHED N#Cc1ccc(NC[C@H]2CC=CCC2)cc1Cl 37393166 CMCAQKHVHFUGFW-NSHDSACASA-N 246.741 3.980 30 20 BHED CC(C)CN(Cc1cc(C#N)ccc1F)C(C)C 47833917 KBNRYNRCLZOFEA-UHFFFAOYSA-N 248.345 3.564 30 20 BHED CCC1(CC)CCN(CCCC(C)(C)C#N)C1 94802943 OVJBXRHKVBEBOH-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C#CCCCCC(=O)NC1CCC(C(C)C)CC1 120016680 DFCLAFPGPJBCEU-UHFFFAOYSA-N 249.398 3.511 30 20 BHED CC[C@H](c1ccc(F)cc1)N(CC)CCC#N 123312465 GBCJECSNQDUBDN-CQSZACIVSA-N 234.318 3.512 30 20 BHED C=CCC[C@H](C)NCc1ccc(C)c(F)c1 134911595 GXXWSGYQGRCRDG-LBPRGKRZSA-N 221.319 3.578 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@@H]2CCC[C@H]21 150919505 GQDPXSOESBWNJM-DZGCQCFKSA-N 247.382 3.546 30 20 BHED CCCCCCCC(=O)N[C@H]1C=CCCC1 157740665 RDPMRGJFISJWGF-ZDUSSCGKSA-N 223.360 3.572 30 20 BHED C=CCCN[C@@H](C)c1ccc(CC)s1 168568503 JSSLXGVJMGOHFM-JTQLQIEISA-N 209.358 3.537 30 20 BHED C=CCN(CCCF)Cc1ccc(Cl)s1 178256803 OGQAMAUQDNSAHF-UHFFFAOYSA-N 247.766 3.749 30 20 BHED C=CCC(CC=C)C(=O)Nc1cccc(C)c1F 181788718 NSMDSNJTJSLLHB-UHFFFAOYSA-N 247.313 3.841 30 20 BHED C=CCN[C@H](C)c1oc2ccc(OC)cc2c1C 184331996 DCRFGIPCEPLSKF-LLVKDONJSA-N 245.322 3.586 30 20 BHED C#CCCCN[C@@H](C)c1cc2c(s1)CCCC2 224304738 UBOOQLHGLNAYRA-LBPRGKRZSA-N 247.407 3.691 30 20 BHED C=CCC(CC=C)C(=O)N(CC(C)C)C(C)C 268151068 FGYQKOGWMLFPNG-UHFFFAOYSA-N 237.387 3.648 30 20 BHED C=CCCN(C)C(=O)Nc1c(C)cccc1CC 276303813 MBXIBNNCZBQPDO-UHFFFAOYSA-N 246.354 3.597 30 20 BHED C[C@H](CCC#N)SCc1c(F)cccc1F 289303000 BSZMLKFMVWKNOS-SECBINFHSA-N 241.306 3.890 30 20 BHED CCC[C@H](C)CC(=O)Nc1ccc(CC#N)cc1 299473707 CRPIPLOUHAMLDR-LBPRGKRZSA-N 244.338 3.517 30 20 BHED C=C(C)CN1CCS[C@@H](C)[C@H]1c1ccccc1 303689527 LOCLJCKSEHVFKD-ZFWWWQNUSA-N 247.407 3.741 30 20 BHED C/C(=C\Cl)CS[C@H](C)CCC#N 308064354 XXQSQTBCSLKXPX-BNICOGTQSA-N 203.738 3.554 30 20 BHED C=CCCN[C@@H](CCC)c1ccc(F)cc1F 338569759 WEQMRNWBVDBMHB-AWEZNQCLSA-N 239.309 3.972 30 20 BHED CC(C)(C#N)CCN1CCCC2(CCCC2)C1 347177425 XFVPEJWGMBBJMD-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1ccc(C)cc1O 380992533 FMHGDTSQCZYSLY-CYBMUJFWSA-N 247.382 3.954 30 20 BHED C=C(C)CN[C@@H](C)c1cccc(C2CC2)c1 382389945 LTVIFAXAUTZZDH-LBPRGKRZSA-N 215.340 3.791 30 20 BHED C=CCC(C)(C)C(=O)NCCC1CCCCC1 429914088 MUHYLIYDLWGIAM-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCCCC[C@@H](C)NCC(C)(C)C[C@H](C)O 449161350 OPXGOTVCICBGHL-KGLIPLIRSA-N 241.419 3.508 30 20 BHED C[C@@H](CCC1CC1)Nc1cccc(CC#N)c1 449705967 ZSOPYQYBPUZFPS-LBPRGKRZSA-N 228.339 3.743 30 20 BHED C=CCCC1(C(=O)NC[C@@H]2CCCC[C@@H]2C)CC1 475173703 LWXMGIJEXIYZHQ-KBPBESRZSA-N 249.398 3.675 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCCCc1ccccc1F 475568646 OLZNBIRRKGYOIH-ZIAGYGMSSA-N 249.373 3.949 30 20 BHED C=CCN(Cc1ccccc1F)C1CCCC1 535666321 RZZASOALXSCZFK-UHFFFAOYSA-N 233.330 3.756 30 20 BHED CCC(CC)CN[C@@H]1CCc2ccc(C#N)cc21 577151707 MRALGHYKTDNWRW-MRXNPFEDSA-N 242.366 3.571 30 20 BHED N#CCCCSc1ccc(Cl)c(F)c1 593437245 OWGKSFFRAJMHPX-UHFFFAOYSA-N 229.707 3.875 30 20 BHED C=CCCCN(Cc1ccc(C)o1)C1CC1 605149970 YMIFIWBHGYBLPM-UHFFFAOYSA-N 219.328 3.519 30 20 BHED C=CCCCSCc1cc(C#N)ccc1F 609805035 MHXHOVVXTUWAQA-UHFFFAOYSA-N 235.327 3.897 30 20 BHED C[C@]12C[C@H]1CCC[C@H]2Nc1cccc(C#N)c1 619724910 VMSILJPBNULFLW-YUELXQCFSA-N 226.323 3.549 30 20 BHED Cc1cccc(NN=C2CCC[C@@H]2C)c1 729141217 UZRKMCKRXUAHKN-NSHDSACASA-N 202.301 3.583 30 20 BHED C#CCCCCN[C@@H]1CC(C)(C)c2ccccc21 773039274 DPIIPVSFBOBRPV-MRXNPFEDSA-N 241.378 3.802 30 20 BHED C#CCCCCCC(=O)Oc1c(C)cccc1C 779705660 GWTQPHIICSWYER-UHFFFAOYSA-N 244.334 3.793 30 20 BHED C=CCCCCCOC(=O)CCc1ccco1 781971198 XPOGDLZJXVVAHO-UHFFFAOYSA-N 236.311 3.502 30 20 BHED C[C@@H](NN=C[C@@]1(C)CCCS1)c1ccccc1 792988697 XHRCPMZJCHYCOV-TZMCWYRMSA-N 248.395 3.609 30 20 BHED C=CCCC(CC)=NN[C@@H](C)C(C)(C)C 793112102 PFZWAOYMVKZZEN-NSHDSACASA-N 210.365 3.743 30 20 BHED CC[C@@H](C)CON=C[C@@H](C)c1ccc(F)cc1 793163289 IFUVQQNZANVDFV-VXGBXAGGSA-N 237.318 3.978 30 20 BHED C#Cc1ccc(CNc2ccccc2CC)cc1 809595132 FLADTJYUMJUDPF-UHFFFAOYSA-N 235.330 3.842 30 20 BHED Cc1ccc(C2CC(=NOC/C=C/Cl)C2)cc1 811669155 COGUJZBMKWOVHQ-XKRVKPAHSA-N 249.741 3.998 30 20 BHED C=CCCCCC(C)=NNc1cc(C)nc(C)n1 834940059 CEEFMIJBFBVHBD-UHFFFAOYSA-N 246.358 3.628 30 20 BHED CC(=NOCC1CCC1)c1ccccc1C 853439185 AMTUDKFDYLBKAG-UHFFFAOYSA-N 217.312 3.536 30 20 BHED C=CCN(C(=O)/C(C)=C\CC)c1ccccc1 918563494 PVPJDEDCAPRFHC-LCYFTJDESA-N 229.323 3.562 30 20 BHED Cc1ccccc1C=NN[C@@H](C)c1ccccc1 920385302 APWOMBCCEBCMHX-AWEZNQCLSA-N 238.334 3.680 30 20 BHED CCCN(CCC1(C#N)CCCCC1)C(C)C 1195596001 KAUATORJEKYKLV-UHFFFAOYSA-N 236.403 3.971 30 20 BHED CC(CCCc1cccnc1)=NOC(C)(C)C 1261277791 LUWYEEPWDGLEMX-UHFFFAOYSA-N 234.343 3.595 30 20 BHED CCC(CC)c1nnc(-c2ccc(C#N)cc2)o1 1345867814 UBFBJCAGIOZIOV-UHFFFAOYSA-N 241.294 3.512 30 20 BHED C[C@@H]1CCN([C@H](C#N)c2ccccc2)CC1(C)C 1653230055 OCKXWDRXSXBOKU-UKRRQHHQSA-N 242.366 3.619 30 20 BHED CC(C)(C)CNc1ccc(Cl)c(C#N)c1 41051274 QNKMOMYPCZXGCM-UHFFFAOYSA-N 222.719 3.670 30 20 BHED CCCCCN(CCCSCC#N)C(C)C 74981585 YZSLIOAPHXHEBN-UHFFFAOYSA-N 242.432 3.534 30 20 BHED Cc1ccc(C)c(CSCCCC#N)c1 106588888 NPAKBOQAJBASDD-UHFFFAOYSA-N 219.353 3.840 30 20 BHED CC1(C)CC[C@@H](Nc2ccc(CC#N)cc2)C1 129390807 IZOGQJUVSHLPBF-CQSZACIVSA-N 228.339 3.743 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)c1cccc(OC)c1 135712912 CNJRBSFOURBXTA-OLZOCXBDSA-N 233.355 3.701 30 20 BHED CC(C)C[C@H]1CCCN1Cc1ccc(C#N)s1 153456280 ZMIHLJOLPBBCFY-GFCCVEGCSA-N 248.395 3.630 30 20 BHED CC#CCSCc1coc(-c2ccccc2)n1 166574716 UESLQFQCRCCFDW-UHFFFAOYSA-N 243.331 3.598 30 20 BHED C=CC[C@H](C)Nc1nc(C(F)(F)F)cs1 269358977 MDKJOCIXZWUGGH-LURJTMIESA-N 236.262 3.538 30 20 BHED C[C@H](CCC#N)N[C@@H]1CCC[C@@H]1c1ccccc1 298539373 MXSJPRNACBBWRZ-FVQBIDKESA-N 242.366 3.605 30 20 BHED C=C[C@@H](C)Nc1cc(C)nc2ccc(F)cc12 301678342 QZORJAQVNUNPHR-SECBINFHSA-N 230.286 3.669 30 20 BHED CC[C@@H](CC(C)C)C(=O)Nc1cccc(C#N)c1 308093238 VKCJDEHDGBJWHB-ZDUSSCGKSA-N 244.338 3.569 30 20 BHED C=CCCCCN[C@H](CC)c1ccc(F)cn1 310221785 XGVGQKKTIULXIH-CYBMUJFWSA-N 236.334 3.618 30 20 BHED C=C(CC)CN[C@H]1C[C@@H](C)c2c(C)ccc(O)c21 313483968 NPVQAFDACKXWFV-OLZOCXBDSA-N 245.366 3.805 30 20 BHED CC1(C)C[C@@H](Sc2ccccc2C#N)CCO1 334809681 JCEGQBBZDFFYRZ-LBPRGKRZSA-N 247.363 3.608 30 20 BHED C=CC[C@@H](CC)NCc1ccsc1C 339387076 HHRIRZXBRYAIMC-GFCCVEGCSA-N 209.358 3.501 30 20 BHED Cc1ccccc1[C@@H](NCC1(C#N)CC1)C(C)C 343582502 PQPNVRIRSWDQJW-HNNXBMFYSA-N 242.366 3.586 30 20 BHED N#Cc1cnccc1/C=C\c1sccc1Cl 349114509 UQSIBBFAGKXQGE-UPHRSURJSA-N 246.722 3.839 30 20 BHED C=CCC(C)(C)CN[C@@H](C)CC1CCC1 381887536 PTXIIDPGVKXBRG-LBPRGKRZSA-N 209.377 3.757 30 20 BHED C=C(C)CN[C@H]1CCCCC12CCCC2 389608386 ZOXFKXHWIDUZFN-ZDUSSCGKSA-N 207.361 3.655 30 20 BHED C=CC(C)(C)C(=O)N(C)CCC1CCCCC1 448860415 JEMNNYKWKPSJCL-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCC[C@H](C)C1 456981673 OCXLUXRILFCKEM-RWMBFGLXSA-N 237.387 3.530 30 20 BHED CCCC[C@H]1CCC[C@H]1NCC(C)(C)CC#N 459730424 MDHDMIMQVXQNOC-UONOGXRCSA-N 236.403 3.875 30 20 BHED C=C(C)CCc1noc(CC(C)(C)CC)n1 508592515 ATIQQMOOQUZFPG-UHFFFAOYSA-N 222.332 3.557 30 20 BHED C=C(C)CCc1noc([C@H](C)C(C)(C)C)n1 508595712 OYMYCLMHWKLTFU-JTQLQIEISA-N 222.332 3.728 30 20 BHED C=CCN(CC)C[C@@H](CC)c1ccccc1 511974901 WWESNXPKKVLTNJ-CQSZACIVSA-N 217.356 3.688 30 20 BHED C=CCN(Cc1ccsc1)c1ccccc1 533043219 QPSPHLHDGWAOED-UHFFFAOYSA-N 229.348 3.941 30 20 BHED CC[C@@H](C)[C@H](C)N(CCC(C)(C)C#N)C1CC1 537365111 CXNWQGZJTDPXNM-OLZOCXBDSA-N 236.403 3.825 30 20 BHED CC(C)CC[C@@H]1CCC[C@@H]1N[C@H]1CC[C@@H](C#N)C1 555460992 GREGSLVVMTWMML-UGUYLWEFSA-N 248.414 3.873 30 20 BHED C=CCN[C@@H](C)c1ccc(F)c2ccccc12 559845111 RFYPCZPFYAWYOC-NSHDSACASA-N 229.298 3.816 30 20 BHED Cc1cc(SCCCOC(C)C)ccc1C#N 563713486 IWROIDGDINQDGS-UHFFFAOYSA-N 249.379 3.774 30 20 BHED C=CCCSCCNc1nccc2occc12 596413834 XSQVZKQAGKVDBE-UHFFFAOYSA-N 248.351 3.549 30 20 BHED Cc1cccc2c1CC[C@H]2NC[C@@H](C)CCC#N 602539059 AVCDJQJBBZUILY-BLLLJJGKSA-N 242.366 3.512 30 20 BHED C=CCCCN(C1CC1)[C@@H](C)[C@@H](C)CC 605150586 BKDYWMMISZBWHO-STQMWFEESA-N 209.377 3.852 30 20 BHED C=CCCCN1C[C@@H](c2ccccc2)C[C@@H]1C 605150980 OPHSOIDGKKVBOM-HOCLYGCPSA-N 229.367 3.831 30 20 BHED CCCCCCCN[C@@H]1CCCC[C@H]1F 616581303 MVFIGYSTEPWVRQ-CHWSQXEVSA-N 215.356 3.827 30 20 BHED C=CCC1(NC(=O)C[C@H]2C=CCCC2)CCCC1 619111308 UHEVLTFBAPZJLX-AWEZNQCLSA-N 247.382 3.738 30 20 BHED C=C(Cl)CN1CC[C@@H](c2ccccc2C)C1 726070477 ABHNEOVXEXNJSV-CYBMUJFWSA-N 235.758 3.537 30 20 BHED Cc1ncsc1/C=C1\CCCC(C)(C)C1=O 757534664 OAXQLKXUQLMUHP-JXMROGBWSA-N 235.352 3.614 30 20 BHED C[C@@H]1CCCCC1=NNCCc1ccccc1F 764721793 JNFDRNBWIBADLR-GFCCVEGCSA-N 248.345 3.524 30 20 BHED CC1(C)CCC(C=NOCC(F)(F)F)CC1 764846248 FOZBPEAYALKNMZ-UHFFFAOYSA-N 237.265 3.768 30 20 BHED CC(C)CCC(=O)OCCCCC(C)(C)C#N 768478367 ALUXWGYREZVPDH-UHFFFAOYSA-N 239.359 3.686 30 20 BHED Cc1cccc2c1CCC2=NOC1CCCC1 774597206 PUEQDSZLDBLHSQ-UHFFFAOYSA-N 229.323 3.605 30 20 BHED C[C@@H]1CCCC(=NN[C@H]2CCCC2(C)C)C1 782301007 NLRJANXEWUQDSN-YPMHNXCESA-N 222.376 3.721 30 20 BHED CC[C@H](C)CON=C[C@@H](C)c1ccc(F)cc1 793163286 IFUVQQNZANVDFV-NWDGAFQWSA-N 237.318 3.978 30 20 BHED C=CCCC(CCC)=NNc1ccc(OC)cn1 814909553 MVQSBBNJMKROAS-UHFFFAOYSA-N 247.342 3.624 30 20 BHED C=C(C)C(C)(C)C(=O)OCCCCCCF 821114063 ZRPVSUQTNBAPQA-UHFFFAOYSA-N 230.323 3.662 30 20 BHED Clc1ccc2c(c1)CC(=NOCC1CCC1)C2 853440005 VZZRMJRBWGIQPS-UHFFFAOYSA-N 249.741 3.611 30 20 BHED FC(F)(F)c1ccccc1CON=CC1CC1 853735976 HFWNLFMMUJEEPG-UHFFFAOYSA-N 243.228 3.618 30 20 BHED CCC[C@H](CC)C(=O)OCCCC(C)(C)C#N 873420377 JFCJKSBRWJTMNV-LBPRGKRZSA-N 239.359 3.686 30 20 BHED CCO[C@@H](C)Sc1ccc(Cl)cc1C#N 901506818 BFBOZKMBUMQLLO-MRVPVSSYSA-N 241.743 3.686 30 20 BHED CC(=NNc1ccccc1)c1ccc(F)cc1 916246032 VBKOTWKKKATZGK-UHFFFAOYSA-N 228.270 3.662 30 20 BHED C[C@H]1CCCCC1=NN[C@H](C)c1ccccc1 920385446 CWZXXKAOMSVLJJ-QWHCGFSZSA-N 230.355 3.903 30 20 BHED Cc1ccsc1C=NN[C@@H](C)c1ccccc1 920385823 IBBFUSGPIFFRER-LBPRGKRZSA-N 244.363 3.741 30 20 BHED C=C(CC(C)C)C(=O)Nc1ccc(OC)cc1C 1263725921 SZUGSURBGFQFNT-UHFFFAOYSA-N 247.338 3.544 30 20 BHED C=C(Cl)CN[C@@]1(C)CCCc2ccccc21 1459816028 VOIOFLFANQQRGF-AWEZNQCLSA-N 235.758 3.580 30 20 BHED C[C@@H](CCC#N)CN1C[C@@H](C)Cc2ccccc21 1659390044 ROUFNSBEHBBBPR-KBPBESRZSA-N 242.366 3.625 30 20 BHED CCC1CCC(CNc2ccc(C#N)cn2)CC1 37906103 ZLURXRQPUWUOJD-UHFFFAOYSA-N 243.354 3.582 30 20 BHED CC[C@H](Nc1ncccc1C#N)C1CCCCC1 52341284 FCEYEGDIZNHDML-AWEZNQCLSA-N 243.354 3.724 30 20 BHED CC(C)c1ccc(S[C@H](C)C#N)cc1 54918274 KWZFMZDVFVTNCJ-SNVBAGLBSA-N 205.326 3.814 30 20 BHED CCN(CCC#N)[C@@H](C)c1cc2ccccc2o1 66434357 JJSOHKHVXGFGAK-LBPRGKRZSA-N 242.322 3.729 30 20 BHED C=CCCCNc1ccccc1OC(F)F 70591537 FHQJBWKESQOPSF-UHFFFAOYSA-N 227.254 3.666 30 20 BHED CC1(C)CCC[C@H]1Nc1cccc(OCC#N)c1 94306097 QJOBBCAYAUVWAU-CQSZACIVSA-N 244.338 3.580 30 20 BHED C=C[C@H](C)Nc1ccnc2cc(Cl)ccc12 130655394 PZGCLZXEXGHYQS-VIFPVBQESA-N 232.714 3.875 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc2[nH]ccc2c1 135552142 SOUMMMCUNZLFBE-OAHLLOKOSA-N 242.322 3.709 30 20 BHED C=CCCSCCc1ccc(OC)cc1 172670960 SDBYHIIDHMEMSP-UHFFFAOYSA-N 222.353 3.547 30 20 BHED Cc1ccccc1[C@@H](NCCCC#N)C(C)(C)C 180093814 DXPGSKPEGPQRAB-OAHLLOKOSA-N 244.382 3.976 30 20 BHED Cc1occc1SCc1cc(C#N)ccc1F 181296519 MMLFRNBODDQCEP-UHFFFAOYSA-N 247.294 3.891 30 20 BHED CC#CCCCC(=O)N[C@@H](CC)c1cccs1 185242859 PHNUECHKFJCYOS-LBPRGKRZSA-N 249.379 3.509 30 20 BHED C#CCCCC(=O)Nc1ccccc1C(C)(C)C 192048064 VDHJTJDLMDWYQT-UHFFFAOYSA-N 243.350 3.726 30 20 BHED C=CCCCC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 246839979 LHIYIFDJCKYRAN-HZSPNIEDSA-N 235.371 3.522 30 20 BHED C=C(CC)CN[C@H]1CCC[C@H](C(F)(F)F)C1 313476868 BHJPVTXEEKCREX-QWRGUYRKSA-N 235.293 3.663 30 20 BHED CCCCN[C@@H]1CCCCc2cc(C#N)ccc21 360841888 UNRWBEMRPLNIKN-MRXNPFEDSA-N 242.366 3.715 30 20 BHED C=CC[C@@H](CC)NCc1ccc(Cl)s1 389228734 RZYHDELEYUSFGM-SECBINFHSA-N 229.776 3.846 30 20 BHED C=CCSCCN[C@@H]1CCCC12CCCC2 392888121 MBXHFOPBUZWLFU-CYBMUJFWSA-N 239.428 3.608 30 20 BHED C#Cc1cccc(NCCC(C)(C)SC)c1 395412269 CYYKZEMKJHUZHY-UHFFFAOYSA-N 233.380 3.612 30 20 BHED CCCCCCCCCNCc1ccc(C)nn1 396582571 STMGXRKBFJITNV-UHFFFAOYSA-N 249.402 3.625 30 20 BHED C=CCCCCCN[C@@H](C)[C@](C)(OC)C1CC1 411970657 NOROUBALWSFURL-ZFWWWQNUSA-N 239.403 3.526 30 20 BHED C=CCN(CCc1ccccc1)CC1CCC1 441263888 KCQYMQKQHNTFMO-UHFFFAOYSA-N 229.367 3.517 30 20 BHED C=C[C@@](C)(CC)C(=O)NCC(C)(C)C1CCC1 452782724 GOHFZLVENFTVKP-HNNXBMFYSA-N 237.387 3.531 30 20 BHED C=CCOCCCN(C)[C@@H](C)c1ccccc1C 470715892 JQGSKOVFAATLHV-HNNXBMFYSA-N 247.382 3.581 30 20 BHED C=CCN(CC=C)Cc1cccc(C(F)F)c1 470721605 CZAFDJOGWNRTKH-UHFFFAOYSA-N 237.293 3.798 30 20 BHED C=CCCN(C)Cc1csc2ccccc12 549350447 WXTNYKSNIDCYLE-UHFFFAOYSA-N 231.364 3.909 30 20 BHED C=CCNc1ccccc1COc1ccccc1 558042149 QVPJAVBUOKQLEO-UHFFFAOYSA-N 239.318 3.864 30 20 BHED Cc1c(F)cccc1NC(=O)CCCCCC#N 588160318 CWDUIVKCYQNRDZ-UHFFFAOYSA-N 248.301 3.547 30 20 BHED CSc1cccc(NC[C@H](C)CCC#N)c1 602486030 XFNPDVYTZIWVFF-LLVKDONJSA-N 234.368 3.760 30 20 BHED Cc1c(Cl)cccc1Oc1ccncc1C#N 702675366 WWKZFSRXOXVUAQ-UHFFFAOYSA-N 244.681 3.707 30 20 BHED CCCCCCCC(=O)N1C[C@@H](C)CC1(C)C 746659166 UVBISQZWZBKHJP-ZDUSSCGKSA-N 239.403 3.994 30 20 BHED CCCCCCCC(=O)Nc1cc(C)ns1 748005526 RTRYPBKSICAEDG-UHFFFAOYSA-N 240.372 3.751 30 20 BHED C=CCCCC(=O)Oc1ccc(C)cc1C 748515306 KTJSQDWQKQDFMK-UHFFFAOYSA-N 218.296 3.565 30 20 BHED CCCCCCCN1CCC[C@H](c2ncc[nH]2)C1 749843463 CNFYTKQTMZRYEM-AWEZNQCLSA-N 249.402 3.560 30 20 BHED CC#CCCCC(=O)Oc1ccc(CCC)cc1 767101742 GBOXSUVKIIUQPS-UHFFFAOYSA-N 244.334 3.738 30 20 BHED CCON=C(CC)c1cccc2ccccc12 780210502 VCKXOUFMUHGFKV-UHFFFAOYSA-N 227.307 3.990 30 20 BHED Cc1ccnc(NN=C2CC[C@H](C)C[C@@H]2C)c1 783855841 SRYYCKXAQLIYRV-JQWIXIFHSA-N 231.343 3.614 30 20 BHED CON=C(C)c1ccccc1SC(C)(C)C 788425340 QYZXTQBNBGSFMM-UHFFFAOYSA-N 237.368 3.948 30 20 BHED CC[C@@H](C)NN=Cc1cccc2ccccc12 790189406 NSMBMYVXKJQSJB-GFCCVEGCSA-N 226.323 3.562 30 20 BHED Clc1cccc(NN=C2CCCCCC2)n1 793175158 OZXGDLOMUBKTPE-UHFFFAOYSA-N 237.734 3.857 30 20 BHED CCC(C=NOCc1ccccc1OC)CC 799118125 YNFUAHULWORUDK-UHFFFAOYSA-N 235.327 3.634 30 20 BHED CCC(CC)CNN=C1CC(c2ccccc2)C1 814906150 IAHPWLYORFSDLA-UHFFFAOYSA-N 244.382 3.946 30 20 BHED C/C(=C/C(=O)O[C@@H]1CCC[C@@H](C#N)C1)C(C)(C)C 839057419 XPDSLLXJGHTFND-FUTHCOOYSA-N 249.354 3.604 30 20 BHED CCCCCCCCN[C@@H]1CCCn2ccnc21 848534148 YAVZUPTUAWJBGG-CQSZACIVSA-N 249.402 3.668 30 20 BHED C=C(Cl)CSC/C(Cl)=C\Cl 853783536 LLTFGRFUALJGGK-QHHAFSJGSA-N 217.548 3.791 30 20 BHED C=CCCC[C@H](C)NCc1nc(Cl)cs1 877137534 XGMJKPMRQDULIW-VIFPVBQESA-N 244.791 3.631 30 20 BHED C/C=C/C=C/C(=O)NCCCCCCCCC 913037204 JNOISAPWONPCSH-OACCZNHXSA-N 237.387 3.986 30 20 BHED N#CCc1cccc(NCCCC2CCCC2)n1 1116636221 GWZLMKZLPRLGOU-UHFFFAOYSA-N 243.354 3.530 30 20 BHED C[C@@H](C1CCCCC1)N(C)CC1(CC#N)CC1 1194032125 ZVYWSOFYKQQECE-ZDUSSCGKSA-N 234.387 3.581 30 20 BHED CCCCCCCCc1nnc(CC2CC2)o1 1322317436 LBBBGCLXWOMEDZ-UHFFFAOYSA-N 236.359 3.925 30 20 BHED CCCCCN(Cc1ccccc1C#N)C(C)C 48231342 GLCGGMHVWZLUPA-UHFFFAOYSA-N 244.382 3.959 30 20 BHED CCN(CCCC(C)(C)C#N)c1ccc(F)cc1 87608677 IRXRSPBVBQSKGJ-UHFFFAOYSA-N 248.345 3.982 30 20 BHED CC[C@H](C)C[C@H](C)NCc1ccc(C#N)cc1F 88297374 PEKRPIRNPCFRLK-RYUDHWBXSA-N 248.345 3.612 30 20 BHED C[C@H]1CCC[C@@H](N(C)c2ccc(F)cc2C#N)C1 111036233 HWYSRLMNZIEMSM-SMDDNHRTSA-N 246.329 3.712 30 20 BHED CCCCCCCC(=O)NCC1(C2CC2)CC1 119163945 WVKKABRXGDWCIQ-UHFFFAOYSA-N 237.387 3.653 30 20 BHED C#CCCCCN[C@@H](C)c1ccc(Cl)cc1 130750620 RVEPBLBHGHRHAK-LBPRGKRZSA-N 235.758 3.794 30 20 BHED C[C@@H]1C[C@H]2CCCC[C@@H]2N1CCC(C)(C)C#N 131717362 BFEBGNUKVGZHGK-MCIONIFRSA-N 234.387 3.579 30 20 BHED C=CCCN1C[C@H](c2ccc(F)cc2)C[C@H]1C 133162142 SXPMJSZXMKOPFQ-TZMCWYRMSA-N 233.330 3.580 30 20 BHED CC[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)c1 163896606 DXMSXUDYBZQSQP-QMMMGPOBSA-N 242.244 3.787 30 20 BHED CN(Cc1ccc(Cl)cc1C#N)C1CCCC1 186515564 VAYLHQGBRLDMLA-UHFFFAOYSA-N 248.757 3.586 30 20 BHED C[C@@H]1CC[C@@H](C)N1Cc1ccc(Cl)cc1C#N 187158247 YZONMXRUSVYKHG-GHMZBOCLSA-N 248.757 3.584 30 20 BHED C[C@H](C#N)Oc1ccccc1NCCC(C)(C)C 187307928 XJZGDIIUOVRATR-GFCCVEGCSA-N 246.354 3.826 30 20 BHED C#CCCCC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C 192137499 NWEWSWKPGDYNRY-ZIAGYGMSSA-N 249.398 3.511 30 20 BHED C=CCS[C@@H](C)[C@H](C)SCC=C 307960211 VSJQFINBCUQGOK-UWVGGRQHSA-N 202.388 3.602 30 20 BHED C=C(CC)CN[C@@H](C)c1cc(F)ccc1F 309820945 WHUQYDAJBQEMTN-JTQLQIEISA-N 225.282 3.582 30 20 BHED C=CCCN(C)C(=O)c1ccccc1C(C)(C)C 341986214 SQWNEFOHZHPNAN-UHFFFAOYSA-N 245.366 3.632 30 20 BHED C=CCC(C)(C)CNCc1ccc(F)cc1 381870494 KPFKKFXGUDMMFG-UHFFFAOYSA-N 221.319 3.518 30 20 BHED C=CC[C@H](Cc1ccccc1)N[C@H](C)C1CC1 414290575 ABVXJTFMTDGFRU-CZUORRHYSA-N 229.367 3.562 30 20 BHED CO[C@@H](CSc1ccc(C#N)cc1)CC(C)C 416924441 WVLVBLMKTRXPBE-CYBMUJFWSA-N 249.379 3.711 30 20 BHED C=CCOc1ccc(-c2c(C)noc2C)cc1 432334526 JYJDMSRQELBGKF-UHFFFAOYSA-N 229.279 3.523 30 20 BHED C=CCC1(C(=O)N[C@H]2CCC2(C)C)CCCCC1 451765104 WXRAKUOBTGDQNS-ZDUSSCGKSA-N 249.398 3.818 30 20 BHED C=C[C@@](C)(CC)C(=O)NCCC1=CCCCCC1 467923185 QCTJBAWJUZFUEV-INIZCTEOSA-N 249.398 3.986 30 20 BHED C=CCC(C)(C)CNC(=O)c1ccc(C)cc1C 490090459 QOCSBMZSMLZGEG-UHFFFAOYSA-N 245.366 3.636 30 20 BHED C=C(C)CN(CC)C[C@H]1C[C@H]1c1ccccc1 505871861 HCTAIXXZOQZFMD-CVEARBPZSA-N 229.367 3.688 30 20 BHED C[C@H](CC1CCCCC1)CN(CC#N)C1CC1 541773059 PYRXAIQAUIGRPA-CYBMUJFWSA-N 234.387 3.581 30 20 BHED C=CCOCCSC(CCC)CCC 549041504 LKJABTMTBDCMAJ-UHFFFAOYSA-N 216.390 3.891 30 20 BHED C=CCCCCN(C)[C@@H](CC)c1ccncc1 556247795 BOKPZIIVGJRNGM-HNNXBMFYSA-N 232.371 3.821 30 20 BHED CC[C@H](N[C@@H](CC)C1CC1)c1ccc(C#N)cc1 595079029 CDEKSNSVVPWWKO-HOTGVXAUSA-N 242.366 3.788 30 20 BHED CCC[C@H](CC)N[C@@H]1CCc2cc(C#N)ccc21 618805843 PHQCCEICRLFUOI-GOEBONIOSA-N 242.366 3.714 30 20 BHED C=CCCC[C@H](C)Nc1nc(C)cc(CC)n1 680962666 WXJHUXBFPSADOX-NSHDSACASA-N 233.359 3.504 30 20 BHED C[C@H](N[C@H](C)CC(C)(C)C#N)c1ccsc1 695786512 HVJWHJIYEUGUGE-MNOVXSKESA-N 236.384 3.727 30 20 BHED C=CC[C@H](C)C(C)=NNCCCc1ccccc1 729145037 HAZAFDJBTWZAAH-AWEZNQCLSA-N 244.382 3.797 30 20 BHED CCCCCCCOC(=O)c1cccnc1C 731098644 LRCOVFDTFWEYPD-UHFFFAOYSA-N 235.327 3.517 30 20 BHED C=C(Cl)CSc1ccc(C#N)cc1F 741447789 PNMBHPIYLZJKAG-UHFFFAOYSA-N 227.691 3.542 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C 779914033 SDNVZCQTJKLBIB-QLFBSQMISA-N 249.398 3.511 30 20 BHED CC[C@@H](C)[C@@H](C)C(=O)OCCCC(C)(C)C#N 784614381 QRIDMGLMOGSMJP-VXGBXAGGSA-N 239.359 3.542 30 20 BHED C[C@H](NN=C/C=C/c1ccc(F)cc1)C(C)(C)C 793111535 IQPMJRFHGRTUKE-KMICLDFOSA-N 248.345 3.849 30 20 BHED COCC[C@H]1CCCC1=NNc1cccc(C)c1 799864449 NUXATAAQBRVJDD-CYBMUJFWSA-N 246.354 3.600 30 20 BHED CCC(=NOCCOC(C)C)c1ccc(C)cc1 812239180 OSYGMFSAPGVLSQ-UHFFFAOYSA-N 249.354 3.551 30 20 BHED CC[C@@H]1C[C@H](C)CCC1=NOCCOC(C)C 812240176 JMVPZXKYNCCVLE-CHWSQXEVSA-N 241.375 3.630 30 20 BHED Cc1ccc(C2CC(=NOCC3CC3)C2)cc1 814243183 KJUHSVPKXKPBIY-UHFFFAOYSA-N 229.323 3.655 30 20 BHED CC[C@H](C=NO[C@@H]1CCCCO1)c1ccccc1 814887796 MQODAGURIKCYNX-UKRRQHHQSA-N 247.338 3.709 30 20 BHED c1ccc(CON=C2CCc3ccccc32)cc1 839419592 QAKYUGDYFIWBDE-UHFFFAOYSA-N 237.302 3.554 30 20 BHED C=C[C@@H](C)ON=C1CC(C)(c2ccccc2)C1 844622855 CJXXXIVKUZKAGZ-KEKZHRQWSA-N 229.323 3.685 30 20 BHED C[C@@H](CC(C)(C)C#N)OC(=O)CC1=CCCCC1 851210102 NVASWDGAFIKEQN-LBPRGKRZSA-N 249.354 3.748 30 20 BHED Cc1ccc(NN=C[C@@H]2C[C@H]2C)cc1Cl 1319265772 CKYTVQLVECQILB-ZJUUUORDSA-N 222.719 3.702 30 20 BHED CCCC[C@H](CCC)CNc1ncccc1C#N 1655250779 VQHNCRJYTKDOOR-ZDUSSCGKSA-N 245.370 3.972 30 20 BHED N#CCCOc1ccc(Oc2ccccc2)cc1 19808997 HCLVLTLVXSYKEG-UHFFFAOYSA-N 239.274 3.771 30 20 BHED CC[C@@H]1CCCC[C@@H]1NCc1cccc(C#N)c1 35256715 QLPKYMVXNCKMNM-CVEARBPZSA-N 242.366 3.617 30 20 BHED CCCCCNc1cc(Cl)ccc1C#N 36954153 LJLJQRDSDZYVGT-UHFFFAOYSA-N 222.719 3.814 30 20 BHED CC[C@@H](CC#N)N[C@H](CC)c1ccc(F)cc1 54183057 JLGUHPHETCHVDE-UONOGXRCSA-N 234.318 3.559 30 20 BHED C[C@@H](N(C)Cc1ccc(C#N)cc1F)C(C)(C)C 55481943 YXWSRCOVYJCFLI-LLVKDONJSA-N 248.345 3.564 30 20 BHED CCCCCCC[C@H](C)NC[C@H]1CCCO1 59089980 NNQQSVBGVAWJJP-UONOGXRCSA-N 227.392 3.504 30 20 BHED CC(C)(C#N)CCCNc1c(F)cccc1F 87597255 QDELLLMFJXVZDO-UHFFFAOYSA-N 238.281 3.707 30 20 BHED CC1(C)CCCN(Cc2ccccc2C#N)CC1 87657811 PKFLKHMVFUPZCG-UHFFFAOYSA-N 242.366 3.570 30 20 BHED C=CCC[C@H](N[C@@H](CC)COC)c1ccccc1 90580838 KOSHUYIXHZPRJZ-HOTGVXAUSA-N 247.382 3.709 30 20 BHED N#CCC[C@@H](NC1CCCCC1)c1ccccc1 90665025 WORXXANRPRNMJL-MRXNPFEDSA-N 242.366 3.954 30 20 BHED CCC(CC)COc1cccc(F)c1C#N 128937797 ZNJFTYGIORRIMR-UHFFFAOYSA-N 221.275 3.512 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc(CC)s1 161672496 OMSWKVNXIUCUMD-GHMZBOCLSA-N 223.385 3.926 30 20 BHED CCC(CC)=NNCc1ccc(Cl)cc1 216612389 AVYXHMYKOILBOO-UHFFFAOYSA-N 224.735 3.606 30 20 BHED C=CCCOCCN[C@@H](CCC)c1ccccc1 222440564 RCXKNWCERLMZRS-INIZCTEOSA-N 247.382 3.710 30 20 BHED C[C@H](CCC#N)N1CCC[C@H]1c1cccs1 276351358 WNDBXZIEYGJGKM-NEPJUHHUSA-N 234.368 3.577 30 20 BHED C=CC[C@@H](C)[C@H](C)Nc1cc(C2CC2)ccn1 353620753 JERSEFBJTFUGAC-NEPJUHHUSA-N 230.355 3.972 30 20 BHED C=C(CC)CS[C@@H](C)C(=O)Nc1ccccc1 358640958 ZVTLQDSOJWRRPI-LBPRGKRZSA-N 249.379 3.713 30 20 BHED CN(CCCCC#N)[C@H]1CCC[C@H]1C(C)(C)C 419321970 GQCPFPCMMRVXSK-KGLIPLIRSA-N 236.403 3.827 30 20 BHED CC#CCN(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 441333384 SJDKAMKVNTUFBT-DLBZAZTESA-N 241.378 3.586 30 20 BHED C=CCCc1nc(-c2coc3ccccc23)no1 445577738 WIJPYEMPOCCXKX-UHFFFAOYSA-N 240.262 3.601 30 20 BHED C=CCCCCCN(C)CC1CC(F)(F)C1 450431512 ZSYPSGZYWZGBPA-UHFFFAOYSA-N 231.330 3.710 30 20 BHED C=CCCCC(=O)NCC(C)(C)C1=CCCC1 457185160 QTHNHCZLAKEBCD-UHFFFAOYSA-N 235.371 3.595 30 20 BHED CCc1cccc(CNc2ccc(C#N)cc2)c1 469342815 WAALPTVODOXZCR-UHFFFAOYSA-N 236.318 3.733 30 20 BHED C=CCC1(C(=O)N[C@H]2CCC[C@@H](C)CC2)CCC1 480511442 UCQRRXKGPALHNZ-KGLIPLIRSA-N 249.398 3.818 30 20 BHED C=CCC(C)(C)CNC(=O)C[C@@H]1CC[C@H](C)C1 489943600 UKIUNTZTBLKHSG-QWHCGFSZSA-N 237.387 3.531 30 20 BHED C=C(C)CCN(C)[C@@H](CC)Cc1ccccc1 509694857 CBLIBXFOWXCGAU-INIZCTEOSA-N 231.383 3.906 30 20 BHED C[C@H](c1cccc2ccccc12)N(C)CCC#N 530724203 AJJFODDEMQWWTP-CYBMUJFWSA-N 238.334 3.746 30 20 BHED Cc1ccc(CSCC2(C#N)CC2)cc1F 600646840 XIWRBDQIRAOPJB-UHFFFAOYSA-N 235.327 3.671 30 20 BHED CCC[C@@H]1CCCC[C@H]1NC[C@@H](C)CCC#N 602535619 QTHQBHJNTQQVPJ-RRFJBIMHSA-N 236.403 3.875 30 20 BHED C[C@@H](CCC#N)CN(C)C(C)(C)c1ccccc1 602654766 SHFFNIJXCDUHIE-AWEZNQCLSA-N 244.382 3.793 30 20 BHED N#C[C@@H]1CC[C@@H](Nc2ccc(C3CC3)cc2)C1 619673247 PFNCMULBEAEACM-IAQYHMDHSA-N 226.323 3.668 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1cnccc1C 678425574 BLGNRLXIXMTPMX-FPMFFAJLSA-N 232.371 3.641 30 20 BHED C=CCCCOC(=O)c1ccc2ccccc2c1 735523159 FXOKEPOCTUUDKL-UHFFFAOYSA-N 240.302 3.963 30 20 BHED C=CCCCOC(=O)C1(c2ccccc2)CCC1 735527173 DYVAIWMLNOTDJM-UHFFFAOYSA-N 244.334 3.618 30 20 BHED CCCCCCCCN(CC)C[C@@H]1CCOC1 740877937 ILVAFQWJBWJFMO-HNNXBMFYSA-N 241.419 3.705 30 20 BHED C=CCCCSCc1cccc(Cl)n1 743248630 LBLXOILFULGPSD-UHFFFAOYSA-N 227.760 3.934 30 20 BHED C=CCCC(=O)OCc1cc2ccccc2s1 754809619 UPHBVJYBEJVLNR-UHFFFAOYSA-N 246.331 3.911 30 20 BHED C=CC[C@H](N[C@H]1CCCC[C@@H]1C)c1ccncc1 766018161 GEUHSJGYTPXPEI-BPUTZDHNSA-N 244.382 3.867 30 20 BHED Fc1cc(Cl)cc(C=NNc2ccccc2)c1 776722773 WIESWUKAVNEMBP-UHFFFAOYSA-N 248.688 3.925 30 20 BHED C#CCCCCCC(=O)Nc1ccc(F)c(C)c1 779903646 ZWSVJCJQGSLAMA-UHFFFAOYSA-N 247.313 3.656 30 20 BHED COc1ccccc1CON=C[C@H]1CC[C@H](C)C1 800817837 VPJOHEGPJWQUMG-STQMWFEESA-N 247.338 3.634 30 20 BHED C[C@]1(c2ccccc2)CCC(=NOCC2CC2)C1 814244368 PWDBKNZLHHXJRH-INIZCTEOSA-N 243.350 3.911 30 20 BHED CC[C@H](C)CON=Cc1cccc2cc[nH]c12 814937719 BSFRZSXDBAHZFF-NSHDSACASA-N 230.311 3.565 30 20 BHED c1ccc(C[C@H]2CCC(=NOCC3CC3)C2)cc1 814941250 STINQRIAZIWJPM-OAHLLOKOSA-N 243.350 3.812 30 20 BHED C=CCC[C@@H](C)NC[C@]1(C)CC1(Cl)Cl 824773739 NIIIDYAJTXIDSE-ZJUUUORDSA-N 236.186 3.515 30 20 BHED CCC[C@H](CC(C)C)C(=O)OCC(C)(C)C#N 835284222 FMMMLBACNLUOME-GFCCVEGCSA-N 239.359 3.542 30 20 BHED CCCCCCCNC(=O)[C@@H](C)C1CCC1 862355944 QDNCBAIWFVKPJO-LBPRGKRZSA-N 225.376 3.509 30 20 BHED C=C[C@H](C)ON=C[C@H](C)c1ccc(C)cc1 863124123 QZTAXWFZEUUJDM-STQMWFEESA-N 217.312 3.675 30 20 BHED CCC(CC)=NNCc1ccccc1Cl 918153485 WOEPENDQVJEBHC-UHFFFAOYSA-N 224.735 3.606 30 20 BHED C=CCC[C@H](CC)N[C@@H]1CCCc2cccnc21 927060046 QCZDSSGKRPWOIQ-LSDHHAIUSA-N 244.382 3.793 30 20 BHED CC(C)(C)ON=C1CC[C@H]2CNc3cccc1c32 1324925097 QAAFLWXYOBLKFJ-JTQLQIEISA-N 244.338 3.509 30 20 BHED C[C@H](CCC#N)CN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 1560714433 LAELXPSXRWGKFO-FMKPAKJESA-N 248.414 3.827 30 20 BHED CC(C)CC[C@H](C)Nc1ccc(CC#N)cc1 37071357 LCMXSFXPLAGRPN-ZDUSSCGKSA-N 230.355 3.989 30 20 BHED C=CCSCc1ncc(-c2ccccc2)o1 41364270 KWDRQRXCQPVEMG-UHFFFAOYSA-N 231.320 3.761 30 20 BHED CCCN(CC#N)Cc1csc2ccccc12 70165660 GHBMGTBYJYTEMG-UHFFFAOYSA-N 244.363 3.637 30 20 BHED C[C@H]1CN(Cc2ccccc2C#N)c2ccccc21 71912930 HTHREIGAUBCDEL-ZDUSSCGKSA-N 248.329 3.682 30 20 BHED CC(C)c1cccc(OCC2(CC#N)CC2)c1 88259757 VMFWUSAEJAUNLL-UHFFFAOYSA-N 229.323 3.883 30 20 BHED CC[C@@H](C)CN(CC)Cc1ccc(C#N)cc1F 93250990 LPCBZQAHADJYSP-GFCCVEGCSA-N 248.345 3.565 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc(Cl)cc1 116907874 ZSTHDIWRNKYFEN-WDEREUQCSA-N 223.747 3.955 30 20 BHED C=CCCCC(=O)Nc1cc([C@@H](C)CCC)n[nH]1 175834648 ZOGGMVWFNBDOJT-NSHDSACASA-N 249.358 3.608 30 20 BHED CCCCCCCN[C@@H](COC)c1ccco1 184517261 WJAUJKWPGKSQIK-ZDUSSCGKSA-N 239.359 3.527 30 20 BHED CC(C)C(CN[C@H]1CCC[C@@H](C#N)C1)C(C)C 193341177 RASABDZYLQSQDX-KGLIPLIRSA-N 236.403 3.587 30 20 BHED CC(C)[C@H](C)Sc1nccc(C#N)c1Cl 232779748 LXUDHGMNPNKZQG-QMMMGPOBSA-N 240.759 3.743 30 20 BHED CCC1(CNc2snc(C)c2C#N)CCCC1 233028409 YWSVOTKOONBOSU-UHFFFAOYSA-N 249.383 3.706 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccc(Cl)cn1 281614405 NFXAPXWCVNZWHS-JQWIXIFHSA-N 238.762 3.740 30 20 BHED CCCN(CCCCF)Cc1ccc(C#N)cc1 286030287 PVIWTYROGUMFFL-UHFFFAOYSA-N 248.345 3.520 30 20 BHED C=CC[C@@H](CC)Nc1nc(C)c(C)s1 308576116 DLFKBLVXDIWFRQ-SNVBAGLBSA-N 210.346 3.527 30 20 BHED C=C(CC)CN[C@@H](c1ccccc1)C(F)(F)F 313482169 MHTHDDSREFMBND-LBPRGKRZSA-N 243.272 3.846 30 20 BHED CC(C)CNc1ccccc1SCCC#N 336651322 FDDVEVJWCFAMDU-UHFFFAOYSA-N 234.368 3.760 30 20 BHED C=CCC(C)(C)CN[C@H]1CCCc2occc21 336660123 RDKHFVMWNGWYDI-ZDUSSCGKSA-N 233.355 3.849 30 20 BHED CC1=C(C)CN(c2cc(Cl)ccc2C#N)CC1 383004663 ZPPOLJHVUBTTBW-UHFFFAOYSA-N 246.741 3.758 30 20 BHED CC1=CCC[C@@H](C)[C@@H]1CN(CCC#N)CC1CC1 443421976 ZAWWNWZTOKVZHO-GDBMZVCRSA-N 246.398 3.604 30 20 BHED C=CCCCN[C@H](Cc1ccccc1)C(C)C 448030774 SPMBJHCJNGDFFO-MRXNPFEDSA-N 231.383 3.810 30 20 BHED C=CC(C)(C)CNC(=O)C(C1CCC1)C1CCC1 452784423 OTRDIFHFBZQECR-UHFFFAOYSA-N 249.398 3.531 30 20 BHED CC[C@@H](CNCC(C)(C)CC#N)c1ccccc1 459736285 UONHSZZCUHXWAV-AWEZNQCLSA-N 244.382 3.710 30 20 BHED CC[C@H](C)CN(C)c1c(Cl)cccc1C#N 462831309 GZEPAIIXLBOXEI-JTQLQIEISA-N 236.746 3.694 30 20 BHED C=CCCCCNC(=O)C[C@@H](CC)C(C)C 471701647 QJJUVKJHTKMSPW-CYBMUJFWSA-N 225.376 3.531 30 20 BHED C=CC[C@H](C)NC(=O)CC1CCC(C)(C)CC1 503462292 BVJKMDRBVQTOCV-LBPRGKRZSA-N 237.387 3.674 30 20 BHED CC[C@@H](NCC1CC=CC1)c1ccc(C#N)cc1 527951564 QMMQHZBDLIWENY-MRXNPFEDSA-N 240.350 3.565 30 20 BHED C=CCN(Cc1ccc(Cl)s1)C1CCC1 552584399 DEWGRAXABCTHEN-UHFFFAOYSA-N 241.787 3.942 30 20 BHED N#CCCCSC[C@H]1CCCCC1(F)F 596391668 DTXSQIXVTOFBEY-SNVBAGLBSA-N 233.327 3.849 30 20 BHED C[C@@H](CCC#N)CN[C@H](c1ccccc1)C1CC1 602503819 RRINWHRIFCPZOZ-XJKSGUPXSA-N 242.366 3.667 30 20 BHED C=CCCCN1CCC[C@H]1c1ccc(OC)cc1 605149698 UOXGMGOXPCCBIP-INIZCTEOSA-N 245.366 3.798 30 20 BHED C=CCCN1C[C@@H](C)C[C@H]1c1ccccc1F 608502340 BIKQYTXTFSMCIG-WFASDCNBSA-N 233.330 3.785 30 20 BHED C=CCCN[C@H]1CCC[C@@H]1c1ccc(F)cc1 682088175 OEQMBQAJYWELIB-CABCVRRESA-N 233.330 3.628 30 20 BHED CC(CCc1ccccc1)=NNC1CCCC1 727652936 WTRMUKPBCFRKGF-UHFFFAOYSA-N 230.355 3.527 30 20 BHED CC(C)c1nc(C(=O)/C=C/c2ccsc2)co1 752883133 PCBVHMOOHKEUQC-ONEGZZNKSA-N 247.319 3.756 30 20 BHED C(CC[C@@H]1C[C@H]2CC[C@H]1C2)=NNc1ccccn1 768767672 LQAKSQLZXBEHPK-MCIONIFRSA-N 243.354 3.696 30 20 BHED C=CCN(Cc1sccc1Cl)C(C)C 787106001 XFRRKPKHTOXXBB-UHFFFAOYSA-N 229.776 3.798 30 20 BHED C/C=C\C[S@@](=O)CCCCCCCC 790140871 YQCJKQYEJGGGEM-KXQLTZBTSA-N 216.390 3.672 30 20 BHED C(=NOC1CCCC1)c1ccc2occc2c1 794921168 DJYPXYOBIHJCDZ-UHFFFAOYSA-N 229.279 3.726 30 20 BHED C#Cc1ccc(CNc2cccc(C)c2F)cc1 809602292 MBADIENJHGVBHF-UHFFFAOYSA-N 239.293 3.728 30 20 BHED Cl/C=C\CON=C[C@@H]1C[C@H]1c1ccccc1 811667675 AQNHNIBWBYQWAV-CATDZGEISA-N 235.714 3.545 30 20 BHED C#CC[C@H](NCC1(C)CCC1)c1ccccc1 814629520 PIBKNVMWIGLKAU-HNNXBMFYSA-N 227.351 3.531 30 20 BHED CCC(C=NOCC(F)(F)F)(CC)CC 814880148 SAFJNANCLGPONJ-UHFFFAOYSA-N 225.254 3.768 30 20 BHED Cc1cc(OCCC(F)=C(F)F)ccc1C#N 863327209 YZVNICCEVJSEDD-UHFFFAOYSA-N 241.212 3.713 30 20 BHED C=CCC(C)(C)CN[C@@H](c1ccccn1)C1CC1 903174712 MXHIUPZKENALPP-OAHLLOKOSA-N 244.382 3.725 30 20 BHED C=CCC[C@H]1CCCN1C(=O)[C@@H](C)CCCC 1337558369 PRLYKQYXHMSPQP-KBPBESRZSA-N 237.387 3.770 30 20 BHED CCN(Cc1cccc(C#N)c1)C1CCCCC1 19804723 PBTYUVYYTWNGDO-UHFFFAOYSA-N 242.366 3.713 30 20 BHED C[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2)[C@@H]1C 20556578 QEHGJPMOEIHGPA-JMSVASOKSA-N 228.339 3.795 30 20 BHED N#Cc1ccc(Cl)cc1NCc1cccs1 36954295 VTZSJZSHXAWRRD-UHFFFAOYSA-N 248.738 3.885 30 20 BHED CC[C@@H](Nc1ncccc1C#N)c1cccs1 49531319 ITCRNSNBIKSNTQ-LLVKDONJSA-N 243.335 3.578 30 20 BHED C=C(Cl)CNC1CCC(CCC)CC1 49545328 VGXPGOYCQKYKEL-UHFFFAOYSA-N 215.768 3.687 30 20 BHED CC[C@@H](CC#N)NC1CC(c2ccccc2C)C1 54183503 BRZJHMQGIBMASZ-SLTAFYQDSA-N 242.366 3.523 30 20 BHED C=CCCNc1ccccc1SC[C@H](C)C#N 77246006 MSAHBLLHERTDLE-GFCCVEGCSA-N 246.379 3.926 30 20 BHED CC(C)CCCCCCNCc1ccc(C#N)o1 135123959 WEHBMUZIOKGDGP-UHFFFAOYSA-N 248.370 3.847 30 20 BHED Cc1ccsc1CNc1cccc(C#N)c1C 181454736 SZAGRTQHZZNKKO-UHFFFAOYSA-N 242.347 3.849 30 20 BHED C=CCCCCCNc1ccccc1OC 234914216 ZKWZZPDTCNREBH-UHFFFAOYSA-N 219.328 3.854 30 20 BHED C[C@H]1C/C(=C\c2cccnc2)C(=O)c2ccccc21 255051221 IXLHVXAUGXHLNG-LQELWAHVSA-N 249.313 3.855 30 20 BHED N#C[C@@H]1CC[C@@H](N2CCC[C@@H]2c2cccs2)C1 278591580 LCAKJWRDZFSTOB-JHJVBQTASA-N 246.379 3.577 30 20 BHED C=CCSCc1c(F)cccc1Cl 308212199 GZSQAKLMCMPZMD-UHFFFAOYSA-N 216.708 3.898 30 20 BHED C=CCCCSC[C@@H](C)C(F)(F)F 308285005 YNSNTKDOPTVTLA-MRVPVSSYSA-N 212.280 3.884 30 20 BHED CCC1(CC)CCCN(CC2(C#N)CC2)CC1 346486503 KXDKXYCAPYRNKT-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=CC[C@@H](CC)Nc1ccnc(C(F)(F)F)c1 393807704 REZODMIYUCMRGA-SECBINFHSA-N 244.260 3.867 30 20 BHED CCC[C@@H]1[C@H](C)CCCN1CC1(C#N)CCC1 450559966 HAIWYDVGZWVQFE-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED C=CC[C@@H](CC)N[C@H]1CCc2ccc(F)cc21 500804411 GPKYHCJQWJMKEK-HIFRSBDPSA-N 233.330 3.757 30 20 BHED C=C(CC)CN[C@H](C)C(C)(C)c1ccccc1 540354990 VKFBHGLDZDYDKZ-CQSZACIVSA-N 231.383 3.909 30 20 BHED CC(C)(CC#N)CSc1ccc2[nH]ncc2c1 563440958 VYIVOXUXYUQMKZ-UHFFFAOYSA-N 245.351 3.595 30 20 BHED CC[C@H](C)CCN[C@H](C)c1ccc(C#N)c(F)c1 595072895 KCSAIXRHFMAHAX-NWDGAFQWSA-N 248.345 3.784 30 20 BHED CC(C)(C)[C@H]1CCN([C@@H](C#N)c2ccccc2)C1 595425120 JKWQHKZRQAFOOU-GJZGRUSLSA-N 242.366 3.619 30 20 BHED CCC[C@@H](CC)N[C@H]1CCc2cc(C#N)ccc21 618805845 PHQCCEICRLFUOI-ZBFHGGJFSA-N 242.366 3.714 30 20 BHED C=CCCCOC(=O)CCCc1cccs1 735525885 QDLWSXODLURBDD-UHFFFAOYSA-N 238.352 3.580 30 20 BHED COc1ccc([C@H](C)C(C)=NOCC(C)C)cc1 749626268 OQFXJDSSGMFAHX-GFCCVEGCSA-N 249.354 3.847 30 20 BHED COCCC(=NNc1cc(C)ccc1C)C(C)C 756824501 STCXEPSZZPYAJA-UHFFFAOYSA-N 248.370 3.764 30 20 BHED CC(C)CON=C[C@@H](C)c1ccc(F)cc1 756895110 HYDUSVDZTLVQBI-LLVKDONJSA-N 223.291 3.588 30 20 BHED CC(CC1CCC1)=NNc1cccc([N+](=O)[O-])c1 758358368 IYGSDLQEOWBFRJ-UHFFFAOYSA-N 247.298 3.573 30 20 BHED C#CCOc1ccc([C@H](C)N[C@H](C)CCC)cc1 764435435 NDYMATOMAGXMRM-KGLIPLIRSA-N 245.366 3.538 30 20 BHED CC(CCc1ccsc1)=NNC1CCCC1 764912465 VCHYARLEZNJXQE-UHFFFAOYSA-N 236.384 3.589 30 20 BHED CCCCCCCCOC(=O)C(C)(C)F 768637599 LICAKEKYPVGZPV-UHFFFAOYSA-N 218.312 3.638 30 20 BHED Fc1cc(NN=C2CCC[C@H](C3CC3)C2)ccn1 781132698 HIYIDGKJKOETDI-NSHDSACASA-N 247.317 3.589 30 20 BHED CC(C)[C@H]1CCCC(=NOC/C=C/Cl)C1 811670529 UVROHXYRCLLRAC-LWSFQBHXSA-N 229.751 3.958 30 20 BHED C[C@H](C=NOC1CCC1)c1cc(F)cc(F)c1 834978403 FTUQQMNQYKKJPE-SECBINFHSA-N 239.265 3.623 30 20 BHED CCc1cccc(C)c1NC(=O)C#CC(C)(C)C 837355885 JZLXVHDVCIGDNK-UHFFFAOYSA-N 243.350 3.545 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc(OC=C)cc1 837763811 DRHWXHQLXQOPMX-UHFFFAOYSA-N 245.322 3.750 30 20 BHED C=CCC[C@@H](C)OC(=O)/C(C)=C\c1ccco1 847672726 ZUSNJDTXEBBLMV-NLYDNYMLSA-N 234.295 3.581 30 20 BHED CCCCCCCCCNC(=N)N[C@@H](C)CC 849009808 REZLSOSQYOXWFW-ZDUSSCGKSA-N 241.423 3.649 30 20 BHED CCCC[C@@H](C)C(=O)O[C@H](C)CC(C)(C)C#N 851204112 JSKOVMGDBOZFIB-VXGBXAGGSA-N 239.359 3.684 30 20 BHED C=CC[C@@H]1CCCN(C(=O)/C(C)=C(/C)CC)C1 855438265 DKZSFVBDMGNNLT-WUFNSSIPSA-N 235.371 3.548 30 20 BHED C=CCN(C(=O)C(F)=C1CCCC1)C(C)(C)C 857650653 AZWSBBGMCXKGGW-UHFFFAOYSA-N 239.334 3.597 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1ccc(F)cc1C 929282054 GCVYLYVGRGGEJR-NSHDSACASA-N 235.302 3.675 30 20 BHED CC[C@@H]1CCC[C@H](C)N1Cc1ccc(C#N)s1 1327587232 DFGOSEJUQCZQCT-NWDGAFQWSA-N 248.395 3.773 30 20 BHED CC(C)(C)CNc1ccc(C#N)c(Cl)c1 41051228 HAAYEQLQDPEJNR-UHFFFAOYSA-N 222.719 3.670 30 20 BHED CN(CC(C)(C)C)c1ccc(Cl)cc1C#N 52859756 LKOYYFSHTGDQDS-UHFFFAOYSA-N 236.746 3.694 30 20 BHED C=CCSc1nc(Cc2ccccc2)c(C)[nH]1 58186720 PRSWIUXUIQIXBK-UHFFFAOYSA-N 244.363 3.587 30 20 BHED C=CCN(CC=C)Cc1c(C)cc(C)cc1C 65040898 NTZXCKDECQRSSN-UHFFFAOYSA-N 229.367 3.786 30 20 BHED CC[C@]1(C)CCCN(Cc2cc(C#N)cs2)C1 93459059 QPYKBXGVGPGQJQ-CQSZACIVSA-N 248.395 3.632 30 20 BHED CCC[C@H]1CCCN(Cc2cc(C#N)cs2)C1 93704809 UVSOOILGCXFSOD-LBPRGKRZSA-N 248.395 3.632 30 20 BHED C=CCC[C@@H](NCc1ccccc1)C1CC1 119820024 HYUYXXKHZRXSOP-OAHLLOKOSA-N 215.340 3.521 30 20 BHED C#CCCCCC(=O)NCC1(CC(C)C)CCC1 119992361 FIKXYPIYCCWWMM-UHFFFAOYSA-N 249.398 3.513 30 20 BHED C=CCCCC(=O)NC1(c2ccccc2)CCC1 175481572 ITAAUIHPEXHMRB-UHFFFAOYSA-N 243.350 3.538 30 20 BHED C=C(C)[C@H](NC(C)C)c1ccc(F)c(F)c1 186446923 OAOANKSRNVASTQ-ZDUSSCGKSA-N 225.282 3.580 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccccc1Cl 189754429 RRXUPXOEJYMKLZ-ZDUSSCGKSA-N 237.730 3.881 30 20 BHED CCCCCCCCCC(=O)N(C)C1CC1 195679227 GXTCYSBVBUZMKH-UHFFFAOYSA-N 225.376 3.748 30 20 BHED CCCCCCCCNC[C@@H]1CCSC1 224452781 CUWNLQWUDBNKRO-ZDUSSCGKSA-N 229.433 3.690 30 20 BHED C=C(C)CCNc1cc(F)ccc1Cl 231818284 NOUYYPUMKZEGDT-UHFFFAOYSA-N 213.683 3.857 30 20 BHED C[C@@H]1[C@@H](Nc2ccc(C#N)cc2)CCC[C@H]1C 252181959 QEHGJPMOEIHGPA-XUJVJEKNSA-N 228.339 3.795 30 20 BHED C=C(C)CCNc1cc(F)c(OC)cc1C 309839253 CFRSZWBYNVSLOC-UHFFFAOYSA-N 223.291 3.521 30 20 BHED C=CCC[C@@H](CC)NCC(C)(C)CCC#N 310039789 XJYQGCADGGPECV-CYBMUJFWSA-N 222.376 3.651 30 20 BHED C=CCOCCN[C@@H](CC(C)C)c1ccccc1 310640321 BBDZBMUCLGRULQ-INIZCTEOSA-N 247.382 3.566 30 20 BHED Cc1ccc(Cl)cc1N(C)CCCCC#N 339651298 LYDVWVGCTZCYFA-UHFFFAOYSA-N 236.746 3.779 30 20 BHED CC(C)(C#N)CCCCN1CC[C@@H]2CCC[C@@H]21 378743210 HZKMQZJJQJOJOY-KBPBESRZSA-N 234.387 3.581 30 20 BHED CCCCCCCN[C@@H](C)[C@H]1C[C@H]2CC[C@H]1O2 395371957 PFNXSLYAFJKHHB-GBJTYRQASA-N 239.403 3.502 30 20 BHED C=CCN(CCC#N)C[C@@H]1CCC[C@H](CC)C1 430112048 VZKCHBLPWNQTRT-LSDHHAIUSA-N 234.387 3.604 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 431247489 NWNDIFXRTPQSTO-YNEHKIRRSA-N 237.387 3.530 30 20 BHED C=C(C)CN[C@@H]1CCCC[C@H]1OCCC(C)C 436268778 VQKZBQXWXZHIOY-HUUCEWRRSA-N 239.403 3.526 30 20 BHED C=CCCN[C@@H](C)c1cccc(C2CC2)c1 451110201 DOLDGDCCIQMJBF-LBPRGKRZSA-N 215.340 3.791 30 20 BHED C=CC[C@H](CC)NC(=O)C1(CC)CCCCC1 466528054 GVFJLILUPDWNRB-ZDUSSCGKSA-N 237.387 3.818 30 20 BHED C=CCCCCCN1Cc2ccccc2C1 487914338 TXYMNDCXBPMGCZ-UHFFFAOYSA-N 215.340 3.749 30 20 BHED CCCCCCC[S@@](=O)CCCC 526867948 GDVTUOGQQPYJHM-ZDUSSCGKSA-N 204.379 3.506 30 20 BHED C=CCC[C@@H](C)Nc1cc(OC)c(C)c(OC)c1 556209659 MRNMXKVJYYDBDA-LLVKDONJSA-N 249.354 3.779 30 20 BHED CC(C)CC1(N[C@@H](C)c2ccc(C#N)cc2)CC1 595096258 XVWFITPQUBUUSD-ZDUSSCGKSA-N 242.366 3.788 30 20 BHED C=C(C)CSCc1ccc(F)cc1[N+](=O)[O-] 596349860 WAUXITZNSZGLMY-UHFFFAOYSA-N 241.287 3.543 30 20 BHED CC[C@@H](CSCCCC#N)CC(F)F 596396029 PBBMWSDCLPKLPV-SECBINFHSA-N 221.316 3.705 30 20 BHED C[C@@H]1CCCC[C@H]1Sc1cc(C#N)ccn1 600521017 SMOMLHHRTKLMDU-ZYHUDNBSSA-N 232.352 3.624 30 20 BHED C=CC1CCN([C@H](C)c2ccccc2F)CC1 600681578 XHDNEQZHIBEESN-GFCCVEGCSA-N 233.330 3.785 30 20 BHED CC(C)=CCC[C@@H](C)NC[C@H](C)CCC#N 602678575 GHJHRIDXQJHYGE-ZIAGYGMSSA-N 222.376 3.651 30 20 BHED C=CCSCCCOc1ccc(F)cc1 609633968 OHDLPMYLSZIRJT-UHFFFAOYSA-N 226.316 3.514 30 20 BHED C=CCCN[C@@H]1CC[C@](C)(c2ccccc2)C1 658113657 IETWNKYABZIROG-CVEARBPZSA-N 229.367 3.663 30 20 BHED C=C[C@@H]1CCCCN1Cc1cscc1Cl 683844416 VDNRUIBYOWXQQB-LLVKDONJSA-N 241.787 3.942 30 20 BHED CC[C@H](N[C@H](C)CC(C)(C)C#N)C1CCCC1 695875453 YVYCNVZUEGYJJX-OCCSQVGLSA-N 236.403 3.873 30 20 BHED Cc1ccc(C=NNc2ccccc2)cc1F 731486089 NJMMGRGKKXVDKK-UHFFFAOYSA-N 228.270 3.580 30 20 BHED C=C(C)CCOC(=O)c1cc2cc(C)ccc2o1 744303861 AYFTUNOQDILCDV-UHFFFAOYSA-N 244.290 3.864 30 20 BHED Cc1ccnc(NN=C2C[C@@H](C)C[C@@H](C)C2)c1 747763841 HJHZRIZHWPVEDV-TXEJJXNPSA-N 231.343 3.614 30 20 BHED C#CCCNc1ccccc1N1CCCCCC1 760288244 XAUUZUYBXKNYQQ-UHFFFAOYSA-N 242.366 3.502 30 20 BHED C#CCCN1CCCC[C@H]1c1ccc(C)cc1 760844212 NNUFBXRMZFSYKC-INIZCTEOSA-N 227.351 3.545 30 20 BHED CCCCCCCSCc1noc(CC)n1 764640945 ZLCVXBRVIMLYEM-UHFFFAOYSA-N 242.388 3.836 30 20 BHED C(=NOC1CCCC1)C1CCCCCC1 774609208 UQSIIGRSNRTJQW-UHFFFAOYSA-N 209.333 3.902 30 20 BHED CC(=NNc1cc(C)ccc1C)[C@H]1CCCOC1 779763894 WLVRTHOQNATUKT-AWEZNQCLSA-N 246.354 3.518 30 20 BHED C=CCCCCC[C@H](C)NC[C@@]1(C)CCCO1 793537513 ZSQBRDGRSJRWQQ-LSDHHAIUSA-N 239.403 3.670 30 20 BHED CCCC(CC)=NNc1nccnc1C1CCC1 807992631 IIIUYJFOEDBIES-UHFFFAOYSA-N 246.358 3.722 30 20 BHED Cc1cc(Cl)ccc1C=NOC1CCC1 812235759 AVEAMPTXERUWEQ-UHFFFAOYSA-N 223.703 3.551 30 20 BHED CC(C)CCC=NNc1ncnc2sccc12 814767259 FFEDOHDCSXNGNF-UHFFFAOYSA-N 248.355 3.525 30 20 BHED Cc1ccc(CON=Cc2cccc(F)c2)cc1 824217454 BDJNEEKSSICZCD-UHFFFAOYSA-N 243.281 3.685 30 20 BHED C=CC[C@@H]1CCCCC1=NNc1ccc(C)cn1 853300952 KHZWJZOLTVYLBD-CYBMUJFWSA-N 243.354 3.924 30 20 BHED CCC[C@@H](C)[C@H](C)OC(=O)C(C#N)(CC)CC 860677571 NMDBNRQCGAFHPS-NEPJUHHUSA-N 239.359 3.684 30 20 BHED CN(CCCCC1(C#N)CCC1)Cc1ccoc1 929328143 OWUYGXGHXWBXLE-UHFFFAOYSA-N 246.354 3.576 30 20 BHED CCC(C)(C)CC(=O)O[C@@H](CC#N)c1ccco1 1123369863 PVNQPIMNNUMUDX-LBPRGKRZSA-N 249.310 3.604 30 20 BHED C=C(C)CCC(=O)NC(C)(C)c1cccc(F)c1 1335807671 YKRSGBBRLVIYHU-UHFFFAOYSA-N 249.329 3.533 30 20 BHED CC[C@@H](C#N)S[C@H]1CCOc2ccccc21 1559385477 NAZXYLRTTWNJBA-GWCFXTLKSA-N 233.336 3.546 30 20 BHED CCCC(CCC)NCc1ccc(C#N)cc1 37748308 WXTDAOVZYBYZMC-UHFFFAOYSA-N 230.355 3.617 30 20 BHED CC1CCC(N(C)Cc2cccc(C#N)c2)CC1 42211418 WKESYJMIINFBCV-UHFFFAOYSA-N 242.366 3.569 30 20 BHED C=C(CC)CN[C@@H](C)CCc1ccccc1 85058121 KYQAIBZMBBXGPX-AWEZNQCLSA-N 217.356 3.564 30 20 BHED CCCCN(CCCC)CC1(CC#N)CC1 88259269 UIPDIZZQPRCSJV-UHFFFAOYSA-N 222.376 3.582 30 20 BHED Cc1ccc(Cl)cc1OCC1(CC#N)CC1 88729888 KMKKDABNAWEUMF-UHFFFAOYSA-N 235.714 3.721 30 20 BHED CC(C)(CCC#N)CNc1ccc(F)cc1F 119207752 JLAIHHMGWNVDGL-UHFFFAOYSA-N 238.281 3.707 30 20 BHED CCCCCSc1ccc(C#N)cc1 164640908 CTNGSBGPUHLHCD-UHFFFAOYSA-N 205.326 3.841 30 20 BHED C=CCCCC(=O)N(CC1CC1)C1CCCCC1 177812473 GBXYWFVJSQZAKS-UHFFFAOYSA-N 249.398 3.914 30 20 BHED C=CC1CCN(C(=O)C2(C)CCCCCC2)CC1 180757063 KZANNWOJGACQPJ-UHFFFAOYSA-N 249.398 3.772 30 20 BHED CC#CCCCC(=O)NC1CCC(CCC)CC1 185257568 MDVWDQXWYZCVKF-UHFFFAOYSA-N 249.398 3.655 30 20 BHED CCC1(CC)CCCN(CCCC#N)CC1 190409342 RJICEIKYQVRAQC-UHFFFAOYSA-N 222.376 3.582 30 20 BHED C=CCCC(=O)N(CC(=C)C)Cc1ccccc1 196053020 JDRYKPUZCYHELS-UHFFFAOYSA-N 243.350 3.558 30 20 BHED CC[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 246363365 LKNPWPFXGUSAQJ-KGLIPLIRSA-N 242.366 3.741 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc(C)c(C)c1O 273351787 BWOVKEWHSPSEIC-YPMHNXCESA-N 233.355 3.624 30 20 BHED C=C(Cl)CSCCCOC(C)(C)C 308141649 IXGWZYZCZPARIG-UHFFFAOYSA-N 222.781 3.677 30 20 BHED C=CC[C@@H](CC)NCc1cccc(Cl)c1 308970987 ZJWGPLRBWGWCAP-CYBMUJFWSA-N 223.747 3.784 30 20 BHED C=CCC[C@H](NCCCC)c1ccco1 309172594 LRYMDLXDHSJMFZ-LBPRGKRZSA-N 207.317 3.677 30 20 BHED C=CCN(CCC#N)C[C@@H](C)C1CCCCC1 339209564 BPQYZFPEZLSVEJ-CQSZACIVSA-N 234.387 3.604 30 20 BHED Cc1cccc(C)c1[C@H](C)NCCCCC#N 342479932 GNNUMYJLZPEEJS-AWEZNQCLSA-N 230.355 3.648 30 20 BHED C=CCC(C)(C)CNc1cccc(Cl)n1 379996118 JKBRDUIFEUPDBM-UHFFFAOYSA-N 224.735 3.749 30 20 BHED C=C(Cl)CN[C@H](C)c1ccc(F)cc1C 382314371 RCRSGCHGKXXISP-SNVBAGLBSA-N 227.710 3.537 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1cccs1 385054851 RWUDJJZRUCWBCE-JTQLQIEISA-N 209.358 3.611 30 20 BHED C=CC(C)(C)CNC1CCC(CSC)CC1 385556252 OAWTXSJRWIGZJS-UHFFFAOYSA-N 241.444 3.710 30 20 BHED C=C(C)CCN[C@H]1CCCc2ccc(OC)cc21 386725240 ACDGJGZFWFJRIU-INIZCTEOSA-N 245.366 3.628 30 20 BHED C=CCC[C@@H](CC)N[C@H]1CCC(C)(C)C1 389991496 ONQARPJVZJPSBD-OLZOCXBDSA-N 209.377 3.900 30 20 BHED C=CCC[C@H](NC[C@@H](C)C(F)(F)F)C1CC1 393802828 UJLOUCCHIATSJJ-KOLCDFICSA-N 235.293 3.519 30 20 BHED C=CCC(C)(C)C(=O)N1C[C@H](C)CCC[C@@H]1C 410520276 XXCBIMBAICKDSP-OLZOCXBDSA-N 237.387 3.626 30 20 BHED C[C@@H]1CN([C@H](C)c2cccc(C#N)c2)[C@@H](C)[C@H]1C 419335585 HXZOHKSLNYWKKG-ZOBORPQBSA-N 242.366 3.596 30 20 BHED C=CC[C@@H](C(=O)NC[C@H](C)CC)c1ccccc1 421596178 OYNJKDQVEOUKGE-UKRRQHHQSA-N 245.366 3.509 30 20 BHED C=CCN(C)CCc1cc(Cl)cc(Cl)c1 447270450 KJEPXUQJBRCVGG-UHFFFAOYSA-N 244.165 3.654 30 20 BHED C=C(C)CCNC(=O)C1(CC(C)C)CCCC1 448551136 SXSBPSPRLFXJMX-UHFFFAOYSA-N 237.387 3.675 30 20 BHED CCC[C@H]1[C@@H](C)CCCN1CC1(C#N)CCC1 450559959 HAIWYDVGZWVQFE-KBPBESRZSA-N 234.387 3.581 30 20 BHED C=C(C)CCN(C)CCc1ccc(Cl)cc1 509021071 HZOQQSKZGPDSBR-UHFFFAOYSA-N 237.774 3.781 30 20 BHED C=C(C)CCN(CCc1cccc(F)c1)C1CC1 509694320 ATCDUOPRLUVNIG-UHFFFAOYSA-N 247.357 3.799 30 20 BHED C=C(C)CCN1CCC[C@H]1c1cccs1 509839574 OEFRMJUUIMUUTO-LBPRGKRZSA-N 221.369 3.851 30 20 BHED C=CCCN1CC[C@@H](c2ccccc2)C[C@H]1C 520433352 SCNDHBAEQXFCSV-GDBMZVCRSA-N 229.367 3.831 30 20 BHED C=CCN(C(=O)[C@@H](C)CCC(C)(C)C)C1CC1 541594478 ZZVARTOUFWURCE-LBPRGKRZSA-N 237.387 3.626 30 20 BHED C=CCCCCN(CC)[C@@H]1CCOC(C)(C)C1 579315962 GTVJUESPQLZCNY-CQSZACIVSA-N 239.403 3.622 30 20 BHED C=CCS[C@@H]1CCCc2ccccc21 608801935 SLUGTUDLBFYUAX-CYBMUJFWSA-N 204.338 3.983 30 20 BHED N#Cc1ccc(S[C@@H]2C=CCCC2)cc1 609407014 VXCCMASVHVCFOH-GFCCVEGCSA-N 215.321 3.759 30 20 BHED C=CC[C@@H](CC)NCc1cc2ccncc2s1 657454575 AJLOQZARFVHKDC-GFCCVEGCSA-N 246.379 3.741 30 20 BHED CCCCCCCCC/C=C/C(=O)NCC 726883989 QUKLDRQUHUZJRA-OUKQBFOZSA-N 225.376 3.819 30 20 BHED CC(C)[C@@H](C)SCc1ccc(OCC#N)cc1 742460660 VPUSCEJXFCWGNZ-GFCCVEGCSA-N 249.379 3.867 30 20 BHED CCC(CC)NN=C1CC(C)(C)C[C@@H]1C 766019248 DXAWBKSNUPFCJF-JTQLQIEISA-N 210.365 3.577 30 20 BHED C=CCCCCC[C@H](C)NC[C@]1(C)CCOC1 793543636 VYWSUQHYVZJDPS-GJZGRUSLSA-N 239.403 3.528 30 20 BHED CCC1(C)CCC(=NNc2cccc(F)n2)CC1 795008111 WCDPDUBCXYIOJH-UHFFFAOYSA-N 249.333 3.979 30 20 BHED Cc1ccc(CC(=NOC2CCC2)C2CC2)cc1 812236420 MCPLTADHWNNTFY-UHFFFAOYSA-N 243.350 3.873 30 20 BHED C#CCCCCCC=NOCc1ccc(F)cc1 834969488 SILNMVQBLYAXEQ-UHFFFAOYSA-N 247.313 3.912 30 20 BHED C[C@@H](OC(=O)C1=CCC(C)(C)CC1)C(C)(C)C#N 835246445 VVNGEJZGJOPQNQ-LLVKDONJSA-N 249.354 3.604 30 20 BHED CC(C)(C)CCNN=C1CCC(F)(F)CC1 842529941 LXOKMTZJWNHXCE-UHFFFAOYSA-N 232.318 3.578 30 20 BHED CCC[C@H](Nc1nccc(C)c1C#N)C(C)(C)C 1163327581 WUIIUOFCGNXNKR-ZDUSSCGKSA-N 245.370 3.888 30 20 BHED C=C(Cl)CN1Cc2cccc(C)c2CC1(C)C 1170502170 XCIPWDFAEGGXHD-UHFFFAOYSA-N 249.785 3.884 30 20 BHED N#CCCCS[C@H]1CCc2c(F)cccc21 1326247424 ARQGEAZYSTXMCY-ZDUSSCGKSA-N 235.327 3.850 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)[C@H]1CC12CCCC2 1338296171 YGCNTLYCGFBELL-ZIAGYGMSSA-N 247.382 3.524 30 20 BHED C=C(CC(C)C)C(=O)Nc1ccc(F)cc1C 1520735568 OPCGURBJUWTNSO-UHFFFAOYSA-N 235.302 3.675 30 20 BHED CCC[C@@H]1[C@H](C)CCCN1CC1(CC#N)CC1 1644842552 JIPZUDDPPVGGMT-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED Cc1cc(SCc2cscn2)ccc1C#N 1656667095 OYQBOGFIDROUKB-UHFFFAOYSA-N 246.360 3.616 30 20 BHED C[C@@H]1CN(Cc2cccc(C#N)c2)c2ccccc21 71912927 DZKGJLGBJQTUFV-CYBMUJFWSA-N 248.329 3.682 30 20 BHED CC[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2)C1 83640185 QAYFZUFCEBZXPE-XJKSGUPXSA-N 242.366 3.617 30 20 BHED CC(C)CC[C@@H](C)NCc1cc(C#N)cs1 86500104 UWVDPHYSNMCPER-LLVKDONJSA-N 236.384 3.534 30 20 BHED C[C@@H](CNc1ccc(F)cc1C#N)C(C)(C)C 97635628 JXNBYHLTAXZNEZ-JTQLQIEISA-N 234.318 3.791 30 20 BHED C=C(C)CN(C)Cc1cccc2ccccc12 117565621 YRVWRVXLHNSXNP-UHFFFAOYSA-N 225.335 3.848 30 20 BHED C=C[C@@H](C)NCc1csc2ccccc12 130477847 GWNKPVFYDFULEC-SNVBAGLBSA-N 217.337 3.565 30 20 BHED CC[C@@H](SCCC#N)c1ccccc1 156606156 WGCXMWNHGQXERR-GFCCVEGCSA-N 205.326 3.785 30 20 BHED CCSCCS[C@@H](C#N)C1CCCCC1 185585005 YRCSYBNGTRSACO-LBPRGKRZSA-N 243.441 3.945 30 20 BHED C=CCN(C(=O)/C=C\c1ccccc1)C(C)(C)C 225047126 ZAJTUQJYVUCDER-QXMHVHEDSA-N 243.350 3.513 30 20 BHED Cc1ccc(C(=O)/C=C\c2cncs2)c(C)c1 254981403 YBZVDRIMFNNBLR-XQRVVYSFSA-N 243.331 3.656 30 20 BHED C=CC[C@H](CC)N[C@@H](C)CCc1ccco1 281618438 NMUISEVXIMODFU-STQMWFEESA-N 221.344 3.545 30 20 BHED C=CC(C)(C)C(=O)Nc1ccccc1SC 297893305 PMPXNBPPEMWWNK-UHFFFAOYSA-N 235.352 3.559 30 20 BHED CC(C)(C#N)CCCCN1C[C@H]2CCC[C@@H](C2)C1 306013221 XBZZRLQDIAIAKZ-GJZGRUSLSA-N 248.414 3.828 30 20 BHED C[C@H]1CCCC[C@]1(C)NCc1ccc(C#N)s1 308714178 NCKNWFBPPRAKOF-FZMZJTMJSA-N 248.395 3.678 30 20 BHED C=CCC(C)(C)CN[C@H](C)CCC1CC1 378772444 CTCGBTWDPZNLNP-GFCCVEGCSA-N 209.377 3.757 30 20 BHED C=CCCCCN[C@@H](C)c1cc(F)ccc1O 383469257 PCCUFEHZTKNGBM-NSHDSACASA-N 237.318 3.538 30 20 BHED C[C@H](SCCC#N)c1ccc2c(c1)CCC2 413011436 CPHFGQBGUIEHOS-NSHDSACASA-N 231.364 3.883 30 20 BHED C=CCOCCSCc1sccc1Cl 419522514 UKZJKVSKHMEPPR-UHFFFAOYSA-N 248.800 3.837 30 20 BHED C=CCC[C@@H](NC[C@@H]1CCC(F)(F)C1)C1CC1 430749103 SXJNVURMNDJAAF-DGCLKSJQSA-N 243.341 3.756 30 20 BHED C[C@H](F)CCN[C@H](CCCC#N)c1ccccc1 433023041 ZAQHHOGVMYIFEN-DZGCQCFKSA-N 248.345 3.759 30 20 BHED C=CCC1(C(=O)N(C)C2CCCCC2)CCCC1 449262318 CIMWSFNTDQLNSN-UHFFFAOYSA-N 249.398 3.914 30 20 BHED C=CCC1(C(=O)N2C[C@H](C)[C@@H](C)C2)CCCCC1 449999333 MGJZBOBKFHNLLS-KBPBESRZSA-N 249.398 3.627 30 20 BHED C=CC(C)(C)CNC(=O)[C@H]1CCC[C@H]1CCC 452779260 AZIHVUULYHNXIP-OLZOCXBDSA-N 237.387 3.531 30 20 BHED C=CCCc1noc([C@H](CC)CC(F)(F)F)n1 453216494 HFQMRHNFMMZOCF-MRVPVSSYSA-N 248.248 3.634 30 20 BHED CCCC[C@H](CC)CN[C@@H]1CCC[C@H](C#N)C1 463285058 SRJZQZMEYYTLBM-SOUVJXGZSA-N 236.403 3.875 30 20 BHED C=CCCN(C)[C@@H]1CCc2c(Cl)cccc21 467298955 QNTWQUPZINCBGV-CQSZACIVSA-N 235.758 3.835 30 20 BHED C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[C@@H]1C 467948865 MHQVBZSXVCJVQT-KCQAQPDRSA-N 237.387 3.531 30 20 BHED C=CCOCCCN1CCC=Cc2ccccc21 470874760 SXJVDBBNJLIWPG-UHFFFAOYSA-N 243.350 3.503 30 20 BHED C=CCCCCSCC[C@H]1CCCO1 521591752 PIISZUAXALDJAL-GFCCVEGCSA-N 214.374 3.645 30 20 BHED CC#CCN(CC1CCC1)[C@H](C)c1ccccc1 525121648 XTOHQRCRNJAGIH-OAHLLOKOSA-N 241.378 3.873 30 20 BHED C=C(CC)CN1CCC[C@@H]1c1cccc(OC)c1 539095066 PAQHHARRMCYIJA-MRXNPFEDSA-N 245.366 3.798 30 20 BHED C=CCc1ccccc1OCCSCC 540873862 RNXRLTVEBPRNGP-UHFFFAOYSA-N 222.353 3.547 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 543617323 SJBBZFQIOKZLRQ-BFHYXJOUSA-N 239.403 3.524 30 20 BHED C[C@H](C1CCCCC1)N(C)CCC(C)(C)C#N 548929358 SGEIKNALCUFERF-CYBMUJFWSA-N 236.403 3.827 30 20 BHED C=CCOCCOc1cc(C)c(Cl)c(C)c1 576414015 HKHDNDWJQSFEOK-UHFFFAOYSA-N 240.730 3.538 30 20 BHED CC(C)(O)CCSCCCCC(C)(C)C#N 578378546 IARQVGDCQSNCAL-UHFFFAOYSA-N 243.416 3.601 30 20 BHED C1COCCC(=NOCCCC2CCCC2)C1 588398490 ICHWYXFGNCRJCM-UHFFFAOYSA-N 239.359 3.530 30 20 BHED N#Cc1ccc(CNC2CCCCC2)cc1Cl 619748381 CMGXQXFAAOHOSH-UHFFFAOYSA-N 248.757 3.634 30 20 BHED CC(C)C(C)(C)CN[C@H](C)CC(C)(C)C#N 695815800 LUXPQIZAOMNTPB-GFCCVEGCSA-N 224.392 3.587 30 20 BHED C=CCN(CC=C)C(=O)CCCCCC(C)C 747874034 MSMIUZXQDBRYFM-UHFFFAOYSA-N 237.387 3.794 30 20 BHED C=C[C@H](C)NC(=O)C=C1CCC(C(C)(C)C)CC1 765849534 XVTVYRDFKKFDDK-NBFOIZRFSA-N 249.398 3.840 30 20 BHED CCON=C(C)C12CC3CC(CC(C3)C1)C2 767463207 RMKQRHSEIMYXPO-UHFFFAOYSA-N 221.344 3.615 30 20 BHED CCON=C(C)c1cc2cc(Cl)ccc2o1 767464897 UCFJFBRAOXLEAQ-UHFFFAOYSA-N 237.686 3.847 30 20 BHED C=CCCOC(=O)c1cccc2ccsc12 767636870 VNACUUGSEWXOCJ-UHFFFAOYSA-N 232.304 3.634 30 20 BHED CCC(CC)CNN=C(C)CSC(C)(C)C 774459052 AMRGOQKARVGIJA-UHFFFAOYSA-N 244.448 3.920 30 20 BHED C=C(Cl)CSc1ccc([N+](=O)[O-])cc1F 779361935 XOKGLICBHCAEQM-UHFFFAOYSA-N 247.678 3.579 30 20 BHED CCC[C@H](C)C(CC)=NNCCC(F)(F)F 794545585 MPSCKYSDJMNBLI-VIFPVBQESA-N 238.297 3.731 30 20 BHED C#Cc1ccc(CNc2ccc3c(c2)CCC3)cc1 809425049 SDBKXLKPASRZSG-UHFFFAOYSA-N 247.341 3.769 30 20 BHED C[C@@H]1CC(=NOC/C=C\Cl)C[C@H](C)C1 811668529 PHIGCQBXGOEKSS-XZOCYHKMSA-N 215.724 3.568 30 20 BHED Cl/C=C/CON=Cc1ccccc1C1CC1 811670690 YWVGJVPJKLDIOZ-QVTWJKLESA-N 235.714 3.667 30 20 BHED CC(C)ON=C[C@@H](C)c1cccc(Cl)c1 835001679 ILLRYHNDBPFCHK-SNVBAGLBSA-N 225.719 3.854 30 20 BHED C=C[C@@H](C)ON=C1CCC[C@H](c2cccnc2)C1 844626496 WLKVOXCVYSSOTN-OLZOCXBDSA-N 244.338 3.686 30 20 BHED C#CCCCCN[C@H]1CCCC[C@H]1CC=C 850444765 LKPZKIVVZIYVGK-CABCVRRESA-N 219.372 3.514 30 20 BHED CCC(=NNc1ccc(Cl)cn1)[C@@H]1C[C@H]1C 853434085 AYDXIYNPZKGBDB-PSASIEDQSA-N 237.734 3.569 30 20 BHED C#CCCCCC(=O)N1CCC[C@@H](C)[C@@H]1CCC 120219871 HSUQJZUQFMEECY-CABCVRRESA-N 249.398 3.607 30 20 BHED C=CCC(CC=C)C(=O)N1CCCC[C@H]1C(C)C 150727211 PRRCKKAAEJMFFA-HNNXBMFYSA-N 249.398 3.792 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCCc2sccc21 161649223 HQLCSBPLHPDACU-ZYHUDNBSSA-N 221.369 3.680 30 20 BHED CCCc1nc(CSCCCC#N)cs1 190908945 SEQMGQSMRNIUHL-UHFFFAOYSA-N 240.397 3.633 30 20 BHED CC(C)CC(C)(C)CNCc1ccc(C#N)cc1 236660927 UCNIDNWDGFHKBB-UHFFFAOYSA-N 244.382 3.720 30 20 BHED C[C@@H]1[C@@H](NCc2ccc(C#N)s2)CCC[C@H]1C 247320884 LEQOSLCFYBCFRG-SUNKGSAMSA-N 248.395 3.534 30 20 BHED Cc1cccc([C@H](C)NCCC(C)(C)C#N)c1C 272002340 HYQHBUSPJLRMLK-AWEZNQCLSA-N 244.382 3.894 30 20 BHED N#C[C@H]1CC[C@@H](Sc2nc3ccccc3o2)C1 278537236 JHRFMXASTLDJQD-VHSXEESVSA-N 244.319 3.612 30 20 BHED C=CC[C@H](CC)NCc1cc(C)sc1C 308912139 FAEYEMAMFRUBFF-ZDUSSCGKSA-N 223.385 3.809 30 20 BHED CC(C)(C)CCCCNc1ccnc(C#N)c1 341972497 NTVSSVJEOZXEKG-UHFFFAOYSA-N 231.343 3.582 30 20 BHED C=C(CC)COc1ccc2ncccc2c1 358654511 KBUZQNHQCQPMIX-UHFFFAOYSA-N 213.280 3.580 30 20 BHED N#CCCSCc1cc(F)ccc1Cl 413008926 AQANATBGYNQLCX-UHFFFAOYSA-N 229.707 3.626 30 20 BHED C=CC(C)(C)C(=O)Nc1ccccc1C(F)F 425643753 FMUWSIIPYORPFZ-UHFFFAOYSA-N 239.265 3.775 30 20 BHED C=C1CCN(C(=O)CC2CCCCCC2)CC1 426738222 UKDFPHHWWBJBQV-UHFFFAOYSA-N 235.371 3.526 30 20 BHED C=CCCN(C)CC(C)(C)c1ccc(C)cc1 441373276 DOJYVATXLUOBCQ-UHFFFAOYSA-N 231.383 3.781 30 20 BHED CC(C)=CCC[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 449443042 OWEFRZZXVPWFHS-SOUVJXGZSA-N 234.387 3.793 30 20 BHED C=CCC[C@@H](CC)NC[C@H]1CCCC1(F)F 449496402 PZIGAPADXOGTPD-VXGBXAGGSA-N 231.330 3.756 30 20 BHED C=CCCc1noc([C@@H](C)SCCCC)n1 453249843 VQMYIWFCKBISMJ-SNVBAGLBSA-N 240.372 3.783 30 20 BHED C[C@H]1CC[C@H](C)N1CC#Cc1ccc(Cl)cc1 466656433 AXHUNPPLNYLPIQ-STQMWFEESA-N 247.769 3.564 30 20 BHED C=CCOCCCSc1ccc2c(c1)CCC2 475953464 DTBNWYXPBNYVJJ-UHFFFAOYSA-N 248.391 3.860 30 20 BHED C=CCSCc1ccc(Cl)cc1OC 479594848 WSJRRRJTQPFQBR-UHFFFAOYSA-N 228.744 3.768 30 20 BHED C=C[C@H]1CCCCN1C/C=C/c1ccccc1 489433460 UJFYFCPSSGNPCK-KXKDPZRNSA-N 227.351 3.740 30 20 BHED C=C(C)CSCc1ccc(F)c(F)c1 497201946 XDCDHXKOXMMNKY-UHFFFAOYSA-N 214.280 3.774 30 20 BHED C=C(C)CN1CCC[C@@H]1/C=C\c1ccccc1 505833658 QKGKFXXRVUBUHZ-BLIJAFNYSA-N 227.351 3.740 30 20 BHED C=C(C)CCc1noc(C=C(CC)CC)n1 508664899 KMCRJBFVQOXAKP-UHFFFAOYSA-N 220.316 3.782 30 20 BHED C=CCCCOc1ccc2c(c1)CCC2 525358139 ZGHFIAIQCMNQGT-UHFFFAOYSA-N 202.297 3.520 30 20 BHED C=C(CC)CN(CC)Cc1cccc(F)c1 540193224 GVROWGWDSWNPOQ-UHFFFAOYSA-N 221.319 3.614 30 20 BHED C[C@@H](CN(CCC#N)CC1CC1)C1CCCCC1 581614804 JFNYQKUGBDRVTR-AWEZNQCLSA-N 248.414 3.828 30 20 BHED C=CCC(C)(C)C(=O)NCCCCC(C)(C)C 581621278 JWNQFXDGPRNUMJ-UHFFFAOYSA-N 239.403 3.921 30 20 BHED CC[C@H](C)CCN[C@@H](C)c1cccc(C#N)c1 594714109 XTFRXEZDMSKOQK-STQMWFEESA-N 230.355 3.645 30 20 BHED C=CCCCOc1ccc([N+](=O)[O-])cc1Cl 609786946 HTCUVJRPEKUIOG-UHFFFAOYSA-N 241.674 3.593 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC2(C)C)C1 617780117 OLYGVHFKRORAMZ-KGLIPLIRSA-N 249.398 3.627 30 20 BHED C=CC[C@@H](CC)Nc1ncnc2ccc(F)cc12 685038679 LSGWBKJGRAGASS-LLVKDONJSA-N 245.301 3.536 30 20 BHED Cc1cccc(NN=Cc2sc(C)nc2C)c1 736428606 JPVIIWJMVAADTJ-UHFFFAOYSA-N 245.351 3.514 30 20 BHED CC/C=C\CCNc1cc(C#N)ccc1NCC 767606622 BAORORGAWVHPDL-WAYWQWQTSA-N 243.354 3.758 30 20 BHED C#CCCCCN[C@H](CCC)Cc1ccccc1 773041986 VGDFOSLATCJFNR-QGZVFWFLSA-N 243.394 3.791 30 20 BHED Cc1cc(C=NN[C@@H]2CCCCC2(C)C)c(C)[nH]1 773125562 PMICYHNUXQDDOD-CQSZACIVSA-N 247.386 3.524 30 20 BHED CCCCC(C)=NNc1cc(Cl)ccn1 777906812 OGHCYIMMVNMZCW-UHFFFAOYSA-N 225.723 3.713 30 20 BHED CC(=NNc1ccnc(F)c1)C1CCCCC1 781129793 KNSYTCGTYPYPAT-UHFFFAOYSA-N 235.306 3.589 30 20 BHED CC[C@@H](C)NN=C(C)c1csc(Cl)c1 790183154 PHPFNAUQJOKFFG-SSDOTTSWSA-N 230.764 3.514 30 20 BHED CCCNc1ccc(C#N)cc1NCC1CCC1 795267115 UQEYFTMFKAFLLR-UHFFFAOYSA-N 243.354 3.592 30 20 BHED CC[C@H]1CC[C@@H](C)CC1=NNc1ccccn1 797399887 IDKMZQMLFFAREF-NEPJUHHUSA-N 231.343 3.696 30 20 BHED COc1ccccc1CON=CCC(C)(C)C 799117296 IPWHIYYITUTBJA-UHFFFAOYSA-N 235.327 3.634 30 20 BHED C=CCCCCOC(=O)CCc1ccccc1 811009797 AJXQFPLRFAEYBA-UHFFFAOYSA-N 232.323 3.519 30 20 BHED CC[C@@H]1CCC[C@@H](C=NOC/C=C\Cl)C1 811671803 XFXSQUXBPHCIOB-SDTITYAFSA-N 229.751 3.958 30 20 BHED CON=C(C)Cc1c(Cl)cccc1Cl 814795744 LRKNEYSMLMFHCV-UHFFFAOYSA-N 232.110 3.558 30 20 BHED C=CCCCCSc1ccc(Cl)nn1 828965857 XUELSFLTIMLNRE-UHFFFAOYSA-N 228.748 3.578 30 20 BHED Cc1ccc(S[C@@H]2CC[C@@H](C#N)C2)s1 830058009 XRNKLCVOABXMFP-NXEZZACHSA-N 223.366 3.841 30 20 BHED CC(C)(C)CCNN=C1CCCC12CCC2 834973972 QHVYPYKSBWVSRG-UHFFFAOYSA-N 222.376 3.722 30 20 BHED CC(=NOC(C)C)c1ccc2ccccc2c1O 835003883 GEEQDPKRFUWSSW-UHFFFAOYSA-N 243.306 3.694 30 20 BHED CCCON=C(C)CCCC(F)(F)F 842555283 VWZDDXGQRSTHDV-UHFFFAOYSA-N 211.227 3.522 30 20 BHED C[C@@H](CC(C)(C)C#N)OC(=O)C[C@@H]1C=CCCC1 851205370 FRQIVAIPVLMVHK-QWHCGFSZSA-N 249.354 3.604 30 20 BHED C#CCCCSC[C@@H]1CCCCC1(F)F 853770881 QOOIIRGZDXEAJG-NSHDSACASA-N 232.339 3.959 30 20 BHED C=CC(C)(C)CC(=O)O[C@H](C)c1cnccc1C 892923382 PWNSNHWIADOTDG-GFCCVEGCSA-N 247.338 3.597 30 20 BHED CC(CCC(C)C)=NNc1ccc([N+](=O)[O-])cc1 916245091 UGYKVRFNGBMFNN-UHFFFAOYSA-N 249.314 3.819 30 20 BHED C[C@@H]1CCCCC1=NNc1nc2ccccc2[nH]1 5070859 BPOAICCYARPGCI-SNVBAGLBSA-N 242.326 3.541 30 20 BHED CC(C)[C@@H]1CCCN(c2ccc(C#N)cc2)CC1 71029187 CZJHZRIZXZLHAY-OAHLLOKOSA-N 242.366 3.821 30 20 BHED CCc1ccc(CN(CCC#N)CC(C)(C)C)o1 93101184 QZTOCUHJMXQIHZ-UHFFFAOYSA-N 248.370 3.604 30 20 BHED CCN(Cc1ccc(F)cc1C#N)[C@H](C)C(C)C 103227120 XNPXPVCRWMXFMR-GFCCVEGCSA-N 248.345 3.564 30 20 BHED CSc1ccc([C@@H](C)NCC(C)(C)C#N)cc1 122216060 DPDDFDTZNVKRKD-LLVKDONJSA-N 248.395 3.609 30 20 BHED CC(C)CC(C)(C)CN[C@@H]1CCC[C@@H](C#N)C1 185853615 IVLYCVAFRNWFAP-ZIAGYGMSSA-N 236.403 3.731 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H](C)CCCCC 190090835 HEOBYTFCXQJPOY-GXTWGEPZSA-N 225.376 3.674 30 20 BHED C=C(C)CCNc1ccc(Cl)c(OC)c1 232200571 OZCPBFHTLURYSV-UHFFFAOYSA-N 225.719 3.727 30 20 BHED C[C@@H]1C[C@@H](C)CN([C@H](C)c2ccc(C#N)cc2)C1 246268512 AXGHDBGWHKLVRX-MGPQQGTHSA-N 242.366 3.597 30 20 BHED C[C@H](N[C@H](C)CCC#N)c1ccccc1Cl 276322503 OZKPZOKSLCZNMK-MNOVXSKESA-N 236.746 3.683 30 20 BHED C=C(Cl)CN[C@@H]1C[C@@H](C)CC[C@H]1CC 308738709 NCSFAPQNEUOKDQ-MVWJERBFSA-N 215.768 3.543 30 20 BHED C=CCC[C@H](NCC1CC(C)(C)C1)C1CC1 309419908 JSJMYUQUPQBVOH-AWEZNQCLSA-N 221.388 3.757 30 20 BHED CC1(C#N)CCC(N[C@H]2CCCC2(C)C)CC1 336205316 RXDLVLUDQJGRLE-OWYJLGKBSA-N 234.387 3.627 30 20 BHED C=CCC1(C(=O)N2CCC[C@@H](C)[C@@H]2C)CCCC1 410515683 QFSOROFKCQMXFT-KGLIPLIRSA-N 249.398 3.770 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 431247487 NWNDIFXRTPQSTO-RWMBFGLXSA-N 237.387 3.530 30 20 BHED CC(C)CC1(CNC2CCC(C)(C#N)CC2)CC1 449197102 ZQYNXNKINMVXIZ-UHFFFAOYSA-N 248.414 3.875 30 20 BHED CC(C)[C@@H]1C[C@H]1CN[C@H](C)c1ccc(C#N)cc1 453361196 QSXDGJZHVNSVPD-KCXAZCMYSA-N 242.366 3.501 30 20 BHED C[C@H](CCC#N)CNc1cccc2cccnc12 602519062 UYTLEZPJJVPGBQ-GFCCVEGCSA-N 239.322 3.587 30 20 BHED C[C@H](CCC#N)CNc1ccc2cnccc2c1 602687255 JAKJAYOCNKTTSO-GFCCVEGCSA-N 239.322 3.587 30 20 BHED CCCN(CCC)[C@@H](C)c1ccc(C#N)cc1 604492868 LKAAJNYNGQVTTA-ZDUSSCGKSA-N 230.355 3.741 30 20 BHED CC1(C)CCC[C@H](N[C@@H]2CCC[C@H](C#N)C2)C1 618577538 LOOPPLLLJZALCR-MJBXVCDLSA-N 234.387 3.627 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H]1C[C@@]1(C)C(C)C 620857018 JOYXTJPZHAMBBF-DOMZBBRYSA-N 237.387 3.530 30 20 BHED C=CCCC(C)(C)NC(=O)C[C@H]1CCC[C@@H]1C 620857742 IEKVQGASABSDGF-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=CCC(CC=C)C(=O)N(CC=C)C(C)(C)C 622944477 UPOHFFNWFWMSEU-UHFFFAOYSA-N 235.371 3.568 30 20 BHED C=C(C)CCNC(=O)C[C@@H](C)CC(C)(C)C 650931183 VUIOUVIGXJHLND-GFCCVEGCSA-N 225.376 3.531 30 20 BHED N#CCC[C@@H](C#N)CNc1ccc2ccccc2c1 732917721 FVBQOGOISZXOCR-ZDUSSCGKSA-N 249.317 3.695 30 20 BHED CCCCNN=C(CC)c1ccc(Cl)s1 733203761 ZECRYWSSYMKEIS-UHFFFAOYSA-N 244.791 3.905 30 20 BHED C=C(C)COC(=O)C[C@@H](C)c1ccccc1C 734905651 HKKGMPODXAHPLE-CYBMUJFWSA-N 232.323 3.608 30 20 BHED C#CCCCSC[C@H](C)c1ccccc1 778045116 NQAXUNMJMDUALA-ZDUSSCGKSA-N 218.365 3.937 30 20 BHED CC1=CCC[C@H](C)[C@H]1C=NNc1ccnc(F)c1 781134194 VRNDNDBXGNNRII-AAEUAGOBSA-N 247.317 3.611 30 20 BHED C=CCC1(C(=O)OCC/C=C\CC)CCC1 791561530 YPAUENRCSCRILC-WAYWQWQTSA-N 222.328 3.632 30 20 BHED C#CCON=C1CCCC[C@H]1C1=CCCCC1 814936283 IPDCIUICNFDYTG-AWEZNQCLSA-N 231.339 3.683 30 20 BHED C=C[C@H](CC)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 826777113 QGHLABMWKHZCRO-ILXRZTDVSA-N 249.398 3.770 30 20 BHED N#C[C@@H]1CCC[C@H](OC(=O)CC2=CCCCC2)C1 839049731 KMMYUDNTCTZQDD-KGLIPLIRSA-N 247.338 3.502 30 20 BHED Cc1ccc(NN=C2CCC[C@@H]3C[C@H]23)cc1 841604879 SQVZEPRTIDNCLU-YPMHNXCESA-N 214.312 3.583 30 20 BHED CCC(=NNc1ncccc1Cl)[C@@H]1C[C@@H]1C 841620404 WKMDIQFHZURQDW-DTWKUNHWSA-N 237.734 3.569 30 20 BHED CC[C@H](C#N)Sc1nc(C(C)C)cs1 845329735 CILPHDVWKFWMEZ-MRVPVSSYSA-N 226.370 3.661 30 20 BHED C#CCCCSCCc1noc2ccccc12 848667237 JNZQUMYUFDHHBW-UHFFFAOYSA-N 245.347 3.517 30 20 BHED C=CC[C@@H](C)NC(=O)c1cc(C(C)(C)C)oc1C 933037826 BARNDTANXRHRLP-SNVBAGLBSA-N 249.354 3.580 30 20 BHED Cc1csc(-c2nnc(C#CC(C)(C)C)o2)c1 1118974022 DPZAGOPJJVBJLC-UHFFFAOYSA-N 246.335 3.504 30 20 BHED C[C@@H](C=NOC(C)(C)C)c1ccccc1 1324557228 BWHTZNOVNCHDFB-NSHDSACASA-N 205.301 3.591 30 20 BHED CC(C)(C)ON=C1CCSc2ccccc21 1324557856 HTWLXELKWGYLPD-UHFFFAOYSA-N 235.352 3.702 30 20 BHED C=CCC[C@H]1CCCN1C(=O)[C@@H](C)C1CCCC1 1339278234 APAMCZILOTXYQK-ZFWWWQNUSA-N 249.398 3.770 30 20 BHED C=C(C)CCC(=O)Nc1cscc1Cl 1340646501 FLNBQFCMRBJJFE-UHFFFAOYSA-N 229.732 3.696 30 20 BHED CC(C)(CCC#N)CN1CCC[C@@H]1C1CCC1 92781365 UULWQHABBRXWKU-CQSZACIVSA-N 234.387 3.581 30 20 BHED C=CCCC(=O)N1CCC2(CCCCC2)CC1 102302224 JLTNZUIEOSKTDB-UHFFFAOYSA-N 235.371 3.526 30 20 BHED CS[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2)C1 117327855 HCLBDFURJUDHGJ-UONOGXRCSA-N 246.379 3.644 30 20 BHED CC[C@H](C#N)N[C@H](CCC(C)C)C(C)(C)C 122239186 WSJCSBJEXWMIBU-CHWSQXEVSA-N 224.392 3.729 30 20 BHED C=CCCN[C@@H]1CCCC[C@H]1C(C)(C)C 125395490 DECSCWYUNBPBAW-CHWSQXEVSA-N 209.377 3.757 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 132683595 AIXMDOZTUZMCMG-CHWSQXEVSA-N 233.355 3.699 30 20 BHED CC#CCCS[C@@H](C)c1cccs1 155300605 WUAGGUMGCGOSOA-JTQLQIEISA-N 210.367 3.956 30 20 BHED CC(C)CC(C)(C)C(=O)Nc1ccc(C#N)cc1 177042864 OAUBTWDOTAQDEM-UHFFFAOYSA-N 244.338 3.569 30 20 BHED N#C[C@H]1CCC[C@@H](NCc2ccccc2Cl)C1 185759082 GVLMBKLIICLNCW-WCQYABFASA-N 248.757 3.512 30 20 BHED C=CCCCCCN[C@@H](C)c1nccs1 194359026 GVHWVHMPJBILQV-NSHDSACASA-N 224.373 3.540 30 20 BHED Cc1cc(C(=O)/C=C/c2ccccc2)ccc1O 196195748 SHPMQNTYESNIQW-VQHVLOKHSA-N 238.286 3.597 30 20 BHED Cc1ccsc1/C=C\C(=O)c1ccc(O)cc1 212533078 QBWIVYNWQHIHLI-SREVYHEPSA-N 244.315 3.658 30 20 BHED C#CCCCCN[C@H]1CCC[C@H](C(C)C)C1 232736437 PHCPSAOCTZJYKB-GJZGRUSLSA-N 221.388 3.594 30 20 BHED Fc1ccccc1C=NOCc1ccccc1F 255357732 KQRMZALHOKYWIZ-UHFFFAOYSA-N 247.244 3.516 30 20 BHED Cc1cc(COc2ccccc2C)ccc1C#N 260825097 PFVVVEGMOAFCRL-UHFFFAOYSA-N 237.302 3.754 30 20 BHED CC[C@H](CC#N)N[C@H]1CCC[C@@H]1c1ccccc1 274391390 VTGZXYVHYCFYNN-OAGGEKHMSA-N 242.366 3.605 30 20 BHED Cc1c(Cl)cccc1N[C@H]1CC[C@@H](C#N)C1 309611751 AINDVCMRRYQEDO-MNOVXSKESA-N 234.730 3.753 30 20 BHED CCCC[C@H](CCC)N[C@H]1CC[C@H](C#N)C1 309994758 BULARWMSKQIAHS-IHRRRGAJSA-N 222.376 3.627 30 20 BHED C=C[C@H](C)N[C@@H]1C[C@@H](C)Sc2sccc21 336665746 MEMDXQGCIQAXPL-IQJOONFLSA-N 239.409 3.838 30 20 BHED Cc1nc(Sc2ccc(F)cc2)ccc1C#N 336722742 TULPREWZGZPGRW-UHFFFAOYSA-N 244.294 3.552 30 20 BHED C[C@H](c1ccccc1Cl)N(C)CC1(C#N)CC1 343143356 WSJODHZERCSOFT-LLVKDONJSA-N 248.757 3.637 30 20 BHED C=CCC[C@H](C)NCC1(C(F)(F)F)CCC1 381480320 SKSIXKLYSLSLGD-JTQLQIEISA-N 235.293 3.663 30 20 BHED CCCCCCCN1CCC(CC#N)CC1 397138517 ZLIHSDWZWXREMF-UHFFFAOYSA-N 222.376 3.582 30 20 BHED C=CCCCC[C@H](C)NC[C@@H]1C[C@H](C)O[C@H]1C 414264104 QDOJQCBJIMGRTQ-AJNGGQMLSA-N 239.403 3.524 30 20 BHED C=CCC(C)(C)C(=O)N[C@H](CC)[C@@H]1CC1(C)C 416080506 LXXCHELIEKKKQY-NWDGAFQWSA-N 237.387 3.530 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)Cc1ccccc1C 424543168 MFQCUIQDJLXADF-UHFFFAOYSA-N 245.366 3.556 30 20 BHED C[C@H](c1cccc(C#N)c1)N(C)CC1(C)CCC1 425534870 MIXPNUZATIVPIJ-CYBMUJFWSA-N 242.366 3.741 30 20 BHED Cc1cccc([C@H](C)N(C)CC(C)(C)C#N)c1 433306611 STWNHTGCXZIUSN-ZDUSSCGKSA-N 230.355 3.538 30 20 BHED C=C(C)CN1CC[C@@H](c2ccccc2)C[C@@H]1C 439318610 PKJKZVKRFUYBMZ-GOEBONIOSA-N 229.367 3.831 30 20 BHED CC#CCCN1CC[C@H](c2ccccc2)C[C@H]1C 439320590 ODUUQQXARJXWFL-WBVHZDCISA-N 241.378 3.668 30 20 BHED C=CCCCN1[C@H](C)C[C@H]2CCCC[C@H]21 441472949 YJTJTKJKPHSZGX-MGPQQGTHSA-N 207.361 3.606 30 20 BHED C=CC(C)(C)c1nc(-c2sccc2C)no1 453181670 MEZHOOPBIZHRQO-UHFFFAOYSA-N 234.324 3.570 30 20 BHED C[C@H](CCc1ccccc1)NCC(C)(C)CC#N 459738207 XUKOHOMZKXYNSK-CQSZACIVSA-N 244.382 3.537 30 20 BHED CCN(CCC#N)CC[C@H](C)CCC=C(C)C 482071981 SRHZTQNBAALBEP-OAHLLOKOSA-N 236.403 3.995 30 20 BHED C=CCN(C)CCc1ccc2ccccc2c1 494628020 AESWLVMZZAAMIO-UHFFFAOYSA-N 225.335 3.500 30 20 BHED C=CC[C@H]1CCCC[C@H]1NCC(C)(C)CC#N 595054305 ZCWXTSBPGFORSV-UONOGXRCSA-N 234.387 3.651 30 20 BHED Cc1cccc(C(C)(C)NCC2(CC#N)CC2)c1 602806961 RCCNDLGNTCSZJS-UHFFFAOYSA-N 242.366 3.514 30 20 BHED C=CCCC(C)(C)NC(=O)c1ccc(C)cc1F 620859111 WVCBQYVIQOMPSR-UHFFFAOYSA-N 249.329 3.609 30 20 BHED C=CCC(CC=C)C(=O)Nc1ccsc1C 634216995 VXHGHJMSZHZKRM-UHFFFAOYSA-N 235.352 3.763 30 20 BHED CCC#C[C@@H](C)N1CCC(c2ccsc2)CC1 681606247 JXPOQSGSQCOVIA-CYBMUJFWSA-N 247.407 3.729 30 20 BHED C#CCCCN(C)Cc1ccc2ccccc2c1 766895704 QNHCCHUWPXYORV-UHFFFAOYSA-N 237.346 3.685 30 20 BHED C#CCCCCCC(=O)NC[C@H]1CCCC[C@@H]1C 779869096 FSBSYVLKLZRHRP-LSDHHAIUSA-N 249.398 3.513 30 20 BHED C[C@H]1CCCC(=NN[C@H]2CCCC2(C)C)C1 782301002 NLRJANXEWUQDSN-AAEUAGOBSA-N 222.376 3.721 30 20 BHED CC(C)[C@@H]1CCCC1=NNC1CCCCC1 786043857 ZWSLMCWEJWWORB-ZDUSSCGKSA-N 222.376 3.721 30 20 BHED C=CCCN(C)c1cc2ccccc2c(Cl)n1 786084486 USYCRZJZYVTFFP-UHFFFAOYSA-N 246.741 3.901 30 20 BHED CC1(C)CCC[C@@H]1NN=C1CCC[C@H]1CCF 794934861 ANNDAIXEFAPGMG-AAEUAGOBSA-N 240.366 3.670 30 20 BHED C=CCCCCCCCCN[C@H]1CCO[C@@H]1C 806175479 BBCYKLYHDAGFMS-CABCVRRESA-N 239.403 3.670 30 20 BHED Fc1ccc(NN=C2CC[C@H]2C2CC2)c(F)c1 814686476 IMWARCHPPYHDOZ-JTQLQIEISA-N 236.265 3.553 30 20 BHED CCOc1ccc(NN=C2CC[C@@H]2CC)cc1 814983501 LJWWIJIGAKPAIP-NSHDSACASA-N 232.327 3.673 30 20 BHED Cc1cc(C)c(NC(=O)C#CC(C)(C)C)c(C)c1 837355900 KCYZQIZEHUUDIZ-UHFFFAOYSA-N 243.350 3.600 30 20 BHED C=C[C@H](OC(=O)[C@H](C)C1CC1)c1ccccc1 851452668 VPTKWHNVGNIOJB-RISCZKNCSA-N 230.307 3.503 30 20 BHED C#CCCOC(=O)Oc1cc(C)ccc1C(C)C 858875808 NEDWZTWYKZUFSP-UHFFFAOYSA-N 246.306 3.657 30 20 BHED Fc1ccc(NN=C2CCCC2)cc1Cl 863180344 LIBHZHJAODGVMX-UHFFFAOYSA-N 226.682 3.821 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H](c1ccncc1)C1CC1 898323107 XPJFPMALGNFBFA-HEHGZKQESA-N 244.382 3.723 30 20 BHED Fc1cc(F)cc(NN=CC2CCCCC2)c1 920376860 WGVJZXRWAPRNGI-UHFFFAOYSA-N 238.281 3.943 30 20 BHED CC(C)(C)ON=C1CCC[C@H]1CCCF 1321257682 CNMITPSGPUUUKK-JTQLQIEISA-N 215.312 3.707 30 20 BHED CCC1(CC)CCCN(C[C@H](C)CCC#N)C1 1665242116 KEMUPBWBNSNLLN-CQSZACIVSA-N 236.403 3.828 30 20 BHED Cc1ccc(C#N)c(Oc2cccc(Cl)c2)n1 43400270 DFVBIXJTDTYTID-UHFFFAOYSA-N 244.681 3.707 30 20 BHED C=C(C)CN[C@H](C)c1ccccc1Cl 49855294 GAFNEDKWSFKXAO-SNVBAGLBSA-N 209.720 3.567 30 20 BHED C=CCCCN[C@H](CC)c1cccs1 70592020 VNIQRNZPPRDKPM-LLVKDONJSA-N 209.358 3.755 30 20 BHED C=CCC[C@@H](CCC)N[C@H]1CCOC(C)(C)C1 119326238 NATNTYMAONGLPN-KGLIPLIRSA-N 239.403 3.669 30 20 BHED C=CCC[C@H](C)NCc1cccc2cccnc12 130572476 ZXDCIUZBKSOUDV-ZDUSSCGKSA-N 240.350 3.679 30 20 BHED CCN(C[C@@H](C)C#N)[C@@H](C)c1ccccc1C 155219049 OSNPGPWEKDYBIC-JSGCOSHPSA-N 230.355 3.538 30 20 BHED CC1(C)CCC/C(=C/c2cccc(O)c2)C1=O 158978510 WVICREXYANJEQS-XFXZXTDPSA-N 230.307 3.555 30 20 BHED C=CC[C@H](C)N[C@@H](CC)c1cccs1 161640403 WFEZAIHCZFMTBX-QWRGUYRKSA-N 209.358 3.753 30 20 BHED CCCC[C@H](C)Nc1ccccc1O[C@@H](C)C#N 162265073 UVBPVYHMEUHEMV-STQMWFEESA-N 246.354 3.968 30 20 BHED C#CCCCN[C@H](C)c1oc2ccccc2c1C 178054872 JVOYWCOBOAIXDP-CYBMUJFWSA-N 241.334 3.805 30 20 BHED C=CCCC[C@H](C)NC(=O)c1sccc1C 182607322 BZMLGYRNQIKPGF-NSHDSACASA-N 237.368 3.531 30 20 BHED CCN(Cc1cccc(C#N)c1F)CC(C)(C)C 311182624 ZJSXTUWVFXPTMP-UHFFFAOYSA-N 248.345 3.565 30 20 BHED C[C@H]1C[C@H](C(C)(C)C)CCN1CCCCC#N 347623347 XRRPIIARVMAIRS-UONOGXRCSA-N 236.403 3.827 30 20 BHED C=CCN[C@@H](c1ccccc1Cl)C(C)C 380064871 BUCKMBNGTCWHPY-CYBMUJFWSA-N 223.747 3.813 30 20 BHED C=CCCCCN[C@@H](C)c1ccc(CC)o1 381649335 CTTPAHXROAVJDU-LBPRGKRZSA-N 221.344 3.849 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1cc(C)ccc1O 393761979 MKGLWHMXLYEUAG-STQMWFEESA-N 233.355 3.706 30 20 BHED C[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)[C@H](C)[C@H]1C 419375509 RQOHSLGUGXSINP-XJFOESAGSA-N 242.366 3.596 30 20 BHED CN(CC(C)(C)C#N)[C@H]1CCCc2ccccc21 433311098 FRTAOKOUWJNOSZ-HNNXBMFYSA-N 242.366 3.546 30 20 BHED N#C[C@@H]1CC[C@H](Nc2cccc3ccccc23)C1 442839041 MEQRFHUPNDOIFI-OCCSQVGLSA-N 236.318 3.944 30 20 BHED C=C(C)COc1cccc(-c2nccs2)c1 447794718 JTMRBURVDLRDOH-UHFFFAOYSA-N 231.320 3.765 30 20 BHED CCC[C@H](C)[C@H]1CCCN1CC1(C#N)CCC1 450497316 FFXQFTFEIHVMLS-UONOGXRCSA-N 234.387 3.581 30 20 BHED C=CCC[C@@H](CC)NCCOC(C)(C)CC 453402440 GAAAQDBJSANRCB-CYBMUJFWSA-N 227.392 3.526 30 20 BHED N#Cc1cccc(Cl)c1NC[C@H]1CC=CCC1 462370760 RJDRCMRSMKDPJS-NSHDSACASA-N 246.741 3.980 30 20 BHED CC#CCCOc1c(Cl)cccc1Cl 462388451 ODRGGWNNHVXVJD-UHFFFAOYSA-N 229.106 3.786 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CCC2(CCCC2)CC1 473830544 RSFZNDRHKJBWLS-HNNXBMFYSA-N 249.398 3.772 30 20 BHED C=C1CCN([C@@H](C)c2ccccc2C)CC1 483388922 BLCSQYAZGIDUOV-AWEZNQCLSA-N 215.340 3.708 30 20 BHED C=CCSC[C@@H](OC)c1ccc(Cl)cc1 509000715 USUBLMFIVPISSZ-GFCCVEGCSA-N 242.771 3.947 30 20 BHED CC(C)(CC#N)CSCCC(F)(F)F 516878483 MEYCTHPNTOQCJD-UHFFFAOYSA-N 225.279 3.612 30 20 BHED C=C(C)CN(Cc1ccccc1C)C1CC1 521187351 KVCJMJYBHXLREU-UHFFFAOYSA-N 215.340 3.536 30 20 BHED CCC[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 531816288 FQGSNPSIHZSYIM-HNNXBMFYSA-N 242.366 3.570 30 20 BHED C=CCC[C@H](CC)N[C@@H]1CCO[C@@H](C(C)C)C1 536819620 FQDJDOIBJNCJGF-RRFJBIMHSA-N 239.403 3.524 30 20 BHED CC#CCCSCc1ccccc1OCC 545904592 SPUOFOBCZICJIN-UHFFFAOYSA-N 234.364 3.732 30 20 BHED C=CCCCOc1cccc2nc(C)ccc12 546779989 CKJNBNFSXKLBFE-UHFFFAOYSA-N 227.307 3.888 30 20 BHED C=CC(C)(C)CNC(=O)c1cccc(C2CC2)c1 579490224 QRVAMPNJLZRIKB-UHFFFAOYSA-N 243.350 3.506 30 20 BHED O=C(/C=C\c1coc2ccccc12)c1ccncc1 588386431 RBNGQORHOGOVFV-WAYWQWQTSA-N 249.269 3.724 30 20 BHED Cc1cncc(C(=O)/C=C\c2ccccc2C)c1 588476189 GLHVRABKQMVDMQ-FPLPWBNLSA-N 237.302 3.595 30 20 BHED Cc1noc(C)c1-c1cccc(C2(C#N)CC2)c1 592986233 GHIWACYSGZQDAU-UHFFFAOYSA-N 238.290 3.514 30 20 BHED C=CCNC(=O)C[C@@H](C)c1ccc(C(C)C)cc1 606345005 LGAWLLKSWSPTMW-CYBMUJFWSA-N 245.366 3.606 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cc(O)c(C)cc1C 644704246 MUZIUTFYTQOHOB-UHFFFAOYSA-N 247.338 3.550 30 20 BHED C=CCN(Cc1cccc(F)c1)C(C)(C)C 675549903 FCXMGCCFIXYLHH-UHFFFAOYSA-N 221.319 3.612 30 20 BHED N#CCC1(CN2CCC(C3CCCC3)CC2)CC1 708873544 VVXRVXNVZORNBX-UHFFFAOYSA-N 246.398 3.582 30 20 BHED C=CCCC(=O)N(C)c1ccc(CCCC)cc1 752371910 CYHYHWYJROGKGS-UHFFFAOYSA-N 245.366 3.958 30 20 BHED C=C(CC)COC(=O)c1ccc(Cl)cc1F 773457237 XBDMIDJVKJGXDB-UHFFFAOYSA-N 242.677 3.602 30 20 BHED C#CCCCCC(=O)N1CCC[C@H]1CCCCC 773471526 DMKZMAYSIGHEKJ-OAHLLOKOSA-N 249.398 3.751 30 20 BHED CCOCCON=C[C@@H](C)CC1CCCCC1 774418679 YNSQITPMGPRXGF-ZDUSSCGKSA-N 241.375 3.632 30 20 BHED CC[C@@H]1CC[C@H](C)CC1=NNc1ncccc1F 794980736 NRSZZPGLMIPJBK-WDEREUQCSA-N 249.333 3.835 30 20 BHED Fc1cccc(NN=C2CCCCCCC2)n1 795007395 XXRCMNBKBZPDMC-UHFFFAOYSA-N 235.306 3.733 30 20 BHED C[C@@H](C=NNc1ncccc1Cl)C(C)(C)C 800810202 ITLVDGUPIOBOJB-VIFPVBQESA-N 239.750 3.815 30 20 BHED C[C@H]1CCC(=NNCC2CCCC2)C[C@H]1C 808007105 PNRGPKAOTZCOFF-NWDGAFQWSA-N 222.376 3.578 30 20 BHED C=CCCCCCCCN[C@@H]1CCOC[C@@H]1C 810244038 XVHCUPWPCYTKLX-LSDHHAIUSA-N 239.403 3.528 30 20 BHED CCCCCCCCCn1ccc(C(C)=O)n1 814265047 LTTUFTYDZUURJR-UHFFFAOYSA-N 236.359 3.836 30 20 BHED CCCCC(C)=NNc1ccc(F)cc1F 916248139 NVBDEMYQLUWMSM-UHFFFAOYSA-N 226.270 3.943 30 20 BHED C=CCN(C(=O)C[C@H]1CCCC[C@H]1C)C(C)C 920476866 ZICNVDMUPFCYNB-ZIAGYGMSSA-N 237.387 3.626 30 20 BHED C=C(C)CCC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 1335825374 XHHAZEIFEPDYSU-CJNGLKHVSA-N 243.350 3.562 30 20 BHED C=C(C)C(C)(C)c1nnc(CC(C)(C)C)o1 1346662492 MZABQLFYXGNYLP-UHFFFAOYSA-N 222.332 3.512 30 20 BHED Cc1cc(N[C@H]2CCC[C@@H](C)CC2)ncc1C#N 1655382614 KPEWUJZZRADXGI-RISCZKNCSA-N 243.354 3.642 30 20 BHED C=CC[C@H](N)c1ccc(OC2CCCC2)cc1 1690154805 CRNNWANCAWWXJC-HNNXBMFYSA-N 231.339 3.584 30 20 BHED CC[C@@H](C)[C@H](C)Nc1cccc(F)c1C#N 36138443 MMUPHIUDQDMMMR-ZJUUUORDSA-N 220.291 3.544 30 20 BHED C#Cc1cccc(NC(=O)[C@H](CC)CCCC)c1 41637830 PPZYJQXEKODCLP-CQSZACIVSA-N 243.350 3.823 30 20 BHED C#Cc1cccc(N[C@H]2CCCC2(C)C)c1 86855615 APFPHTQLBPJUAV-AWEZNQCLSA-N 213.324 3.659 30 20 BHED C=C(CNC[C@@H]1CC=CCC1)c1ccccc1 134363407 KQDOSWCHUQXMDK-OAHLLOKOSA-N 227.351 3.646 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCCc2occc21 152248761 ILBQFHULYZYNLD-SGMGOOAPSA-N 233.355 3.847 30 20 BHED C=C(C)CCOc1ccc(C#N)cc1Cl 160145937 RUCSFCMQAWZNNP-UHFFFAOYSA-N 221.687 3.557 30 20 BHED C=CCSCCOc1ccc(SC)cc1 173825478 DRMMOJODYFJYPR-UHFFFAOYSA-N 240.393 3.707 30 20 BHED CCCCCCC(=O)Nc1cccc(C#N)c1C 178629041 LHGJMJUOEKOTLL-UHFFFAOYSA-N 244.338 3.776 30 20 BHED C[C@@H](CC1CC1)Nc1ccccc1O[C@@H](C)C#N 180204404 JVJXKQQRBIDJOR-RYUDHWBXSA-N 244.338 3.578 30 20 BHED C=CCCC[C@@H](C)NC(=O)CC(CC)CC 182649725 PSSJYECNUAVUNW-GFCCVEGCSA-N 225.376 3.674 30 20 BHED C[C@H]1CCCC[C@H]1Nc1nccc(C#N)c1Cl 235544611 YNTHDXAURWDJAM-GXSJLCMTSA-N 249.745 3.597 30 20 BHED C[C@H]1CCC[C@@H](C)N1CCCCC(C)(C)C#N 235545431 BTBZNJWXBCRVGA-OKILXGFUSA-N 236.403 3.969 30 20 BHED [N-]=[N+]=Nc1ccccc1OC(F)(F)F 238536772 MDHVAGISVVVEJD-UHFFFAOYSA-N 203.123 3.527 30 20 BHED C[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H](C#N)C2)CC1 249037932 TYHMZMOREXWMDR-APIJFGDWSA-N 234.387 3.627 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccsc1 281461023 DUXOALNYEHRTDA-JQWIXIFHSA-N 209.358 3.753 30 20 BHED C=CCCCCN[C@@H](C)Cc1ccsc1 309017267 VACXTYSYCBLXPB-LBPRGKRZSA-N 223.385 3.625 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1ccc(F)cn1 344292740 GJQBEDAHZANZBF-NEPJUHHUSA-N 236.334 3.616 30 20 BHED CC#CCCNCc1csc(Cl)c1Cl 379653638 IEDSNTRIIQUYEN-UHFFFAOYSA-N 248.178 3.558 30 20 BHED C=CC[C@@H](C)N[C@H](CCC(C)C)C1CC1 379808588 YDGPDOGOMAGJCK-TZMCWYRMSA-N 209.377 3.755 30 20 BHED N#CC1(CSc2ccccc2O)CCCC1 405228458 SNEHNMFUJYEQDT-UHFFFAOYSA-N 233.336 3.568 30 20 BHED C=CCCCN[C@@H]1CCC[C@H]1c1ccccc1 446003591 QEKVSMRLEORAQE-JKSUJKDBSA-N 229.367 3.879 30 20 BHED CC[C@H](N[C@@H]1CC[C@H](C)C1)c1ccc(C#N)cc1 447595552 AHJFGVWRXLNHEK-MAZHCROVSA-N 242.366 3.788 30 20 BHED C=CCC1(C(=O)NC(CC)CC)CCCCC1 448563174 XBAMBNMMMSEHNX-UHFFFAOYSA-N 237.387 3.818 30 20 BHED C=C(C)CCNCc1cc(C)c2ncccc2c1 449473340 HSWMJEYSBKEWCS-UHFFFAOYSA-N 240.350 3.599 30 20 BHED C=CC(C)(C)CNCc1cnc(C(C)C)s1 449485418 MNUUVVXQYGRDLD-UHFFFAOYSA-N 238.400 3.568 30 20 BHED C=CCC(C)(C)C(=O)N1CCC[C@@H]2CCCC[C@H]21 459879945 ZXICOHUZOKGNHC-UONOGXRCSA-N 249.398 3.770 30 20 BHED C=C[C@](C)(CC)C(=O)NCCCCC(C)(C)C 468008991 HIMYFHCNAOMHGV-OAHLLOKOSA-N 239.403 3.921 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[C@H](C)CC1 468093005 BBBGLDNDOKWUQU-GZBFAFLISA-N 237.387 3.674 30 20 BHED C=CCCCCCN(C)C/C=C\c1ccncc1 494985611 LNCUQWMLTDHCOJ-HJWRWDBZSA-N 244.382 3.773 30 20 BHED COc1ccc(C#N)cc1NC1CCCCCC1 501019011 OEWVUIIKPXJCKI-UHFFFAOYSA-N 244.338 3.702 30 20 BHED C=C(C)CCc1noc(C[C@H]2CC[C@H](C)C2)n1 508675928 BPUNTPHLEWLJGM-RYUDHWBXSA-N 234.343 3.557 30 20 BHED CC(C)(CNc1cccc(C#N)n1)C1CCCC1 511637045 SESOSGWNUKRGPK-UHFFFAOYSA-N 243.354 3.582 30 20 BHED C=C(C)CN(CC)C(=O)c1cccc(C2CC2)c1 514795375 LYBJJVCOGPVWBB-UHFFFAOYSA-N 243.350 3.602 30 20 BHED C=CCOc1cccc(CNC2(C)CCCC2)c1 518273779 GKPUHVCNJSAKHI-UHFFFAOYSA-N 245.366 3.674 30 20 BHED C=CCCCN(C)Cc1ccc(F)c(Cl)c1 537635395 QRSFSQDIYCVLID-UHFFFAOYSA-N 241.737 3.877 30 20 BHED C=C(C)CN[C@@H](c1ccc(F)cc1F)C(C)C 538224610 GBYISAMTWBZIAD-CQSZACIVSA-N 239.309 3.828 30 20 BHED C=CCCN[C@@H](c1ccc(F)c(C)c1)C1CC1 539425820 WNPUKDLJVSOCSA-OAHLLOKOSA-N 233.330 3.751 30 20 BHED CCC[C@H]1[C@H](C)CCCN1CCC(C)(C)C#N 540667888 PCFQNURPHKMNLW-KGLIPLIRSA-N 236.403 3.827 30 20 BHED Cc1ccnc(-c2ccc(C#N)c(Cl)c2)c1 589962982 MXGPILMNRSDKRZ-UHFFFAOYSA-N 228.682 3.582 30 20 BHED N#C[C@H](Sc1ccc(Cl)cc1)C1CC1 601068457 BWCMRVBOGAIGGF-NSHDSACASA-N 223.728 3.734 30 20 BHED CCC[C@H]1CCCCN1C[C@@H](C)CCC#N 602613106 OXZNMLGALXYNHZ-KBPBESRZSA-N 222.376 3.581 30 20 BHED C=CCCCN1CCC(c2ccccc2)CC1 605149773 OIRQVBXRGWOBSH-UHFFFAOYSA-N 229.367 3.832 30 20 BHED C[C@@H](c1cccc(F)c1)N1CCC[C@@](C)(C#N)C1 612161779 IDKLMBYKCPFPPD-WFASDCNBSA-N 246.329 3.512 30 20 BHED C=C(C)CN(C)Cc1c(C)cc(C)cc1C 621277110 XSMRDOJRFJZUCM-UHFFFAOYSA-N 217.356 3.620 30 20 BHED CC#CCCN1CC[C@H]1c1ccc(Cl)cc1 680884627 MLIOXBBFTBJLSV-AWEZNQCLSA-N 233.742 3.500 30 20 BHED CC[C@H](C)C[C@H](C)/N=C\c1cc(OC)ccc1O 743041812 CPPFDHYGSUIMFJ-MJQZAILXSA-N 249.354 3.644 30 20 BHED CC(Cc1ccccc1C)=NOCC(C)C 749625982 KTYIWMNNSOGWIO-UHFFFAOYSA-N 219.328 3.586 30 20 BHED CC[C@@H]1CCCC1=NNc1nc2ccccc2[nH]1 758361736 NSBATGNGVBQKST-SNVBAGLBSA-N 242.326 3.541 30 20 BHED CC(CC1CC1)=NN[C@H]1CCCCC1(C)C 773126563 UTMWATDMYIIUPJ-ZDUSSCGKSA-N 222.376 3.721 30 20 BHED C#CCCCCCC(=O)NC[C@@H]1CCCC[C@@H]1C 779869094 FSBSYVLKLZRHRP-GJZGRUSLSA-N 249.398 3.513 30 20 BHED C#CCCCCCC(=O)NC1C[C@H](C)C[C@@H](C)C1 779918036 OSDWBVXZQLKDRO-ZIAGYGMSSA-N 249.398 3.511 30 20 BHED CC[C@H](C)CON=CC1=Cc2ccccc2OC1 793160985 YSZBPXUJUMCAJW-LBPRGKRZSA-N 245.322 3.511 30 20 BHED C=CCCC(=NOC[C@H](C)CC)C1CC1 793163433 KKXXKPDZSIXIPX-LLVKDONJSA-N 209.333 3.781 30 20 BHED CC[C@H]1CCCCC1=NNc1cccc(F)n1 795005539 ASAXVKMQCWXRPN-JTQLQIEISA-N 235.306 3.589 30 20 BHED C[C@]1(C=NOCC2CCC2)C[C@@H]1c1ccccc1 853441315 VUFPAPSSSIHQKG-HZPDHXFCSA-N 243.350 3.983 30 20 BHED C#CCCCNc1cnn([C@@H](C)CC)c1C1CC1 902193240 RXGKSECFNAEDKK-LBPRGKRZSA-N 245.370 3.557 30 20 BHED C=CCC[C@H](NC/C=C\Cl)c1ccco1 903443148 CCJOFAHCMDVFDS-OFSNVTPPSA-N 225.719 3.629 30 20 BHED CC(C)C(C(C)C)[C@H](C)NCCCCC#N 924940866 BEKJUNGHFSEGFG-ZDUSSCGKSA-N 224.392 3.587 30 20 BHED CC(C)N(CCCCC1(C#N)CCC1)CC1CC1 929877474 JIMMSQZKJGXFAD-UHFFFAOYSA-N 248.414 3.971 30 20 BHED C=CCC(CC=C)c1nnc(C(C)(C)C)o1 1257917497 CMQSDAUGOYVQQE-UHFFFAOYSA-N 220.316 3.603 30 20 BHED C=CCC[C@H]1CCCN1C(=O)CCC1(C)CC1 1262655746 XSZMLGFUFXCSNC-ZDUSSCGKSA-N 235.371 3.524 30 20 BHED Fc1ccc(CCC=NNc2ccccc2)cc1 1344743972 KNHBQJPABNBPCA-UHFFFAOYSA-N 242.297 3.856 30 20 BHED COc1cc(OCC2CCCCC2)ccc1C#N 1643890434 FKSXWIPXWDDMCV-UHFFFAOYSA-N 245.322 3.526 30 20 BHED CC1(C)CCC[C@H](CN[C@H]2CCC[C@@H](C#N)C2)C1 1659465797 RMWDVEQFCPWGNZ-ILXRZTDVSA-N 248.414 3.875 30 20 BHED N#Cc1ccc(COc2cccc(Cl)c2)cc1 19804905 PWNMKTHUBGJCPY-UHFFFAOYSA-N 243.693 3.791 30 20 BHED C[C@@H]1CCCC[C@@H]1Nc1ccc(OCC#N)cc1 20126410 ATAHETRMWGMVRQ-DOMZBBRYSA-N 244.338 3.580 30 20 BHED CC[C@@H](CC#N)N[C@H](C)c1ccc(Cl)cc1 49525554 RTARJKILVWUDEP-MFKMUULPSA-N 236.746 3.683 30 20 BHED CCCCCCCCn1ccnc1CC 111550773 KKPMURIIBZSVGV-UHFFFAOYSA-N 208.349 3.806 30 20 BHED C[C@H](Sc1nccs1)c1ccc(C#N)cc1 118176031 XKNOZXCCSITSKY-VIFPVBQESA-N 246.360 3.868 30 20 BHED C=C(Cl)CSc1ccc(Cl)cn1 119761130 UDHOXFBBSGQHLJ-UHFFFAOYSA-N 220.124 3.580 30 20 BHED C[C@H]1CCC[C@H](C)N(Cc2ccc(C#N)s2)C1 128196217 MIFVPRFMXQFTOC-RYUDHWBXSA-N 248.395 3.630 30 20 BHED CC(C)C[C@@H]1CCCN1Cc1cc(C#N)cs1 153460361 LTWNDJUMAFYWBB-ZDUSSCGKSA-N 248.395 3.630 30 20 BHED C=CC[C@H](C)N[C@H]1C[C@H](C)c2c(C)ccc(O)c21 168834297 PXYJDXHWHDLUQU-AVGNSLFASA-N 245.366 3.803 30 20 BHED C=C(C)CN(C)[C@H](C)c1ncc(C(C)(C)C)o1 181323657 VSKDVOXLTGLRHA-LLVKDONJSA-N 236.359 3.541 30 20 BHED C=C(C)CSCCOc1cccc(C)c1 219728306 XQCUTKOHACFEAC-UHFFFAOYSA-N 222.353 3.683 30 20 BHED C#Cc1cccc(NCc2ccc3[nH]ccc3c2)c1 229619324 PRITZCTXNJIYRP-UHFFFAOYSA-N 246.313 3.761 30 20 BHED C[C@@H](N[C@H]1CC[C@H](C)CC1)c1ccc(C#N)cc1 245865406 IMKWENMSMYECOJ-XJKCOSOUSA-N 242.366 3.788 30 20 BHED C=CCCCCCCN[C@H](C)c1nccnc1C 287208003 WTCCJXMEDYIRIC-CYBMUJFWSA-N 247.386 3.572 30 20 BHED C=CC(C)(C)C(=O)Nc1cccc(Cl)c1C 294199062 HEXSBKAPSUSTGO-UHFFFAOYSA-N 237.730 3.799 30 20 BHED C=CCCCCCCN[C@@H](CC)[C@H]1CCOC1 310422618 OWFDZJIXVKNHEW-GJZGRUSLSA-N 239.403 3.528 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1cnccc1C 344281052 AGWYXIGSHORCJO-UONOGXRCSA-N 232.371 3.785 30 20 BHED C=CCCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 352246860 JWCZSWJYYHFHJG-SWLSCSKDSA-N 245.366 3.944 30 20 BHED CCN(CC#N)Cc1ccc(SC(C)C)cc1 358069848 SZURRVIEHVZPPL-UHFFFAOYSA-N 248.395 3.533 30 20 BHED C=CCC(C)(C)CNCc1ccc2cc[nH]c2c1 380967913 VNSJUICYNHIJBO-UHFFFAOYSA-N 242.366 3.860 30 20 BHED C=CCCCNc1cccc(C(=O)CC)c1 393805275 WGWYEXUAOYOUBU-UHFFFAOYSA-N 217.312 3.657 30 20 BHED C=C[C@H]1CCCCN1Cc1ccsc1Cl 426544933 OPMSXMCAAOXYNY-NSHDSACASA-N 241.787 3.942 30 20 BHED CC(C)(C)[C@@H]1CCCC[C@H]1NCC1(CC#N)CC1 430748385 DHGGKFCOFGOYMT-ZIAGYGMSSA-N 248.414 3.875 30 20 BHED C=CC(C)(C)C(=O)NCc1cccc(C(C)C)c1 450726719 GPKUXQMPNCIMAA-UHFFFAOYSA-N 245.366 3.638 30 20 BHED Cc1cccc(CS[C@H](C)CCC#N)c1 451030957 OFMHKVNVPYZVKO-GFCCVEGCSA-N 219.353 3.921 30 20 BHED CCN(Cc1ccc(C2CC2)cc1)C[C@@H](C)C#N 459333652 ZNJUYONIUUPUAK-ZDUSSCGKSA-N 242.366 3.546 30 20 BHED CC#CCCSCCCCOC(C)(C)C 473797099 HKUHLCJJTJRRNG-UHFFFAOYSA-N 228.401 3.728 30 20 BHED C=CCCC1(C(=O)NC[C@H]2CCCC[C@H]2C)CC1 475173706 LWXMGIJEXIYZHQ-ZIAGYGMSSA-N 249.398 3.675 30 20 BHED C=CCCCCNc1ccc(C)c(NC(C)=O)c1 520734292 UKCWHWSMQMGAIZ-UHFFFAOYSA-N 246.354 3.722 30 20 BHED C=CC[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 523963076 WFUOMLVBESSBPJ-LBPRGKRZSA-N 245.366 3.679 30 20 BHED C=C(CC)CN(CCCC)CC(F)(F)F 536892828 IKNXUYIOEKIWRD-UHFFFAOYSA-N 223.282 3.617 30 20 BHED C=CCN(C(=O)C[C@H]1CCCCC1(C)C)C1CC1 540192696 MUHPQECBQAGMLD-CYBMUJFWSA-N 249.398 3.770 30 20 BHED C=CCCSCCN[C@@H](C)c1ccc(C)o1 595058256 FVNYTYNMHGATRP-LBPRGKRZSA-N 239.384 3.548 30 20 BHED CC(C)=CCCN(CCC#N)CC(C)(C)C 595329918 YMYAXJTVEASSCJ-UHFFFAOYSA-N 222.376 3.604 30 20 BHED COC1CC(S[C@H](C)c2ccc(C#N)cc2)C1 600623093 ZGTQQFABUJKPHT-GWMXKSKGSA-N 247.363 3.530 30 20 BHED CC(C)(CC#N)CSCC(=O)c1ccccc1 601085546 UDYVBBCEGHLECR-UHFFFAOYSA-N 247.363 3.542 30 20 BHED CCCCCCCNCc1ccccc1N(C)C 727464522 RYZHJKFVYXMEBS-UHFFFAOYSA-N 248.414 3.813 30 20 BHED CCC(CC)NN=Cc1c(C)[nH]c2ccccc12 734366621 ZNGYXNOJHPKOHW-UHFFFAOYSA-N 243.354 3.588 30 20 BHED Cc1ccc(C2CC(=NOCC(C)C)C2)cc1 749631357 LBUAFZCTSNMCQI-UHFFFAOYSA-N 231.339 3.901 30 20 BHED CCCCCCCCC(=O)N1C[C@H](C)[C@@H](C)C1 751967139 AYTQLPBSIXDWKM-KBPBESRZSA-N 239.403 3.851 30 20 BHED CCC[C@@H](C)c1noc(-c2ccc(C#N)s2)n1 761849829 ZRSUOWPDGRITKV-MRVPVSSYSA-N 247.323 3.573 30 20 BHED C=CCCCC(=O)Nc1ccc(C2CC2)cc1 771735260 SMTUAWGLXXEKLV-UHFFFAOYSA-N 229.323 3.859 30 20 BHED C#CCCCCN[C@@H](C)C1CCC(F)(F)CC1 788984524 OKLLPOXUIBJGLO-LBPRGKRZSA-N 243.341 3.594 30 20 BHED N#CCCCSCc1ccc(CF)cc1 790563294 AVYRCHQCEJPCPZ-UHFFFAOYSA-N 223.316 3.693 30 20 BHED CCCCCCCC(=O)OCc1cc(C)ccn1 791330539 PYTWBZHSRPEVKC-UHFFFAOYSA-N 249.354 3.794 30 20 BHED CC(Cc1ccsc1)=NN[C@H](C)C(C)(C)C 793110776 BWNDXMNRBPBMGI-LLVKDONJSA-N 238.400 3.691 30 20 BHED CSCCON=C1CC[C@@H](C)c2ccccc21 794572471 RSWGZBADWAYOHZ-LLVKDONJSA-N 249.379 3.668 30 20 BHED CC(C)[C@H]1CCCC(=NNc2ncccc2F)C1 794990049 JNNATIDASNHCBS-NSHDSACASA-N 249.333 3.835 30 20 BHED CCC(=NOC1CCC1)c1cccc(C)c1 812235832 QUJGCJWWAPMUGZ-UHFFFAOYSA-N 217.312 3.678 30 20 BHED CCC(=NNc1ccc(OC)cc1)[C@H]1C[C@H]1C 841634537 YUQICEVUOHZQLN-MFKMUULPSA-N 232.327 3.529 30 20 BHED C=C[C@@H](C)ON=C1CCc2ccccc2CC1 844620220 ICQRMQAATSYWFL-GFCCVEGCSA-N 229.323 3.513 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C(C)=C/c1ccco1 846946548 JPVHLQXKEFLXBI-XZHRJIJLSA-N 247.338 3.544 30 20 BHED C[C@H]1CCCCN1N=C[C@@H]1C[C@H]1c1ccccc1 853381543 FTFZKWVPRGFUHA-BPUTZDHNSA-N 242.366 3.650 30 20 BHED CC(=NNc1ccc(Cl)cn1)C1CCCC1 853437842 VHDGQBIYKKLOJJ-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C=C(Cl)CSCCc1ccc(C#N)cc1 853777991 DIJNQUXHJFVJQI-UHFFFAOYSA-N 237.755 3.586 30 20 BHED C=C/C=C\CCN(C)[C@@H](C)c1cccc(C#N)c1 878728225 KXWHOPSALHIEKK-GXMNPTEKSA-N 240.350 3.683 30 20 BHED C=C1CCC(C(=O)Nc2ccccc2CC)CC1 887656648 ZSWMRBZQEDIYAR-UHFFFAOYSA-N 243.350 3.934 30 20 BHED COc1cccc(N[C@@H](C)CC(C)(C)C#N)c1C 895581165 GDFJVXKMMVWTSJ-NSHDSACASA-N 246.354 3.744 30 20 BHED C=CCN(C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)C(C)C 915153439 LJVLIVBYLANFSK-ZIAGYGMSSA-N 249.398 3.648 30 20 BHED C=CCN(Cc1ccccc1Cl)C(C)C 917071010 MFBINNAQEPZOPY-UHFFFAOYSA-N 223.747 3.736 30 20 BHED CCCCCCCC(=O)N(C)Cc1ccoc1 918391558 AXYBNPXZJMIFSJ-UHFFFAOYSA-N 237.343 3.599 30 20 BHED C=C(CC)C(=O)N[C@@H](CCC)c1ccccc1 1123584403 OGRXKTIGYXTWCS-AWEZNQCLSA-N 231.339 3.610 30 20 BHED C=C(Cl)CN(CC(C)C)CC(C)(C)C 1307583885 RYCKUZWATISGIU-UHFFFAOYSA-N 217.784 3.743 30 20 BHED C=C(C)CCC(=O)N(C1CC1)[C@@H](C)c1ccco1 1337687527 BHJVSTHGBFTTGG-LBPRGKRZSA-N 247.338 3.688 30 20 BHED C=C[C@@](C)(CC)c1nnc(-c2ccccc2C)o1 1349975359 CXIQNMNNSAMPGK-HNNXBMFYSA-N 242.322 3.899 30 20 BHED CCCC[C@@H](CC)CN1CCC[C@](C)(C#N)C1 1559671441 PSWLEHXAZHSESI-HUUCEWRRSA-N 236.403 3.828 30 20 BHED C=CCCNc1cccc(C(F)(F)F)c1 70591268 LEMLRTAVCWAERQ-UHFFFAOYSA-N 215.218 3.693 30 20 BHED C#CCCCCN[C@@H](C)[C@@H](C)c1ccccc1 90399132 ZDWXVBJLONQFPD-CABCVRRESA-N 229.367 3.572 30 20 BHED N#Cc1cncc(-c2ccccc2C(F)(F)F)c1 91366152 QEVNTQWUSIMZSX-UHFFFAOYSA-N 248.207 3.639 30 20 BHED CCCCCCCNC(=O)/C=C\c1ccccc1 100217689 XJKMGTXXWOFLLT-SEYXRHQNSA-N 245.366 3.786 30 20 BHED C=C[C@H](CC(=O)NCCCCC)c1ccccc1 121390860 OBMVNVUIVOYEGC-CQSZACIVSA-N 245.366 3.653 30 20 BHED C=CCC[C@@H](C)N[C@@H]1CCCCC1(C)C 126863354 QNDCCRWQQAGTEG-CHWSQXEVSA-N 209.377 3.900 30 20 BHED C[C@H]1C/C(=C/c2cccnc2)C(=O)c2ccccc21 131136724 IXLHVXAUGXHLNG-GVIGZQTCSA-N 249.313 3.855 30 20 BHED C=C(C)CN(CC)Cc1cc(F)c(F)c(F)c1 159002139 XSVJDIHNJWGVFI-UHFFFAOYSA-N 243.272 3.502 30 20 BHED N#CCCCCSC[C@H]1C[C@H]2CC[C@@H]1C2 161914761 FQAXKWGCAMCDDV-YNEHKIRRSA-N 223.385 3.850 30 20 BHED C=CCCN[C@H](CC)c1ccc(F)cc1F 179623327 JRWREGGYEFIUQT-CYBMUJFWSA-N 225.282 3.582 30 20 BHED CC1CCC(N(C)CC(C)(C)CCC#N)CC1 179718954 HGPKTIZEPVRIHU-UHFFFAOYSA-N 236.403 3.827 30 20 BHED C=CCCCCCNc1ccc2c(c1)OCCO2 232584005 UHBFRYXZYDEGCL-UHFFFAOYSA-N 247.338 3.616 30 20 BHED C=CC[C@H](C)NCc1ccc(C)c(Cl)c1 235071273 XCVRJWTWZFLWMA-NSHDSACASA-N 223.747 3.703 30 20 BHED C[C@H]1C[C@@H](C)CCN(CCCC(C)(C)C#N)C1 246687840 MEVOFMJQMSFWSB-KBPBESRZSA-N 236.403 3.684 30 20 BHED C=C1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 264206307 URMRPAXRSJHSMJ-UHFFFAOYSA-N 243.350 3.602 30 20 BHED N#CCOc1ccc(CSC2CCCC2)cc1 264751153 OKKQTKSBIPKHNM-UHFFFAOYSA-N 247.363 3.765 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1cccnc1Cl 281585615 LINNLNWMGTVITB-WDEREUQCSA-N 238.762 3.740 30 20 BHED C=CCC[C@@H](CC)NCCCc1cccc(C)n1 287284484 CZILEPBZRFVXFB-OAHLLOKOSA-N 246.398 3.657 30 20 BHED C=C(Cl)CN[C@@H](C)[C@@H](C)CCCC 308366661 OHMNYHCBTVOXAF-ONGXEEELSA-N 203.757 3.543 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H]1CCC(C)(C)C1 308846806 MNDFFTVDFWBANG-XQQFMLRXSA-N 209.377 3.755 30 20 BHED N#C[C@H]1CC[C@@H](Nc2cc(F)cc(Cl)c2)C1 309595010 UGNOENJHCIIRGS-GZMMTYOYSA-N 238.693 3.583 30 20 BHED N#CC1(CN2CCCCC[C@@H]2c2ccco2)CC1 335658800 CSSWLSDAXQLCBB-CYBMUJFWSA-N 244.338 3.500 30 20 BHED C=C(C)CCN[C@@H]1CCCc2cc(OC)ccc21 386847819 YVPQVRSQIOMCFG-MRXNPFEDSA-N 245.366 3.628 30 20 BHED CC(C)[C@H](N[C@@H](C)CCC#N)c1ccc(F)cc1 411687178 FONATXKCMWOUBS-WFASDCNBSA-N 248.345 3.805 30 20 BHED CC(C)Oc1cccc(OCC2(C#N)CCC2)c1 418944075 ZUEZUSYDIKUZQA-UHFFFAOYSA-N 245.322 3.546 30 20 BHED C=CCN(CCC#N)C[C@H](CC)c1ccccc1 430094317 JTEGEKVDAVOTSO-HNNXBMFYSA-N 242.366 3.582 30 20 BHED C=CCC[C@@H](CCC)NCc1ccnc(C)c1 449401873 IYJKNHRXHDAUQL-OAHLLOKOSA-N 232.371 3.615 30 20 BHED C=CC(C)(C)CN[C@@H]1CCc2ccc(F)cc21 453314982 ZCNZZJOSQWSCNY-CQSZACIVSA-N 233.330 3.615 30 20 BHED C=C[C@@H](C)NC(=O)Nc1cccc(C(C)C)c1 465178753 VDTJDUFYZNJFJQ-LLVKDONJSA-N 232.327 3.506 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc(C)c(O)c1C 476162595 OGDMOPPSKANOLG-UHFFFAOYSA-N 247.338 3.550 30 20 BHED CC(C)(C)[C@@H](NCC1(C#N)CC1)c1ccccc1 538353955 OVLSFOWADGGITA-AWEZNQCLSA-N 242.366 3.667 30 20 BHED C=CCCCCN1CC=C(C(F)(F)F)CC1 564705796 KTYMVUMNVAUSPW-UHFFFAOYSA-N 233.277 3.537 30 20 BHED C[C@H](CCC#N)CN[C@@H]1CC[C@@H]2CCCC[C@H]2C1 602512772 NFFWPDIHGVAWID-FXUDXRNXSA-N 248.414 3.875 30 20 BHED CC[C@H](NC[C@H](C)CCC#N)C1CCCCC1 602525612 GRPANHCWZBTWNW-HIFRSBDPSA-N 236.403 3.875 30 20 BHED C=C(CNc1ncccc1Cl)c1ccccc1 673461838 ZXRXLEBBGZUFBL-UHFFFAOYSA-N 244.725 3.860 30 20 BHED C=CCCCC(=O)Nc1ccc(C)c(OCC)c1 673935652 ZBOKKZGYVGRWKI-UHFFFAOYSA-N 247.338 3.689 30 20 BHED N#CC1(CSc2nc3ccccc3s2)CC1 691585896 OXWVLPUADFPCNY-UHFFFAOYSA-N 246.360 3.692 30 20 BHED CC(CC1CCC1)=NNc1ccccc1F 758374915 ZONFWBROHBAXMB-UHFFFAOYSA-N 220.291 3.804 30 20 BHED CCCCCCCOC(=O)/C=C/c1cccnc1 759254394 GUORCWNRQFBDGF-MDZDMXLPSA-N 247.338 3.608 30 20 BHED C#CCCCN[C@H](c1ccc(F)cc1)C(C)(C)C 766912795 KLXLWCRURQCEFD-OAHLLOKOSA-N 247.357 3.916 30 20 BHED CC#CCCCC(=O)O[C@@H](C)c1cccc(C)c1 767091902 QQXRJYZTVAQSPA-AWEZNQCLSA-N 244.334 3.793 30 20 BHED C=CCCCC(=O)OCCCCC(C)(C)C#N 768745592 JTUUTXCMEFTSQG-UHFFFAOYSA-N 237.343 3.606 30 20 BHED Cc1cc(C)c(C=NN[C@@H]2CCCCC2(C)C)[nH]1 773126332 SINJPRKUXZVJRB-CQSZACIVSA-N 247.386 3.524 30 20 BHED C=C(CC)CSCc1cccnc1Cl 773289467 DRKZWOYHQXRFBY-UHFFFAOYSA-N 227.760 3.934 30 20 BHED CCCCC(CC)=NN[C@H]1C[C@H]2CC[C@H]1C2 774596693 KREUCDMGXXOLRK-OBJOEFQTSA-N 222.376 3.721 30 20 BHED CCCC(CC)=NNc1cccc(F)c1 776179658 CLMYDTLNIXZTFV-UHFFFAOYSA-N 208.280 3.804 30 20 BHED C=CCC1(C(=O)OCc2cccc(F)c2)CCC1 791562020 FPYNLYZNABXPOR-UHFFFAOYSA-N 248.297 3.615 30 20 BHED Cc1cc(C(=O)/C=C\c2ccsc2)oc1C 799898421 YYLODLOUZAESLR-ARJAWSKDSA-N 232.304 3.854 30 20 BHED C=CCCCCCCN[C@@H](C)[C@@H]1CCCOC1 806167798 KMJGOCJRBGFUKS-LSDHHAIUSA-N 239.403 3.528 30 20 BHED CCCCCCCCC(=O)NOC/C=C/Cl 812398969 DJSYBAFNDLHPAQ-CSKARUKUSA-N 247.766 3.537 30 20 BHED C[C@@H]1SCCC1=NNc1ccc(Cl)cc1 814683578 HLECIBHFYSMAIU-QMMMGPOBSA-N 240.759 3.633 30 20 BHED CC[C@@H](C)CON=Cc1ncc(C(C)C)s1 814939744 YWHPWJJWAZUKCE-SNVBAGLBSA-N 240.372 3.663 30 20 BHED C=CCCCNCc1ccc2ccccc2c1O 816594613 KFJIONIUTGRQED-UHFFFAOYSA-N 241.334 3.601 30 20 BHED C=CCC1(NC(=O)C[C@H](C)C2CC2)CCCCC1 836956510 HURFXIMJIPGYSK-ZDUSSCGKSA-N 249.398 3.818 30 20 BHED C(=NOCc1ccccc1)C1CCCCC1 839419643 RIFKGTFMMLCMDP-UHFFFAOYSA-N 217.312 3.769 30 20 BHED CC[C@@H]1CCCC[C@@H]1/N=C\c1ccccc1O 915113222 RNESNISSDLAQGB-ZRIJEWCQSA-N 231.339 3.780 30 20 BHED Cc1cc(CSCC2(C#N)CC2)cs1 1339184217 ZYFVHLXLVZUPBU-UHFFFAOYSA-N 223.366 3.594 30 20 BHED CC[C@H](C)CSCc1ccc(F)cc1C#N 1459000661 PSJWOUUQCKCCCP-JTQLQIEISA-N 237.343 3.977 30 20 BHED CCCCC[C@H](C)Nc1ccc(C#N)cc1 21817316 DJBMRNRYDUQBNJ-LBPRGKRZSA-N 216.328 3.939 30 20 BHED CCCCCCCN[C@@H](C)c1ccco1 59313737 LPHWXOPPZKZOPZ-LBPRGKRZSA-N 209.333 3.901 30 20 BHED N#Cc1ccc(Cl)cc1N[C@@H]1CC=CCC1 80120375 YTJCHMVSCNSCKG-GFCCVEGCSA-N 232.714 3.732 30 20 BHED CCCCCCCCC(=O)Nc1ccccn1 104983560 VMBMNMIRKNCTAD-UHFFFAOYSA-N 234.343 3.771 30 20 BHED N#CCCCCSC[C@H]1C[C@@H]2CC[C@@H]1C2 161914509 FQAXKWGCAMCDDV-JHJVBQTASA-N 223.385 3.850 30 20 BHED C=CCCN[C@@H](C)c1ccc(OC(C)C)cc1 163903822 DZDQCSBXAUGHAR-ZDUSSCGKSA-N 233.355 3.701 30 20 BHED C=CC[C@H](C)N[C@@H](CC(C)C)c1ccccn1 180951660 RBUBNUGOKIPIGP-ZFWWWQNUSA-N 232.371 3.723 30 20 BHED C#CCCCCC(=O)NCCC1=CCCCCC1 185989270 AEGHZEUYBITLEK-UHFFFAOYSA-N 247.382 3.577 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCC[C@H](C)C1 191827177 YEUUWSKLSLCMRO-GZBFAFLISA-N 237.387 3.626 30 20 BHED N#C[C@H]1CCC[C@H](Nc2cccc(Cl)c2)C1 193088616 IWDGGLORWXGKDO-JQWIXIFHSA-N 234.730 3.834 30 20 BHED C=CC[C@@H](C)NC/C(C)=C\c1ccccc1 255614258 GPDWBTXDYTWGEK-YBEMTRGBSA-N 215.340 3.644 30 20 BHED C=C(C)CCNC1(C(F)F)CCCCC1 308976196 GSCFKTJMNJIIPT-UHFFFAOYSA-N 217.303 3.510 30 20 BHED N#Cc1cccc(OCC2CCCCCC2)c1 310069305 KNERMQXBTKYROY-UHFFFAOYSA-N 229.323 3.907 30 20 BHED Cc1c2c(nc3ccc(C#N)cc13)CS[C@H]2C 334596409 DXOQEJVTPNCYPM-VIFPVBQESA-N 240.331 3.723 30 20 BHED C=C1CCN([C@H](C)c2cccc(F)c2)CC1 342000080 YOEPAIZCDKWNEM-GFCCVEGCSA-N 219.303 3.539 30 20 BHED CC(C)(C)C1CCC(CNCCCC#N)CC1 344354041 JZBNLRYGCWBCSV-UHFFFAOYSA-N 236.403 3.732 30 20 BHED C=CCN(CC=C)Cc1ccc2occc2c1 347646275 DWJJOSLGPHANSL-UHFFFAOYSA-N 227.307 3.607 30 20 BHED Cc1occc1SCc1ccc(CC#N)cc1 358828520 NQIVLCUFHNURQF-UHFFFAOYSA-N 243.331 3.946 30 20 BHED C#Cc1cccc(N[C@H]2CC=C(C)CC2)c1 381447840 GBOYDPOEHSRSKT-AWEZNQCLSA-N 211.308 3.579 30 20 BHED C=C(C)CN[C@@H](CC(F)F)c1ccccc1 420989762 YVGFSXIDUUGVBL-LBPRGKRZSA-N 225.282 3.549 30 20 BHED C=CCC(C)(C)c1nc(-c2cccs2)no1 426344959 CGKDTOCUFKKTKH-UHFFFAOYSA-N 234.324 3.652 30 20 BHED C=CC(C)(C)C(=O)N[C@@H](C)CCCC(C)C 448646850 JVZSDQZFACLKIJ-LBPRGKRZSA-N 225.376 3.530 30 20 BHED C=CCC[C@@H](C(=O)OC(C)C)c1ccccc1 494861370 OYEOPBXXPZBOGV-CQSZACIVSA-N 232.323 3.688 30 20 BHED C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H](C)CC1 504919169 JUJGOXCGOHRXOL-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C=CCC[C@H](CCC)N[C@@H](C)[C@H]1CCCOC1 507478646 NEEZDBZVZWIGCJ-KKUMJFAQSA-N 239.403 3.526 30 20 BHED C=CCCN(CCC)Cc1ccc(C)cc1 524811769 JRORZUAFBBOLOB-UHFFFAOYSA-N 217.356 3.783 30 20 BHED N#CC1(CN(c2ccccc2)C2CCCC2)CC1 539451061 PRAPLVZQWGQEPC-UHFFFAOYSA-N 240.350 3.739 30 20 BHED CCCC[C@@H](C)[C@@H](C)NCc1cccc(C#N)c1 565561254 MITCETPGOHFPGO-ZIAGYGMSSA-N 244.382 3.863 30 20 BHED Cc1nsc(SC2CCCCC2)c1C#N 574837480 RDWCMXDQGJJACP-UHFFFAOYSA-N 238.381 3.748 30 20 BHED CCCC[C@@H](CC)CNC[C@H](C)CCC#N 602501773 FQECCJLMMFCSNR-ZIAGYGMSSA-N 224.392 3.732 30 20 BHED C=CCCCN1C[C@H](C(F)(F)F)CC[C@@H]1C 679543410 CGQYRVWFTZMAHC-WDEREUQCSA-N 235.293 3.615 30 20 BHED CCC(CC)NN=Cc1cc2ccccc2o1 734364814 HBMFGQOBEBZWTK-UHFFFAOYSA-N 230.311 3.545 30 20 BHED Cn1cccc1C=NNc1cccc2ccccc12 747060511 UPRHITCUNOGGLA-UHFFFAOYSA-N 249.317 3.624 30 20 BHED CCCCCCCC(=O)NCCC1CCC1 755503371 JIJMIDWOFXCTDS-UHFFFAOYSA-N 225.376 3.653 30 20 BHED C(/C=C/c1ccccc1)=NOC1CCCC1 774609132 SLNNPHHBTMSBSS-PPEHANPHSA-N 215.296 3.645 30 20 BHED C=CCCCC(=O)OCc1cc(F)ccc1C 782280986 PHGBJGQDFFYNAX-UHFFFAOYSA-N 236.286 3.534 30 20 BHED Cc1ccc(F)c(NN=C2CCC2(C)C)c1 789038870 UKZFHIKXTQHYHI-UHFFFAOYSA-N 220.291 3.722 30 20 BHED CC[C@@H]1CC[C@H](C)CC1=NNc1cccc(F)n1 795006429 HXNWAFKTZIZNES-WDEREUQCSA-N 249.333 3.835 30 20 BHED C=CCCCCCCNC(=O)[C@H](C)CCC 805217852 MALFEBDDQAXHAJ-CYBMUJFWSA-N 225.376 3.675 30 20 BHED CCCC[C@@H](C)C(C)=NNc1ccc(OC)cn1 807983403 LCGIJUSOXZFNDP-LLVKDONJSA-N 249.358 3.704 30 20 BHED Cc1[nH]c2ccccc2c1C=NOCCC1CC1 814246795 YCAYPQKQTFVIGU-UHFFFAOYSA-N 242.322 3.627 30 20 BHED CC[C@@H](C=NOCC(F)(F)F)c1ccccc1 814880167 SWMUPUVKQPTPDD-JTQLQIEISA-N 245.244 3.745 30 20 BHED CC(=NO[C@@H]1CCCCO1)[C@H]1C[C@H]2C=C[C@H]1CC2 842530418 LZOVWLXVRNNYRM-BYNSBNAKSA-N 249.354 3.508 30 20 BHED CCCC(C)(C)C(=O)O[C@@H](C)CC(C)(C)C#N 851206247 PRIGLJDBXXAPJT-NSHDSACASA-N 239.359 3.684 30 20 BHED C=C(Cl)COC(=O)c1cc(C)c(CC)s1 916609569 XOJSZLUMDNGVJA-UHFFFAOYSA-N 244.743 3.528 30 20 BHED Cc1cc(Cl)cc(C#N)c1OCCC(C)C 1166378720 VDJHENXLTNLDBX-UHFFFAOYSA-N 237.730 3.945 30 20 BHED CC1CCC(N(C[C@@H](C)CCC#N)C2CC2)CC1 1308631167 RXJITIGNAHEJOS-SLTAFYQDSA-N 248.414 3.969 30 20 BHED C=C(C)CNc1ccc(Cl)cc1Cl 41578804 MFGFBIRCOWSEMS-UHFFFAOYSA-N 216.111 3.981 30 20 BHED C=CCN(C)[C@@H](C)c1cccc(Cl)c1 52162217 CSPVLAJDFSMZMZ-JTQLQIEISA-N 209.720 3.519 30 20 BHED CCCCCCNc1nc(C)cc(C)c1C#N 70192778 KVNFEGOQWGOUIA-UHFFFAOYSA-N 231.343 3.562 30 20 BHED CC(C)(C#N)CCNc1ccccc1Cl 83637860 NTXDGWVEWPJZMQ-UHFFFAOYSA-N 222.719 3.692 30 20 BHED CC(C)(C#N)CCCOc1cc(F)cc(F)c1 87609050 BTSSLPRGVZSOQX-UHFFFAOYSA-N 239.265 3.674 30 20 BHED Cc1ccccc1COc1ccc(C#N)c(F)c1 113649672 HRVQQPPAXBVKMY-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C#CCCCCC(=O)N[C@@H](CCC)CCCC 119958932 YKIJCRGNUGXFHQ-AWEZNQCLSA-N 237.387 3.655 30 20 BHED C=CC[C@@H](C)NC(=O)C1(CC(C)C)CCCC1 155302801 HAKLKHSNCMHDCZ-CYBMUJFWSA-N 237.387 3.674 30 20 BHED Cc1ccc(S[C@H](C)CCC#N)cc1 188210916 PYEGFGVDUNWDLQ-LLVKDONJSA-N 205.326 3.779 30 20 BHED CCC(C)(C)CN[C@H](C)c1cccc(C#N)c1 189992724 ZVBKECMMKHZBCO-GFCCVEGCSA-N 230.355 3.645 30 20 BHED C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)CCC1 190223585 VEALDILFWGTXID-MELADBBJSA-N 249.398 3.674 30 20 BHED C#CCCCNC1CC(c2cccc(Cl)c2)C1 228826805 NEOJNKYQRAOLHZ-UHFFFAOYSA-N 247.769 3.589 30 20 BHED CC(C)(C#N)CCCCN1CCc2ccccc21 232530183 UEEZJKSYQQYPBU-UHFFFAOYSA-N 242.366 3.769 30 20 BHED C[C@@H](S)c1ccc(F)cc1Br 235303162 NZCZLIUYQVSOCZ-RXMQYKEDSA-N 235.121 3.579 30 20 BHED N#Cc1ccnc(NCC2CCCCC2)c1Cl 236056512 HLUKZXFNTLZUQF-UHFFFAOYSA-N 249.745 3.599 30 20 BHED C#CC1(c2ccc(Br)cc2)CCC1 237999598 ZSXFDMILVHKSCC-UHFFFAOYSA-N 235.124 3.504 30 20 BHED C[C@@H](CCC#N)N[C@H](C)c1cccc(C2CC2)c1 298463253 RUYHHMCTHOUEAE-QWHCGFSZSA-N 242.366 3.907 30 20 BHED N#Cc1ccc(Cl)cc1N[C@H]1CC[C@H](F)C1 309576805 PATVPJVPOBZJAD-QWRGUYRKSA-N 238.693 3.514 30 20 BHED C=CCCN[C@]1(c2ccc(Cl)cc2)C[C@H]1C 309761606 ITSWDYLLAGNELQ-BXUZGUMPSA-N 235.758 3.741 30 20 BHED C=C(CC)CN[C@@H](C)c1ccc(F)c(C)c1 309767668 JUZHSXNXQOLNHU-LBPRGKRZSA-N 221.319 3.751 30 20 BHED CCC(CC)(CC)CNc1cc(C#N)ccn1 342702586 IDBZJRBCVQDLDQ-UHFFFAOYSA-N 231.343 3.582 30 20 BHED C[C@H]1CCN(CCCC#N)CC12CCCCC2 360620939 OYFFKLOIUKVPAW-AWEZNQCLSA-N 234.387 3.582 30 20 BHED C=C(C)CCN[C@@H]1CCCc2ccc(OC)cc21 386725245 ACDGJGZFWFJRIU-MRXNPFEDSA-N 245.366 3.628 30 20 BHED C=CC[C@@H](CC)NCc1ccc2c(c1)CCC2 393820134 PIODXBCKOHHCLH-MRXNPFEDSA-N 229.367 3.620 30 20 BHED CC(C)CCCC(=O)Nc1ccccc1CC#N 410830784 WWQGMQWWPQRNQQ-UHFFFAOYSA-N 244.338 3.517 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H](C)CCC(C)C 424566229 RBUSYKNWYGOTRR-LBPRGKRZSA-N 225.376 3.530 30 20 BHED C=CCCCSCc1sc(C)nc1C 437266322 FPLQEHKZVWAOJM-UHFFFAOYSA-N 227.398 3.959 30 20 BHED N#C[C@H]1CC[C@@H](Nc2cccc3c2CCCC3)C1 442855958 QQBWMAREOHXAAH-GXTWGEPZSA-N 240.350 3.670 30 20 BHED COc1ccccc1CS[C@@H]1CC[C@@H](C#N)C1 450841547 CMKDPSMLHYYQEF-DGCLKSJQSA-N 247.363 3.621 30 20 BHED C=CCC(C)(C)c1noc(C[C@@H]2CC[C@@H]3C[C@H]23)n1 453190213 SVXSRJWFJVXUMC-WOPDTQHZSA-N 246.354 3.512 30 20 BHED C=CCOCCCOc1c(C)ccc(C)c1C 478802885 WGCFIVQGTVAUCP-UHFFFAOYSA-N 234.339 3.583 30 20 BHED C=CCNC(C)(c1ccccc1)c1ccccc1 540403842 LBNKZJZJBUJASB-UHFFFAOYSA-N 237.346 3.726 30 20 BHED CC(C)(C)CCCn1nc(C#N)c2ccccc21 540807350 YSVPHFUSFTZJBN-UHFFFAOYSA-N 241.338 3.734 30 20 BHED C=CCCCCS[C@H](C)c1nc(CC)no1 562823957 FJRXYFXOQUJUGN-SNVBAGLBSA-N 240.372 3.783 30 20 BHED C=CCC[C@H](CC)N[C@H]1c2ccccc2O[C@H]1C 574960819 CINBLANHGBVOPU-HEHGZKQESA-N 245.366 3.843 30 20 BHED C=CCCCCNc1cc(C)ccc1NC(C)=O 581530448 IJTOQGXDNMAPMW-UHFFFAOYSA-N 246.354 3.722 30 20 BHED C=CC[C@H]1CCCC[C@@H]1NCc1ccc(O)cc1 657865618 UYHKATJATPSFFB-HOCLYGCPSA-N 245.366 3.617 30 20 BHED C=C[C@@H]1CCCCN1C[C@@H](CC)CC(F)F 660428809 GZKJYHSKLFKZHN-NWDGAFQWSA-N 231.330 3.708 30 20 BHED C#C[C@@H](NCc1ccc(SC)cc1)C(C)(C)C 702226733 DWGYGKHGKARQOZ-CQSZACIVSA-N 247.407 3.546 30 20 BHED C=CCCOC(=O)[C@H](c1ccccc1)[C@H](C)CC 740176562 SHFTUJPVIMDKNE-HIFRSBDPSA-N 246.350 3.936 30 20 BHED C[C@H]1C[C@@H]1C=NNc1cccc(Cl)c1F 758375018 NGCAIAJICIRMOB-JGVFFNPUSA-N 226.682 3.533 30 20 BHED C[C@H]1CC(C)(C)CC1=NOCCC(F)(F)F 766030057 RTRKGGWZJBRABR-QMMMGPOBSA-N 237.265 3.768 30 20 BHED C=CC[C@@H]1N(C(=O)/C=C/C=C/C)CCCC1(C)C 767218313 FQVJZCKKFCEFBY-INBKCFPLSA-N 247.382 3.712 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C1/CC[C@@H](C)C1 775923370 MHZYYLJVSZDXSG-PGSJZPBPSA-N 235.371 3.594 30 20 BHED CC[C@H](C)NN=C(C)C[C@@H](C)CC(C)C 790181557 FFEBCSXZRDGIAG-RYUDHWBXSA-N 212.381 3.823 30 20 BHED CC1(C)CCC(=NNCC2(C)CCCC2)C1 793081359 KFNMDRHVZWRSOM-UHFFFAOYSA-N 222.376 3.722 30 20 BHED CC(C)OCCON=C1CCCC[C@H]1C(C)C 812238689 DABYOWFAFZKIRF-ZDUSSCGKSA-N 241.375 3.630 30 20 BHED CCCC(=NNc1ccc(C)nn1)C1CCCC1 834956839 ZLKULZAPGKELLH-UHFFFAOYSA-N 246.358 3.543 30 20 BHED COCCCSCCCCC1(C#N)CCC1 901784625 WNTAVAOWCPLERZ-UHFFFAOYSA-N 241.400 3.620 30 20 BHED C=CCN(Cc1ccccc1)C(=O)/C=C/CCC 920455673 QAGRMPVTFYQOFX-KPKJPENVSA-N 243.350 3.558 30 20 BHED N#CC1(CCCCN2CC3CCC2CC3)CCC1 1334642445 VEXOOIJYHNJLLH-UHFFFAOYSA-N 246.398 3.725 30 20 BHED CCCCCCC(=O)Nc1ccc(CC#N)cc1 20976089 RUALZDORTQCAFL-UHFFFAOYSA-N 244.338 3.662 30 20 BHED N#Cc1ccc(N2CCCCCCC2)cc1Cl 61850792 HSQZCOMINMIGKI-UHFFFAOYSA-N 248.757 3.982 30 20 BHED C=CC[C@@H](C)N[C@@H](C)CCc1ccccc1 116907733 DFNAMXKNKSJHHN-KGLIPLIRSA-N 217.356 3.562 30 20 BHED C#CCCCCC(=O)NCC1CCC(C)(C)CC1 120063822 GSKWOJRAFDSGAA-UHFFFAOYSA-N 249.398 3.513 30 20 BHED C=CCC(CC=C)C(=O)N(C)CC1CCCCC1 176929090 PJPHZGCGEVDWBB-UHFFFAOYSA-N 249.398 3.794 30 20 BHED C[C@@H](CCC#N)Sc1ncccc1Cl 188285855 FCAGUVWRBVPNDN-QMMMGPOBSA-N 226.732 3.519 30 20 BHED C=CCC1(c2nc(-c3ccsc3)no2)CCC1 191227522 ULQHEKVZIDWANQ-UHFFFAOYSA-N 246.335 3.796 30 20 BHED C[C@@H](NCC1CCCC1)c1ccc(C#N)c(F)c1 271958623 SXNGXCUWVDMYIC-LLVKDONJSA-N 246.329 3.538 30 20 BHED C=CCCN(C)C(=O)CC[C@@H](C)c1ccccc1 276432304 RTTAPOIKOJSJAC-CQSZACIVSA-N 245.366 3.605 30 20 BHED C=CC[C@H](CC)N[C@@H]1CS[C@H](C(C)(C)C)C1 309413955 CGDBIRAJNZJTSN-AVGNSLFASA-N 241.444 3.851 30 20 BHED Cc1cncc(CSc2ccc(C#N)cc2)c1 334608368 NHBBQVKWDXEQCB-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=C(CC)CN(C)Cc1nc2ccccc2s1 358633445 RTZXDFQGYHGYJA-UHFFFAOYSA-N 246.379 3.694 30 20 BHED Cc1cc(C)cc([C@H](C)NCC(C)(C)CC#N)c1 414165403 LWRXPUMJHMOKOL-AWEZNQCLSA-N 244.382 3.894 30 20 BHED COc1cc(C#N)ccc1CSCC(C)(C)C 440589362 SNEZLCYPWRULIO-UHFFFAOYSA-N 249.379 3.846 30 20 BHED CC1(CSCC2(C#N)CC2)CCCCC1 451013799 BJMTVFKZSFZXKC-UHFFFAOYSA-N 223.385 3.994 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H](C)CC(C)(C)C 457186388 DQZQQDJGOBBSTG-BXUZGUMPSA-N 225.376 3.530 30 20 BHED C=CC[C@@H](CC)NC[C@H](C)c1ccc(F)cc1 467524388 YHROTNQMGMKZQS-SWLSCSKDSA-N 235.346 3.874 30 20 BHED C=CCCC(=O)NCC(C)(C)C1CCCCC1 498888870 CZTQLWWDNRQBSJ-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C[C@H]1CC(C)(C)CC[C@H]1Nc1cnccc1C#N 538741993 GJILIYCHBCBWDF-WCQYABFASA-N 243.354 3.580 30 20 BHED C=C(CC)CNc1cccc(NC(=O)C(C)C)c1 539096019 YPKXGQFAIUANGV-UHFFFAOYSA-N 246.354 3.659 30 20 BHED C=CCC[C@H](CC)Nc1cccc2c1OCO2 541137184 MYZHMFNTKUJHGG-NSHDSACASA-N 233.311 3.572 30 20 BHED C=CCCCc1nc(-c2cc(F)ccc2C)no1 545707921 FQPGRDSBVMEUBV-UHFFFAOYSA-N 246.285 3.693 30 20 BHED C=C(CC)CN1CC[C@H](c2ccc(F)cc2)C1 552950256 IXEFGUGAXPPDSE-AWEZNQCLSA-N 233.330 3.581 30 20 BHED CCC[C@H](CC)Sc1nnc(C)c(C)c1C#N 561317433 DLKYVYBXTPCDQL-NSHDSACASA-N 249.383 3.636 30 20 BHED CC(C)[C@@H](C)SCc1ccc(C#N)s1 568648174 VBQQWRINZPXBOJ-SECBINFHSA-N 225.382 3.897 30 20 BHED C=C[C@H](C)N[C@@H]1CCc2cc(F)c(Cl)cc21 623904340 AOYQTUXXMZFIIU-ISVAXAHUSA-N 239.721 3.631 30 20 BHED C=CCC1(C(=O)NC[C@@H]2CCCC2(C)C)CCC1 647521711 BGYCTHIXKSMDKV-ZDUSSCGKSA-N 249.398 3.675 30 20 BHED C=CCCCCCSc1nnc(CC)s1 657273733 RPGRETWYOWITSO-UHFFFAOYSA-N 242.413 3.939 30 20 BHED CC#CCCCC(=O)Nc1ccc(/C=C/C)cc1 673352768 CKYFMLCGRFSITH-XBXARRHUSA-N 241.334 3.852 30 20 BHED CCC(=NNc1cccc(OC)c1)C(C)C 725853855 UJWHKRYUWZBKTC-UHFFFAOYSA-N 220.316 3.529 30 20 BHED Cc1cc(C(=O)/C=C/c2ccsc2)ccc1O 728230151 ALXKFYLJNPBBPS-DUXPYHPUSA-N 244.315 3.658 30 20 BHED C=CCCCN1Cc2ccccc2[C@H](C)C1 735492075 IZRPBSHALNONFV-CYBMUJFWSA-N 215.340 3.572 30 20 BHED Clc1ccc2c(c1)CCC2=NNC1CCCC1 743439202 VTIPTDSXCQIQCE-UHFFFAOYSA-N 248.757 3.523 30 20 BHED C=CCCCC(=O)Oc1ccc(Cl)cc1C 748515817 SXYMCIHJABQGMM-UHFFFAOYSA-N 238.714 3.910 30 20 BHED CC[C@@H](C)C=NNc1ccc(F)cc1C 755815233 QITZSWLEOHBKSN-SECBINFHSA-N 208.280 3.578 30 20 BHED CCc1cnccc1C(C)=NOC1CCCCC1 777457611 YRUZFXGYPRWQOU-UHFFFAOYSA-N 246.354 3.717 30 20 BHED CCCCCCCCCS(=O)(=O)CC(C)C 790144615 WRUUDXUHDWLSNM-UHFFFAOYSA-N 248.432 3.808 30 20 BHED C#CCCCN[C@@H](C)[C@H](C)c1ccc(Cl)cc1 792998811 CGSZYSZYIANNHC-STQMWFEESA-N 249.785 3.835 30 20 BHED CC(C)[C@@H]1CCCC(=NOCc2cccnc2)C1 794522740 BLIRDLJDTRIURC-CQSZACIVSA-N 246.354 3.800 30 20 BHED CCCCCCCCC(=O)NCCC(C)(F)F 833079881 ZHTAQMGLOBAOMB-UHFFFAOYSA-N 249.345 3.899 30 20 BHED C=C(C)CCN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21 834881924 GJCHHQZTEAPGME-CMPLNLGQSA-N 249.329 3.635 30 20 BHED CC(CC(C)(C)C)=NNc1cc(Cl)ccn1 834970560 NEURWIQLFJDFAK-UHFFFAOYSA-N 239.750 3.959 30 20 BHED CC[C@H](C)CC=NNc1cccc(Cl)n1 834981619 UQSNSXPFINHMNJ-VIFPVBQESA-N 225.723 3.569 30 20 BHED C=C(C)C(C)(C)C(=O)OC[C@H](CC)CC(F)F 845758096 ULHYBNUUPDEJEY-SNVBAGLBSA-N 248.313 3.813 30 20 BHED C=CCN(C(=O)c1cccc(C2CC2)c1)C(C)C 846812274 UPPLKOZOBWHNAK-UHFFFAOYSA-N 243.350 3.601 30 20 BHED C=C(C)CCc1noc(-c2ccc(CF)cc2)n1 854058585 RBFDHBAFMVTVPW-UHFFFAOYSA-N 246.285 3.715 30 20 BHED C[C@@H](SCCOC1CC1)c1cccc(C#N)c1 902371095 XEMKCBFLSSOWDP-LLVKDONJSA-N 247.363 3.531 30 20 BHED CC(C)(C#N)CN[C@@H](CC1CC1)c1ccccc1 903100693 VSVXXNFYQHTGTR-HNNXBMFYSA-N 242.366 3.667 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)[C@H](C)CCCC 1337558372 PRLYKQYXHMSPQP-ZIAGYGMSSA-N 237.387 3.770 30 20 BHED C=C(C)CCC(=O)N[C@@H](CC)c1ccccc1 1349558966 IINWTQBNYLSFIO-AWEZNQCLSA-N 231.339 3.610 30 20 BHED N#Cc1cccc(CSc2ccccc2)c1 19847532 LTXAECIJQDNLDN-UHFFFAOYSA-N 225.316 3.851 30 20 BHED C#Cc1cccc(NCc2ccc(C)c(C)c2)c1 37185218 WIGXIDVJQDLFRV-UHFFFAOYSA-N 235.330 3.897 30 20 BHED CN(CCCCC#N)Cc1ccc(Cl)s1 42223590 IFIPDEHWQUTXQI-UHFFFAOYSA-N 242.775 3.527 30 20 BHED N#Cc1cc(C(F)(F)F)ccc1NC1CCC1 52211498 VYUIVNGLUJWTBM-UHFFFAOYSA-N 240.228 3.541 30 20 BHED C=C(CC)COc1ccc([N+](=O)[O-])c(Cl)c1 87543443 IIDAQMFUJMIHLH-UHFFFAOYSA-N 241.674 3.593 30 20 BHED CC(C)[C@@H](C)Sc1snc(Cl)c1C#N 92658859 HPPXAOYSOKBTFU-ZCFIWIBFSA-N 246.788 3.805 30 20 BHED CC[C@H]1CCC[C@H](NCc2cc(C#N)cs2)C1 93492686 IOSZIDDEBFLJDO-AAEUAGOBSA-N 248.395 3.678 30 20 BHED CCCCCCCCS[C@H](C)CCO 116773609 MHSVKQTVOZLCTA-GFCCVEGCSA-N 218.406 3.851 30 20 BHED O=CCCCCCCCCCCCCC(=O)O 117784029 VRNVZSGJXRCUTI-UHFFFAOYSA-N 242.359 3.951 30 20 BHED C[C@@H](CC1CCC1)Nc1cccc(OCC#N)c1 169277537 RUZAOXATIUSLCP-LBPRGKRZSA-N 244.338 3.580 30 20 BHED C=CCCCC(=O)N1c2ccccc2CC[C@H]1C 175607568 OKJAMUBFLZXGOS-CYBMUJFWSA-N 243.350 3.711 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1cc(C)ccc1C 182588101 RUFMPAQQPZZIER-CQSZACIVSA-N 245.366 3.778 30 20 BHED CC#CCCCC(=O)O[C@@H](C)c1ccccc1F 186127626 CRGJKJCATSMRQE-LBPRGKRZSA-N 248.297 3.624 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccccc1C 189752684 NOYRLYDCWRBESA-AWEZNQCLSA-N 217.312 3.536 30 20 BHED O=C(/C=C\c1ccc(F)c(F)c1)c1ccccc1 206087020 VNLFNIRJXBOQRP-CLFYSBASSA-N 244.240 3.861 30 20 BHED Cc1ccc(C#N)cc1OCc1ccc(F)cc1 229947773 QJASOFAZHWOUCQ-UHFFFAOYSA-N 241.265 3.585 30 20 BHED CN(CCCCC(C)(C)C#N)c1ccc(F)cc1 234273428 GPNVHOYWEDFFMM-UHFFFAOYSA-N 248.345 3.982 30 20 BHED COc1cccc(CS[C@@H]2CC[C@@H](C#N)C2)c1 278603230 QWTDBZYISUPTDO-BXUZGUMPSA-N 247.363 3.621 30 20 BHED CC[C@H](N[C@H]1CC=CCC1)c1ccc(C#N)cc1 278719828 MDGGBQXJHXSEAU-HOTGVXAUSA-N 240.350 3.708 30 20 BHED C=CCCCCN[C@H](C)c1cccc(F)c1F 310233411 ZNVGFGIQJUILND-LLVKDONJSA-N 239.309 3.972 30 20 BHED Cc1ccc(CNCC(C)(C)CCC#N)cc1C 342313038 LLANAAPVRUVYGK-UHFFFAOYSA-N 244.382 3.723 30 20 BHED C=CCC[C@@H](CCC)N[C@H]1CCC1(C)C 380356869 WZSYRXDMUUIALS-OLZOCXBDSA-N 209.377 3.900 30 20 BHED C=C[C@H](C)N[C@@H]1CCCc2ccc(Cl)cc21 390415226 GWFRNPFDVKYOHJ-IINYFYTJSA-N 235.758 3.882 30 20 BHED C=CCC[C@@H](NCCc1ccc(F)cc1)C1CC1 439075812 GRDVIMKFCBRBER-MRXNPFEDSA-N 247.357 3.703 30 20 BHED C=C[C@@H](C)NCc1cc2ccccc2cc1OC 449191998 QAYIQYMCDKYDLU-GFCCVEGCSA-N 241.334 3.513 30 20 BHED C=CCCC1(C(=O)Nc2cccc(F)c2C)CC1 476188726 JOEFWVFHRLIINX-UHFFFAOYSA-N 247.313 3.819 30 20 BHED C=CCCCSc1ncc(C(C)C)n1C 476563776 QPXCFDCALQZTSJ-UHFFFAOYSA-N 224.373 3.602 30 20 BHED C=C(C)CCNCc1ccsc1C(F)(F)F 527711244 CHLZDYQCLVINLE-UHFFFAOYSA-N 249.301 3.823 30 20 BHED C=CCCCC(=O)N[C@H]1CCCC[C@@H]1CCC 530882668 ROUMOOYEMJRWRJ-KBPBESRZSA-N 237.387 3.818 30 20 BHED C=C(CC)CN(CC)Cc1c(F)cccc1F 538001853 GXRMPHSVQAZUNM-UHFFFAOYSA-N 239.309 3.753 30 20 BHED CC[C@H]1CCC[C@@H](CN2CCC(CC#N)CC2)C1 542486937 WFNSAEJHFXKUFU-GOEBONIOSA-N 248.414 3.828 30 20 BHED C=CCC(C)(C)c1noc([C@@](C)(C=C)CC)n1 560029930 VEWGKMBWVTUNLA-AWEZNQCLSA-N 234.343 3.777 30 20 BHED CC#CCN[C@@H](C)c1ccc(F)c2ccccc12 576234459 DUTHXGVTCOODDE-LBPRGKRZSA-N 241.309 3.653 30 20 BHED CC(C)c1ccc(C(C)(C)NCCC#N)cc1 591017674 DMENNBOAYAYLMV-UHFFFAOYSA-N 230.355 3.548 30 20 BHED Cc1cccc(OCC2(CC#N)CC2)c1Cl 596278217 NBHIPKKYSCSIOE-UHFFFAOYSA-N 235.714 3.721 30 20 BHED CC(C)N(CCC#N)Cc1cscc1Cl 611259196 VSVUFXSONACKHB-UHFFFAOYSA-N 242.775 3.526 30 20 BHED C[C@@H](CC(C)(C)C#N)NCC1C(C)(C)C1(C)C 695811565 JSAOXCXJYMVWMU-NSHDSACASA-N 236.403 3.587 30 20 BHED C[C@@H](C=Nn1cnc2ccccc21)c1ccccc1 725849472 IZVQMBQYKFZNML-ZDUSSCGKSA-N 249.317 3.674 30 20 BHED C=CCCCCCN(C)C(=O)/C=C(/C)C1CC1 739654319 LZRUIBIDVUHKRF-SEYXRHQNSA-N 235.371 3.548 30 20 BHED C=C(C)CCOC(=O)c1ccc(Cl)cc1F 744303836 ZOWLLULACFRYET-UHFFFAOYSA-N 242.677 3.602 30 20 BHED CON=C1C[C@@H](c2ccccc2)C[C@@H](C)C1 749859759 YIAYJQYTLVWZFQ-YPMHNXCESA-N 217.312 3.593 30 20 BHED CCCCC=NNc1ncc(Cl)cc1Cl 755541516 JOHQBIPKRVORBI-UHFFFAOYSA-N 246.141 3.976 30 20 BHED Oc1ccc2ccccc2c1/C=N\C1CC=CC1 759643891 PIJTWKHGUCUCHL-BOPFTXTBSA-N 237.302 3.683 30 20 BHED CC(CCCC(C)C)=NNc1ccccn1 764664229 BXVKNMPFMOQBIX-UHFFFAOYSA-N 219.332 3.696 30 20 BHED CCCCc1oc2ccccc2c1C=NOC 767488853 BEUFDXUTQVOQIV-UHFFFAOYSA-N 231.295 3.756 30 20 BHED C=CCC[C@H](Nc1ccc(OC)c(F)c1)C1CC1 776811241 LRKNZPPSWPDUGX-AWEZNQCLSA-N 249.329 3.991 30 20 BHED CC(=NOC1CCCCC1)c1ccc(C#N)s1 777457173 ODCCAYGLLHOXPN-UHFFFAOYSA-N 248.351 3.693 30 20 BHED C=CCCOC(=O)[C@@H](CCC=C)c1ccccc1 778554220 KKFSMCITTOKMJD-HNNXBMFYSA-N 244.334 3.856 30 20 BHED CC(Cc1cccs1)=NN[C@@H](C)C(C)(C)C 793118053 ZWPNEFYNRHLJJW-NSHDSACASA-N 238.400 3.691 30 20 BHED C=CCNN=C1CCC2(CCCCC2)CC1 794999555 JZNSUQWVIZWQGO-UHFFFAOYSA-N 220.360 3.643 30 20 BHED CCCCCCCCOC(=O)[C@@](C)(C#N)CC 796837497 AMWMSCWLKSKHMS-CQSZACIVSA-N 239.359 3.830 30 20 BHED CC(=NOC1CCC1)c1ccc(C#N)cc1Cl 812235800 QLVZLESJYNOTEA-UHFFFAOYSA-N 248.713 3.505 30 20 BHED C(=NOCC1CC1)c1csc2ccccc12 814242241 WIVSULRSTZAMSS-UHFFFAOYSA-N 231.320 3.662 30 20 BHED CCC(=NNc1cccc(F)c1)c1ccco1 814815086 MNMOPIUBRFEHAV-UHFFFAOYSA-N 232.258 3.645 30 20 BHED C=CCC(C)(C)CNC(=O)C=C1CCCCC1 817457533 SYYFUOAGYYGASF-UHFFFAOYSA-N 235.371 3.595 30 20 BHED CSCC1CCC(=NOCC(C)C)CC1 834967131 XWKKTKBJAZCHGF-UHFFFAOYSA-N 229.389 3.568 30 20 BHED N#CCOc1cccc(OCC2CCCCC2)c1 842110986 UTPDORAHENBDTC-UHFFFAOYSA-N 245.322 3.548 30 20 BHED C=C[C@@H](C)ON=C1CC(c2cccc(F)c2)C1 844621804 NHWLPWSUTOBGNQ-RWANSRKNSA-N 233.286 3.650 30 20 BHED C[C@@H]1CC[C@H](OC(=O)CC2(C#N)CCCCC2)C1 849907000 OOIVTPXJWYYBLJ-OLZOCXBDSA-N 249.354 3.582 30 20 BHED CC(CC(C)(C)C#N)=NNc1cc(F)ccc1C 853393602 MWSLCHUOHTXLLJ-UHFFFAOYSA-N 247.317 3.862 30 20 BHED C=CCCCCC[C@@H](C)NCc1cccc(N)c1 854216112 VBHCUHIBABDZKW-CQSZACIVSA-N 246.398 3.883 30 20 BHED C=CCOCSc1ncc(C(C)(C)C)s1 865359553 PGCITYNMPIDOLD-UHFFFAOYSA-N 243.397 3.693 30 20 BHED C=CC(C)(C)CC(=O)Nc1cccc(OC)c1C 880838567 NJPCTTPKSCEZAO-UHFFFAOYSA-N 247.338 3.544 30 20 BHED CCCCC(C)=NNc1ccc(C#N)cc1 915962402 QJXWYDWBQSLPSE-UHFFFAOYSA-N 215.300 3.536 30 20 BHED Cc1cccc(NN=Cc2ccccc2F)c1 916255804 ARBXDPKJMZNAOR-UHFFFAOYSA-N 228.270 3.580 30 20 BHED C=C(Cl)CN1CCC[C@H]1/C=C\c1ccccc1 1198270482 LKHPUVFBKJRQOO-KVPUOBJLSA-N 247.769 3.917 30 20 BHED CC(C)c1nc(C=NOC2CCCC2)cs1 1320601433 BLJBTLOFCYDCCS-UHFFFAOYSA-N 238.356 3.560 30 20 BHED Cc1ccc(C)c(CN(CCC#N)CC(C)C)c1 49800812 UXBOUZDEZXJZFZ-UHFFFAOYSA-N 244.382 3.675 30 20 BHED CC(C)CN(CCC(C)(C)C#N)CC(C)C 87595214 VBORJJGMUGMACM-UHFFFAOYSA-N 224.392 3.540 30 20 BHED N#Cc1ccc(C(=O)/C=C\c2ccsc2)cc1 96766312 PEQOWDPLGSMOGI-UTCJRWHESA-N 239.299 3.516 30 20 BHED C#CCCNc1ccccc1-c1ccccc1 110923221 VISVEOPVOXUDRT-UHFFFAOYSA-N 221.303 3.789 30 20 BHED C=CCCSCc1cc(F)ccc1C#N 125676126 ZJELARYNZNEUNR-UHFFFAOYSA-N 221.300 3.507 30 20 BHED C=CCCCC[C@H](C)NCc1cccs1 131928637 ZKJOYQFPFIMRFF-LBPRGKRZSA-N 223.385 3.973 30 20 BHED CCCCCCC[S@@](=O)c1ccccc1 139333429 RMKRUGFJAGKJNQ-HNNXBMFYSA-N 224.369 3.765 30 20 BHED Cc1cc(C)cc(N[C@@H]2CCC[C@@H](C#N)C2)c1 185723522 ONJILIXKIQSHMT-ZIAGYGMSSA-N 228.339 3.798 30 20 BHED C=CCC1(C(=O)N[C@H](C)C[C@H](C)CC)CCC1 188287889 BCVYRGFUVFORGY-CHWSQXEVSA-N 237.387 3.674 30 20 BHED C=C[C@@](C)(CC)C(=O)N(C)C1CCCCCC1 191817838 NKZOTMCANITDPI-HNNXBMFYSA-N 237.387 3.770 30 20 BHED C=CCCCCN[C@H](C)c1cnn(C(C)C)c1C 276499157 JDCIQAIFOKXVNP-CYBMUJFWSA-N 249.402 3.779 30 20 BHED C=C(C)CCNc1cccc(F)c1Cl 306436939 DWYCIMMWFYQSEG-UHFFFAOYSA-N 213.683 3.857 30 20 BHED C=CCCCNc1cccc(Cl)c1OC 309085876 XLDCUNVIBUXJAE-UHFFFAOYSA-N 225.719 3.727 30 20 BHED CC(C)C[C@H](C)C[C@H](C)NCC(C)(C)C#N 309599014 JLIGOYWWDMMJKD-STQMWFEESA-N 224.392 3.587 30 20 BHED C=CCCCCNCc1ccc2cnccc2c1 311074888 ZZFYHLUKJYTXQA-UHFFFAOYSA-N 240.350 3.681 30 20 BHED CSCCCSc1ccc(C#N)cc1F 319778270 WXJARZWXZPKBKJ-UHFFFAOYSA-N 241.356 3.543 30 20 BHED C=CCCC(=O)N(CC(C)C)c1ccccc1 338606112 LNLWQEIWLCGXCT-UHFFFAOYSA-N 231.339 3.642 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@H]1CCCC[C@H]1C 424843934 JXTXESBQSKHXSI-CHWSQXEVSA-N 237.387 3.531 30 20 BHED Cc1ccccc1NCC#Cc1ccc(F)cc1 433410596 OBCREEVESNBIPS-UHFFFAOYSA-N 239.293 3.598 30 20 BHED Cc1ccc([C@@H](C)NCC2(C#N)CCC2)cc1C 450668626 OFXIVLYYCHXPAR-CQSZACIVSA-N 242.366 3.648 30 20 BHED CC#CCCN1CCCC[C@@H]1c1ccccc1 462447429 ODKDCXWGHNDRSE-MRXNPFEDSA-N 227.351 3.627 30 20 BHED C=C[C@@H](C)NC(=O)[C@@H](CCC)CC1CCCC1 465121675 SRRPBKMEIWBWPZ-OCCSQVGLSA-N 237.387 3.674 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C 468008380 ZYUJMKUUYDOJCV-RGCMKSIDSA-N 237.387 3.530 30 20 BHED C=C(C)CS[C@H](C)c1ccccc1[N+](=O)[O-] 477012167 QWHMJFCKENRXML-SNVBAGLBSA-N 237.324 3.965 30 20 BHED C=CCCCCSCCc1cscn1 515049601 MGYSVXJXDMYVBD-UHFFFAOYSA-N 227.398 3.775 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1ccc(C)c(F)c1 540539608 OFDSNQSDPSXOLF-GFCCVEGCSA-N 249.329 3.609 30 20 BHED C=CCCN1C[C@@H](c2ccc(C)cc2)C[C@H]1C 549037307 LJFSXZPEMMBXMP-ZBFHGGJFSA-N 229.367 3.749 30 20 BHED C=CCC(C)(C)c1noc(/C=C(\C)C2CC2)n1 551139532 GSLIGHNRORXFIH-MDZDMXLPSA-N 232.327 3.737 30 20 BHED Cc1ccccc1[C@@H](C)N1CCC[C@@H](CC#N)C1 595613172 AFQLHCYGVGAMTK-CABCVRRESA-N 242.366 3.682 30 20 BHED N#CC1(CSCCC2CCC2)CCC1 596367982 GPUKIQYTJKPUGE-UHFFFAOYSA-N 209.358 3.604 30 20 BHED C=CCCCOC(=O)c1cccc(OCCC)c1 735530982 STBLHQYYRFNHGD-UHFFFAOYSA-N 248.322 3.598 30 20 BHED CC1(C)CCC(=NNCc2ccccc2)CC1 735972604 KHPCFSSCEUMJPR-UHFFFAOYSA-N 230.355 3.732 30 20 BHED C=CCCN(CC)c1ccc(Cl)cc1 739912251 IIWUWZBUHFYULH-UHFFFAOYSA-N 209.720 3.742 30 20 BHED CCCCCCCCC(=O)N1C[C@@H](C)C[C@@H]1C 740839140 HXRGZDIUADIPDQ-KBPBESRZSA-N 239.403 3.994 30 20 BHED CCCCCCCCC(=O)N1CCC(C)(C)C1 742875757 KQSUMZUZGCFLFA-UHFFFAOYSA-N 239.403 3.996 30 20 BHED CC[C@H](C)C[C@@H](C)/N=C\c1c(O)cccc1OC 743042514 LTFMVHZIMIPDBY-ADINIEGLSA-N 249.354 3.644 30 20 BHED CC/C=C(\C)C(=O)NCCCCCCCC 754853314 FFIOSNVQHIOIBO-ACCUITESSA-N 225.376 3.819 30 20 BHED Cc1cc(OC/C(Cl)=C\Cl)ccc1C#N 766068727 RLXCXVVPLXAZMX-BJMVGYQFSA-N 242.105 3.565 30 20 BHED CC[C@@H]1CCCCC1=NOCc1cccnc1 779786561 ZTAJYHSMZURSDD-CYBMUJFWSA-N 232.327 3.554 30 20 BHED C1CCC2(CC1)CCC(=NNC1CC1)CC2 786037555 SAEWGPNBPBHXIB-UHFFFAOYSA-N 220.360 3.619 30 20 BHED C=CCCCCC[C@@H](C)N[C@]1(C)CCCOC1 793529987 CONCIHGDKXBMKL-HUUCEWRRSA-N 239.403 3.670 30 20 BHED C#CCCCC(=O)Nc1cc(C)c(Cl)c(C)c1 799451534 YNGNYCKMVMAKAY-UHFFFAOYSA-N 249.741 3.699 30 20 BHED C=CCCCCCNc1cccc2c1COC2=O 809200771 JCDCRSIUZDXBAN-UHFFFAOYSA-N 245.322 3.515 30 20 BHED CC(CCc1cccc(F)c1)=NOC1CCC1 812235979 TXYHCZSKQGJBQQ-UHFFFAOYSA-N 235.302 3.703 30 20 BHED C1CC[C@H]2CC(=NOCC3CC3)CC[C@@H]2C1 814244727 HCSJTHVYWZXURU-STQMWFEESA-N 221.344 3.759 30 20 BHED CC[C@@H]1CCCCC1=NOCCC1CC1 814247275 ZBGKWPWMUFHACZ-GFCCVEGCSA-N 209.333 3.759 30 20 BHED CCOc1ccc(NN=C2CCC23CCC3)cc1 814984824 KBTLKJCDXHZNFT-UHFFFAOYSA-N 244.338 3.817 30 20 BHED Cc1ccc(S[C@@H](C)CCC#N)s1 830056835 ILWIBJVCWJIHFZ-QMMMGPOBSA-N 211.355 3.841 30 20 BHED CCC(=NNc1cccc(OC)c1)[C@H]1C[C@H]1C 841616186 FDOYHHLVZQXTQR-MFKMUULPSA-N 232.327 3.529 30 20 BHED Cc1cccc(F)c1NN=C1CCC[C@@H]2C[C@H]12 841634959 ZMTVLDPKAPHJCF-MNOVXSKESA-N 232.302 3.722 30 20 BHED CCCCCCCCN[C@H](C)c1cncnc1C 848533126 OEXHCXBEABNRNA-CYBMUJFWSA-N 249.402 3.796 30 20 BHED C=C[C@H](CC)CC(=O)Nc1c[nH]c2ccccc12 888115984 CRNQJKJTFQSONT-LLVKDONJSA-N 242.322 3.709 30 20 BHED Cc1ccc([C@@H](C)C=NOC(C)(C)C)cc1 1329109962 DMGLUDMCMLENKS-LBPRGKRZSA-N 219.328 3.899 30 20 BHED C[C@@H](C#N)S[C@H]1CCCc2ccccc21 68224548 CTUNDZQZQPRMRP-GWCFXTLKSA-N 217.337 3.709 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)c1ccccc1 96033670 PMIZJBZWVQJHJJ-OLZOCXBDSA-N 203.329 3.692 30 20 BHED CC(C)OCCS[C@H](C)c1ccc(C#N)cc1 118444363 VTEZISLVFMZNSI-GFCCVEGCSA-N 249.379 3.777 30 20 BHED Cc1cc(C#N)ccc1CN(C)C1CCCCC1 165432095 BHIJOTSAEAWTGI-UHFFFAOYSA-N 242.366 3.631 30 20 BHED CCC(CC)(CC)CN[C@@H]1CCC[C@@H](C#N)C1 185859028 JIQLRBHWGASXOE-ZIAGYGMSSA-N 236.403 3.875 30 20 BHED C=CCC1(C(=O)N2C[C@@H](C)CCC[C@@H]2C)CCC1 191907101 WWWUSZVIBSUGIH-KBPBESRZSA-N 249.398 3.770 30 20 BHED CC1(C)CC[C@@H]1N[C@H](CCC#N)c1ccccc1 284479910 USZFXXDOUVIHPR-CABCVRRESA-N 242.366 3.810 30 20 BHED C=CCC[C@H](NCC(=C)Cl)c1ccco1 285932511 CZBCZAUMTPJFLP-NSHDSACASA-N 225.719 3.629 30 20 BHED C=C(Br)CSc1ccc(C)cc1 307726936 DMWJVNFIIIKFMD-UHFFFAOYSA-N 243.169 3.996 30 20 BHED C[C@H]1C[C@@H](Nc2cccc(CC#N)c2)CC[C@H]1C 313483917 USYLFOIVSMTNEA-WWGRRREGSA-N 242.366 3.989 30 20 BHED CCC[C@@H](NCCCC(C)(C)C#N)C1CCC1 324954630 IBIMHHCINPUBBB-CQSZACIVSA-N 236.403 3.875 30 20 BHED C=CCc1ccc(OCC2CCC2)c(OC)c1 338147103 DTHNEJKTESUESH-UHFFFAOYSA-N 232.323 3.603 30 20 BHED C[C@@H](SCC1(C#N)CC1)c1ccccc1F 347051483 AEYWICGWPVYBMJ-SNVBAGLBSA-N 235.327 3.924 30 20 BHED C=CCC(C)(C)CN[C@@H]1CCC[C@@H]1C1CC1 378847918 BGUVVBBRNQBIEV-ZIAGYGMSSA-N 221.388 3.757 30 20 BHED C[C@@H](CC(C)(C)C)Nc1ccc(OCC#N)cc1 384940031 QSGNDUMIQBPZQB-LBPRGKRZSA-N 246.354 3.826 30 20 BHED C#CCCCN(Cc1ccccc1)[C@H](C)C1CC1 385203983 SPLGAFZNBMQTKZ-OAHLLOKOSA-N 241.378 3.701 30 20 BHED C=CCCCC[C@H](C)NCc1ccnc(C)c1 449404074 TYGZDSXLFIBPLM-ZDUSSCGKSA-N 232.371 3.615 30 20 BHED C=CCC[C@@H](C)N[C@@H]1C[C@@H](C)Oc2ccccc21 449422465 DIIQNSYISDZDPB-UMVBOHGHSA-N 245.366 3.843 30 20 BHED C=CC(C)(C)CNCc1ccc2occc2c1 449484826 JMHGPNYUYVZHGD-UHFFFAOYSA-N 229.323 3.735 30 20 BHED C=CCC[C@@H](NCC(=C)CC)c1ccco1 453366213 PGEJSTJUFVZXFL-CYBMUJFWSA-N 219.328 3.843 30 20 BHED C=CCC[C@H](CC)N[C@H](C)CCc1ccco1 461819053 SHSLCYCSDPFEKZ-KGLIPLIRSA-N 235.371 3.935 30 20 BHED C=CCC[C@H](CC)N[C@@H](CC)C1CCOCC1 462109395 QHICGUVMOGZESR-GJZGRUSLSA-N 239.403 3.526 30 20 BHED CC1(CN[C@H]2CC[C@H](C#N)C2)CCCCCC1 472149560 CLRXDYOANUWQEE-KBPBESRZSA-N 234.387 3.629 30 20 BHED C=C[C@@H]1CCCCN1CCCCC(C)(C)C#N 489436544 NJBNMBFNNRNVIV-CQSZACIVSA-N 234.387 3.747 30 20 BHED C=CCCCCS[C@H](C)c1cnccn1 515144980 KFLVNUBFIJLCCD-LLVKDONJSA-N 222.357 3.627 30 20 BHED CC(C)[C@H]1CCC[C@H](Nc2cccc(C#N)n2)C1 524582199 DUKBHTONLHORAB-STQMWFEESA-N 243.354 3.580 30 20 BHED CCC[C@]1(C)CCCN([C@H]2CC[C@@H](C#N)C2)C1 555377704 SIPYDWAHBUSUFN-QLFBSQMISA-N 234.387 3.581 30 20 BHED C=CCC(C)(C)c1noc([C@@H]2CC23CCCC3)n1 560026174 GEQJBNDTCVBISD-NSHDSACASA-N 246.354 3.971 30 20 BHED C=CCCCCSCc1nc(C(C)C)no1 579334536 RBPJBDXVXROZAC-UHFFFAOYSA-N 240.372 3.783 30 20 BHED C/C=C/c1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1 581030099 JJWOQKSAYHAAJT-MZSZDEQASA-N 226.323 3.824 30 20 BHED C=CCCCN1CCC[C@@H]1Cc1ccc(F)cc1 605150107 RDWBTGNUIXMSQG-MRXNPFEDSA-N 247.357 3.799 30 20 BHED C=CCCCN(CC(C)C)C1CCCC1 605150248 RUKNQZUBGMITHB-UHFFFAOYSA-N 209.377 3.853 30 20 BHED C=C(CC)CSCc1ccc(C)cn1 611469911 DDVLCEMFNJGKHF-UHFFFAOYSA-N 207.342 3.589 30 20 BHED C=CCC1(NCC2CCSCC2)CCCC1 639321988 QKOIAHDUQDYENZ-UHFFFAOYSA-N 239.428 3.608 30 20 BHED C=C(C)CCc1noc([C@@H](C)C2CCCC2)n1 671670987 XITKGMHFDWLLFZ-NSHDSACASA-N 234.343 3.872 30 20 BHED CCCCCCCN[C@@H]1CCO[C@H](CC)C1 705951208 FLAAOKISAYPMAI-ZIAGYGMSSA-N 227.392 3.504 30 20 BHED C=CCCOC(=O)c1occc1-c1ccccc1 729073199 FVJHSFAIRHVEIB-UHFFFAOYSA-N 242.274 3.680 30 20 BHED CCCCCCCCC(=O)N(CC)CC1CC1 732642957 AVNOBGXISMRLQN-UHFFFAOYSA-N 239.403 3.996 30 20 BHED C#CCCN1CCC[C@H]1[C@@H](CC)c1ccccc1 760819398 JIELWKRRDWOWKO-IRXDYDNUSA-N 241.378 3.668 30 20 BHED C#CCCCN1C[C@H](C)C[C@H]1c1cccc(F)c1 766904178 XTOUQWKHLJPAAY-CJNGLKHVSA-N 245.341 3.622 30 20 BHED C=CCN(C(=O)[C@H](C)CCCCCC)C1CC1 771819934 YLPWCIMRPYRRKK-CYBMUJFWSA-N 237.387 3.770 30 20 BHED C#C[C@H](C)NC(=O)[C@](C)(CC)CCCCCC 772985200 PMPJBYXEKWWUBF-DZGCQCFKSA-N 237.387 3.511 30 20 BHED N#CCCCNc1cc2ccccc2c(Cl)n1 784176303 NBDABLJMBJFQDI-UHFFFAOYSA-N 245.713 3.604 30 20 BHED C=CCCCCC[C@@H](C)NCC1CCOCC1 793528281 RBNDYSLWUQEUFA-CQSZACIVSA-N 239.403 3.528 30 20 BHED CSCCON=C1CC[C@H]2CCCC[C@H]2C1 794577228 PPVLHZCXTPNXSB-NEPJUHHUSA-N 241.400 3.712 30 20 BHED CCCC[C@H]1CCCC1=NNc1ncccc1F 794991235 XCWSSZWXNPSRRI-NSHDSACASA-N 249.333 3.979 30 20 BHED CSC1(C=NNc2ccc(Cl)cc2)CC1 800803481 HPBAVYSGSPLMJS-UHFFFAOYSA-N 240.759 3.633 30 20 BHED C#CCC(C)(C)c1nc([C@@H]2CCC[C@@H](C)C2)no1 809344608 UVMUVIQVKAJVHK-VXGBXAGGSA-N 246.354 3.664 30 20 BHED FC(F)(F)C1CCC(=NOC2CCC2)CC1 812237162 MUJDWLUXRXEXSQ-UHFFFAOYSA-N 235.249 3.664 30 20 BHED C=CCC1(NC[C@H]2CCC=CO2)CCCCC1 825024273 NEZCWGOOOUYQPL-CQSZACIVSA-N 235.371 3.548 30 20 BHED CCC1(C(=O)OCC2(C#N)CCC2)CCCCC1 837638144 KFQUZYGYIGIBGU-UHFFFAOYSA-N 249.354 3.584 30 20 BHED CC[C@@H](NCC1(C#N)CCC1)c1cccc(C)c1 903035195 KUASWYBMCQXZFD-OAHLLOKOSA-N 242.366 3.730 30 20 BHED C[C@H]1CC[C@H](NCC2(C#N)CC2)c2ccccc21 903102025 PUQBGAXMSSFQAL-WFASDCNBSA-N 240.350 3.518 30 20 BHED Cc1cc(C=NOC(C)(C)C)c(C)s1 1323133501 WDCDSCHRVCMMES-UHFFFAOYSA-N 211.330 3.514 30 20 BHED CO[C@H]1CCC[C@@H](Sc2cccc(C#N)c2)C1 1472997538 WOFIQBDYPRNSST-GXTWGEPZSA-N 247.363 3.608 30 20 BHED Cc1ccc(C(=O)/C=C/c2cc(F)ccc2F)o1 44026266 NRLSQPJMQMDEBZ-ZZXKWVIFSA-N 248.228 3.762 30 20 BHED CCCCCCCCNc1ccc(C(N)=O)cc1 59088840 VPFGLGIBIHIBIX-UHFFFAOYSA-N 248.370 3.558 30 20 BHED CC(C)Sc1ccc(C#N)cc1Cl 62794194 WTHJJMGQJHGJPW-UHFFFAOYSA-N 211.717 3.712 30 20 BHED C[C@@H](CC#N)N(C)Cc1csc2ccccc12 64932014 BTCJMOIHLJFSSU-NSHDSACASA-N 244.363 3.635 30 20 BHED C=CCSc1ncc(-c2ccc(F)cc2)o1 73314808 DOYBQNGMTZCJFU-UHFFFAOYSA-N 235.283 3.759 30 20 BHED Cc1ccc(/C=C\C(=O)c2ccncc2)cc1C 90624514 CHLWXZQEALNAFF-WAYWQWQTSA-N 237.302 3.595 30 20 BHED CCN(C/C(C)=C/c1ccccc1)C[C@@H](C)C#N 91983459 ABGMTNSYVHKKRV-IPJDOKCGSA-N 242.366 3.571 30 20 BHED C=CC[C@H](C)NCc1cc(Cl)ccc1F 119260179 PKCGHBCSRMGIEU-VIFPVBQESA-N 227.710 3.533 30 20 BHED Cc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1C 185723025 NWKBWUHUHZCPQJ-ZIAGYGMSSA-N 228.339 3.798 30 20 BHED CC(C)(C)CCCCNCc1ccc(C#N)cc1 236605464 ZFGYFVQZDXDHTB-UHFFFAOYSA-N 244.382 3.864 30 20 BHED Cc1cccc(/C=C\C(=O)c2ccco2)c1C 255720053 RTGWJIARXFYIMK-HJWRWDBZSA-N 226.275 3.793 30 20 BHED C=CC[C@H](C)N[C@H](C)C1CCC(F)(F)CC1 309413022 IVJZZNMKVMHLME-WDEREUQCSA-N 231.330 3.755 30 20 BHED C=CCCC1(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)CC1 361528355 VTKGTPDSRVIIHX-KGLIPLIRSA-N 249.398 3.770 30 20 BHED C=CCCCCCCCNCc1cscn1 381237272 MFAVEVJTQZNLCT-UHFFFAOYSA-N 238.400 3.759 30 20 BHED CC1(C)CC[C@H]1Nc1ccc(C#N)c(Cl)c1 390588819 RRQHKIFOPQPGDX-GFCCVEGCSA-N 234.730 3.812 30 20 BHED CCCCCCCN[C@@H](C)c1cc(C)on1 393770963 GBZZBOIKPSCPIV-LBPRGKRZSA-N 224.348 3.604 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@@H](C)CCC(C)(C)C 410128221 QWAZNQRYUSONHX-QWHCGFSZSA-N 239.403 3.920 30 20 BHED C=CCN(CCC#N)C[C@H]1CCC[C@H](CC)C1 430112046 VZKCHBLPWNQTRT-GJZGRUSLSA-N 234.387 3.604 30 20 BHED C=CCN(C)Cc1ccc(F)c(Cl)c1Cl 432923070 CZGDAFSBHODPOC-UHFFFAOYSA-N 248.128 3.750 30 20 BHED C=CCC[C@@H](NCCc1ccccc1F)C1CC1 439080733 YWIGVBRJVACLIZ-MRXNPFEDSA-N 247.357 3.703 30 20 BHED CC(C)N(CCCCC(C)(C)C#N)C(C)C 444677926 XDIROEFVQYCSBK-UHFFFAOYSA-N 224.392 3.825 30 20 BHED C=CCC1(C(=O)N2CCC[C@@H](C(C)C)C2)CCC1 480507237 WSPRZMYJUYTXIV-CQSZACIVSA-N 249.398 3.627 30 20 BHED CCC[C@H]1CCCN(Cc2cccc(C#N)c2)C1 531815961 XYKSCVIUYGCMJG-AWEZNQCLSA-N 242.366 3.570 30 20 BHED C=C(CC)CSc1nc2ccccc2[nH]1 536901563 WADWRNCLKCFNED-UHFFFAOYSA-N 218.325 3.621 30 20 BHED C=CCCCCCN(C)C(=O)C(C)(C)CC=C 559949240 HNMUGTSNTSKZEF-UHFFFAOYSA-N 237.387 3.794 30 20 BHED C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)CCCC 568811484 DJQMNTHPTMEPTD-OCCSQVGLSA-N 225.376 3.626 30 20 BHED CCCC[C@H]1CCC[C@@H]1Nc1cc(C#N)ccn1 583280141 IBESXVFRTSOBBS-KBPBESRZSA-N 243.354 3.724 30 20 BHED CCCC(C)(C)C(=O)Nc1cc(C#N)ccc1C 593041283 PIWLDJWBRWVCJD-UHFFFAOYSA-N 244.338 3.632 30 20 BHED CC(C)(C)[C@@H]1CCN([C@H](C#N)c2ccccc2)C1 595425121 JKWQHKZRQAFOOU-HUUCEWRRSA-N 242.366 3.619 30 20 BHED CC1(C)CC(SCC2(C#N)CCC2)C1 601056216 LSSXOLXEEIHLGI-UHFFFAOYSA-N 209.358 3.602 30 20 BHED CCCc1ccc(CN(CCC#N)C(C)C)cc1 610391564 OSYRNLBGDSVBEA-UHFFFAOYSA-N 244.382 3.763 30 20 BHED C=CCCCCOc1ccc(C(C)=O)cc1F 649474345 JFGRNELGPLLRSD-UHFFFAOYSA-N 236.286 3.763 30 20 BHED C=CCCCCNCc1nccc2ccccc12 681134103 AEPURULXURDSGM-UHFFFAOYSA-N 240.350 3.681 30 20 BHED C=C(Cl)CN1CCc2ccccc2[C@H]1CC 734058542 QMDOBPQNAFTMHK-CQSZACIVSA-N 235.758 3.748 30 20 BHED C=CCCCOC(=O)C[C@@H]1CCCC[C@H]1C 735533805 ZFXHOECTSIGYGP-OLZOCXBDSA-N 224.344 3.712 30 20 BHED CCCCCCCCC(=O)NCC1(C)CC1 752385581 IAKBDNQRMPVONF-UHFFFAOYSA-N 225.376 3.653 30 20 BHED Cc1cc(C=NNc2cccc(F)c2)c(C)s1 760253840 NIRXDALNWFWKIK-UHFFFAOYSA-N 248.326 3.950 30 20 BHED Cc1ccc(/C=C\C(=O)c2ccco2)cc1C 762304335 ILQCXBNJECWVAJ-FPLPWBNLSA-N 226.275 3.793 30 20 BHED Cc1cccc(NN=Cc2cc(F)ccc2C)c1 777879675 UNZHXZPEQKQKNR-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 779776246 NQLHABRLNZWDCU-QLFBSQMISA-N 249.398 3.511 30 20 BHED C=C[C@H]1CCCCN1Cc1cc(C)c(C)cc1O 787309130 HXNZQNPTOCYFJW-HNNXBMFYSA-N 245.366 3.550 30 20 BHED CC(=NOC1CCC1)c1ccc(F)cc1Cl 812235321 RYIYBQSZCXDSOZ-UHFFFAOYSA-N 241.693 3.772 30 20 BHED CSc1ccc(C(C)=NOC2CCC2)cc1 812236985 DHYYXGFIPJGMIH-UHFFFAOYSA-N 235.352 3.702 30 20 BHED CCCCCC(C)=NNc1cccc(C(=O)O)c1 818199265 KSWGDFSQYZHFOQ-UHFFFAOYSA-N 248.326 3.753 30 20 BHED C[C@H](C/N=C/c1cc(Cl)ccc1O)C1CC1 920177290 FOKSQXBJCKYWIA-KOLYXTFFSA-N 237.730 3.511 30 20 BHED C=C[C@H](CC)CC(=O)N1CCC2(CCCC2)CC1 933291049 XBQLKMNEUGDNKF-CQSZACIVSA-N 249.398 3.772 30 20 BHED C=CCCc1nnc([C@@H](CC)c2ccccc2)o1 1257969674 CKOUOBQFHLZRHH-ZDUSSCGKSA-N 242.322 3.730 30 20 BHED C/C(=C/Cl)CSc1c(C#N)cccc1C#N 1325075464 NTLPJKCMUGODML-UITAMQMPSA-N 248.738 3.665 30 20 BHED C=CCCOC(=O)[C@H](C)CC1CCCCC1 1329139534 DRJBEZAHLOAGTG-GFCCVEGCSA-N 224.344 3.712 30 20 BHED C=C(CC)C(=O)N(C)C/C(C)=C\c1ccccc1 1348496303 ZXBQQMUZNCAAHJ-QBFSEMIESA-N 243.350 3.515 30 20 BHED C=CCN[C@H](c1ccccc1)c1ccc(F)cc1 19875813 YZLVWLGPEVJJIF-MRXNPFEDSA-N 241.309 3.691 30 20 BHED C=CCN[C@@H](C)c1oc2ccccc2c1C 37184970 AGHDKTJISOXDFT-NSHDSACASA-N 215.296 3.578 30 20 BHED C=C(Br)CN[C@@H](C)CCCC(C)C 42589667 RJFVMJYHRHINFP-NSHDSACASA-N 248.208 3.699 30 20 BHED N#CC1(c2ccccc2)CC(Nc2ccccc2)C1 86035759 BKLDDDYJEXAUFD-UHFFFAOYSA-N 248.329 3.722 30 20 BHED CCc1ccc([C@H](C)NCC2(CC#N)CC2)cc1 88249672 ASZHBFDBPIOYSO-ZDUSSCGKSA-N 242.366 3.593 30 20 BHED CCC(C)(C)[C@H]1CCCN1Cc1ccc(C#N)o1 93809439 RLEMDDDCSHIKCC-CQSZACIVSA-N 246.354 3.552 30 20 BHED CCCCCCCCNC(=O)[C@@H]1CC=CCC1 118827536 FVDWBBOCRPMBME-CQSZACIVSA-N 237.387 3.819 30 20 BHED CCCCCCCCCSc1nncn1C 125243258 YLQRQUGXIAMOEN-UHFFFAOYSA-N 241.404 3.658 30 20 BHED C/C=C/CSCc1cc(F)ccc1C#N 125533824 GHDNMLCDZACLBC-NSCUHMNNSA-N 221.300 3.507 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cc(Cl)ccc1O 134931906 UNIPUWWTDQEGDK-UWVGGRQHSA-N 239.746 3.661 30 20 BHED Cc1ccnc(NCCC2CCCCC2)c1C#N 135064920 MYQYQDLICSYTBG-UHFFFAOYSA-N 243.354 3.644 30 20 BHED CC#CCCN[C@H](C)CC(C)(C)c1ccccc1 158298051 VYXFZMBCTJJODH-OAHLLOKOSA-N 243.394 3.746 30 20 BHED C[C@H](C#N)Oc1ccccc1N[C@H](C)C1CCC1 180206238 ZHAYVPJQTROLML-VXGBXAGGSA-N 244.338 3.578 30 20 BHED C=CC[C@H](C)[C@@H](C)NCCCCCSC 186776837 UFYKIZIJZMKLEQ-QWHCGFSZSA-N 229.433 3.710 30 20 BHED C[C@H]1CC[C@H](Nc2ccc(C#N)cc2F)CC1 252951862 FFVDWRNWTHHBJO-UMSPYCQHSA-N 232.302 3.688 30 20 BHED Cc1ccc(N=Cc2ccccc2O)c(C)c1 254296927 VFRXKYARSDMXBQ-UHFFFAOYSA-N 225.291 3.760 30 20 BHED N#CCCCCN1CCCC[C@H]1c1ccccc1 273829147 HGPYOVIZXSSIEF-INIZCTEOSA-N 242.366 3.907 30 20 BHED CCCCCCCc1nc(-c2ncoc2C)no1 278055574 MCZAVKXUZDVPMH-UHFFFAOYSA-N 249.314 3.546 30 20 BHED C#CCCCCNc1ccnc2c(F)cccc12 302690228 RMQOGYGVWJGLSP-UHFFFAOYSA-N 242.297 3.589 30 20 BHED C=CC[C@@H](CC)NCc1cc(F)ccc1C 309470256 QNJXGYWPEAOMPB-CQSZACIVSA-N 221.319 3.578 30 20 BHED C=CC(C)(C)C(=O)Nc1cc2[nH]ccc2cc1C 336263221 YBJSTUYIMPRPBR-UHFFFAOYSA-N 242.322 3.627 30 20 BHED Cc1nc(N[C@@H]2CCC[C@@H]2C)c(Cl)cc1C#N 336705876 LHAJHEBTXOYCKA-QPUJVOFHSA-N 249.745 3.516 30 20 BHED C=C(C)CCc1noc(/C=C\c2ccc(C)o2)n1 351622209 HYVSYTLBQMVBFG-CLFYSBASSA-N 244.294 3.650 30 20 BHED N#CCCCC(=O)Nc1cccc2ccsc12 360364467 MQYYBHXUNPFWGP-UHFFFAOYSA-N 244.319 3.534 30 20 BHED CC[C@H](C#N)SCCSC(C)(C)C 388664704 WFMHTRGNXQNIJB-SECBINFHSA-N 217.403 3.553 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccccc1OC 393753937 GOSDFSZEBIPTNN-STQMWFEESA-N 233.355 3.701 30 20 BHED CC1=CCN(CCC2(C#N)CCCCC2)CC1 411405982 IHMFGLXRIWOCDW-UHFFFAOYSA-N 232.371 3.503 30 20 BHED C=C[C@](C)(CC)C(=O)N1CC[C@H](C2CCCC2)C1 421644902 GBRCZYAGPJBSKL-GOEBONIOSA-N 249.398 3.627 30 20 BHED C=CCC[C@@H](NCc1cc(C)nc(C)c1)C1CC1 421877483 KSTXCLVQOFBATA-MRXNPFEDSA-N 244.382 3.533 30 20 BHED C=CCN(CCC#N)CC[C@@H]1CCC[C@H](C)C1 428864777 VAXQNYDZTLMKOH-GJZGRUSLSA-N 234.387 3.604 30 20 BHED C=C1CCN([C@H](C)c2cccc(C)c2)CC1 441314924 YUDCZEUGKBQCOE-CQSZACIVSA-N 215.340 3.708 30 20 BHED C=CCCCc1nc(-c2cscc2C)no1 445641074 SQBXPJJOERZLNO-UHFFFAOYSA-N 234.324 3.615 30 20 BHED C=CC(C)(C)CNC(=O)C1(CC(C)C)CCC1 456112745 DNJUHQVAYGIUCD-UHFFFAOYSA-N 237.387 3.531 30 20 BHED CC#CCCCC(=O)N[C@H](CCC)C1CCCC1 458335493 JPOSAKSMSBYOPV-OAHLLOKOSA-N 249.398 3.655 30 20 BHED C=CCC[C@H](CC)N[C@@H]1CCC[C@@H]2C[C@@H]21 459777466 VZQGFTCWDCFPNF-ZOBORPQBSA-N 207.361 3.509 30 20 BHED CCN(CC[C@@H]1CCC[C@H](C)C1)C[C@H](C)C#N 464866293 CLRVWHWJBROTKQ-ZNMIVQPWSA-N 236.403 3.684 30 20 BHED C=C(C)CSCCCOCc1ccccc1 479502917 MGBBLDVMEGTQNT-UHFFFAOYSA-N 236.380 3.903 30 20 BHED CCCc1cccc(CN(CC)C[C@H](C)C#N)c1 481893412 MBAWQDQNFOIBBY-CQSZACIVSA-N 244.382 3.621 30 20 BHED Cc1cc(CN2[C@H](C)CCC[C@H]2C)ccc1C#N 487869385 GXYWBYKHMSBUQG-ZIAGYGMSSA-N 242.366 3.630 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@H]1CC2CCC1CC2 489733596 LMFVCUQVCYVGOQ-JXQTWKCFSA-N 249.398 3.531 30 20 BHED C=CCN(C(=O)[C@@H](C)[C@@H](C)CC)c1ccccc1 502681702 SZGMIKMMRKOYHA-KBPBESRZSA-N 245.366 3.888 30 20 BHED C=C(C)CCN[C@@H](c1ncccc1C)C(C)C 509357452 KCRGNVJUMIGAKV-CQSZACIVSA-N 232.371 3.643 30 20 BHED Cc1cn(CCc2ccccc2Cl)cc1C#N 532766987 DSBVQVMGJQJZFB-UHFFFAOYSA-N 244.725 3.564 30 20 BHED C=CCCCN1CC=C(C(C)(C)C)CC1 534692094 OTOGBQKLNVFTTF-UHFFFAOYSA-N 207.361 3.631 30 20 BHED C=C(C)COc1cccc(OCC(F)(F)F)c1 537836215 DBGBKBDKVZOLAH-UHFFFAOYSA-N 246.228 3.583 30 20 BHED N#Cc1ccc(CSCCCCCF)cc1 556294205 BWIXIBGRWQBCFN-UHFFFAOYSA-N 237.343 3.931 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](CC)C1 563725421 VFPFNCLDZBBJTH-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=CCC1(C(=O)N(C)[C@@H](C)CCCC)CCC1 577343037 UPEVVIOXPCDONZ-ZDUSSCGKSA-N 237.387 3.770 30 20 BHED C=CCCC(C)(C)NCc1ccc(C)s1 657805118 KSWIOBTUFKOCFF-UHFFFAOYSA-N 223.385 3.891 30 20 BHED C=C(C)CN(C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21 671790758 BIBOUALRZVLCCV-RRFJBIMHSA-N 249.398 3.627 30 20 BHED C[C@@H](CCC#N)N1CCC(C2CCCCC2)CC1 708770105 JLAADGIBRXYIBA-AWEZNQCLSA-N 248.414 3.971 30 20 BHED C(=NOCc1cccnc1)C1CCCCCC1 746589012 XQASSCPDTZUMOA-UHFFFAOYSA-N 232.327 3.554 30 20 BHED C#CCN(C(=O)C[C@@H](C)CCC)C1CCCCC1 748638814 QYSQOVSDTBGIGQ-AWEZNQCLSA-N 249.398 3.607 30 20 BHED COc1ccc(NN=C2CCCC2(C)C)cc1 750944829 AXQLIRIKAXQWMQ-UHFFFAOYSA-N 232.327 3.673 30 20 BHED CCCCCCCCC(=O)N(CC)CC(F)F 754486851 YRMPIEMCNGXDNX-UHFFFAOYSA-N 249.345 3.851 30 20 BHED CC(C)(C)C=NNc1cccc(C(F)(F)F)n1 755739279 KLJUXIXCSAVKSV-UHFFFAOYSA-N 245.248 3.544 30 20 BHED C[C@@H]1CC(=NNC2CC2)C[C@@H](c2ccccc2)C1 758126748 HWIQEEWLWAWKPP-JSGCOSHPSA-N 242.366 3.698 30 20 BHED C#CCCCNc1ccccc1OCC(C)C 766724643 IJFWERRLLUYUJK-UHFFFAOYSA-N 231.339 3.547 30 20 BHED C=CCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C(C)C 768547915 TVEGSWQVMOOHFZ-TZMCWYRMSA-N 233.355 3.799 30 20 BHED CC(C)[C@H](C=NNC1CCCC1)c1ccccc1 794505743 FXNOCRAXXNXDFG-INIZCTEOSA-N 244.382 3.944 30 20 BHED CCc1cccc(C)c1NN=C1CSC[C@@H]1C 794938615 RXPWYZPNLVDOTN-NSHDSACASA-N 248.395 3.708 30 20 BHED CCC[C@](C)(CC)C(=O)OCCC(C)(C)C#N 796337226 ZKZLUTLAYLGKCA-AWEZNQCLSA-N 239.359 3.686 30 20 BHED CCc1ccccc1NN=C1CCC12CCC2 799875007 ITQHGFYANUCKMN-UHFFFAOYSA-N 228.339 3.981 30 20 BHED Clc1cscc1C=NOCCC1CC1 814247085 PULPIIGFYFCAQP-UHFFFAOYSA-N 229.732 3.552 30 20 BHED Fc1cccc(NN=C2CC[C@H]2C2CCC2)c1 814814816 AYVCEUKJMMUSAB-ZDUSSCGKSA-N 232.302 3.804 30 20 BHED CCOc1ccc(NN=C2CCC[C@H]2C)cc1 814985228 XVJZZIGTRMXBIC-LLVKDONJSA-N 232.327 3.673 30 20 BHED C#CCCc1noc([C@@H](CCC)CC(C)C)n1 834585290 LTVIGWMDQAQFCF-LBPRGKRZSA-N 234.343 3.565 30 20 BHED C[C@H]1CCCCN1N=C[C@H](C)C(C)(C)C 853382056 RMNPBPSDXZHUSL-RYUDHWBXSA-N 210.365 3.529 30 20 BHED C=C(Cl)CSCCCC(C)(C)C#N 853783742 QJCYTGJUIGGEBL-UHFFFAOYSA-N 217.765 3.802 30 20 BHED CCC(C)=NNc1ncnc2sc(C)c(C)c12 916310524 YVMVWKVMOGVTJS-UHFFFAOYSA-N 248.355 3.506 30 20 BHED C[C@@H]1CCCC[C@@H]1CN1CCCC(C)(C)[C@H]1C#N 1617735183 KWJKMAVKTAVNET-RBSFLKMASA-N 248.414 3.827 30 20 BHED CCCCCCCCCNCc1cccnc1 59055611 OSSWSFBVBCLNPD-UHFFFAOYSA-N 234.387 3.922 30 20 BHED C#CCNc1ccc2oc3ccccc3c2c1 70185971 ORXUYFYPLMYUCS-UHFFFAOYSA-N 221.259 3.631 30 20 BHED CCCCCCCCC(=O)N[C@@H](C)CC 106167021 FLQUXICPKRDSNW-LBPRGKRZSA-N 213.365 3.652 30 20 BHED C=C(C)CSCc1csc(C2CC2)n1 135262252 GMSFFJWTHCRJNF-UHFFFAOYSA-N 225.382 3.830 30 20 BHED C=CCN(CC=C)C(=O)C[C@@H](C)CC(C)(C)C 143481021 WZUGQRFRUXUEKH-CYBMUJFWSA-N 237.387 3.649 30 20 BHED CCCCCCCC(=O)Nc1ccc(O)c(C)c1 148559528 YSIMDBPOLFXPAX-UHFFFAOYSA-N 249.354 4.000 30 20 BHED C=C(C)CSCc1csc([C@@H](C)OC)n1 177870443 HUPASGVYKUEQOG-SECBINFHSA-N 243.397 3.660 30 20 BHED C=CCCCC(=O)NCC(C)(C)C1CCCC1 178889489 NKCDBWYERAXRGK-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCN[C@@H](Cc1ccccc1)c1cccs1 184985325 LMINWTSNSORFKA-AWEZNQCLSA-N 243.375 3.808 30 20 BHED CCCC[C@@H](CCC)Nc1ccc(C#N)cn1 226262475 XPSJBOLADLKECU-CYBMUJFWSA-N 231.343 3.724 30 20 BHED CC[C@H](CC#N)NC[C@@H](c1ccccc1)C(C)C 234039697 ODAZOWUWPZMMCQ-HZPDHXFCSA-N 244.382 3.708 30 20 BHED C[C@H](NCCC(C)(C)C#N)[C@H](C)c1ccccc1 273455275 YSLVOSGPJYMKKL-KBPBESRZSA-N 244.382 3.708 30 20 BHED Cc1ccccc1Oc1ccc(Cl)c(C#N)n1 301562470 UTOVIVSIQBZIQX-UHFFFAOYSA-N 244.681 3.707 30 20 BHED Cc1cc(C#N)cc(N[C@H]2CCCC[C@H]2C)c1 308107205 POCWONJINJALSI-DOMZBBRYSA-N 228.339 3.857 30 20 BHED C=C(CC)CN1CCC[C@@H]1c1ccsc1 358622011 AHHSEEZNSWLXAZ-CYBMUJFWSA-N 221.369 3.851 30 20 BHED C=CC(C)(C)CN[C@@H]1CCC[C@@H](C(F)(F)F)C1 384930470 HIQYHOKMDPXOBZ-GHMZBOCLSA-N 249.320 3.909 30 20 BHED C=C(C)CCN[C@H](CCCC)C1CCC1 389929235 YTYCKJPDGHRUFX-CQSZACIVSA-N 209.377 3.901 30 20 BHED C=C(C)CN(CC)C(=O)C1C[C@H]2CCC[C@H](C1)C2 435656742 UEAUDDVBSRRGMV-KBPBESRZSA-N 249.398 3.627 30 20 BHED CCC(CC)CC(=O)Nc1cccc(CC#N)c1 456754103 QLWMOYKLSUNPLB-UHFFFAOYSA-N 244.338 3.517 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@H]1CCCC(C)(C)C1 488817515 OQWNOXCKIOPTOQ-KBPBESRZSA-N 249.398 3.770 30 20 BHED N#C[C@H]1CC[C@@H](NCCCC2CCCCC2)C1 516348006 NETMKJAKZPZYLL-LSDHHAIUSA-N 234.387 3.629 30 20 BHED C=CCCc1csc(Cc2ccccc2F)n1 534214263 IJZCNYDBFVLLJN-UHFFFAOYSA-N 247.338 3.992 30 20 BHED C=CCCN[C@@H](c1cccc(C)c1)C(F)(F)F 543754004 RTUIBRSODOJMTC-LBPRGKRZSA-N 243.272 3.764 30 20 BHED C=CCC[C@@H](C)NC1(c2ccc(OC)cc2)CC1 544616002 UGOQGKMUESZLGN-CYBMUJFWSA-N 245.366 3.629 30 20 BHED C=CCCN(C)[C@@H](c1ccccc1)C(C)C 571770674 PYQGQKDSQSDZFX-OAHLLOKOSA-N 217.356 3.892 30 20 BHED C[C@@H]1CCC[C@H](CCN2CCC[C@H](CC#N)C2)C1 595615087 OWZBQJHDNVIEPB-BZUAXINKSA-N 248.414 3.828 30 20 BHED C#CCCc1noc([C@@H](C)CCC(C)(C)C)n1 761999178 MBEYNKQPOJWHIO-NSHDSACASA-N 234.343 3.565 30 20 BHED CCCCCCCCOC(=O)[C@@H]1CCC=CO1 787034485 YYBQDUYGWRQGDY-ZDUSSCGKSA-N 240.343 3.583 30 20 BHED C=CCCCCCCNC(=O)/C(=C\C)CC 805217595 FKZJVFGPVSJDEB-ACAGNQJTSA-N 223.360 3.595 30 20 BHED CC(C)[C@@H]1CCCC(=NOC/C=C/Cl)C1 811670531 UVROHXYRCLLRAC-XQQOOSOQSA-N 229.751 3.958 30 20 BHED C=CCCCCCCCN[C@H]1CCOC1(C)C 815628163 SIUYURZMCNLVEE-AWEZNQCLSA-N 239.403 3.670 30 20 BHED C#CCCCSCC[C@H]1CC1(Cl)Cl 818154599 MOPSBTDIQOXMCZ-VIFPVBQESA-N 237.195 3.717 30 20 BHED C=C[C@@H](C)ON=C(C)CCc1ccc(F)cc1 844625767 UKSGLWZKWAMDQR-GFCCVEGCSA-N 235.302 3.725 30 20 BHED C#CCCCCCC(=O)Nc1ccsc1C 870688685 SDBAHWZBNDGOIE-UHFFFAOYSA-N 235.352 3.579 30 20 BHED CCCNN=C(C)c1ccc(Cl)c(Cl)c1 915965097 DZMOUHFQROFRHU-UHFFFAOYSA-N 245.153 3.717 30 20 BHED CCCCCCC[C@H](C)CNC(=O)CC1CC1 917871155 LLGUPRCDWQEYML-ZDUSSCGKSA-N 239.403 3.899 30 20 BHED C=CCC(C)(C)c1nnc(-c2ccccc2F)o1 1326944023 PLTAZCKSZPDODG-UHFFFAOYSA-N 246.285 3.729 30 20 BHED CCC1(CNc2cccc(C#N)n2)CCCCC1 1559160595 WQKLBOSKPSYGSO-UHFFFAOYSA-N 243.354 3.726 30 20 BHED CCN(CCC#N)c1cccc2ccccc12 19808984 NUTDGPXDZPXBBF-UHFFFAOYSA-N 224.307 3.580 30 20 BHED C[C@H](NC1CCCCCC1)c1ccc(C#N)cc1 20122610 RBPNXYKENDDAOV-ZDUSSCGKSA-N 242.366 3.932 30 20 BHED CCC[C@@H](C)Nc1cccc(OCCCC#N)c1 37777425 OUHIWCLELZRTAK-CYBMUJFWSA-N 246.354 3.970 30 20 BHED Cc1ccc(CNc2cc(C#N)ccc2C)cc1 50429025 YATTWBNBNSIDIB-UHFFFAOYSA-N 236.318 3.787 30 20 BHED C=C(C)CN(CC)CCCOc1ccccc1C 65222925 HKMIRTSJZFHDTA-UHFFFAOYSA-N 247.382 3.662 30 20 BHED C#CCCN[C@H](C)c1cccc2ccccc12 70197440 LXFXJOOAJXBUFY-CYBMUJFWSA-N 223.319 3.514 30 20 BHED C=CCCCNc1cc(NC(=O)CC)ccc1C 77245133 YUAODXMAKHFHIA-UHFFFAOYSA-N 246.354 3.722 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccccc1OC(F)F 119332636 GEYRGLIKNKGGEB-NXEZZACHSA-N 241.281 3.513 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1sc(CC)nc1C 129609385 PJXIHXZPRGYZTI-UWVGGRQHSA-N 238.400 3.629 30 20 BHED Cc1occc1SCc1cc(F)ccc1C#N 131398106 PVSURSUNTPOCMS-UHFFFAOYSA-N 247.294 3.891 30 20 BHED Cc1cc(F)ccc1COc1ccccc1C#N 167978157 VUBHISCCXQXYQK-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=CCNc1cccc(OC2CCCC2)c1 174940737 HUSFBJJFZZUMJN-UHFFFAOYSA-N 217.312 3.606 30 20 BHED C=CCN(Cc1csc(C)n1)c1ccccc1 176284203 WCUBDAXIRDQOJM-UHFFFAOYSA-N 244.363 3.644 30 20 BHED CC(C)[C@H]1CCCN1CCCCC(C)(C)C#N 232749490 LOPOCWAYCXZFKF-CQSZACIVSA-N 236.403 3.827 30 20 BHED Cc1ccc2c(c1)C(=O)/C(=C/c1ccsc1)C2 255846242 KNMWGIYNIRQXHV-NTUHNPAUSA-N 240.327 3.879 30 20 BHED C=CCCC(=O)Nc1cc(SC)ccc1C 271889537 OHJGZQNDRZPQCZ-UHFFFAOYSA-N 235.352 3.622 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1c(C)cc(C)cc1O 294642488 GIZFYOCDYCWAAE-CHWSQXEVSA-N 233.355 3.624 30 20 BHED C=CCCOc1cc(Cl)cc(Cl)c1 303799031 LHVOBOCSODVMAP-UHFFFAOYSA-N 217.095 3.948 30 20 BHED CN(CCC1CCCC1)Cc1ccc(C#N)cc1 303922159 OVUVQJWVCPXLCJ-UHFFFAOYSA-N 242.366 3.570 30 20 BHED C=C(CC)CNc1ccc(F)cc1OCC 309947026 DSBOSAXBWLHFCR-UHFFFAOYSA-N 223.291 3.603 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1cccc(F)c1 310042714 ZPRQTBCPFAMIPA-RISCZKNCSA-N 221.319 3.831 30 20 BHED C[C@H]1CCC[C@@H](CCn2ccc(C#N)c2)C1 339204616 IKXSWQIDKNWDKX-STQMWFEESA-N 216.328 3.576 30 20 BHED Cc1ccccc1CN(CCC#N)CC(C)(C)C 353419578 NBICBQCEAWTVHD-UHFFFAOYSA-N 244.382 3.757 30 20 BHED C=C(CC)CN1C[C@H]2CCC(=O)c3cccc1c32 362274477 BTINXQUVVRHMIL-GFCCVEGCSA-N 241.334 3.533 30 20 BHED C=CC[C@@H](CC)NC(=O)C[C@H](C)CC(C)C 410118725 BSQIFDPXWKJBHY-CHWSQXEVSA-N 225.376 3.530 30 20 BHED C=CCCCC[C@H](C)NC[C@H]1CCCS1 449189649 MKARXHOXUSILFE-QWHCGFSZSA-N 227.417 3.607 30 20 BHED N#CCCN(CCC1=CCCCC1)CC1CC1 450463284 NQECFWNCEHSQOG-UHFFFAOYSA-N 232.371 3.503 30 20 BHED CC(C)[C@H]1CCC[C@H]1Nc1ccc(CC#N)cc1 468476531 SZDCJBALRXEMNE-HZPDHXFCSA-N 242.366 3.989 30 20 BHED CCC(C)(C)N(C)CC#Cc1ccc(Cl)cc1 471079774 DIUYQNSZZLSSDO-UHFFFAOYSA-N 249.785 3.812 30 20 BHED C=CCCCCN[C@@H](C)c1ccccc1N(C)C 471593150 JAKPQCBHZRIUOO-AWEZNQCLSA-N 246.398 3.760 30 20 BHED C=C(CC)CNc1cccc(NC(=O)OC)c1C 497074720 VDNRTPUFTKEDGU-UHFFFAOYSA-N 248.326 3.551 30 20 BHED C=CC[C@@H](C)[C@H](C)NCCc1ccc(F)cc1C 539602346 GBIAWAZKKOTOTD-OCCSQVGLSA-N 249.373 3.867 30 20 BHED Cc1ccc2c(c1)N(CCC(C)(C)C#N)CCC2 540669268 YTRRVPRXBHCPPT-UHFFFAOYSA-N 242.366 3.688 30 20 BHED C=CCOCCN(C)[C@H](c1ccccc1)C(C)C 549844364 PTVMOWRWNNKXTD-INIZCTEOSA-N 247.382 3.518 30 20 BHED CSCc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 564523341 XZNXHYZNKRGKHZ-SMDDNHRTSA-N 246.379 3.654 30 20 BHED CC#CCCSCCc1noc2ccccc12 594561900 KJFCFPIQPMXVDK-UHFFFAOYSA-N 245.347 3.517 30 20 BHED C[C@H]1CC(C)(C)CC[C@@H]1NC[C@H](C)CCC#N 602572233 ZUBRHWLLAIZNMB-RDBSUJKOSA-N 236.403 3.731 30 20 BHED C=CCC1(NC(=O)CC(C)(C)C2CC2)CCCC1 619111244 YRMPALGNPYSKNQ-UHFFFAOYSA-N 249.398 3.818 30 20 BHED C=CCC[C@H](CCC)N[C@@H](C)Cc1ccccn1 655837284 RVLPNECLKFHECJ-GJZGRUSLSA-N 246.398 3.737 30 20 BHED CCCCCCCC(=O)N1C[C@H](C)C[C@H]1CC 744765609 JJQXONXVDNDPGL-ZIAGYGMSSA-N 239.403 3.994 30 20 BHED CCCCCC(C)=NN=c1cc[nH]cc1Cl 756839930 UOBLFAYYGZWZJE-UHFFFAOYSA-N 239.750 3.525 30 20 BHED C#CCOc1ccc([C@H](C)N[C@@H](C)CCC)cc1 764435433 NDYMATOMAGXMRM-KBPBESRZSA-N 245.366 3.538 30 20 BHED CON=C1CCC(C)(c2ccccc2)CC1 766692419 UZYDGWHEISYKBF-UHFFFAOYSA-N 217.312 3.521 30 20 BHED CCc1c(C(C)=NOC)oc2ccc(C)cc12 767489044 FFXWFXDYFLCLPW-UHFFFAOYSA-N 231.295 3.674 30 20 BHED CCCCCCCC(=O)N1CCCC[C@H](C)C1 772636094 QQGXZUIEDHPSOB-AWEZNQCLSA-N 239.403 3.996 30 20 BHED C#CCCCCN[C@H](C)c1cccc(C)c1C 773036716 MLOCRLAGVTXGLV-OAHLLOKOSA-N 229.367 3.758 30 20 BHED CC1(C)CCCC[C@@H]1NN=Cc1ccsc1 773125477 PAQAFMFBHGASJT-LBPRGKRZSA-N 236.384 3.640 30 20 BHED CCCCC(CC)=NN[C@@H]1C[C@H]2CC[C@H]1C2 774596694 KREUCDMGXXOLRK-SGMGOOAPSA-N 222.376 3.721 30 20 BHED CC(Cc1ccccc1F)=NOC1CCCC1 780237552 SMBFWLKVJZSOHO-UHFFFAOYSA-N 235.302 3.703 30 20 BHED CCCC(CCC)=NNc1ccnc(F)c1 781131585 ADRAOCVVKHBTRN-UHFFFAOYSA-N 223.295 3.589 30 20 BHED CC[C@H](C)NN=C[C@H]1CCC[C@@H](CC)C1 790190056 MXXIPDGMZAEXMQ-XQQFMLRXSA-N 210.365 3.577 30 20 BHED CSCCON=C[C@H]1CCCC(C)(C)C1 794577208 OKPIGJGINKDILW-NSHDSACASA-N 229.389 3.568 30 20 BHED C[C@@H](C=NNc1ccc(C#N)cc1)C(C)(C)C 800810068 FLIKVCHOTUPYKF-NSHDSACASA-N 229.327 3.638 30 20 BHED C=C(CC)COC(=O)c1sccc1Cl 803771861 RIFFGTIYJWZZHR-UHFFFAOYSA-N 230.716 3.525 30 20 BHED C=CCCCCCCCN[C@@H](C)c1ccnn1C 810243256 NFCZEHNFFLEXMU-AWEZNQCLSA-N 249.402 3.597 30 20 BHED c1cncc([C@H]2CCCC(=NOCC3CC3)C2)c1 814244967 OTPXZLZZYIZTKJ-ZDUSSCGKSA-N 244.338 3.522 30 20 BHED CC[C@H]1C[C@H](C)CCC1=NOCC1CC1 814245016 PUBNKVRSTJDMAX-PWSUYJOCSA-N 209.333 3.615 30 20 BHED C[C@H]1CCC(=NOCCC2CC2)C[C@@H]1C 814246021 RWOUHPJZJSTWHR-QWRGUYRKSA-N 209.333 3.615 30 20 BHED Cc1cc(C)c(NN=C2CCOC2(C)C)c(C)c1 814861076 YVOVVNRRBUIZAA-UHFFFAOYSA-N 246.354 3.579 30 20 BHED C=C[C@@H](OC(=O)CC1CC(F)(F)C1)C(C)(C)C 835391613 PGHOPSWAASPIAM-SNVBAGLBSA-N 246.297 3.566 30 20 BHED C#CC[C@H](NCCC=C(C)C)c1ccccc1 851902413 QNKZFGSTPUGSOT-INIZCTEOSA-N 227.351 3.697 30 20 BHED C=CCON=C[C@H]1CCC[C@@H](C(F)(F)F)C1 853354916 BLZVMIIVKAWJGW-VHSXEESVSA-N 235.249 3.544 30 20 BHED C=CCCC(C)(C)NC(=O)/C=C(\C)c1ccco1 856375373 VYGQKZXPQURLFJ-VAWYXSNFSA-N 247.338 3.544 30 20 BHED CCCC[C@@H](C(=O)OCCCCC#N)C(C)C 856977973 YEGQFBIIWZOOFO-CYBMUJFWSA-N 239.359 3.686 30 20 BHED C=CCC[C@@H](C)OC(=O)C[C@@H](C)c1ccco1 859813408 JVDICGIWEJZDHS-VXGBXAGGSA-N 236.311 3.671 30 20 BHED C=C(C)C(C)(C)C(=O)NCCCCCCC 862354622 BZYLKYJMBHBTMF-UHFFFAOYSA-N 225.376 3.675 30 20 BHED CCCCNN=C(C)C12CC3CC(CC(C3)C1)C2 915966334 QPHLFWIJOJTDRT-UHFFFAOYSA-N 248.414 3.968 30 20 BHED CC(=NOC(C)(C)C)c1cc(C)ccc1C 1319685066 KEKNEWALRZJQPW-UHFFFAOYSA-N 219.328 3.843 30 20 BHED C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H](C)CC 1337140945 DTDXKOWSVKWNLB-ZIAGYGMSSA-N 237.387 3.770 30 20 BHED C#CCCCCCC(=O)NC[C@H]1CCC[C@H]1CC 1344379377 TWFOFQIJGCICJU-HUUCEWRRSA-N 249.398 3.513 30 20 BHED Cc1ccc(C#N)c(NCCC2=CCCCC2)n1 43395617 LUTYTHNWMQWYKJ-UHFFFAOYSA-N 241.338 3.564 30 20 BHED CC[C@H](Nc1ccc(C#N)cn1)C1CCCCC1 52341268 VEPOQXUQMGQZGZ-AWEZNQCLSA-N 243.354 3.724 30 20 BHED C#Cc1cccc(N[C@H](C)C2CCCC2)c1 54077236 WZIALDKWNBQANH-GFCCVEGCSA-N 213.324 3.659 30 20 BHED CC(C)(C)c1nc(-c2cccc(C#N)c2)cs1 62938293 CHCOLZXRIGBUFC-UHFFFAOYSA-N 242.347 3.979 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@H]1C1CCC1 130446129 KXMUMWWFXLYDKO-HNNXBMFYSA-N 247.382 3.546 30 20 BHED CC1(C)CCC/C(=C/c2ccsc2)C1=O 158968726 VTTORGMZIMFQSQ-FLIBITNWSA-N 220.337 3.911 30 20 BHED C#CCCCN(C)[C@H](C)c1cccc(Cl)c1 161101000 KUIXPYQDVTXEGD-GFCCVEGCSA-N 235.758 3.746 30 20 BHED C=C(CC)CNc1ccc(C)cc1OCC 309933696 YZVUPNOBUZQEKM-UHFFFAOYSA-N 219.328 3.772 30 20 BHED Cc1cscc1CNC1CCC(C)(C#N)CC1 336215821 MZOCLKQHNSPEFV-UHFFFAOYSA-N 248.395 3.619 30 20 BHED C=CC[C@H](C)NC(=O)c1cccc(C2CCC2)c1 337009235 DPDZUZHJIGIDRE-LBPRGKRZSA-N 243.350 3.649 30 20 BHED C=CCCN(CC)Cc1c[nH]c2ccccc12 338561929 CVEHGURFPBEIAO-UHFFFAOYSA-N 228.339 3.566 30 20 BHED CC(C)CC[C@H]1CC[C@H](N[C@@H]2CC[C@H](C#N)C2)C1 424195105 CJUHRRCVDXGTPP-YHUYYLMFSA-N 248.414 3.873 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCC(C)(C)C1 424812290 NKIBTEMFPDSZQA-GFCCVEGCSA-N 237.387 3.626 30 20 BHED N#Cc1ccccc1S[C@@H]1C=CCCC1 439716896 JBSAWGLHNMUGJC-GFCCVEGCSA-N 215.321 3.759 30 20 BHED C=CCC1(NCc2cccc(O)c2)CCCCC1 449576584 UGMMMFWQFFGOEK-UHFFFAOYSA-N 245.366 3.761 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@]1(C)CCC[C@@H]1C 450641739 HZQWOESSVOIZCQ-KCQAQPDRSA-N 237.387 3.674 30 20 BHED C=C(C)CCNC(=O)C[C@@H](CC)c1ccccc1 452724332 QSQXJTHTCFMGGH-CQSZACIVSA-N 245.366 3.653 30 20 BHED CC[C@]1(C)CCCN(c2cccc(F)c2C#N)C1 462934974 FQXLMHBNRYTDOH-OAHLLOKOSA-N 246.329 3.714 30 20 BHED C=CC[C@H](CC)NC/C=C\c1ccc(F)cc1 466384634 UYFWLYFRAQFPIV-PKYBCLHXSA-N 233.330 3.783 30 20 BHED CC(C)(C)CN(CC1(C#N)CC1)c1ccccc1 485806859 QIQHLBSZWJRGAL-UHFFFAOYSA-N 242.366 3.843 30 20 BHED C=C(CC)CSCc1cc(F)ccc1C#N 537993192 JWUQEHLQTMIBGH-UHFFFAOYSA-N 235.327 3.897 30 20 BHED C/C=C/c1ccc(NC[C@H](C#N)CCC#N)cc1 562289824 IQVVAVITWSCPMJ-PMUGQKEBSA-N 239.322 3.575 30 20 BHED C=CCOCCSCc1cccc(Cl)c1 576124883 OEENFSUQAPZBIQ-UHFFFAOYSA-N 242.771 3.776 30 20 BHED C=CCC(C)(C)c1noc(-c2ccc(C)s2)n1 582172056 JTRMQVAMXIPKPR-UHFFFAOYSA-N 248.351 3.960 30 20 BHED C=CC[C@H]1CCCN(CCCC(C)(C)C#N)C1 595657768 BYQMQEDQOUDCBD-AWEZNQCLSA-N 234.387 3.604 30 20 BHED CCN(Cc1cccc2ccccc12)[C@H](C)C#N 595815697 QTTOYWWDVLZXIQ-CYBMUJFWSA-N 238.334 3.574 30 20 BHED CC#CCNC(C)(C)c1ccc(C(C)C)cc1 607731400 WXZIBGDKRXOFSS-UHFFFAOYSA-N 229.367 3.658 30 20 BHED C=CCCC(=O)N(C)c1ccc(C(C)(C)C)cc1 726504380 VTYYDSCRDIKYJS-UHFFFAOYSA-N 245.366 3.913 30 20 BHED C=C(C)CCOC(=O)c1c(C)[nH]c2ccccc12 744303977 IMJGKCZATFXMGH-UHFFFAOYSA-N 243.306 3.599 30 20 BHED CC(=NO[C@@H]1CCCCO1)[C@H](C)c1ccccc1 755820959 HBKMMGSPRQKJQL-SWLSCSKDSA-N 247.338 3.709 30 20 BHED CCc1ccccc1NN=Cc1cc(C)oc1C 767899484 KDYBVBMZOJDVNO-UHFFFAOYSA-N 242.322 3.905 30 20 BHED CCCCCCCOC(=O)c1cnccc1C 768768810 FXUNHYJIDJERFX-UHFFFAOYSA-N 235.327 3.517 30 20 BHED C[C@H]1C[C@@H]1c1ccc(C=NOC2CCCC2)o1 774596379 DOXKGOANJVSGIE-GWCFXTLKSA-N 233.311 3.696 30 20 BHED C#CCCCN[C@H](CC)c1ccccc1OCC 775084380 DTLCHHUQGLBQTF-OAHLLOKOSA-N 245.366 3.539 30 20 BHED CC(=NNCCC(C)(C)C)C1CCSCC1 777446813 UIAUFEDXWIOZMY-UHFFFAOYSA-N 242.432 3.531 30 20 BHED CC(=NOC1CCCCC1)c1cnc(C)s1 777458936 LPGKNZSAFNKIQL-UHFFFAOYSA-N 238.356 3.525 30 20 BHED C=CCN(C)C(=O)NCCCCCCCCC 779519553 NGZJLLHQCBMVFI-UHFFFAOYSA-N 240.391 3.564 30 20 BHED C#CCCCCCC(=O)N[C@H](C)C[C@@H](C)CC 779921899 DUGIFFFXRRWXHQ-UONOGXRCSA-N 237.387 3.511 30 20 BHED CCCCCCCN1CCC[C@H]1[C@H]1CCCO1 792929295 ZEODKFKZNVLLKC-LSDHHAIUSA-N 239.403 3.600 30 20 BHED CC[C@@H]1CCC[C@H](C=NOCCSC)C1 794574121 WJJUKBJROZRPCY-NEPJUHHUSA-N 229.389 3.568 30 20 BHED CCCCCCCC(=O)Nc1cncc(F)c1 798533342 PKCYVSIBJDRCAN-UHFFFAOYSA-N 238.306 3.520 30 20 BHED C#C[C@H](N[C@H]1CCC[C@@H]1c1ccccc1)C(C)C 809685238 HYPIZDNNNMRARW-IKGGRYGDSA-N 241.378 3.570 30 20 BHED CC(=NOC1CCC1)c1cccc(C)c1C 812237670 BFYBWBDUVMTAIG-UHFFFAOYSA-N 217.312 3.597 30 20 BHED C/C(=C\C(=O)O[C@@H]1CCC[C@H](C#N)C1)C(C)(C)C 839057426 XPDSLLXJGHTFND-UAIPSJAGSA-N 249.354 3.604 30 20 BHED C=C(C)CON=C[C@@]1(C)C[C@@H]1c1ccccc1 844619932 NLQVNJXVBWBGFY-HUUCEWRRSA-N 229.323 3.759 30 20 BHED C=CCCCSCCC1SCCS1 853767354 NPLUPXQSHXCZFO-UHFFFAOYSA-N 234.455 3.882 30 20 BHED CC(=O)[C@H](C)SCCCCC1(C#N)CCC1 901508213 YARSXVCKHSOVJB-LBPRGKRZSA-N 239.384 3.561 30 20 BHED C=C(C)CCC(=O)Nc1sc(C)c(C)c1C#N 1120805063 CLOPYLBBHPSESU-UHFFFAOYSA-N 248.351 3.531 30 20 BHED CC(=NOC(C)(C)C)c1ccc2c(c1)CCC2 1323131845 LXRZYBDBFNJSCO-UHFFFAOYSA-N 231.339 3.714 30 20 BHED C[C@H]1CC[C@@H](Sc2cccc(F)c2C#N)C1 1656593101 QZQCHBLZKBAGPL-VHSXEESVSA-N 235.327 3.978 30 20 BHED CC[C@H](CC#N)NCc1ccc(C(C)C)cc1 45044723 YVXWBOPAMXISBB-OAHLLOKOSA-N 230.355 3.592 30 20 BHED C=C(CNCc1ccc(C)cc1)c1ccccc1 110057701 OJGOCLYNYSOXOY-UHFFFAOYSA-N 237.346 3.798 30 20 BHED C[C@H]1CN(CCC(C)(C)C#N)[C@@H]1c1ccccc1 119696334 KVXNZQQVPAQLLY-ZFWWWQNUSA-N 242.366 3.619 30 20 BHED Cc1ccc(NCc2ccc(C#N)o2)cc1Cl 155591110 AXMAMQSDTVXIIY-UHFFFAOYSA-N 246.697 3.725 30 20 BHED C=C(C)[C@@H](NC(C)C)c1ccc(F)c(F)c1 186446905 OAOANKSRNVASTQ-CYBMUJFWSA-N 225.282 3.580 30 20 BHED C=C(C)CSc1cccc2cccnc12 194107402 LUNLTOFPYRRILQ-UHFFFAOYSA-N 215.321 3.903 30 20 BHED CCC(CC)(CNc1ccc(C#N)cc1)SC 230920570 KDDJEDHLQJBFHN-UHFFFAOYSA-N 248.395 3.892 30 20 BHED Cc1cc(/C=C\c2ccc(C#N)cn2)ccc1F 255106057 SOTZAXDNZSWTSV-DJWKRKHSSA-N 238.265 3.571 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1cncc(C)c1 293834890 XHIATZKPPUEEOC-ZDUSSCGKSA-N 232.371 3.643 30 20 BHED C=CC[C@@H](CC)NC/C=C\c1ccccc1 309501377 ZUAOURSWIMWIOM-LDCOFTPGSA-N 215.340 3.644 30 20 BHED C=CCCCCC[C@H](C)NC[C@@H]1CCSC1 309575008 OQGQQNLWOAQLQZ-KBPBESRZSA-N 241.444 3.854 30 20 BHED C=C(C)CCN[C@H](C)c1cnc2ccsc2c1 386776169 LIUYEHIQKXCSCT-LLVKDONJSA-N 246.379 3.913 30 20 BHED C=CCCCCN[C@@H](C)c1cccc(F)c1 390565221 LLHCSBHCMASUSC-LBPRGKRZSA-N 221.319 3.833 30 20 BHED C[C@H]1CCCC[C@H]1CNc1ccc(CC#N)cc1 394849620 HDZRRYHPCPFTCP-ZFWWWQNUSA-N 242.366 3.991 30 20 BHED C[C@H](CN1CCC[C@@H](CC#N)C1)C1CCCCC1 397697611 ZNMANZWDUBTISB-CABCVRRESA-N 248.414 3.828 30 20 BHED C[C@@H]1CCC[C@@H](CNC2CCC(C)(C#N)CC2)C1 449091697 KDYSTJQNDITDRX-WXLSXGNJSA-N 248.414 3.875 30 20 BHED CC[C@H](N[C@H]1CCC[C@@H](C#N)C1)C1CCCC1 449665024 DAUKRFPTVILZGC-SNPRPXQTSA-N 234.387 3.627 30 20 BHED C=CCC1(CNC(=O)C[C@H]2C=CCC2)CCCC1 456488730 RZTQBZQRNIYCBJ-AWEZNQCLSA-N 247.382 3.595 30 20 BHED CC#CCCCC(=O)NCC[C@@H]1CCCC[C@H]1C 466443088 AYLQAGQTFIDPQM-CABCVRRESA-N 249.398 3.513 30 20 BHED C[C@@H](CSCC1(C#N)CC1)c1ccccc1 481939652 BXCPWIFLNSLHAJ-LBPRGKRZSA-N 231.364 3.827 30 20 BHED CC#CCN(CC1CCC1)[C@@H](C)c1ccccc1 525121647 XTOHQRCRNJAGIH-HNNXBMFYSA-N 241.378 3.873 30 20 BHED C=C1CCN([C@H](C)c2c(F)cccc2F)CC1 594733951 AUQTWTJERWCJGS-LLVKDONJSA-N 237.293 3.678 30 20 BHED CC[C@@H](NCC1CC(C)C1)c1ccc(C#N)cc1 598679910 QJESWRVXKVXPSM-LDZOIKDWSA-N 242.366 3.645 30 20 BHED C=C(C)CN1CC[C@@H](c2ccccc2)[C@H](C)C1 607752351 UAOOBIWCKVOFSA-GDBMZVCRSA-N 229.367 3.688 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccsc1C 634218399 UTSILUBNOLNYEJ-LBPRGKRZSA-N 223.341 3.597 30 20 BHED C=CC[C@H](CC)NC(=O)C(CC)(CC)CC 684939082 MIUWEYGPYWRQMT-LBPRGKRZSA-N 225.376 3.674 30 20 BHED C=CCC1(NCc2cc(C)ccc2O)CCCC1 690720895 BMRRDWGJKCRLEL-UHFFFAOYSA-N 245.366 3.679 30 20 BHED C=CC1CCN(C(=O)/C=C\C2CCCCC2)CC1 735440973 PJCNKFRNPHUJTN-HJWRWDBZSA-N 247.382 3.548 30 20 BHED CCCCCCCCN(C)Cc1cscn1 740875921 LUTSYNYBVICIGV-UHFFFAOYSA-N 240.416 3.935 30 20 BHED C=C(Cl)CN(CCC)Cc1ccc(F)cc1 746654013 XNVMONTVWOXKOS-UHFFFAOYSA-N 241.737 3.790 30 20 BHED C#CCCN1CCCCC[C@H]1c1ccc(C)o1 752855318 IZLJMKVCEFTIEM-AWEZNQCLSA-N 231.339 3.528 30 20 BHED CC[C@H](C)c1ccc(C(=O)O[C@@H](C#N)CC)cc1 756303295 ZMFVDCFSQNBSSQ-SMDDNHRTSA-N 245.322 3.659 30 20 BHED C#CCCCC(=O)Oc1ccc(C(C)(C)C)cc1 757767914 PZQYIQFJBCADAI-UHFFFAOYSA-N 244.334 3.693 30 20 BHED C=CCC[C@H](CCC)N[C@H](C)Cc1ccco1 764772072 XOBNXWFLUWBWRO-KGLIPLIRSA-N 235.371 3.935 30 20 BHED Cc1ccc(C)c(C(=O)/C=C\c2cncs2)c1 767718624 RUXOUESBLNETCM-WAYWQWQTSA-N 243.331 3.656 30 20 BHED Clc1ccnc(NN=C2CCC23CCCC3)c1 788724657 CJKGWOSIPQKRQS-UHFFFAOYSA-N 249.745 3.857 30 20 BHED CC[C@@H]1CCC1=NNc1ccc2ccccc2n1 807944768 OTLWJAFQIVVDHY-LLVKDONJSA-N 239.322 3.823 30 20 BHED CCOCC(C)=NNc1c(C)cccc1C(C)C 812233329 XCSOBTPAQOZTGJ-UHFFFAOYSA-N 248.370 3.943 30 20 BHED Cc1cc(C=NOC(C)(C)C)c(C)n1C1CC1 1336226991 FWJMPFSJTRFSQA-UHFFFAOYSA-N 234.343 3.589 30 20 BHED CC(C)[C@H]1CN(C[C@H](C)CCC#N)[C@H]1C(C)C 1621334422 MKIUCNPPNFOSET-KFWWJZLASA-N 236.403 3.539 30 20 BHED C[C@H](CN[C@@H]1CC[C@H](C#N)C1)CC1CCCCC1 1658164131 LSSVCLWCROLBQL-CWRNSKLLSA-N 248.414 3.875 30 20 BHED Fc1ccc(NN=C2CCCCCC2)cc1 6674968 QMPRLQJHBKZKLJ-UHFFFAOYSA-N 220.291 3.948 30 20 BHED CC(C)CC[C@@H](C)Nc1cccc(C#N)c1 21503225 MDNFFIZOBFTZHG-GFCCVEGCSA-N 216.328 3.795 30 20 BHED N#CCOc1cccc(NC2CCCCCC2)c1 37069496 XTNCUUCXRUNFOK-UHFFFAOYSA-N 244.338 3.724 30 20 BHED C=C(C)CN(C)[C@@H](C)c1ccc(C)cc1 47959639 BKPQSPKALBRREN-ZDUSSCGKSA-N 203.329 3.564 30 20 BHED CC(C)(C#N)CCCOc1ccc(F)cc1 57713437 PGRJMBLGUHKMPY-UHFFFAOYSA-N 221.275 3.534 30 20 BHED CC[C@H](C)CN(CC)c1cccc(F)c1C#N 93406699 VYZKTDRLTVTYTQ-NSHDSACASA-N 234.318 3.570 30 20 BHED CCCCCCC[C@H](C)NCC1(O)CCCC1 114850469 NGKXXIDNWDKEMJ-AWEZNQCLSA-N 241.419 3.630 30 20 BHED C=CCN(Cc1ccsc1)Cc1cccs1 119947346 VVGLEEOPHBKPBT-UHFFFAOYSA-N 249.404 3.998 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(Cl)cc1 168045729 SANGCMNNSFTFLT-LLVKDONJSA-N 223.747 3.957 30 20 BHED C=CCCCC(=O)N(CC=C)Cc1cccs1 175122572 KGQMRXFKFJXGGX-UHFFFAOYSA-N 249.379 3.619 30 20 BHED CCSCCSCc1ccccc1C#N 180774618 PSEXWWKVDVSEOF-UHFFFAOYSA-N 237.393 3.545 30 20 BHED CCSc1cccc(CN(C)[C@H](C)CC#N)c1 186214453 ATADYFOCBSXUEN-GFCCVEGCSA-N 248.395 3.533 30 20 BHED CCCS[C@@H](C)c1cccc(C#N)c1 190785657 MTFHQIWJUGEGJG-JTQLQIEISA-N 205.326 3.762 30 20 BHED C=CCC1(C(=O)Nc2ccc(C)cc2F)CCC1 191377605 LVBIGKPRHBACIR-UHFFFAOYSA-N 247.313 3.819 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCCc2c(O)cccc21 191637706 LHZSDYFPYISIKJ-SWLSCSKDSA-N 245.366 3.714 30 20 BHED CCCCCCCCN[C@]1(C)CCO[C@@H]1C 232940462 CRHCRSUTQYJTSV-ZIAGYGMSSA-N 227.392 3.504 30 20 BHED CC[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 249121828 AHLRLUKYIQRNJL-ZIAGYGMSSA-N 242.366 3.741 30 20 BHED C=CCCCCN[C@@H](C)c1cccc(C#N)c1 274415629 FQUDFVRMQFSOMQ-ZDUSSCGKSA-N 228.339 3.565 30 20 BHED C#C[C@H](NCc1csc2ccccc12)C(C)C 302333048 LBPZPMYRLKAFBO-AWEZNQCLSA-N 243.375 3.649 30 20 BHED C[C@@H](SCCCC#N)c1cccs1 308311586 RVYYNNOUKSEQSI-SECBINFHSA-N 211.355 3.846 30 20 BHED C#CCCCCN[C@H]1C[C@@H](C)c2ccccc21 310166308 JWSHEFDKHMCRKZ-CJNGLKHVSA-N 227.351 3.628 30 20 BHED C=CCC(C)(C)CNCc1ccc(OCC)cc1 311158529 LLTXCTMMEFVHDX-UHFFFAOYSA-N 247.382 3.777 30 20 BHED C=CCCCNc1ccc(-n2ccc(C)n2)cc1 340618389 GFLJQAFWHYCHMS-UHFFFAOYSA-N 241.338 3.559 30 20 BHED C=CCC[C@@H](C)NCc1c(C)cccc1F 390121592 FZBJWYISWBJRIZ-GFCCVEGCSA-N 221.319 3.578 30 20 BHED C[C@@H]1C[C@H](NCC(C)(C)CC#N)c2ccccc21 414165993 MTTMRSVRQFUGJV-DOMZBBRYSA-N 242.366 3.764 30 20 BHED CC/C=C\CCSCC1(C#N)CCC1 419454921 VDWFIWIATFXPGX-ARJAWSKDSA-N 209.358 3.770 30 20 BHED C=CCCc1nc(C(C)(C)c2ccccc2)no1 445474583 YMYBMKNDDZWUOW-UHFFFAOYSA-N 242.322 3.514 30 20 BHED C=C(C)CCNCCCCCOc1ccccc1 449470887 BMHYOTADFJNKPN-UHFFFAOYSA-N 247.382 3.792 30 20 BHED C=CCCC[C@@H](C)NC(=O)C(C)(C)C1CCC1 450428480 WKSHKVKUTVCCKD-GFCCVEGCSA-N 237.387 3.674 30 20 BHED C=CCCCC(=O)Nc1cccc(OC(C)C)c1 452685314 QBACPUNOINBJTC-UHFFFAOYSA-N 247.338 3.769 30 20 BHED C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[C@H]1C 467948867 MHQVBZSXVCJVQT-VNHYZAJKSA-N 237.387 3.531 30 20 BHED C[C@@H]1CCC[C@H](CN[C@@H]2CCC[C@@H](C#N)C2)[C@@H]1C 481987919 ADKPLBVXBRKIOE-OXGONZEZSA-N 248.414 3.731 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)CC1CCCC1 488857955 COCBDMPPXQLMBL-ZFWWWQNUSA-N 249.398 3.770 30 20 BHED C=C(C)CN1CCC[C@@H]1Cc1ccccc1C 514177606 FQVVCCMVRGVZLM-MRXNPFEDSA-N 229.367 3.578 30 20 BHED N#Cc1ccccc1-c1ccc(O)c(Cl)c1 536952599 FTJPNNCMPVMVDX-UHFFFAOYSA-N 229.666 3.584 30 20 BHED C=C(CC)CSc1ccc(OC)cc1 539118563 OODDTKMNLYUBPY-UHFFFAOYSA-N 208.326 3.754 30 20 BHED CC#CCN[C@@H](CCCC)c1ccc(OC)cc1 539305276 IMMWCOQGQVLYDI-INIZCTEOSA-N 245.366 3.539 30 20 BHED CC(C)(C)C1CCC(CNCC2(C#N)CC2)CC1 562391538 IZMQUVSNIMGDOK-UHFFFAOYSA-N 248.414 3.732 30 20 BHED Cc1ccc(NC(=O)CCCCCC#N)cc1F 588146864 AFTCWYWZBYMZJN-UHFFFAOYSA-N 248.301 3.547 30 20 BHED C=CCCN1CCC[C@@H]1c1ccccc1C 606896117 XUXYDBAXUJANIZ-OAHLLOKOSA-N 215.340 3.708 30 20 BHED C=CC[C@H]1CCCC[C@H]1N[C@H](C)C1CC1 658028226 RFNYNZBCSOYULK-KWCYVHTRSA-N 207.361 3.509 30 20 BHED Oc1ccc2ccccc2c1/C=N\CCC1CC1 743044437 JGQTYZOGHLSQCW-BOPFTXTBSA-N 239.318 3.764 30 20 BHED C=CCCCSCc1cccnc1Cl 751602703 JXVYGVBVYBFHDR-UHFFFAOYSA-N 227.760 3.934 30 20 BHED C#CCCN[C@@H](CC(C)C)c1ccccc1C 775405297 BOSGDWWCQMVUKF-INIZCTEOSA-N 229.367 3.695 30 20 BHED C=CCCC(CC)=NNc1cc(Cl)ccn1 777907561 YFQTYEUTIFYIHI-UHFFFAOYSA-N 237.734 3.879 30 20 BHED CCC(CC)NN=C[C@@H]1CCCC[C@H]1C 783847639 WLNYCWWCJQGYHR-NEPJUHHUSA-N 210.365 3.577 30 20 BHED CC[C@@H](C)NN=CC1CCC(C)(C)CC1 790187073 DHBXVFYKPVNGPU-LLVKDONJSA-N 210.365 3.577 30 20 BHED CCCCCCCN1CCC(F)(F)CC1 796538956 RITIKPZTHJVJAH-UHFFFAOYSA-N 219.319 3.688 30 20 BHED Cc1cccc(NN=C2CCC23CCC3)c1 799865198 XDHXRJCSHCKCBV-UHFFFAOYSA-N 214.312 3.727 30 20 BHED CC(C)CCC(=NOCC1CC1)C1CC1 814243115 GHUKKXQZIVNLLR-UHFFFAOYSA-N 209.333 3.615 30 20 BHED CC(=NOCC1CC1)[C@H](C)c1ccccc1 814243789 NPOUKIRQULZNBA-NSHDSACASA-N 217.312 3.593 30 20 BHED C=CCCCCOc1ccc(NC(=O)OC)cc1 842022622 ZHEUAMKTGGJUKI-UHFFFAOYSA-N 249.310 3.600 30 20 BHED CC(C)(C)SCCS[C@H](C#N)C1CC1 865365748 UCMSDSUYFRGBMI-SNVBAGLBSA-N 229.414 3.553 30 20 BHED Cc1ccc([C@@H](NCC(C)(C)C#N)C2CCC2)o1 903100512 QTMDVAWTCLIRGK-AWEZNQCLSA-N 246.354 3.569 30 20 BHED C[C@@H](NN=CC1CCCCC1)c1ccccc1 920386410 ZSGCHXVAVJVRHK-CYBMUJFWSA-N 230.355 3.903 30 20 BHED CC[C@H](C#N)Sc1cccc(Cl)c1 54185553 VAHRSLYEOXWKST-SECBINFHSA-N 211.717 3.734 30 20 BHED C[C@@H]1CC(Nc2ccc(C#N)cc2)C[C@@H](C)C1 84439137 MHOXZKSCZWFFLF-RYUDHWBXSA-N 228.339 3.795 30 20 BHED Cc1ccc(F)c(NCc2cc(C#N)cs2)c1 93685575 MFOMHFCUQMUVJE-UHFFFAOYSA-N 246.310 3.679 30 20 BHED CCCCCCCC(=O)NOCc1ccccc1 106167435 WRRGQOIIFBCTEX-UHFFFAOYSA-N 249.354 3.595 30 20 BHED C=C[C@H](C)N[C@H]1CCSc2ccc(F)cc21 122947743 XWVUFXWZLMZFOW-CABZTGNLSA-N 237.343 3.527 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1ccoc1 133097147 YHPXBICQTSHFOV-VXGBXAGGSA-N 207.317 3.675 30 20 BHED N#Cc1cc(CSc2ccccc2)ccc1F 158032973 RVRAUBWKLUVFEJ-UHFFFAOYSA-N 243.306 3.990 30 20 BHED C=CCC[C@@H](N[C@H](C)CC)c1ccco1 295964754 MHZJRMFISBBDFZ-VXGBXAGGSA-N 207.317 3.675 30 20 BHED C=CCCSc1nc2ccc(Cl)cc2[nH]1 303792984 KESKHORMAYFHCP-UHFFFAOYSA-N 238.743 3.885 30 20 BHED C=CC[C@H](CC)N[C@H]1CCC12CCCC2 309212612 SZYJWOMJKGJXKX-STQMWFEESA-N 207.361 3.654 30 20 BHED CCN(C[C@@H](C)C#N)C[C@H](C)C1CCCCC1 384076486 WNTAMHQXHJIJKL-KBPBESRZSA-N 236.403 3.684 30 20 BHED C=CC[C@H](CC)NCc1cc(F)c(F)cc1F 393769427 DRQKZVJRDJGRSQ-JTQLQIEISA-N 243.272 3.548 30 20 BHED C=CC[C@H](CC)Nc1cccc(F)c1[N+](=O)[O-] 393785455 XFLIDCJUTXECJM-VIFPVBQESA-N 238.262 3.501 30 20 BHED C=CCCC(=O)N1CC[C@H](C)c2cccc(C)c21 410966415 FTFUGGOKMUZFNM-LBPRGKRZSA-N 243.350 3.801 30 20 BHED C=C(C)C(C)(C)c1nc(-c2cccs2)no1 424220666 IVSGOEZBHLXMHE-UHFFFAOYSA-N 234.324 3.652 30 20 BHED C=C[C@H](C)NCc1cc2ccccc2cc1OC 449192002 QAYIQYMCDKYDLU-LBPRGKRZSA-N 241.334 3.513 30 20 BHED C=CC[C@H](C)[C@@H](C)NCc1cc(C)cs1 449475051 DXSSGTWAKUJQFL-NWDGAFQWSA-N 223.385 3.747 30 20 BHED CC(C)(C)C1CC(NCC2CCC(C#N)CC2)C1 459538938 VZCIXOGLPRSJMY-UHFFFAOYSA-N 248.414 3.731 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccccc1N(C)C 467407997 VRJMXCMWSCOOPT-ZIAGYGMSSA-N 246.398 3.758 30 20 BHED CC(C)CC[C@@H](C)NCCc1cccc(C#N)c1 467434315 USFGEXQVCWIQLL-CQSZACIVSA-N 244.382 3.515 30 20 BHED C=CCCCCN[C@H](C)[C@@H](OC)c1ccccc1 494786639 GGFDWUNXEPDAPG-GDBMZVCRSA-N 247.382 3.709 30 20 BHED C=C(C)CCN(CCC)CCc1cccs1 509625686 ZSTJNJXFYVVVSE-UHFFFAOYSA-N 237.412 3.969 30 20 BHED C=CCCc1noc([C@H]2CCC(C)=C(C)C2)n1 574322149 QKKMISOEMLGRPF-LBPRGKRZSA-N 232.327 3.792 30 20 BHED C=CCN1CCCCC[C@H]1c1ccc(CC)o1 606899067 GGZULBBETUIYAF-AWEZNQCLSA-N 233.355 3.945 30 20 BHED C=CCCCCCN(C)C(=O)/C=C/CCC 739809895 LDDUGAMUVPUBRT-ZRDIBKRKSA-N 223.360 3.548 30 20 BHED C=CCN(C(=O)CC1(C)CCCCC1)C(C)C 753047286 UZNMJMJGSZGHKW-UHFFFAOYSA-N 237.387 3.770 30 20 BHED CCCCCCCS[C@@H]1CCO[C@@H]1C 754724237 RFPMSTZGTLIXIF-VXGBXAGGSA-N 216.390 3.867 30 20 BHED C=CCNc1ccc(OCC(F)(F)F)c(C)c1 756812244 GOWZCQCQWLWDQZ-UHFFFAOYSA-N 245.244 3.534 30 20 BHED C/C(C=NOCC(F)(F)F)=C\c1ccccc1 764847203 UIHVDUJUPKDYOY-GTCNIQNQSA-N 243.228 3.655 30 20 BHED Cc1ccc(C=NOCCC(F)(F)F)cc1C 777459093 GXKJWSQARZZJHK-UHFFFAOYSA-N 245.244 3.606 30 20 BHED CC1=CCC[C@H](C)[C@H]1C=NOCCC(F)(F)F 777462775 LTSQFLMCNLTKQM-QWRGUYRKSA-N 249.276 3.934 30 20 BHED CC(C)(C)SCCSCC1(C#N)CC1 783551734 PWSXDZYUPFSYHJ-UHFFFAOYSA-N 229.414 3.555 30 20 BHED CCCCCCCCS(=O)(=O)C[C@H](C)CC 790173786 NIGBKGVXFHDPHT-CYBMUJFWSA-N 248.432 3.808 30 20 BHED CC1=CC(=NOC2CCC2)CC(C)(C)C1 812235381 UKFNURAIGHCVCZ-UHFFFAOYSA-N 207.317 3.678 30 20 BHED CC(=NOCC1CC1)c1oc2ccccc2c1C 814243882 ROHSIYCKCJMLRQ-UHFFFAOYSA-N 243.306 3.892 30 20 BHED CC[C@@H](C)NN=C1CC[C@H](Cc2ccccc2)C1 814912799 AXYYNANADNDVCK-UKRRQHHQSA-N 244.382 3.773 30 20 BHED c1ccc([C@@H]2CCC(=NOCC3CC3)C2)cc1 814941274 UEJYYCDYUABFHK-CQSZACIVSA-N 229.323 3.737 30 20 BHED C=C[C@H](CC)CC(=O)Nc1cccc(OC)c1C 827178387 MKQPSEBGTNSMNJ-GFCCVEGCSA-N 247.338 3.544 30 20 BHED C=CCCCCC(C)=NOC/C=C/Cl 834979513 OAXWTIFEVPXNKS-KQIXCLQISA-N 215.724 3.878 30 20 BHED C=C[C@H](C)ON=C(C)c1cccc(C)c1C 844623017 DIRAKFVRFAKXBA-NSHDSACASA-N 217.312 3.619 30 20 BHED C[C@H](CC(C)(C)C#N)OC(=O)CC1=CCCCC1 851210101 NVASWDGAFIKEQN-GFCCVEGCSA-N 249.354 3.748 30 20 BHED C#CCCOC(=O)Oc1ccccc1[C@@H](C)CC 858878489 UXMILQIFYFDSOE-LBPRGKRZSA-N 246.306 3.739 30 20 BHED Cc1cccc(C=NNc2cc(F)cc(F)c2)c1 920376633 MMWQBKSNTRANMF-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C=CCCN(C)c1c(C)cnc2ccccc12 1320606557 FFKHEHQVHYDZMV-UHFFFAOYSA-N 226.323 3.556 30 20 BHED Cc1cc(C)cc(OCc2ccccc2C#N)c1 11834107 ARWPNRLPPUWFLN-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C=C(C)CN(CC)C(=O)Nc1ccc(CC)cc1 33613825 QCUXEEOHSFLGDH-UHFFFAOYSA-N 246.354 3.679 30 20 BHED Cc1ccc(CNc2ccc(CC#N)cc2)cc1 35046241 KBMILRJKJLOWHQ-UHFFFAOYSA-N 236.318 3.673 30 20 BHED CCc1cccc(NC(=O)C(C#N)(CC)CC)c1 44765076 FZOFOCYHLNXTBG-UHFFFAOYSA-N 244.338 3.517 30 20 BHED CC(C)CCN(Cc1ccccc1C#N)C1CC1 45751711 VVONHCYCNADOEU-UHFFFAOYSA-N 242.366 3.569 30 20 BHED C=C(C)CN(C)c1cccc2ccccc12 65611834 IDEQZNBULWDDDS-UHFFFAOYSA-N 211.308 3.852 30 20 BHED C=CC[C@H](C)[C@@H](C)Nc1cccc(C#N)c1 134798045 QFSXSUHPXHNASE-NWDGAFQWSA-N 214.312 3.571 30 20 BHED C=CCCNCc1cc(F)cc(C(F)(F)F)c1 161745785 RVXZMNRTUOYQQP-UHFFFAOYSA-N 247.235 3.510 30 20 BHED C=CC[C@H](C)N[C@H](C)CCc1cccc(C)c1 163327408 IOAHHENWKRTZID-LSDHHAIUSA-N 231.383 3.870 30 20 BHED C=C(Cl)CN[C@H]1CCCC[C@H]1C(C)(C)C 167737065 YIKFJNYXIOCATK-NEPJUHHUSA-N 229.795 3.933 30 20 BHED CC#CCCCC(=O)N(C)[C@@H]1CCCC[C@H]1CC 185840048 DXAGUMCYRNFAOT-HUUCEWRRSA-N 249.398 3.607 30 20 BHED CCN(CC[C@@H](C)c1ccccc1)C[C@@H](C)C#N 193761074 XSJCPTWWHKHDCE-LSDHHAIUSA-N 244.382 3.662 30 20 BHED CN(CC1(C#N)CC1)c1ccc(C(C)(C)C)cc1 258989761 VMQNQTHLRGPXLR-UHFFFAOYSA-N 242.366 3.724 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccccc1CC 297808641 KTXVUDUCOUCNTD-UHFFFAOYSA-N 231.339 3.790 30 20 BHED C=CCCCCNCc1ccc(SC)s1 309084557 VOFSSXGUVKPGJM-UHFFFAOYSA-N 241.425 3.916 30 20 BHED CN(Cc1ccc(C#N)cc1)[C@@H]1CCC(C)(C)C1 347318536 XBFGWVKBMQNIJO-OAHLLOKOSA-N 242.366 3.569 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CC23CCCCC3)CC1 356630907 LUPQVZGLUPXKEN-CYBMUJFWSA-N 247.382 3.572 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(CC)s1 387308863 BICSZXDDDXTTJN-LLVKDONJSA-N 223.385 3.927 30 20 BHED N#CCCN[C@@H](CC1CCCC1)c1ccccc1 411478927 GAGIJLFPEUOROO-INIZCTEOSA-N 242.366 3.811 30 20 BHED CC[C@H](NCc1cc(C#N)cs1)[C@@H]1CC1(C)C 418109252 TVSKGERMWWLDJY-STQMWFEESA-N 248.395 3.534 30 20 BHED C=C(C)CCN(C)Cc1cccc(C)c1C 428715481 GKRMHNRLSLSDFX-UHFFFAOYSA-N 217.356 3.701 30 20 BHED C=C(C)CSCc1ncccc1C(F)(F)F 432230476 CCMPVJUXFZZSPQ-UHFFFAOYSA-N 247.285 3.910 30 20 BHED C=CCC[C@H](CCC)NCc1cnc(C2CC2)o1 449702196 CWHLBBZXUDWYDT-ZDUSSCGKSA-N 248.370 3.777 30 20 BHED C=C(C)CCc1noc(CCC(C)(C)C)n1 508596635 UHGIXJIVXBHICH-UHFFFAOYSA-N 222.332 3.557 30 20 BHED C=CCOc1ccc(CN[C@@H]2CC[C@H]2CC)cc1 558255979 QAFXKCVXTMDGSE-GDBMZVCRSA-N 245.366 3.530 30 20 BHED C=C(C)CN1CCC[C@@H](Cc2ccc(C)cc2)C1 576540414 NAJDKGPUBIAWBA-KRWDZBQOSA-N 243.394 3.826 30 20 BHED N#CC1(c2ccc(-c3ccoc3)s2)CCC1 592989798 ZONGCPWDUPSRDE-UHFFFAOYSA-N 229.304 3.953 30 20 BHED C[C@H](c1cccc(F)c1)N1CCC[C@@H](CC#N)C1 595613349 BMDJCVDJTLAIPC-OLZOCXBDSA-N 246.329 3.512 30 20 BHED CC[C@H](C#N)Nc1cc(C(C)(C)C)ccc1OC 614788079 UMYIUEOWJPZYOY-GFCCVEGCSA-N 246.354 3.707 30 20 BHED C=CCC1(C(=O)N[C@@H](CC)C2CC2)CCCCC1 618857936 LYFSGVJVVIIRLZ-AWEZNQCLSA-N 249.398 3.818 30 20 BHED C=CCC1(NCc2cc(C3CC3)no2)CCCC1 661850343 HZUNRCDHUJHIKO-UHFFFAOYSA-N 246.354 3.531 30 20 BHED CC1(C)CCCC1=NNc1ccc(Cl)nc1 749860248 ZDFYFRHQWCYSPC-UHFFFAOYSA-N 237.734 3.713 30 20 BHED CCCC=NNc1ncc(Cl)cc1Cl 755542342 OZXGNMJKJXSRJD-UHFFFAOYSA-N 232.114 3.586 30 20 BHED CC1=CCC[C@H](C)[C@H]1C=NOCC(C)C 773208707 NUKGTZOAHJNJEO-STQMWFEESA-N 209.333 3.637 30 20 BHED C[C@H]1Cc2ccccc2C1=NOC1CCCC1 774596818 MQIIGQUGZSWEFJ-NSHDSACASA-N 229.323 3.542 30 20 BHED C=CCN(CC=C)C(=O)[C@H](CC)CCCCC 775639094 LEQSYKAABUPASX-CQSZACIVSA-N 237.387 3.794 30 20 BHED N#Cc1cccc(NCc2ccc(CF)cc2)c1 777538393 BIPIVWZSDBNMFC-UHFFFAOYSA-N 240.281 3.640 30 20 BHED O=C(/C=C/c1scnc1C1CC1)c1ccco1 782346845 FDHSTSSUXGRHDM-AATRIKPKSA-N 245.303 3.510 30 20 BHED CC(=NN[C@H](C)C(C)(C)C)c1cc(C)oc1C 793112093 PCUJDLLSXNHPNE-GFCCVEGCSA-N 236.359 3.645 30 20 BHED CC(C)[C@@H]1CCCCC1=NNc1cccc(F)n1 795007991 BFRHQDYSGNBZTB-NSHDSACASA-N 249.333 3.835 30 20 BHED CC(C)C[C@H](C)C=NOCCC(F)(F)F 799113782 VBIZVTHBYDSCBL-VIFPVBQESA-N 225.254 3.623 30 20 BHED C[C@@H](C=NOC/C=C\Cl)c1ccccc1 811669065 BLBNZKROHBNBJF-NVJMIFCGSA-N 223.703 3.545 30 20 BHED CC[C@@H]1CCCCC1=NOC/C=C/Cl 811671355 DCKVLGMISDBRKH-YSKYBBNYSA-N 215.724 3.712 30 20 BHED N#CCCCSCC[C@@H]1CC1(Cl)Cl 818157302 OEMDFXOTZPRNAP-MRVPVSSYSA-N 238.183 3.607 30 20 BHED N#CCCS[C@@H]1CCc2cc(Cl)ccc21 840213720 QKVNQWIZJXQIGG-GFCCVEGCSA-N 237.755 3.974 30 20 BHED C#CCCCCCOC(=O)C[C@@H](C)c1ccco1 860643583 SGYSMLWFHPWNBP-CYBMUJFWSA-N 248.322 3.510 30 20 BHED CC[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 1307515388 MOBFADBLOGUQAJ-HNNXBMFYSA-N 248.414 3.973 30 20 BHED C=C(Cl)CN(c1cccc(F)c1)C(C)C 1560014522 WDTFBRZJIJLRMW-UHFFFAOYSA-N 227.710 3.793 30 20 BHED C[C@@H](CC1CCCCC1)CN1CCC[C@@H](C#N)C1 1561003974 OCKFSYHRXVCVDY-HOCLYGCPSA-N 248.414 3.828 30 20 BHED Cc1ccc(CNc2cccc(C#N)c2)cc1C 37203241 BFLQGOYKRVTXQD-UHFFFAOYSA-N 236.318 3.787 30 20 BHED C=C(C)COCCN[C@@H](C)c1ccc(C)c(C)c1 90451130 XLQMEGAJHDVFGM-HNNXBMFYSA-N 247.382 3.547 30 20 BHED C[C@@H](N[C@H]1CCCC1(C)C)c1cccc(C#N)c1 94321632 HJCSGKBTXUCVBV-DOMZBBRYSA-N 242.366 3.788 30 20 BHED Cc1ccccc1Oc1cccc(F)c1C#N 112011604 JZSLFQMGMMSQNT-UHFFFAOYSA-N 227.238 3.798 30 20 BHED C=CCCCSCc1ccc(Cl)nc1 117944531 DBLXBRZSYGYTBS-UHFFFAOYSA-N 227.760 3.934 30 20 BHED C=C(CN[C@@H](C)[C@H](C)CC)c1ccccc1 132307128 ALSMZPLUYHWEMT-OCCSQVGLSA-N 217.356 3.724 30 20 BHED CC(C)CCCSC[C@@H](C#N)CCC#N 180797913 WERJPMGCZGQSNN-GFCCVEGCSA-N 224.373 3.599 30 20 BHED C=CCCC(=O)Nc1ccc2occ(C)c2c1 185770875 IGLXHMOZWGGTOU-UHFFFAOYSA-N 229.279 3.646 30 20 BHED C=CC1CCN([C@H](C)c2cccc(C#N)c2)CC1 187689737 GMTQOYQPIYLNBX-CYBMUJFWSA-N 240.350 3.517 30 20 BHED C=CC[C@H](C(=O)NCCCCC)c1ccccc1 189362841 YPDAAYDIIZSGNK-HNNXBMFYSA-N 245.366 3.653 30 20 BHED CCCCCCCCS(=O)(=O)C1CCCC1 191021795 QRGOTNFNLLSOHW-UHFFFAOYSA-N 246.416 3.704 30 20 BHED C=CC[C@@H](C)[C@@H](C)Nc1ccc(COC)cc1 193420319 RNXYZECQRMEPSO-CHWSQXEVSA-N 233.355 3.846 30 20 BHED CCCC[C@@H](CCC)Nc1ncccc1C#N 226261407 HKKBSTZPKQQSSM-CYBMUJFWSA-N 231.343 3.724 30 20 BHED C=CCSCCNCc1ccccc1C1CC1 227125033 ITKNRCDELRHOBG-UHFFFAOYSA-N 247.407 3.573 30 20 BHED C=CC[C@@H](C)NCc1ccc(Cl)cc1C 231747436 RNRMHLONJVWIHQ-LLVKDONJSA-N 223.747 3.703 30 20 BHED CCCCCCC[C@H](C)N[C@@H]1CCSC1 231883868 KYWPNNYSTZPTBF-QWHCGFSZSA-N 229.433 3.831 30 20 BHED C=CCCCCCOc1cccc(C=O)c1 232586261 YWTNQLGJSFXUOA-UHFFFAOYSA-N 218.296 3.624 30 20 BHED C=CCC[C@@H](C)Nc1ccccc1O[C@@H](C)C#N 273449339 OITUREBYRCGNNE-OLZOCXBDSA-N 244.338 3.744 30 20 BHED C=CCCCCCCN[C@@H](C)c1nccnc1C 287208007 WTCCJXMEDYIRIC-ZDUSSCGKSA-N 247.386 3.572 30 20 BHED C[C@@H](CCC#N)SCc1c(F)cccc1F 289303003 BSZMLKFMVWKNOS-VIFPVBQESA-N 241.306 3.890 30 20 BHED C=CCCCCN[C@@H](C)c1ccc(F)c(F)c1 310080181 ITDMUFBUIFNNOK-NSHDSACASA-N 239.309 3.972 30 20 BHED CC[C@H](N[C@H](C)c1ccc(C#N)cc1)[C@@H]1C[C@H]1C 322007652 IAYMBKGTQBQWAV-BHTHQVBYSA-N 242.366 3.643 30 20 BHED CC1(C)C[C@@H](Sc2ccc(C#N)cc2)CCO1 335629562 XTMQDMHODXCDSK-ZDUSSCGKSA-N 247.363 3.608 30 20 BHED C=C[C@](C)(CC)C(=O)N1CC[C@H](C)C2(CCC2)C1 353451303 WPIURAPHWXATJZ-DZGCQCFKSA-N 249.398 3.627 30 20 BHED CCCC[C@H](C)N(C)Cc1ccc(C#N)c(F)c1 404059374 MAAWYCZTGPGZSP-LBPRGKRZSA-N 248.345 3.708 30 20 BHED N#CC1(CCN2CC[C@@H]3CCC[C@H]32)CCCCC1 411565431 FIGOOVMXKVOQLM-LSDHHAIUSA-N 246.398 3.725 30 20 BHED C[C@@H]1CCC[C@@H]1NCCC1(C#N)CCCCC1 411649430 PSLLHDOOMZTOCB-KGLIPLIRSA-N 234.387 3.629 30 20 BHED C=CCC[C@H](C)NCc1cnccc1C(C)(C)C 414239486 YVACOBMTXOKSIL-ZDUSSCGKSA-N 246.398 3.823 30 20 BHED N#CC1(CSCCCCCF)CCC1 419498026 TZEWGULIPPLNDH-UHFFFAOYSA-N 215.337 3.553 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H]1CCC 451249994 QPHMPZFVJSLETD-KFWWJZLASA-N 249.398 3.770 30 20 BHED C=C[C@@H](C)NC(=O)Nc1ccc(C(C)C)cc1 465174399 YUBYDMRFPQNSEH-LLVKDONJSA-N 232.327 3.506 30 20 BHED C=CCN(Cc1ccc(F)c(Cl)c1)C1CC1 530336969 VZVCXMGHEFADDT-UHFFFAOYSA-N 239.721 3.630 30 20 BHED C=C(CC)CN(CCOC)[C@H](C)c1ccccc1 538003536 ZCHKOGNCIAMRIF-OAHLLOKOSA-N 247.382 3.662 30 20 BHED C=CCCCSCc1cccc(C#N)c1F 538148394 XDTQQNBXJQFKBF-UHFFFAOYSA-N 235.327 3.897 30 20 BHED C=CCN(CC=C)[C@H](C)CCc1cccc(F)c1 543058867 QVOIVBPIYYRJCB-CQSZACIVSA-N 247.357 3.821 30 20 BHED CCC[C@@H]1CCCC[C@@H]1NC[C@@H](C)CCC#N 602535620 QTHQBHJNTQQVPJ-ZNMIVQPWSA-N 236.403 3.875 30 20 BHED C=C(C)CN(C)C(=O)Nc1ccc(C2CC2)cc1 679235243 YUFHPVRNFRRNFI-UHFFFAOYSA-N 244.338 3.604 30 20 BHED C=CC[C@H](C)C(C)=NNc1ccc(F)cc1F 727779611 MJTIPVMVLHJCRV-VIFPVBQESA-N 238.281 3.965 30 20 BHED Fc1ccc(NN=CC2CCCC2)c(F)c1 741837001 GZRBEJPSIHUXJJ-UHFFFAOYSA-N 224.254 3.553 30 20 BHED Oc1ccccc1/C=N\[C@@H]1CC[C@@H]2CCC[C@@H]2C1 741843786 MBUPVDAKZHMGET-WFGOLCJDSA-N 243.350 3.780 30 20 BHED CC[C@H](C)C[C@H](C)/N=C/c1ccccc1O 743042458 LEDUXAMJJBNYCC-ZQVVPALOSA-N 219.328 3.636 30 20 BHED C=CCC[C@H](C)Nc1ccc2c(c1)C[C@@H](OC)C2 757872532 CVEQACRAOBWUFQ-LRDDRELGSA-N 245.366 3.567 30 20 BHED CC(Cc1ccc(Cl)cc1)=NOCC(F)F 758903514 KUMZHLCZZOVAMD-UHFFFAOYSA-N 247.672 3.540 30 20 BHED CON=C(C)Cc1ccc(-c2ccccc2)cc1 767493158 XPLBUBBKNSHJSI-UHFFFAOYSA-N 239.318 3.918 30 20 BHED Cc1ccc(NN=C2CC3(CCC3)C2)cc1 772830084 HCTFDGSWOUQVGR-UHFFFAOYSA-N 214.312 3.727 30 20 BHED CCCCCC1=CCCC1=NNc1cncnc1 794979475 ILCLZOJCVVBBHO-UHFFFAOYSA-N 244.342 3.545 30 20 BHED C=C(C)COC(=O)Cc1ccc(CC(C)C)cc1 804931372 VYYUYABRGMVGHQ-UHFFFAOYSA-N 246.350 3.547 30 20 BHED C=C(CC)COC(=O)c1ccn(C(C)C)c1C 815315857 VQQQLYWSQQIXHE-UHFFFAOYSA-N 235.327 3.500 30 20 BHED N#CCCCCCC(=O)O[C@H](C1CCC1)C1CC1 836046768 HVWYBWQZYPRNTI-OAHLLOKOSA-N 249.354 3.582 30 20 BHED CC(CC(C)(C)C#N)=NOCc1ccccc1 853287137 QYBAPAYLZQENKJ-UHFFFAOYSA-N 230.311 3.519 30 20 BHED C=C(CC)CNC(=O)c1ccccc1C(C)C 854886480 DVVJGDMKKGVJCY-UHFFFAOYSA-N 231.339 3.506 30 20 BHED CCCC[C@H](C(=O)O[C@@H](CC)CC#N)C(C)C 857022334 MCKONVNVXWBJAS-STQMWFEESA-N 239.359 3.684 30 20 BHED C=C(Cl)CN1CCC[C@@H]1/C=C\c1ccccc1 1198270481 LKHPUVFBKJRQOO-FJVVXJACSA-N 247.769 3.917 30 20 BHED C=CCC(C)(C)c1nnc(-c2ccccc2)o1 1253039602 AZWYGKMTHOPFCM-UHFFFAOYSA-N 228.295 3.590 30 20 BHED C=C(Cl)CS[C@@H]1CCOc2ccccc21 1307316596 QYELTZSPJRUIMX-GFCCVEGCSA-N 240.755 3.996 30 20 BHED Cc1ccc(CNc2cccc(C#N)c2)c(C)c1 19921881 LROHGLPDUHFFMG-UHFFFAOYSA-N 236.318 3.787 30 20 BHED CCCC1CCN(Cc2ccccc2C#N)CC1 50893746 KNHIYMQSUAUKSM-UHFFFAOYSA-N 242.366 3.570 30 20 BHED CC[C@H](C#N)SCCCc1ccccc1 127728318 HBJFSAHXKZGTNE-CYBMUJFWSA-N 219.353 3.655 30 20 BHED C[C@@H](Nc1ccc(C#N)c(Cl)c1)C1CCC1 135515586 BPUGNQMAIPYHDC-SECBINFHSA-N 234.730 3.812 30 20 BHED CCCC[C@H](C)Nc1ccccc1O[C@H](C)C#N 162265319 UVBPVYHMEUHEMV-QWHCGFSZSA-N 246.354 3.968 30 20 BHED C=CCC(CC=C)c1nc(C2CCCC2)no1 176973415 MZEDKDQWDZWRNP-UHFFFAOYSA-N 232.327 3.963 30 20 BHED C=CCCCCCn1ccc2ccccc2c1=O 195388890 LTFQWZNVSSWYNH-UHFFFAOYSA-N 241.334 3.748 30 20 BHED C=CCSCCN[C@H](CC)Cc1ccccc1 221937079 SFCMIMXUTKFRRR-OAHLLOKOSA-N 249.423 3.517 30 20 BHED N#C[C@@H]1CC[C@@H](Sc2ccc(F)cc2)C1 278660432 XANNBWZKHWBJMO-BXKDBHETSA-N 221.300 3.610 30 20 BHED N#C[C@@H]1CC[C@H](Sc2ccc(F)cc2)C1 278660442 XANNBWZKHWBJMO-SKDRFNHKSA-N 221.300 3.610 30 20 BHED C=CC(C)(C)C(=O)N(CC)Cc1ccccc1C 294308610 JGUGTECPJFWRAS-UHFFFAOYSA-N 245.366 3.556 30 20 BHED C=C(Cl)CSCc1ccc(Cl)cn1 308383795 SHNQBQSFWGCTDA-UHFFFAOYSA-N 234.151 3.721 30 20 BHED N#Cc1cnccc1/C=C\c1cc2ccccc2o1 349102443 AIWULEWVUIGDBH-WAYWQWQTSA-N 246.269 3.870 30 20 BHED C=C(CC)CSCCC(=O)Nc1ccccc1 358639091 YEJOBCFALLANGH-UHFFFAOYSA-N 249.379 3.715 30 20 BHED C=C(C)CNc1ccc(OC(C)C)cc1F 381283788 YZFVONKXHTWLCZ-UHFFFAOYSA-N 223.291 3.601 30 20 BHED C=CCCCCN[C@H](C)c1ccc(CC)o1 381649334 CTTPAHXROAVJDU-GFCCVEGCSA-N 221.344 3.849 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1cccc([N+](=O)[O-])c1 393782916 QYRVJYZLSYARPS-WCQYABFASA-N 248.326 3.600 30 20 BHED CC(C)[C@H]1CCCC[C@H]1NCC(C)(C)CC#N 414167859 PXJFSCRZSHNSPV-ZIAGYGMSSA-N 236.403 3.731 30 20 BHED CC[C@H](F)CN[C@@H](CCCC#N)c1ccccc1 433024466 CXSSZXJJGGJXCI-GJZGRUSLSA-N 248.345 3.759 30 20 BHED CC(C)(C#N)CCCSCCC1CC1 437940367 FLYWOGQGEZKFDX-UHFFFAOYSA-N 211.374 3.850 30 20 BHED CC(C)=CCC[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 449443043 OWEFRZZXVPWFHS-ZNMIVQPWSA-N 234.387 3.793 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[C@@H](C)CC1 468093007 BBBGLDNDOKWUQU-UMVBOHGHSA-N 237.387 3.674 30 20 BHED C=CC[C@@H]1N(C(=O)[C@H](C)CC)CCCC1(C)C 470298189 RHMHOMCWKKJAFX-OLZOCXBDSA-N 237.387 3.626 30 20 BHED C=CCN(Cc1cccc(SCC)c1)C1CC1 473128172 NKYLDXJQLBDLRK-UHFFFAOYSA-N 247.407 3.949 30 20 BHED C=CC1CCN([C@H](C)c2ccccc2)CC1 522082292 NHBVNOWIOYWIAU-CYBMUJFWSA-N 215.340 3.646 30 20 BHED CC(C)CCC[C@H](C)NC[C@H](C)CCC#N 602504452 QEUZKMYUURSXPR-KGLIPLIRSA-N 224.392 3.731 30 20 BHED C=CCCOc1ccc(Cl)c2cccnc12 606755062 UTYJHBUHICALDW-UHFFFAOYSA-N 233.698 3.843 30 20 BHED C=CCCCSCc1ccc(C)cn1 611469782 PTADSNALPQURHQ-UHFFFAOYSA-N 207.342 3.589 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccc(C)nc1C 684963431 GSEANPFWCIKKBF-KBPBESRZSA-N 232.371 3.704 30 20 BHED C#C[C@@H](NCc1coc2ccccc12)C(C)(C)C 702244077 GFXRNGSLRACCKJ-OAHLLOKOSA-N 241.334 3.570 30 20 BHED C=C(C)CCOC(=O)/C=C(/C)c1ccccc1 744303701 QRRUJNKINXXKEL-QBFSEMIESA-N 230.307 3.599 30 20 BHED N#Cc1cccc(SCCc2cccs2)c1 759054896 GTCQNFZQEIGGMD-UHFFFAOYSA-N 245.372 3.955 30 20 BHED C#CCCCN[C@@H]1CCCc2ccc(Cl)cc21 762475175 JKBGDYDKEINVJI-OAHLLOKOSA-N 247.769 3.720 30 20 BHED C[C@H]1CCC[C@@H](C=Nn2cnc3ccccc32)C1 768354165 FUBAHYCMJBKFFT-QWHCGFSZSA-N 241.338 3.697 30 20 BHED CCC#C[C@@H](C)N[C@@H](CC)c1ccccc1OC 775082336 XAISXKRTEHNAJR-HIFRSBDPSA-N 245.366 3.538 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H](C)c1ccc(C)o1 775922914 FVTHNQFVJYZPJQ-AAEUAGOBSA-N 249.354 3.553 30 20 BHED C=CC[C@@H](C(=O)O[C@@H](C)CC)c1ccccc1 778429537 OWZOHUZRKKKSBD-GXTWGEPZSA-N 232.323 3.688 30 20 BHED CC(C[C@H](C)CC(C)C)=NNc1cc(C)ncn1 779775456 DIAMUMOUWCTUSH-LLVKDONJSA-N 248.374 3.645 30 20 BHED CC(C[C@@H](C)CC(C)C)=NO[C@H]1CCCCO1 779784536 QDWFJEHDJWWWOS-JSGCOSHPSA-N 241.375 3.978 30 20 BHED C[C@@H](C#N)Oc1ccccc1NC1CC(C)(C)C1 788594884 DAPZGZXZOFPHKO-NSHDSACASA-N 244.338 3.578 30 20 BHED N#CCOC(=O)C1(C2CCCCC2)CCCCC1 795746606 OPMVVRONKHWDQH-UHFFFAOYSA-N 249.354 3.584 30 20 BHED COCC[C@H]1CCCC1=NNc1ccc(C)cc1 799863901 FCYHFEVJCGRHSN-CYBMUJFWSA-N 246.354 3.600 30 20 BHED C=C(Cl)COC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 805783723 YQWKAQAVUOEJJF-QWRGUYRKSA-N 242.746 3.521 30 20 BHED CC[C@H]1CCC1=NNc1cc(C)cc(C)c1 807955386 VROKOPNUSXLBFA-LBPRGKRZSA-N 216.328 3.891 30 20 BHED CCC(C[C@H](C)CC)=NNC[C@@H]1CCSC1 811661805 TYRCBOFBTDOHPU-NEPJUHHUSA-N 242.432 3.531 30 20 BHED Clc1ccc2c(c1)CC(=NOCCC1CC1)C2 814245929 ODGTUFSNTRGZDD-UHFFFAOYSA-N 249.741 3.611 30 20 BHED CCCC(=NOC1CCCCC1)c1ccccn1 814910102 QKZSGLQYCCKIDV-UHFFFAOYSA-N 246.354 3.935 30 20 BHED C[C@H](C=NOC1CCC1)C1CCCCC1 814937223 YPRAIVNTAGNERW-LLVKDONJSA-N 209.333 3.758 30 20 BHED CC1(CNN=C2CC[C@H]2C2CCC2)CCCC1 814937518 JINHANACECFEKZ-ZDUSSCGKSA-N 234.387 3.722 30 20 BHED C=CC(C)(C)C(=O)O[C@@H]1CCc2ccc(F)cc21 835204960 NGSVFCBLWLGFMY-CYBMUJFWSA-N 248.297 3.568 30 20 BHED C=C(C)CON=C[C@H](CC)c1ccccc1 844619638 IHIMTYRLOBTPTJ-ZDUSSCGKSA-N 217.312 3.759 30 20 BHED C=C[C@H](OC(=O)CCCC#CC)c1ccccc1 851451096 CJPDVKPYXREKDM-HNNXBMFYSA-N 242.318 3.651 30 20 BHED CCC[C@H]1CCCC[C@@H]1OC(=O)CCCC#N 851453493 RNSLHCUVSAJKAQ-STQMWFEESA-N 237.343 3.582 30 20 BHED CC[C@H](NC[C@H]1C=CCC1)c1ccc(C#N)cc1 883246059 ZCQPXYKKESZCIK-HOCLYGCPSA-N 240.350 3.565 30 20 BHED C=C1CCC(C(=O)N2CCC[C@@H]2C(C)(C)C)CC1 888817424 SBQRBEOAQGTEPE-CQSZACIVSA-N 249.398 3.770 30 20 BHED C=CCC[C@@H](C)Nc1cccc([C@@H](C)C(=O)O)c1 901815186 JAKMORDEXANSRL-VXGBXAGGSA-N 247.338 3.641 30 20 BHED C=C(Cl)COc1ccc(OCCC)cc1 916609967 LOPDJHPUDVMZPW-UHFFFAOYSA-N 226.703 3.607 30 20 BHED CCC(=NOC(C)(C)C)c1ccc(C)cc1 1116405351 ZUAPJUIUEYJNMO-UHFFFAOYSA-N 219.328 3.924 30 20 BHED CC[C@H](N[C@@H](C)CCC#N)c1ccc(F)cc1 1325511401 BXJVKCUCNJCMPG-FZMZJTMJSA-N 234.318 3.559 30 20 BHED CC(C)(C)CCCN1CCc2c(C#N)cccc21 1654789318 LIHBAWLNOIZDJI-UHFFFAOYSA-N 242.366 3.747 30 20 BHED N#Cc1c[nH]c2c(OCc3ccccc3)cccc12 40565225 WAOJSSDVYZDEFM-UHFFFAOYSA-N 248.285 3.619 30 20 BHED C=CCOc1ccccc1CN[C@H](CC)C(C)C 42585922 ZEDCVLFNKCXKPX-OAHLLOKOSA-N 247.382 3.776 30 20 BHED CCc1ccc(Nc2snc(C)c2C#N)cc1 92912259 LTFPMDBZFUTCGC-UHFFFAOYSA-N 243.335 3.629 30 20 BHED CC[C@H](C)[C@@H](C)N(CCCCC#N)C1CC1 104967246 PXPLNMDKCABGLF-QWHCGFSZSA-N 222.376 3.579 30 20 BHED C=CC[C@@H](C)NCc1csc2ccccc12 116927148 UMMZBBAOWNEBBD-LLVKDONJSA-N 231.364 3.956 30 20 BHED C#CCCCCN[C@@H](C)c1ccc(Cl)s1 130414588 KKZFXELEIUDHPW-JTQLQIEISA-N 241.787 3.856 30 20 BHED C=CCC[C@H](C)Nc1ccc2c(c1)OCCCO2 130594346 FMJGFMXTLHINPA-LBPRGKRZSA-N 247.338 3.615 30 20 BHED C=CCC(CC=C)C(=O)Oc1ccccc1C 151116974 RPOHQOIGEGNGFR-UHFFFAOYSA-N 230.307 3.669 30 20 BHED C#CCCCC(=O)N(c1ccc(C)cc1)C(C)C 192248268 LBJCIZPARYXVCC-UHFFFAOYSA-N 243.350 3.540 30 20 BHED C=CCCCCCN(C)Cc1cccc(C#N)c1 218971855 NCUFJQFFYVXFOA-UHFFFAOYSA-N 242.366 3.736 30 20 BHED C=CCN(Cc1sccc1Cl)C1CC1 338566319 DYHSTQDSOBGBLQ-UHFFFAOYSA-N 227.760 3.552 30 20 BHED CCCCCCCCN1CCC(CC#N)CC1 397171300 FBNLMLSTISQMFC-UHFFFAOYSA-N 236.403 3.973 30 20 BHED C=CCC(CC=C)C(=O)N1[C@@H](C)CCC1(C)C 411091279 UJVUCIIRDZKFJX-LBPRGKRZSA-N 235.371 3.544 30 20 BHED CC(C)c1cc(SCCC#N)nc(C(C)C)n1 413473270 QXGQHHVHNLHHDW-UHFFFAOYSA-N 249.383 3.729 30 20 BHED CC(C)(C)[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@@H](C#N)C1 414306891 RPYNZENARVUSHQ-BARDWOONSA-N 248.414 3.873 30 20 BHED C=CCOCCS[C@H](C)c1ccccc1 419347982 AGRANQLZKKACMU-GFCCVEGCSA-N 222.353 3.683 30 20 BHED C=CC[C@@H](C)[C@@H](C)Nc1ccc2c(c1)CCN2 423213366 JWLSYVODLGOMJI-VXGBXAGGSA-N 230.355 3.667 30 20 BHED CCN(CCC1CC1)[C@H](C)c1cccc(C#N)c1 442902655 QVNNWXSWSFUOGG-CYBMUJFWSA-N 242.366 3.741 30 20 BHED CC1=CCC[C@H](C)[C@@H]1CN(CC#N)C1CCCC1 443662758 VTEPVOWBTHJRSK-GOEBONIOSA-N 246.398 3.747 30 20 BHED CC#CCCN(CC)Cc1ccccc1Cl 462329100 VBFWKJFQYAIBJX-UHFFFAOYSA-N 235.758 3.575 30 20 BHED CC(C)CCSc1ncc(C#N)cc1Cl 462936610 XYIWLFLAIQFPPY-UHFFFAOYSA-N 240.759 3.745 30 20 BHED CC#CCN1CCCC[C@H]1c1cccc(C)c1C 464778865 SNBJRGDFJJVHCL-KRWDZBQOSA-N 241.378 3.854 30 20 BHED C=CCC(CC=C)C(=O)N(C1CC1)[C@H](C)C(C)C 467814659 YZKRKXQYABZAPP-CYBMUJFWSA-N 249.398 3.790 30 20 BHED C=CCCC[C@@H](C)NC(=O)CC1=CCCCC1 538326632 SVGVVBLJQJRNCL-CYBMUJFWSA-N 235.371 3.738 30 20 BHED C=C(C)CN1[C@@H](C)Cc2cc(OC)ccc2[C@H]1C 542919807 MEPYFKBJNSAYKP-QWHCGFSZSA-N 245.366 3.579 30 20 BHED CCC[C@H](CC)Sc1snc(C)c1C#N 580237354 MDWGKNFZQLGQEF-VIFPVBQESA-N 240.397 3.994 30 20 BHED N#C[C@@H](CCc1ccccc1)SC1CCC1 601084221 YAOPVSOPHIAUKO-CQSZACIVSA-N 231.364 3.797 30 20 BHED C[C@@H](CCC#N)CN1CCC[C@H]1c1ccccc1 602434186 NQNYDSFIZFBKJM-HOCLYGCPSA-N 242.366 3.763 30 20 BHED CCc1ccccc1NC[C@@H](C)CCC#N 602495840 XTXUUOYEMTYPIP-LBPRGKRZSA-N 216.328 3.601 30 20 BHED C=CCC(C)(C)CNC(=O)C(C)(CC)CC 647121244 XBSLQWFFENVFTB-UHFFFAOYSA-N 225.376 3.531 30 20 BHED C=CCCCCN(CC)CCC(F)(F)F 649279176 FJRPHZANPKRYNO-UHFFFAOYSA-N 223.282 3.617 30 20 BHED Cc1ccc(C)c(NN=C2CCC[C@H]2C)c1 729143460 IJODYCOWUBQQGA-LLVKDONJSA-N 216.328 3.891 30 20 BHED CCC[C@H](C(=O)Oc1ccc(C#N)cc1)C(C)C 764144585 XNWOQVSJWZHHBE-AWEZNQCLSA-N 245.322 3.536 30 20 BHED CCCCCCC[S@@](=O)C(CC)CC 764557771 AFTADCHYXNVYJE-CQSZACIVSA-N 218.406 3.894 30 20 BHED C#CCCCN1CCC[C@H]1c1ccccc1C 766895451 MLXIKZITRCUFOJ-INIZCTEOSA-N 227.351 3.545 30 20 BHED C=CCCC(CC)=NNCCC(C)(C)C 782903699 YWZCGCOYSVEYKT-UHFFFAOYSA-N 210.365 3.744 30 20 BHED CCC(=NOCC(F)(F)F)c1cccc(F)c1 783522133 KWHYYNIFNKWETQ-UHFFFAOYSA-N 249.207 3.519 30 20 BHED CC1(C)CCC[C@@H](C=NNc2cccc(F)n2)C1 795007037 OSOWDLQXUACHCX-LLVKDONJSA-N 249.333 3.835 30 20 BHED C[C@@H]1CCC(=NNCC2CCCC2)[C@H](C)C1 808006068 OBVGJBPKLSTRHS-VXGBXAGGSA-N 222.376 3.578 30 20 BHED CCC(=NOCC1CC1)c1cc(F)ccc1F 814245355 YBHAAENVKQKNRP-UHFFFAOYSA-N 239.265 3.506 30 20 BHED CCC(=NOCCC1CC1)c1ccccc1 814246767 DIHXCKGHFCGWFN-UHFFFAOYSA-N 217.312 3.617 30 20 BHED CC(C)(C)CCNN=C1CCC[C@H]1C(C)(C)C#N 814901345 JXMOGLXGLFGWEQ-GFCCVEGCSA-N 249.402 3.718 30 20 BHED CCc1onc(C)c1/C=C1/CCCC(C)(C)C1=O 899363933 VXAFKXPGWQDAIU-LUAWRHEFSA-N 247.338 3.708 30 20 BHED CCCCCCC[S@](=O)Cc1ccsc1 899432977 KKTYKUHIOPHSNQ-HNNXBMFYSA-N 244.425 3.967 30 20 BHED CC(C)=C(C)C(=O)OCCCCC1(C#N)CCC1 909048561 DGPKPBRGHBYRMK-UHFFFAOYSA-N 249.354 3.750 30 20 BHED CCCCCCCCCC(=O)N(C)CC1CC1 917706767 OIXDXIILNYUUPL-UHFFFAOYSA-N 239.403 3.996 30 20 BHED CC[C@H](c1ccc(F)cc1)N1CCC[C@@H](C#N)C1 932156963 UMJJSZOFORJRGD-SWLSCSKDSA-N 246.329 3.512 30 20 BHED C=C[C@H](CC)CC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1334872958 OVTJVLPEPMNLMT-QLFBSQMISA-N 249.398 3.627 30 20 BHED C=C(C)CCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 1338403418 LENBHPVFWHBFLF-RDBSUJKOSA-N 235.371 3.522 30 20 BHED CC[C@H](CC#N)NCCC1C[C@H](C)C[C@@H](C)C1 1559893314 OGAORJSKXBRHLH-UMVBOHGHSA-N 236.403 3.731 30 20 BHED Cc1cc(OCc2ccccc2C)ccc1C#N 1652809875 LFUSWCWLCGVXLC-UHFFFAOYSA-N 237.302 3.754 30 20 BHED Cc1cc([C@@H](C)Nc2ccc(C#N)cc2)c(C)o1 20438300 HGAGHBBHIGNGOG-LLVKDONJSA-N 240.306 3.941 30 20 BHED CCc1ccccc1NC(=O)C(C#N)(CC)CC 44765042 ZWJIJIZWFKDURZ-UHFFFAOYSA-N 244.338 3.517 30 20 BHED Cc1ccc(Cl)c(Oc2ccnc(C#N)c2)c1 61815402 RZVJZDYUFVGAAJ-UHFFFAOYSA-N 244.681 3.707 30 20 BHED N#Cc1ccc(N2CCCc3ccccc3C2)cc1 62946022 SMLFOXLVBCWZJP-UHFFFAOYSA-N 248.329 3.511 30 20 BHED C=CCC[C@H](C)NCc1cccc(Cl)c1 96034250 ROFZWEGJZJFDPZ-NSHDSACASA-N 223.747 3.784 30 20 BHED CCCCCCCNCc1cc(C)ccc1O 106217313 ITSJSIRUHQIRJO-UHFFFAOYSA-N 235.371 3.761 30 20 BHED CCCCC[C@@H](C)Nc1nccc(C)c1C#N 135067655 LJADVMGFTIRXHR-GFCCVEGCSA-N 231.343 3.642 30 20 BHED C[C@@H]1CCC[C@@H](C)C1NCc1ccc(C#N)s1 176956493 GCOFMLMCSKHSLQ-GHMZBOCLSA-N 248.395 3.534 30 20 BHED C[C@H]1CC[C@H](NCCCCC#N)c2ccccc21 178647246 AHHADWXSXMVVQT-BBRMVZONSA-N 242.366 3.908 30 20 BHED Cc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1C 185721791 XKYSTTGNUPYMTC-ZIAGYGMSSA-N 228.339 3.798 30 20 BHED CC[C@@H](CC#N)NC[C@@H](c1ccccc1)C(C)C 233869851 ODAZOWUWPZMMCQ-JKSUJKDBSA-N 244.382 3.708 30 20 BHED C[C@H]1C[C@@H](C)CN([C@H](C)c2ccc(C#N)cc2)C1 246268509 AXGHDBGWHKLVRX-HZSPNIEDSA-N 242.366 3.597 30 20 BHED CC[C@H](OC(=O)CC(C)(C)C#N)c1ccccc1 278692476 FCRCPCSUHDWDOT-ZDUSSCGKSA-N 245.322 3.621 30 20 BHED C=CC[C@H](CC)NCc1ccc2ncccc2c1 281487355 VUAOFHQXINHEQY-HNNXBMFYSA-N 240.350 3.679 30 20 BHED C=CCC(C)(C)c1nc([C@H](C)SCC)no1 291956285 RKQBUPUKAHETTD-VIFPVBQESA-N 240.372 3.737 30 20 BHED C[C@@H](SCCCC#N)c1ccccc1F 299456480 WCHIOHIQXSNQEK-SNVBAGLBSA-N 223.316 3.924 30 20 BHED C#Cc1cccc(N(C)C/C=C/c2ccccc2)c1 303235360 ZWXJRQBQPWIQEI-XYOKQWHBSA-N 247.341 3.818 30 20 BHED C=C[C@@H](C)N[C@H](CC)c1cccc(Cl)c1O 310017287 LJOLSXQCODNBPA-BXKDBHETSA-N 239.746 3.661 30 20 BHED COc1ccc(C)cc1CSCC1(C#N)CC1 344477371 ZJJFNIUYTHQOPC-UHFFFAOYSA-N 247.363 3.541 30 20 BHED C=C(C)CCN[C@@H](CC)c1cc(F)ccc1F 351762445 YXDNHEIOXDDHHQ-AWEZNQCLSA-N 239.309 3.972 30 20 BHED C=CCCC1(C(=O)N[C@@H](C)c2cccs2)CC1 353514035 KCULWDPFSIZRLQ-NSHDSACASA-N 249.379 3.672 30 20 BHED C=CC[C@H](CC)NCc1ccc(F)cc1Cl 381333570 UVZXLRNEIALXHP-LBPRGKRZSA-N 241.737 3.923 30 20 BHED C=CC[C@@H](CC)NCc1ccc(SC)cc1 390584499 XVANLMSTXFFDLQ-CYBMUJFWSA-N 235.396 3.853 30 20 BHED C[C@H]1CC[C@@H](C)C[C@H]1NCc1ccc(C#N)s1 421348106 DYFKLGOAKKQRMG-UHIISALHSA-N 248.395 3.534 30 20 BHED C=C(C)C(C)(C)c1nc(-c2ccsc2)no1 424222831 NWSSXURNEVLLMN-UHFFFAOYSA-N 234.324 3.652 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc2[nH]c(C)cc2c1 448679188 BPNSUGGTAWTROM-UHFFFAOYSA-N 242.322 3.627 30 20 BHED C=CCCCC[C@@H](C)N[C@H]1CCOC(C)(C)C1 449217065 WSJRHRFZAWWMES-KGLIPLIRSA-N 239.403 3.669 30 20 BHED C=CC(C)(C)CNC(=O)[C@H](CC)c1ccccc1 452775761 ISLCONGLSBZPLF-CQSZACIVSA-N 245.366 3.509 30 20 BHED C=C(C)CN(CC)c1ccc2[nH]ccc2c1 472175252 SETVLMTYQWZZEX-UHFFFAOYSA-N 214.312 3.570 30 20 BHED CC(C)=CCSc1ccc(C#N)cc1F 567952723 WNDRDIKHUMVQJQ-UHFFFAOYSA-N 221.300 3.756 30 20 BHED C[C@@H](CCC#N)CN1CCC[C@H]1c1cccs1 602432037 HOJPCNUFKOSFOB-STQMWFEESA-N 248.395 3.825 30 20 BHED C[C@@H](CCC#N)CN[C@H](c1cccs1)C1CC1 602507609 OTNOBWGBTGQFKK-FZMZJTMJSA-N 248.395 3.729 30 20 BHED CC[C@H](C)n1ncc(NC[C@H](C)CCC#N)c1C 602629423 GLVHYMOPJWHXAY-NEPJUHHUSA-N 248.374 3.514 30 20 BHED CCCCCC[C@H](C)NN=C(C)c1ccncc1 743449791 BIQQBJKNPRKRQM-ZDUSSCGKSA-N 247.386 3.754 30 20 BHED Cc1cc(F)ccc1NN=C(C(C)C)C1CC1 750938858 PMWHOANCNPVORK-UHFFFAOYSA-N 234.318 3.968 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)COc1ccccc1 765435017 AEOXVQWMKULJAT-SOUVJXGZSA-N 247.382 3.644 30 20 BHED C#CCCCCC(=O)N[C@H]1CCCC[C@H]1CCC 773322472 ORTNKZFAWPCYGG-CABCVRRESA-N 249.398 3.655 30 20 BHED C=CCCCCCOC(=O)/C=C\c1ccco1 782024180 OFQPRHUYGNXBHN-KTKRTIGZSA-N 234.295 3.582 30 20 BHED C=CC[C@@H](NCCC(C)(C)C)c1ccncc1 783639075 ZMFLDIUDWAHUTG-CQSZACIVSA-N 232.371 3.725 30 20 BHED CC(=NNc1ncccc1C)c1ccc(C)cc1 790193516 GTNDYOFJENWVAN-UHFFFAOYSA-N 239.322 3.535 30 20 BHED Cc1cc(C(=O)/C=C\c2ccccc2Cl)no1 791434689 ZVZKKCQKDAMHQQ-SREVYHEPSA-N 247.681 3.533 30 20 BHED C=CCCCCC[C@H](C)N[C@@]1(C)CCCOC1 793529986 CONCIHGDKXBMKL-GJZGRUSLSA-N 239.403 3.670 30 20 BHED C#C[C@@H](CC)NC(=O)CC(C)(C)C1CCCCC1 793962202 NEPWFIFCAHEMOY-AWEZNQCLSA-N 249.398 3.511 30 20 BHED CSCCON=C(C)CCCC(C)C 794572017 JGRYJLUVGFRGSB-UHFFFAOYSA-N 217.378 3.568 30 20 BHED C=C(C)CCN(CCCC)Cc1ccccc1O 801595110 IFNGWCGBVNWMLU-UHFFFAOYSA-N 247.382 3.961 30 20 BHED C=C(CC)CN[C@H](C)c1c(C)cc(C)cc1O 834903032 NXJQGCCLTWJPNN-CYBMUJFWSA-N 233.355 3.626 30 20 BHED CC[C@H](C)CON=C1CCC(C)(C#N)CC1 834981423 ORCZMEIDSCJGTM-AMGKYWFPSA-N 222.332 3.509 30 20 BHED N#CCCSCc1nc(Cl)ccc1Cl 840211310 FRWNGNWWVZFJAS-UHFFFAOYSA-N 247.150 3.535 30 20 BHED C#CCCCSCc1cnc2ccccc2c1 842178201 NSNBCGJTRKMFKP-UHFFFAOYSA-N 241.359 3.881 30 20 BHED C=CCN(CC=C(Cl)Cl)C(C)(C)C 852554391 LIDZSZIZAABQMN-UHFFFAOYSA-N 222.159 3.592 30 20 BHED C#CCOCCS[C@@H](CC)c1ccccc1 853018752 RACZYLULGAAFHT-AWEZNQCLSA-N 234.364 3.521 30 20 BHED C1CC(=C2CCC(=NOC3CCOCC3)CC2)C1 853334445 FJVVBGPFADXYEI-UHFFFAOYSA-N 249.354 3.593 30 20 BHED CC(C)(CCC#N)CNc1nc(Cl)cs1 858546788 FMLKHQVSBBYVIH-UHFFFAOYSA-N 243.763 3.538 30 20 BHED Clc1cccc(C=NOCc2ccccc2)c1 916620924 NLSCRHCOJMPSBG-UHFFFAOYSA-N 245.709 3.891 30 20 BHED CCCCCCCCOC(=O)[C@@H]1C[C@H]1C 918493954 HXRYFNOROKKIIR-VXGBXAGGSA-N 212.333 3.546 30 20 BHED CC1=CCCN(CCCCC2(C#N)CCC2)C1 930305501 IZCGHMAMMREXOY-UHFFFAOYSA-N 232.371 3.503 30 20 BHED C#CCCCCN[C@@H](C)Cc1ccccc1Cl 1170261254 OXSVKEPZBUTEBF-ZDUSSCGKSA-N 249.785 3.664 30 20 BHED C[C@H]1CCCN(CCC2(C#N)CCCCC2)[C@H]1C 1473187873 UYECZDFJUHROHY-GJZGRUSLSA-N 248.414 3.971 30 20 BHED C[C@@H]1CCCC[C@@H]1Nc1ccc(CC#N)cc1 37071278 VPYVEJGSAKOPAR-DOMZBBRYSA-N 228.339 3.743 30 20 BHED CC(C)(C)[C@H](NCCCC#N)c1ccc(F)cc1 97079436 CBWDZYITAPWGNA-CQSZACIVSA-N 248.345 3.806 30 20 BHED C[C@H](N(C)c1ccc(F)cc1C#N)C(C)(C)C 111036460 FCWAPYOVYIAVAM-JTQLQIEISA-N 234.318 3.568 30 20 BHED C#CCCCCC(=O)NC[C@@H](CC)CCCC 119554904 WTOBEFDVXOATPN-AWEZNQCLSA-N 237.387 3.513 30 20 BHED CC#CCCN1CCC[C@@H]1c1ccccc1C 155134332 OUUMQVAEBANVBC-MRXNPFEDSA-N 227.351 3.545 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc2ccccc2c1O 168821005 UCKORSAJFUGFMD-RYUDHWBXSA-N 241.334 3.771 30 20 BHED C=CCCC(=O)Nc1cccc(C(F)F)c1 171451402 OGBWWYCASFHKDX-UHFFFAOYSA-N 225.238 3.529 30 20 BHED Cc1ccccc1SCCCSCC#N 174015198 NFZBXTYSLSVFCS-UHFFFAOYSA-N 237.393 3.734 30 20 BHED CC(C)N(CC#Cc1ccc(Cl)cc1)C1CC1 177016968 HBTGZPJXYXRLSW-UHFFFAOYSA-N 247.769 3.564 30 20 BHED CC#CCCCC(=O)N[C@H](CCC)CCCC 185777882 NDCYFCAHQPXNNP-CQSZACIVSA-N 237.387 3.655 30 20 BHED C=C(C)CN(CC)[C@@H](C)c1c(F)cccc1F 195732553 NFGJJCFDALTQFN-NSHDSACASA-N 239.309 3.924 30 20 BHED CC[C@@H]1CCCN1CCCCC(C)(C)C#N 233920788 KZIYKFXCRKJUJW-CYBMUJFWSA-N 222.376 3.581 30 20 BHED C=C(C)CN(CC)[C@@H](C)c1ccccc1 302749418 UUQILOLGJMIWPJ-ZDUSSCGKSA-N 203.329 3.646 30 20 BHED C=CCCCN[C@@H](C(C)(C)C)C(F)(F)F 309026167 AOQVMTJEYCNARR-VIFPVBQESA-N 223.282 3.519 30 20 BHED CC(C)N(CCC#N)C[C@H](C)C1CCCCC1 310483963 MIHPEUTYFSLKSR-AWEZNQCLSA-N 236.403 3.827 30 20 BHED Cc1ccccc1[C@H](C)N1CCC(CC#N)CC1 335978199 CABFRPWZKUBGSB-AWEZNQCLSA-N 242.366 3.682 30 20 BHED C=CCNc1c(F)cccc1SCC 336670197 YKZQSPBKZMYLIT-UHFFFAOYSA-N 211.305 3.536 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccc(F)cc1 381312145 ANDNSUQUNXIBAZ-FZMZJTMJSA-N 221.319 3.831 30 20 BHED N#C[C@H]1CCC[C@H](N[C@@H]2CCC[C@H](C3CC3)C2)C1 424342195 FKNRPNMEIFOVAZ-QCEMKRCNSA-N 246.398 3.627 30 20 BHED C=C(C)CNC(=O)[C@H](CC)CC1CCCCC1 428121508 XLXQABLEUUASMB-CQSZACIVSA-N 237.387 3.675 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cc(C)c(O)c(C)c1 443115331 YZRWHXOIJKPDBJ-HNNXBMFYSA-N 247.338 3.550 30 20 BHED C=C(CC)CN[C@@H]1CCC[C@H]1c1ccccc1 446001320 JQPVARLLNUEFAC-JKSUJKDBSA-N 229.367 3.879 30 20 BHED C=CC(C)(C)C(=O)N[C@H]1CCC[C@H](C(C)C)C1 448905419 APAFWVJIERTKGV-STQMWFEESA-N 237.387 3.530 30 20 BHED CC(C)CCC[C@@H](C)NCC(C)(C)CC#N 459737138 VUOHDPPAIONRQK-CYBMUJFWSA-N 224.392 3.731 30 20 BHED CCCCC[C@@H]1CCCN1c1ncccc1C#N 486906913 YKZZROZUYZBSRV-CQSZACIVSA-N 243.354 3.502 30 20 BHED CC(C)CCSCc1ccc(F)cc1C#N 488564600 DSJNTRUDRYNTNX-UHFFFAOYSA-N 237.343 3.977 30 20 BHED C=CCCCN(C)[C@@H](C)c1ccccc1F 533299409 KQUQXYFDUXOSKJ-LBPRGKRZSA-N 221.319 3.785 30 20 BHED C=CCCC[C@H](C)NC(=O)c1cc(C)cc(F)c1 537234933 DOTAZMVLTGCJBU-LBPRGKRZSA-N 249.329 3.609 30 20 BHED CSCc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 564523338 XZNXHYZNKRGKHZ-FZMZJTMJSA-N 246.379 3.654 30 20 BHED CC(C)N(CCC#N)Cc1ccsc1Cl 565491613 QBGCAYLDWGDJFB-UHFFFAOYSA-N 242.775 3.526 30 20 BHED Cc1c(CSC(C)C)cccc1NCCC#N 567702767 KGCVRXUOFNPSAU-UHFFFAOYSA-N 248.395 3.962 30 20 BHED C[C@H](CCN(C)CC(C)(C)C#N)c1ccccc1 573869550 OHMAYOKAOYULQR-CQSZACIVSA-N 244.382 3.662 30 20 BHED C=CCCCN(C)[C@H](CC)Cc1ccccc1 607751320 HGSBJFBREJINRA-MRXNPFEDSA-N 231.383 3.906 30 20 BHED CCCCCCC[C@@H](C)CNC(=O)N(C)CC 732922604 OFAXEARULSOGAP-CYBMUJFWSA-N 242.407 3.644 30 20 BHED CCCCCC[C@H](C)NN=C(C)c1ccco1 743450323 IGZLDRRGBOQMGW-LBPRGKRZSA-N 236.359 3.952 30 20 BHED CCC[C@H](C)C(CC)=NNC1CCCC1 748250923 FXHQNTWQSFNQGD-NSHDSACASA-N 210.365 3.721 30 20 BHED CCCCCCCOC(=O)C[C@H](C)SC 757411093 VWCYRSFWRINKPC-NSHDSACASA-N 232.389 3.642 30 20 BHED CC[C@@H]1CCCC1=NNc1cccc(OC)c1 758372773 AUYVGMGPWCBONI-LLVKDONJSA-N 232.327 3.673 30 20 BHED CCCC1CCC(=NOCC(F)F)CC1 758904781 WIEIJSLBFQONLI-UHFFFAOYSA-N 219.275 3.614 30 20 BHED C#CCC(C)(C)C(=O)Nc1ccc(C2CC2)cc1 767102506 KNZUDSQJVUQZAX-UHFFFAOYSA-N 241.334 3.552 30 20 BHED C#CCCCN[C@H]1C[C@@H](C(C)C)c2ccccc21 774211645 VDDNFOKSLRIARW-IRXDYDNUSA-N 241.378 3.874 30 20 BHED C[C@H](NN=Cc1sccc1Cl)C(C)(C)C 793114114 DKVYDCGIMBHHKU-QMMMGPOBSA-N 244.791 3.760 30 20 BHED C[C@H](NN=Cc1ccc(Cl)cc1)C(C)(C)C 793114636 MMPABFOUFWMUNP-JTQLQIEISA-N 238.762 3.698 30 20 BHED Clc1cccc(CC=NNc2ccccc2)c1 794857434 ZFJAZEYVMDKIIU-UHFFFAOYSA-N 244.725 3.980 30 20 BHED FC(F)(F)CON=C1CCCC12CCCC2 814880050 PFEKEHMIYQBITC-UHFFFAOYSA-N 235.249 3.666 30 20 BHED CC[C@H](C)NN=C1CC[C@@H](Cc2ccccc2)C1 814912803 AXYYNANADNDVCK-ZFWWWQNUSA-N 244.382 3.773 30 20 BHED C#CCC(C)(C)C(=O)N[C@@H](CCC)C1CCCC1 839456695 LTFSKTFXUYAQPD-AWEZNQCLSA-N 249.398 3.511 30 20 BHED C=CC[C@@H]1CCCC[C@H]1OC(=O)/C=C\SC 851141864 DZBZUWOGCFIDGS-MNQYACPRSA-N 240.368 3.541 30 20 BHED Cc1ccc([C@@H](C)C=NO[C@H]2CCCCO2)cc1 863103922 ODUDFBBBPFTQHA-ZFWWWQNUSA-N 247.338 3.628 30 20 BHED C=C(C)c1nc(NC(=O)OC(C)(C)C)cs1 863714418 WLHMJJSCLYPVKK-UHFFFAOYSA-N 240.328 3.523 30 20 BHED CC(C)(C#N)CCSCCCC1CC1 865281851 BHEGNFQUOPNRMH-UHFFFAOYSA-N 211.374 3.850 30 20 BHED C=C1CC(c2noc([C@H](F)c3ccccc3)n2)C1 896883878 MOCFVXQIGUHYIS-GFCCVEGCSA-N 244.269 3.562 30 20 BHED CCCCC(C)=NNc1ncccc1Cl 917549345 MIODLNZSKYPYGZ-UHFFFAOYSA-N 225.723 3.713 30 20 BHED CC(C)C[C@@H](C)CN(CCC#N)CC(C)(C)C 1307485096 CNGZGYRMZYBSPJ-CQSZACIVSA-N 238.419 3.930 30 20 BHED C=C(CC(C)C)C(=O)Nc1cccc(C)c1C 1527373134 KBZCNQLZCRXAGI-UHFFFAOYSA-N 231.339 3.844 30 20 BHED C=CCOc1cccc(NC(=O)[C@H](C)CCC)c1 56998446 LXIIIPMTDKWEAG-GFCCVEGCSA-N 247.338 3.626 30 20 BHED N#C[C@@H](Sc1ccccn1)C1CCCCC1 59340813 WIXRQINGVZIBLY-GFCCVEGCSA-N 232.352 3.646 30 20 BHED C=CCS[C@H](C)c1ncc(C(C)(C)C)o1 153863501 FKOLUVUUNMSJQU-SECBINFHSA-N 225.357 3.952 30 20 BHED C[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C[C@@H]1C 161621097 DJGWPFJDLJVLGV-QWRGUYRKSA-N 248.757 3.694 30 20 BHED C=C(C)CN[C@@H](c1ccccc1)C1CCC1 174847351 CGIALLJGSUNRTL-HNNXBMFYSA-N 215.340 3.694 30 20 BHED CSc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 185724114 MCIKVNWSMDRYGV-AAEUAGOBSA-N 246.379 3.903 30 20 BHED N#C[C@H]1CCC[C@H](NCCC2=CCCCC2)C1 185763406 QJENTWRLYOUGMI-GJZGRUSLSA-N 232.371 3.549 30 20 BHED CC#CCCCC(=O)O[C@H](C)c1cccc(F)c1 185927877 WMYDTYOZCZCAEN-GFCCVEGCSA-N 248.297 3.624 30 20 BHED C=CCCC(=O)N[C@@H](C)c1cc2ccccc2o1 190321701 XVDQOYGRKTTZBF-NSHDSACASA-N 243.306 3.576 30 20 BHED CCCCCCCC(=O)N[C@H](C)c1cccnc1 192564911 LLVYNSPTOSBVPR-CYBMUJFWSA-N 248.370 3.619 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1cccnc1Cl 281585610 LINNLNWMGTVITB-MNOVXSKESA-N 238.762 3.740 30 20 BHED C/C(=C\Cl)CS[C@@H](C)CCC#N 308064692 XXQSQTBCSLKXPX-ORZBULNSSA-N 203.738 3.554 30 20 BHED N#C[C@@H]1CC[C@H](Nc2cccc(C(F)F)c2)C1 334389710 RZZOWPNTDHWQHY-SKDRFNHKSA-N 236.265 3.728 30 20 BHED C=CC[C@H](CC)NCc1ncc(C(C)C)s1 336732921 JROXMFCLMIAIIL-NSHDSACASA-N 238.400 3.711 30 20 BHED N#CC1(CSCc2ccco2)CCCC1 405133054 OSLJVEGAXKFSPG-UHFFFAOYSA-N 221.325 3.597 30 20 BHED C=C(C)CN(CC)CCC1(C#N)CCCCC1 411152712 HNCNFIBEHXYOKK-UHFFFAOYSA-N 234.387 3.749 30 20 BHED C=CCC[C@@H](C)NCc1cnccc1C(C)(C)C 414239485 YVACOBMTXOKSIL-CYBMUJFWSA-N 246.398 3.823 30 20 BHED CC(C)(C#N)CCCCS[C@@H]1CCCOC1 436210652 OSBBQRSFLPDIIZ-GFCCVEGCSA-N 241.400 3.619 30 20 BHED C=C[C@H](C)N[C@H]1CC[C@@H](Cc2ccccc2)C1 438199484 LORLXOVACXKJQY-BPUTZDHNSA-N 229.367 3.562 30 20 BHED C=C(CC)CNC/C=C/c1ccc(F)cc1F 449732925 FJPAJZTUQAKXDF-SNAWJCMRSA-N 237.293 3.534 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@]1(CC)C(C)C 457282336 MYQFQKPLQMNNBT-GDBMZVCRSA-N 249.398 3.696 30 20 BHED C=CCCCCCN[C@H](CC)C1CCOCC1 488160501 JMKBYNOGIPUOGI-OAHLLOKOSA-N 239.403 3.528 30 20 BHED C=CCCCC(=O)N1CCCC[C@H]1[C@@H](C)CC 530885462 NPCKEOAUIWVUCI-KBPBESRZSA-N 237.387 3.770 30 20 BHED C=CC1CCN(Cc2ccc(F)cc2C)CC1 536673337 BOAPEMUNBRYFDT-UHFFFAOYSA-N 233.330 3.532 30 20 BHED C=C(CC)CSc1cccc(C#N)c1 539113811 NOGCVQORJPRAIK-UHFFFAOYSA-N 203.310 3.617 30 20 BHED CCCCC[C@@H]1CCCN1c1cc(C#N)ccn1 557624865 GFYUAFSFSWPQGE-CQSZACIVSA-N 243.354 3.502 30 20 BHED C=CC[C@@H](C)NC(=O)C[C@H](C)CCC=C(C)C 567938624 BVSWASXNVLOTNI-ZIAGYGMSSA-N 237.387 3.840 30 20 BHED CCCC[C@@H](C)C(=O)Nc1ccccc1CC#N 580122109 NAUFXQGJUXYFIH-GFCCVEGCSA-N 244.338 3.517 30 20 BHED C[C@@H](CCC#N)CN(C)[C@@H](C)C1CCCCC1 602635716 BLCJDNCVILXMPW-KBPBESRZSA-N 236.403 3.827 30 20 BHED C=CCN(CCCC)Cc1ccccc1F 615463703 JIHGGMSRHFKHIJ-UHFFFAOYSA-N 221.319 3.614 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1NCC1(C(F)F)CC1 657997288 AUNNBVPGDYAVAA-NEPJUHHUSA-N 243.341 3.756 30 20 BHED C=C(C)CCNc1cccc2c1OC(C)(C)C2 685199825 VILICPCVZIXCNJ-UHFFFAOYSA-N 231.339 3.778 30 20 BHED CCCCCCCN[C@H](C)c1ccc(F)cn1 705896573 PJHSUINTGUCFJG-GFCCVEGCSA-N 238.350 3.842 30 20 BHED CCC(CC)NN=C1CCCCCCC1 734364940 MMOOWLGNIAMKNX-UHFFFAOYSA-N 210.365 3.865 30 20 BHED C[C@@H]1CC(C)(C)CCC1=NNC1CCCC1 748251177 HPLFTRDWFUAORQ-LLVKDONJSA-N 222.376 3.721 30 20 BHED N#Cc1ccccc1SC/C(Cl)=C\Cl 763261870 IJFODFIZSFHGKV-WEVVVXLNSA-N 244.146 3.969 30 20 BHED C=C(C)CNC(=O)[C@H](CC)CCCCCC 779126191 SYBCKKXIUXTSEY-CYBMUJFWSA-N 225.376 3.675 30 20 BHED C#CCCCN1CCC[C@@H]1/C=C\c1ccccc1 780400208 SCYDZKHDFFORGV-MUSGIIIZSA-N 239.362 3.578 30 20 BHED CC(C)(C#N)CCCOC(=O)C[C@@H]1C=CCCC1 784832274 MAKACROZLVGPME-CYBMUJFWSA-N 249.354 3.606 30 20 BHED Cc1cc(C=NNC2CCCCC2)c(C)s1 786043203 KTVLWKVZWHNDHZ-UHFFFAOYSA-N 236.384 3.621 30 20 BHED Cc1cccnc1NN=C1C[C@@H](C)C[C@@H](C)C1 790185702 KYPFPNXMPBXJTO-PHIMTYICSA-N 231.343 3.614 30 20 BHED CC[C@@H](C)NN=C[C@H]1CCCC(C)(C)C1 790189891 RXLYYXXNVHZCFS-NEPJUHHUSA-N 210.365 3.577 30 20 BHED CC(C)CCCCCCN[C@H]1CC[C@H](C#N)C1 799716798 YDXCPPJNALVHDL-GJZGRUSLSA-N 236.403 3.875 30 20 BHED C=CCCCCCCCN[C@H](C)[C@H]1CCOC1 810243993 WPTBTQBYSAUGFD-CABCVRRESA-N 239.403 3.528 30 20 BHED C=CCCCCCCCNC(=O)C=C1CCC1 813256285 BMICHXWNNQPYET-UHFFFAOYSA-N 235.371 3.740 30 20 BHED C#C[C@@H](OC(=O)C(C)(C)C(=C)C)c1ccccc1 821391646 DBTVJUHQUBNIHQ-CQSZACIVSA-N 242.318 3.506 30 20 BHED C=C(C)CCNC(=S)Nc1c(C)cccc1C 840792641 MZVHQLDAUSWSLY-UHFFFAOYSA-N 248.395 3.556 30 20 BHED CCC(=NNc1ccc(Cl)nc1)[C@@H]1C[C@H]1C 841627733 BBBVSLQBJDAMPX-PSASIEDQSA-N 237.734 3.569 30 20 BHED C=C[C@H](C)OC(=O)[C@@H](C)c1ccc(Cl)cc1 845521920 GKDKCGGPFHUOCE-UWVGGRQHSA-N 238.714 3.561 30 20 BHED CC(C)(C#N)CCCCN1C[C@H]2CC=CC[C@H]2C1 879530219 PLILHXCKINEHAM-GASCZTMLSA-N 246.398 3.604 30 20 BHED CC(=NNc1cccc(Cl)c1)c1ccc[nH]1 916269576 ZIGZBTNEASYUGL-UHFFFAOYSA-N 233.702 3.504 30 20 BHED CC[C@@H]1CCCC1=NNc1ccccc1[N+](=O)[O-] 916661296 UPYRIPZZJSUHNT-SNVBAGLBSA-N 247.298 3.573 30 20 BHED C#CCCN[C@@H](C)c1ccc(Cl)cc1Cl 70159409 MBUCJBVFORZDIK-VIFPVBQESA-N 242.149 3.667 30 20 BHED C[C@@H](c1ccccc1)N(CCC#N)CC1CCC1 77372585 IPBXDMBPKHKBDK-AWEZNQCLSA-N 242.366 3.763 30 20 BHED CC(C)(C#N)CCCNc1ccc(F)c(F)c1 87597123 ZQRMWTSBYMKUKE-UHFFFAOYSA-N 238.281 3.707 30 20 BHED C#CCCCCN[C@@H](C)c1ccccc1OCC 90397265 MRODBZYWZZTVIE-AWEZNQCLSA-N 245.366 3.539 30 20 BHED C=C(C)CN[C@@H](C)c1ccc(C)c(C)c1 96034166 RGNUACTVXMUSMB-ZDUSSCGKSA-N 203.329 3.530 30 20 BHED CCN(CCCCC#N)[C@H](C)c1ccc(F)cc1 102397559 GMCPBPBQELPYBR-CYBMUJFWSA-N 248.345 3.902 30 20 BHED C=CCCc1nc(-c2ccccc2Cl)no1 113734598 FURUJQUUHLRJPC-UHFFFAOYSA-N 234.686 3.509 30 20 BHED C=CCC[C@H](C)N[C@@H](C)Cc1ccsc1 126775991 KMNPFCFADYBFLD-RYUDHWBXSA-N 223.385 3.623 30 20 BHED C=C[C@H](C)N[C@H](C)c1cc2c(s1)CCCC2 157240514 NPTNNBYSXRCIIR-WDEREUQCSA-N 235.396 3.852 30 20 BHED CSCCO/N=C(\C)c1cc2ccccc2o1 170763060 RFHPLRJOPCVYLP-GXDHUFHOSA-N 249.335 3.536 30 20 BHED C=CCCCC(=O)N(C)c1cccc(SC)c1 177800353 GBAFSAXQXDGXFW-UHFFFAOYSA-N 249.379 3.728 30 20 BHED CC#CCCCC(=O)N[C@H]1CCC(C)(C)C[C@H]1C 185773763 VZVZJSQPGXCCJC-KGLIPLIRSA-N 249.398 3.511 30 20 BHED CCCCN(CC)[C@H](C)c1cccc(C#N)c1 189756246 XGEISVYQHOVJRZ-CYBMUJFWSA-N 230.355 3.741 30 20 BHED C[C@H](SCCCC#N)c1cccc(F)c1 190919227 GAKIAQJUTFRRBU-JTQLQIEISA-N 223.316 3.924 30 20 BHED C=CC[C@@H](C)NC[C@@H](c1ccccc1)C(C)C 232731802 QJTKMLMOMWPKHF-GDBMZVCRSA-N 231.383 3.980 30 20 BHED C[C@H]1OCC[C@@H]1SCCCCC(C)(C)C#N 235624969 RXEVSPATGUVMLD-NEPJUHHUSA-N 241.400 3.617 30 20 BHED Cc1c(Cl)cncc1N[C@H]1CCC[C@H](C#N)C1 294664758 AEBNMNMRCRVHFK-QWRGUYRKSA-N 249.745 3.538 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCC(C)(C)c1ccccn1 294666544 AMVFBMKDKIIJLN-ZIAGYGMSSA-N 246.398 3.550 30 20 BHED C=CC[C@@H](CC)NCc1ccc(F)c(C)c1 309434713 GXRGAAWUKODVII-CYBMUJFWSA-N 221.319 3.578 30 20 BHED N#C[C@@H]1CCC[C@H](Nc2ccc3ccoc3c2)C1 336574414 IILRCWMPRNGEAV-YPMHNXCESA-N 240.306 3.927 30 20 BHED C=CCCCCN[C@H](C)c1ccsc1 379593165 BDPJUFVNIKHRHL-LLVKDONJSA-N 209.358 3.755 30 20 BHED C=CC(C)(C)CN[C@@H](C)CCCC(F)(F)F 384880799 UMMWCTSJUKMKAJ-JTQLQIEISA-N 237.309 3.909 30 20 BHED C=CCCC[C@H](C)NC1CCC(COC)CC1 449247235 FLORNCZJBFBWQA-NFOMZHRRSA-N 239.403 3.526 30 20 BHED C=CCCC[C@@H](C)NC1CCC(COC)CC1 449247236 FLORNCZJBFBWQA-WLYUNCDWSA-N 239.403 3.526 30 20 BHED C=C(C)C[C@H](C)C(=O)N[C@H](CC)C(C)(C)C 466416288 KMEXNRDNOAKMDZ-NWDGAFQWSA-N 225.376 3.530 30 20 BHED C=CCCCCCN1CCC[C@@H]1CSC 488169046 JAWLBNUVYYCODQ-CYBMUJFWSA-N 227.417 3.560 30 20 BHED C=C(C)CCN(C)[C@@H](C)c1cc(F)ccc1F 509312720 DYDXZNKVVVSAHM-NSHDSACASA-N 239.309 3.924 30 20 BHED C=CCCN1CC[C@@H](c2ccccc2)C[C@@H]1C 520433353 SCNDHBAEQXFCSV-GOEBONIOSA-N 229.367 3.831 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cccc2cc[nH]c12 525955089 POMOKSTWMYEWJD-OAHLLOKOSA-N 242.322 3.709 30 20 BHED C=C1CCN(C(=O)[C@H](C)CCC(C)(C)C)CC1 543523496 WHWXWVGPMKQJQK-CYBMUJFWSA-N 237.387 3.627 30 20 BHED CC(C)c1cccc(CN(C2CC2)[C@H](C)C#N)c1 595711324 YIGWNADUDHAFLW-CYBMUJFWSA-N 242.366 3.686 30 20 BHED C=CCCCN(CCC)Cc1ccc(C#N)cc1 609798366 XMFXKSPXGSOMHG-UHFFFAOYSA-N 242.366 3.736 30 20 BHED C#CCN(C(=O)CCCCCC)C1CCCCC1 688846916 AAQCTPRBHWYDJE-UHFFFAOYSA-N 249.398 3.751 30 20 BHED C[C@@H](COc1ccccc1C#N)C(C)(C)C 711179803 HSBCIEUBPQHHNW-NSHDSACASA-N 217.312 3.619 30 20 BHED CC(=NNC1CCCC1)c1cc(C)sc1C 727652392 OPDXZZKUOCKHPJ-UHFFFAOYSA-N 236.384 3.621 30 20 BHED C=C(Cl)CN1CCCCC[C@H]1c1ccco1 736945562 GORAFQJUBNIQSN-LBPRGKRZSA-N 239.746 3.949 30 20 BHED CCC(CC)NN=Cc1ccccc1C1CC1 751133638 QUEGVCVRWREDAF-UHFFFAOYSA-N 230.355 3.676 30 20 BHED Cc1cccc(F)c1NN=C/C=C/c1ccco1 769840408 JWWXJQJEZICUEB-GLNLCZHCSA-N 244.269 3.838 30 20 BHED C1CC(=NN[C@H]2C[C@H]3CC[C@H]2C3)C[C@H](C2CC2)C1 774595584 DRVJEDACFXCADA-AEIGPULVSA-N 246.398 3.721 30 20 BHED CC1(C=NNc2ccccc2Cl)CC1 782112484 DZYHJIWQHSGHOM-UHFFFAOYSA-N 208.692 3.538 30 20 BHED C[C@H]1CCC(=NNc2ccc(Cl)cc2)C1 814683473 BJADGXCKKRMDMY-VIFPVBQESA-N 222.719 3.928 30 20 BHED CCC(=NNc1ccccc1)[C@@H]1C[C@H]1C 841604080 LUFCLXUZOLJIRB-ZYHUDNBSSA-N 202.301 3.521 30 20 BHED CC(C)c1ccccc1CNCCCCC#N 848534605 SMDLTIQAQAUBKY-UHFFFAOYSA-N 230.355 3.593 30 20 BHED C[C@H](CCC#N)Sc1ncc(Cl)s1 849999915 BZXPBSNNAWVMRQ-ZCFIWIBFSA-N 232.761 3.581 30 20 BHED C=CCOCSc1nc(C(C)C)cs1 865372567 RAQOICDQEAMFSU-UHFFFAOYSA-N 229.370 3.519 30 20 BHED CC(C)(C)ON=Cc1cc(F)cc(Cl)c1 1255250566 PDWWZQGOZQIMOC-UHFFFAOYSA-N 229.682 3.628 30 20 BHED C=CCCC(C)(C)NC(=O)CC(C1CC1)C1CC1 1334578745 UVBCQFRIUMSZPW-UHFFFAOYSA-N 249.398 3.674 30 20 BHED C=C(Cl)CN1CCCc2c(C)ccc(F)c21 1644859412 YSCCCWDWDXMEMK-UHFFFAOYSA-N 239.721 3.639 30 20 BHED Cc1cc(C#N)cc(N[C@@H]2CC[C@H]2C2CCC2)c1 1664992703 XXELNNTXXBFTSE-JKSUJKDBSA-N 240.350 3.857 30 20 BHED C#Cc1cccc(NC(=O)CCC2CCCC2)c1 22877634 GIGFQIRXTOHGRA-UHFFFAOYSA-N 241.334 3.577 30 20 BHED C[C@@H](NC1CCCCCC1)c1cccc(C#N)c1 37218388 UERLYJUKUIVOHP-CYBMUJFWSA-N 242.366 3.932 30 20 BHED CC(C)c1nc(-c2cccc(C#N)c2)cs1 62938287 QPENLKPALUXPLE-UHFFFAOYSA-N 228.320 3.805 30 20 BHED C=C(Cl)CN[C@@H](C)C1CCCCCC1 88169167 LJVGIVIYCUCNPH-NSHDSACASA-N 215.768 3.687 30 20 BHED C=C[C@@H](C)NCc1cccc(Cl)c1Cl 130457870 IPPUNZKHIXSIKJ-MRVPVSSYSA-N 230.138 3.658 30 20 BHED C=CCC(CC=C)C(=O)N(C1CCCC1)C1CC1 130688661 RDFFAMSFPYAZJS-UHFFFAOYSA-N 247.382 3.688 30 20 BHED C#CCCCCN[C@@H]1CCCC[C@H]1C(C)C 130735934 VUPMQSLFTONLLP-LSDHHAIUSA-N 221.388 3.594 30 20 BHED C=CCC[C@H](C)N[C@H]1CCCC(C)(C)C1 132040445 CAKOMFQPDPWSDG-STQMWFEESA-N 209.377 3.900 30 20 BHED C=C[C@H](C)N[C@@H](CC)c1cccc(Cl)c1 157215460 FRKYIQBKMZKHQB-GWCFXTLKSA-N 223.747 3.955 30 20 BHED CC#CCS[C@@H](C)c1nc2ccccc2o1 166834025 UEALYPBUIRZWAV-JTQLQIEISA-N 231.320 3.645 30 20 BHED C=C(C)CCNCc1ccc(F)c(Cl)c1 168983749 DVUIFBOHMGCTCF-UHFFFAOYSA-N 227.710 3.535 30 20 BHED C[C@H](S)c1cc(Br)cs1 229861433 FQOHDQIJZIBQOQ-BYPYZUCNSA-N 223.160 3.501 30 20 BHED CC(C)(C#N)CCCCN1CCC[C@H]2CCC[C@@H]21 232531065 WAWRHHFFJVGOBW-CABCVRRESA-N 248.414 3.971 30 20 BHED C#C[C@@H](CC)NC(=O)C1CCC(CCCC)CC1 232920791 YXSOJVCVAOBEAI-NRXISQOPSA-N 249.398 3.511 30 20 BHED Cc1cccc(OCc2ccc(C#N)c(C)c2)c1 260862520 WJFGRKMDSZKBEC-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C=CCC[C@@H](NCc1occc1C)c1ccco1 293338569 GLBJHCNBKOOAMR-CYBMUJFWSA-N 245.322 3.978 30 20 BHED C=CC[C@H](CC)N[C@H]1CS[C@H](C(C)(C)C)C1 309413960 CGDBIRAJNZJTSN-XQQFMLRXSA-N 241.444 3.851 30 20 BHED C=CCC[C@H](CC)N[C@@H](C)Cc1ccco1 310042270 ZIMZRCWCSANLEY-STQMWFEESA-N 221.344 3.545 30 20 BHED CCc1ccc([C@H](C)NCC(C)(C)CCC#N)o1 348218231 RFHCNDHNULRKIA-LBPRGKRZSA-N 248.370 3.823 30 20 BHED C=C(C)CSCc1ccc(-n2ccnc2)cc1 357031580 DJITVYNDCQUMHG-UHFFFAOYSA-N 244.363 3.682 30 20 BHED CCCCCCCN[C@H](C)c1cncs1 380357937 XEYSRCNRHONHRZ-LLVKDONJSA-N 226.389 3.764 30 20 BHED C=CC[C@@H](CC)N[C@H]1CCc2ccccc21 393752533 SZPAICHDJWCBHG-HIFRSBDPSA-N 215.340 3.618 30 20 BHED CC[C@H](CS[C@H](C)c1ccc(C#N)cc1)OC 419416433 HDGBKGNELCOJLE-BXUZGUMPSA-N 249.379 3.777 30 20 BHED C=C[C@@H]1CCCCN1Cc1cccc2[nH]ccc12 426564908 JIUZSFOGDVHHHU-CQSZACIVSA-N 240.350 3.708 30 20 BHED C=CCCCCCN1CCC[C@@H](CSC)C1 429315521 ZUTHHKBITAAYJY-CQSZACIVSA-N 241.444 3.808 30 20 BHED C=CCC[C@H](CCC)N[C@@H]1C[C@@H](C)n2ccnc21 449573664 ROIULVKWVCFYLF-HZSPNIEDSA-N 247.386 3.613 30 20 BHED C=CCCCCCN(C)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 449915837 POMKWITWKBVWFP-QLFBSQMISA-N 249.398 3.627 30 20 BHED CCC[C@@H](C)[C@@H](CC)NCc1cccc(C#N)c1 480833057 YBIDZMYSQZJOFY-CZUORRHYSA-N 244.382 3.863 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C1C[C@@H](C)C[C@H](C)C1 488825931 OMSPGRAZDURVJS-KCQAQPDRSA-N 249.398 3.626 30 20 BHED C=CCN(C1CC1)[C@@H]1CCCc2ccccc21 503575775 JRYQHNBATVWDGV-MRXNPFEDSA-N 227.351 3.714 30 20 BHED C=CC[C@H](C)N[C@H]1CC[C@@H](Cc2ccccc2)C1 525869494 NRLPVDLTLDAXRN-XIRDDKMYSA-N 243.394 3.952 30 20 BHED C=CCC[C@H](Nc1cc(OC)ccc1F)C1CC1 538548705 QAMVCAFTFIXQOX-AWEZNQCLSA-N 249.329 3.991 30 20 BHED C=CCN(C)[C@H](C)c1c(C)cc(C)cc1C 547970894 OJJWARKNMXWGIK-CQSZACIVSA-N 217.356 3.791 30 20 BHED C#CC(C)(C)Cc1cccc(Br)c1 585142545 KLEGASLVRNGOLO-UHFFFAOYSA-N 237.140 3.651 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C(C)(C)C2CCC2)C1 617776779 AWGGVUOVMRQEKH-CYBMUJFWSA-N 249.398 3.627 30 20 BHED C=CCN(C(=O)[C@H]1CCC[C@@H]1CC)C(C)(C)C 622945715 PBGMJSDWXKKQDU-STQMWFEESA-N 237.387 3.626 30 20 BHED C=CCCCC[C@@H](C)NC[C@@H](C)c1ccncc1 648466285 JHIGKXVHORWOMI-HUUCEWRRSA-N 246.398 3.910 30 20 BHED C=C(C)CN(C)C(=O)CCCC[C@H](C)CC 680042495 UIZDJVPIAUCGPV-CYBMUJFWSA-N 225.376 3.627 30 20 BHED CCC(CC)NN=Cc1cc(F)cc(Cl)c1 776729120 IETKIBIJXTYTDL-UHFFFAOYSA-N 242.725 3.591 30 20 BHED CC[C@@H](C)CCC(=O)OCCCC(C)(C)C#N 803878426 VEPWGGLPVXATGB-GFCCVEGCSA-N 239.359 3.686 30 20 BHED Cc1cccc(C=NNc2ccccc2F)c1 812459301 WLFFHEBDXVVRLR-UHFFFAOYSA-N 228.270 3.580 30 20 BHED CC(C)[C@H]1CCCC1=NN[C@@H](C)c1ccncc1 819816043 FVQRYPBHSNWNJY-GXTWGEPZSA-N 245.370 3.544 30 20 BHED C#CCCCCCC=NOC[C@@H](C)CC 834980933 FIEWDAUEWMRVED-ZDUSSCGKSA-N 209.333 3.619 30 20 BHED CCCCC[C@@H](NC(=O)C#CC1CC1)C(C)(C)C 837422253 SGRRTRFQQHAEPC-CQSZACIVSA-N 249.398 3.511 30 20 BHED C=CCCCCOc1ccccc1NC(=O)OC 842033821 XXPBHOKKYWEVIH-UHFFFAOYSA-N 249.310 3.600 30 20 BHED C=C[C@@H](C)ON=C[C@@H](CC)c1ccccc1 844619514 ALIXGCGMEBNBLO-CHWSQXEVSA-N 217.312 3.757 30 20 BHED CCCCCCC[C@H](C)CNC(=O)C(C)C 917872347 IMWPNQVGCFFKNI-ZDUSSCGKSA-N 227.392 3.755 30 20 BHED CCCCCCCCCN(C)C(=O)NC1CC1 918318855 WMVBNZXNGXQMPG-UHFFFAOYSA-N 240.391 3.541 30 20 BHED Fc1cc(C=NNc2ccccc2)ccc1Cl 921252283 ASGSGKFMSRSVHQ-UHFFFAOYSA-N 248.688 3.925 30 20 BHED CCCC1CCN([C@H](C#N)c2ccccc2)CC1 1307508966 UPTBXUNTROFGQH-MRXNPFEDSA-N 242.366 3.763 30 20 BHED C=C(CC)C(=O)Nc1ccccc1C(C)(F)F 1349912718 PJGAJQHUYKYBIZ-UHFFFAOYSA-N 239.265 3.703 30 20 BHED CCC1(CC)CCCN([C@@H](C)CCC#N)CC1 1473386845 ZLIPMGLVUOESCH-AWEZNQCLSA-N 236.403 3.971 30 20 BHED CC(C)C[C@H]1CCCCN1C[C@H](C)CCC#N 1621155044 MLRIYSQZMKKYGN-HUUCEWRRSA-N 236.403 3.827 30 20 BHED CCCCC[C@@H](C)NCc1cccc(C#N)c1 35141482 DOONMKWCSIEDQQ-CYBMUJFWSA-N 230.355 3.617 30 20 BHED CC1(C)CCCN(Cc2ccc(C#N)cc2)CC1 87657807 FXEJGIITVQGNEX-UHFFFAOYSA-N 242.366 3.570 30 20 BHED CC(C)(C)CN(CCC#N)Cc1cccs1 93101136 YXTJXJINRUHARM-UHFFFAOYSA-N 236.384 3.510 30 20 BHED CCCCCCCCN[C@H]1CCO[C@@H](CC)C1 160841544 PJKULJNHLFTDMS-GJZGRUSLSA-N 241.419 3.894 30 20 BHED N#CCCCCSCc1cccc(F)c1F 161157276 HGRLGAQGCSDIFQ-UHFFFAOYSA-N 241.306 3.892 30 20 BHED C=CCCCCCN(C)Cc1ncc(C)s1 180506097 RLHDIMDBFDAVAE-UHFFFAOYSA-N 238.400 3.630 30 20 BHED CCN(Cc1ccc(C#N)c(F)c1)[C@H](C)C(C)C 191967248 MCIVZPWETRQSHO-GFCCVEGCSA-N 248.345 3.564 30 20 BHED C=C[C@](C)(CC)C(=O)NC[C@H](C)c1ccccc1 276087388 TWJQFJIKCKAKIH-XJKSGUPXSA-N 245.366 3.509 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccc2c(c1)COC2 281599011 MAUWLWVBKAVUND-WBMJQRKESA-N 245.366 3.722 30 20 BHED C[C@H]1C[C@@H](c2ccccc2)CN1[C@H](C)CCC#N 299401229 UXYMHJWNEIYEJN-IJEWVQPXSA-N 242.366 3.557 30 20 BHED C=CCCNc1ccc(Cl)cc1OCC 389907161 HJXKHPBFKYHWTH-UHFFFAOYSA-N 225.719 3.727 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)CSC(C)(C)C 389977203 GKHBVHRTJFQFHJ-NWDGAFQWSA-N 229.433 3.851 30 20 BHED C=C(Cl)CN[C@H](C)c1cc2ccccc2[nH]1 390507300 XTGKUILCPJIERY-SNVBAGLBSA-N 234.730 3.571 30 20 BHED CC#CCCCC(=O)N[C@H]1CCC[C@H]1C(C)(C)C 412808612 GXXABPDXWUHTBR-KGLIPLIRSA-N 249.398 3.511 30 20 BHED CCCCc1nc(CSCCC#N)cs1 413010640 HDINBYSUYOGRDS-UHFFFAOYSA-N 240.397 3.633 30 20 BHED N#CC1(CSCC2CCC(F)(F)CC2)CC1 419609199 WLIBCWWIEUVSOG-UHFFFAOYSA-N 245.338 3.849 30 20 BHED C=C(C)C(C)(C)C(=O)NCC(C)(C)C1CCC1 424867952 HUPXSEUKZVSXAZ-UHFFFAOYSA-N 237.387 3.531 30 20 BHED CC#CCCN(C)[C@H](c1ccc(F)cc1)C(C)C 434616629 IJOLCEQBDPENNV-INIZCTEOSA-N 247.357 3.868 30 20 BHED C[C@@H](CC1CCCCC1)N[C@@H]1CC[C@@H](C#N)C1 442861053 MCYNYCNKUQIKDM-NWANDNLSSA-N 234.387 3.627 30 20 BHED CC(C)(CCC#N)CN[C@H](C1CCCC1)C1CC1 453232908 RKCWKKMMDPLUJF-OAHLLOKOSA-N 248.414 3.875 30 20 BHED C=C(CC)CN1CCC[C@@H]1c1cccs1 537993008 FJSSRAKNCHYFTJ-GFCCVEGCSA-N 221.369 3.851 30 20 BHED CCCCN(CC1(C#N)CC1)C1CCCCC1 569946488 YWFXQNZPOTYWDY-UHFFFAOYSA-N 234.387 3.725 30 20 BHED C=C(C)CN(Cc1ccc(OC)cc1)C(C)(C)C 579034960 ZFAZOHUINRWACU-UHFFFAOYSA-N 247.382 3.872 30 20 BHED Cc1cnc(SCC(C)(C)CC#N)c(C)c1 594915808 BHIYHJBFQUWDKU-UHFFFAOYSA-N 234.368 3.730 30 20 BHED C=C(C)CN1CC[C@@H](c2ccccc2)[C@@H](C)C1 607752352 UAOOBIWCKVOFSA-GOEBONIOSA-N 229.367 3.688 30 20 BHED C=CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)C(C)(C)C 622944221 KGVWJUCRODNPNO-CHWSQXEVSA-N 237.387 3.626 30 20 BHED C=C[C@H]1CCCCN1Cc1cc2ccccc2[nH]1 684023614 ANZZMOCXPIGUEU-HNNXBMFYSA-N 240.350 3.708 30 20 BHED C[C@@H](CC(C)(C)C#N)NC[C@H](C)c1ccccc1 695779599 QLXZXLFDJZKTJR-KBPBESRZSA-N 244.382 3.708 30 20 BHED C#C[C@H](CC)NC(=O)C[C@H](C)CCCCCC 754374256 IWXIXVKTCKTZBZ-ZIAGYGMSSA-N 237.387 3.511 30 20 BHED C=CCCCOC(=O)C[C@H](C=C)c1ccccc1 758913395 JNPKEFWFDLTYDU-AWEZNQCLSA-N 244.334 3.856 30 20 BHED CCCC(CC)=NNc1ccccc1F 776185261 FNVUQKFPRZSQSU-UHFFFAOYSA-N 208.280 3.804 30 20 BHED CC(=NOCCC(F)(F)F)c1cccc(F)c1 777458663 DBFJQDQRXGKLHM-UHFFFAOYSA-N 249.207 3.519 30 20 BHED C#CCCCCCc1nc(C2CCCCC2)no1 779739770 CLFSTLZGSYWNRT-UHFFFAOYSA-N 246.354 3.853 30 20 BHED CC(C)O[C@H](C=NOC1CCC1)c1ccccc1 793055283 LBGOXGHZXCPUKA-OAHLLOKOSA-N 247.338 3.708 30 20 BHED C=CC[C@H](C)C(C)=NNc1cccc(Cl)n1 793174090 IDXONNKRCDNPQN-VIFPVBQESA-N 237.734 3.735 30 20 BHED C(CC1CCCCCC1)=NO[C@H]1CCCCO1 799111255 FOXCYRHUTXTRQY-AWEZNQCLSA-N 239.359 3.876 30 20 BHED FCCC[C@H]1CCCC1=NOC1CCCC1 800815319 TXEXGGQKAXBEQO-LLVKDONJSA-N 227.323 3.851 30 20 BHED CCCCCCCC(=O)Nc1ncc(C2CC2)[nH]1 807662778 PWARHRNLBAFZOI-UHFFFAOYSA-N 249.358 3.586 30 20 BHED Cc1cccc(NN=C2CS[C@@H](C(C)C)C2)c1 814687717 SCXSRLNDAHEFBN-CQSZACIVSA-N 248.395 3.924 30 20 BHED CCOc1ccc(NN=C2CC[C@H](C)C2)cc1 814983325 IYQKGQOECQZIPG-NSHDSACASA-N 232.327 3.673 30 20 BHED C=C(Cl)CN(C)[C@@H](C)c1ccc(F)c(F)c1 817819682 MCMWIDSQVXZXFL-VIFPVBQESA-N 245.700 3.710 30 20 BHED CC(C)[C@H]1CCCC1=NN[C@H](C)c1ccncc1 819816051 FVQRYPBHSNWNJY-TZMCWYRMSA-N 245.370 3.544 30 20 BHED C=CCCCC[C@H](C)Nc1cnn(C)c1C1CC1 824181792 VLVVULOWLGKCDQ-LBPRGKRZSA-N 247.386 3.844 30 20 BHED C[C@@H]1CCCCCC1=NOCCC(F)(F)F 844591598 OREHNRVAFHPMBF-SECBINFHSA-N 237.265 3.912 30 20 BHED C#CCC(C)(C)C(=O)Nc1ccc(Cl)c(C)c1 847242345 VSMLEKBEXCTZLT-UHFFFAOYSA-N 249.741 3.636 30 20 BHED C[C@H]1CCCCN1N=Cc1cc(Cl)cs1 853379919 NYXDWVJMEZZTNN-VIFPVBQESA-N 242.775 3.610 30 20 BHED CCCC(C)=NNc1ncccc1C(F)(F)F 915050250 IECJIMLIJNKFOG-UHFFFAOYSA-N 245.248 3.688 30 20 BHED C=C[C@H](CC)CC(=O)N(C)Cc1ccc(C)cc1 929303531 GQVZBZQGCYXJRW-CQSZACIVSA-N 245.366 3.556 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1ccccc1CC 929693380 OPIURIGPYIUJOI-LBPRGKRZSA-N 231.339 3.790 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1c(F)cccc1F 930360584 NJXRKVAUNGFBQL-VIFPVBQESA-N 239.265 3.506 30 20 BHED CCn1cc(C=NOC(C)(C)C)c2ccccc21 1319576327 DZSDZWPPNKOSBS-UHFFFAOYSA-N 244.338 3.810 30 20 BHED C=C(C)CCC(=O)N[C@H]1CCCc2sccc21 1337223753 SHTLUDLMSUICHR-LBPRGKRZSA-N 249.379 3.598 30 20 BHED CC[C@@H](C)CNc1cc(C#N)ccc1OC(C)C 1658087854 ZQEXJCSMQBWIDV-GFCCVEGCSA-N 246.354 3.803 30 20 BHED C[C@@H]1CC(Nc2cccc(F)c2C#N)C[C@@H](C)C1 84463707 YYKBRTAGAGPMCV-QWRGUYRKSA-N 246.329 3.934 30 20 BHED C[C@@H]1CCCC[C@H]1CNc1cccc(F)c1C#N 93396626 QROKCYUBZNAHSI-NEPJUHHUSA-N 246.329 3.936 30 20 BHED C#Cc1cccc(NCc2c(C)cccc2C)c1 96810929 VEMKMGFQOWLLPV-UHFFFAOYSA-N 235.330 3.897 30 20 BHED CCCCCCCNCc1ccncc1Cl 106224897 MFMWQSWXAOKSCC-UHFFFAOYSA-N 240.778 3.795 30 20 BHED C=CCC[C@@H](CC)N[C@H](C)CC(C)(C)OC 122039262 INQHGAPZPLTSGD-CHWSQXEVSA-N 227.392 3.524 30 20 BHED CC(C)CC[C@@H]1CCCN1CCCCC#N 135304902 UEYQVWPESQCBLN-AWEZNQCLSA-N 222.376 3.581 30 20 BHED C=C(CC)Cn1ccc2c([N+](=O)[O-])cccc21 163647981 CPOVVNDRHVCYOW-UHFFFAOYSA-N 230.267 3.516 30 20 BHED C=CCCCC(=O)Nc1ccccc1CCC 175266741 NINUSMZNEAABJV-UHFFFAOYSA-N 231.339 3.934 30 20 BHED CCC(CC)CNc1ccccc1O[C@@H](C)C#N 180838941 CZRKPNOGFRRNAU-LBPRGKRZSA-N 246.354 3.826 30 20 BHED C=CCCC[C@H](C)NC(=O)N(CC)CCCC 181404834 YGYSZGXBHMWTRH-ZDUSSCGKSA-N 240.391 3.563 30 20 BHED C=C(C)C[C@H](C)C(=O)Nc1ccc2cc[nH]c2c1 194867072 OXXVXCGKTYKOQG-NSHDSACASA-N 242.322 3.709 30 20 BHED C=CCN(Cc1cccs1)c1ccccc1 216348234 SYWPEVRXEUETFC-UHFFFAOYSA-N 229.348 3.941 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCCCc1cccc(C)n1 287287477 DCOYBHDMFYDDIW-UKRRQHHQSA-N 246.398 3.513 30 20 BHED Cc1cccc(CS[C@@H]2CC[C@@H](C#N)C2)c1 295235902 UFJXFNUSGODXCK-TZMCWYRMSA-N 231.364 3.921 30 20 BHED N#Cc1cc(Cl)ccc1N1CCC2(CCC2)C1 301662576 YFBZRXALFFNTCD-UHFFFAOYSA-N 246.741 3.592 30 20 BHED N#CC1(/N=C(/O)[C@@H]2CC23CCCC3)CCCCC1 328847103 XWPAVKIWWJEBOV-LBPRGKRZSA-N 246.354 3.750 30 20 BHED C=C1CCN(Cc2cccc(OC(C)C)c2)CC1 353329739 MTLKWUIPXTVZRV-UHFFFAOYSA-N 245.366 3.626 30 20 BHED C=CC[C@@H](CC)Nc1ccc(C(F)(F)F)cn1 393811034 VOBNEEKGPCLIGW-SNVBAGLBSA-N 244.260 3.867 30 20 BHED C=CCC1(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)CCCC1 416123941 YUTDBJCZXSWVDZ-BFHYXJOUSA-N 249.398 3.626 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccc(F)c(F)c1 424527519 PJBCRUFHNQHSMZ-UHFFFAOYSA-N 239.265 3.506 30 20 BHED CC[C@H](F)CN(CC)[C@H](C)c1ccc(C#N)cc1 440689385 BJKOHAPRMSPBHU-DOMZBBRYSA-N 248.345 3.689 30 20 BHED C[C@H]1CC[C@@H](N(C)CCCCC(C)(C)C#N)C1 444707891 QMHDJULYJQNVPY-UONOGXRCSA-N 236.403 3.827 30 20 BHED C=CCC[C@@H](C)NC[C@@H]1CSc2ccccc21 449362755 KQUVAHMPVGPEJZ-CHWSQXEVSA-N 247.407 3.820 30 20 BHED C=C[C@](C)(CC)C(=O)NCC1(CC)CCCC1 467962541 GBTHRWPONXZHIQ-CQSZACIVSA-N 237.387 3.675 30 20 BHED C=CCOCCCSC1CCCCC1 475966321 JHBGJQROSBTJSN-UHFFFAOYSA-N 214.374 3.645 30 20 BHED C=CCCC[C@H](C)Nc1nccc(C(F)F)n1 480113386 GQFFLPNAQXHRMF-VIFPVBQESA-N 241.285 3.571 30 20 BHED C=CCC[C@@H](C)NC1(Cc2ccccc2)CC1 480706765 FWEKKHWHMBNHGM-CQSZACIVSA-N 229.367 3.706 30 20 BHED N#Cc1cccnc1/C=C/c1ccc(Cl)s1 486101916 KOEIGTMGOOOQMI-HWKANZROSA-N 246.722 3.839 30 20 BHED C=C[C@H]1CCCCN1Cc1c(F)cccc1F 489421500 CMAXJWWCUDSIGO-NSHDSACASA-N 237.293 3.505 30 20 BHED CSc1ccc(CN(CCC#N)C(C)C)cc1 535076987 CCVUEVPHBOIQSG-UHFFFAOYSA-N 248.395 3.533 30 20 BHED C=CCNc1cc(-c2cncc(F)c2)ccc1C 554689103 VNUBWSLYXIOIKL-UHFFFAOYSA-N 242.297 3.794 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H]1c2ccccc2O[C@@H]1C 570486569 YCCOELXYUOMAKC-BCUIYNNISA-N 245.366 3.699 30 20 BHED CC[C@@H](COc1ccccc1C#N)CC(F)F 594879058 NIYCYCDUEJRYCE-SNVBAGLBSA-N 239.265 3.618 30 20 BHED Cc1cc(C#N)ccc1CNC1(CC(C)C)CC1 595831064 MFJFZCDLAGNSAY-UHFFFAOYSA-N 242.366 3.535 30 20 BHED C=C(C)CCSCc1cnn(C(C)(C)C)c1 596362394 ZVORBNIOGFRQPL-UHFFFAOYSA-N 238.400 3.838 30 20 BHED C=CCC1(NCCc2cccs2)CCCC1 700658252 PFLDBTRUOBBTEY-UHFFFAOYSA-N 235.396 3.769 30 20 BHED CC[C@@H](C)C(C)=NNc1ncnc2sccc12 725818114 DZJMLIVAJRFVJF-MRVPVSSYSA-N 248.355 3.525 30 20 BHED C[C@@H]1CCCC1=NNc1nc2ccccc2s1 729140299 ALUDBDYBGRYSFK-SECBINFHSA-N 245.351 3.884 30 20 BHED C=CCCCOC(=O)c1cc2ccccc2o1 735524693 VFINPBAFWMTITP-UHFFFAOYSA-N 230.263 3.556 30 20 BHED CC(=NO[C@H]1CCCCO1)c1cc(C)cc(C)c1 755822777 UOTFOFMWGMTAHF-HNNXBMFYSA-N 247.338 3.571 30 20 BHED CCCCCC[C@@H]1CCC[C@@H]1NC[C@@H](C)C#N 757906238 LOWURFBQXZKTSO-ZNMIVQPWSA-N 236.403 3.875 30 20 BHED Fc1ccccc1CCNN=CC1CCCCC1 764720470 AWQOECLGVSQKLM-UHFFFAOYSA-N 248.345 3.524 30 20 BHED CC1CCC(=NOCCC(F)(F)F)CC1 777456205 SQUSNDWDQBPHFR-UHFFFAOYSA-N 223.238 3.522 30 20 BHED C=C[C@@](C)(CC)C(=O)NCc1c(C)cccc1C 785597191 IWIXMIBQKPDKCI-INIZCTEOSA-N 245.366 3.522 30 20 BHED C[C@H](NN=C1CC[C@@H](C)[C@H](C)C1)C(C)(C)C 793117941 YFYQXCXMDRKVMV-UTUOFQBUSA-N 224.392 3.823 30 20 BHED C=CC[C@@H](CC)NC(=O)C1CCCCCCC1 798552845 BWJDPKHQEVMNOH-CQSZACIVSA-N 237.387 3.818 30 20 BHED CC(C)Oc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1 799720536 IYWNBNQKJBAPAR-GXTWGEPZSA-N 244.338 3.578 30 20 BHED C[C@H]1CC[C@H](C=NNc2cc(Cl)ccn2)C1 800816024 XQYGHPXSMNCCAR-UWVGGRQHSA-N 237.734 3.569 30 20 BHED CC(=NOCc1ccc(F)cc1)c1ccccc1 832665804 IZLOIGHZWOYCMS-UHFFFAOYSA-N 243.281 3.767 30 20 BHED CC(=NNc1ncccc1F)[C@@H]1CCCC[C@H]1C 834978104 VQZTYPWTVFOMPH-ZYHUDNBSSA-N 249.333 3.835 30 20 BHED CC(=NNc1ccc(C(C)C)cc1)[C@@H]1CCCO1 835017965 DKLZMOALBHSWLO-HNNXBMFYSA-N 246.354 3.777 30 20 BHED CC(C)(CC#N)CSc1ncc(Cl)s1 850002110 STAZMJBSABENKK-UHFFFAOYSA-N 246.788 3.828 30 20 BHED C=CCCN[C@H](C)c1cc(Cl)cc(C)c1O 850501485 DJUOKPKWOOLAGV-SNVBAGLBSA-N 239.746 3.581 30 20 BHED Cc1cccc(C)c1CN(C)C[C@H](C)CCC#N 897624421 JNKZEBHSCOSUJK-CYBMUJFWSA-N 244.382 3.675 30 20 BHED Cc1ccc(NN=CC2CCCCC2)cc1 916250689 UVABXDPVQQALPO-UHFFFAOYSA-N 216.328 3.973 30 20 BHED C=CCCCN[C@H](C)c1cc2ccccc2[nH]1 926323537 JKXDTYXXNNZYLT-GFCCVEGCSA-N 228.339 3.785 30 20 BHED CSc1ccccc1C(C)=NOC(C)C 1324848711 HAZATTCCAGFQLJ-UHFFFAOYSA-N 223.341 3.558 30 20 BHED C#CCNc1ccc(Oc2ccccc2)cc1 49136082 GTEYPUWWUWLURY-UHFFFAOYSA-N 223.275 3.524 30 20 BHED CCC(CC)(CC)NCc1cccc(C#N)c1 86642374 XWBNMCRLXZQRAF-UHFFFAOYSA-N 230.355 3.617 30 20 BHED CC(C)c1ccc(CCN(C)[C@@H](C)CC#N)cc1 121368240 BWCPKKKGSKSRJD-AWEZNQCLSA-N 244.382 3.586 30 20 BHED C=CCC[C@@H](C)Nc1ccccc1OCC 126894642 KSTHLIGAJUFVSZ-GFCCVEGCSA-N 219.328 3.852 30 20 BHED C#CCCNc1cc(Cl)cc(C(F)(F)F)c1 130932648 XJWHAYVMUJWHMW-UHFFFAOYSA-N 247.647 3.794 30 20 BHED Cc1ccccc1OCc1ccc(CC#N)cc1 140380475 PYNYDYGIEHZPLI-UHFFFAOYSA-N 237.302 3.640 30 20 BHED C=C[C@H](CC(=O)N(CC)C(C)C)c1ccccc1 157050581 DYOZINDMKMCWOH-CQSZACIVSA-N 245.366 3.603 30 20 BHED CCCCCCCCCN1CCC(C)(O)CC1 168702818 WIRYLRSQLCNNRV-UHFFFAOYSA-N 241.419 3.584 30 20 BHED C=CCCCC(=O)N(C)c1cccc(C)c1C 177585206 NOCZRVVGWPCCNK-UHFFFAOYSA-N 231.339 3.623 30 20 BHED CCC[C@@H]1CCCCN1Cc1cc(C#N)cs1 184232052 AGSMYBAUJKPJOY-CYBMUJFWSA-N 248.395 3.774 30 20 BHED CC(F)(F)CCSc1cccc(C#N)c1 216280073 PYKVMEMFJKIJMM-UHFFFAOYSA-N 227.279 3.696 30 20 BHED C=CCN(Cc1ccc(C#N)cc1)c1ccccc1 216468600 YAIMLJOXNATILW-UHFFFAOYSA-N 248.329 3.751 30 20 BHED C=CCOCCCSCCCCC 218876170 CFDISODUBKBLFJ-UHFFFAOYSA-N 202.363 3.503 30 20 BHED C[C@@H](CCc1ccco1)NCC(C)(C)CCC#N 229671834 HIPZMIISHVEZIN-ZDUSSCGKSA-N 248.370 3.520 30 20 BHED C=CCC(C)(C)C(=O)Nc1cc(F)ccc1F 298005746 ZLJPOLRYRMFQIR-UHFFFAOYSA-N 239.265 3.506 30 20 BHED C=CC[C@@H](CC)N[C@H]1CCCc2c(O)cccc21 340534993 CPJOMGUXUDNTHJ-DOMZBBRYSA-N 245.366 3.714 30 20 BHED CC(C)c1ccc([C@H](C)N[C@@H](C)CC#N)cc1 340616795 KSQDMOBRYZZHRE-STQMWFEESA-N 230.355 3.763 30 20 BHED C=CC[C@@H](C)N[C@@H](c1ccc(C)o1)C1CCC1 349506031 USVXNVIOAJOZNT-IAQYHMDHSA-N 233.355 3.983 30 20 BHED C=CCC(C)(C)CN[C@H](C(C)C)C1CC1 378848136 BMMXGKJHTFHGNB-CYBMUJFWSA-N 209.377 3.613 30 20 BHED C=C(C)CNc1ccc(OCC)c(Cl)c1 380327576 MSPZLXCJTOGFHZ-UHFFFAOYSA-N 225.719 3.727 30 20 BHED Cc1ccc(C)c([C@@H](C)NCC(C)(C)CC#N)c1 414169378 RQWOYDDGLXWCFR-CQSZACIVSA-N 244.382 3.894 30 20 BHED C=CCC[C@H](CCC)NC1CC(C)(F)C1 449376986 QODMUIBETGYTOO-HIFPTAJRSA-N 213.340 3.602 30 20 BHED CC[C@@H](C#N)SCC1(C)CCCCC1 451020828 NJXKBFZCENPTTG-NSHDSACASA-N 211.374 3.992 30 20 BHED CN(CC(C)(C)C)c1c(Cl)cccc1C#N 462807360 ASPHKQBULLYLHV-UHFFFAOYSA-N 236.746 3.694 30 20 BHED CC#CCSCc1cc(-c2ccccc2)no1 464084011 WNUIFFCFXWEGHI-UHFFFAOYSA-N 243.331 3.598 30 20 BHED C=CCC(CC=C)C(=O)NC[C@H]1CCC[C@H](C)C1 467346689 LJEAGMSXCVTGOW-KBPBESRZSA-N 249.398 3.697 30 20 BHED C=CCCN(C)C(=O)Nc1ccc(/C=C/C)cc1 497396493 ULMZFZCFESEHLE-FNORWQNLSA-N 244.338 3.760 30 20 BHED C=CCc1ccccc1OCc1cccc(C#N)c1 536111704 HBCBGTDXNDEHMZ-UHFFFAOYSA-N 249.313 3.866 30 20 BHED C[C@H]1CCN(CCCC(C)(C)C#N)CC1(C)C 546831562 PYVRNQIDPDHMFV-ZDUSSCGKSA-N 236.403 3.684 30 20 BHED C=C(C)CN(CC)Cc1ccc(SC)s1 555092737 RZOMKRCUJCIRGM-UHFFFAOYSA-N 241.425 3.868 30 20 BHED Cc1cc(C)c(CNC[C@H](C)CCC#N)c(C)c1 602524643 OFCXFQPYERKTFC-GFCCVEGCSA-N 244.382 3.641 30 20 BHED C=CC[C@H]1CCCN(C(=O)C[C@@H](C)CCC)C1 617785545 LFQLJIWOXWOJKC-KBPBESRZSA-N 237.387 3.627 30 20 BHED C=CCCCN1C[C@@H](C(F)(F)F)CC[C@@H]1C 679543409 CGQYRVWFTZMAHC-QWRGUYRKSA-N 235.293 3.615 30 20 BHED C=CCCCCNc1ccnc(C(C)(C)C)n1 681152653 PMVDANIEJWCWHK-UHFFFAOYSA-N 233.359 3.542 30 20 BHED C=CCCN(C)Cc1ccccc1C1CC1 682436394 LJQGGJOGTFXNFZ-UHFFFAOYSA-N 215.340 3.572 30 20 BHED CC[C@@H]1C[C@H]1COc1cc(Cl)ccc1C#N 723131972 SFOPHXQCQPWNJG-KOLCDFICSA-N 235.714 3.637 30 20 BHED CC[C@H](C)C(C)=NNc1cc(F)c(F)cc1F 734302630 IJKZOFYAAZEJSQ-ZETCQYMHSA-N 244.260 3.938 30 20 BHED C=CC[C@@H](C)NC(=O)CCCCCCCC 735068640 YFIDJERHUNJWGN-CYBMUJFWSA-N 225.376 3.818 30 20 BHED CC(=NN[C@H](C)c1ccccc1)c1ccsc1 749103731 ACHDGVPZZWWNRT-LLVKDONJSA-N 244.363 3.823 30 20 BHED CC1(C)CCCC1=NNc1ccc(F)cc1F 749853830 XGGVSCSETZICBD-UHFFFAOYSA-N 238.281 3.943 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cc(C)c(OC)cc1C 753671313 WUVWKEIWZZGDCU-CHWSQXEVSA-N 233.355 3.537 30 20 BHED CC(C)(C)CC=NNc1ncccc1Cl 755654807 LOZNAGSOTYZXIN-UHFFFAOYSA-N 225.723 3.569 30 20 BHED CC(C)(C)CC=NNc1ncnc2ccsc12 755798972 ULRPUXSJUYVTGX-UHFFFAOYSA-N 248.355 3.525 30 20 BHED C#CCCCSc1ccc(OCC)cc1 766289171 XOGHMJBGEYFXOL-UHFFFAOYSA-N 220.337 3.591 30 20 BHED CC[C@H]1C[C@H](C)CCC1=NNc1ccccn1 769568747 KLAFJBSOFPBLHJ-NEPJUHHUSA-N 231.343 3.696 30 20 BHED Cc1cccc(C)c1C=NNCC1(C)CCCC1 793084300 KDJWYZYNXKWRHT-UHFFFAOYSA-N 244.382 3.807 30 20 BHED C=CCCCCC[C@H](C)NC[C@]1(C)CCCO1 793537509 ZSQBRDGRSJRWQQ-GJZGRUSLSA-N 239.403 3.670 30 20 BHED C=C(Cl)COC(=O)[C@@H](F)CC1CCCCC1 796205802 KGCPSELILXMQDZ-NSHDSACASA-N 248.725 3.591 30 20 BHED Cc1cc(C(=O)/C=C\c2scnc2C)oc1C 799898189 WKKCYNOUDSJJAZ-PLNGDYQASA-N 247.319 3.557 30 20 BHED CCCCCCC[C@@H](C)CNc1nnc(C)o1 804368966 LASCUXFNVXGIIU-LLVKDONJSA-N 239.363 3.787 30 20 BHED C=CCCCCCCCNC(=O)C1=CCCC1 813257103 PUSBKCHQSCENOS-UHFFFAOYSA-N 235.371 3.740 30 20 BHED C=C(CC)COc1cc(F)c(Cl)cc1C=O 814783992 FCWSZYDTFVLTLY-UHFFFAOYSA-N 242.677 3.637 30 20 BHED C=CC(C)(C)C(=O)N[C@@H](C)CCCCCC 822350066 CRBUNKKJSKWPCH-LBPRGKRZSA-N 225.376 3.674 30 20 BHED Cc1ccc(NN=C2C[C@H](C)CC[C@H]2C)nc1 834954199 KPIXCSDISLIOJP-ZYHUDNBSSA-N 231.343 3.614 30 20 BHED CSCCON=C(C)[C@H]1CCCC[C@@H]1C 834975562 OPGXMZQOJGXECD-JQWIXIFHSA-N 229.389 3.568 30 20 BHED CCC(=NNc1cccc(Cl)n1)[C@@H]1C[C@H]1C 841642106 GLVDCURBGWXXBQ-RKDXNWHRSA-N 237.734 3.569 30 20 BHED CC(C)c1csc(SCC2(C#N)CC2)n1 845331153 ZPRFDQCUNFGYPV-UHFFFAOYSA-N 238.381 3.662 30 20 BHED C=C1CCC(C(=O)N2[C@H](C)CC[C@H]2CC)CC1 889845053 HMSGJGOFXFROTL-TZMCWYRMSA-N 235.371 3.522 30 20 BHED C=CC(C)(C)c1nc(-c2ccc(CC)cc2)no1 904577038 UDLPNDNILPGVDD-UHFFFAOYSA-N 242.322 3.763 30 20 BHED C=CC(C)(C)CNC(=O)C(CC)(CC)CC 1117776797 PPBDCCZPDRYOSG-UHFFFAOYSA-N 225.376 3.531 30 20 BHED C=C(CC(C)C)C(=O)N(C)Cc1ccccc1C 1123476619 UGKLTJAZKNMUJR-UHFFFAOYSA-N 245.366 3.556 30 20 BHED CCCC1CCN(Cc2ccc(C#N)s2)CC1 1232844117 QIKGLPRWCMRFOJ-UHFFFAOYSA-N 248.395 3.632 30 20 BHED CCCC1CCC(=NNCC(C)C)CC1 1254077060 QEODYAYDGBVDTB-UHFFFAOYSA-N 210.365 3.578 30 20 BHED C=CCCCCCOc1cnc(F)cc1Cl 1327855856 WSARLGXXQKHYOR-UHFFFAOYSA-N 243.709 3.999 30 20 BHED N#Cc1cccc(COc2cccc(Cl)c2)c1 19804908 DBGFRNMVSJZIIA-UHFFFAOYSA-N 243.693 3.791 30 20 BHED C[C@H]1CCC[C@H](N(C)Cc2ccccc2C#N)C1 42240525 QTWCCOHGJHPFOP-BBRMVZONSA-N 242.366 3.569 30 20 BHED CC[C@@H](NCCC(C)(C)C#N)C1CCCCC1 87591923 YHCYZOFMTFNCMM-CQSZACIVSA-N 236.403 3.875 30 20 BHED Cc1ccc(NCc2ccc(C#N)s2)cc1C 135683249 LQGRCTUFBWNBBQ-UHFFFAOYSA-N 242.347 3.849 30 20 BHED CCCCCCCC(=O)N[C@@H](CC)CSC 181163887 SPZSFYJITFXOMQ-LBPRGKRZSA-N 245.432 3.605 30 20 BHED CCSc1ccc([C@H](C)NCCCC#N)cc1 182135991 HLXSBOPWKADXMQ-LBPRGKRZSA-N 248.395 3.753 30 20 BHED C#CCCCCN[C@H](C)c1ccccc1SC 194930466 QUKJOAIEZQYJMR-CYBMUJFWSA-N 247.407 3.863 30 20 BHED CC(C)c1ccc([C@@H](C)N(C)C[C@@H](C)C#N)cc1 260084856 QGNBIOOPCWIUMR-UONOGXRCSA-N 244.382 3.962 30 20 BHED CC(C)(CC#N)CSc1ccccc1 260283302 RWBKFTRMFYFNTL-UHFFFAOYSA-N 205.326 3.719 30 20 BHED C=CCCC(=O)N1CCC[C@@H]1c1cccc(C)c1 263771158 FGEWHEONNWPAQW-OAHLLOKOSA-N 243.350 3.625 30 20 BHED C=CCCCSCc1nc(C(C)(C)C)no1 265447220 WCEWDYYZRZKRDT-UHFFFAOYSA-N 240.372 3.567 30 20 BHED C=CC[C@@H](C)N[C@H](c1ncc[nH]1)C1CCCCC1 285930300 CVOXUOUSTCCJCE-OCCSQVGLSA-N 247.386 3.585 30 20 BHED C#CCCCCN[C@@H](CC)[C@@H](C)CCC 309098103 FPNRNEXSNSTGKR-KBPBESRZSA-N 209.377 3.594 30 20 BHED CCC(CC)/N=C(/O)Nc1c(C)cc(C)nc1C 330624572 GJLTYRPMPUIBNT-UHFFFAOYSA-N 249.358 3.521 30 20 BHED C=CCNc1cc2sc(C)nc2cc1Cl 336740914 UVCYTXPNVGWXGL-UHFFFAOYSA-N 238.743 3.856 30 20 BHED C=C(C)CNC(=O)c1ccc(C2=CCCC2)cc1 355231316 QDGQVVCDEHYBLD-UHFFFAOYSA-N 241.334 3.560 30 20 BHED C=CC[C@@H](C)N[C@H](CC)c1cc(F)ccc1F 358048767 QHFRGBRWYOVGGD-QMTHXVAHSA-N 239.309 3.970 30 20 BHED C=CC(C)(C)CN[C@H](CC)c1ccccc1O 384993668 UDDPYDAYLINENG-CYBMUJFWSA-N 233.355 3.645 30 20 BHED C=CC[C@@H](CC)Nc1nccc(C(C)(C)C)n1 393743233 HCZGZLMCRNPFDI-LLVKDONJSA-N 233.359 3.541 30 20 BHED Cc1cccc(S[C@H]2CC[C@H](C#N)C2)c1 430093924 HVVKPWWMOFTIAR-AAEUAGOBSA-N 217.337 3.779 30 20 BHED C=C(C)CN(CC)Cc1ccc(C#N)cc1Cl 439443922 AXADDDSIJRXUAD-UHFFFAOYSA-N 248.757 3.610 30 20 BHED C=C(C)CN(C)Cc1ccc(C)cc1Cl 447311720 CPILLNXXEQEZQU-UHFFFAOYSA-N 223.747 3.656 30 20 BHED CC(C)CCCSCC1(C#N)CCC1 450903907 MOKLOXDXUAYHKJ-UHFFFAOYSA-N 211.374 3.850 30 20 BHED C=C(C)CCNC(=O)C[C@H](CC)CCCC 452717031 KJVHNRCHULRPBO-CYBMUJFWSA-N 225.376 3.675 30 20 BHED C=C(C)CCN[C@H](C1CCCC1)C1CC1 453316587 KJMQPNGRNZEFHI-CQSZACIVSA-N 207.361 3.511 30 20 BHED C[C@@H](CCc1ccccc1)NCC(C)(C)CC#N 459738203 XUKOHOMZKXYNSK-AWEZNQCLSA-N 244.382 3.537 30 20 BHED C=CCC(CC=C)C(=O)N1CCC(CC)(CC)C1 467316755 OHAXUUMLZNAELC-UHFFFAOYSA-N 249.398 3.794 30 20 BHED C=CCCCCCN(C)C(=O)C(C)(C)C(C)C 473846291 YHCZZXFZGCPNDW-UHFFFAOYSA-N 239.403 3.873 30 20 BHED C=CCN(CC[C@@H](C)F)CC1CCCCC1 509658858 QDMMYKCOVUCNGT-CYBMUJFWSA-N 227.367 3.803 30 20 BHED C=C(C)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 571003196 WJCGTZUTMQQGEG-PHIMTYICSA-N 235.293 3.615 30 20 BHED C=CCCCCSc1nnc(C2CC2)s1 574485731 DDTBPRVZJHMMDH-UHFFFAOYSA-N 240.397 3.864 30 20 BHED C=CCCN(CCc1ccccc1)CC(C)C 606897036 HUGDRUKDOMFPDW-UHFFFAOYSA-N 231.383 3.763 30 20 BHED C=CCC1(C(=O)Nc2csc(C)c2)CCC1 634423821 BNQBQKFFQQUTSM-UHFFFAOYSA-N 235.352 3.741 30 20 BHED C=CCN(Cc1c(C)cccc1C)C(C)C 738305096 PIILKMQYJXAGEI-UHFFFAOYSA-N 217.356 3.700 30 20 BHED CC(C)CON=C1CCC[C@H]1c1ccccc1 749625580 FOGSBBOCETYKRA-AWEZNQCLSA-N 231.339 3.983 30 20 BHED C#CCCc1noc([C@H]2CC[C@H](C(C)C)CC2)n1 762009333 PRRCIEJGRWNHFA-JOCQHMNTSA-N 246.354 3.565 30 20 BHED C#CCOc1ccc([C@H](C)NCCCCC)cc1 764524287 PUIBGRXBAHFOQJ-AWEZNQCLSA-N 245.366 3.539 30 20 BHED CCCCCC(=NOC)c1ccccc1 767490048 JHORCPTYSFLRED-UHFFFAOYSA-N 205.301 3.617 30 20 BHED C[C@@H]1C(=NNC2CCCCC2)CCC[C@H]1C 786042902 COISNNFUBUXMLM-NEPJUHHUSA-N 222.376 3.721 30 20 BHED CC[C@H]1CCCC(=NNc2cccc(F)n2)C1 795007730 NLEKEZDWYORKNV-JTQLQIEISA-N 235.306 3.589 30 20 BHED CC(=NNc1ccccc1)c1coc(C(C)C)n1 799464353 XITBVPMVHWGIPT-UHFFFAOYSA-N 243.310 3.634 30 20 BHED CC(C)C1CCC(=NOC/C=C/Cl)CC1 811669031 AYOAKQOTFUHLAI-VTXBSQGRSA-N 229.751 3.958 30 20 BHED C(CC[C@H]1C[C@H]2CC[C@H]1C2)=NOCC1CC1 814243924 UELXZRQDNLUQCR-RDBSUJKOSA-N 221.344 3.615 30 20 BHED C[C@H]1CCC(=NNc2cc(F)c(F)cc2F)C1 814849743 IEXXYIHPLQNMMZ-ZETCQYMHSA-N 242.244 3.692 30 20 BHED Cc1cc(SCOC2CCCC2)ccc1C#N 842633944 DFNBCNITNRJDRV-UHFFFAOYSA-N 247.363 3.876 30 20 BHED C=C1CC(c2noc([C@@H](C)c3cccs3)n2)C1 896885044 PNDBZOMKVUWMOS-VIFPVBQESA-N 246.335 3.717 30 20 BHED C=CCN(Cc1ncoc1C(C)C)C(C)(C)C 1118501917 OUDAMJULILYNFL-UHFFFAOYSA-N 236.359 3.585 30 20 BHED C[C@@H](CN1CCCC(C)(C)[C@@H]1C#N)C(C)(C)C 1194101437 LFVLEAKJAVIVFO-STQMWFEESA-N 236.403 3.683 30 20 BHED C=C(C)CCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 1280203735 ASIQGAKKUSAOEW-KBPBESRZSA-N 235.371 3.524 30 20 BHED C=CCCCCCN(C)C(=O)CCC(=C)C 1337093361 FWKCEHBMTBJHHG-UHFFFAOYSA-N 223.360 3.548 30 20 BHED C=C(Cl)CN1CC[C@H](c2ccc(CC)cc2)C1 1473510247 PLKMIVHFXLYCEZ-HNNXBMFYSA-N 249.785 3.791 30 20 BHED CC12CC(B3OC(C)(C)C(C)(C)O3)(C1)[C@H]2C1CC1 2090608781 ZOJQHZQBDCKQDN-QGLTVNCISA-N 248.175 3.659 30 20 BHED CCCC1CCN(Cc2cccc(C#N)c2)CC1 50893751 HGWDRJNNUPASTH-UHFFFAOYSA-N 242.366 3.570 30 20 BHED C=CCCNc1ccc(F)c(C(F)(F)F)c1 70591843 HROLKFNYGXETCI-UHFFFAOYSA-N 233.208 3.833 30 20 BHED C=C(C)CSCc1csc(CC)n1 121724437 FWOJWQXUEOANGT-UHFFFAOYSA-N 213.371 3.515 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cccc(C)c1C 129651244 YLLOTHOQSZIXPK-OCCSQVGLSA-N 217.356 3.919 30 20 BHED C=CCC[C@H](C)N[C@H](C)CCc1ccc(O)cc1 130574963 PJGDWIVBELGNRP-UONOGXRCSA-N 247.382 3.658 30 20 BHED Cc1ccc(CNCC(C)(C)CCC#N)c(C)c1 174280133 LVHXSARPDXYUQH-UHFFFAOYSA-N 244.382 3.723 30 20 BHED C=CCCCC(=O)Nc1cccc(CC)c1 175089167 NKLJVCYJMPLKBO-UHFFFAOYSA-N 217.312 3.544 30 20 BHED Cc1ccc([C@@H](C)NCC(C)(C)CCC#N)o1 229677681 YKINXLKWRHCGPF-GFCCVEGCSA-N 234.343 3.569 30 20 BHED CCN(CCCCC#N)[C@H]1CCCC[C@H]1C 249306911 DCTLLRKQFDRMRS-KGLIPLIRSA-N 222.376 3.581 30 20 BHED C=CCC[C@@H](NCCC(C)(F)F)c1ccco1 296634796 BOUCXWWFDLYORW-LLVKDONJSA-N 243.297 3.922 30 20 BHED C[C@H](CCC#N)N[C@H]1CCC[C@H]1c1ccccc1 298539376 MXSJPRNACBBWRZ-KBMXLJTQSA-N 242.366 3.605 30 20 BHED C=C(C)CN(CC)C(=O)CCCCCCC 302221413 KDUHNXCTPOMDOE-UHFFFAOYSA-N 225.376 3.772 30 20 BHED CCC[C@H]1CCCC[C@H]1NCCCCC#N 310012991 JKJZGARJKAZFGL-UONOGXRCSA-N 222.376 3.629 30 20 BHED CCCC[C@H](C)C(=O)Nc1cccc(CC#N)c1 313514563 KKMDCILARBEFFA-LBPRGKRZSA-N 244.338 3.517 30 20 BHED C=CCN(C(C)C)[C@H](C)c1ccccc1 428867498 LJFWSLBIYALVIS-CYBMUJFWSA-N 203.329 3.644 30 20 BHED C=CCCCC(=O)N[C@H](C)c1ccc(F)c(C)c1 434143962 VZOHNMIEBXVENW-GFCCVEGCSA-N 249.329 3.668 30 20 BHED C=CCN(CC=C)C[C@H](C)c1ccc(F)cc1 437578238 LHYIDGNGKKNVQZ-ZDUSSCGKSA-N 233.330 3.603 30 20 BHED C=CCC[C@@H](CCC)N[C@H](C)Cc1ccncc1 462115472 GSXQPFCOMRUAAE-GDBMZVCRSA-N 246.398 3.737 30 20 BHED N#Cc1ccc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 462912364 QSQAYGYYVFGKCS-OFQRWUPVSA-N 240.350 3.939 30 20 BHED C=CCCCCN[C@@H](C)Cc1ccccc1C 471588705 YSUNTXSRWWCCHJ-HNNXBMFYSA-N 231.383 3.872 30 20 BHED C=CCN(CCc1ccc(Cl)cc1)CC1CC1 522659324 OEFRRBMRYFGJIM-UHFFFAOYSA-N 249.785 3.781 30 20 BHED CC#CCCCc1nc([C@@H]2CCCC[C@@H]2C)no1 567458932 AVAJTNHJFAKDMQ-QWHCGFSZSA-N 246.354 3.709 30 20 BHED C=C(C)CN(CC)c1ccnc(C(F)(F)F)c1 569518501 NGPYCKHTTPLGRP-UHFFFAOYSA-N 244.260 3.503 30 20 BHED C=CCN(CC=C)C(=O)C[C@H](CC)CCCC 604937670 MQQQEERAFIPSRN-CQSZACIVSA-N 237.387 3.794 30 20 BHED C=CCC1(NCc2oc(CC)nc2C)CCCC1 661851559 XCHLHPLHJKWGKU-UHFFFAOYSA-N 248.370 3.524 30 20 BHED CCCCCC[C@H](C)NN=Cc1cccnc1C 743450834 RKOXKKULZLKCLQ-ZDUSSCGKSA-N 247.386 3.672 30 20 BHED CCCCCCCCNC(=O)[C@H]1C[C@H]1C1CC1 754855050 SVWKIZLYEYNYPW-KBPBESRZSA-N 237.387 3.509 30 20 BHED C=CCCC(C)=NNCc1cccc(Cl)c1 758125378 VYCMCQJLMYIGHN-UHFFFAOYSA-N 236.746 3.772 30 20 BHED CCCCCCCSCc1ccon1 764642529 XRHPVNPTTGGJQA-UHFFFAOYSA-N 213.346 3.878 30 20 BHED Oc1ccccc1C=Nc1cccc2cc[nH]c12 773905386 HQGGDJIXTSQZSY-UHFFFAOYSA-N 236.274 3.624 30 20 BHED CCCC(CC)=NNc1oc(C(C)C)nc1C#N 776180427 MUPZKEJXWNKFTK-UHFFFAOYSA-N 248.330 3.648 30 20 BHED C#CCCCCNC[C@H](C)CCc1ccccc1 776249961 ZZKMGDYJZKEUCZ-MRXNPFEDSA-N 243.394 3.648 30 20 BHED CC[C@H](C)NN=C(C)c1csc(Cl)c1 790183158 PHPFNAUQJOKFFG-ZETCQYMHSA-N 230.764 3.514 30 20 BHED CC(C)C(=NNc1cccc(Cl)n1)C1CC1 793175175 QAFKNRCWYYYQCR-UHFFFAOYSA-N 237.734 3.569 30 20 BHED CSCCON=CC[C@H](C)c1ccccc1 794573382 ZFMDYHIYCYERJM-LBPRGKRZSA-N 237.368 3.546 30 20 BHED CCOc1ccc(NN=Cc2ccccc2)cc1 814984552 QHSUZMPKKHVEAR-UHFFFAOYSA-N 240.306 3.531 30 20 BHED C#CCCCCCC(=O)N[C@@]1(C)CCCC[C@@H]1C 837255044 TUVRDZTVTIAFNN-HOCLYGCPSA-N 249.398 3.655 30 20 BHED C=CCN(CCC1(C#N)CCCCC1)C(C)C 839467386 STPILPQDOLTDBA-UHFFFAOYSA-N 234.387 3.747 30 20 BHED C#CCCCCCC(=O)N1[C@@H](C)CCC[C@H]1CC 856273045 KFFBPSCYZJGMEE-LSDHHAIUSA-N 249.398 3.750 30 20 BHED CCCCCCCNC(=O)C[C@H](C)C1CC1 862360219 XWVTUVKNTPWGGY-LBPRGKRZSA-N 225.376 3.509 30 20 BHED Cc1ccc2c(c1)C/C(=C/c1ccsc1)C2=O 921264467 UNHTYOBZMXBQLD-QPEQYQDCSA-N 240.327 3.879 30 20 BHED C=CC[C@H]1CCCN(Cc2cccn2C2CC2)C1 1118654119 HDSOWJVLTVZYTK-AWEZNQCLSA-N 244.382 3.611 30 20 BHED Cc1ccc(/C=C/c2cc(C#N)ccn2)cc1C 1324933728 PJZWXVDJPGNWGU-AATRIKPKSA-N 234.302 3.741 30 20 BHED C=CC[C@@H](c1ccccc1)c1nnc(C2CC2)o1 1325789171 IGVFJFZVUGTRHB-ZDUSSCGKSA-N 240.306 3.655 30 20 BHED C=CC1CCN([C@H]2CCc3c(F)cccc32)CC1 1330693433 BCNOAVBYKWTXHG-INIZCTEOSA-N 245.341 3.711 30 20 BHED CC[C@@H]1CCN(CCC2(C#N)CCCCC2)[C@H]1C 1459992817 UOMFTVHGNWJOQL-LSDHHAIUSA-N 248.414 3.971 30 20 BHED C=C(Cl)CN1CCCCCc2ccccc21 1644840313 JJLFXNUGKHQBDL-UHFFFAOYSA-N 235.758 3.972 30 20 BHED C[C@@H](Nc1ccc(F)cc1)c1ccc(C#N)cc1 19942100 YXVFGKFEGHPMKP-LLVKDONJSA-N 240.281 3.870 30 20 BHED CC[C@H](CC#N)NCc1ccc2ccccc2c1 54182159 SJOOBWPSUIKIPF-MRXNPFEDSA-N 238.334 3.622 30 20 BHED C=C(C)CN1CC[C@H]1c1ccc(Cl)cc1 81604405 MPPQWPBYOBCGTG-ZDUSSCGKSA-N 221.731 3.663 30 20 BHED CCc1ccccc1NCCC(C)(C)C#N 83637898 KDMSFDYURVXVLU-UHFFFAOYSA-N 216.328 3.601 30 20 BHED C[C@@H](CC1CC1)N[C@@H](CCC#N)c1ccccc1 90666043 MLMUNOIVFGSMAA-BBRMVZONSA-N 242.366 3.810 30 20 BHED C=CCC[C@@H](NCCc1cccs1)C1CC1 119850703 VJHPCRZFIXPFAR-CQSZACIVSA-N 235.396 3.625 30 20 BHED Cc1cc(F)ccc1NCc1ccc(C#N)s1 122425949 ZAWSAPWPILRXPD-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cccc(C)c1C 122956883 QDKZGBUXWAXKMY-AAEUAGOBSA-N 203.329 3.529 30 20 BHED C=CCC[C@@H](C)Nc1ccc(F)c(OC)c1 162873823 SIVHZHKTXPHVHG-SNVBAGLBSA-N 223.291 3.601 30 20 BHED Cc1cc(C#N)ccc1CN[C@H]1CCCC[C@H]1C 165178788 XVXRUPHKBQOMDR-WBMJQRKESA-N 242.366 3.535 30 20 BHED CC(C)N(Cc1ccc(C#N)cc1)CC1CCC1 173583936 MNLXRTKENHMUJG-UHFFFAOYSA-N 242.366 3.569 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cc(F)c(F)c(F)c1 180952992 KZKFRGRPOUZMGU-IUCAKERBSA-N 243.272 3.719 30 20 BHED CCCN(Cc1ccc(Cl)cc1C#N)C1CC1 186953529 PZQLRCYLESMBFS-UHFFFAOYSA-N 248.757 3.586 30 20 BHED C=CCC[C@H](NCCCOCC)c1ccccc1 341935336 ZCAOYDSQCXIYQT-INIZCTEOSA-N 247.382 3.710 30 20 BHED C=CCC(C)(C)CN[C@@H]1CCC[C@H]1C1CC1 378847917 BGUVVBBRNQBIEV-UONOGXRCSA-N 221.388 3.757 30 20 BHED C=CC[C@H](CC)Nc1cc(C(F)(F)F)ccn1 393810519 UPPYTJIZLDUKDP-JTQLQIEISA-N 244.260 3.867 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 425148787 PBKCGQLZKMUSCN-LZWOXQAQSA-N 249.398 3.674 30 20 BHED C[C@@H](SCC1(C#N)CC1)c1cccc(C#N)c1 443158317 YMPLXYRQVODTKG-LLVKDONJSA-N 242.347 3.656 30 20 BHED CCN(CC1(C#N)CCC1)c1cccc(C)c1 450518796 KGCUEDONSDCEJP-UHFFFAOYSA-N 228.339 3.515 30 20 BHED C=CCCN1[C@@H](C)C[C@H](CC(F)(F)F)[C@H]1C 451150243 VYITZBYNAPBIPR-HBNTYKKESA-N 235.293 3.614 30 20 BHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@H]1CC[C@@H](C#N)C1 471607773 YBWNRQQJOCSJFR-IBEHDNSVSA-N 248.414 3.729 30 20 BHED C=C(C)CN1CC[C@H](Cc2ccccc2)[C@H]1C 472328901 QQXSBNABVDOFNZ-GDBMZVCRSA-N 229.367 3.516 30 20 BHED C=CCCCCCN(C)C(=O)C[C@H]1C=CCCC1 488984344 PSDMMBSJVZBJEF-HNNXBMFYSA-N 249.398 3.938 30 20 BHED C=C(C)CCc1noc(-c2cccc(Cl)c2)n1 508642616 BJAFWJWSARFDKB-UHFFFAOYSA-N 248.713 3.899 30 20 BHED C=CCN(CCSC(C)C)Cc1ccccc1 513969906 GEVYQRYWYMQIJX-UHFFFAOYSA-N 249.423 3.816 30 20 BHED C=CCN1Cc2ccccc2[C@H](c2ccccc2)C1 519968694 WUWKPWMAOFMQDG-SFHVURJKSA-N 249.357 3.820 30 20 BHED C=CCCCN[C@H](C)c1cc(F)c(F)c(F)c1 557508070 JHHTYEQQUDXZBY-SECBINFHSA-N 243.272 3.721 30 20 BHED C=CC[C@H](C)[C@H](C)NCCC1(CSC)CC1 595065966 HXQCVYPHSUZTJU-STQMWFEESA-N 241.444 3.710 30 20 BHED CC(C)Oc1ccc(OCC2(CC#N)CC2)cc1 596258556 UGVBCIKKYVBIQC-UHFFFAOYSA-N 245.322 3.546 30 20 BHED C=CCC[C@H](C)N[C@@H](C)c1cccc(C#N)c1 611386597 PDYZSPOMNKQOSU-STQMWFEESA-N 228.339 3.564 30 20 BHED C#Cc1cccc(NC(=O)C[C@@H](C)CC(C)C)c1 727661927 FURGBWXUWNTOLO-ZDUSSCGKSA-N 243.350 3.679 30 20 BHED C=C(C)CN(Cc1ccccc1O)C1CCCC1 731846459 ZUTSIKZOZYOQDC-UHFFFAOYSA-N 245.366 3.713 30 20 BHED CCON=C1CCCCc2ccc(Cl)cc21 735227783 ZASAJPACFPARHL-UHFFFAOYSA-N 237.730 3.807 30 20 BHED C=CCCOC(=O)C(CC)(CC)c1ccccc1 744049560 UDXKQDSWADWBQI-UHFFFAOYSA-N 246.350 3.864 30 20 BHED CCCCCCCC(=O)Nc1cncc(C)c1 750850499 VLLUWJIFFKPXHF-UHFFFAOYSA-N 234.343 3.689 30 20 BHED CC[C@H](C)C=NNc1ccccc1Cl 755471842 MDGMRHNQWSLIEG-VIFPVBQESA-N 210.708 3.784 30 20 BHED C#CCCN(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 760840319 DSQBNCDLSSIWNO-IAGOWNOFSA-N 241.378 3.586 30 20 BHED CCON=Cc1sc2ccccc2c1Cl 767464907 UUMWAMPNJWCBQJ-UHFFFAOYSA-N 239.727 3.925 30 20 BHED C[C@H]1CCC(=NOCCC(F)(F)F)[C@H](C)C1 777462822 NJUDKQPRZFUERS-DTWKUNHWSA-N 237.265 3.768 30 20 BHED C=CCCCCCOC(=O)[C@H]1CCC(F)(F)C1 796375131 NXJXNTLZDILRKZ-NSHDSACASA-N 246.297 3.711 30 20 BHED COc1ccccc1CON=C1CCC12CCC2 799889314 YOGPXUCGNRXXSF-UHFFFAOYSA-N 245.322 3.532 30 20 BHED C=CCCCCCCNc1ccc(C(C)=O)cn1 804850729 ADOZYTHEVVJFNR-UHFFFAOYSA-N 246.354 3.833 30 20 BHED CC[C@H](C)C(C)=NNc1ccc([N+](=O)[O-])cc1C 807988158 BFIKQUDVCKVFMV-VIFPVBQESA-N 249.314 3.737 30 20 BHED C=CCCCCCCCN[C@@H](C)[C@H]1CCOC1 810243994 WPTBTQBYSAUGFD-GJZGRUSLSA-N 239.403 3.528 30 20 BHED C=CCCCCC[C@@H](C)N[C@H](CC)C(C)(C)O 815652292 WMDGMBAGBVUXBO-ZIAGYGMSSA-N 241.419 3.651 30 20 BHED C=C(C)CNc1ccccc1N1CCCCC1 896460285 QNCZGCSXVPQXTE-UHFFFAOYSA-N 230.355 3.665 30 20 BHED CCCCNN=C(C)c1ccc(F)cc1Cl 915969205 FUSMBFBQODZTFZ-UHFFFAOYSA-N 242.725 3.593 30 20 BHED C=C(CC)C(=O)Nc1ccc(C(F)F)cc1 1348417511 CPZLZZXVDBTPFC-UHFFFAOYSA-N 225.238 3.529 30 20 BHED C=C(C)CCC(=O)N1CCC[C@@H]1[C@H](C)CCC 1358047677 YXGIKZVXEVLLEP-ZIAGYGMSSA-N 237.387 3.770 30 20 BHED N#Cc1ccc(NCC2CCCC2)cc1Cl 42011186 RUEBLPUBEWEIJV-UHFFFAOYSA-N 234.730 3.814 30 20 BHED CC[C@H](C#N)SCc1cccc(C)c1 54965723 TYVDOYFQAGSKCF-GFCCVEGCSA-N 205.326 3.530 30 20 BHED C=CCCCC(=O)Nc1c(C)cccc1Cl 85296684 MVKHRMVSNBIGTC-UHFFFAOYSA-N 237.730 3.943 30 20 BHED CCCc1c(Cl)c(Cl)nc(Cl)c1C#N 98181160 GGRAXLLCACZNNT-UHFFFAOYSA-N 249.528 3.866 30 20 BHED O=C(/C=C\c1cccs1)c1ccc(F)cc1 102662443 IBVXMMKEECGSBJ-FPLPWBNLSA-N 232.279 3.783 30 20 BHED C=CCC[C@H](NCc1cccs1)C1CC1 119857026 FHQBOAHUIDCIOZ-ZDUSSCGKSA-N 221.369 3.583 30 20 BHED C=CCC(CC=C)C(=O)Nc1ccc(C)cc1F 121546893 UAIWIJKCWOJVNR-UHFFFAOYSA-N 247.313 3.841 30 20 BHED C=C[C@H](C)NCc1ccc(OCCC(C)C)cc1 123189333 XCFRSAQHTVQKQO-AWEZNQCLSA-N 247.382 3.776 30 20 BHED C=CCC[C@H](C)NCc1ccc(CC)s1 134912788 UUSQVYQCCSMMBR-NSHDSACASA-N 223.385 3.755 30 20 BHED Cc1cccc(N(C)CCC(C)(C)C#N)c1C 157745610 QNADXITXLLZGIB-UHFFFAOYSA-N 230.355 3.680 30 20 BHED C=CCCCC(=O)N[C@H](CCCC)C1CCC1 177126650 KWXGIYHQKVQXAD-CQSZACIVSA-N 237.387 3.818 30 20 BHED C=CCCCC(=O)N1CCCCc2ccccc21 177821898 CZDRBLZPRKVBGT-UHFFFAOYSA-N 243.350 3.712 30 20 BHED C=CCN[C@@H](C)c1cccc(Cl)c1Cl 183758524 SSONASAJETXBHJ-QMMMGPOBSA-N 230.138 3.830 30 20 BHED Cc1c(F)cccc1N[C@@H]1CCC[C@H](C#N)C1 185737711 LAICNDVZKKACEY-NWDGAFQWSA-N 232.302 3.628 30 20 BHED C=CCC[C@H](C(=O)N[C@@H](C)CC)c1ccccc1 189361833 BSGYAHVZYLQIQI-ZFWWWQNUSA-N 245.366 3.651 30 20 BHED C=CCSCCN[C@@H](C)c1ccc(C)cc1C 221936469 SEFSDESRUFYXCU-AWEZNQCLSA-N 249.423 3.873 30 20 BHED C[C@@H](CNc1cc(F)cc(C#N)c1)C(C)(C)C 227627524 LRWPUIPBFQAAKH-JTQLQIEISA-N 234.318 3.791 30 20 BHED C(/C=C/c1ccccc1)=NNc1ccccc1 254417632 WKFCGJZYIWAEEX-DOSQDUBCSA-N 222.291 3.798 30 20 BHED CCCON=C(C)c1cc2ccccc2o1 255021474 QJNPWUSLMBHOSP-UHFFFAOYSA-N 217.268 3.583 30 20 BHED N#CCCNC1(c2cccc(Cl)c2)CCCC1 298803376 DZAHLFGFIMBTIA-UHFFFAOYSA-N 248.757 3.613 30 20 BHED CCCC[C@@H]1CCC[C@@H]1Nc1ccc(C#N)cn1 301173385 VHKVVAGJZKGNLT-KGLIPLIRSA-N 243.354 3.724 30 20 BHED CCCCCSc1c(C#N)cccc1C#N 302876150 FZRBSNOTCPWFRP-UHFFFAOYSA-N 230.336 3.712 30 20 BHED C=C(Cl)CSCc1ncc(Cl)s1 308150246 MIDAVDJSWUEAQE-UHFFFAOYSA-N 240.180 3.782 30 20 BHED C=CCCCCN[C@@H](C)c1sccc1OC 381509110 VDNPHSHCEGAXOA-NSHDSACASA-N 239.384 3.764 30 20 BHED C=CC[C@H](CC)NC(=O)C[C@@H](C)C(C)(C)C 410134246 HHZZBGVPMGNTPP-NEPJUHHUSA-N 225.376 3.530 30 20 BHED CCCC[C@H]1CCC[C@H]1N[C@@H]1CC[C@H](C#N)C1 424336390 XXGDVWVRGDNKMD-BYNSBNAKSA-N 234.387 3.627 30 20 BHED CC(C)(CCC#N)CN1CC[C@H]1c1ccccc1 434979236 RKBJBFICLKVMFV-HNNXBMFYSA-N 242.366 3.763 30 20 BHED N#CCCCCN1CCCCCc2ccccc21 440744554 DHKBIFGREWKJKA-UHFFFAOYSA-N 242.366 3.913 30 20 BHED C[C@@H]1CCCC[C@@H]1CCN[C@@H]1CCC[C@H](C#N)C1 447527157 FIUGYJRVPVEODS-QKPAOTATSA-N 248.414 3.875 30 20 BHED N#CCc1cccc(NC2CCC3(CC2)CC3)c1 449695106 HSEJYIIXEMLBOI-UHFFFAOYSA-N 240.350 3.887 30 20 BHED CC[C@@H](NCC1(C#N)CCC1)c1ccc(C)cc1 450657775 AOJPEPHQEYXZGU-OAHLLOKOSA-N 242.366 3.730 30 20 BHED CC[C@@H](C#N)SC1CCC(C)(C)CC1 468401241 BTBHYUUPZLPXIR-JTQLQIEISA-N 211.374 3.991 30 20 BHED C=C(C)CCN[C@H]1CCC[C@H]1c1ccccc1 510783641 ZRQSYHMQYGOPTP-HOTGVXAUSA-N 229.367 3.879 30 20 BHED C=C(C)CN(CC)Cc1ccccc1OC(C)C 519997897 MOSBSLIPJLVZGX-UHFFFAOYSA-N 247.382 3.872 30 20 BHED C=CCCSCCc1ccc(C)cc1 523522066 TVFAJHAXWGLVEN-UHFFFAOYSA-N 206.354 3.847 30 20 BHED CC(C)(C#N)CCCCNC1(C2CCC2)CC1 593079598 FROCIICTPGGLIQ-UHFFFAOYSA-N 234.387 3.629 30 20 BHED N#CCC1(COc2cccc3sccc23)CC1 596304579 OZXZUHPEBOYTTH-UHFFFAOYSA-N 243.331 3.974 30 20 BHED CCCCCCCCC/C=C/C(=O)N1CCC1 737777455 CBJCCHUOJKFNNH-ZRDIBKRKSA-N 237.387 3.916 30 20 BHED CC(=NNc1ccc(C)cc1)c1cncc(C)c1 767361195 WLCUXYNHSIZBAI-UHFFFAOYSA-N 239.322 3.535 30 20 BHED Cc1cccc(C)c1/C=C\C(=O)c1cscn1 776193169 WSQYKSJVOVHWGX-SREVYHEPSA-N 243.331 3.656 30 20 BHED C=C(C)CN(C)C(=S)Nc1ccc(C)cc1C 777918324 LVNVTKIIMCVTDA-UHFFFAOYSA-N 248.395 3.508 30 20 BHED CCCCC(CC)=NNc1ccc2[nH]ncc2c1 779817900 HBYFNPYKLATSPU-UHFFFAOYSA-N 244.342 3.931 30 20 BHED CC[C@H](C)[C@@H](C)C(=O)OCCCC(C)(C)C#N 784614378 QRIDMGLMOGSMJP-NWDGAFQWSA-N 239.359 3.542 30 20 BHED Cc1cccnc1NN=C1CC[C@@H](C)[C@H](C)C1 790185205 DKUHEJORKHUCMS-ZYHUDNBSSA-N 231.343 3.614 30 20 BHED CC(C)(C)CCNN=C1CCC2(CC1)CC2 792644538 ZPEYQOKVBBHDQF-UHFFFAOYSA-N 222.376 3.722 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCCC 819069850 ZJKPRWDRTJYJTM-LBPRGKRZSA-N 225.376 3.674 30 20 BHED C=C[C@H](CC)CC(=O)N1CC2(CCC2)[C@@H]1C(C)C 820216175 PLECWNSBBAQESF-HIFRSBDPSA-N 249.398 3.626 30 20 BHED Clc1ccccc1NN=C[C@H]1C[C@H]2C=C[C@H]1C2 864358108 JRYJWTKJLBSDGT-SDDRHHMPSA-N 246.741 3.950 30 20 BHED CCCCCCCC(=O)N(C)[C@@H](C)C1CC1 891262891 ZSYZGYMNTRFJNN-LBPRGKRZSA-N 225.376 3.604 30 20 BHED C=CCNc1cccc(COC(C)(C)C)c1 901456451 LZLIIOBAIFHIAC-UHFFFAOYSA-N 219.328 3.600 30 20 BHED CC[C@H](N[C@H]1CC=CCC1)c1cccc(C#N)c1 902872391 ZRFFIPSKGSCYBU-HOTGVXAUSA-N 240.350 3.708 30 20 BHED N#Cc1ccc(NN=C/C=C/c2ccccc2)cc1 915961670 DBPCSWSFPMWMAS-DEVRPUBGSA-N 247.301 3.669 30 20 BHED N#Cc1c(F)cccc1OCCC(F)=C(F)F 1188996471 ULSYFSOKOHOULR-UHFFFAOYSA-N 245.175 3.544 30 20 BHED FC(F)(F)[C@@H]1CCC[C@H](C=NOC2CCC2)C1 1333709416 ZFTROIXOVQVKED-VHSXEESVSA-N 249.276 3.910 30 20 BHED FC(F)(F)[C@H]1CCC[C@@H](C=NOC2CCC2)C1 1333709417 ZFTROIXOVQVKED-ZJUUUORDSA-N 249.276 3.910 30 20 BHED Cc1cccc(C)c1OCCC(C)(C)C#N 57713643 OKSIMTMPQCBGCP-UHFFFAOYSA-N 217.312 3.622 30 20 BHED C=CCOc1ccccc1CN[C@H]1CCC[C@H]1C 71206458 HMIVFEUPDKCFQD-HIFRSBDPSA-N 245.366 3.530 30 20 BHED CCCCCCCCC(=O)CCCCC(=O)O 86039283 FCMLVMXRWKFUTG-UHFFFAOYSA-N 242.359 3.951 30 20 BHED endogenous,in-man CN(CC1CCCCC1)c1ccc(F)cc1C#N 111036223 VSWIXFWVWVZMAC-UHFFFAOYSA-N 246.329 3.714 30 20 BHED CCCCCCC[S@@](=O)c1ccc(F)cc1 113242668 OKRYPRCTQBRSGF-INIZCTEOSA-N 242.359 3.904 30 20 BHED CCCS[C@H](C)c1ccc(C#N)cc1 118444035 HWGKJXDMPRXDAX-SNVBAGLBSA-N 205.326 3.762 30 20 BHED C=C[C@H](C)N[C@H](C)c1oc2ccccc2c1C 132669700 VFIQKXBYMVBHSZ-CMPLNLGQSA-N 229.323 3.966 30 20 BHED C=CCCN[C@@H]1CCCC[C@H]1c1ccccc1 161740135 KOJVWEXJGUHWLE-JKSUJKDBSA-N 229.367 3.879 30 20 BHED C=CC[C@@H](C)N[C@H](C)CCCC(F)(F)F 166697432 WJWGQODUIBZSNL-NXEZZACHSA-N 223.282 3.662 30 20 BHED CCCCCCCC(=O)NCc1ccsc1 197948800 WPENZRFVFKJWJK-UHFFFAOYSA-N 239.384 3.725 30 20 BHED C=C(Cl)CN1c2ccccc2CC[C@@H]1C 216634887 QPKRQXXXBGWMJF-NSHDSACASA-N 221.731 3.580 30 20 BHED Oc1cccc(C=Nc2ccc(Cl)cc2)c1O 254396637 YSKDSXHNNKVTGV-UHFFFAOYSA-N 247.681 3.502 30 20 BHED C=C(C)CNc1ccc2sc(C)nc2c1 309071472 DRIDNQWIEAMQQL-UHFFFAOYSA-N 218.325 3.593 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](CC)C1CC1 309185759 OSOPQXHWGZSDES-OCCSQVGLSA-N 209.377 3.900 30 20 BHED C#CCCN[C@H](c1ccccc1Cl)C(C)C 309362187 OWQOGBXVAORDCE-AWEZNQCLSA-N 235.758 3.650 30 20 BHED C=C(CC)CN[C@H](CC)c1cccc([N+](=O)[O-])c1 313498636 FXTPIOFNXRLJAX-CQSZACIVSA-N 248.326 3.602 30 20 BHED C[C@H]1CCCC[C@@H]1Nc1ncc(C#N)cc1Cl 339239447 WRRNTUIQQDJXMJ-CABZTGNLSA-N 249.745 3.597 30 20 BHED N#Cc1ccc(/C=C/c2ccsc2Cl)nc1 358666721 XZWABNUDHUKPMY-DUXPYHPUSA-N 246.722 3.839 30 20 BHED Cc1nsc(Sc2cccs2)c1C#N 360956164 YZDIZZXXBRVPEA-UHFFFAOYSA-N 238.362 3.536 30 20 BHED C#CCCCCN[C@@H](CC)c1cccc(C)c1 384150296 PTHWQZASKVYTEH-INIZCTEOSA-N 229.367 3.839 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cccc(OCC)c1 424589075 CMKIUBIPSNRMQR-UHFFFAOYSA-N 247.338 3.626 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(OC(C)C)cc1 448719959 BCHOGUVDGMRDDJ-UHFFFAOYSA-N 247.338 3.625 30 20 BHED C=CCC[C@H](CCC)N[C@@H]1C[C@H](C)n2ccnc21 449573666 ROIULVKWVCFYLF-MELADBBJSA-N 247.386 3.613 30 20 BHED N#CCc1ccc(NCCCCF)c(Cl)c1 453122891 GNZZJTRGLKEVOX-UHFFFAOYSA-N 240.709 3.568 30 20 BHED C=CCCCNc1cc(F)ccc1OC(F)F 470548628 UGYHDHKHESMDQZ-UHFFFAOYSA-N 245.244 3.805 30 20 BHED C=CCN(Cc1cccc(C#N)c1)C[C@H](C)CC 480719025 QWHOWLWBMCYGPG-CQSZACIVSA-N 242.366 3.592 30 20 BHED CC#CCCCC(=O)N(C)[C@H](C)C1CCCCC1 512719624 DTPHCXDCEUYCBM-CQSZACIVSA-N 249.398 3.607 30 20 BHED CC(C)N(CCC#N)Cc1ccc([C@@H]2C[C@@H]2C)o1 534341966 CQPZMSZMWOBRCR-GXTWGEPZSA-N 246.354 3.527 30 20 BHED C[C@@H](NC1CCC(C)(C#N)CC1)c1ccsc1 590653592 XVEFHOKDDSZAGP-LMWSTFAQSA-N 248.395 3.871 30 20 BHED C=CCCNC(=O)C[C@@H](c1ccccc1)C(C)C 617615214 CJVDLMVFXIRHMN-OAHLLOKOSA-N 245.366 3.509 30 20 BHED C#CCCCOC(=O)[C@@H](CCC)c1ccccc1 727041753 OEVRPQNTKDKCHC-HNNXBMFYSA-N 244.334 3.527 30 20 BHED CCCCCCCCOC(=O)c1cccnc1C 731095716 ZPIGROLTBCCAKT-UHFFFAOYSA-N 249.354 3.907 30 20 BHED C=CCN(C(=O)[C@@H](C)CCC(C)(C)C)C(C)C 754093098 FJINPXGZQAQIKF-ZDUSSCGKSA-N 239.403 3.872 30 20 BHED C=C[C@H](C)NC(=O)c1ccc([C@@H](C)CC)cc1 757006427 GYSXPEMBYNZBGU-RYUDHWBXSA-N 231.339 3.504 30 20 BHED C=CC[C@H](N[C@H](C)C1CCCC1)c1ccncc1 766019921 NVFDVTONUMCISB-CJNGLKHVSA-N 244.382 3.867 30 20 BHED Cc1cc(C)c(NN=C2CCCOCC2)c(C)c1 770604885 ICTPIPJHOSRIFE-UHFFFAOYSA-N 246.354 3.580 30 20 BHED C=CCN(C(=O)C[C@H](C)CCCCC)C1CC1 771818952 OCXJLAFUSCTERK-CYBMUJFWSA-N 237.387 3.770 30 20 BHED CCCC(CC)=NN[C@H]1CCCC1(C)C 782288338 PIMMJBQXAVERBM-LBPRGKRZSA-N 210.365 3.721 30 20 BHED CC(C)C[C@@H](C)C=NNc1cccc(Cl)n1 793180879 CVIRFIQBBNVJMU-SNVBAGLBSA-N 239.750 3.815 30 20 BHED C=CCCCCC[C@@H](C)NCc1ccn(C)c1 793531790 JGGYNGWSRLIXOZ-CQSZACIVSA-N 234.387 3.640 30 20 BHED C#C[C@@H](N[C@H](C)CC1CC1)c1ccc(Cl)cc1 811516398 NFQYBWHHHAEWQC-IAQYHMDHSA-N 247.769 3.793 30 20 BHED CC[C@@H]1CC[C@H](C)CC1=NOCCOC(C)C 812237689 KBLXLBFYQZIONM-QWHCGFSZSA-N 241.375 3.630 30 20 BHED C=C(Cl)COc1c(C=O)ccc2ccccc12 814780289 MTBITRBNNTZMRU-UHFFFAOYSA-N 246.693 3.784 30 20 BHED C=C(C)[C@H](C)OC(=O)/C=C(\C)c1cccs1 857018617 IKOSRXZXHYQCJA-UQSGXBNBSA-N 236.336 3.659 30 20 BHED C=C[C@H](CC)CC(=O)N[C@H](C)c1ccsc1 935851921 YPLHFPOBBVAKJK-GHMZBOCLSA-N 237.368 3.528 30 20 BHED CC(C)CNN=C1CC[C@H]2CCCC[C@@H]2C1 1319757745 CISCYLBWMZIUHV-CHWSQXEVSA-N 222.376 3.578 30 20 BHED C[C@H](CSCC1(C#N)CC1)C(C)(C)C 1331871506 CPBMWOUJVFBASH-SNVBAGLBSA-N 211.374 3.706 30 20 BHED CC[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1 37031641 HMFWXAMLLPABIU-HZPDHXFCSA-N 242.366 3.617 30 20 BHED CC[C@@H](C#N)Sc1ccccc1Cl 43557504 DSHTYAKUAFEIBP-QMMMGPOBSA-N 211.717 3.734 30 20 BHED C[C@H](c1cccc(Cl)c1)N(C)CCCC#N 52162379 MYHQLGNZRWEMDP-LLVKDONJSA-N 236.746 3.637 30 20 BHED C[C@@H]1CCc2ccccc2N1CCC(C)(C)C#N 87595030 VNHZGVAGIQUUTG-CYBMUJFWSA-N 242.366 3.768 30 20 BHED CC(C)(C#N)CCCNc1cccc(F)c1F 87597544 GKHTUVXSFZGLLG-UHFFFAOYSA-N 238.281 3.707 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc(C)c(C)c1 119330670 XRGQOIQJIHJKCQ-QWHCGFSZSA-N 203.329 3.529 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1ccc(C)o1 133105540 IFYYQYIAWGVRGL-DGCLKSJQSA-N 221.344 3.983 30 20 BHED C=CCCS[C@@H](C)C(=O)Nc1ccccc1C 151993378 WHSCBMGCHLNUJI-LBPRGKRZSA-N 249.379 3.631 30 20 BHED CC#CCCN1CCC[C@H]1c1ccc(C)s1 155716273 HJUUPVXEYWEYRT-ZDUSSCGKSA-N 233.380 3.607 30 20 BHED C#CCCCN(CC(C)C)C(CC)CC 161137277 BHNSMXIVVALWIC-UHFFFAOYSA-N 209.377 3.546 30 20 BHED C=CCN(C)C(=O)C[C@H](CC)c1ccc(C)cc1 161469400 MRFBFEYDVMKRIA-AWEZNQCLSA-N 245.366 3.523 30 20 BHED CCCCC[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 248817769 LAXJGQFKSORZIW-MJBXVCDLSA-N 222.376 3.627 30 20 BHED C=CCCNc1ccc(OC(F)F)c(Cl)c1 303913809 UUHLSYPXDXXOFV-UHFFFAOYSA-N 247.672 3.929 30 20 BHED Cc1c(C#N)cccc1NC/C(Cl)=C/Cl 309180738 NRSVGNNRMRPNFG-YHYXMXQVSA-N 241.121 3.598 30 20 BHED C=CC[C@@H](CC)NCc1cc(F)c(F)cc1F 393769430 DRQKZVJRDJGRSQ-SNVBAGLBSA-N 243.272 3.548 30 20 BHED C=CC(C)(C)C(=O)N(C)[C@@H](C)C1CCCCC1 410839662 CRRVQJZAZCDDJO-LBPRGKRZSA-N 237.387 3.626 30 20 BHED C[C@H]1CCC[C@@H]1NCCC1(C#N)CCCCC1 411649428 PSLLHDOOMZTOCB-KBPBESRZSA-N 234.387 3.629 30 20 BHED CC(C)(C#N)CCSCC1CC(F)(F)C1 419472465 IBYWQFYHTDTFDU-UHFFFAOYSA-N 233.327 3.705 30 20 BHED C=CCC(C)(C)CNc1ncc(C#N)cc1Cl 432164938 RPVBQISEJOAUTH-UHFFFAOYSA-N 249.745 3.621 30 20 BHED CC(C)=CCC[C@@H](C)NCc1cc(C#N)cs1 449443644 UMBKTUCLYYNNER-GFCCVEGCSA-N 248.395 3.844 30 20 BHED C=CC1CCN(Cc2cc(Cl)cs2)CC1 494981236 SHNFCBNKQREHIE-UHFFFAOYSA-N 241.787 3.800 30 20 BHED COc1cc(C#N)ccc1CS[C@@H](C)C(C)C 499317242 RXEOKUXEENYQDZ-NSHDSACASA-N 249.379 3.845 30 20 BHED C=CCCC(=O)N(CCC)CC1CCCCC1 523252341 IEPFQJOSXQQZPR-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C=CCCCN(C)Cc1cc2ccccc2o1 531343485 WIPCGONCLQSAQU-UHFFFAOYSA-N 229.323 3.831 30 20 BHED C=C(CC)CN1CCC[C@H](Nc2ccccc2)C1 539116157 OMAGKLXQURCWIC-INIZCTEOSA-N 244.382 3.529 30 20 BHED N#Cc1ccc(OCCCc2ccsc2)cc1 543946276 QUZPZQOAFWKALZ-UHFFFAOYSA-N 243.331 3.631 30 20 BHED C=CCCCCN[C@H]1CCC[C@H]1SCC 569189281 BTTYGJNRUYNPMP-QWHCGFSZSA-N 227.417 3.607 30 20 BHED CC(C)(C#N)Cc1cccc(-c2ccncc2)c1 592986296 ZHVLDSHDWYTWGY-UHFFFAOYSA-N 236.318 3.841 30 20 BHED CC(C)(C#N)CCN1CC[C@@H]1c1cccc(F)c1 611462667 LGQIXXZZKZDYQK-CQSZACIVSA-N 246.329 3.512 30 20 BHED C=C[C@@](C)(CC)C(=O)NCc1cc(C)cc(C)c1 618159301 VGIYPGCUJUHDGD-INIZCTEOSA-N 245.366 3.522 30 20 BHED C=CCCCCCN1CCC(F)(F)C[C@H]1C 625980789 QSQBFTRKAULJDQ-GFCCVEGCSA-N 231.330 3.852 30 20 BHED C=CC[C@@H](C)C(C)=NNc1ccccc1[N+](=O)[O-] 727779701 QESOJBQOUJTZGU-SNVBAGLBSA-N 247.298 3.595 30 20 BHED CCCCCCCCC(=O)N(C)C1CCC1 742001166 VNILFAIZZZPKDC-UHFFFAOYSA-N 225.376 3.748 30 20 BHED C=CCN(CC#Cc1cccc(Cl)c1)C(C)C 746449891 KALJKHWHAZFQFW-UHFFFAOYSA-N 247.769 3.588 30 20 BHED C=CCCC(=NNc1cccc(F)c1)C1CC1 747754151 QBNCBJQXJOIKNL-UHFFFAOYSA-N 232.302 3.970 30 20 BHED N#Cc1cccc(SC/C(Cl)=C\Cl)c1 763260609 ADJCROACOCLWGH-WEVVVXLNSA-N 244.146 3.969 30 20 BHED C1CCC(ON=C2CCC[C@H](C3CC3)C2)C1 774601432 CWCAOAKRXWQKTL-LBPRGKRZSA-N 221.344 3.902 30 20 BHED CCCC(CC)=NNc1ncnc2ccsc12 776187380 FUBGGYOSUJZBQF-UHFFFAOYSA-N 248.355 3.669 30 20 BHED C=C(Cl)CNC(=O)[C@](C)(CC)CCCCC 780762023 PZJUBCROLLFBEM-CYBMUJFWSA-N 245.794 3.852 30 20 BHED C=CCCCOC(=O)CCCc1ccsc1 783264273 QAOWOHMCWKFGQP-UHFFFAOYSA-N 238.352 3.580 30 20 BHED C=C[C@](C)(CC)C(=O)Oc1cc(C)ccc1C 786609882 UDEKWGPNJKGUMQ-OAHLLOKOSA-N 232.323 3.811 30 20 BHED CC[C@@H](C)NN=C1C[C@@H](c2ccccc2)C1(C)C 790183688 UVQABODNFNVPOH-OCCSQVGLSA-N 244.382 3.944 30 20 BHED C[C@@H]1CCCC(=NNCC2(C)CCCC2)C1 793090337 PLRNTKGHWOGCHD-GFCCVEGCSA-N 222.376 3.722 30 20 BHED CC[C@@H]1CC[C@H](C)CC1=NOCCSC 797403403 LHFHRTNGYYLWGY-WDEREUQCSA-N 229.389 3.568 30 20 BHED CCC(=NOC1CCC1)c1cccc(F)c1 812235636 ZWONCKVFOMBEPO-UHFFFAOYSA-N 221.275 3.509 30 20 BHED Cc1ccnc(NN=CCC2CCCCC2)c1 814868461 UCONAKORNLWQKR-UHFFFAOYSA-N 231.343 3.758 30 20 BHED CC(=NOC1CCCCC1)c1ccc(C)nc1C 814908659 AIUZBSHYMONRGI-UHFFFAOYSA-N 246.354 3.772 30 20 BHED C[C@H](C=NOC/C=C\Cl)C1CCCCC1 814934132 MINZKSNCNRGKLE-AFDOPZPZSA-N 229.751 3.958 30 20 BHED C=C(CC)CN[C@@H](C)c1c(C)cc(C)cc1O 834903033 NXJQGCCLTWJPNN-ZDUSSCGKSA-N 233.355 3.626 30 20 BHED CC(C)ON=CC1CCC(C(F)(F)F)CC1 835003564 VMVOSVBQZNBVKY-UHFFFAOYSA-N 237.265 3.766 30 20 BHED C[C@@H]1CC[C@H](C=NNc2ccc(Cl)cn2)C1 853438088 ZFERMPFPQPNLDB-ZJUUUORDSA-N 237.734 3.569 30 20 BHED C=CCCC(C)(C)NC(=O)/C=C(/C)c1ccco1 856375372 VYGQKZXPQURLFJ-QXMHVHEDSA-N 247.338 3.544 30 20 BHED C=CC(C)(C)CCOC(=O)[C@@H]1C[C@H]1c1ccco1 860874631 DZAQSIQLCFBHCY-VXGBXAGGSA-N 248.322 3.529 30 20 BHED Cc1ccc(C)c(NN=Cc2cccc(F)c2)c1 916345509 CIZTYSWRRNZUJL-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C=C[C@H](CC)CC(=O)N[C@H](C)c1ccc(F)cc1 1120790175 WFCIIPUSKPNAOU-VXGBXAGGSA-N 249.329 3.605 30 20 BHED C=C(Cl)CNCc1cccc(C(F)(F)F)c1 37488847 LBFKZEYZALCTSI-UHFFFAOYSA-N 249.663 3.548 30 20 BHED CC[C@@H](CC#N)NCc1ccc(C(C)C)cc1 45044721 YVXWBOPAMXISBB-HNNXBMFYSA-N 230.355 3.592 30 20 BHED CCC[C@H](CC)Nc1ccc(C#N)cc1 50164931 CHLVHKDPTVMXTI-LBPRGKRZSA-N 202.301 3.549 30 20 BHED C=CCCCN(C)[C@@H]1CC[C@@H](SCC)C1 76071425 UPUUQAOTDNWJPB-CHWSQXEVSA-N 227.417 3.559 30 20 BHED C=CC[C@@H](C)NC(=O)[C@H](c1ccccc1)C(C)C 80348452 CFBYXPVYVIFNPN-HIFRSBDPSA-N 245.366 3.507 30 20 BHED Cc1ccoc1C(=O)/C=C/c1ccc(F)c(F)c1 119031508 FXMRTYZWXDYNST-HWKANZROSA-N 248.228 3.762 30 20 BHED C=C(C)CNCc1ccc(-c2ccccc2)o1 119655871 JGJIBPRWDAVORR-UHFFFAOYSA-N 227.307 3.612 30 20 BHED C=CCCC[C@H](C)NCc1ccc(CC)o1 133582586 SWTXDBGFJPVVQD-LBPRGKRZSA-N 221.344 3.676 30 20 BHED C=CCCC[C@H](C)NCc1cc(C)oc1C 133593071 GUHVFCXCTWWAJX-NSHDSACASA-N 221.344 3.731 30 20 BHED C=C(Cl)CNCc1cc2ccccc2s1 166097394 RLIAGCBTRRZHRV-UHFFFAOYSA-N 237.755 3.743 30 20 BHED C#CCCCCC(=O)N[C@@H](C)CCCCCC 179694303 FMYLUBXCBRQGMH-AWEZNQCLSA-N 237.387 3.655 30 20 BHED C=CCN[C@H](c1ccc(F)cc1)C(C)(C)C 195608073 QCBJEKMYLWWHGO-CYBMUJFWSA-N 221.319 3.689 30 20 BHED CC(C)C[C@H](C)C[C@@H](C)NCCCCC#N 336697360 ZARCBPGLRXENIB-UONOGXRCSA-N 224.392 3.731 30 20 BHED N#CCCCN1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 339259707 YAKFJMYAQNNAAQ-CAOSSQGBSA-N 246.398 3.581 30 20 BHED CC/C=C\CCN(CCC#N)CC(C)(C)C 342201213 BNMRGYQXENHUBV-SREVYHEPSA-N 222.376 3.604 30 20 BHED C=C(C)CCc1noc([C@H]2CC=CC[C@H]2C)n1 347267135 POUQMGHKIFWCGK-NEPJUHHUSA-N 232.327 3.648 30 20 BHED C=C(C)CCN(C)[C@@H]1CC[C@@H](SCC)C1 352043593 GCOUMUILBHJENF-CHWSQXEVSA-N 227.417 3.559 30 20 BHED C=CCCC[C@@H](C)NCCCc1ccc(C)nc1 354574857 PAZOHYXAAXGUOT-CQSZACIVSA-N 246.398 3.657 30 20 BHED CCN(CCCC(C)(C)C#N)CC(C)(C)C 390653646 OFGWBBCCNHGTCW-UHFFFAOYSA-N 224.392 3.684 30 20 BHED CCCC[C@H](CC)CN1CCC[C@H](CC#N)C1 397714917 QHBYSBQZGXLOON-LSDHHAIUSA-N 236.403 3.828 30 20 BHED C=CC[C@H](CC)NC(=O)[C@H](CC)CC(C)C 451626688 VKVURWVKACJIHR-OLZOCXBDSA-N 225.376 3.530 30 20 BHED C=CC(C)(C)c1nc(-c2cccc(C)c2)no1 453079334 JOCZXUFSMIRPEH-UHFFFAOYSA-N 228.295 3.509 30 20 BHED C=CCC1(NC(=O)[C@@H](C)CCC)CCCCC1 456374925 XMTBIWDGLXANKH-ZDUSSCGKSA-N 237.387 3.818 30 20 BHED CC#CCSCc1ccc(C(F)F)cc1 464090755 OHCVMSVWEIYMMS-UHFFFAOYSA-N 226.291 3.881 30 20 BHED CC(C)(C)[C@H]1CCCN1Cc1ccccc1C#N 513753381 CHTCJYOJAWLZRM-OAHLLOKOSA-N 242.366 3.569 30 20 BHED Cc1ccc(C)c(Oc2snc(C)c2C#N)c1 558001272 CRGWGUCVTKWRRU-UHFFFAOYSA-N 244.319 3.732 30 20 BHED CCc1cc(N[C@@H]2CCC[C@H](C#N)C2)ccc1F 586794887 TZYFFQAPOAXAOX-WCQYABFASA-N 246.329 3.882 30 20 BHED Cc1ccc([C@H](C)CN(CCC#N)C(C)C)cc1 600110798 FCWDXPYJOKJKBQ-OAHLLOKOSA-N 244.382 3.723 30 20 BHED CC(C)[C@H](C)S[C@H](C#N)Cc1ccccc1 610288501 VLEPDMMIXAKERT-JSGCOSHPSA-N 233.380 3.899 30 20 BHED C=CCC1(C(=O)N[C@@H](C)CCC)CCCCC1 648116931 RWOPJLKJSPULQX-ZDUSSCGKSA-N 237.387 3.818 30 20 BHED C[C@H](CC1CCCC1)NCc1ccc(C#N)cc1 689721635 VJGWNGCUVOHJMK-CYBMUJFWSA-N 242.366 3.617 30 20 BHED C=CCCOC(=O)c1oc2ccc(F)cc2c1C 729073570 BMBWZUOXLGDVLO-UHFFFAOYSA-N 248.253 3.613 30 20 BHED Cc1cccc2c1C/C(=C/c1ccsc1)C2=O 729151304 QUPGBSYZAHOEIB-GHXNOFRVSA-N 240.327 3.879 30 20 BHED CC(C)(C)C=NNc1ccc(C(F)(F)F)cn1 755489065 RHVRCQRIZSXUAX-UHFFFAOYSA-N 245.248 3.544 30 20 BHED COCCCC(C)=NNc1c(C)cc(C)cc1C 759196291 LJBCLHBHGSSFRV-UHFFFAOYSA-N 248.370 3.826 30 20 BHED Fc1ccc(NN=C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 762408137 AMIWRXCMXYHSQN-SRVKXCTJSA-N 232.302 3.660 30 20 BHED C#CCCCN1CCC[C@@H]1c1cccc(C)c1 766896061 WBXXGIPXJJAENX-MRXNPFEDSA-N 227.351 3.545 30 20 BHED CC1(C)CCCC[C@@H]1NN=C1CC2(CCC2)C1 773125136 NQVNQHLEPJJKIP-ZDUSSCGKSA-N 234.387 3.865 30 20 BHED CCCCCCC(C)=NOC1CCOCC1 774435896 KISUUULPLJRCNA-UHFFFAOYSA-N 227.348 3.528 30 20 BHED C#CCCCCCC(=O)Nc1cc(C)ccc1F 779718156 BOSZGSTWGGPRHZ-UHFFFAOYSA-N 247.313 3.656 30 20 BHED C=CCNN=C(CCC)CCc1ccccc1 794994182 NHPZLIJLDAQSMI-UHFFFAOYSA-N 230.355 3.551 30 20 BHED C=CCCCOC(=O)c1ccoc1C(C)C 796394565 LBPCCBMKQPGLLR-UHFFFAOYSA-N 222.284 3.526 30 20 BHED FC(F)(F)[C@H]1CCCC(=NOCC2CC2)C1 814242130 URNDWANPCHRTEN-VIFPVBQESA-N 235.249 3.522 30 20 BHED CC(=NOC(C)C)c1csc(Cl)c1 835002088 JHXKMAOANWRFPS-UHFFFAOYSA-N 217.721 3.551 30 20 BHED C/C(C=NOC(C)C)=C/c1ccccc1 835003757 BDNFKFSPTZYKNH-PJKKHHGGSA-N 203.285 3.501 30 20 BHED C=CC(C)(C)COC(=O)c1ccc(C(C)C)cn1 835721174 IKMOPKBFHRWZHS-UHFFFAOYSA-N 247.338 3.574 30 20 BHED C[C@H](CCC#N)CN1CCCC2(CCCC2)C1 877462173 LKNQHIJDCPQGFR-CQSZACIVSA-N 234.387 3.582 30 20 BHED C=CCOC(=O)c1cc2ccc(C(C)C)cc2[nH]1 914593273 QOEHUSPGAWCARS-UHFFFAOYSA-N 243.306 3.634 30 20 BHED C=CCC(C)(C)C(=O)N1CC[C@H]2CCCC[C@H]2C1 1324214919 VJNPUQPKNRSPOF-KGLIPLIRSA-N 249.398 3.627 30 20 BHED CC(Cc1ccc(F)cc1)=NOC(C)(C)C 1327800631 NXEPTVIKSGAUET-UHFFFAOYSA-N 223.291 3.559 30 20 BHED C[C@@H](c1cccc(C#N)c1)N(C)c1ccsc1 1646537281 XNHSUXYVUHYMPU-NSHDSACASA-N 242.347 3.817 30 20 BHED CCCC(CCC)=NNc1ccccc1[N+](=O)[O-] 6673464 BMJIPNFEQOACLD-UHFFFAOYSA-N 249.314 3.963 30 20 BHED N#Cc1ccc(F)c(CNC2CCCCCC2)c1 37389417 GFSIYHIOMHGHTG-UHFFFAOYSA-N 246.329 3.510 30 20 BHED CCCCCNc1cccc(OCCCC#N)c1 37777490 XOPYGZBOVBHSEL-UHFFFAOYSA-N 246.354 3.971 30 20 BHED CC[C@@H](C#N)Sc1ccc(Cl)cc1 43557460 JXBULROYFNDMGS-VIFPVBQESA-N 211.717 3.734 30 20 BHED C[C@@H]1CCCC[C@@H]1N(C)c1cccc(F)c1C#N 82190666 OXQAACZUVUHMEB-RISCZKNCSA-N 246.329 3.712 30 20 BHED CCCCCCCCC(=O)NCCC(C)C 106319053 ANYQYWIXTGZFIZ-UHFFFAOYSA-N 227.392 3.899 30 20 BHED CCCCCCCN[C@@H](C)c1nccs1 112576365 IHDURDDLMOITLH-NSHDSACASA-N 226.389 3.764 30 20 BHED C=CCN(Cc1ccccc1F)C(=O)CCCC 119959523 WSCYIKKBPKDDAF-UHFFFAOYSA-N 249.329 3.531 30 20 BHED C#CCCCCC(=O)Nc1cccc(C)c1Cl 120235038 GLSXSVOMPTWZHJ-UHFFFAOYSA-N 249.741 3.781 30 20 BHED C[C@@H]1CCC[C@H](N(C)Cc2ccc(C#N)s2)C1 130661789 JDBKZHLCFACJGQ-NEPJUHHUSA-N 248.395 3.630 30 20 BHED C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 184958186 GQPIGJBJZPVROV-KKUMJFAQSA-N 249.398 3.770 30 20 BHED CC(C)[C@@H](C)SCc1cc(F)ccc1C#N 229950277 IUZHDJACCGFKFM-SNVBAGLBSA-N 237.343 3.975 30 20 BHED CC(C)[C@H](CCc1ccccc1)NCCCC#N 273186250 FZFIDKDGXLHHST-INIZCTEOSA-N 244.382 3.537 30 20 BHED C#CCCCCN[C@@H](CC)c1ccc(C)cc1O 280086882 MCCZLIPAPYGFPO-HNNXBMFYSA-N 245.366 3.545 30 20 BHED COc1cc(NCCC(C)(C)C#N)c(C)cc1C 288755086 RJAKZBOLWJFDDS-UHFFFAOYSA-N 246.354 3.664 30 20 BHED CC[C@H](NCCCC(C)(C)C#N)C(C)(C)C 309628292 GJBYETVOATWALH-LBPRGKRZSA-N 224.392 3.731 30 20 BHED C[C@@H]1CC[C@@H](Nc2cccc(CC#N)c2)C[C@H]1C 313483927 USYLFOIVSMTNEA-XJKCOSOUSA-N 242.366 3.989 30 20 BHED N#C[C@@H]1CC[C@@H](Nc2ccc3ccoc3c2)C1 336405665 YRHDINLJILJKFS-ZYHUDNBSSA-N 226.279 3.537 30 20 BHED C=CCCSc1ncccc1Br 336634676 WYWYUOZGWVNLKS-UHFFFAOYSA-N 244.157 3.512 30 20 BHED C=CCCN(C)C(=O)c1sccc1C(C)C 342009833 BXMSAJIIMGXPDY-UHFFFAOYSA-N 237.368 3.520 30 20 BHED CCCC1(CNc2snc(C)c2C#N)CCC1 342511393 MYLZZUXFEXLMRR-UHFFFAOYSA-N 249.383 3.706 30 20 BHED C[C@@H]1CCC[C@@H](C)N(Cc2ccccc2C#N)C1 353936507 ZEJZCAZKAZFPTE-ZIAGYGMSSA-N 242.366 3.569 30 20 BHED CC(C)(C#N)CCCCN1CCCC2(CC2)C1 369720847 BMNLXFISWCVCKL-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1cccc(F)c1F 385030529 KOEALQHUGYUOOD-JTQLQIEISA-N 239.309 3.828 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCCCC(F)(F)F 389871018 JMEQZJOUZZUVLL-NXEZZACHSA-N 223.282 3.519 30 20 BHED CC[C@H](NCC(C)(C)CC#N)c1ccc(C)cc1 414172153 VQKMUJMDGQILJQ-HNNXBMFYSA-N 244.382 3.976 30 20 BHED CC(C)(C)C[S@@](=O)CCCCC(C)(C)C#N 414238696 IAAWSUVPZZQXCO-INIZCTEOSA-N 243.416 3.501 30 20 BHED CC(C)CC(CC(C)C)NCC1(C#N)CCC1 418142727 NOSTYESYTKTURP-UHFFFAOYSA-N 236.403 3.731 30 20 BHED C[C@@H]1CC[C@H](SCCC(C)(C)C#N)C1 419475651 NHWSHBWDSXKYTK-MNOVXSKESA-N 211.374 3.848 30 20 BHED C=CCCCCCS[C@H]1CCO[C@@H]1C 447291821 ZIDNRQJUAFFKBF-NEPJUHHUSA-N 214.374 3.643 30 20 BHED CC(C)CC[C@@H]1CC[C@@H](NCC(C)(C)C#N)C1 449241024 QNXMEIAQZRJRDD-ZIAGYGMSSA-N 236.403 3.731 30 20 BHED CC1(C#N)CCC(NC[C@@H]2CCCC2(C)C)CC1 449343409 KEVJYMZXUJBJTE-HLIUYOAVSA-N 248.414 3.875 30 20 BHED C=C[C@@](C)(CC)C(=O)NCCCCC(C)(C)C 468008990 HIMYFHCNAOMHGV-HNNXBMFYSA-N 239.403 3.921 30 20 BHED C=CCCCCNC(=O)[C@@H]1CCCC[C@H]1CC 476747071 OVIVNUCQZJMVNQ-ZIAGYGMSSA-N 237.387 3.675 30 20 BHED C=CCCCC(=O)N[C@H]1CCC[C@H](C(C)C)C1 479647167 DCMCOLLGFKYIFZ-KBPBESRZSA-N 237.387 3.674 30 20 BHED Cc1occc1SCc1cccc(F)c1C#N 488289422 VHHPWZVGBPFDHE-UHFFFAOYSA-N 247.294 3.891 30 20 BHED C=CCCCCCN1CC[C@@H]2CCC[C@H]21 489025991 JQQPWZXVDPVDBW-UONOGXRCSA-N 207.361 3.607 30 20 BHED C=CCC(C)(C)CNC(=O)[C@H](CC)CCCC 489745744 XGWKUALDMXIFBE-CYBMUJFWSA-N 239.403 3.921 30 20 BHED C=CCC(C)(C)C(=O)Nc1cc(C)c(O)c(C)c1 501026239 TYWKEPNVKWKTGB-UHFFFAOYSA-N 247.338 3.550 30 20 BHED C=CCCN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 502823420 MYSMZZODUHQQJN-IAGOWNOFSA-N 239.362 3.883 30 20 BHED C=C(C)CCN(Cc1ccccc1OC)C1CC1 509326305 FZVLAWLTJFCTJM-UHFFFAOYSA-N 245.366 3.626 30 20 BHED C=CCCCC(=O)Nc1cccc2ccncc12 531274662 CNQJWBZFOWRPDX-UHFFFAOYSA-N 240.306 3.530 30 20 BHED CC(C)C[C@H]1CCCCN1CCC(C)(C)C#N 539568386 HKTPEKOXKAROOW-CQSZACIVSA-N 236.403 3.827 30 20 BHED CC(CCc1ccc(C)cc1)=NNC1CCCC1 727651724 NKSJDSAWOCNQEM-UHFFFAOYSA-N 244.382 3.836 30 20 BHED N#Cc1ccc(SC/C=C\Cl)c(F)c1 741859992 OOGKPIAFVGGIBZ-RJRFIUFISA-N 227.691 3.542 30 20 BHED C#CCCCCCC(=O)N1CCCC[C@H]1CCC 754598840 ZAFLUPJRSUBBSD-OAHLLOKOSA-N 249.398 3.751 30 20 BHED CC(CCC1CC1)=NNc1ccc(F)cc1F 768763508 HCAPJZDFVBTSSX-UHFFFAOYSA-N 238.281 3.943 30 20 BHED O=C(/C=C\c1ccc2ncccc2c1)c1ccco1 769771774 SVPRFPYBXVXJAY-VURMDHGXSA-N 249.269 3.724 30 20 BHED C=CCCCCNC(=O)/C=C(/C)c1ccccc1 770083250 VCZDRLZFCUPNNE-YPKPFQOOSA-N 243.350 3.562 30 20 BHED C#CC[C@H](N[C@@H]1CCC[C@H]1C)c1ccccc1 773117028 SZCSNODIILXMFH-BMFZPTHFSA-N 227.351 3.529 30 20 BHED C[C@H](C=NOCCC(F)(F)F)c1ccccc1 777461459 XYEVGQODGXFZFF-SNVBAGLBSA-N 245.244 3.745 30 20 BHED C#CCCCCCC(=O)N(C)C1CCC(C)CC1 779745344 KVUPGCPRTRWQMF-UHFFFAOYSA-N 249.398 3.607 30 20 BHED C#CCCCCCC(=O)N(C)[C@H]1CCC[C@H](C)C1 779809768 PQNGMQRDYQGZTE-GJZGRUSLSA-N 249.398 3.607 30 20 BHED C/C=C(\CC)C(=O)NCCCCCCCC 788930077 PTZFQQULIYLZKH-WLRTZDKTSA-N 225.376 3.819 30 20 BHED C=C[C@](C)(CC)c1nc([C@H](C)CCC)no1 809361882 ZGKKBONJHBZXHL-ZWNOBZJWSA-N 222.332 3.827 30 20 BHED CC[C@@H](C)CC=NNc1ncnc2ccsc12 834964532 VIJUFWWNVZLHHB-SECBINFHSA-N 248.355 3.525 30 20 BHED C=CCON=C[C@H](CCC)c1ccccc1 835013406 RIECXLVVLBLGHO-AWEZNQCLSA-N 217.312 3.759 30 20 BHED C#CC[C@@H](N[C@@H](C)C1(Cl)CC1)c1ccccc1 925634881 MGHQKOJYHMCWGU-GXTWGEPZSA-N 247.769 3.501 30 20 BHED C=C[C@H](CC)CC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 933005482 ORHFRVSKAFAMDD-KBXIAJHMSA-N 249.398 3.768 30 20 BHED C=C(Cl)CN1CCCc2c(C)cc(C)cc21 1191939023 QOVHWGQOLBOLMI-UHFFFAOYSA-N 235.758 3.809 30 20 BHED Cc1ccccc1[C@H](N[C@H](C)CCC#N)C1CC1 1331330066 NTIUJOKRFJRNIX-CZUORRHYSA-N 242.366 3.728 30 20 BHED CC(C)[C@@H]1CN(C[C@H](C)CCC#N)[C@@H]1C(C)C 1621334423 MKIUCNPPNFOSET-QLFBSQMISA-N 236.403 3.539 30 20 BHED C=C(Br)CN[C@@H](CCC)C(C)(C)C 1658685524 JBQKNOXACICRNI-JTQLQIEISA-N 248.208 3.699 30 20 BHED C[C@@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1 1665827596 XXACDUWUWUNUDD-LALPHHSUSA-N 246.329 3.559 30 20 BHED Cc1cc(C#N)ccc1OCc1ccc(F)cc1 36194572 OCIRZNINVDOPDH-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C[C@@H]1CCCC[C@@H]1CNc1ccc(C#N)cc1 42804688 ZBPMRMRKRLWUQP-TZMCWYRMSA-N 228.339 3.796 30 20 BHED C=CCC1(C(=O)Nc2ccccn2)CCCCC1 113654171 CUSDIXRXMNBEOQ-UHFFFAOYSA-N 244.338 3.547 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc(CC)s1 119366463 KQAOSDPOOUEXQL-ZJUUUORDSA-N 209.358 3.536 30 20 BHED CCC(CC)CNc1c(F)cc(C#N)cc1F 134375297 NQSGNLKIBWKCPP-UHFFFAOYSA-N 238.281 3.685 30 20 BHED C=C[C@@H](C)N[C@@H]1C[C@H](C)Sc2sccc21 157239460 MEMDXQGCIQAXPL-WCABBAIRSA-N 239.409 3.838 30 20 BHED C=CC[C@@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1 163340793 VGPUCMAPVCLRCU-BXUZGUMPSA-N 248.326 3.600 30 20 BHED Cc1cc(C#N)ccc1CN1[C@@H](C)CCC[C@@H]1C 165434527 FCDVVTIOVXHACH-KBPBESRZSA-N 242.366 3.630 30 20 BHED CC[C@@]1(C)CCCN(CCCC(C)(C)C#N)C1 174879481 VNGQJUWPNMGMSQ-HNNXBMFYSA-N 236.403 3.828 30 20 BHED C=CCCCC(=O)N1CCC[C@@H]1C1CCCCC1 175366796 HYURTUWWOASYFU-OAHLLOKOSA-N 249.398 3.914 30 20 BHED C=CCC1(C(=O)Nc2ccccc2CC)CCC1 191843241 UCWKAXVGZLPEDS-UHFFFAOYSA-N 243.350 3.934 30 20 BHED C=C(C)CN(CC)[C@H](C)c1cccc(F)c1 195732954 WGJOVHMPJBGVCT-GFCCVEGCSA-N 221.319 3.785 30 20 BHED Cc1ccccc1/C=C\C(=O)c1cccc(O)c1 213695552 AISMGPOAXAQXCV-KTKRTIGZSA-N 238.286 3.597 30 20 BHED CC[C@@H](C)CSCc1ccccc1C#N 229045461 YVVLMKOEBYXIAV-LLVKDONJSA-N 219.353 3.838 30 20 BHED CC[C@H](C)[C@H](C)Nc1cc(C(C)=O)ccc1C#N 302098811 KIWYHHVSGIGZPI-QWRGUYRKSA-N 244.338 3.607 30 20 BHED C=CCNc1ccc(OC(C)C)cc1Cl 308833022 GXNAGZJARHDPDA-UHFFFAOYSA-N 225.719 3.725 30 20 BHED C=CCC[C@H](NCC(C)(C)C)c1ccco1 309530439 DHCMNQAVIRYQHX-LBPRGKRZSA-N 221.344 3.923 30 20 BHED CC[C@@H](CC#N)N[C@@H]1CCCCC12CCCC2 310235125 ICBHSDMZVKMRKT-UONOGXRCSA-N 234.387 3.771 30 20 BHED C=CCCc1csc(-c2ccc(C)o2)n1 341261592 PATUSFDYRXNFNF-UHFFFAOYSA-N 219.309 3.830 30 20 BHED C[C@H]1CCC[C@@H](C)CN1Cc1ccccc1C#N 353936505 ZEJZCAZKAZFPTE-KGLIPLIRSA-N 242.366 3.569 30 20 BHED C=CCC(C)(C)CN[C@@H]1CCC[C@H]1CC 381834595 QJVONQMFFVYFME-CHWSQXEVSA-N 209.377 3.757 30 20 BHED C=CCC(C)(C)C(=O)N1CC[C@@H](C2CCCC2)C1 421647014 RVGQLVSDWRFMNK-CQSZACIVSA-N 249.398 3.627 30 20 BHED C=C1CCN([C@H]2CCc3c(Cl)cccc32)CC1 443622369 XBZGEHOYLCIERH-HNNXBMFYSA-N 247.769 3.979 30 20 BHED C=CCCNc1ccc(C(=O)C(C)C)cc1 453158457 LQKJPNUNVAPTLF-UHFFFAOYSA-N 217.312 3.513 30 20 BHED CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@H](C#N)C1 463297979 AGNRZQNWKPLGJH-YJNKXOJESA-N 234.387 3.627 30 20 BHED C=CCCC[C@H](C)NC(=O)N(C)[C@H](C)CCC 537263193 FFIXNKPVCYBVQD-QWHCGFSZSA-N 240.391 3.561 30 20 BHED C=CCCCCSCC1(CC#N)CC1 596368246 WMBJFKWSPMXLHG-UHFFFAOYSA-N 209.358 3.770 30 20 BHED CC[C@H](N[C@H](C)C1CCC1)c1ccc(C#N)cc1 618572341 WZHNIAHUJAWWHV-WBMJQRKESA-N 242.366 3.788 30 20 BHED C=CCCC(C)=NNc1cc(F)cc(OC)c1 758125300 SYJQYPOQSNFXRO-UHFFFAOYSA-N 236.290 3.588 30 20 BHED C[C@@H](C=NNc1cccc(Cl)n1)C(C)(C)C 793181654 WOWBJUKZYIZEOR-VIFPVBQESA-N 239.750 3.815 30 20 BHED C=CCCCCCCN[C@H]1CCC[C@@H](C#N)C1 806167973 OYFGJOZMUHJQGF-CABCVRRESA-N 234.387 3.795 30 20 BHED CCC(Cc1ccccc1)=NOC1CCC1 812237241 QWXROYJLQYYGOY-UHFFFAOYSA-N 217.312 3.564 30 20 BHED Cc1cc(Cl)cc(C=NOC2CCC2)c1 814936505 WDKZYPHAVHFOLF-UHFFFAOYSA-N 223.703 3.551 30 20 BHED N#C[C@H]1CCC[C@H](OC(=O)CCC2CCCC2)C1 839042704 IFHTWWNSFRIWRZ-KBPBESRZSA-N 249.354 3.582 30 20 BHED CCSCCS[C@H](C#N)c1ccccc1 849893020 WGZKZRXMHFIUBF-GFCCVEGCSA-N 237.393 3.738 30 20 BHED C=CCN(C(=O)/C=C(/C)c1ccccc1)C(C)C 917658614 CSICDYSSUNABQS-OWBHPGMISA-N 243.350 3.513 30 20 BHED C[C@@H]1CCCC(=NN[C@H](C)c2ccccc2)C1 920385979 MKHCEVVERSNXDK-CHWSQXEVSA-N 230.355 3.903 30 20 BHED CC[C@H]1[C@H](C)CCN1CCC1(C#N)CCCCC1 1169582341 SNWBKSIHSUYWMB-CABCVRRESA-N 248.414 3.971 30 20 BHED COc1ccc([C@H](C)C(C)=NOC(C)(C)C)cc1 1319583973 QSIRDJDKJOHXST-LLVKDONJSA-N 249.354 3.990 30 20 BHED C=CCC[C@H]1CCCN1C(=O)CCC1CCC1 1336219418 VVCLUWAVXYNWLE-AWEZNQCLSA-N 235.371 3.524 30 20 BHED CCC[C@H](NCC(C)(C)CC#N)[C@@H]1CC1(C)C 1659994813 GIHSFLCSABQOII-STQMWFEESA-N 236.403 3.731 30 20 BHED CCC(CC)=NNc1nc2ccccc2s1 7894717 AGKCJNLCIXVINV-UHFFFAOYSA-N 233.340 3.884 30 20 BHED C=CCN(CCCCC#N)CC1CCCCC1 69859711 IXIKGUISCGNJAV-UHFFFAOYSA-N 234.387 3.749 30 20 BHED N#Cc1ccc(OCc2ccc3c(c2)CCC3)cc1 70498904 UIRROSYIQITPLG-UHFFFAOYSA-N 249.313 3.626 30 20 BHED CC(C)(C)[C@H](NCCCC#N)c1ccccc1 77409818 CXORGMGZKXJUQJ-CQSZACIVSA-N 230.355 3.667 30 20 BHED CC[C@H](NCCC(C)(C)C#N)c1cccs1 83638566 LRJGFUHYLLLMFL-NSHDSACASA-N 236.384 3.729 30 20 BHED C=CCSCc1csc(-c2ccco2)n1 114756524 YKNFETVZSHNAFE-UHFFFAOYSA-N 237.349 3.822 30 20 BHED C=CCCCCCN(C)[C@@H](C)c1ccncc1 172654840 SQQZQBLNNLLYMN-AWEZNQCLSA-N 232.371 3.821 30 20 BHED C=CCCCC(=O)Nc1c(C)cccc1CC 177729937 JMAUYDXZKYZKMN-UHFFFAOYSA-N 231.339 3.852 30 20 BHED C=CCC1(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)CCC1 248810370 SJWXRDCVMJNXKI-MELADBBJSA-N 249.398 3.674 30 20 BHED C[C@H](CCC#N)N1C[C@H](c2ccccc2)C[C@H]1C 299401225 UXYMHJWNEIYEJN-IIAWOOMASA-N 242.366 3.557 30 20 BHED C=C(CC)CNc1cccc2cc[nH]c12 309049489 QBYNKNHBQQTQJJ-UHFFFAOYSA-N 200.285 3.546 30 20 BHED C=C(CC)CNc1ccc2scnc2c1 309056439 UPVIADHRDVHFQE-UHFFFAOYSA-N 218.325 3.674 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCC[C@@H](C)[C@@H]1C 309067425 ADGXROQZWIXBJC-ZOBORPQBSA-N 209.377 3.755 30 20 BHED CCC#C[C@H](C)N[C@H](C)c1cc(C)sc1C 309653024 YHGXHSVTVBOWDH-CMPLNLGQSA-N 235.396 3.817 30 20 BHED C=CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C 309812402 UOIZIMMEZSLZFQ-LEWSCRJBSA-N 235.758 3.813 30 20 BHED C[C@H](Nc1cccc(CC#N)c1)C1CCCC1 313430874 VDZGJZWMDZJLEK-LBPRGKRZSA-N 228.339 3.743 30 20 BHED C=C1CCN([C@@H](C)c2cccc(F)c2)CC1 342000081 YOEPAIZCDKWNEM-LBPRGKRZSA-N 219.303 3.539 30 20 BHED C[C@H]1CCC[C@@H](C)CN1Cc1ccc(C#N)cc1 353883572 UWPQDHLOJQNXSZ-KGLIPLIRSA-N 242.366 3.569 30 20 BHED C=C(CC)CSCc1nc2ccccc2[nH]1 358654547 KEPBSOCSHYFGCD-UHFFFAOYSA-N 232.352 3.762 30 20 BHED C=CCCCCC[C@H](C)NC[C@@H](C)SC 380248708 OUOKBOFZGCBKRY-QWHCGFSZSA-N 229.433 3.853 30 20 BHED C=C(C)[C@H]1OCC[C@@H]1CNC(CCC)CCC 436302410 UKRCFBBCKIMMLB-UKRRQHHQSA-N 239.403 3.526 30 20 BHED CC[C@H](F)CSCc1cccc(C#N)c1F 442560473 XMYPTCJAGUJOKG-NSHDSACASA-N 241.306 3.679 30 20 BHED CC[C@H](C)C[C@@H](C)NC1CCC(C)(C#N)CC1 449168149 AHFLJJJHDACQSJ-ZUJMUWTESA-N 236.403 3.873 30 20 BHED C=CCCC1(C(=O)N2C[C@H](CC)CC[C@@H]2C)CC1 456826313 WWVCVLXBXKBZMM-UONOGXRCSA-N 249.398 3.770 30 20 BHED C=CCCCN(Cc1ccc(F)cc1)C1CC1 522775867 GJEYNZVSQSEMME-UHFFFAOYSA-N 233.330 3.756 30 20 BHED CC(C)(CC#N)CSc1cc(F)ccc1F 567062673 FEZKYONLRHVCLJ-UHFFFAOYSA-N 241.306 3.997 30 20 BHED CC(C)CN(C[C@@H](C)CCC#N)C1CCCC1 602445901 YPCMSEILZSTYKS-AWEZNQCLSA-N 236.403 3.827 30 20 BHED CCCCCCCNc1nnc(C(F)F)s1 703742873 CKEOMNMIULPQSH-UHFFFAOYSA-N 249.330 3.858 30 20 BHED CCC(CC)NN=C(C)c1cc(C)sc1C 734365389 XQTGFIAVNFRTPD-UHFFFAOYSA-N 238.400 3.867 30 20 BHED C=C(Cl)CN1CC[C@@H](c2ccccc2)[C@@H](C)C1 741809504 ITTNHIGQGUVLNQ-SWLSCSKDSA-N 249.785 3.865 30 20 BHED CC(C)C(=NNc1ccc(F)cc1F)C1CC1 750912474 OJSKJCXKNLXDIK-UHFFFAOYSA-N 238.281 3.799 30 20 BHED C[C@@H]1Cc2ccccc2C1=NNc1ccccc1 751127282 KNWXFJPSPLICQC-GFCCVEGCSA-N 236.318 3.695 30 20 BHED CCCCCCC[C@@H](NCCO)c1ccccc1 764636052 QLSLHTGACWRDGF-MRXNPFEDSA-N 249.398 3.670 30 20 BHED C#CCCCN(CCc1ccccc1)CC(C)C 766894940 HNDVAINMOCUEPS-UHFFFAOYSA-N 243.394 3.601 30 20 BHED CCC(CC)CNN=C(C)C1CCCC1 774476580 HDBUCQZOBXNXBU-UHFFFAOYSA-N 210.365 3.578 30 20 BHED C#C[C@H](C)N(C)Cc1c(Cl)oc2ccccc12 775183607 PWHUITOWHLCMAL-JTQLQIEISA-N 247.725 3.540 30 20 BHED C=CCCCCCOC(=O)/C=C/c1ccco1 782024181 OFQPRHUYGNXBHN-MDZDMXLPSA-N 234.295 3.582 30 20 BHED CCCCCCCCOC(=O)CC(C)(C)C#N 785077649 GWMFYWLBYKSIKB-UHFFFAOYSA-N 239.359 3.830 30 20 BHED Cc1cccc(/C=C\C(=O)c2cncs2)c1C 787171182 IHQLHSMTCKTEBO-SREVYHEPSA-N 243.331 3.656 30 20 BHED C=CCN(Cc1ccccc1O)c1ccccc1 788432497 FCJIPVKHNKTHBD-UHFFFAOYSA-N 239.318 3.585 30 20 BHED C#C[C@@H](CCC)NC(=O)CCCC[C@H](C)CC 791201185 SLOKMBJEZKLFHJ-KGLIPLIRSA-N 237.387 3.511 30 20 BHED C#CCCCN1CC[C@H](c2ccc(C)cc2C)C1 791604675 LNBFZXIEQLIPBR-INIZCTEOSA-N 241.378 3.506 30 20 BHED C[C@@H](C=NNc1ccccc1[N+](=O)[O-])C(C)(C)C 800803926 PJKKINIAPPGNLD-JTQLQIEISA-N 249.314 3.675 30 20 BHED C#CC[C@H](N[C@@H]1CC[C@@H]1C1CC1)c1ccccc1 806147972 BQIUQPRUJLPFPM-IXDOHACOSA-N 239.362 3.529 30 20 BHED CC[C@@H]1CCC1=NNc1cc(F)cc(F)c1 807965250 PCFYSYHOGJEYMN-MRVPVSSYSA-N 224.254 3.553 30 20 BHED C=CCCCCCCCNCc1ccn(C)c1 810160489 IYBAEMAAZYZLMI-UHFFFAOYSA-N 234.387 3.641 30 20 BHED C=CCCCCOC(=O)c1cccc(C)c1F 811010692 FDHKQXVBCJUGBJ-UHFFFAOYSA-N 236.286 3.647 30 20 BHED C#CCCCCCC(=O)N[C@@H](CC)[C@H]1CC1(C)C 841363166 UNZWHEMIIHXMFL-KGLIPLIRSA-N 249.398 3.511 30 20 BHED C=C[C@H](CC)CC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21 891165778 PAOFXXGTWBYEMU-MCIONIFRSA-N 249.398 3.626 30 20 BHED C=C1CC(c2noc(-c3occc3C(C)C)n2)C1 896878120 SXOFMENKHLEDIA-UHFFFAOYSA-N 244.294 3.887 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H](c1ccccn1)C1CC1 903340044 OVMUEGUJQVJUSQ-ZENOOKHLSA-N 244.382 3.723 30 20 BHED Cc1cccc2c1[C@@H](NCC(C)(C)CC#N)CC2 926569700 SSBYIOSAKCGYRK-AWEZNQCLSA-N 242.366 3.512 30 20 BHED N#CCN1CCC[C@@H]1c1cccc2ccccc12 64637327 XCFFKAIZJXWDLW-MRXNPFEDSA-N 236.318 3.500 30 20 BHED CC(C)(C#N)CCOc1ccc(F)cc1Cl 87596092 WTLYSHZGJHCDJN-UHFFFAOYSA-N 241.693 3.798 30 20 BHED CCNc1ccccc1S[C@H](C)CC#N 89105171 CCUJWXOZAYQUEJ-SNVBAGLBSA-N 220.341 3.513 30 20 BHED C#CCCCCC(=O)N1CCC[C@H]1CCC(C)C 120292111 YZPBRQLWXCXHGB-HNNXBMFYSA-N 249.398 3.607 30 20 BHED C#CCCCCNCc1c(C)oc2ccccc12 156098993 VTMHFKYTUKVFOM-UHFFFAOYSA-N 241.334 3.634 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc(C)cc1C 161636354 AVGTXFSFJMKVJT-KBPBESRZSA-N 217.356 3.919 30 20 BHED C=CCCCC(=O)N(C)C1CCC(C)(C)CC1 176730516 PDNRZAKIFZXYMR-UHFFFAOYSA-N 237.387 3.770 30 20 BHED CCOc1ccc2ccccc2c1OCCC#N 184774570 QHUTZEJHMCWFAE-UHFFFAOYSA-N 241.290 3.531 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C)cc1OC 187844751 VKVQWDKKZBZMQO-HNNXBMFYSA-N 247.338 3.544 30 20 BHED CC/C=C(\C)C(=O)Nc1ccc(C#N)c(Cl)c1 207099531 SXKBDXNZBIHEBU-RUDMXATFSA-N 248.713 3.506 30 20 BHED Cc1ccoc1CNc1ccc(Cl)c(C#N)c1 229473934 DNEWCBKMWFOONG-UHFFFAOYSA-N 246.697 3.725 30 20 BHED C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 274392648 BJYBFQXBLPPUQZ-MJVIPROJSA-N 248.757 3.683 30 20 BHED CCN(CCCCF)[C@@H](C)c1ccc(C#N)cc1 285889881 GDBLVGOMRNXFRH-ZDUSSCGKSA-N 248.345 3.691 30 20 BHED C[C@H]1CC(C)(C)CC[C@@H]1Nc1ccc(C#N)cn1 301512853 DMDUJXKPBZVGRK-AAEUAGOBSA-N 243.354 3.580 30 20 BHED C[C@H](CCC1CC1)Nc1cccc(F)c1C#N 302219855 MJGOVPZLPPUPHW-SNVBAGLBSA-N 232.302 3.688 30 20 BHED CC(C)C[C@H](C)CN[C@@H](C)c1ccc(C#N)cc1 302447306 WZVPSVQDTPBDIV-KBPBESRZSA-N 244.382 3.891 30 20 BHED C=CCC[C@@H](CC)N[C@@H](C)Cc1ccco1 310042269 ZIMZRCWCSANLEY-QWHCGFSZSA-N 221.344 3.545 30 20 BHED Cc1cccc(CN(CCC#N)CCC(C)C)c1 353418258 BMFBRYGXUSAOGT-UHFFFAOYSA-N 244.382 3.757 30 20 BHED C=C(C)CCN[C@@H](C)CCCC(F)(F)F 387337660 DVZREVZFFWILAU-JTQLQIEISA-N 223.282 3.663 30 20 BHED C[C@H](CCC#N)N1CCCC2(CCCCC2)C1 411263183 SMEQJLLHSKQITA-CQSZACIVSA-N 234.387 3.725 30 20 BHED C=CCOCCSCc1cc(C)ccc1F 419511519 CNHVKAUHQXLOMC-UHFFFAOYSA-N 240.343 3.570 30 20 BHED C[C@@H]1CCC[C@H](CNC2CCC(C)(C#N)CC2)C1 449091696 KDYSTJQNDITDRX-QVOMUQBLSA-N 248.414 3.875 30 20 BHED C=CCCCC[C@@H](C)NCCC(F)(F)F 449179216 WCEDOYRLWYNLCG-SNVBAGLBSA-N 223.282 3.663 30 20 BHED C=C(CNC1CC2(CCC2)C1)c1ccccc1 459393080 XWFCUGNLSHLEPY-UHFFFAOYSA-N 227.351 3.622 30 20 BHED C=CCC(CC=C)C(=O)N(CCC(C)C)C1CC1 467810122 SBAZLPZMJSVNIM-UHFFFAOYSA-N 249.398 3.792 30 20 BHED C=CCN(Cc1cccs1)C[C@H](C)CC 480756659 BFDGGKUHDSDAHF-GFCCVEGCSA-N 223.385 3.782 30 20 BHED C=C(C)CN(C)[C@@H]1CCCc2ccc(F)cc21 481278152 BQBDTIUQBKRZHZ-OAHLLOKOSA-N 233.330 3.711 30 20 BHED C=CCCCCCN(C)CCc1ccccc1O 488293446 GDLWQIARDZTTJQ-UHFFFAOYSA-N 247.382 3.613 30 20 BHED N#C[C@H](SC1CCC1)c1ccccc1 580097518 PUQWSPOPIQLWOC-LBPRGKRZSA-N 203.310 3.537 30 20 BHED C=CCCC(C)(C)NCc1ccc(C#N)c(F)c1 594998468 HEYUDARROQAFHU-UHFFFAOYSA-N 246.329 3.532 30 20 BHED C[C@H](C#N)N[C@@H](CC1CCCCC1)C(C)(C)C 609677358 YXBQDQDJKUIZJL-OCCSQVGLSA-N 236.403 3.873 30 20 BHED C=CCC(C)(C)CNC(=O)c1c(C)oc(C)c1C 647120715 ZYJTZMQQVGVAGU-UHFFFAOYSA-N 249.354 3.537 30 20 BHED CCCNN=C(C)CCC1CCCCC1 731925853 ZDMIQRSJQYXQER-UHFFFAOYSA-N 210.365 3.722 30 20 BHED Clc1ccccc1NN=CC1CCCC1 741837392 JPTDHOYZCMTRDN-UHFFFAOYSA-N 222.719 3.928 30 20 BHED CCCNN=C1C[C@@H](c2ccccc2)C[C@@H](C)C1 749859537 WFQHUPLHMQLVGC-HIFRSBDPSA-N 244.382 3.946 30 20 BHED N#CCCCCOC(=O)CC1CCCCCC1 750567624 JXVWRZNKHPZOSZ-UHFFFAOYSA-N 237.343 3.584 30 20 BHED C[C@H]1CC(C)(C)CCC1=NO[C@H]1CCCCO1 755822530 VKDMTGRLCSYAMM-AAEUAGOBSA-N 239.359 3.732 30 20 BHED CC/C(C)=C(/C)C(=O)Oc1ccc(C#N)c(C)c1 765113143 MDBPQTCAMVWQOJ-BENRWUELSA-N 243.306 3.519 30 20 BHED CC(=NN[C@H](C)c1ccccc1)c1occc1C 767780899 YXKWWGOXGFSGAQ-GFCCVEGCSA-N 242.322 3.663 30 20 BHED CCCCCCCC(=O)N(CC(F)F)C(C)C 768933446 DZNJPIFOVXNTEK-UHFFFAOYSA-N 249.345 3.849 30 20 BHED CC[C@@H]1C[C@@H](C)CCC1=NO[C@H]1CCCCO1 769583070 BLGHXYQUWAOROR-SCRDCRAPSA-N 239.359 3.732 30 20 BHED C(=NOC1CCCC1)c1coc2ccccc12 774609120 SGROBRRLXIBECW-UHFFFAOYSA-N 229.279 3.726 30 20 BHED CC1=C(C(=O)O[C@H](C#N)C2CCCCC2)CCC1 776395767 NANOFQFKBMTIJC-CQSZACIVSA-N 247.338 3.502 30 20 BHED CC[C@H](C)NN=Cc1c(C)cc(Cl)cc1C 790182467 CXLUUBNIGUADAZ-NSHDSACASA-N 238.762 3.679 30 20 BHED C#C[C@@H](CCC)NC(=O)[C@@H](CC)CC1CCCC1 791742695 KZSNXHXCRVRHIA-GJZGRUSLSA-N 249.398 3.511 30 20 BHED CC(C)CON=C1CCC[C@H](c2cccnc2)C1 799884762 JWXCBOVKBMFBQL-ZDUSSCGKSA-N 246.354 3.768 30 20 BHED C=CCN(C(=O)C(C1CCC1)C1CCC1)C(C)C 808195371 QMHIVPBQSUIIRV-UHFFFAOYSA-N 249.398 3.626 30 20 BHED CCc1ccc(C=NNc2ccccc2F)cc1 812458625 HKRPNIMPZROQNH-UHFFFAOYSA-N 242.297 3.834 30 20 BHED CC[C@H](C)CCC(=O)O[C@@H](C)CC(C)(C)C#N 851204534 RMSQPHXPRMBNIM-RYUDHWBXSA-N 239.359 3.684 30 20 BHED C[C@H]1CC[C@@H](C=NNc2ccc(Cl)cn2)C1 853438087 ZFERMPFPQPNLDB-VHSXEESVSA-N 237.734 3.569 30 20 BHED N#C[C@@H]1CCC[C@@H](NC2(C3CCCCC3)CC2)C1 903447687 AZHUPAARSATQKS-UKRRQHHQSA-N 246.398 3.771 30 20 BHED Cc1ccc(CN[C@@H](C)CC(C)(C)C#N)cc1F 924588698 DONJOLYJLKNJAS-LBPRGKRZSA-N 248.345 3.552 30 20 BHED C=CCCCC(=O)NC(C)(C)C1CCCCC1 1318924640 UTAYBBJHETXPMB-UHFFFAOYSA-N 237.387 3.818 30 20 BHED C=C(Cl)CN1CCCCc2sccc21 1642902964 QRMFIRGQRFBKKC-UHFFFAOYSA-N 227.760 3.643 30 20 BHED C#Cc1cccc(NCc2ccc(C)cc2C)c1 19876786 WOPPOJCKGJKLAY-UHFFFAOYSA-N 235.330 3.897 30 20 BHED C=CCN1CCc2ccccc2[C@@H]1c1ccccc1 28243389 PSARTERNWYGCNM-SFHVURJKSA-N 249.357 3.820 30 20 BHED C=CCOc1ccc(CN[C@H](CC)C(C)C)cc1 42585187 YGUAZNYHVZXZSC-MRXNPFEDSA-N 247.382 3.776 30 20 BHED CSc1ccc(OCCC(C)(C)C#N)cc1 87596175 XAYSDKPGDHGOAH-UHFFFAOYSA-N 235.352 3.727 30 20 BHED C=CCCC(=O)N1CCC[C@@H]1C1CCCCC1 102234678 ZNCJVKSTGMLFBV-CQSZACIVSA-N 235.371 3.524 30 20 BHED C=C(C)CS[C@H](C)c1ccc(C#N)cc1 118445750 BXKYBIHZPXRGPW-LLVKDONJSA-N 217.337 3.929 30 20 BHED C=CCCCN(C1CC1)[C@@H](C)c1ccco1 119131578 YYJZGIYCBBEBJI-LBPRGKRZSA-N 219.328 3.771 30 20 BHED O=C(/C=C/c1cccnc1Cl)c1ccsc1 171541848 ARZROOXMCVNUFY-ONEGZZNKSA-N 249.722 3.693 30 20 BHED CC[C@@H](C)CN(C)[C@@H](C)c1cccc(C#N)c1 189159940 VRMQWSPCPKZRLK-OLZOCXBDSA-N 230.355 3.597 30 20 BHED C[C@@H](NCCC(C)(C)C#N)[C@H](C)c1ccccc1 273455277 YSLVOSGPJYMKKL-UONOGXRCSA-N 244.382 3.708 30 20 BHED C=CC[C@H](C)NC/C=C/c1ccc(F)c(F)c1 286383020 GSTZRQMKKCPXJX-MALLOTDXSA-N 237.293 3.532 30 20 BHED CCCCc1ccc(NC(=O)CCCC#N)cc1 290960898 NLUORKRJXLIMIM-UHFFFAOYSA-N 244.338 3.662 30 20 BHED C=C(C)C[C@@H](C)c1nc(C2CC(F)(F)C2)no1 296584073 WGLZPPNNVGJJIU-MRVPVSSYSA-N 242.269 3.652 30 20 BHED C=CCC[C@H](CCC)NCC1(C(F)F)CC1 310027520 QBDJZUQTJJPLBB-NSHDSACASA-N 231.330 3.756 30 20 BHED C[C@H]1CCC[C@H](CNc2cccc(CC#N)c2)C1 313484796 WJVSXJOODWSLDX-ZFWWWQNUSA-N 242.366 3.991 30 20 BHED N#CC1(CN2CCCCC[C@H]2c2ccco2)CC1 335658803 CSSWLSDAXQLCBB-ZDUSSCGKSA-N 244.338 3.500 30 20 BHED C=CC[C@H](C)N[C@@H](C)[C@H]1CC2CCC1CC2 382195511 RLDJFPKSZRLTHU-APSKQVOWSA-N 221.388 3.755 30 20 BHED C=CCCCCN[C@H](C)c1cccs1 389356656 QPNUKXBZDFFZNJ-LLVKDONJSA-N 209.358 3.755 30 20 BHED C=C(C)C(C)(C)C(=O)N1CCC2(CCCC2)CC1 424685655 PIIDIUDWIFIPCX-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C[C@H](C1CC1)N(CCCCC(C)(C)C#N)C1CC1 444585517 ZSLYUMZTCNTEOU-CYBMUJFWSA-N 248.414 3.969 30 20 BHED N#CC1(COc2ccc(Cl)c(F)c2)CCC1 450908333 RYQHKZWJBZXTGF-UHFFFAOYSA-N 239.677 3.552 30 20 BHED C=CCC1(NC(=O)CC(C)(C)C)CCCCC1 456386423 SYCLJGYUCOEQJC-UHFFFAOYSA-N 237.387 3.818 30 20 BHED C=CC[C@H](CC)NC(=O)[C@](C)(CC)CCC 466530248 QAIDFXDAYUMUOE-GXTWGEPZSA-N 225.376 3.674 30 20 BHED C=CCC1(C(=O)Nc2ccc(C)c(C)c2)CCC1 478236311 XIDRHPQZKPOCJO-UHFFFAOYSA-N 243.350 3.988 30 20 BHED N#Cc1ccc(SCc2ccccc2F)cc1 509650807 RHYWKWUKOCSJLP-UHFFFAOYSA-N 243.306 3.990 30 20 BHED C=C(C)CCN1CC[C@H](C(F)(F)F)C1(C)C 510790514 HSGYQDFCLXFLOO-JTQLQIEISA-N 235.293 3.615 30 20 BHED C=C(C)CN(Cc1ccc(OCC)cc1)C(C)C 521195552 GXGBJRKHDUYRFR-UHFFFAOYSA-N 247.382 3.872 30 20 BHED CCc1cccc2c1N(CCC(C)(C)C#N)CC2 540663728 AKHYVDLBQPARPV-UHFFFAOYSA-N 242.366 3.551 30 20 BHED C=CCN1CCCC[C@@H]1c1ccc(C)cc1 607741548 PFPCYCGHZCSZQT-OAHLLOKOSA-N 215.340 3.708 30 20 BHED C=C[C@H](C)N[C@@H](CC)CCc1ccccc1 623904471 BYZQBCULWHUJMA-ZFWWWQNUSA-N 217.356 3.562 30 20 BHED C=C(C)COC(=O)C[C@H](C)C1CCCCC1 725971194 FHDRPHNJBIGNPR-LBPRGKRZSA-N 224.344 3.712 30 20 BHED C=CCCC(=O)O[C@@H](CC)c1ccc(C)cc1 733685376 JZUJYUGSRKPZCI-AWEZNQCLSA-N 232.323 3.956 30 20 BHED C=CCCCOC(=O)CCCc1ccccc1 735529796 MJIOLHHTRZUPTM-UHFFFAOYSA-N 232.323 3.519 30 20 BHED C[C@@H]1C[C@H]1C=NNc1ccc(Cl)c(F)c1 758377682 BINGTSWTEBATSN-SFYZADRCSA-N 226.682 3.533 30 20 BHED C#CCCc1noc([C@@H](CCCCC)C(C)C)n1 762010999 UMELFTYODXGHCM-ZDUSSCGKSA-N 248.370 3.955 30 20 BHED CCC(CC)(CC)SCC1(C#N)CC1 762974507 RPPQGSSPVFZRQP-UHFFFAOYSA-N 211.374 3.992 30 20 BHED C#CCCCCCC(=O)N[C@H]1CCC[C@@H](C)CC1 785613251 LZUHRBXXJXGPMB-CABCVRRESA-N 249.398 3.655 30 20 BHED CC[C@@H](C)CON=Cc1ccc2[nH]ccc2c1 793157733 CLFCPTJCGJNURS-LLVKDONJSA-N 230.311 3.565 30 20 BHED Cc1cc(C(=O)/C=C\c2cccc(F)c2)oc1C 799896786 KHLYQEHUZFWYFV-SREVYHEPSA-N 244.265 3.932 30 20 BHED C#C[C@H](NCc1ccc2occc2c1)C(C)(C)C 809781051 FSAONMXIKOYFSP-HNNXBMFYSA-N 241.334 3.570 30 20 BHED Fc1ccccc1NN=C[C@H]1CC=CCC1 812459235 TWWXFUSDHHWOSX-NSHDSACASA-N 218.275 3.580 30 20 BHED c1ccc([C@@H]2CCCC2=NOCCC2CC2)nc1 814246868 GMUYLHPFVBVMGM-ZDUSSCGKSA-N 244.338 3.522 30 20 BHED C#CCCCCCC(=O)N(C)c1ccccc1C 857703723 SDNQMIHQHFIUBU-UHFFFAOYSA-N 243.350 3.542 30 20 BHED Cc1cc(C)cc(NN=Cc2ccccc2F)c1 916346673 NUUQEHIEFDVGDT-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C=CCN(C(=O)Nc1ccc(C)cc1C)C(C)C 916705023 NCNBQYKRDGPCPN-UHFFFAOYSA-N 246.354 3.732 30 20 BHED CCCCCCCCCc1nnc(C)o1 1253370136 LDCLPURJYDROBS-UHFFFAOYSA-N 210.321 3.671 30 20 BHED C#CCCCC(=O)Nc1c(C)cc(Cl)cc1C 1321117011 BOBOIVBEBDSDJY-UHFFFAOYSA-N 249.741 3.699 30 20 BHED N#Cc1ccnc(/C=C/c2ccc(Cl)s2)c1 1344339209 VMZKBASNCAAVPP-OWOJBTEDSA-N 246.722 3.839 30 20 BHED C=C(Cl)CN1C[C@@H](c2ccc(C)cc2)C[C@H]1C 1617609995 BKLDVEOSMFMPDN-HIFRSBDPSA-N 249.785 3.925 30 20 BHED Cc1ccc(C#N)c(SC2CCCCC2)n1 43400918 WXUIYOGQEGHEET-UHFFFAOYSA-N 232.352 3.687 30 20 BHED Cc1ccc(N(C)Cc2ccccc2C#N)cc1 50003991 JJGBQSGUBUBSAA-UHFFFAOYSA-N 236.318 3.503 30 20 BHED CCCCCCCc1nc(-c2ccccn2)no1 109501383 RIPJFFUEUAMTNR-UHFFFAOYSA-N 245.326 3.645 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cccc(Cl)c1 116907705 FRXFOYPCIPUPSU-QWRGUYRKSA-N 223.747 3.955 30 20 BHED C=CC[C@@H](C)NC1CCC(C(C)C)CC1 126895410 YCAUBZPBXRAHQZ-IYXRBSQSSA-N 209.377 3.755 30 20 BHED CC[C@@H](C#N)Sc1ncc(C(C)(C)C)s1 127817114 GCSHHFBXLNAUEA-QMMMGPOBSA-N 240.397 3.835 30 20 BHED CC1(C)CC[C@@H](Nc2ccc(OCC#N)cc2)C1 129233063 KREQXOZAWPGILD-CYBMUJFWSA-N 244.338 3.580 30 20 BHED C=C(Br)CN[C@H](CC)C[C@@H](C)CC 133320808 SOZDQROJJOYZTB-GXSJLCMTSA-N 248.208 3.699 30 20 BHED C=CCC[C@H](Nc1ccc(C)nc1)C1CC1 134314486 JIMVOOXHPMWYIU-AWEZNQCLSA-N 216.328 3.547 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cnn(C(C)(C)C)c1C 191368341 CUJYJEXSNFRAKZ-NEPJUHHUSA-N 249.402 3.562 30 20 BHED CC(C)C[C@@H]1CCC[C@@H](NCC(C)(C)C#N)C1 230775382 GFJYIVLBLZNKFM-UONOGXRCSA-N 236.403 3.731 30 20 BHED CC(C)C[C@H]1CCC[C@@H](NCC(C)(C)C#N)C1 230775385 GFJYIVLBLZNKFM-ZIAGYGMSSA-N 236.403 3.731 30 20 BHED CCC[C@@H](CC)Nc1nc(Cl)c(C#N)s1 233284946 WFAJTRGFHQTFGQ-SSDOTTSWSA-N 243.763 3.659 30 20 BHED C[C@H]1CCC[C@H](CNc2cc(F)cc(C#N)c2)C1 235649087 DBYQGBLKWARKHQ-RYUDHWBXSA-N 246.329 3.936 30 20 BHED C=CC[C@@H](CC)NCc1ccc2ncccc2c1 281487357 VUAOFHQXINHEQY-OAHLLOKOSA-N 240.350 3.679 30 20 BHED CC[C@H](Nc1cccc(C#N)c1)C1CCC1 322361583 HEVNBYJALSXQNL-AWEZNQCLSA-N 214.312 3.549 30 20 BHED C=CCN(Cc1ccsc1Cl)C1CC1 361584752 GPNBQIDOURYOIL-UHFFFAOYSA-N 227.760 3.552 30 20 BHED C=C(CC)CN[C@H](c1ccccc1)C1CC1 390583895 XPKHYGZAPAHPRD-OAHLLOKOSA-N 215.340 3.694 30 20 BHED C=CCCC[C@H](C)N[C@@H]1CCc2cccc(O)c21 398193830 SKMHOYNYXMPTFN-GXTWGEPZSA-N 245.366 3.714 30 20 BHED C=CCSC1CC(OCc2ccccc2)C1 419403806 FECCAGCKVDUTBU-UHFFFAOYSA-N 234.364 3.653 30 20 BHED C=CCCCC[C@H](C)NCC1CC(F)(F)C1 449336920 PNDMKYISVAWSIL-NSHDSACASA-N 231.330 3.756 30 20 BHED Cc1cccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)c1 449775602 MQQHKMUCEXNJCI-DZKIICNBSA-N 242.366 3.728 30 20 BHED CC#CCCN1C[C@H](C)C[C@H]1c1cccc(F)c1 462322855 QZLHVTUNMBSRTP-CJNGLKHVSA-N 245.341 3.622 30 20 BHED CCNc1ccc(Oc2ccccc2)c(C#N)c1 488109379 KHLYUORYXWKYGU-UHFFFAOYSA-N 238.290 3.782 30 20 BHED C=CCSCc1ccc(OC(F)F)cc1 524459837 BYQZMNPZYHRCCW-UHFFFAOYSA-N 230.279 3.707 30 20 BHED C=C(C)CCc1noc(CC[C@@H](C)CC)n1 558388529 NXPOAHJVQBVCKM-NSHDSACASA-N 222.332 3.557 30 20 BHED C=CCC(C)(C)C(=O)N1CCC[C@@H](CC)CC1 580966809 NKBLZRSXBGUQMJ-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C/C=C/c1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1 581030097 JJWOQKSAYHAAJT-JHJUWLLWSA-N 226.323 3.824 30 20 BHED C[C@@H](CCC#N)CN(C)[C@H](C)c1ccccc1F 602442054 SNIWKZGZBQSFAZ-QWHCGFSZSA-N 248.345 3.758 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)C[C@@H]1CCOC1 678698654 ZBKIPRXRFLKKSL-KKUMJFAQSA-N 239.403 3.526 30 20 BHED C[C@H](CCC#N)N1CCC[C@H](C2CCCCC2)C1 708235445 GCAHUJBRPAKUIE-ZBFHGGJFSA-N 248.414 3.971 30 20 BHED C=CCCC(C)(C)NCc1ccc(Cl)cn1 717747242 FOCOAQMEVWXTNX-UHFFFAOYSA-N 238.762 3.569 30 20 BHED CCCCC(C)=NNc1cccc(OC)c1 725853560 MZIWFEURPMENAP-UHFFFAOYSA-N 220.316 3.673 30 20 BHED C=CCCC(=O)N1CCC(C2CCCCC2)CC1 726503972 QVRVDZXYUGABBJ-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CCN(CC=C)C(=O)[C@H](C)CCCCCC 741895433 CBTYVBRMPMHMCK-CQSZACIVSA-N 237.387 3.794 30 20 BHED C=C(C)CCOC(=O)c1ccc(C)c(Cl)c1 744305355 ZNFKCCIAXMIHPQ-UHFFFAOYSA-N 238.714 3.771 30 20 BHED C=C(Cl)CN1CC[C@@H]1c1ccc(Cl)cc1 749115156 PNMBMMWMZIVFBT-GFCCVEGCSA-N 242.149 3.839 30 20 BHED Cc1ccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)s1 765928908 ORYYCWSZFTZJTL-XQQFMLRXSA-N 248.395 3.790 30 20 BHED C=CCC[C@@H](CC)Nc1cccc(OC)c1F 769984511 IBSFZSVBRZGYGS-LLVKDONJSA-N 237.318 3.991 30 20 BHED CCC(CC)NN=C(C)[C@H](OC)c1ccccc1 782233296 YMXVKQHNTJYEDL-HNNXBMFYSA-N 248.370 3.528 30 20 BHED C=C[C@@](C)(CC)C(=O)OCc1ccc(C)cc1 785757827 NMVGEVOULBZUGL-HNNXBMFYSA-N 232.323 3.641 30 20 BHED C=CCCCCCCCCNC1CCOCC1 806176049 ICVDYCBHLGOASR-UHFFFAOYSA-N 239.403 3.672 30 20 BHED C#C[C@@H](CC)NCc1cc2cc(C)c(C)cc2o1 809685900 YJGKUBNZCMDMGN-AWEZNQCLSA-N 241.334 3.551 30 20 BHED C=CCCCCCCCNC(=O)CC1CCC1 810768481 NZMISQHOFAWYAX-UHFFFAOYSA-N 237.387 3.819 30 20 BHED CC1=CCC[C@H](C)[C@H]1C=NOC1CCC1 812235064 JVGFTUGPJYNFQL-AAEUAGOBSA-N 207.317 3.534 30 20 BHED CC(C)C(C=NOCCC1CC1)C(C)C 814245462 TUEKPNHMYSCJKJ-UHFFFAOYSA-N 211.349 3.717 30 20 BHED C[C@H](NN=C1CC[C@@H]1C1CCC1)c1ccccc1 814815211 QFDYKIDMLMPABW-SWLSCSKDSA-N 242.366 3.903 30 20 BHED C[C@H](CC#N)OC(=O)CCC1CCCCCC1 847646613 CRIGYRFVZMZSBT-GFCCVEGCSA-N 237.343 3.582 30 20 BHED CC(=NOCC1CCC1)c1c(C)cc(C)cc1O 853440843 KCNWPSHSXXSTEJ-UHFFFAOYSA-N 247.338 3.550 30 20 BHED Cc1ccc(OCCCCC2(C#N)CCC2)nc1 901494580 YCZTUGMNPIQVBH-UHFFFAOYSA-N 244.338 3.633 30 20 BHED C[C@H]1C[C@@H](C)N(CCCCC2(C#N)CCC2)C1 929698176 ZOLHIKHVKQKGJP-UONOGXRCSA-N 234.387 3.581 30 20 BHED Cc1nc(CSCCCCC#N)c(C)s1 1319445029 QKWGXCMVHQJUNK-UHFFFAOYSA-N 240.397 3.687 30 20 BHED C=CCC1(C(=O)NC/C=C/C2CC2)CCCCC1 1331158831 YXBGXRUPGKBVOP-VOTSOKGWSA-N 247.382 3.595 30 20 BHED C=C(C)CCC(=O)N1CCC2(CCCC2)CC1 1338067662 IPMXIFYRFRWOKN-UHFFFAOYSA-N 235.371 3.526 30 20 BHED Cc1ccc(F)cc1NCc1cc(C#N)cs1 93685164 ZPDXDHICZMHPTG-UHFFFAOYSA-N 246.310 3.679 30 20 BHED CC1(C)CCCC[C@H]1NCc1cccc(C#N)c1 94278306 YFSJMMKTKFAPAY-OAHLLOKOSA-N 242.366 3.617 30 20 BHED C=CCCCN(Cc1ccc(C#N)cc1)C(C)C 117875228 PURCEWBIDRLLCY-UHFFFAOYSA-N 242.366 3.735 30 20 BHED C=C(C)CNc1ccc([N+](=O)[O-])cc1C(F)F 122786214 AWGVNGUZLKDPPZ-UHFFFAOYSA-N 242.225 3.520 30 20 BHED C=CC[C@@H](C)N[C@@H](CC)c1ccc(F)cc1 125235771 IPURWKLBOKPRRB-RISCZKNCSA-N 221.319 3.831 30 20 BHED Cc1c(C#N)cccc1NCc1cccs1 134643680 KORLYNHWJPEDPP-UHFFFAOYSA-N 228.320 3.540 30 20 BHED C=CCC[C@@H](CCC)N[C@@H](C)c1nccs1 153431111 SFPSLCIXTWBOOI-NWDGAFQWSA-N 238.400 3.929 30 20 BHED C=CCCC(=O)N(CC)c1ccc(C)cc1C 171430358 KNLMRRCBQIYWGA-UHFFFAOYSA-N 231.339 3.623 30 20 BHED Cc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1C 185721758 XKYSTTGNUPYMTC-UONOGXRCSA-N 228.339 3.798 30 20 BHED C=CCSCc1ccccc1Br 196348999 GGNRHODSEKFAPY-UHFFFAOYSA-N 243.169 3.868 30 20 BHED CC(C)(C#N)CCCCN(CC1CC1)CC1CC1 232526782 OKJPTSPFARDIMS-UHFFFAOYSA-N 248.414 3.828 30 20 BHED Cc1cccc(C(=O)/C=C\c2cncs2)c1C 255322757 ITUHXELRSLLWCF-SREVYHEPSA-N 243.331 3.656 30 20 BHED C=CCCCCCSCc1nnc(C)s1 278397906 TVAXNGLMGGKNFL-UHFFFAOYSA-N 242.413 3.826 30 20 BHED CC[C@@]1(C)CCCN(c2ccc(C#N)cc2)C1 301471458 PHYMYIOQPBBNAB-HNNXBMFYSA-N 228.339 3.575 30 20 BHED C=C(C)CSc1ncccc1Br 306454179 YVKFJGZJFLJACJ-UHFFFAOYSA-N 244.157 3.512 30 20 BHED C#CCCCCN[C@@H](C)CCCC(C)C 308978631 HJBGKOUFVFGGNV-AWEZNQCLSA-N 209.377 3.594 30 20 BHED C=C(C)CCNC(C)(C)c1nc(C)c(C)s1 309648654 WXJDRJREBXHDLY-UHFFFAOYSA-N 238.400 3.551 30 20 BHED C[C@@H]1CN(CCCCC(C)(C)C#N)C(C)(C)C1 310044738 PPBIWZXJESJPHV-ZDUSSCGKSA-N 236.403 3.827 30 20 BHED C=CCOCCN[C@H](CC(C)C)c1ccccc1 310640323 BBDZBMUCLGRULQ-MRXNPFEDSA-N 247.382 3.566 30 20 BHED CCC(CC)c1noc(-c2ccc(C#N)s2)n1 356546063 UNLZEAKDQNQUHL-UHFFFAOYSA-N 247.323 3.573 30 20 BHED C=CCCN[C@H](C)c1c(C)cccc1C 380263566 SOEWZDFLQCNWPA-CYBMUJFWSA-N 203.329 3.530 30 20 BHED C=CCCCC[C@H](C)N[C@H]1CCC1(C)C 393732675 AUQOPUJPLWEZIP-STQMWFEESA-N 209.377 3.900 30 20 BHED C=CC[C@H](CC)N[C@H]1CCc2ccc(C)cc21 393750251 NWNNWZGWBXVFOI-HOCLYGCPSA-N 229.367 3.927 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccc(F)c(F)c1 393759502 VMCNGKWZPGKGMP-JQWIXIFHSA-N 239.309 3.970 30 20 BHED CC[C@H](NCC(C)(C)C)c1ccc(C#N)cc1 447542993 QSDHBZXWKJCMKJ-AWEZNQCLSA-N 230.355 3.645 30 20 BHED C=CCC1(C(=O)N(CC)CCCC)CCCC1 449068272 ROBYCRSNVANWOC-UHFFFAOYSA-N 237.387 3.772 30 20 BHED CC1=C(C)CN(CCCCC(C)(C)C#N)CC1 483336220 FINOXJUFJZVDEH-UHFFFAOYSA-N 234.387 3.749 30 20 BHED C=C(C)CCN1C[C@H](c2ccccc2)C[C@H]1C 509695301 GTEDFGUDQXOIEL-GDBMZVCRSA-N 229.367 3.831 30 20 BHED C=CCN1CCC[C@H]1Cc1ccccc1Cl 513386695 OUFMUTOXBFSYOJ-ZDUSSCGKSA-N 235.758 3.533 30 20 BHED C=CCCN(CCC)[C@H]1CCc2ccccc2C1 525328351 QPJJMRUZPBRLDV-KRWDZBQOSA-N 243.394 3.832 30 20 BHED C=C(C)CN1CC(C)(C)[C@H]1c1cccs1 561957093 LIINHWSKDVNXAA-GFCCVEGCSA-N 221.369 3.707 30 20 BHED CC(C)(CC#N)CSc1ccc(C#N)cc1 572618102 RHKVCFWWTYOFAB-UHFFFAOYSA-N 230.336 3.590 30 20 BHED N#CC1(CSC[C@H]2CCCCC2(F)F)CC1 596397853 YFCDBSBCKXLJMK-SNVBAGLBSA-N 245.338 3.849 30 20 BHED C[C@@H]1CCCC[C@H]1Sc1cccnc1C#N 600548295 LOERGYLHQGNJHZ-ZYHUDNBSSA-N 232.352 3.624 30 20 BHED C[C@@H](CCC#N)CN1CCC[C@@H]1c1cccs1 602432036 HOJPCNUFKOSFOB-QWHCGFSZSA-N 248.395 3.825 30 20 BHED CC[C@@H](NC[C@H](C)CCC#N)C1CCCCC1 602525613 GRPANHCWZBTWNW-UKRRQHHQSA-N 236.403 3.875 30 20 BHED CCCCN(CCC#N)[C@H](C)c1ccc(C)o1 604493527 BLGDBRCBKLREQZ-CYBMUJFWSA-N 234.343 3.665 30 20 BHED C=CCCCCN1C[C@@H](C)C(F)(F)[C@H](C)C1 625653517 SEOSCYHDKZFLNP-VXGBXAGGSA-N 231.330 3.566 30 20 BHED C=C(C)CCN1C[C@@H](C(F)(F)F)CC[C@@H]1C 681410373 QTHUJFWRHYDTCT-QWRGUYRKSA-N 235.293 3.615 30 20 BHED C#CCN(C(=O)[C@@H](C)CCCC)C1CCCCC1 688849216 KMEHSGWIGTWWBW-AWEZNQCLSA-N 249.398 3.607 30 20 BHED C[C@H](CC(C)(C)C#N)Nc1ccc(F)cc1 709989264 HXNORLNVHMVXJW-SNVBAGLBSA-N 220.291 3.566 30 20 BHED CC1(c2ccccc2)CC(=NNC2CCCC2)C1 729638843 IFRVPTBAOVNRCV-UHFFFAOYSA-N 242.366 3.626 30 20 BHED C=CCN(CC1CCCCC1)C(=O)/C=C\CCC 732662895 NEBDIFXTVGRMDK-GHXNOFRVSA-N 249.398 3.938 30 20 BHED CC(C)CON=C1CCC[C@H](C2CC2)C1 749630929 CVTACWDLZUUULJ-LBPRGKRZSA-N 209.333 3.615 30 20 BHED Cc1cccc(NN=C2CCCC2(C)C)c1 749853762 WGQDNPIJWHAJGU-UHFFFAOYSA-N 216.328 3.973 30 20 BHED CC(C)Oc1ccc(NCC2CCC2)cc1C#N 753716593 LGSBTENHDXUXPI-UHFFFAOYSA-N 244.338 3.557 30 20 BHED Cc1cccnc1NN=C1CC(C)(C)C[C@@H]1C 766035503 WMTDFLBBSVEZIP-NSHDSACASA-N 231.343 3.614 30 20 BHED C#CCC(C)(C)C(=O)Nc1ccc(CCC)cc1 767048189 UEULYTKXNOVZBS-UHFFFAOYSA-N 243.350 3.627 30 20 BHED C[C@@H]1CCC[C@H](C=NNc2ccccc2)C1 768357078 HJCBAXMOYOAZLY-OLZOCXBDSA-N 216.328 3.911 30 20 BHED Cc1ccccc1/C=C\C(=O)c1sccc1O 771744202 JUZTWJADJZSQAA-SREVYHEPSA-N 244.315 3.658 30 20 BHED C#CCCCCC(=O)OCc1cc(C)cc(C)c1 773630912 URAOCLXBRAMUFU-UHFFFAOYSA-N 244.334 3.540 30 20 BHED C[C@H]1CC/C(=C\C(=O)OCCCC(C)(C)C#N)C1 784071161 OCNUAVZXJZJFCE-CVCOIXHCSA-N 249.354 3.606 30 20 BHED CC[C@H](C)NN=C(C)c1ccc(OC(C)C)cc1 790189950 STOBKUSVQKHYSK-LBPRGKRZSA-N 248.370 3.586 30 20 BHED CC[C@@H]1CC[C@@H](C)CC1=NOCC(F)(F)F 797401275 GSSQVALOEWFSLH-RKDXNWHRSA-N 237.265 3.768 30 20 BHED C=C(C)COC(=O)c1oc2ccc(F)cc2c1C 806256620 MGZCTUTUFSFAKF-UHFFFAOYSA-N 248.253 3.613 30 20 BHED Cc1[nH]c2ccccc2c1C=NOC/C=C/Cl 811671264 PPANRRFTCUWKPC-ZJPUZTQDSA-N 248.713 3.579 30 20 BHED C#CCON=Cc1sc2ccccc2c1Cl 812233948 JSBAGQVNHPQAKA-UHFFFAOYSA-N 249.722 3.538 30 20 BHED C=C(Cl)CN1CCC[C@@H](c2ccccc2)C1 814642538 RGCWDWNHKFBJEU-CQSZACIVSA-N 235.758 3.619 30 20 BHED C=CCCCCC(C)=NNc1ccc(C)cn1 834954937 YLTUAYNNNMWUJU-UHFFFAOYSA-N 231.343 3.924 30 20 BHED C[C@@H]1CCCCN1N=Cc1ccc(Cl)s1 853378917 AQXUDYXKINYNTN-SECBINFHSA-N 242.775 3.610 30 20 BHED Cc1cc(Cl)cc(C#N)c1OC/C=C\Cl 1189561139 QZIRSRXVZIPLJS-IHWYPQMZSA-N 242.105 3.651 30 20 BHED C[C@H](N[C@H]1CC[C@H](C#N)C1)C1CCCCCC1 1193262091 ZDBMAFXHZOCDQY-YDHLFZDLSA-N 234.387 3.627 30 20 BHED C=C(CC)C(=O)N(Cc1ccccc1)[C@@H](C)CC 1351152414 JJQTYSAIEIDQOU-AWEZNQCLSA-N 245.366 3.780 30 20 BHED CCc1ccc(CNc2cccc(C#N)c2)cc1 19921939 DWAOWPJAIBORFR-UHFFFAOYSA-N 236.318 3.733 30 20 BHED N#Cc1cc(Cl)ccc1NC[C@H]1CC=CCC1 52859757 TYDKFISQYMTFPL-NSHDSACASA-N 246.741 3.980 30 20 BHED CC(C)[C@H](NCC#N)c1ccc(C(C)(C)C)cc1 78515942 VNHNUXHSQGDEIB-HNNXBMFYSA-N 244.382 3.794 30 20 BHED CCNc1ccccc1S[C@@H](C)CC#N 89105170 CCUJWXOZAYQUEJ-JTQLQIEISA-N 220.341 3.513 30 20 BHED C#CCCCCN[C@@H]1CC(C)(C)Cc2occc21 90398967 FXXZNOLMILLFEA-CQSZACIVSA-N 245.366 3.686 30 20 BHED CC(C)CCN(CCC#N)Cc1ccsc1 93100943 NZEDLYWVQRYMDC-UHFFFAOYSA-N 236.384 3.510 30 20 BHED O=C1/C(=C/c2cccs2)Cc2cc(F)ccc21 114992333 LOQUXRCFLHNMTF-CSKARUKUSA-N 244.290 3.710 30 20 BHED C=CCN(C)[C@@H](C)c1sc(C(C)C)nc1C 120972918 GSFAKVJSTMABGF-NSHDSACASA-N 238.400 3.754 30 20 BHED C=C[C@@H](CC(=O)N(CC)C(C)C)c1ccccc1 157050725 DYOZINDMKMCWOH-AWEZNQCLSA-N 245.366 3.603 30 20 BHED C=C(Cl)CN[C@@H](c1cccs1)C1CC1 162085089 ACKUMHXARFDBAG-LLVKDONJSA-N 227.760 3.541 30 20 BHED C=CC[C@@H](C)NCc1cccc(C2CC2)c1 169110949 VAMJJUXVWBNYQR-GFCCVEGCSA-N 215.340 3.618 30 20 BHED C=CCCCC(=O)Nc1cccc(C(F)F)c1 177798894 JEIHPRMLUHQCTF-UHFFFAOYSA-N 239.265 3.919 30 20 BHED C=C(CC)CNc1ccc(C#N)cc1Cl 222823170 BOMCNTWSUYOWQO-UHFFFAOYSA-N 220.703 3.590 30 20 BHED C=CCCCCCSCCOCC 308199328 WQMIZTHFVJNBHU-UHFFFAOYSA-N 202.363 3.503 30 20 BHED CC[C@H](C)CSc1nc(Cl)c(C#N)s1 308525445 ISSYJEXFBVPCHU-LURJTMIESA-N 246.788 3.806 30 20 BHED C=C(Cl)CN[C@@H]1C[C@@H](C)CC[C@@H]1CC 308738712 NCSFAPQNEUOKDQ-ZMLRMANQSA-N 215.768 3.543 30 20 BHED C=CCC[C@H](CCC)NC[C@@H](C)C(F)(F)F 310004329 FYSUSTGLDVHVOT-MNOVXSKESA-N 237.309 3.909 30 20 BHED C=CCCCCCCNCc1cnccc1C 310333877 ZLUWUGGNLCVDRX-UHFFFAOYSA-N 232.371 3.616 30 20 BHED CCN(CCC#N)C[C@@H](c1ccccc1)C(C)C 353385989 VEWZLYMARWRRLG-MRXNPFEDSA-N 244.382 3.662 30 20 BHED C#CCCCN[C@@H]1CCC[C@H]1CCC(C)C 381144147 NFLBTBXLWQMLNE-LSDHHAIUSA-N 221.388 3.594 30 20 BHED C=CCN(CC=C)CCCc1ccccc1C 440310449 DJOWCZPOYXWKGV-UHFFFAOYSA-N 229.367 3.602 30 20 BHED C=CCC[C@H](C)Nc1ccccc1OCCF 449385261 DZJZZXXDGIBNAA-LBPRGKRZSA-N 237.318 3.802 30 20 BHED C=C(C)CCNCc1cc2c(C)cc(C)cc2[nH]1 449480411 YKHXOBQKVMHINH-UHFFFAOYSA-N 242.366 3.841 30 20 BHED C=C(CC)CN[C@@H](C)CCc1ccsc1 449733086 GDMGJWOSVQZRFG-LBPRGKRZSA-N 223.385 3.625 30 20 BHED C=CCC(C)(C)C(=O)NC[C@@H]1CCC[C@@H]1CC 452535061 WDPXAJIMFMZBBN-STQMWFEESA-N 237.387 3.531 30 20 BHED C=C(CC)CN[C@@H](C)c1cc(C)c(C)o1 453346801 GDIYQBJPBUITFQ-NSHDSACASA-N 207.317 3.513 30 20 BHED C=CCC1(NC(=O)c2ccccc2)CCCCC1 456390883 ZKMAJWGTSDFFSD-UHFFFAOYSA-N 243.350 3.695 30 20 BHED C=CCCCCCN(C)C(=O)[C@@H]1CC12CCCC2 473897271 VNIPBIWYUXBRIG-AWEZNQCLSA-N 249.398 3.772 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@H](CC)CCCC 489745745 XGWKUALDMXIFBE-ZDUSSCGKSA-N 239.403 3.921 30 20 BHED C=CCCCSc1ccc(OC)cc1 522747467 GRVHQROCDOBGBO-UHFFFAOYSA-N 208.326 3.754 30 20 BHED C=CCCN(C)[C@H](C)c1ccc(C)cc1C 525329302 VDNBOTLFIHHTJZ-CQSZACIVSA-N 217.356 3.872 30 20 BHED C=C(C)CN(CC)Cc1ccc2cc[nH]c2c1 529517495 PIKHEVMRSOOZTC-UHFFFAOYSA-N 228.339 3.566 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1c(C)cccc1C 539436120 LXLNAPJPLBACTL-CQSZACIVSA-N 245.366 3.778 30 20 BHED C=C(CC)COc1ccc(SC)cc1 540202118 JYBYKOUNMJULKH-UHFFFAOYSA-N 208.326 3.754 30 20 BHED C[C@@H](c1ccc(C#N)cc1)N(C)C[C@@H]1CC1(C)C 595911380 FZRCZINQWQCXSR-WFASDCNBSA-N 242.366 3.597 30 20 BHED C[C@H]1CCCC[C@@H]1CSCCCC#N 596375645 DRVXEEOQLCHKFS-NWDGAFQWSA-N 211.374 3.850 30 20 BHED N#Cc1cccc(CSCC2CC=CC2)c1 596413533 SXGAZDXWFRMYLB-UHFFFAOYSA-N 229.348 3.758 30 20 BHED C[C@@H](CCC#N)CN(C1CC1)[C@H](C)c1ccco1 602455816 URRWLTFXDZFJIV-QWHCGFSZSA-N 246.354 3.745 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 611386595 PDYZSPOMNKQOSU-OLZOCXBDSA-N 228.339 3.564 30 20 BHED C=CCN(C(=O)[C@H]1CCC[C@H](C)C1)C(C)(C)C 622944481 URNAVBVZAARBEV-STQMWFEESA-N 237.387 3.626 30 20 BHED C=CCC[C@H](CC)NCCCOC(C)(C)C 658184466 HZPUPIHSPNPUKM-ZDUSSCGKSA-N 227.392 3.526 30 20 BHED O=C(/C=C/c1ccccc1Cl)c1cncs1 735792580 HATBTZUGFLTIOS-AATRIKPKSA-N 249.722 3.693 30 20 BHED CCCCC(C)=NNc1ccc(OC)cc1 750922066 MPPVIKPRCXUMDT-UHFFFAOYSA-N 220.316 3.673 30 20 BHED CCC[C@@H](C=NOCC)c1ccccc1 769569187 FHWYBRFMPHUROG-ZDUSSCGKSA-N 205.301 3.593 30 20 BHED C[C@@H]1C[C@@H]1C=NNc1c(F)cccc1Cl 769830242 XKHCPKNYVZZWCT-HTQZYQBOSA-N 226.682 3.533 30 20 BHED C#CCCCCN[C@H]1CC(C)(C)c2ccccc21 773039272 DPIIPVSFBOBRPV-INIZCTEOSA-N 241.378 3.802 30 20 BHED Cc1cc(C)c(C=NN[C@H]2CCCCC2(C)C)[nH]1 773126328 SINJPRKUXZVJRB-AWEZNQCLSA-N 247.386 3.524 30 20 BHED C#CCCN[C@H](c1ccccc1)C(CC)CC 775130259 NTFMPTIUUXERTN-INIZCTEOSA-N 229.367 3.777 30 20 BHED Cc1cc(C)cc(C=NOCCC(F)(F)F)c1 777462709 ILOGVHMRZKHEFZ-UHFFFAOYSA-N 245.244 3.606 30 20 BHED CCCCCC[C@@H](C)NN=Cc1ncccc1C 781592149 BUULFRSAKUUWRD-CQSZACIVSA-N 247.386 3.672 30 20 BHED C=CCNN=C1C[C@H](C)C[C@@H](c2ccccc2)C1 794999624 NVFUKLAXVBMJLA-UKRRQHHQSA-N 242.366 3.722 30 20 BHED C#Cc1ccc(CNc2cc(F)ccc2F)cc1 809634459 DJZNOVSQVRWIMW-UHFFFAOYSA-N 243.256 3.558 30 20 BHED C=CCCCCCCCN[C@@H](C)c1cnccn1 810242856 IGKPUVDDCRZCCL-AWEZNQCLSA-N 247.386 3.654 30 20 BHED C=CCCCCOC(=O)c1cscc1C 811011365 UCORIMITEHLLNE-UHFFFAOYSA-N 224.325 3.570 30 20 BHED C#CCON=C1CCC(C(C)(C)CC)CC1 812236304 LEIGGDHDJAGALI-UHFFFAOYSA-N 221.344 3.619 30 20 BHED CC(C)CON=C[C@H](C)c1cc(F)cc(F)c1 834966951 VYDGCVNFYIYKHK-JTQLQIEISA-N 241.281 3.727 30 20 BHED CCC(=NNc1cc(F)ccc1C)C1CC1 853393593 MKVBTPROINEUOA-UHFFFAOYSA-N 220.291 3.722 30 20 BHED CC(C)=CCC[C@H](C)CC=NNc1cnccn1 912962421 VXCURXOREGNZRV-ZDUSSCGKSA-N 246.358 3.647 30 20 BHED CCCOc1ccc(C=NOC(C)(C)C)cc1 1319804078 XAFJFSXAROZKMC-UHFFFAOYSA-N 235.327 3.624 30 20 BHED Cc1ccc(SCC2(CC#N)CC2)s1 1330285480 YHFFJUVRLWWGCZ-UHFFFAOYSA-N 223.366 3.843 30 20 BHED CC(C)(C#N)CCCn1cnc(C(C)(C)C)c1 1335490181 JUTGCUHSDQCTPU-UHFFFAOYSA-N 233.359 3.511 30 20 BHED C=C(C)CCC(=O)N1CCC[C@H](C(C)C)CC1 1338404031 PGBKOTWCJINFAL-AWEZNQCLSA-N 237.387 3.627 30 20 BHED C=C(Cl)CN(C)[C@@H]1CCCC[C@H]1CC 1473388577 LFKDZGZLGACJCL-VXGBXAGGSA-N 215.768 3.640 30 20 BHED CC(C)(C#N)CCCNc1cccc(F)c1 83640736 QUMOYUDCVQMWLF-UHFFFAOYSA-N 220.291 3.568 30 20 BHED C=CCC[C@H](NCC1(C2CC2)CC1)C1CC1 90772818 CJCXVAPCOFKJTE-AWEZNQCLSA-N 219.372 3.511 30 20 BHED C#CCCCCNC(=O)C[C@H]1CCCCC1(C)C 122744874 VAMBRQVRIZKHDL-CQSZACIVSA-N 249.398 3.513 30 20 BHED C=CCC[C@@H](C)Nc1ccc(CN(C)C)cc1 130600984 DDNURMRESXFCRR-CYBMUJFWSA-N 232.371 3.515 30 20 BHED Cc1ccc(/C=N/OCCCC(C)(C)C#N)cc1 135477574 WWMDCOSWAADXBB-GZTJUZNOSA-N 244.338 3.676 30 20 BHED C[C@H]1Sc2ccccc2N(CCCC#N)[C@@H]1C 161222090 RYTDGELVVZDNOE-VXGBXAGGSA-N 246.379 3.679 30 20 BHED C#CCCCCC(=O)Nc1ccsc1Cl 187889968 OEERXNCGYRGGTF-UHFFFAOYSA-N 241.743 3.534 30 20 BHED C=C[C@H](C)NC1CC(c2ccccc2Cl)C1 229323529 AEOOOGXENMVEFM-UNXYVOJBSA-N 235.758 3.750 30 20 BHED CS[C@H]1CCC[C@@H](Nc2cccc(C#N)c2)C1 235174505 ZBGUQFMPSOQPAP-KGLIPLIRSA-N 246.379 3.644 30 20 BHED C[C@@H]1CC[C@@H](NCCCC#N)c2ccccc21 273277041 PNRAZIGNXAIRFB-IUODEOHRSA-N 228.339 3.518 30 20 BHED C=CC[C@@H](CC)N[C@@H]1CCCC(C)(C)C1 309222307 VKUHQNXGLQIBLB-CHWSQXEVSA-N 209.377 3.900 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1ccccc1 310506506 STHUQKXNEVPOKF-CYBMUJFWSA-N 217.356 3.940 30 20 BHED C[C@@H]1CCCC[C@H]1Nc1cccc(CC#N)c1 313421848 CKTXNNHVYVTFQZ-IUODEOHRSA-N 228.339 3.743 30 20 BHED C=CC(C)(C)CN[C@H](C)c1sccc1C 385437090 GMASRHVQDLHSDZ-LLVKDONJSA-N 223.385 3.919 30 20 BHED CC(C)=CCN(C)[C@H](C)c1cccc(C#N)c1 425366340 PKEZJGQZZUEQEX-CYBMUJFWSA-N 228.339 3.517 30 20 BHED C=CCCCCCS[C@@H]1CCO[C@H]1C 447291822 ZIDNRQJUAFFKBF-NWDGAFQWSA-N 214.374 3.643 30 20 BHED CC(C)CC[C@@H]1CC[C@H](NCC(C)(C)C#N)C1 449241022 QNXMEIAQZRJRDD-KGLIPLIRSA-N 236.403 3.731 30 20 BHED C=CCCCC(=O)N(CC1CCCCC1)C1CC1 479568968 RAWKPZLTAVQKSK-UHFFFAOYSA-N 249.398 3.914 30 20 BHED N#Cc1cccnc1/C=C/c1cccc(Cl)c1 486098845 ARDYOTUZZAVDPR-VOTSOKGWSA-N 240.693 3.777 30 20 BHED CCC(C#N)(CC)c1nc(C2CCCCC2)no1 528082623 XDDNLYCJWDYCOB-UHFFFAOYSA-N 247.342 3.699 30 20 BHED C=CCCC[C@H](C)NC(=O)CCC(C)(C)C 539431176 WZQDOTKWSTXANT-LBPRGKRZSA-N 225.376 3.674 30 20 BHED CC(C)(CC#N)CSc1ccc(Cl)cn1 584480819 PHKYWNZDQQGQFS-UHFFFAOYSA-N 240.759 3.767 30 20 BHED C=C1CCN(C(=O)CCCC2CCCCC2)CC1 591091468 IKQRHHWUFJQXJO-UHFFFAOYSA-N 249.398 3.916 30 20 BHED CC(C)CC1(N[C@@H](C)c2cccc(C#N)c2)CC1 595095830 QEUSDBTWLMIGOS-ZDUSSCGKSA-N 242.366 3.788 30 20 BHED N#C[C@H](Sc1ccc(Cl)c(F)c1)C1CC1 601086190 PAGKXCPMDLVQDT-NSHDSACASA-N 241.718 3.873 30 20 BHED Cc1ccccc1[C@@H](C)N[C@@H]1CCC[C@@H](C#N)C1 601303835 IBOBNKCFVJVMET-RBSFLKMASA-N 242.366 3.728 30 20 BHED CCN(Cc1ccccc1C)C[C@H](C)CCC#N 602441858 YZPDOLYRIYKTKY-CQSZACIVSA-N 244.382 3.757 30 20 BHED C=CCN(C(=O)CCC1CCCC1)C(C)(C)C 622942287 CZNIONONWYZBFC-UHFFFAOYSA-N 237.387 3.770 30 20 BHED C=CC[C@H](C(=O)N[C@H](C)CCC)c1ccccc1 681641329 FATVIAAPLVVRLK-HIFRSBDPSA-N 245.366 3.651 30 20 BHED C#CCCOC(=O)[C@@H](CCC)CC1CCCC1 733683343 VCEZKJILTUBPRL-AWEZNQCLSA-N 236.355 3.550 30 20 BHED N#Cc1ccc(NN=CC2CCCCCC2)cc1 741848278 RWYCBJPSFZMNEB-UHFFFAOYSA-N 241.338 3.926 30 20 BHED C=C(C)CNc1cccc(Oc2ccccn2)c1 742463993 DKWOYIOKERGMKC-UHFFFAOYSA-N 240.306 3.862 30 20 BHED CC(=NNc1ccc(F)cc1C)C(C)C 750938404 GYCVEQWWNITGSD-UHFFFAOYSA-N 208.280 3.578 30 20 BHED CCCCCCCC(=O)N[C@H](C)CC(C)C 752229203 HNLCGIVELRTUSQ-CYBMUJFWSA-N 227.392 3.898 30 20 BHED C=CC[C@H](N[C@H]1CCC(C)(C)C1)c1ccncc1 753669720 NJIUBCGQAOBJQO-GJZGRUSLSA-N 244.382 3.867 30 20 BHED CCC(Cc1ccccc1)=NO[C@H]1CCCCO1 755822943 WIELSPZRAHFLKY-HNNXBMFYSA-N 247.338 3.538 30 20 BHED C=C(C)CN(CC)C[C@@H]1CCc2ccccc21 780287558 MSGFWCATEWWGGG-HNNXBMFYSA-N 229.367 3.614 30 20 BHED CC1(C)CCC(=NNc2ccc(F)cc2)C1 783784197 QSSQPLROEAYOIK-UHFFFAOYSA-N 220.291 3.804 30 20 BHED C=C[C@](C)(CC)C(=O)OCc1csc(C)c1 809237405 ZQTFOJUSELHKBR-CYBMUJFWSA-N 238.352 3.702 30 20 BHED CCC[C@@H](C)c1noc(CCCCCC#N)n1 809359489 PESULMGTFXFOAV-LLVKDONJSA-N 235.331 3.600 30 20 BHED c1ccc(NN=C2CCCCC23CCCC3)nc1 814731821 KUQVBIKZZWFSGK-UHFFFAOYSA-N 243.354 3.984 30 20 BHED CCCCCCCCN[C@@H](C)c1c[nH]ccc1=N 817914541 ZNQSJWSWNKGVEK-ZDUSSCGKSA-N 249.402 3.505 30 20 BHED CCCCCCCC(=O)NCCC(C)(F)F 833078068 FFLNFCQJBPTDMP-UHFFFAOYSA-N 235.318 3.508 30 20 BHED C=CC(C)(C)C(=O)Oc1ccc(Cl)cc1F 839225722 YDHGGYZEAICAOH-UHFFFAOYSA-N 242.677 3.597 30 20 BHED C#CCCCCCC(=O)N[C@H](CC)[C@@H]1CC1(C)C 841363169 UNZWHEMIIHXMFL-UONOGXRCSA-N 249.398 3.511 30 20 BHED C#CCCCOc1ccc2ccccc2c1OC 842071261 XPUSCKBHIYSTEL-UHFFFAOYSA-N 240.302 3.641 30 20 BHED CC(C)=CCC[C@H](C)CC(=O)O[C@@H](C#N)C1CC1 842727816 VSFZXFCMBNRFPN-JSGCOSHPSA-N 249.354 3.604 30 20 BHED C=C(C)CON=C[C@@H](OC(C)C)c1ccccc1 844620713 ZNNLEIJMWHGFGF-OAHLLOKOSA-N 247.338 3.731 30 20 BHED N#C[C@@H](OC(=O)CCC1CCCCCC1)C1CC1 847655181 ZAHQWXOXEJWDEN-CQSZACIVSA-N 249.354 3.582 30 20 BHED C=C[C@@H](CC)OC(=O)c1ccsc1Cl 853113716 KIPGRLMLCZDWAR-ZETCQYMHSA-N 230.716 3.523 30 20 BHED C=CC[C@H]1CCCN(c2nc(Cl)cs2)C1 858624892 MKZXSYKLYDTKMM-VIFPVBQESA-N 242.775 3.589 30 20 BHED C=C1CCC(C(=O)N2[C@H](C)CCC[C@H]2C)CC1 887913762 ZBNFDNMJBUUDBU-CHWSQXEVSA-N 235.371 3.522 30 20 BHED C[C@H]1CCCC(=NNc2cccc([N+](=O)[O-])c2)C1 916269020 LZVJOPXASAMDEG-JTQLQIEISA-N 247.298 3.573 30 20 BHED Cc1ccc(C=NNc2cccc(F)c2)cc1C 920385801 HKKFJRIKPBQAAA-UHFFFAOYSA-N 242.297 3.889 30 20 BHED CC(C)(C#N)CCCCN1C[C@H]2CCC[C@H]1C2 934378140 PCWXDQOOQRUYDP-KBPBESRZSA-N 234.387 3.581 30 20 BHED C[C@@H](CCC#N)N1CC[C@H](C)C2(CCCCC2)C1 1169542336 ZMUAIUBHGLPUCI-GJZGRUSLSA-N 248.414 3.971 30 20 BHED CC[C@@H]1CCCC[C@@H]1Nc1cc(C)c(C#N)cn1 1611783247 IULHGIVQINZAFT-OCCSQVGLSA-N 243.354 3.642 30 20 BHED CC(C)c1cccc(Nc2ccnc(C#N)c2)c1 61814911 SSOKNEMBCIEADX-UHFFFAOYSA-N 237.306 3.820 30 20 BHED C[C@@H](N(C)c1cccc(F)c1C#N)C(C)(C)C 78597899 FUBKTSDVNRTYMA-SNVBAGLBSA-N 234.318 3.568 30 20 BHED C[C@H]1CCC[C@H](N(C)CCCC(C)(C)C#N)C1 87608566 ANSUHDDKIZBYGJ-KBPBESRZSA-N 236.403 3.827 30 20 BHED C=CCCC(=O)Oc1cccc2ccccc12 102212456 CIXWWFYHDMYESI-UHFFFAOYSA-N 226.275 3.711 30 20 BHED C=CCSc1ncc(C(C)C)n1C(C)C 128912228 UHQHLNSEQZQUDV-UHFFFAOYSA-N 224.373 3.866 30 20 BHED C=CC[C@@H](C)N[C@H](CC)Cc1ccccc1 161638165 YDMFTTRVWXJKKM-UKRRQHHQSA-N 217.356 3.562 30 20 BHED C#CCCCC(=O)NCC(C)(C)CCCCC 192149704 OGKOLSWPXMCDQM-UHFFFAOYSA-N 237.387 3.513 30 20 BHED C[C@@H]1CCC[C@H](NCC(C)(C)CCC#N)[C@@H]1C 229670273 USCDIINTVDHXAL-MCIONIFRSA-N 236.403 3.731 30 20 BHED N#CCCCc1nc(C2CCCCCCC2)no1 236175971 ZQCJGXKMNZEORC-UHFFFAOYSA-N 247.342 3.744 30 20 BHED C=C(C)CN(C)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 245560139 WPAWRHSKAXLBNR-QLFBSQMISA-N 249.398 3.627 30 20 BHED C=CCCOc1ccc(Cl)cc1Cl 303764920 FXVKWXUBKSIKSD-UHFFFAOYSA-N 217.095 3.948 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)CCC1CC1 308896898 ZUIKNQOQVMVYKF-OLZOCXBDSA-N 209.377 3.900 30 20 BHED C=C(CC)CNc1cc(OC)c(C)cc1C 309746391 FRQHTXJHGPJLBZ-UHFFFAOYSA-N 219.328 3.690 30 20 BHED C=C[C@H](C)N[C@@H](CC)c1cc(Cl)ccc1O 310006987 HCAGOPXCIWZOJL-CABZTGNLSA-N 239.746 3.661 30 20 BHED Cc1c2c(nc3sccc13)CC[C@@](C)(C#N)C2 334597264 JGPCTCXSEFCPTF-CQSZACIVSA-N 242.347 3.623 30 20 BHED C=CCCSC[C@@H](OC)c1ccccc1 339090086 CVBTWRZILOSUEM-CYBMUJFWSA-N 222.353 3.683 30 20 BHED CCCC1(CNc2ncc(C#N)cc2Cl)CC1 347193102 JBBGWYNFOKCYDM-UHFFFAOYSA-N 249.745 3.599 30 20 BHED C/C(=C/Cl)CSCCC(C)(C)C#N 388577775 CKSYVXBTECRHCW-TWGQIWQCSA-N 217.765 3.802 30 20 BHED C=CCCCC[C@@H](C)N[C@@H]1CCC1(C)C 393732670 AUQOPUJPLWEZIP-CHWSQXEVSA-N 209.377 3.900 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccc([N+](=O)[O-])cc1 393791284 ZCKOALYSDJVHCN-DGCLKSJQSA-N 248.326 3.600 30 20 BHED C=CCC1(C(=O)N2CCC=C(C)C2)CCCCC1 451407416 WKVSISCRQCVJQX-UHFFFAOYSA-N 247.382 3.692 30 20 BHED C=CCC1(NC(=O)c2cccs2)CCCCC1 456368723 BAEKSEZXVHOHIZ-UHFFFAOYSA-N 249.379 3.757 30 20 BHED CC#CCCN(CC)[C@@H](CC)c1ccccc1 462311561 BWTIUNSNFYCTIZ-INIZCTEOSA-N 229.367 3.873 30 20 BHED C=CCC[C@H](C)N[C@@H]1C[C@H](OC(C)C)C1(C)C 463580118 VIZWCOQFPPMCFU-MJBXVCDLSA-N 239.403 3.523 30 20 BHED C=CCSCC[C@@H](C)OCc1ccccc1 479523852 AGHGLIGSYVGCKY-CYBMUJFWSA-N 236.380 3.901 30 20 BHED CCC(CC)CN(CCC#N)[C@H]1C=CCCC1 484926439 OCMJSZNAHXHTGZ-HNNXBMFYSA-N 234.387 3.747 30 20 BHED Cc1ccoc1CNc1c(Cl)cccc1C#N 488695891 AQTVNYHJEBLTTC-UHFFFAOYSA-N 246.697 3.725 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@H]1CC12CCCCC2 489933048 IWFFXAVRYBERFP-ZDUSSCGKSA-N 249.398 3.675 30 20 BHED COc1ccccc1SCC(C)(C)CC#N 594886777 ATCCRFYCJVBPBW-UHFFFAOYSA-N 235.352 3.727 30 20 BHED C=C(CC)CNc1ccc(C)c(NC(C)=O)c1C 678611508 QQLOLCHRXLUOIK-UHFFFAOYSA-N 246.354 3.640 30 20 BHED CCC[C@@H](C)C(CC)=NNC1CCCC1 748250919 FXHQNTWQSFNQGD-LLVKDONJSA-N 210.365 3.721 30 20 BHED C=C(CC)COC(=O)c1sccc1SC 773518039 VFMPRWQUBPDSDP-UHFFFAOYSA-N 242.365 3.593 30 20 BHED Cc1ccc(N(CC2(C#N)CC2)C(C)C)cc1 775981429 AGFHBXSXCGPJAI-UHFFFAOYSA-N 228.339 3.514 30 20 BHED CCCC(CC)=NNc1cccc(C)c1 776183108 IGSKYGUDPPIYDL-UHFFFAOYSA-N 204.317 3.973 30 20 BHED CC[C@@H]1CCC[C@H](C=NO[C@@H]2CCCCO2)C1 783861535 FBVJBSPUYPSZSR-HZSPNIEDSA-N 239.359 3.732 30 20 BHED Fc1ccc(NN=CCC2CCCCCC2)nc1 799110527 ZEYHMUHUTBIYDH-UHFFFAOYSA-N 249.333 3.979 30 20 BHED C=CCC1(c2nc([C@H](C)CCC)no2)CCC1 809358291 BGKAHVFCMQFKLX-LLVKDONJSA-N 234.343 3.971 30 20 BHED Cc1ccc2[nH]cc(C=NOC/C=C/Cl)c2c1 811669241 YNBAZPJNJCJSID-RNXBRRGWSA-N 248.713 3.579 30 20 BHED CC(C)OCCON=C1CCC(C(C)C)CC1 812239246 QZCCTDJMSILYIW-UHFFFAOYSA-N 241.375 3.630 30 20 BHED CCOc1ccc(NN=C(C)c2ccco2)cc1 814983721 OHBSPRNMTPNFKE-UHFFFAOYSA-N 244.294 3.514 30 20 BHED C[C@@H](CC(C)(C)C#N)OC(=O)C1=CCCCCC1 851205549 HPQCJGOPTDGOIR-LBPRGKRZSA-N 249.354 3.748 30 20 BHED C=CCC1(NC(=O)/C(C)=C(/C)CC)CCCC1 855927757 YITDEDVLOTYADR-SEYXRHQNSA-N 235.371 3.738 30 20 BHED CCCSCC(C)=NNc1ccccc1 901122701 FMZZGIAXOVBKDA-UHFFFAOYSA-N 222.357 3.618 30 20 BHED C=C(C)CCC(=O)Nc1cccc(C)c1C 1120474982 OPDIQEKDHFUMFY-UHFFFAOYSA-N 217.312 3.598 30 20 BHED C=C1CCC(C(=O)N2CCC[C@@H]2CCC)CC1 1120794636 FSKZTQAFSKGFAN-AWEZNQCLSA-N 235.371 3.524 30 20 BHED C=C(CC(C)C)C(=O)Nc1ccc2[nH]ccc2c1 1123591124 ZOODZEDVQMFMMU-UHFFFAOYSA-N 242.322 3.709 30 20 BHED C=C(CC)C(=O)N1C[C@@H](C)C[C@H]1c1ccccc1 1521574074 ACHXOLILZVQYKI-WFASDCNBSA-N 243.350 3.562 30 20 BHED CC1(C)CCC(CN2CCC[C@@](C)(C#N)C2)CC1 1645005804 SVZJASWMXWMPCZ-INIZCTEOSA-N 248.414 3.828 30 20 BHED CCCC[C@H](CCC)Nc1ncc(C#N)cc1F 1655220101 WJRVYLNEJNXTEW-LBPRGKRZSA-N 249.333 3.863 30 20 BHED CCCCCCCCCNC(=O)CC(C)C 3162384 OOGSLNVVWWPSSH-UHFFFAOYSA-N 227.392 3.899 30 20 BHED CCc1cccc(OCCCC(C)(C)C#N)c1 57713444 OBCNEKUGDDPTDF-UHFFFAOYSA-N 231.339 3.958 30 20 BHED C[C@@H]1CC[C@@H](Nc2ccc(CC#N)cc2)[C@H](C)C1 85097834 CLSSUNMUTPZRPT-XJKCOSOUSA-N 242.366 3.989 30 20 BHED C=C(C)COc1ccc(Br)cc1F 98069955 OAVHRHUIUBJPRW-UHFFFAOYSA-N 245.091 3.543 30 20 BHED CCN(CCC(C)(C)C#N)[C@@H]1CCCC[C@@H]1C 120056203 BSCCZHHWLKAMHM-UONOGXRCSA-N 236.403 3.827 30 20 BHED C=CCN(C)Cc1cc2ccccc2s1 121227765 VJIUSSSAZCPHMB-UHFFFAOYSA-N 217.337 3.519 30 20 BHED C=CCC[C@H](NC[C@]1(C)CCCS1)C1CC1 121655429 ZKKBIMLVOXGRJW-KBPBESRZSA-N 239.428 3.607 30 20 BHED Cc1cc(NCc2ccc(C#N)s2)ccc1F 122575827 OUCKAHFUEXTRBU-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C=CCC[C@H](NC(=O)CC(C)C)c1ccccc1 134007888 YWAOSUICURAPNE-HNNXBMFYSA-N 245.366 3.856 30 20 BHED C=CCC[C@@H](C)NCc1ccc(C)c(F)c1 134911613 GXXWSGYQGRCRDG-GFCCVEGCSA-N 221.319 3.578 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 136203451 YADPAERBUIEPSA-NXEZZACHSA-N 209.720 3.565 30 20 BHED C=CCCCC(=O)Nc1cccc(COCC)c1 175518758 LUNKDZQVRRPVSU-UHFFFAOYSA-N 247.338 3.518 30 20 BHED Cc1cccc([C@H](NCCCC#N)C(C)(C)C)c1 180800897 PXAWSOKANNWFAK-HNNXBMFYSA-N 244.382 3.976 30 20 BHED C=CCC[C@@H](C(=O)NCCCC)c1ccccc1 189408816 KELLLADPNNUPEU-OAHLLOKOSA-N 245.366 3.653 30 20 BHED N#C[C@H]1CCC[C@@H](Nc2cccc(Cl)c2)C1 193088601 IWDGGLORWXGKDO-CMPLNLGQSA-N 234.730 3.834 30 20 BHED CC(C)=CCC[C@@H](C)CCNC[C@H](C)C#N 193312659 ZXLCRGUKVHJGRD-ZIAGYGMSSA-N 222.376 3.508 30 20 BHED C=CCCCCCn1cnc2ccccc21 232593039 GNBXIOBAMMIFKZ-UHFFFAOYSA-N 214.312 3.783 30 20 BHED C[C@@H]1CCN(CCCCC(C)(C)C#N)[C@H](C)C1 300120874 QVXSDRBRJPKALM-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED OC(=Nc1ccc2ccoc2c1)[C@@H]1CCCCO1 329820450 GLEBOLDKDWCZER-LBPRGKRZSA-N 245.278 3.590 30 20 BHED CCC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1 349322042 LKDSQNQXFZVZEC-BPUTZDHNSA-N 242.366 3.810 30 20 BHED N#CCCCCNC1CCC2(CCCC2)CC1 352835008 NIOPRGIZKMSMDT-UHFFFAOYSA-N 234.387 3.773 30 20 BHED C=CCCOCCNCCC1CCCCCC1 394598743 ZGPPNSLHXFLUIA-UHFFFAOYSA-N 239.403 3.529 30 20 BHED CC(C)(CC#N)CNCc1cccc(C2CC2)c1 421375216 CDJSKSKUIBXOAL-UHFFFAOYSA-N 242.366 3.593 30 20 BHED C=CCC1(CN[C@H](C)c2cccnc2)CCCC1 453376081 PITXUTZZNVCKLF-CQSZACIVSA-N 244.382 3.869 30 20 BHED CC(C)[C@@H]1CCC[C@H](N[C@@H]2CC[C@H](C#N)C2)CC1 471597528 FJWJPICYSOWFDW-XUWVNRHRSA-N 248.414 3.873 30 20 BHED C=CC1CCN(C(=O)[C@@H]2CCCC[C@@H]2CC)CC1 475927632 TZBCNUBLSVWFTC-LSDHHAIUSA-N 249.398 3.627 30 20 BHED C=CC[C@@H](CC)NC(=O)Nc1ccc(C)c(C)c1 500104287 NWCXJGFQKSUDMT-CYBMUJFWSA-N 246.354 3.780 30 20 BHED C=C(C)[C@@H](N[C@@H](C)CC)c1ccc(F)c(F)c1 501033533 ULECQUOZOUZHDF-IINYFYTJSA-N 239.309 3.970 30 20 BHED N#Cc1ccc(SCCCCF)c(F)c1 505515580 WHBLHLCJZJHFFB-UHFFFAOYSA-N 227.279 3.539 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H](CCC)C(C)C 537317622 KAXBTMDBDYGBPY-UONOGXRCSA-N 239.403 3.920 30 20 BHED C=C(CC)CN[C@H](Cc1ccccc1)C1CC1 544442007 CXVMSBVTYPXRPK-MRXNPFEDSA-N 229.367 3.564 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)C[C@H]1CCCO1 557384690 CXVBOWGVZZYBCU-RRFJBIMHSA-N 239.403 3.669 30 20 BHED C=CCC[C@H](CC)N[C@H]1CCC[C@@H](F)C1 570569336 OGUOYWCTRAFNLZ-AGIUHOORSA-N 213.340 3.602 30 20 BHED CCC[C@@H](CC)N[C@@H]1CCc2ccc(C#N)cc21 578472619 HRRVMWLGINJRSA-GDBMZVCRSA-N 242.366 3.714 30 20 BHED C[C@@H](C1CCCCC1)N(C)C[C@H](C)CCC#N 602635719 BLCJDNCVILXMPW-KGLIPLIRSA-N 236.403 3.827 30 20 BHED C=CCC[C@@H](C)NCc1ccc(C#N)c(Cl)c1 619754505 BPYROTZRKXAEHO-LLVKDONJSA-N 248.757 3.656 30 20 BHED C=CCCC(C)(C)NCc1ccc(OC)cc1 657805400 NYXPUEWCHZZBQG-UHFFFAOYSA-N 233.355 3.530 30 20 BHED C=C(C)C[C@@H](C)c1nc([C@@H](CC)OCC)no1 665041903 YPLSRAUFZRTCRR-GHMZBOCLSA-N 238.331 3.627 30 20 BHED C=CCCCOC(=O)c1ccc(Cl)s1 735524685 UVTVPAZWBUXJDN-UHFFFAOYSA-N 230.716 3.525 30 20 BHED FC(F)CON=C1CC[C@H]2CCCC[C@H]2C1 758912808 YPHZYVYQOJXWDM-ZJUUUORDSA-N 231.286 3.614 30 20 BHED CC[C@H]1CCC1=NNc1ccc(F)cc1F 807942909 FMFALESRJWDDNK-QMMMGPOBSA-N 224.254 3.553 30 20 BHED CC(C)(C)CC(=NOC/C=C\Cl)C1CC1 811672291 VQSWESHSMXZDNX-UCNKRJHDSA-N 229.751 3.958 30 20 BHED C1C[C@@H]2[C@@H]3C[C@H](CC3=NOCCC3CC3)[C@H]2C1 814245829 JPZIJNLTTPPJLG-MQYQWHSLSA-N 233.355 3.615 30 20 BHED Cc1ccc(NN=Cc2ccsc2C)cc1 814686215 YAWPUPADVNMCHY-UHFFFAOYSA-N 230.336 3.811 30 20 BHED C=C[C@@H](CC)CC(=O)N(C)c1ccccc1C 826886729 XJNPKQRIXKGJOJ-ZDUSSCGKSA-N 231.339 3.560 30 20 BHED C#CCCCCNC(=O)CCC1CCCCCC1 846916174 YCXVPOUNWXMWPV-UHFFFAOYSA-N 249.398 3.657 30 20 BHED C=CCCC[C@@H](C)OC(=O)C(C#N)(CC)CC 860197379 BAYYTWDKPRLMIN-GFCCVEGCSA-N 237.343 3.604 30 20 BHED CC#CCCCCOC(=O)C[C@@H](C)c1ccco1 860665101 AEZCCCRQKBZUDI-CYBMUJFWSA-N 248.322 3.510 30 20 BHED C[C@H](NN=Cc1ccc2cc[nH]c2c1)C(C)(C)C 863114659 PXKCETWXGXZMHD-NSHDSACASA-N 243.354 3.526 30 20 BHED CCCCNN=C(C)c1ccc(Cl)s1 915966398 RIGQQCSOWZBQJX-UHFFFAOYSA-N 230.764 3.515 30 20 BHED Fc1ccc(C=NNc2ccccc2Cl)cc1 916262644 RNKCATXWFVYWAK-UHFFFAOYSA-N 248.688 3.925 30 20 BHED Cc1ccc(Oc2ccc(C#N)cn2)cc1Cl 1186706231 PFRHNOMJGXYWJF-UHFFFAOYSA-N 244.681 3.707 30 20 BHED C=C(C)CCC(=O)Nc1cc(C)ccc1Cl 1337185015 DDMYXWWYOVDGLL-UHFFFAOYSA-N 237.730 3.943 30 20 BHED C=C(C)CCC(=O)N[C@@H]1CCCc2ccccc21 1337474472 VFIJMVONHZYWRK-OAHLLOKOSA-N 243.350 3.537 30 20 BHED CC[C@H](C)CNc1cc(C#N)ccc1OC(C)C 1658087855 ZQEXJCSMQBWIDV-LBPRGKRZSA-N 246.354 3.803 30 20 BHED Cc1ccc(F)c(NCc2cccc(C#N)c2)c1 20361524 OEZFKJWGSSVQBE-UHFFFAOYSA-N 240.281 3.618 30 20 BHED Cc1ccccc1COc1ccc(C#N)cc1C 36194667 URPWXSUNNFWYHX-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C=CCN[C@H](C)c1oc2ccccc2c1C 37184969 AGHDKTJISOXDFT-LLVKDONJSA-N 215.296 3.578 30 20 BHED CCCCCCCCN[C@H](C)[C@@H]1CCCO1 59090772 NWCWSXLFQBLFGD-KGLIPLIRSA-N 227.392 3.504 30 20 BHED N#CCN1CCC[C@H]1c1cccc2ccccc12 66468806 XCFFKAIZJXWDLW-INIZCTEOSA-N 236.318 3.500 30 20 BHED CC(C)(C#N)CCNc1cccc(Cl)c1 83637836 MVNAPXYVGNTBKY-UHFFFAOYSA-N 222.719 3.692 30 20 BHED C=CCSCc1ncc(-c2cccs2)o1 114756762 MKIATOJWZDRYEN-UHFFFAOYSA-N 237.349 3.822 30 20 BHED C#CCCCCN[C@H]1CCC[C@@H](C(F)(F)F)C1 130191182 ARRJFDJQCQTPJM-NEPJUHHUSA-N 247.304 3.501 30 20 BHED CC#CCCNCc1ccc(C(C)(C)C)s1 163419059 NRVJXTNVCUBCPA-UHFFFAOYSA-N 235.396 3.549 30 20 BHED Cc1cccc2c1[C@@H](C)C[C@@H]2NCCCCC#N 179418819 GFGBULKOFMZXCS-ZFWWWQNUSA-N 242.366 3.827 30 20 BHED C=CC[C@H](C(=O)N(C)CCCC)c1ccccc1 186486652 XCFMVMNAXPLWNP-HNNXBMFYSA-N 245.366 3.605 30 20 BHED C=CCCCCCOc1ccc(C=O)cc1OC 234910488 AIUBGIXTJSXJHG-UHFFFAOYSA-N 248.322 3.633 30 20 BHED C[C@H]1CCC[C@H](C)N1CCCCC(C)(C)C#N 235570609 BTBZNJWXBCRVGA-KBPBESRZSA-N 236.403 3.969 30 20 BHED C[C@@H](c1ccco1)N(C)CCCCC(C)(C)C#N 277653689 IMBWVFJXOBXDHT-ZDUSSCGKSA-N 248.370 3.992 30 20 BHED CCCCc1ccc([C@@H](NCC#N)C(C)C)cc1 302960837 OVDFYWUZKRJJPH-INIZCTEOSA-N 244.382 3.839 30 20 BHED C=CCCCN[C@H](C)c1ccc(C)cc1C 303520080 LAQVYYKDJQCTHB-CQSZACIVSA-N 217.356 3.920 30 20 BHED C=CCNC1(c2c(Cl)cccc2Cl)CC1 308878243 OKJPUDYIONTMKT-UHFFFAOYSA-N 242.149 3.758 30 20 BHED C[C@@H](NC1CCC(C)(C#N)CC1)c1cccs1 336206166 JISAYNQLQYTQKH-LKSINWNRSA-N 248.395 3.871 30 20 BHED Cc1cc(CSCC2(C#N)CC2)c(C)s1 344484372 NKVFVTGMXMOZKN-UHFFFAOYSA-N 237.393 3.902 30 20 BHED C[C@H]1CCN(CCCC(C)(C)C#N)CC12CCC2 371432537 KEMDOHJTLVSMOV-AWEZNQCLSA-N 248.414 3.828 30 20 BHED CCN(CCCCC(C)(C)C#N)CCC1CC1 386131871 VJUSFZCDBFSFKN-UHFFFAOYSA-N 236.403 3.828 30 20 BHED CCN(Cc1ccc(CC#N)cc1)CC(C)(C)C 399093716 XNGKIWINKBVRCU-UHFFFAOYSA-N 244.382 3.621 30 20 BHED CC[C@@H](NCC(C)(C)CC#N)c1cccs1 414165382 LSYOQEADMWQUAW-LLVKDONJSA-N 236.384 3.729 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H](C)CC1 424808058 SWGOCNPVRGDDIH-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C=CCC[C@@H](CC)Nc1cccc(CC#N)c1 449705621 YLKARWQNIZNUJH-CQSZACIVSA-N 228.339 3.909 30 20 BHED C=CCCCC(=O)N1CCC[C@H]1CC(C)(C)C 479577379 IJXMRVWVEAXCMY-ZDUSSCGKSA-N 237.387 3.770 30 20 BHED C=CCOc1cccc(CN(CCC)C2CC2)c1 507251963 KXCDSWNFHOTSIG-UHFFFAOYSA-N 245.366 3.626 30 20 BHED Cc1cccc2nc(Cl)c(C#N)c(Cl)c12 521399149 BYSOUGBOUGRYCI-UHFFFAOYSA-N 237.089 3.722 30 20 BHED C=CCN(C)C[C@@H](C)c1cccc(Cl)c1 526116190 SYGABVZJHXMASE-LLVKDONJSA-N 223.747 3.561 30 20 BHED C=CCCCCOc1ccc(C(C)=O)c(F)c1 556241378 NUOKECYUHUVTSQ-UHFFFAOYSA-N 236.286 3.763 30 20 BHED C=C(C)CCc1noc(C=C2CCCC2)n1 569270014 LSWMJIKXJQSGPD-UHFFFAOYSA-N 218.300 3.536 30 20 BHED C=CCCCC(=O)N[C@](C)(CC)c1ccccc1 748539480 QQNGYVVEGLEVJX-MRXNPFEDSA-N 245.366 3.784 30 20 BHED C#CCN(Cc1ccsc1)C1CCCCC1 769146385 UGBLEGZGEZITFW-UHFFFAOYSA-N 233.380 3.516 30 20 BHED C=C(CC)COC(=O)C1(c2ccccc2)CCC1 773452953 MVQBHOYJRSTFIS-UHFFFAOYSA-N 244.334 3.618 30 20 BHED CC[C@@H]1CCCCC1=NOCC(F)(F)F 779783993 OJZKSCWAMDGJGH-MRVPVSSYSA-N 223.238 3.522 30 20 BHED Cc1ccnc(NN=C2CC[C@H](C)C[C@H]2C)c1 783855840 SRYYCKXAQLIYRV-CMPLNLGQSA-N 231.343 3.614 30 20 BHED Cc1ccnc(NN=C2CC[C@@H](C)C[C@H]2C)c1 783855843 SRYYCKXAQLIYRV-ZYHUDNBSSA-N 231.343 3.614 30 20 BHED CCC(=NOC[C@H](C)CC)c1ccc(C#N)cc1 793159397 OPTXBXVNCZBRRZ-GFCCVEGCSA-N 244.338 3.735 30 20 BHED C=CCCCCC[C@@H](C)NCc1cc(CC)[nH]n1 793543851 WPRMXUSASJXZMD-CYBMUJFWSA-N 249.402 3.587 30 20 BHED CC(Cc1ccc(F)cc1)=NOC/C=C\Cl 814934536 WJZBSIMXCHRDQO-HNLFXFIYSA-N 241.693 3.513 30 20 BHED C=COc1ccc(NC(=O)C(C)(C)C(=C)C)cc1 819563135 MKROPNANRCRVHS-UHFFFAOYSA-N 245.322 3.750 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@@](C)(F)CCCC 831733352 SDACKELFWYLBHB-OCCSQVGLSA-N 243.366 3.766 30 20 BHED CCC(=NNc1ccccc1F)[C@H]1C[C@@H]1C 841616982 TZYZZNKVUQBRRQ-UWVGGRQHSA-N 220.291 3.660 30 20 BHED CCCCCCCNC(=O)[C@H](C)C1CCC1 862355943 QDNCBAIWFVKPJO-GFCCVEGCSA-N 225.376 3.509 30 20 BHED C=CC(C)(C)Cc1nc(C2CCCCC2)no1 904355793 BDMGIEYULLEFEA-UHFFFAOYSA-N 234.343 3.872 30 20 BHED C=C(C)CCC(=O)N(C1CC1)[C@H](C)c1ccco1 1337687520 BHJVSTHGBFTTGG-GFCCVEGCSA-N 247.338 3.688 30 20 BHED N#Cc1c(F)cccc1SCCC1CCC1 1459109534 PHTIAUMHXPLSNI-UHFFFAOYSA-N 235.327 3.980 30 20 BHED CC1CC(COc2cc(Cl)ccc2C#N)C1 1473004736 FJDUREQOUPRLQN-UHFFFAOYSA-N 235.714 3.637 30 20 BHED CC[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 36805541 PWUVHGJXVZNBHT-MRVPVSSYSA-N 242.244 3.787 30 20 BHED C[C@H](N[C@@H](C)C1CCCC1)c1cccc(C#N)c1 70305577 DHUPDXMNSGJRPQ-STQMWFEESA-N 242.366 3.788 30 20 BHED CC(C)(C#N)CCOc1cccc2cccnc12 87596006 RXTXSCSRLFWAOL-UHFFFAOYSA-N 240.306 3.553 30 20 BHED CC(C)(CCC#N)CN1CCC[C@H]2CCC[C@@H]21 92485945 IKWKXUALECGGAK-KGLIPLIRSA-N 234.387 3.581 30 20 BHED Cc1nsc(N[C@@H]2CC[C@H](C)C[C@@H]2C)c1C#N 92912386 QNNSBULVZFNTLW-HOTUBEGUSA-N 249.383 3.560 30 20 BHED C#Cc1ccc(-c2ccccc2)cc1Cl 98181115 TUYWUBQBFQZCLY-UHFFFAOYSA-N 212.679 3.988 30 20 BHED C=CCCCS[C@@H](C)c1nc(C2CC2)no1 117943625 QUSAJCVNIIVBHA-VIFPVBQESA-N 238.356 3.707 30 20 BHED CC[C@@H](CC#N)N[C@@H](C)CCc1ccc(C)cc1 136960204 UKOPBXCMVFHZOR-HOCLYGCPSA-N 244.382 3.598 30 20 BHED C=C[C@@H](C)NC(=O)C[C@H](c1ccccc1)C(C)C 153916126 AKZJSFCDAHHHDZ-HIFRSBDPSA-N 245.366 3.507 30 20 BHED C#CCCCN[C@@H](CCCC)c1ccccc1 219246662 JSIBXIUMKMKHPR-INIZCTEOSA-N 229.367 3.921 30 20 BHED Cc1cccc(CON=Cc2ccccc2F)c1 255575989 LIDWVKJUMVLNFF-UHFFFAOYSA-N 243.281 3.685 30 20 BHED CC[C@@H](C#N)SC[C@@H](C)c1ccccc1 280031323 VXBUEYANPJNTAD-YPMHNXCESA-N 219.353 3.825 30 20 BHED N#CCCN[C@H](c1ccc(Cl)cc1)C1CCC1 298844596 IEWJLHRDEPCFPV-AWEZNQCLSA-N 248.757 3.684 30 20 BHED C=CCCNc1ccc(F)cc1OCC1CC1 303770426 BNRJUDYTAAAXHY-UHFFFAOYSA-N 235.302 3.603 30 20 BHED C#CCCCCN[C@H]1C[C@H](C)c2ccccc21 310166303 JWSHEFDKHMCRKZ-BBRMVZONSA-N 227.351 3.628 30 20 BHED C=CCC[C@H](C)N[C@H](C1CCC1)C1CC1 325044847 NQDCAIOKILITNB-SMDDNHRTSA-N 207.361 3.509 30 20 BHED Cc1cc(COc2ccc(C#N)cc2)c(C)s1 357391611 PPLVPMRUHGVDNJ-UHFFFAOYSA-N 243.331 3.816 30 20 BHED CCCCCCC[C@@H](C)N[C@H](C)[C@@H](C)OC 390544062 MFUQHWSHILIEIE-MGPQQGTHSA-N 229.408 3.748 30 20 BHED CC[C@@H](NCCC(C)C)c1ccc(C#N)cc1 447507391 HPTRENHOTRJXQC-OAHLLOKOSA-N 230.355 3.645 30 20 BHED C[C@@H]1CC[C@@H](NC2CCC(C)(C#N)CC2)[C@H](C)C1 449149687 OMCOBMLQWIHCPK-LFOPHDTNSA-N 248.414 3.873 30 20 BHED C=C(C)COc1cc(C)c([N+](=O)[O-])cc1Cl 506445784 RVIFXDXBUDXQFI-UHFFFAOYSA-N 241.674 3.512 30 20 BHED C=CCCSCCOc1cccc(CC)c1 524605017 OKDWUCZHXUXGLL-UHFFFAOYSA-N 236.380 3.937 30 20 BHED C=CCCCCNC(=O)C[C@H]1CCCC[C@@H]1C 546724393 SAOHURCDJBIOTK-UONOGXRCSA-N 237.387 3.675 30 20 BHED CCCC[C@@H]1CCC[C@@H]1N[C@H]1CC[C@@H](C#N)C1 555425101 XXGDVWVRGDNKMD-KBXIAJHMSA-N 234.387 3.627 30 20 BHED C=CCCCCN[C@](C)(CC)c1nccs1 580755166 ILMLJGONGNSVMH-CYBMUJFWSA-N 238.400 3.714 30 20 BHED CC1C[C@@H]2CC[C@H](C1)N2[C@H](C#N)c1ccccc1 595856394 BTDIXEUTAPJDEX-YPAMNDHTSA-N 240.350 3.514 30 20 BHED N#Cc1ccc(CCSCC2CCC2)cc1 596340025 BIBLQBSKCLGQTG-UHFFFAOYSA-N 231.364 3.634 30 20 BHED C=CC1CCN(C(=O)C[C@H]2CCCC[C@H]2C)CC1 599686266 VLGXXTPLZJFCPR-UKRRQHHQSA-N 249.398 3.627 30 20 BHED CC[C@@H](NC[C@@H](C)CCC#N)C1CCCCC1 602525611 GRPANHCWZBTWNW-DZGCQCFKSA-N 236.403 3.875 30 20 BHED C=CCSCCOC1CCCCCC1 610137262 OQTPZUIWKWYSQA-UHFFFAOYSA-N 214.374 3.645 30 20 BHED C=CCCC(C)(C)NC(=O)C[C@@H]1CC[C@H](C)C1 620858627 LSSOXLHBIBYBAU-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CCC(F)(F)C1 657955315 ZQTYMUBSQUDWBQ-JHJVBQTASA-N 243.341 3.899 30 20 BHED C#CCCCCN[C@H]1CCc2c(Cl)cccc21 752795656 DTOCJSADAXZNLL-HNNXBMFYSA-N 247.769 3.720 30 20 BHED CCCC(CCC)C(=O)Oc1ccc(C#N)cc1 752976944 VHOIYHMYAOGEQK-UHFFFAOYSA-N 245.322 3.680 30 20 BHED Clc1cccc(CNN=C[C@H]2CC=CCC2)c1 756833047 ZMKOUKNVFNJDGJ-LBPRGKRZSA-N 248.757 3.772 30 20 BHED CCCC(CCC)=NN=c1cc[nH]cc1Cl 756842587 WAOUFVNVUNIENC-UHFFFAOYSA-N 239.750 3.525 30 20 BHED C[C@@H]1C[C@H]1C=NNc1cccc(C(F)(F)F)c1 758358859 MFZFOVLVKODXBW-BDAKNGLRSA-N 242.244 3.759 30 20 BHED CC1=CC(=NNCc2ccc(Cl)cc2)CC1 764718619 OUZKQDSTZATUAR-UHFFFAOYSA-N 234.730 3.526 30 20 BHED Cc1ccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)s1 765928902 ORYYCWSZFTZJTL-AVGNSLFASA-N 248.395 3.790 30 20 BHED CC1(C)CCCC(=NOCC(F)(F)F)C1 767790516 AKFJFLJVHSVNRC-UHFFFAOYSA-N 223.238 3.522 30 20 BHED C=C1CCN(C(=O)C=C(CCC)CCC)CC1 770737864 MYDNMBFRUSBISV-UHFFFAOYSA-N 235.371 3.692 30 20 BHED C=C(CC)CSCc1c(C)nn(C)c1Cl 773275322 KRCNXJDQTOPCJQ-UHFFFAOYSA-N 244.791 3.581 30 20 BHED C#CCCCCCC(=O)Nc1cccc(F)c1C 779931660 RRYAXAHEFKUDJF-UHFFFAOYSA-N 247.313 3.656 30 20 BHED C=C[C@@](C)(CC)C(=O)Oc1ccc(C)cc1 785469471 MUJBHNHHFGVEKU-AWEZNQCLSA-N 218.296 3.503 30 20 BHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1ncccc1C 790188429 YUZLRJLXQDZKAC-TZMCWYRMSA-N 243.354 3.780 30 20 BHED CC[C@@H](C)CON=C(C)Cc1cccs1 793159110 KXPLBUJYKHZDHY-SNVBAGLBSA-N 225.357 3.729 30 20 BHED CC(C)C[C@@H](C)C=NNc1ncccc1Cl 799109006 RLFLKVHDLFIFFN-SNVBAGLBSA-N 239.750 3.815 30 20 BHED C=CCCCCCCCN[C@H]1CC[C@@H](C#N)C1 810242762 HIOIBCBIMMDSPS-CABCVRRESA-N 234.387 3.795 30 20 BHED C(=NOC1CCC1)c1cccc2ccccc12 812237868 GKRATRGUVPAQPK-UHFFFAOYSA-N 225.291 3.743 30 20 BHED C1C[C@@H]2[C@@H]3C[C@H](CC3=NOCCC3CC3)[C@@H]2C1 814245830 JPZIJNLTTPPJLG-RFGFWPKPSA-N 233.355 3.615 30 20 BHED CCC(=NNc1cccc(C)c1)c1ccco1 814687553 LAVPORWUSQNAOE-UHFFFAOYSA-N 228.295 3.814 30 20 BHED CC(=NOCc1cccnc1)[C@H]1CCCC[C@@H]1C 834967015 WQYPTKNJEKCZAU-WFASDCNBSA-N 246.354 3.800 30 20 BHED CC(CCCCC#N)=NNCc1ccc(C)cc1 841640949 KOSSCFOULLXWEF-UHFFFAOYSA-N 243.354 3.545 30 20 BHED C=C1CC(c2noc(/C=C(/C)c3ccco3)n2)C1 896874051 JGYPOAVCJGOWSK-NTMALXAHSA-N 242.278 3.657 30 20 BHED Cc1cc(C)c(NN=Cc2ccc(C)o2)c(C)c1 916339906 YPZRREISMKOMGI-UHFFFAOYSA-N 242.322 3.959 30 20 BHED C=C(Cl)CN1Cc2ccccc2C[C@H]1CC 1193116144 ABSMCLSLMSRASS-CQSZACIVSA-N 235.758 3.576 30 20 BHED COc1ccc(C(=O)/C=C/c2ccsc2)cc1 6181817 PXPSFJVASPEOLH-FARCUNLSSA-N 244.315 3.653 30 20 BHED Cc1ccc(NCc2cccc(C#N)c2)c(F)c1 20361431 JXABXVBOSZSDPN-UHFFFAOYSA-N 240.281 3.618 30 20 BHED N#Cc1ccc(CSCc2ccco2)c(F)c1 34938005 TVCDVEKDGNDTLN-UHFFFAOYSA-N 247.294 3.724 30 20 BHED CC[C@@H](CC#N)NCc1ccc2ccccc2c1 54182158 SJOOBWPSUIKIPF-INIZCTEOSA-N 238.334 3.622 30 20 BHED CCCCCCCCCNC(=S)NC(C)C 112057164 VKMVGXAOLFTXLQ-UHFFFAOYSA-N 244.448 3.610 30 20 BHED COc1cc(Cl)cc(C#C[Si](C)(C)C)c1 198023272 WQVOXLLDAJPSEN-UHFFFAOYSA-N 238.790 3.578 30 20 BHED C=C(C)CSCCOc1ccccc1C 219728505 JTQSZWCNGPDTFM-UHFFFAOYSA-N 222.353 3.683 30 20 BHED CC[C@H](C)CSCc1cccc(C#N)c1F 223553054 LZYHFVOKJNSMOT-JTQLQIEISA-N 237.343 3.977 30 20 BHED CCCCCCCCN1CCC[C@](C)(O)CC1 230376117 PYZDXYXLGGMRAO-HNNXBMFYSA-N 241.419 3.584 30 20 BHED O=C(/C=C\c1cccc(Cl)c1)c1ccncc1 255829443 IOSZAWVGBZFHEC-PLNGDYQASA-N 243.693 3.631 30 20 BHED C=CCCc1noc(C[C@H](C)c2ccccc2)n1 297367194 QFFOVLUQYFJITK-LBPRGKRZSA-N 242.322 3.534 30 20 BHED CC(C)C[C@@H]1CCCN1c1cccc(F)c1C#N 301136960 AZUZWWBSCKVNRT-LBPRGKRZSA-N 246.329 3.712 30 20 BHED N#Cc1cc(Cl)ccc1N[C@H]1CC[C@H](F)C1 309572069 NHNVHSCEQRKGKM-QWRGUYRKSA-N 238.693 3.514 30 20 BHED C#C[C@H](N[C@@H](C)C(C)C)c1ccc(Cl)cc1 309707168 VWJSKFJHFDAFRL-FZMZJTMJSA-N 235.758 3.648 30 20 BHED C=CCCCCNCc1nc(CCC)cs1 309975656 SNFPCEBYZJGRDY-UHFFFAOYSA-N 238.400 3.542 30 20 BHED C=CCN[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1 310365165 LVBXKUIZBODJDY-VNQPRFMTSA-N 229.367 3.734 30 20 BHED C=C(C)CSCc1ncc(Cl)s1 336634714 VKJDRHZELXGUSO-UHFFFAOYSA-N 219.762 3.606 30 20 BHED Cc1ccc(F)c(CN(C)CCC(C)(C)C#N)c1 347127584 LVHKFJCFUDSULA-UHFFFAOYSA-N 248.345 3.506 30 20 BHED CCNc1cccc(C#Cc2cccs2)c1 381643217 BAPBVFAHEUQJOL-UHFFFAOYSA-N 227.332 3.580 30 20 BHED CCCC[C@@H](C)C(=O)Nc1cccc(C#N)c1C 409993392 OXJKCDHBBPLWLF-LLVKDONJSA-N 244.338 3.632 30 20 BHED Cc1cc(C)cc([C@@H](C)NCC(C)(C)CC#N)c1 414165404 LWRXPUMJHMOKOL-CQSZACIVSA-N 244.382 3.894 30 20 BHED CC[C@H](NCC(C)(C)CC#N)c1ccccc1 414170737 TWBJLLVHNIPWGF-AWEZNQCLSA-N 230.355 3.667 30 20 BHED C=CCCNc1cccc(-c2ncco2)c1C 427423122 YXLVZMDCVTUJLI-UHFFFAOYSA-N 228.295 3.638 30 20 BHED CCCN(CC#N)C[C@H](c1ccccc1)C(C)C 474145764 FJRPYWJOYNAQDO-INIZCTEOSA-N 244.382 3.662 30 20 BHED C=CCCC1(C(=O)N2CC[C@H](C)C(C)(C)C2)CC1 476689650 OIKJZWGQVHVFBP-ZDUSSCGKSA-N 249.398 3.627 30 20 BHED C=CCCCC(=O)NCc1ccc(C(C)C)cc1 479497360 CYANCKWQOHNVCB-UHFFFAOYSA-N 245.366 3.783 30 20 BHED C=CCN(CC)[C@@H](CC)c1ccccc1 486978499 UAYQZUNQANEKTE-AWEZNQCLSA-N 203.329 3.646 30 20 BHED C=C[C@@](C)(CC)c1nc(-c2ccccc2F)no1 516114786 XNCQMRSVPCWSIP-AWEZNQCLSA-N 246.285 3.729 30 20 BHED C=CCCCN(C)Cc1c(F)cccc1Cl 522777721 UJOPKEDTJOFZQB-UHFFFAOYSA-N 241.737 3.877 30 20 BHED C[C@@H]1CCC[C@H](CCN2CCC(CC#N)CC2)C1 543810160 FSCWRRDWPHLHED-GDBMZVCRSA-N 248.414 3.828 30 20 BHED C=C1CCN([C@@H]2C=CCCCCC2)CC1 564741826 NWZIGEUNMPKTRW-CQSZACIVSA-N 205.345 3.527 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C[C@@H]1CCCC[C@H]1C 577693334 PTVAJVJXHAXJPG-QLFBSQMISA-N 249.398 3.770 30 20 BHED C=CCCCCNC(=O)Nc1ccsc1C 640468462 ULUWPMWJELXLRH-UHFFFAOYSA-N 238.356 3.534 30 20 BHED CC(C)[C@H](C)SCc1ccc(OCC#N)cc1 742460661 VPUSCEJXFCWGNZ-LBPRGKRZSA-N 249.379 3.867 30 20 BHED CC(=NN[C@@H](C)c1ccccc1)C1CCC1 747633890 YSHBFDJCRWDDPN-NSHDSACASA-N 216.328 3.513 30 20 BHED CON=C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 754706308 HOBFTCOSQKVKGV-LBPRGKRZSA-N 233.355 3.795 30 20 BHED C#CC[C@@H](N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 773115701 OIRVYOWRFUYIIN-QMCVQRASSA-N 239.362 3.529 30 20 BHED C=C(CC)COC(=O)c1cc2occc2s1 773514101 JSFNSYLRGHPRAW-UHFFFAOYSA-N 236.292 3.617 30 20 BHED O=C(/C=C\c1ccc2cnccc2c1)c1ccco1 782349418 YADUZTHGNGUKLX-XQRVVYSFSA-N 249.269 3.724 30 20 BHED C(=NOC1CCCCC1)c1ccc2[nH]ccc2c1 811649010 XTLJWABWABEQQC-UHFFFAOYSA-N 242.322 3.851 30 20 BHED C=CCC(C)(C)c1nc([C@@H](C)CCC)no1 813887525 KGHHVSDFYZPOOB-JTQLQIEISA-N 222.332 3.827 30 20 BHED C=C[C@H](C)ON=C[C@@H](OC(C)C)c1ccccc1 844623779 FPOIUYMAECFQIQ-DZGCQCFKSA-N 247.338 3.730 30 20 BHED C=CC(C)(C)CC(=O)N1CC=C(C(C)(C)C)CC1 879311164 TVPVOTQAQDRWMJ-UHFFFAOYSA-N 249.398 3.794 30 20 BHED Clc1ccc(NN=Cc2ccsc2)cc1 916246998 SXPNUTCXOFGBHD-UHFFFAOYSA-N 236.727 3.848 30 20 BHED CC(C)(C)c1ccc(NN=C2CCCCC2)nn1 1318681332 IRDCFMYNYASVSO-UHFFFAOYSA-N 246.358 3.506 30 20 BHED CC(C)(C)ON=CCc1cccc(Cl)c1 1322407164 FKSYHMWTWLRAIT-UHFFFAOYSA-N 225.719 3.683 30 20 BHED C=C(C)CCC(=O)N1CCC[C@H]1c1ccsc1 1335722180 DWCZZCFBMTXGMB-ZDUSSCGKSA-N 249.379 3.768 30 20 BHED C[C@@H](N[C@H]1CC[C@H](C#N)C1)C1CCCCCC1 1473369830 ZDBMAFXHZOCDQY-IPYPFGDCSA-N 234.387 3.627 30 20 BHED C[C@@H]1CCC[C@H](Nc2cccc(C#N)c2)C1 19921983 MUNQSDZIRZNMJU-YPMHNXCESA-N 214.312 3.549 30 20 BHED CCCCCN(Cc1ccc(C#N)cc1)C(C)C 47833885 MSNSERSUMLBAAW-UHFFFAOYSA-N 244.382 3.959 30 20 BHED Cc1cc([C@@H](C)NCCCCC#N)c(C)s1 49578564 NMDFIEXPDMJTQN-LLVKDONJSA-N 236.384 3.709 30 20 BHED CCc1ccc(/C=C/C(=O)c2cccnc2)cc1 57824962 MDPHODPDDFBWPG-MDZDMXLPSA-N 237.302 3.540 30 20 BHED C[C@@H]1C[C@@H](c2cccc(F)c2)N(CCCC#N)C1 75842796 UKAZKYHVZQYCMF-DOMZBBRYSA-N 246.329 3.512 30 20 BHED C=CCCOCCN[C@H](C)c1cccc(C)c1C 90884065 YJSSSBLBQOHJOP-OAHLLOKOSA-N 247.382 3.547 30 20 BHED C=C[C@H](C)N[C@H](CC)c1ccc(F)cc1F 119343756 MIMPDYIYVIGUMB-TVQRCGJNSA-N 225.282 3.580 30 20 BHED CCCCCCCCCNc1ccn(C)n1 128339941 OLYQXXVBWHZJFS-UHFFFAOYSA-N 223.364 3.583 30 20 BHED C[C@H](NCc1ccc(C#N)s1)c1ccsc1 135562342 QFGSYRMEJQBDPM-VIFPVBQESA-N 248.376 3.532 30 20 BHED C=CCC[C@@H](CC)N[C@@H](C)c1nccs1 153392028 YYELRLILEIVUQO-WDEREUQCSA-N 224.373 3.539 30 20 BHED C=C(Cl)CN[C@H](C)c1ccc(C)cc1C 161727445 GRNOCSDYCRZZJW-GFCCVEGCSA-N 223.747 3.707 30 20 BHED C[C@H](NN=C1CCCCC1)c1ccccc1 167419726 BRQLAYZIPCFKDH-LBPRGKRZSA-N 216.328 3.657 30 20 BHED C=C(C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 180413941 WPAWRHSKAXLBNR-RRFJBIMHSA-N 249.398 3.627 30 20 BHED CC#CCCCC(=O)N[C@@H]1CCC[C@H]1CCCC 185449731 YFJVPUBBGMELMO-HUUCEWRRSA-N 249.398 3.655 30 20 BHED C[C@@H]1CCCN(CCCC#N)c2ccccc21 185981074 UCIQCQCUTFXODD-CYBMUJFWSA-N 228.339 3.694 30 20 BHED CC[C@@H]1CCC[C@H](NCC(C)(C)CCC#N)C1 229696799 BYAIYEWEUHYLGD-KGLIPLIRSA-N 236.403 3.875 30 20 BHED C=CC[C@H](CC)NCc1cccc2cc[nH]c12 281243808 FPLSAJIEYSQUJP-AWEZNQCLSA-N 228.339 3.612 30 20 BHED C[C@H](N[C@H]1CCC1(C)C)c1ccc(C#N)c(F)c1 286883679 CNRDICRQVLDJCD-HZMBPMFUSA-N 246.329 3.537 30 20 BHED CC[C@H](c1ccc(Cl)cc1)N(CC)CC#N 298094805 LAJUQRCMGVQKJZ-CYBMUJFWSA-N 236.746 3.637 30 20 BHED C=CCCN[C@H](c1ccc(F)cc1)C(C)C 309327078 GUPOPTIPGKHOPF-AWEZNQCLSA-N 221.319 3.689 30 20 BHED C=CCC(C)(C)CN[C@H]1CCc2ccccc2C1 310854441 MSWFQVYUSFSNLB-INIZCTEOSA-N 243.394 3.736 30 20 BHED C[C@@H]1CCC[C@@H]1Nc1c(Cl)cccc1C#N 390528164 HPSAYIVJSDGRDZ-SKDRFNHKSA-N 234.730 3.812 30 20 BHED CC[C@H](C)CN(CC)[C@@H](C)c1ccc(C#N)cc1 409445292 DMGJIFBPJCMBSG-KBPBESRZSA-N 244.382 3.987 30 20 BHED C=CCC[C@@H](CCC)NCc1ccc(C)c(C)n1 459666710 LWPSPZHVWDTLPW-OAHLLOKOSA-N 246.398 3.923 30 20 BHED CC#CCCSCc1ccc(C)cc1 462369290 JNPHRFAJSDQAAY-UHFFFAOYSA-N 204.338 3.642 30 20 BHED C=C(C)CN1C[C@H](C)C[C@@H]1c1ccccc1F 464724841 KDVTYYVHURKEHT-IUODEOHRSA-N 233.330 3.785 30 20 BHED CC[C@@H](C#N)Sc1cc(Cl)ccc1F 506404618 QQBSSZKKMBIEIF-QMMMGPOBSA-N 229.707 3.873 30 20 BHED C=CCCC[C@@H](C)NC(=O)CCC(C)(C)C 539431175 WZQDOTKWSTXANT-GFCCVEGCSA-N 225.376 3.674 30 20 BHED Cc1cc(SC[C@@H]2CC[C@H](C)O2)ccc1C#N 572720832 CXNINSCLCHTCPQ-AAEUAGOBSA-N 247.363 3.526 30 20 BHED C[C@H](CCC#N)CN(C)[C@H]1CCc2ccccc21 602437474 YQDZXXYDJVRYDE-CJNGLKHVSA-N 242.366 3.546 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)C1CCCC1 678881257 BVDCDDGBIQLIGP-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C[C@H](CC(C)(C)C#N)NC[C@H](C)c1ccccc1 695779621 QLXZXLFDJZKTJR-UONOGXRCSA-N 244.382 3.708 30 20 BHED C[C@H]1CCCC1=NNc1cc(F)cc(F)c1 729142102 MEZXWTSNVCDCLP-QMMMGPOBSA-N 224.254 3.553 30 20 BHED Fc1ccc(/C=C/C=NNc2ccccc2)cc1 747737329 YQANWOVYXQIRPO-QQTWPTJBSA-N 240.281 3.937 30 20 BHED Cc1ccc(F)c(NN=C(C(C)C)C2CC2)c1 759664422 KNGVYIRUSCDCCS-UHFFFAOYSA-N 234.318 3.968 30 20 BHED C#CC[C@H](N[C@H](C)CC1CCC1)c1ccccc1 773108270 VIOXHIAHMZMGOW-PBHICJAKSA-N 241.378 3.919 30 20 BHED CCOCCON=C1CC(C)(C)CC(C)(C)C1 774415823 URJQIHSIYQXDDM-UHFFFAOYSA-N 241.375 3.632 30 20 BHED C=CC[C@H](C)C(C)=NOCCC(F)(F)F 777459914 MNHMKKPFDRIGQR-QMMMGPOBSA-N 223.238 3.544 30 20 BHED CC[C@H](C)CON=C[C@H]1C[C@@H]1c1ccccc1 793144686 FOZGMMXANKFVEN-NWANDNLSSA-N 231.339 3.839 30 20 BHED C=CCC(C)(C)C(=O)O[C@@H](C)c1ccccc1 796462158 XSTMIMMNLBCYPE-LBPRGKRZSA-N 232.323 3.893 30 20 BHED COc1ccccc1CON=C1CCC[C@H](C)C1 799117946 PQHFVLHJGYGVGC-LBPRGKRZSA-N 247.338 3.778 30 20 BHED Clc1oc2ccccc2c1C=NOC1CCC1 812238090 MWBHDWHDVOAZKH-UHFFFAOYSA-N 249.697 3.989 30 20 BHED CC1(C)CCCCC1=NOCCC1CC1 814245762 GXWSGOVLQXLWPN-UHFFFAOYSA-N 209.333 3.759 30 20 BHED C=CCCC(CCC)=NNc1ccccn1 814731832 LHWAMGPEBWNXBX-UHFFFAOYSA-N 217.316 3.616 30 20 BHED C=CCON=CCCc1c(F)cccc1Cl 835013053 GABUXEXFXODYAA-UHFFFAOYSA-N 241.693 3.600 30 20 BHED CC(C)c1ccccc1CNCC(C)(C)CC#N 848556156 OHOSFGARGPATDQ-UHFFFAOYSA-N 244.382 3.839 30 20 BHED C=CC[C@@H](CC)NC(=O)/C=C(/C)c1cccs1 857209772 OALDQQQCLFWJHO-NLYDNYMLSA-N 249.379 3.622 30 20 BHED CC(C)CN(C/C=C/Cl)c1ccc(C#N)cc1 1191844631 BUXZJLCVQNKTAH-FPYGCLRLSA-N 248.757 3.773 30 20 BHED N#Cc1ccnc(/C=C\c2sccc2Cl)c1 1328934976 MLASEAFIBCEKPW-UPHRSURJSA-N 246.722 3.839 30 20 BHED CCCC[C@H](CC)CN1CCC[C@@](C)(C#N)C1 1559671440 PSWLEHXAZHSESI-GJZGRUSLSA-N 236.403 3.828 30 20 BHED CCC(C)(C)C=NNc1cccc(C(=O)O)c1C 1776087536 IEWKMYORAZGPDR-UHFFFAOYSA-N 248.326 3.527 30 20 BHED N#Cc1ccc(NCc2ccc3c(c2)CCC3)cc1 70197060 ITDPPPALUJXVQV-UHFFFAOYSA-N 248.329 3.659 30 20 BHED CC(C)(C#N)CCSC1CCCCC1 83640630 OCBQCFUDQIFRJG-UHFFFAOYSA-N 211.374 3.992 30 20 BHED C=CC[C@H](C)N[C@@H](C)CCc1ccccc1 116907730 DFNAMXKNKSJHHN-KBPBESRZSA-N 217.356 3.562 30 20 BHED CC(C)c1ccc([C@H]2CCCN2CCC#N)cc1 125507118 FWLIAMPBUJQXLF-MRXNPFEDSA-N 242.366 3.861 30 20 BHED C=CCN(Cc1cnoc1C)CC1CCCCC1 128619390 WIWUVGJDBTUAAR-UHFFFAOYSA-N 248.370 3.551 30 20 BHED C#Cc1cccc(NCc2cc(F)cc(F)c2)c1 130538193 MNIZJBLBXBZFRK-UHFFFAOYSA-N 243.256 3.558 30 20 BHED CCCC[C@@H]1CCC[C@@H]1N[C@@H](CC)CC#N 136960928 KCTWQNZHEMMOLN-RDBSUJKOSA-N 222.376 3.627 30 20 BHED N#Cc1ccc(/C=C/c2ccccc2Cl)nc1 193445164 SVPDNCHNPUHBNH-SOFGYWHQSA-N 240.693 3.777 30 20 BHED C[C@H]1CCC[C@@H](OC(=O)C2(C#N)CCCCC2)C1 194315370 NEWICPCMZKZDND-QWHCGFSZSA-N 249.354 3.582 30 20 BHED CCC1(CNc2ccc(C#N)cc2)CCC1 227777536 RFSXWCQWIINDEJ-UHFFFAOYSA-N 214.312 3.550 30 20 BHED C#C[C@@H](CC)NCc1c(Cl)oc2ccccc12 229892036 IXBCHJIHCCMULD-JTQLQIEISA-N 247.725 3.588 30 20 BHED Cc1cccc([C@H]2CCCN2CCCCC#N)c1 263761380 BBABVTDHKQFCNN-MRXNPFEDSA-N 242.366 3.826 30 20 BHED CC1(C)CC[C@@H](Nc2nccc(C#N)c2Cl)C1 300264553 CCFDXUPCYDOHJQ-SNVBAGLBSA-N 249.745 3.597 30 20 BHED Cc1cc(C#N)cc(NCc2ccc(F)cc2)c1 308109200 KRRFVMMKXISPCS-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)C1CCC1 308980956 ICYNJHHXDKLQPW-STQMWFEESA-N 209.377 3.900 30 20 BHED CC(C)(CCC#N)CN[C@@H]1CCC[C@H](C2CC2)C1 344634272 SAHGTJDILQVZQO-LSDHHAIUSA-N 248.414 3.875 30 20 BHED CCc1ccc(CCSCCCC#N)cc1 359064848 BWNFVNHBXDQQDY-UHFFFAOYSA-N 233.380 3.828 30 20 BHED C=CCC[C@H](NC[C@H]1CCC[C@H]1C)C1CC1 390673849 WLOJXMDGLCNXKP-YUELXQCFSA-N 221.388 3.757 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccc(N(C)C)cc1 393756485 SQDCJWBURJHXMZ-UKRRQHHQSA-N 246.398 3.758 30 20 BHED CCCN(CC)CCC1(C#N)CCCCC1 411197942 XASIPSTTYDEZQL-UHFFFAOYSA-N 222.376 3.582 30 20 BHED Cc1cccc2c1CC[C@@H]2NCC(C)(C)CC#N 414166310 NGVXBIAYQARYSH-HNNXBMFYSA-N 242.366 3.512 30 20 BHED CC[C@@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 414221024 KFZKEBXBLUVDMH-VNQPRFMTSA-N 242.366 3.810 30 20 BHED C=CCCSC[C@H](Cc1ccccc1)OC 419409986 AAMUGKNUPYNEOG-AWEZNQCLSA-N 236.380 3.553 30 20 BHED CC[C@@]1(C(C)C)C[C@H]1NCC(C)(C)CCC#N 453614603 PTSFBUWPNYQTOL-HIFRSBDPSA-N 236.403 3.731 30 20 BHED CCCC[C@H](C)[C@@H](C)NCC(C)(C)CC#N 459729605 KFBMNVIQVSDXPM-QWHCGFSZSA-N 224.392 3.731 30 20 BHED C=CCCN(CCC)[C@@H]1CCc2ccccc2C1 525328352 QPJJMRUZPBRLDV-QGZVFWFLSA-N 243.394 3.832 30 20 BHED C[C@@H]1CC[C@@H](Sc2ccc(C#N)cc2)C1 569006259 LYRDJAHLTDWKQZ-ZWNOBZJWSA-N 217.337 3.839 30 20 BHED CCC(CC)(CC)CN(C)CC(C)(C)C#N 582716854 LXXHJWIMNPTUDZ-UHFFFAOYSA-N 224.392 3.684 30 20 BHED CCC[C@@H](N[C@H](C#N)c1ccccc1)C1CCC1 595535234 VUOLIMVGLRBQBL-HZPDHXFCSA-N 242.366 3.810 30 20 BHED CC(C)[C@H]1CCC[C@@H](NC[C@H](C)CCC#N)C1 602544073 IRAYZQMIKDVLCF-QLFBSQMISA-N 236.403 3.731 30 20 BHED C=CCN(CCCC)[C@H](C)c1ccc(C)o1 621317528 ICYHIRVGVIWVQN-CYBMUJFWSA-N 221.344 3.937 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CC(C)(C)C 648373840 DFZBXHROKPVKMC-BFHYXJOUSA-N 249.398 3.626 30 20 BHED C=CCCN[C@H](C)c1ccc(Cl)cc1OC 658115421 VMWHQOMSTLKVRP-SNVBAGLBSA-N 239.746 3.575 30 20 BHED Cc1ccc(C(=O)/C=C/c2cccc(F)c2F)o1 730730085 UBDDAJHDGMWDND-VOTSOKGWSA-N 248.228 3.762 30 20 BHED CCc1ccc(C=NNc2cccc(F)c2)s1 731152021 UXPSDACVWUVDBC-UHFFFAOYSA-N 248.326 3.896 30 20 BHED C#CCNC(c1cccc(C)c1)c1cccc(C)c1 754315976 UUOIDCRKLLASLM-UHFFFAOYSA-N 249.357 3.616 30 20 BHED C=CC[C@H]1N(C(=O)/C=C/C=C\C)CCCC1(C)C 767218314 FQVJZCKKFCEFBY-NXYZQBJOSA-N 247.382 3.712 30 20 BHED C#CC[C@H](NCC/C=C\CC)c1ccccc1 767340102 ZJLLQJBVTWMVNS-KJPDOMRESA-N 227.351 3.697 30 20 BHED CON=C(C)C(c1ccccc1)c1ccccc1 767492546 SWBFDGZEKUZMQS-UHFFFAOYSA-N 239.318 3.841 30 20 BHED CC(C[C@@H](C)CC(C)C)=NNCC(F)(F)F 769813573 HLZKBYSTGZFNRT-VIFPVBQESA-N 238.297 3.587 30 20 BHED CC(CCCC(F)(F)F)=NNC1CCCC1 774386129 UKYGTCMQSFRYFE-UHFFFAOYSA-N 236.281 3.627 30 20 BHED CC[C@H]1CCC[C@H](C=NNc2ccnc(F)c2)C1 783867718 SNICCKHPZOBPQB-RYUDHWBXSA-N 249.333 3.835 30 20 BHED CSCCON=C(C(C)C)C1CCCCC1 794573461 CYERGBLXMWLEIN-UHFFFAOYSA-N 243.416 3.958 30 20 BHED C[C@H](C=NOCCC(F)(F)F)C(C)(C)C 800816242 GLWIGBXSUYKHCB-MRVPVSSYSA-N 225.254 3.623 30 20 BHED C=CCCCCCCN[C@H](C)c1cc(C)nn1C 806167726 HAHRIWUPIBNADS-CQSZACIVSA-N 249.402 3.516 30 20 BHED C=CCCCCCCCCNC(=O)C(C)C 807843820 CPEFAPBXQFEDSA-UHFFFAOYSA-N 225.376 3.675 30 20 BHED CC[C@@H]1CCC1=NNc1cc(F)c(F)cc1F 807973751 XUOAGTZKQZGGDK-SSDOTTSWSA-N 242.244 3.692 30 20 BHED Fc1ccc(/C=C\C=NNCC2CCCC2)cc1 808006943 IKEAALGZFHQFIL-KJVZPZHHSA-N 246.329 3.605 30 20 BHED C#CCCCc1nc(C2CCCCCCC2)no1 809440516 IKLDDQIYLYTESW-UHFFFAOYSA-N 246.354 3.853 30 20 BHED CC(C)(C#N)[C@H]1CCCC1=NOCCC1CC1 814941562 MAJWSGLLHGNYDR-LBPRGKRZSA-N 234.343 3.509 30 20 BHED C=CCON=C1CCC[C@H]1c1ccccc1 835016330 UFTIVYWANZTSJT-ZDUSSCGKSA-N 215.296 3.513 30 20 BHED Cc1cc(C=NNc2ccc(C(C)C)cc2)no1 841643709 PAGNFRVXLLRFEC-UHFFFAOYSA-N 243.310 3.552 30 20 BHED CCCCCCCCCNC(=O)c1ccccn1 891512837 WOMWAOIARRRONA-UHFFFAOYSA-N 248.370 3.562 30 20 BHED CCCCCCCC(=O)NC[C@H](C)C1CC1 920034725 TULDXHJYBFDAEB-LBPRGKRZSA-N 225.376 3.509 30 20 BHED Cc1ccccc1C=NN[C@H](C)c1ccccc1 920385338 APWOMBCCEBCMHX-CQSZACIVSA-N 238.334 3.680 30 20 BHED C=CCC(CC=C)c1nnc(C2CCC2)o1 1322920618 KTZOKFCXYPANNB-UHFFFAOYSA-N 218.300 3.573 30 20 BHED C[C@H]1CCCC[C@H]1C=NNCc1ccc(F)cc1 1323706193 RHBLTVWGIBFFJG-JSGCOSHPSA-N 248.345 3.727 30 20 BHED C#CCCCCC(=O)NC[C@H]1CCCC[C@@H]1CC 1324465581 GKUSTVKLTBUFBC-LSDHHAIUSA-N 249.398 3.513 30 20 BHED CCCCC[C@@H](C)Nc1ccc(C#N)cc1 21817314 DJBMRNRYDUQBNJ-GFCCVEGCSA-N 216.328 3.939 30 20 BHED C[C@H](Nc1cccc(C#N)c1)C1CCCC1 54077404 JRIZPIVIORCLIB-NSHDSACASA-N 214.312 3.549 30 20 BHED Cc1nsc(NCCC2CCCCC2)c1C#N 92912317 FWWWBIWMXPILKX-UHFFFAOYSA-N 249.383 3.706 30 20 BHED CC(C)(C)[C@@H](NCCCC#N)c1ccc(F)cc1 97079437 CBWDZYITAPWGNA-AWEZNQCLSA-N 248.345 3.806 30 20 BHED C=CCC[C@@H](C)NCCc1ccc(Cl)cc1 126705201 XTSJVZXXNYGQAD-GFCCVEGCSA-N 237.774 3.827 30 20 BHED O=C1/C(=C\c2ccsc2)Cc2ccc(F)cc21 176411690 KYMBJEGZFKMDNT-WZUFQYTHSA-N 244.290 3.710 30 20 BHED C=CCC[C@H](NCC(F)(F)F)c1ccccc1 180041651 OPJADECTFZJAEB-LBPRGKRZSA-N 243.272 3.846 30 20 BHED C=CCN(CC=C)Cc1cc(Cl)cs1 194299788 YPQASZAMEWEXFL-UHFFFAOYSA-N 227.760 3.576 30 20 BHED C=CCc1ccccc1OCc1nc(C)c(C)o1 195477972 IBPWFALJHBHWRD-UHFFFAOYSA-N 243.306 3.599 30 20 BHED C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 274392644 BJYBFQXBLPPUQZ-COPLHBTASA-N 248.757 3.683 30 20 BHED CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1cccc(C)c1 287329785 FVIYNLMBXDUCNE-WFASDCNBSA-N 245.322 3.539 30 20 BHED CCCC[C@H]1CCC[C@@H]1Nc1ccc(C#N)cn1 301173384 VHKVVAGJZKGNLT-KBPBESRZSA-N 243.354 3.724 30 20 BHED Cc1cc(C#N)cc(NC[C@@H](C)CC(C)C)c1 308107148 PEIKVSHWBOJNBR-ZDUSSCGKSA-N 230.355 3.961 30 20 BHED CCCCCCCN[C@@H](C)c1ccoc1 308925849 IEXZBPONKCEAIK-LBPRGKRZSA-N 209.333 3.901 30 20 BHED C[C@@H]1CC(C)(C)C[C@H]1Nc1cccc(CC#N)c1 313484348 VGZOQHOESOVZAA-IUODEOHRSA-N 242.366 3.989 30 20 BHED Cc1nc(N[C@H]2CC[C@H](C)C2)c(Cl)cc1C#N 336716136 PUWBOBUQYBZRBG-KWQFWETISA-N 249.745 3.516 30 20 BHED CCCCCOc1ccc(OCCC#N)cc1 339255382 STVZSMLOWRNCFT-UHFFFAOYSA-N 233.311 3.548 30 20 BHED N#CCCCN1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 339259716 YAKFJMYAQNNAAQ-YHUYYLMFSA-N 246.398 3.581 30 20 BHED N#CC1(CSCc2ccc(F)cc2F)CC1 344471394 UXTRSYHAYJMYKO-UHFFFAOYSA-N 239.290 3.502 30 20 BHED Cl/C=C\CON=Cc1sccc1Cl 379377875 ZGPRRHVMKUTBAV-QBIKGENYSA-N 236.123 3.505 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1ccoc1 381809406 CIEGPVLPTKTZMU-NSHDSACASA-N 207.317 3.533 30 20 BHED C=CC[C@H](C)[C@@H](C)NC[C@@H](C)CC(F)(F)F 414259860 FYKXVGBADUWZAM-GARJFASQSA-N 237.309 3.765 30 20 BHED C[C@H](CSCC1(C#N)CCC1)C(F)(F)F 419436292 CXTFNGCVNCSRJL-MRVPVSSYSA-N 237.290 3.612 30 20 BHED C[C@H]1CC(C)(C)C[C@@H]1NCc1ccc(C#N)s1 421349320 IHXFCSURSVPQEP-GWCFXTLKSA-N 248.395 3.534 30 20 BHED CC[C@H](C#N)S[C@H](C)c1ccc(F)cc1 436053466 UCACKZLGTFXDBS-BXKDBHETSA-N 223.316 3.922 30 20 BHED C=CCCC[C@@H](C)NC1CCC(C)(C#N)CC1 449251439 OBFCAOSFCAKDKN-WLYUNCDWSA-N 234.387 3.793 30 20 BHED C=CCC(C)(C)C(=O)N1CCC[C@H]2CCCC[C@@H]21 459879944 ZXICOHUZOKGNHC-KGLIPLIRSA-N 249.398 3.770 30 20 BHED CC#CCCN(Cc1ccccc1)C(C)(C)C 462317792 WWQRJFKBEUXRDX-UHFFFAOYSA-N 229.367 3.701 30 20 BHED CCc1cccc(CNc2cccc(C#N)c2)c1 469079899 PNXPCSRLADFEHA-UHFFFAOYSA-N 236.318 3.733 30 20 BHED C=CCCC1(C(=O)Nc2ccc(CC)cc2)CC1 474078646 ZYQHSCOKHVBVRJ-UHFFFAOYSA-N 243.350 3.934 30 20 BHED C=C(C)COc1cc(Cl)cc2cccnc12 486100378 LGPSPFRSOBZASD-UHFFFAOYSA-N 233.698 3.843 30 20 BHED C=C(C)CCN(C)C/C(C)=C\c1ccccc1 510747961 IGMOIKBBLYWMAG-QINSGFPZSA-N 229.367 3.988 30 20 BHED C=C(C)CN1[C@@H](C)c2ccc(OC)cc2C[C@H]1C 542919806 MEPYFKBJNSAYKP-OLZOCXBDSA-N 245.366 3.579 30 20 BHED C[C@H](CSCCC(C)(C)C#N)C(F)(F)F 580491981 ZGVAHMSIINGIIV-MRVPVSSYSA-N 239.306 3.858 30 20 BHED COCc1ccc(S[C@@H]2CC[C@H](C#N)C2)cc1 590728714 QNESFJJJGXZMTN-GXTWGEPZSA-N 247.363 3.617 30 20 BHED CCC[C@H](N[C@@H](C#N)c1ccccc1)C1CCC1 595535233 VUOLIMVGLRBQBL-HOTGVXAUSA-N 242.366 3.810 30 20 BHED Cc1ccc(C)c(S[C@@H](C#N)C2CC2)c1 601071904 BYPGZPWLZXELJP-ZDUSSCGKSA-N 217.337 3.698 30 20 BHED C=CCCC(=O)N[C@H](CC)c1cc(C)ccc1C 629109606 IZXPTEZZNJLRDX-OAHLLOKOSA-N 245.366 3.837 30 20 BHED C=CCCN[C@@H](CCC)c1ccsc1 658113979 KAIUGMPGZQGBKL-LBPRGKRZSA-N 209.358 3.755 30 20 BHED C=CCCCCCCNCc1nccn1C(C)C 692868976 VNMSYIZIYSVEHY-UHFFFAOYSA-N 249.402 3.690 30 20 BHED CCCCCCC[S@@](=O)[C@H](C)C(C)C 764558362 FGRCTTBUOCXGFI-TZMCWYRMSA-N 218.406 3.750 30 20 BHED C#CCCCNc1cccc(OC2CCCC2)c1 766729747 HQFVKZLUMMGJSQ-UHFFFAOYSA-N 243.350 3.833 30 20 BHED Cc1cccc(NN=Cc2cc(C)oc2C)c1 767893259 NLQHUPFRLBUYRS-UHFFFAOYSA-N 228.295 3.651 30 20 BHED Cc1ccc(F)c(/C=C\C(=O)c2occc2C)c1 769784406 ULPCXJPUCIBXOG-XQRVVYSFSA-N 244.265 3.932 30 20 BHED CCC(CC)NN=C1CCC[C@@H](C)[C@@H]1C 781127747 QFRGSIAXOQNAIA-MNOVXSKESA-N 210.365 3.577 30 20 BHED FC(F)(F)CCON=C1CC[C@H]1C1CCC1 814910116 QRUKAPZFQFWWMM-VIFPVBQESA-N 235.249 3.522 30 20 BHED C[C@@H](C=NNc1ncccc1F)C1CCCCC1 814927206 BKWIALIDQLNTED-NSHDSACASA-N 249.333 3.835 30 20 BHED CCCCCC(C)=NNCc1ccccc1 818251975 CSCPRDQDRJWFTD-UHFFFAOYSA-N 218.344 3.732 30 20 BHED CC1(C)CC[C@@H](OC(=O)CCCCCC#N)C1 820658866 CJFOUGWNRZTLTJ-GFCCVEGCSA-N 237.343 3.582 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1cccc(OC)c1C 827178388 MKQPSEBGTNSMNJ-LBPRGKRZSA-N 247.338 3.544 30 20 BHED C=C[C@H](C)ON=C(C)C1CCC(F)(F)CC1 844626654 ZHTFHWBMQCMLOX-VIFPVBQESA-N 231.286 3.779 30 20 BHED C[C@@H]1CCCCN1N=Cc1coc2ccccc12 853380738 WKKJTJKGFNDKHC-GFCCVEGCSA-N 242.322 3.641 30 20 BHED FC(F)(F)c1cc(C=NOCC2CC2)cs1 863115443 PCRUOPFRTXWXQC-UHFFFAOYSA-N 249.257 3.527 30 20 BHED CC(=NNCc1ccccc1)c1ccc(C)s1 917027991 KSRYGQIGQPFXHS-UHFFFAOYSA-N 244.363 3.570 30 20 BHED C=C(Cl)CN1c2ccccc2SC[C@H]1C 1307549290 YZDAYSJWXACQFS-SNVBAGLBSA-N 239.771 3.740 30 20 BHED C=C(Cl)CN1CCCc2ccc(C)c(F)c21 1460202963 WBKPFRBLPJYCSP-UHFFFAOYSA-N 239.721 3.639 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)CCCC1CC1 1514860353 XCZLFPBGGXSJOY-CQSZACIVSA-N 235.371 3.524 30 20 BHED C[C@@H](CC(C)(C)C)NCc1cccc(F)c1C#N 1647048712 NYAYFVXBZXBICQ-NSHDSACASA-N 248.345 3.612 30 20 BHED C#CC[C@H](C(=O)c1ccccc1)c1ccccc1 3602172 XMRCGIXNEFRKLH-INIZCTEOSA-N 234.298 3.676 30 20 BHED N#CCOc1ccc(NCC2CCCCC2)cc1 20126432 YQTFYIVUBIKVCH-UHFFFAOYSA-N 244.338 3.581 30 20 BHED N#Cc1ccc(Oc2ccc(F)c(Cl)c2)nc1 48398913 WJLRYHCNKNSHDW-UHFFFAOYSA-N 248.644 3.538 30 20 BHED C=CC[C@@H](C)NCc1ccc(C(F)(F)F)cc1 116927297 HIGXMFQXLVINTE-SNVBAGLBSA-N 243.272 3.760 30 20 BHED CCCC1CCC(NCc2ccc(C#N)o2)CC1 135162111 FRZKFQIMKVLHTL-UHFFFAOYSA-N 246.354 3.600 30 20 BHED C=CCCCC(=O)Nc1cccc(Cl)c1F 177479765 LSVQDJVEMVBDLV-UHFFFAOYSA-N 241.693 3.774 30 20 BHED C=C(C)CN(C)C(=O)[C@@H](C)CC1CCCCC1 180476801 JQSFHPIEWHFYGU-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED Cc1ccccc1C(=O)/C=C\c1cccc(O)c1 213700928 KDKLKICVOANOGC-KTKRTIGZSA-N 238.286 3.597 30 20 BHED N#Cc1ccccc1/C=C\c1nc2ccccc2o1 230547797 NJUGEOGJSKRVRN-KTKRTIGZSA-N 246.269 3.870 30 20 BHED N#CC1(CSc2ccc(Cl)cc2)CC1 259885230 FDDLORQINXKSJA-UHFFFAOYSA-N 223.728 3.736 30 20 BHED CC(C)(C#N)CCCNC(C)(C)c1ccccc1 266897639 GZGLHALPJDZCMH-UHFFFAOYSA-N 244.382 3.841 30 20 BHED CCCC[C@H](NCCCC#N)c1ccccc1 273257417 MBFWUVZEJVPTGQ-HNNXBMFYSA-N 230.355 3.811 30 20 BHED C=CCCCNc1ccc(OC(C)C)cc1F 303873413 QOEHDJULQIYRQN-UHFFFAOYSA-N 237.318 3.991 30 20 BHED CCCCCCC=NOC/C=C\Cl 308240907 SQVWHQGKHSOCOA-JEOSXAEBSA-N 203.713 3.712 30 20 BHED C[C@H]1C[C@H](C)CC[C@H]1Nc1cccc(CC#N)c1 313484378 VKGFIKHAHKGFBZ-DVOMOZLQSA-N 242.366 3.989 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccccc1C 335497732 ZRPWGGXZHFZLAZ-UHFFFAOYSA-N 217.312 3.536 30 20 BHED C=CC[C@H](C)N[C@@H]1CCCc2ccc(C)cc21 340542296 LTIPNHMUYWCIRK-XJKSGUPXSA-N 229.367 3.927 30 20 BHED CCN(Cc1cccc(C#N)c1F)[C@@H](C)C(C)C 340944935 WWOPYYSCEGLOMA-LBPRGKRZSA-N 248.345 3.564 30 20 BHED N#Cc1cnccc1/C=C/c1ccsc1Cl 349108605 LUEBCKXEUPJAFL-OWOJBTEDSA-N 246.722 3.839 30 20 BHED C=CC[C@@H]1N(Cc2cc(C)no2)CCCC1(C)C 352369926 UHQIAQKUCVOILU-AWEZNQCLSA-N 248.370 3.550 30 20 BHED C=CC[C@H](CC)NCc1cccc(OC(C)C)c1 393792139 HOWVERKWTJROCO-HNNXBMFYSA-N 247.382 3.918 30 20 BHED C=CC[C@H](CC)NC(=O)[C@H]1CC[C@H](CC)CC1 410119895 FGWCIAQZZIHGHO-IHRRRGAJSA-N 237.387 3.674 30 20 BHED C=C(C)CN(C)Cc1cnc2ccc(C)cc2c1 411490722 TYYCCZGKJTWPCR-UHFFFAOYSA-N 240.350 3.551 30 20 BHED C[C@@H](c1cccc(C#N)c1)N(C)CC1(C)CCC1 425534871 MIXPNUZATIVPIJ-ZDUSSCGKSA-N 242.366 3.741 30 20 BHED Cc1cc(CN[C@H]2CCC[C@H](C)C2)ccc1C#N 443972605 YDMKJQWEALVQIJ-LRDDRELGSA-N 242.366 3.535 30 20 BHED C=CCCCCCN(C)C(=O)C[C@@H]1CC[C@H]2C[C@@H]12 449915838 POMKWITWKBVWFP-SOUVJXGZSA-N 249.398 3.627 30 20 BHED CC#CCCN(C)[C@@H](C)Cc1ccc(Cl)cc1 462322011 XBJFUIVMIFWOAE-ZDUSSCGKSA-N 249.785 3.616 30 20 BHED CCCC[C@H](CC)CN[C@@H]1CCC[C@@H](C#N)C1 463285056 SRJZQZMEYYTLBM-RRFJBIMHSA-N 236.403 3.875 30 20 BHED C[C@@H]1[C@@H](CN[C@@H]2CCC[C@H](C#N)C2)CCC[C@H]1C 481987918 ADKPLBVXBRKIOE-LYYZXLFJSA-N 248.414 3.731 30 20 BHED C=CCCCCNc1ncnc2scc(C)c12 505749689 GNTIPRZEYGPVPJ-UHFFFAOYSA-N 247.367 3.768 30 20 BHED C=CCC[C@H](C)Nc1cc(OC)c(C)c(OC)c1 556209669 MRNMXKVJYYDBDA-NSHDSACASA-N 249.354 3.779 30 20 BHED N#CC1(CS[C@@H]2CCc3ccccc3C2)CC1 572542511 DDSNQEADUXUBTN-CQSZACIVSA-N 243.375 3.581 30 20 BHED C[C@H](CCC#N)CN1CC=C(C(C)(C)C)CC1 602492269 FQSQHNPUWUPMPG-CYBMUJFWSA-N 234.387 3.604 30 20 BHED C=CCCN1CC2(CCC2)c2c(F)cccc21 606897843 HKWIZTKYWZWMDV-UHFFFAOYSA-N 231.314 3.644 30 20 BHED CCCCCCCC(=O)N[C@@H]1CCC[C@H]1C 729447163 BTPOOSVBVAWORA-CHWSQXEVSA-N 225.376 3.652 30 20 BHED C#CC[C@H](NC1CCC(C)CC1)c1ccccc1 773113851 FVDHEDASJRDBKL-PREGVCBESA-N 241.378 3.919 30 20 BHED C[C@@H]1OCCC1=NNc1ccc(C(C)(C)C)cc1 779824948 KRBGTVUHIZSQCF-NSHDSACASA-N 246.354 3.561 30 20 BHED CC1(C)CCC(=NNc2nc3ccccc3[nH]2)C1 783791765 ZTIKXKNPMYORSD-UHFFFAOYSA-N 242.326 3.541 30 20 BHED C#C[C@@H](CCC)NC(=O)C[C@H](C)C1CCCCC1 791202311 JHHHMXJCJOXMSA-ZFWWWQNUSA-N 249.398 3.511 30 20 BHED CC[C@H](C)CON=C(C)[C@H](OC)c1ccccc1 793160469 UVUAAMYLCRCGGR-WFASDCNBSA-N 249.354 3.813 30 20 BHED Cc1ccc(NN=C2CCC23CCC3)cc1 799864034 IWCIXRFDBMLGKJ-UHFFFAOYSA-N 214.312 3.727 30 20 BHED C(CCC1CC1)=NNc1ccc2ccccc2n1 807944530 FMZZAVIFUAXNCC-UHFFFAOYSA-N 239.322 3.823 30 20 BHED C=CCCCCSC1=N[C@H](C)CS1 829397211 DSXRRHCERQBRTD-SECBINFHSA-N 215.387 3.567 30 20 BHED C=CCCCC(=O)OCCC1(C#N)CCCCC1 840252008 SZBCCKSOLXEHHW-UHFFFAOYSA-N 249.354 3.750 30 20 BHED C#CCCCNc1cnn([C@H](C)CC)c1C1CC1 902193239 RXGKSECFNAEDKK-GFCCVEGCSA-N 245.370 3.557 30 20 BHED CCON=C(C)CC(C)(C)c1ccccc1 915958135 OEEKQBRRXWDYTA-UHFFFAOYSA-N 219.328 3.767 30 20 BHED CC(=NNc1ccccn1)c1ccc(C)cc1C 916273498 GWZIQPHQVWWJCC-UHFFFAOYSA-N 239.322 3.535 30 20 BHED Cc1cc(C)c(NN=Cc2ccco2)c(C)c1 916339938 ZTFWQHWCOGWWAC-UHFFFAOYSA-N 228.295 3.651 30 20 BHED C=C(CC)C(=O)N[C@@H](CC)c1ccc(C)cc1 1123538011 FIXRXWHPWUMXGE-AWEZNQCLSA-N 231.339 3.529 30 20 BHED CC(C)CNN=CCc1ccc(C(C)C)cc1 1319996692 KLVYCXLSSJAGRK-UHFFFAOYSA-N 232.371 3.584 30 20 BHED CC(C)C[C@@H](C)CN1CCCC(C)(C)[C@@H]1C#N 1460060730 RIAJHZMGIZPDTD-KGLIPLIRSA-N 236.403 3.683 30 20 BHED CCC[C@H](NCC(C)(C)CC#N)[C@H]1CC1(C)C 1659994811 GIHSFLCSABQOII-OLZOCXBDSA-N 236.403 3.731 30 20 BHED CC(C)(C)CC(C)(C)Nc1ncccc1C#N 43437168 ANIDMSBSUFOUNY-UHFFFAOYSA-N 231.343 3.580 30 20 BHED N#CCC[C@H](NC1CCCC1)c1ccccc1 90665848 COTWUGSBZYWTFK-HNNXBMFYSA-N 228.339 3.564 30 20 BHED CCCCCCC[S@@](=O)c1ccccc1F 114998062 KTSZLDHFSYJXKC-INIZCTEOSA-N 242.359 3.904 30 20 BHED C=CCCCCCN(C)C(=O)NC(CC)CC 153437710 QOICDHZIODOGMD-UHFFFAOYSA-N 240.391 3.563 30 20 BHED CCCCCCCSCc1noc(C)n1 161416994 ONNVDXOHRRWKLL-UHFFFAOYSA-N 228.361 3.582 30 20 BHED CC[C@H]1CCC[C@@H]1Nc1cccc(F)c1C#N 163796388 OLIVVPGEDHGJAH-GWCFXTLKSA-N 232.302 3.688 30 20 BHED N#C[C@H]1CCC[C@@H](NCc2ccc(Cl)cc2)C1 185763908 GQSSGPOCFJJBKH-GXTWGEPZSA-N 248.757 3.512 30 20 BHED Cc1coc(S[C@@H](C#N)C2CCCCC2)n1 188363183 QSERAFFTVBVREQ-NSHDSACASA-N 236.340 3.548 30 20 BHED C[C@@H](Oc1ccc(F)cc1)c1cccc(C#N)c1 190087292 VQSNMZCYKCHMMN-LLVKDONJSA-N 241.265 3.837 30 20 BHED C[C@@H]1CCC[C@@H](NCc2ccc(C#N)s2)CC1 191112408 BYEKFNPQNZZKLY-VXGBXAGGSA-N 248.395 3.678 30 20 BHED O=C(/C=C/c1ccc(F)cc1)c1ccsc1 194615700 IQYVAMOQPSESDQ-ZZXKWVIFSA-N 232.279 3.783 30 20 BHED CC(C)C(CNCc1cccc(C#N)c1)C(C)C 229528194 DEIOIKRZTAYRMY-UHFFFAOYSA-N 244.382 3.576 30 20 BHED Cc1cc([C@H](C)N[C@H](C)CCC#N)c(C)s1 299720740 SGQHPHRRBWVOGL-KOLCDFICSA-N 236.384 3.708 30 20 BHED C=CCCCN[C@@H](C)c1ccc(C)cc1C 303520078 LAQVYYKDJQCTHB-AWEZNQCLSA-N 217.356 3.920 30 20 BHED C=C(CC)CNC1(C(F)F)CCCCC1 309105884 HUVLPHWKEQCHCL-UHFFFAOYSA-N 217.303 3.510 30 20 BHED C[C@H](C#N)N[C@H](CC(C)(C)C)c1ccc(F)cc1 361833625 IKVRUKDRIXTUEC-BXUZGUMPSA-N 248.345 3.805 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H](C1CC1)C(F)(F)F 381444235 FLBPQAPFJUMNFS-IQJOONFLSA-N 235.293 3.518 30 20 BHED C#Cc1cccc(NCc2ccsc2Cl)c1 381586464 HTELYXNRMOXWHS-UHFFFAOYSA-N 247.750 3.995 30 20 BHED C=C(C)CCN[C@H](C)c1cc(C)ccc1C 390527692 HKDSBMYDFBIVFQ-CQSZACIVSA-N 217.356 3.920 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1cc(C)ccc1O 393761976 MKGLWHMXLYEUAG-CHWSQXEVSA-N 233.355 3.706 30 20 BHED C=CCN(CC=C)[C@H](C)c1ccccc1F 411163756 KRMCRKRKFPEIJP-GFCCVEGCSA-N 219.303 3.561 30 20 BHED N#CC1(CCN2[C@H]3CCC[C@H]2CC3)CCCCC1 411336829 SEYCYIMKFZRYCN-GJZGRUSLSA-N 246.398 3.867 30 20 BHED C=CC[C@@H](C)[C@H](C)Nc1ccc(F)c(OC)c1 437063159 FKRRUTKRYSADHS-MNOVXSKESA-N 237.318 3.847 30 20 BHED C=CCC[C@H](CCC)N[C@@H](C)[C@@H](OC)C1CC1 449633228 TXPMZTOICMTYSR-AEGPPILISA-N 239.403 3.524 30 20 BHED C=CC1CCN(C(=O)CCCCC(C)C)CC1 457549217 BSZVKKWADHMSQG-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CCN(C(=O)[C@@H]1C[C@H]1CCC)c1ccccc1 463253800 CEIZVRXGSLJYOT-UKRRQHHQSA-N 243.350 3.642 30 20 BHED C=C[C@@H](C)N[C@@H]1CC(C)(C)c2cc(OC)ccc21 474039983 WTTLSCLCQWIYJF-IAQYHMDHSA-N 245.366 3.582 30 20 BHED C=CCN(CC1CCCCC1)C(=O)CCCC 482878315 IDWNPVRIMRPVEE-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C=CCN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 519903760 YCIPGOPSXIJROR-JTQLQIEISA-N 243.272 3.884 30 20 BHED CC(C)CCCN[C@@H](C)c1ccc(C#N)c(F)c1 537405842 YNZYLZQMDQFNOL-LBPRGKRZSA-N 248.345 3.784 30 20 BHED C[C@H]1CC[C@@H](Sc2cccc(C#N)c2)C1 540923434 BXDNGEHQVHUINO-GXFFZTMASA-N 217.337 3.839 30 20 BHED C=CCCN1C[C@H](C)C[C@@H]1c1cccc(OC)c1 541320001 SKNJBPUKYILKRJ-CZUORRHYSA-N 245.366 3.654 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CC(C2CCCCC2)C1 584371220 WZBROJANNVWCFM-INIZCTEOSA-N 249.398 3.627 30 20 BHED C=CCOc1cccc(NC(=O)/C(=C\C)CC)c1 588566745 GFJSYGHTOPIGFI-XGICHPGQSA-N 245.322 3.546 30 20 BHED C[C@@H]1CCCCC[C@H]1NCC1CCC(C#N)CC1 593626258 RJFGNNSIUYTOOC-PRLABOORSA-N 248.414 3.875 30 20 BHED C=CCCCN1CCc2ccccc2[C@@H]1CC 605150973 NQJTXDQJJGDIGZ-INIZCTEOSA-N 229.367 3.962 30 20 BHED Fc1cc(NN=Cc2ccco2)ccc1Cl 747634820 BEWMCEMNBHOZBX-UHFFFAOYSA-N 238.649 3.518 30 20 BHED CCCCCCCCNC(=O)[C@@H](C)C(C)C 754855812 YCBMBMAVZWKAHV-ZDUSSCGKSA-N 227.392 3.755 30 20 BHED CC(CC1CC1)=NNc1cccc(Cl)c1 756821614 XGKASKBUMUKZBU-UHFFFAOYSA-N 222.719 3.928 30 20 BHED CCc1ccccc1NN=C(C)CC1CC1 756826013 SAQKLNXMYBMBDS-UHFFFAOYSA-N 216.328 3.837 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H](F)c1ccccc1 769400141 ZSTYZVGUPPTDOR-JSGCOSHPSA-N 249.329 3.558 30 20 BHED C#CC[C@@H](N[C@@H](CC)C1CC1)c1ccccc1 773114240 HHQNQJNEFRRSDY-JKSUJKDBSA-N 227.351 3.529 30 20 BHED C=CCN(C(=O)[C@@H](CC)CCCCC)C1CC1 775802511 UZHOIJRONTZESZ-ZDUSSCGKSA-N 237.387 3.770 30 20 BHED C#CCCCCCC(=O)O[C@@H](C)c1ccccc1 779744229 XWTBGUSUVHUPGG-AWEZNQCLSA-N 244.334 3.875 30 20 BHED C#CCCCCCC(=O)N[C@H](C)C1CCCCC1 779917881 LMOBXFVUSUKHRG-CQSZACIVSA-N 249.398 3.655 30 20 BHED C[C@H](C=NNc1cccc([N+](=O)[O-])c1)C(C)(C)C 800805209 LKDAEXWWEPHTKW-SNVBAGLBSA-N 249.314 3.675 30 20 BHED C[C@@H]1CC[C@@H](C=NNc2ncccc2Cl)C1 800810814 VQVPBGJCOXUCMO-NXEZZACHSA-N 237.734 3.569 30 20 BHED c1cc2c3c(c1)C(=NOCC1CC1)C[C@@H]3CCC2 814244361 PLEBUVSULPJPFJ-ZDUSSCGKSA-N 241.334 3.641 30 20 BHED C[C@H]1CCC(=NNc2cccc(Cl)c2)C1 814693573 YLWRMLJEDZCCLN-VIFPVBQESA-N 222.719 3.928 30 20 BHED C=CCN(C(=O)[C@@H]1CCC[C@H]1CCC)C(C)C 823096715 JBJWEVFHDLILLH-ZIAGYGMSSA-N 237.387 3.626 30 20 BHED C#CCCCCC(=O)NC1(CC=C)CCCCC1 836956248 CJUOFMMOBGEIOL-UHFFFAOYSA-N 247.382 3.575 30 20 BHED Cc1nc(S[C@H](C)CCC#N)sc1C 840200759 SJUDCEFQFFNNKZ-SSDOTTSWSA-N 226.370 3.544 30 20 BHED CCCCCCCOC(=O)c1cccc(C)n1 918493617 CVLDCVFQJAOVMC-UHFFFAOYSA-N 235.327 3.517 30 20 BHED C=CCN(C(=O)C[C@H](C)C1CC1)c1ccccc1 920815371 KHHRUFJKNUJEFL-ZDUSSCGKSA-N 243.350 3.642 30 20 BHED CC[C@@H]1CC[C@@H](C)N(Cc2ccc(C#N)s2)C1 1118502281 VKHOXYZOAIYCBE-VXGBXAGGSA-N 248.395 3.630 30 20 BHED C=CC(C)(C)C(=O)OC[C@H]1CCCC(F)(F)C1 1122873246 ASJYHEGECGOJOR-JTQLQIEISA-N 246.297 3.567 30 20 BHED CCOc1cccc(C(C)=NOC(C)(C)C)c1 1320326337 ZYFKVKITLCGHGE-UHFFFAOYSA-N 235.327 3.624 30 20 BHED CC(C)CCCN[C@@H](C)c1cccc(C#N)c1 38093720 QWSOFQNPRXIQNI-ZDUSSCGKSA-N 230.355 3.645 30 20 BHED N#Cc1cc(Oc2ccc(F)cc2Cl)ccn1 61815418 QBHMLBZKBKZVOS-UHFFFAOYSA-N 248.644 3.538 30 20 BHED N#Cc1cc(Sc2ccc(Cl)cc2)ccn1 61815476 IBJGHLNWKZNGAR-UHFFFAOYSA-N 246.722 3.758 30 20 BHED C=CC[C@@H](C)N[C@H](C)Cc1ccc(Cl)cc1 131967354 GDZLDWHBJJJWLV-VXGBXAGGSA-N 237.774 3.825 30 20 BHED C=CCCCC[C@H](C)NC1CCSCC1 132009875 PLNXEWXKWSKPLX-LBPRGKRZSA-N 227.417 3.607 30 20 BHED C=CCC[C@@H](Nc1ccc(F)cc1)C1CC1 134103089 JFTRPXFOQDHNBK-CQSZACIVSA-N 219.303 3.982 30 20 BHED CC[C@H]1CCCC[C@@H]1Nc1nccc(C)c1C#N 135067798 KRJLCKFPXKYIGG-JSGCOSHPSA-N 243.354 3.642 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cnc2ccsc2c1 157275817 NRLDGVBYPVNNQH-ZJUUUORDSA-N 232.352 3.521 30 20 BHED C=C(Cl)CN[C@@H]1CCc2cc(Cl)ccc21 161733477 WXXJPBSWHGTMQH-GFCCVEGCSA-N 242.149 3.669 30 20 BHED C=CCCCC(=O)Oc1ccc(C(=O)CC)cc1 175592798 NBIPIRRYXWIRTH-UHFFFAOYSA-N 246.306 3.541 30 20 BHED C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)CCC1 191901554 SJWXRDCVMJNXKI-MGPQQGTHSA-N 249.398 3.674 30 20 BHED CCCCCCCCCN[C@H]1CCO[C@@H](C)C1 223017139 SKXJIUXXHLSZBG-GJZGRUSLSA-N 241.419 3.894 30 20 BHED Cc1ccccc1CS[C@H]1CC[C@@H](C#N)C1 278510260 DZEXFZMIYCSFRO-OCCSQVGLSA-N 231.364 3.921 30 20 BHED C=CCCC[C@H](C)NC[C@@H]1CC=CCC1 308815141 AKZSQPYEEHWWHC-UONOGXRCSA-N 207.361 3.677 30 20 BHED Cc1ccccc1CNC1CCC(C)(C#N)CC1 336227315 LXQYHQMKPBNBSK-UHFFFAOYSA-N 242.366 3.557 30 20 BHED Cc1cccc(CSCCC(C)(C)C#N)n1 341999584 GURIOETVJSRGFB-UHFFFAOYSA-N 234.368 3.563 30 20 BHED COc1cc(C#N)ccc1CSCC1CCC1 347086983 VNMCOENOUQZCJP-UHFFFAOYSA-N 247.363 3.600 30 20 BHED C[C@H](CC1CCCC1)NCC(C)(C)CCC#N 348246989 SOKPJGOUAIZKEL-CYBMUJFWSA-N 236.403 3.875 30 20 BHED C=CCC[C@H](C)NC[C@H](CC)CC(F)(F)F 402669751 NNVFSOWSOZTNQC-WDEREUQCSA-N 237.309 3.909 30 20 BHED CC/C=C/CCSCC1(C#N)CCC1 419454922 VDWFIWIATFXPGX-ONEGZZNKSA-N 209.358 3.770 30 20 BHED C=C(C)C(C)(C)C(=O)N(CC)Cc1ccccc1 424565301 QGXDHUXYYDMTDA-UHFFFAOYSA-N 245.366 3.637 30 20 BHED Cc1cccc(CSCC2(C#N)CCC2)c1 451032249 TXMIFXRCIWWRLU-UHFFFAOYSA-N 231.364 3.922 30 20 BHED CC(C)=CCC[C@H](C)CCN(C)[C@@H](C)CC#N 482161714 FKOVORBLUULLRV-GJZGRUSLSA-N 236.403 3.993 30 20 BHED C=CCCN1CCC(=Cc2ccccc2F)CC1 532059206 OFXZQJDUKVJQFS-UHFFFAOYSA-N 245.341 3.881 30 20 BHED C=CCCN[C@H](c1ccc(F)cc1F)C(C)C 538225728 JTQQHJZPMUAEBG-AWEZNQCLSA-N 239.309 3.828 30 20 BHED CC#CCN(C)[C@@H](C)CCSc1ccccc1 580846943 HDWMMRADILGELX-AWEZNQCLSA-N 247.407 3.512 30 20 BHED C[C@H]1CCCC[C@@H]1Sc1cccnc1C#N 600547913 LOERGYLHQGNJHZ-JQWIXIFHSA-N 232.352 3.624 30 20 BHED C=CCCCN1CC[C@H](C)[C@@H]2CCCC[C@@H]21 605150908 BGSYDHLOFYNZDZ-KKUMJFAQSA-N 221.388 3.853 30 20 BHED CC[C@H](C)[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 618801361 AKPIUBVYGHKXJF-OZVIIMIRSA-N 242.366 3.570 30 20 BHED C=CCCC(C)(C)NCc1sccc1OC 657805158 MASVYGOTFXNJHZ-UHFFFAOYSA-N 239.384 3.591 30 20 BHED C#CCN(Cc1ccccc1)[C@@H](C)c1ccccc1 746101944 UUBKRFCHPOCODS-INIZCTEOSA-N 249.357 3.883 30 20 BHED CCCCCCCCCNC(=O)N(C)CCC 746943690 WYVDIHSCIRESFF-UHFFFAOYSA-N 242.407 3.788 30 20 BHED C#CCCCCNc1nccc2ccc(F)cc12 769916809 SZUFZRFNAWCZAS-UHFFFAOYSA-N 242.297 3.589 30 20 BHED C#CCCSC[C@H](C)c1ccccc1 778049776 IFVMYTMYFHADKD-LBPRGKRZSA-N 204.338 3.547 30 20 BHED CCCC(CCC)=NNCCC(C)(C)C 782907766 OUJHDIZDSWJJTD-UHFFFAOYSA-N 212.381 3.968 30 20 BHED C1CCC(NN=C2CCC23CCCC3)CC1 788726785 RRLGMTVSJUPYFF-UHFFFAOYSA-N 220.360 3.619 30 20 BHED CC1(C)CCC1=NNCc1ccccc1Cl 788994272 IFBSURJFLQVTDZ-UHFFFAOYSA-N 236.746 3.606 30 20 BHED CC1=CCC[C@H](C)[C@H]1C=NNc1ncccc1F 794990929 SNDKVOGCMBWDNQ-RYUDHWBXSA-N 247.317 3.611 30 20 BHED C=CCCCC(=O)N1CCCCc2sccc21 798047355 SEOLCZHTLNVHRY-UHFFFAOYSA-N 249.379 3.774 30 20 BHED CC(C)(C)CCNN=C1CCC(C(F)F)CC1 799485750 VDJLECBWMRZHPP-UHFFFAOYSA-N 246.345 3.824 30 20 BHED C[C@H](C#N)OCCSCC1CCCCCC1 802750535 AXFHSCCPYJDMRH-GFCCVEGCSA-N 241.400 3.619 30 20 BHED C(=NOC1CCC1)c1ccc2ccccc2c1 812237340 VNHKIGKYWGEXLV-UHFFFAOYSA-N 225.291 3.743 30 20 BHED CC[C@H](C=NOC/C=C\Cl)c1ccccc1 814933902 DXAXGYMAISXDDQ-PFQQVLKKSA-N 237.730 3.935 30 20 BHED Cc1cccnc1NN=C1C[C@H](C)CC[C@H]1C 834974102 XXOZMWJOAFJVRW-GHMZBOCLSA-N 231.343 3.614 30 20 BHED CC(C)O[C@H](CON=CC1CC1)c1ccccc1 853736319 WGGWIOHISFYELQ-OAHLLOKOSA-N 247.338 3.565 30 20 BHED C=C1CC(c2noc(CSCCCC)n2)C1 896885955 ZKXNLUCVPXNXGT-UHFFFAOYSA-N 238.356 3.537 30 20 BHED N#C[C@H]1CCC[C@@H](NC2(C3CCCCC3)CC2)C1 903447685 AZHUPAARSATQKS-DZGCQCFKSA-N 246.398 3.771 30 20 BHED C[C@H](c1cccc(C#N)c1)N(C)CCCC1CC1 1195359343 VHZHUARCWPEMTP-CYBMUJFWSA-N 242.366 3.741 30 20 BHED C=CCCc1nnc([C@H](CC)c2ccccc2)o1 1257969673 CKOUOBQFHLZRHH-CYBMUJFWSA-N 242.322 3.730 30 20 BHED Oc1ccc(Cl)cc1/C=N/[C@@H]1C=CCCC1 1332223934 OJZBZUDNSDRTBG-KMHUVPDISA-N 235.714 3.573 30 20 BHED C=C(C)CCC(=O)N(C)[C@H](C)c1ccccc1F 1357561868 XMDWLHXTFPHBMW-GFCCVEGCSA-N 249.329 3.701 30 20 BHED N#Cc1ccccc1CSC1CCCC1 57406734 JCNZQDXXPFFCFR-UHFFFAOYSA-N 217.337 3.734 30 20 BHED CC[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 61850894 IVBCZAHQGFSFBO-NSHDSACASA-N 248.757 3.838 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cc(C)c(F)c(C)c1 122994316 SECWLSYAQHYZJT-RYUDHWBXSA-N 221.319 3.668 30 20 BHED C=CCCC(=O)N1CCCC[C@@H]1CCC(C)C 128170702 CFFPRAUIYQRYEN-CQSZACIVSA-N 237.387 3.770 30 20 BHED C=C(Cl)CN[C@@H](CC)C[C@H](C)CC 161753227 TXKREHPSWRSJAO-KOLCDFICSA-N 203.757 3.543 30 20 BHED CC#CCS[C@H](C)c1nc2ccccc2o1 166834133 UEALYPBUIRZWAV-SNVBAGLBSA-N 231.320 3.645 30 20 BHED C#CCCCN[C@H](C)c1ccc(OCCC)cc1 178062139 AHUPYDUDCXZCQG-CQSZACIVSA-N 245.366 3.539 30 20 BHED CC#CCCCC(=O)N(C)[C@H]1CCCC[C@@H]1CC 185840029 DXAGUMCYRNFAOT-GJZGRUSLSA-N 249.398 3.607 30 20 BHED C=CCC1(C(=O)Nc2cccc(F)c2)CCC1 190271072 CNFRJQGNUBNPGP-UHFFFAOYSA-N 233.286 3.511 30 20 BHED C=CCN(CC=C)C(=O)C1(CC)CCCCC1 193124490 QWUYUSRGHNGQIV-UHFFFAOYSA-N 235.371 3.548 30 20 BHED CC[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H](C#N)C2)C1 248885625 SAYOZWZYYFSZCW-KBXIAJHMSA-N 234.387 3.627 30 20 BHED CC1(C)CCC/C(=C\c2ccc(O)cc2)C1=O 255125776 FVHXSKSFMQGJIO-ZRDIBKRKSA-N 230.307 3.555 30 20 BHED Cc1ccc(/C=C\C(=O)c2ccco2)cc1F 255544475 IVIABJPVVFGEEK-SREVYHEPSA-N 230.238 3.623 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1csc(C)n1 293719187 NKGDDHMHKGMFSH-SNVBAGLBSA-N 238.400 3.704 30 20 BHED C=C(Cl)CN[C@@H]1C[C@H](C)c2ccccc21 309018245 RZMZDIRAZZOLSL-TVQRCGJNSA-N 221.731 3.577 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(C)c(C)c1 309543317 GHWFDUUAWLVZKG-CQSZACIVSA-N 217.356 3.920 30 20 BHED CC1(C#N)CCC(NC2CCCCCC2)CC1 336214112 KTTHSAKZJDEMIU-UHFFFAOYSA-N 234.387 3.771 30 20 BHED C=CCC[C@@H](NCC(C)(C)CCC#N)C1CC1 348204691 HTVQMGHAAXRVJJ-CQSZACIVSA-N 234.387 3.651 30 20 BHED C[C@H]1CCC[C@@H](C)CN1Cc1cccc(C#N)c1 353880149 JDMWPVXEWRINBL-KGLIPLIRSA-N 242.366 3.569 30 20 BHED CC(C)(CCC#N)CN[C@H]1C[C@H]1C1CCCCC1 363264523 ODFMARAMPAIQFX-GJZGRUSLSA-N 248.414 3.875 30 20 BHED CC(C)C[C@@H](C)C[C@@H](C)NCC1(C#N)CCC1 418143090 OSABQXLBYZBOOP-ZIAGYGMSSA-N 236.403 3.731 30 20 BHED C=CC(C)(C)CN[C@@H]1CCC12CCCC2 453304131 DWWTVLZQNBFPMS-GFCCVEGCSA-N 207.361 3.511 30 20 BHED C=C(C)CN(CC)Cc1ccc([C@@H]2C[C@@H]2C)o1 505877848 XGPAWPNLSOATPZ-GXTWGEPZSA-N 233.355 3.801 30 20 BHED CCN(CCC(C)(C)C#N)[C@@H]1CCCC[C@H]1C 547747761 BSCCZHHWLKAMHM-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED CCN(CC#N)[C@H](C)c1c(C)cc(C)cc1C 580166171 XZSVLBSNYGAKFB-CQSZACIVSA-N 230.355 3.518 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@H]1CC[C@H](C)CC1 582125598 YGLWMDWUCRXRRV-MGPQQGTHSA-N 237.387 3.674 30 20 BHED C/C=C(/CC)C(=O)Nc1ccc(C#N)c(Cl)c1 588570851 INJRQRAVYXAJAB-OQFOIZHKSA-N 248.713 3.506 30 20 BHED C=CCOCCSCc1cc(C)ccc1C 590128228 SHSXCCRGXMQJQT-UHFFFAOYSA-N 236.380 3.739 30 20 BHED CCCOc1ccccc1NCC1(CC#N)CC1 593931980 RLEOBHXQEBSHBE-UHFFFAOYSA-N 244.338 3.581 30 20 BHED C=CCCCN[C@H](C)c1cc2ccncc2s1 657996377 PPOCCWBYVOPBFS-LLVKDONJSA-N 246.379 3.913 30 20 BHED C=CCCCC[C@@H](C)NCCC(C)(C)F 658191068 JLSZCYVCFIMLKM-GFCCVEGCSA-N 215.356 3.849 30 20 BHED CCCCCCCNCc1cncn1C(C)C 703739854 QBPOXQVDFFQICW-UHFFFAOYSA-N 237.391 3.524 30 20 BHED C(=NNc1ccccc1)[C@@H]1CCc2ccccc21 755462160 PEQDQMMJFCAPJO-AWEZNQCLSA-N 236.318 3.814 30 20 BHED CC(=NOCCC(F)(F)F)c1ccccc1C 777462631 FMBMNJKBLWLZON-UHFFFAOYSA-N 245.244 3.688 30 20 BHED CC1(C)CCCC1=NN[C@H]1CCCC1(C)C 782287153 KGYMYVKUWCFLFZ-NSHDSACASA-N 222.376 3.721 30 20 BHED C[C@H]1CC[C@H](C=NOCc2ccccc2)C1 800810330 OXCNJDPZKXLIAW-JSGCOSHPSA-N 217.312 3.625 30 20 BHED C=CCCCCCCCCNC(=O)c1ccc[nH]1 807842922 ATSCSDMDBRZHDH-UHFFFAOYSA-N 248.370 3.661 30 20 BHED C#C[C@H](N[C@@H](C)CC1CC1)c1ccc(Cl)cc1 811516399 NFQYBWHHHAEWQC-NHYWBVRUSA-N 247.769 3.793 30 20 BHED C/C(C=NOCCOC(C)C)=C\c1ccccc1 812237497 DDMORCBIBDQZDQ-GGUQJELJSA-N 247.338 3.517 30 20 BHED CCCCCC(C)=NNc1nc2ccccc2[nH]1 818217994 VSMZMYBJTAHLMQ-UHFFFAOYSA-N 244.342 3.931 30 20 BHED C=CCC1(CNC(=O)/C(=C\C)CC)CCCC1 836990939 LQZJIHQQHJVIIH-ACAGNQJTSA-N 235.371 3.595 30 20 BHED CCC(CC)=NNCc1cccc2cccnc12 915963432 XJQASCLJHKBMMD-UHFFFAOYSA-N 241.338 3.500 30 20 BHED Cc1ccc(C)c(NN=Cc2cccs2)c1 916345584 HTMWUWBQDOTJFW-UHFFFAOYSA-N 230.336 3.811 30 20 BHED CC[C@H]1CCC[C@@H](CN(CCC#N)CC2CC2)C1 1180030820 QCQHJIKBGICPIT-GOEBONIOSA-N 248.414 3.828 30 20 BHED CSc1ccccc1C(C)=NNC1CCCC1 1321219003 VKUPTAHTQYRDJQ-UHFFFAOYSA-N 248.395 3.665 30 20 BHED CC(C)C[C@@H]1CCCN(C[C@H](C)CCC#N)C1 1560664369 NIIQHVVDWOFCNG-CABCVRRESA-N 236.403 3.684 30 20 BHED N#CCCCCNCc1cccc2ccccc12 52061582 BKONLMADQQTFDH-UHFFFAOYSA-N 238.334 3.623 30 20 BHED Cc1ccccc1NCc1ccc(F)c(C#N)c1 83368218 PUALTXLQDZVTDQ-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=CCCC(=O)Nc1ccccc1CCC 102228239 DVQLDNIOEYBJCR-UHFFFAOYSA-N 217.312 3.544 30 20 BHED N#CCCCCN1CCC[C@H]1C1CCCCC1 102397610 JKZGMZDLDWQHJN-HNNXBMFYSA-N 234.387 3.725 30 20 BHED CCCCCCCCCn1ccccc1=O 131885839 JDZZSTXJTXTEGX-UHFFFAOYSA-N 221.344 3.599 30 20 BHED C=C(C)CN(CC)C(=O)[C@H](C)c1cccc(C)c1 132667843 VTKRLGQBHPWPOA-CQSZACIVSA-N 245.366 3.523 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cc(C)ccc1OC 163333612 IIIHVFUXJKVAFX-CHWSQXEVSA-N 233.355 3.619 30 20 BHED C=CCCN[C@H](C)c1cc2ccccc2o1 164562670 KLLGCFHJPZJYBW-LLVKDONJSA-N 215.296 3.660 30 20 BHED CCC[C@H]1[C@@H](C)CCCN1CCCCC#N 173704920 SHCASLORTXTFAE-KBPBESRZSA-N 222.376 3.581 30 20 BHED Cc1coc(SCCCCC(C)(C)C#N)n1 235816025 FGASZEDHEUXQQN-UHFFFAOYSA-N 238.356 3.795 30 20 BHED Cc1c(Cl)cncc1N[C@@H]1CCC[C@H](C#N)C1 294664759 AEBNMNMRCRVHFK-WDEREUQCSA-N 249.745 3.538 30 20 BHED Cc1nc(Oc2cccc(Cl)c2)ccc1C#N 310363426 LEWZMBBEQGVZFR-UHFFFAOYSA-N 244.681 3.707 30 20 BHED C=CCOCCCSc1nc2ccccc2o1 356041979 QTAPBCYOPTYBTP-UHFFFAOYSA-N 249.335 3.513 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1cc(F)cc(F)c1 393743106 GZBGMSHBXWGLJT-HZMBPMFUSA-N 239.309 3.970 30 20 BHED C=CCCCCN[C@H](C)c1c(F)cccc1F 393828244 HJACEQNPFLWAEA-LLVKDONJSA-N 239.309 3.972 30 20 BHED CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1cccc(C#N)c1 395322789 NBBGOJMGYYEEGG-APHBMKBZSA-N 242.366 3.643 30 20 BHED C=CCn1c(SC2CCC2)nc2ccccc21 430983219 BSUAAYRIMLKCJP-UHFFFAOYSA-N 244.363 3.867 30 20 BHED C=CC[C@H](CC)Nc1ncnc2cccc(F)c12 440647792 VMLLKFGPHHDGOA-JTQLQIEISA-N 245.301 3.536 30 20 BHED CC[C@H](NCCC=C(C)C)c1ccc(C#N)cc1 447601934 QVVXQKDZTHRGSG-INIZCTEOSA-N 242.366 3.955 30 20 BHED C=CC(C)(C)C(=O)N1CC2(CCCC2)[C@@H]1C(C)C 457146610 PEWSXPYKSAXHBU-ZDUSSCGKSA-N 249.398 3.626 30 20 BHED C=C[C@H](C)NC(=O)[C@@H](CC(C)C)c1ccccc1 465118873 GDXBMNZYVUNOFQ-ZFWWWQNUSA-N 245.366 3.507 30 20 BHED C=CCCCCCSCCC(C)(C)O 519604477 DJQVWZRSVHATOZ-UHFFFAOYSA-N 216.390 3.627 30 20 BHED C=C[C@H]1CCCCN1Cc1ccc2cc[nH]c2c1 529553652 IYNLFRSHQUDGAK-HNNXBMFYSA-N 240.350 3.708 30 20 BHED C=C(CC)CSCc1ccccc1C#N 537993293 QKBIHQTYGBUVEC-UHFFFAOYSA-N 217.337 3.758 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)Cc1ccncc1 568991508 VARQWZQOARRTTR-GJZGRUSLSA-N 246.398 3.737 30 20 BHED C=CCCC(C)(C)NC(=O)c1c(C)oc(C)c1C 620863297 NVQGLNPWCAYEQG-UHFFFAOYSA-N 249.354 3.679 30 20 BHED C=CCCC[C@H](C)NCc1cc2cnccc2o1 651748247 DMIGGIWTOITBSE-LBPRGKRZSA-N 244.338 3.662 30 20 BHED C=CCCN[C@@H](CCC)c1ccc(OC)cc1 658115803 DKHIOTPZNNWNGV-HNNXBMFYSA-N 233.355 3.702 30 20 BHED CCC#C[C@H](C)N[C@H](c1ccccc1)C1CC1 678893964 XFMXMTLTNAJHFD-XJKSGUPXSA-N 227.351 3.529 30 20 BHED C#C[C@@H](N[C@@H](C)CCCC(F)(F)F)C(C)(C)C 702226112 AKCFOTYZKPBZGO-WDEREUQCSA-N 249.320 3.745 30 20 BHED CCc1ccc(C(C)=NNc2ccc(F)cc2)o1 752155721 SAAVOFFSSLLQEI-UHFFFAOYSA-N 246.285 3.817 30 20 BHED CCC(C=NNc1cc(F)cc(OC)c1)CC 759209245 CVFFHNSSFMTKAX-UHFFFAOYSA-N 238.306 3.668 30 20 BHED CCCCCC(C)=NNC1CCCCC1 786042877 BZGXLWDCZRJMDQ-UHFFFAOYSA-N 210.365 3.865 30 20 BHED CCC[C@@H](C)C(CC)=NOCCSC 794573097 QKHXSBODZKHYJX-SNVBAGLBSA-N 217.378 3.568 30 20 BHED C[C@@H](C=NNc1ccccc1)C(C)(C)C 800803697 LHQPFOQMLVWRIH-NSHDSACASA-N 204.317 3.767 30 20 BHED c1ccc(C[C@@H]2CCCC2=NOC2CCC2)cc1 812236832 WDZVATCHKKQQBH-AWEZNQCLSA-N 243.350 3.954 30 20 BHED CCC(=NNc1ccc(Cl)nc1)[C@@H]1C[C@@H]1C 841627735 BBBVSLQBJDAMPX-WCBMZHEXSA-N 237.734 3.569 30 20 BHED C[C@@H](CC(C)(C)C)NCCc1ccc(C#N)cc1 850489949 YPWOEVONALHHFL-ZDUSSCGKSA-N 244.382 3.515 30 20 BHED C=CCCN[C@@H](C)c1cc(Cl)cc(C)c1O 850501483 DJUOKPKWOOLAGV-JTQLQIEISA-N 239.746 3.581 30 20 BHED CC[C@@H](OCCON=CC1CC1)c1ccccc1 853736017 IWJWDHBKTGBTBX-OAHLLOKOSA-N 247.338 3.567 30 20 BHED C=C1CCC(C(=O)N2[C@@H](C)CCC[C@H]2C)CC1 887913752 ZBNFDNMJBUUDBU-BETUJISGSA-N 235.371 3.522 30 20 BHED C=C(Cl)CSCc1cc(C)ccc1OC 913396216 SCQPRDZHKMATPT-UHFFFAOYSA-N 242.771 3.989 30 20 BHED CCCC(C)=NNc1ccc(Cl)cc1 916246675 GZIJHIJZVCLRMA-UHFFFAOYSA-N 210.708 3.928 30 20 BHED Cc1ccc(NN=Cc2ccc(F)cc2)cc1 916250093 JSPIRECJESCWTJ-UHFFFAOYSA-N 228.270 3.580 30 20 BHED Cc1cc(C)cc(C=NNc2ccccc2)c1 921253656 OMPNJJPXHGKGIJ-UHFFFAOYSA-N 224.307 3.749 30 20 BHED CC(C)c1ccc(N[C@@H](C)CC(C)(C)C#N)cn1 926895136 DRGOTOMHQPLYHZ-LBPRGKRZSA-N 245.370 3.945 30 20 BHED CC(C)(C#N)CCNC1(C2CCCCC2)CC1 934790298 YBCGGZOZGDNRAE-UHFFFAOYSA-N 234.387 3.629 30 20 BHED CC(CCC1CCCCC1)=NNc1ccn(C)n1 1116759614 HRKHRUQFDFJKIE-UHFFFAOYSA-N 248.374 3.568 30 20 BHED C[C@H]1CCN([C@@H](C#N)c2ccccc2)CC1(C)C 1653230057 OCKXWDRXSXBOKU-ZFWWWQNUSA-N 242.366 3.619 30 20 BHED CCCCCCCCSc1nc(CC)n[nH]1 60295915 RODPSQNBJZENGJ-UHFFFAOYSA-N 241.404 3.820 30 20 BHED C=CCCOc1ccc(F)cc1Br 70592610 HWRGMIPVTXMZQI-UHFFFAOYSA-N 245.091 3.543 30 20 BHED Cc1cc(C)c(C#N)c(NC[C@H](C)C(C)(C)C)n1 96609820 KELUHFVRAHAIIU-NSHDSACASA-N 245.370 3.664 30 20 BHED CCCCCCCCNCc1cscn1 105932251 PWWTZWYMWJCTRE-UHFFFAOYSA-N 226.389 3.593 30 20 BHED CCCCCCCCN(C)C1CCC(N)CC1 118251178 FFROETSVSGPLNU-UHFFFAOYSA-N 240.435 3.549 30 20 BHED CCC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 118393893 KZZJTKPSFVEDKO-CYBMUJFWSA-N 242.366 3.741 30 20 BHED C=C[C@H](C)N[C@H]1CCCc2ccc(C)cc21 126136463 HNHSECDGEIDMRG-WFASDCNBSA-N 215.340 3.537 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc(C)cc1C 157266479 NGLULCAOIZQRPF-QWHCGFSZSA-N 203.329 3.529 30 20 BHED Cc1cc(F)cc(NCc2ccc(C#N)s2)c1 157503809 LDHHBKAOCHDAKR-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C=CCCCC(=O)Nc1nc2ccccc2s1 175155398 MVWDUQOOZJRMSW-UHFFFAOYSA-N 246.335 3.591 30 20 BHED C#CCCCNC[C@@H](CCC)c1ccccc1 182492109 PMTZDPSKQUKISI-MRXNPFEDSA-N 229.367 3.573 30 20 BHED CC[C@@H](CC#N)NCc1cc2ccccc2s1 184086617 OIFGVDDITDEEHX-LBPRGKRZSA-N 244.363 3.683 30 20 BHED C#CCCCN[C@H](CCC)c1ccsc1 187738311 DYVYCLKTOMMFIJ-CYBMUJFWSA-N 221.369 3.592 30 20 BHED C=CCC1(C(=O)N[C@H](C)C2CCCCC2)CCC1 188045442 KUTIKHAVTJVMQI-CYBMUJFWSA-N 249.398 3.818 30 20 BHED CC(=NNc1ccccc1)c1sc(C)nc1C 254556730 LZWNIKCQWVFYRC-UHFFFAOYSA-N 245.351 3.596 30 20 BHED CC(C)CCN(CCC#N)C/C(Cl)=C/Cl 268651873 JXLODOPRLONJQG-FLIBITNWSA-N 249.185 3.567 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1cnn(C(C)C)c1C 281468492 FDOXYZHVZQSUED-TZMCWYRMSA-N 249.402 3.778 30 20 BHED N#Cc1ccc(OCCC2CCCC2)cc1 303389069 NPQXSOKSCRFTJF-UHFFFAOYSA-N 215.296 3.517 30 20 BHED Cc1cc(C#N)cc(N[C@@H](C)C2CCCC2)c1 308104123 KUCULRUCJAPFAI-LBPRGKRZSA-N 228.339 3.857 30 20 BHED C[C@@H]1CC[C@@H](C)[C@H](Nc2cccc(CC#N)c2)C1 313419332 AAGOQQDGPGUYPP-XJKCOSOUSA-N 242.366 3.989 30 20 BHED C=C(CC)CNC(C)(C)c1nc(C)c(C)s1 336777622 IZJUAHOMQSCHBB-UHFFFAOYSA-N 238.400 3.551 30 20 BHED N#CC1(CSCCCc2ccccc2)CC1 344455141 HUCDXFJXNOFWPI-UHFFFAOYSA-N 231.364 3.656 30 20 BHED C=CCC[C@H](N[C@H]1CC[C@H](F)C1)c1ccco1 348317172 JARSHAOAZTWRRP-AVGNSLFASA-N 237.318 3.767 30 20 BHED C=CC[C@H](C)[C@H](C)Nc1cc(C2CC2)ccn1 353620757 JERSEFBJTFUGAC-RYUDHWBXSA-N 230.355 3.972 30 20 BHED CCCCCCCN[C@@H]1CCC[C@H]2C[C@H]21 378803307 VNCFQEWCHDBBQF-BFHYXJOUSA-N 209.377 3.735 30 20 BHED C=CCCCCCN1CCC(CCC#N)CC1 399703959 BTUXMRSMFKMVPV-UHFFFAOYSA-N 234.387 3.749 30 20 BHED CC[C@H](F)CSCc1ccc(C#N)c(F)c1 442553420 HOPHONXQHWYPTM-NSHDSACASA-N 241.306 3.679 30 20 BHED C=C(C)CN(C)Cc1cccc(SCC)c1 473129615 UJHOALBDNMQGDE-UHFFFAOYSA-N 235.396 3.807 30 20 BHED C=C(CC)COc1ccc(F)c2c1C(=O)C[C@@H]2C 539095863 OGTDPRVOFLOULR-JTQLQIEISA-N 248.297 3.861 30 20 BHED C=CCC(C)(C)C(=O)NC1C[C@H](C)C[C@@H](C)C1 556291878 BOAPLUZORQBXNZ-VXGBXAGGSA-N 237.387 3.530 30 20 BHED CC[C@H](CC#N)N[C@H](C)[C@@H]1C[C@H]1c1cccs1 602613215 UENTYVYIEZLDLW-FVCCEPFGSA-N 248.395 3.522 30 20 BHED CCC[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 611465491 KDSMZDSQKNSGOP-QWRGUYRKSA-N 234.318 3.537 30 20 BHED CC[C@@H](c1ccccc1)N1CCC[C@@](C)(C#N)C1 612164913 IWERSNDORWEMHX-HOTGVXAUSA-N 242.366 3.763 30 20 BHED C=C[C@H](CC(=O)N[C@@H](C)CCC)c1ccccc1 677508334 JZDDTKPIOKWSPG-UONOGXRCSA-N 245.366 3.651 30 20 BHED C=CC[C@H](C)[C@H](C)NCc1c(C)cccc1F 766215663 KIQQKCQQDNDTPN-AAEUAGOBSA-N 235.346 3.824 30 20 BHED CCC(=NNc1c(C)cccc1F)C1CC1 769842050 YBRURPKOAOHZLB-UHFFFAOYSA-N 220.291 3.722 30 20 BHED C(CSCc1ccccc1)=NOC1CCCC1 774400531 WYQXRSFIYQKQMX-UHFFFAOYSA-N 249.379 3.865 30 20 BHED C=CC[C@H](C(=O)O[C@H](C)C1CC1)c1ccccc1 777760304 QSCCTJTYDUUGEQ-DOMZBBRYSA-N 244.334 3.688 30 20 BHED C=CCCCCCSC(=S)N1CCCC1 783094182 SETBGCKJNRAFHO-UHFFFAOYSA-N 243.441 3.847 30 20 BHED CC1(C)CCCCC1=NNC1CCCCC1 786039771 HJMYVTCTFGBAKT-UHFFFAOYSA-N 222.376 3.865 30 20 BHED C[C@H](C=NNc1ncccc1Cl)C(C)(C)C 800810200 ITLVDGUPIOBOJB-SECBINFHSA-N 239.750 3.815 30 20 BHED CCC[C@@H](C)C(CC)=NNC[C@@H]1CCSC1 811657014 BPUWKSWAQYLOPX-NEPJUHHUSA-N 242.432 3.531 30 20 BHED CC(=NOC/C=C/Cl)c1ccc(Cl)cc1 811669449 PCHFMIWKUBITNM-LTLPNOEFSA-N 244.121 3.833 30 20 BHED CC(Cc1ccc(Cl)cc1)=NOCC1CC1 814243382 STPFMWGHONGNPH-UHFFFAOYSA-N 237.730 3.685 30 20 BHED CCC(CC)NN=C1CCCC12CCCC2 814850994 DJZLZQIEMGOWJJ-UHFFFAOYSA-N 222.376 3.865 30 20 BHED Cc1cc(C)cc(NN=Cc2cccc(C#N)c2)c1 839401386 JPGXFFDOSSNGFC-UHFFFAOYSA-N 249.317 3.621 30 20 BHED C[C@]1(C=NOCC2CC2)C[C@@H]1c1ccccc1 841640325 IUGDSOLEJIDRAH-HUUCEWRRSA-N 229.323 3.593 30 20 BHED C=CCCC(C)(C)NC(=O)/C=C/C(=C/C)CC 856374283 VFNQWVMJMXJVBZ-DTICODAZSA-N 235.371 3.760 30 20 BHED CCc1csc(SCC(C)(C)CC#N)n1 865387146 ZAIMOKWKOBAIDX-UHFFFAOYSA-N 240.397 3.737 30 20 BHED CCCCCCC(C)=NNc1oc(C)nc1C#N 917554833 TUKNKOKMOKHRFQ-UHFFFAOYSA-N 248.330 3.613 30 20 BHED C[C@H](NN=CC1CCCCC1)c1ccccc1 920386411 ZSGCHXVAVJVRHK-ZDUSSCGKSA-N 230.355 3.903 30 20 BHED CCC1(Nc2ncc(C#N)cc2Cl)CCCC1 1163389954 GNZSKJPGCQXCAY-UHFFFAOYSA-N 249.745 3.741 30 20 BHED C[C@H](CC(C)(C)C#N)NC[C@H]1CCC[C@@H]1C1CC1 1308820807 NZHKOPNXCYENRE-BPLDGKMQSA-N 248.414 3.731 30 20 BHED CCNc1ccc(C#N)cc1NCC1=CCCC1 1327072183 QGXACZDQRMKQCQ-UHFFFAOYSA-N 241.338 3.512 30 20 BHED CC(C)C[C@@]1(C)CCCN1C[C@@H](C)CCC#N 1474534844 JSOJMEDPNVSPCR-LSDHHAIUSA-N 236.403 3.827 30 20 BHED N#Cc1ccc2c(c1)N(CCC1CCCC1)CC2 1645169442 JFNPLZAITNJLFP-UHFFFAOYSA-N 240.350 3.501 30 20 BHED C[C@H](C#N)Sc1cc(Cl)ccc1Cl 48404052 GTHWBEJWTKRREW-ZCFIWIBFSA-N 232.135 3.998 30 20 BHED C=CCCc1nc(-c2cccc(Cl)c2)no1 109468181 VGNWULPVDOFYMA-UHFFFAOYSA-N 234.686 3.509 30 20 BHED C=C(C)CNCc1cc(F)cc(C(F)(F)F)c1 122518145 YBGSPQAMJKQQOG-UHFFFAOYSA-N 247.235 3.510 30 20 BHED CCCCCCC[S@](=O)c1cccc(F)c1 127427450 FIHUXRJPOPUREC-MRXNPFEDSA-N 242.359 3.904 30 20 BHED C=CCC(CC=C)C(=O)N(C)c1cccc(C)c1 130083270 LKLFOEIIKFDSTB-UHFFFAOYSA-N 243.350 3.726 30 20 BHED N#Cc1csc(CN(C2CCCC2)C2CC2)c1 130228177 KWVMPIIGDKFQJX-UHFFFAOYSA-N 246.379 3.527 30 20 BHED Cc1ccc(F)cc1CSCCCC#N 191024158 XYIJLJGCKGFUFL-UHFFFAOYSA-N 223.316 3.671 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CCCc2ccccc21 191790641 CYZKHDQHSLNDQM-INIZCTEOSA-N 243.350 3.568 30 20 BHED C=CCCCCN[C@@H](C)c1cccnc1Cl 274625945 YBBQGOIQRDBQOT-NSHDSACASA-N 238.762 3.742 30 20 BHED C[C@H]1[C@H](C)CCCN1CCCCC(C)(C)C#N 300120118 MHRFEILMSODAKB-KGLIPLIRSA-N 236.403 3.827 30 20 BHED C=CCC[C@H](N[C@H]1CC[C@@H](F)C1)c1ccco1 348317171 JARSHAOAZTWRRP-AGIUHOORSA-N 237.318 3.767 30 20 BHED C=CC[C@H](C)N[C@H](CCC(C)C)C1CC1 379808585 YDGPDOGOMAGJCK-GXTWGEPZSA-N 209.377 3.755 30 20 BHED CC(C)(C)C(C)(C)CNCc1ccc(C#N)cc1 386470748 HEBAIUXNMVMKGS-UHFFFAOYSA-N 244.382 3.720 30 20 BHED C=CCC[C@H](CCC)N[C@@H]1CC[C@@H](F)C1 389857190 BMGYOGBGIQGMSP-FRRDWIJNSA-N 213.340 3.602 30 20 BHED C=CC[C@H](CC)NCc1ccc([C@H]2C[C@H]2C)o1 393771890 UMHRUGUDOKDOTG-DYEKYZERSA-N 233.355 3.847 30 20 BHED C=CC[C@H](CC)NCc1cnc2ccccc2c1 393847490 HCMASWRBRWEFJD-HNNXBMFYSA-N 240.350 3.679 30 20 BHED C=CCCC[C@H](C)NCc1nc(C)c(C)s1 398228098 RAAAKYOVGPTIMC-JTQLQIEISA-N 238.400 3.594 30 20 BHED C=CC[C@H](CC)NC(=O)[C@H](C)C(CC)CC 410119602 DXMHVOMTCMCOJT-YPMHNXCESA-N 225.376 3.530 30 20 BHED CC(C)(C)[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)CC1 429678633 GGSKMRILFRYIAP-KFWWJZLASA-N 248.414 3.827 30 20 BHED Cc1cc(CN[C@H]2CCC(C)(C)C2)ccc1C#N 443999665 BNWGEUUVXIFZND-HNNXBMFYSA-N 242.366 3.535 30 20 BHED C=CC[C@@H](CC)N[C@@H]1CCc2c(OC)cccc21 467401471 AHWIGVMSBMQHOE-IUODEOHRSA-N 245.366 3.627 30 20 BHED CC(C)[C@H]1CCC[C@@H]1Nc1ccc(CC#N)cc1 468476529 SZDCJBALRXEMNE-CVEARBPZSA-N 242.366 3.989 30 20 BHED CCC[C@@H](CC)Sc1ccc(C#N)c(C)n1 487714702 ASCWHCHNNPSHFS-GFCCVEGCSA-N 234.368 3.933 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C 539073595 OJFZPGMZJGDNER-VXGBXAGGSA-N 248.326 3.518 30 20 BHED C=CCC[C@@H](NCCc1ccc(C)cc1)C1CC1 540185595 SZKIZWZAGHAJQC-QGZVFWFLSA-N 243.394 3.872 30 20 BHED C=CCCN(C1CC1)[C@@H](C)c1ccccc1 549040469 CLMZOXZZFOJBBR-ZDUSSCGKSA-N 215.340 3.788 30 20 BHED C=CCC(C)(C)c1noc(Cc2ccsc2)n1 560023856 HHNKENOEHZMZJH-UHFFFAOYSA-N 248.351 3.576 30 20 BHED C=CCCCSCc1noc2c1CCCC2 609803841 CZKOCFQFJDJECV-UHFFFAOYSA-N 237.368 3.753 30 20 BHED C=CC[C@H]1CCCN(C(=O)C2(CC=C)CCC2)C1 617780063 NPZQAFCPORDNFV-AWEZNQCLSA-N 247.382 3.548 30 20 BHED CCC(=NNc1cc(C)ncn1)C1CCCCC1 731936006 XGYHSEZZANGNKF-UHFFFAOYSA-N 246.358 3.543 30 20 BHED Cc1ccoc1C=NNc1ccc(Cl)cc1 743419355 SXCITDXADASEDY-UHFFFAOYSA-N 234.686 3.687 30 20 BHED CCc1ccccc1NN=C(C)c1occc1C 767772910 CTVGIVXWKOVOHS-UHFFFAOYSA-N 242.322 3.987 30 20 BHED C#CC[C@H](N[C@H](C)C1CCC1)c1ccccc1 773114766 JRTIXNZPAMSSTL-CJNGLKHVSA-N 227.351 3.529 30 20 BHED C(=NOC1CCCC1)[C@@H]1C[C@@H]1c1ccccc1 774601603 FCQVWOIJVXAPAG-DZGCQCFKSA-N 229.323 3.735 30 20 BHED CCSCCC=NNc1ccc(Cl)cc1 781115541 PXCXHCGTJVLPPC-UHFFFAOYSA-N 242.775 3.881 30 20 BHED C#CCN(C[C@H](C)c1cccc(Cl)c1)C1CC1 783676733 KNNKOHXKVRBWBA-LBPRGKRZSA-N 247.769 3.541 30 20 BHED C[C@@H]1CCC(=NNC2CCCCC2)C[C@H]1C 786042076 JMTFNIWROIEQIZ-VXGBXAGGSA-N 222.376 3.721 30 20 BHED CCc1ccccc1NN=C[C@]1(C)CCCS1 792974543 UCLHMBVYRFVTSO-AWEZNQCLSA-N 248.395 3.932 30 20 BHED FCCC[C@H]1CCCC1=NNC1CCCCC1 800816568 NRLVSOXVROMXAW-GFCCVEGCSA-N 240.366 3.815 30 20 BHED C[C@H](OC(=O)CCCCCC#N)c1ccccc1 805695891 NCEHMJOVMACGFG-ZDUSSCGKSA-N 245.322 3.765 30 20 BHED CC[C@@H]1CCC1=NNc1nc2ccccc2s1 807943670 PHEZYAAVXPKLKZ-SECBINFHSA-N 245.351 3.884 30 20 BHED C=CCC(F)(F)C(=O)NCCCCC(C)(C)C 815421136 HBSNLRWYBCYABR-UHFFFAOYSA-N 247.329 3.530 30 20 BHED CC(=NOC(C)C)[C@H](C)c1ccccc1 835001709 ZWRISDKJRATVSC-NSHDSACASA-N 205.301 3.591 30 20 BHED C=C(Cl)CSCc1nnc(C(C)C)s1 842187422 WQPUKBAFJOOLRF-UHFFFAOYSA-N 248.804 3.647 30 20 BHED C=C[C@H](C)ON=Cc1csc(C(F)(F)F)c1 863124449 VYXIKRQYNVXTTH-ZETCQYMHSA-N 249.257 3.692 30 20 BHED C=C1CC(c2noc(C(F)=C3CCCC3)n2)C1 896877965 WSXBYHMYPKQVCO-UHFFFAOYSA-N 234.274 3.758 30 20 BHED CC(C)(C)C(C)(C)CNc1ncc(C#N)cc1F 1163378791 WMWPYRNUNXFIDL-UHFFFAOYSA-N 249.333 3.577 30 20 BHED CC[C@H](N[C@@H](C)CC(C)(C)C#N)[C@H]1CC1(C)C 1182445156 WUGOGLABVWMVET-XQQFMLRXSA-N 236.403 3.729 30 20 BHED CC(=NOC(C)(C)C)c1ccccc1C 1323131776 KCVWNXDNCPORPE-UHFFFAOYSA-N 205.301 3.534 30 20 BHED Cc1cc(N[C@@H]2CCC[C@@H](C)CC2)ncc1C#N 1655382612 KPEWUJZZRADXGI-BXUZGUMPSA-N 243.354 3.642 30 20 BHED CC(C)C[C@H](C)N[C@@H](C)c1cccc(C#N)c1 37255933 ORWCYBCINBIRAI-STQMWFEESA-N 230.355 3.643 30 20 BHED C=C(Cl)CN(CC)[C@H](C)c1ccc(C#N)cc1 54340302 BHSFVPCRRPNTTQ-GFCCVEGCSA-N 248.757 3.694 30 20 BHED Cc1ccc(OCCC(C)(C)C#N)c(C)c1 57713654 RPBHNPDSNMJPFI-UHFFFAOYSA-N 217.312 3.622 30 20 BHED C=CCN1CCC[C@@H]1Cc1ccccc1Cl 64249466 OUFMUTOXBFSYOJ-CYBMUJFWSA-N 235.758 3.533 30 20 BHED C=CCCCOc1cc(Cl)ccc1[N+](=O)[O-] 83748220 UGNSQHFMKVYIAA-UHFFFAOYSA-N 241.674 3.593 30 20 BHED CC(C)(C#N)CCCN1CCC[C@@H]1C1CCCC1 87608658 KNPZLGMDPHDXKA-OAHLLOKOSA-N 248.414 3.971 30 20 BHED N#CCC1(CSc2ccccc2F)CC1 88259649 QBWWPVXHOYUDQI-UHFFFAOYSA-N 221.300 3.612 30 20 BHED C=CCCC(=O)N(C)C1CCCCCCC1 102248796 QRJMSFWCROHKAH-UHFFFAOYSA-N 223.360 3.524 30 20 BHED C[C@H](c1ccco1)N(CCC(C)(C)C#N)C1CC1 119897861 IXCGBZQAQDZNSX-GFCCVEGCSA-N 246.354 3.745 30 20 BHED C=C(C)CCNc1ccc(OC(F)F)cc1 168954949 CAIYBGAIMCSXHJ-UHFFFAOYSA-N 227.254 3.666 30 20 BHED C=CCCN(CC)[C@H](C)c1ccc(C#N)cc1 172621571 KTDWLXUVLRIWGY-CYBMUJFWSA-N 228.339 3.517 30 20 BHED Cc1c(C(C)C)c(CC#N)nc2cc(F)ccc12 181316815 WCWIYXWWDSJONJ-UHFFFAOYSA-N 242.297 3.872 30 20 BHED CC#CCCCC(=O)N(C)C1CCC(C)(C)CC1 185821869 INVKLODCKJUSGX-UHFFFAOYSA-N 249.398 3.607 30 20 BHED Cc1ccc(/C=C\C(=O)c2cccc(C#N)c2)cc1 206973270 FGKAUAJLPSSYMH-KTKRTIGZSA-N 247.297 3.763 30 20 BHED C=CCCC(=O)Nc1c(Cl)ccc(F)c1C 279298500 YVOTTZFPAGUIGG-UHFFFAOYSA-N 241.693 3.692 30 20 BHED CC[C@H](OC(=O)[C@@](C)(C#N)CC)c1ccccc1 286854249 XFAKKORNARRCPS-DZGCQCFKSA-N 245.322 3.621 30 20 BHED C=CCC(CC=C)c1nc(-c2ccoc2C)no1 289852641 QMFNONDAFJVGAE-UHFFFAOYSA-N 244.294 3.874 30 20 BHED C=CC[C@H](C)N[C@H](C)c1c(C)cc(C)cc1O 294642517 GIZFYOCDYCWAAE-QWHCGFSZSA-N 233.355 3.624 30 20 BHED CCCC[C@H](Nc1ncccc1C#N)C1CCC1 301605872 MQYPLNBDWBZKJB-AWEZNQCLSA-N 243.354 3.724 30 20 BHED C=CCC(C)(C)CNCc1cccc(F)c1 310568023 MVZNJQQPORJONP-UHFFFAOYSA-N 221.319 3.518 30 20 BHED CCCC[C@@H](C)N(C)Cc1cc(C#N)ccc1F 311233989 SDKRKZVWZKJPAY-GFCCVEGCSA-N 248.345 3.708 30 20 BHED C=C(C)CN(C)C(=O)c1cccc2ccsc12 336525008 RCHWYDBAZKVYFN-UHFFFAOYSA-N 245.347 3.549 30 20 BHED C[C@@H](CC#N)N(C)Cc1ccc(C2CCC2)cc1 351395608 JHALDLAIESCONW-ZDUSSCGKSA-N 242.366 3.688 30 20 BHED CCCCC[C@@H]1CCCN1CCCCC#N 362959950 HGYCHRIMAWCOFN-CQSZACIVSA-N 222.376 3.725 30 20 BHED C=C(C)CCN[C@H](C)c1csc(C)c1 386953192 XVZQTJZUSIECCG-LLVKDONJSA-N 209.358 3.673 30 20 BHED C=CC[C@@H](CC)N[C@@H]1CCc2ccc(C)cc21 393750247 NWNNWZGWBXVFOI-GDBMZVCRSA-N 229.367 3.927 30 20 BHED CC[C@H](C)N(C)CCC1(C#N)CCCCC1 411360128 FIWSJOGYCIYMIW-ZDUSSCGKSA-N 222.376 3.581 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 449350453 WDXNELPVGJRESP-NEPJUHHUSA-N 248.326 3.600 30 20 BHED C=CC[C@H](CC)NC(=O)C1(CC=C)CCCCC1 451623492 KJEDZRYQAJUPBI-AWEZNQCLSA-N 249.398 3.984 30 20 BHED C[C@@H]1CCC(C)(C)N1CCCCC(C)(C)C#N 452000560 BWPZVRJRVADQEL-CYBMUJFWSA-N 236.403 3.969 30 20 BHED Cc1occc1SCC#Cc1ccc(F)cc1 479100792 FUIWIFAJANXGRL-UHFFFAOYSA-N 246.306 3.871 30 20 BHED C=CCCNC1(c2ccc(F)cc2F)CCC1 540458422 NNRQVZLIGDSICR-UHFFFAOYSA-N 237.293 3.510 30 20 BHED C=CCSCCN[C@H](C)c1cccc(C)c1C 543755210 PCZJBPOTJCPYRG-CQSZACIVSA-N 249.423 3.873 30 20 BHED C=CCN(C(=O)CCCCC(C)(C)C)C1CC1 553458919 DVYOBXPFEFMIGZ-UHFFFAOYSA-N 237.387 3.770 30 20 BHED C=C(C)CN(C)[C@@H](CC)c1cccc(OC)c1 561784200 IXXUKFSIYVLRFW-HNNXBMFYSA-N 233.355 3.654 30 20 BHED C=CCCCC[C@H](C)NCc1ccc(C#N)s1 563465358 LFWFZGGSLHRPLX-LBPRGKRZSA-N 248.395 3.844 30 20 BHED N#C[C@@H]1CC[C@H](N2CCCC3(CCCCC3)C2)C1 566574994 VGQBOKITPNIUGT-CABCVRRESA-N 246.398 3.725 30 20 BHED C[C@H](CN(C)C[C@H](C)CCC#N)c1ccccc1 602459237 RYGSFFXKKMUDLS-HUUCEWRRSA-N 244.382 3.662 30 20 BHED Cc1ccccc1C1(NC[C@@H](C)CCC#N)CC1 602698600 DJOJKFHVJUZAKM-ZDUSSCGKSA-N 242.366 3.514 30 20 BHED C=CC[C@H](C)[C@H](C)NCC(=C)c1ccccc1 675783392 HENMWPPEZNXODF-ZFWWWQNUSA-N 229.367 3.890 30 20 BHED CN(CC1(C#N)CC1)C1CC(C)(C)CC(C)(C)C1 693097337 ALWMLDUZVCTLFT-UHFFFAOYSA-N 248.414 3.827 30 20 BHED C=CCCCOC(=O)[C@@H](CC)CCCC 735529597 FUUVMANHLNJMRP-LBPRGKRZSA-N 212.333 3.712 30 20 BHED C=CCCSc1ccc(OCC)cc1 739432391 LCCJVPWRBVJVRQ-UHFFFAOYSA-N 208.326 3.754 30 20 BHED C=CCCCC(=O)O[C@H](C)c1cccc(C)c1 748684547 KPPCQKFOCCOOLZ-CYBMUJFWSA-N 232.323 3.956 30 20 BHED CC(CC1CC1)=NNc1nccc2sccc12 756832170 CZQWIVJIYWLIFB-UHFFFAOYSA-N 245.351 3.884 30 20 BHED C=C(C)CNc1cc(-c2ncco2)ccc1C 759112776 BDNLRWPDDUEOCI-UHFFFAOYSA-N 228.295 3.638 30 20 BHED C=CCCc1csc(Cc2ccccc2)n1 761187268 IVLONXPNTRUTQL-UHFFFAOYSA-N 229.348 3.853 30 20 BHED CCC(CC)CC(=O)Oc1ccc(C#N)c(C)c1 765092136 QRSWVDFZTQXQAB-UHFFFAOYSA-N 245.322 3.598 30 20 BHED C=CCC[C@H](Nc1cccc(OC)c1F)C1CC1 769984503 IANYJNMLRSDXOU-LBPRGKRZSA-N 249.329 3.991 30 20 BHED CCCC(=NOCCOCC)C1CCCCC1 774417024 LUEHFPCYVNMHNO-UHFFFAOYSA-N 241.375 3.776 30 20 BHED CC(Cc1ccccc1C)=NOC1CCCC1 774604116 VMFXTRRTUOTEHA-UHFFFAOYSA-N 231.339 3.873 30 20 BHED CCCC(CC)=NNc1cc(F)cc(F)c1 776180440 NAJGALGXLIMINQ-UHFFFAOYSA-N 226.270 3.943 30 20 BHED CC(C)[C@H]1CC[C@@H](C)CC1=NNc1ccccn1 785449818 OCEAWIHCOOVJPO-CHWSQXEVSA-N 245.370 3.942 30 20 BHED C#Cc1cccc(NC(=O)[C@@](C)(CC)CCC)c1 792914355 CSBKIRPZQPUWAN-INIZCTEOSA-N 243.350 3.823 30 20 BHED C=CCCCCCCCNC(=O)[C@H]1C[C@H]1C1CC1 810767403 VSGRZCGJRQKZME-GJZGRUSLSA-N 249.398 3.675 30 20 BHED Clc1ccccc1NN=C1CC[C@H]1C1CC1 814691212 RHACBPJNGOWNHA-JTQLQIEISA-N 234.730 3.928 30 20 BHED C[C@@H](NN=Cc1ccc(Cl)o1)c1ccccc1 814815307 SOKSBCYHFBOYOV-SNVBAGLBSA-N 248.713 3.618 30 20 BHED CCC(C[C@H](C)CC)=NN[C@H](C)c1ccncc1 819814712 DYUJGOWFPFJZAK-CHWSQXEVSA-N 247.386 3.934 30 20 BHED C[C@@H]1CC[C@@H](C)C(=NOCCC(F)(F)F)C1 834971769 HAKNFRCADLWLMJ-RKDXNWHRSA-N 237.265 3.768 30 20 BHED C#CCCCNc1ccc(C)cc1SC 841701669 VLSNNPIVZQRHLE-UHFFFAOYSA-N 219.353 3.542 30 20 BHED C=C(C)CON=C[C@@H](CC)c1ccccc1 844619637 IHIMTYRLOBTPTJ-CYBMUJFWSA-N 217.312 3.759 30 20 BHED C=C[C@@H](C)ON=C1CCC[C@H](C(F)(F)F)C1 844624182 GHORSAKXGVPTQH-BDAKNGLRSA-N 235.249 3.686 30 20 BHED C=CCC1(NC(=O)C=C(CC)CC)CCCC1 855927144 DLSWHIGWNINYNY-UHFFFAOYSA-N 235.371 3.738 30 20 BHED C=C1CCC(C(=O)N(C)C[C@H]2CC=CCC2)CC1 889922287 DIRMFZHWGTXXMF-AWEZNQCLSA-N 247.382 3.548 30 20 BHED C=C(C)CCC(=O)N1CCc2sccc2[C@H]1C 1120527753 VWHTYBVZYAQTIA-LLVKDONJSA-N 249.379 3.550 30 20 BHED C/C(C=NOC(C)(C)C)=C/c1ccccc1 1253788719 IWTLXPOOXRVFTG-JSCHWNROSA-N 217.312 3.891 30 20 BHED CCc1cccc(COc2ccccc2C#N)c1 1307266643 QIUQPAKFJUATAI-UHFFFAOYSA-N 237.302 3.700 30 20 BHED C=C(C)CCC(=O)N(C)Cc1ccc(C)c(C)c1 1347129433 QUGPGMVBOPODEH-UHFFFAOYSA-N 245.366 3.618 30 20 BHED CC(C)[C@@H]1CCC[C@H]1Nc1cc(F)cc(C#N)c1 1462503701 MFESPKGXWRHROJ-LSDHHAIUSA-N 246.329 3.934 30 20 BHED C[C@H](N(C)CCC1(C#N)CCCCC1)C1(C)CC1 1559588900 MIIPVEABYQTLAC-AWEZNQCLSA-N 248.414 3.971 30 20 BHED CC1(C)CCC[C@H](CN[C@H]2CCC[C@H](C#N)C2)C1 1659465798 RMWDVEQFCPWGNZ-KKUMJFAQSA-N 248.414 3.875 30 20 BHED CC(C)(C)SCCCOc1cccc(C#N)c1 37143705 VFTIHVUFOKMQMN-UHFFFAOYSA-N 249.379 3.859 30 20 BHED CCC(C#N)(CC)C(=O)Nc1cccc(C)c1C 44765093 GBBBDHARKLFYBM-UHFFFAOYSA-N 244.338 3.572 30 20 BHED CCC[C@@H](CC)N[C@@H](C)c1ccc(C#N)cc1 50400436 ZSAOPTWHBQQBLR-SWLSCSKDSA-N 230.355 3.788 30 20 BHED CCC[C@@H](CC)Nc1cccc(F)c1C#N 82261487 RALKHXHIKUTHSB-SNVBAGLBSA-N 220.291 3.688 30 20 BHED CC(C)(C#N)CCCOc1cc(F)ccc1F 87609053 OOYAZCDJBPTFGL-UHFFFAOYSA-N 239.265 3.674 30 20 BHED C#CCCCCN[C@@H](C)Cc1ccc(Cl)cc1 91377865 SQLHOQMQNQWKDN-ZDUSSCGKSA-N 249.785 3.664 30 20 BHED Cc1cc(OCC2CCCCC2)ccc1C#N 133514695 TUCMQVUWJTYRES-UHFFFAOYSA-N 229.323 3.826 30 20 BHED C=CCC(CC=C)C(=O)N1CCC(C(C)C)CC1 150926088 BOGYRAXONHJWBF-UHFFFAOYSA-N 249.398 3.649 30 20 BHED CC(C)(CN[C@H]1CCC[C@@H](C#N)C1)C1CCCC1 185870955 BZSODERFRVKFMG-HIFRSBDPSA-N 248.414 3.875 30 20 BHED CC(C)=CCC[C@@H](C)CCN1CCC(C#N)CC1 193242646 ZHFZLCBZVZQCLP-OAHLLOKOSA-N 248.414 3.995 30 20 BHED C[C@H]1CCC[C@@H](C)[C@@H]1NCCCC(C)(C)C#N 248538862 APHRAUATHHZBBR-WDNDVIMCSA-N 236.403 3.731 30 20 BHED C=CCCCC(=O)N[C@H](C)CCC=C(C)C 295657679 QIXZAOSAMYIFRH-CYBMUJFWSA-N 223.360 3.594 30 20 BHED C=CC[C@H](C)N[C@H]1CCC[C@H](C(C)C)C1 300235951 HROAADOLWJDUNP-IHRRRGAJSA-N 209.377 3.755 30 20 BHED CC(C)C[C@H](C)CN(CCC#N)CC(C)C 304165980 JIIWAMUDMDJAQD-AWEZNQCLSA-N 224.392 3.540 30 20 BHED CCCCCCCN[C@H](C)c1ccoc1 308925848 IEXZBPONKCEAIK-GFCCVEGCSA-N 209.333 3.901 30 20 BHED CC1(C#N)CCC(NCC2(C)CCCC2)CC1 334622912 GNYGGFBDOLHKIE-UHFFFAOYSA-N 234.387 3.629 30 20 BHED C=CC1CCN(Cc2coc3ccccc23)CC1 353594197 MLKZVSDXLPDLNP-UHFFFAOYSA-N 241.334 3.831 30 20 BHED CC#CCN[C@H](C)c1csc2ccccc12 381443709 FJWJVWXRBLTLRP-LLVKDONJSA-N 229.348 3.575 30 20 BHED C=CCC[C@H](CCC)NCc1ccoc1C 393760776 KYFCBQIXWGRZOH-AWEZNQCLSA-N 221.344 3.813 30 20 BHED C[C@H](CN1CCC(CC#N)CC1)C1CCCCC1 397188523 NSAYXBCOAGXZSU-CQSZACIVSA-N 248.414 3.828 30 20 BHED CCC[C@@H](C)N(C)CC#Cc1ccc(Cl)cc1 426387384 ABJNRQNUANLHRC-CYBMUJFWSA-N 249.785 3.812 30 20 BHED CC[C@@H](F)CN(CC)[C@H](C)c1ccc(C#N)cc1 440689386 BJKOHAPRMSPBHU-IUODEOHRSA-N 248.345 3.689 30 20 BHED COc1ccccc1CS[C@@H]1CC[C@H](C#N)C1 450841548 CMKDPSMLHYYQEF-WCQYABFASA-N 247.363 3.621 30 20 BHED Cc1cc(F)ccc1[C@@H]1CCCN1CCCC#N 451975188 UTPCLFXVKKLJSD-HNNXBMFYSA-N 246.329 3.575 30 20 BHED CC[C@]1(C(C)C)C[C@@H]1NCc1cc(C#N)cs1 453602935 AGHAJNXKHQKVQS-UONOGXRCSA-N 248.395 3.534 30 20 BHED C=CCC[C@H](C)N[C@H](C)CCCc1cccnc1 459632144 DSXOYMNYVPAIBB-LSDHHAIUSA-N 246.398 3.737 30 20 BHED C=C(C)CCc1noc(C2(C)CCCCC2)n1 517624472 UVNXVHFQCZEWRQ-UHFFFAOYSA-N 234.343 3.800 30 20 BHED C=C(C)CN(CCC)[C@H]1CCc2ccccc21 520172224 YKKAQTNMEFNTQL-INIZCTEOSA-N 229.367 3.962 30 20 BHED C=CCCc1nc(C2CCCCCC2)no1 566238079 BTLKVVKVZUPAPY-UHFFFAOYSA-N 220.316 3.626 30 20 BHED Cc1ccc(NN=C2CCC[C@H]2C)cc1 729140944 QESVEFUSPYUWQR-LLVKDONJSA-N 202.301 3.583 30 20 BHED CCC(=NNc1cc(F)c(F)cc1F)C1CC1 741164387 JHIITRZVMJHZFR-UHFFFAOYSA-N 242.244 3.692 30 20 BHED C#CC[C@@H](NC[C@@H]1CC=CCC1)c1ccccc1 756996841 SGAAZOQVAFODCD-NVXWUHKLSA-N 239.362 3.697 30 20 BHED C#CCCc1noc([C@H](CCCCC)C(C)C)n1 762010995 UMELFTYODXGHCM-CYBMUJFWSA-N 248.370 3.955 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H](C)COc1ccccc1 765435013 AEOXVQWMKULJAT-KKUMJFAQSA-N 247.382 3.644 30 20 BHED Clc1csc(C=NNc2ccccc2)c1 782098109 QCGWDYXVAVXLEY-UHFFFAOYSA-N 236.727 3.848 30 20 BHED CC(C)(C)CCNN=Cc1cc(Cl)cs1 782269812 VFAHIZMUNNAVCR-UHFFFAOYSA-N 244.791 3.761 30 20 BHED CCCCCCC=NNc1ncccc1F 794979981 BVHGDXNEMSOURY-UHFFFAOYSA-N 223.295 3.589 30 20 BHED COc1cc(F)cc(NN=C2CCC23CCC3)c1 799880471 CHZBOOXALDPRER-UHFFFAOYSA-N 248.301 3.566 30 20 BHED CC(C)(CCC#N)COC(=O)/C=C\C1CCCC1 842785632 OXESDLWCDULNIC-HJWRWDBZSA-N 249.354 3.606 30 20 BHED CCCC[C@H](C(=O)O[C@H](CC)CC#N)C(C)C 857022332 MCKONVNVXWBJAS-OLZOCXBDSA-N 239.359 3.684 30 20 BHED CCCCCCCCS[C@@H](C)C(=O)OC 915795787 YWICSHVLSLWDOQ-NSHDSACASA-N 232.389 3.642 30 20 BHED C=C[C@H](COC)N[C@@H](CCC)C1CCCCC1 1320592105 NEEYETBCZTVWCI-CABCVRRESA-N 239.403 3.526 30 20 BHED C=C(Cl)CNCc1cc2cccc(CC)c2o1 1560348839 NYDGCJLHZQAQPQ-UHFFFAOYSA-N 249.741 3.837 30 20 BHED C#Cc1cccc(NCc2cccc(C)c2C)c1 43304715 PCIOSIBANUWDBO-UHFFFAOYSA-N 235.330 3.897 30 20 BHED N#Cc1cc(Sc2cccc(Cl)c2)ccn1 61815551 RYWYNHHIQMEZGI-UHFFFAOYSA-N 246.722 3.758 30 20 BHED Cc1ccc([C@H](C)NCCC(C)(C)C#N)s1 83638514 PXSRIBMVRKQBRL-NSHDSACASA-N 236.384 3.647 30 20 BHED CN(CCCCC#N)C1CCCCCCC1 102400124 SNNGVHVONMOOMW-UHFFFAOYSA-N 222.376 3.725 30 20 BHED C#CCCCCC(=O)N[C@H]1CCC[C@H](C(C)C)C1 119807333 HJQKSUYXCPNTCA-GJZGRUSLSA-N 249.398 3.511 30 20 BHED C=CCCCN[C@@H](c1ncccc1C)C(C)C 120942504 RYJWPRUYWMLGDY-CQSZACIVSA-N 232.371 3.643 30 20 BHED CC(C)(C)C1=CCN(c2ccc(C#N)cc2)CC1 160768062 PVKZTKXWEVAIJY-UHFFFAOYSA-N 240.350 3.741 30 20 BHED CC(C)(C)c1cnc(SCCCC#N)s1 164047772 VIDXUNZAYAWKHA-UHFFFAOYSA-N 240.397 3.836 30 20 BHED C=CCCCCCOc1ccc(NC(C)=O)cc1 195388106 MOLADTAKULJJML-UHFFFAOYSA-N 247.338 3.770 30 20 BHED CC(C)(C)CCNc1cc(F)cc(C#N)c1 227630391 PMUUVVNUFABKKZ-UHFFFAOYSA-N 220.291 3.545 30 20 BHED C=CC[C@@H](CC)NC1CCC(C)(C)CC1 309172610 LSOAWDAFSZPHEE-GFCCVEGCSA-N 209.377 3.900 30 20 BHED N#CC1(CS[C@@H]2CCc3ccc(F)cc32)CC1 344468539 RRONISYDPSOYNE-CYBMUJFWSA-N 247.338 3.850 30 20 BHED C[C@H]1CC(C)(C)C[C@@H]1NCC(C)(C)CCC#N 348244240 NAWVPCAEVDVECA-STQMWFEESA-N 236.403 3.731 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccc(N(C)C)cc1 385443342 HVIYHXBGDDDDPG-ZDUSSCGKSA-N 246.398 3.615 30 20 BHED C=CC[C@@H](CC)NCc1cc2ccccc2o1 393739642 AVFUJFQFPZTWCM-CYBMUJFWSA-N 229.323 3.877 30 20 BHED C=CCC(C)(C)C(=O)NCCCC1CCCC1 429909414 KEFWCUNYHZAEIB-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCC1(C(=O)NC[C@H]2CCCC[C@H]2C)CCC1 478122040 LXAWYQGIVMTWRE-ZIAGYGMSSA-N 249.398 3.675 30 20 BHED C=CCCCCCN(CC)Cc1ccncc1 488129078 SYDJZNIIZZCHGF-UHFFFAOYSA-N 232.371 3.650 30 20 BHED C=CCN(C)Cc1cc(Cl)ccc1Cl 494636246 IDYFNUHGEBJTMQ-UHFFFAOYSA-N 230.138 3.611 30 20 BHED C=C(C)CN(C)[C@@H](c1ccccc1)C(C)C 497361730 DVTDRZJEIZBLHY-OAHLLOKOSA-N 217.356 3.892 30 20 BHED CCN(CCC(C)C)[C@@H](C)c1ccc(C#N)cc1 503994349 XEFXMKJQSXEVNA-AWEZNQCLSA-N 244.382 3.987 30 20 BHED C=CCN(C(=O)C[C@@H](C)C1CCCCC1)C1CC1 539035464 QWKUFFGNBAJROI-CYBMUJFWSA-N 249.398 3.770 30 20 BHED C=CCCc1nc(-c2ccc(C(C)C)cc2)no1 544902946 NUOHNUCRJCZCPU-UHFFFAOYSA-N 242.322 3.979 30 20 BHED C=C(C)CCN(C)[C@@H]1CCCc2ccccc21 560466246 NVFLKOOUTDNLRN-MRXNPFEDSA-N 229.367 3.962 30 20 BHED C=CCN(Cc1ccc(Cl)s1)C(C)C 588783247 XMBSASUVFRQAPO-UHFFFAOYSA-N 229.776 3.798 30 20 BHED Cc1cc(CNC2(CC(C)C)CC2)ccc1C#N 595000408 LCXQTOUCJCNTDR-UHFFFAOYSA-N 242.366 3.535 30 20 BHED C=CCCCN(C)CCC1CCCCC1 605150322 ICAHRCVQRDGRAG-UHFFFAOYSA-N 209.377 3.855 30 20 BHED C=CCCN1CC[C@@H](C)Sc2ccccc21 606896397 SPUFLHJDRBHOGP-GFCCVEGCSA-N 233.380 3.953 30 20 BHED C=CCC[C@H](NC(=O)CCCF)c1ccccc1 612708305 KZZXGNWRXZHNJY-AWEZNQCLSA-N 249.329 3.560 30 20 BHED N#Cc1ccnc(S[C@H]2C=CCCCCC2)c1 619864477 XJKYXTVYYAONHI-ZDUSSCGKSA-N 244.363 3.934 30 20 BHED CC(C)(C)CC=NOCc1ccccc1 755632733 SJJHBUMUROCIJE-UHFFFAOYSA-N 205.301 3.625 30 20 BHED C=CCCC(C)=NNc1ccc(F)cc1C 758128086 CXMJGCMXHHXIEX-UHFFFAOYSA-N 220.291 3.888 30 20 BHED C=CCCN(C)C(=O)CCCCCC(C)C 786222679 BQKGVPIDIFIAES-UHFFFAOYSA-N 225.376 3.627 30 20 BHED C=CCCCCCC(C)=NOC1CCOCC1 789050847 MAVDIPVWZABRGS-UHFFFAOYSA-N 239.359 3.694 30 20 BHED CC[C@H]1CCC[C@H](C=NOCCSC)C1 794574123 WJJUKBJROZRPCY-RYUDHWBXSA-N 229.389 3.568 30 20 BHED C=CCCCCCCNC(=O)C1(CCC)CC1 805219935 AXAKPFFQBFYHJO-UHFFFAOYSA-N 237.387 3.819 30 20 BHED CC[C@H]1CCC1=NNc1cc(C)ccc1F 807976728 RTVVSODMULOJHB-JTQLQIEISA-N 220.291 3.722 30 20 BHED CC(C)Oc1ccc(C=NOCCC2CC2)cc1 814245248 NLAVAEKYLSCMDX-UHFFFAOYSA-N 247.338 3.624 30 20 BHED C=C(CC)CNC(=S)Nc1cccc(CC)c1 840826743 UORWFXFXZWHFBQ-UHFFFAOYSA-N 248.395 3.502 30 20 BHED CC(=NO[C@@H]1CCCCO1)[C@@H]1C[C@H]2C=C[C@H]1CC2 842530420 LZOVWLXVRNNYRM-ZQDZILKHSA-N 249.354 3.508 30 20 BHED C=C(C)CON=C1CCC[C@@H](C(F)(F)F)C1 844617822 DDNTXRJBRMDWGP-SECBINFHSA-N 235.249 3.688 30 20 BHED CCCCCCCCCC(=O)N1CC=CC1 910006005 QECUJYWDGZDFNZ-UHFFFAOYSA-N 223.360 3.526 30 20 BHED C#CC[C@H](N[C@@H](C)C1(Cl)CC1)c1ccccc1 925634882 MGHQKOJYHMCWGU-JSGCOSHPSA-N 247.769 3.501 30 20 BHED C[C@H](CC=NOC(C)(C)C)c1ccccc1 1319802824 ACZALBJIKGNFKA-GFCCVEGCSA-N 219.328 3.981 30 20 BHED C=C(C)CCC(=O)O[C@@H](C)c1ccc(C#N)cc1 1342667745 MGKUBFKIITVCTH-LBPRGKRZSA-N 243.306 3.519 30 20 BHED CCC[C@H](C)Sc1cccc(F)c1C#N 1459108076 KVAWEDKNSOMWAC-VIFPVBQESA-N 223.316 3.978 30 20 BHED N#Cc1ccc(SCCC2CCC2)c(F)c1 1613565874 JTOLRNMWVFASPL-UHFFFAOYSA-N 235.327 3.980 30 20 BHED C#Cc1cccc(NC[C@@H](C)CCC)c1 21815116 IBFIFCINHKIQJH-LBPRGKRZSA-N 201.313 3.516 30 20 BHED Cc1cccc(C(=O)/C=C/c2ccsc2)c1 71793425 FQHWAJXKYKOAMW-AATRIKPKSA-N 228.316 3.953 30 20 BHED C=CCCCN(C)[C@@H]1CC[C@H](SCC)C1 76071426 UPUUQAOTDNWJPB-OLZOCXBDSA-N 227.417 3.559 30 20 BHED C[C@@H](CNc1ccc(C#N)cc1)C(C)(C)C 96609882 QXTTYRNIVPIJDA-NSHDSACASA-N 216.328 3.652 30 20 BHED C=CCN(C(=O)CCCCC)c1ccccc1 97111499 LUHVDTBIWGUCRA-UHFFFAOYSA-N 231.339 3.786 30 20 BHED CC[C@H](c1ccc(Cl)cc1)N(C)CCC#N 123035219 JKJDOHOWUYNPCK-CYBMUJFWSA-N 236.746 3.637 30 20 BHED CC[C@H](C#N)Sc1ccc2ccccc2n1 127045520 KVPGHVYQEVOUFN-LLVKDONJSA-N 228.320 3.629 30 20 BHED CC(C)CCC[C@H](C)Nc1ccc(C#N)nc1 129195542 JJKRCVGPVFFWQE-LBPRGKRZSA-N 231.343 3.580 30 20 BHED C=CCC[C@H](C)N[C@H](C)c1ccc(C#N)cc1 135720771 JVTJJRWUIJWPSF-QWHCGFSZSA-N 228.339 3.564 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc2c(c1)CCC2 163313461 DQLZSNNZUNEGAU-STQMWFEESA-N 229.367 3.791 30 20 BHED C=CCCN[C@@H](C)c1ccc(OCC(C)C)cc1 164130990 MUFWXDOWOBZJMI-AWEZNQCLSA-N 247.382 3.948 30 20 BHED Cc1nsc(N[C@H]2CCC[C@H](C)CC2)c1C#N 235670451 DCIJGVDEDUMMGE-ONGXEEELSA-N 249.383 3.704 30 20 BHED CCN(Cc1ccccc1C)[C@H]1CC[C@@H](C#N)C1 278627947 NYNANJDAPVSCOJ-ZBFHGGJFSA-N 242.366 3.509 30 20 BHED N#Cc1nc(Sc2ccccc2)ccc1Cl 301522489 HMLGMEJBCSCLSZ-UHFFFAOYSA-N 246.722 3.758 30 20 BHED C=C(C)CCNc1cccc(OCCC)c1 309487902 WAVCQXMQAGDQFC-UHFFFAOYSA-N 219.328 3.854 30 20 BHED Cc1ccoc1CNc1ccc(Cl)cc1C#N 310121212 ICNBYVPTUJHIEA-UHFFFAOYSA-N 246.697 3.725 30 20 BHED CC[C@@H](C)c1ccc(OCCO[C@@H](C)C#N)cc1 310716332 NZIXFKKFRLDIRU-OLZOCXBDSA-N 247.338 3.508 30 20 BHED C=CCC(C)(C)CN[C@H]1CCC12CCC2 340426618 GQKADCJTYCQHNT-LBPRGKRZSA-N 207.361 3.511 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)C1CCCCC1 379999009 LOBPQRYXEAZEAY-GXTWGEPZSA-N 209.377 3.900 30 20 BHED Cc1cc(C)c(C)c(OCC2(C#N)CCC2)c1 418811312 VVBCETWYLBIUTN-UHFFFAOYSA-N 229.323 3.685 30 20 BHED C=C(CC)CNCc1cscc1C(F)(F)F 449734320 MGAHSDAQFOPEOK-UHFFFAOYSA-N 249.301 3.823 30 20 BHED N#CC1(CSCc2ccccc2)CCC1 450629736 RAJYUSNKWJOITB-UHFFFAOYSA-N 217.337 3.614 30 20 BHED C=C(C)CCNC(=O)Nc1ccc(/C=C/C)cc1 455453348 XGMXQRHNNFZOPS-SNAWJCMRSA-N 244.338 3.807 30 20 BHED C=CCCC1(C(=O)N2C[C@H](C)CC(C)(C)C2)CC1 476614698 XDNZJHAGCGMOBT-CYBMUJFWSA-N 249.398 3.627 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H]1CC2CCC1CC2 497936303 GLVKIRFFDLWJTH-VXGQWTEUSA-N 249.398 3.674 30 20 BHED C=CCCSCCCc1cccc(OC)c1 525725843 VLMZQMASKZMYKN-UHFFFAOYSA-N 236.380 3.937 30 20 BHED C=CCOCCSc1cc(C)ccc1C 549299174 DDWWUJHHTUETPM-UHFFFAOYSA-N 222.353 3.598 30 20 BHED C=CC1CCN(C(=O)C[C@@H]2CCCC[C@H]2C)CC1 599686265 VLGXXTPLZJFCPR-HIFRSBDPSA-N 249.398 3.627 30 20 BHED C[C@@H](CCC#N)CN1CCCC12CCCCC2 602483862 JFTMESRBQVDXBQ-AWEZNQCLSA-N 234.387 3.725 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@H](C)C1CCCC1 678881256 BVDCDDGBIQLIGP-CHWSQXEVSA-N 237.387 3.674 30 20 BHED CCC(CC)NN=C/C(C)=C/c1ccccc1 734364848 IKIAOMHBDUELNU-POKGMEKSSA-N 230.355 3.854 30 20 BHED CCC(CC)NN=Cc1c(C)cc(C)cc1C 734364864 IVPVXAHUNNUBAG-UHFFFAOYSA-N 232.371 3.724 30 20 BHED N#CCCCCOC(=O)C1CCCCCCC1 744138769 FAQZQZJTAILQOJ-UHFFFAOYSA-N 237.343 3.584 30 20 BHED C=CCCC(CC)=NNc1cccc(F)c1 750935885 IZVUSHRHCVSDLO-UHFFFAOYSA-N 220.291 3.970 30 20 BHED CCCCCCCC(=O)Nc1scnc1C 760954308 BAIBZNSQMZMPGM-UHFFFAOYSA-N 240.372 3.751 30 20 BHED C#CCC(C)(C)C(=O)O[C@@H](C)c1cccc(C)c1 767090528 AJTXJWZVDCGHHU-ZDUSSCGKSA-N 244.334 3.649 30 20 BHED Cc1cc(F)ccc1/C=C\C(=O)c1ccco1 769769612 AYXDBSGABOSNIY-ALCCZGGFSA-N 230.238 3.623 30 20 BHED C=CCC[C@@H](Nc1ccc(OC)cc1)C1CC1 776781381 AGDXYLVRFCWNLO-OAHLLOKOSA-N 231.339 3.852 30 20 BHED CCC(CC)NN=Cc1ccc(C(F)F)cc1 794515807 VCBCQULQQAWVCD-UHFFFAOYSA-N 240.297 3.736 30 20 BHED C#CCCN(C[C@@H](C)CC(C)C)CC(F)(F)F 799165476 XMVGXGNWUCNCDU-LBPRGKRZSA-N 249.320 3.556 30 20 BHED CCCCCCCCN(C)CC(C)(C)C#N 814670119 MPTNBUMCDCDTEW-UHFFFAOYSA-N 224.392 3.828 30 20 BHED C=CC(C)(C)CN[C@H](C)c1c(C)cc(C)cc1O 834884260 XOCDZMJQJJDUQJ-CYBMUJFWSA-N 247.382 3.872 30 20 BHED CC(CCc1ccc(F)cc1)=NOC(C)C 835004245 JYAKCNGXJJOQSF-UHFFFAOYSA-N 223.291 3.559 30 20 BHED C[C@H]1CCCCN1N=C1CCC[C@@H]1CCCF 853382362 YMTLADAMLBPGKS-QWHCGFSZSA-N 240.366 3.767 30 20 BHED C=CCCCSc1nc2cnccc2s1 863361773 QXBYHNJMZRBUHO-UHFFFAOYSA-N 236.365 3.750 30 20 BHED CCCCCCCC(=O)N[C@H](C)[C@@H](C)CC 919936164 JKSNBEDNHCIQAB-QWHCGFSZSA-N 227.392 3.898 30 20 BHED C[C@@H](NN=C[C@H]1CC=CCC1)c1ccccc1 920385263 AIUZSIUKCKMHAR-KGLIPLIRSA-N 228.339 3.679 30 20 BHED C=C(C)CCC(=O)Nc1cc(F)ccc1Cl 1337526305 DSVVAEMVXOHLIF-UHFFFAOYSA-N 241.693 3.774 30 20 BHED CC(C)CCN(CCC#N)CCCC1CCC1 1459611686 UCRWWFGUQAWSQS-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C[C@@H]1CCC[C@@H](CCN(CCC#N)CC2CC2)C1 1657466494 CSNUGWXMYLPLHS-CABCVRRESA-N 248.414 3.828 30 20 BHED CCc1ccc(OCc2cccc(C#N)c2)cc1 19804858 CRFZJXGMTAQMMI-UHFFFAOYSA-N 237.302 3.700 30 20 BHED N#Cc1cccc(NC/C=C/c2ccccc2)c1 51789854 ZDMNUJQUYNSSNT-WEVVVXLNSA-N 234.302 3.684 30 20 BHED CC[C@@H](c1ccccc1)[C@@H]1CCCN1CCC#N 69679575 DCEFVGSTDBKCAM-HOTGVXAUSA-N 242.366 3.558 30 20 BHED C=C[C@@H](C)N[C@@H]1CCCc2ccc(C)cc21 126136658 HNHSECDGEIDMRG-IUODEOHRSA-N 215.340 3.537 30 20 BHED C=C(Cl)CN[C@@H]1CCCc2ccc(C)cc21 129781856 YHJWASAXMMZCDU-CQSZACIVSA-N 235.758 3.715 30 20 BHED C=C(CN[C@H](C)[C@H](C)CC)c1ccccc1 132306802 ALSMZPLUYHWEMT-TZMCWYRMSA-N 217.356 3.724 30 20 BHED C[C@@H]1CCCC[C@H]1CNCC(C)(C)CCC#N 135163202 NKOLYSWPWSSIAR-KGLIPLIRSA-N 236.403 3.732 30 20 BHED CC[C@H](c1ccccc1)N(CC)C[C@@H](C)C#N 155212294 BSJUVNHXLSJNIT-DZGCQCFKSA-N 230.355 3.619 30 20 BHED C#CCCCN[C@H](CC)c1ccc(Cl)cc1 174274093 LHDUKUGZNZIXKV-CQSZACIVSA-N 235.758 3.794 30 20 BHED C=CCCCC(=O)Nc1ccc(C)c(OC)c1C 175260046 XCRHUSIDBBUUPS-UHFFFAOYSA-N 247.338 3.607 30 20 BHED CC1=CC(=NNc2nc3ccccc3s2)CC1 254752538 NUWXUTYKQJNGCR-UHFFFAOYSA-N 243.335 3.804 30 20 BHED C=CCC[C@@H](CC)Nc1cccc2c1COC2=O 290134063 JWICORXTFPCQFK-LLVKDONJSA-N 245.322 3.514 30 20 BHED C[C@@H]1CCC[C@@H](CNc2cccc(CC#N)c2)C1 313484795 WJVSXJOODWSLDX-UKRRQHHQSA-N 242.366 3.991 30 20 BHED Cc1ccccc1[C@@H](C)N1CCC(CC#N)CC1 335978200 CABFRPWZKUBGSB-CQSZACIVSA-N 242.366 3.682 30 20 BHED C=CCC1(C(=O)N2CC(C)(C)[C@@H]2C(C)C)CCC1 350747004 IWIVRYFPKWUSBM-ZDUSSCGKSA-N 249.398 3.626 30 20 BHED C=C1CCN(Cc2ccc(SC)cc2)CC1 353327346 BJXIGFMXYQOSKO-UHFFFAOYSA-N 233.380 3.561 30 20 BHED C=CCC[C@H](NCC1CCCC1)C1CC1 380268865 VHASPAVQIFGABT-AWEZNQCLSA-N 207.361 3.511 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1ccc(F)c(C)c1 398065484 DGGKYQCVSVCYKW-GFCCVEGCSA-N 249.329 3.609 30 20 BHED C=C[C@H]1CCCCN1C(=O)C(CCC)CCC 410773412 CGKAIUPKJCNHIQ-AWEZNQCLSA-N 237.387 3.770 30 20 BHED C=CC1CCN([C@H](C)c2cccc(C)c2)CC1 441396354 UIJVRFBOBIMAQE-CQSZACIVSA-N 229.367 3.954 30 20 BHED C=CCCN(C)Cc1cc(C)cc(Cl)c1 513101431 QVELFTLJROROEZ-UHFFFAOYSA-N 223.747 3.656 30 20 BHED C=CC1CCN(Cc2ccc([C@H]3C[C@H]3C)o2)CC1 538730418 KBIPNYXMQVYSDF-DOMZBBRYSA-N 245.366 3.801 30 20 BHED C=CCN(CCCc1ccc(C)cc1)C1CC1 544128355 QWTMNRMSMDFERD-UHFFFAOYSA-N 229.367 3.578 30 20 BHED CN(CCCC1CCCCC1)CC(C)(C)C#N 552084831 AUEGXZPMSINTPN-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)c1ccnc(O)c1 560140066 VLYHPHOXXLQCDP-OLZOCXBDSA-N 248.370 3.573 30 20 BHED CCC(CC)N(CC)Cc1cc(F)ccc1C#N 568134072 MYARSZHNCKDSGL-UHFFFAOYSA-N 248.345 3.708 30 20 BHED C=CCCCCS[C@H](C)c1nnc(CC)o1 591400974 FPNKPALMAUUBSI-SNVBAGLBSA-N 240.372 3.783 30 20 BHED C[C@H]1CCCCC[C@H]1NCC1CCC(C#N)CC1 593626259 RJFGNNSIUYTOOC-SLTXQBBLSA-N 248.414 3.875 30 20 BHED C=CCCSCCN[C@H](C)c1ccccc1 594711397 MSDMPDJDFVBVRP-CYBMUJFWSA-N 235.396 3.647 30 20 BHED CC[C@H](C#N)S[C@H]1CCc2ccccc2C1 594907771 GGOPGQMSDGWOEN-KGLIPLIRSA-N 231.364 3.579 30 20 BHED CC[C@@H](CC#N)NCc1cccc(C(C)C)c1 595529507 JNQXPVZNHBJBRU-HNNXBMFYSA-N 230.355 3.592 30 20 BHED C=CCCCCCN(C)C[C@@H](C)CCC#N 602476680 ZEBYUXDQTBSNJW-AWEZNQCLSA-N 222.376 3.604 30 20 BHED C=CC[C@@H](C)NC(=O)c1ccc(CC(C)C)cc1 604881266 CKQVDVVFSMVLTM-CYBMUJFWSA-N 245.366 3.580 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc(C(F)F)nc1 657919667 UWLXHFADFZIACF-NXEZZACHSA-N 240.297 3.634 30 20 BHED C=CCC[C@H](CCC)NCCc1ccoc1 658198075 INMITKUHHHMUJG-AWEZNQCLSA-N 221.344 3.547 30 20 BHED C[C@H]1CC(=NOC2CCCC2)CC[C@H]1C 767385782 MNYDBOVMPPTGHQ-MNOVXSKESA-N 209.333 3.758 30 20 BHED CC[C@H]1C[C@H](C)CCC1=NNc1ncccc1F 794992765 DBAHICRIWIREEX-MNOVXSKESA-N 249.333 3.835 30 20 BHED COCCCON=C/C=C(/C)CCC=C(C)C 795055662 NUTMMAVTAZUVFA-FINTXESZSA-N 239.359 3.718 30 20 BHED COCCCON=C/C=C(\C)CCC=C(C)C 795055663 NUTMMAVTAZUVFA-LRYYEEJPSA-N 239.359 3.718 30 20 BHED C[C@@H]1CCC(=NOCc2ccc(F)cc2)C1 814903290 BPKDYBNQNJZTEM-SNVBAGLBSA-N 221.275 3.518 30 20 BHED CC(=NO[C@@H]1CCCCO1)[C@H]1CCCC[C@H]1C 834966139 DBXDAPMEMUDADX-KWCYVHTRSA-N 239.359 3.732 30 20 BHED CC[C@@H](C)CON=C1CCC(C)(C#N)CC1 834981424 ORCZMEIDSCJGTM-JTDNENJMSA-N 222.332 3.509 30 20 BHED CC(C)ON=C[C@@]1(C)C[C@@H]1c1ccccc1 841641516 RRZREUZAYZPYDY-ZIAGYGMSSA-N 217.312 3.591 30 20 BHED C=CCCCCCOc1cccc(OCC#N)c1 842110688 OZYJYOHARAKNAW-UHFFFAOYSA-N 245.322 3.714 30 20 BHED C=C1CC(c2noc(/C=C(\C)c3ccco3)n2)C1 896874050 JGYPOAVCJGOWSK-CSKARUKUSA-N 242.278 3.657 30 20 BHED CO[C@H](C)CSCCCCC1(C#N)CCC1 901778457 DGLAXHBPHYHRGN-GFCCVEGCSA-N 241.400 3.619 30 20 BHED CCC[C@H](NCC1(C#N)CCC1)c1ccsc1 903032960 NIGHDMDIQLCXAM-ZDUSSCGKSA-N 248.395 3.873 30 20 BHED CCON=Cc1ccc(-c2cccs2)cc1F 917543658 VDRZRUCHOOTEKK-UHFFFAOYSA-N 249.310 3.925 30 20 BHED C=CCN(C(=O)N[C@@H](C)CCCCC)C(C)C 918056238 PZCYBJLRZKPAMD-ZDUSSCGKSA-N 240.391 3.561 30 20 BHED Cc1ccc(C=NNc2cccc(F)c2)s1 920383220 BVVKHVBVFMTCSS-UHFFFAOYSA-N 234.299 3.642 30 20 BHED Oc1cccc(/C=N\C2CCCCCCC2)c1O 920942437 CVJYJPUGGYADPN-WJDWOHSUSA-N 247.338 3.630 30 20 BHED Cc1cc(N[C@@H](C)CCCC(C)C)ncc1C#N 1162291884 JMRFZEOWNAMOGC-ZDUSSCGKSA-N 245.370 3.888 30 20 BHED Cc1ccc(NN=C[C@H](C)CCC#N)cc1Cl 1343754833 HGBRUOWYJDUWKX-SNVBAGLBSA-N 249.745 3.986 30 20 BHED Cc1cccc(OCc2ccc(C#N)cc2)c1C 11834243 FWFYUQZLLCBOOA-UHFFFAOYSA-N 237.302 3.754 30 20 BHED CC1(C)CC=C(Sc2ccccc2)C1=O 34504160 BWLUNDMMBCBENX-UHFFFAOYSA-N 218.321 3.662 30 20 BHED CCn1c(-c2ccc(C#N)cc2)nc2ccccc21 48526493 ZMFNPBUDEQKLPK-UHFFFAOYSA-N 247.301 3.595 30 20 BHED Cc1ccc(Nc2cccc(F)c2C#N)cc1 57652362 XFMCEFUWFUAPRL-UHFFFAOYSA-N 226.254 3.749 30 20 BHED N#CCN(Cc1ccc(Cl)cc1)C1CCCC1 78003383 KKHAYRBUWJPGFQ-UHFFFAOYSA-N 248.757 3.608 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccccc1Cl 116907858 SZWBEYKPGXMGLW-GHMZBOCLSA-N 223.747 3.955 30 20 BHED C=CCc1ccc(OC(=O)CCCC)c(OC)c1 121563503 SDIIJSQTFOIQRD-UHFFFAOYSA-N 248.322 3.519 30 20 BHED C=C[C@H](C)N[C@H]1CCCc2c(Cl)cccc21 134928483 IKRHWOPBNNURGM-HZMBPMFUSA-N 235.758 3.882 30 20 BHED C=CCCN[C@H](C)c1ccc(F)c(Cl)c1 162201449 GBSZIDAIBUBOIP-SECBINFHSA-N 227.710 3.706 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCCc2cc(OC)ccc21 163318696 UCAYZOJAMDLDEN-MLGOLLRUSA-N 245.366 3.627 30 20 BHED CCC(CC)(CC)CN[C@@H]1CCC[C@H](C#N)C1 185858989 JIQLRBHWGASXOE-UONOGXRCSA-N 236.403 3.875 30 20 BHED C[C@H](c1cccc(C#N)c1)N(C)CC1CCCC1 187664763 ZSPSYRZXFUXZPO-CYBMUJFWSA-N 242.366 3.741 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(OCC)cc1C 294419394 KIPCQCAHBAVALZ-UHFFFAOYSA-N 247.338 3.544 30 20 BHED C=CCCCCNc1cccc(Cl)n1 308451372 BNQSVKCYUGHZKG-UHFFFAOYSA-N 210.708 3.503 30 20 BHED C=CCC[C@H](NCCC1CCC1)C1CC1 309021654 XMYXMTIBQCPTJJ-AWEZNQCLSA-N 207.361 3.511 30 20 BHED C=CCCSCc1csc(CCC)n1 339089817 BZPAXGACPZDDFJ-UHFFFAOYSA-N 227.398 3.905 30 20 BHED CC(C)(CCC#N)CN1CC[C@@H](C(C)(C)C)C1 346359318 HVTLEECCJYFHPC-CYBMUJFWSA-N 236.403 3.684 30 20 BHED CN(Cc1ccc(C#N)cc1)[C@H]1CCC(C)(C)C1 347318529 XBFGWVKBMQNIJO-HNNXBMFYSA-N 242.366 3.569 30 20 BHED C=CCCCC(=O)N1C[C@H](C)Cc2ccccc21 360133847 UXADOCBWSXJWMG-CYBMUJFWSA-N 243.350 3.568 30 20 BHED CC1(C)C[C@@H]1CNc1c(Cl)cccc1C#N 381207998 GOYDLKHTNQXWGU-SNVBAGLBSA-N 234.730 3.670 30 20 BHED C=CCCCCC[C@@H](C)NCC(C)(C)C#N 381446534 GABQLJNNFRNUBE-CYBMUJFWSA-N 222.376 3.651 30 20 BHED C=CC(C)(C)C(=O)Nc1cccc(CC)c1CC 410764065 ZXCSVINEDBSUNP-UHFFFAOYSA-N 245.366 3.962 30 20 BHED C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1Cl 424116895 BXPFCRJRTNJABF-GRYCIOLGSA-N 248.757 3.683 30 20 BHED C=CCCC1(C(=O)NC2CCC(CC)CC2)CC1 474702634 DFNFIZYPQLYFIW-UHFFFAOYSA-N 249.398 3.818 30 20 BHED C=C(C)CNCc1cccc(OC2CCCC2)c1 512383928 HVPLXCPVALDJQQ-UHFFFAOYSA-N 245.366 3.674 30 20 BHED C=C(CC)CSCc1ccc(CC#N)cc1 544084249 RLNVXBOTKDEFPG-UHFFFAOYSA-N 231.364 3.952 30 20 BHED C=CCCOc1ccc(OC)c2ccccc12 549514448 LPOYQXAPPKWQTF-UHFFFAOYSA-N 228.291 3.803 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1ncccc1CC 556217552 MXDUCOOZOZFNME-CYBMUJFWSA-N 246.398 3.897 30 20 BHED C=C1CCN(C(=O)C[C@@H](CC)CCCC)CC1 604976588 KUBCSHZXNJSURT-AWEZNQCLSA-N 237.387 3.772 30 20 BHED C#CCCNc1cccc(-c2ccccc2)c1 689685570 WCJALHZWHRYIKE-UHFFFAOYSA-N 221.303 3.789 30 20 BHED CCCCCCC(C)=NN=C(C)c1cnccn1 745206360 AHSWJAZMTXYZEL-UHFFFAOYSA-N 246.358 3.632 30 20 BHED C=C(Cl)CN1CC[C@H](Cc2ccccc2)[C@@H]1C 747532185 VGLFFBCPIPQTMA-DZGCQCFKSA-N 249.785 3.692 30 20 BHED C[C@H]1C[C@@H]1C=NNc1ccc(Cl)c(F)c1 758377680 BINGTSWTEBATSN-JGVFFNPUSA-N 226.682 3.533 30 20 BHED C[C@@H]1C[C@H]1c1ccc(C=NOC2CCCC2)o1 774596406 DOXKGOANJVSGIE-ZWNOBZJWSA-N 233.311 3.696 30 20 BHED CC[C@@H]1C[C@H](C)CCC1=NNc1ccnc(F)c1 781130174 PLTJFNJPLXBFJQ-GHMZBOCLSA-N 249.333 3.835 30 20 BHED Cc1cccnc1NN=C1CCCCCCC1 790190234 HNZIHBUFRZNBQW-UHFFFAOYSA-N 231.343 3.902 30 20 BHED C[C@@H]1CC(=NN[C@H](C)C(C)(C)C)C[C@@H](C)C1 793111798 LWTSBTYSAXGIFZ-SDDRHHMPSA-N 224.392 3.823 30 20 BHED CSCCON=Cc1ccc(C2CCC2)cc1 814921914 JVPAQNKRFKPPPO-UHFFFAOYSA-N 249.379 3.668 30 20 BHED N#CC1(CCCCOC(=O)C=C2CCC2)CCC1 909068001 KVOJIGPMQSVWAG-UHFFFAOYSA-N 247.338 3.504 30 20 BHED C=C(C)CCC(=O)Nc1ccccc1NCCC 1335893551 ZCKRLYJRYYFWOM-UHFFFAOYSA-N 246.354 3.803 30 20 BHED C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1 1665827598 XXACDUWUWUNUDD-XUJVJEKNSA-N 246.329 3.559 30 20 BHED C#Cc1cccc(N[C@H](C)[C@H](C)CC)c1 21791872 KPYLHGBJAOETIM-VXGBXAGGSA-N 201.313 3.514 30 20 BHED Cc1ccoc1C(=O)/C=C/c1cccc(F)c1 119004678 ALERHQVFOGPJEV-AATRIKPKSA-N 230.238 3.623 30 20 BHED C=CCCN(Cc1ccc(F)cc1F)C1CC1 132567664 ULCQTSQXTDQCAY-UHFFFAOYSA-N 237.293 3.505 30 20 BHED CC#CCCSc1ccc(C(F)(F)F)cn1 155120364 FZHBTPOPMIGIHR-UHFFFAOYSA-N 245.269 3.606 30 20 BHED CC#CCCN1CCCCC[C@H]1c1ccco1 155741146 UJVPRFHFOBTJGE-AWEZNQCLSA-N 231.339 3.610 30 20 BHED C#CCCCN[C@H]1CC[C@H](C)c2ccccc21 178059255 GBVOPKWATWZANQ-BBRMVZONSA-N 227.351 3.628 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc(N(C)CC)cc1 246428229 NREDNYFDFXSSPI-KGLIPLIRSA-N 246.398 3.758 30 20 BHED C[C@@H](CCC#N)N[C@@H](C)c1ccccc1Cl 276322504 OZKPZOKSLCZNMK-QWRGUYRKSA-N 236.746 3.683 30 20 BHED C=CCCN(C)C(=O)C[C@@H](C)c1ccccc1C 276352390 HUBKKMUKHXUATN-CQSZACIVSA-N 245.366 3.523 30 20 BHED C[C@H](N[C@H](C)CCC#N)c1cccc(C2CC2)c1 298463252 RUYHHMCTHOUEAE-OLZOCXBDSA-N 242.366 3.907 30 20 BHED CCSCC[C@H](C)N(C)c1ccc(C#N)cc1 301437113 MTEOSXBMXDTZFO-LBPRGKRZSA-N 248.395 3.526 30 20 BHED C#CCCCNc1cccc2ccsc12 308823738 HJLMYNCOFODHQS-UHFFFAOYSA-N 215.321 3.727 30 20 BHED C=C(Cl)CNC[C@@H](CC)c1ccccc1 309231551 WUGNVVHFHJWKLN-GFCCVEGCSA-N 223.747 3.522 30 20 BHED C=C(C)CCS[C@H](C)c1cccnc1 342024954 PIYWMROJELAWMM-LLVKDONJSA-N 207.342 3.842 30 20 BHED C=CCCC(=O)N[C@@H]1CCCCC12CCCC2 368291074 KVVJAIXDZYCSAK-CYBMUJFWSA-N 235.371 3.572 30 20 BHED C=CC[C@H](CC)N[C@@H]1CC[C@H](C)C[C@@H]1C 379920415 HDSNCHSBNGUDCE-XDQVBPFNSA-N 209.377 3.755 30 20 BHED CC(C)[C@@H](C)SCC1(C#N)CCCC1 405146380 ZRQCXJAAHHAPSJ-LLVKDONJSA-N 211.374 3.848 30 20 BHED COc1ccccc1CS[C@H](C)CCC#N 412993598 NZOBLTKAEROCNW-LLVKDONJSA-N 235.352 3.621 30 20 BHED C=CCSC[C@H]1CCC2(CCCCC2)O1 466732079 XJAAXVGRFJYGLG-GFCCVEGCSA-N 226.385 3.788 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ncccc1CC 467414950 XGGVMJWBNLDZNE-GXTWGEPZSA-N 232.371 3.649 30 20 BHED C=C[C@@H]1CCCCN1Cc1cc(F)cc(F)c1 489407501 PXEPMDZKBZTFET-CQSZACIVSA-N 237.293 3.505 30 20 BHED C=CCCN1CC[C@H]1c1ccc(Cl)cc1 555014786 MTCJZQAGTROXCT-ZDUSSCGKSA-N 221.731 3.663 30 20 BHED C=CCOCCSCC1CCCCC1 558831564 JZADQDZGXFMITC-UHFFFAOYSA-N 214.374 3.503 30 20 BHED CCC(C)(C)CCN1CCC(CCC#N)CC1 592135517 LVEZXAXNUCHDEG-UHFFFAOYSA-N 236.403 3.828 30 20 BHED CCC[C@@H](N[C@@H](C#N)c1ccccc1)C1CCC1 595535232 VUOLIMVGLRBQBL-CVEARBPZSA-N 242.366 3.810 30 20 BHED N#Cc1cc(F)cc(N[C@@H]2CCC23CCCC3)c1 693787607 TZUSNXSEODQTRP-CQSZACIVSA-N 244.313 3.832 30 20 BHED C=CC[C@H](C)C(C)=NNc1ncccc1Cl 727778581 MZQKUGYLIOEPPG-VIFPVBQESA-N 237.734 3.735 30 20 BHED CCCCCCCC(=O)NC(C)(C)C1CC1 741609277 ALUFXDJVTNZUPT-UHFFFAOYSA-N 225.376 3.652 30 20 BHED CCCCCCCCNC(=O)N1CCC1(C)C 755074961 JAWISJZFMUQZJS-UHFFFAOYSA-N 240.391 3.541 30 20 BHED CCCCCCCC(=O)Nc1ccc(C)nc1C 755620130 GLHPQPZPESYEMJ-UHFFFAOYSA-N 248.370 3.997 30 20 BHED C#CC[C@@H](NCc1ccc(C)cc1)c1ccccc1 756994969 AFVARVQUNPCYPJ-GOSISDBHSA-N 249.357 3.849 30 20 BHED Cc1ccc(C(=O)/C=C\c2cccs2)c(O)c1 757475345 JFIZGILHGCWWHY-ALCCZGGFSA-N 244.315 3.658 30 20 BHED CCC(=NNCc1ccc(Cl)cc1)C1CC1 764718419 NLQKYZADSLAYJQ-UHFFFAOYSA-N 236.746 3.606 30 20 BHED C#CCCCNc1ccc(C(F)(F)F)c(C)c1 766729364 OEFLFGWDOGLFHI-UHFFFAOYSA-N 241.256 3.839 30 20 BHED CC(=NNc1cccc(C#N)c1)C1CCCCC1 767335362 BUBCGRRJSJMTNH-UHFFFAOYSA-N 241.338 3.926 30 20 BHED C#C[C@@H](C)N(C)C[C@@H](CCC)c1ccccc1 775180526 ZCSYDSVDNLNKDF-GDBMZVCRSA-N 229.367 3.524 30 20 BHED Cc1cc2ccccc2nc1NN=CC1(C)CC1 782268568 RHHUUMKPHIGNQC-UHFFFAOYSA-N 239.322 3.741 30 20 BHED CC(C)C(=NN[C@H]1CCCC1(C)C)C1CC1 782302867 VANWEOQIEDTPPT-LBPRGKRZSA-N 222.376 3.577 30 20 BHED C[C@H]1C[C@H]1c1ccc(C=NNCCC(C)(C)C)o1 782906880 FXIUMWWSBCWOGU-WCQYABFASA-N 248.370 3.763 30 20 BHED CC(C)(C)CC(=NNc1ccnc(F)c1)C1CC1 787161530 BLGGGXOBMJRLIM-UHFFFAOYSA-N 249.333 3.835 30 20 BHED CC[C@H](C)CON=C1CC[C@H]1c1ccccc1 793146869 VYKOKPLJSKCKHN-JSGCOSHPSA-N 231.339 3.983 30 20 BHED CC[C@H]1C[C@@H](C)CCC1=NOCCSC 794576929 KUMAGVWPNOLJQI-QWRGUYRKSA-N 229.389 3.568 30 20 BHED COc1ccccc1CON=C[C@@H](C)C(C)(C)C 800817291 KKOVNEZXNXJYFE-GFCCVEGCSA-N 249.354 3.880 30 20 BHED C=C(C)CCNc1ccc(OC(C)C)cc1F 809188954 WTZUONHXIJOGDO-UHFFFAOYSA-N 237.318 3.991 30 20 BHED CC[C@H](C=NOC1CCC1)c1ccccc1 814936526 XJAQILOXQCDSOB-GFCCVEGCSA-N 217.312 3.735 30 20 BHED C[C@@H](CC(C)(C)C#N)OC(=O)CCC(C)(C)C 851209859 PVMMHKCQRBOQLU-NSHDSACASA-N 239.359 3.684 30 20 BHED Cc1cccc(NN=C[C@H]2CCCC[C@H]2C)n1 863160302 YORQPHIENWHIDF-DGCLKSJQSA-N 231.343 3.614 30 20 BHED Oc1ccc(Cl)cc1/C=N/C[C@@H]1CC=CCC1 920991541 UTDTWUDUILOTAE-HPUUJOOBSA-N 249.741 3.821 30 20 BHED N#C[C@H](S[C@@H]1CCOc2ccccc21)C1CC1 1559385684 SBRMSPHGPPHQRI-KGLIPLIRSA-N 245.347 3.546 30 20 BHED CCCCCCCC(=O)c1ccncc1 3623672 NFJVDNUUKKYRHM-UHFFFAOYSA-N 205.301 3.625 30 20 BHED C[C@H](Nc1ccc(C#N)cc1)c1cccc(C#N)c1 37212188 RPSLEZSKZGDIME-LBPRGKRZSA-N 247.301 3.603 30 20 BHED C[C@@H](NCCC1CCCC1)c1cccc(C#N)c1 37739780 PANBZVCMNBYBPA-CYBMUJFWSA-N 242.366 3.789 30 20 BHED Cc1ccc(CN(CCC#N)CC(C)C)cc1C 43419735 DRWNBVBNLNRCOD-UHFFFAOYSA-N 244.382 3.675 30 20 BHED COc1ccc(C#N)cc1CSC1CCCC1 129269849 KDQPEHNDTLUKST-UHFFFAOYSA-N 247.363 3.743 30 20 BHED C=C(Cl)CN[C@H]1CCCc2ccc(C)cc21 129782046 YHJWASAXMMZCDU-AWEZNQCLSA-N 235.758 3.715 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc(SC)cc1 157268170 QAMAUWTWRUQWDA-GHMZBOCLSA-N 221.369 3.634 30 20 BHED C=CCCN[C@@H]1CCCC[C@@H]1c1ccccc1 161739867 KOJVWEXJGUHWLE-HZPDHXFCSA-N 229.367 3.879 30 20 BHED Cc1cc(C#N)ccc1CSCC(C)C 165995910 CXZXPPPALGZCCQ-UHFFFAOYSA-N 219.353 3.756 30 20 BHED C=C(C)CCNc1ccc(Cl)cc1F 168969187 AMRMBFMRZGRACW-UHFFFAOYSA-N 213.683 3.857 30 20 BHED C=CCNc1ccccc1OC1CCCC1 174948175 ACLUENWKODTQNZ-UHFFFAOYSA-N 217.312 3.606 30 20 BHED C=C(C)CN(C)C(=O)c1ccc(C(C)(C)C)cc1 180457701 UFLHIBZLVZEXGN-UHFFFAOYSA-N 245.366 3.632 30 20 BHED C#CCCCCN[C@@H]1CCCc2cc(F)ccc21 183331294 ZYOZCLMIDNEDIF-MRXNPFEDSA-N 245.341 3.596 30 20 BHED CSc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 185724148 MCIKVNWSMDRYGV-YPMHNXCESA-N 246.379 3.903 30 20 BHED C#CCCCC(=O)Nc1ccccc1C(C)C 192044261 QFBYOOOILDBXAD-UHFFFAOYSA-N 229.323 3.552 30 20 BHED N#C[C@@H]1CCC[C@@H](Nc2cccc(Cl)c2)C1 193088631 IWDGGLORWXGKDO-ZYHUDNBSSA-N 234.730 3.834 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCC[C@@H](SC)C1 228612518 HTHKITUPPXWSEK-YNEHKIRRSA-N 227.417 3.605 30 20 BHED O=C1/C(=C/c2ccsc2)Cc2ccc(F)cc21 255509029 KYMBJEGZFKMDNT-VZUCSPMQSA-N 244.290 3.710 30 20 BHED C=CCN(C)C(=O)c1ccc(C2=CCCC2)cc1 290866333 ZYXYVIGRFCNCEI-UHFFFAOYSA-N 241.334 3.512 30 20 BHED C=CCC(C)(C)C(=O)N(C)Cc1cccc(C)c1 292280050 OMCBRZYXFCMILQ-UHFFFAOYSA-N 245.366 3.556 30 20 BHED CCCCCCCN[C@H]1CCC12CCC2 309177105 NCUZDLJEQWJBHH-ZDUSSCGKSA-N 209.377 3.879 30 20 BHED C=CCC[C@@H](C)Nc1cccc(CC#N)c1 313414368 YGMMGXNBVVDNJZ-GFCCVEGCSA-N 214.312 3.519 30 20 BHED C=C(CC)CN[C@H](C)c1ccccc1OCC 313537598 OEDKVAHCYBSLSH-CYBMUJFWSA-N 233.355 3.702 30 20 BHED Cc1cccc([C@H](C)N2CCC(CC#N)CC2)c1 335977024 FJENOHYCXCICDP-AWEZNQCLSA-N 242.366 3.682 30 20 BHED C=CC[C@H](C(=O)NC[C@H](C)CC)c1ccccc1 421596177 OYNJKDQVEOUKGE-HIFRSBDPSA-N 245.366 3.509 30 20 BHED N#C[C@@H]1CCC[C@@H](N[C@@H]2CCC[C@H](C3CC3)C2)C1 424342196 FKNRPNMEIFOVAZ-SLBVQIDZSA-N 246.398 3.627 30 20 BHED C=CCN(CCC#N)[C@H](C)c1ccc(Cl)cc1 428885197 ZZSFOBOCGJZDDR-GFCCVEGCSA-N 248.757 3.803 30 20 BHED CC(C)[C@@H]1CCC[C@H](NCC(C)(C)CC#N)C1 459738972 YOCSNXMQMLPONP-KGLIPLIRSA-N 236.403 3.731 30 20 BHED C=CCN(CC)[C@H](Cc1ccc(F)cc1)C(C)C 464767455 DDYWGZJLEBQAIB-MRXNPFEDSA-N 249.373 3.901 30 20 BHED C=CC[C@H]1N(C(=O)CCCC)CCCC1(C)C 470305583 CBVZFORVRXJSKO-CYBMUJFWSA-N 237.387 3.770 30 20 BHED C=C(C)COc1cccc(NC[C@H]2C[C@@H]2C)c1 488328834 XNPWMRREXSDYSI-QWHCGFSZSA-N 231.339 3.709 30 20 BHED N#Cc1cnc(Oc2cccc(F)c2)c(Cl)c1 522272169 ZDIMSAFGSAKDLP-UHFFFAOYSA-N 248.644 3.538 30 20 BHED C=CCC(C)(C)c1noc([C@H]2C[C@@]2(C)CC)n1 556363353 XFBOJAFBCIZINC-QMTHXVAHSA-N 234.343 3.827 30 20 BHED Cc1ccc(Cn2cc(C)c(C#N)c2)c(Cl)c1 562605042 BJUKQVBRJFISQD-UHFFFAOYSA-N 244.725 3.678 30 20 BHED C=CC[C@@H]1CCCC[C@H]1NCCC(C)(F)F 658022716 CXJOXOIYJDLNDE-VXGBXAGGSA-N 231.330 3.756 30 20 BHED CC[C@H](C#N)OC(=O)c1ccc([C@H](C)CC)cc1 756303291 ZMFVDCFSQNBSSQ-BXUZGUMPSA-N 245.322 3.659 30 20 BHED CCON=Cc1cc(Cl)c2ccccc2c1O 774589056 HCGCRBUSNGXACA-UHFFFAOYSA-N 249.697 3.569 30 20 BHED C[C@H]1CCCC[C@@H]1C=NOCCC(F)(F)F 777462827 NLXUSGAWAUUFRZ-VHSXEESVSA-N 237.265 3.768 30 20 BHED CC1(C)CCC[C@H](C=NNc2cccc(F)n2)C1 795007039 OSOWDLQXUACHCX-NSHDSACASA-N 249.333 3.835 30 20 BHED C=CCCCCCCNC(=O)C1(C)CCCC1 805220221 ICJBGNNJNMJPTI-UHFFFAOYSA-N 237.387 3.819 30 20 BHED C#CCCCc1nc(CCC2CCCCC2)no1 809335596 GEACOUYFCGZMPU-UHFFFAOYSA-N 246.354 3.538 30 20 BHED C#Cc1ccc(CNc2ccccc2C)cc1 809594983 BQDQHSLOXSKWDE-UHFFFAOYSA-N 221.303 3.588 30 20 BHED C=CCCCCCCCN[C@@H]1CCOC[C@H]1C 810244037 XVHCUPWPCYTKLX-HUUCEWRRSA-N 239.403 3.528 30 20 BHED C=C(C)C(C)(C)C(=O)OC[C@H]1CCC(F)(F)C1 820982307 GOLSMOVMNFXBSX-JTQLQIEISA-N 246.297 3.567 30 20 BHED Cc1cnc(C=NNc2ccc(C(C)C)cc2)o1 835018334 LZBBYYCBLBIIDJ-UHFFFAOYSA-N 243.310 3.552 30 20 BHED CC(=NOCC(F)(F)F)[C@@H]1C[C@H]2C=C[C@H]1CC2 842529318 VSNZDAJGYRFCOQ-DCAQKATOSA-N 247.260 3.544 30 20 BHED C=C(C)CON=C(C)[C@@H]1C[C@H]1c1cccs1 844620087 HLOACWRCZUOLQO-NWDGAFQWSA-N 235.352 3.820 30 20 BHED CCC(=NNc1ccc(Cl)cn1)[C@@H]1C[C@@H]1C 853434088 AYDXIYNPZKGBDB-WCBMZHEXSA-N 237.734 3.569 30 20 BHED C=C(C)[C@@H](C)OC(=O)/C=C(/C)c1cccs1 857018612 IKOSRXZXHYQCJA-HIJJYWJESA-N 236.336 3.659 30 20 BHED N#CC1(CCCCOC(=O)C2CCCC2)CCC1 908700473 LRKSKTBBSNZQPU-UHFFFAOYSA-N 249.354 3.584 30 20 BHED CCCCCCCCC(=O)NC[C@@H]1C[C@H]1C 915289779 GCSJRVSDUVFBFS-OLZOCXBDSA-N 225.376 3.509 30 20 BHED C=CCN(Cc1ccc(Cl)cc1)C(C)C 917069501 QEYHMZYVXLKTBK-UHFFFAOYSA-N 223.747 3.736 30 20 BHED Fc1cccc(NN=C/C=C/c2ccco2)c1 920386164 SKOGFOJQHQGBAD-JOYGOLBRSA-N 230.242 3.530 30 20 BHED CCOc1ccc(C#N)cc1N[C@H](C)CC(C)C 1180739427 AGOALPAYEREIFN-GFCCVEGCSA-N 246.354 3.803 30 20 BHED C#CCCCCCC(=O)NC[C@@H]1CCC[C@@H]1CC 1344379376 TWFOFQIJGCICJU-GJZGRUSLSA-N 249.398 3.513 30 20 BHED C=C(CC(C)C)C(=O)N[C@@H](C)c1ccsc1 1349809894 IHNINBBGTQDMOF-NSHDSACASA-N 237.368 3.528 30 20 BHED C[C@@H](CCC#N)CN[C@H](C)C1CCCCCC1 1657697348 XCTWYZDGUIUOBQ-UONOGXRCSA-N 236.403 3.875 30 20 BHED C[C@@H](NC[C@H]1CC=CCC1)c1cccc(C#N)c1 45629217 BAISLEUPNYYHFO-KGLIPLIRSA-N 240.350 3.565 30 20 BHED Cc1cccc(C)c1CNc1cccc(C#N)c1 83363859 JQDWTOLJNDLSIJ-UHFFFAOYSA-N 236.318 3.787 30 20 BHED Cc1nsc(NCC2CCC(C)CC2)c1C#N 92912424 BEOCUUZMMXCIRO-UHFFFAOYSA-N 249.383 3.561 30 20 BHED N#Cc1ccc2nc(N[C@@H]3CC=CCC3)ccc2c1 92914009 HWJAOJRWECMFFV-CQSZACIVSA-N 249.317 3.627 30 20 BHED CCN(CCCCC#N)[C@@H](C)c1ccc(F)cc1 102397555 GMCPBPBQELPYBR-ZDUSSCGKSA-N 248.345 3.902 30 20 BHED Cc1ccoc1C(=O)/C=C/c1sccc1C 119025622 FFSVKNQBQPKQKO-ONEGZZNKSA-N 232.304 3.854 30 20 BHED C=CCC(CC=C)C(=O)N1CCCCCCC1 121706287 FCOAUODUQMKXHJ-UHFFFAOYSA-N 235.371 3.548 30 20 BHED C=C(Cl)CN[C@@H](CC)c1ccc(F)cc1F 129803539 BTJLJRWUCSKLJN-LBPRGKRZSA-N 245.700 3.758 30 20 BHED C=CCCNC1CC(c2ccc(Cl)cc2)C1 168506375 DAUYLTRIDDIDBQ-UHFFFAOYSA-N 235.758 3.752 30 20 BHED C=C(CN[C@@H]1CCCC1(C)C)c1ccccc1 211893467 AJEIXEUVKHBQFS-OAHLLOKOSA-N 229.367 3.868 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H]1CCCc2occc21 246958725 ILBQFHULYZYNLD-SCRDCRAPSA-N 233.355 3.847 30 20 BHED C[C@H]1CCC[C@H](COc2ccccc2C#N)C1 305977010 QSESVVZSYJJWDW-STQMWFEESA-N 229.323 3.763 30 20 BHED C=CC[C@@H](C)[C@H](C)NCc1cscc1C 309010922 RWAUBOLETMPXRC-PWSUYJOCSA-N 223.385 3.747 30 20 BHED C=CCC(C)(C)CNc1sccc1[N+](=O)[O-] 309817943 CJNCXMCSKODJNH-UHFFFAOYSA-N 240.328 3.671 30 20 BHED C=CCCCCCCNCc1ccc(C)nc1 310335369 ZXIKMDZRZYBNOW-UHFFFAOYSA-N 232.371 3.616 30 20 BHED C=C(CNCc1ccsc1C)c1ccccc1 339210033 JFXJKJUFJKHHEG-UHFFFAOYSA-N 243.375 3.860 30 20 BHED C=C(C)CCN(CCC#N)CC(CC)CC 352029408 RIBGORVSVGRWFG-UHFFFAOYSA-N 222.376 3.604 30 20 BHED C=C1CCN(Cc2cc3ccccc3o2)CC1 353336552 ZAIJUSICDWEKEP-UHFFFAOYSA-N 227.307 3.585 30 20 BHED Cl/C=C\CON=Cc1ccc(Cl)s1 388308874 QTJGXAMASGQKSK-IJSPEROBSA-N 236.123 3.505 30 20 BHED C=CCN(CC=C)[C@@H](C)c1cccc(F)c1 411162569 HAOUBTDXUKZSNF-LBPRGKRZSA-N 219.303 3.561 30 20 BHED C=CCCCC[C@H](C)NCc1c(C)noc1C 449098866 RMCNIRGEBMRQDX-NSHDSACASA-N 236.359 3.516 30 20 BHED C=CCC[C@@H](CCC)NCCC[C@@H]1CCOC1 449678738 BSEDUNZZDDUFOM-HUUCEWRRSA-N 239.403 3.528 30 20 BHED C=C(C)CN1C[C@H](c2ccc(C)cc2)C[C@H]1C 490065650 KMVPJTFJQHCINO-GDBMZVCRSA-N 229.367 3.749 30 20 BHED C=CCC[C@H](CCC)NC[C@H]1CCC[C@@H]1OC 538195783 RPUJHXNGUQIUAC-ILXRZTDVSA-N 239.403 3.526 30 20 BHED C=CC[C@H](C)N[C@@H]1c2cc(F)ccc2C[C@@H]1C 540171874 FJZUTTIWYSUIKN-PGUXBMHVSA-N 233.330 3.613 30 20 BHED C[C@H](CCC#N)CN1CC[C@@H]1c1cccc(F)c1 602485012 MBZKOXVJIKXLDX-IUODEOHRSA-N 246.329 3.512 30 20 BHED CCCCN(Cc1ccc(C#N)cc1)CC(C)C 604493548 DZQFCMAQCODNBD-UHFFFAOYSA-N 244.382 3.816 30 20 BHED C=CCCSCCOc1cc(C)cc(C)c1 610087532 DDCNHXKCLRHIFY-UHFFFAOYSA-N 236.380 3.992 30 20 BHED CC/C=C/CCN[C@@H](C)c1cccc(C#N)c1 613450971 VRZNXAQIYWRBMV-IHVVCDCBSA-N 228.339 3.565 30 20 BHED C=CCN(C(=O)C[C@H]1CCC[C@@H]1C)C(C)(C)C 622944994 NZPBPCWGTCSUPZ-QWHCGFSZSA-N 237.387 3.626 30 20 BHED C=CCCN[C@@H]1CC(C)(C)c2cc(OC)ccc21 658113902 JHYNZEGKVAZMMK-OAHLLOKOSA-N 245.366 3.583 30 20 BHED C=CCC[C@H](NC[C@@H](C)C1CC1)c1ccco1 671743819 VZOZXCQPUMBZSG-OCCSQVGLSA-N 233.355 3.923 30 20 BHED C=CCCOC(=O)c1[nH]c2ccccc2c1Cl 729072738 WXXITLODXPICSB-UHFFFAOYSA-N 249.697 3.554 30 20 BHED CCCON=Cc1c(OC)ccc2ccccc12 754280647 XVLISLTURVRTMZ-UHFFFAOYSA-N 243.306 3.609 30 20 BHED CC(=NOCC(F)F)c1cccc2ccccc12 758903647 NJOJSDZFYOGDJL-UHFFFAOYSA-N 249.260 3.846 30 20 BHED C#CCCNc1ccccc1S[C@@H](C)CC#N 760295274 FHCZMMWBCJDIBP-LBPRGKRZSA-N 244.363 3.516 30 20 BHED CC1(C)CCC[C@H]1NN=C1CCCCCC1 782289696 VLRBMWRKCQKDLB-CYBMUJFWSA-N 222.376 3.865 30 20 BHED C[C@H](CCC#N)SCCSC(C)(C)C 783550652 BANYHOPZSUQDJH-SNVBAGLBSA-N 231.430 3.944 30 20 BHED COc1ccc(NN=C2CCC23CCCC3)cc1 788721998 LBFUZUVNGYENGH-UHFFFAOYSA-N 244.338 3.817 30 20 BHED C=CCCCC(=O)Oc1cc(F)c(F)cc1C 791421992 INLFGJLETYHWHQ-UHFFFAOYSA-N 240.249 3.535 30 20 BHED C=C(Cl)CN(C)Cc1ccccc1SC 791599341 DXTCKGHFDMVCDE-UHFFFAOYSA-N 241.787 3.593 30 20 BHED CCCCCCCN1CCC[C@@H]1[C@@H]1CCCO1 792929283 ZEODKFKZNVLLKC-CABCVRRESA-N 239.403 3.600 30 20 BHED CC(C)C[C@H](C)C=NNc1ccccc1[N+](=O)[O-] 799105186 OJVPLGYZZMPWFM-NSHDSACASA-N 249.314 3.675 30 20 BHED C#CCCN(C[C@H](C)C(C)(C)C)CC(F)(F)F 802649671 OJWOHISSCPSASL-NSHDSACASA-N 249.320 3.556 30 20 BHED CC(CSC(C)(C)C)=NOCCC1CC1 814246385 KDKKCFFWMOARKL-UHFFFAOYSA-N 229.389 3.711 30 20 BHED C[C@H](S[C@H](C#N)C1CC1)c1cccs1 865357240 HSYVQJQCOFXLOH-GZMMTYOYSA-N 223.366 3.844 30 20 BHED C=CCC[C@H]1CCCN1C(=O)CC(C)(C)C=C 1121154019 FNHLFLFUPYUPSD-ZDUSSCGKSA-N 235.371 3.546 30 20 BHED C=C(CC(C)C)C(=O)Nc1c(C)cccc1OC 1528322258 HVCVZAPTPROPIU-UHFFFAOYSA-N 247.338 3.544 30 20 BHED Cc1ccc(SCc2ccc(C#N)s2)nc1 1613474885 FIKTVCNTRKPRQT-UHFFFAOYSA-N 246.360 3.616 30 20 BHED CC1(C#N)CN(CC2CCC(C(C)(C)C)CC2)C1 1642930899 ZEAKMQORQNHEES-UHFFFAOYSA-N 248.414 3.684 30 20 BHED C[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2)[C@@H]1C 20556574 QEHGJPMOEIHGPA-LALPHHSUSA-N 228.339 3.795 30 20 BHED C[C@@H]1CCC[C@H](Sc2ccc(C#N)cn2)C1 54690674 USSHCOKBLKFXGX-PWSUYJOCSA-N 232.352 3.624 30 20 BHED Cc1ccc(F)c(OCc2ccc(C#N)cc2)c1 85555725 POVPRJOKSRQYOO-UHFFFAOYSA-N 241.265 3.585 30 20 BHED CC1(C)CCC[C@H]1Nc1ccc(OCC#N)cc1 94303453 WXKWUZZTYNURIQ-CQSZACIVSA-N 244.338 3.580 30 20 BHED C#CCCCCN[C@@H]1CCC[C@@H](C(F)(F)F)C1 130190981 ARRJFDJQCQTPJM-VXGBXAGGSA-N 247.304 3.501 30 20 BHED CC(C)C[C@H](C)Nc1c(F)cc(C#N)cc1F 133587760 KCKLKNRIQQEWIA-VIFPVBQESA-N 238.281 3.683 30 20 BHED CC[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)s1 135676284 JDMOIBVHBYTFLH-RISCZKNCSA-N 248.395 3.678 30 20 BHED C=C(C)CCN[C@H](C)c1cccc(C)c1 169010846 YJOQZUYUDGGTLB-CYBMUJFWSA-N 203.329 3.612 30 20 BHED C=CCCC[C@@H](C)NC(=O)N(CCC)CCC 181424213 CEASOZCLWUCFGC-CYBMUJFWSA-N 240.391 3.563 30 20 BHED C=CCCCCCO[C@H]1CCCc2c[nH]nc21 195410373 YRKTXCLRUZCHFY-ZDUSSCGKSA-N 234.343 3.550 30 20 BHED CCN(C[C@H](C)C#N)[C@H](C)c1ccccc1C 245796662 OSNPGPWEKDYBIC-TZMCWYRMSA-N 230.355 3.538 30 20 BHED CCc1ccc(C(=O)/C=C\c2cccc(F)c2)o1 255194956 RKRDPQLNWFUAFZ-VURMDHGXSA-N 244.265 3.877 30 20 BHED C=CCCC(=O)Nc1cccc(SC)c1C 271728367 YGOPUKVPAORTLD-UHFFFAOYSA-N 235.352 3.622 30 20 BHED C=CCCCCN[C@H](c1cccnc1)C1CCC1 280973242 VQRQUUMQZDNURU-INIZCTEOSA-N 244.382 3.869 30 20 BHED C#C[C@H](N[C@@H](CC)c1ccc(F)cc1)C(C)C 305966486 PGHULCMYXOZJPB-GJZGRUSLSA-N 233.330 3.524 30 20 BHED CCCCCCC(=O)Nc1ccc(C#N)c(F)c1 307932206 AEWUHKMBWOMXPS-UHFFFAOYSA-N 248.301 3.606 30 20 BHED C=CCCCOc1ccc(Cl)c([N+](=O)[O-])c1 309335800 VEPGPKMZEJSNAZ-UHFFFAOYSA-N 241.674 3.593 30 20 BHED CC(C)(C=O)Cc1cccc2ccccc12 317589980 QQKYUTIXJUUNMS-UHFFFAOYSA-N 212.292 3.607 30 20 BHED Cc1ncsc1CSc1cccc(C#N)c1 336446157 YEBUWAPBFMIIMN-UHFFFAOYSA-N 246.360 3.616 30 20 BHED C=CC[C@H](C)Nc1nc(C)nc2scc(C)c12 355381193 XLMYYRIZLOOBCN-VIFPVBQESA-N 247.367 3.685 30 20 BHED C=C(CC)CSc1ncnc2sccc12 358566199 NKIYZNULZIKLBU-UHFFFAOYSA-N 236.365 3.750 30 20 BHED C=CCC[C@H](NCC(C)(F)F)c1ccco1 382285049 JRLRWJXSOXNJDN-JTQLQIEISA-N 229.270 3.532 30 20 BHED C=CCC[C@H](C)N[C@H](CC)CC(F)(F)F 389891132 WAGLOEUUQODUFD-VHSXEESVSA-N 223.282 3.662 30 20 BHED C[C@H]1[C@H](C)CCN1CCC1(C#N)CCCCC1 411329299 KNKVDCLWUJFNNQ-KGLIPLIRSA-N 234.387 3.581 30 20 BHED C=CCCC(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C 416295719 UIZUWPBVNPIDKP-CHWSQXEVSA-N 237.387 3.626 30 20 BHED C=C(C)CN(CC)CC#Cc1ccc(Cl)cc1 426408090 BKHSIKRTJWKODB-UHFFFAOYSA-N 247.769 3.590 30 20 BHED C=C[C@H]1CCCCN1Cc1coc2ccccc12 426578368 HZDIPTVTPPCVNI-AWEZNQCLSA-N 241.334 3.973 30 20 BHED CC(C)(C)[C@H]1CCCC[C@H]1NCC1(CC#N)CC1 430748384 DHGGKFCOFGOYMT-UONOGXRCSA-N 248.414 3.875 30 20 BHED C=CCCCC[C@@H](C)Nc1cccc(CO)c1 449272652 WRZXGUJDXWSDGB-CYBMUJFWSA-N 233.355 3.726 30 20 BHED C=C(C)CCNC(=O)C[C@@H](C)c1ccccc1C 452719999 VGPRDPKZUYYCME-CQSZACIVSA-N 245.366 3.571 30 20 BHED C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[C@H](C)C1 468109535 JMAZCFWDLYZMEZ-KCQAQPDRSA-N 237.387 3.531 30 20 BHED C=CCCCCCN(CC(F)F)C(C)C 488242975 JZDKUIPNOMFJBZ-UHFFFAOYSA-N 219.319 3.708 30 20 BHED C=C[C@H]1CCCCN1Cc1cc2ccccc2o1 489397303 HJDKUPOSIQQYNE-AWEZNQCLSA-N 241.334 3.973 30 20 BHED C=CC1CCN([C@@H](C)CCc2ccccc2)CC1 523609328 IHJSLLXIHSJBBG-HNNXBMFYSA-N 243.394 3.906 30 20 BHED C=CCN(C(=O)[C@@H]1CC[C@@H](C)C1)c1ccccc1 538449525 CUIRBXHFNNJMKR-ZIAGYGMSSA-N 243.350 3.642 30 20 BHED C=CCCc1noc([C@@H]2CCC(C)=C(C)C2)n1 574322147 QKKMISOEMLGRPF-GFCCVEGCSA-N 232.327 3.792 30 20 BHED C=CCCSCCNC/C=C/c1ccccc1 594960473 QYVWQINHEDWYLM-JXMROGBWSA-N 247.407 3.599 30 20 BHED C=CCCN[C@@H](C)Cc1ccccc1SC 658114782 QXXCHRCBRGMVAQ-LBPRGKRZSA-N 235.396 3.505 30 20 BHED C=C(C)CN(C)Cc1ccc(C(C)C)cc1 675591429 DKTDAQIHNPOZCV-UHFFFAOYSA-N 217.356 3.818 30 20 BHED O=C(/C=C\c1ccc(Cl)nc1)c1cccs1 748995183 XJMMBJAZJPNJED-HYXAFXHYSA-N 249.722 3.693 30 20 BHED CCc1ccc(C=NNc2ccc(F)cc2C)o1 750939273 YRUSLOUEOHEBBV-UHFFFAOYSA-N 246.285 3.736 30 20 BHED CC(=NNc1cc(C)ccc1C)c1ccoc1 755888578 XBHKTXYSHOQMDK-UHFFFAOYSA-N 228.295 3.733 30 20 BHED C#CCCN(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 760840338 DSQBNCDLSSIWNO-SJORKVTESA-N 241.378 3.586 30 20 BHED C#C[C@@H](C)NC(=O)[C@H](CCC)CC1CCCCC1 775386098 PCPNCVNELOXFHT-UKRRQHHQSA-N 249.398 3.511 30 20 BHED CC1(C(=O)OCC2(CC#N)CC2)CCCCCC1 781459588 LQHNVYNVPGJQDT-UHFFFAOYSA-N 249.354 3.584 30 20 BHED CC(=NNC1CCCCC1)c1cc(C)oc1C 786041723 BPJOJPNCBKADFH-UHFFFAOYSA-N 234.343 3.543 30 20 BHED C#CCC1(C(=O)N[C@@H](C)[C@H](C)CC)CCCCC1 788436810 OHIUWSWFCQXZEX-KGLIPLIRSA-N 249.398 3.511 30 20 BHED CC[C@H](C)NN=C1CCC(C)(C)C[C@@H]1C 790191023 XPANBENAQHAPBI-QWRGUYRKSA-N 210.365 3.577 30 20 BHED CCCc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1 799721208 WURJDVNBSUJJCA-HIFRSBDPSA-N 228.339 3.743 30 20 BHED Cc1cc(C(=O)/C=C\c2ccc(F)cc2)oc1C 799897967 UMIWYGWQJNOITF-YVMONPNESA-N 244.265 3.932 30 20 BHED C[C@@H](C=NNC1CCCC1)C1CCCCC1 814832502 GPSFHNIQWAYNDF-LBPRGKRZSA-N 222.376 3.721 30 20 BHED C=CC(C)(C)C(=O)OCCC1(C#N)CCCCC1 840579012 CGQINQKDCKZOLP-UHFFFAOYSA-N 249.354 3.606 30 20 BHED C=C1CC(c2noc([C@@H](C)c3ccccc3)n2)C1 896878316 XETACOOEIJBXJD-NSHDSACASA-N 240.306 3.655 30 20 BHED C[C@@H](NCC(C)(C)C#N)c1cccc(C2CC2)c1 903101117 AFMHUNJQEPPRSV-GFCCVEGCSA-N 242.366 3.764 30 20 BHED C=CCN(C(=O)C[C@H](C)c1ccccc1)C(C)C 915147798 KZAKRWZOXAQBHR-AWEZNQCLSA-N 245.366 3.603 30 20 BHED C[C@@H]1[C@@H](/N=C\c2ccccc2O)CCC[C@H]1C 920943156 PRXUNVZSNPXTGN-QDUGVGQWSA-N 231.339 3.636 30 20 BHED C=C[C@@H](CC)CC(=O)NC[C@H](C)c1ccccc1 929367026 JXDNQOIZFURNHS-KBPBESRZSA-N 245.366 3.509 30 20 BHED C=C[C@@H](CC)CC(=O)N1CC[C@@H](C)C2(CCC2)C1 935210482 JHYCCEIULKXUIC-KGLIPLIRSA-N 249.398 3.627 30 20 BHED C[C@@H](C#N)Sc1ccc2c3c(cccc13)CC2 1166714548 USTJQGAFZPBGKB-JTQLQIEISA-N 239.343 3.943 30 20 BHED N#Cc1cnccc1/C=C\c1ccc2c(c1)CCC2 1257398507 CPTACWGVFAMAAV-ALCCZGGFSA-N 246.313 3.612 30 20 BHED C=C(Cl)CNCc1cc2cc(C)c(C)cc2o1 1560348614 HDBUEZRWAJMFKL-UHFFFAOYSA-N 249.741 3.892 30 20 BHED CC[C@@H]1CCCC[C@@H]1CN[C@@H]1CCC[C@H](C#N)C1 1560860535 PGJKMFIULROMGG-ZJIFWQFVSA-N 248.414 3.875 30 20 BHED CC[C@H](Nc1cccc(C#N)n1)C1CCCCC1 80119023 RFLILEZFPLDVSH-AWEZNQCLSA-N 243.354 3.724 30 20 BHED N#Cc1cc(Cl)ccc1N[C@@H]1CC=CCC1 80119865 YMYVYWILUXBMLP-GFCCVEGCSA-N 232.714 3.732 30 20 BHED C=CCCCCCN(C)Cc1ncccc1C 93175502 BRVUTIFVPXSRED-UHFFFAOYSA-N 232.371 3.568 30 20 BHED CCCCCCCCCn1cc(F)ccc1=O 103950745 LAEQJIBKAHGVSI-UHFFFAOYSA-N 239.334 3.738 30 20 BHED CCSCc1ccccc1C(C)(C)C#N 133962138 RWPNPKDLVYYMQX-UHFFFAOYSA-N 219.353 3.741 30 20 BHED C=CC[C@H](C)NCc1c(C)oc2ccccc12 155947740 LPEHNJQYIQWNFA-NSHDSACASA-N 229.323 3.795 30 20 BHED C=CCCCC(=O)N(CC=C)Cc1ccccc1 175497360 XMWHNOXCQXLZID-UHFFFAOYSA-N 243.350 3.558 30 20 BHED CC(C)CC[C@@H]1CCC[C@@H]1NCCCCC#N 178642510 HIBLLOCTAGPJTG-GJZGRUSLSA-N 236.403 3.875 30 20 BHED C=CCC1(C(=O)N2C[C@H](C)CCC[C@@H]2C)CCC1 191907091 WWWUSZVIBSUGIH-KGLIPLIRSA-N 249.398 3.770 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 246100485 MVLSZLMJDSLRKG-VNHYZAJKSA-N 249.398 3.696 30 20 BHED C[C@H]1[C@H](C)CCC[C@H]1Nc1ccc(C#N)cc1 252181957 QEHGJPMOEIHGPA-TYNCELHUSA-N 228.339 3.795 30 20 BHED C=CC[C@@H](C)N[C@H](CC)c1ccc(C#N)cc1 278851970 VQFIWNKNAGEZNC-IUODEOHRSA-N 228.339 3.564 30 20 BHED C=CC[C@H](CC)N[C@@H]1CC[C@H](C)[C@@H](C)C1 309142823 HQBKHEXXVQTLQV-XDQVBPFNSA-N 209.377 3.755 30 20 BHED C=C(C)CCNC(C)(C)c1ccc(F)cc1 309542766 GSUVYQBXUUDALX-UHFFFAOYSA-N 221.319 3.617 30 20 BHED CCCCCC[C@H](C)N[C@@H]1CC[C@H](C#N)C1 310012437 JCOTUCOIJZZIRU-MELADBBJSA-N 222.376 3.627 30 20 BHED CC[C@H](C)[C@H](C)Nc1cccc(CC#N)c1 313479295 NGMBRWAPVXOOBO-RYUDHWBXSA-N 216.328 3.599 30 20 BHED CSCCCSCc1ccccc1C#N 320637939 URZITQPBZJGCKH-UHFFFAOYSA-N 237.393 3.545 30 20 BHED C=CCCS[C@@H](C)c1cccc(C#N)c1 339090564 GQNZPQIMPFZMDZ-NSHDSACASA-N 217.337 3.929 30 20 BHED C[C@H](NCCCC#N)c1cc2cccc(F)c2o1 355727475 CADFAJCCEZMKBB-JTQLQIEISA-N 246.285 3.526 30 20 BHED C=CC[C@H](C)N[C@@H](CC)c1ccc(F)cc1F 358048736 QBXWUDRRGOZYIY-HZMBPMFUSA-N 239.309 3.970 30 20 BHED C=CC(C)(C)CNCc1cccc2cccnc12 384913980 COGTWMYEIQKIOA-UHFFFAOYSA-N 240.350 3.537 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)Cc1ccccc1OC 393766539 CHDCDLSLNIBNDG-DZGCQCFKSA-N 247.382 3.571 30 20 BHED CCCCCCC[C@H](C)NC[C@@]1(C)CCOC1 397349011 GBTSWHHNKBHYHN-LSDHHAIUSA-N 241.419 3.752 30 20 BHED C=CC[C@@H](CC)NC(=O)CCCC(C)(C)C 410129772 GOKHASPGPFPCBZ-GFCCVEGCSA-N 225.376 3.674 30 20 BHED N#CC1(CNC2CCC3(CCCC3)CC2)CCC1 418140631 JUTXGQZDWQRZGS-UHFFFAOYSA-N 246.398 3.773 30 20 BHED CC(C)N(CCCC#N)[C@H](C)c1ccsc1 421008423 MGAYNXDEYLHAHI-GFCCVEGCSA-N 236.384 3.823 30 20 BHED C=CCCCC[C@H](C)NCc1cncc(C)c1 449213510 WNMJMQJUANTUAF-AWEZNQCLSA-N 232.371 3.615 30 20 BHED C=CCC[C@@H](C)NC[C@H]1CSc2ccccc21 449362756 KQUVAHMPVGPEJZ-OLZOCXBDSA-N 247.407 3.820 30 20 BHED C=CCC1(C(=O)N2CCC(CC)CC2)CCCC1 449791491 RLMPJXFYKOOJDO-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CC(C)(C)c1nc(-c2ccc(C)cc2F)no1 453145286 LNFXPLNJTVPLRY-UHFFFAOYSA-N 246.285 3.648 30 20 BHED CC/C=C\CN[C@@H](CC)c1ccc(C#N)cc1 453329158 UORQRGFQYMMVEE-YVACAVLKSA-N 228.339 3.565 30 20 BHED C=CCC[C@H](C)Nc1ccc2c(C)nn(C)c2c1 462863491 ZYRSWBGJAYMBJA-NSHDSACASA-N 243.354 3.648 30 20 BHED C=CCC(C)(C)CNC(=O)[C@H]1CCC(C)(C)C1 490040608 QIHVRGCCUXCWCQ-LBPRGKRZSA-N 237.387 3.531 30 20 BHED C=CCCCCCN(C)c1cc(C(C)C)ncn1 523535901 RGNRCGLUWZGAIB-UHFFFAOYSA-N 247.386 3.783 30 20 BHED C=CCCN(Cc1ccccc1)[C@H](C)CC 525328823 NWOWHWYKUUXUET-CQSZACIVSA-N 217.356 3.863 30 20 BHED C=CCOc1ccc(CNC2CC(CC)C2)cc1 560573891 MLOUADSTAVOJDR-UHFFFAOYSA-N 245.366 3.530 30 20 BHED C=CCN(C(=O)[C@H](C)C1CCCC1)C(C)(C)C 622944006 AJEKDKZTYOATRX-GFCCVEGCSA-N 237.387 3.626 30 20 BHED C=CCC[C@@H](NCc1ccc(C)o1)c1ccco1 631730592 YPHZATXDZZGVSE-CQSZACIVSA-N 245.322 3.978 30 20 BHED Cc1cccc(N[C@@H](C)CC(C)(C)C#N)c1F 695810217 LVZCFLPOYRWXQO-NSHDSACASA-N 234.318 3.874 30 20 BHED CC(=NNc1ccccn1)[C@H](C)c1ccccc1 746370054 DRMPTWZNLRZZHQ-LBPRGKRZSA-N 239.322 3.673 30 20 BHED COc1cccc(NN=CCC(C)(C)C)c1 755607844 AHDSTFQKFSWFPQ-UHFFFAOYSA-N 220.316 3.529 30 20 BHED CC(=NNc1ccc(Cl)cc1)c1ccoc1 755873226 HJVBYGLVGIOHJP-UHFFFAOYSA-N 234.686 3.769 30 20 BHED COCC[C@H](C)ON=Cc1ccc(C(C)C)cc1 755939564 IFPFVUAQECIDBT-ZDUSSCGKSA-N 249.354 3.586 30 20 BHED CC[C@@H]1CCCC1=NNc1ccccc1 758354587 KBAUYUNXXLXUIL-LLVKDONJSA-N 202.301 3.665 30 20 BHED CCC(CC)CNN=C(C)CC1CCC1 774474169 WXPILYCSUADNCT-UHFFFAOYSA-N 210.365 3.578 30 20 BHED C=CCN(C)C(=O)[C@H](CC)CCCCCC 777842927 KUGRODVDERCXDG-CYBMUJFWSA-N 225.376 3.627 30 20 BHED C=CCCCCCOC(=O)[C@@H](C)c1ccco1 783839955 YBJUGWYETLQCDM-LBPRGKRZSA-N 236.311 3.673 30 20 BHED CC(=NOCC(C)C)C1CCC(F)(F)CC1 788721395 FMCZOXFVXSVVTG-UHFFFAOYSA-N 233.302 3.860 30 20 BHED C[C@H]1Cc2cc(-c3ccccc3C#N)ccc2O1 793368634 QJUQRDFIYWCVJC-NSHDSACASA-N 235.286 3.549 30 20 BHED CCc1cccc(C)c1NN=C[C@@H]1C[C@H]1C 799493749 NOURIJXDKMULDK-YPMHNXCESA-N 216.328 3.611 30 20 BHED C=CCCN(C)CCc1ccc(F)cc1Cl 811494775 VFKJXEJQGIWOFX-UHFFFAOYSA-N 241.737 3.530 30 20 BHED Cc1cccc(CC(=NOCC2CC2)C2CC2)c1 814243386 SXBIVFXHXZHPGZ-UHFFFAOYSA-N 243.350 3.730 30 20 BHED CC(C)CC(=NOCCC1CC1)c1ccccn1 814246845 FSMPHKAGMLIWBO-UHFFFAOYSA-N 246.354 3.649 30 20 BHED CC(C)(C)[C@H]1CC(=NOC2CCCC2)CS1 814895023 SMMWFAUNPGYOMK-GFCCVEGCSA-N 241.400 3.853 30 20 BHED CCCON=C1CCC(=C2CCC2)CC1 853369280 VWQUBNLKEACNTA-UHFFFAOYSA-N 207.317 3.824 30 20 BHED Cc1ccc([C@@H](C)C=NOC2CCC2)cc1 863114197 DBIDWXGVADPWNY-LBPRGKRZSA-N 217.312 3.653 30 20 BHED C=C(C)CNc1cnn([C@H](C)CC)c1C1CC1 902190619 NUZDMVIMKNXIPQ-LLVKDONJSA-N 233.359 3.720 30 20 BHED C=CCC1(c2nc(C(C)(C)C)no2)CCCC1 904352160 KQGPDLWFNAXBJI-UHFFFAOYSA-N 234.343 3.755 30 20 BHED Oc1ccc2ccccc2c1/C=N\C1CCCC1 920942471 DYSJNIMYLUKBGR-BOPFTXTBSA-N 239.318 3.907 30 20 BHED CC(C)C[C@H](C)CN1CCc2c(C#N)cccc21 1171345392 YXWWVZSFEDLKQL-ZDUSSCGKSA-N 242.366 3.603 30 20 BHED CC[C@H]1CCC[C@H](CNCC(C)(C)CC#N)C1 1560500246 HQUOAEGENNHDJL-KBPBESRZSA-N 236.403 3.732 30 20 BHED Cc1cc(C)c(C#N)c(N[C@@H]2CCC[C@H](C)C2)n1 25571581 SYSRCJRCQHZFOU-GXFFZTMASA-N 243.354 3.561 30 20 BHED C=C(Cl)CN[C@@H](C)c1cc(C)sc1C 49507125 BDUNMCKLIQVQJS-VIFPVBQESA-N 229.776 3.768 30 20 BHED Cc1ccc([C@H](C)/N=C\c2ccccc2O)cc1 103611382 ZERIHNHHVCFEOB-MFVBVHDHSA-N 239.318 3.881 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cc(F)ccc1F 116907718 TXTVMQYYOHSWAB-NXEZZACHSA-N 225.282 3.580 30 20 BHED C=CCCSC1=Nc2ccccc2C1 172545759 WCQPFUFKYPDCOB-UHFFFAOYSA-N 203.310 3.582 30 20 BHED C=C(C)CN(C)C(=O)C[C@@H](CC)c1ccccc1 180435345 OYCFUUFEMKRCLC-CQSZACIVSA-N 245.366 3.605 30 20 BHED Cc1cc(F)cc(N[C@H]2CCC[C@@H](C#N)C2)c1 185737416 XLFUHHXGJLIUEJ-YPMHNXCESA-N 232.302 3.628 30 20 BHED C#CCCCCN[C@@H](C)c1ccc2c(c1)CCC2 222286925 VELFSDIZWCHPPP-AWEZNQCLSA-N 241.378 3.629 30 20 BHED COCCCCS[C@H](C)c1ccc(C#N)cc1 284988127 GCUIFGXJNOVVLK-GFCCVEGCSA-N 249.379 3.779 30 20 BHED N#Cc1ccccc1OCCC1CCCC1 303389051 MNNAICRDELKDQR-UHFFFAOYSA-N 215.296 3.517 30 20 BHED CC(C)=CCOc1cc(Cl)cc(C#N)c1 308845288 PBRUZFIOXSLXLJ-UHFFFAOYSA-N 221.687 3.557 30 20 BHED Cc1ccccc1Sc1ccc(C#N)c(C)n1 310157336 HLUPDIJODKMXCJ-UHFFFAOYSA-N 240.331 3.721 30 20 BHED CCCC[C@H](C)N(C)Cc1ccccc1C#N 310425069 RJKSDHDGIWWFOR-ZDUSSCGKSA-N 230.355 3.569 30 20 BHED C=C[C@H]1CCCCN1C(=O)c1occc1C(C)C 341669788 UGCSNXVYBUIVGM-LBPRGKRZSA-N 247.338 3.584 30 20 BHED C=CCS[C@@H]1CCc2ccc(F)cc21 349090045 VBEXWQOLVWTFCS-GFCCVEGCSA-N 208.301 3.732 30 20 BHED C=C(C)CN[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C 381464361 KSNOYNBLOAXSBT-FZMZJTMJSA-N 235.758 3.741 30 20 BHED N#Cc1ccc(NC2CCC(F)(F)CC2)cc1 390071894 UZUYJZFCISMQOJ-UHFFFAOYSA-N 236.265 3.548 30 20 BHED C=CC(C)(C)C(=O)N[C@@H](C)CCC(C)(C)C 449894644 BNXSNOMKXOIUBB-NSHDSACASA-N 225.376 3.530 30 20 BHED N#Cc1ccc(N[C@H]2C[C@H]2Cc2ccccc2)cc1 462874541 MXQQAIVERZKXRL-WBVHZDCISA-N 248.329 3.601 30 20 BHED C=C(C)C[C@H](C)C(=O)N[C@@H](CC)C(C)(C)C 466416289 KMEXNRDNOAKMDZ-RYUDHWBXSA-N 225.376 3.530 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc(F)c(C)c1 468031143 UHBZHDUAIQCYBT-CQSZACIVSA-N 235.302 3.675 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C[C@@H]1CCC[C@@H](C)C1 488878898 QTZDCJHSBRKSJT-RBSFLKMASA-N 249.398 3.770 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 499498075 LPTQIIXBVAMLPS-YNEHKIRRSA-N 237.387 3.530 30 20 BHED CC(C)[C@H](C)N(Cc1cccc(C#N)c1)C1CC1 505255029 QPLKUVVXOLLXRF-ZDUSSCGKSA-N 242.366 3.567 30 20 BHED C=C(C)CN(CC(C)C)c1cccc(OC)c1 506612961 POBZMSSNWUHZSV-UHFFFAOYSA-N 233.355 3.734 30 20 BHED C=CC[C@H](C)[C@H](C)NC1(c2ccccc2)CC1 537421938 DKNQDBXCXGMHQE-KBPBESRZSA-N 229.367 3.866 30 20 BHED Cc1cccnc1S[C@@H](C#N)C1CCCCC1 553836710 NECMQJLXDZGYFS-ZDUSSCGKSA-N 246.379 3.955 30 20 BHED CCC[C@@H]1CCCC[C@H]1Nc1cc(C#N)ccn1 557561305 VQUYQNBFURETBB-ZIAGYGMSSA-N 243.354 3.724 30 20 BHED C=CCC(C)(C)c1noc(C(F)(F)CC=C)n1 568421032 RPRHGGNBFSXFLX-UHFFFAOYSA-N 242.269 3.591 30 20 BHED CC(C)CCC1CCN([C@H]2CC[C@H](C#N)C2)CC1 576601846 QFGQWIHHRHZCEX-HOTGVXAUSA-N 248.414 3.827 30 20 BHED CC[C@H](N[C@H](C)c1cccc(C#N)c1)[C@@H]1C[C@@H]1C 591239789 WGXJKNKPWAFBQC-OJDYBEQGSA-N 242.366 3.643 30 20 BHED C[C@H]1C[C@H](C)CC[C@@H]1N[C@@H](C#N)c1ccccc1 595439993 LKRUHAOXLDLXJS-VRKREXBASA-N 242.366 3.666 30 20 BHED C=CCCNc1cc(C#N)ccc1C(F)(F)F 596412078 HRSWSDOGZNRZHH-UHFFFAOYSA-N 240.228 3.565 30 20 BHED C=C[C@@H](C)N[C@H](CC)CCc1ccccc1 623904469 BYZQBCULWHUJMA-UKRRQHHQSA-N 217.356 3.562 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C 648380960 KZQQCKNSLYYAPL-YNEHKIRRSA-N 237.387 3.530 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C 650390135 NSJKOJBVBPQSAB-ZOWXZIJZSA-N 237.387 3.530 30 20 BHED C=CCC1(NCc2ccccc2OC)CCCC1 657701835 CCXIMFBXRDAEGM-UHFFFAOYSA-N 245.366 3.674 30 20 BHED C=CC[C@@H]1CCCN(c2ccncc2Cl)C1 664256847 SBEQVONNSQPINN-LLVKDONJSA-N 236.746 3.528 30 20 BHED CCCCCCCCC/C=C/C(=O)NC1CC1 726884164 YHFRZMJIRJLAGT-ZHACJKMWSA-N 237.387 3.962 30 20 BHED CCC(=NO[C@@H]1CCCCO1)C1CCCCC1 755824847 TVTJVKMSOQWTHX-CQSZACIVSA-N 239.359 3.876 30 20 BHED N#C[C@@H]1CC[C@H](NCC2CCCCCCC2)C1 769942019 GQVLDOANWRJKNG-CABCVRRESA-N 234.387 3.629 30 20 BHED CC1(C)CCC(=NOCc2ccccc2)C1 783822601 VZFYXHDGEVXDQY-UHFFFAOYSA-N 217.312 3.769 30 20 BHED C#CCSc1nc2cc(Cl)cc(C)c2o1 789921092 RWKNELOACPDCAD-UHFFFAOYSA-N 237.711 3.515 30 20 BHED C#C[C@@H](NC(=O)CCCC1CCCC1)C(C)(C)C 807880116 RGEFZPNQQSPZQL-CQSZACIVSA-N 249.398 3.511 30 20 BHED CC(=NNc1cccc(C)c1)c1ccccc1C#N 814687773 TZEXSMXVRDIDCT-UHFFFAOYSA-N 249.317 3.703 30 20 BHED CON=C(Cc1ccccc1Cl)c1ccoc1 814795709 JDBDJWXBYXDISC-UHFFFAOYSA-N 249.697 3.526 30 20 BHED CC[C@@H](C=NNC1CCCC1)c1ccccc1 814832991 TVBYEXUJEMSYTO-ZDUSSCGKSA-N 230.355 3.698 30 20 BHED C=CCC1(N[C@H](C)CCCCC)CCOCC1 827147056 LYTHDIPLQRGXLD-CQSZACIVSA-N 239.403 3.670 30 20 BHED CCCCCCCC(=O)N[C@H](CC)C(F)F 833204997 ZDOAACBONRXHEI-SNVBAGLBSA-N 235.318 3.507 30 20 BHED C(=NOCc1ccc2ccccc2c1)C1CC1 853734874 JUVXWDHTPRYVDI-UHFFFAOYSA-N 225.291 3.752 30 20 BHED C=CCC1(NCc2cnc(F)c(C)c2)CCCC1 895402244 BPKOVQFNWHDVFS-UHFFFAOYSA-N 248.345 3.508 30 20 BHED Cc1ccc(C/N=C\c2ccccc2O)c(C)c1 915980773 COIUDBCZQQWOBS-BOPFTXTBSA-N 239.318 3.628 30 20 BHED CC(C)C(N[C@@H](C)CC(C)(C)C#N)C(C)C 925566476 IEUVKCZKWINAIQ-LBPRGKRZSA-N 224.392 3.585 30 20 BHED CC(C)[C@H]1CCC[C@H]1Nc1cc(F)cc(C#N)c1 1462503697 MFESPKGXWRHROJ-HUUCEWRRSA-N 246.329 3.934 30 20 BHED CCC[C@H](Nc1cc(C)c(C#N)cn1)C(C)(C)C 1651075287 PTBOUYBZTPWJCZ-ZDUSSCGKSA-N 245.370 3.888 30 20 BHED CC(C)CC1(C)CCN(CC2(CC#N)CC2)CC1 1653787864 OUUHLFWAJPHCFL-UHFFFAOYSA-N 248.414 3.828 30 20 BHED C=CCSCC(=O)Nc1cccc(C(C)C)c1 44315184 OQMROHKISDGVQG-UHFFFAOYSA-N 249.379 3.668 30 20 BHED CCCC1CCC(N[C@@H](CC)CC#N)CC1 49545272 NNTNWGSOHRMNEF-MOKVOYLWSA-N 222.376 3.627 30 20 BHED C[C@H](c1ccc2ccccc2c1)N(C)CCC#N 53643183 XXPZKIBBKPWQBO-CYBMUJFWSA-N 238.334 3.746 30 20 BHED N#Cc1cccnc1Sc1cccc(Cl)c1 54185495 WNKLKCHAUBNBCQ-UHFFFAOYSA-N 246.722 3.758 30 20 BHED CCCCCCN(CCC#N)Cc1ccco1 78665818 RJYQCVCLBPNMCD-UHFFFAOYSA-N 234.343 3.576 30 20 BHED C#Cc1c2ccccc2cc2ccccc12 95908457 WSZBYXQREMPYLP-UHFFFAOYSA-N 202.256 3.974 30 20 BHED CCCCCCCn1ccc2ccccc2c1=O 103947185 SPAIPQQQEZKJTM-UHFFFAOYSA-N 243.350 3.972 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc(OC)c(Cl)c1 119327550 BEEAGIVCFZHYSC-NXEZZACHSA-N 239.746 3.574 30 20 BHED CC(C)(CCC#N)CNCCC1CCCCC1 135140179 BCTRVGVVIHSMND-UHFFFAOYSA-N 236.403 3.876 30 20 BHED CC[C@@H]1CCCN1Cc1ccc(C#N)cc1Cl 162872433 BIXQALVKCVOOMQ-CYBMUJFWSA-N 248.757 3.586 30 20 BHED C=CCN(C(=O)c1ccsc1)c1ccccc1 248034940 YWQIFRZFHHNAEL-UHFFFAOYSA-N 243.331 3.581 30 20 BHED C=CC[C@H](C)N[C@H](CC)c1ccsc1 294427527 PBPARRZLDCJIII-CMPLNLGQSA-N 209.358 3.753 30 20 BHED C=CCCN[C@H](C)c1cc(C)c(F)c(C)c1 309376666 CTWBJWTXKAYNQX-GFCCVEGCSA-N 221.319 3.669 30 20 BHED CCCCCCCN[C@H](CC)[C@@H]1CCCO1 310022050 NVOATQZQKDTUEC-KGLIPLIRSA-N 227.392 3.504 30 20 BHED C=CCC(C)(C)CN[C@@H]1CCCC[C@@H]1C 310169901 PEVDEPXDNCZOJE-QWHCGFSZSA-N 209.377 3.757 30 20 BHED C[C@H](S[C@H]1CCCOC1)c1ccc(C#N)cc1 334188182 GCRQZXFVCOTPCF-FZMZJTMJSA-N 247.363 3.531 30 20 BHED CCN(CC1(C#N)CC1)[C@H](C)c1ccc(F)cc1 343138242 BPFMAFFSCRVSMM-GFCCVEGCSA-N 246.329 3.512 30 20 BHED Cc1ccc2c(c1)CN(CC(C)(C)CCC#N)C2 361112867 JWXPTKGHCORMCO-UHFFFAOYSA-N 242.366 3.641 30 20 BHED C=CCc1ccccc1OCCC(C)(C)C#N 410301102 QYOCAYRLAMWNHN-UHFFFAOYSA-N 229.323 3.734 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H](CC)C1CCCC1 425607891 OCIPMRJNBUGWTN-CYBMUJFWSA-N 237.387 3.674 30 20 BHED C=CCC1(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)CCCC1 451401544 STVYSZSVRGVFHL-ZIAGYGMSSA-N 249.398 3.770 30 20 BHED C=C(CC)CNC(=O)c1ccc(C(C)C)cc1 453028154 WWOYJVFKBSICAA-UHFFFAOYSA-N 231.339 3.506 30 20 BHED C=CC(C)(C)c1nc(-c2ccc(F)cc2C)no1 453109029 BBZDMIXPBTVAJL-UHFFFAOYSA-N 246.285 3.648 30 20 BHED CC#CCCN(CC)[C@H](CC)c1ccccc1 462311572 BWTIUNSNFYCTIZ-MRXNPFEDSA-N 229.367 3.873 30 20 BHED C=CC[C@@H](CC)NC(=O)C1(C)CCCCCC1 466541620 NTCZCBITBNLDQB-CYBMUJFWSA-N 237.387 3.818 30 20 BHED CC[C@@]1(C)CCN([C@@H](C)c2ccc(C#N)cc2)C1 468138304 MHZJAXJMRPTYLV-BBRMVZONSA-N 242.366 3.741 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H]1CCc2c(O)cccc21 482553337 GDTUUWRRARXCQI-HUBLWGQQSA-N 245.366 3.570 30 20 BHED CCOc1ccc(C#N)cc1N[C@H]1CC[C@@H](C)C1 500994801 HUWQJZRNSDFMGA-YPMHNXCESA-N 244.338 3.557 30 20 BHED C=C(C)CN1C[C@@H](C)C[C@H]1c1ccccc1 513228381 JWFIFNJCKSRURN-ZFWWWQNUSA-N 215.340 3.646 30 20 BHED N#Cc1cccc(NC[C@H]2C[C@H]2c2ccccc2)c1 536147844 JJLQDPPIVHIBGG-WBVHZDCISA-N 248.329 3.774 30 20 BHED C=CCCCSCc1cc(OC)cc(C)n1 539624896 CVWIZCIXMFXVBJ-UHFFFAOYSA-N 237.368 3.598 30 20 BHED CCc1ccc(/C=C/c2ccncc2C#N)s1 552001309 VRQNSYDQBUKMIG-ONEGZZNKSA-N 240.331 3.748 30 20 BHED Cc1cc(SCCOC2CCC2)ccc1C#N 592355558 VUNIBWOTVGSMSI-UHFFFAOYSA-N 247.363 3.528 30 20 BHED CC(C)(C)N(Cc1ccsc1)CC1(C#N)CC1 595603059 XEWVTGKNHVWTSC-UHFFFAOYSA-N 248.395 3.652 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 610829798 LZVFTDHZRGJQDB-IHRRRGAJSA-N 242.366 3.810 30 20 BHED CC(C)CCCN[C@H]1CCc2cc(C#N)ccc21 618831292 HAPMIFUEWVXTLO-INIZCTEOSA-N 242.366 3.571 30 20 BHED C=CCC(C)(C)CNCc1cc2cnccc2o1 651816965 RKGMJBITKUPMNW-UHFFFAOYSA-N 244.338 3.520 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCC(=C)c1ccccc1 675783391 HENMWPPEZNXODF-UKRRQHHQSA-N 229.367 3.890 30 20 BHED C=CCCCOC(=O)C[C@@H]1CCCC[C@@H]1C 735533807 ZFXHOECTSIGYGP-STQMWFEESA-N 224.344 3.712 30 20 BHED CC#CCOC(=O)C[C@@H](C)CCCCCC 744943920 KRYVYBUDXGUGOW-ZDUSSCGKSA-N 224.344 3.550 30 20 BHED Cc1cccc(NN=C(C(C)C)C2CC2)c1 750911352 BOFJJIHCOCOOMN-UHFFFAOYSA-N 216.328 3.829 30 20 BHED CC[C@H](C)C(C)=NNc1ccc(OC)cc1 750921931 LYUUKMAAWRRZDO-JTQLQIEISA-N 220.316 3.529 30 20 BHED C#CCCCCN[C@H]1CCC[C@@H]1c1ccccc1 773042526 WDCFYEQRVLLMFJ-SJORKVTESA-N 241.378 3.716 30 20 BHED C(=NOC1CCCC1)c1ccc2ccccc2n1 774608484 OGBDWNZBVFZNIP-UHFFFAOYSA-N 240.306 3.528 30 20 BHED Cc1ccsc1C=NOC1CCCCC1 777456486 BSIUYDNNBKOUJO-UHFFFAOYSA-N 223.341 3.740 30 20 BHED Cc1ccc(F)cc1C=NOCc1ccccc1 777882370 RTDGUOQXRXTEAH-UHFFFAOYSA-N 243.281 3.685 30 20 BHED CC[C@H](C)CON=Cc1ccc2[nH]ccc2c1 793157736 CLFCPTJCGJNURS-NSHDSACASA-N 230.311 3.565 30 20 BHED C=CCNN=C1C[C@@H](C)C[C@@H](c2ccccc2)C1 794999621 NVFUKLAXVBMJLA-DZGCQCFKSA-N 242.366 3.722 30 20 BHED CC[C@@H]1CCCC(=NNc2cccc(F)n2)C1 795007732 NLEKEZDWYORKNV-SNVBAGLBSA-N 235.306 3.589 30 20 BHED C=CCCCCCCNC(=O)C(C)(C)C(C)C 805219975 CGAZTXFUBPBEKC-UHFFFAOYSA-N 239.403 3.921 30 20 BHED C=CCCCCOC(=O)[C@@H]1CCCC(F)(F)C1 811009377 VTEZMRZRQYWQPN-LLVKDONJSA-N 246.297 3.711 30 20 BHED FC(F)C1CCC(=NOC/C=C\Cl)CC1 811668035 JXGCDJGDFKYOHY-RUTKASESSA-N 237.677 3.567 30 20 BHED CC(=NOC/C=C\Cl)c1cc(C)ccc1C 811668953 LHGFETUFWMHZSX-OIUWJUBLSA-N 237.730 3.797 30 20 BHED CC1(C)CCC(C=NOC/C=C/Cl)CC1 811669899 WEYWABKVQAMBFK-MIWAIYDISA-N 229.751 3.958 30 20 BHED C[C@H](NN=C1CC[C@@H](C)C[C@H]1C)c1ccncc1 819816627 MFBHYGUTZUJWJB-UPJWGTAASA-N 245.370 3.544 30 20 BHED C=CC[C@H](N[C@H](CC)[C@H]1C[C@@H]1C)c1ccncc1 840723188 OBLFORBVVHARBW-HNKHHVNMSA-N 244.382 3.723 30 20 BHED Clc1ccc(/C=C\CON=CC2CC2)cc1 853734613 GSECXSGVPMECDR-MCLUUKOMSA-N 235.714 3.766 30 20 BHED CC(=NNc1nc2ccccc2s1)C(C)C 916248668 LRMXHFBXNNIIBU-UHFFFAOYSA-N 233.340 3.740 30 20 BHED Cc1ccc(C=NNc2ccc(C)c(Cl)c2)o1 1084334497 OULRVGAJRSKWHJ-UHFFFAOYSA-N 248.713 3.996 30 20 BHED C=C[C@@H](CC)CC(=O)N[C@H](C)c1ccc(F)cc1 1120790174 WFCIIPUSKPNAOU-NEPJUHHUSA-N 249.329 3.605 30 20 BHED Cc1ccnc(CSCCC(C)(C)C#N)c1 1255682136 PFDWHZZAWZYDFK-UHFFFAOYSA-N 234.368 3.563 30 20 BHED CC[C@@H](NC/C=C/C1CC1)c1ccc(C#N)cc1 1324239922 MRMPUWZMMZRIKY-QDLOVBKTSA-N 240.350 3.565 30 20 BHED C=C(C)CCNc1nc2cccc(C)c2o1 1324427944 CXOYCGDRQMVQQQ-UHFFFAOYSA-N 216.284 3.514 30 20 BHED C#CCCCCCC(=O)NC[C@@H]1CCC[C@H]1CC 1344379375 TWFOFQIJGCICJU-CABCVRRESA-N 249.398 3.513 30 20 BHED CCCCCCNc1cccc(C#N)c1 20359854 CJYFSGZEABRQMT-UHFFFAOYSA-N 202.301 3.550 30 20 BHED C=CCOc1ccc(Cl)c(Cl)c1 32296760 VRRJGZVUIAUUOE-UHFFFAOYSA-N 203.068 3.558 30 20 BHED C[C@@H](Nc1ccc(C#N)cc1)c1cccc(C#N)c1 37212189 RPSLEZSKZGDIME-GFCCVEGCSA-N 247.301 3.603 30 20 BHED Cc1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)o1 48391498 HNNURAWAQSCYIW-GQCTYLIASA-N 248.228 3.762 30 20 BHED CC1(C)C(Nc2cccc(F)c2C#N)C1(C)C 93406697 OLDTWUWHIRUYPY-UHFFFAOYSA-N 232.302 3.544 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1ccc(C)o1 133105344 IFYYQYIAWGVRGL-AAEUAGOBSA-N 221.344 3.983 30 20 BHED C[C@@H](NCCC(C)(C)C#N)C1CCCCCC1 150283067 BACIQZDAZSFUAB-CYBMUJFWSA-N 236.403 3.875 30 20 BHED C=C(C)CCOc1cc(Cl)cc(C#N)c1 309065076 YSFFRAVVDSYBSQ-UHFFFAOYSA-N 221.687 3.557 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc(F)c(C)c1 309561835 LGVFDQLNPBBAAZ-VXGBXAGGSA-N 221.319 3.749 30 20 BHED Cc1cccc(CNC2CCC(C)(C#N)CC2)c1 336205424 YJHWDDIFDVGWQA-UHFFFAOYSA-N 242.366 3.557 30 20 BHED C=CCC1(C(=O)N2CCC3(CCC3)CC2)CCC1 376463195 RTZCAEQKICFHQM-UHFFFAOYSA-N 247.382 3.526 30 20 BHED C#CCCCCN[C@H](CC)c1cccc(C)c1 384150309 PTHWQZASKVYTEH-MRXNPFEDSA-N 229.367 3.839 30 20 BHED C=C(C)CCNCc1ccc(F)cc1Cl 387504644 YAFZHTKOHYSNPJ-UHFFFAOYSA-N 227.710 3.535 30 20 BHED C=CCC[C@@H](CC)N[C@H](C)CC(F)(F)F 389949656 RTHORWFUSLBOQB-NXEZZACHSA-N 223.282 3.662 30 20 BHED N#CC1(CN[C@H]2CCCC23CCCCC3)CCC1 418141825 MBBRBQFICCZEGT-AWEZNQCLSA-N 246.398 3.773 30 20 BHED CC(C)(C)C[C@H]1CCCN1CC1(C#N)CCC1 450320448 VTJACWADGDNKTK-CYBMUJFWSA-N 234.387 3.581 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@@]1(C)CC=CCC1 450652625 UVOYBUFJDMDZRH-HIFRSBDPSA-N 235.371 3.594 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C[C@H](CC)C(C)C 488871027 PAACSVLTAFFMJR-UONOGXRCSA-N 237.387 3.626 30 20 BHED C=CCN(Cc1ccc(Cl)s1)CC1CC1 506101662 SKFXEMBWHIRZLS-UHFFFAOYSA-N 241.787 3.800 30 20 BHED C=C(C)CSC[C@@H](OC)c1ccccc1 519587766 GTBLBIYBTUFFKO-CYBMUJFWSA-N 222.353 3.683 30 20 BHED C=C(CC)CSCc1cn2cccc(C)c2n1 537993057 HEHUQNZVFPVDLW-UHFFFAOYSA-N 246.379 3.842 30 20 BHED C=CCCCCN1CCC[C@]2(CCSC2)C1 562548732 AYDCZLFHYUGDOX-AWEZNQCLSA-N 239.428 3.562 30 20 BHED CC1(C#N)CCN(CCCC2CCCCC2)CC1 568445368 SGSOAEWRJBXUTG-UHFFFAOYSA-N 248.414 3.973 30 20 BHED CCc1cccc(Oc2snc(C)c2C#N)c1 571357099 FJOISHUVGWYIPE-UHFFFAOYSA-N 244.319 3.678 30 20 BHED C=C1CCN(C(=O)C[C@H](C)CC(C)(C)C)CC1 594846404 RNJAIOYKYXKWIF-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C=CCC1(NCC2(CC#N)CC2)CCCCC1 602915293 MNVZYICPNSIXLO-UHFFFAOYSA-N 232.371 3.549 30 20 BHED N#CCN[C@@H](c1ccc(F)cc1)C1CCCCC1 602966752 QGJHENGELKVNQI-OAHLLOKOSA-N 246.329 3.560 30 20 BHED C=CCCCCCN1CCC(F)(F)C[C@@H]1C 625980790 QSQBFTRKAULJDQ-LBPRGKRZSA-N 231.330 3.852 30 20 BHED C=CCCCCN[C@](C)(CC)C(F)(F)F 649384511 XQUHOEJMSMREDE-SNVBAGLBSA-N 223.282 3.663 30 20 BHED C=CCCC(=O)O[C@H](CCC)CCCC 730302743 GOMHZUCHECZRDV-GFCCVEGCSA-N 212.333 3.855 30 20 BHED CC(=NN[C@H](C)c1ccccc1)C1CCCC1 733076561 TWLXRSVBAWOUQE-GFCCVEGCSA-N 230.355 3.903 30 20 BHED Oc1ccc(Cl)cc1/C=N/[C@@H]1CC=CCC1 735978508 GSCNQMPKSDTBTD-KMHUVPDISA-N 235.714 3.573 30 20 BHED CC1=CC(=NO[C@H]2CCCCO2)CC(C)(C)C1 755813786 ITBCBMQRCFPLID-ZDUSSCGKSA-N 237.343 3.652 30 20 BHED CC#CCCOC(=O)C[C@@H](CC)c1ccccc1 760287568 LSJYLUACYPBURB-CQSZACIVSA-N 244.334 3.527 30 20 BHED CCC(CC)NN=C[C@@H]1CCC[C@H](C)C1 768361736 IDJACELIVMKXEG-NWDGAFQWSA-N 210.365 3.577 30 20 BHED O=C(/C=C/c1ccsc1Cl)c1cccnc1 790210443 DTLSAOAXFXDYIZ-ONEGZZNKSA-N 249.722 3.693 30 20 BHED CC(C)C[C@H](C)C=NNc1cccc([N+](=O)[O-])c1 799103993 JHDBTKVRSASJIG-NSHDSACASA-N 249.314 3.675 30 20 BHED C1CCC(ON=C2C[C@H]3CC[C@H]2C3)CC1 814910558 WUPCVROQXFTMAI-QWRGUYRKSA-N 207.317 3.512 30 20 BHED CC[C@](C)(C=NNc1ccc(Cl)cc1)OC 834914177 MHLZESTVBYKPPD-GFCCVEGCSA-N 240.734 3.553 30 20 BHED C[C@@H]1CC=C(C(=O)OCC(C)(C)CCC#N)CC1 835387600 WUAAJROBKCWYDJ-GFCCVEGCSA-N 249.354 3.606 30 20 BHED Cc1c(Cl)cccc1NC(=O)C#CC(C)(C)C 837307192 GSGBZQFEVJDLQB-UHFFFAOYSA-N 249.741 3.636 30 20 BHED Cc1nc(S[C@@H](C)CCC#N)sc1C 840200765 SJUDCEFQFFNNKZ-ZETCQYMHSA-N 226.370 3.544 30 20 BHED Cc1ccc(C=Nn2cnc3ccccc32)cc1C 915957081 MLEUKVILVXELEO-UHFFFAOYSA-N 249.317 3.535 30 20 BHED CCCCCCCCCNC(=O)NC1(C)CC1 1318639776 JIKBJOZCMMEFPO-UHFFFAOYSA-N 240.391 3.589 30 20 BHED Cc1cccc(SC[C@@H](C#N)CCC#N)c1 67438602 COABERWCOIYRFC-GFCCVEGCSA-N 230.336 3.531 30 20 BHED CN(CCCC(C)(C)C#N)Cc1ccsc1 87608477 QJDJMUMOYRJQLK-UHFFFAOYSA-N 236.384 3.510 30 20 BHED N#CCCCCN1CCCc2cc(Cl)ccc21 102397111 ZZOOFOOKNJKEEP-UHFFFAOYSA-N 248.757 3.786 30 20 BHED C[C@@H]1CC[C@@H](NCc2ccc(C#N)s2)[C@H](C)C1 135691898 UBKYHFXMWDNCHQ-JTNHKYCSSA-N 248.395 3.534 30 20 BHED C=C(C)CN1CCC(c2ccsc2)CC1 186908077 LCWUGRFJPQTMJS-UHFFFAOYSA-N 221.369 3.504 30 20 BHED C=C[C@](C)(CC)C(=O)N1CCC[C@H](CCC)C1 188510312 FXZLLPGKYAMTQG-DZGCQCFKSA-N 237.387 3.627 30 20 BHED C=C(C)CN[C@H](C)c1ccccc1SC 194966648 WXGWDCWSDGSIQE-LLVKDONJSA-N 221.369 3.635 30 20 BHED CC(C)C[C@@H](C)Nc1nc(Cl)c(C#N)s1 232600937 JWFMCBUACBPWAB-SSDOTTSWSA-N 243.763 3.515 30 20 BHED C=CCC1(C(=O)N2CC(C)(C)[C@H]2C(C)C)CCC1 350747003 IWIVRYFPKWUSBM-CYBMUJFWSA-N 249.398 3.626 30 20 BHED CC(C)[C@H]1CCCCN1Cc1cccc(C#N)c1 353902679 UVBFLWANAKMZNN-MRXNPFEDSA-N 242.366 3.569 30 20 BHED CC(C)C[C@H](C)CSCC1(C#N)CC1 358485800 VRAGFHNWDVWMDG-NSHDSACASA-N 211.374 3.706 30 20 BHED C=CCCCC(=O)Nc1ccc(C#N)cc1Cl 430368835 ZACNASYFARWFID-UHFFFAOYSA-N 248.713 3.506 30 20 BHED C=CCCCC[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 449568711 CPZGWJSSUGPRDV-MJBXVCDLSA-N 247.386 3.613 30 20 BHED C=CCCC[C@H](C)Nc1ncc(C(F)F)cn1 450422221 GOCDRFMDICIJPZ-VIFPVBQESA-N 241.285 3.571 30 20 BHED C=CCCN(C)[C@H](C)Cc1ccc(Cl)cc1 525329024 XWVIDFGISOVFGL-GFCCVEGCSA-N 237.774 3.779 30 20 BHED N#CCCCCN[C@@H]1CCc2c(Cl)cccc21 531705084 ZNGTYTPMTGJTGS-CQSZACIVSA-N 248.757 3.611 30 20 BHED CC#CCCCC(=O)N[C@H]1CCCC[C@H]1CCC 545220417 QMJIFGSGXRHGOP-CABCVRRESA-N 249.398 3.655 30 20 BHED C[C@@H](CCC#N)S[C@@H]1CCc2ccccc2C1 573267761 RMDDNONOTDSSCI-SWLSCSKDSA-N 245.391 3.969 30 20 BHED C=CCCCCCn1nc(C(F)(F)F)cc1C 581040816 SHBJZOKYSHJWAZ-UHFFFAOYSA-N 246.276 3.957 30 20 BHED C[C@@H](CCC#N)CN[C@H](C)CCc1ccccc1 602504508 RYROCHRSUYMURF-LSDHHAIUSA-N 244.382 3.537 30 20 BHED CCCCNN=C1CCC[C@@H]1Cc1ccccc1 735613166 VBGHKRXPIMSPET-OAHLLOKOSA-N 244.382 3.775 30 20 BHED CCON=C1CC(c2cccc(Cl)c2)C1 753924313 ROBDOQWGNHBSDZ-UHFFFAOYSA-N 223.703 3.610 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 754633201 WMQMSRZTDMAKNI-RBSFLKMASA-N 249.398 3.511 30 20 BHED C#CCCNC(C)(C)c1ccc(C(C)C)cc1 760858076 WXWBZJUDJWTSAN-UHFFFAOYSA-N 229.367 3.658 30 20 BHED C#CCCOc1c(OCC)ccc2ccccc12 766412366 FQWQMSPWOWJXTO-UHFFFAOYSA-N 240.302 3.641 30 20 BHED C#CCCCCC(=O)OCc1cc(C)ccc1C 773649850 YBKKUUFJVSMXGA-UHFFFAOYSA-N 244.334 3.540 30 20 BHED Cc1cc(C)cc(NN=C2CCC2(C)C)c1 788975950 UAURLLPLARQFFJ-UHFFFAOYSA-N 216.328 3.891 30 20 BHED C=CCCCCC[C@@H](C)N[C@@H]1CCCOCC1 793548179 TZJGHIHRQBHFAS-HUUCEWRRSA-N 239.403 3.670 30 20 BHED C#Cc1ccc(CNc2ccc(F)c(F)c2)cc1 809425930 ZVUOZHCYCWUQQW-UHFFFAOYSA-N 243.256 3.558 30 20 BHED CCC(=NOC/C=C\Cl)c1ccc(C)cc1 811672353 WZVLGTMNTJQFTN-VXSAHUIBSA-N 237.730 3.878 30 20 BHED CC[C@H](C)C(C)=NNc1ccnc(Cl)c1 853394119 HIHXCVYQGXDFPV-QMMMGPOBSA-N 225.723 3.569 30 20 BHED CCCNN=CC[C@H](C)CCC=C(C)C 915965195 AYDYWSQVCQQJRE-CYBMUJFWSA-N 210.365 3.744 30 20 BHED C=C[C@H](CC)CC(=O)Nc1ccccc1C 929128157 MWWHSYOZSJGFSU-GFCCVEGCSA-N 217.312 3.536 30 20 BHED C[C@H](CC(C)(C)C#N)NC[C@@H]1CCC[C@H]1C1CC1 1308820809 NZHKOPNXCYENRE-SNPRPXQTSA-N 248.414 3.731 30 20 BHED C=C(Cl)CN1Cc2ccccc2C2(CCC2)C1 1321844504 GCVOMCGMHOBDPY-UHFFFAOYSA-N 247.769 3.676 30 20 BHED C=CCCCNc1cccc(Cl)c1F 70591504 ISOIAAQXFNTDSK-UHFFFAOYSA-N 213.683 3.857 30 20 BHED CCCCCCCCCNCc1cc(C)on1 105886531 MEOBOPHMHZOLFV-UHFFFAOYSA-N 238.375 3.823 30 20 BHED N#CCCCCN[C@@H]1CCC[C@@H]1c1ccccc1 118967038 RVGJFKNQEMNOQG-HZPDHXFCSA-N 242.366 3.606 30 20 BHED CCN(CCCC#N)c1ccc2ccccc2c1 124904409 OHIGROCIZRUFMF-UHFFFAOYSA-N 238.334 3.970 30 20 BHED C=C(C)CN[C@H](C)c1ccc(OC(F)F)cc1 128481941 YUGMOYWGFKCDCE-SNVBAGLBSA-N 241.281 3.515 30 20 BHED C=CCSCCN[C@H](C)c1ccc(C)cc1 129351203 IEFLWKRJYWEQRE-CYBMUJFWSA-N 235.396 3.565 30 20 BHED Cc1cc(OCc2cccc(C#N)c2)ccc1F 135347493 NSXJBMWGJRLGLL-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=C[C@@H](C)N[C@@H](CC)c1ccc(CC)cc1 157250616 AUXOFFNUNDUMAH-DOMZBBRYSA-N 217.356 3.864 30 20 BHED C[C@H](Nc1ccccc1O[C@H](C)C#N)C1CCC1 180206209 ZHAYVPJQTROLML-NEPJUHHUSA-N 244.338 3.578 30 20 BHED COc1cccc(CS[C@@H](C)CCC#N)c1 188305296 GNZUMMMMEQEEMM-NSHDSACASA-N 235.352 3.621 30 20 BHED C=C(C)C[C@@H](C)C(=O)Nc1ccc2cc[nH]c2c1 194867088 OXXVXCGKTYKOQG-LLVKDONJSA-N 242.322 3.709 30 20 BHED C#CCCCCN[C@@H]1CCC[C@H](C(C)C)C1 232733926 PHCPSAOCTZJYKB-LSDHHAIUSA-N 221.388 3.594 30 20 BHED C=CCC(C)(C)C(=O)N(C)Cc1ccc(C)cc1 292199179 KPQQAYGAWPXKJD-UHFFFAOYSA-N 245.366 3.556 30 20 BHED C=C[C@H](C)NCCCc1c(F)cccc1Cl 309405700 HYFAMAYBPXHVEL-JTQLQIEISA-N 241.737 3.576 30 20 BHED C=CC[C@@H](CC)N[C@@H]1CCCc2occc21 309624071 FGHFZKVOIKFLKR-DGCLKSJQSA-N 219.328 3.601 30 20 BHED C=C[C@H](C)Nc1ccc2ccc(Cl)cc2n1 309769820 KENMFCYGJBUHKM-VIFPVBQESA-N 232.714 3.875 30 20 BHED C=C(CC)CN[C@H]1C[C@H](C)c2c(C)ccc(O)c21 313483976 NPVQAFDACKXWFV-STQMWFEESA-N 245.366 3.805 30 20 BHED CC(C)C[C@@H](C)C[C@H](C)NCCCCC#N 336696854 ZARCBPGLRXENIB-KGLIPLIRSA-N 224.392 3.731 30 20 BHED C[C@H]1CCC[C@@H]([C@H](C)NCCC(C)(C)C#N)C1 452055405 BOQGTEKMCSFBNT-MELADBBJSA-N 236.403 3.731 30 20 BHED C=CC(C)(C)c1nc(C2CCCCC2)no1 453025665 PPVALZAJQXHDFE-UHFFFAOYSA-N 220.316 3.581 30 20 BHED C=CCC1(CNC(=O)[C@@H](C)C(C)C)CCCC1 456481824 CRMRXQYYIKHYFH-ZDUSSCGKSA-N 237.387 3.531 30 20 BHED C=CC[C@@H](CC)NC(=O)NC(CC)(CC)CC 466388390 NIOVNVNEILDFBS-GFCCVEGCSA-N 240.391 3.609 30 20 BHED C(#Cc1ccccc1)CNc1ccc2ccoc2c1 479498340 MFTRMJANGVGEBD-UHFFFAOYSA-N 247.297 3.896 30 20 BHED C=CCC1(NC(=O)c2cocc2C)CCCCC1 529459927 SMFVJSDCXFXCTP-UHFFFAOYSA-N 247.338 3.597 30 20 BHED C=CCCCC(=O)N[C@H]1CCCC[C@H]1CCC 530882669 ROUMOOYEMJRWRJ-KGLIPLIRSA-N 237.387 3.818 30 20 BHED C=CCCOc1ccc2[nH]c(C)c(C)c2c1 559138305 FUKBBTMFAFPQGX-UHFFFAOYSA-N 215.296 3.740 30 20 BHED C=CCC[C@@H](N[C@H]1CCC[C@H]1F)c1ccco1 565789594 VKBGCSVQNIYQDN-FRRDWIJNSA-N 237.318 3.767 30 20 BHED N#Cc1cccc(-c2ccc3cc[nH]c3c2)c1 589962991 OBCFKEKDKFCAEB-UHFFFAOYSA-N 218.259 3.707 30 20 BHED Cc1ccc([C@@H](C)CNC[C@@H](C)CCC#N)cc1 602559256 XETRUTKVHLXRJW-GJZGRUSLSA-N 244.382 3.628 30 20 BHED C=CCCN(CC)c1cccc(C)c1C 606897103 QZJDPRZXCNEPDK-UHFFFAOYSA-N 203.329 3.706 30 20 BHED C=CCN(CC=C)Cc1cccc(OC(C)C)c1 613415841 NTQYDOBYNKWENA-UHFFFAOYSA-N 245.366 3.648 30 20 BHED CC(C)CC[C@@H]1CCC[C@H]1NCC(C)(C)C#N 613540303 JROVHWLYTNOQTH-UONOGXRCSA-N 236.403 3.731 30 20 BHED C=CC[C@H](CC)NC(=O)C1[C@H]2CCCCCC[C@H]12 614396644 PLNNKVYDHMWUIU-IHRRRGAJSA-N 249.398 3.674 30 20 BHED Cc1ccc(C2CC(=NNC3CCCC3)C2)cc1 729819008 BEEXJRMHSQUWNE-UHFFFAOYSA-N 242.366 3.761 30 20 BHED Cc1cc(C)cc(NN=Cc2ccccc2C#N)c1 755565130 LKMGJRBCCVCOTO-UHFFFAOYSA-N 249.317 3.621 30 20 BHED Cc1cc(CNc2ccc(F)c(C#N)c2)c(C)o1 762652590 QXOURROPYQGNKO-UHFFFAOYSA-N 244.269 3.519 30 20 BHED CC1=CCC[C@H](C)[C@@H]1C=NO[C@H]1CCCCO1 773208721 NVPZVJGREZRYCW-MJBXVCDLSA-N 237.343 3.508 30 20 BHED CCC(CC)CNN=Cc1cc(C)sc1C 774469009 AUARTRMZWLJYGD-UHFFFAOYSA-N 238.400 3.725 30 20 BHED CC(C)Oc1ccc(N[C@@H]2CC[C@H]2C)cc1C#N 783661483 VHGNUYMVGNLSHA-BXUZGUMPSA-N 244.338 3.556 30 20 BHED Cc1cccc(C)c1/C=C/C(=O)c1cncs1 787171918 QTSCKZTXJHPCBN-VOTSOKGWSA-N 243.331 3.656 30 20 BHED CC[C@H](C)NN=C1CC(c2ccc(C)cc2)C1 790182643 FMSXHRGZCPPFNP-NBFOIZRFSA-N 230.355 3.617 30 20 BHED C[C@H](NN=C1CC[C@@H](C)C[C@H]1C)C(C)(C)C 793117619 XQDMPBCRLDOUFE-UTUOFQBUSA-N 224.392 3.823 30 20 BHED C=CCNN=C(C)c1cc2cc(Cl)ccc2o1 794993752 GHETWWGBENLELY-UHFFFAOYSA-N 248.713 3.586 30 20 BHED CCc1cccc(C)c1NN=CC1(C)CC1 799493983 YLFRXDPTHQODMB-UHFFFAOYSA-N 216.328 3.755 30 20 BHED C=CCCC(CCC)=NOCC(F)(F)F 814881044 POLXYUNLHMJJSY-UHFFFAOYSA-N 223.238 3.688 30 20 BHED C[C@@H](C=NO[C@H]1CCCCO1)C1CCCCC1 814886658 CAZYFNQBRZUYFL-JSGCOSHPSA-N 239.359 3.732 30 20 BHED CCC[C@@H]1CCC[C@@H]1C(=O)OC1(CC#N)CCC1 835399826 MMAMBIQRJRYFLD-OLZOCXBDSA-N 249.354 3.582 30 20 BHED C#CCCCCC(=O)N[C@@H](C)[C@H]1CCC[C@H](C)C1 837157373 VRESFNYTSUAZQY-KKUMJFAQSA-N 249.398 3.511 30 20 BHED C=CCCCCC[C@@H](C)N[C@H](C)c1ccn(C)n1 839193088 YKTFBWBQETYAHF-ZIAGYGMSSA-N 249.402 3.596 30 20 BHED CCCCCCCCC(=O)N1CC[C@@H]2C[C@@H]2C1 856059344 QODYIEHUAHIGCH-ZIAGYGMSSA-N 237.387 3.605 30 20 BHED C#CCc1c(C)nn(C2CCCCCC2)c1C 871951909 WDSAQFLVLRWZQT-UHFFFAOYSA-N 230.355 3.571 30 20 BHED C=CC[C@@H](C)[C@@H](C)N[C@H](C)c1ccccc1O 877756272 DVWRFHUWEWWICL-JHJVBQTASA-N 233.355 3.644 30 20 BHED C=CCCC[C@@H](C)OC(=O)c1csc(C#N)c1 1122733001 ZNVHXWRPZWTOMZ-SNVBAGLBSA-N 249.335 3.521 30 20 BHED C=CCN(Cc1csc(C(C)C)n1)C(C)C 1323286387 VUEYVXSQFIWRFM-UHFFFAOYSA-N 238.400 3.663 30 20 BHED C[C@@H]1CN(CCC2(C#N)CCCCC2)CC[C@H]1C 1653797028 WRJVIJCHSQWNAX-HUUCEWRRSA-N 248.414 3.828 30 20 BHED CCC[C@@H](C)N(C)c1ccc(C#N)c(Cl)c1 61850885 KAIIQOHQJGXUHX-SNVBAGLBSA-N 236.746 3.836 30 20 BHED CCc1ccc(C(=O)/C=C/c2ccccc2F)o1 83987963 IPLIOYSTZYOAKA-VQHVLOKHSA-N 244.265 3.877 30 20 BHED C=C(CC)CN[C@H](CC)c1cccs1 85058010 MWPKCKMKWLCZDH-LLVKDONJSA-N 209.358 3.755 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 116907851 NBBFEZFFMOTVGW-NXEZZACHSA-N 225.282 3.580 30 20 BHED Cc1cccc(/C=C/C(=O)c2ccco2)c1C 118993961 RTGWJIARXFYIMK-CMDGGOBGSA-N 226.275 3.793 30 20 BHED C=C(CN[C@H](C)c1ccco1)c1ccccc1 134370280 XWZOWLIALFYGIX-CYBMUJFWSA-N 227.307 3.644 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)C1CCCCCC1 191817822 NKZOTMCANITDPI-OAHLLOKOSA-N 237.387 3.770 30 20 BHED C(=NNc1ccccc1)c1ccnc2ccccc12 255980614 JEUJTPUZGSJKSI-UHFFFAOYSA-N 247.301 3.681 30 20 BHED C=CCC[C@@H](N[C@H](C)CSC)c1ccco1 285947823 GAGBKSVLPYYEEZ-VXGBXAGGSA-N 239.384 3.628 30 20 BHED CC(F)(F)CCNc1ccc(C#N)c(Cl)c1 294154661 HVBAAXSVKQTTAQ-UHFFFAOYSA-N 244.672 3.669 30 20 BHED C=C[C@H](C)Nc1cc(C)nc2ccc(F)cc12 301678343 QZORJAQVNUNPHR-VIFPVBQESA-N 230.286 3.669 30 20 BHED CCCCCCCCN[C@]1(CC)CCOC1 309466972 PPLRMAMWDJVNHA-CQSZACIVSA-N 227.392 3.506 30 20 BHED CCCCCCCNCc1sc(C)nc1C 309637090 SXVDRYKCBRHVLV-UHFFFAOYSA-N 240.416 3.820 30 20 BHED C=CCNc1ccc(Cl)cc1OCC(F)F 310039432 XAGIDCOHJCKOKT-UHFFFAOYSA-N 247.672 3.582 30 20 BHED Cc1csc(CSc2ccccc2C#N)n1 336456994 YBTPVRPFDMGPDS-UHFFFAOYSA-N 246.360 3.616 30 20 BHED CCC1(C)CCC(NCCCCC#N)CC1 336746738 WUKDEWNZCPQTAQ-UHFFFAOYSA-N 222.376 3.629 30 20 BHED C=CCOCCCSc1ccccc1F 356022949 RIYSSWGBOABVKV-UHFFFAOYSA-N 226.316 3.511 30 20 BHED C=CCCCCN[C@@H]1CCc2c(F)cccc21 379752296 OKIGCJCHZMREAM-OAHLLOKOSA-N 233.330 3.759 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccc(C)cc1O 393776877 YMXCNGDVBJWUAF-QWHCGFSZSA-N 233.355 3.706 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1cccc(F)c1F 393798293 LBQCBYJTPPZYRK-MNOVXSKESA-N 239.309 3.970 30 20 BHED C=CC(C)(C)C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C 410538063 ACMHTVDTNPJGNP-NWDGAFQWSA-N 237.387 3.530 30 20 BHED CC[C@@H]1CCN(CCC2(C#N)CCCCC2)C1 411333514 OBWPWCHJEZMAGI-CQSZACIVSA-N 234.387 3.582 30 20 BHED CC(C)N(CCC1(C#N)CCCCC1)C(C)C 411443763 MAIDQMZHKVQQEW-UHFFFAOYSA-N 236.403 3.969 30 20 BHED C=CCC[C@@H](NC[C@@H](C)CC(F)(F)F)C1CC1 414289906 WKKPXKHDUKZOPP-CMPLNLGQSA-N 249.320 3.909 30 20 BHED C=C(C)C(C)(C)C(=O)NCCCC1CCCC1 424569740 RUQAXVRRDMFJNG-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCC[C@H](CCC)N[C@@H](C)c1nccn1CC 449563559 WJXWDLBYYXFKLC-KBPBESRZSA-N 249.402 3.689 30 20 BHED C=C[C@](C)(CC)C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 467940197 ZMLHHGBESSVBQT-TTZDDIAXSA-N 249.398 3.531 30 20 BHED N#Cc1ccc(C(F)(F)F)c(NC2CCC2)c1 475419376 CINQPPZJVKNDJN-UHFFFAOYSA-N 240.228 3.541 30 20 BHED C=CC[C@H](C)NC(=O)C[C@@H]1CCCCC1(C)C 503468948 UMDXHOFKHQGNIE-STQMWFEESA-N 237.387 3.674 30 20 BHED CC(C)c1ccc2c(c1)[C@@H](NCCC#N)CCC2 519142010 VHUSQNATJIHABV-INIZCTEOSA-N 242.366 3.691 30 20 BHED C=C(CC)CN1CCc2sccc2[C@@H]1C 539095062 BLTUYLFVNZFZNL-NSHDSACASA-N 221.369 3.633 30 20 BHED Cc1cc(SCCCCC#N)ccc1C#N 575045491 GGNZPTFYZVEZCY-UHFFFAOYSA-N 230.336 3.653 30 20 BHED C=CCCCSc1nc2ccccc2nc1C 605076809 GKUYCKQLKPTFKI-UHFFFAOYSA-N 244.363 3.997 30 20 BHED O=C(/C=C\c1cccc(Cl)c1)c1cncs1 735793169 RKNUVUDTLATOCY-PLNGDYQASA-N 249.722 3.693 30 20 BHED CC(CC1CCC1)=NNc1ccc(F)cc1 758359302 POXAAOMTNKYPFY-UHFFFAOYSA-N 220.291 3.804 30 20 BHED CC(C)=CCC/C(C)=C/C=NOCC(F)F 758904833 YYNQMIDNTMZQSO-TZSGXZTKSA-N 231.286 3.947 30 20 BHED C(CC[C@H]1C[C@H]2CC[C@H]1C2)=NNc1ccccn1 768767673 LQAKSQLZXBEHPK-RDBSUJKOSA-N 243.354 3.696 30 20 BHED CC[C@H](C)NN=C(C)C12CC3CC(CC(C3)C1)C2 790189879 RWJLRHDXMSSPSU-DSGUZJNWSA-N 248.414 3.967 30 20 BHED C[C@H](NN=C1CC(C)(C)C[C@H]1C)C(C)(C)C 793112078 OSEIOPLDPZGBAY-MNOVXSKESA-N 224.392 3.823 30 20 BHED CSCCON=C[C@H](C)CC1CCCCC1 794574373 DWWOIJKIFLBBCF-GFCCVEGCSA-N 243.416 3.958 30 20 BHED C=CCCCCCCNC(=O)C(CC)CC 805218518 CGFRSPUQSWGUAG-UHFFFAOYSA-N 225.376 3.675 30 20 BHED Fc1cc(Cl)cc(C=NOC/C=C/Cl)c1 811671421 RCHYKWVEIOWLRC-MOWUIJEESA-N 248.084 3.582 30 20 BHED C=CCC(F)(F)C(=O)NC(C)(C)CC(C)(C)C 814890609 UFHLADYRTCLWMT-UHFFFAOYSA-N 247.329 3.529 30 20 BHED C=CCC1(NC(=O)C(C)=C2CCC2)CCCCC1 836957719 XHUVJAITDCLETE-UHFFFAOYSA-N 247.382 3.882 30 20 BHED C=CCCCC(=O)N(CCCC)c1ccccn1 876083668 IKAOVSKRFFPYCA-UHFFFAOYSA-N 246.354 3.571 30 20 BHED C=CCC(CC=C)c1nc(CCCCF)no1 897208417 SSVLGVVRPVQJKL-UHFFFAOYSA-N 238.306 3.598 30 20 BHED C=CCC[C@@H](NCC1(C#N)CCC1)c1ccco1 903033278 RXVKUKQPWSEXSU-CYBMUJFWSA-N 244.338 3.570 30 20 BHED Cc1ccc(C=NNc2ccc(C#N)cc2)c(C)c1 915961917 KLQMINYLKGWLCH-UHFFFAOYSA-N 249.317 3.621 30 20 BHED C=CCN(Cc1ccc(SC)cc1)C(C)C 917069245 LPQCAYOLQMMRBG-UHFFFAOYSA-N 235.396 3.805 30 20 BHED C=CCCCc1nnc(-c2cc(C)cs2)o1 1329293931 USUGGCHPFLSTDS-UHFFFAOYSA-N 234.324 3.615 30 20 BHED C#CCCCCCC(=O)N1CCC[C@@H]1CCC=C 1337558318 OJUMPMIZKWFENC-HNNXBMFYSA-N 247.382 3.527 30 20 BHED CC(C)(C)ON=C1CCCc2sccc21 1343881240 DHJUPGKOPOPJAU-UHFFFAOYSA-N 223.341 3.604 30 20 BHED C=C(CC)C(=O)N(CC)[C@H](C)c1ccc(F)cc1 1350918967 ZTQOVWILYIWAGG-GFCCVEGCSA-N 249.329 3.701 30 20 BHED C=C(C)CCCN(CC)c1cccc(C(=O)O)c1 1776138554 CJKSFTVIKAIQKN-UHFFFAOYSA-N 247.338 3.567 30 20 BHED N#Cc1ccccc1NCc1ccccc1Cl 19921325 NOTJQPULGGAANG-UHFFFAOYSA-N 242.709 3.824 30 20 BHED CC[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1 37031640 HMFWXAMLLPABIU-HOTGVXAUSA-N 242.366 3.617 30 20 BHED C[C@H](NCCC1CCCC1)c1cccc(C#N)c1 37739779 PANBZVCMNBYBPA-ZDUSSCGKSA-N 242.366 3.789 30 20 BHED C=C(C)CNc1cccc(OC(F)(F)F)c1 54917961 VNFRNVZUSAGQAL-UHFFFAOYSA-N 231.217 3.573 30 20 BHED CCC[C@H]1CCCN(CC(C)(C)CCC#N)C1 93704833 HTIHVGYJSSJRHM-AWEZNQCLSA-N 236.403 3.828 30 20 BHED C[C@@H](N[C@H]1CCCC1(C)C)c1ccc(C#N)cc1 94305389 NRVIGQRQDJQFCE-DOMZBBRYSA-N 242.366 3.788 30 20 BHED C=CCC[C@@H](C)NCCc1c[nH]c2ccccc12 130510347 OMTVFNJDQIQUSO-CYBMUJFWSA-N 242.366 3.655 30 20 BHED C=CCC(CC=C)C(=O)N1[C@@H](C)CCC[C@@H]1C 130679740 DKAUYZGSRHLDTL-STQMWFEESA-N 235.371 3.544 30 20 BHED C[C@@H](CNc1ccc(Cl)cc1C#N)C1CC1 135471892 OKGSATNFMBESSE-VIFPVBQESA-N 234.730 3.670 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccccc1Cl 136203276 WWRIRBHENZTRFH-VHSXEESVSA-N 209.720 3.565 30 20 BHED CCc1ccc(C(=O)/C=C/c2cccc(F)c2)o1 176680446 RKRDPQLNWFUAFZ-SOFGYWHQSA-N 244.265 3.877 30 20 BHED C#CCCCCN[C@@H]1CCC[C@@H](C(C)C)C1 232731757 PHCPSAOCTZJYKB-HUUCEWRRSA-N 221.388 3.594 30 20 BHED N#Cc1ccc(/C=C\c2cc3ccccc3o2)nc1 255065010 JDDRTOZBDWXHQZ-FPLPWBNLSA-N 246.269 3.870 30 20 BHED C=CC1CCN(c2ccnc3ccsc23)CC1 301360249 ADYGJMBBZAVDAL-UHFFFAOYSA-N 244.363 3.699 30 20 BHED CC(C)CC1(CNc2ccc(C#N)cn2)CCC1 301599015 HPUXZQUYTAZWBC-UHFFFAOYSA-N 243.354 3.582 30 20 BHED CC[C@H](CC#N)NCC1CCC(C(C)C)CC1 310250414 WFKYSMZFFSALTJ-YMAMQOFZSA-N 236.403 3.731 30 20 BHED C=CCN(Cc1coc2ccccc12)C1CC1 350269216 RGMTWTIXWPLNLF-UHFFFAOYSA-N 227.307 3.583 30 20 BHED C=C(C)CCN[C@H](CC)c1cccc([N+](=O)[O-])c1 351761104 WOHFSQKQWNEIEU-CQSZACIVSA-N 248.326 3.602 30 20 BHED CCC(C)(C)CCN(CCC#N)Cc1ccco1 357923060 GBCLKIZAYSSDIL-UHFFFAOYSA-N 248.370 3.822 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCC(C)(C)CC=C 393444835 RHZHHTRLYICQOC-CHWSQXEVSA-N 209.377 3.779 30 20 BHED CCCCCCCCCN1CCC[C@@H](O)CC1 393453093 GWPMPOWUZJDYED-OAHLLOKOSA-N 241.419 3.584 30 20 BHED CC(C)[C@H]1CCCC[C@@H]1NCC(C)(C)CC#N 414167857 PXJFSCRZSHNSPV-KGLIPLIRSA-N 236.403 3.731 30 20 BHED Cc1cc(-c2nc3c(C)cccc3[nH]2)ccc1C#N 435689752 CWQDGULZFRCRPQ-UHFFFAOYSA-N 247.301 3.718 30 20 BHED C=CCOc1cccc(CN[C@H]2CC[C@H](C)C2)c1 436415229 WSAFPGFKCUYCON-ZFWWWQNUSA-N 245.366 3.530 30 20 BHED C=CC(C)(C)CNC(=O)C[C@H]1CCC[C@H](C)C1 452774517 FFZVBVAOFAXOAP-STQMWFEESA-N 237.387 3.531 30 20 BHED C=CCCN(C)C(=O)CCCC1CCCCC1 466633079 DNKIFFJBPQMMMV-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 531951133 AOSFMUSSGOSNMR-BFHYXJOUSA-N 242.366 3.810 30 20 BHED C=C(CC)CSc1ncc(C(C)C)n1C 536899215 BVZYUYSVXIWHCB-UHFFFAOYSA-N 224.373 3.602 30 20 BHED CC(C)C[C@H](NCCCC#N)c1ccc(F)cc1 593708362 UAQPCFHPXVQHMG-HNNXBMFYSA-N 248.345 3.806 30 20 BHED C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC1(C)C 595910964 VAEXFEWZAGWUBG-WFASDCNBSA-N 242.366 3.597 30 20 BHED CC(=NNc1ccc(Cl)cc1)C(C)C 606510702 XWSCUGSMTLANIZ-UHFFFAOYSA-N 210.708 3.784 30 20 BHED C=C(C)CN(C)C(=O)C[C@H](C)CCC=C(C)C 648347983 KHHCBPJFKGNJPI-CQSZACIVSA-N 237.387 3.794 30 20 BHED CCOCCCON=Cc1ccc(C(C)C)cc1 742350564 GCDNGWLCBCGSHQ-UHFFFAOYSA-N 249.354 3.587 30 20 BHED CCCCCCCOC(=O)[C@H]1Cc2ccccc21 744046744 HBCPUUNWUMWLCW-HNNXBMFYSA-N 246.350 3.840 30 20 BHED CCCCCCCCC(=O)NC1CC(C)C1 752450512 KUNHKHVHDOJGHP-UHFFFAOYSA-N 225.376 3.652 30 20 BHED CCCCC=NNc1ncccc1C(F)(F)F 755643650 WLHWHGHJHKYJSL-UHFFFAOYSA-N 245.248 3.688 30 20 BHED FC(F)(F)c1ccc(CON=CC2CC2)cc1 755803835 JJGUWVLOTTZGHE-UHFFFAOYSA-N 243.228 3.618 30 20 BHED CCCCCCC(C)=NOCC(F)F 758902070 AODJXSMALJUEKD-UHFFFAOYSA-N 207.264 3.614 30 20 BHED CCC(CC)NN=C(C)CCCC(C)C 764693184 SVSVECFNGCCFDT-UHFFFAOYSA-N 212.381 3.967 30 20 BHED CCC(CC)NN=C[C@@H]1CCC[C@@H](C)C1 768361739 IDJACELIVMKXEG-VXGBXAGGSA-N 210.365 3.577 30 20 BHED C=C(CC)COC(=O)c1sccc1C1CC1 773502378 ZWZWVOSPCYXIIY-UHFFFAOYSA-N 236.336 3.749 30 20 BHED C=C(C)CCSc1ncnc2ccccc12 775131048 IMIJUXKYKFCCPV-UHFFFAOYSA-N 230.336 3.688 30 20 BHED C1=C[C@H]2C[C@H]1C[C@H]2C=NOC1CCCCC1 777458846 KJYKTFWTXVQDOJ-AVGNSLFASA-N 219.328 3.534 30 20 BHED CC[C@@H](C)CON=C1CCC[C@@H]1CCF 793164765 YIKNEBNRCSICMC-GHMZBOCLSA-N 215.312 3.565 30 20 BHED CSCCON=C[C@@H]1CCCC(C)(C)C1 794577207 OKPIGJGINKDILW-LLVKDONJSA-N 229.389 3.568 30 20 BHED C#CC[C@H](N[C@H]1CCC12CCC2)c1ccccc1 800483136 ZQDXGSRXVUNEIO-HOTGVXAUSA-N 239.362 3.673 30 20 BHED C[C@H]1CC[C@@H](C=NNc2ccc(F)cc2F)C1 800804313 WKTKHAGIGZWVNC-VHSXEESVSA-N 238.281 3.799 30 20 BHED CC(C)[C@H](C=NOCC1CC1)c1ccccc1 814241794 OJQXRFLVUIVULB-HNNXBMFYSA-N 231.339 3.839 30 20 BHED Fc1cc(NN=C2CCCC23CCCC3)ccn1 814902204 ISPFYNCUQXNHSV-UHFFFAOYSA-N 247.317 3.733 30 20 BHED C=CCCCCC(C)=NNc1cccc(F)n1 834977884 RYLIHFMFZQMCMK-UHFFFAOYSA-N 235.306 3.755 30 20 BHED N#C[C@@H]1CCC[C@H](OC(=O)C=C2CCCCC2)C1 839046834 BDFUFMMGTKTNNM-KGLIPLIRSA-N 247.338 3.502 30 20 BHED CC[C@@H](C)CC=NNc1ccnc(Cl)c1 853395328 TYEVNSGDJJENCC-SECBINFHSA-N 225.723 3.569 30 20 BHED N#C[C@H](SCc1ccncc1)C1CCCCC1 901630994 RPWDXRRFPJUUBQ-AWEZNQCLSA-N 246.379 3.787 30 20 BHED CC[C@H](NCC1(C#N)CCC1)c1cccc(F)c1 903032849 LNQKXMMGJJRMQZ-AWEZNQCLSA-N 246.329 3.560 30 20 BHED CCCCNN=Cc1ccc(C(C)(C)C)cc1 915965932 GXAXPQYYKTVXMC-UHFFFAOYSA-N 232.371 3.708 30 20 BHED CCCCCCCCCN(C)C(=O)[C@H]1C[C@@H]1C 918397386 BNRYACNSAITGKO-KBPBESRZSA-N 239.403 3.851 30 20 BHED CC[C@@H]1C[C@H]1COc1c(C)cc(Cl)cc1C#N 1307358793 RMLHZEPNYNIQRL-PWSUYJOCSA-N 249.741 3.945 30 20 BHED CC[C@H](NC[C@H](C)CCC#N)c1ccc(F)cc1 1330639908 ALAVDAKGSCSINJ-DOMZBBRYSA-N 248.345 3.806 30 20 BHED C=CCC[C@H](NCCCC(F)F)c1ccco1 1333150507 RPODGTWVROPRFE-NSHDSACASA-N 243.297 3.922 30 20 BHED CCCC[C@@H](CCC)CNc1ccc(C#N)cn1 1639611149 XCFRCVWXPCXOBB-CYBMUJFWSA-N 245.370 3.972 30 20 BHED C=CCN(C)[C@H](CC)c1ccc(F)cc1F 121384517 UMBXZTWPINAURE-CYBMUJFWSA-N 225.282 3.534 30 20 BHED CC[C@H]1CC[C@@H](C)N1c1ccc(C#N)c(Cl)c1 124484502 XYSBMVLMFXRTAH-PWSUYJOCSA-N 248.757 3.979 30 20 BHED C=CCC[C@H](C)N[C@H](C)c1c(F)cccc1F 135713636 KPXFXIWJNYMBIO-WDEREUQCSA-N 239.309 3.970 30 20 BHED C#CCCCN[C@@H]1C[C@@H](c2ccccc2)C1(C)C 184560136 NQLXWQDDRJPHIU-JKSUJKDBSA-N 241.378 3.572 30 20 BHED Clc1ccc(NN=Cc2cccs2)cc1 254499398 XOKFJXCJDRHHKI-UHFFFAOYSA-N 236.727 3.848 30 20 BHED CC(C)N(CCCCC#N)Cc1ccccc1F 263776765 DVJRMTYKWFMMQD-UHFFFAOYSA-N 248.345 3.730 30 20 BHED C=C(C)CN(CC)Cc1c(C)cccc1C 303743729 JEMIROCIQQTBMR-UHFFFAOYSA-N 217.356 3.701 30 20 BHED C#CCCCCN[C@H](CCC(C)C)C1CC1 304340961 OUUCNZPKNJBNDC-OAHLLOKOSA-N 221.388 3.594 30 20 BHED CC(C)(C)OCCCCOc1cccc(C#N)c1 352553390 IDYHMXZCDFNGIS-UHFFFAOYSA-N 247.338 3.532 30 20 BHED C=C(C)CSCc1cc(F)cc(F)c1 437931982 ZISQWGFMKLKLLH-UHFFFAOYSA-N 214.280 3.774 30 20 BHED C=CC[C@@H]1N(C(=O)C2=CCCC2)CCCC1(C)C 443872370 ZQNFUBNDWUQYCG-AWEZNQCLSA-N 247.382 3.690 30 20 BHED C=CCC1(C(=O)N(C)C[C@@H](C)CC)CCCC1 449856926 QGIJCYBCQFASGB-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED Cc1ccc(/C=C/c2ccncc2C#N)cc1C 470289984 ORFLJDYJNVDKLF-AATRIKPKSA-N 234.302 3.741 30 20 BHED CC(C)[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H](C#N)C2)CC1 471597526 FJWJPICYSOWFDW-LVQVYYBASA-N 248.414 3.873 30 20 BHED C=C[C@@H]1CCCCN1Cc1nc(C2CC2)cs1 489512731 OJLFFPHKDPOSFG-GFCCVEGCSA-N 248.395 3.561 30 20 BHED C=C(C)CN1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 502790240 MYQPEIUSYUYSOV-IAGOWNOFSA-N 239.362 3.883 30 20 BHED CCC(CC)[C@H](C)C(=O)Nc1ccc(C#N)cc1 535626091 JUFKZNSPRUMMSI-NSHDSACASA-N 244.338 3.569 30 20 BHED C[C@@H](CCC#N)S[C@H]1CCc2ccccc2C1 573267762 RMDDNONOTDSSCI-WFASDCNBSA-N 245.391 3.969 30 20 BHED C[C@@H](CCC#N)CNc1ccccc1Cl 602488898 BPHBSFTUKATUKN-JTQLQIEISA-N 222.719 3.692 30 20 BHED C[C@@H](CCC#N)CNC1CCC(C2CCC2)CC1 602723794 SZZDFRGKAQUGNA-JEYLPNPQSA-N 248.414 3.875 30 20 BHED C=CCN(C(=O)CC1=CCCCC1)C(C)(C)C 622944581 YFFSMDQJMLSSJE-UHFFFAOYSA-N 235.371 3.690 30 20 BHED C=CCCC(=O)Oc1ccc(C(C)(C)C)cc1 726495121 HNADMCRDCKVUCM-UHFFFAOYSA-N 232.323 3.856 30 20 BHED C=CCN(CC#Cc1ccc(Cl)cc1)C(C)C 750039582 QOFNPCAZAUIKCY-UHFFFAOYSA-N 247.769 3.588 30 20 BHED C#CC[C@H](NC[C@H]1CC=CCC1)c1ccccc1 756996842 SGAAZOQVAFODCD-RDJZCZTQSA-N 239.362 3.697 30 20 BHED CC[C@@H]1C[C@H](C)CCC1=NOCC(F)(F)F 769585251 MQYLWCRTKRYCSD-RKDXNWHRSA-N 237.265 3.768 30 20 BHED CCCC[C@H]1CCCC1=NNCC(C)C 771567607 QLGQQBRYGKIGLE-LBPRGKRZSA-N 210.365 3.578 30 20 BHED CC(=NOC1CCCCC1)c1ccc(C)o1 777457223 OZPRMGQJEDMLQV-UHFFFAOYSA-N 221.300 3.661 30 20 BHED C=CCN(C)C(=O)C[C@@H](C)CCCCCC 777840398 RMPLYEOLJZECBG-ZDUSSCGKSA-N 225.376 3.627 30 20 BHED CC[C@H]1CCCCC1=NOCC(F)(F)F 779784005 OJZKSCWAMDGJGH-QMMMGPOBSA-N 223.238 3.522 30 20 BHED C#CCCCCNC(=O)CCCCC(C)(C)C 804441662 IESXRHLRGMEYNH-UHFFFAOYSA-N 237.387 3.513 30 20 BHED C=CCCCCCCNC(=O)CC1CCCC1 805218231 VHKQYFWFGSWSQU-UHFFFAOYSA-N 237.387 3.819 30 20 BHED Cc1cc(F)ccc1NN=CCCC1CC1 807978753 BYSHRULUFALQRH-UHFFFAOYSA-N 220.291 3.722 30 20 BHED CC(C)OCCON=C[C@H]1CCCC(C)(C)C1 812238106 MYNBSFMOFZTDRX-ZDUSSCGKSA-N 241.375 3.630 30 20 BHED C#CCCCCCC(=O)N(C1CCC1)C1CCC1 814164913 DDAJRESDENLKCH-UHFFFAOYSA-N 247.382 3.504 30 20 BHED CC(Cc1ccc(O)cc1)=NOC1CCCCC1 814910582 XMFFMOQNLJZWRJ-UHFFFAOYSA-N 247.338 3.660 30 20 BHED CC(C)(C)SCCS[C@@H]1CC[C@H](C#N)C1 829506405 UTSWVTNVMFGKAT-WDEREUQCSA-N 243.441 3.944 30 20 BHED C=C[C@@](C)(CC)C(=O)O[C@H](CC)c1ccncc1 839446852 ZNEMSAAGHKTRJQ-HIFRSBDPSA-N 247.338 3.678 30 20 BHED CCCON=C[C@@H](CC)c1ccccc1 842550307 CWDHBLZCZMLHDV-GFCCVEGCSA-N 205.301 3.593 30 20 BHED CC[C@H](NCCC(C)(C)F)c1cccc(C#N)c1 903051316 INJXRFMOMJHJAV-AWEZNQCLSA-N 248.345 3.737 30 20 BHED C=C[C@H](CC)CC(=O)N1CC[C@H](C)C2(CCC2)C1 935210486 JHYCCEIULKXUIC-UONOGXRCSA-N 249.398 3.627 30 20 BHED CC(C)(C)ON=C/C=C\c1ccccc1 1116404961 RQGAJYGIVQRCJK-OFXSHPRPSA-N 203.285 3.501 30 20 BHED CCCC[C@@H](CC)CNCc1cccc(C#N)c1 20010828 GYRQOOFGXSHUDR-CQSZACIVSA-N 244.382 3.864 30 20 BHED N#Cc1cccc(NC2CC(c3ccccc3)C2)c1 36840413 GSDGYTRSVDOKGW-UHFFFAOYSA-N 248.329 3.916 30 20 BHED C=CCCC(=O)CSc1ccccc1Cl 85191692 UMLHSTCFEMIYCC-UHFFFAOYSA-N 240.755 3.967 30 20 BHED C=CCCCOc1cc(Cl)ccc1C#N 91841344 BNLCEJOKLDXPLH-UHFFFAOYSA-N 221.687 3.557 30 20 BHED C#CCCCCC(=O)O[C@H](C)c1ccccc1F 120357249 PNKYTOAAOJJOED-GFCCVEGCSA-N 248.297 3.624 30 20 BHED C[C@H](c1ccc(C#N)cc1)N(C)CC1CCCC1 128194769 OMMGLXFCYQSYCK-CYBMUJFWSA-N 242.366 3.741 30 20 BHED C#CCCCCN[C@H](CC)C1CCCCC1 130738184 SDVNJWSIXAWTEO-OAHLLOKOSA-N 221.388 3.738 30 20 BHED CC(C)Oc1ccc(N(C)CCCCC#N)cc1 191581868 WYKOTXLAJSVVKG-UHFFFAOYSA-N 246.354 3.604 30 20 BHED CN(CCCC#N)[C@H]1CCC[C@@H]1c1ccccc1 297452462 HIZZBBAZBLIJJN-CVEARBPZSA-N 242.366 3.558 30 20 BHED C=C(Cl)CN[C@@H]1CCCCC12CCCC2 308876121 BNHXQGBMTBGVOC-GFCCVEGCSA-N 227.779 3.832 30 20 BHED Cc1coc(C)c1/C(O)=N/[C@](C)(C#N)CC(C)C 330470510 MPZTTZOJMWRXRM-AWEZNQCLSA-N 248.326 3.529 30 20 BHED C=CCCS[C@@H](C)c1ccc(C#N)cc1 339090550 KEOMXKOJUIDUPC-NSHDSACASA-N 217.337 3.929 30 20 BHED C=CCCc1nc([C@@H]2CCCC(C)(C)C2)no1 339801741 UIACDDDJMRKCHM-LLVKDONJSA-N 234.343 3.872 30 20 BHED C=C(C)CCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 351761103 WOHFSQKQWNEIEU-AWEZNQCLSA-N 248.326 3.602 30 20 BHED C=C[C@H](C)N[C@@H](C)Cc1ccc(F)cc1Cl 421830995 CGNKIIIBOLXBGY-UWVGGRQHSA-N 241.737 3.574 30 20 BHED CCC(C)(C)CN[C@H](C)c1ccc(C#N)c(F)c1 429437959 QHKABXULKIWUGF-LLVKDONJSA-N 248.345 3.784 30 20 BHED C[C@@H]1CC(C)(C)CC[C@@H]1NCC(C)(C)CC#N 459733522 QDNDEGDZNUGTKU-OLZOCXBDSA-N 236.403 3.731 30 20 BHED CC#CCCOc1ccc(/C=C/C)cc1OC 462367438 LUPORWCGXOIOIW-VMPITWQZSA-N 230.307 3.521 30 20 BHED C=C[C@](C)(CC)c1nc(-c2ccccc2F)no1 516114787 XNCQMRSVPCWSIP-CQSZACIVSA-N 246.285 3.729 30 20 BHED C=CCCC(=O)Nc1nc2ccc(C)cc2s1 522484565 UDGPAHYDGUMIID-UHFFFAOYSA-N 246.335 3.509 30 20 BHED C=CCCCCSC[C@@H]1CCC[C@@H](O)C1 576015649 IUCZMLSWQOTHFN-CHWSQXEVSA-N 228.401 3.627 30 20 BHED C[C@H]1C[C@H](OCCCCCC=O)CC(C)(C)C1 584907159 WYBYVBQJCHKSCH-KBPBESRZSA-N 240.387 3.977 30 20 BHED N#C[C@H](SCC1CCCCC1)C1CC1 601075998 JPPSXMXGECEQAD-LBPRGKRZSA-N 209.358 3.602 30 20 BHED C[C@@H](CCC#N)CN[C@H](C)CC1CCCCC1 602638732 HCAZAKIQBZFTAG-UONOGXRCSA-N 236.403 3.875 30 20 BHED C=CC[C@H](CC)NC(=O)c1c(C)cc(F)cc1C 614396705 PWICPCXSHNIOHT-ZDUSSCGKSA-N 249.329 3.527 30 20 BHED CC(=O)[C@H](C)CCSc1ccc(C#N)c(C)c1 657264204 JRSRXSVIVXWEAP-SNVBAGLBSA-N 247.363 3.574 30 20 BHED C#CCCOc1ccc(-c2ccc(C#N)cc2)cc1 686894678 LUIROAHUXVEQFN-UHFFFAOYSA-N 247.297 3.627 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)CC(C)(C)C#N 695891629 NSRRMCDMENYOLK-OLZOCXBDSA-N 222.376 3.649 30 20 BHED N#CCCCN1CCC(C2CCCCC2)CC1 708762193 DGHUZCKGGGZXBT-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C(=NNC1CCCC1)c1csc2ccccc12 727652717 WHQDZCRYDYTLTJ-UHFFFAOYSA-N 244.363 3.767 30 20 BHED C=C(C)CN(CC)C(=O)C=C1CCC(C)CC1 734100603 LGYKSDORAWBGFL-UHFFFAOYSA-N 235.371 3.548 30 20 BHED FC(F)(F)c1cccc(NN=CC2CC2)c1 755467609 QXRNHYXOBORDHF-UHFFFAOYSA-N 228.217 3.513 30 20 BHED CC(C)(C)CC=NNc1ncnc2sccc12 755589158 NLPHSCABGHVSFT-UHFFFAOYSA-N 248.355 3.525 30 20 BHED CC#CCNC(=O)[C@@](C)(CC)CCCCCC 762706275 WMKGAFYDNOTIOW-HNNXBMFYSA-N 237.387 3.513 30 20 BHED C=CCCCC(=O)O[C@H](C)c1ccccc1C 768185986 KWURGQCJQBRTGH-CYBMUJFWSA-N 232.323 3.956 30 20 BHED COc1ccsc1/C=C/C(=O)c1occc1C 769783591 GYWCERJSESMUNF-ONEGZZNKSA-N 248.303 3.554 30 20 BHED Fc1ccc2oc(C=NOC3CCCC3)cc2c1 774596480 GPNHOPYSKIBUDM-UHFFFAOYSA-N 247.269 3.865 30 20 BHED COc1ccc(NN=C2CCCCCCC2)nc1 780269486 RJEPLRMYYYASKL-UHFFFAOYSA-N 247.342 3.602 30 20 BHED C=CC1CCN(C[C@@H]2CCc3ccccc32)CC1 780287537 RZLJMMRAZRHCEQ-INIZCTEOSA-N 241.378 3.614 30 20 BHED CC[C@H](C)NN=C(C)c1cc2ccccc2o1 790183651 UMVVAGXUHGKOBH-JTQLQIEISA-N 230.311 3.545 30 20 BHED CC(C)(C#N)CCSCCc1cccs1 790565816 GYAJZWZALHKKRR-UHFFFAOYSA-N 239.409 3.964 30 20 BHED C#CC[C@H](N[C@@H]1CCC1(C)C)c1ccccc1 793545853 DCLZWUKZFWYHTO-LSDHHAIUSA-N 227.351 3.529 30 20 BHED CC(CCC1CCCCC1)=NNc1cncnc1 794979522 YDOHXBBRLPLUHX-UHFFFAOYSA-N 246.358 3.625 30 20 BHED COc1ccc(NN=C[C@H](C)C(C)(C)C)cc1 800814772 XSFJBWAQSUPERJ-NSHDSACASA-N 234.343 3.775 30 20 BHED CCCCCCOC(=O)[C@]1(C#N)CC12CCCC2 837909862 YLHBTFNTOGENQD-OAHLLOKOSA-N 249.354 3.584 30 20 BHED CCCCCCSCC1(C#N)CCC1 842181027 VGFMIIBQZHOGCH-UHFFFAOYSA-N 211.374 3.994 30 20 BHED C=CCCC(C)(C)NCc1ccc(Cl)nc1 850417150 MWKVRDRNEVSFGG-UHFFFAOYSA-N 238.762 3.569 30 20 BHED C=C1CCC(C(=O)N[C@@H](C)c2ccsc2)CC1 890439890 CFWLKMJPIGHDBI-NSHDSACASA-N 249.379 3.672 30 20 BHED CCc1ccc([C@@H](C)N[C@H]2CC[C@H](C#N)C2)cc1 1254646542 BHUGOTIGLGWJCK-INWMFGNUSA-N 242.366 3.592 30 20 BHED CC(C)(C)ON=Cc1c(O)ccc2ccccc12 1319804710 QRECMQDPAWYWTG-UHFFFAOYSA-N 243.306 3.694 30 20 BHED C[C@H](CCC#N)CN1CC[C@H](C2CCCCC2)C1 1462415870 XGYWWMLLSLEEQJ-ZBFHGGJFSA-N 248.414 3.828 30 20 BHED CCCC[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 50887649 DUFBAWRUVHPQDK-OLZOCXBDSA-N 230.355 3.788 30 20 BHED CC[C@@H](C)CN(C)c1ccc(C#N)c(Cl)c1 61850838 NIELXUCYSZJAGI-SNVBAGLBSA-N 236.746 3.694 30 20 BHED C=CCCCSCc1noc(C(C)(C)C)n1 117943602 KOKILEGETMGIBW-UHFFFAOYSA-N 240.372 3.567 30 20 BHED CC(C)CN(Cc1ccc(F)c(C#N)c1)C(C)C 176808044 IYPFECWCCSHFCO-UHFFFAOYSA-N 248.345 3.564 30 20 BHED C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)CCC1 190223568 VEALDILFWGTXID-HZSPNIEDSA-N 249.398 3.674 30 20 BHED CC(C)(C)CCOc1cc(F)cc(C#N)c1 227636388 WNWPEQJKGAUPTK-UHFFFAOYSA-N 221.275 3.512 30 20 BHED CCCC[C@@H](C)C(=O)Nc1cccc(CC#N)c1 313514562 KKMDCILARBEFFA-GFCCVEGCSA-N 244.338 3.517 30 20 BHED C=CCC[C@H](CC)NCCc1ccccc1 381304335 JJSDGABTXULCJI-HNNXBMFYSA-N 217.356 3.564 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1ccoc1 381809405 CIEGPVLPTKTZMU-LLVKDONJSA-N 207.317 3.533 30 20 BHED C=CCCCCN[C@@H](C)c1cccs1 389356668 QPNUKXBZDFFZNJ-NSHDSACASA-N 209.358 3.755 30 20 BHED C=CCCCN(C)[C@@H]1C[C@H]1c1cccc(F)c1 411290301 IMWSLCLEAWZLOR-LSDHHAIUSA-N 233.330 3.580 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(C)cc1SC 415880545 GEGOJNYPDLIHAZ-UHFFFAOYSA-N 249.379 3.868 30 20 BHED C=CCOCCCS[C@@H]1CC[C@@H](C)C1 419475671 OJNLZHSCHRPZHJ-VXGBXAGGSA-N 214.374 3.501 30 20 BHED CC(C)=CCC[C@@H](C)Nc1ncccc1C#N 450670906 DRDRSYMLWFQHLY-GFCCVEGCSA-N 229.327 3.500 30 20 BHED C=CCSCCOc1ccc(F)cc1Cl 536670764 GDJNDMUEMVYQPK-UHFFFAOYSA-N 246.734 3.777 30 20 BHED C=CCCCCNc1ccccc1COC 573073991 WRGGMLVKOYXCCC-UHFFFAOYSA-N 219.328 3.601 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C[C@@H]2C=CCCC2)C1 617780226 QTMGMMXMKQCWIH-HUUCEWRRSA-N 247.382 3.548 30 20 BHED N#CCC1(CN2CC[C@H](C3CCCCC3)C2)CC1 708832907 TVYNMESYKJUPEW-HNNXBMFYSA-N 246.398 3.582 30 20 BHED C=C(Cl)COC(=O)c1cccc(C(F)F)c1 729747503 OCEVUDGLQDDEFX-UHFFFAOYSA-N 246.640 3.534 30 20 BHED CC(C)CON=C1CC(C)(c2ccccc2)C1 749636527 ORAWOYGLZSMADW-UHFFFAOYSA-N 231.339 3.767 30 20 BHED CC1(C)CCCCC1=NNc1ccc(F)cn1 757574692 KXBMSZQJKOZNJQ-UHFFFAOYSA-N 235.306 3.589 30 20 BHED C#CCN[C@@H](C)c1ccc(Cl)c2ccccc12 765067659 NSZXNNQZESFPMZ-NSHDSACASA-N 243.737 3.777 30 20 BHED C#CCCCCCC(=O)NC[C@@H]1CCC[C@H](C)C1 779860625 DVFQCZDYOQTFFU-LSDHHAIUSA-N 249.398 3.513 30 20 BHED CCC(C=NN[C@H]1CCCC1(C)C)CC 782300986 NHGUATBNQZETDC-LBPRGKRZSA-N 210.365 3.577 30 20 BHED CCC(=NOCC(C)C)c1cccc(F)c1 783522276 NCSUDDGTVDXVSC-UHFFFAOYSA-N 223.291 3.612 30 20 BHED CC(C)(C)CCNN=C1CCC12CCCC2 788723041 KNBNDNRQICSUJW-UHFFFAOYSA-N 222.376 3.722 30 20 BHED C=C(Cl)CN1CCC=C(c2ccccc2)C1 792933341 IUYHTRFLMLFJCB-UHFFFAOYSA-N 233.742 3.528 30 20 BHED CC[C@@H]1CCC[C@@H](C=NNc2cccc(F)n2)C1 795009538 CPJQQSLUMSWYMM-VXGBXAGGSA-N 249.333 3.835 30 20 BHED COc1ccccc1CON=C(C)CC1CCC1 799118055 VPEFPGURPMQFSK-UHFFFAOYSA-N 247.338 3.778 30 20 BHED CC(CCCCC#N)=NN[C@H]1CCCC1(C)C 841636177 SXYRYOWOCIPUEQ-ZDUSSCGKSA-N 235.375 3.615 30 20 BHED C[C@H]1CCCCN1N=C1CCC(C(F)F)CC1 853381946 PCWXFWUCCWAPBR-VUWPPUDQSA-N 244.329 3.672 30 20 BHED CCCN(C/C=C\Cl)Cc1ccc(C#N)cc1 915680380 GOPTVABSBMMERR-BAQGIRSFSA-N 248.757 3.523 30 20 BHED N#CC1(CCCCN2C[C@@H]3CCCC[C@@H]32)CCC1 930893657 HJSMWEMZEGWMIG-GJZGRUSLSA-N 246.398 3.725 30 20 BHED C#Cc1cccc(N[C@@H](C)[C@H](C)CC)c1 21791879 KPYLHGBJAOETIM-NEPJUHHUSA-N 201.313 3.514 30 20 BHED CC[C@@H](CC#N)N[C@H](C)c1cccc(Cl)c1 38092341 IVPFDOYVXWLSCC-MFKMUULPSA-N 236.746 3.683 30 20 BHED C[C@H](NCc1cc(C#N)cs1)c1ccsc1 86573720 ZXTZYTBEIRXMSO-VIFPVBQESA-N 248.376 3.532 30 20 BHED CC(C)(C#N)CCSc1nc2ccccc2[nH]1 87324157 MLBKXKWRUWBIIZ-UHFFFAOYSA-N 245.351 3.595 30 20 BHED CCCCCCCC(=O)Nc1ccc(O)cc1 102008816 IQLDSDPQPRRNEY-UHFFFAOYSA-N 235.327 3.691 30 20 BHED CC(C)CCN(C)[C@@H](C)c1ccc(C#N)cc1 122867230 AQWVOWDMKISTFD-ZDUSSCGKSA-N 230.355 3.597 30 20 BHED N#Cc1ccc(CN(C2CCCC2)C2CC2)s1 130223461 SLJQPBGVKMIANV-UHFFFAOYSA-N 246.379 3.527 30 20 BHED CC[C@@H]1CCC[C@@H]1Nc1ccc(C#N)cc1 135506410 BDGZZJWQIOVEDW-OCCSQVGLSA-N 214.312 3.549 30 20 BHED CCCCCCCCC(=O)N1CCC[C@@H]1C 173148644 FQKWUKYDEWTZLB-ZDUSSCGKSA-N 225.376 3.748 30 20 BHED N#CCSCCCSc1cccc(F)c1 177598716 OSFRIHVZWOGJDH-UHFFFAOYSA-N 241.356 3.565 30 20 BHED CCC[C@@H]1CCCCN1CCCC(C)(C)C#N 179511515 VDERLADAWNWUJE-CQSZACIVSA-N 236.403 3.971 30 20 BHED C=CC[C@H](C)NC(=O)c1ccc(C(C)C)s1 186247524 QDHCHDGHTGAZLY-JTQLQIEISA-N 237.368 3.566 30 20 BHED C=CCCC(=O)N1CCC[C@H]1c1cccc(C)c1 263771155 FGEWHEONNWPAQW-HNNXBMFYSA-N 243.350 3.625 30 20 BHED C=CCCCN[C@H](C)c1cccc(F)c1F 303520116 MQKMZSRHFJKPLV-SNVBAGLBSA-N 225.282 3.582 30 20 BHED C=CCCCN[C@H](C)c1cc(C)cc(C)c1 303520602 RTGISXDUKQRDHS-CQSZACIVSA-N 217.356 3.920 30 20 BHED C=C(Cl)CN[C@@H]1C[C@@H](C)c2ccccc21 309018241 RZMZDIRAZZOLSL-NOZJJQNGSA-N 221.731 3.577 30 20 BHED N#Cc1cc(Cl)ccc1N[C@@H]1CC[C@H](F)C1 309572071 NHNVHSCEQRKGKM-WDEREUQCSA-N 238.693 3.514 30 20 BHED N#CCc1cccc(NC[C@H]2C[C@H]3CC[C@H]2C3)c1 313449353 OVRIZQUSQUVPOM-SOUVJXGZSA-N 240.350 3.601 30 20 BHED N#Cc1cccc(NCc2ccc3occc3c2)c1 351569985 UBBPBCQARZWDKS-UHFFFAOYSA-N 248.285 3.917 30 20 BHED N#CCCCCSC[C@@H]1C[C@H]2CC[C@H]1C2 359732579 FQAXKWGCAMCDDV-AVGNSLFASA-N 223.385 3.850 30 20 BHED C[C@@H]1CCCC[C@@H]1CNc1ccc(CC#N)cc1 394849615 HDZRRYHPCPFTCP-UKRRQHHQSA-N 242.366 3.991 30 20 BHED N#CC[C@@H]1CCCN([C@@H]2C=CCCCCC2)C1 397810233 ODLXVESYBHAXGP-LSDHHAIUSA-N 232.371 3.501 30 20 BHED N#CCCC1CCN([C@H]2C=CCCCCC2)CC1 399294568 QKCLNFZXDNRJBN-INIZCTEOSA-N 246.398 3.891 30 20 BHED N#CC1(CSC2CCCC2)CCCC1 405106019 GVLNNDUCXLVVEP-UHFFFAOYSA-N 209.358 3.746 30 20 BHED N#Cc1cccc(CSCCC2CC2)c1F 437925903 JJCOXLLOBOGKRO-UHFFFAOYSA-N 235.327 3.731 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](CC)C(F)F 449364190 RIKQQXZOUGYQBM-MNOVXSKESA-N 219.319 3.755 30 20 BHED C=CC(C)(C)C(=O)NC1CCC(C(C)C)CC1 450142862 WQKQRDTWUKGBNH-UHFFFAOYSA-N 237.387 3.530 30 20 BHED C=C1CCN(C(=O)C2(CC)CCCCC2)CC1 461660154 GNLASLXTWNOLIK-UHFFFAOYSA-N 235.371 3.526 30 20 BHED CC1(C)CC(N[C@H]2CC[C@H](C#N)C2)CC(C)(C)C1 471599746 VSSYTLXYHSNVOT-STQMWFEESA-N 248.414 3.873 30 20 BHED C=C(C)CN(Cc1ccccc1)C(C)(C)C 474817895 QCADTWRDPGVHLP-UHFFFAOYSA-N 217.356 3.863 30 20 BHED C=CCCCC(=O)N[C@H](CCC)CCCC 482614344 FXQWCKZTOAHKJF-CYBMUJFWSA-N 225.376 3.818 30 20 BHED C=C1CCN([C@H](C)c2cc(F)ccc2F)CC1 524677217 FKJLCABVIAGHRI-LLVKDONJSA-N 237.293 3.678 30 20 BHED C=CCNC1(c2ccc(F)cc2F)CCCC1 540430325 OKQSSJQQLILEGV-UHFFFAOYSA-N 237.293 3.510 30 20 BHED C=C(C)CN1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 544109685 FOHMWWMDRNPAGC-XJKSGUPXSA-N 245.366 3.654 30 20 BHED CC(C)[C@H]1CCC[C@@H](Nc2cc(C#N)ccn2)C1 553033723 HAEQSZXZOZQSFG-UONOGXRCSA-N 243.354 3.580 30 20 BHED C[C@H](Sc1cccc(F)c1C#N)C(F)(F)F 590596218 BVFYZGNKHRQFFO-LURJTMIESA-N 249.232 3.740 30 20 BHED N#Cc1ccc(CCSCC2CC=CC2)cc1 596383331 CGGDTTRPEOBSKP-UHFFFAOYSA-N 243.375 3.800 30 20 BHED C[C@@H](c1ccc(F)cc1)N(C)C[C@H](C)CCC#N 602431543 SRHXXMHNNUXRGQ-OLZOCXBDSA-N 248.345 3.758 30 20 BHED C=CCCN1CCC[C@@H]1c1cccc(C)c1 606897150 VHUJEBSZVYLGPK-OAHLLOKOSA-N 215.340 3.708 30 20 BHED C=CC(C)(C)C(=O)N1CCC(C2CCCC2)CC1 648999555 DPMYSBQTGFEFGZ-UHFFFAOYSA-N 249.398 3.627 30 20 BHED C=CC[C@H]1CCCN(c2nc3ccccc3o2)C1 664252989 GWTUHKCGBSOYRA-LBPRGKRZSA-N 242.322 3.620 30 20 BHED CCOc1ccccc1N[C@@H](C)CC(C)(C)C#N 695776238 CBVVBRQWABLONW-LBPRGKRZSA-N 246.354 3.826 30 20 BHED C[C@H](C=NNC1CCCC1)CCc1ccccc1 749158594 VBHAGRGPXIXQCZ-AWEZNQCLSA-N 244.382 3.773 30 20 BHED Cc1cc(F)ccc1NN=C[C@@H]1C[C@H]2C=C[C@H]1C2 755813344 DPHBHRXEXBOMDL-AVGNSLFASA-N 244.313 3.744 30 20 BHED CC(CC1CC1)=NNc1cc(C)ccc1C 756824554 UKOHQHSOEMFGPG-UHFFFAOYSA-N 216.328 3.891 30 20 BHED CCC[C@H](C)[C@H](CC)NCc1ccc(C#N)cc1 765015025 MFNBSRWLYMGNRT-BBRMVZONSA-N 244.382 3.863 30 20 BHED C#CCCCNc1ccc(F)cc1OC(C)(C)C 766725809 PNKAKIGDWRIANU-UHFFFAOYSA-N 249.329 3.828 30 20 BHED C#CCCCN[C@@H](c1ccc(F)cc1)C(C)(C)C 766912794 KLXLWCRURQCEFD-HNNXBMFYSA-N 247.357 3.916 30 20 BHED CC1(C)CCCC[C@H]1NN=C/C=C/c1ccco1 773123567 ABDJHQYGTHHQBH-WSSXJBAQSA-N 246.354 3.837 30 20 BHED CC(CCc1ccccc1)=NOC1CCC1 812236094 GUYMQPLMTJIESD-UHFFFAOYSA-N 217.312 3.564 30 20 BHED CC[C@@H]1CCCCC1=NN[C@H](C)c1ccncc1 819816860 QRZPQQQPAILRPU-CHWSQXEVSA-N 245.370 3.688 30 20 BHED C/C(=C/C(C)(C)C)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 839050022 IOABGAFHCNMFDJ-BFMCYROOSA-N 249.354 3.604 30 20 BHED CCCCCCCCC(=O)N(C)CCCF 895287693 ZWQPNCYPBYBEKR-UHFFFAOYSA-N 231.355 3.555 30 20 BHED Cc1ccc(NN=Cc2cc(F)ccc2F)cc1 915936013 MBBKTCNCPGZJGR-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C[C@H](NN=C1CCCC[C@H]1C)c1ccccc1 920385445 CWZXXKAOMSVLJJ-OLZOCXBDSA-N 230.355 3.903 30 20 BHED CC(C)CC[C@H]1CC[C@H](NCC2(C#N)CCC2)C1 1179771722 LXCHLPULROGUFR-GJZGRUSLSA-N 248.414 3.875 30 20 BHED C=CCC[C@H]1CCCN1C(=O)c1ccccc1C 1337681196 WDVTZUWAZIIJAC-AWEZNQCLSA-N 243.350 3.566 30 20 BHED C=C(Cl)CSc1ncc(C)cc1C 1644082783 JHSFTMXOYGGVQQ-UHFFFAOYSA-N 213.733 3.543 30 20 BHED C=C(Cl)CN(C)[C@H]1CCC[C@H]1C(C)(C)C 1654774262 CCPWTACOZUEPGQ-NEPJUHHUSA-N 229.795 3.886 30 20 BHED CC(C)CSCc1cc(C#N)ccc1F 20362249 SSVYUDUJBCKCGS-UHFFFAOYSA-N 223.316 3.587 30 20 BHED CC(C)(C#N)CCSc1nc2ccccc2o1 87324159 BNJNKWCKXWMAKH-UHFFFAOYSA-N 246.335 3.860 30 20 BHED C=C(C)CNCc1c(Cl)cccc1Cl 160310691 VXMTVXAJTOPMSQ-UHFFFAOYSA-N 230.138 3.659 30 20 BHED C=C(Cl)C[S@](=O)[C@@H](C)c1cccc(C)c1 172851297 YVCQZANWKRTQFV-NHYWBVRUSA-N 242.771 3.557 30 20 BHED CC(C)(C#N)CCN(C#N)c1ccccc1Cl 281780488 DQYOJHKPNGUGCL-UHFFFAOYSA-N 247.729 3.567 30 20 BHED CC#CCSCc1ccc(Cl)s1 306237605 IIAQBZATIKYHTB-UHFFFAOYSA-N 216.758 3.658 30 20 BHED C#C[C@@H](CC)N[C@H](C)CCCCCC=C 309069260 ATKGAGZEISTONS-KGLIPLIRSA-N 207.361 3.513 30 20 BHED C=CC[C@H](C)NCc1cccc(CCC)c1 309413941 CFSOTJNADLXOJN-ZDUSSCGKSA-N 217.356 3.693 30 20 BHED C[C@H](S[C@@H]1CCCOC1)c1ccc(C#N)cc1 334188189 GCRQZXFVCOTPCF-SMDDNHRTSA-N 247.363 3.531 30 20 BHED C=CCCC1(C(=O)N2CCC[C@@](C)(CC)C2)CC1 356247426 MXYTVWWPZFIIIT-OAHLLOKOSA-N 249.398 3.772 30 20 BHED C=CCCCCCOc1ccccc1OC 447298785 KSXFVTNWKFQMMG-UHFFFAOYSA-N 220.312 3.820 30 20 BHED CC[C@@H](C)C[C@@H](C)NC1CCC(C)(C#N)CC1 449168148 AHFLJJJHDACQSJ-LMRVLLHPSA-N 236.403 3.873 30 20 BHED C=CC[C@H](CC)NC(=O)N(CC)C(CC)CC 460773698 ZHUDESDFHJAQMY-LBPRGKRZSA-N 240.391 3.561 30 20 BHED C=CCCCCCN(C)c1ccc(Cl)cn1 463060996 MJNSLHCZYXBBTF-UHFFFAOYSA-N 238.762 3.918 30 20 BHED C=CC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 463084138 NJFOICDIGPLJPC-IRXDYDNUSA-N 241.378 3.688 30 20 BHED N#C[C@H]1CCC[C@@H](NCCC2CCCCC2)C1 463291122 YQJDECXWVOUWKM-LSDHHAIUSA-N 234.387 3.629 30 20 BHED C=C(C)CNC1(c2ccc(F)cc2)CCCC1 472248178 AXVOMXRNUFHJGS-UHFFFAOYSA-N 233.330 3.761 30 20 BHED C=C1CCN(CCCC2CCCC2)CC1 483398159 UBLQQQPDDZKCJB-UHFFFAOYSA-N 207.361 3.609 30 20 BHED C=C(C)CCN1CCC[C@@H](Nc2ccccc2)C1 508974360 ALOCIYXUCQHEEH-MRXNPFEDSA-N 244.382 3.529 30 20 BHED C=C1CCN(C/C(C)=C/c2ccccc2)CC1 513444323 TXEIFFFLNKGAKY-NTCAYCPXSA-N 227.351 3.742 30 20 BHED CC(C)(C#N)CCOc1cccc(OC2CC2)c1 596312721 ZCKXRGAMKYRLLW-UHFFFAOYSA-N 245.322 3.546 30 20 BHED C=CCC[C@@H](NCC1CC=CC1)c1ccco1 624076653 AGSGRQMWKIEPQY-CQSZACIVSA-N 231.339 3.843 30 20 BHED C=C[C@@H]1CCCCN1c1nc2cccc(F)c2o1 624164675 BVCLPQHMAWBFQB-SNVBAGLBSA-N 246.285 3.512 30 20 BHED C=CCC1(NCc2ccns2)CCCCC1 639251080 WJKPKTNWMPTVHZ-UHFFFAOYSA-N 236.384 3.512 30 20 BHED CC(C[C@H]1CCOC1)=NNc1cc(C)cc(C)c1 751523248 XQKRSYJHIYVXEN-CQSZACIVSA-N 246.354 3.518 30 20 BHED Fc1ccc(C=NNc2ccccc2)cc1Cl 755462898 WCOKBVARYUUICG-UHFFFAOYSA-N 248.688 3.925 30 20 BHED CC1(C)CCC(C=NNc2ccccn2)CC1 764666883 TUTGNQOPHWRGLG-UHFFFAOYSA-N 231.343 3.696 30 20 BHED C[C@@H]1CCC(=NOC2CCCC2)C[C@H]1C 767385779 MNYDBOVMPPTGHQ-GHMZBOCLSA-N 209.333 3.758 30 20 BHED CC(CCC1CC1)=NOCc1ccccc1 768773755 PWHOMUGDQRKFBR-UHFFFAOYSA-N 217.312 3.769 30 20 BHED C#CCCCN1[C@@H](C)c2ccc(F)cc2C[C@H]1C 769953515 KWDYYMOVHDGVJN-OLZOCXBDSA-N 245.341 3.547 30 20 BHED C#CCCCOc1cc(C)nc2cccc(C)c12 786758715 SQHCRDCRUHHZGF-UHFFFAOYSA-N 239.318 3.644 30 20 BHED C=C(C)CNc1ccccc1N1C[C@H]2CC[C@H]1C2 790340007 KVDLCYHCQGGJPX-KBPBESRZSA-N 242.366 3.663 30 20 BHED C[C@@H]1CN(c2ccc(C#N)cc2)Cc2ccccc21 796450406 NKIKUWKUSAIZHM-CYBMUJFWSA-N 248.329 3.682 30 20 BHED C=CC[C@@H](CC)NC(=S)Nc1cccc(C)c1 798374951 BNQSNZQEOUDFIM-GFCCVEGCSA-N 248.395 3.636 30 20 BHED C=CCCCCCCCNC(=O)C1[C@@H]2CCC[C@@H]12 811589772 FWZCAHYHFFTQAX-ZIAGYGMSSA-N 249.398 3.675 30 20 BHED C[C@H]1C[C@H](C)CCC1=NOC/C=C/Cl 811668478 GRZSIJJKVGHBEN-OYXKVCENSA-N 215.724 3.568 30 20 BHED C[C@H]1SCCC1=NNc1cccc(Cl)c1 814693483 SGAHKLXVIQBGOG-MRVPVSSYSA-N 240.759 3.633 30 20 BHED C#CCCN(C(C)C)[C@@H](C)c1ccsc1 817288301 WVCFFLMVTBIXBU-LBPRGKRZSA-N 221.369 3.543 30 20 BHED CC(C)ON=C1CC(c2cccc(Cl)c2)C1 835000278 LROQKTVLPQJWOH-UHFFFAOYSA-N 237.730 3.998 30 20 BHED CCCCCCCC(=O)Nc1nccn1C1CC1 839932719 KUKUXUAYKKXWIC-UHFFFAOYSA-N 249.358 3.517 30 20 BHED C=CCCCCC[C@H](C)NCc1ccn(CC)n1 840840267 BWDRAJHMFZHREE-AWEZNQCLSA-N 249.402 3.518 30 20 BHED Clc1oc2ccccc2c1CON=CC1CC1 857244006 CGGCRWFULBGSJU-UHFFFAOYSA-N 249.697 3.999 30 20 BHED C=CC(C)(C)c1nc(-c2cccc(Cl)c2)no1 904289442 YXQXSXBEHDJXGM-UHFFFAOYSA-N 248.713 3.854 30 20 BHED Fc1cccc(NN=Cc2ccc(Cl)cc2)c1 920384395 UTOSOXCDURPRKS-UHFFFAOYSA-N 248.688 3.925 30 20 BHED C=CCCCCCCCN[C@@H](C)c1cn(C)cn1 926442862 HTGXYZZFFAMZLJ-AWEZNQCLSA-N 249.402 3.597 30 20 BHED C[C@@H](c1cccc(Cl)c1)N1CCC[C@H](C#N)C1 932157440 IZKRSOACHFYBBI-NWDGAFQWSA-N 248.757 3.637 30 20 BHED C=C(Cl)CN[C@@H]1CCCC[C@@H]1CCC 1193649735 WFJKXAJZZQSCLG-NWDGAFQWSA-N 215.768 3.687 30 20 BHED CCc1cccc(C)c1NN=C[C@H](C#N)C(C)C 1256575970 SQTVGHXQOVGTSL-AWEZNQCLSA-N 243.354 3.751 30 20 BHED CC(C)CNN=C1CC[C@@H]2CCCC[C@@H]2C1 1319757756 CISCYLBWMZIUHV-QWHCGFSZSA-N 222.376 3.578 30 20 BHED Cc1cc(N2C[C@@H](C)c3ccccc32)ncc1C#N 1559218395 YEYOCTHYVZLAGR-GFCCVEGCSA-N 249.317 3.517 30 20 BHED C=C(Cl)CN[C@@H](CC)c1ccc(C)c(F)c1 1616881704 WXPXSSSHUMPTHI-ZDUSSCGKSA-N 241.737 3.927 30 20 BHED Cc1cccc(N(C)Cc2cccc(C#N)c2)c1 49986557 NPQRQZVXRNDQHE-UHFFFAOYSA-N 236.318 3.503 30 20 BHED Cc1ccc(C(=O)/C=C\c2ccc(Cl)nc2)o1 98056290 ADJWMUHVMJPZKM-HYXAFXHYSA-N 247.681 3.533 30 20 BHED C=CCCCN(C)Cc1cc(F)c(F)c(F)c1 128884832 KVXIVEJDWUWMNK-UHFFFAOYSA-N 243.272 3.502 30 20 BHED C=CCC[C@H](C)N[C@@H](C)c1ccc(F)cc1F 135708751 WCVKZTCJOCLLJZ-QWRGUYRKSA-N 239.309 3.970 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CCC[C@H](CCC)C1 188510360 FXZLLPGKYAMTQG-ZFWWWQNUSA-N 237.387 3.627 30 20 BHED C[C@H](CCC(C)(C)C)N[C@H]1CCC[C@@H](C#N)C1 248827560 MDGVOJGRZIEONN-MCIONIFRSA-N 236.403 3.873 30 20 BHED C[C@H](CCC#N)N[C@H](C)C(C)(C)c1ccccc1 276310038 LZWAENOJAKCHGF-ZIAGYGMSSA-N 244.382 3.635 30 20 BHED CCCCCCCc1nc(-c2coc(C)n2)no1 289471063 VQIDVBATNMXZPL-UHFFFAOYSA-N 249.314 3.546 30 20 BHED CCN(CCC#N)[C@H](C)c1cccc(Cl)c1 299428025 UHAZOWNDSMTHGB-LLVKDONJSA-N 236.746 3.637 30 20 BHED C=CC[C@@H](CC)NCc1ccc(SC)s1 308920673 GZVXNMQKULAHTP-SNVBAGLBSA-N 241.425 3.914 30 20 BHED CN(CCC#N)CC1CCC(C(C)(C)C)CC1 346136216 HARNKOOKSDJQIZ-UHFFFAOYSA-N 236.403 3.684 30 20 BHED C=CCCC1(C(=O)N(C)[C@H]2CCC(C)(C)C2)CC1 362188442 HLONYIMCGDLXEL-ZDUSSCGKSA-N 249.398 3.770 30 20 BHED CC#CCCCC(=O)N1CCCC12CCCCC2 376954979 MYNOGJDWZSUQHN-UHFFFAOYSA-N 247.382 3.505 30 20 BHED C=CC[C@H](C)N[C@@H]1C[C@@H](C)CC[C@@H]1CC 380189829 OKHSELKOIGARJS-XDQVBPFNSA-N 209.377 3.755 30 20 BHED C=CC[C@@H](CC)N[C@@H]1CCc2ccc(OC)cc21 393778575 OZYPIQOXTYQOKS-CZUORRHYSA-N 245.366 3.627 30 20 BHED N#CC1(CCN2CCC3(CCC3)C2)CCCCC1 411318777 QVLZMEAWLBERQA-UHFFFAOYSA-N 246.398 3.727 30 20 BHED C=CCN(CC=C)Cc1ccc(Cl)cc1F 437583551 XIKQLMHISZXIOT-UHFFFAOYSA-N 239.721 3.653 30 20 BHED C=C[C@H](C)N[C@@H](C)Cc1coc2ccccc12 449195884 WQXDXOZPBYRPOY-RYUDHWBXSA-N 229.323 3.528 30 20 BHED CC1=CC[C@@H](N[C@H](C)c2cccc(C#N)c2)CC1 585726080 RMCJRZGLDNUCJE-CZUORRHYSA-N 240.350 3.708 30 20 BHED C=CCN(C(=O)[C@@H](C)CCCC)C(C)(C)C 622944721 CCNUXDWAUNLCCZ-LBPRGKRZSA-N 225.376 3.626 30 20 BHED C=C(CC)CN[C@H](C)c1cc2ccncc2s1 658032140 OCBWHGQQYLNYHE-LLVKDONJSA-N 246.379 3.913 30 20 BHED C#CCCCCC(=O)N[C@@H](CC)C1CCCCC1 692854984 XHQBVQLQEMZGGM-HNNXBMFYSA-N 249.398 3.655 30 20 BHED CCCCCCC[C@@H](C)N[C@@H]1CCCC[C@H]1O 710727891 RRZONJNTUDQFID-RBSFLKMASA-N 241.419 3.629 30 20 BHED C=CCCC(=O)N(CC)c1ccc(CC)cc1 726500691 HFZUNRTYWZIZMW-UHFFFAOYSA-N 231.339 3.568 30 20 BHED Cc1ccc(/C=C\C(=O)c2cncs2)c(C)c1 735793424 YNYVESCXLGIDDD-WAYWQWQTSA-N 243.331 3.656 30 20 BHED Oc1ccc(Cl)cc1/C=N\[C@@H]1CC=CCC1 735978506 GSCNQMPKSDTBTD-CDCQXCROSA-N 235.714 3.573 30 20 BHED C#CCN(Cc1ccccc1)[C@H](C)c1ccccc1 746101945 UUBKRFCHPOCODS-MRXNPFEDSA-N 249.357 3.883 30 20 BHED Cc1cc(C=NNc2ccc(F)cc2C)c(C)[nH]1 750945462 HAGUNVYKTHMDJL-UHFFFAOYSA-N 245.301 3.525 30 20 BHED C=CCC(CC=C)C(=O)OCc1cccc(C)c1 759008913 VPLIYGTVFFYLJG-UHFFFAOYSA-N 244.334 3.807 30 20 BHED C[C@@H](NCCCCC#N)c1cc2ccccc2[nH]1 775630348 YZDRFRMRMBWCEL-GFCCVEGCSA-N 241.338 3.512 30 20 BHED CCCCCCCN[C@@H](CC)C1CCOCC1 776029479 ZKMFUNBYWQMFPL-HNNXBMFYSA-N 241.419 3.752 30 20 BHED C=CCN(C)C(=O)[C@@H](CC)CCCCCC 777842928 KUGRODVDERCXDG-ZDUSSCGKSA-N 225.376 3.627 30 20 BHED C=CCCC(=NNC1CCCCC1)C1CC1 786042144 LMVUQJLWOALFOA-UHFFFAOYSA-N 220.360 3.641 30 20 BHED C=CCCN(C)C(=S)Nc1c(C)cccc1C 786082607 JREKURHGJAYTIA-UHFFFAOYSA-N 248.395 3.508 30 20 BHED Cc1cccnc1NN=C1CC[C@H](C)C[C@@H]1C 790193045 PSZVTUUBNRHWTM-JQWIXIFHSA-N 231.343 3.614 30 20 BHED CC(C)=CCCC(C)=NNc1cccc(F)n1 795008477 IBUHDKZUZWGRGB-UHFFFAOYSA-N 235.306 3.755 30 20 BHED C=CC[C@@H](C)C(C)=NOCc1ccccc1OC 799117446 LQYZULVICQDJJN-GFCCVEGCSA-N 247.338 3.800 30 20 BHED CCC(=NNc1ccc(F)cc1C)c1ccco1 814885152 OYLJMTSIPHWFBZ-UHFFFAOYSA-N 246.285 3.953 30 20 BHED CCCCCCCc1nc(-c2ocnc2C)no1 820912536 WHRVDJBMNZKRJT-UHFFFAOYSA-N 249.314 3.546 30 20 BHED CC[C@@H](C#N)OC(=O)C[C@H](C)CCC=C(C)C 830091305 OCGBLCWETRBQNX-OLZOCXBDSA-N 237.343 3.604 30 20 BHED CC[C@H](C)[C@@H](CC)OC(=O)CCCCCC#N 835586301 ACXMYVMHIAPICS-QWHCGFSZSA-N 239.359 3.828 30 20 BHED C=CC[C@@H]1CCCC[C@H]1OC(=O)/C=C/SC 851141863 DZBZUWOGCFIDGS-CZHKVUGUSA-N 240.368 3.541 30 20 BHED CCCOCSc1ccc(C#N)cc1Cl 863314291 DYEKHICOPURVET-UHFFFAOYSA-N 241.743 3.688 30 20 BHED C/C=C\C(=O)NC[C@H](C)CCCCCCC 917872331 IDWMGRUYFSTERB-OMPYUXFZSA-N 225.376 3.675 30 20 BHED CCCCCCCC(=O)NC[C@@H](C)C1CC1 920034724 TULDXHJYBFDAEB-GFCCVEGCSA-N 225.376 3.509 30 20 BHED C[C@@H](CN(C)CC1(CC#N)CC1)C1CCCCC1 1175238473 KHZDJFSIAJMCNS-AWEZNQCLSA-N 248.414 3.828 30 20 BHED C=C(C)CCNC(=O)C(C)(C)CCCCC 1326709352 WGGPZHJGDKKPMT-UHFFFAOYSA-N 225.376 3.675 30 20 BHED N#Cc1cccnc1N[C@H](c1ccccc1)C1CC1 23616857 FEXCAUUVRCTMMH-OAHLLOKOSA-N 249.317 3.516 30 20 BHED CCC(CC)CN[C@@H](C)c1ccc(C#N)cc1 35256393 QVMDRAQKQDZJGU-LBPRGKRZSA-N 230.355 3.645 30 20 BHED CC(C)c1ccc(CN(C)[C@@H](C)CC#N)cc1 58575348 YYHWWXSAUVMVDR-ZDUSSCGKSA-N 230.355 3.544 30 20 BHED CC(C)CCC[C@H](C)Nc1ccnc(C#N)c1 61811975 SYBSUFVKDPEUFE-LBPRGKRZSA-N 231.343 3.580 30 20 BHED CN(CCCC(C)(C)C#N)Cc1ccccc1F 87608522 VJMTYAAVELZMEW-UHFFFAOYSA-N 248.345 3.587 30 20 BHED C#Cc1ccc(-c2ccccc2Cl)cc1 98181110 RUTMLYUEOVNIKC-UHFFFAOYSA-N 212.679 3.988 30 20 BHED CCSc1ccc(Cl)cc1N[C@H](C)C#N 105413216 UFXYCNKAJPFQDL-MRVPVSSYSA-N 240.759 3.776 30 20 BHED C=C(CNC[C@H]1CC=CCC1)c1ccccc1 134363391 KQDOSWCHUQXMDK-HNNXBMFYSA-N 227.351 3.646 30 20 BHED C=CCCS[C@H](C)C(=O)Nc1ccccc1C 151993290 WHSCBMGCHLNUJI-GFCCVEGCSA-N 249.379 3.631 30 20 BHED C=C[C@H](C)N[C@H](C)c1cc2cccc(OC)c2o1 164612635 DMMLFKHAANBNKT-WDEREUQCSA-N 245.322 3.667 30 20 BHED C=CCCN[C@@H](C)c1cc2cccc(OC)c2o1 168685161 GYNJVRYSJIIPMM-NSHDSACASA-N 245.322 3.668 30 20 BHED C=C(C)CS[C@@H](C)c1cccc(C#N)c1 190804524 HNZIYKXJKUPULT-NSHDSACASA-N 217.337 3.929 30 20 BHED C=CCN(Cc1cnc(C)s1)c1ccccc1 191971776 XZTAVVPTAVXJCL-UHFFFAOYSA-N 244.363 3.644 30 20 BHED CCCC[C@H](CC)CNc1cc(C#N)ccn1 233032238 MVLJWSNFCKCLME-LBPRGKRZSA-N 231.343 3.582 30 20 BHED CC[C@H](C)CSCc1cc(C#N)ccc1OC 234016624 ORFFSKISVFSXLY-NSHDSACASA-N 249.379 3.846 30 20 BHED C[C@@H]1C[C@H]2CCCC[C@H]2N1CCCC(C)(C)C#N 245407808 CYILJEQVXVKZEV-RBSFLKMASA-N 248.414 3.969 30 20 BHED Cc1cc(COc2ccc(F)cc2)ccc1C#N 260734947 FECBNDUYAFAVSG-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C[C@@H](CCC#N)N1CCC(c2ccsc2)CC1 299451673 WSJWDGKQLVELEA-LBPRGKRZSA-N 248.395 3.620 30 20 BHED C[C@@H]1CCCC[C@@]1(C=O)C/C=C/Cl 306459263 DSMVETFFUQCFGV-KLIGILKNSA-N 200.709 3.524 30 20 BHED CCCC(CCC)=NOC/C=C/Cl 308376888 SRVLCDXDNJGRCJ-VMPITWQZSA-N 203.713 3.712 30 20 BHED Cc1ccc([C@H]2CCC[C@H]2NCCCC#N)cc1 346823691 HOEKUWCEGYVPRB-HZPDHXFCSA-N 242.366 3.525 30 20 BHED CC(C)(CCC#N)CN1CCC2(CCC2)CC1 368590447 CUUSTECNFJFFBJ-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=C(CC)CN[C@H](CC(F)F)c1ccccc1 421001474 WZPINCUWMSSQPX-CYBMUJFWSA-N 239.309 3.939 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@H]1CCCC[C@@H]1C 424843937 JXTXESBQSKHXSI-QWHCGFSZSA-N 237.387 3.531 30 20 BHED C/C=C/CSCc1cccc(F)c1C#N 427859512 WFCSNTIZQYCVKS-NSCUHMNNSA-N 221.300 3.507 30 20 BHED CCC(CC)[S@](=O)CCCCC(C)(C)C#N 435427890 OYQCYZGMRMDOLZ-MRXNPFEDSA-N 243.416 3.644 30 20 BHED CC[C@@H](F)CN(CC)[C@@H](C)c1ccc(C#N)cc1 440689388 BJKOHAPRMSPBHU-SWLSCSKDSA-N 248.345 3.689 30 20 BHED CC(C)CC1(CN[C@@H]2CC[C@H](C#N)C2)CCCC1 442783157 PKJRUHYKTHZAMX-LSDHHAIUSA-N 248.414 3.875 30 20 BHED C=CCCCC[C@@H](C)NCCC1(OC)CCC1 449341641 VGCYDHRMOMWWFS-CQSZACIVSA-N 239.403 3.670 30 20 BHED C=CCC[C@@H](CCC)N[C@@H](C)Cc1ccncc1 462115474 GSXQPFCOMRUAAE-GOEBONIOSA-N 246.398 3.737 30 20 BHED CC#CCCSCc1ccc(F)c(F)c1 462376024 HETLKPLGDLRNHE-UHFFFAOYSA-N 226.291 3.611 30 20 BHED C=CCCN1CCC[C@@H](C(C)(C)C)CC1 525328485 ANLYJZBSFGUPBX-CYBMUJFWSA-N 209.377 3.711 30 20 BHED C=C(CC)CSc1nc(C)cc(C)c1C#N 538009791 JEYNZZQGNPXCMQ-UHFFFAOYSA-N 232.352 3.628 30 20 BHED CC#CCOc1ccc(-c2csc(C)n2)cc1 539742553 UIKOZTOIWLFJGL-UHFFFAOYSA-N 243.331 3.521 30 20 BHED C=CCCCCOc1ccccc1C(C)=O 563678641 NESPKZPURAIRGS-UHFFFAOYSA-N 218.296 3.624 30 20 BHED C[C@@H](CCC#N)CNc1cccc2ccncc12 602587613 IISDYUGARRCKKX-LBPRGKRZSA-N 239.322 3.587 30 20 BHED C=CCSCCOc1ccc(Cl)cc1 609633945 LTISQBZDBDMKTO-UHFFFAOYSA-N 228.744 3.638 30 20 BHED C=CCC(CC=C)c1nc(C2CCC2)no1 680696187 XVIWUHIEQCBZTF-UHFFFAOYSA-N 218.300 3.573 30 20 BHED C#CCCS[C@H](C)c1ccccc1OC 751786293 ZUENJXNQCHJDGP-LLVKDONJSA-N 220.337 3.513 30 20 BHED CCCC[C@@H]1CCCC1=NOCC(F)F 758906186 BWLMDXHPSOPPAM-SECBINFHSA-N 219.275 3.614 30 20 BHED CC(CCCC(C)C)=NNc1nc(C)cc(C)n1 764639111 DHCOIXSDQNXHFN-UHFFFAOYSA-N 248.374 3.708 30 20 BHED CC(=NNc1cccc(F)c1)c1occc1C 767780840 XDMNEMGMQFHSNW-UHFFFAOYSA-N 232.258 3.563 30 20 BHED N#C[C@H](OC(=O)CCC1CCC1)C1CCCCC1 776393259 DJJGYIVACRXPQK-AWEZNQCLSA-N 249.354 3.582 30 20 BHED Cc1ccnc(NN=C[C@H]2CCCC[C@@H]2C)c1 783856074 WNUXFRCNRZHTGZ-QWHCGFSZSA-N 231.343 3.614 30 20 BHED N#CCCCCCC(=O)OCC1CCCCC1 805695445 VXUSRLBYTFLOBJ-UHFFFAOYSA-N 237.343 3.584 30 20 BHED CC(=NNc1ccccc1)c1ccc(C)nc1C 814684485 VOAXXDFJGNZVIZ-UHFFFAOYSA-N 239.322 3.535 30 20 BHED CC/C=C\CCOC(=O)CC1(C#N)CCCCC1 849907059 QUBHJVGBRADJIN-ARJAWSKDSA-N 249.354 3.750 30 20 BHED CCCCN(CCCC)Cc1ccccc1C#N 20360953 HYZLRIGOTHZILM-UHFFFAOYSA-N 244.382 3.960 30 20 BHED CC(C)(C)SCCCOc1ccc(C#N)cc1 37143706 RZNVFIOFVCYIRX-UHFFFAOYSA-N 249.379 3.859 30 20 BHED CCCN(CC#N)Cc1cccc2ccccc12 44373581 DWXMYNUPPDODFK-UHFFFAOYSA-N 238.334 3.575 30 20 BHED C[C@H](CC#N)N(C)Cc1cccc2ccccc12 58575453 ULMLPHUTODRBES-CYBMUJFWSA-N 238.334 3.574 30 20 BHED CC[C@@H]1CCCN(c2cc(Cl)ccc2C#N)C1 62789927 LLQINHAZAVYKJH-LLVKDONJSA-N 248.757 3.838 30 20 BHED C=C(C)COc1cccc(NC(=O)CCCC)c1 66463655 SBTMXORPSCKXAZ-UHFFFAOYSA-N 247.338 3.770 30 20 BHED C=CCN1CCC[C@H]1c1nc2ccccc2s1 72802766 WGTULNKBRFTAEI-LBPRGKRZSA-N 244.363 3.619 30 20 BHED C=C(C)[C@H](NCCC)c1ccc(F)c(F)c1 86026061 YGOBRIBQYFTTHL-ZDUSSCGKSA-N 225.282 3.582 30 20 BHED CC(=O)c1cccc(OCCCC(C)(C)C#N)c1 87598915 APZLAXOUJFAFEY-UHFFFAOYSA-N 245.322 3.598 30 20 BHED N#CCC1(COc2ccc3c(c2)CCCC3)CC1 88272166 QZZWKWSXMYKGTJ-UHFFFAOYSA-N 241.334 3.638 30 20 BHED C=CCOC(=O)c1ccccc1SC(C)C 96998771 ZNTNQIRTBPQKAX-UHFFFAOYSA-N 236.336 3.530 30 20 BHED C=CCCC(=O)N1CCCC[C@H]1CCC(C)C 128170441 CFFPRAUIYQRYEN-AWEZNQCLSA-N 237.387 3.770 30 20 BHED C=CCC[C@@H](C)N[C@@H]1CCCC(C)(C)C1 132040246 CAKOMFQPDPWSDG-CHWSQXEVSA-N 209.377 3.900 30 20 BHED C=CCC(CC=C)C(=O)OCc1ccsc1 151611394 SGKVUPJJBRWKOK-UHFFFAOYSA-N 236.336 3.560 30 20 BHED C=CC[C@H](C)N[C@H]1CCc2c(F)cc(F)cc21 154703004 YLGJJRRPQZOYIA-XPTSAGLGSA-N 237.293 3.506 30 20 BHED C=CCCCCCN(C)C(=O)c1cccc(F)c1 156779139 TZKFPVIAIXMLNI-UHFFFAOYSA-N 249.329 3.644 30 20 BHED C=CCCN[C@H]1CCSc2c(F)cccc21 168530189 UVYBLVVJVWTDNZ-LBPRGKRZSA-N 237.343 3.528 30 20 BHED C=CC[C@H](C)NC(=O)[C@H](C)CCCCCC 173800756 VUZCQOFXZDTIGG-OLZOCXBDSA-N 225.376 3.674 30 20 BHED C=CCC[C@H](C)NC1(c2ccccc2F)CC1 186322787 ILFHGHSFRLDXBC-LBPRGKRZSA-N 233.330 3.759 30 20 BHED C=CCN(Cc1nc(C)cs1)c1ccccc1 191972156 RYQGFCGVMDRCLO-UHFFFAOYSA-N 244.363 3.644 30 20 BHED C=CCCCCCNC(C)(C)c1nccs1 193429048 HHYNKRQTUJKMBU-UHFFFAOYSA-N 238.400 3.714 30 20 BHED CC(C)c1ccc([C@H](C)N(C)C[C@H](C)C#N)cc1 260084839 QGNBIOOPCWIUMR-KGLIPLIRSA-N 244.382 3.962 30 20 BHED C=CCCCC(=O)Nc1ccccc1NCCC 276796149 KDZVOXYBFIBCTH-UHFFFAOYSA-N 246.354 3.803 30 20 BHED C=C[C@@H](C)Nc1nc(-c2ccccc2)cs1 301596637 GIZZIQZQHDTQEQ-SNVBAGLBSA-N 230.336 3.797 30 20 BHED CC(C)[C@H]1CCCCN1Cc1ccccc1C#N 303717625 VOLNSCRZSXXSOH-MRXNPFEDSA-N 242.366 3.569 30 20 BHED CC(C)C[C@@H](C)COc1cccc(F)c1C#N 304175091 NAZCOASWWRJUQO-LLVKDONJSA-N 235.302 3.758 30 20 BHED C[C@@H]1CCCC[C@]1(C)NCc1ccc(C#N)s1 308714179 NCKNWFBPPRAKOF-RISCZKNCSA-N 248.395 3.678 30 20 BHED C=CCCCC[C@H](C)N[C@H](CC)C1CC1 309185757 OSOPQXHWGZSDES-GXTWGEPZSA-N 209.377 3.900 30 20 BHED C#Cc1cccc(N[C@@H](C)[C@@H](C)CC=C)c1 309513101 XXFSFFNAHMRPID-STQMWFEESA-N 213.324 3.681 30 20 BHED C=CCCCCNCc1cccc2cc[nH]c12 310075473 GELJWJATQDJUFB-UHFFFAOYSA-N 228.339 3.614 30 20 BHED C=CCCCNc1ccc(OCC)cc1C 390524609 GGRKTQFHWVMKLC-UHFFFAOYSA-N 219.328 3.772 30 20 BHED C=CCC(C)(C)c1nc(-c2ccccc2)no1 426335312 OTTHVDDLRAJDNY-UHFFFAOYSA-N 228.295 3.590 30 20 BHED Cc1cc(CSCC(C)C)ccc1C#N 447289429 ZKXPKJCHFHIFGY-UHFFFAOYSA-N 219.353 3.756 30 20 BHED CC(C)[C@H]1CN(CC2(C#N)CC2)c2ccccc21 447402348 IHRYMIQNSXFTHQ-CQSZACIVSA-N 240.350 3.550 30 20 BHED C=C(C)CCNC(=O)CC[C@H](C)c1ccccc1 452719048 RWQRTMJXORKCDA-AWEZNQCLSA-N 245.366 3.653 30 20 BHED CC[C@@H](C)C[C@@H](CC)NCC(C)(C)CC#N 459736251 UIYSNWUXTYWEFK-CHWSQXEVSA-N 224.392 3.731 30 20 BHED C[C@@H]1CC[C@@H](C)N1CC#Cc1ccc(Cl)cc1 466656431 AXHUNPPLNYLPIQ-CHWSQXEVSA-N 247.769 3.564 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@@H](C)C(CC)CC 488817437 OWGHQDLNXMPSRP-JSGCOSHPSA-N 237.387 3.626 30 20 BHED C=C(C)CN(C1CC1)[C@@H]1CCc2ccccc21 505911354 CCYATNOIXNOMJQ-MRXNPFEDSA-N 227.351 3.714 30 20 BHED C[C@H]1CCC[C@H](CCN2CCC(CC#N)CC2)C1 543810165 FSCWRRDWPHLHED-GOEBONIOSA-N 248.414 3.828 30 20 BHED C=C[C@](C)(CC)c1nc(-c2cccc(C)c2)no1 581691715 LXCOKAANGNDQEZ-OAHLLOKOSA-N 242.322 3.899 30 20 BHED CC(C)CN(CC(C)C)C[C@H](C)CCC#N 602427983 MGRMMQXJYXYECX-CQSZACIVSA-N 224.392 3.540 30 20 BHED C=CCCC(C)(C)NC(=O)c1ccccc1CC 620857852 LQQOQFHXIUEIPE-UHFFFAOYSA-N 245.366 3.724 30 20 BHED C=C(C)c1ccc(-c2nc(C(C)C)no2)cc1 649444465 VUHGUQNYYUFZAD-UHFFFAOYSA-N 228.295 3.893 30 20 BHED C#Cc1cccc(Nc2nc(CC)c(C)s2)c1 727462297 CKGQFIGTDCDDOK-UHFFFAOYSA-N 242.347 3.739 30 20 BHED CCC(=NNc1ccccc1CC)C1CC1 741163584 VAEQGJIJMAJLAR-UHFFFAOYSA-N 216.328 3.837 30 20 BHED C[C@@H]1C[C@@H]1C=NNc1ccc(C(F)(F)F)cc1 746576059 KQFHPMAEEHVMMC-RKDXNWHRSA-N 242.244 3.759 30 20 BHED C=CCCCC(=O)O[C@@H](C)c1cccc(C#N)c1 749029179 NINZVXNCRFTPAX-LBPRGKRZSA-N 243.306 3.519 30 20 BHED C#CCCCN(C1CC1)[C@H]1CCc2ccccc21 766913380 PMVSARWWXKFCFX-KRWDZBQOSA-N 239.362 3.552 30 20 BHED CC#CCCNC(=O)[C@@H](CC)CCCCCC 779376502 OTTQBNKWAXUGMB-AWEZNQCLSA-N 237.387 3.513 30 20 BHED C/C=C(/CC)C(=O)Nc1sc(C)c(C)c1C#N 789603463 DSQFBNJZSMMOME-YHYXMXQVSA-N 248.351 3.531 30 20 BHED CC(CCc1ccccc1F)=NOCCC1CC1 814244971 GSOFAWCANDBKDI-UHFFFAOYSA-N 249.329 3.951 30 20 BHED CCC(CC)(CC)SCCOCCC#N 814760818 HMBQJTLXGYDQRH-UHFFFAOYSA-N 229.389 3.619 30 20 BHED c1cc2sccc2c(NN=C2CC3(CC3)C2)n1 814809228 SDIQANAIBXVUKE-UHFFFAOYSA-N 243.335 3.638 30 20 BHED CC(C)(C)SCCS[C@H]1CC[C@@H](C#N)C1 829506402 UTSWVTNVMFGKAT-MNOVXSKESA-N 243.441 3.944 30 20 BHED C[C@H](CC(C)(C)C#N)OC(=O)[C@]1(C)CC=CCC1 851206182 PCWPLOVBPRHJHU-IUODEOHRSA-N 249.354 3.604 30 20 BHED CCC/C(C)=C\C(=O)O[C@H](C)CC(C)(C)C#N 851210887 VWRCQLNWQNYCHG-NXIHDVOMSA-N 237.343 3.604 30 20 BHED C=CC(C)(C)CC(=O)N1C[C@@H](C)CCC[C@H]1C 878956212 ICMJYYXJBGWNGC-QWHCGFSZSA-N 237.387 3.626 30 20 BHED C#CCCCSCc1coc(C(C)(C)C)n1 901776255 QWFTVUNLNVNRKD-UHFFFAOYSA-N 237.368 3.619 30 20 BHED CCCCNN=C(C)c1cc2ccccc2o1 915966271 OCAVFDJQYBLMMR-UHFFFAOYSA-N 230.311 3.547 30 20 BHED C=CCCN[C@H](C)c1cc(-c2ccccc2)no1 926684645 HODWEOZOSGLAGO-GFCCVEGCSA-N 242.322 3.568 30 20 BHED C=C(C)CCC(=O)Nc1ccc(C)cc1OCC 1338800314 XTJRGBOPHUPPMP-UHFFFAOYSA-N 247.338 3.689 30 20 BHED O=C(/C=C/C=C\c1ccccc1)c1ccncc1 33391116 NIKAUDXSENSZCT-MVTUOISNSA-N 235.286 3.534 30 20 BHED CC(C)C[C@H](C)N[C@H](C)c1cccc(C#N)c1 37255937 ORWCYBCINBIRAI-QWHCGFSZSA-N 230.355 3.643 30 20 BHED C=C(Cl)CSc1ncccc1Cl 43895709 LVXWPHKHNJTDTP-UHFFFAOYSA-N 220.124 3.580 30 20 BHED Cc1ccc(N(C)Cc2cccc(C#N)c2)cc1 50003998 FTOCIZLEKQBXRT-UHFFFAOYSA-N 236.318 3.503 30 20 BHED C=C(C)CN(C)[C@@H](C)c1cccc(Cl)c1 52162184 RYAOHJMBLJPNEN-NSHDSACASA-N 223.747 3.909 30 20 BHED C=CCN(C)[C@H](C)c1ccccc1Cl 52162856 NBIYUAVZNIBIRI-SNVBAGLBSA-N 209.720 3.519 30 20 BHED C=CCN(CC=C)Cc1cccc(Cl)c1 58337443 AHGXZVHBSPKNRR-UHFFFAOYSA-N 221.731 3.514 30 20 BHED Cc1cccnc1CSc1cccc(C#N)c1 92856492 LUFFKGKAIYOQDG-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=CC[C@H](C)NCc1cccc(OC(C)C)c1 116926515 FHPFZENKJDFRMN-ZDUSSCGKSA-N 233.355 3.528 30 20 BHED C=CCCCNC(C)(C)CCc1ccccc1 123149765 LDDSNMLJTYVRPZ-UHFFFAOYSA-N 231.383 3.954 30 20 BHED C=C[C@@H](C)NCc1ccc2cc(OC)ccc2c1 123180333 FBSMXAIWVXNBHL-GFCCVEGCSA-N 241.334 3.513 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 132683801 AIXMDOZTUZMCMG-OLZOCXBDSA-N 233.355 3.699 30 20 BHED C=C(C)CN(CC)C(=O)C1CCC(C)(C)CC1 156528827 CBOUTFFHWYIYRA-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=C(C)CCOc1ccc(C#N)c(Cl)c1 164263875 CLKIVSPQXOSXOE-UHFFFAOYSA-N 221.687 3.557 30 20 BHED C=CCC1(C(=O)Nc2ccc(C)cc2)CCC1 190267304 FXNWUKQKWTVDLB-UHFFFAOYSA-N 229.323 3.680 30 20 BHED CCc1ccc(Nc2ccc(C#N)cn2)cc1C 305467046 CDJVGFKNOGZZLT-UHFFFAOYSA-N 237.306 3.568 30 20 BHED C#CCCCNC[C@@H](C)CC1CCCCC1 309506064 VWOIKSJMSGPKPS-AWEZNQCLSA-N 221.388 3.596 30 20 BHED C=CCC[C@H](N[C@H]1CCC(C)(C)C1)C1CC1 309830530 YKOGAAJNWGMFIK-KBPBESRZSA-N 221.388 3.900 30 20 BHED C=CC[C@@H](CC)Nc1ncccc1Cl 336644970 BDIOPKYWLCGYTG-SECBINFHSA-N 210.708 3.502 30 20 BHED C=C(C)CCNc1ccc2nc(C)sc2c1 336667394 MFCRKVYAIQGHAZ-UHFFFAOYSA-N 232.352 3.983 30 20 BHED C=C[C@@H](C)N[C@@H]1CC2(CCC2)Oc2ccccc21 358317657 LDYUWIMGGCBSMI-TZMCWYRMSA-N 243.350 3.597 30 20 BHED C=CCCC1(C(=O)N2CCC[C@@H]3CCC[C@H]32)CC1 361730838 CSSNBRLVHXNXKJ-UONOGXRCSA-N 247.382 3.524 30 20 BHED C=CC[C@H](C)N[C@@H]1C[C@@H](C)CC[C@H]1CC 380189824 OKHSELKOIGARJS-IGQOVBAYSA-N 209.377 3.755 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(C)cc1C 381298608 HKPSTEUADZSQHM-AWEZNQCLSA-N 217.356 3.920 30 20 BHED C[C@H](SCCC#N)c1ncc(C(C)(C)C)o1 413014068 PSYBLHOJKYIBKG-VIFPVBQESA-N 238.356 3.680 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[C@@H]1CC 424871052 VYRPPTCNFXHRCF-QWHCGFSZSA-N 237.387 3.531 30 20 BHED C=CC[C@@H](CC)Nc1ncc(Cl)c(C)c1C#N 440641100 YSUXMYIUPOKWHZ-SNVBAGLBSA-N 249.745 3.682 30 20 BHED C=CCC[C@H](CC)N[C@@H](C)Cc1cccc(O)c1 462113176 RBPLQDDPCBQXEO-ZFWWWQNUSA-N 247.382 3.658 30 20 BHED CC#CCS[C@@H](C)c1ccccc1OC 463199943 RDLNUDNXSCNTEL-NSHDSACASA-N 220.337 3.513 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 467920000 QVISJXORYPSAMO-RGCMKSIDSA-N 237.387 3.530 30 20 BHED COc1ccc(C#N)cc1N[C@@H](C)CCC1CC1 470296877 GKQZKUVWNQDHID-NSHDSACASA-N 244.338 3.557 30 20 BHED C=CCCCNc1cccc2c1OCC[C@@H]2OC 516240680 UGIHBAFMXYGTQV-AWEZNQCLSA-N 247.338 3.535 30 20 BHED C=C(CC)CNc1ccc(F)cc1OC(F)F 539095302 WCUAZHPXNYNJLB-UHFFFAOYSA-N 245.244 3.805 30 20 BHED CC[C@H]1CCC[C@H](CN2CCC(CC#N)CC2)C1 542486938 WFNSAEJHFXKUFU-HOCLYGCPSA-N 248.414 3.828 30 20 BHED CC#CCCN1CC(C)(C)[C@@H]1c1cccs1 558185852 XVSHOAFKVAUUTP-ZDUSSCGKSA-N 233.380 3.544 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@@H]1CCC(C)=C(C)C1 566562490 OEBFVPKJMYJJBY-ZIAGYGMSSA-N 235.371 3.594 30 20 BHED CC[C@@H]1CCC[C@H](CN2CCC[C@H](CC#N)C2)C1 597176709 JJDRNQPGDNTPLY-OAGGEKHMSA-N 248.414 3.828 30 20 BHED CCC(CC)NN=Cc1ccc([C@@H]2C[C@@H]2C)o1 734364866 IWQZGNAKHMBLNN-GXFFZTMASA-N 234.343 3.515 30 20 BHED CC(C)=CCC[C@H](C)CC=NNc1cccnn1 735977002 ORKPSWSJPXXLSG-ZDUSSCGKSA-N 246.358 3.647 30 20 BHED C=C(C)CCOC(=O)[C@@H](CC)CCCC 744303122 MNMPSUGQNGDKQP-LBPRGKRZSA-N 212.333 3.712 30 20 BHED CCCC(=NO[C@@H]1CCCCO1)c1ccccc1 755822646 LSBZGTCXWIURRA-OAHLLOKOSA-N 247.338 3.734 30 20 BHED CCCCNc1ccc(OC(C)C)c(C#N)c1 771880963 NWTUQNSTHMKVTN-UHFFFAOYSA-N 232.327 3.557 30 20 BHED C[C@@H]1CCCC1=NNc1ccc(C#N)c(Cl)c1 783880811 NQCVZNPNAMVJNJ-SECBINFHSA-N 247.729 3.800 30 20 BHED CCC(=NNc1nccnc1C1CCC1)C(C)C 807994284 OZXJDPAMKQMBMC-UHFFFAOYSA-N 246.358 3.578 30 20 BHED Fc1ccccc1NN=C/C=C\c1ccccc1 812458520 DWYOENLLZVHHMN-FUMQGXJOSA-N 240.281 3.937 30 20 BHED C[C@@H]1CCCC[C@@H]1C=NOCCC1CC1 814246094 SLUZGAJYUJYORG-DGCLKSJQSA-N 209.333 3.615 30 20 BHED CCC(=NNc1ccc(Cl)nc1)c1ccco1 814859463 VUOBKHSYIFWNEB-UHFFFAOYSA-N 249.701 3.554 30 20 BHED C1CCC(NN=C2CCCC23CCC3)CC1 834973561 XRVIUAFWWVZCIM-UHFFFAOYSA-N 220.360 3.619 30 20 BHED C[C@@H]1CC=C(C(=O)O[C@H](C)CC(C)(C)C#N)CC1 851206588 VAXIEWOBZAONAJ-VXGBXAGGSA-N 249.354 3.604 30 20 BHED C[C@H](CC(C)(C)C#N)OC(=O)/C=C\C1CCCC1 851206875 XFZONEVENKOXQG-JLVNDZCYSA-N 249.354 3.604 30 20 BHED CCC(CC)=NNc1ccccc1CC 915051886 XHTVINWRKPJVBX-UHFFFAOYSA-N 204.317 3.837 30 20 BHED C=C(Cl)COc1cccc(C(F)(F)F)c1 916609440 IJFCHCREUUJKDS-UHFFFAOYSA-N 236.620 3.837 30 20 BHED C=CCN(C/C=C\Cl)Cc1ccccc1F 917993874 HNGSRBHCYHSYJH-YVMONPNESA-N 239.721 3.566 30 20 BHED C=CCCC(CC)=NNCc1ccc(F)cc1 1116291597 RPMPBAPIBJLZJJ-UHFFFAOYSA-N 234.318 3.648 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)[C@H](C)C1CCCC1 1339278232 APAMCZILOTXYQK-UKRRQHHQSA-N 249.398 3.770 30 20 BHED CCCC[C@H](CC)NCc1cccc(C#N)c1 69376922 AFRPBEMHDAOZEX-HNNXBMFYSA-N 230.355 3.617 30 20 BHED CC[C@H]1CCC[C@@H](Nc2cccc(C#N)c2)C1 71105732 JQXIWYCVGFMXTP-GXTWGEPZSA-N 228.339 3.939 30 20 BHED CC1(C)CCCC[C@@H]1Nc1cccc(C#N)c1 94274070 LVXHQQGUNJHTPM-AWEZNQCLSA-N 228.339 3.939 30 20 BHED C=CC[C@@H](C)NCc1cc(Cl)ccc1F 119260286 PKCGHBCSRMGIEU-SECBINFHSA-N 227.710 3.533 30 20 BHED C=C(C)CCN[C@@H]1CCCc2sccc21 168984921 XRWGEGDIWKWJFF-GFCCVEGCSA-N 221.369 3.681 30 20 BHED C=CC[C@H](C)N[C@@H]1CCCOc2cc(C)ccc21 180951948 OBYXJRYSUICDSJ-DZGCQCFKSA-N 245.366 3.763 30 20 BHED Cc1occc1SCc1ccc(F)cc1C#N 181282118 OBNVINGXAOJHPH-UHFFFAOYSA-N 247.294 3.891 30 20 BHED CC(C)C1CCC(N[C@@H]2CCC[C@H](C#N)C2)CC1 185862199 VRLNLWWGTQYLCV-SLTXQBBLSA-N 248.414 3.873 30 20 BHED C#CCCCNC(=O)[C@](C)(CC)CCCCC 187523105 MYDYMILQSZFHOC-OAHLLOKOSA-N 237.387 3.513 30 20 BHED C[C@@H]1CC(C)(C)C[C@@H]1Nc1cccc(C#N)c1 235243700 GZNTVFWPPIHMLR-RISCZKNCSA-N 228.339 3.795 30 20 BHED C[C@@H](CCC#N)N1CCC[C@@H]1c1cccs1 276351362 WNDBXZIEYGJGKM-NWDGAFQWSA-N 234.368 3.577 30 20 BHED C=CC[C@@H](CC)NCc1cccc2[nH]ccc12 281386512 OTHCLQZIWYILPN-CYBMUJFWSA-N 228.339 3.612 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)CCc1ccco1 281618437 NMUISEVXIMODFU-QWHCGFSZSA-N 221.344 3.545 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1c(C)cc(C)cc1O 294642501 GIZFYOCDYCWAAE-OLZOCXBDSA-N 233.355 3.624 30 20 BHED C=C[C@H](C)Nc1cc(C)nc2c(F)cccc12 301697303 ZLYGHFARCIDMEO-VIFPVBQESA-N 230.286 3.669 30 20 BHED N#Cc1cccc(Cl)c1NC1CCCCC1 309504206 MMCNEFUFJPSRAI-UHFFFAOYSA-N 234.730 3.956 30 20 BHED C=CCC(C)(C)CN[C@H]1CCCC[C@H]1C 310169900 PEVDEPXDNCZOJE-OLZOCXBDSA-N 209.377 3.757 30 20 BHED Cc1cc(S[C@@H]2CC[C@H](C#N)C2)ccc1C#N 335468788 DAQKDOIYYZPZIN-SMDDNHRTSA-N 242.347 3.651 30 20 BHED C=CCCN[C@@H](CC(C)C)c1ccccc1OC 338566182 GDLHYUDRSQKWTE-HNNXBMFYSA-N 247.382 3.948 30 20 BHED C=C(C)CCN(Cc1cccs1)C1CC1 352112215 AVVWPNGVKXUWEO-UHFFFAOYSA-N 221.369 3.679 30 20 BHED CCCCCSc1ccc(C#N)c(C)n1 379970648 PHNVDERKUZAPKG-UHFFFAOYSA-N 220.341 3.544 30 20 BHED CC(C)(C)CCCN1CCC(CCC#N)CC1 399793694 YOVHWBCBMXOZAO-UHFFFAOYSA-N 236.403 3.828 30 20 BHED CC(C)(CCC#N)CNC[C@@H]1C[C@H]2C=C[C@H]1CC2 402575793 RBYPKGNMRGCJAO-KKUMJFAQSA-N 246.398 3.508 30 20 BHED C=CC[C@@H](CC)NC[C@@H]1C[C@H]1c1ccccc1 418050749 WYBLDJCIVIBFHO-XHSDSOJGSA-N 229.367 3.734 30 20 BHED C[C@@H](CC1CCCC1)NCc1ccc(C#N)s1 421347813 DGFHXXHKWAUXQG-NSHDSACASA-N 248.395 3.678 30 20 BHED C=CCCC[C@H](C)NC(=O)C1(CC(C)C)CC1 441287133 IWWRZBZXRINWOT-ZDUSSCGKSA-N 237.387 3.674 30 20 BHED C=CCN(CC=C)C(=O)C1(CC=C)CCCCC1 448567490 YGFFGOHBAOSYAD-UHFFFAOYSA-N 247.382 3.714 30 20 BHED C=CC(C)(C)C(=O)NCC(CC)(CC)CC 450118615 WBMKSJMFXXEYPY-UHFFFAOYSA-N 225.376 3.531 30 20 BHED C=CCOCCCOc1ccc(C(C)C)cc1 478766455 DBMQAFWAMWYRKL-UHFFFAOYSA-N 234.339 3.782 30 20 BHED C=CCC1(C(=O)N[C@@H]2CCC[C@@H](C)CC2)CCC1 480511445 UCQRRXKGPALHNZ-ZIAGYGMSSA-N 249.398 3.818 30 20 BHED C=CCCCN(C)Cc1cc(Cl)cs1 494928234 DBRFGYVONIHTNC-UHFFFAOYSA-N 229.776 3.800 30 20 BHED CCC[C@H](NCC1(C#N)CC1)C1CCCCC1 539491930 XAQIMZUPMRDBLE-AWEZNQCLSA-N 234.387 3.629 30 20 BHED C=CCCCSCCc1ccc(OC)cc1 554757328 KEXORHQPBBEONM-UHFFFAOYSA-N 236.380 3.937 30 20 BHED C=CCCOc1ccc(Oc2ccccc2)nc1 555407713 LLYZEOBPZCGXSE-UHFFFAOYSA-N 241.290 3.829 30 20 BHED C[C@H](CCC#N)CN1CCC[C@H]1c1ccccc1 602434187 NQNYDSFIZFBKJM-ZBFHGGJFSA-N 242.366 3.763 30 20 BHED C=CCC1(NCCCCCF)CCCCC1 625934579 SNVPMVNNQWHSDW-UHFFFAOYSA-N 227.367 3.995 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1csc(C)c1 634423626 UURFYMMIZDXCNE-UHFFFAOYSA-N 223.341 3.597 30 20 BHED CC#CCCN1CC[C@@H]1c1ccc(Cl)cc1 680884628 MLIOXBBFTBJLSV-CQSZACIVSA-N 233.742 3.500 30 20 BHED C#CCCOC(=O)C1CCC(CCCC)CC1 727042512 GXFRLEPSPDDNPE-UHFFFAOYSA-N 236.355 3.550 30 20 BHED C=C(Cl)CNC(=O)C[C@@H](C)CCCCCC 736245293 NDOIVPKGSZEQFC-NSHDSACASA-N 245.794 3.852 30 20 BHED C=CCCC(CC)=NNc1ccc(C#N)cc1 750937833 QUEBCMFPZYCAGK-UHFFFAOYSA-N 227.311 3.702 30 20 BHED CC(=NNc1ccccc1)c1cc(F)cc(F)c1 755874490 PNOOGNNDTUNWMV-UHFFFAOYSA-N 246.260 3.801 30 20 BHED C#CCCCN1CCC[C@@H]1c1cccc(C)c1C 766904381 ZDYVABGANKPQLL-QGZVFWFLSA-N 241.378 3.854 30 20 BHED CCCC[C@H](CC)C(=O)OCCC(C)(C)C#N 776376202 SFYTZCVSDZIOCC-LBPRGKRZSA-N 239.359 3.686 30 20 BHED C[C@H]1CCC(=NOC2CCCC2)[C@@H](C)C1 783858825 GJHLFKCYYSSDSC-QWRGUYRKSA-N 209.333 3.758 30 20 BHED FC(F)c1ccc(C=NOC2CCCC2)cc1 794527383 YWYNGAPFZSJDOU-UHFFFAOYSA-N 239.265 3.917 30 20 BHED C=CC[C@@H](NC[C@H](C)C(C)(C)C)c1ccncc1 802645325 NGOVONYSLKTKAP-DZGCQCFKSA-N 246.398 3.971 30 20 BHED CC(C[C@@H](C)CC(C)C)=NN[C@@H]1CCSC1 808003569 POXFTKKCFRSFHA-WCQYABFASA-N 242.432 3.530 30 20 BHED CC1CC(=NNc2cccc(C(F)(F)F)c2)C1 814689891 KDSIFKJBECHYIJ-UHFFFAOYSA-N 242.244 3.903 30 20 BHED C=CCN(C[C@@H](CC)CC(F)F)C(C)C 851731494 RXRBDHHVTASKPI-NSHDSACASA-N 219.319 3.564 30 20 BHED C=CCC(CC=C)c1nnc(-c2ccccc2)o1 1324999182 MLLWUEJTGKNXQN-UHFFFAOYSA-N 240.306 3.972 30 20 BHED CCC(C[C@H](C)CC)=NNc1ccc(C#N)cn1 1336994496 BASSLERMETZCHD-LLVKDONJSA-N 244.342 3.567 30 20 BHED CCc1ccc(C)nc1N[C@H](C)CC(C)(C)C#N 1474626837 STQWCGIXZDOYHE-GFCCVEGCSA-N 245.370 3.693 30 20 BHED Cc1ccc(COc2ccc(C#N)cc2)c(C)c1 1640678456 ASRKCCSKHHOQSV-UHFFFAOYSA-N 237.302 3.754 30 20 BHED Cc1cccc(COc2ccc(C#N)c(C)c2)c1 1643894932 WJQIYOAGWRLKAY-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C=C(Cl)CN[C@@H]1CC[C@H](CCC(C)C)C1 1650315908 RUDQMYHZPRURCS-QWHCGFSZSA-N 229.795 3.933 30 20 BHED C=CCOc1cc(Cl)ccc1Cl 32148142 URPPDFSAIGMPMJ-UHFFFAOYSA-N 203.068 3.558 30 20 BHED C[C@H]1CCCC[C@H]1Nc1cccc(F)c1C#N 35134947 MPHIRAQMKXEVFB-GXFFZTMASA-N 232.302 3.688 30 20 BHED CCCCCCCC(=O)N1Cc2ccccc2C1 105977415 IEDSZQGWAIIJFY-UHFFFAOYSA-N 245.366 3.889 30 20 BHED CCCCCC(=O)NC(C#N)(CCC)CCC 106421652 YLVJQAKHRHTFHX-UHFFFAOYSA-N 238.375 3.545 30 20 BHED C=CCSCc1nnc(-c2ccccc2)s1 127540331 DWXMYLYNFVHRPY-UHFFFAOYSA-N 248.376 3.624 30 20 BHED CC(C)CCN(CC(C)(C)CCC#N)C1CC1 129834221 LFLCMCMBOBVEBQ-UHFFFAOYSA-N 236.403 3.827 30 20 BHED C=CCCCC(=O)N[C@H](C)CCCC(C)C 175191356 NKVMKEUJFFPNGX-CYBMUJFWSA-N 225.376 3.674 30 20 BHED N#CCCCCN[C@H]1CCSc2ccccc21 182254775 UYGLFTGXRCGVPJ-ZDUSSCGKSA-N 246.379 3.507 30 20 BHED C=CC[C@H](C)[C@@H](C)Nc1ccccc1CCOC 191577727 XJMXHKASRKKWMD-UONOGXRCSA-N 247.382 3.888 30 20 BHED O=C(/C=C/c1ccccc1F)c1ccsc1 194615491 QQAVBDYSILBGCC-AATRIKPKSA-N 232.279 3.783 30 20 BHED CC(C)=CC(=O)C[C@@H](C)c1ccc(O)c(C)c1 213856788 IBJADFSTHKILPU-LLVKDONJSA-N 232.323 3.730 30 20 BHED biogenic C=CCC[C@@H](C)NCC(CC)(CC)SC 230664778 ZWYYIDAVMVNKFF-GFCCVEGCSA-N 229.433 3.853 30 20 BHED C[C@@H]1CN(CCCCC(C)(C)C#N)CC[C@H]1C 300120040 JXKGKXLTXMKJCY-ZIAGYGMSSA-N 236.403 3.684 30 20 BHED CCCCCCCNc1ccn(C(C)C)n1 300802387 FHUUFJCPRVXLDK-UHFFFAOYSA-N 223.364 3.846 30 20 BHED CC(C)=NNc1cc(Cl)ccc1Cl 306389814 XKEPMGFLVPEAPK-UHFFFAOYSA-N 217.099 3.801 30 20 BHED Cc1cc(C#N)cc(NCc2ccc(C)s2)c1 308108398 JXCFNGIOPAAFJD-UHFFFAOYSA-N 242.347 3.849 30 20 BHED CC(C)(NCCCCC#N)C1CCCCC1 309522029 AODYBPHEIRTJET-UHFFFAOYSA-N 222.376 3.629 30 20 BHED CC1(C#N)CCC(Nc2ccccc2F)CC1 336226251 PIQZJEQNGNFLTJ-UHFFFAOYSA-N 232.302 3.710 30 20 BHED N#Cc1cnccc1/C=C\c1ccc(Cl)s1 349113593 RVLXRVYLFHGNRV-UPHRSURJSA-N 246.722 3.839 30 20 BHED Cc1ccc(C)c2c1CCC[C@@H]2NCCCC#N 349326088 SQNDVDQQOBYRGJ-HNNXBMFYSA-N 242.366 3.574 30 20 BHED CC[C@@H](NCc1ccc(C#N)s1)C1CCCC1 382785727 KQWUBCFMZHPQCY-CQSZACIVSA-N 248.395 3.678 30 20 BHED C=CCC[C@@H](C)NC[C@H](CC)CC(F)(F)F 402669745 NNVFSOWSOZTNQC-GHMZBOCLSA-N 237.309 3.909 30 20 BHED CC(C)[C@@H]1CCCN(CC(C)(C)CCC#N)C1 438343990 DQLMVJGEAONOJE-CQSZACIVSA-N 236.403 3.684 30 20 BHED C=CCOCCCS[C@H](CC)CCC 477036092 SHXNJYSEQLJRIQ-GFCCVEGCSA-N 216.390 3.891 30 20 BHED C=C(C)CN(C)[C@H]1CCc2c(Cl)cccc21 481289140 UFFHDEBKZXUHGJ-AWEZNQCLSA-N 235.758 3.835 30 20 BHED C=C(C)COc1cccc(NC[C@@H]2C[C@@H]2C)c1 488328835 XNPWMRREXSDYSI-STQMWFEESA-N 231.339 3.709 30 20 BHED C=CCCOc1ccccc1C(=O)OC(C)(C)C 516196630 CCPFMSWPJSEENI-UHFFFAOYSA-N 248.322 3.597 30 20 BHED C=C(CC)CN1CCC[C@@H]1c1ccc(F)cc1 537993002 HDOISQQGXMYNBN-OAHLLOKOSA-N 233.330 3.929 30 20 BHED C=CCC(C)(C)CNC[C@@H]1C[C@@H]1c1ccccc1 549829961 CVQWXSWJFAFYET-JKSUJKDBSA-N 243.394 3.982 30 20 BHED C=CCCCCSC[C@@H]1CCC[C@H](O)C1 576015650 IUCZMLSWQOTHFN-OLZOCXBDSA-N 228.401 3.627 30 20 BHED C=CCCCn1cc(-c2ccccc2)cn1 605449087 MSRSOQANQXIRLJ-UHFFFAOYSA-N 212.296 3.516 30 20 BHED C=CCCCN1CCc2cc(F)ccc2[C@H]1C 606448755 GEJPIOMQXVLOOL-GFCCVEGCSA-N 233.330 3.711 30 20 BHED Cc1ccc(CSc2ccc(C#N)cc2)nc1 610928350 QLDYGTDJMCUFJB-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=CCCN[C@H]1C[C@@H](c2ccccc2)C1(C)C 658112992 CDUOBOIBJLXPES-GJZGRUSLSA-N 229.367 3.734 30 20 BHED N#Cc1ccc(C(=O)C2CCCC2)cc1Cl 725326581 DCSJLDVWFNFUCN-UHFFFAOYSA-N 233.698 3.585 30 20 BHED CCCC(CCc1ccccc1)=NOCC 740760589 GPTYAFVHEVXZAV-UHFFFAOYSA-N 219.328 3.812 30 20 BHED CC(C)[C@H]1CCCCC1=NO[C@@H]1CCCCO1 755815378 RRNOXKSETZDRQR-TZMCWYRMSA-N 239.359 3.732 30 20 BHED CCCCCCCC(=O)N1CC[C@H](C)[C@@H](C)C1 766549741 JVWJMSRQBHMUDH-KBPBESRZSA-N 239.403 3.851 30 20 BHED CCC(CC)=NN[C@@H]1CCCCC1(C)C 773125075 MNZDOADHDSVCIW-GFCCVEGCSA-N 210.365 3.721 30 20 BHED O=C(/C=C\c1ccccc1C1CC1)c1ccncc1 776188662 YUCUIVVNTPOMJI-FPLPWBNLSA-N 249.313 3.855 30 20 BHED C[C@H]1CCCC(=NNc2cc(Cl)ccn2)C1 777912803 DVCFQTXWGLEYLW-VIFPVBQESA-N 237.734 3.713 30 20 BHED CC[C@H](C)NN=C[C@H](C)CCc1ccccc1 790183967 PYQQTYJZQFNZQM-KGLIPLIRSA-N 232.371 3.629 30 20 BHED CSCCON=C1CCC(C(C)C)CC1 794576931 KUQFPKNGBSBFKK-UHFFFAOYSA-N 229.389 3.568 30 20 BHED CON(CC(C)(C)C)[C@@H](C)c1cccc(C#N)c1 796470674 HBKKBRKOWZBWIA-LBPRGKRZSA-N 246.354 3.529 30 20 BHED CCC(=NOC1CCCCC1)c1cccc(N)c1 814910588 XZWIXGFYTQEMAV-UHFFFAOYSA-N 246.354 3.732 30 20 BHED CCC[C@H](C)C(CC)=NN[C@@H](C)c1ccncc1 819816542 KUALIDBVNBLXAN-STQMWFEESA-N 247.386 3.934 30 20 BHED C=CCCC[C@H](C)OC(=O)c1ccc(C)c(C)n1 840600795 WRASNZYHDDFVIO-LBPRGKRZSA-N 247.338 3.600 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H](C)c1ccc(C)o1 856373865 BZPOSZODQJPRDS-LBPRGKRZSA-N 249.354 3.553 30 20 BHED C=CCCC(C)(C)NC(=O)/C(C)=C\c1ccco1 856374853 IWFBYFQUKQDFHL-QXMHVHEDSA-N 247.338 3.544 30 20 BHED N#Cc1ccc(SCOC2CCCCC2)cc1 865354881 YZOVOFDOOZJKLN-UHFFFAOYSA-N 247.363 3.957 30 20 BHED C[C@@H]1CN(C[C@H](C)CCC#N)Cc2ccccc21 876544225 RABCPMUORLFDLO-ZIAGYGMSSA-N 242.366 3.546 30 20 BHED CON=Cc1ccc(-c2cccs2)cc1F 917542974 AQIFNISVPOKOEZ-UHFFFAOYSA-N 235.283 3.535 30 20 BHED Cc1cc(C=NNc2ccccc2Cl)c(C)[nH]1 917563408 QHZFFWZMANQCJR-UHFFFAOYSA-N 247.729 3.731 30 20 BHED C[C@H]1C[C@@H](C)C[C@H](CCN2CCC[C@H](C#N)C2)C1 1197621811 LAIZHNSRMNZKIT-FXUDXRNXSA-N 248.414 3.684 30 20 BHED C=CCCc1nnc(-c2cccc(Cl)c2)o1 1322760721 LFYLHNWGQJCTHF-UHFFFAOYSA-N 234.686 3.509 30 20 BHED C#Cc1cccc(NCc2sccc2C)c1 19876841 VDQHCEJERAHCOC-UHFFFAOYSA-N 227.332 3.650 30 20 BHED Cc1ccc(S[C@@H](C#N)C2CCCCC2)nc1 115187312 TVVNISOYSQPIAH-ZDUSSCGKSA-N 246.379 3.955 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1cscc1C 182650955 CUBFNDAUKSZUTH-LLVKDONJSA-N 237.368 3.531 30 20 BHED CC#CCCCC(=O)N(C1CC1)[C@H](C)[C@H](C)CC 185700279 NSZMDJCJEPKPIA-ZIAGYGMSSA-N 249.398 3.606 30 20 BHED C[C@@H]1CC[C@@H](NCc2cc(C#N)cs2)C[C@H]1C 246854993 LTMXYIQRELPXRY-NQBHXWOUSA-N 248.395 3.534 30 20 BHED C=CC[C@@H](C)[C@H](C)NCC(C)(C)c1ccccn1 294666533 AMVFBMKDKIIJLN-KGLIPLIRSA-N 246.398 3.550 30 20 BHED C=CCC[C@H](N[C@H](C)CC)c1ccco1 295964743 MHZJRMFISBBDFZ-NEPJUHHUSA-N 207.317 3.675 30 20 BHED C=CCCC[C@H](C)Nc1cc(CC)nc(C)n1 302124460 ZEWYZVFINSTRMH-NSHDSACASA-N 233.359 3.504 30 20 BHED C=CCC(C)(C)CN[C@H]1CCC[C@@H]1C1CC1 378847916 BGUVVBBRNQBIEV-KGLIPLIRSA-N 221.388 3.757 30 20 BHED C=C(C)CCN[C@@H](C)c1nc2ccccc2s1 386755700 HKXXGJBSJJUCBV-NSHDSACASA-N 246.379 3.913 30 20 BHED C=CC(C)(C)C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C 410538066 ACMHTVDTNPJGNP-VXGBXAGGSA-N 237.387 3.530 30 20 BHED C=C[C@@H](C)NC(=O)Nc1cccc(C2CCC2)c1 463848802 WRNOQKSCIVEFOY-LLVKDONJSA-N 244.338 3.650 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CCC[C@@H](CC)C2)CC1 476089746 IGLJMGPITHSTIP-ZIAGYGMSSA-N 249.398 3.818 30 20 BHED C=C(CC)CN(Cc1cccs1)C(C)C 536888959 FAMKODBNJRNXFJ-UHFFFAOYSA-N 223.385 3.925 30 20 BHED C=CCC[C@@H](Nc1cccc(OC)c1)C1CC1 538510614 YTUXWISLQANKNV-OAHLLOKOSA-N 231.339 3.852 30 20 BHED C=CCCCCN1CCC[C@H]1c1cccnc1 569426332 GUZHDBSRUSBVPH-HNNXBMFYSA-N 230.355 3.575 30 20 BHED CC[C@H](C)CN(CC)[C@H](C#N)c1ccccc1 595343838 FLMBPCHQGCYNNL-DZGCQCFKSA-N 230.355 3.619 30 20 BHED Cc1ccc(CSCCCC#N)cc1F 600642359 DBEQFEYAFSFOTM-UHFFFAOYSA-N 223.316 3.671 30 20 BHED C[C@H](CCC#N)CN[C@@H]1CCC[C@H]1C(C)(C)C 602692467 IFQGDXNNVZAXEC-MGPQQGTHSA-N 236.403 3.731 30 20 BHED CC[C@H](C)[C@@H]1CCCCN1CCCCC#N 610001961 POFOYDHMIIQSLV-KBPBESRZSA-N 222.376 3.581 30 20 BHED C=CCC1(NC(=O)C2CC3(CCC3)C2)CCCC1 619111675 DMMGRBHSBBQWIW-UHFFFAOYSA-N 247.382 3.572 30 20 BHED C=CC[C@H](CC)NCc1cc2ccncc2s1 657454576 AJLOQZARFVHKDC-LBPRGKRZSA-N 246.379 3.741 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cc2ccncc2s1 657917998 HLBCAFNVJOVFAY-GHMZBOCLSA-N 246.379 3.912 30 20 BHED C=CC[C@H]1CCCN(c2nc(C)c(C)s2)C1 664254012 SMSYLZVGDZWXTD-LBPRGKRZSA-N 236.384 3.552 30 20 BHED C=C(Cl)CN(C)C/C(C)=C/c1ccccc1 755194756 LBIDONBCGLERDO-FMIVXFBMSA-N 235.758 3.774 30 20 BHED CC[C@@H](C)C=NNc1ncccc1C(F)(F)F 755643107 NPGJSJZTPSDDQA-MRVPVSSYSA-N 245.248 3.544 30 20 BHED CCCCCCCCCC(=O)NC1CC=CC1 760033656 ROVTUYCMRLBKSK-UHFFFAOYSA-N 237.387 3.962 30 20 BHED CON=Cc1ccc(-c2ccccc2Cl)o1 767492578 TYAPYDYDXVCGLR-UHFFFAOYSA-N 235.670 3.580 30 20 BHED C#CCCCCCc1nc(-c2cccs2)no1 779739836 HNIHSZRRODCGRH-UHFFFAOYSA-N 246.335 3.534 30 20 BHED CCC(=NOC)c1cccc2ccccc12 780209347 IAJCNYAISIEIJD-UHFFFAOYSA-N 213.280 3.600 30 20 BHED CCC(CC)NN=C1CC[C@H](C)C[C@@H]1C 783846131 JOYXZVCIAWOSDU-QWRGUYRKSA-N 210.365 3.577 30 20 BHED C=CCCCCCOC(=O)c1cc(CC)ccn1 784537209 HZSUZVFYNIBVRD-UHFFFAOYSA-N 247.338 3.547 30 20 BHED Cc1cccnc1NN=C1CC[C@@H](C)C[C@H]1C 790193047 PSZVTUUBNRHWTM-ZYHUDNBSSA-N 231.343 3.614 30 20 BHED COc1ccc(NN=C[C@H](C)CC(C)C)cc1 799111932 NISDSCHTDGQTOB-GFCCVEGCSA-N 234.343 3.775 30 20 BHED CCc1cccc(C)c1NN=CCCSC 799493818 QQWAFZAEWCQHRU-UHFFFAOYSA-N 236.384 3.708 30 20 BHED C#CC[C@H](N[C@H]1CC[C@@H]1CC)c1ccccc1 806148978 NDHYGNZIJIBXGA-BPUTZDHNSA-N 227.351 3.529 30 20 BHED CCCC(CC)=NNc1ccc([N+](=O)[O-])cc1C 807989156 DQMFCKHDYKATCZ-UHFFFAOYSA-N 249.314 3.881 30 20 BHED CC[C@H]1C[C@H](C)CCC1=NOC1CCC1 812238366 TZVFJBYKYVAOFD-MNOVXSKESA-N 209.333 3.758 30 20 BHED C[C@H]1CCC(=NOCCC2CC2)[C@@H](C)C1 814246906 HSKJGKSAYDBECW-QWRGUYRKSA-N 209.333 3.615 30 20 BHED CC[C@@H](C)NN=Cc1ccc(C2CCC2)cc1 814913570 QNLRMVVZFJXIFI-GFCCVEGCSA-N 230.355 3.676 30 20 BHED CC[C@@H](C)CC=NNc1ncccc1Cl 834943017 SZDMGCFFZPARIN-SECBINFHSA-N 225.723 3.569 30 20 BHED CCC(=NOCc1cccnc1)C1CCCC1 834965635 FINLQRRTQGXHQM-UHFFFAOYSA-N 232.327 3.554 30 20 BHED CCC(=NOCc1ccccc1OC)[C@@H]1C[C@@H]1C 841636340 KNPWOXRJTPHBFB-WCQYABFASA-N 247.338 3.634 30 20 BHED C=CC[C@@H]1CCCN(c2ccnc(Cl)c2)C1 853801670 GMOKKOVJOIQOLT-LLVKDONJSA-N 236.746 3.528 30 20 BHED C[C@@H](CCC#N)CN1Cc2cccc(Cl)c2C1 877530355 SUUDZUMTXAWLBB-NSHDSACASA-N 248.757 3.595 30 20 BHED C=CC(C)(C)CC(=O)N1[C@@H](C)CCC[C@H]1CC 893043609 IGKGXVXCTSSUSL-QWHCGFSZSA-N 237.387 3.768 30 20 BHED CCCCCC(C)=NNc1ccc(C#N)cc1 915962753 VNMASWAMIPZPIP-UHFFFAOYSA-N 229.327 3.926 30 20 BHED C[C@@H]1CC[C@@H](C)N1CCCCC1(C#N)CCC1 929829413 QZSPNSFFEBYBMD-ZIAGYGMSSA-N 234.387 3.723 30 20 BHED C=C(Cl)CN1Cc2cc(C)ccc2CC1(C)C 1170558529 AJIDAHMHHNTCDP-UHFFFAOYSA-N 249.785 3.884 30 20 BHED CC1(C)CCC(C)(CN[C@H]2CC[C@@H](C#N)C2)CC1 1182396848 KNVRLIVOGXSWIA-KGLIPLIRSA-N 248.414 3.875 30 20 BHED C[C@H](N[C@@H]1CC[C@@H](C#N)C1)C1CCCCCC1 1193262089 ZDBMAFXHZOCDQY-GZBFAFLISA-N 234.387 3.627 30 20 BHED CC(C)(CCC#N)CN1CC[C@@H]2CCCC[C@@H]2C1 1319682810 XTDNNCDRIWPVNU-LSDHHAIUSA-N 248.414 3.828 30 20 BHED C=C(C)CCC(=O)N1CCC[C@H]1C1CCCC1 1353541323 NWDRUHZCXGROHN-AWEZNQCLSA-N 235.371 3.524 30 20 BHED C=CC[C@@H](C)NC(=O)[C@@H](c1ccccc1)C(C)C 80348456 CFBYXPVYVIFNPN-UKRRQHHQSA-N 245.366 3.507 30 20 BHED Cc1cccc(C)c1COc1ccc(C#N)cc1 96810228 OVAZNCMDYHJVKX-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C=CCN(C)[C@H](C)c1ccc(F)c(Cl)c1 121311199 XOXJNPVIUNXGEH-SECBINFHSA-N 227.710 3.658 30 20 BHED C=C(Cl)CN(C1CC1)[C@H](C)c1ccco1 127847121 XQHFUJDFCRHECQ-SNVBAGLBSA-N 225.719 3.558 30 20 BHED C=C[C@H](C)N[C@H]1CC[C@H](C)c2ccccc21 157270840 WJCLCCBSYVMJKA-HUBLWGQQSA-N 215.340 3.789 30 20 BHED Cc1cccc(SCCCSCC#N)c1 174015713 YYMZXVSJLGAURW-UHFFFAOYSA-N 237.393 3.734 30 20 BHED C=CCCCN[C@H](c1ccccc1)C1CC1 179693687 YNEYVXCWUNDDOI-OAHLLOKOSA-N 215.340 3.694 30 20 BHED C=C(C)CN[C@H](C)c1ncc(-c2ccccc2)o1 184865175 FGLGBLUIDZGEJD-GFCCVEGCSA-N 242.322 3.568 30 20 BHED C=CCSc1cc(C)nc2ccccc12 218466900 PBCBUUIQJLAKBA-UHFFFAOYSA-N 215.321 3.821 30 20 BHED C=CCCSCc1csc(C2CC2)n1 270325423 LTSFEVOKPZTJMR-UHFFFAOYSA-N 225.382 3.830 30 20 BHED CN(CCCC#N)[C@@H]1CCC[C@@H]1c1ccccc1 297452466 HIZZBBAZBLIJJN-HZPDHXFCSA-N 242.366 3.558 30 20 BHED C=CCCNc1ccc(-n2cccn2)c(Cl)c1 303913054 URUFYUSEKCCRLY-UHFFFAOYSA-N 247.729 3.514 30 20 BHED C=C(Cl)COc1ccc(Cl)cc1C 307636512 XECMOGGZTSZOHZ-UHFFFAOYSA-N 217.095 3.780 30 20 BHED CCCCCCCCN[C@@]1(CC)CCOC1 309466971 PPLRMAMWDJVNHA-AWEZNQCLSA-N 227.392 3.506 30 20 BHED C=CCN[C@H](CC(C)C)c1ccccc1C 309636446 SRHLDAZODOWHNP-OAHLLOKOSA-N 217.356 3.858 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1cc(C)oc1C 310032969 RSICMPDLYKNFIP-AAEUAGOBSA-N 221.344 3.902 30 20 BHED C=CCCN(C)Cc1cccc(SCC)c1 343491656 OAEOKAUKNMSOON-UHFFFAOYSA-N 235.396 3.807 30 20 BHED C=CCC(C)(C)CN[C@@H]1CC[C@H]1C1CCC1 378848676 CCMSFZKULFYLOY-UONOGXRCSA-N 221.388 3.757 30 20 BHED C=CC[C@@H](CC)NCc1cc(C)ccc1F 381345401 YVJTXPDQKICRLI-CYBMUJFWSA-N 221.319 3.578 30 20 BHED C=CCC[C@H](CC)NC1CC(C(F)(F)F)C1 381536891 FZGGHWBHFHYWGU-YVNMAJEFSA-N 235.293 3.662 30 20 BHED C=CC(C)(C)CNC1CC(c2cccc(F)c2)C1 385571792 ZWSMERPYVYTWSG-UHFFFAOYSA-N 247.357 3.874 30 20 BHED C=CCC[C@H](CC)NC[C@H]1CCC(F)(F)C1 393736719 ACVGNRWTZGBGFB-RYUDHWBXSA-N 231.330 3.756 30 20 BHED C=CC[C@@H](CC)N[C@H](C)Cc1ccc(F)cc1 393805865 WNSSLRLSBOEQFE-IUODEOHRSA-N 235.346 3.701 30 20 BHED N#CCCSCc1ccc(Cl)cc1F 413012658 MNSYHQLMUUIMKH-UHFFFAOYSA-N 229.707 3.626 30 20 BHED C=CCC[C@@H](C)N[C@@H]1CCCc2cc(N)ccc21 414941823 YXXWYGAILHJPPH-MLGOLLRUSA-N 244.382 3.591 30 20 BHED CCCC[C@H]1CCC[C@@H]1N[C@@H]1CC[C@H](C#N)C1 424336394 XXGDVWVRGDNKMD-XQLPTFJDSA-N 234.387 3.627 30 20 BHED C=C(C)C(C)(C)C(=O)N1CCC[C@](C)(CC)C1 424702056 ULYIVMJOWGKCHT-HNNXBMFYSA-N 237.387 3.627 30 20 BHED CCC[C@H](C)[C@@H](CC)NCc1cccc(C#N)c1 480833058 YBIDZMYSQZJOFY-XJKSGUPXSA-N 244.382 3.863 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C[C@@H](CC)C(C)C 488871028 PAACSVLTAFFMJR-ZIAGYGMSSA-N 237.387 3.626 30 20 BHED Cc1cn(Cc2ccc(F)c(Cl)c2)cc1C#N 526046345 RSBVNBBBESLTLV-UHFFFAOYSA-N 248.688 3.509 30 20 BHED CCC[C@@H](CC)N[C@H]1CCc2ccc(C#N)cc21 578472622 HRRVMWLGINJRSA-ZBFHGGJFSA-N 242.366 3.714 30 20 BHED C=CCCC(=O)N1CC(C)(C)[C@H]1c1ccccc1 588033108 DLCRCOIXUZUQKT-OAHLLOKOSA-N 243.350 3.562 30 20 BHED CC[C@H](c1ccccc1)N(CCC#N)C(C)C 595858122 SRHJHMQIPDZLSG-OAHLLOKOSA-N 230.355 3.762 30 20 BHED C[C@H](CCC#N)CNC1CCC(C2CCC2)CC1 602723792 SZZDFRGKAQUGNA-IUDNXUCKSA-N 248.414 3.875 30 20 BHED C=CCSCc1cc(-c2ccc(F)cc2)no1 609633972 OLARYAHRXQLFCR-UHFFFAOYSA-N 249.310 3.900 30 20 BHED N#CCc1ccc(N[C@@H]2CCC23CCCC3)cc1 694353410 VRPJBMVOYZAEFG-OAHLLOKOSA-N 240.350 3.887 30 20 BHED C=CC[C@H](C)C(C)=NNc1cccc(OC)c1 727777463 OWCXBWMFQONEIO-NSHDSACASA-N 232.327 3.695 30 20 BHED Cc1ccc(/C=C/C(=O)c2cncs2)cc1C 735792229 AFTVMCNHEMDICJ-AATRIKPKSA-N 243.331 3.656 30 20 BHED C[C@H]1CC(C)(C)CCC1=NNC1CCCC1 748251180 HPLFTRDWFUAORQ-NSHDSACASA-N 222.376 3.721 30 20 BHED CC(CCc1cccc(F)c1)=NOCC(C)C 749636532 PAXHMVHMFPISOP-UHFFFAOYSA-N 237.318 3.807 30 20 BHED C#CCNc1cccc(COC(C)(C)CC)c1C 754312826 GCNNOSZNGKMIKP-UHFFFAOYSA-N 245.366 3.745 30 20 BHED CCC[C@@H](C)C(CC)=NO[C@H]1CCCCO1 755821170 BQLWFKWPPHILDH-YPMHNXCESA-N 227.348 3.732 30 20 BHED Cc1cc(/C=C\C(=O)c2ccccc2)ccc1C#N 766484706 PJRCKMUVTLASQY-NTMALXAHSA-N 247.297 3.763 30 20 BHED C#CC[C@H](N[C@H](C)C1CCCC1)c1ccccc1 773113282 CXOXUKPTZMYTAI-PBHICJAKSA-N 241.378 3.919 30 20 BHED C[C@H]1CC(C)(C)CCC1=NNc1ccnc(F)c1 781133303 CFWYXWCAJFWBMR-JTQLQIEISA-N 249.333 3.835 30 20 BHED C#C[C@H](CCC)NC(=O)[C@@H](C)CCCCCC 791746622 NGKMHTOMWNURPA-UONOGXRCSA-N 237.387 3.511 30 20 BHED C=CCCCCC[C@H](C)N[C@]1(C)CCCOC1 793529990 CONCIHGDKXBMKL-LSDHHAIUSA-N 239.403 3.670 30 20 BHED CCCCCCCC(=O)N1CCC(F)(F)CC1 794296084 MXAKGANVZNRYJE-UHFFFAOYSA-N 247.329 3.605 30 20 BHED CC1=CCC[C@H](C)[C@@H]1C=NOC/C=C\Cl 811669217 YFIQPLAPNFUFFQ-LEWDQOKTSA-N 227.735 3.734 30 20 BHED Fc1ccc(/C=C/C=NOC/C=C/Cl)cc1 811671674 JPYXNQQBUJWWIA-VKMQZEHTSA-N 239.677 3.594 30 20 BHED C=C(C)CON=C[C@H]1C(C)=CCC[C@@H]1C 844617811 CVMMKIPNEVQRRJ-STQMWFEESA-N 207.317 3.557 30 20 BHED Fc1cccc(NN=C2CCCC2)c1Cl 863156876 DVCQADSBTCSYSN-UHFFFAOYSA-N 226.682 3.821 30 20 BHED CCCCCCCCCn1cnc2nccnc21 863483274 UHMUTVYVUYTYSL-UHFFFAOYSA-N 246.358 3.577 30 20 BHED CC(C)(C)SCOc1cc(F)cc(C#N)c1 871670981 HHVXSZUNEPONLI-UHFFFAOYSA-N 239.315 3.565 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H](c1ccncc1)C1CC1 898323108 XPJFPMALGNFBFA-WOSRLPQWSA-N 244.382 3.723 30 20 BHED C[C@H](NN=Cc1ccccc1F)c1ccccc1 920386076 PMTFSOBCQAKKQM-LBPRGKRZSA-N 242.297 3.510 30 20 BHED CC(C)CNN=C1CC[C@H]2CCCC[C@H]2C1 1319757754 CISCYLBWMZIUHV-OLZOCXBDSA-N 222.376 3.578 30 20 BHED C[C@@H](CNc1c(C#N)cccc1C#N)C(C)(C)C 1333167582 RGQCADQORBIWKJ-NSHDSACASA-N 241.338 3.524 30 20 BHED CC[C@H](C)CSCc1ccc(C#N)s1 1643785681 XWAHKWRDKLCALU-VIFPVBQESA-N 225.382 3.899 30 20 BHED C[C@@H]1CCCC[C@@H]1COc1ccc(C#N)cc1F 1651870175 LMQPUJYZRHXZAY-DGCLKSJQSA-N 247.313 3.902 30 20 BHED CC[C@@H]1C[C@H]1CSc1cccc(C#N)c1 1656326740 JSUIZRRHFSGLNH-NEPJUHHUSA-N 217.337 3.696 30 20 BHED CCCCC[C@H](C)NCc1cc(C#N)ccc1F 42269258 WNGXYFFJAGPEAT-LBPRGKRZSA-N 248.345 3.756 30 20 BHED C=CC1CCN(C(=O)CCCC(C)(C)C)CC1 110368139 MFDCFUPUQXFGAF-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C#CCCCCC(=O)N(CCCC)[C@H](C)CC 120120882 UAEANGPPXKUGPQ-CQSZACIVSA-N 237.387 3.607 30 20 BHED CC[C@@H]1CCCC[C@H]1N(C)CCC(C)(C)C#N 120725779 YQNAOWJVWXCKMB-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED C=CCC[C@H](NC[C@@H]1CC=CCC1)C1CC1 125302119 FOTQHWDKOIYBFQ-HIFRSBDPSA-N 219.372 3.677 30 20 BHED C=CC[C@H](C)N[C@H]1CCc2ccc(Cl)cc21 129623366 IYNIGZCKYPQGPK-HZMBPMFUSA-N 235.758 3.882 30 20 BHED C=CCC[C@@H](NC(=O)CC1CC1)c1ccccc1 133785981 QQTJOAMPHNZYQC-OAHLLOKOSA-N 243.350 3.610 30 20 BHED C=C(C)c1ccc(C)cc1OC(=O)C(C)C 141117577 BSAPRZRKFYAPEB-UHFFFAOYSA-N 218.296 3.590 30 20 BHED C=CC[C@H](C)N[C@@H]1CCCc2sccc21 161649117 HQLCSBPLHPDACU-CMPLNLGQSA-N 221.369 3.680 30 20 BHED c1ccc(CON=C2CCCCC2)cc1 167834865 OALBUOUMTBHBTQ-UHFFFAOYSA-N 203.285 3.523 30 20 BHED CCCCCCCN(C)Cc1scnc1C 172656823 KTETXIYGPQSFEU-UHFFFAOYSA-N 240.416 3.854 30 20 BHED CC(=C/c1ccccc1)/C=C/C(=O)c1ccncc1 182242911 RPOLVDPRGJHCDF-YFGOPRLYSA-N 249.313 3.924 30 20 BHED C#CCCCC(=O)Nc1ccc2ccccc2c1 192035864 JRLDOTWBAANKGG-UHFFFAOYSA-N 237.302 3.582 30 20 BHED C#CCCCC(=O)NC[C@@H](CCC)CCCC 192149553 IPQUEFXAJOPTJW-AWEZNQCLSA-N 237.387 3.513 30 20 BHED C=CCSCCN[C@@H]1CCCc2ccccc21 221942245 ZFJWYHBJCBWJSU-OAHLLOKOSA-N 247.407 3.573 30 20 BHED CCCC[C@@H](CCC)Nc1ccnc(C#N)c1 226033470 TWTBOIZVIYNYES-GFCCVEGCSA-N 231.343 3.724 30 20 BHED C[C@@H](Cc1ccsc1)Nc1cccc(C#N)c1 228595233 LLMBLJMYVCKNGI-NSHDSACASA-N 242.347 3.663 30 20 BHED COc1cccc(CS[C@H]2CC[C@@H](C#N)C2)c1 278603237 QWTDBZYISUPTDO-RISCZKNCSA-N 247.363 3.621 30 20 BHED N#Cc1ccnc(N[C@@H](c2ccccc2)C2CC2)c1 283696351 ZNEYOEMPDURRDT-INIZCTEOSA-N 249.317 3.516 30 20 BHED CCc1ccc(NCc2ccc(C#N)o2)cc1C 301719664 KIZIJANQMNIPSC-UHFFFAOYSA-N 240.306 3.634 30 20 BHED C=CCCN[C@H](CCC=C)c1ccccc1 309409241 XRGKZGMQIMZLOL-OAHLLOKOSA-N 215.340 3.860 30 20 BHED Cc1cc(S[C@H]2CC[C@H](C#N)C2)ccc1C#N 335468786 DAQKDOIYYZPZIN-FZMZJTMJSA-N 242.347 3.651 30 20 BHED N#CC1(CSCc2c(F)cccc2F)CC1 355265113 GAENPLSWJIKHIY-UHFFFAOYSA-N 239.290 3.502 30 20 BHED C=C(CC)CN(C)[C@@H](C)c1sc(C)nc1C 358507921 LEQGWOGQQBIWKG-NSHDSACASA-N 238.400 3.719 30 20 BHED C[C@H](c1ccc(C#N)cc1)N1[C@H]2CCC[C@H]1CC2 366665723 MNQVQVJNKOGXOX-KCXAZCMYSA-N 240.350 3.636 30 20 BHED C=CCC(C)(C)C(=O)NC[C@@H]1CCC[C@@H]1C1CC1 412475393 MQEXHSGRCXYFAJ-UONOGXRCSA-N 249.398 3.531 30 20 BHED N#CC1(COc2cc(F)ccc2Cl)CCC1 419005357 PDYKQZZHQUKJIE-UHFFFAOYSA-N 239.677 3.552 30 20 BHED Clc1ccc(C#CCNc2ccccc2)cc1 426335042 NJESGHSBBHQGJG-UHFFFAOYSA-N 241.721 3.804 30 20 BHED C=CC[C@H](C)NC(=O)Nc1ccc2ccoc2c1 443367089 BDBXLLBGHWHWLO-JTQLQIEISA-N 244.294 3.519 30 20 BHED C=CC(C)(C)c1nc([C@@H](C)C(C)(C)C)no1 453120415 NJYOXZHSNPDPKX-SECBINFHSA-N 222.332 3.683 30 20 BHED C=CC(C)(C)CN[C@H](CC)c1ccc(C#N)cc1 453315017 ZEBYSYIRHYGPOP-OAHLLOKOSA-N 242.366 3.811 30 20 BHED CC#CCNc1ccccc1N1CCCCCC1 537319553 XGTDCYRRLXPJAK-UHFFFAOYSA-N 242.366 3.502 30 20 BHED C=CCCC[C@@H](C)NC(=O)N[C@H](CC)CCC 538280415 AQGOANWTMQZMDP-CHWSQXEVSA-N 240.391 3.609 30 20 BHED C=CCCCCCN(C)C(=O)C12CCC(CC1)C2 542192712 LNYPWBGSCCTTNR-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CCN(C[C@@H](CC)c1ccccc1)C1CC1 544599257 OFZVUEUFJGHYJA-CQSZACIVSA-N 229.367 3.831 30 20 BHED C=CCC[C@@H](CC)NCC1(OCC)CCCC1 550881696 BJHYJGZAKRFISO-CQSZACIVSA-N 239.403 3.670 30 20 BHED C[C@@H](CCC#N)CNCC(C)(C)C1=CCCC1 602686181 BQLIKZPWLGMGND-ZDUSSCGKSA-N 234.387 3.652 30 20 BHED C=CCCSc1ccnc2ccccc12 606755962 UHOWUFPZQYBLKL-UHFFFAOYSA-N 215.321 3.903 30 20 BHED C=CCCCCCN(C)C(=O)C1(C)CCCC1 606815931 HRGCUSVSNODMKF-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C=CCCC(C)(C)NC(=O)c1ccc(C)cc1C 620864024 MWFWPMCZIPKTHR-UHFFFAOYSA-N 245.366 3.778 30 20 BHED CCC(CC)CNN=Cc1cc2ccccc2o1 774478987 UKCPJYLVNNFYLT-UHFFFAOYSA-N 244.338 3.793 30 20 BHED Cc1cc2ccccc2nc1NN=C1CCCC1 776786129 QDWUZISIBNSYCP-UHFFFAOYSA-N 239.322 3.885 30 20 BHED C#C[C@H](CCC)NC(=O)C[C@@H](C)CCCCC 791202892 VOKMFIBNUUKIFD-UONOGXRCSA-N 237.387 3.511 30 20 BHED CCCC[C@H](CCC)OC(=O)c1ccc(C#N)o1 796154283 NAEZQNFDONYFTR-NSHDSACASA-N 249.310 3.667 30 20 BHED Cc1cc(C(=O)/C=C/c2cccs2)oc1C 799897217 NKDFTPPKOHTMQN-AATRIKPKSA-N 232.304 3.854 30 20 BHED C[C@@H](C=NNc1nc2ccccc2[nH]1)C(C)(C)C 800805516 ZKXBCPCDEOISFP-JTQLQIEISA-N 244.342 3.643 30 20 BHED C[C@@H]1C[C@H]1c1ccc(C=NOC/C=C/Cl)o1 811668865 KXMDKPJNZVWFPK-NHVFQRCRSA-N 239.702 3.506 30 20 BHED C[C@@H](C=NOCC1CC1)CCc1ccccc1 814244019 XQWMBEAPLWFGIG-CYBMUJFWSA-N 231.339 3.668 30 20 BHED CC[C@@H]1CCC[C@@H](C=NOCC2CC2)C1 814244882 MMUFFOBYUPIPNK-DGCLKSJQSA-N 209.333 3.615 30 20 BHED C=CCCC(CCC)=NN[C@H](C)C(F)(F)F 834998279 DZBGURXOXFPYST-SECBINFHSA-N 236.281 3.649 30 20 BHED C=C[C@@H](CC)Cc1nc([C@H](C)c2ccco2)no1 904111324 SWNZIASIKITQEB-MNOVXSKESA-N 246.310 3.569 30 20 BHED C=CCCOc1ccc(C)c2c1C(=O)C[C@H]2C 1318694952 ABTLTBJWRXWOFS-LLVKDONJSA-N 230.307 3.640 30 20 BHED C[C@@H](Sc1cccnc1C#N)c1ccccc1 1641128513 SHOIWKCEKQOFHP-LLVKDONJSA-N 240.331 3.807 30 20 BHED CCc1ccc2c(c1)CCN2CCC(C)(C)C#N 1656461370 SGVOFTNBGNWULC-UHFFFAOYSA-N 242.366 3.551 30 20 BHED N#Cc1sc2cccc(F)c2c1Cl 40175345 ZHBUUSZWHRAWIY-UHFFFAOYSA-N 211.648 3.565 30 20 BHED Cc1cccc(CN(C)c2ccc(C#N)cc2)c1 42338594 SBZCRVOQKFRTIO-UHFFFAOYSA-N 236.318 3.503 30 20 BHED C[C@H]1C[C@@H](C)CN(c2cccc(Cl)c2C#N)C1 48727847 QFHCGSKOMXTDMO-PHIMTYICSA-N 248.757 3.694 30 20 BHED C[C@@H]1CCC[C@H](N(C)c2cccc(F)c2C#N)C1 88263510 AUEGVPKAVGDMOX-NEPJUHHUSA-N 246.329 3.712 30 20 BHED CCC1(CC)CCN(Cc2ccc(C#N)cc2)C1 94802939 VQHOIBXNGQXUAR-UHFFFAOYSA-N 242.366 3.570 30 20 BHED C=CCN(C(=O)CC(C)(C)C)c1ccccc1 97111501 RDGFRVGXXJZDAG-UHFFFAOYSA-N 231.339 3.642 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc(SC)c(F)c1 119329653 IZMSWYUHKOLNGP-UWVGGRQHSA-N 239.359 3.773 30 20 BHED Cc1ccccc1CN(C)CC(C)(C)CCC#N 160530250 CVQYSXRGIIHXIC-UHFFFAOYSA-N 244.382 3.757 30 20 BHED C=CCCCC(=O)N[C@H](c1ccccc1)C1CC1 175211664 UJDFMHXLDPUHGQ-MRXNPFEDSA-N 243.350 3.610 30 20 BHED C#CCCCN[C@H]1CC[C@@H](C)c2ccccc21 178059237 GBVOPKWATWZANQ-CJNGLKHVSA-N 227.351 3.628 30 20 BHED Cc1ccc(F)cc1N[C@@H]1CCC[C@H](C#N)C1 185735485 RUAQAGIEMVYDMZ-WCQYABFASA-N 232.302 3.628 30 20 BHED C=CCSCCN[C@H](C)c1cc(C)ccc1C 221941461 JXBLNXKTCCWCMU-CQSZACIVSA-N 249.423 3.873 30 20 BHED CC(C)[C@H](C)SCc1cc(F)ccc1C#N 229950282 IUZHDJACCGFKFM-JTQLQIEISA-N 237.343 3.975 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1csc(Cl)c1 230410450 RLOHSAIWFPTXTO-SFYZADRCSA-N 215.749 3.627 30 20 BHED CC(C)[C@H](C)SCCOc1ccccc1C#N 231193460 SRSKJCLJWWKTBZ-LBPRGKRZSA-N 249.379 3.715 30 20 BHED C[C@H](CCC(C)(C)C)NCc1ccc(C#N)cc1 237377727 IETZCEZJNANULE-CYBMUJFWSA-N 244.382 3.863 30 20 BHED C=CC[C@@H](C)[C@H](C)Nc1cccc(OCC#N)c1 272911834 HXPDQGRYIUWPOZ-OLZOCXBDSA-N 244.338 3.602 30 20 BHED Fc1c(Cl)cccc1CON=C1CCC1 276095885 NGADIOUHXMZIMS-UHFFFAOYSA-N 227.666 3.536 30 20 BHED CC(C)(C#N)CCNc1cccc(C(F)F)c1 288659782 GHZGFODPCNOWFT-UHFFFAOYSA-N 238.281 3.976 30 20 BHED Cc1sccc1CNc1cccc(C#N)c1 309407701 JTZHHPQHKMLAJG-UHFFFAOYSA-N 228.320 3.540 30 20 BHED C=CCC[C@H](CCC)NCCSC(C)C 380345004 SVBGQLWJANSCQJ-ZDUSSCGKSA-N 229.433 3.853 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1sc(C)nc1C 384853594 MFUZDHBZTKOQJS-VIFPVBQESA-N 238.400 3.623 30 20 BHED C=C(CC)CN[C@H](C)c1ccc(F)cc1F 390508382 YGLPTISKYGCDDB-SNVBAGLBSA-N 225.282 3.582 30 20 BHED C[C@@H]1CN(CCCCC(C)(C)C#N)[C@@H](C)[C@@H]1C 399657154 KFVXQKVYIHQBGI-MCIONIFRSA-N 236.403 3.683 30 20 BHED N#C[C@@H]1CC[C@@H](SCC2CCCCC2)C1 430106124 YGJVAYMVKNIDGQ-CHWSQXEVSA-N 223.385 3.992 30 20 BHED Cc1cc(N[C@@H]2CC[C@@H](C#N)C2)ccc1C1CC1 442843793 ULCYHXPJMSEUAY-IUODEOHRSA-N 240.350 3.977 30 20 BHED C=CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 467057005 HKQUZUWZEFXROP-SOUVJXGZSA-N 249.398 3.627 30 20 BHED CCCC(CCC)SCC1(C#N)CC1 537554937 UZCAVBIZSAQPDE-UHFFFAOYSA-N 211.374 3.992 30 20 BHED C=CCCCCCN(C)Cc1ccsc1 539827642 OJPJFYIVHIGLKA-UHFFFAOYSA-N 223.385 3.926 30 20 BHED C=CCCCC(=O)NCC1(CC)CCCCC1 547229482 IXORSCYFINPEQC-UHFFFAOYSA-N 237.387 3.819 30 20 BHED Cc1cc([C@@H](C)NC[C@H](C)CCC#N)ccc1F 602567825 LFHWKCWVYGZUSJ-DGCLKSJQSA-N 248.345 3.725 30 20 BHED C=CCCCC(=O)O[C@H](C)c1ccccc1F 748225278 HVFIXHDGIMHIPC-LLVKDONJSA-N 236.286 3.786 30 20 BHED Cc1cc(F)ccc1NN=C[C@H]1CC=CCC1 750939285 YZJYYUVWCRGJHW-LBPRGKRZSA-N 232.302 3.888 30 20 BHED CC(C)(C)C=NNc1cc(F)c(F)cc1F 755730688 MMYLNKVNNLABHY-UHFFFAOYSA-N 230.233 3.548 30 20 BHED C=C[C@H](C)NC(=O)[C@@H](CC)CCCCCC 757014265 WYMKWGPEKJSYIM-STQMWFEESA-N 225.376 3.674 30 20 BHED C=CCCC(=O)OCc1ccc(C(F)F)cc1 764525260 FYLRHRQYNPYBPB-UHFFFAOYSA-N 240.249 3.634 30 20 BHED O=C(/C=C/C=C\c1ccccc1)c1cscn1 776191449 HVLRZFATGQBZBD-MVTUOISNSA-N 241.315 3.595 30 20 BHED CCc1ccc(C(C)=NOCCC(F)(F)F)o1 777455753 KWXQQSWTLZSTAQ-UHFFFAOYSA-N 249.232 3.535 30 20 BHED CCCCCCC=NNc1ccnc(F)c1 781132890 QBIWGYBAIUIALG-UHFFFAOYSA-N 223.295 3.589 30 20 BHED C[C@H](NN=Cc1cc2ccccc2[nH]1)C(C)(C)C 793112826 XQWOWHAKNBUULH-NSHDSACASA-N 243.354 3.526 30 20 BHED CC[C@@H]1CCCC1=NNc1cccc(Cl)n1 793160516 BQVKSJJOQALAFA-SECBINFHSA-N 237.734 3.713 30 20 BHED C#C[C@H](CC)NC(=O)CC(C)(C)C1CCCCC1 793962203 NEPWFIFCAHEMOY-CQSZACIVSA-N 249.398 3.511 30 20 BHED C=CCC(C)(C)C(=O)OC/C=C\c1ccccc1 796474424 QMWNSISJNCREDI-FLIBITNWSA-N 244.334 3.845 30 20 BHED N#Cc1ccc(SCOC2CCCC2)cc1 808021922 FHJGKYVNXKIADW-UHFFFAOYSA-N 233.336 3.567 30 20 BHED C=CCCCCCCCNC(=O)[C@H](C)C(C)C 810767234 QWPPFTCNYZUZDK-CQSZACIVSA-N 239.403 3.921 30 20 BHED CCC[C@@H](C)C(CC)=NN[C@H](C)C(F)(F)F 834999740 HHIRQHSEVJFGEX-RKDXNWHRSA-N 238.297 3.729 30 20 BHED C=C(C)CON=C1CCC[C@H](c2cccnc2)C1 844617740 ALEIXTOCKGSZMJ-ZDUSSCGKSA-N 244.338 3.688 30 20 BHED Cc1ccc([C@@H](C)C=NNC2CCCC2)cc1 863090011 SIITZHRBMRJGOW-ZDUSSCGKSA-N 230.355 3.617 30 20 BHED CCOc1ccc(NC[C@H](C)CCC#N)c(C)c1 876820508 YTNPNGRFDMJONS-GFCCVEGCSA-N 246.354 3.746 30 20 BHED CCCCCCCCCC(=O)O[C@@H](C)C#N 919223417 WRFJPPKOPITQBB-LBPRGKRZSA-N 225.332 3.582 30 20 BHED Fc1ccc(CNN=C2CCC3(CC2)CC3)cc1 1320855775 HTMDIYPQDGLVHF-UHFFFAOYSA-N 246.329 3.626 30 20 BHED C=CCC1(C(=O)NC/C=C\C2CC2)CCCCC1 1331158825 YXBGXRUPGKBVOP-SREVYHEPSA-N 247.382 3.595 30 20 BHED C=C(Cl)CSc1ncc(C(C)(C)C)[nH]1 1641340117 NNJPDHROKCHKPU-UHFFFAOYSA-N 230.764 3.552 30 20 BHED C=C(Cl)COc1ccc(C(C)C)cc1 70233671 IUDWBAXTAUNWDH-UHFFFAOYSA-N 210.704 3.941 30 20 BHED C[C@@H]1CCC[C@H](CNc2cccc(F)c2C#N)C1 89605660 ABYPWIPJAGVKKP-NEPJUHHUSA-N 246.329 3.936 30 20 BHED CCCCCCCCC(=O)Nc1ccncc1 104984019 ZKUXAPPKOMPJIK-UHFFFAOYSA-N 234.343 3.771 30 20 BHED CC[C@@H](C#N)Sc1cc(C)c2ccccc2n1 127104365 YNWLCTLNORVHKE-NSHDSACASA-N 242.347 3.938 30 20 BHED C=CCC[C@H](C)Nc1ccc(NC(=O)OC)cc1 130613003 BVIXLRZKZGDLCQ-NSHDSACASA-N 248.326 3.632 30 20 BHED CCCCCCCC(=O)Nc1ccncc1F 132406473 ZJGCRIPRAMRDOA-UHFFFAOYSA-N 238.306 3.520 30 20 BHED C=C(C)CNc1nc(C(F)F)nc2ccccc12 160595269 KZCFGLUQEPESJR-UHFFFAOYSA-N 249.264 3.555 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cc2cccc(OC)c2o1 164612744 DMMLFKHAANBNKT-GHMZBOCLSA-N 245.322 3.667 30 20 BHED Cc1ccc(C(=O)/C=C/c2scnc2C)s1 172816527 HROMWOFHEUBTMT-GQCTYLIASA-N 249.360 3.718 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1cccc(C)c1C 182659366 SWCLOWSJIUYFQN-CYBMUJFWSA-N 245.366 3.778 30 20 BHED CC#CCCCC(=O)N1CCC[C@H]1[C@@H](C)CCC 185889519 LKLJJLBARYZSPF-GJZGRUSLSA-N 249.398 3.607 30 20 BHED C=CCCCCCn1nc(C2CC2)nc1C1CC1 195393617 MCTGLPYHGMLIIO-UHFFFAOYSA-N 245.370 3.779 30 20 BHED C=CCSCCN[C@@H](C)c1ccc(CC)cc1 221943927 DIMVBCXABDXIIE-ZDUSSCGKSA-N 249.423 3.819 30 20 BHED C[C@H]1C[C@H](C)CC[C@@H]1Nc1ccc(C#N)cc1 226187004 MLWBHSLQAKLDQD-XUJVJEKNSA-N 228.339 3.795 30 20 BHED CN(CCC(C)(C)C#N)[C@@H]1CCc2ccccc21 266009967 NBUOHZLRLJIMOA-OAHLLOKOSA-N 242.366 3.546 30 20 BHED C=CCC[C@@H](NCCC1CCC1)C1CC1 309021655 XMYXMTIBQCPTJJ-CQSZACIVSA-N 207.361 3.511 30 20 BHED C#CCCCN[C@@H](C)c1c(F)cccc1Cl 309343403 XUVRDZHTDZMTSG-JTQLQIEISA-N 239.721 3.543 30 20 BHED Cc1cccc(NC2CCC(C)(C#N)CC2)c1 336215643 MSNZPEGZHHQLKA-UHFFFAOYSA-N 228.339 3.879 30 20 BHED Cc1ccc(F)c(CNCC(C)(C)CCC#N)c1 342295565 QABFOAKQCKZJAE-UHFFFAOYSA-N 248.345 3.554 30 20 BHED Cc1ccc(F)cc1/C=C/c1ccncc1C#N 349102887 BMNLAIZHDBLNFJ-ONEGZZNKSA-N 238.265 3.571 30 20 BHED C=CC[C@H](C)N[C@@H](c1ccc(C)o1)C1CCC1 349506038 USVXNVIOAJOZNT-XHDPSFHLSA-N 233.355 3.983 30 20 BHED C=CCCNc1ccc(C(=O)C2CCC2)cc1 357177610 UZQYPFPLYHOMDZ-UHFFFAOYSA-N 229.323 3.657 30 20 BHED CC(C)(C#N)CCN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 394195899 MAKYZQQDEYOTRZ-DVOMOZLQSA-N 248.414 3.731 30 20 BHED C=CCCCCCCNCc1ccnn1C(C)C 394583342 CUKVDQMLZSGGMG-UHFFFAOYSA-N 249.402 3.690 30 20 BHED C=CC1CCN(C(=O)[C@H]2CCC[C@@H]2CCC)CC1 448952159 DWENWPVHIFSPJS-GJZGRUSLSA-N 249.398 3.627 30 20 BHED CCC[C@@H](N[C@H]1CC[C@@H](CC#N)C1)C(C)(C)C 453285603 BXGMTSALFHTZHP-MELADBBJSA-N 236.403 3.873 30 20 BHED C=CCC[C@@H](NCc1cnc(C)cc1C)C1CC1 453354494 JVXCAHUXKOBOOE-MRXNPFEDSA-N 244.382 3.533 30 20 BHED C=C(C)CCNC1CC(C)(c2ccccc2)C1 459582470 RTLDTVBWLLMPNK-UHFFFAOYSA-N 229.367 3.663 30 20 BHED CC[C@H](CC#N)N[C@@H]1CCC[C@H]1CCC(C)C 468474445 FXPBLEYIZLCJJB-RRFJBIMHSA-N 236.403 3.873 30 20 BHED C=CCCCC(=O)N(C)C1CCC(CC)CC1 479504920 RCBXJVAGTFSHOX-UHFFFAOYSA-N 237.387 3.770 30 20 BHED C[C@H](C#N)CN(C)Cc1ccc(C2CCC2)cc1 507578938 BFGLJHZNRZXPKT-CYBMUJFWSA-N 242.366 3.546 30 20 BHED CCC(CC)N(CC)Cc1ccccc1C#N 520281431 XGYUDWFTJFEVRM-UHFFFAOYSA-N 230.355 3.569 30 20 BHED C[C@@H]1CCN(CCC(C)(C)C#N)[C@@H]2CCCC[C@H]12 537364547 WMIQGLDNGCOZBI-RBSFLKMASA-N 248.414 3.827 30 20 BHED C=CCCOCCN[C@H](CC)C1CCCCC1 537952031 NODMTBFTJIMHKB-OAHLLOKOSA-N 239.403 3.528 30 20 BHED C=CCOCCSc1ccc2ccccc2n1 549299167 CUJBRARTLPDZRN-UHFFFAOYSA-N 245.347 3.530 30 20 BHED Cc1cc(S[C@@H](C)CCC#N)ccc1C#N 570514992 YEMJFWRNEQZVBS-NSHDSACASA-N 230.336 3.651 30 20 BHED N#Cc1ncccc1SCCC1=CCCCC1 584479681 CKQBOZWGPLLUNM-UHFFFAOYSA-N 244.363 3.936 30 20 BHED CC(C)(CC#N)CSc1ccc2c(c1)CCO2 594904825 DEHYQOHGNIKNFJ-UHFFFAOYSA-N 247.363 3.653 30 20 BHED CC(C)(C#N)CCCCN1C[C@@H]2CCCC[C@@H]21 595567852 RKWCAJWZPDKRFA-KBPBESRZSA-N 234.387 3.581 30 20 BHED C[C@@H]1CCCC[C@@H]1Sc1ccc(C#N)cn1 600520898 HPBFYJWWGGNIKS-PWSUYJOCSA-N 232.352 3.624 30 20 BHED C[C@@H](CCC#N)CN[C@@H](C)CC1CCCCC1 602636159 HCAZAKIQBZFTAG-KBPBESRZSA-N 236.403 3.875 30 20 BHED C=CCCNCc1csc(Cl)c1Cl 657583947 USUMVQSHIPKCNM-UHFFFAOYSA-N 236.167 3.721 30 20 BHED C=C(C)CN(CC)C[C@@H](CC)CC(F)F 659829443 RAASCWILMDXCEW-NSHDSACASA-N 219.319 3.566 30 20 BHED CC(C)C(CN[C@H](C)CC(C)(C)C#N)C(C)C 709960093 PDDUNOJVVHLDRR-CYBMUJFWSA-N 238.419 3.833 30 20 BHED C=CCCCOC(=O)[C@@H](c1ccccc1)C(C)C 745551498 KQIIIRCQUMFXML-OAHLLOKOSA-N 246.350 3.936 30 20 BHED C=C(Cl)CN(C)Cc1ccc(Cl)c(F)c1 762926642 CRRYHPIRHGLWDO-UHFFFAOYSA-N 248.128 3.663 30 20 BHED CC(C)[C@H]1CCCCC1=NNc1ccc(F)cn1 764686884 NDEGAYBRKKGEGD-GFCCVEGCSA-N 249.333 3.835 30 20 BHED CC[C@@H](C)C=NNc1nc2ccccc2cc1C 776784676 MYZWRVQSWGNSPK-LLVKDONJSA-N 241.338 3.987 30 20 BHED C=CCC(C)(C)C(=O)Oc1ccccc1C 796713337 RNFJKLZATSKADS-UHFFFAOYSA-N 218.296 3.503 30 20 BHED C=CC[C@@H](CC)NC(=O)/C=C/C1CCCCC1 798554729 STCITQGBPSAVAP-GCZGRYASSA-N 235.371 3.594 30 20 BHED CC(=NNCC1CCCC1)C1CCCCC1 808006569 VVZKXJQHXQJAMD-UHFFFAOYSA-N 222.376 3.722 30 20 BHED C(=NOCCC1CC1)[C@H]1CCc2ccccc21 814246836 ZXQPVCLBXHKJIE-CQSZACIVSA-N 229.323 3.519 30 20 BHED CCCCCCCCC[S@@](=O)CC1CC1 840885781 YTCGDZMBPWXQLI-OAHLLOKOSA-N 230.417 3.896 30 20 BHED N#CC1(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CCC1 841897979 JPUYKMKXJWVVOV-RBSFLKMASA-N 246.398 3.629 30 20 BHED C=C[C@@H](C)ON=C[C@H](CC)c1ccccc1 844619516 ALIXGCGMEBNBLO-OLZOCXBDSA-N 217.312 3.757 30 20 BHED CC[C@@H](C)NN=C1CCC(=C2CCC2)CC1 853336963 AGBZKXIBEPKJFK-LLVKDONJSA-N 220.360 3.785 30 20 BHED C#CCCOC(=O)Oc1ccccc1[C@H](C)CC 858878486 UXMILQIFYFDSOE-GFCCVEGCSA-N 246.306 3.739 30 20 BHED C=C1CCC(C(=O)N(C2CCC2)C2CCC2)CC1 891144047 BKTUVVKAWVHLCO-UHFFFAOYSA-N 247.382 3.666 30 20 BHED C=C[C@@H](CC)CC(=O)NC[C@@H](C)c1ccccc1 929367027 JXDNQOIZFURNHS-KGLIPLIRSA-N 245.366 3.509 30 20 BHED Cc1cc(NC2CCCCCCC2)ncc1C#N 1184589607 IPBSROCOGKOKMA-UHFFFAOYSA-N 243.354 3.787 30 20 BHED C=CC(C)(C)CC(=O)N1CC[C@@H]2CCCC[C@H]2C1 1262012586 AHPQVHCTKHVPFI-KBPBESRZSA-N 249.398 3.627 30 20 BHED CC(C)O[C@@H](C=NOC(C)(C)C)c1ccccc1 1324798094 OYWLZMCNTXLHIR-AWEZNQCLSA-N 249.354 3.954 30 20 BHED CCCC(CCC)=NNc1cccc([N+](=O)[O-])c1 7950159 AKFAVHIHTRNFIR-UHFFFAOYSA-N 249.314 3.963 30 20 BHED N#Cc1ccc(NC2CCCCC2)cc1Cl 37393198 CYNPGFFFYOWGKH-UHFFFAOYSA-N 234.730 3.956 30 20 BHED C[C@H]1CCC[C@H]1Nc1cc(Cl)ccc1C#N 70832519 FUTDXHWHCCNHHQ-JOYOIKCWSA-N 234.730 3.812 30 20 BHED Cc1cc(C)cc(CN(CC#N)C2CCCC2)c1 78003470 FQJHEOLISHZDQK-UHFFFAOYSA-N 242.366 3.572 30 20 BHED CC(C)(C#N)CCCSc1cccc(O)c1 126989193 FJOJHORORIEIPK-UHFFFAOYSA-N 235.352 3.814 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc(C)cc1OC 163335815 BEWZVKVBQDLJLT-CHWSQXEVSA-N 233.355 3.619 30 20 BHED C=C(C)CN(C)C(=O)C[C@H](CC)c1ccccc1 180435331 OYCFUUFEMKRCLC-AWEZNQCLSA-N 245.366 3.605 30 20 BHED Cc1occc1SCc1cccc(C#N)c1 181285895 RKKYAWZJCYXKAH-UHFFFAOYSA-N 229.304 3.752 30 20 BHED C=CCC[C@@H](Nc1ccc(COC)cc1)C1CC1 193418078 DANZAWXEUPASGJ-MRXNPFEDSA-N 245.366 3.990 30 20 BHED C[Si](C)(C)CSc1ccc(C#N)cc1 199524101 LNZUATWNERUNLY-UHFFFAOYSA-N 221.401 3.528 30 20 BHED C[C@@H]1CC[C@H](N[C@H](CCC#N)c2ccccc2)C1 246544140 WBYPPNOBQWOHCW-VNQPRFMTSA-N 242.366 3.810 30 20 BHED C=CCCCS[C@H](C)c1cccnc1 289331245 CSYPEGUHSXZLOF-LLVKDONJSA-N 207.342 3.842 30 20 BHED N#Cc1ccc(NCC2(C3CC3)CCC2)cc1 301780547 IPFINLZPLDOHBF-UHFFFAOYSA-N 226.323 3.550 30 20 BHED CC[C@H](N[C@H](C)c1ccc(C#N)cc1)[C@H]1C[C@H]1C 322007653 IAYMBKGTQBQWAV-MPTQWLOMSA-N 242.366 3.643 30 20 BHED N#CC1(CSCc2ccc(F)c(F)c2)CC1 344460106 LHKJQIOUNFCRKM-UHFFFAOYSA-N 239.290 3.502 30 20 BHED C[C@@H]1CCC[C@@H](CSCC2(C#N)CC2)C1 344474663 XOSUISXWLPRDJU-VXGBXAGGSA-N 223.385 3.850 30 20 BHED CC[C@H](NCC1(CC#N)CC1)c1cccc(C)c1 353587839 JFRLWWSZIDPOGD-HNNXBMFYSA-N 242.366 3.730 30 20 BHED C=C(CC)CN(C)[C@H]1CC[C@H](SCC)C1 358498761 MWGAHHXBAJSSOZ-STQMWFEESA-N 227.417 3.559 30 20 BHED N#CCCCNCc1ccc(C2CCCC2)cc1 361117648 MNHAOMRNSZZTCY-UHFFFAOYSA-N 242.366 3.738 30 20 BHED C=C(C)CNc1cc(Cl)c(OC)c(Cl)c1 389972603 CTCPDIKLYKBAOL-UHFFFAOYSA-N 246.137 3.990 30 20 BHED C[C@@H](CCC#N)Sc1ccc2c(c1)CCC2 412993275 XITNWAQMSSZPGL-NSHDSACASA-N 231.364 3.960 30 20 BHED N#CC1(COc2ccc3c(c2)CCCC3)CCC1 418937260 OAQMFCUKBFQATG-UHFFFAOYSA-N 241.334 3.638 30 20 BHED CC[C@@H](CS[C@H](C)c1cccc(C#N)c1)OC 419470450 YAHVAYDOXQPOEM-RISCZKNCSA-N 249.379 3.777 30 20 BHED Cc1ccc(C)c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 424135703 ZRQITGVJWLGOLV-SOUVJXGZSA-N 242.366 3.646 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 424786663 UBAAZVWAHFOHAJ-JHJVBQTASA-N 237.387 3.530 30 20 BHED CC(C)CC[C@H]1CCC[C@H]1NCC1(CC#N)CC1 430720965 BIMDPOFARXUPPU-HUUCEWRRSA-N 248.414 3.875 30 20 BHED C=CCCCN[C@@H]1CCC[C@@H]1c1ccccc1 446003590 QEKVSMRLEORAQE-HZPDHXFCSA-N 229.367 3.879 30 20 BHED C=CCCCCCS[C@@H]1CCO[C@@H]1C 447291824 ZIDNRQJUAFFKBF-VXGBXAGGSA-N 214.374 3.643 30 20 BHED CC[C@@H](F)CNc1ccc(CC#N)cc1Cl 453123553 HCUDEQPUEBQUQD-SNVBAGLBSA-N 240.709 3.566 30 20 BHED CC[C@@H]1CCCN(c2c(Cl)cccc2C#N)C1 462923839 DXDXLFHKWGKKQJ-LLVKDONJSA-N 248.757 3.838 30 20 BHED N#CCc1ccc(N[C@H]2CCC[C@H]2C2CC2)cc1 468476690 WRKGBXLCTIPGII-HOTGVXAUSA-N 240.350 3.743 30 20 BHED C=C(C)CN(C)C(=O)c1ccccc1C(C)(C)C 479285503 ULIVVQQRWMENLC-UHFFFAOYSA-N 245.366 3.632 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@H](C)CCCC 489856858 HXWBFQPLVNNTKY-LBPRGKRZSA-N 225.376 3.531 30 20 BHED CC(C)(C)[C@H]1CCCN1Cc1cccc(C#N)c1 514084582 QUSHPDCWUMUORZ-OAHLLOKOSA-N 242.366 3.569 30 20 BHED C=CCN(CC=C)Cc1cc(F)ccc1Cl 527324508 MWFPQZFIPZMVJG-UHFFFAOYSA-N 239.721 3.653 30 20 BHED C=CCC[C@@H](C)Nc1cnn(CC(C)C)c1C 543625734 NZJWGTFDTPIKLE-GFCCVEGCSA-N 235.375 3.614 30 20 BHED C=C(C)CN1CC[C@@H](C)c2ccccc21 549938828 MXAJYKSEEOUNAQ-GFCCVEGCSA-N 201.313 3.576 30 20 BHED CCC[C@@H]1CCCC[C@@H]1N[C@H]1CC[C@H](C#N)C1 570586570 AWVYRUSCMUTTET-XGUBFFRZSA-N 234.387 3.627 30 20 BHED C=CCCCC[C@@H](C)N[C@H]1C[C@H](C)O[C@H](C)C1 582955764 HZGDYFQGBKSYQL-APIJFGDWSA-N 239.403 3.667 30 20 BHED N#CCC1(CNc2cccc(F)c2Cl)CC1 594704846 PTQFMHGUJGWOKY-UHFFFAOYSA-N 238.693 3.585 30 20 BHED N#C[C@H](c1ccccc1)N1CCC2(CCC2)CC1 595484278 PFZWZWPNMCSQGT-OAHLLOKOSA-N 240.350 3.517 30 20 BHED CC(C)(C#N)CCSCC1CC=CC1 596363513 HOJDCKYJAKECDV-UHFFFAOYSA-N 209.358 3.626 30 20 BHED C=CC[C@H]1CCCN(C(=O)CC2=CCCCC2)C1 617784033 MBUHBIDPLRNVRR-HNNXBMFYSA-N 247.382 3.692 30 20 BHED CC1(C)CCC[C@H](N[C@H]2CCC[C@H](C#N)C2)C1 618577534 LOOPPLLLJZALCR-IHRRRGAJSA-N 234.387 3.627 30 20 BHED C=CCC[C@H](CC)NCCc1ncc(C)cc1C 655808858 KHVNCSMRMVTYAV-HNNXBMFYSA-N 246.398 3.575 30 20 BHED C#CCCCCC(=O)Nc1ccc(C2CC2)cc1 692897737 KJPBRSIWJQUSNF-UHFFFAOYSA-N 241.334 3.696 30 20 BHED C[C@H](COc1ccc(C#N)cc1)C(C)(C)C 711182566 SNRBIZGPHFNFNL-LLVKDONJSA-N 217.312 3.619 30 20 BHED Oc1c(Cl)cc(Cl)cc1/C=N\C1CCC1 730464110 GXMQXANFFVSELX-NSIKDUERSA-N 244.121 3.670 30 20 BHED CCCCC(CC)=NNc1cccc(C(=O)O)c1 732924513 WFGGTUWKFBZUFP-UHFFFAOYSA-N 248.326 3.753 30 20 BHED C=CCC[C@H](NCc1c(C)cccc1F)C1CC1 747868768 GZSWONVFXAYHCW-INIZCTEOSA-N 247.357 3.969 30 20 BHED C=C[C@H](C)NC(=O)CCCCCCCCC 757013304 QZFKPLJTZZRKHW-ZDUSSCGKSA-N 225.376 3.818 30 20 BHED C[C@H](/N=C/c1cc(Cl)ccc1O)c1ccc[nH]1 760229024 MMQVRDCWHAOHES-VKPPLCHCSA-N 248.713 3.554 30 20 BHED CC(=NNc1ccccc1F)c1occc1C 767768304 XGRWJDMFHQZQJH-UHFFFAOYSA-N 232.258 3.563 30 20 BHED CC[C@@H](C)CON=CCCc1ccccc1 793159664 QGTOHTJJFNJGHR-CYBMUJFWSA-N 219.328 3.668 30 20 BHED CC[C@H](C)CON=C1CCC[C@@H]1CCCF 793162920 CZGVIUAXLZPOGZ-NWDGAFQWSA-N 229.339 3.955 30 20 BHED CC[C@@H](C)CON=C(C)CCc1ccco1 793164061 REIWTNQWRINFAZ-LLVKDONJSA-N 223.316 3.651 30 20 BHED CCc1cccc(C)c1NN=C(C)[C@H](C)COC 799494705 LOWCBZYVTVQMMD-GFCCVEGCSA-N 248.370 3.628 30 20 BHED CCCCCC(C)(C)CN[C@H]1CC[C@H](C#N)C1 799719038 DYMNMXFXIVOIAB-KBPBESRZSA-N 236.403 3.875 30 20 BHED C#CCCCCCC(=O)N(C)[C@H](C)CCCC 811960324 UDGIJMXSSQJADB-CQSZACIVSA-N 237.387 3.607 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C(/C)c1ccco1 831732675 MJPGOEDAPCSBIF-HHQWOOOKSA-N 247.338 3.544 30 20 BHED CCC(=NNc1ccc(F)cn1)C1CCCC1 834957094 SUBJUNXVYIGYRL-UHFFFAOYSA-N 235.306 3.589 30 20 BHED C=C[C@@H](C)ON=C(C)[C@@H](C)c1ccccc1 844621540 IZPIKGXJVBNVQT-VXGBXAGGSA-N 217.312 3.757 30 20 BHED C=CCN(Cc1cnc(Cl)s1)C(C)(C)C 852554434 MNEUDXKDDZMYNB-UHFFFAOYSA-N 244.791 3.583 30 20 BHED C=CC(C)(C)CC(=O)N1CCCC2(CCCC2)C1 879666038 RLMBNEHDRTUYRW-UHFFFAOYSA-N 249.398 3.772 30 20 BHED CCN(CC[C@@H]1C[C@@H](C)C[C@@H](C)C1)[C@@H](C)C#N 1174855208 ZDDYHHURAJDABU-LJISPDSOSA-N 236.403 3.683 30 20 BHED Cc1ccnc(SCc2ccc(C#N)s2)c1 1307396026 UFGISCFJFFWXKH-UHFFFAOYSA-N 246.360 3.616 30 20 BHED CCCC(CCC)=NNc1ccc([N+](=O)[O-])cc1 36274850 PLNYITGJRDBMBB-UHFFFAOYSA-N 249.314 3.963 30 20 BHED C[C@H](Nc1cccc(C#N)c1)C1CCCCC1 37203194 DFSYFFQWKIOJHJ-LBPRGKRZSA-N 228.339 3.939 30 20 BHED CC(C)(C)CNc1ccc(Cl)cc1C#N 52857550 XGJSQYZAECEIDT-UHFFFAOYSA-N 222.719 3.670 30 20 BHED C#CCCCCN[C@@H](C)c1sccc1C 90399053 CTUDLHBLISWILU-LBPRGKRZSA-N 221.369 3.511 30 20 BHED CCCCCCCCCNCc1cncs1 157445878 QDWCRCKJTBEMPB-UHFFFAOYSA-N 240.416 3.983 30 20 BHED CC[C@@H](C)CN(Cc1ccc(C#N)cc1)C1CC1 176931614 BYVQJZSYFKQMMW-CYBMUJFWSA-N 242.366 3.569 30 20 BHED C=CCCCN[C@@H](c1ccccc1)C1CC1 179693674 YNEYVXCWUNDDOI-HNNXBMFYSA-N 215.340 3.694 30 20 BHED CN(CC(C)(C)CCC#N)C1CCCCCC1 179794130 KCBMOHHUANFSFG-UHFFFAOYSA-N 236.403 3.971 30 20 BHED C#CCCCN[C@@H](CC)c1ccc(CC)cc1 224306233 OOXJAVGXENQFRS-INIZCTEOSA-N 229.367 3.703 30 20 BHED CC[C@H](c1ccccc1)N(CC)C[C@H](C)C#N 245727615 BSJUVNHXLSJNIT-UKRRQHHQSA-N 230.355 3.619 30 20 BHED CC(C)(C#N)CCCN1CC[C@H]2CCCC[C@H]2C1 250375363 ZHMRQJWLXXHTSM-CABCVRRESA-N 248.414 3.828 30 20 BHED N#Cc1cccc(Cl)c1NCc1ccccc1 301170174 FYMAHXHXDZOJBG-UHFFFAOYSA-N 242.709 3.824 30 20 BHED N#Cc1ccccc1OCc1sccc1Cl 304369282 UMGXXTUTLOYAJA-UHFFFAOYSA-N 249.722 3.852 30 20 BHED CCc1ccc(CNc2cc(C)cc(C#N)c2)o1 308113405 RYOIZUDBLLSEAQ-UHFFFAOYSA-N 240.306 3.634 30 20 BHED C=CCCCCCCNCc1cccc(C)c1O 310794362 RORNUJKCVQBXKR-UHFFFAOYSA-N 247.382 3.927 30 20 BHED CSc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 336585021 QMFFQAIMYDSXQZ-PWSUYJOCSA-N 232.352 3.513 30 20 BHED CCC(CC)CN(CCC#N)Cc1ccccc1 353437278 QNQNFPZCMCTYLG-UHFFFAOYSA-N 244.382 3.838 30 20 BHED C=C(Br)CSCCC(F)(F)F 378951018 PIPYJGUVVGNAFC-UHFFFAOYSA-N 249.095 3.581 30 20 BHED C#CC[C@@H](N[C@H](C)CCC)c1ccccc1 390554941 QBFXCJDTKYKHHI-UKRRQHHQSA-N 215.340 3.529 30 20 BHED C=CC[C@@H](CC)NCc1cccc(OCC)c1 393767849 QSUSXLNAKASDNA-CQSZACIVSA-N 233.355 3.530 30 20 BHED Cc1ccc(C)c(OCCCSCCC#N)c1 413009510 CVQUDFLGJDNTNM-UHFFFAOYSA-N 249.379 3.719 30 20 BHED CC(C)(CC#N)CNc1ccc(C#N)c(Cl)c1 413405849 JULZCYZCPMDWAP-UHFFFAOYSA-N 247.729 3.563 30 20 BHED C=CCCCC[C@@H](C)NC[C@H]1CC12CC2 417345297 XNRXVXCEXDUDGL-CHWSQXEVSA-N 207.361 3.511 30 20 BHED Cc1cccc(Cl)c1OCC1(C#N)CCC1 418896932 WJEBVCIRFPXGNG-UHFFFAOYSA-N 235.714 3.721 30 20 BHED C=C1CCN([C@@H](C)c2cccc(C)c2)CC1 441314922 YUDCZEUGKBQCOE-AWEZNQCLSA-N 215.340 3.708 30 20 BHED CC(C)[C@H]1CCCN(c2cccc(F)c2C#N)C1 443985337 GJYUBWMZWCYNFG-LBPRGKRZSA-N 246.329 3.570 30 20 BHED C=CCN(Cc1cccc(C#N)c1)c1ccccc1 530495731 IUAOZPYOJSUCPF-UHFFFAOYSA-N 248.329 3.751 30 20 BHED Cc1cc(SC2CCC2)ccc1C#N 583440805 XLGMMLWYHCDOPB-UHFFFAOYSA-N 203.310 3.511 30 20 BHED CC(C)CCc1ccc(NCCC#N)cc1 583748823 ZWZARBVGWFNRIT-UHFFFAOYSA-N 216.328 3.601 30 20 BHED C[C@@H](CCC#N)CN[C@@H](C)CCC(C)(C)C 602556303 KIDOWQYPZWHPPV-STQMWFEESA-N 224.392 3.731 30 20 BHED C[C@H](CC#N)NC1c2ccccc2-c2ccccc21 609030787 KFQIERGOFUPBCO-GFCCVEGCSA-N 248.329 3.648 30 20 BHED CC(C)(C#N)CCN(C1CCCCC1)C1CC1 611462607 XGTUWYAIMPLYNZ-UHFFFAOYSA-N 234.387 3.723 30 20 BHED C=CCCCN1CC[C@H]1c1cccc(F)c1 674008785 CUFFAEKSJJFDTE-AWEZNQCLSA-N 219.303 3.539 30 20 BHED C[C@H](CCC#N)N[C@H](C)C1CCCCCC1 695813131 RVHIPHWURYSYRD-CHWSQXEVSA-N 222.376 3.627 30 20 BHED CCCCCCCC(=O)N(C)C[C@@H](C)CC 731998681 ZKQDBQGCYDECRO-ZDUSSCGKSA-N 227.392 3.851 30 20 BHED CCCC[C@@H](CC)CON=C1CCCOCC1 760556245 ZYWXFRWLNASMFW-CYBMUJFWSA-N 241.375 3.776 30 20 BHED CC1=CCC[C@@H](C)[C@H]1C=NOCC(C)C 773208703 NUKGTZOAHJNJEO-OLZOCXBDSA-N 209.333 3.637 30 20 BHED CCCCCCCCO[C@@H](C)Cc1ncc[nH]1 782914075 YZRFDGVCGABNSR-ZDUSSCGKSA-N 238.375 3.718 30 20 BHED CC(=NN[C@@H](C)C(C)(C)C)c1cc(C)oc1C 793112094 PCUJDLLSXNHPNE-LBPRGKRZSA-N 236.359 3.645 30 20 BHED COc1ccccc1CON=C(C)CCC1CC1 799117949 PSDBVPOSBALGSK-UHFFFAOYSA-N 247.338 3.778 30 20 BHED C=CCCCCCCNC(=O)CCC1CCC1 805219041 SZXXAHNNBNLCSQ-UHFFFAOYSA-N 237.387 3.819 30 20 BHED Cc1ccc(C2CC(=NOC/C=C\Cl)C2)cc1 811669152 COGUJZBMKWOVHQ-JKZIIKODSA-N 249.741 3.998 30 20 BHED Fc1ccc(Cl)cc1C=NOC/C=C\Cl 811671722 UZBZUUPIRCNNQA-YHHAPTPFSA-N 248.084 3.582 30 20 BHED CCC[C@H](C)C(CC)=NOCCOC(C)C 812237455 AVOPVLUTIQBWOD-LBPRGKRZSA-N 229.364 3.630 30 20 BHED C[C@H](CC=NOCC1CC1)c1ccccc1 814244488 WGSXKTQTKCYLIZ-GFCCVEGCSA-N 217.312 3.593 30 20 BHED C[C@H]1CCCC1=NNc1ccc(F)c(F)c1F 814945202 PXZNNAKCZJMNQS-ZETCQYMHSA-N 242.244 3.692 30 20 BHED CC(Cc1coc2ccccc12)=NOC1CCC1 834979358 NRULTNLIHHNFNQ-UHFFFAOYSA-N 243.306 3.920 30 20 BHED FC(F)(F)c1sccc1C=NOC1CCC1 863114362 HTRMYSJRGFCIJE-UHFFFAOYSA-N 249.257 3.670 30 20 BHED N#CC1(CCCCOC(=O)CCC2CC2)CCC1 909012623 ORXVTEWEHIYRNX-UHFFFAOYSA-N 249.354 3.584 30 20 BHED CCCCCCCCOC(=O)c1cncs1 919040626 CAJDTWHZCDMWOP-UHFFFAOYSA-N 241.356 3.660 30 20 BHED Cc1cc(Sc2ccccc2C)ncc1C#N 1651411345 SWZLJXMWFIOSEY-UHFFFAOYSA-N 240.331 3.721 30 20 BHED CC1CC(COc2ccc(C#N)cc2Cl)C1 1652547457 IISIXUSEWFHZKV-UHFFFAOYSA-N 235.714 3.637 30 20 BHED C=C(C)CN(CC)C(=O)Nc1cccc(CC)c1 34378167 FXFBJDUTDGRPOB-UHFFFAOYSA-N 246.354 3.679 30 20 BHED CC[C@@]1(C)CCCN(CC(C)(C)CCC#N)C1 93459082 CLKOZXYUBCZBCC-HNNXBMFYSA-N 236.403 3.828 30 20 BHED C[C@@H]1CCC[C@@H](CNc2ccc(C#N)cc2)C1 108886753 LMDLUEJHLDRPLR-TZMCWYRMSA-N 228.339 3.796 30 20 BHED C=C(Cl)CSC1=Nc2ccccc2C1 118606061 MFIIRKWAYVBCSS-UHFFFAOYSA-N 223.728 3.758 30 20 BHED N#CCCCCN[C@@H]1CCC[C@H]1c1ccccc1 118966941 RVGJFKNQEMNOQG-JKSUJKDBSA-N 242.366 3.606 30 20 BHED CC#CCCOc1ccccc1SCC 154897355 QZHSUMYWGOESJS-UHFFFAOYSA-N 220.337 3.591 30 20 BHED C=CCCCC(=O)N1CCC[C@@H]1c1cccs1 175169925 ZJJSFNWREHQUCK-GFCCVEGCSA-N 249.379 3.768 30 20 BHED C=CCC(CC=C)C(=O)NC1(C)CCCCC1 177000315 KYWCSRLZZZCOTD-UHFFFAOYSA-N 235.371 3.594 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 180144460 DYGFUYSNICMOQX-KBPBESRZSA-N 242.366 3.954 30 20 BHED C[C@H]1CCC[C@H](NCc2ccc(C#N)s2)CC1 191112396 BYEKFNPQNZZKLY-RYUDHWBXSA-N 248.395 3.678 30 20 BHED C#CCCCCNCc1c(C)cc(C)cc1C 229743377 HOOPACSNLMLPNL-UHFFFAOYSA-N 229.367 3.505 30 20 BHED C[C@@H]1[C@@H](Nc2cccc(F)c2C#N)CCC[C@H]1C 252184295 QNZLUYNZDGFJPC-SUNKGSAMSA-N 246.329 3.934 30 20 BHED N#CCCCN[C@@H]1CCCC[C@@H]1c1ccccc1 273161312 KLAAREKFILCPBH-HZPDHXFCSA-N 242.366 3.606 30 20 BHED CC[C@@](C)(C#N)C(=O)O[C@H](C)c1cccc(C)c1 287329763 FVIYNLMBXDUCNE-DOMZBBRYSA-N 245.322 3.539 30 20 BHED C=CCCc1noc(-c2occc2C(C)C)n1 297283828 LKTALBBVAWGJEB-UHFFFAOYSA-N 232.283 3.572 30 20 BHED C[C@@H](NCCCC#N)c1cc2c(s1)CCCC2 346834253 OCQXQSSGOIQMBK-LLVKDONJSA-N 248.395 3.581 30 20 BHED C=CCN(Cc1cnc(C2CCC2)s1)C1CC1 350261968 GVKOVTPEDFWCQC-UHFFFAOYSA-N 248.395 3.561 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 356806919 MLKGEACOWSEJJG-MGPQQGTHSA-N 249.398 3.674 30 20 BHED C#C[C@@H](NCc1cscc1Cl)C(C)(C)C 380159472 BCQRZTYSEPQVBY-LLVKDONJSA-N 241.787 3.539 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)Cc1ccc(O)cc1 398132407 WHJCUAOGGQQCDN-KGLIPLIRSA-N 247.382 3.658 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H](C)CCCC 410009536 FZZAGNQVPHETME-STQMWFEESA-N 225.376 3.674 30 20 BHED N#CCCSCCc1ccc(Cl)cc1 413011427 CPESTVQJCMPBNG-UHFFFAOYSA-N 225.744 3.529 30 20 BHED CC(C)(CC#N)CNc1c(Cl)cccc1C#N 413409628 OTEDWDYKEPQEDJ-UHFFFAOYSA-N 247.729 3.563 30 20 BHED C=CCC[C@H](NCc1ccccc1F)C1CC1 439078789 PDZFZOMZZJRTQR-HNNXBMFYSA-N 233.330 3.660 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H](C)CCC=C(C)C 452540607 JUONBJLDLQMJGP-UKRRQHHQSA-N 237.387 3.840 30 20 BHED C=CCC[C@H](NCc1cnc(C)cc1C)C1CC1 453354487 JVXCAHUXKOBOOE-INIZCTEOSA-N 244.382 3.533 30 20 BHED C=CCCCC(=O)N(CC(C)C)C1CCCC1 475655076 HTFGQFOCFWKNKW-UHFFFAOYSA-N 237.387 3.770 30 20 BHED C=CCCCC(=O)Nc1cccc2c1CCCC2 479505915 WRBMUZVRIZEARV-UHFFFAOYSA-N 243.350 3.860 30 20 BHED C=C(C)CSCc1ccn(-c2ccccc2)n1 530871514 KJKWQENQJNTRSW-UHFFFAOYSA-N 244.363 3.682 30 20 BHED CCC1(CC)CCN(Cc2ccc(C#N)s2)C1 537631630 XGBLTNJXKWLPTM-UHFFFAOYSA-N 248.395 3.632 30 20 BHED CC(C)[C@@H]1CCC[C@@H](Nc2cnccc2C#N)C1 537655693 FEELAKVKLQFEFJ-TZMCWYRMSA-N 243.354 3.580 30 20 BHED C=CCC[C@@H](C)Nc1cc(F)cc(F)c1OC 542698120 DFTAGNIGVYKUSX-SECBINFHSA-N 241.281 3.740 30 20 BHED C=C(CC)COc1ccc(-c2nncs2)cc1 580545895 XDTVGWZCYNBJIT-UHFFFAOYSA-N 246.335 3.550 30 20 BHED Cc1cc(-c2ccccc2)ccc1N[C@H](C)C#N 603585157 QFUDBYZJZIWNOD-CYBMUJFWSA-N 236.318 3.986 30 20 BHED C=CC[C@@H](C)NC[C@H](C)c1ccc(C)cc1 628216374 LOMORIJXOGEFLG-UONOGXRCSA-N 217.356 3.653 30 20 BHED C=CCC(C)(C)CN[C@H]1CCCc2ncccc21 631634581 KZFCIZLRPCJKBI-HNNXBMFYSA-N 244.382 3.651 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C 648380959 KZQQCKNSLYYAPL-RWMBFGLXSA-N 237.387 3.530 30 20 BHED CC(C)CN(CCC#N)C[C@@H](C)C(C)(C)C 711155417 IQYMPXCTOWQTRD-CYBMUJFWSA-N 224.392 3.540 30 20 BHED C=CCCC(=NNc1cccc(C#N)c1)C1CC1 747751589 NAEYLIYPUZECLO-UHFFFAOYSA-N 239.322 3.702 30 20 BHED CC1(C)CCC[C@@H]1NN=C1CCC[C@@H]1CCF 794934865 ANNDAIXEFAPGMG-YPMHNXCESA-N 240.366 3.670 30 20 BHED COc1ccccc1CON=CC1CCCCC1 799119468 MPFKNAUICRUUBQ-UHFFFAOYSA-N 247.338 3.778 30 20 BHED CCC(C)=NNc1c(C)cccc1CC 799493835 RHYIOCJTHCNVEB-UHFFFAOYSA-N 204.317 3.755 30 20 BHED C[C@H](C#N)OCCSCCCC1CCCC1 802752866 VOEQWUBNUFOWKA-GFCCVEGCSA-N 241.400 3.619 30 20 BHED Fc1ccc(NN=CCCC2CC2)c(F)c1 807943993 UQPGBVLJUREHCC-UHFFFAOYSA-N 224.254 3.553 30 20 BHED Clc1ccccc1NN=C1CC[C@@H]1C1CC1 814691213 RHACBPJNGOWNHA-SNVBAGLBSA-N 234.730 3.928 30 20 BHED CCCON=C(C)[C@H](C)c1ccccc1 842557016 MXMHQUQGPZYTPB-NSHDSACASA-N 205.301 3.593 30 20 BHED C=C[C@H](C)ON=C1CC(c2ccc(F)cc2)C1 844621246 FCKGRRGXUVCLAF-NUHJPDEHSA-N 233.286 3.650 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)Cc1cccnc1 897966821 HJKLHVHMUVSAGF-CABCVRRESA-N 246.398 3.737 30 20 BHED CCCCCCOC(=O)C1(C#N)CCCCC1 920116636 NMSGFNJRZZQPSG-UHFFFAOYSA-N 237.343 3.584 30 20 BHED C=C(Cl)CN1CCCc2ccc(C)c(C)c21 1171218416 ZYSGQZDAJKMJGY-UHFFFAOYSA-N 235.758 3.809 30 20 BHED CC[C@@H]1CCC[C@@H]1CN[C@@H](C)CC(C)(C)C#N 1181846250 YWUJZDBXOFDFQD-BFHYXJOUSA-N 236.403 3.731 30 20 BHED Cc1cnccc1SCc1ccc(C#N)s1 1189391878 OSKAEDRESVLURL-UHFFFAOYSA-N 246.360 3.616 30 20 BHED C=C(C)CCC(=O)N(C)C1CCCCCC1 1335609391 JFDIWCKEGNNLTG-UHFFFAOYSA-N 223.360 3.524 30 20 BHED CCCCCCCSCc1ncc(C)cn1 1342913647 NFIFUZZWMRKYGT-UHFFFAOYSA-N 238.400 3.989 30 20 BHED CC(C)CC(C)(C)CNc1ncc(C#N)cc1F 1651597648 AALHLZBTVWJSMD-UHFFFAOYSA-N 249.333 3.577 30 20 BHED CC[C@H](C)[C@H](C)Nc1ccc(CC#N)cc1 37071195 WGMLUYCKHDMYMB-RYUDHWBXSA-N 216.328 3.599 30 20 BHED CC(C)c1ccc(CN(CCC#N)C(C)C)cc1 42530680 OUAFVZHEVJIZLL-UHFFFAOYSA-N 244.382 3.934 30 20 BHED CCCC[C@H](CC)Nc1cccc(C#N)c1 68985482 OUUNFFPWBCWPDY-ZDUSSCGKSA-N 216.328 3.939 30 20 BHED C=CCCCOc1cccc(NC(=O)C(C)C)c1 77239748 IESHLZVTOKVGBL-UHFFFAOYSA-N 247.338 3.626 30 20 BHED Cc1cccc(C)c1COc1cccc(C#N)c1 96810202 ZWFVVSRYXZYUNW-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C[C@@H]1C/C(=C/c2cccnc2)C(=O)c2ccccc21 131136514 IXLHVXAUGXHLNG-XTCQQWIJSA-N 249.313 3.855 30 20 BHED C=CCOc1ccc(CN[C@H](C)C(C)(C)C)cc1 134553316 VOIGAWBENTZVKU-CYBMUJFWSA-N 247.382 3.776 30 20 BHED CN(CC1CCCCC1)CC(C)(C)CCC#N 179937231 PZEAMMDLNZBSEE-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C=CCN(CC=C)Cc1ccc(C(F)F)cc1 183925322 KYIKWIDPIDVKOC-UHFFFAOYSA-N 237.293 3.798 30 20 BHED CCc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 185723582 WRJCEJHUKGBOMG-ZFWWWQNUSA-N 228.339 3.743 30 20 BHED CC#CCCCC(=O)N1CCC[C@H]1CCC(C)C 185889298 ZWRRSZIJEHSCOC-HNNXBMFYSA-N 249.398 3.607 30 20 BHED N#CCCCSCc1cc(F)ccc1F 190916582 QAENNFVPODVRQP-UHFFFAOYSA-N 227.279 3.502 30 20 BHED CC(C)C[C@H]1CCC[C@H](NCC(C)(C)C#N)C1 230775390 GFJYIVLBLZNKFM-KGLIPLIRSA-N 236.403 3.731 30 20 BHED CC(C)C[C@@H](C)COc1ccc(C#N)c(F)c1 304197397 XQYVQWYNWUMESV-LLVKDONJSA-N 235.302 3.758 30 20 BHED C=C[C@H](C)N[C@@H]1CC(C)(C)c2ccccc21 309507389 WHRPLHJMXXCQAK-SMDDNHRTSA-N 215.340 3.573 30 20 BHED C=C[C@@H](C)Nc1ccc2ccc(Cl)cc2n1 309769818 KENMFCYGJBUHKM-SECBINFHSA-N 232.714 3.875 30 20 BHED C=C(CC)CNc1ccc(-n2ccc(C)n2)cc1 340619734 KVMQMYDDSXTJCP-UHFFFAOYSA-N 241.338 3.559 30 20 BHED CC(C)C[C@H](NCC1(C#N)CC1)c1cccs1 347620082 XVVSQDZJYIDMKK-LBPRGKRZSA-N 248.395 3.729 30 20 BHED CC[C@@H](C)[C@H](C)NCCC1(C#N)CCCCC1 411470135 NTUPERSMXMCLDT-KGLIPLIRSA-N 236.403 3.875 30 20 BHED Cc1cc(SCC[C@@H]2CCCO2)ccc1C#N 516927088 WLFRKYWFOHWOPO-ZDUSSCGKSA-N 247.363 3.528 30 20 BHED C=CCN1CCCCC[C@H]1c1ccccc1 519220005 WITZRGTVPOLVEY-HNNXBMFYSA-N 215.340 3.790 30 20 BHED C=CCCN1CC(C)(C)[C@H]1c1cccs1 558178852 AMNKUVABINGXPO-GFCCVEGCSA-N 221.369 3.707 30 20 BHED CC1(C)CCN([C@@H]2CC[C@H](C#N)C2)CC(C)(C)C1 595748361 FXUZQZBBLZXHSG-UONOGXRCSA-N 248.414 3.827 30 20 BHED Cc1cccc(Cl)c1OCC1(CC#N)CC1 596258850 XUWIBAJJZMQLMN-UHFFFAOYSA-N 235.714 3.721 30 20 BHED C[C@@H](CCC#N)CN(C1CCCCC1)C1CC1 602440262 PCCPPWXWPCLEJM-ZDUSSCGKSA-N 234.387 3.723 30 20 BHED C[C@H](CCC#N)CN(C)[C@H](C)c1ccccc1F 602442052 SNIWKZGZBQSFAZ-CHWSQXEVSA-N 248.345 3.758 30 20 BHED C[C@H](CCC#N)CN[C@@H]1CCC(C)(C)C[C@H]1C 602572232 ZUBRHWLLAIZNMB-MGPQQGTHSA-N 236.403 3.731 30 20 BHED C[C@H]1CCC[C@@H]([C@H](C)NC[C@H](C)CCC#N)C1 602685531 ILJBPVLNCPAJIN-LJISPDSOSA-N 236.403 3.731 30 20 BHED Cc1ccc2ccccc2c1CN[C@H](C)CC#N 602862937 NAVNCFNUKVTRCN-CYBMUJFWSA-N 238.334 3.540 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H](C)C1CCCC1 620859021 VCNKCBWAGZTVSS-GFCCVEGCSA-N 237.387 3.674 30 20 BHED C=CCN(C/C(C)=C\c1ccccc1)C(C)C 768548274 ZYBFYJAOXYHDDP-QINSGFPZSA-N 229.367 3.986 30 20 BHED CC(C)c1nccnc1NN=CC1CCCCC1 773090002 DJXBNFVHOWFDGQ-UHFFFAOYSA-N 246.358 3.578 30 20 BHED C=C(CC)COC(=O)C1(c2ccccc2C)CC1 773506365 NWJOWUXMILARQI-UHFFFAOYSA-N 244.334 3.536 30 20 BHED C#CCCN[C@@H](C)c1ccc(SC(C)C)cc1 775350339 AHRSZKXVQOTRJJ-ZDUSSCGKSA-N 247.407 3.861 30 20 BHED CC(=NOCCC(F)(F)F)C1CCCCC1 777455316 FJPRXEGZARQWJB-UHFFFAOYSA-N 237.265 3.912 30 20 BHED C#CCCCCCC(=O)N1CCC[C@](C)(CC)C1 780591585 VEIQVZJHAMDRBM-INIZCTEOSA-N 249.398 3.609 30 20 BHED CC[C@@H](C)CON=CC1=Cc2ccccc2OC1 793160984 YSZBPXUJUMCAJW-GFCCVEGCSA-N 245.322 3.511 30 20 BHED CC(=NOC/C=C\Cl)c1cccc(Cl)c1 811667653 ACQVWLDIRCFNSN-NNKWFWPSSA-N 244.121 3.833 30 20 BHED CCC(=NOC/C=C/Cl)c1cccc(C)c1 811670846 GFUCJJPWKXAZLH-SHMZKZNGSA-N 237.730 3.878 30 20 BHED C=C(C)CCN[C@@H](C)c1c(C)cc(C)cc1O 834883956 VHEGJAWVNBTZPI-ZDUSSCGKSA-N 233.355 3.626 30 20 BHED CCC1(C(=O)OCCC2(C#N)CCCCC2)CC1 840257819 GGJAQLABMWSLNT-UHFFFAOYSA-N 249.354 3.584 30 20 BHED C=C(C)CON=C1CC(C)(c2ccccc2)C1 844617632 QFIPASMTWZXLMG-UHFFFAOYSA-N 229.323 3.687 30 20 BHED C[C@@H](CC(C)(C)C#N)OC(=O)/C=C1\CC[C@@H](C)C1 851209075 ICYZHYRQZIYDSI-DQSXNGOJSA-N 249.354 3.604 30 20 BHED CCC(C#N)(CC)C(=O)OC1CCCCCC1 860496266 APQIZVDBUHUQHF-UHFFFAOYSA-N 237.343 3.582 30 20 BHED C=CC(C)(C)CC(=O)N1C[C@@H](C)CCC[C@@H]1C 878956213 ICMJYYXJBGWNGC-STQMWFEESA-N 237.387 3.626 30 20 BHED C=CC(C)(C)CC(=O)N(C1CCCC1)C1CC1 887944457 IUBVUBVZVBPPDC-UHFFFAOYSA-N 235.371 3.522 30 20 BHED CCCCCCCC(C)=NNc1cnccn1 912962510 RAMGGIZXYRPRAZ-UHFFFAOYSA-N 234.347 3.625 30 20 BHED C=CCN(C(=O)Nc1cccc(C)c1C)C(C)C 916705004 LQZKKKRIDVKLTF-UHFFFAOYSA-N 246.354 3.732 30 20 BHED N#CC1(CSCCC(F)(F)F)CCCC1 917617238 SWMVLQVMOQLBII-UHFFFAOYSA-N 237.290 3.756 30 20 BHED C[C@H]1CCC[C@@H](C=NNCc2ccc(F)cc2)C1 1116436998 NKDGCENIEKZXRR-GXTWGEPZSA-N 248.345 3.727 30 20 BHED C=CCC[C@@H](CCC)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 1561013252 OJBAUUAZFMFBJP-ARILJUKYSA-N 221.388 3.755 30 20 BHED CC(C)C[C@H](C)C[C@H](C)NCC(C)(C)CC#N 1659422051 DRJYWAOSHBCVJO-KBPBESRZSA-N 238.419 3.977 30 20 BHED CC[C@@H]1CCC[C@@H](CN2CCC[C@@](C)(C#N)C2)C1 1663994595 PYJZCIKXASJEOM-OAGGEKHMSA-N 248.414 3.828 30 20 BHED C[C@@H](C#N)S[C@@H]1CCCc2ccccc21 68224547 CTUNDZQZQPRMRP-GXFFZTMASA-N 217.337 3.709 30 20 BHED C=C(Br)COc1cccc(Cl)c1 82419705 SWRYFNCNGSASJB-UHFFFAOYSA-N 247.519 3.627 30 20 BHED CC(C)c1ccccc1NCC1(CC#N)CC1 88249450 OOEUJIHLAGSWBT-UHFFFAOYSA-N 228.339 3.916 30 20 BHED CCC[C@@H](C)N[C@H](CCC#N)c1ccccc1 90664909 PJDVRFBDQLZLFZ-UKRRQHHQSA-N 230.355 3.810 30 20 BHED Cc1nsc(NC[C@H]2CCCC[C@@H]2C)c1C#N 92912435 FADNIZXINXXMNL-GXSJLCMTSA-N 249.383 3.561 30 20 BHED C=CC[C@H](C)NC(=O)c1cc2ccccc2s1 116850846 OERROBLHRBEREZ-JTQLQIEISA-N 245.347 3.596 30 20 BHED N#CCCOc1ccccc1Cc1ccccc1 121601308 PVWICRWXKZUOPC-UHFFFAOYSA-N 237.302 3.570 30 20 BHED CC[C@H](C#N)Sc1cc(C)c2ccccc2n1 127104601 YNWLCTLNORVHKE-LLVKDONJSA-N 242.347 3.938 30 20 BHED C=CCC[C@H](C)N[C@@H](C)COc1ccc(C)cc1 130570945 UNBADASNPXSOAJ-GJZGRUSLSA-N 247.382 3.707 30 20 BHED C=C(Cl)CN[C@H]1c2ccccc2CC[C@@H]1C 132263897 IAIQPSNZPCAZPB-IINYFYTJSA-N 235.758 3.652 30 20 BHED C=CCCN(C)[C@@H](C)c1ccc(C)cc1 132550895 MZWUSSWSGIAVEW-ZDUSSCGKSA-N 203.329 3.564 30 20 BHED CCCc1ccccc1NC(=O)[C@](C)(C#N)CC 136214736 OGQLMPRHRNQFDS-HNNXBMFYSA-N 244.338 3.517 30 20 BHED C=CCNc1ccccc1SC(C)C 150782674 UPRHMVHFKWADIL-UHFFFAOYSA-N 207.342 3.785 30 20 BHED C=C(C)COCCN[C@H](CC)c1ccc(C)cc1 163520104 AEUPYIQSAJWKCV-MRXNPFEDSA-N 247.382 3.628 30 20 BHED CC#CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CCC 185925665 UAKJLLVVGMQTBW-CABCVRRESA-N 249.398 3.607 30 20 BHED N#Cc1c(F)cccc1NC[C@H]1C[C@H]2CC[C@H]1C2 252668138 SKJJIRAEVAZUJP-SDDRHHMPSA-N 244.313 3.545 30 20 BHED N#C[C@@H]1CC[C@@H](Sc2ncccc2Cl)C1 278667459 XPORTEJFSJQDAD-RKDXNWHRSA-N 238.743 3.519 30 20 BHED C=CC[C@H](C)N[C@@H](c1ncc[nH]1)C1CCCCC1 285930294 CVOXUOUSTCCJCE-GXTWGEPZSA-N 247.386 3.585 30 20 BHED C#C[C@H](C)N[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 311184249 BIUHYIXXYGEQCY-XJNFMUPTSA-N 241.378 3.570 30 20 BHED CC(C)CC[C@@H](C)Nc1cccc(CC#N)c1 313487181 ZRNGKCPQZHTQDG-CYBMUJFWSA-N 230.355 3.989 30 20 BHED C=C(CC)CN[C@H](C)CCCC(F)(F)F 313494362 HKVYBAZTPIEBNG-SNVBAGLBSA-N 223.282 3.663 30 20 BHED CC(C)(CCC#N)CN[C@H](C1CC1)C(C)(C)C 324448300 WPKDLRCINNDCNS-CYBMUJFWSA-N 236.403 3.731 30 20 BHED CC(C)CCN[C@@H]1CCCc2cc(C#N)ccc21 341760474 ZFFMTUZGYAJJNH-MRXNPFEDSA-N 242.366 3.571 30 20 BHED C=CC[C@H](C)NCc1cc(C)cc(Cl)c1 382323032 UJUDYWJVTMHXIN-NSHDSACASA-N 223.747 3.703 30 20 BHED C=CCCCCCCN[C@@H]1CCO[C@@H](CC)C1 383781803 PGEOZQQRLGURMO-CABCVRRESA-N 239.403 3.670 30 20 BHED C=CC(C)(C)C(=O)Nc1cc(F)cc(Cl)c1 410578965 VTXWFPAPXNECPM-UHFFFAOYSA-N 241.693 3.630 30 20 BHED CC(C)=CCC[C@@H](C)Nc1ncc(C#N)cc1F 413311808 JAOLXTKSEPAVFK-LLVKDONJSA-N 247.317 3.639 30 20 BHED C[C@@H](CCC#N)N[C@@H](C)c1ccc(C2CC2)cc1 419341251 ODNQSUHZDFRMDV-STQMWFEESA-N 242.366 3.907 30 20 BHED N#C[C@H]1CC[C@@H](Sc2cc(F)ccc2F)C1 430107716 XXDWCZDKYQUQPM-WCBMZHEXSA-N 239.290 3.749 30 20 BHED Cc1c(Cl)cnc(N[C@@H]2CC[C@@H](C)C2)c1C#N 444003657 OEAIZLXYGDIMQZ-PSASIEDQSA-N 249.745 3.516 30 20 BHED CC[C@@H](NCC(C)(C)CC#N)c1ccccc1F 459738166 XPRLUOCXGHAKRK-CQSZACIVSA-N 248.345 3.806 30 20 BHED CC#CCCN1CC[C@H](c2ccccc2)[C@@H](C)C1 462315260 MFEDOBLCMSKNSA-RDJZCZTQSA-N 241.378 3.525 30 20 BHED C=CCOCCCOc1ccc(C)cc1Cl 478786472 JHWNFHXXMUMPNP-UHFFFAOYSA-N 240.730 3.620 30 20 BHED C=C(C)CN(CC)[C@H](C)c1ccccc1C 488492591 LPUAJQJFKQGLHK-CQSZACIVSA-N 217.356 3.954 30 20 BHED C=C[C@@H]1CCCCN1Cc1csc(C2CC2)n1 489514055 QALJSNAAABBEOU-CYBMUJFWSA-N 248.395 3.561 30 20 BHED C=C(CC)Cn1cc(-c2ccccc2)cn1 537993298 KRPZGDFMRHAVLN-UHFFFAOYSA-N 212.296 3.516 30 20 BHED C=CCC(C)(C)c1noc(-c2sccc2C)n1 551498353 XNQYSISHIJIZNW-UHFFFAOYSA-N 248.351 3.960 30 20 BHED C=CC1CCN(C(=O)[C@@H]2CCC(C)=C(C)C2)CC1 564998904 BMKFZCWFKBEODC-OAHLLOKOSA-N 247.382 3.548 30 20 BHED C=CCCCN1CCC[C@@H]1c1cccs1 605149632 HTIYXWBZNMQRIW-GFCCVEGCSA-N 221.369 3.851 30 20 BHED CCCCCCCC(=O)NC(C)(C)C(C)C 728005574 WEMSLMBVMJDPAP-UHFFFAOYSA-N 227.392 3.898 30 20 BHED C=C(C)CCOC(=O)c1cc(C)n(C(C)C)c1C 744304758 BVVGTXDQVVXYAV-UHFFFAOYSA-N 249.354 3.809 30 20 BHED CCCCCC[C@H]1CCCC1=NNC1CC1 758134514 ZVPHVJMOILVAEH-LBPRGKRZSA-N 222.376 3.865 30 20 BHED C[C@@H]1CC(C)(C)CCC1=NOCC(F)(F)F 764847059 MFZAYDSFTYMRMQ-MRVPVSSYSA-N 237.265 3.768 30 20 BHED CC(=NNC1CCCCC1)c1sccc1C 786042078 JOCLQGXIVCWCDJ-UHFFFAOYSA-N 236.384 3.703 30 20 BHED Fc1cccc(NN=C2CCC23CCCC3)c1 788714441 JFOJOTCFIRSLFE-UHFFFAOYSA-N 232.302 3.948 30 20 BHED CC[C@@H](C)NN=Cc1ccc(Cl)c(Cl)c1 790188790 LGUCZJUMSUIZMI-MRVPVSSYSA-N 245.153 3.715 30 20 BHED CC[C@H](SCCO[C@@H](C)C#N)c1ccccc1 801657934 LWHGKNLGDFPSBU-JSGCOSHPSA-N 249.379 3.800 30 20 BHED CCC(C[C@@H](C)CC)=NOC/C=C\Cl 811671214 CLAJCSBPPGLZJE-DCQFIAQRSA-N 217.740 3.958 30 20 BHED CC(=NOCCC1CC1)c1cc(C)ccc1C 814246959 KCQDWHNOYIDNFZ-UHFFFAOYSA-N 231.339 3.844 30 20 BHED COc1ccc(NN=Cc2ccsc2C)cc1 814884991 IBAPDJDIVIEQHE-UHFFFAOYSA-N 246.335 3.511 30 20 BHED C#CCCCCCC(=O)N[C@@]1(C)CCCC[C@H]1C 837255047 TUVRDZTVTIAFNN-ZBFHGGJFSA-N 249.398 3.655 30 20 BHED CCCCCCSCC1(CC#N)CC1 853772113 IMNRIDBOKCPEBA-UHFFFAOYSA-N 211.374 3.994 30 20 BHED C=CC(C)(C)CC(=O)N1CCC[C@@](C)(CC)C1 879016359 MNNNYGNJYNASKG-OAHLLOKOSA-N 237.387 3.627 30 20 BHED Cc1ccc(NN=C2CC3(CCCC3)C2)nc1 901183337 NMSKGILJWDBTNK-UHFFFAOYSA-N 229.327 3.512 30 20 BHED Cc1cccc(NN=Cc2ccc(F)cc2)c1 916256261 SRVBJGASAPCRFF-UHFFFAOYSA-N 228.270 3.580 30 20 BHED Cc1cc(SCCC2CC2)ccc1C#N 1189584484 UTEBIOITROTMFD-UHFFFAOYSA-N 217.337 3.759 30 20 BHED Cc1cc(C)cc(COc2cccc(C#N)c2)c1 37975923 ISCGZDSSZCUSBK-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C=C(CC)COc1cc([N+](=O)[O-])ccc1Cl 87543508 ZSHSWBAAGZKDPJ-UHFFFAOYSA-N 241.674 3.593 30 20 BHED CC[C@H](CC#N)NCc1ccc(CC(C)C)cc1 94896368 MIGFIAXHQNEONP-MRXNPFEDSA-N 244.382 3.667 30 20 BHED CC[C@@H](CC#N)NC1CC(C)(C)CC(C)(C)C1 124798633 YDXIGABKKAIMAO-LBPRGKRZSA-N 236.403 3.873 30 20 BHED C=C(C)CNc1cccc(C)c1Br 131672710 DBLHKHUJOINATQ-UHFFFAOYSA-N 240.144 3.746 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cc(Cl)ccc1O 134931942 UNIPUWWTDQEGDK-VHSXEESVSA-N 239.746 3.661 30 20 BHED C=C[C@@H](C)NC1CCC(C(C)(C)C)CC1 157232743 ANKNKXITUXJLBJ-PNESKVBLSA-N 209.377 3.755 30 20 BHED C=CCCSCCC(=O)Nc1ccccc1C 173834034 RAUSODUDLVAJPR-UHFFFAOYSA-N 249.379 3.633 30 20 BHED C[C@@H](N[C@@H]1CCC12CCC2)c1ccc(C#N)cc1 282040167 FXVCOAIAUKPQKD-IUODEOHRSA-N 240.350 3.542 30 20 BHED C=CCCC[C@H](C)NCc1cn(C(C)C)nc1C 341374295 LEZBMEJAJKWUDQ-ZDUSSCGKSA-N 249.402 3.607 30 20 BHED C=CCC[C@H](NCCSC(C)(C)C)C1CC1 381364445 DRKHNDMQJFARGH-ZDUSSCGKSA-N 241.444 3.853 30 20 BHED C=CCCCN[C@@H](c1cccs1)C1CC1 389347307 VPMYBYRIOGXGKE-CYBMUJFWSA-N 221.369 3.755 30 20 BHED C=CC[C@H](CC)Nc1ccc([N+](=O)[O-])cc1F 393771032 JHZJSLMDQMNAJO-VIFPVBQESA-N 238.262 3.501 30 20 BHED CC(C)[C@H]1CCC[C@H]1NCc1ccc(C#N)s1 421352619 RCMXCVNIYMPWHR-ZIAGYGMSSA-N 248.395 3.534 30 20 BHED CCCC[C@@H]1CCC[C@H]1N[C@@H]1CC[C@H](C#N)C1 424336392 XXGDVWVRGDNKMD-GBJTYRQASA-N 234.387 3.627 30 20 BHED C=CC[C@H](C)[C@@H](C)Nc1ccc(F)c(OC)c1 437063162 FKRRUTKRYSADHS-WDEREUQCSA-N 237.318 3.847 30 20 BHED C=CCC[C@H](NCCc1ccccc1F)C1CC1 439080731 YWIGVBRJVACLIZ-INIZCTEOSA-N 247.357 3.703 30 20 BHED CC(C)CCCN(C)[C@H](C)c1cccc(C#N)c1 442886888 VFHVYFPSVLTXGW-CQSZACIVSA-N 244.382 3.987 30 20 BHED Cc1cc(CNCC2(C)CCCC2)ccc1C#N 443962187 MOEMFBMNOLWPRT-UHFFFAOYSA-N 242.366 3.537 30 20 BHED CC[C@@H](C)C[C@H](C)NC1CCC(C)(C#N)CC1 449168146 AHFLJJJHDACQSJ-DNDYEEKYSA-N 236.403 3.873 30 20 BHED C=CCCC[C@H](C)NC(=O)c1ccsc1C 450424086 KBMCGDXTHLEQBY-JTQLQIEISA-N 237.368 3.531 30 20 BHED C=C[C@@H](C)NC(=O)C[C@H](CC)c1ccc(C)cc1 465102383 LHYOBDYAWNJRRO-KGLIPLIRSA-N 245.366 3.569 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1ccoc1C(C)C 480617583 RUXDQUCZPCVDQY-GFCCVEGCSA-N 249.354 3.878 30 20 BHED C=C(C)C[C@@H](C)c1nc(CCC(C)C)no1 581216677 WETYMTPTPKPTEJ-LLVKDONJSA-N 222.332 3.728 30 20 BHED C=CC[C@H](C)[C@@H](C)NCCC1(CSC)CC1 595065965 HXQCVYPHSUZTJU-QWHCGFSZSA-N 241.444 3.710 30 20 BHED CC(C)[C@@H](NC[C@@H](C)CCC#N)c1ccccc1 602502757 NEBMKVKIZMZZOE-GOEBONIOSA-N 244.382 3.913 30 20 BHED C=C(CC)CNC(=O)[C@H](CCCC)C(C)C 622095112 BNENFOLSSYWRSS-CYBMUJFWSA-N 225.376 3.531 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1nc(C)cs1 623989253 PMHHHTQAYNLDBF-NSHDSACASA-N 238.400 3.704 30 20 BHED CCC#C[C@@H](C)N[C@@H](C)c1ccc(SC)cc1 685005049 LWWCHYNWGBHJRU-OLZOCXBDSA-N 247.407 3.861 30 20 BHED CCC(CC)NN=C(C)c1ccc(C)s1 734366197 IFAIUXLJLWPXJM-UHFFFAOYSA-N 224.373 3.559 30 20 BHED C=CCCCN(CC)Cc1ccccc1F 735490333 GKTPHDJSXZRWDA-UHFFFAOYSA-N 221.319 3.614 30 20 BHED CCC1CCC(=NOCC(F)(F)F)CC1 764836369 SGBAEQZWVZLUTQ-UHFFFAOYSA-N 223.238 3.522 30 20 BHED C#CCCCN1CCC[C@@H]1c1ccccc1Cl 766894850 FPUPSFJJCWCAGW-OAHLLOKOSA-N 247.769 3.890 30 20 BHED CC#CCCCC(=O)O[C@@H](C)c1ccc(C)cc1 767102286 ZZXQSDCZXTVYHH-AWEZNQCLSA-N 244.334 3.793 30 20 BHED CCC1CCC(=NOCCC(F)(F)F)CC1 777456208 STSJLFSNYULTSI-UHFFFAOYSA-N 237.265 3.912 30 20 BHED C#CCCCCCC(=O)NCC1(CCC)CCC1 779936516 ZUUJUDKPBCSNDK-UHFFFAOYSA-N 249.398 3.657 30 20 BHED CC[C@H](C)NN=C(C(C)C)C1CCCCC1 790182876 MWXFLQORECSGRK-LBPRGKRZSA-N 224.392 3.967 30 20 BHED C[C@@H](NN=Cc1ccc2[nH]ccc2c1)C(C)(C)C 793115201 PWFKDBFLKHCKOE-LLVKDONJSA-N 243.354 3.526 30 20 BHED CC(C)[C@@H]1CCCC(=NNc2ccnc(F)c2)C1 794530329 KYJGXNKJOMGSNV-LLVKDONJSA-N 249.333 3.835 30 20 BHED CSCCON=C1CC(c2ccc(C)cc2)C1 794572286 NXVGUWXSBDDNGI-UHFFFAOYSA-N 249.379 3.608 30 20 BHED CSCCON=C(C)C[C@H](C)CC(C)C 794573819 LVPSSKDCBVOYIN-LLVKDONJSA-N 231.405 3.814 30 20 BHED C=CCCCCCCCNC(=O)[C@@H](C)CC 811589636 BNAXIYVKOXPYEV-ZDUSSCGKSA-N 225.376 3.675 30 20 BHED CCC(Cc1cccs1)=NOC/C=C/Cl 811669731 ILJKVKJUGIGTHN-XXDRKUNISA-N 243.759 3.826 30 20 BHED C=CCCCC(=O)N1[C@@H](C)CCC[C@H]1CC 856272932 OOPKZAWCFAHTEF-QWHCGFSZSA-N 223.360 3.522 30 20 BHED CCC[C@H](C)[C@H](C)OC(=O)C(C#N)(CC)CC 860677577 NMDBNRQCGAFHPS-RYUDHWBXSA-N 239.359 3.684 30 20 BHED CCC(C)=NNc1c(C)cc(C)cc1C 916339338 JWYZZIUIYYSUNK-UHFFFAOYSA-N 204.317 3.810 30 20 BHED C=CCN(C(=O)Nc1ccc(C)c(C)c1)C(C)C 916705529 SULFSLPVKPSDRT-UHFFFAOYSA-N 246.354 3.732 30 20 BHED Cc1ccc(C=NN[C@H](C)c2ccccc2)cc1 920386413 ZSHBPBSYRXQKBS-CQSZACIVSA-N 238.334 3.680 30 20 BHED CCC(C=NNc1ccc(C(C)(C)C)nn1)CC 1318626651 UDMTXRROTRABPZ-UHFFFAOYSA-N 248.374 3.608 30 20 BHED CCC(CC)NN=Cc1cccc2ccoc12 1328092066 UCJIZIMCPSUSFO-UHFFFAOYSA-N 230.311 3.545 30 20 BHED C=CCC1(c2nnc(-c3ccccc3)o2)CCC1 1348908419 JKLHCAIFANDPAZ-UHFFFAOYSA-N 240.306 3.734 30 20 BHED C=C(Cl)CN[C@@](C)(CC)c1ccc(F)cc1 1560059610 UONKTVSBCZPIJF-ZDUSSCGKSA-N 241.737 3.793 30 20 BHED CCC[C@@H](C)Nc1nc(C(C)(C)C)ccc1C#N 1639299571 AHQBNWOLILTNIN-LLVKDONJSA-N 245.370 3.851 30 20 BHED Cc1cccc(CSc2cc(C#N)ccn2)c1 5931219 YZCNDFKVVUVIIW-UHFFFAOYSA-N 240.331 3.554 30 20 BHED Clc1cnc(NN=C2CCCC2)c(Cl)c1 8341978 NQLHGQJTXLCQSP-UHFFFAOYSA-N 244.125 3.730 30 20 BHED Cc1cc(C)c(C#N)c(N[C@H]2CCCC[C@H]2C)n1 35121551 OMRVMXSDISLVOK-YGRLFVJLSA-N 243.354 3.561 30 20 BHED CCCCNc1ccc(C#N)cc1C(F)(F)F 36973760 DVNQWSHSQPORDA-UHFFFAOYSA-N 242.244 3.789 30 20 BHED CC[C@H](C#N)Sc1nc2ccccc2s1 39246620 DUSROROMOCJOMS-MRVPVSSYSA-N 234.349 3.691 30 20 BHED CCCc1nc(-c2cccc(C#N)c2)cs1 62938308 ZJERNSVTPYEQNJ-UHFFFAOYSA-N 228.320 3.634 30 20 BHED N#CCC1(CNc2ccc3ccccc3c2)CC1 88249603 MBYAHVWMCFXLIQ-UHFFFAOYSA-N 236.318 3.946 30 20 BHED CCCCCCCCC(=O)N[C@H](CC)CC#N 115063193 KCASXGQESLALGN-CYBMUJFWSA-N 238.375 3.545 30 20 BHED C=CC[C@@H](C)NC(=O)Nc1c(C)cc(C)cc1C 116996132 QJXGPDXWLPTVIO-CYBMUJFWSA-N 246.354 3.698 30 20 BHED C=C[C@@H](C)N[C@@H]1CCSc2c(F)cccc21 157269052 IEBVORQFNJZKOF-BXKDBHETSA-N 237.343 3.527 30 20 BHED C=CCCN[C@H]1C[C@H](C)Sc2sccc21 168555992 UDQZEIXQPGNYOA-ONGXEEELSA-N 239.409 3.839 30 20 BHED N#Cc1ccc(/C=C/C(=O)c2cccs2)s1 176399125 WLJYBMGANWGJBH-AATRIKPKSA-N 245.328 3.577 30 20 BHED Cc1cccc2c1[C@H](C)C[C@@H]2NCCCCC#N 179418809 GFGBULKOFMZXCS-HIFRSBDPSA-N 242.366 3.827 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CCC[C@@](C)(CC)C1 188466016 NLNMAUQPPRHXFV-CABCVRRESA-N 237.387 3.627 30 20 BHED CC(C)CCSc1ccc(C#N)cc1F 226837080 HCRDAUACKPJPQR-UHFFFAOYSA-N 223.316 3.836 30 20 BHED CC(=NOCC1CC1)c1cc2ccccc2o1 255360951 VSKQJKVDOMOWFZ-UHFFFAOYSA-N 229.279 3.583 30 20 BHED CCCCCCCCCC(=O)N1CC[C@H](C)C1 261381361 GBXDKLJXPNBPNA-AWEZNQCLSA-N 239.403 3.996 30 20 BHED C[C@@H]1CCC[C@H]1N[C@H](CCC#N)c1ccccc1 271515202 OLDCQUSTAXRXHC-FVQBIDKESA-N 242.366 3.810 30 20 BHED C=CCCN(C)C(=O)Nc1c(C)cc(C)cc1C 276316150 NXOIEUMMYJXGPO-UHFFFAOYSA-N 246.354 3.652 30 20 BHED C=CCCCCCCN[C@@H](C)c1cscn1 286912864 FCONSIKWORYGIT-LBPRGKRZSA-N 238.400 3.930 30 20 BHED C=CCCCSCCOC(C)(C)C 308129811 AEJLKZFXHHWTKL-UHFFFAOYSA-N 202.363 3.501 30 20 BHED C[C@H](SCC1(C#N)CC1)c1ccc(F)cc1 344485824 QTAFCAHEZGBVDR-JTQLQIEISA-N 235.327 3.924 30 20 BHED C=CCCSCCSC(C)(C)C 388444624 UUJJERUMBJPFDG-UHFFFAOYSA-N 204.404 3.827 30 20 BHED C=CCCCCC[C@@H](C)N[C@H]1CCSC1 389883294 PRTJTBONNHCZGB-OLZOCXBDSA-N 227.417 3.607 30 20 BHED C=CC[C@@H](C)N[C@H](CC)C1CCCCC1 390008198 XVIDVDZMLAFSRX-TZMCWYRMSA-N 209.377 3.900 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(OC)cc1C 414155413 UYUUNDFCIHOIBI-CYBMUJFWSA-N 233.355 3.620 30 20 BHED N#CC1(CSCC2CCCC2)CCC1 419453514 RVTFXWJPABTJGG-UHFFFAOYSA-N 209.358 3.604 30 20 BHED C=CCC(C)(C)c1nc(CCC(C)C)no1 426397686 SVSOMEORHSXQBU-UHFFFAOYSA-N 222.332 3.512 30 20 BHED CC(C)[C@H]1CCCN(c2ccc(F)cc2C#N)C1 443993590 LXMSRXAGNKTSIY-LBPRGKRZSA-N 246.329 3.570 30 20 BHED Cc1ccc(CN2CCCC(C)(C)[C@H]2C#N)cc1 444734688 NYJOHOQVHYJDCY-OAHLLOKOSA-N 242.366 3.509 30 20 BHED C/C=C\CSCc1ccc(C#N)c(C)c1 447414944 UTSOJWFXIWJNBD-ARJAWSKDSA-N 217.337 3.676 30 20 BHED CC(C)CC[C@H](C)NC1CCC(C)(C#N)CC1 449060874 DZMDJYVCNZPOAE-NFOMZHRRSA-N 236.403 3.873 30 20 BHED C=CCC1(C(=O)N[C@@H]2C=CCCC2)CCCCC1 450108237 UKSDEEMQSTXYTK-CQSZACIVSA-N 247.382 3.738 30 20 BHED C=CCC1(NC(=O)CC2CCC2)CCCCC1 456359964 CSEJQZDLHAKKDO-UHFFFAOYSA-N 235.371 3.572 30 20 BHED C=CCC1(NC(=O)c2coc(C)c2)CCCCC1 456375742 YRDQPPPEHKCORK-UHFFFAOYSA-N 247.338 3.597 30 20 BHED C=CCCCCN[C@H](Cc1ccccc1)C1CC1 471598324 VSZJEEATBILJHM-QGZVFWFLSA-N 243.394 3.954 30 20 BHED C=CCCCCCN1[C@H]2CCC[C@H]1CC2 488217662 KCRQBJHWKUFVOB-KBPBESRZSA-N 207.361 3.750 30 20 BHED C=C[C@H]1CCCCN1Cc1cccc(F)c1F 489471892 HKRHMWDIKURHJQ-LBPRGKRZSA-N 237.293 3.505 30 20 BHED CC#CCCNCc1cc2cc(C)c(C)cc2o1 499217227 UYRATOPZFGYODO-UHFFFAOYSA-N 241.334 3.553 30 20 BHED C=CC[C@H](C)NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 512738300 CWVHAWHIFBFSRL-GBJTYRQASA-N 249.398 3.674 30 20 BHED C=C1CCN(Cc2ccc(OCCC)cc2)CC1 560406654 NWFYEXKPEWMVMK-UHFFFAOYSA-N 245.366 3.627 30 20 BHED CCC(CC)c1noc(CCCCCC#N)n1 589128016 POXMGXUUMSHDMN-UHFFFAOYSA-N 235.331 3.600 30 20 BHED CCC1(CC)CCCN([C@@H]2CC[C@@H](C#N)C2)C1 595753904 ZURHQAXZVWCCMA-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED C=CCCCOC(=O)/C=C(/C)c1ccc(F)cc1 735532525 MQAVFZORAJKRGK-QXMHVHEDSA-N 248.297 3.738 30 20 BHED CC#CCOC(=O)C1CCC(CCCC)CC1 744570783 RAJRTMDNQRVNDR-UHFFFAOYSA-N 236.355 3.550 30 20 BHED C=CCCC(=O)Oc1ccc(CCC)cc1 752230363 ZJUFVSYFZZVFEP-UHFFFAOYSA-N 218.296 3.511 30 20 BHED C=C(C)CCOC(=O)CCCSC(C)(C)C 754547215 PQRZZMIJOMZNLJ-UHFFFAOYSA-N 244.400 3.808 30 20 BHED CCC(C)(C)CC(=O)Oc1ccc(C#N)c(C)c1 765091676 LFAAWKBQPDHFEK-UHFFFAOYSA-N 245.322 3.598 30 20 BHED CON=CCCCc1ccc(Cl)c(Cl)c1 768771808 FUIJEKZSINONPK-UHFFFAOYSA-N 246.137 3.948 30 20 BHED C#CC[C@H](N[C@@H](CC)CCC)c1ccccc1 776169163 DVOJHJVNPJCNSG-HOTGVXAUSA-N 229.367 3.919 30 20 BHED C=C(C)CN(CC)C[C@H]1CCc2ccccc21 780287560 MSGFWCATEWWGGG-OAHLLOKOSA-N 229.367 3.614 30 20 BHED C=CCCCCCOC(=O)c1cc(C#N)cs1 784065916 SISQVPJAYFAGTR-UHFFFAOYSA-N 249.335 3.523 30 20 BHED C=CCCCCCN1CCC[C@@H]1c1cc(C)on1 785631123 WQROKZOTUWKPEV-OAHLLOKOSA-N 248.370 3.866 30 20 BHED C#CCN(C)Cc1sc2ccccc2c1Cl 792305635 MAZHXBOZSLSIGO-UHFFFAOYSA-N 249.766 3.620 30 20 BHED C#CCCc1noc([C@](C)(CC)CCCCC)n1 809397151 YEMLSVVXCNXQTJ-OAHLLOKOSA-N 248.370 3.883 30 20 BHED CCC(=NOC/C=C/Cl)c1cccs1 811671283 QCSPIDUEKAAJFW-ZACFJANWSA-N 229.732 3.631 30 20 BHED C=C(Cl)CN(C)[C@H](C)c1ccc(F)c(F)c1 817819681 MCMWIDSQVXZXFL-SECBINFHSA-N 245.700 3.710 30 20 BHED CC(CC(C)(C)C)=NOCCC(F)(F)F 834971790 HGUHLMYIBUHAND-UHFFFAOYSA-N 225.254 3.768 30 20 BHED C=CCC(CC=C)C(=O)N1CCCCCCCC1 836922887 FPYULMCHIHEFOB-UHFFFAOYSA-N 249.398 3.938 30 20 BHED CC[C@@H](C)CCC(=O)O[C@H](C)CC(C)(C)C#N 851204535 RMSQPHXPRMBNIM-VXGBXAGGSA-N 239.359 3.684 30 20 BHED C[C@H](NN=Cc1cccc(F)c1)c1ccccc1 920386398 ZFPFWAMHJRBASO-LBPRGKRZSA-N 242.297 3.510 30 20 BHED C=CCCCCCN(C)C(=O)/C=C(/C)CC 1324404331 LDZVDPOWMWWTGW-SEYXRHQNSA-N 223.360 3.548 30 20 BHED CC[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)[C@@H]1C 1459983284 LDCYVHZZYAKWFK-VNHYZAJKSA-N 242.366 3.740 30 20 BHED N#Cc1cc(Cl)ccc1SCC1CC1 1613587423 YPLYUZACHJEXLA-UHFFFAOYSA-N 223.728 3.714 30 20 BHED CCC(C)(C)c1ccc(OCCC#N)cc1 19808994 CBURDRLJPJIPLH-UHFFFAOYSA-N 217.312 3.667 30 20 BHED C[C@@H]1CCC[C@H](N(C)c2ccc(C#N)cc2)C1 42249872 AIBWWJABJHBWEM-DOMZBBRYSA-N 228.339 3.573 30 20 BHED C=CCC1(C(=O)N2C[C@@H](C)CCC[C@H]2C)CCC1 191907119 WWWUSZVIBSUGIH-UONOGXRCSA-N 249.398 3.770 30 20 BHED C#CCCCCNc1cc(C)nc2ccccc12 229738928 KNQMRDJYTCHSSX-UHFFFAOYSA-N 238.334 3.759 30 20 BHED C[C@@H]1CCC[C@@H](CN(CC#N)C2CCCC2)C1 310149439 OPKXZHIZRACFCO-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED CC[C@@H](C)[C@@H](C)Nc1cccc(CC#N)c1 313479296 NGMBRWAPVXOOBO-VXGBXAGGSA-N 216.328 3.599 30 20 BHED Cc1nc(N[C@H]2CC[C@@H](C)C2)c(Cl)cc1C#N 336716135 PUWBOBUQYBZRBG-KCJUWKMLSA-N 249.745 3.516 30 20 BHED C=CC[C@H](CC)Nc1ccnc(Cl)c1 393679177 QOAQMJMYCCSCPB-VIFPVBQESA-N 210.708 3.502 30 20 BHED C[C@H](N[C@H](C)CCC#N)c1ccc(C2CC2)cc1 419341249 ODNQSUHZDFRMDV-OLZOCXBDSA-N 242.366 3.907 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc(C)c(F)c1 429919526 RHORHGUSEZRABO-UHFFFAOYSA-N 235.302 3.675 30 20 BHED C=C1CCN(CC[C@H](C)c2ccccc2)CC1 447736326 LLFOMNOOZXJPJO-HNNXBMFYSA-N 229.367 3.832 30 20 BHED C=CC(C)(C)C(=O)N[C@H](C)CCC(C)(C)C 449894642 BNXSNOMKXOIUBB-LLVKDONJSA-N 225.376 3.530 30 20 BHED Cc1cc([C@@H](C)NCC2(C#N)CCC2)c(C)s1 450667669 LJWNTVYXQALLGC-LLVKDONJSA-N 248.395 3.709 30 20 BHED CC#CCCSCc1cc(C)ccc1OC 462378754 UBPQFAMCBDRMCA-UHFFFAOYSA-N 234.364 3.650 30 20 BHED C=C[C@@H](C)NC(=O)[C@H](CCC)CC1CCCC1 465121676 SRRPBKMEIWBWPZ-TZMCWYRMSA-N 237.387 3.674 30 20 BHED C=CCCCS[C@@H](CC)C(=O)OC(C)(C)C 479526897 YAHVBIARYJPPJF-NSHDSACASA-N 244.400 3.806 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@@H](C)C(CC)CC 488817436 OWGHQDLNXMPSRP-GXTWGEPZSA-N 237.387 3.626 30 20 BHED C=C[C@](C)(CC)c1nc(-c2ccc(C)cc2)no1 527487797 CNUIODMJMKODEZ-OAHLLOKOSA-N 242.322 3.899 30 20 BHED C=CC1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 538730466 NJFOICDIGPLJPC-IAGOWNOFSA-N 241.378 3.688 30 20 BHED COc1cc(C#N)ccc1CSCC=C(C)C 563767855 YXIUBYMQARRERT-UHFFFAOYSA-N 247.363 3.766 30 20 BHED CC(C)C(CN1CCC[C@@H](CC#N)C1)C(C)C 597178273 WTVBFDOGYIZJGF-AWEZNQCLSA-N 236.403 3.540 30 20 BHED C[C@H]1C[C@H](C)CC[C@@H]1/N=C/c1ccccc1O 733080811 BTYSRCATBVMWHQ-DTCIMYEYSA-N 231.339 3.636 30 20 BHED C=CCCCOc1c(F)cc(F)cc1C(C)=O 735415087 DOXPXMLPFXUWIJ-UHFFFAOYSA-N 240.249 3.512 30 20 BHED C=C(Cl)CN1C[C@H](c2ccccc2C)C[C@@H]1C 738876575 KSJALVAOHSINNV-UONOGXRCSA-N 249.785 3.925 30 20 BHED CCC[C@@H](C)C(CC)=NNC(CC)CC 748252278 QHMIBYKHZZMLTJ-LLVKDONJSA-N 212.381 3.967 30 20 BHED C=CCCC(CC)=NN[C@H]1CCCC1(C)C 782299094 FRYDGMOPQVUTQU-ZDUSSCGKSA-N 222.376 3.887 30 20 BHED Cc1ccnc(NN=C[C@@H]2CCCC[C@H]2C)c1 783856073 WNUXFRCNRZHTGZ-OLZOCXBDSA-N 231.343 3.614 30 20 BHED C[C@H]1CCC(=NNC2CCCCC2)[C@H](C)C1 786043009 FBTHMSIGFCNRNS-NWDGAFQWSA-N 222.376 3.721 30 20 BHED CCc1ccccc1NN=C1CCS[C@H]1C 814801969 PYNCHRVKGJVYQK-JTQLQIEISA-N 234.368 3.542 30 20 BHED Cc1ccc([C@H](C)NC[C@H](C)CCC#N)s1 876964649 LXRKFCGELBNUHB-PWSUYJOCSA-N 236.384 3.647 30 20 BHED C(=NNc1ccc2ccccc2n1)c1ccccc1 916286761 UEBYIEVBNINLJM-UHFFFAOYSA-N 247.301 3.681 30 20 BHED CCc1ccc(COc2ccccc2C#N)cc1 49961537 JHHYCJGJOOEXNR-UHFFFAOYSA-N 237.302 3.700 30 20 BHED C[C@H](CC#N)N[C@H](C)c1ccc2ccccc2c1 68607685 UBQLWSSVHGSNHF-CHWSQXEVSA-N 238.334 3.793 30 20 BHED CC[C@@H](C)N(CCCCC#N)Cc1ccccc1 70977438 FALOLQQIXUKQDG-OAHLLOKOSA-N 244.382 3.981 30 20 BHED C[C@H](N[C@@H]1CCCC1(C)C)c1ccc(C#N)cc1 94305386 NRVIGQRQDJQFCE-SWLSCSKDSA-N 242.366 3.788 30 20 BHED CC[C@@H](C)[C@H](C)N(CCCCC#N)C1CC1 104967249 PXPLNMDKCABGLF-OLZOCXBDSA-N 222.376 3.579 30 20 BHED C=CCCCN(C)[C@@H](C)c1ccccc1 117871151 IRBUWHPUDMLXTF-ZDUSSCGKSA-N 203.329 3.646 30 20 BHED C=CCCCN(C)[C@@H](C)c1sc(C)nc1C 117881152 NCMUTYVFFQBWPU-NSHDSACASA-N 238.400 3.719 30 20 BHED O=C(/C=C/c1cc2ccccc2o1)c1ccco1 118955333 FSISCYNVRCFEOO-BQYQJAHWSA-N 238.242 3.922 30 20 BHED CCCCCCC[C@H](C)NCc1ccon1 122221170 ZJKNXRVGFJOESN-LBPRGKRZSA-N 224.348 3.513 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccccc1OCC 163309025 SCFQQTTXNIMGHA-STQMWFEESA-N 233.355 3.701 30 20 BHED C=C(C)CS[C@H](C)C(=O)Nc1ccccc1C 177872529 TVQVWJARIFZZCB-GFCCVEGCSA-N 249.379 3.631 30 20 BHED C=CCCCCCN(CCC#N)Cc1ccco1 193368726 GXDJJIRSFOCZFM-UHFFFAOYSA-N 246.354 3.742 30 20 BHED C[C@@H](CCC#N)N[C@H](C)c1ccccc1Cl 276322505 OZKPZOKSLCZNMK-WDEREUQCSA-N 236.746 3.683 30 20 BHED CCCN(Cc1ccccc1)[C@H]1CC[C@@H](C#N)C1 297775922 GKGVQSLQTPVITG-CVEARBPZSA-N 242.366 3.591 30 20 BHED C=CCCCCNCc1ncc(C(C)C)s1 309366534 PQBHGGVHZNFXJW-UHFFFAOYSA-N 238.400 3.712 30 20 BHED Cc1csc(CNC2CCC(C)(C#N)CC2)c1 334678721 MFPZOHXEIWZZOK-UHFFFAOYSA-N 248.395 3.619 30 20 BHED CSc1ccc(C)c(N[C@H]2CC[C@@H](C#N)C2)c1 335702883 MHSDRMPNAINFSF-NEPJUHHUSA-N 246.379 3.821 30 20 BHED CC[C@H](C)CN[C@H](CC)c1ccc(C#N)cc1 421892184 WJWHBAKUBQEDTR-SWLSCSKDSA-N 230.355 3.645 30 20 BHED CC#CCCCC(=O)N([C@@H](C)CC)[C@@H](C)CC 467208471 RVAFHJGYHRXDCW-KBPBESRZSA-N 237.387 3.606 30 20 BHED C=CCCCCNC(=O)[C@@H](C)CC1CCCC1 471670351 FWAUJGKZOVXZNZ-ZDUSSCGKSA-N 237.387 3.675 30 20 BHED C=CC1CCN(C(=O)[C@](C)(CC)CCC)CC1 475925059 FCOMLCLUAVHHJM-OAHLLOKOSA-N 237.387 3.627 30 20 BHED C=C[C@H]1CCCCN1C(=O)Nc1ccc(C)cc1 485592483 KSDCDMQZLARKHL-AWEZNQCLSA-N 244.338 3.567 30 20 BHED C=C[C@H]1CCCCN1C(=O)C1CCCCCC1 488862728 XAGAXWMCKKYXSZ-AWEZNQCLSA-N 235.371 3.524 30 20 BHED CCC(CC)Sc1ccc(C#N)cc1 507026472 GAYPUYGDAMNUEM-UHFFFAOYSA-N 205.326 3.839 30 20 BHED N#Cc1cccc(NC[C@@H]2C[C@@H]2c2ccccc2)c1 536147842 JJLQDPPIVHIBGG-DOTOQJQBSA-N 248.329 3.774 30 20 BHED N#Cc1ccc(CSC2CCCCC2)nc1 577528901 KJYUVMIHSAISNZ-UHFFFAOYSA-N 232.352 3.519 30 20 BHED CC(C)C[C@@H](NCCCC#N)c1ccc(F)cc1 593708369 UAQPCFHPXVQHMG-OAHLLOKOSA-N 248.345 3.806 30 20 BHED Cc1cccc(NC[C@H](C)CCC#N)c1C 602495449 UYUFQAYZUZBSNP-LLVKDONJSA-N 216.328 3.655 30 20 BHED CCCC1CCC(CNCC(C)(C)C#N)CC1 612585326 XLSXICPSXBFCMC-UHFFFAOYSA-N 236.403 3.732 30 20 BHED C=CCCCSc1ncc(C(C)C)[nH]1 629224996 CUJLOEXNUXKBRO-UHFFFAOYSA-N 210.346 3.591 30 20 BHED CCC(=NNc1ccc(F)cn1)C1CCCCC1 731321844 RBFXOPBCIXWLFU-UHFFFAOYSA-N 249.333 3.979 30 20 BHED C=C(C)CCOC(=O)C[C@H](C)CC(C)C 744300208 SAFPQIQRARRFCP-GFCCVEGCSA-N 212.333 3.568 30 20 BHED COc1cccc(NN=C[C@@H]2CCC[C@H](C)C2)c1 768355717 POQLAQMCFUHYDH-QWHCGFSZSA-N 246.354 3.919 30 20 BHED C#CCCN[C@H](CC(C)(C)C)c1ccc(F)cc1 775137280 PLCJIGULKSKQLQ-OAHLLOKOSA-N 247.357 3.916 30 20 BHED C=CCCCCCCNC(=O)/C(C)=C(\C)CC 805220608 XRTOPXNXTILIQS-BUHFOSPRSA-N 237.387 3.986 30 20 BHED C=CCCCCCCN[C@H](C)[C@@H]1CCCOC1 806167797 KMJGOCJRBGFUKS-HUUCEWRRSA-N 239.403 3.528 30 20 BHED CC[C@H]1CCC[C@H](C=NOCCOC(C)C)C1 812240386 NWPBGULOTZBLNU-KBPBESRZSA-N 241.375 3.630 30 20 BHED C[C@@H]1C[C@@H]1c1ccc(C=NOCCC2CC2)o1 814246735 CUTLDUDYQWGEOT-MFKMUULPSA-N 233.311 3.554 30 20 BHED Cc1cc(C)cc(NN=C2CC[C@@H](C)C2)c1 814753707 WIVZACRDLWZMAJ-SNVBAGLBSA-N 216.328 3.891 30 20 BHED CCOCC(C)=NNc1ccc(C(C)C)cc1 835018278 KTWSUOXHFVMCCC-UHFFFAOYSA-N 234.343 3.634 30 20 BHED CCCON=Cc1cscc1C(F)(F)F 842551207 PNNBBNUGJQTMJL-UHFFFAOYSA-N 237.246 3.527 30 20 BHED C=CCCC[C@H](C)NC(=O)/C(C)=C/c1ccco1 846946551 JPVHLQXKEFLXBI-YLSINNKHSA-N 247.338 3.544 30 20 BHED C=CCCCCCSCc1cnoc1C 853773300 ZLUJNFQQAXCWDM-UHFFFAOYSA-N 225.357 3.963 30 20 BHED CCCCCCCNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12 862354965 BILMZUKGDMGIKE-MELADBBJSA-N 237.387 3.509 30 20 BHED C=CCN(C(=O)CCCCCCC)C(C)C 915155610 ZETIYEXODYZLAE-UHFFFAOYSA-N 225.376 3.770 30 20 BHED Fc1cccc(NN=Cc2cccc(Cl)c2)c1 920384059 NOIQZJZZQBSJNM-UHFFFAOYSA-N 248.688 3.925 30 20 BHED C=C[C@H](CC)CC(=O)Nc1c(F)cccc1F 930360582 NJXRKVAUNGFBQL-SECBINFHSA-N 239.265 3.506 30 20 BHED CCCCCCCCCc1nnc(COC)o1 1117263219 IABHQMDBZSZSIJ-UHFFFAOYSA-N 240.347 3.509 30 20 BHED C[C@@H]1CCCC[C@@H]1COc1ccc(C#N)c(F)c1 1188789813 YBNUIQVLKMLNBH-DGCLKSJQSA-N 247.313 3.902 30 20 BHED CCc1ccc(C(C)=NOC(C)(C)C)s1 1319583392 KNOJVZIVEFGVRJ-UHFFFAOYSA-N 225.357 3.850 30 20 BHED C=C(C)CCC(=O)N1CCC[C@H]1CCC(C)C 1335857050 XEIKSDVLNFHTQW-AWEZNQCLSA-N 237.387 3.770 30 20 BHED Cc1nsc(N[C@@H]2C[C@H]2CC(C)(C)C)c1C#N 1559229603 LNSGSHAVGUKHLR-GXSJLCMTSA-N 249.383 3.560 30 20 BHED Cc1ccc(F)c(OCc2ccc(C#N)s2)c1 1613566508 XZOGRZPGLORWMB-UHFFFAOYSA-N 247.294 3.646 30 20 BHED CCCC[C@@H](CC)Nc1cccc(OCC#N)c1 69374238 MUGLGGXSFDSRGJ-CYBMUJFWSA-N 246.354 3.970 30 20 BHED CCCCCCCCNCc1ncccc1C 109397286 ABODPJBJJGUTIF-UHFFFAOYSA-N 234.387 3.840 30 20 BHED CCCCCCCCCc1nc(COC)no1 109602729 RSVBOYSQYAGWDK-UHFFFAOYSA-N 240.347 3.509 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 116907877 ZSTHDIWRNKYFEN-GHMZBOCLSA-N 223.747 3.955 30 20 BHED C=CC[C@H](C)NCc1c(C)cc(C)cc1C 124265652 AXFQIEBXYXGPDQ-AWEZNQCLSA-N 217.356 3.666 30 20 BHED C=CC[C@@H](C)NC(=O)CC[C@H](C)c1ccccc1 133340857 JTOQKDFTAHJKDX-UONOGXRCSA-N 245.366 3.651 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cnc2ccsc2c1 163319996 CSILYBOEEJUWOC-QWRGUYRKSA-N 246.379 3.912 30 20 BHED CCC[C@@H](NCCCCC#N)c1ccccc1 182333312 ACJSFRFCCSLBSD-OAHLLOKOSA-N 230.355 3.811 30 20 BHED C=CCSCc1ccc(Cl)cc1C#N 184823950 RMDVPNPVZFACTA-UHFFFAOYSA-N 223.728 3.631 30 20 BHED C=CCC1(C(=O)Nc2cccc(F)c2C)CCC1 188647960 RIDDFGJKEJUMDJ-UHFFFAOYSA-N 247.313 3.819 30 20 BHED CC(C)C(CN[C@H]1CCC[C@H](C#N)C1)C(C)C 193341151 RASABDZYLQSQDX-KBPBESRZSA-N 236.403 3.587 30 20 BHED CC[C@H](C)CSCc1ccc(F)c(C#N)c1 229754543 ASLBGUFVRHKMEZ-JTQLQIEISA-N 237.343 3.977 30 20 BHED C=CCCCOC(=O)C[C@H]1CCc2ccccc21 261467895 USUGOPGFLXOXNU-CQSZACIVSA-N 244.334 3.616 30 20 BHED C=C(C)CSCCCc1ccsc1 308321286 BHPWVZYVONCCES-UHFFFAOYSA-N 212.383 3.990 30 20 BHED C=CCCNc1c(C)cccc1SC 308742319 PNCPRDPQPPIFDA-UHFFFAOYSA-N 207.342 3.705 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCC[C@H](C)[C@H]1C 309067422 ADGXROQZWIXBJC-RFQIPJPRSA-N 209.377 3.755 30 20 BHED C=CCN[C@H](c1ccccc1)C1CCCC1 309407423 XKXXEEPMTUOTRU-OAHLLOKOSA-N 215.340 3.694 30 20 BHED C=CCS[C@@H](C)c1nccn1-c1ccccc1 341901824 NPURIJKEZOOFKV-LBPRGKRZSA-N 244.363 3.853 30 20 BHED C=CCC(C)(C)CN[C@@H]1CCC[C@@H]1CC 381834763 QJVONQMFFVYFME-QWHCGFSZSA-N 209.377 3.757 30 20 BHED C=C[C@@H]1CCCCN1Cc1ccc(C)s1 426562385 RTUYPVDWLFOTTC-GFCCVEGCSA-N 221.369 3.597 30 20 BHED C[C@@H]1CCC[C@H](NC2CCC(C)(C#N)CC2)[C@@H]1C 449061164 HRNARLMQXUIXBA-AQIKHJSRSA-N 248.414 3.873 30 20 BHED C=CCCC[C@H](C)NC(=O)C(CC=C)CC=C 537316951 FGHVFBJWXWXLRG-ZDUSSCGKSA-N 235.371 3.616 30 20 BHED CCCN(CC#Cc1cccc(Cl)c1)C1CC1 539425966 ZGXMZKOEMPDAKL-UHFFFAOYSA-N 247.769 3.566 30 20 BHED C=CCCC[C@H](C)NC(=O)c1cc(C)cc(C)c1 540538489 SVIZOWKDNWGAHS-AWEZNQCLSA-N 245.366 3.778 30 20 BHED C=CCCOc1cc(CCC)ccc1OC 549514598 TXHRWIXLGCSXAZ-UHFFFAOYSA-N 220.312 3.603 30 20 BHED C=CCC[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccco1 554096966 SUAYPPANAVQRFX-DCAQKATOSA-N 241.281 3.530 30 20 BHED CCC[C@@H](CC)NC1(c2cccc(C#N)c2)CC1 560270203 KJLBAGMAANRCPD-OAHLLOKOSA-N 242.366 3.716 30 20 BHED CC#CCCCc1nc(CC2(C)CCCC2)no1 576907538 AGXAUPUTPPPXMT-UHFFFAOYSA-N 246.354 3.538 30 20 BHED C=C(C)CCNc1ccc(C)c(OC(F)F)c1 577657968 PVUFHSLDTDFBAI-UHFFFAOYSA-N 241.281 3.975 30 20 BHED CCCN(Cc1ccccc1F)[C@H](C)CCC#N 595782981 LFHGLRRIVXUBJA-CYBMUJFWSA-N 248.345 3.730 30 20 BHED C=CCCN(CC=C)Cc1ccc(Cl)s1 606896365 JIVNCDQURJQKID-UHFFFAOYSA-N 241.787 3.966 30 20 BHED C=CCC(CC=C)C(=O)Nc1nc(C(C)C)co1 637636696 WSNJLQSUXSMGAH-UHFFFAOYSA-N 248.326 3.505 30 20 BHED C=CCCC(=O)Oc1ccccc1C(C)C 726499136 UFCRBBQKKXJVTH-UHFFFAOYSA-N 218.296 3.682 30 20 BHED C=CCCOC(=O)c1sccc1C(C)C 729074103 AXGCXIHOWADBHB-UHFFFAOYSA-N 224.325 3.604 30 20 BHED CCc1ccc(C(C)=NNc2ccc(C)cc2)o1 752157272 KNYWAYKVRBXFOC-UHFFFAOYSA-N 242.322 3.987 30 20 BHED C=CCC(CC=C)C(=O)OCc1ccc(F)cc1 758512565 AIGCNPYAWDPRTM-UHFFFAOYSA-N 248.297 3.637 30 20 BHED COc1cccc(NN=C(C)CCC=C(C)C)n1 779819061 IFTYQTSKQBNSQQ-UHFFFAOYSA-N 247.342 3.624 30 20 BHED CCON=C1CC[C@@](C)(c2ccccc2)C1 780208755 AJJOLIBRHMNYFC-CQSZACIVSA-N 217.312 3.521 30 20 BHED CC(C)[C@@H]1CCCCC1=NNc1ccnc(F)c1 781132939 RYGVQDXMCRKOHX-LBPRGKRZSA-N 249.333 3.835 30 20 BHED C=CC[C@H](C)N[C@H](CC)c1ccc(C)cc1O 794811385 QDKWQNKDBIWTTA-GXTWGEPZSA-N 233.355 3.706 30 20 BHED C=CC[C@H](C)N[C@@H](CC)c1ccc(C)cc1O 794811386 QDKWQNKDBIWTTA-JSGCOSHPSA-N 233.355 3.706 30 20 BHED C#C[C@H](N[C@@H]1CC[C@H](c2ccccc2)C1)C(C)C 809685694 LSODJOISVVPROS-BBWFWOEESA-N 241.378 3.570 30 20 BHED C[C@@H]1CC(=NN[C@H](C)c2ccncc2)C[C@H](C)C1 819817027 UMNRZYXCOUSREI-FRRDWIJNSA-N 245.370 3.544 30 20 BHED N#CCCSCc1cc(Cl)nc(Cl)c1 840212053 IFNCXSQIGGVVFE-UHFFFAOYSA-N 247.150 3.535 30 20 BHED CCCC(C)(C)C(=O)OCCCC(C)(C)C#N 845358041 UULJTHIAWFHWPL-UHFFFAOYSA-N 239.359 3.686 30 20 BHED C=CC[C@H]1CCCN(C(=O)CCCCCC)C1 855440916 QJMSQZMTKMAVOG-AWEZNQCLSA-N 237.387 3.772 30 20 BHED CCC(CC1CCCCC1)=NNc1cccnn1 872352626 AEZQCFRCGKSHIV-UHFFFAOYSA-N 246.358 3.625 30 20 BHED C=C(C)COC(=O)[C@@H](CCC)c1ccccc1 916595026 KLZFJUHFXQYCRR-AWEZNQCLSA-N 232.323 3.690 30 20 BHED C=C[C@](C)(CC)c1nnc(-c2ccccc2)o1 1330063394 URGFHZZYWQXBMS-CQSZACIVSA-N 228.295 3.590 30 20 BHED CCC[C@H]1CCCN([C@H](C#N)c2ccccc2)C1 1642189055 MKMZRNLNRIODLX-GOEBONIOSA-N 242.366 3.763 30 20 BHED C[C@@H]1CCC[C@@H](CCN(C2CC2)[C@H](C)C#N)C1 1654165044 LLXJLMMCSAOTFM-MCIONIFRSA-N 234.387 3.579 30 20 BHED C[C@H]1CCCC[C@@H]1N(C)Cc1ccc(C#N)cc1 55386462 BYRQBPZWWONLPS-BBRMVZONSA-N 242.366 3.569 30 20 BHED CN(CCCCC#N)c1ccc2ccccc2c1 71089403 UUMXFQJIYFWFQG-UHFFFAOYSA-N 238.334 3.970 30 20 BHED C=CCCC(=O)Oc1cccc(Cl)c1Cl 82079856 GHGQROAFVXFQIT-UHFFFAOYSA-N 245.105 3.865 30 20 BHED CCCCCCCCNCc1csc(C)n1 103517156 OUKVKQPWHNQPFG-UHFFFAOYSA-N 240.416 3.902 30 20 BHED Cc1ccccc1[C@@H](C(C)C)N(C)CCCC#N 112357705 HEMLFCWLYIJGAS-MRXNPFEDSA-N 244.382 3.928 30 20 BHED C=C(Cl)CN(C1CC1)[C@@H](C)c1ccco1 127846926 XQHFUJDFCRHECQ-JTQLQIEISA-N 225.719 3.558 30 20 BHED C=C(CN[C@H](C)[C@@H](C)CC)c1ccccc1 132306952 ALSMZPLUYHWEMT-GXTWGEPZSA-N 217.356 3.724 30 20 BHED C=CCCC[C@H](C)NC(=O)C1(C)CCCCC1 157365499 GEGCPMADYUTACS-ZDUSSCGKSA-N 237.387 3.818 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc(OCC)cc1 163322260 OPCHNLYLTBAQEQ-OLZOCXBDSA-N 233.355 3.701 30 20 BHED C=C(C)CCN[C@@H](C)c1cccc(Cl)c1 168051264 XJISLMOJKKXTPW-NSHDSACASA-N 223.747 3.957 30 20 BHED C=CCCCC(=O)NC(C)(C)CC(C)(C)C 177515043 KPOTXQBQXARWKW-UHFFFAOYSA-N 225.376 3.674 30 20 BHED CC(C)C1(CN[C@H](C)c2cccc(C#N)c2)CC1 182009126 UZOUIGSHGQBQHV-CYBMUJFWSA-N 242.366 3.645 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1cncc(F)c1 182182253 NUSHJGZBBXLHEU-VXGBXAGGSA-N 236.334 3.616 30 20 BHED C=CCC1(C(=O)N[C@H]2CC23CCCCC3)CCC1 189951427 RQUSLPIGTZLXJA-ZDUSSCGKSA-N 247.382 3.572 30 20 BHED N#Cc1ccc(/C=C/c2cccc(Cl)c2)nc1 193445472 GVOKHQDUAHMODQ-GQCTYLIASA-N 240.693 3.777 30 20 BHED C[C@H](Oc1ccc(F)cc1)c1ccc(C#N)cc1 194621858 OGFNCQOISIXVHF-NSHDSACASA-N 241.265 3.837 30 20 BHED CC[C@@H](C)N(CC)CCCCC(C)(C)C#N 233855350 ZEAPFICSPACFPV-CYBMUJFWSA-N 224.392 3.827 30 20 BHED C=CCC(CC=C)C(=O)N(CC)C1CCCC1 268162874 NUMURSOYSYACFA-UHFFFAOYSA-N 235.371 3.546 30 20 BHED C=CCCCCNc1nc2cc(F)ccc2o1 302230276 BVPJKWXJJXKGIQ-UHFFFAOYSA-N 234.274 3.735 30 20 BHED C=CCCCCCCN[C@@H](C)c1ccncc1 382420041 QJDKOBBPWCKRNO-AWEZNQCLSA-N 232.371 3.869 30 20 BHED CC[C@H](Nc1cccc(CC#N)c1)[C@@H]1CC1(C)C 397608473 BIPQRKLPQKMDBO-GJZGRUSLSA-N 242.366 3.989 30 20 BHED C[C@@H](SCCC#N)c1ccc2c(c1)CCC2 413011430 CPHFGQBGUIEHOS-LLVKDONJSA-N 231.364 3.883 30 20 BHED CC(C)c1cnc(NCC(C)(C)CC#N)s1 413410773 PZDSRMVIMADRQH-UHFFFAOYSA-N 237.372 3.618 30 20 BHED COC[C@H](C)SCCC1(C#N)CCCCC1 419412321 CUJZXYYAXOYZMG-LBPRGKRZSA-N 241.400 3.619 30 20 BHED Cc1cc(CSCCOC(C)C)ccc1C#N 447418303 PYIAFXCVVQZZSM-UHFFFAOYSA-N 249.379 3.525 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(C)c(OCC)c1 448883229 GAYGDGFNJKJRAO-UHFFFAOYSA-N 247.338 3.544 30 20 BHED C=CC[C@@H](C)N[C@@H](C1CCCC1)C1CC1 453142755 KNYLJKYNPGVQLK-RISCZKNCSA-N 207.361 3.509 30 20 BHED C=C[C@@H](C)NC(=O)[C@H](CC)C1CCC(C)CC1 461014292 JREIJTRPWUXHSC-FKZOYECMSA-N 237.387 3.530 30 20 BHED C=C(C)CN[C@@H]1CCC[C@@H]1Cc1ccccc1 493442786 OXAIDISIUYJSBX-HZPDHXFCSA-N 229.367 3.564 30 20 BHED C=C(C)CCSc1ccccc1C#N 505500389 IVBNKQNMAIOXEQ-UHFFFAOYSA-N 203.310 3.617 30 20 BHED C=CCCCCN1CCC[C@@H]1c1cccn1C 521543308 TYTLKIHDROZFDZ-OAHLLOKOSA-N 232.371 3.518 30 20 BHED C=CCCN[C@@H](c1ccc(F)cc1)C(F)(F)F 580999257 LFPSXQPOFVUEOA-NSHDSACASA-N 247.235 3.595 30 20 BHED C=CC(C)(C)CNC(=O)C1[C@@H]2CCCCCC[C@@H]12 615831859 SUVIYBLVOYRZMO-CHWSQXEVSA-N 249.398 3.531 30 20 BHED CC(C)(C#N)CCN1CCCCc2sccc21 619553848 FKYMNGSEQHNQDN-UHFFFAOYSA-N 248.395 3.831 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 626370087 AVMXDUYGEXIRKV-RZLSGREXSA-N 249.398 3.674 30 20 BHED C=C(C)CN(C)Cc1ccsc1C(F)(F)F 628234896 QTGIEURDFCWNQU-UHFFFAOYSA-N 249.301 3.775 30 20 BHED C#Cc1cccc(NC2CCC3(CC2)CC3)c1 710168703 ZRUKWKMTCQBMFZ-UHFFFAOYSA-N 225.335 3.803 30 20 BHED Cc1cc(F)ccc1C=NNc1ccc(F)cc1 750916323 KANMFMZNRZKKTM-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C=CCCCCNC(=O)C=C1CCC(C)CC1 770082113 KJCHKAPCGSVPBY-UHFFFAOYSA-N 235.371 3.595 30 20 BHED CC(C)=CCCC(C)=NN[C@H]1C[C@H]2CC[C@H]1C2 774594014 WMBVPYXMHWFUJU-KKUMJFAQSA-N 234.387 3.887 30 20 BHED C=CCCC[C@H](C)NC(=O)/C(C)=C(\C)CC 780034887 ZQHXKDNYDJYKCM-OWRWYXLESA-N 223.360 3.594 30 20 BHED CC[C@H](C)NN=Cc1c(Cl)cccc1Cl 790190873 RKVCJTYJDZQPJA-QMMMGPOBSA-N 245.153 3.715 30 20 BHED C1CC(ON=C2CC[C@@H]3CCCC[C@H]3C2)C1 812235419 GJURHGASBGPMDH-RYUDHWBXSA-N 221.344 3.902 30 20 BHED CCCC(=NOCC1CC1)c1ccsc1 814243672 JCSHZWZJRKMFDP-UHFFFAOYSA-N 223.341 3.679 30 20 BHED CC1(C)CCC(=NOCCC2CC2)CC1 814245088 QWHGLTXXLWPQGD-UHFFFAOYSA-N 209.333 3.759 30 20 BHED C=C[C@@H](CC)CC(=O)N1CC2(CCC2)[C@H]1C(C)C 820216173 PLECWNSBBAQESF-DZGCQCFKSA-N 249.398 3.626 30 20 BHED CC(C)ON=C1CC(c2ccc(Cl)cc2)C1 835002090 JHYLFGSEBXWDHI-UHFFFAOYSA-N 237.730 3.998 30 20 BHED FC(F)CON=C1CCC(=C2CCC2)CC1 853333315 HDTUYCGCVLJIRR-UHFFFAOYSA-N 229.270 3.679 30 20 BHED CC[C@@H](C)C(C)=NNc1ccc(F)cc1F 916248105 LOZTWGXPSVCTJV-MRVPVSSYSA-N 226.270 3.799 30 20 BHED C=CCC(C)(C)c1noc(-c2occ(C)c2C)n1 1324299689 CJFYXUPMQVCPNF-UHFFFAOYSA-N 246.310 3.800 30 20 BHED CC(C)(C)SCCCSCC1(C#N)CC1 1329275388 UJYORWWWKTUZIB-UHFFFAOYSA-N 243.441 3.945 30 20 BHED CCN(CCC#N)CC1CCC(C(C)C)CC1 1657641719 FYANUBDPHJLVKM-UHFFFAOYSA-N 236.403 3.684 30 20 BHED CCC[C@H](C)Nc1cccc(OCCCC#N)c1 37777426 OUHIWCLELZRTAK-ZDUSSCGKSA-N 246.354 3.970 30 20 BHED C=C(C)CNCc1cccc2ccccc12 52061525 MHKUEHTXPCYVPR-UHFFFAOYSA-N 211.308 3.506 30 20 BHED Cc1cc(C)c(C#N)c(NC[C@@H](C)C(C)(C)C)n1 96609819 KELUHFVRAHAIIU-LLVKDONJSA-N 245.370 3.664 30 20 BHED N#CCCCCN(CC1CCCCC1)C1CC1 102397654 GKCNPEUAVJEQTQ-UHFFFAOYSA-N 234.387 3.725 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc(C)c(C)c1 119330926 XRGQOIQJIHJKCQ-CHWSQXEVSA-N 203.329 3.529 30 20 BHED C=CCC[C@H](C)NCC(C)(C)c1cccs1 126838284 UBLNIGXRCRMJEI-LBPRGKRZSA-N 237.412 3.970 30 20 BHED CCCCCCCC(=O)N[C@H]1CC[C@H](C)C1 159769921 JQLDIEMGFXBYCP-STQMWFEESA-N 225.376 3.652 30 20 BHED C=CC[C@H](C)N[C@@H](CC)c1ccc2c(c1)CCO2 163315679 GHXWDCGXODMRAP-WFASDCNBSA-N 245.366 3.627 30 20 BHED C=C(C)CCNc1c(F)cccc1Cl 169033379 HRSBMMWHKVTHSY-UHFFFAOYSA-N 213.683 3.857 30 20 BHED C#CCCCC(=O)NC1CCC(CCCC)CC1 192089998 XUGIEPUMZFAACL-UHFFFAOYSA-N 249.398 3.655 30 20 BHED CCc1ccc([C@@H](CC)NCCCC#N)cc1 273163542 AJNCIIFGTKTVEK-OAHLLOKOSA-N 230.355 3.593 30 20 BHED C=CCCCCN[C@@H](C)c1ccc(C#N)cc1 274541488 UJVNEGUWMWLHEZ-ZDUSSCGKSA-N 228.339 3.565 30 20 BHED N#C[C@@H]1CC[C@H](Sc2cccc(F)c2)C1 296039425 PRDXVPSMIHYBCC-SKDRFNHKSA-N 221.300 3.610 30 20 BHED C=C[C@H](C)N[C@H](CC)c1cccc(C)c1 308785152 AQRVIMLSXIQXTG-GXTWGEPZSA-N 203.329 3.610 30 20 BHED C=CCCCNc1cccc2cc[nH]c12 308842316 KPHKRJIHJYWLFM-UHFFFAOYSA-N 200.285 3.546 30 20 BHED C=CCC[C@H](C)NC[C@@H](SC)C(C)(C)C 309081247 PXOQWMSLJNHTKO-NWDGAFQWSA-N 229.433 3.708 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1sccc1OC 309726190 XZALZPUXCBCQOH-WDEREUQCSA-N 239.384 3.762 30 20 BHED C=CCC[C@@H](C)Nc1cc(C2CC2)ccn1 309739470 HKJUASSMJWWPRM-LLVKDONJSA-N 216.328 3.726 30 20 BHED C=CCCSCc1ccc(C#N)c(C)c1 339091629 ZPRYTCFUSLFZFM-UHFFFAOYSA-N 217.337 3.676 30 20 BHED C=CCCCCN[C@@H](C)c1ccc(OC)cc1 379867350 NMIZPIQDQPCHRZ-ZDUSSCGKSA-N 233.355 3.702 30 20 BHED C=CCCCCC[C@@H](C)N[C@@H](C)CSC 380222742 JPISWBVZRAWEJN-OLZOCXBDSA-N 229.433 3.853 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccc(C)cc1O 393776872 YMXCNGDVBJWUAF-CHWSQXEVSA-N 233.355 3.706 30 20 BHED CCCN(CCC)[C@@H](C)c1cccc(C#N)c1 411169501 SYQOKTYJJVGVBB-ZDUSSCGKSA-N 230.355 3.741 30 20 BHED CCC(C)(C)N(C)CCC1(C#N)CCCCC1 411376174 IYWZFJPPAKUWPH-UHFFFAOYSA-N 236.403 3.971 30 20 BHED C[C@@H](NCC1(C#N)CCC1)c1cccc(Cl)c1 450659951 JSVNISJGTMPRON-LLVKDONJSA-N 248.757 3.684 30 20 BHED C=CCC(C)(C)C(=O)N(C)C1CCCCCC1 459909414 RHJRTZQPDCXDNO-UHFFFAOYSA-N 237.387 3.770 30 20 BHED CC#CCCCC(=O)NCCCC1CCCCC1 464569072 MACRCBLQWNZGSI-UHFFFAOYSA-N 249.398 3.657 30 20 BHED C=CCN(C(=O)[C@H](C)[C@@H](C)CC)c1ccccc1 502681706 SZGMIKMMRKOYHA-UONOGXRCSA-N 245.366 3.888 30 20 BHED C=CCCCN1CCC[C@@H]1c1ccccc1OC 522775665 SBDJFKRRDGUHPG-OAHLLOKOSA-N 245.366 3.798 30 20 BHED C=CCC(C)(C)c1noc(/C=C(/C)C2CC2)n1 551139531 GSLIGHNRORXFIH-KTKRTIGZSA-N 232.327 3.737 30 20 BHED C[C@H](CCC#N)CN(C)C1CCCCCC1 602429974 JEUVEIHWKSIKTC-CYBMUJFWSA-N 222.376 3.581 30 20 BHED CC(=NNc1ccc(Cl)cc1)c1ccccn1 606346886 SWDZSBVDJMZWMS-UHFFFAOYSA-N 245.713 3.571 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc(C(F)F)nc1 657919670 UWLXHFADFZIACF-VHSXEESVSA-N 240.297 3.634 30 20 BHED C=C(C)COC(=O)C[C@@H](C)C1CCCCC1 725971193 FHDRPHNJBIGNPR-GFCCVEGCSA-N 224.344 3.712 30 20 BHED Cc1cc(F)ccc1NN=Cc1ccccc1F 750939144 VUASZBMTKNQSIJ-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C=CCN(C(=O)C(C)(C)CCCCC)C1CC1 754416451 MTZNCGHMZHGSTI-UHFFFAOYSA-N 237.387 3.770 30 20 BHED C#CCCCC(=O)Oc1ccc(CCCC)cc1 758876093 IYCLAHPBBYYRBK-UHFFFAOYSA-N 244.334 3.738 30 20 BHED C#CCCCCN[C@H]1CCCc2ccc(C)cc21 773039920 ZHNDHSNERXPAJG-KRWDZBQOSA-N 241.378 3.766 30 20 BHED C#CCCCCCC(=O)Nc1ccc(Cl)cc1 779704587 SCQURRLFLAPPDN-UHFFFAOYSA-N 249.741 3.862 30 20 BHED CC1(C(=O)OCCCCC#N)CCCCCC1 781302269 WLZVVNDJBDYNMS-UHFFFAOYSA-N 237.343 3.584 30 20 BHED C#C[C@H](N[C@@H]1CCC[C@@H]1c1ccccc1)C(C)C 809685239 HYPIZDNNNMRARW-IXDOHACOSA-N 241.378 3.570 30 20 BHED C#CCCCCCC(=O)NC[C@@H]1CCCC1(C)C 819166916 LQZXHGAOSJAIMP-AWEZNQCLSA-N 249.398 3.513 30 20 BHED CC(C)C#CC(=O)Nc1ccc(C(C)(C)C)cc1 854130946 CYKLSSZTGVEXFZ-UHFFFAOYSA-N 243.350 3.582 30 20 BHED CC(=NNCc1ccccc1)c1ccc(C)cc1 916344747 ZUQXKHVPMLACFP-UHFFFAOYSA-N 238.334 3.509 30 20 BHED CCC[C@H](C)N(C)CCCCC1(C#N)CCC1 929251932 GZANCHNBWJXOOX-AWEZNQCLSA-N 236.403 3.971 30 20 BHED C#CCCCCC(=O)NC[C@@H]1CCCC[C@@H]1CC 1324465576 GKUSTVKLTBUFBC-GJZGRUSLSA-N 249.398 3.513 30 20 BHED CC(C)[C@H]1CCC[C@@H]1Nc1cccc(C#N)c1 1658695018 BQLYZSUMVLDKBU-CABCVRRESA-N 228.339 3.795 30 20 BHED C=CCCCOc1cccc(NC(=O)OCC)c1 77238483 LILQAGQPSIXRCR-UHFFFAOYSA-N 249.310 3.600 30 20 BHED C[C@H]1C[C@H](Nc2ccc(CC#N)cc2)CC[C@H]1C 84985158 RDBGYABONDDPSC-DVOMOZLQSA-N 242.366 3.989 30 20 BHED C=CCCCOc1ccc(C(C)=O)cc1Cl 85867279 LIYPNHZAZAHPFH-UHFFFAOYSA-N 238.714 3.888 30 20 BHED CC(C)CS[C@@H](C#N)C1CCCCC1 96604986 VLLUTNWBLRLKFY-LBPRGKRZSA-N 211.374 3.848 30 20 BHED CCCCCCCCN(C)[C@H](C)CC#N 102970711 PEUPAXLCKNZESF-CYBMUJFWSA-N 210.365 3.581 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc(CC)s1 119366047 KQAOSDPOOUEXQL-VHSXEESVSA-N 209.358 3.536 30 20 BHED C=CCC[C@H](C)NCCc1ccc(Cl)cc1 126704961 XTSJVZXXNYGQAD-LBPRGKRZSA-N 237.774 3.827 30 20 BHED O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccco1 130869125 KWNSPZANAAHMLK-GQCTYLIASA-N 248.665 3.535 30 20 BHED C=C(Cl)CN[C@H](C)c1cc(C)cc(C)c1 161729988 ADNHWGUQOISDRW-GFCCVEGCSA-N 223.747 3.707 30 20 BHED CC(C)(C#N)CNC1CC(C)(C)CC(C)(C)C1 168942262 GCORABBUYLYMOE-UHFFFAOYSA-N 236.403 3.731 30 20 BHED CC[C@@H](N[C@@H](C)CC#N)c1ccc(Cl)cc1 170806642 ZJOIESOKAWMIAQ-GXFFZTMASA-N 236.746 3.683 30 20 BHED C=CCCCN[C@H](C)[C@@H](C)c1ccccc1 183373481 GDGUYOBFPSQPOW-ZIAGYGMSSA-N 217.356 3.734 30 20 BHED C[C@H]1C[C@H](C)CC[C@H]1NCCCC(C)(C)C#N 227014183 GUMJZGGCKWBUII-HZSPNIEDSA-N 236.403 3.731 30 20 BHED C#C[C@@H](CC)NC1CC(c2cccc(Cl)c2)C1 229896148 RIOCFJRIHGCBDF-BLZCZZARSA-N 247.769 3.587 30 20 BHED Cc1ccc(/C=C\C(=O)c2occc2C)s1 255275397 OZEYVKWXBCZUGW-WAYWQWQTSA-N 232.304 3.854 30 20 BHED C=CC[C@H](CC)NC(=O)c1cc2ccccc2o1 281229403 DVLWXFBMYLXEGE-LBPRGKRZSA-N 243.306 3.517 30 20 BHED CCCCCCCN[C@H]1CCC[C@@H](C#N)C1 310021676 NQCNHTGBYNJMDZ-KGLIPLIRSA-N 222.376 3.629 30 20 BHED N#CC1(/N=C(/O)[C@H]2CC23CCCC3)CCCCC1 328847101 XWPAVKIWWJEBOV-GFCCVEGCSA-N 246.354 3.750 30 20 BHED Cc1ccc(C)c(/C=C\c2ccncc2C#N)c1 347417008 CSTKPZOSFMLAAT-WAYWQWQTSA-N 234.302 3.741 30 20 BHED C=CCCc1nc(C2CCC(C)(C)CC2)no1 347453314 AOWFAZJGKMPFDH-UHFFFAOYSA-N 234.343 3.872 30 20 BHED C=CCCC1(C(=O)N[C@H](C)c2ccccc2)CC1 353301897 BHIHAJMCFMUUFU-CYBMUJFWSA-N 243.350 3.610 30 20 BHED C[C@@H](CCC#N)N1CCC[C@@H](c2ccccc2)C1 411759047 PLUNGMZQBISUMH-GOEBONIOSA-N 242.366 3.558 30 20 BHED C=CCC[C@H](CCC)NC[C@@](C)(OC)C1CC1 462820808 ZHUYOSCNXZNSIT-LSDHHAIUSA-N 239.403 3.526 30 20 BHED CC(C)(C)[C@@H]1CCCC[C@@H]1N[C@H]1CC[C@@H](C#N)C1 471620052 RDXBBWWVFUPHSF-BARDWOONSA-N 248.414 3.873 30 20 BHED C=CC[C@@H](C)NC(=O)N[C@@H](CCC)CCCC 483989797 WJRCIVGYFCZMJZ-OLZOCXBDSA-N 240.391 3.609 30 20 BHED C[C@@H](CB1OC(C)(C)C(C)(C)O1)C(C)(C)C 536960396 UTVFPBPKZWQYIW-JTQLQIEISA-N 226.169 3.761 30 20 BHED C=CCNC(C)(C)c1ccc(OCC(C)C)cc1 538217049 XQMJNIVTADSVIF-UHFFFAOYSA-N 247.382 3.732 30 20 BHED CC(C)CC[C@@H](NCC1(C#N)CC1)C(C)(C)C 539493512 UESZMIKYGAJAQB-CYBMUJFWSA-N 236.403 3.731 30 20 BHED C=CCCN1CCC[C@@H]1/C=C/c1ccccc1 541872770 IHFFODGUDLSPOI-LPQFERQCSA-N 227.351 3.740 30 20 BHED C=CCC(C)(C)C(=O)NCC1(CC)CCCC1 560303759 XGAPMBYCEXMIFC-UHFFFAOYSA-N 237.387 3.675 30 20 BHED CC(C)c1ccc([C@H](C)NCC2(C#N)CC2)cc1 611430501 VVIHSAAPWMGKSK-ZDUSSCGKSA-N 242.366 3.764 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1NCCc1ccoc1 658199005 LCEDHOFXMXRBPZ-CABCVRRESA-N 233.355 3.547 30 20 BHED CC[C@H](C)C[C@@H](C)N[C@@H](C)CC(C)(C)C#N 695815113 KEHWDKVPLGWNAL-XQQFMLRXSA-N 224.392 3.729 30 20 BHED N#CCCCCN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 723669948 QTHPUEIJRBLDOJ-RBSFLKMASA-N 234.387 3.629 30 20 BHED Cc1cccc(C=NNc2ccccc2F)c1C 731151633 NFIMXJNCVRRCCM-UHFFFAOYSA-N 242.297 3.889 30 20 BHED CCC(CC)NN=C1CCC[C@@H](CC)C1 734979101 JRDCJVUNMZYNTC-LLVKDONJSA-N 210.365 3.721 30 20 BHED C#CCCCN1CCCCC[C@@H]1c1ccco1 766906322 QDEAUOXAGARLMU-CQSZACIVSA-N 231.339 3.610 30 20 BHED CC1(C)CCC(CON=C2CCC2)CC1 781614489 MLIBCVHEUXPBGS-UHFFFAOYSA-N 209.333 3.759 30 20 BHED C=CCCCCC[C@H](C)N[C@H](C)[C@H]1CCOC1 793536617 TYOPSQFBPNUWCB-ZNMIVQPWSA-N 239.403 3.526 30 20 BHED CC(=NOCC1CC1)c1cccc2ccccc12 814244739 HTUICFOITLVTIU-UHFFFAOYSA-N 239.318 3.990 30 20 BHED Cc1sccc1C=NNc1ccccc1 814684139 FRSMKWMHBLLNSJ-UHFFFAOYSA-N 216.309 3.503 30 20 BHED CCC(C)=NNc1cc(Cl)nc(Cl)c1 819831591 NUNHSZMEWMWSHL-UHFFFAOYSA-N 232.114 3.586 30 20 BHED C=CCON=C1CC(c2cccc(Cl)c2)C1 835012925 ANLZNIHNZJOOOG-UHFFFAOYSA-N 235.714 3.776 30 20 BHED N#CC1(CSC/C(Cl)=C\Cl)CCC1 842193386 KWPAAOBNGKKFOQ-XBXARRHUSA-N 236.167 3.732 30 20 BHED C=CC[C@H]1CCCN(C(=O)C(C)=C2CCCC2)C1 855438319 FPCRQXHAVVRFTB-AWEZNQCLSA-N 247.382 3.692 30 20 BHED C=C(CC(C)C)C(=O)N[C@H](C)c1ccsc1 1349809893 IHNINBBGTQDMOF-LLVKDONJSA-N 237.368 3.528 30 20 BHED CN(CC1(CC#N)CC1)[C@@H]1CCC[C@@H]1C(C)(C)C 1653938635 SSHWPRJKZIEBCP-UONOGXRCSA-N 248.414 3.827 30 20 BHED CCC(CC)=NNc1ncc(Cl)cc1Cl 8341986 DHQFNEOCIRDVKV-UHFFFAOYSA-N 246.141 3.976 30 20 BHED CCN(C/C=C/Cl)[C@H](C)c1ccc(C#N)cc1 54340519 RUPVBMXCGHHROJ-OXFRDRNISA-N 248.757 3.694 30 20 BHED CCCCCCC[C@@H](C)NC[C@@H]1CCCO1 59089976 NNQQSVBGVAWJJP-KGLIPLIRSA-N 227.392 3.504 30 20 BHED Cc1ccc(C#N)c(SCC2CCCC2)n1 62836020 BPGSSZDLSZPTBQ-UHFFFAOYSA-N 232.352 3.544 30 20 BHED C[C@H]1C[C@@H](Nc2ccc(CC#N)cc2)CC[C@H]1C 84985153 RDBGYABONDDPSC-WWGRRREGSA-N 242.366 3.989 30 20 BHED CC(C)(CCC#N)CN1CC[C@@H]2CCCC[C@@H]21 92709824 ZFSFBVBCGLVVTQ-KBPBESRZSA-N 234.387 3.581 30 20 BHED CC1(C)CCCC[C@H]1NCc1ccc(C#N)cc1 94278296 CIFPHAHZUPABHH-OAHLLOKOSA-N 242.366 3.617 30 20 BHED C=C(CN[C@H]1CCC[C@H](C)C1)c1ccccc1 97602922 WYGHWYUGNWQXEI-BBRMVZONSA-N 229.367 3.868 30 20 BHED CC1(C)CC[C@H](Nc2cccc(F)c2C#N)C1 129287513 CPZJSMBHGMMUDK-JTQLQIEISA-N 232.302 3.688 30 20 BHED C=C[C@@H](C)N[C@H](CC)c1ccc(CC)cc1 157250468 AUXOFFNUNDUMAH-IUODEOHRSA-N 217.356 3.864 30 20 BHED C=CCCCC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 175695717 LHIYIFDJCKYRAN-MCIONIFRSA-N 235.371 3.522 30 20 BHED C=CC[C@@H](C)N[C@@H]1CSCCc2ccccc21 180953713 HQQSHJOFOKSNHH-IUODEOHRSA-N 247.407 3.571 30 20 BHED C=CCC[C@H](CCC)N[C@H](CCO)C(C)(C)C 185194668 TUJBEVFAJOKEPE-UONOGXRCSA-N 241.419 3.508 30 20 BHED CCCCCCCCn1cnc(C)c1C 226152292 NVQSJLSGSCVPJD-UHFFFAOYSA-N 208.349 3.860 30 20 BHED C#CCCCNc1ccc(Cl)cc1OCC 309935458 ZOYBDVDKHSDDGQ-UHFFFAOYSA-N 237.730 3.564 30 20 BHED Cc1occc1CNc1ccc(C#N)c(Cl)c1 321618113 RTDMLRBDFQRPOR-UHFFFAOYSA-N 246.697 3.725 30 20 BHED C[C@H](S[C@H]1CCCOC1)c1cccc(C#N)c1 335880547 ZCWJWZLLEQNCIH-FZMZJTMJSA-N 247.363 3.531 30 20 BHED C[C@H](C1CCCCC1)N(C)CCCCC#N 338364203 BVGZZVAGLWNCNS-CYBMUJFWSA-N 222.376 3.581 30 20 BHED C=CC[C@@H](CC)N[C@@H]1CCCc2ccc(O)cc21 340542188 MTAQGARYWDYAOD-CZUORRHYSA-N 245.366 3.714 30 20 BHED C=C(Cl)CN[C@H](CC)[C@@H](C)CCC 379377468 XTKQMJRRRSWBIU-GXSJLCMTSA-N 203.757 3.543 30 20 BHED CC[C@H]1CCC[C@@H]1CNC1CCC(C)(C#N)CC1 449435203 VHICAHJKLIMGRP-QRNKSROTSA-N 248.414 3.875 30 20 BHED C[C@H](N[C@H]1CCC[C@H](C#N)C1)[C@H]1CCC[C@@H](C)C1 449765659 JVWLCVAUPMFVJU-YXMSTPNBSA-N 248.414 3.873 30 20 BHED C=CCC1(c2nc(C3CC3)no2)CCCCC1 453020829 LBPZLUOLEJKWIC-UHFFFAOYSA-N 232.327 3.725 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccc(Cl)cn1 453310185 RDJGFEJKZHRQLI-SNVBAGLBSA-N 238.762 3.598 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 467857032 UNPAZUMGVMUDSM-RMRHIDDWSA-N 237.387 3.530 30 20 BHED C=C(C)CN1C[C@@H](C)C[C@@H]1c1ccccc1 513228378 JWFIFNJCKSRURN-DZGCQCFKSA-N 215.340 3.646 30 20 BHED N#CCCCCN[C@H]1CCc2c(Cl)cccc21 531705066 ZNGTYTPMTGJTGS-AWEZNQCLSA-N 248.757 3.611 30 20 BHED C=CCN1CC=C(c2ccc(CC)cc2)CC1 537852991 CANVQDAIHDJMQP-UHFFFAOYSA-N 227.351 3.524 30 20 BHED C[C@H](C#N)CNCc1ccc(C2CCCC2)cc1 580519484 SXGVIYGQIGKNBX-CYBMUJFWSA-N 242.366 3.593 30 20 BHED C[C@@H](CCC#N)CN(C1CC1)[C@@H](C)c1ccco1 602455819 URRWLTFXDZFJIV-STQMWFEESA-N 246.354 3.745 30 20 BHED Cc1ccc([C@H](C)NC[C@H](C)CCC#N)cc1 602517283 FFALQDXKKMMBEI-KGLIPLIRSA-N 230.355 3.586 30 20 BHED C[C@H]1CCc2ccccc2[C@@H]1NCCCCC#N 611392162 NALANHJEYJKCLI-XJKSGUPXSA-N 242.366 3.593 30 20 BHED C=CCCCCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 681144936 FNRUKIOSYWLJPM-UONOGXRCSA-N 249.398 3.697 30 20 BHED C=C(Cl)CN[C@@H]1C[C@@H](c2ccccc2)C1(C)C 766329179 JHBDIARJHPLSQV-UONOGXRCSA-N 249.785 3.911 30 20 BHED C#Cc1cccc(NC[C@H]2C[C@H]2c2ccccc2)c1 766446493 NPEOLIWFOPHSQT-AEFFLSMTSA-N 247.341 3.884 30 20 BHED C#CCCCOc1ccc2ccc(OC)cc2c1 766744226 UDHYMCXJMABJHB-UHFFFAOYSA-N 240.302 3.641 30 20 BHED C#C[C@@H](C)NC(=O)[C@](C)(CC)CCCCCC 772985202 PMPJBYXEKWWUBF-UKRRQHHQSA-N 237.387 3.511 30 20 BHED C#C[C@H](C)NC(=O)[C@@](C)(CC)CCCCCC 772985203 PMPJBYXEKWWUBF-ZFWWWQNUSA-N 237.387 3.511 30 20 BHED CC1=CCC[C@@H](C)[C@@H]1C=NOCc1cccnc1 773210097 VNFUDPFYABQMSQ-UKRRQHHQSA-N 244.338 3.576 30 20 BHED C#CCON=C1CCC[C@@H](C(C)(C)C)CC1 812233152 NLKPMCCDLBNFCJ-GFCCVEGCSA-N 221.344 3.619 30 20 BHED CC[C@H]1CCC[C@@H](C=NOC2CCC2)C1 812235914 RYWBEDIMAANGOF-NWDGAFQWSA-N 209.333 3.758 30 20 BHED CCC1(C)CCC(=NOCCOC(C)C)CC1 812239350 SDIMAVWRDIYLMJ-UHFFFAOYSA-N 241.375 3.774 30 20 BHED C[C@H]1CCC(=NNc2cc(F)c(F)c(F)c2)C1 814864207 UKSVUUZRGBKTIQ-ZETCQYMHSA-N 242.244 3.692 30 20 BHED CCC(=NNc1ccc(C)cn1)C1CCCC1 834954002 IADKYHTZAJZHGE-UHFFFAOYSA-N 231.343 3.758 30 20 BHED CC(CC(C)(C)C)=NNc1ccc(Cl)nc1 834960124 FRRLXLLFGPWKSN-UHFFFAOYSA-N 239.750 3.959 30 20 BHED C[C@H](CC(C)(C)C#N)OC(=O)C[C@@H]1C=CCCC1 851205366 FRQIVAIPVLMVHK-CHWSQXEVSA-N 249.354 3.604 30 20 BHED C=C1CC(c2noc([C@@H](C)c3ccc(C)o3)n2)C1 896882402 KIIRJPPOBPMHGZ-JTQLQIEISA-N 244.294 3.556 30 20 BHED CCc1ccccc1NN=C/C=C/c1ccco1 920373659 HDRYSZUUHBTQEO-URNYPOLCSA-N 240.306 3.953 30 20 BHED CC[C@H](Nc1ccnc(C#N)c1)c1ccccc1 61812207 AKIGXWFZTRCMIW-HNNXBMFYSA-N 237.306 3.516 30 20 BHED C[C@H](c1ccc(C(C)(C)C)cc1)N(C)CC#N 68971715 GLSHPYMXIWDYLL-GFCCVEGCSA-N 230.355 3.500 30 20 BHED CC(=O)c1ccccc1OCCCC(C)(C)C#N 87598909 KTHOGUQDBPPJKZ-UHFFFAOYSA-N 245.322 3.598 30 20 BHED CCN(CCCC(C)(C)C#N)Cc1ccccc1 87608455 CUBAVYVYFNERLY-UHFFFAOYSA-N 244.382 3.838 30 20 BHED CCCCCCCC(=O)NC(CC)CC 117911798 RAYMYJVAHSVMTQ-UHFFFAOYSA-N 213.365 3.652 30 20 BHED CC[C@@H](NCCCC#N)c1ccc(Cl)cc1 120261266 XOSMQALXEKVUKC-CYBMUJFWSA-N 236.746 3.684 30 20 BHED CC(C)(C#N)CN[C@H]1CCCCc2ccccc21 122261386 NQCNCYZBYQTJHT-HNNXBMFYSA-N 242.366 3.593 30 20 BHED C=C(Br)CN[C@@H](CC)C[C@H](C)CC 133320990 SOZDQROJJOYZTB-KOLCDFICSA-N 248.208 3.699 30 20 BHED CCCCCCCC(=O)OC/C=C/Cl 137343894 DQDAHPGZXVTTSA-VQHVLOKHSA-N 218.724 3.643 30 20 BHED C[C@@H]1C[C@@H]2CCCC[C@H]2N1CCCC(C)(C)C#N 245407807 CYILJEQVXVKZEV-QLFBSQMISA-N 248.414 3.969 30 20 BHED C=CCCCCNc1ccc([N+](=O)[O-])cc1F 302297066 XZSIPYYZCAOPBJ-UHFFFAOYSA-N 238.262 3.502 30 20 BHED CC(C)C[C@@H](C)COc1ccc(C#N)cc1F 302318269 JGVKVLMDGJBIPS-LLVKDONJSA-N 235.302 3.758 30 20 BHED C[C@@H]1CCC[C@@H](Nc2ncc(C#N)cc2Cl)C1 339136658 NFDCIUDGLWNDBB-MWLCHTKSSA-N 249.745 3.597 30 20 BHED C=C(C)CSCc1cnn(-c2ccccc2)c1 345514566 BFJJCDZZBSLUBH-UHFFFAOYSA-N 244.363 3.682 30 20 BHED N#CCCCSCCCCC(F)(F)F 359075472 SPKAJZOCOMVPRI-UHFFFAOYSA-N 225.279 3.756 30 20 BHED C[C@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1Cl 439455067 TZJWGQAAWBLAHO-PHIMTYICSA-N 248.757 3.584 30 20 BHED C[C@@H](C1CCCCC1)N(C)CC1(C#N)CCC1 450886093 VRMXAFHWKIGTCH-ZDUSSCGKSA-N 234.387 3.581 30 20 BHED C=CC(C)(C)CNC(=O)C(CCC)CCC 452773666 JGOUMPQEHHYRRH-UHFFFAOYSA-N 225.376 3.531 30 20 BHED C=CCCC1(C(=O)N2CCC(C(C)C)CC2)CC1 476106627 GDYODBOXRZMQEA-UHFFFAOYSA-N 249.398 3.627 30 20 BHED C=C(CC)CN(CC1CCC1)CC(F)(F)F 540203661 ONSLDZYCXLEPNU-UHFFFAOYSA-N 235.293 3.617 30 20 BHED N#CC1(COc2cccc3sccc23)CCC1 594493351 DZZCWDVYJTYHBF-UHFFFAOYSA-N 243.331 3.974 30 20 BHED C[C@@H](CCC#N)CN1CCc2ccccc2[C@H]1C 602461798 LYUVTNBIBMKKNK-UONOGXRCSA-N 242.366 3.546 30 20 BHED CCc1cc(NC[C@H](C)CCC#N)ccc1F 602661166 KBHIHTNSAQCFFK-LLVKDONJSA-N 234.318 3.740 30 20 BHED CCC[C@H](NC[C@H](C)CCC#N)C(C)(C)C 602677573 YQNNBOXQAIZGTA-OLZOCXBDSA-N 224.392 3.731 30 20 BHED Cc1ccnc(CSc2ccc(C#N)cc2)c1 616210697 JTWSBDBBOYOVFF-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2CC)C1 617779367 ZPPRYRAGFDEUCB-QLFBSQMISA-N 249.398 3.627 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H]1C[C@]1(C)C(C)C 620857019 JOYXTJPZHAMBBF-IUODEOHRSA-N 237.387 3.530 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cc2ccncc2s1 657918001 HLBCAFNVJOVFAY-QWRGUYRKSA-N 246.379 3.912 30 20 BHED N#CCC1(CN2CCC[C@H]2C2CCCCC2)CC1 688809013 MWEABPRWMAYYNI-HNNXBMFYSA-N 246.398 3.725 30 20 BHED CCCCCCCN[C@@H](C)c1cnn(CC)c1 705840744 QIUUWPAFQXFJAS-ZDUSSCGKSA-N 237.391 3.524 30 20 BHED CCCNN=C(CCC)C1CCCCC1 727778462 JCBZUNCPDAXLKD-UHFFFAOYSA-N 210.365 3.722 30 20 BHED Cc1ccc(C(=O)/C=C\c2cccc(F)c2F)o1 730730084 UBDDAJHDGMWDND-SREVYHEPSA-N 248.228 3.762 30 20 BHED C#CCNC(=O)[C@](C)(CCC)CCCCCC 742485708 GMMVMBMYNXPTPG-OAHLLOKOSA-N 237.387 3.513 30 20 BHED C=C(Cl)CNC(=O)[C@H](CCCCC)C(C)C 755382236 OQUAYKIGFSTJIZ-GFCCVEGCSA-N 245.794 3.708 30 20 BHED CC(C)Cc1ccc(Cn2ccc(C#N)c2)cc1 755819562 JHYRWSDPVDWVNJ-UHFFFAOYSA-N 238.334 3.607 30 20 BHED C=CC[C@@H]1N(C(=O)C(C)=C(C)C)CCCC1(C)C 767230190 WNQIJWDYWSDMLT-AWEZNQCLSA-N 249.398 3.936 30 20 BHED Cc1cc(/C=C\C(=O)c2ccco2)ccc1F 769772075 VPYHXUCELSMGEZ-ALCCZGGFSA-N 230.238 3.623 30 20 BHED CCCC(CC)=NNCCc1ccccc1F 776187696 LHGWUUSNUIPEKG-UHFFFAOYSA-N 236.334 3.524 30 20 BHED C#CCCCCCC(=O)N[C@@H]1[C@@H](C)CCC[C@H]1C 779806998 LIYIPTOMYBEFOD-FOLVSLTJSA-N 249.398 3.511 30 20 BHED CC(C)C(C)(C)C(=O)OCCCC(C)(C)C#N 784875390 KZFBDIOJEJMXBL-UHFFFAOYSA-N 239.359 3.542 30 20 BHED CCC(CC)CNN=Cc1ccsc1Cl 790176591 QUFQXOYHIBJDGT-UHFFFAOYSA-N 244.791 3.761 30 20 BHED CSCCON=C(C)c1ccc(Cl)s1 794574916 UWIDQXHNXAQTMY-UHFFFAOYSA-N 249.788 3.505 30 20 BHED CC1(C)CCC[C@H](C=NNc2ncccc2F)C1 794980869 QOLZSCDUXZUMJK-NSHDSACASA-N 249.333 3.835 30 20 BHED CCCCCCCC(=O)N1CCC(C)=C(C)C1 796468610 UZNGYGCLYHEJKK-UHFFFAOYSA-N 237.387 3.916 30 20 BHED CCC(=NOC/C=C/Cl)c1ccccc1F 811670558 VKNCSSXEQPWNRG-ISFHODSMSA-N 241.693 3.709 30 20 BHED CCCC(=NOCCOC(C)C)c1ccccc1 812238665 CDFOGNXBLZZOAO-UHFFFAOYSA-N 249.354 3.632 30 20 BHED CC(=NOCCC1CC1)c1ccc(C)cc1C 814246644 UOSLQJAKDLEIBA-UHFFFAOYSA-N 231.339 3.844 30 20 BHED Clc1csc(C=NOCCC2CC2)c1 814247267 YRSWLAJQNFXTOW-UHFFFAOYSA-N 229.732 3.552 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)c1ccc(C)c(C)c1 823047828 KCUKHZBXHMNOTP-UHFFFAOYSA-N 245.366 3.869 30 20 BHED CC(CCCCC#N)=NN[C@H](C)c1ccccc1 841620681 KRIBIMMTSYBLPV-CQSZACIVSA-N 243.354 3.797 30 20 BHED C[C@H](C=NN1CCCC[C@H]1C)C(C)(C)C 853382057 RMNPBPSDXZHUSL-VXGBXAGGSA-N 210.365 3.529 30 20 BHED C=CCN(C(=O)/C=C1/CC[C@@H](C)C1)C(C)(C)C 857651070 QJBAWXAPHVBULX-NPRUJURCSA-N 235.371 3.546 30 20 BHED Cc1cnccc1SCC1(C#N)CCCC1 917777481 JBYRUNNEINLPTN-UHFFFAOYSA-N 232.352 3.566 30 20 BHED Cc1ccc2c(c1)C/C(=C\c1ccccc1)C2=O 921264883 ZTZCVVYIWWNFIH-XNTDXEJSSA-N 234.298 3.817 30 20 BHED Cc1cccc(C)c1CN[C@H](C)CC(C)(C)C#N 925547137 SFPBAOXIMXQBTG-CQSZACIVSA-N 244.382 3.721 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)c1cc(C)cs1 1120814200 YOEUUAGSOWCTBE-GFCCVEGCSA-N 249.379 3.627 30 20 BHED C[C@H](S[C@H](C)C#N)c1ccccc1F 1472983856 ZYWVLAFWTQDIBY-BDAKNGLRSA-N 209.289 3.532 30 20 BHED CCc1csc(Nc2cccc(CC#N)c2)n1 1642700088 RSHWCXVLYSOFRE-UHFFFAOYSA-N 243.335 3.515 30 20 BHED Cc1cc(SC2CCSCC2)ccc1C#N 1652058956 ZSICQOSQYHCSQD-UHFFFAOYSA-N 249.404 3.854 30 20 BHED C[C@H]1CCC[C@H](Nc2cccc(OCC#N)c2)C1 37069516 AOWBBAHDUPISAN-STQMWFEESA-N 244.338 3.580 30 20 BHED C=CCOc1ccccc1CN[C@@H](C)[C@H](C)CC 42553772 IZIUEWYCJQANGX-KGLIPLIRSA-N 247.382 3.776 30 20 BHED CCCCCCCNCc1cc(F)ccc1O 106222946 GCUSBQHREJWVQJ-UHFFFAOYSA-N 239.334 3.591 30 20 BHED C=CCC[C@@H](CCC)N[C@@H](C)c1ccccn1 152421593 GQHVJYGJBVWXNY-UONOGXRCSA-N 232.371 3.867 30 20 BHED CC#CCCCC(=O)NC[C@H](CC)CCCC 184855515 ISJRXOLYVXBCKQ-CQSZACIVSA-N 237.387 3.513 30 20 BHED C[C@@H]1CCC[C@H](CSCCCC#N)C1 190996367 XEVWHMPOQZDZSK-NEPJUHHUSA-N 211.374 3.850 30 20 BHED C=CCC1(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CCC1 191864844 CZLILJAYTMGHDQ-MGPQQGTHSA-N 249.398 3.674 30 20 BHED C#CCCCCNC[C@@H](c1ccccc1)C(C)C 232703984 TXSDZLBVVNIPQM-QGZVFWFLSA-N 243.394 3.819 30 20 BHED Cc1ccsc1C=NNc1ccccc1 252463235 ZXIISSRKPKENHP-UHFFFAOYSA-N 216.309 3.503 30 20 BHED C[C@@H](CCC#N)N[C@@H](C)c1ccc(Cl)cc1 276327357 QESCGKDWGKCFIH-QWRGUYRKSA-N 236.746 3.683 30 20 BHED N#C[C@@H]1CC[C@H](SCc2ccccc2)C1 278495869 BWTYCFLADOSYSX-OLZOCXBDSA-N 217.337 3.612 30 20 BHED C=CCN1CCC(CCc2ccc(C)cc2)CC1 302959748 OMWZWWDAISLFAA-UHFFFAOYSA-N 243.394 3.826 30 20 BHED CC(C)(C)[C@@H]1CCCN1Cc1cc(C#N)cs1 353457585 ZTRNQSYPWYRHGB-ZDUSSCGKSA-N 248.395 3.630 30 20 BHED C=C(C)CCNCc1ccc(C(F)F)cc1 386736571 WYEQLBRNLKJRKN-UHFFFAOYSA-N 225.282 3.680 30 20 BHED Cc1cccc(Cl)c1OCCC(C)(C)C#N 410317875 UIXMKACAZJHYPF-UHFFFAOYSA-N 237.730 3.967 30 20 BHED C=CCOCCS[C@H](C)c1cccc(C#N)c1 419470536 YGHUQQYPLPKVFC-GFCCVEGCSA-N 247.363 3.555 30 20 BHED C=CCOCCCS[C@H]1CC[C@H](C)C1 419475670 OJNLZHSCHRPZHJ-RYUDHWBXSA-N 214.374 3.501 30 20 BHED CC(C)(C)[C@@H]1CC[C@H]1NCc1ccc(C#N)s1 421873234 HGWXSOQFPGTRTC-CHWSQXEVSA-N 248.395 3.534 30 20 BHED CC(C)C[C@@H]1CCC[C@H](NCC2(CC#N)CC2)C1 430021778 KGHKBCRBPVSKJJ-GJZGRUSLSA-N 248.414 3.875 30 20 BHED CC[C@H]1CCC[C@H]1CNCc1cc(C#N)cs1 449433133 KWMHZGMZKHPWBT-STQMWFEESA-N 248.395 3.536 30 20 BHED C[C@H](NCC(C)(C)CC#N)[C@H](C)c1ccccc1 459737989 XCNZCDDRTBYBOK-KBPBESRZSA-N 244.382 3.708 30 20 BHED C=CCN(C(=O)[C@@H]1C[C@@]1(C)CC)c1ccccc1 466411943 IUWBZGQOEQGJQG-GOEBONIOSA-N 243.350 3.642 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H]1CCCC[C@H]1CC 466532456 SUZLWLIPLLYCSZ-HZSPNIEDSA-N 237.387 3.674 30 20 BHED C=C(C)CN(C)C(=O)Nc1ccc(/C=C/C)cc1 497405993 MMDURFVFZMHABF-AATRIKPKSA-N 244.338 3.760 30 20 BHED C=CCCC[C@@H](C)NC(=O)CC[C@H](C)CC 552149910 OWEVXJBIEHESJO-CHWSQXEVSA-N 225.376 3.674 30 20 BHED CC(C)(C#N)CCSCC1=CCCC1 592455548 HBUBFRUWZOHFDJ-UHFFFAOYSA-N 209.358 3.770 30 20 BHED C[C@H](CCC#N)CNc1cnc2ccccc2c1 602617428 OUWBYMNFQWWABL-GFCCVEGCSA-N 239.322 3.587 30 20 BHED N#CCC1(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 723669251 LMPIUTWGGJHKIX-SOUVJXGZSA-N 246.398 3.629 30 20 BHED CC[C@@H](C)C(C)=NNc1cccc(OC)c1 725853286 IIBLSCPGSDPTAS-SNVBAGLBSA-N 220.316 3.529 30 20 BHED CCCCCCCCCC(=O)N(C)CCC 745779940 KSLADVPGSBKCOX-UHFFFAOYSA-N 227.392 3.996 30 20 BHED C#CCCCN[C@H](c1ccc(C)o1)C1CCCC1 756608149 HPJNMZWRBZTPLD-INIZCTEOSA-N 245.366 3.822 30 20 BHED C=CCCCCNC(=S)Nc1cccc(C)c1 769759907 JEJBEHSKIVDWAT-UHFFFAOYSA-N 248.395 3.638 30 20 BHED Cc1cc(/C=C/C(=O)c2ccco2)ccc1F 769772077 VPYHXUCELSMGEZ-FNORWQNLSA-N 230.238 3.623 30 20 BHED CCCC(CC)=NNc1cccc(C#N)c1 776185607 JNKJWOALPRXAKR-UHFFFAOYSA-N 215.300 3.536 30 20 BHED CC(CC1CCC1)=NOCCC(F)(F)F 777459627 KGFUADSDJSHUQA-UHFFFAOYSA-N 223.238 3.522 30 20 BHED C#CCCCCCC(=O)Nc1ccc(CC)cc1 779715051 IPMUFKYSYBGNLE-UHFFFAOYSA-N 243.350 3.771 30 20 BHED CCON=C(C)c1cc2ccccc2s1 780210000 NXLJOLLPFHHJBE-UHFFFAOYSA-N 219.309 3.662 30 20 BHED C[C@@H]1CC[C@@H](C=NNCCCc2ccccc2)C1 800812917 NRQVFESTADMUBZ-GDBMZVCRSA-N 244.382 3.631 30 20 BHED C#C[C@H](C)N[C@@H]1CCC[C@@H]1c1ccccc1Cl 809682780 BUQVHWFAWKYGFQ-NJZAAPMLSA-N 247.769 3.587 30 20 BHED C=CCC(C)(C)C(=O)NC1CCCCCCC1 814102664 RGZUEFUVABJXTA-UHFFFAOYSA-N 237.387 3.818 30 20 BHED CCC(CC)CNN=C1CCC(F)(F)CC1 842532179 XKHAHQNXKIJWDF-UHFFFAOYSA-N 232.318 3.578 30 20 BHED CC(C)O[C@@H](CON=CC1CC1)c1ccccc1 853736318 WGGWIOHISFYELQ-HNNXBMFYSA-N 247.338 3.565 30 20 BHED CC(C)Oc1ccc(NC[C@H](C)CCC#N)cc1 876819083 ICGQAKBVYMNRSX-CYBMUJFWSA-N 246.354 3.826 30 20 BHED Cc1cc(F)ncc1/C=C1/CCCC(C)(C)C1=O 899363760 TWPCAJDWCZCKOM-FLIBITNWSA-N 247.313 3.692 30 20 BHED N#CC1(CSCc2ccsc2)CCC1 901796617 SJHPNFHOKJXIST-UHFFFAOYSA-N 223.366 3.675 30 20 BHED C=C(C)CCN[C@@H](CC)c1cccc(C#N)c1 903008260 MYJFBFUGEYEDOX-HNNXBMFYSA-N 228.339 3.565 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)[C@H](C)[C@H](C)CC 1337679150 IZKZJVQAXKLVHM-MGPQQGTHSA-N 237.387 3.626 30 20 BHED CC(C)(C)[C@H]1CCC[C@H]1Nc1ccc(C#N)cn1 1458425456 DMOUYQKLMIIVGG-QWHCGFSZSA-N 243.354 3.580 30 20 BHED CCCCCCCC(=O)Nc1ncc(C)s1 3160948 VERUPIPVDMHJEZ-UHFFFAOYSA-N 240.372 3.751 30 20 BHED CCCC[C@H](C)N[C@H](C)c1ccc(C#N)cc1 37284462 KNNYHNIZZIJTEG-QWHCGFSZSA-N 230.355 3.788 30 20 BHED CC1(C)CCC[C@H](Nc2cccc(C#N)c2)C1 79971051 HXWRRLNWNBWSMW-AWEZNQCLSA-N 228.339 3.939 30 20 BHED CC(C)(C#N)CCNc1ccc(F)cc1Cl 83638015 PAWJZRKGPUBKKO-UHFFFAOYSA-N 240.709 3.831 30 20 BHED C[C@@H]1CC[C@H](NCCCC(C)(C)C#N)[C@H](C)C1 87598413 GUMJZGGCKWBUII-MCIONIFRSA-N 236.403 3.731 30 20 BHED C#Cc1cccc(N[C@H]2CCC(C)(C)C2)c1 87769148 QZKNANGBVLOUKO-AWEZNQCLSA-N 213.324 3.659 30 20 BHED C#CCCCCN[C@H](C)c1sccc1C 90399052 CTUDLHBLISWILU-GFCCVEGCSA-N 221.369 3.511 30 20 BHED CCCCCCC[S@](=O)c1cccs1 120033374 LTAPIPLMKXNAOX-CQSZACIVSA-N 230.398 3.826 30 20 BHED C=C(C)CN(C)C(=O)N[C@H](C)CCCCCC 180393001 PVLCOVBVIRCQKD-CYBMUJFWSA-N 240.391 3.563 30 20 BHED CC(C)(C)CCCCN[C@H]1CCC[C@H](C#N)C1 185818553 FVMXEKNSEYHIFI-KBPBESRZSA-N 236.403 3.875 30 20 BHED CCCCCCCC(=O)NC(C1CC1)C1CC1 192583280 XEAVDBYCBBTEPR-UHFFFAOYSA-N 237.387 3.652 30 20 BHED O=C(/C=C\c1ccccc1F)c1cccs1 210101694 DVSAXQJFVLCILM-FPLPWBNLSA-N 232.279 3.783 30 20 BHED Cc1cccc([C@@H](C)NCC(C)(C)CCC#N)c1 229699914 JEBAPCLXLVNZIT-CQSZACIVSA-N 244.382 3.976 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H]1CC(C)(C)OC1(C)C 245903988 FAFCNJGXKYFOGY-XQQFMLRXSA-N 239.403 3.523 30 20 BHED C=CC[C@H](C)N[C@H](C)c1nccc2ccccc12 290671735 LHCZEYTWZMJHFL-QWHCGFSZSA-N 240.350 3.850 30 20 BHED CCC(CC)Nc1c(Cl)cccc1C#N 301211134 VDAAVRYXYYUYES-UHFFFAOYSA-N 222.719 3.812 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCC12CCCC2 309212607 SZYJWOMJKGJXKX-QWHCGFSZSA-N 207.361 3.654 30 20 BHED C=CC[C@H](C)[C@H](C)NCC(C)(C)CCC#N 309734952 GEEVTUBXOVFTNK-STQMWFEESA-N 222.376 3.507 30 20 BHED C=CCC(C)(C)CNc1ccc(C#N)cc1 309839723 OBVCHTQPQRWCHJ-UHFFFAOYSA-N 214.312 3.572 30 20 BHED CC[C@@H]1CC[C@@H](C)N(CCCC(C)(C)C#N)C1 310090156 DOKHDELSJCHLEN-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED C=CC[C@@H]1N(C(=O)CC2(C)CC2)CCCC1(C)C 347428882 KKNJYJIALVWOJR-ZDUSSCGKSA-N 249.398 3.770 30 20 BHED C=C[C@H](C)NC[C@H](C)c1cccc(Cl)c1 382354715 GBAFZFZVEAHASD-QWRGUYRKSA-N 223.747 3.608 30 20 BHED C=CCC[C@@H](CC)NC[C@H]1CCC(F)(F)C1 393736718 ACVGNRWTZGBGFB-NWDGAFQWSA-N 231.330 3.756 30 20 BHED CC[C@@H](NC[C@@H]1CC1(C)C)c1ccc(C#N)cc1 447581814 WIIWYPBVDWFQJK-LSDHHAIUSA-N 242.366 3.645 30 20 BHED C=CCCCCCN(C)C(=O)[C@@H](C)[C@@H](C)CC 503118803 QDPGNLBVAFCWQJ-KBPBESRZSA-N 239.403 3.873 30 20 BHED C=C(C)CCc1noc(-c2ccc(CC)cc2)n1 508644448 DAPPOCKVXJLNLA-UHFFFAOYSA-N 242.322 3.808 30 20 BHED C=CCC[C@H](CC)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 520290182 WPGYQITZVFERBL-PQEBFOHHSA-N 241.378 3.659 30 20 BHED C=CCCN(CCC)CC1CCCCC1 525328573 GUSKKHIIRHIALD-UHFFFAOYSA-N 209.377 3.855 30 20 BHED CCN(C[C@H]1CCCC(C)(C)C1)C[C@@H](C)C#N 535787416 SIKSAUGNHKERRH-KBPBESRZSA-N 236.403 3.684 30 20 BHED C=CCNc1cnn(CCC(C)C)c1C(C)C 556095552 YFQTZWFLXVOLJS-UHFFFAOYSA-N 235.375 3.651 30 20 BHED CCc1cc(N[C@H]2CCC[C@H](C#N)C2)ccc1F 586794885 TZYFFQAPOAXAOX-AAEUAGOBSA-N 246.329 3.882 30 20 BHED CN(CCCC1CCC1)Cc1cccc(C#N)c1 595289997 RZXISCMVYMMASF-UHFFFAOYSA-N 242.366 3.570 30 20 BHED Cc1ccc([C@@H](C)CN(C)CC(C)(C)C#N)cc1 600169602 OABMFECPHHHAJR-AWEZNQCLSA-N 244.382 3.580 30 20 BHED Cc1ccc(-c2nc(C3CC3)cs2)cc1C#N 600795047 WFSGMWOQCCYPNL-UHFFFAOYSA-N 240.331 3.868 30 20 BHED CC[C@H](CNC[C@@H](C)CCC#N)c1ccccc1 602503641 NOLJWWYGUDYSBU-LSDHHAIUSA-N 244.382 3.710 30 20 BHED C=CCC1(NC(=O)[C@@H]2CCCC2(C)C)CCCC1 619110485 GJWGAQFFEJFFSA-ZDUSSCGKSA-N 249.398 3.818 30 20 BHED C=CCC(C)(C)c1nc([C@@H](C)c2ccco2)no1 621793588 BTRSJYICYKUCEP-JTQLQIEISA-N 246.310 3.668 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 626370088 AVMXDUYGEXIRKV-YXWQFLTLSA-N 249.398 3.674 30 20 BHED C=C(C)CCN1CC[C@H]1c1ccc(F)cc1 661510493 BRIVQBITEMJYBO-AWEZNQCLSA-N 219.303 3.539 30 20 BHED CC[C@H](C)C[C@H](C)/N=C/c1cc(OC)ccc1O 743041810 CPPFDHYGSUIMFJ-ATARQRRYSA-N 249.354 3.644 30 20 BHED C=C(Cl)CN[C@@H](Cc1ccc(C)cc1)C1CC1 773005068 NYHLEMDKJZXWBC-HNNXBMFYSA-N 249.785 3.658 30 20 BHED Cc1cccc(/C=C/C(=O)c2cscn2)c1C 776192126 IGMXUWFMPODLPF-VOTSOKGWSA-N 243.331 3.656 30 20 BHED C=CCCSCc1ccc2c(c1)COC2 778045742 GFKXZWOTMLMYKG-UHFFFAOYSA-N 220.337 3.526 30 20 BHED C#CCCCN[C@H](C)[C@H](C)c1ccc(Cl)cc1 792998808 CGSZYSZYIANNHC-QWHCGFSZSA-N 249.785 3.835 30 20 BHED Cc1cccc([C@@H](C)SCCO[C@H](C)C#N)c1 802752796 TXPAKTABWGIXOR-CHWSQXEVSA-N 249.379 3.718 30 20 BHED CC(C)(C)CCCOC(=O)CCCCCC#N 805695005 FGHFXRLNFJJFJW-UHFFFAOYSA-N 239.359 3.830 30 20 BHED C#Cc1ccc(CNC[C@H](C)c2ccccc2)cc1 809601571 GHONAIZRSIAGLV-HNNXBMFYSA-N 249.357 3.561 30 20 BHED Cc1cccc(C(C)C)c1NN=C1CCO[C@@H]1C 812232672 JZHUSTKWARLROH-GFCCVEGCSA-N 246.354 3.695 30 20 BHED C=CCCCC(=O)N1CC[C@@H](C2CCCCC2)C1 855637379 ZHDMHQWZYVYMGK-OAHLLOKOSA-N 249.398 3.772 30 20 BHED CCCCCCCNC(=O)C1CC2(CCC2)C1 862355373 OUGGHJFPCMYLMP-UHFFFAOYSA-N 237.387 3.653 30 20 BHED C[C@H]1C[C@H]1C=NNc1ccc(F)c(Cl)c1 863179461 XDANKHYWWVWHAR-YUMQZZPRSA-N 226.682 3.533 30 20 BHED CC(=NNc1cccc(F)c1)c1ccc(F)cc1 920383777 KWTONSOFMLZOBB-UHFFFAOYSA-N 246.260 3.801 30 20 BHED C=C(CC)C(=O)N[C@@H](C)c1ccccc1SC 1123773721 QCVBCNOEBSSAKN-NSHDSACASA-N 249.379 3.552 30 20 BHED CC(=NOC(C)(C)C)c1csc(Cl)c1 1326161094 JXHHQLMOAPLNOM-UHFFFAOYSA-N 231.748 3.941 30 20 BHED C=C(C)CCC(=O)Nc1ccccc1OCCC 1336894759 VSIGXJWVMHHBSM-UHFFFAOYSA-N 247.338 3.770 30 20 BHED C=C(Cl)CN1CCc2c(cccc2C(C)C)C1 1559807541 HLGXYXQEPNYPFQ-UHFFFAOYSA-N 249.785 3.921 30 20 BHED CC(C)C[C@@]1(C)CCCN1CC1(CC#N)CC1 1654517330 FVIWTJYETVWQJN-CQSZACIVSA-N 234.387 3.581 30 20 BHED C=CCN(CCCC)Cc1cccs1 57621008 RTZIYWSIZCOJLG-UHFFFAOYSA-N 209.358 3.536 30 20 BHED C=CCCNc1cccc(Cl)c1Cl 70591488 UQSASPYISUFSTO-UHFFFAOYSA-N 216.111 3.981 30 20 BHED N#Cc1ccc(N[C@H](c2ccccc2)C2CC2)nc1 73448367 GHICIGQAAQZRQX-MRXNPFEDSA-N 249.317 3.516 30 20 BHED C=CCCC(=O)N(CC)c1cc(C)cc(C)c1 102227056 YZJBNJQZUDKMKK-UHFFFAOYSA-N 231.339 3.623 30 20 BHED C=CC1CCN(C(=O)C2(CC(C)C)CCC2)CC1 120008920 NBODEGWNARLOJN-UHFFFAOYSA-N 249.398 3.627 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cccc(C)c1C 129650998 YLLOTHOQSZIXPK-TZMCWYRMSA-N 217.356 3.919 30 20 BHED C=C(Cl)CN[C@@H](CC(C)C)c1ccccn1 129785683 RCJNVHXYQGLMQV-ZDUSSCGKSA-N 238.762 3.511 30 20 BHED C=C(Cl)CN[C@H](CC(C)C)c1ccccn1 129785909 RCJNVHXYQGLMQV-CYBMUJFWSA-N 238.762 3.511 30 20 BHED C=CCOc1ccccc1CN[C@H](C)C(C)(C)C 130818045 URNICOWQTYKRMZ-CYBMUJFWSA-N 247.382 3.776 30 20 BHED C=CCCCCCN(C)Cc1csc(C)n1 150883365 RKXGGIMWWJZYJQ-UHFFFAOYSA-N 238.400 3.630 30 20 BHED C#CCCCC(=O)Oc1ccccc1[C@H](C)CC 192063600 PIPHBCGHAXMTIS-CYBMUJFWSA-N 244.334 3.909 30 20 BHED C=C(C)CN(CC)[C@@H](C)c1ccc(F)c(F)c1 195732901 LWALDKYDQBMLLF-NSHDSACASA-N 239.309 3.924 30 20 BHED CCC1(CN[C@H](C)c2ccc(C#N)cc2)CCC1 227758298 OJYXQYQBLFDXHG-CYBMUJFWSA-N 242.366 3.789 30 20 BHED C=CCC(CC=C)C(=O)N1[C@H](C)CC[C@H]1CC 271429550 MSRUFDWRMBGFLL-TZMCWYRMSA-N 235.371 3.544 30 20 BHED CC(C)CN(CCC#N)CCCC(C)(C)C 303794412 LRJMWUGHEKCBPT-UHFFFAOYSA-N 224.392 3.684 30 20 BHED C=C(CC)CN[C@@H]1CCCC[C@@H]1SCC 309045365 ODHHHDAMKMEZSF-OLZOCXBDSA-N 227.417 3.607 30 20 BHED Cc1ccc(SCc2cccc(C#N)c2)nc1 357314043 LFEWFVAZWRJHBF-UHFFFAOYSA-N 240.331 3.554 30 20 BHED CCCCCCCNCc1occc1C 380092534 NLCFPOXSASPXSB-UHFFFAOYSA-N 209.333 3.648 30 20 BHED C=CC[C@H](C)N[C@H](C)[C@H]1CC2CCC1CC2 382195514 RLDJFPKSZRLTHU-FKQQDJLNSA-N 221.388 3.755 30 20 BHED C=CCCCCC[C@@H](C)N[C@@H]1CCCSC1 390515091 CSDQPLDUEDBTOX-ZIAGYGMSSA-N 241.444 3.997 30 20 BHED N#Cc1ncc(-c2ccc(Cl)cc2Cl)o1 409429759 SPDOLGYHEOZIQV-UHFFFAOYSA-N 239.061 3.520 30 20 BHED C=CCCC(=O)NCC1CCC(C(C)C)CC1 432334185 FGQDFVYAJYNAHZ-UHFFFAOYSA-N 237.387 3.531 30 20 BHED CC(C)(C#N)CCCN1CCCCC(C)(C)C1 446065923 FJWAUOQXLZHERH-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C=C(C)CCNC/C=C\c1ccc(F)cc1F 449472839 GHWXTVDERAAZFD-ARJAWSKDSA-N 237.293 3.534 30 20 BHED CC[C@H](C)[C@@H]1CCCCN1CC1(C#N)CCC1 450428161 HGJXFBFNZBTMAR-KBPBESRZSA-N 234.387 3.581 30 20 BHED CCCCC[C@H]1CCCN1CC1(C#N)CCC1 450502990 UFGOYBRBANSGAE-AWEZNQCLSA-N 234.387 3.725 30 20 BHED C=CCCN1C[C@@H](C)Oc2ccc(Cl)cc21 464777029 LTVDQCUQHIRHDL-SNVBAGLBSA-N 237.730 3.503 30 20 BHED C=CC[C@@H](CC)NC(=O)C1(CC(C)C)CCC1 466539377 LNFJIZPJBUONML-CYBMUJFWSA-N 237.387 3.674 30 20 BHED C=C(C)C[C@H](C)C(=O)N1CCC2(CCCC2)CC1 466643938 ZHKSTCCPTCDINQ-AWEZNQCLSA-N 249.398 3.772 30 20 BHED CCN(Cc1ccc(C#N)c(C)c1)[C@H](C)C(C)C 486740604 HYRQEFOTZSZFOW-CQSZACIVSA-N 244.382 3.733 30 20 BHED CCCc1ccc(CN(CC)C[C@@H](C)C#N)cc1 505891947 SLFXQKRNYMRLRN-AWEZNQCLSA-N 244.382 3.621 30 20 BHED CC(C)C1CCC(CN[C@@H]2CC[C@H](C#N)C2)CC1 511990542 OPFSLOQVUQHSJT-BHDPWAOGSA-N 248.414 3.731 30 20 BHED C=C(CC)CN1[C@H]2CCCC[C@H]2C[C@H]1C 536894431 VCJIBFFXDAHJDU-RDBSUJKOSA-N 207.361 3.606 30 20 BHED C=C(CC)CSc1ccc2c(c1)OCCO2 539113926 CLGBYCVUJSATHS-UHFFFAOYSA-N 236.336 3.516 30 20 BHED C=CCC(C)(C)C(=O)NCCCC(C)(C)C 556293959 YEVYIZUHQXZODU-UHFFFAOYSA-N 225.376 3.531 30 20 BHED C=CCCC1(C(=O)N(C)[C@H](C)CCCC)CC1 569465662 MSQXMTWBZOGGCB-CYBMUJFWSA-N 237.387 3.770 30 20 BHED C=CCCCC[C@H](C)NCCc1ccc(C)nc1 580873837 OPWRKCSWTFFZOM-AWEZNQCLSA-N 246.398 3.657 30 20 BHED CCCC(C)(C)C(=O)Nc1cccc(C#N)c1C 593100239 GSNLSQFXMCCPBN-UHFFFAOYSA-N 244.338 3.632 30 20 BHED CCCC[C@@H]1CCC[C@H]1Nc1cccc(C#N)n1 609892603 NHHKVZHFWLGWCR-TZMCWYRMSA-N 243.354 3.724 30 20 BHED C[C@]1(C#N)CCCN(CCCC2CCCC2)C1 612163030 NKRVCNXBZLWODP-OAHLLOKOSA-N 234.387 3.582 30 20 BHED C=CCC[C@H](NCCCOC(C)(C)C)C1CC1 658187605 XLDNHEHLNITUPY-AWEZNQCLSA-N 239.403 3.526 30 20 BHED C=CCCCCOc1cccc2cnoc12 664038703 KVIPXMSPSYOVRK-UHFFFAOYSA-N 217.268 3.563 30 20 BHED C=C(CNC(=O)CCC(C)(C)C)c1ccccc1 673342393 DYMOPTPUUFRNSH-UHFFFAOYSA-N 245.366 3.642 30 20 BHED N#CCc1cccc(N[C@H]2CCC23CCCC3)c1 694472641 JOPJEXWDSLXMKA-HNNXBMFYSA-N 240.350 3.887 30 20 BHED C#CCCOC(=O)[C@H](CC)CC1CCCCC1 734080209 LVCLGFJSHCRFGL-CQSZACIVSA-N 236.355 3.550 30 20 BHED C=CCCCOC(=O)C[C@@H]1CCC[C@@H](C)C1 735535662 XSYWEENQTLZEEM-CHWSQXEVSA-N 224.344 3.712 30 20 BHED C=C(C)CCOC(=O)[C@@H](c1ccccc1)C(C)C 744304509 QJVFPLQZFLOVOF-OAHLLOKOSA-N 246.350 3.936 30 20 BHED CC(=NNc1ccccc1)c1ccsc1 749099403 OMORZIVBHHIADU-UHFFFAOYSA-N 216.309 3.584 30 20 BHED CC(C)C(=NNc1cc(F)cc(F)c1)C1CC1 750935533 CBBMETYKTJRDMS-UHFFFAOYSA-N 238.281 3.799 30 20 BHED C[C@H]1C[C@H]1C=NNc1ccccc1C(F)(F)F 758359233 PCTOEKOQKNJISM-IUCAKERBSA-N 242.244 3.759 30 20 BHED C[C@H]1C[C@H]1C=NNc1cccc2ccccc12 758374206 CVVWPNDEGWQCGT-AAEUAGOBSA-N 224.307 3.894 30 20 BHED C#CCCN[C@@H](c1ccc(F)cc1)C(C)(C)C 764236685 XTMRCZHHONGQAT-AWEZNQCLSA-N 233.330 3.526 30 20 BHED CCCCNN=Cc1cccc(SCC)c1 769781251 NBDQNKIVNASMLF-UHFFFAOYSA-N 236.384 3.522 30 20 BHED C=C(CC)CN1Cc2ccccc2[C@H](C)C1 773409217 LBKXMJDPLDOBAX-CYBMUJFWSA-N 215.340 3.572 30 20 BHED CC(C)(C#N)CCCOC(=O)C[C@H]1C=CCCC1 784832275 MAKACROZLVGPME-ZDUSSCGKSA-N 249.354 3.606 30 20 BHED CCCCCCCCC[C@@H](C)CC(=O)NO 787866889 GRRVSDQQALXOBG-GFCCVEGCSA-N 229.364 3.659 30 20 BHED CCC(C[C@H](C)CC)=NNc1cccc(F)n1 795008103 VSVFCZWJFQKDCJ-SNVBAGLBSA-N 237.322 3.835 30 20 BHED CCC(CC)(CC)SCCO[C@@H](C)C#N 801659331 DKRLSABWXOOKKH-NSHDSACASA-N 229.389 3.617 30 20 BHED C#Cc1ccc(CNc2ccc(C)cc2)cc1 809424826 MXMBOEHXXFQVEB-UHFFFAOYSA-N 221.303 3.588 30 20 BHED Cl/C=C\CON=C1CCC[C@H](C2CC2)C1 811672319 WJAHDGDPOLYOOA-WBBWOIRKSA-N 227.735 3.712 30 20 BHED CC1=CCC[C@@H](C)[C@H]1C=NOC1CCC1 812235067 JVGFTUGPJYNFQL-YPMHNXCESA-N 207.317 3.534 30 20 BHED c1ccc(CC(=NOC2CCC2)C2CC2)cc1 812236669 QTWBEKQRDJAYAE-UHFFFAOYSA-N 229.323 3.564 30 20 BHED CC[C@@H](C)NN=C1CC[C@@H](c2ccccc2)C1 814913537 PFKIGVPIOJRMJS-TZMCWYRMSA-N 230.355 3.698 30 20 BHED Cl/C=C/CON=C1CC(c2ccccc2)C1 814933847 CGPIGOOZSQHQCJ-OCCDZXQBSA-N 235.714 3.689 30 20 BHED Cc1ccc(C2CC(=NOC(C)C)C2)cc1 835000239 KZMJRKRGXNQQIO-UHFFFAOYSA-N 217.312 3.653 30 20 BHED CCCON=C[C@H]1CCC[C@@H](C(F)(F)F)C1 853368075 BCKIGRGUCJGOKW-VHSXEESVSA-N 237.265 3.768 30 20 BHED C=CCC(C)(C)C(=O)Nc1c[nH]c2ccccc12 888115346 QNSPIZUHCOXSOE-UHFFFAOYSA-N 242.322 3.709 30 20 BHED C=CCc1ccccc1OCC(=C)Cl 915667886 XWJSZTFMAIYWJM-UHFFFAOYSA-N 208.688 3.546 30 20 BHED CC(C)n1ccnc1SCC1(C#N)CCCC1 916538442 GFSMKJCTWUNPMG-UHFFFAOYSA-N 249.383 3.640 30 20 BHED Cc1ccc2c(c1)C/C(=C/c1ccccc1)C2=O 921264881 ZTZCVVYIWWNFIH-GDNBJRDFSA-N 234.298 3.817 30 20 BHED C[C@H](CCC#N)N1CC[C@@H](C)C2(CCCCC2)C1 1169542339 ZMUAIUBHGLPUCI-HUUCEWRRSA-N 248.414 3.971 30 20 BHED CCCCCCCc1nnc(-c2ccccn2)o1 1322661605 ZCQCEZKQKMFTHE-UHFFFAOYSA-N 245.326 3.645 30 20 BHED C=C(C)CCC(=O)Nc1ccc(C)cc1NCC 1358159507 OZWIOJQVCXSAFJ-UHFFFAOYSA-N 246.354 3.722 30 20 BHED CC[C@@H]1C[C@H]1CN(C)[C@H](C)c1cccc(C#N)c1 1643522648 ACZJODSGOFUSBO-XPKDYRNWSA-N 242.366 3.597 30 20 BHED C=C(Cl)CN1CC[C@@H](c2ccc(C)cc2C)C1 1645499130 PGQJUTJDRYNKDM-CQSZACIVSA-N 249.785 3.845 30 20 BHED Cc1ccsc1CNc1ccc(F)c(C#N)c1 51635201 CKHGBDSGYCLSPV-UHFFFAOYSA-N 246.310 3.679 30 20 BHED CC[C@H](C)C[C@@H](C)Nc1snc(C)c1C#N 86254766 PCRKYUDCVNLAGP-DTWKUNHWSA-N 237.372 3.560 30 20 BHED C=CCS[C@H](C)C(=O)Nc1c(C)cccc1C 114756941 LMFLUOPLVDRLAS-GFCCVEGCSA-N 249.379 3.550 30 20 BHED C[C@H](CNc1ccc(C#N)c(Cl)c1)C1CC1 123138094 MRWDSCQDAXVCQY-SECBINFHSA-N 234.730 3.670 30 20 BHED C=C(C)CN(Cc1ccc(C)s1)C(C)C 138936356 HCRRMEMLBPHLIV-UHFFFAOYSA-N 223.385 3.843 30 20 BHED C=CCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1CC 176906670 FEUGOAMBOFQLHE-UONOGXRCSA-N 237.387 3.770 30 20 BHED C[C@@H]1CCC[C@@H](N(C)Cc2cc(C#N)cs2)C1 180045444 QLNCTUVLUHYLPQ-DGCLKSJQSA-N 248.395 3.630 30 20 BHED C=CCCCN[C@@H](C)c1ccc(F)cc1F 181584377 WCRUQMYRGSIZIN-JTQLQIEISA-N 225.282 3.582 30 20 BHED Cc1cncc(C(=O)/C=C/c2ccccc2C)c1 184768857 GLHVRABKQMVDMQ-BQYQJAHWSA-N 237.302 3.595 30 20 BHED CC(C)CC(C)(C)CN[C@H]1CCC[C@H](C#N)C1 185853595 IVLYCVAFRNWFAP-KBPBESRZSA-N 236.403 3.731 30 20 BHED C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]2CCCC[C@H]21 185949114 GQPIGJBJZPVROV-RBSFLKMASA-N 249.398 3.770 30 20 BHED C[C@H]1CCCC[C@H]1CNc1cccc(C#N)c1 227613756 KJXXVMTUBRVIJS-JSGCOSHPSA-N 228.339 3.796 30 20 BHED C=CCC[C@@H](C)Nc1ccc(Cl)nc1C 228094167 MJRNUUNHIGVABU-SECBINFHSA-N 224.735 3.810 30 20 BHED CC(C)(CCC#N)CN[C@H]1CCCc2occc21 229672399 VSWPHFDLQZOODE-ZDUSSCGKSA-N 246.354 3.577 30 20 BHED CC(C)(C#N)CCCCN1CCCCCC1 232527822 YVSOIZTWKFQBBM-UHFFFAOYSA-N 222.376 3.582 30 20 BHED CC[C@H](CC#N)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 251333117 IWXISXPBWQFNKF-LXTVHRRPSA-N 234.387 3.627 30 20 BHED C=C(C)C[C@H](C)c1nc(-c2ccnc(C)c2)no1 289065642 IONXXVZIAQHAJW-JTQLQIEISA-N 243.310 3.510 30 20 BHED Cc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1Cl 309881914 VVLGQDXCQPVXBG-QWRGUYRKSA-N 234.730 3.753 30 20 BHED C=C(CC)CNc1cccc(C(=O)CC)c1 309983628 XGYSXWKXUMDDOW-UHFFFAOYSA-N 217.312 3.657 30 20 BHED C[C@@H]1CC(Nc2cccc(CC#N)c2)C[C@@H](C)C1 313405789 CHCQBVAUJOOTMC-STQMWFEESA-N 242.366 3.989 30 20 BHED C=C(CC)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 313506337 QYJVUSIECXKGNN-LBPRGKRZSA-N 248.326 3.520 30 20 BHED C=C1CCN(Cc2ccccc2SC)CC1 358038538 GWQIUOLLOMZQLJ-UHFFFAOYSA-N 233.380 3.561 30 20 BHED C=C(C)CCN[C@H](CC)c1ccsc1 395739809 TYKIMLXTVLWPTC-GFCCVEGCSA-N 209.358 3.755 30 20 BHED N#Cc1ccc(CNC2CCCCCC2)cc1F 404149426 QUGCEWXEDULJGC-UHFFFAOYSA-N 246.329 3.510 30 20 BHED CC(C)(C#N)CCSc1ccc2[nH]ncc2c1 413013845 BXTUSBOTIKGQGP-UHFFFAOYSA-N 245.351 3.595 30 20 BHED N#C[C@@H]1CC[C@@H](Nc2cccc3ccccc23)C1 442839044 MEQRFHUPNDOIFI-TZMCWYRMSA-N 236.318 3.944 30 20 BHED N#CC1(CSc2ccc3c(c2)CCC3)CCC1 450709880 FSIKGMVPNFCETI-UHFFFAOYSA-N 243.375 3.961 30 20 BHED C=CCN1Cc2ccccc2C[C@@H]1c1ccccc1 464728221 XXSDRQPAKONECG-GOSISDBHSA-N 249.357 3.972 30 20 BHED C=CCCCC(=O)NCC1(CC(C)C)CCC1 465095628 QKKBTZJMQPCKJU-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCN(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 475731060 MIPQSGIIMSRJCG-RYUDHWBXSA-N 237.774 3.950 30 20 BHED C=CCN(CCCc1cccc(C)c1)C1CC1 481292079 YHYQSJYUWXZPCC-UHFFFAOYSA-N 229.367 3.578 30 20 BHED C=C(CC)CSCc1ccc(C#N)cc1F 539094741 GEARAIYIYKXKIC-UHFFFAOYSA-N 235.327 3.897 30 20 BHED C=CCC[C@@H](C)NCc1coc2ccccc12 556218052 QKYGJGXDZNNJQP-GFCCVEGCSA-N 229.323 3.877 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 556345675 VRCUGJFMTJCQTQ-HZSPNIEDSA-N 249.398 3.674 30 20 BHED N#Cc1c(NC[C@@H]2CC23CC3)cccc1C(F)F 583703839 LRKMOXYTABDCLX-VIFPVBQESA-N 248.276 3.708 30 20 BHED CCC(CC)CC(=O)Nc1ccccc1CC#N 588986973 QABZYPRYIPTRTA-UHFFFAOYSA-N 244.338 3.517 30 20 BHED N#CCC1(CNc2ccc(C3CC3)cc2)CC1 594701952 CXLXSTLSUBJDQW-UHFFFAOYSA-N 226.323 3.670 30 20 BHED CC[C@@H](C)n1cc(-c2ccc(F)c(C#N)c2)cn1 600781540 FHBIKNOTSCLDCK-SNVBAGLBSA-N 243.285 3.532 30 20 BHED CCCOc1cccc(NC[C@H](C)CCC#N)c1 602484636 OELDXXHDULMJKS-CYBMUJFWSA-N 246.354 3.827 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCC(F)(F)C1 657955316 ZQTYMUBSQUDWBQ-UPJWGTAASA-N 243.341 3.899 30 20 BHED C=C(C)CN(CC)Cc1cc2ccncc2s1 667473930 ZFDNCELLAHXMLF-UHFFFAOYSA-N 246.379 3.694 30 20 BHED Fc1cccc(F)c1NN=CC1CCCCC1 735619397 MIBAWBRYSISFGA-UHFFFAOYSA-N 238.281 3.943 30 20 BHED C=C(C)CCOC(=O)c1cccc(F)c1Cl 744303582 JERXRKDJMNJVAC-UHFFFAOYSA-N 242.677 3.602 30 20 BHED C1CCCC(=NO[C@@H]2CCCCO2)CCC1 755822798 OGJVUPKFEZZOFN-CYBMUJFWSA-N 225.332 3.630 30 20 BHED Fc1ccc2[nH]cc(C=NOC3CCCC3)c2c1 774601317 BRTINSATVFCRSU-UHFFFAOYSA-N 246.285 3.600 30 20 BHED Fc1ccc(/C=C/C=NNC2CCCCC2)cc1 786040708 QQTAUHQXGNBYDY-QQTWPTJBSA-N 246.329 3.747 30 20 BHED CC(C)CCC(=NO[C@H]1CCCCO1)C1CC1 802712769 USUSUSFVCWPUMT-AWEZNQCLSA-N 239.359 3.732 30 20 BHED C=CCCCCCCNC(=O)C(C)(C)C1CC1 807702908 KEXPJEWHXJOKPI-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C#C[C@H](NC(=O)CCCC1CCCC1)C(C)(C)C 807880115 RGEFZPNQQSPZQL-AWEZNQCLSA-N 249.398 3.511 30 20 BHED CC[C@@H]1CCC1=NNc1c(C)cccc1F 807985389 GFQKEXKSOATQEG-SNVBAGLBSA-N 220.291 3.722 30 20 BHED Cc1cccc(C(C)C)c1NN=Cc1cc[nH]c1 812232849 NCSAVDIYYRVYPR-UHFFFAOYSA-N 241.338 3.893 30 20 BHED CC(C)[C@@H]1CCCC1=NN[C@@H](C)c1ccncc1 819816045 FVQRYPBHSNWNJY-JSGCOSHPSA-N 245.370 3.544 30 20 BHED C[C@@H]1CC[C@@H](C)C(=NN[C@H](C)c2ccncc2)C1 819817626 CKYSMUBGWCPAMM-JHJVBQTASA-N 245.370 3.544 30 20 BHED CCC[C@@H](CC(C)C)C(=O)O[C@@H](CC)CC#N 835341600 WGUKOEZRMFAWFK-STQMWFEESA-N 239.359 3.684 30 20 BHED CC[C@@H](C)CON=C(C)CCCCC#N 841642390 PEXZAVDOQYXUJX-LLVKDONJSA-N 210.321 3.509 30 20 BHED C=C[C@H](C)ON=CC1CCC(C(F)(F)F)CC1 844623632 DPNKWSHBQDDIIM-WHXUTIOJSA-N 249.276 3.932 30 20 BHED C[C@H](CC(C)(C)C#N)OC(=O)[C@H](C)C(C)(C)C 851210936 ZXZDGDPEFWCDCC-MNOVXSKESA-N 239.359 3.540 30 20 BHED CC[C@@H](C)CC=NNc1ccc(Cl)cn1 853435379 OHXBJFFKVZIYMM-SECBINFHSA-N 225.723 3.569 30 20 BHED C=C/C=C\CCN(C)[C@H](C)c1cccc(C#N)c1 878728222 KXWHOPSALHIEKK-GEXIGZQTSA-N 240.350 3.683 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H](c1ccccn1)C1CC1 903340043 OVMUEGUJQVJUSQ-XEZPLFJOSA-N 244.382 3.723 30 20 BHED Cc1cccc(NN=C[C@H]2CC=CCC2)c1 916255997 HSDCTOKHGYNAGM-ZDUSSCGKSA-N 214.312 3.749 30 20 BHED C=C(C)CCC(=O)Nc1ccccc1CC 1336437837 GWGQAPQKGLPOLU-UHFFFAOYSA-N 217.312 3.544 30 20 BHED C=C(CC(C)C)C(=O)Nc1cc(F)ccc1C 1347240015 SOGFFCPWUJYCHU-UHFFFAOYSA-N 235.302 3.675 30 20 BHED CCC(CC)CN(CCC#N)CCCC1CC1 1657472106 SGKFHYZYOMDZGS-UHFFFAOYSA-N 236.403 3.828 30 20 BHED Cc1cccc(C(=O)/C=C/c2ccc(C#N)cc2)c1 23164359 AHSHZLFHDYLNBD-MDZDMXLPSA-N 247.297 3.763 30 20 BHED Cc1cc(C)cc(Nc2snc(C)c2C#N)c1 92912256 RHVOUJICNBSIJR-UHFFFAOYSA-N 243.335 3.684 30 20 BHED C=CCN(C(=O)OC1CCCC1)c1ccccc1 140143938 HQOCTTKCBDYACY-UHFFFAOYSA-N 245.322 3.758 30 20 BHED C=CC[C@H](C)N[C@@H](CC)c1ccc(OC)cc1 163312971 FZQULDMMHATOBV-WFASDCNBSA-N 233.355 3.701 30 20 BHED C=CCCN[C@H](C)c1ccccc1OC(F)F 163900437 ONWLMAIGUQXYTQ-SNVBAGLBSA-N 241.281 3.515 30 20 BHED CCCCCCC[S@](=O)c1ccoc1C 189613809 HCDMVXHVBCKVID-HNNXBMFYSA-N 228.357 3.666 30 20 BHED Cc1ccc(/C=C/C(=O)c2ccccc2C#N)cc1 194590305 MCQZGIFIICTPTJ-ZHACJKMWSA-N 247.297 3.763 30 20 BHED C=CCCNc1cc(C)cc(Br)c1 230225104 COGQWPOMDDORMU-UHFFFAOYSA-N 240.144 3.746 30 20 BHED C=CCC1(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CCC1 248697554 CZLILJAYTMGHDQ-HZSPNIEDSA-N 249.398 3.674 30 20 BHED C=CCC[C@H](CCC)NC1(C2CC2)CC1 309200407 RGPAQHOFNZJYLS-ZDUSSCGKSA-N 207.361 3.654 30 20 BHED CC/C=C\CCN[C@H](C)c1ccc(C#N)cc1 338348278 NLWJCHZRQMEPNV-DSYXLKISSA-N 228.339 3.565 30 20 BHED C=CCCC[C@@H](C)N[C@@H]1CCC[C@H]2C[C@H]21 378732508 LMUAEQCVRZVTFQ-XJFOESAGSA-N 207.361 3.509 30 20 BHED C=CCOCCS[C@H](C)c1cccc(F)c1 419395501 UQLVCJGXYWBLHT-LLVKDONJSA-N 240.343 3.823 30 20 BHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N[C@@H]1CC[C@H](C#N)C1 424336452 YBWNRQQJOCSJFR-JKJDWNRSSA-N 248.414 3.729 30 20 BHED C=C[C@H]1CCCCN1Cc1oc(C(C)C)nc1C 428986934 RAPYMFIJWACDLE-ZDUSSCGKSA-N 248.370 3.647 30 20 BHED C=CCC(C)(C)C(=O)N[C@H](C)c1cc(C)oc1C 429813275 IXFRNYKLLHZQGZ-LLVKDONJSA-N 249.354 3.676 30 20 BHED C=C[C@H]1CCCCN1C[C@@H]1C[C@H]1c1ccccc1 463201383 DXMOQVAEXUQWGD-ULQDDVLXSA-N 241.378 3.831 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@H](C)CCCC(C)C 467429716 ZZUGSSRFSFXBGM-HIFRSBDPSA-N 239.403 3.920 30 20 BHED C=CCOCCCN1CCC[C@@H]1CCCCC 470774403 TVFCJPRODLUPTR-HNNXBMFYSA-N 239.403 3.624 30 20 BHED C=C(C)CN(C)Cc1cc2c(C)c(C)ccc2[nH]1 473130024 XMVFVMZKZGNJAA-UHFFFAOYSA-N 242.366 3.793 30 20 BHED N#Cc1cccnc1/C=C\c1sccc1Cl 486052597 JVQVGFDZERHGBV-ARJAWSKDSA-N 246.722 3.839 30 20 BHED C=CCC[C@@H](CC)Nc1cccc2c1OCO2 541137183 MYZHMFNTKUJHGG-LLVKDONJSA-N 233.311 3.572 30 20 BHED CCC1(CC)CCCN([C@H]2CC[C@H](C#N)C2)C1 595753900 ZURHQAXZVWCCMA-KBPBESRZSA-N 234.387 3.581 30 20 BHED C=CC[C@@H]1CCCC[C@H]1NCCCCOCC 657847133 UNOZAUSYZGJHFM-HUUCEWRRSA-N 239.403 3.528 30 20 BHED C=CCC1(C(=O)N2C3CCCC2CCC3)CCC1 683063176 IIRRYZCADYFXBP-UHFFFAOYSA-N 247.382 3.666 30 20 BHED C[C@@H](CC(C)(C)C#N)N[C@H](C)c1cccs1 695789205 VSLRTPXMQZFFHY-WDEREUQCSA-N 236.384 3.727 30 20 BHED C#C[C@H](NC(=O)CC1CCCCCC1)C(C)(C)C 702236496 QAKDFVGPTNUWIB-AWEZNQCLSA-N 249.398 3.511 30 20 BHED CCON=C(C)Cc1ccc(C(F)(F)F)cc1 751131390 UWLFLVNEEVZWOW-UHFFFAOYSA-N 245.244 3.660 30 20 BHED CC1(C)CCC[C@@H](C=NOCC(F)(F)F)C1 752736209 TXIQGYDCBUEKHV-SECBINFHSA-N 237.265 3.768 30 20 BHED CCCCCCCCNC(=O)C1(CC)CC1 754853312 FEMRAYYBYDVGLP-UHFFFAOYSA-N 225.376 3.653 30 20 BHED C[C@H]1C[C@H]1C=NNc1cccc2c1CCCC2 758372700 QXFZFYVZBMCKTM-AAEUAGOBSA-N 228.339 3.619 30 20 BHED CCON=Cc1ccc(-c2ccccc2)cc1 767465281 XYYUCRRAPBHNBI-UHFFFAOYSA-N 225.291 3.724 30 20 BHED O=C(/C=C/c1nccc2ccccc12)c1ccco1 769772378 YPGVREGZPPVGIY-BQYQJAHWSA-N 249.269 3.724 30 20 BHED C#CCN(CC)[C@H](C)CCSc1ccccc1 770171740 KNBJYTHWGLQORY-CQSZACIVSA-N 247.407 3.512 30 20 BHED C#CCCCCN[C@H]1CCCc2ccc(F)cc21 776171425 SKYFAXOCGXSLHY-INIZCTEOSA-N 245.341 3.596 30 20 BHED Cc1cccnc1NN=C1CCC[C@@H]1C(C)C 790193163 WIIHZCAACDGFEF-GFCCVEGCSA-N 231.343 3.614 30 20 BHED C=CCCCCC[C@H](C)N[C@@H]1CCO[C@@H](C)C1 793545658 JSFCIDKHPSDEQA-SOUVJXGZSA-N 239.403 3.669 30 20 BHED CC[C@H]1CCC1=NNCc1cccc(Cl)c1 807977744 YTAOWVRJIRZWHW-NSHDSACASA-N 236.746 3.606 30 20 BHED C1CCC2(C1)CCCC2=NOCCC1CC1 814941380 HZWUEEAPFWGPCT-UHFFFAOYSA-N 221.344 3.903 30 20 BHED C=C[C@H](CC)OC(=O)c1ccsc1Cl 853113715 KIPGRLMLCZDWAR-SSDOTTSWSA-N 230.716 3.523 30 20 BHED Cc1cc(C)c([C@@H](C)NCC2(C#N)CC2)cc1C 903101893 OXKACJJCSCOMSN-CQSZACIVSA-N 242.366 3.566 30 20 BHED C=C[C@@H](Cc1nnc(C(C)C)o1)c1ccccc1 1117186826 JDZMPECCNGRQPY-LBPRGKRZSA-N 242.322 3.705 30 20 BHED CCCCCC[C@H](C)Nc1cccc(CC#N)n1 1320877869 FDBPGOLMDSNCTM-ZDUSSCGKSA-N 245.370 3.918 30 20 BHED C[C@@H](CCC#N)N[C@H](C)c1ccc2c(c1)CCC2 1459864481 YRHBVUMSDBDTAJ-QWHCGFSZSA-N 242.366 3.518 30 20 BHED CC[C@H](Nc1cc(C)c(C#N)cn1)C1CCCC1 1639908385 CXUDOWNOWZPXJY-AWEZNQCLSA-N 243.354 3.642 30 20 BHED N#Cc1ccc(CSc2ccccc2)s1 1652441796 WLUKMOJPCISFIS-UHFFFAOYSA-N 231.345 3.912 30 20 BHED CN(Cc1cccc(C#N)c1)C1CCCCCC1 35175664 VLGMYSGUVYFJNU-UHFFFAOYSA-N 242.366 3.713 30 20 BHED CC1CCC(N(C)c2ccc(C#N)cc2)CC1 42227493 TYWFKSDXXOQHRG-UHFFFAOYSA-N 228.339 3.573 30 20 BHED C=CCCNc1ccc(C(F)(F)F)cc1 70591312 KXGBAELLBYYLLW-UHFFFAOYSA-N 215.218 3.693 30 20 BHED CC(=O)c1ccc(OCCCC(C)(C)C#N)cc1 87598905 YTQIMLBDSWNMLB-UHFFFAOYSA-N 245.322 3.598 30 20 BHED CC[C@H]1CCCCN1CCCC(C)(C)C#N 87608459 HILMSZACMLMWLD-ZDUSSCGKSA-N 222.376 3.581 30 20 BHED C=CCc1cccc(F)c1C(F)(F)F 95631388 RWHBLGIJHKIGIZ-UHFFFAOYSA-N 204.166 3.573 30 20 BHED C#CCCCCN[C@@H]1CCC(C)(C)C[C@H]1C 130734223 WWPDBLLRLZMKOQ-ZIAGYGMSSA-N 221.388 3.594 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc(OCC(C)C)cc1 132680942 GHOZUNIVBOXWTF-ZIAGYGMSSA-N 247.382 3.947 30 20 BHED C=CCCNc1ccc(C(F)(F)F)c(C#N)c1 159092400 OXYNDKMXDBTCIV-UHFFFAOYSA-N 240.228 3.565 30 20 BHED Cc1ccc(/C=C/c2ccc(C#N)cn2)cc1F 171765023 MBHHJJNWZPNIAT-GQCTYLIASA-N 238.265 3.571 30 20 BHED COc1ccc(C(=O)/C=C\c2ccsc2)cc1 206080678 PXPSFJVASPEOLH-UQCOIBPSSA-N 244.315 3.653 30 20 BHED CC[C@H](C)CSc1cccc(C#N)c1 229754484 UUSIILMEKUQXKB-JTQLQIEISA-N 205.326 3.696 30 20 BHED C[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H](C#N)C2)CC1 249037933 TYHMZMOREXWMDR-KBXIAJHMSA-N 234.387 3.627 30 20 BHED O=C(/C=C\c1cccnc1Cl)c1ccsc1 255864114 ARZROOXMCVNUFY-ARJAWSKDSA-N 249.722 3.693 30 20 BHED CC(C)CCN(C)CCCCC(C)(C)C#N 300121750 WQRBJGAYOBRMCG-UHFFFAOYSA-N 224.392 3.684 30 20 BHED N#Cc1cccc(OCc2sccc2Cl)c1 304297476 ICTNODCALIYGTD-UHFFFAOYSA-N 249.722 3.852 30 20 BHED C=CCCC[C@@H](C)Nc1nc(CCC)ns1 309652138 OMEOOZMEAAQZEK-SNVBAGLBSA-N 239.388 3.647 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(F)cc1F 309845460 GFLZWCBJZWUKHX-SNVBAGLBSA-N 225.282 3.582 30 20 BHED CSCCCSCCCC(C)(C)C#N 320614619 QVAURJKMCLMDJK-UHFFFAOYSA-N 231.430 3.803 30 20 BHED C[C@@H](c1ccccc1F)N1CCC(CC#N)CC1 335977035 GUULQVVACIFSCU-LBPRGKRZSA-N 246.329 3.512 30 20 BHED C=CC[C@H](C)NCc1cscc1C(F)(F)F 336736729 IZFXLLNLZIFTKV-QMMMGPOBSA-N 249.301 3.821 30 20 BHED CCCN(CC[C@H](C)F)Cc1ccc(C#N)cc1 351842937 BCUBYYMVSJMTRX-ZDUSSCGKSA-N 248.345 3.518 30 20 BHED CC[C@H]1CCC[C@H]1NCCCCC(C)(C)C#N 388903511 NTLQVSAXCWAWAD-UONOGXRCSA-N 236.403 3.875 30 20 BHED C=CCC[C@@H](NC[C@H](C)C(F)(F)F)C1CC1 393802827 UJLOUCCHIATSJJ-GXSJLCMTSA-N 235.293 3.519 30 20 BHED C=CCCCCCCNC(=O)NC(C)(C)CC 396005471 AEKHZYZMEMPULQ-UHFFFAOYSA-N 240.391 3.611 30 20 BHED N#CC[C@@H]1CCCN([C@H]2C=CCCCCC2)C1 397810228 ODLXVESYBHAXGP-GJZGRUSLSA-N 232.371 3.501 30 20 BHED C=C(C)C(C)(C)C(=O)N1CCC[C@@](C)(CC)C1 424702057 ULYIVMJOWGKCHT-OAHLLOKOSA-N 237.387 3.627 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H](CC)C1CCCC1 425607893 OCIPMRJNBUGWTN-ZDUSSCGKSA-N 237.387 3.674 30 20 BHED CC(C)Oc1ccccc1N[C@H]1CC[C@@H](C#N)C1 442866531 LYKOUNVIWVJHDH-OLZOCXBDSA-N 244.338 3.578 30 20 BHED C=CCCCC(=O)N([C@@H](C)CC)[C@@H](C)CC 467204049 CPUPYGKKVOSALK-STQMWFEESA-N 225.376 3.768 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCCC1(C)C 476265771 XBMZEMRIIRQPTQ-STQMWFEESA-N 237.387 3.674 30 20 BHED C=CCC1(C(=O)N[C@H]2CCC[C@H](C)CC2)CCC1 480511441 UCQRRXKGPALHNZ-KBPBESRZSA-N 249.398 3.818 30 20 BHED C=CCCCC(=O)N(C1CC1)[C@@H](C)[C@H](C)CC 480897763 LNXXNDBLORWYDA-OLZOCXBDSA-N 237.387 3.768 30 20 BHED C=C(C)CCN[C@H](C)c1cc(F)c(F)c(F)c1 508990166 DIKQXOPPUZSKTL-SECBINFHSA-N 243.272 3.721 30 20 BHED C=CCN(CCc1ccccc1)[C@H]1C=CCCC1 524175792 WCEFYTIKFSPQPO-KRWDZBQOSA-N 241.378 3.826 30 20 BHED CCC[C@H](CC)N[C@@H](C)c1ccc(C#N)c(F)c1 538506850 FUPIUIWNXYMOBN-FZMZJTMJSA-N 248.345 3.927 30 20 BHED C=CC[C@@H](C)N[C@H](Cc1ccc(C)cc1)C1CC1 539072396 YFXSFJHZNOOPPZ-RHSMWYFYSA-N 243.394 3.870 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCO[C@@H](CC(C)C)C1 541772164 UPVQJKGRLSOMQW-ZNMIVQPWSA-N 239.403 3.524 30 20 BHED C=CCC1(NCCC(C)(C)C#N)CCCCC1 599609142 GVOCPYCFCKQPIS-UHFFFAOYSA-N 234.387 3.795 30 20 BHED C=CCCC(C)(C)NC(=O)C[C@H]1CC[C@@H](C)C1 620858626 LSSOXLHBIBYBAU-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C 650391112 BWLRCXLYNVBQHD-UONOGXRCSA-N 249.398 3.696 30 20 BHED C=C(CNC(=O)[C@@H](C)CCCC)c1ccccc1 672478442 PQPTYULZRPGWJP-ZDUSSCGKSA-N 245.366 3.642 30 20 BHED CC(C)CC[C@H](C)N[C@@H](C)CC(C)(C)C#N 695817917 WQGJQJLDTIRZHD-STQMWFEESA-N 224.392 3.729 30 20 BHED CC(C)(C)C=NNc1ccc(Cl)cc1 755461566 GPYOCEMNESTEAS-UHFFFAOYSA-N 210.708 3.784 30 20 BHED N#Cc1ccccc1-c1cccc2cc[nH]c12 793366624 DDPVZBWPBSTCSP-UHFFFAOYSA-N 218.259 3.707 30 20 BHED C=CCCCCC[C@@H](C)NC[C@@]1(C)CCCO1 793537510 ZSQBRDGRSJRWQQ-HUUCEWRRSA-N 239.403 3.670 30 20 BHED CCCC[C@H](C)C(=O)Oc1ccc(C#N)c(C)c1 799998865 NKSISCPJZONTEP-NSHDSACASA-N 245.322 3.598 30 20 BHED CC[C@H]1CC[C@H](C)CC1=NOC1CCC1 812235337 SLWZYGQFKHWMGD-QWRGUYRKSA-N 209.333 3.758 30 20 BHED CSCCON=C(C)c1cccc(C2CC2)c1 814921873 HLCMKWFCQHMBNI-UHFFFAOYSA-N 249.379 3.668 30 20 BHED CCCCCCCC(=O)NCc1ccccc1C 823436569 ARRIMWRQXDSKSI-UHFFFAOYSA-N 247.382 3.972 30 20 BHED CCC1(C(=O)O[C@H]2CCC[C@H](C#N)C2)CCCC1 839053142 IKCXVETZAVZPRR-STQMWFEESA-N 249.354 3.582 30 20 BHED CSc1ccc(C=NN2CCCC[C@@H]2C)cc1 853378570 HIXLGUSXSSDAKD-LBPRGKRZSA-N 248.395 3.617 30 20 BHED C=CCC[C@@H](CC)NCc1cc(C)ccc1O 862475991 DPKJBGGMOZFTEV-CQSZACIVSA-N 233.355 3.535 30 20 BHED Fc1ccc(NN=C[C@@H]2C[C@H]3C=C[C@H]2C3)c(F)c1 864351464 RUYOBCCQADXXJG-DCAQKATOSA-N 248.276 3.575 30 20 BHED C=CCCCCNCc1c(C)nn(C(C)C)c1C 893656223 RWCBRQBNLGYJCI-UHFFFAOYSA-N 249.402 3.527 30 20 BHED Fc1ccc(NN=Cc2ccccc2Cl)cc1 916267999 CRLKLDSUJDSXTI-UHFFFAOYSA-N 248.688 3.925 30 20 BHED C=CCC1(c2nnc(CC(C)C)o2)CCCC1 1118367072 BLEUUNABBLLINT-UHFFFAOYSA-N 234.343 3.656 30 20 BHED C=C(Cl)CN[C@@](C)(CC)c1ccccc1 1653963760 CYKQVLQEBGOGEK-ZDUSSCGKSA-N 223.747 3.654 30 20 BHED CCCCCOc1ccc(C#N)cc1OCC 11961990 OTHCPAFOAOBRAE-UHFFFAOYSA-N 233.311 3.526 30 20 BHED CC1CCC(Nc2ccc(OCC#N)cc2)CC1 20126399 QJWNNWJHXLHMFA-UHFFFAOYSA-N 244.338 3.580 30 20 BHED CC[C@@H](C)[C@@H](C)Nc1cccc(F)c1C#N 36138439 MMUPHIUDQDMMMR-NXEZZACHSA-N 220.291 3.544 30 20 BHED C=CCNc1cc(Cl)cc(Cl)c1 41571221 JGPXWWYJGAVTDS-UHFFFAOYSA-N 202.084 3.591 30 20 BHED CC[C@@H](C)CN(C)c1ccc(Cl)cc1C#N 52859582 FJHPERBSSLDSND-SNVBAGLBSA-N 236.746 3.694 30 20 BHED C=CCCC(=O)Nc1c(CC)cccc1CC 102215173 PNNWKCLMYZFXBU-UHFFFAOYSA-N 231.339 3.716 30 20 BHED C=CCCC(=O)Nc1ccccc1OC(C)(C)C 115298889 YYDQIXKTDSFRIC-UHFFFAOYSA-N 247.338 3.769 30 20 BHED N#C[C@H](SCc1ccco1)C1CCCCC1 128553740 YRCLKYIZCFALHJ-ZDUSSCGKSA-N 235.352 3.985 30 20 BHED C[C@H](CCC#N)SCC1CCCCC1 189472011 PQUKJQJYEUGYFZ-LLVKDONJSA-N 211.374 3.992 30 20 BHED C=CCC1(C(=O)N(C)C2CCC(C)CC2)CCC1 191866483 PVRSEOFEWKJXRN-UHFFFAOYSA-N 249.398 3.770 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1csc(C)c1 294095312 BLMUSMZXXQBNIC-ONGXEEELSA-N 209.358 3.672 30 20 BHED C=CCNc1ccc(SC(F)(F)F)cc1 308858505 VMCNYHIBMJWCBH-UHFFFAOYSA-N 233.258 3.896 30 20 BHED C=CCCSCc1cc(C#N)ccc1F 339092245 WEKWMQMMIGPVQY-UHFFFAOYSA-N 221.300 3.507 30 20 BHED C=C1CCN([C@@H](C)c2ccc(F)cc2)CC1 341992358 IJWKBFZFZQNRBD-LBPRGKRZSA-N 219.303 3.539 30 20 BHED N#CCc1ccc(CNc2ccc(F)cc2)cc1 342446446 XFFVKTZUILSRKF-UHFFFAOYSA-N 240.281 3.504 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@H]1CCCC(C)(C)C1 410120717 HOGLSEBYYCVEMQ-QWHCGFSZSA-N 237.387 3.674 30 20 BHED CC[C@@H](NCc1ccc(C#N)s1)[C@H]1CC1(C)C 418108190 QSWFDRREILITEQ-CHWSQXEVSA-N 248.395 3.534 30 20 BHED C=C(CC)CN1CCC[C@@H](CC(F)(F)F)C1 420950044 PKRIIZPEWXDRJS-NSHDSACASA-N 235.293 3.617 30 20 BHED CC1=CCC[C@@H](C)[C@H]1CN(CC#N)C1CCCC1 443662763 VTEPVOWBTHJRSK-ZBFHGGJFSA-N 246.398 3.747 30 20 BHED C=C(C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 448550896 MMMQLZNMFOBSIK-QLFBSQMISA-N 249.398 3.675 30 20 BHED C=CC(C)(C)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 448616121 ZTDIZEGLXGMPSQ-MGPQQGTHSA-N 249.398 3.674 30 20 BHED C=CCC1(C(=O)NCC(=C)CC)CCCCC1 456838045 JEEWLFAIMJWPTH-UHFFFAOYSA-N 235.371 3.595 30 20 BHED CCN(Cc1ccc(C2CC2)cc1)C[C@H](C)C#N 459333651 ZNJUYONIUUPUAK-CYBMUJFWSA-N 242.366 3.546 30 20 BHED CC#CCSc1ncc(C(C)C)n1C(C)C 463197969 KVXVFHNISSURHN-UHFFFAOYSA-N 236.384 3.703 30 20 BHED C=CC[C@H](CC)NCc1cc2ccc(F)cc2[nH]1 466385713 JADBCSDDEKKQEF-ZDUSSCGKSA-N 246.329 3.751 30 20 BHED C=CCCCC(=O)N(C)[C@@H](C)C1CCCCC1 470407862 MFUTZHIRDXRLCZ-ZDUSSCGKSA-N 237.387 3.770 30 20 BHED C=CCOCCCN(C)[C@H](C)c1ccc(C)cc1 470720503 VQWDCILJHCLMKG-OAHLLOKOSA-N 247.382 3.581 30 20 BHED CC(C)(C#N)CCN1CCc2cc(Cl)ccc21 511872539 MMJYBUDEUBZZPA-UHFFFAOYSA-N 248.757 3.642 30 20 BHED C=CC[C@H](C)NC/C=C\c1ccc(F)c(F)c1 512037390 GSTZRQMKKCPXJX-QZPNVGJNSA-N 237.293 3.532 30 20 BHED CCC(CC)(CC)[S@@](=O)CCC(C)(C)C#N 520317328 STXWFBGEOUXPOL-INIZCTEOSA-N 243.416 3.644 30 20 BHED C=CCCSCCCCC1CCOCC1 542810580 SQTWOHYSKINIHU-UHFFFAOYSA-N 228.401 3.893 30 20 BHED C=CCCCN1CCC(CC(F)(F)F)CC1 579368207 DRWTXRVRLGTCAU-UHFFFAOYSA-N 235.293 3.617 30 20 BHED CC(C)C(CN1CCC[C@@](C)(C#N)C1)C(C)C 585767310 JYIRJBCDILLHOU-HNNXBMFYSA-N 236.403 3.540 30 20 BHED C=CCC1(NC(=O)C2CCCCC2)CCCC1 619105747 IINRXTCYADAPIV-UHFFFAOYSA-N 235.371 3.572 30 20 BHED C=C(CC)CN[C@H](C)c1ccc(C(F)F)nc1 658032530 UFDXAOMZTMQOEH-SNVBAGLBSA-N 240.297 3.636 30 20 BHED C=CC[C@@H](C)NC(=O)CCCC[C@@H](C)CC 680202359 VISGVACXWBKNOJ-QWHCGFSZSA-N 225.376 3.674 30 20 BHED CC(C)(C#N)CCCN(Cc1ccoc1)C1CC1 723739706 QGDYPINWYVQUSK-UHFFFAOYSA-N 246.354 3.574 30 20 BHED CC(C)CON=Cc1c(O)ccc2ccccc12 749636766 QGZWSQVVLKYOIV-UHFFFAOYSA-N 243.306 3.552 30 20 BHED CC(/C=C\C(=O)c1cccnc1)=C/c1ccccc1 750901656 VFNCZTOYJRWOMK-HALDLEKHSA-N 249.313 3.924 30 20 BHED CC(=NOCC(F)(F)F)[C@@H](C)c1ccccc1 764845369 VYFMSJOJDXOGQY-SECBINFHSA-N 245.244 3.745 30 20 BHED CC[C@H](C)NN=C(C)CCc1cccc(C)c1 790188076 DIQAAKVOQBXJPZ-ZDUSSCGKSA-N 232.371 3.692 30 20 BHED C=CCCCCOC(=O)c1ccc(C)s1 811010411 RXXYZDCRUMSWQO-UHFFFAOYSA-N 224.325 3.570 30 20 BHED CC(C)CC(=NOCC1CC1)c1cccs1 814241655 UHSUYNURBXOKRP-UHFFFAOYSA-N 237.368 3.925 30 20 BHED C=C(C)CCNC(=S)Nc1ccccc1CC 840791346 FHPDTVGWNBZLNC-UHFFFAOYSA-N 248.395 3.502 30 20 BHED C=C[C@H](C)ON=CC[C@@H](C)c1ccccc1 844621515 IJTBOKMNGJQRHJ-OLZOCXBDSA-N 217.312 3.757 30 20 BHED C=CCC[C@H](N[C@@H]1C=CCC1)c1ccco1 850510863 WVONHETZATWMGZ-OLZOCXBDSA-N 217.312 3.595 30 20 BHED C[C@@H]1CCCCN1N=C[C@@H]1C[C@@H]1c1ccccc1 853379078 FTFZKWVPRGFUHA-VNQPRFMTSA-N 242.366 3.650 30 20 BHED C[C@@H]1CCCCN1N=C1CCC(C(F)F)CC1 853381945 PCWXFWUCCWAPBR-NFJWQWPMSA-N 244.329 3.672 30 20 BHED CC1CCC(=NNc2ccnc(Cl)c2)CC1 853393857 DDELVVHAPBFVMC-UHFFFAOYSA-N 237.734 3.713 30 20 BHED CCCCCCC[S@@](=O)Cc1ccsc1 899432978 KKTYKUHIOPHSNQ-OAHLLOKOSA-N 244.425 3.967 30 20 BHED N#CC1CCC(CNC2CC3(CCCC3)C2)CC1 926355252 FAAYJPVBMCVFJV-UHFFFAOYSA-N 246.398 3.629 30 20 BHED CC(C)c1ccc(N[C@H](C)CC(C)(C)C#N)cn1 926895135 DRGOTOMHQPLYHZ-GFCCVEGCSA-N 245.370 3.945 30 20 BHED CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1 1254637632 SJFNTXFMHPPIAK-DFBGVHRSSA-N 246.329 3.559 30 20 BHED C=C(Cl)CNCc1c(Cl)cccc1CC 1461229760 BMKDSNCIAKUTRT-UHFFFAOYSA-N 244.165 3.745 30 20 BHED Cc1ccccc1N[C@H](C#N)C1CCCCC1 37937935 YPBFKRJCFTVUAG-OAHLLOKOSA-N 228.339 3.879 30 20 BHED C=C(C)CNc1cc(C)c(Cl)cc1OC 41571758 MTRMQKMVEWPGQJ-UHFFFAOYSA-N 225.719 3.645 30 20 BHED C=C(C)CN1CCC[C@@H]1c1ccc(F)cc1 55506465 SDFWAWFHJJYPER-CQSZACIVSA-N 219.303 3.539 30 20 BHED C=CCC[C@@H](C)N[C@H](C)CCc1ccco1 126723856 VCFJDASXQBTGJV-CHWSQXEVSA-N 221.344 3.545 30 20 BHED C[C@H](NCCCC#N)c1ccc(C(C)(C)C)cc1 154408554 MOCBAZIWCVEHHI-ZDUSSCGKSA-N 244.382 3.938 30 20 BHED C#CCN(CC1CC1)C(=O)CCCCCCCC 156783150 HJRRUPVQNCMDIN-UHFFFAOYSA-N 249.398 3.609 30 20 BHED C=CC[C@@H](C)N[C@@H]1CCc2cc(Cl)ccc21 161649747 PWABDGOOLCNGDI-QMTHXVAHSA-N 235.758 3.882 30 20 BHED C=CCCN[C@@H](C)c1cccc(OC(F)F)c1 163908675 KJXJGWYMSJFEPI-JTQLQIEISA-N 241.281 3.515 30 20 BHED CCCC[C@@H]1CCC[C@H]1NCCCCC#N 167259455 KPEIXNUDPHIGBG-ZIAGYGMSSA-N 222.376 3.629 30 20 BHED C=CCCN[C@H](c1ccc(OC)cc1)C(C)C 182051321 BEVHSOXYXOTGMW-HNNXBMFYSA-N 233.355 3.558 30 20 BHED CC[C@H]1Cc2ccccc2CN1CCCCC#N 185797044 QKWCTKZUMLKXST-INIZCTEOSA-N 242.366 3.517 30 20 BHED C=CCC1(C(=O)N(C)c2ccccc2F)CCC1 191890521 YRELBFIDCFVFOI-UHFFFAOYSA-N 247.313 3.535 30 20 BHED C=C(C)CSCc1cc(C)ccc1OC 219733448 HFRAHHITKXHCSV-UHFFFAOYSA-N 222.353 3.813 30 20 BHED C=CCCCC(=O)N1CCC[C@H]1c1ccsc1 267168961 LTTBOHQPXGDCFY-ZDUSSCGKSA-N 249.379 3.768 30 20 BHED C=CCCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1 286372422 FFCUHOSNPPMXRB-UKRRQHHQSA-N 243.350 3.562 30 20 BHED C=CCCCCNc1cccc(C(F)(F)F)n1 302295703 XQOJKBPPEGUJPI-UHFFFAOYSA-N 244.260 3.869 30 20 BHED C=CCNc1cccc(-c2ccccc2)c1 309829012 JCWGJIXZTYSHBW-UHFFFAOYSA-N 209.292 3.952 30 20 BHED C=C(CC)CNc1cccc2c1ccn2C 381757833 SRYUQAGCVMWWFR-UHFFFAOYSA-N 214.312 3.556 30 20 BHED C=CC[C@@H](CC)N[C@H]1CCc2c(F)cccc21 393771379 HINPXPGJTLGZOO-ABAIWWIYSA-N 233.330 3.757 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccncc1Cl 421855342 MIHUCQJMUKAQLT-SNVBAGLBSA-N 238.762 3.598 30 20 BHED C=CCN(CCC#N)[C@@H](C)c1ccc(Cl)cc1 428885198 ZZSFOBOCGJZDDR-LBPRGKRZSA-N 248.757 3.803 30 20 BHED C=C[C@H](C)N[C@@H]1CC[C@](C)(c2ccccc2)C1 438201936 RCARZONAKPRUIT-IMJJTQAJSA-N 229.367 3.661 30 20 BHED C=C(C)CN(C)[C@H](C)c1ccc2c(c1)CCC2 445460761 CWDLPTUJLNQVEJ-CYBMUJFWSA-N 229.367 3.744 30 20 BHED C=C1CCN(c2nc3cc(C)cc(C)c3o2)CC1 450324269 NSIAWASQZSLTQI-UHFFFAOYSA-N 242.322 3.601 30 20 BHED N#CC1(CN(CC2CC2)C2CCCCC2)CCC1 450353605 ZRORCEYBTCCMAK-UHFFFAOYSA-N 246.398 3.725 30 20 BHED C=C[C@H](C)NC(=O)Nc1ccccc1C(C)(C)C 465165837 GDSADMHGZUPBLT-NSHDSACASA-N 246.354 3.680 30 20 BHED C=CC[C@H](CC)N[C@@H](C)Cc1ccccc1C 466389445 QWCSLJRPCSWZTN-HOCLYGCPSA-N 231.383 3.870 30 20 BHED C=CC1CCN(C(=O)[C@@H]2CCCC[C@H]2CC)CC1 475927631 TZBCNUBLSVWFTC-HUUCEWRRSA-N 249.398 3.627 30 20 BHED C=CCOCCCOc1cc(C)ccc1Cl 475940692 MSFDZBUGGXMQLT-UHFFFAOYSA-N 240.730 3.620 30 20 BHED C=CCCC(=O)N1CCC[C@@H]1CCC1CCCC1 488324817 DERMXMRILCDHGB-OAHLLOKOSA-N 249.398 3.914 30 20 BHED C=C(C)CN(CC(=C)C)Cc1ccccc1 507408661 VMZZHUPDPRHCMP-UHFFFAOYSA-N 215.340 3.641 30 20 BHED C=C(C)CCc1noc(-c2sccc2C)n1 508664271 SDWRKCFGILFPIX-UHFFFAOYSA-N 234.324 3.615 30 20 BHED C=C(CC)CN(C)[C@H](C)c1ccc(OC)cc1 536882835 XJZJRHCGFXWOOK-CYBMUJFWSA-N 233.355 3.654 30 20 BHED Cc1cc(SCCOC(C)(C)C)ccc1C#N 567898356 NFGABLVBMLNLGU-UHFFFAOYSA-N 249.379 3.774 30 20 BHED C[C@H](CCC#N)CN[C@H]1CCCc2sccc21 602611378 NDRSYUAXEDMHHA-YPMHNXCESA-N 248.395 3.655 30 20 BHED C[C@@H](c1ccc(F)cc1)N(C)CC1(CC#N)CC1 602756974 BXQHOIDVMALEOK-LBPRGKRZSA-N 246.329 3.512 30 20 BHED CC[C@@H](N[C@@H](C)C1CCC1)c1ccc(C#N)cc1 618572338 WZHNIAHUJAWWHV-BLLLJJGKSA-N 242.366 3.788 30 20 BHED CCc1ccc(C=NNc2ccccc2F)s1 731151217 JNLZBMCUNLWLTR-UHFFFAOYSA-N 248.326 3.896 30 20 BHED CCON=C1CCSc2c(Cl)cccc21 731926353 YMMILZBPQHCXSG-UHFFFAOYSA-N 241.743 3.576 30 20 BHED COc1ccc(CCC(C)=NOCC(C)C)cc1 754281792 VKVIVRGBBOQDJS-UHFFFAOYSA-N 249.354 3.676 30 20 BHED C=C(Cl)CSCCN(C(C)C)C(C)C 762204234 SJKUNXMRKXERQC-UHFFFAOYSA-N 235.824 3.591 30 20 BHED CCCCCCC[S@](=O)C(CC)CC 764557770 AFTADCHYXNVYJE-AWEZNQCLSA-N 218.406 3.894 30 20 BHED C#CCCCCN[C@@H](C)c1cccc(C)c1C 773036715 MLOCRLAGVTXGLV-HNNXBMFYSA-N 229.367 3.758 30 20 BHED C#CCCCCCC(=O)N(CCC)C(C)(C)C 779977334 MEIHDTXXMONTFW-UHFFFAOYSA-N 237.387 3.607 30 20 BHED C(=NNC1CCCCC1)c1coc2ccccc12 786043065 GNBWOETZPCBUNW-UHFFFAOYSA-N 242.322 3.689 30 20 BHED C=CCCCCC[C@@H](C)NC[C@]1(C)CCCO1 793537507 ZSQBRDGRSJRWQQ-CABCVRRESA-N 239.403 3.670 30 20 BHED C=C(Cl)CSC[C@H](OC)c1ccccc1 802752917 WMBNOZBDTWUKMZ-LBPRGKRZSA-N 242.771 3.860 30 20 BHED CC(=NOC1CCC1)C1CCC(F)(F)CC1 812236931 AKTMNQWLHAAOCR-UHFFFAOYSA-N 231.286 3.757 30 20 BHED C=CCC[C@H](C)NCc1c(F)cc(F)cc1F 815650313 OFFUGTPXHJRPLQ-VIFPVBQESA-N 243.272 3.548 30 20 BHED C=CCCN(C)Cc1ccc2ccccc2c1O 816588417 NUNDBUKGFFWNFX-UHFFFAOYSA-N 241.334 3.553 30 20 BHED C=C[C@@H](C)ON=C1CCC(C(F)(F)F)CC1 844622124 UYAODSOMRKKXQF-VEDVMXKPSA-N 235.249 3.686 30 20 BHED CC(C)CNN=C1CCC(=C2CCC2)CC1 853327093 ADYKLUIEPNLQFT-UHFFFAOYSA-N 220.360 3.643 30 20 BHED C[C@H]1CCCCN1N=C[C@H](C)c1ccccc1 853378510 FNWXEUMPPXXFCJ-KBPBESRZSA-N 230.355 3.650 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C(C)=C2CCCC2)C1 855438320 FPCRQXHAVVRFTB-CQSZACIVSA-N 247.382 3.692 30 20 BHED Fc1ccc(NN=CC2CCCCC2)c(F)c1 916248238 ULJPJWYBWFXBGO-UHFFFAOYSA-N 238.281 3.943 30 20 BHED Cc1ccc(C)c(NN=Cc2csc(C)n2)c1 916346171 XDRPJGCBULHNNZ-UHFFFAOYSA-N 245.351 3.514 30 20 BHED C=C(Cl)CN(C)c1cc(Cl)ccc1C 1307804650 PCWZWLYLNROZOS-UHFFFAOYSA-N 230.138 3.837 30 20 BHED CCC[C@]1(C)CCCN(C[C@@H](C)CCC#N)C1 1663893217 MASOZQPYGRZGKX-LSDHHAIUSA-N 236.403 3.828 30 20 BHED Cc1ccccc1CN(C)CCCC(C)(C)C#N 87608521 MRXOEFGWZADBBZ-UHFFFAOYSA-N 244.382 3.757 30 20 BHED N#CCCCN[C@H](c1ccccc1)C1CCCC1 109800985 YBEGDMWZWPUIQZ-MRXNPFEDSA-N 242.366 3.811 30 20 BHED C=CCCCCCN(C)C(=O)c1ccc(C)cc1 156836236 CSVUYWGGSFUENH-UHFFFAOYSA-N 245.366 3.813 30 20 BHED C=C(C)COCCN[C@@H](CCC)c1ccccc1 163507773 VWXCPVUYIOZXOV-INIZCTEOSA-N 247.382 3.710 30 20 BHED C#CCC(C)(C)C(=O)Nc1cccc(C)c1Cl 185742853 OXWCNACVLLVNGF-UHFFFAOYSA-N 249.741 3.636 30 20 BHED C=C(C)COc1ccc(Cl)cc1Cl 196396615 SUDTYVPVSDPQQL-UHFFFAOYSA-N 217.095 3.948 30 20 BHED Cc1ccc(/C=C\C(=O)c2ccc(O)cc2)s1 212533224 NOZMKNVPBABJQK-HJWRWDBZSA-N 244.315 3.658 30 20 BHED C=C(C)CNc1cccc(Br)c1C 227872542 WTYHWPNPHXRTKX-UHFFFAOYSA-N 240.144 3.746 30 20 BHED C[C@@H]1CC(C)(C)C[C@@H]1Nc1ccc(CC#N)cc1 235239909 SCVOUHNJQYFTBF-DOMZBBRYSA-N 242.366 3.989 30 20 BHED C[C@H]1CC[C@H](c2ccccc2)N(CCCC#N)C1 285713449 WOXGSPIAYZBYKB-GOEBONIOSA-N 242.366 3.763 30 20 BHED C=CCSCc1ccc(Cl)s1 307673532 BQJNUEFBEJTRNC-UHFFFAOYSA-N 204.747 3.821 30 20 BHED C=CCCC[C@@H](C)N[C@H]1CCC12CCC2 308897178 ZUUGEGSRSDXJDO-OLZOCXBDSA-N 207.361 3.654 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cscc1C 335099162 NTDSUUDYWWILQY-UHFFFAOYSA-N 223.341 3.597 30 20 BHED C=CCCSCCCC1CCOCC1 339090641 HZGPPLLVMJDQFK-UHFFFAOYSA-N 214.374 3.503 30 20 BHED CC(C)(CCC#N)CNC[C@H]1CCCC1(C)C 339574786 JCPKZHSTBJMRRI-CYBMUJFWSA-N 236.403 3.732 30 20 BHED C=CCCN(C)C1CCC(C(F)(F)F)CC1 344155183 KDOZYWLTYVZXLK-UHFFFAOYSA-N 235.293 3.615 30 20 BHED C=CCC(C)(C)CN[C@H](C)C1CCSCC1 382180029 ZEPSKWOZGATOLW-GFCCVEGCSA-N 241.444 3.710 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1cc(F)cc(F)c1 393743109 GZBGMSHBXWGLJT-QMTHXVAHSA-N 239.309 3.970 30 20 BHED C=CC[C@@H](CC)NC(=O)CCCC1CCCC1 410138151 CWFOTLFGPCNYTH-CQSZACIVSA-N 237.387 3.818 30 20 BHED N#CC1(CNCCC2CCCCCC2)CCC1 418138598 GNINLQYLZQEZGI-UHFFFAOYSA-N 234.387 3.630 30 20 BHED C=CCCCC[C@H](C)NCC1(C)CCOCC1 449177166 UZVSADFUHVHBBC-AWEZNQCLSA-N 239.403 3.528 30 20 BHED C=C(C)CN1CC[C@@H](Cc2ccccc2)[C@H]1C 472328904 QQXSBNABVDOFNZ-ZBFHGGJFSA-N 229.367 3.516 30 20 BHED C=CCCC1(C(=O)N(CCC)CC(C)C)CC1 474795570 XFIWTGPAFGQSLI-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CCCCC(=O)N(C1CC1)[C@@H](C)[C@@H](C)CC 480897765 LNXXNDBLORWYDA-STQMWFEESA-N 237.387 3.768 30 20 BHED C=CCC(C)(C)CNC(=O)CC[C@H](C)CC 490002969 HDLCKNGIAFUKFS-GFCCVEGCSA-N 225.376 3.531 30 20 BHED C=CCCOc1ccc(OCC(F)(F)F)cc1 549514580 RWNRCYPIXCBTJU-UHFFFAOYSA-N 246.228 3.583 30 20 BHED C=C(C)CCc1noc([C@H](F)c2ccccc2)n1 580482419 UBIJAKVEONBDOG-CYBMUJFWSA-N 246.285 3.637 30 20 BHED CC1(C#N)CCC(N[C@H]2CC23CCCCC3)CC1 598983094 ALJAQXLPFMSUKJ-SLTAFYQDSA-N 246.398 3.771 30 20 BHED CCCc1ccccc1OCC1(CC#N)CC1 600677144 AXPBKRZVOFHYFY-UHFFFAOYSA-N 229.323 3.712 30 20 BHED C[C@H](S[C@H](C#N)C1CC1)c1ccc(F)cc1 601077273 ZBTYYMWYRRXQHF-TVQRCGJNSA-N 235.327 3.922 30 20 BHED C[C@@H](CCC#N)CN1CC[C@@H]1c1cccc(F)c1 602485013 MBZKOXVJIKXLDX-SWLSCSKDSA-N 246.329 3.512 30 20 BHED Cc1ccc([C@H](C)N(C)CC2(CC#N)CC2)cc1 602764247 VNHVMOOJKCZOJI-AWEZNQCLSA-N 242.366 3.682 30 20 BHED Cc1cscc1N[C@H](C#N)Cc1ccccc1 610968004 RWMCEIRLYYCZRV-ZDUSSCGKSA-N 242.347 3.603 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@H]2C)C1 617777047 HEPHVKHEHUUVDW-KFWWJZLASA-N 249.398 3.627 30 20 BHED C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCC2(C)C)C1 617780119 OLYGVHFKRORAMZ-ZIAGYGMSSA-N 249.398 3.627 30 20 BHED C=CCC1(C(=O)N[C@@H](C)C2CCC2)CCCCC1 649238229 BEMKHFXLWDLMIS-ZDUSSCGKSA-N 249.398 3.818 30 20 BHED C=CCC1(NCCCOC(C)(C)C)CCCC1 661861598 CXEUAFDXRNACKU-UHFFFAOYSA-N 239.403 3.670 30 20 BHED C=C(Cl)CNC(=O)C[C@@H](C)CCC=C(C)C 700625832 HWJSFNJIWKQUKR-NSHDSACASA-N 243.778 3.628 30 20 BHED CCCC[C@H]1CCCC1=NNC1CCCC1 727651509 CASRTGRYXFZOAA-LBPRGKRZSA-N 222.376 3.865 30 20 BHED CCCCCCCC(=O)N[C@@H](C)CCSC 736057422 UROVUAODTXAXLY-LBPRGKRZSA-N 245.432 3.605 30 20 BHED C#CCCCNc1cc(C(C)C)nc(C(C)C)n1 761228056 FSLUCQOPOIBYMD-UHFFFAOYSA-N 245.370 3.549 30 20 BHED CCON=C(C)c1ccc2cc(OC)ccc2c1 767464449 PFZUUQHDMLBJRL-UHFFFAOYSA-N 243.306 3.609 30 20 BHED CC(C)C=NNc1c(F)cccc1Cl 769829276 OMMMFBFFSYRIDN-UHFFFAOYSA-N 214.671 3.533 30 20 BHED CCC(CC)[C@@H](C)C(=O)OCCC(C)(C)C#N 776396636 MHYPBJBSNFJPEU-LLVKDONJSA-N 239.359 3.542 30 20 BHED c1cc2c(s1)CCCC2=NOCCC1CC1 783555504 WJRYKYWMXNEFQG-UHFFFAOYSA-N 235.352 3.605 30 20 BHED CC(C)Oc1ccc(NCCC2CC2)cc1C#N 783566807 LEBGFFHHQSBQTF-UHFFFAOYSA-N 244.338 3.557 30 20 BHED C[C@H]1CCCC[C@H]1C=NNc1ccc(C#N)cc1 783827991 RXOJOMONFZOGRJ-JSGCOSHPSA-N 241.338 3.782 30 20 BHED C1CCC(NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)CC1 786042243 NMQMRPWPJDVUEK-RZFFKMDDSA-N 246.398 3.721 30 20 BHED CCCCCCC(C)=NNc1ncccc1F 794993759 QKRFOKSGEJVYJK-UHFFFAOYSA-N 237.322 3.979 30 20 BHED C=CCCCCCCCNC(=O)c1cc[nH]c1C 811590186 RYGUDRKWEWODBW-UHFFFAOYSA-N 248.370 3.580 30 20 BHED CCC[C@H](C)C(CC)=NNC[C@H]1CCSC1 811657015 BPUWKSWAQYLOPX-NWDGAFQWSA-N 242.432 3.531 30 20 BHED CC(Cc1ccccc1F)=NOC/C=C/Cl 811668228 LXGJCGONJFLUQG-ZPEYGQBVSA-N 241.693 3.513 30 20 BHED c1cc2c3c(c1)C(=NOC1CCC1)C[C@@H]3CCC2 812236977 CSXFLFLULQJJAT-LBPRGKRZSA-N 241.334 3.783 30 20 BHED C[C@@H](NN=C1CCC(C)(C)CC1)c1ccncc1 819814764 FFVXAFSCAHYMJI-GFCCVEGCSA-N 245.370 3.688 30 20 BHED COc1cccc(NN=C2CCCC23CCC3)c1 834933482 MGYFEJHSQHFVET-UHFFFAOYSA-N 244.338 3.817 30 20 BHED C[C@H](C#N)Nc1cccc(SC(F)(F)F)c1 864357328 TZGDQMVAWCQWJF-SSDOTTSWSA-N 246.257 3.622 30 20 BHED CCCNN=C(C)c1cc(Cl)ccc1Cl 915965088 DSTVLORXYCAQMC-UHFFFAOYSA-N 245.153 3.717 30 20 BHED CC[C@@H]1CCC[C@H]1CNc1snc(C)c1C#N 1458385936 VAPQEJLTXPPJPY-MNOVXSKESA-N 249.383 3.561 30 20 BHED CC(C)C1CCC(CN2CCC[C@H](C#N)C2)CC1 1659991869 BPRCBZWCIHQDLT-HWOWSKLDSA-N 248.414 3.684 30 20 BHED CCCCN(CCCC)Cc1ccc(C#N)cc1 20360947 RABVYUNMZITRTM-UHFFFAOYSA-N 244.382 3.960 30 20 BHED CC(C)[C@@H](NCCCCC#N)c1ccc(F)cc1 57627971 ZYQJIGXGRCKAON-OAHLLOKOSA-N 248.345 3.806 30 20 BHED CCCN(CCCCC#N)Cc1ccccc1 71016084 HQXLULMXLWKNPF-UHFFFAOYSA-N 230.355 3.592 30 20 BHED Cc1c(C)c(C#N)c(C)c(C)c1Br 90562566 WAMADLQGDGJCLT-UHFFFAOYSA-N 238.128 3.554 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cc(F)ccc1F 116907716 TXTVMQYYOHSWAB-VHSXEESVSA-N 225.282 3.580 30 20 BHED Cc1ccc(F)c(/C=C/C(=O)c2ccco2)c1 118979450 PHNMHEMFUNSEDH-FNORWQNLSA-N 230.238 3.623 30 20 BHED C=CCSCCN[C@@H](CC)c1cccs1 129337152 PWCHHZRTXYSYSJ-NSHDSACASA-N 241.425 3.708 30 20 BHED C=CCC[C@H](C)Nc1ccc(CN(C)C)cc1 130600743 DDNURMRESXFCRR-ZDUSSCGKSA-N 232.371 3.515 30 20 BHED CC1(C)CCC[C@@H](NCc2cc(C#N)cs2)C1 149518943 MJFHNFXLQMTJKH-GFCCVEGCSA-N 248.395 3.678 30 20 BHED CC1(C)CCC[C@H](NCc2ccc(C#N)s2)C1 161133275 YYOBKYPCSPHCNX-NSHDSACASA-N 248.395 3.678 30 20 BHED C=CC[C@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 163340441 VGPUCMAPVCLRCU-FZMZJTMJSA-N 248.326 3.600 30 20 BHED CC(C)CCN(CCC#N)Cc1ccc(F)cc1 173539425 VTMIYNGHMCQZBB-UHFFFAOYSA-N 248.345 3.587 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cccc(C)c1C 189753346 YNACNSSRYIEXMX-OAHLLOKOSA-N 231.339 3.844 30 20 BHED C[C@@H](NCC(C)(C)CCC#N)c1ccsc1 229695316 CQGNURIRGVWRJP-LLVKDONJSA-N 236.384 3.729 30 20 BHED Cc1ccc(Cl)c(NCC2(CC#N)CC2)c1 232243728 CQPUYPKOSXVBRO-UHFFFAOYSA-N 234.730 3.754 30 20 BHED CC(C)c1nccn1CCCCC(C)(C)C#N 232746682 ZTHJHTPLQNMAPT-UHFFFAOYSA-N 233.359 3.727 30 20 BHED C=CC[C@@H](C)NCc1ccc(C)c(Cl)c1 235422035 XCVRJWTWZFLWMA-LLVKDONJSA-N 223.747 3.703 30 20 BHED CC(C)N(CCCCC#N)Cc1ccc(F)cc1 263821936 QKAYNLGZWWETEW-UHFFFAOYSA-N 248.345 3.730 30 20 BHED C=CC[C@@H](C(=O)N(CC)CCC)c1ccccc1 275129277 XSLUEBJNGRMNOT-OAHLLOKOSA-N 245.366 3.605 30 20 BHED CC(C)(C#N)CCCCN1CCC[C@@H]2CCC[C@H]21 300121425 WAWRHHFFJVGOBW-LSDHHAIUSA-N 248.414 3.971 30 20 BHED C=CCCCCNc1ccc(C(F)(F)F)cn1 302262052 PXUDBJRMRRQDQD-UHFFFAOYSA-N 244.260 3.869 30 20 BHED C=CCC(C)(C)CNCc1ccc(OC)c(C)c1 310898896 VZUFEPJFELKFKZ-UHFFFAOYSA-N 247.382 3.696 30 20 BHED Cc1ccc([C@@H]2CCC[C@@H]2NCCCC#N)cc1 346823687 HOEKUWCEGYVPRB-HOTGVXAUSA-N 242.366 3.525 30 20 BHED N#C[C@@H]1CCC[C@H](NC(C2CCC2)C2CCC2)C1 353975774 VXEQWQIUEVEZNR-DOMZBBRYSA-N 246.398 3.627 30 20 BHED C=CC(C)(C)CNCc1ccc(SC)cc1 384868307 QJHQTLLTBUUBFJ-UHFFFAOYSA-N 235.396 3.710 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@H](C)CCCC 410009533 FZZAGNQVPHETME-CHWSQXEVSA-N 225.376 3.674 30 20 BHED C=CC[C@@H](CC)NC(=O)C[C@@H](CC)C(C)C 410118865 IVEACGSKKKKVCH-CHWSQXEVSA-N 225.376 3.530 30 20 BHED CC[C@H](N[C@@H](C)CCC#N)c1ccc(C)cc1 411436698 IFUCVLKBJITWKJ-ZFWWWQNUSA-N 230.355 3.728 30 20 BHED Cc1cccc([C@H](C)NCC(C)(C)CC#N)c1 414165724 MMQRNKQDGRXGJD-ZDUSSCGKSA-N 230.355 3.586 30 20 BHED N#Cc1ccc(CN(C2CCC2)C2CCC2)s1 430116190 XBZFXTYLZBDKOK-UHFFFAOYSA-N 246.379 3.527 30 20 BHED C=CC(C)(C)CN[C@@H]1CCCc2c(O)cccc21 453310576 RTHWYHLSNNUDNE-CQSZACIVSA-N 245.366 3.571 30 20 BHED C=CCCCCNC(=O)C[C@@H](C)CC(C)C 471667708 LJZUKQXPIDAKFM-ZDUSSCGKSA-N 225.376 3.531 30 20 BHED C=CCC[C@H](CCC)N[C@@H](C(C)C)C(C)(C)O 477850687 CBORKQIKZHHRRT-KBPBESRZSA-N 241.419 3.506 30 20 BHED CCCCC[C@H]1CCCN1c1ccc(C#N)cn1 486923660 IGLVRFMEHQPKRF-AWEZNQCLSA-N 243.354 3.502 30 20 BHED C=CCCCCCN1CCC2(CCC2)C1 488204061 QVQIHOBUWVCBNS-UHFFFAOYSA-N 207.361 3.609 30 20 BHED CC(C)[C@H]1CCC[C@H](Nc2ncccc2C#N)C1 505582844 VWZLKQQVQLQLIS-JSGCOSHPSA-N 243.354 3.580 30 20 BHED N#Cc1ccc(-c2cccc3ccncc23)s1 589962889 DXCZXYAIUXLGKX-UHFFFAOYSA-N 236.299 3.835 30 20 BHED CN(CCC(C)(C)C)CC(C)(C)CCC#N 592523634 PHIBAFXGJUWXFZ-UHFFFAOYSA-N 224.392 3.684 30 20 BHED C=CC1CCN([C@@H]2CCCc3ccccc32)CC1 600679938 JCQMPAABUARHNY-QGZVFWFLSA-N 241.378 3.962 30 20 BHED N#Cc1ccc(/C=C/c2cscc2Cl)nc1 610927772 KUXOADMFSUVBJS-DUXPYHPUSA-N 246.722 3.839 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C[C@H](C)CCC)C1 617785548 LFQLJIWOXWOJKC-ZIAGYGMSSA-N 237.387 3.627 30 20 BHED C#CCCOC(=O)C[C@@H](C)CCCCCC 727954616 ASOHFBNCLGERSM-ZDUSSCGKSA-N 224.344 3.550 30 20 BHED C=CCCOC(=O)c1ccccc1SCC 729072832 YSOXMWKZYBIPEN-UHFFFAOYSA-N 236.336 3.532 30 20 BHED CCC(C[C@H](C)CC)=NNC(CC)CC 734366252 KBTJSBGQKCPAIA-LLVKDONJSA-N 212.381 3.967 30 20 BHED C=CCCCC(=O)OCCCc1ccccc1 748227278 QFLCXHUQCBGMFN-UHFFFAOYSA-N 232.323 3.519 30 20 BHED C=CCOC(=O)[C@H](C)c1ccc2ccccc2c1 753400942 XZTDMQXXTPASQJ-GFCCVEGCSA-N 240.302 3.673 30 20 BHED FC(F)CON=C1CC[C@H]2CCCC[C@@H]2C1 758912796 YPHZYVYQOJXWDM-NXEZZACHSA-N 231.286 3.614 30 20 BHED CC(CCCC(C)C)=NNc1cc(C)nc(C)n1 764684527 ZMNMFLQBLAIOER-UHFFFAOYSA-N 248.374 3.708 30 20 BHED C#CCCCN1CC[C@@H](c2ccccc2)[C@@H](C)C1 766902549 KKYKWRIWQFWKLJ-DOTOQJQBSA-N 241.378 3.525 30 20 BHED C#C[C@@H](C)N(C)Cc1ccccc1-c1ccccc1 775183040 GQPFWPKDBDVJNV-OAHLLOKOSA-N 249.357 3.807 30 20 BHED C#CCCN[C@H](c1ccc(Cl)cc1)C1CCC1 775379333 QZGMWFIDEFSGQZ-HNNXBMFYSA-N 247.769 3.794 30 20 BHED C=CCCC[C@@H](C)NC(=O)CCCCCC 775923073 IDWDAPKWFAPYGO-CYBMUJFWSA-N 225.376 3.818 30 20 BHED CCC(=NNc1ccnc(F)c1)C1CCCCC1 781133852 VPHUBRQLUIKADK-UHFFFAOYSA-N 249.333 3.979 30 20 BHED C#CC[C@@H](N[C@@H]1CCC1(C)C)c1ccccc1 793545852 DCLZWUKZFWYHTO-HUUCEWRRSA-N 227.351 3.529 30 20 BHED C=CCCCCCCCCNC(=O)/C=C\C 809259812 KGZQNLBZNJXOCH-QCDXTXTGSA-N 223.360 3.595 30 20 BHED C#C[C@H](CC)N[C@@H]1CCC[C@@H]1c1ccc(C)cc1 809686041 JRUBCNHDOSSENO-BRWVUGGUSA-N 241.378 3.633 30 20 BHED CCC(=NOC/C=C\Cl)c1ccccc1F 811670559 VKNCSSXEQPWNRG-UJIJHOJUSA-N 241.693 3.709 30 20 BHED C[C@@H](C=NOC/C=C\Cl)c1ccc(F)cc1 811671621 HXPQGPOQGNUDHH-DGGDVPPWSA-N 241.693 3.684 30 20 BHED C[C@H]1CC(C)(C)CC1=NOCCC1CC1 814245176 UJNOUKIRRNTSSJ-JTQLQIEISA-N 209.333 3.615 30 20 BHED C[C@@H]1SCCC1=NNc1cccc(Cl)c1 814693484 SGAHKLXVIQBGOG-QMMMGPOBSA-N 240.759 3.633 30 20 BHED Cc1ccc(C=NNC2CCCC2)c(Cl)c1 844583113 RUGUDRLNSZILCY-UHFFFAOYSA-N 236.746 3.515 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc2c(c1)CCCO2 850444856 WGDVHNUFTWCPLJ-CHWSQXEVSA-N 245.366 3.627 30 20 BHED CCC(CC)Sc1nc(C#N)c(Cl)s1 853251080 LUBHCCVXRVVGFL-UHFFFAOYSA-N 246.788 3.949 30 20 BHED CC(=NNc1ccnc(Cl)c1)C1CCCC1 853393748 AMOPFMPECUQPMO-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C=CCCC(C)(C)NC(=O)/C=C(\C)CCC 856374062 KSPIVGDJIHFWCX-VAWYXSNFSA-N 223.360 3.594 30 20 BHED C=CCC[C@@H](C)OC(=O)C[C@H](C)c1ccco1 859813406 JVDICGIWEJZDHS-NWDGAFQWSA-N 236.311 3.671 30 20 BHED CC(C)c1cnn(CCCCC2(C#N)CCC2)c1 902755412 ONPPACWLHCIAOQ-UHFFFAOYSA-N 245.370 3.871 30 20 BHED C=Cc1ccccc1NC(=O)N1CCC(=C)CC1 932072555 XVHHUSWHMGUWSL-UHFFFAOYSA-N 242.322 3.514 30 20 BHED N#CCCCSCc1cnc2ccccc2c1 1261380303 BQJFLNLZLHRPFV-UHFFFAOYSA-N 242.347 3.772 30 20 BHED Cc1cc(N[C@H]2CCCC(C)(C)C2)ncc1C#N 1612265750 OSTFPCQWTLBBBJ-ZDUSSCGKSA-N 243.354 3.642 30 20 BHED N#Cc1sc2cc(F)ccc2c1Cl 40175347 JEOSNFRIXKETPO-UHFFFAOYSA-N 211.648 3.565 30 20 BHED Cc1ccc(-c2nc3cc(C#N)ccc3[nH]2)cc1C 107793146 ODXPGEPTEOOEFP-UHFFFAOYSA-N 247.301 3.718 30 20 BHED C=CCCN(C)[C@H](C)c1sc(CC)nc1C 122074226 SGMAAWPUDADZQU-LLVKDONJSA-N 238.400 3.583 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1cnc(C)s1 133077011 HSCNZUKKSSJHSL-QWRGUYRKSA-N 238.400 3.847 30 20 BHED CCCCCCCOc1ccccc1[N+](=O)[O-] 141458547 MEJHXVWSGQGTPK-UHFFFAOYSA-N 237.299 3.944 30 20 BHED CCCCOc1ccc(C(F)(F)F)c(C#N)c1 164500284 KMFITDDBMINUAA-UHFFFAOYSA-N 243.228 3.756 30 20 BHED CCCCCSC[C@@H](O)c1ccc(C#N)cc1 180618447 LQFOKCWCIJYUBB-CQSZACIVSA-N 249.379 3.515 30 20 BHED C=CCC[C@@H](C)NC1(c2cccc(F)c2)CC1 186321842 CXIBITXCJKVVKS-GFCCVEGCSA-N 233.330 3.759 30 20 BHED C=C(Cl)CN(CC)[C@@H](C)Cc1ccsc1 187779939 STQMWXPQQMQWAB-NSHDSACASA-N 243.803 3.754 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cc(C)ccc1C 189747322 BIRFCRKWSCTEOA-HNNXBMFYSA-N 231.339 3.844 30 20 BHED CCCCN(CCCCC(C)(C)C#N)C1CC1 232975932 BCBCZKWTVCTIMO-UHFFFAOYSA-N 236.403 3.971 30 20 BHED C[C@@H]1[C@@H](NCc2cc(C#N)cs2)CCC[C@H]1C 246270322 VTIXWKTXODRFRI-SUNKGSAMSA-N 248.395 3.534 30 20 BHED CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(C#N)cc1 252743640 QBQIGXTTZWPGPB-XPKDYRNWSA-N 242.366 3.788 30 20 BHED CCN(C/C(C)=C\c1ccccc1)C[C@@H](C)C#N 255638161 ABGMTNSYVHKKRV-LTBFUDJGSA-N 242.366 3.571 30 20 BHED C=CCCNc1ccc(C2CCC2)cc1 308885417 VRJFYLRWTLAHOJ-UHFFFAOYSA-N 201.313 3.942 30 20 BHED C=CCCCCC[C@H](C)NCc1ccco1 309533761 DQYFMOKWLFFCLD-ZDUSSCGKSA-N 221.344 3.894 30 20 BHED CC(C)(CNc1ccnc(C#N)c1)C1=CCCC1 312569387 YMQQVUFXZCWLFT-UHFFFAOYSA-N 241.338 3.502 30 20 BHED C[C@H](c1ccccc1F)N1CCC(CC#N)CC1 335977034 GUULQVVACIFSCU-GFCCVEGCSA-N 246.329 3.512 30 20 BHED C=C(CN[C@H](C)c1cncs1)c1ccccc1 346781210 QAHUHFSHAGYZNQ-GFCCVEGCSA-N 244.363 3.507 30 20 BHED C=C(C)CCNc1cccc(Cl)c1OC 389895666 YRDXEGAETYEXKQ-UHFFFAOYSA-N 225.719 3.727 30 20 BHED Cc1ccccc1[C@H](C)SCCC#N 413012735 MVLZYQREQDRGAK-NSHDSACASA-N 205.326 3.703 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H](CC)[C@@H]1CC1(C)C 424897909 WNOQLIYUDMIDEI-NWDGAFQWSA-N 237.387 3.530 30 20 BHED N#CC1(CN2CCC[C@@H]2C2CCCCC2)CCC1 450269069 HBKLDHIWURNIAQ-OAHLLOKOSA-N 246.398 3.725 30 20 BHED Cc1cccc([C@H](C)NCC2(C#N)CCC2)c1C 450673332 OWHMLDJWFNPGCI-AWEZNQCLSA-N 242.366 3.648 30 20 BHED C=C(CC)CNC(=O)[C@H](c1ccccc1)C(C)C 456809498 BYWLAMJMVJRLNJ-HNNXBMFYSA-N 245.366 3.509 30 20 BHED C=CCC1(C(=O)N(C)[C@H](C)CCC)CCCC1 460011340 SPBFXUOWEBGKOG-CYBMUJFWSA-N 237.387 3.770 30 20 BHED C=CCC[C@H](CCC)N[C@@H](C)Cc1ccncc1 462115476 GSXQPFCOMRUAAE-HOCLYGCPSA-N 246.398 3.737 30 20 BHED C=C(C)CN1CCC(C)(c2ccccc2)CC1 510789271 BQNRSQSFXDFHGT-UHFFFAOYSA-N 229.367 3.616 30 20 BHED CC(C)c1nc2ccc(NCCC#N)cc2s1 569476210 RCSOUSQWNHCMOJ-UHFFFAOYSA-N 245.351 3.745 30 20 BHED Cc1csc(-c2cccc(C3(C#N)CC3)c2)n1 594629528 YLGHYUMFFOLSKJ-UHFFFAOYSA-N 240.331 3.674 30 20 BHED C[C@H](CCC#N)CN1CCC[C@H]1C1CCCC1 602448631 JVGRDXZYFDZFTH-HIFRSBDPSA-N 234.387 3.581 30 20 BHED C=CCCSCc1ccccc1OCC 610087752 KAICSCJLKCMROR-UHFFFAOYSA-N 222.353 3.895 30 20 BHED CC[C@@H](CC(F)F)CN(CCC#N)CC(C)C 688732124 REOOLMRZAGUDCG-LBPRGKRZSA-N 246.345 3.539 30 20 BHED C=CCN(CC1CCCCC1)C(=O)C=C1CCC1 755309795 GZJOBYGVBNAADS-UHFFFAOYSA-N 247.382 3.692 30 20 BHED Clc1ccc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)cn1 762421162 HDQJWYDGSXRTNL-GARJFASQSA-N 249.745 3.569 30 20 BHED C=CCN(Cc1cnc(C(C)C)s1)C(C)C 768548236 YPGJSEDJTHSBRF-UHFFFAOYSA-N 238.400 3.663 30 20 BHED CCCCCCCN1CCC[C@](C)(OC)CC1 796500520 NSMRAAFUJVMUOZ-HNNXBMFYSA-N 241.419 3.848 30 20 BHED CC1=CCC[C@H](C)[C@H]1C=NOC/C=C\Cl 811669218 YFIQPLAPNFUFFQ-RTDPBOOVSA-N 227.735 3.734 30 20 BHED C1CC[C@@H]2CCC(=NOCC3CC3)C[C@@H]2C1 814244724 HCSJTHVYWZXURU-OLZOCXBDSA-N 221.344 3.759 30 20 BHED CC(C)[C@@H]1CC(=NOCc2ccccc2)CS1 814791119 BQJOSMFTCKACNB-AWEZNQCLSA-N 249.379 3.721 30 20 BHED C[C@H](CCc1ccco1)N[C@H](C)CC(C)(C)C#N 829178254 DGKZJAWQCLQVAD-CHWSQXEVSA-N 248.370 3.519 30 20 BHED C1CC(CON=C2CCCC23CCC3)C1 853440294 CBVJZIULACUSDP-UHFFFAOYSA-N 207.317 3.513 30 20 BHED C=CCOCCSC[C@H](CC)CC(F)F 853774422 KNJTXIYAWCDMPU-SNVBAGLBSA-N 238.343 3.604 30 20 BHED CCCCCCCCCC=NN1CCOC1=O 863162809 AVXCDYRPQUDBQP-UHFFFAOYSA-N 240.347 3.565 30 20 BHED O=C(/C=C\c1ccc(Cl)cn1)C1CCCCC1 901443748 ABPUDBKTJAENKZ-HJWRWDBZSA-N 249.741 3.898 30 20 BHED C=C(C)CNc1cccc(OCC(F)(F)F)c1 915214484 NUPQDAVWYAFKQZ-UHFFFAOYSA-N 245.244 3.616 30 20 BHED Fc1ccc(F)c(C=NOCc2ccccc2)c1 915960139 RJLQCFHFFGUGSW-UHFFFAOYSA-N 247.244 3.516 30 20 BHED CC1CCC(N[C@@H](C)c2cccc(C#N)c2)CC1 37201587 ALAQOPYXDGBSIM-UYJPIKCFSA-N 242.366 3.788 30 20 BHED C=CCN1CCC[C@@H]1c1cccc(Cl)c1 52077647 OXAGWHGXJISDPO-CYBMUJFWSA-N 221.731 3.663 30 20 BHED C=C(Cl)CN[C@@H](CC)C1CCCCC1 52339313 WLQQAODRDZCCNQ-LBPRGKRZSA-N 215.768 3.687 30 20 BHED CCC1(C)CCN(CCCC(C)(C)C#N)CC1 87608720 XFTWUVCEEJYFGW-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C=CCC[C@H](C)Nc1ccc(N(C)C)cc1C 130589981 UJIVOMIBGHEEMQ-ZDUSSCGKSA-N 232.371 3.828 30 20 BHED C=CC[C@H](C)NC(=O)CC[C@H](C)c1ccccc1 133340464 JTOQKDFTAHJKDX-KBPBESRZSA-N 245.366 3.651 30 20 BHED Cc1cc(CNCC(C)(C)CCC#N)ccc1F 174252626 WELOOQFFPYMITR-UHFFFAOYSA-N 248.345 3.554 30 20 BHED C[C@H](NCC(C)(C)CCC#N)c1cccs1 229672010 WZAQNQWOONRPIG-NSHDSACASA-N 236.384 3.729 30 20 BHED C#C[C@H](CCC)NC(=O)C1(CC(C)C)CCCC1 233356995 PBLIBRIWFKVEAA-CQSZACIVSA-N 249.398 3.511 30 20 BHED Cc1nsc(NC[C@@H]2CCC[C@H](C)C2)c1C#N 235643922 SFYNRGBOUYSFKE-GXSJLCMTSA-N 249.383 3.561 30 20 BHED CC(CCC(C)C)=NNc1nc2ccccc2[nH]1 254736201 JLNMOIUXLSMHHY-UHFFFAOYSA-N 244.342 3.787 30 20 BHED C#CCCCN(Cc1ccccc1)[C@H](C)CC 307004679 DUOOBEDUHMGDAY-OAHLLOKOSA-N 229.367 3.701 30 20 BHED Cc1nsc(NCCCC(C)(C)C)c1C#N 309922874 TWETVDZHSOHBBB-UHFFFAOYSA-N 237.372 3.561 30 20 BHED Cc1ccc2[nH]c(-c3ccc(C#N)cc3)nc2c1C 311816843 HKTMHXTWKSUFQU-UHFFFAOYSA-N 247.301 3.718 30 20 BHED CCC[C@@H](CC)[S@@](=O)CCCC(C)(C)C#N 359446201 YRXBRUKPZIWGPE-WBMJQRKESA-N 243.416 3.644 30 20 BHED C=CCC1(C(=O)N2C[C@@H](C)CC(C)(C)C2)CCC1 359859684 UXQFJFSVJIDXOM-ZDUSSCGKSA-N 249.398 3.627 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@@H](CC)CC(C)C 410772902 ARSWKZCLWILQQJ-UONOGXRCSA-N 237.387 3.626 30 20 BHED C=CCCCC[C@H](C)NC[C@@H]1CC12CC2 417345300 XNRXVXCEXDUDGL-STQMWFEESA-N 207.361 3.511 30 20 BHED C[C@@H](c1cccc(C#N)c1)N(C)[C@H]1C=CCCC1 425530045 DETYLLHFGJXFMW-BBRMVZONSA-N 240.350 3.660 30 20 BHED CC[C@H](NCC1(CC#N)CC1)c1ccc(C)cc1 430756914 VBHJQBOEDDFKOB-HNNXBMFYSA-N 242.366 3.730 30 20 BHED CCCOc1ccccc1N[C@H]1CC[C@@H](C#N)C1 442849274 BRARBLJVOVTWDS-OLZOCXBDSA-N 244.338 3.580 30 20 BHED C=CC[C@H]1N(Cc2cnoc2C)CCCC1(C)C 444773654 FGSICKNRKMQSIK-CQSZACIVSA-N 248.370 3.550 30 20 BHED C=C(C)CNCc1cc(OC)c2ccccc2c1 449270973 RVGXHSTVULCSCK-UHFFFAOYSA-N 241.334 3.514 30 20 BHED N#Cc1ccc(N[C@@H]2C[C@@H]2Cc2ccccc2)cc1 462874538 MXQQAIVERZKXRL-DOTOQJQBSA-N 248.329 3.601 30 20 BHED C=C(C)CN[C@@H](c1ccc(F)cc1)C(F)(F)F 488215562 GVSWYXATYWSPDG-NSHDSACASA-N 247.235 3.595 30 20 BHED C=CCCCCCN1CC[C@H]2CCC[C@@H]21 489025989 JQQPWZXVDPVDBW-KGLIPLIRSA-N 207.361 3.607 30 20 BHED C=CCC(C)(C)CNC(=O)CCCC(C)(C)C 489742861 QSPHIYGENXMCRT-UHFFFAOYSA-N 239.403 3.921 30 20 BHED C=C(C)CCN(C)[C@H](C)c1ccc(OC)cc1 509831641 GMQCVENGRRYHPN-CYBMUJFWSA-N 233.355 3.654 30 20 BHED C=C(C)CN(CC)CCc1ccc(CC)cc1 523775318 JZVHQRBZMQTFQT-UHFFFAOYSA-N 231.383 3.690 30 20 BHED C=CC1CCN(Cc2cccc(Cl)c2)CC1 538728840 BHEBTYHBDFAIFX-UHFFFAOYSA-N 235.758 3.738 30 20 BHED C=CCCC[C@@H](C)NCCCc1cnccc1C 579776536 SDYHTEGJKWZSHZ-OAHLLOKOSA-N 246.398 3.657 30 20 BHED Cc1cccc(C)c1/C=C\C(=O)c1ccncc1 588386335 GZSIQHVKZAEPOQ-SREVYHEPSA-N 237.302 3.595 30 20 BHED CC(C)CC1(N[C@H](C)c2ccc(C#N)cc2)CC1 595096256 XVWFITPQUBUUSD-CYBMUJFWSA-N 242.366 3.788 30 20 BHED CC[C@H](NC[C@H](C)CCC#N)c1ccccc1 602523461 CVDSUPLFZUMIAZ-HIFRSBDPSA-N 230.355 3.667 30 20 BHED C=CCCCCCN(C)C(=O)N[C@H](C)CCC 606919190 TXGIXRDSFIGLJL-CYBMUJFWSA-N 240.391 3.563 30 20 BHED C=CCCSCCOc1c(C)cccc1C 610087480 ARIWRZOVPKKCSA-UHFFFAOYSA-N 236.380 3.992 30 20 BHED C=CCCCOC(=O)[C@H](C)CC1CCCC1 735535377 GHRSGTHGRSHJMI-GFCCVEGCSA-N 224.344 3.712 30 20 BHED CCCCCCCOC(=O)CC1CCC1 744046779 IOZHCXVEZZBHNC-UHFFFAOYSA-N 212.333 3.690 30 20 BHED CO[C@@]1(C)CC(=NNc2ccc(C)cc2)C1(C)C 746557813 MGISATOBEPSYFG-HNNXBMFYSA-N 246.354 3.598 30 20 BHED C#CCCCCN[C@@H]1C[C@@H](C)c2c(C)cccc21 773033283 AESZBIQXQNVYMG-GDBMZVCRSA-N 241.378 3.936 30 20 BHED CC[C@H](C)NN=C1CCCC[C@@H]1C(C)C 790186067 AMDBFIKZHIAHBO-NWDGAFQWSA-N 210.365 3.577 30 20 BHED C=CCC(C)(C)C(=O)OCc1ccc(C)cc1 796463081 LYRHACSXRKCQBY-UHFFFAOYSA-N 232.323 3.641 30 20 BHED CCCC[C@@H](C)C(C)=NNc1ccnc(F)c1 807983130 YDDFBNJFLSROAI-SNVBAGLBSA-N 237.322 3.835 30 20 BHED CC[C@@H]1CCC[C@H](C=NOC/C=C/Cl)C1 811671801 XFXSQUXBPHCIOB-BRBTYMFLSA-N 229.751 3.958 30 20 BHED C(=NOC1CCCCC1)c1cccc2cc[nH]c12 814908709 ANADQIWZAWPLNV-UHFFFAOYSA-N 242.322 3.851 30 20 BHED CCCCCCCCCC(=O)N1CC2(CC2)C1 833326828 IQKFEQVXZJEFPS-UHFFFAOYSA-N 237.387 3.750 30 20 BHED N#CC1(CSC/C(Cl)=C/Cl)CCC1 842193392 KWPAAOBNGKKFOQ-YWEYNIOJSA-N 236.167 3.732 30 20 BHED C(=NOCC1CCC1)[C@H]1CCc2ccccc21 853439296 GWPMBRQQXLVPEM-CQSZACIVSA-N 229.323 3.519 30 20 BHED C(=NOCCc1ccc2ccccc2c1)C1CC1 853735143 OYYVGKFFFLLDMD-UHFFFAOYSA-N 239.318 3.795 30 20 BHED CCCCC=NNc1ccccc1Cl 864357952 BGHLHQARKBKTLI-UHFFFAOYSA-N 210.708 3.928 30 20 BHED Fc1ccc(CCC=NOC/C=C/Cl)cc1 1343572195 MQUNHGCORZOMCT-KXWUSNOISA-N 241.693 3.513 30 20 BHED C=C(Cl)CN1CC(C)(C)CCC1(C)C 1460467796 ZZKIQFISALQSDR-UHFFFAOYSA-N 215.768 3.640 30 20 BHED Cc1ccc(Sc2cc(C)c(C#N)cn2)s1 1472806609 YLBGSEFBUBAESQ-UHFFFAOYSA-N 246.360 3.783 30 20 BHED Cc1ccc(SCc2cc(C#N)ccn2)cc1 1643509908 WJJDDNLVYVOJON-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=C(Cl)CN(CC)c1ccc(F)c(C)c1 1648250239 KEEQDMZZGJDSQY-UHFFFAOYSA-N 227.710 3.713 30 20 BHED N#Cc1ccc(OCCCc2ccccc2)cc1 11800719 OWLIMDVGNCFIIC-UHFFFAOYSA-N 237.302 3.570 30 20 BHED CC[C@H]1CCC[C@H](Nc2cccc(C#N)c2)C1 71105724 JQXIWYCVGFMXTP-JSGCOSHPSA-N 228.339 3.939 30 20 BHED CC(C)[C@@H](C)N[C@H](CCC#N)c1ccccc1 90665873 WCFFNCAQQMUDHE-UKRRQHHQSA-N 230.355 3.666 30 20 BHED CCCCCCCCCn1ccsc1=O 158661400 ZYWAKJWAETXVPT-UHFFFAOYSA-N 227.373 3.660 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc(F)cc1C 189826415 FBAFVXPZNQJTJT-CQSZACIVSA-N 235.302 3.675 30 20 BHED C=CCC1(C(=O)N[C@H](C)c2ccccc2)CCC1 190210582 UUVREUKYABIRFG-CYBMUJFWSA-N 243.350 3.610 30 20 BHED CN(Cc1ccc(C(C)(C)C)cc1)C(C)(C)C#N 258777196 LAWHKONDRMPBPA-UHFFFAOYSA-N 244.382 3.718 30 20 BHED CC(C)(C#N)CCNC(C)(C)c1cccc(F)c1 271998069 GSFDEFHHAKNZSC-UHFFFAOYSA-N 248.345 3.590 30 20 BHED CC[C@@H](c1ccc(Cl)cc1)N(CC)CC#N 298094806 LAJUQRCMGVQKJZ-ZDUSSCGKSA-N 236.746 3.637 30 20 BHED C=CCCCCN[C@@H]1CCc2ccccc21 309197384 KKODVNXTEUKFKJ-OAHLLOKOSA-N 215.340 3.620 30 20 BHED C=C(CC)CN[C@@H](C)c1c(C)cccc1C 309739192 CZPSUULDNPOANN-AWEZNQCLSA-N 217.356 3.920 30 20 BHED C=C(CC)CNC1CC(c2ccccc2C)C1 313498209 MVEFBOBYHVUBCG-UHFFFAOYSA-N 229.367 3.797 30 20 BHED C=C[C@@H](C)NC(=O)Nc1c(CC)cccc1CC 362629547 AAMZRMGZZMRQJA-LLVKDONJSA-N 246.354 3.507 30 20 BHED Cc1cc([C@H](C)NCC(C)(C)CC#N)cs1 414171826 VKEVYDFRSNUXBN-NSHDSACASA-N 236.384 3.647 30 20 BHED C=C(CC)CSCC1CC(F)(F)C1 419434585 BEGCJQFTHQLGNB-UHFFFAOYSA-N 206.301 3.731 30 20 BHED C[C@H]1C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 424321680 HPZUUUOPYYBURE-JFILPPLUSA-N 240.350 3.517 30 20 BHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@@H]1CC[C@H](C#N)C1 424336454 YBWNRQQJOCSJFR-YIDVYQOGSA-N 248.414 3.729 30 20 BHED C=CCCCCCSc1nccn2ccnc12 432664624 GANFGVTUPMBXAY-UHFFFAOYSA-N 247.367 3.568 30 20 BHED C[C@@H]1CC(C)(C)CC[C@@H]1N[C@H]1CCC[C@H](C#N)C1 447585942 LBQGNEHTHOHGSG-QPSCCSFWSA-N 248.414 3.873 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1CCCc2c[nH]nc21 449197335 ZBCLCHFGQQJGDY-GXTWGEPZSA-N 247.386 3.512 30 20 BHED C=C(CC)CNC(=O)CC[C@@H](C)c1ccccc1 456813274 QBRYYPSDAOMMTO-CQSZACIVSA-N 245.366 3.653 30 20 BHED CC#CCCN1CCC[C@H]1c1cc(C)ccc1C 462317280 QURIVWRQOSKCJC-KRWDZBQOSA-N 241.378 3.854 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C1CCC(C)(C)CC1 488813501 IGPRRBNEFYVIOP-CQSZACIVSA-N 249.398 3.770 30 20 BHED C=C(CC)CSc1ccc(C#N)cc1 539115042 QUQDCKXEQCTLNY-UHFFFAOYSA-N 203.310 3.617 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H](C)C(CC)CC 539431156 WNMDADIYNIRLOH-QWHCGFSZSA-N 239.403 3.920 30 20 BHED CCC(CC)(CC)CN(C[C@H](C)C#N)C1CC1 542020244 VSTYONKNWHDKPP-CYBMUJFWSA-N 236.403 3.827 30 20 BHED C=CCC[C@H](CC)N[C@@H]1CCC[C@@H](F)C1 570569338 OGUOYWCTRAFNLZ-FRRDWIJNSA-N 213.340 3.602 30 20 BHED C#CC(C)(C)Cc1ccc(Br)cc1 585142589 MDPKPWCECLOHPQ-UHFFFAOYSA-N 237.140 3.651 30 20 BHED CCC[C@@H](CC)Sc1cc(C#N)nc(CC)n1 596223428 OEYGNYHTVXKJMU-LLVKDONJSA-N 249.383 3.581 30 20 BHED C[C@H](CN(C)CCCCC#N)C1CCCCC1 599633522 UQFRGIXRJNUWRV-CQSZACIVSA-N 236.403 3.828 30 20 BHED C=CCC(C)(C)CNC(=O)C1CCC2(CC1)CC2 615285996 LGWKLEMYWSIVIY-UHFFFAOYSA-N 249.398 3.675 30 20 BHED COc1ccc(NN=C2CCCCCC2)cc1 750920839 CNGDTDIBPNECGN-UHFFFAOYSA-N 232.327 3.817 30 20 BHED CC[C@@H]1CCCC1=NNc1cccc(C#N)c1 758373570 GKRDIBVEEFMHTP-GFCCVEGCSA-N 227.311 3.536 30 20 BHED C#CCCCN1C[C@H](C)C[C@@H]1c1cccc(F)c1 766904183 XTOUQWKHLJPAAY-CZUORRHYSA-N 245.341 3.622 30 20 BHED CCC(CC)NN=Cc1ccc(Cl)cc1C 767381456 XYJZSHNSFQYQKO-UHFFFAOYSA-N 238.762 3.761 30 20 BHED C#CCN(C(=O)/C(C)=C(\C)CC)C1CCCCC1 779878519 CMMAEKGVWKMIJK-BUHFOSPRSA-N 247.382 3.527 30 20 BHED CC(=NN[C@@H](C)C(C)(C)C)C1CCCCC1 793113823 GUTYJJVIVRJEMP-LBPRGKRZSA-N 224.392 3.967 30 20 BHED COc1ccccc1CON=C1C=C(C)CCC1 799117059 HSHMGCHDHPWEKY-UHFFFAOYSA-N 245.322 3.698 30 20 BHED CCCCC(C)=NOCc1ccccc1OC 799118763 UAJGZYIDVAIINY-UHFFFAOYSA-N 235.327 3.778 30 20 BHED C=CCCCCCCNC(=O)c1ccsc1 805218311 VWRXTPCSMKUCDB-UHFFFAOYSA-N 237.368 3.614 30 20 BHED Fc1ccc(C=NOC/C=C\Cl)cc1Cl 811671070 MXUHIIMPSFLFTB-YHHAPTPFSA-N 248.084 3.582 30 20 BHED CC[C@@H]1CCC[C@@H](C=NOC/C=C/Cl)C1 811671804 XFXSQUXBPHCIOB-VJBBPMDYSA-N 229.751 3.958 30 20 BHED C(=NOCCC1CC1)[C@@H]1CCc2ccccc21 814246835 ZXQPVCLBXHKJIE-AWEZNQCLSA-N 229.323 3.519 30 20 BHED Cc1ccc(NN=C2CC[C@@H](C)C2)cc1 814686073 VOCVSPDIIOAVOA-LLVKDONJSA-N 202.301 3.583 30 20 BHED CC(C)CCC=NNc1ncccc1Cl 814810875 XRZLRIBZNPQDCR-UHFFFAOYSA-N 225.723 3.569 30 20 BHED C=CCC(F)(F)C(=O)N[C@@H](C)CCCC(C)C 814892487 VDMMWRHVYGQAKO-NSHDSACASA-N 247.329 3.529 30 20 BHED C[C@@H](NN=C1CC[C@@H]1C1CCC1)C(C)(C)C 814938406 KJDGYUXLWJFAOR-ZYHUDNBSSA-N 222.376 3.577 30 20 BHED CC(=NOC1CCC1)[C@@H]1C[C@H]2C=C[C@H]1CC2 842533480 QPNWQSDEFINLMP-OBJOEFQTSA-N 219.328 3.534 30 20 BHED C=C1CCC(c2nc(-c3ccccc3)no2)CC1 904235727 FHCNFNHRZVZSTB-UHFFFAOYSA-N 240.306 3.950 30 20 BHED C=C(Cl)COC(=O)c1sccc1C(C)C 919731178 LZCINAHQEOXBPE-UHFFFAOYSA-N 244.743 3.781 30 20 BHED CC1(C)CCC(C)(CN[C@@H]2CC[C@@H](C#N)C2)CC1 1182396852 KNVRLIVOGXSWIA-ZIAGYGMSSA-N 248.414 3.875 30 20 BHED CC[C@@H]1CCCC[C@@H]1N(C)CC1(CC#N)CC1 1645303195 IPADLZDHPFBCLJ-KGLIPLIRSA-N 234.387 3.581 30 20 BHED CCC(CC)Nc1nc(C(C)(C)C)ccc1C#N 1651300375 DGUQHTUURCWRPD-UHFFFAOYSA-N 245.370 3.851 30 20 BHED C[C@H]1CCCC[C@@H]1CSc1ccc(C#N)cn1 1651757833 ZDZLXYUSDRBJGY-WCQYABFASA-N 246.379 3.872 30 20 BHED Cc1ccc(CNc2ccccc2C#N)s1 20090025 MYXPTKPXNDWMGU-UHFFFAOYSA-N 228.320 3.540 30 20 BHED CCCC[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 37284460 KNNYHNIZZIJTEG-STQMWFEESA-N 230.355 3.788 30 20 BHED Cc1ccccc1C(=O)/C=C/c1scnc1C 78692943 MGTGZIFEHPKVJK-BQYQJAHWSA-N 243.331 3.656 30 20 BHED N#C[C@H](Sc1nccs1)C1CCCCC1 115187509 YRYJVROAPHJIFB-JTQLQIEISA-N 238.381 3.708 30 20 BHED CC(C)c1ccc(OC[C@H](C#N)CCC#N)cc1 119238201 OLBJSSNXWMLZQR-ZDUSSCGKSA-N 242.322 3.632 30 20 BHED C=C(Cl)CN[C@H](CCC)c1ccccc1 135836016 WISNEUTWVVZNDT-CYBMUJFWSA-N 223.747 3.870 30 20 BHED C=C(C)CNC(=O)Nc1ccccc1C(C)(C)C 156118149 WDDDCQAFDKULNL-UHFFFAOYSA-N 246.354 3.682 30 20 BHED CCC[C@H]1CCCCN1Cc1ccc(C#N)s1 184234071 BFPGVNKXPUZQJD-LBPRGKRZSA-N 248.395 3.774 30 20 BHED C[C@@H]1CCN(CCCC(C)(C)C#N)C[C@@H](C)C1 246687874 MEVOFMJQMSFWSB-KGLIPLIRSA-N 236.403 3.684 30 20 BHED C=C(Cl)CN[C@@H](C)c1csc(C(C)C)n1 274499929 UXBLRDIUZYOUAP-VIFPVBQESA-N 244.791 3.670 30 20 BHED CC(C)(C)C(C)(C)CNCc1cccc(C#N)c1 310890295 UHEIEGIGUZQFOI-UHFFFAOYSA-N 244.382 3.720 30 20 BHED OC(=Nc1cn[nH]c1)[C@@H]1CCC[C@H]2CCCC[C@H]21 329031811 XIUSSSQZFQGJAG-RAIGVLPGSA-N 247.342 3.604 30 20 BHED C[C@H](CC#N)N(C)Cc1ccc(C2CCC2)cc1 351395607 JHALDLAIESCONW-CYBMUJFWSA-N 242.366 3.688 30 20 BHED C=CCCC1(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)CC1 361836213 DKZJVKZXAGBFPK-MGPQQGTHSA-N 249.398 3.626 30 20 BHED C=CCCCCC[C@@H](C)NCC(=C)Cl 379599922 KJTYPRMHAFLIFQ-GFCCVEGCSA-N 215.768 3.854 30 20 BHED CC[C@@H]1CCC[C@H]1N[C@@H](C)c1cccc(C#N)c1 388922742 SBQDHPNIKMBNHL-JGGQBBKZSA-N 242.366 3.788 30 20 BHED C=CC[C@@H](CC)N[C@H](C)Cc1ccccc1OC 393766544 CHDCDLSLNIBNDG-UKRRQHHQSA-N 247.382 3.571 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)Cc1ccc(O)cc1 398132406 WHJCUAOGGQQCDN-KBPBESRZSA-N 247.382 3.658 30 20 BHED C=CCCCCCSCc1cn(C)nc1C 419503205 SLULFJVFLSATFM-UHFFFAOYSA-N 238.400 3.708 30 20 BHED CCCC[C@@H]1CCC[C@H]1NCC1(CC#N)CC1 430741940 KJIHSDPPDHRJDX-ZIAGYGMSSA-N 234.387 3.629 30 20 BHED C=C(CC)CN(C)Cc1cc(C)ccc1F 444743305 KYJOPWWNXNRLJN-UHFFFAOYSA-N 221.319 3.532 30 20 BHED C=CCC[C@@H](CCC)NCCC[C@H]1CCOC1 449678740 BSEDUNZZDDUFOM-LSDHHAIUSA-N 239.403 3.528 30 20 BHED Cc1cc([C@H](C)NCC2(C#N)CCC2)c(C)s1 450667870 LJWNTVYXQALLGC-NSHDSACASA-N 248.395 3.709 30 20 BHED N#CC1(CN[C@@H]2CCCCC23CCCC3)CCC1 451052026 UVCKNXJYLCSLST-CQSZACIVSA-N 246.398 3.773 30 20 BHED C=CCN(C)C[C@H](c1ccccc1)C(C)C 474926396 HSICCEWCYYVCQS-HNNXBMFYSA-N 217.356 3.544 30 20 BHED C=CCCCC(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C 482272992 VKSBEZMQHPGZHR-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=CC[C@H](C)N[C@@H]1c2cc(C)ccc2C[C@@H]1C 494038922 NGBNXFHBVQZGQF-XEZPLFJOSA-N 229.367 3.783 30 20 BHED C=C(C)CN(CC)C/C=C\c1ccc(F)cc1 505881842 UBZJMDLGDCRVJQ-WAYWQWQTSA-N 233.330 3.737 30 20 BHED C=C(C)CN1CCC(c2ccccc2C)CC1 544531993 ZMDOWEHZYJLLKN-UHFFFAOYSA-N 229.367 3.751 30 20 BHED C=CCOCCSc1ccc(Cl)cc1 549012267 HWTXGZJBNXUACM-UHFFFAOYSA-N 228.744 3.635 30 20 BHED CCCCN(CC1(C#N)CC1)[C@@H]1CCC[C@H](C)C1 550382895 VGVQMJFTCNAZOA-LSDHHAIUSA-N 248.414 3.971 30 20 BHED CC(C)(C)C[C@@H]1C[C@H]1NCc1cc(C#N)cs1 593660636 LIPIDMLKDPYDRY-WCQYABFASA-N 248.395 3.534 30 20 BHED C=C(C)CN(C)C(=O)C[C@@H](C)CCC=C(C)C 648347982 KHHCBPJFKGNJPI-AWEZNQCLSA-N 237.387 3.794 30 20 BHED Cc1ccc2c(c1)C(=NNc1ccccc1)CC2 730945639 NUMFAPHIXKOCRL-UHFFFAOYSA-N 236.318 3.757 30 20 BHED C=CCN(CCOC1CCCCCC1)C(C)C 740875096 DTURLTTZHGTJGR-UHFFFAOYSA-N 239.403 3.622 30 20 BHED CCCCCCCC(=O)N1CCC[C@H](C)[C@@H]1C 741587204 KUUIJEZBAWCAJX-KBPBESRZSA-N 239.403 3.994 30 20 BHED C[C@H](C#N)CNN=C1CCC[C@@H](C(C)(C)C)CC1 746577870 INLNBZCGWHURFC-CHWSQXEVSA-N 249.402 3.718 30 20 BHED CC(=NNc1ccc(F)cc1C)c1ccccc1 750938426 HJKDDRVMGYIIGZ-UHFFFAOYSA-N 242.297 3.970 30 20 BHED C#CCCNc1ccccc1N(C)C1CCCC1 760302729 DTBBEEYMQAFQKT-UHFFFAOYSA-N 242.366 3.501 30 20 BHED CCC1(C)CCC(=NOCC(F)(F)F)CC1 764846810 PXSPRQWPZJXEHE-UHFFFAOYSA-N 237.265 3.912 30 20 BHED C#CCCCN(CC)[C@H](CC)c1ccccc1 766896052 OLQKFKDIDLYGGH-MRXNPFEDSA-N 229.367 3.873 30 20 BHED C#CCCCCN[C@@H](CCC)Cc1ccccc1 773041985 VGDFOSLATCJFNR-KRWDZBQOSA-N 243.394 3.791 30 20 BHED CCc1ccc(C=NOC2CCCC2)s1 774601219 AVAKKCTXQFAEJR-UHFFFAOYSA-N 223.341 3.604 30 20 BHED CC(C)CCCNc1ccccc1O[C@@H](C)C#N 783664888 OGTYPNMEXJXOOD-ZDUSSCGKSA-N 246.354 3.826 30 20 BHED CC#CC(=O)Nc1ccc2c(c1)oc1ccccc12 788282020 QCSSSMORONKLRU-UHFFFAOYSA-N 249.269 3.548 30 20 BHED CC1(C)CCC1=NNc1ccc(Cl)cc1 788928404 JFRNRNAHVBUSDN-UHFFFAOYSA-N 222.719 3.928 30 20 BHED Cc1cccnc1NN=C1CCC[C@H]1C(C)C 790193164 WIIHZCAACDGFEF-LBPRGKRZSA-N 231.343 3.614 30 20 BHED CC[C@@H](C)CC(=O)O[C@@H](C)c1cccc(C#N)c1 791800911 KHRSJERNTAPTQJ-NEPJUHHUSA-N 245.322 3.599 30 20 BHED C[C@@H](NN=Cc1c[nH]c2ccccc12)C(C)(C)C 793116300 WXEGXZBEKSAMCA-LLVKDONJSA-N 243.354 3.526 30 20 BHED C=CCCCCCCNC(=O)[C@H]1CC12CCCC2 805220241 IYMPPFPWRHVQGZ-CQSZACIVSA-N 249.398 3.819 30 20 BHED CCCC(C)=NNc1cc(C(F)(F)F)ccn1 834983811 HONLEKXUHLCYSD-UHFFFAOYSA-N 245.248 3.688 30 20 BHED C=CCCC(C)(C)NCc1cc(C)oc1C 850417203 PLAWUGMRDSGEFE-UHFFFAOYSA-N 221.344 3.731 30 20 BHED CCCCCCCCC(=O)N[C@@H]1C=CCC1 855422156 PCPWQZZEAIMJKC-CYBMUJFWSA-N 223.360 3.572 30 20 BHED C=CCC[C@H](CC)N[C@H](c1ccccn1)C1CC1 903338474 IEJSFROEAYFUTH-HOCLYGCPSA-N 244.382 3.867 30 20 BHED CCCNN=Cc1ccc(-c2ccccc2)cc1 915965772 ZQGRZIQJBSTWDP-UHFFFAOYSA-N 238.334 3.687 30 20 BHED C=C(C)CN(C)C(=O)c1cc(C(C)(C)C)oc1C 935273414 JRDKVQLUABVKKT-UHFFFAOYSA-N 249.354 3.534 30 20 BHED C[C@H]1CCC[C@@H]1NCCCCC1(C#N)CCC1 1333471045 KUQGPSJINQWDJF-KBPBESRZSA-N 234.387 3.629 30 20 BHED C[C@@H]1CN(c2cccc(F)c2C#N)CC(C)(C)C1 1472741715 PEPYNCVUGWODHZ-NSHDSACASA-N 246.329 3.570 30 20 BHED C[C@@H]1CCCN(CCC2(C#N)CCCCC2)CC1 1644464714 XMVDDYIZIFYVGW-OAHLLOKOSA-N 248.414 3.973 30 20 BHED Cc1ccccc1OCCCC(C)(C)C#N 57713426 GRUJYWAJSFZARI-UHFFFAOYSA-N 217.312 3.704 30 20 BHED CC(C)N(C/C=C/Cl)Cc1ccc(C#N)cc1 58397143 ADRYZGHUXJEQJG-FPYGCLRLSA-N 248.757 3.521 30 20 BHED C#CCCCCC(=O)N(CC)[C@@H]1CCCC[C@H]1C 120079414 CHZSCFXOCSVFPT-HUUCEWRRSA-N 249.398 3.607 30 20 BHED C#CCCCCN[C@@H]1CCC[C@H]1CCCC 130733185 UTJJKTJLNZACLG-HUUCEWRRSA-N 221.388 3.738 30 20 BHED CCCCCCCC(=O)N1CCC2(CCC2)C1 158618736 GPBLJYMYMCOXFB-UHFFFAOYSA-N 237.387 3.750 30 20 BHED C=CCCCC(=O)Nc1ncc(C(C)C)s1 175952866 NUNCSBLADLTPLM-UHFFFAOYSA-N 238.356 3.561 30 20 BHED C=C(C)CN(C)C(=O)C[C@@H](C)C1CCCCC1 180434395 ZLENCIQGSPXJRX-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=CCCCCCSC1=N[C@H](C)CS1 195444425 RNKNQRZJTNTTKL-SNVBAGLBSA-N 229.414 3.957 30 20 BHED N#Cc1ccnc(NC2CCCCCC2)c1Cl 236056232 MIQINEFXBUIWHT-UHFFFAOYSA-N 249.745 3.741 30 20 BHED C=C(C)CN[C@@H](C)c1c(C)cccc1C 308982202 INNOTEYTJJZHJU-ZDUSSCGKSA-N 203.329 3.530 30 20 BHED C=CC[C@H](CC)Nc1ncccc1Cl 336645159 BDIOPKYWLCGYTG-VIFPVBQESA-N 210.708 3.502 30 20 BHED CC(C)(C)CCCN(CCC#N)Cc1ccco1 337183999 NLVDBWAMVRHLHI-UHFFFAOYSA-N 248.370 3.822 30 20 BHED C=CC[C@H]1N(C(=O)CC2(C)CC2)CCCC1(C)C 347428880 KKNJYJIALVWOJR-CYBMUJFWSA-N 249.398 3.770 30 20 BHED C=CCC1(C(=O)N(CC)CC(C)(C)C)CCC1 362386242 CORWNQXMMCJQCF-UHFFFAOYSA-N 237.387 3.627 30 20 BHED N#Cc1ccc(N[C@@H]2CCC[C@@H]2F)cc1Cl 378850502 VNKXKVJLBBWGFL-NWDGAFQWSA-N 238.693 3.514 30 20 BHED C=CC[C@H](CC)N[C@@H](C)C1CCCCC1 379999011 LOBPQRYXEAZEAY-JSGCOSHPSA-N 209.377 3.900 30 20 BHED C[C@H](CC(C)(C)C)NCc1ccc(C#N)s1 384503328 DEHIJGQVCWCNRQ-SNVBAGLBSA-N 236.384 3.534 30 20 BHED Cc1ccc(Oc2ccc(C#N)c(C)n2)cc1C 385545838 VRRUOUKTSYZXEW-UHFFFAOYSA-N 238.290 3.671 30 20 BHED C=CCC1(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)CCCC1 416123945 YUTDBJCZXSWVDZ-MELADBBJSA-N 249.398 3.626 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cccc(C)c1C 424523604 JIWNXBUJCMQKDB-UHFFFAOYSA-N 231.339 3.844 30 20 BHED C=CCC[C@@H](NC[C@H]1CCC(F)(F)C1)C1CC1 430749104 SXJNVURMNDJAAF-WCQYABFASA-N 243.341 3.756 30 20 BHED C=CCC1(C(=O)N(C)c2ccccc2)CCCC1 449041396 MIQRSLHLSQQSDE-UHFFFAOYSA-N 243.350 3.786 30 20 BHED CC(C)CC[C@H]1CC[C@H](NCCCCC#N)C1 449131252 LDVACMKKHNATIF-GJZGRUSLSA-N 236.403 3.875 30 20 BHED C=CCCCC[C@H](C)NCC[C@@H]1CCCCO1 449236883 ZOXOJCGPAHEADZ-GJZGRUSLSA-N 239.403 3.670 30 20 BHED C=CC(C)(C)CNCc1cc2ccc(F)cc2[nH]1 449486113 QIEGGRCSVOPAAA-UHFFFAOYSA-N 246.329 3.609 30 20 BHED C=C(C)CNC(=O)Nc1cccc(C2CCC2)c1 463823860 BXCSBIHITSXNDS-UHFFFAOYSA-N 244.338 3.652 30 20 BHED C=CCCCCCN1CCS[C@H](C)CC1 489036014 HYJFLHJMOQSOIW-CYBMUJFWSA-N 227.417 3.560 30 20 BHED C=CCC(CC=C)C(=O)N(C(CC)CC)C1CC1 531570002 ILWVKFYNFADSOQ-UHFFFAOYSA-N 249.398 3.934 30 20 BHED C[C@@H](CC#N)N(C)C[C@H](C)CC1CCCCC1 544606405 RNSNDRQYHMFLIS-KGLIPLIRSA-N 236.403 3.827 30 20 BHED C=CCC(C)(C)C(=O)NC[C@H]1CCCC1(C)C 581093101 CWTGGGJKXXLNQQ-GFCCVEGCSA-N 237.387 3.531 30 20 BHED C=CCCCSCCOc1ccc(C#N)cc1 609804644 WRDGEQMGNNQTTE-UHFFFAOYSA-N 247.363 3.636 30 20 BHED C=CCCC(C)(C)NC(=O)C[C@@H](C)c1ccco1 628156510 RKANUNBAKMWQEV-GFCCVEGCSA-N 249.354 3.634 30 20 BHED C=CCCC[C@@H](C)N[C@H]1CCCc2ncccc21 631606325 ICPBDMBMVYUIJN-CJNGLKHVSA-N 244.382 3.793 30 20 BHED C[C@H](CC(C)(C)C#N)N[C@H](C)c1cccs1 695789202 VSLRTPXMQZFFHY-GHMZBOCLSA-N 236.384 3.727 30 20 BHED CC(=NNc1cc(C)cc(C)c1)c1cncs1 734745928 RNCTUNSBAQMCPD-UHFFFAOYSA-N 245.351 3.596 30 20 BHED Oc1ccc(Cl)cc1/C=N/[C@H]1CC=CCC1 735978507 GSCNQMPKSDTBTD-DGGAMASNSA-N 235.714 3.573 30 20 BHED CCCCC(C)=NNc1oc(C(C)C)nc1C#N 745625148 TWQPPRXGRWUYAV-UHFFFAOYSA-N 248.330 3.648 30 20 BHED C#CCCCCC(=O)OCc1ccc(C)c(C)c1 758525261 CGXBEFNCYIJZJS-UHFFFAOYSA-N 244.334 3.540 30 20 BHED C[C@H](C=NNc1ccc(Cl)cc1)CCC#N 765992529 LJQSJPQNUGUQHS-JTQLQIEISA-N 235.718 3.678 30 20 BHED C=CC[C@H](N[C@H](C)c1ccco1)c1ccncc1 766017822 DWWSGSPFCPEDSY-OCCSQVGLSA-N 242.322 3.643 30 20 BHED C#CCCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C 776026184 KAZGTCSPBMXDCP-KCPJHIHWSA-N 247.769 3.650 30 20 BHED CC(C)(C#N)CCOC(=O)/C=C/C1CCCCC1 776387922 YNPCXZXDACGATP-CMDGGOBGSA-N 249.354 3.606 30 20 BHED C#CC[C@H](NCCCC(C)C)c1ccccc1 783650191 MPBOONOIWKQPSP-INIZCTEOSA-N 229.367 3.777 30 20 BHED CC[C@H](C)CON=C[C@@H]1CCc2ccccc21 793162742 BWRQKVWPLGYFRB-JSGCOSHPSA-N 231.339 3.765 30 20 BHED C[C@@H]1CCCCC1=NNc1cccc(Cl)n1 793174968 OYMSSFWVGMMJAO-SECBINFHSA-N 237.734 3.713 30 20 BHED CCCCNN=C1CC[C@@H](c2ccccc2)C1 814806029 TZPFTYKMWKGUQU-CQSZACIVSA-N 230.355 3.700 30 20 BHED CC[C@H](C#N)OC(=O)C[C@H](C)CCC=C(C)C 830091303 OCGBLCWETRBQNX-CHWSQXEVSA-N 237.343 3.604 30 20 BHED C[C@H](C=NN1CCCC[C@H]1C)c1ccccc1 853378513 FNWXEUMPPXXFCJ-ZIAGYGMSSA-N 230.355 3.650 30 20 BHED C[C@H](C#N)Oc1ccccc1NCCCC1CC1 871833314 TUNZJHJSEIGXES-GFCCVEGCSA-N 244.338 3.580 30 20 BHED C=CC(C)(C)CC(=O)Nc1cccc(C)c1F 879388683 VHGWZDNHRWSXIU-UHFFFAOYSA-N 235.302 3.675 30 20 BHED C=CCCC(=O)Nc1ccc(C(F)F)cc1 885578485 YHBHWEDIUKHYDK-UHFFFAOYSA-N 225.238 3.529 30 20 BHED C=CC(C)(C)CC(=O)N1CCC[C@H]1C(C)(C)C 888816514 BEWWUGSKEXCULI-LBPRGKRZSA-N 237.387 3.626 30 20 BHED CCCNN=C(C)c1ccc(C(C)C)cc1 915965368 GUICMBOFYOCUPM-UHFFFAOYSA-N 218.344 3.534 30 20 BHED CCCCCCCCCn1nccc1[N+](=O)[O-] 918161772 PHHOCRCUVFMAMP-UHFFFAOYSA-N 239.319 3.542 30 20 BHED CCCCCCCCCC(=O)O[C@H](C)C#N 919223416 WRFJPPKOPITQBB-GFCCVEGCSA-N 225.332 3.582 30 20 BHED CC(C)(C)[C@@H]1CCC[C@H]1Nc1ncccc1C#N 1163480961 SSGUEXUZQIXYSJ-CHWSQXEVSA-N 243.354 3.580 30 20 BHED Cc1ccc2[nH]cc(C=NOC(C)(C)C)c2c1 1320325048 GOMPAFBQUHZDIP-UHFFFAOYSA-N 230.311 3.625 30 20 BHED C=C(Cl)CN1CCC[C@@H](C)[C@H]1CCC 1653646280 BGWHZYJFDVRTEW-ZYHUDNBSSA-N 215.768 3.640 30 20 BHED Cc1ccc([C@H](C)/N=C/c2ccccc2O)cc1 18118553 ZERIHNHHVCFEOB-HNEYUBDGSA-N 239.318 3.881 30 20 BHED N#CCc1ccc(NC[C@H]2CC=CCC2)cc1 37071202 IZCNKMUZDYYRHK-AWEZNQCLSA-N 226.323 3.521 30 20 BHED C=C(C)CNc1cccc(C(F)(F)F)c1 41571253 IZONFHCPHPUXHQ-UHFFFAOYSA-N 215.218 3.693 30 20 BHED C=CCCCN[C@@H](C)c1ccc(CC)cc1 70591761 ITGYKPURNQFOOH-ZDUSSCGKSA-N 217.356 3.866 30 20 BHED C=CCCCNc1ccc(C)c(NC(C)=O)c1C 77245434 UEKHKUIREVPRJV-UHFFFAOYSA-N 246.354 3.640 30 20 BHED Cc1ccc(CN(CCC#N)CC(C)(C)C)cc1 112581633 HGEAYJJDNDXUSD-UHFFFAOYSA-N 244.382 3.757 30 20 BHED C=C(C)CCN[C@@H](CC)c1ccccc1 168052875 PDEKWZNSGBTMDL-AWEZNQCLSA-N 203.329 3.694 30 20 BHED N#C[C@@H]1CCC[C@H](NCCC2=CCCCC2)C1 185763448 QJENTWRLYOUGMI-CABCVRRESA-N 232.371 3.549 30 20 BHED C=C[C@](C)(CC)c1nc(-c2ccccc2)no1 191152297 HBKBETHWEWRWFX-CQSZACIVSA-N 228.295 3.590 30 20 BHED CC[C@@H](C)C[S@](=O)CCCCC(C)(C)C#N 233844199 JLAQLEUYDIZTOV-MLGOLLRUSA-N 243.416 3.501 30 20 BHED CCC(CC)COc1ccc(C#N)c(C)c1 304145157 LDAAJPIUFZIQRG-UHFFFAOYSA-N 217.312 3.682 30 20 BHED Cc1cc(C#N)cc(NCc2ccccc2C)c1 308101597 HRFWQWJQAHOJRG-UHFFFAOYSA-N 236.318 3.787 30 20 BHED Cc1cc(C#N)cc(N[C@@H]2CCC[C@@H](C)C2)c1 308101672 HWGJZDNLSZKEBK-BXUZGUMPSA-N 228.339 3.857 30 20 BHED C=CCC[C@@H](CC)NCC(CC)(CC)OC 309997383 CKOOKCLPICJMPN-CYBMUJFWSA-N 227.392 3.526 30 20 BHED C=CCC[C@@H](CC)NCc1ccc2c(c1)COC2 358311734 ZNGWRARQGGSXON-MRXNPFEDSA-N 245.366 3.551 30 20 BHED C=CC[C@H](CC)NCc1cc(Cl)ccc1F 381344401 YKWFJMWCPNMQQO-LBPRGKRZSA-N 241.737 3.923 30 20 BHED C[C@@H](CC(C)(C)C)NCC(C)(C)CCC#N 384545491 PCQDIXKDPQTTQF-LBPRGKRZSA-N 224.392 3.731 30 20 BHED C#CCCCCNC(=O)C[C@@H](C)CCC=C(C)C 400950830 PUGPUIMUQMIGGO-HNNXBMFYSA-N 249.398 3.679 30 20 BHED C[C@@H]1CCC[C@H](CCSCCC#N)C1 413016635 WSBFQRKXHKVKDB-VXGBXAGGSA-N 211.374 3.850 30 20 BHED CC(C)(CC#N)CN[C@H]1CCCc2sccc21 414173461 XBNCBBFKYZJLOM-LBPRGKRZSA-N 248.395 3.655 30 20 BHED CC(C)(C)[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@H](C#N)C1 414306896 RPYNZENARVUSHQ-XQLPTFJDSA-N 248.414 3.873 30 20 BHED C=CCC[C@H](C)N[C@H]1CCCc2cc(N)ccc21 414941822 YXXWYGAILHJPPH-LRDDRELGSA-N 244.382 3.591 30 20 BHED CC[C@H](F)CN(Cc1ccc(C#N)cc1)C(C)C 440714177 PYFFFXKMYYRCKV-HNNXBMFYSA-N 248.345 3.517 30 20 BHED CC[C@@H](F)CSCc1ccccc1C#N 442554998 VNQLEUUXPISEPF-GFCCVEGCSA-N 223.316 3.540 30 20 BHED C=CC[C@@H](C)N[C@H](C)Cc1coc2ccccc12 449148970 LUKMBQHSONLMBF-CHWSQXEVSA-N 243.350 3.918 30 20 BHED C=CCCCC[C@@H](C)NC[C@H]1CCCS1 449189647 MKARXHOXUSILFE-CHWSQXEVSA-N 227.417 3.607 30 20 BHED C=CC(C)(C)CNC(=O)[C@H](CC)CCCC 456121670 XXEOBIAIWRQFEZ-GFCCVEGCSA-N 225.376 3.531 30 20 BHED C=CCCN(C)[C@H](CC)c1ccc(F)cc1F 467286395 UQXGSAFKPSMGJR-CQSZACIVSA-N 239.309 3.924 30 20 BHED CCc1ccc(/C=C/c2ccncc2C#N)cc1 470283231 CRVVGBFTKBTJBQ-BQYQJAHWSA-N 234.302 3.686 30 20 BHED C=CCCCCNC[C@H](C)c1ccc(F)cc1 472056173 ZWNALWJNEJQGSF-ZDUSSCGKSA-N 235.346 3.875 30 20 BHED CC1(CN[C@H]2CC[C@@H](C#N)C2)CCCCCC1 472149561 CLRXDYOANUWQEE-KGLIPLIRSA-N 234.387 3.629 30 20 BHED C=CCNc1cc(C(F)(F)F)ccc1OCC 477316501 CTNFCGDBJMCHNQ-UHFFFAOYSA-N 245.244 3.702 30 20 BHED C=C(C)CNC(=O)c1csc2cc(C)ccc12 480779607 NPOXXPMVIJGYEB-UHFFFAOYSA-N 245.347 3.516 30 20 BHED C=C(C)CCSc1nc2ccccc2nc1C 505659833 IKQCUCLTXJZQGB-UHFFFAOYSA-N 244.363 3.997 30 20 BHED C=CC[C@H](C)[C@@H](C)NCC(O)(CCC)CCC 531968574 QHVHZSGGQCCMMC-UONOGXRCSA-N 241.419 3.508 30 20 BHED C=CCC(C)(C)c1noc(-c2ccccc2C)n1 551134702 FJSVOPCJHKFAMC-UHFFFAOYSA-N 242.322 3.899 30 20 BHED CCCN(CC#N)CCCC1CCCCC1 577407702 CIXDCZMPQPNONT-UHFFFAOYSA-N 222.376 3.582 30 20 BHED CCCC[C@H](C)N(C)Cc1ccc(C#N)c(C)c1 582091661 CXDYARXAPIRIRA-AWEZNQCLSA-N 244.382 3.877 30 20 BHED N#C[C@@H](S[C@H]1CCc2ccccc2C1)C1CC1 601084791 CNAGGJINCDWOER-LSDHHAIUSA-N 243.375 3.579 30 20 BHED C=CCCCCCN(C)C(=O)C(C)(C)CC 606816654 IRQBXSGEWPBQJF-UHFFFAOYSA-N 225.376 3.627 30 20 BHED C[C@@H](C#N)N[C@H](CC1CCCCC1)C(C)(C)C 609677356 YXBQDQDJKUIZJL-GXTWGEPZSA-N 236.403 3.873 30 20 BHED CCCC[C@H](CC)NCc1ccc(C#N)cc1F 610812463 CZIIPPCGSCTYBM-AWEZNQCLSA-N 248.345 3.756 30 20 BHED C#Cc1cccc(Nc2nc(C(C)C)cs2)c1 730816398 UAWRHDHBAUGJDQ-UHFFFAOYSA-N 242.347 3.991 30 20 BHED C=CCCCC(=O)O[C@H](C)c1ccc(F)cc1 748225758 KEPHJVKSHAQGKO-LLVKDONJSA-N 236.286 3.786 30 20 BHED CCCCCCCCNC(=O)[C@@H](CC)SC 754854448 OGADXSPUBWBKNH-GFCCVEGCSA-N 245.432 3.605 30 20 BHED C#CCCN(CC)[C@@H](C)c1cc2ccccc2o1 760817147 CDOLZBWVTCXGTR-ZDUSSCGKSA-N 241.334 3.839 30 20 BHED CC(C)c1ccc(C=NOCC(F)(F)F)cc1 764846365 GSRKAODUOOILKB-UHFFFAOYSA-N 245.244 3.723 30 20 BHED C=CC[C@H](N[C@@H]1CCCC[C@@H]1C)c1ccncc1 766018178 GEUHSJGYTPXPEI-IMJJTQAJSA-N 244.382 3.867 30 20 BHED C#Cc1cccc(NC[C@@H]2C[C@H]2c2ccccc2)c1 766446506 NPEOLIWFOPHSQT-WMZOPIPTSA-N 247.341 3.884 30 20 BHED CC(CCC1CC1)=NNc1ccc([N+](=O)[O-])cc1 768764439 SZFGEQLOWSKADC-UHFFFAOYSA-N 247.298 3.573 30 20 BHED CC(C)=C(C)C(=O)Nc1ccc(C#N)cc1Cl 769732046 YQCDDQVQDWXPBD-UHFFFAOYSA-N 248.713 3.506 30 20 BHED CCOCCON=C(C)CCC1CCCCC1 774433982 BOPFBBGJWWFYRM-UHFFFAOYSA-N 241.375 3.776 30 20 BHED C[C@H]1CCC[C@H](C=NOCCC(F)(F)F)C1 777459324 ILTMIPHUECWXAR-UWVGGRQHSA-N 237.265 3.768 30 20 BHED CC(C)C(=NN[C@@H]1CCCC1(C)C)C1CC1 782302866 VANWEOQIEDTPPT-GFCCVEGCSA-N 222.376 3.577 30 20 BHED CC1(C)CCC(=NNc2ccc(Cl)nc2)C1 783848053 CGEVRADIOGBWJZ-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C=C[C@](C)(CC)C(=O)Oc1ccc(C)cc1C 786611298 WZAUVBLYCLZQBL-OAHLLOKOSA-N 232.323 3.811 30 20 BHED C/C(=C\Cl)CSCc1ccc(C#N)cc1 797813858 NXGOFDGLDHLXGL-UXBLZVDNSA-N 237.755 3.934 30 20 BHED CC1(C)CCC(=NOC/C=C/Cl)CC1 811672063 PBVVXRVFESGOLR-FPYGCLRLSA-N 215.724 3.712 30 20 BHED C1CC[C@@H]2CC(=NOCC3CC3)CC[C@@H]2C1 814244726 HCSJTHVYWZXURU-QWHCGFSZSA-N 221.344 3.759 30 20 BHED C=CC(C)(C)C(=O)Oc1cccc(C2CC2)c1 822161234 UFEMBULCHBTVQQ-UHFFFAOYSA-N 230.307 3.682 30 20 BHED N#C[C@@H]1CCC[C@H](OC(=O)C2CCCCCC2)C1 839049135 HOJYAFPYHWPGEU-OCCSQVGLSA-N 249.354 3.582 30 20 BHED CCCCCCCC[S@](=O)C1CCC1 840876105 KKIRHUMMJHMOQQ-AWEZNQCLSA-N 216.390 3.648 30 20 BHED CCCCC(C)=NNc1cccc(C(=O)O)c1C 844627201 HIMPYCTYIGBWCW-UHFFFAOYSA-N 248.326 3.671 30 20 BHED C=C[C@H](C)ON=C[C@@H]1CCC[C@@H](C(F)(F)F)C1 853369096 HEBKKQCUBLFEDD-HBNTYKKESA-N 249.276 3.932 30 20 BHED C=C(C)CON=C[C@@H]1CCC[C@H](C(F)(F)F)C1 853370083 YSPYEOZHHYYQSM-MNOVXSKESA-N 249.276 3.934 30 20 BHED C=CCN(C(=O)/C=C(\C)c1cccs1)C(C)C 857576140 CFWJUVCXUKPOCB-ZRDIBKRKSA-N 249.379 3.574 30 20 BHED c1ccc(NN=C2CC[C@H]3CCCC[C@H]3C2)nc1 916274153 ZWWDKRWBBAERAV-OLZOCXBDSA-N 243.354 3.840 30 20 BHED CCCCCCCCCN(C)C(=O)CCC 918396024 AALJHEVMEFXIAZ-UHFFFAOYSA-N 227.392 3.996 30 20 BHED C=CCS[C@H]1CCc2c(F)cccc21 1330774807 RHHVBVYKXWDJQL-LBPRGKRZSA-N 208.301 3.732 30 20 BHED C[C@H](Nc1cccc(OCCCC#N)c1)C1CC1 37777343 VJJDETYBIPEFTJ-LBPRGKRZSA-N 244.338 3.580 30 20 BHED C=C(C)CN[C@@H](C)c1ccccc1Cl 49855292 GAFNEDKWSFKXAO-JTQLQIEISA-N 209.720 3.567 30 20 BHED C=C(C)CN(CC)[C@@H](C)c1cccc(OC)c1 54340012 MKYIWCCBVPKNON-ZDUSSCGKSA-N 233.355 3.654 30 20 BHED C=C(Br)CN(CCCC)CCCC 57753001 ABGXNJKWLMQVJN-UHFFFAOYSA-N 248.208 3.797 30 20 BHED C=CCSCc1cc(-c2ccccc2)on1 114757140 PCOXMNCRDYFEKC-UHFFFAOYSA-N 231.320 3.761 30 20 BHED C[C@@H]1CC[C@H](NCc2ccc(C#N)s2)[C@H](C)C1 135691839 UBKYHFXMWDNCHQ-GYSYKLTISA-N 248.395 3.534 30 20 BHED C=CCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 180558892 ODDRHZWXYJUPCJ-NSHDSACASA-N 247.235 3.595 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 183434180 PZGNMNUAXDIBGH-KCQAQPDRSA-N 249.398 3.696 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cccc(OCC)c1 190777995 PEQWJHAYHDHQEL-OAHLLOKOSA-N 247.338 3.626 30 20 BHED C=C(C)CS[C@H](C)c1cccc(C#N)c1 190804541 HNZIYKXJKUPULT-LLVKDONJSA-N 217.337 3.929 30 20 BHED C[C@@H](NCCCCC#N)c1csc(Cl)c1 191262896 VPFRCSKZAZROJX-SECBINFHSA-N 242.775 3.746 30 20 BHED N#CC1(c2cc3sccc3s2)CC1 205623938 WDHBNKDYAWYKSK-UHFFFAOYSA-N 205.307 3.518 30 20 BHED C[C@H](NC[C@@H]1CCC[C@@H]1C)c1cccc(C#N)c1 230653368 UMTGHVSSSJEXKI-XEZPLFJOSA-N 242.366 3.645 30 20 BHED C#C[C@H](N[C@H](C)CSC(C)(C)C)C(C)(C)C 309555047 JLKWGXPFPCJSFY-NEPJUHHUSA-N 241.444 3.544 30 20 BHED C=C(CC)CNc1ccccc1OC(C)C 309915040 OTZXIODELOLHLO-UHFFFAOYSA-N 219.328 3.852 30 20 BHED C=CCOCCOc1cc(Cl)ccc1Cl 385413484 GXNCZCJGCAZBMR-UHFFFAOYSA-N 247.121 3.575 30 20 BHED C=CCCNc1c(C)cccc1OC(F)F 390524674 GIUVKHOGTSSFTO-UHFFFAOYSA-N 227.254 3.584 30 20 BHED C=CCC[C@H](CC)N[C@@H](C)[C@](C)(OC)C1CC1 414224738 AYZSJOIXWDFHTG-QEJZJMRPSA-N 239.403 3.524 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H](C)CC(C)(C)C 424886570 FAWQCAPVYVEKKA-LLVKDONJSA-N 225.376 3.530 30 20 BHED N#C[C@@H]1CC[C@H](NCCCC2CCCCC2)C1 425354577 NETMKJAKZPZYLL-CABCVRRESA-N 234.387 3.629 30 20 BHED CC(C)c1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 442851562 FHEFJSUBYVTQLK-DOMZBBRYSA-N 228.339 3.914 30 20 BHED CCCOc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 442863084 CBMCJSPYKRIJKZ-OCCSQVGLSA-N 244.338 3.580 30 20 BHED C=CCC1(C(=O)NC2CCCC2)CCCCC1 448563991 ZXDPLWGFAXJITO-UHFFFAOYSA-N 235.371 3.572 30 20 BHED C=CCCCC(=O)N(C(C)C)C1CC(C)(C)C1 457083927 ZTPUNASFKPRCGS-UHFFFAOYSA-N 237.387 3.768 30 20 BHED CC[C@@H](C)CSc1ncc(C#N)cc1Cl 465050380 JLSMDVHIQYOZTG-MRVPVSSYSA-N 240.759 3.745 30 20 BHED C=CCCCC(=O)N(CCCC)CCCC 479542094 NWDQAHWUHVCRBD-UHFFFAOYSA-N 225.376 3.772 30 20 BHED C=CCCCNC(=O)Nc1ccc(/C=C\C)cc1 497394584 WGCLWHOPLYUTGD-DAXSKMNVSA-N 244.338 3.807 30 20 BHED CC(C)N(CCC#N)Cc1ccc(C2CC2)cc1 578039302 QTWUHSHLQJPDGU-UHFFFAOYSA-N 242.366 3.688 30 20 BHED Cc1ccc([C@@H](C)NC[C@H](C)CCC#N)cc1 602517285 FFALQDXKKMMBEI-ZIAGYGMSSA-N 230.355 3.586 30 20 BHED CC(C)(C)CN(CCC#N)CCC1CCCC1 610213428 JKRHDFDUWMSPBF-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C=CC[C@H](C)NC[C@H](C)c1ccc(C)cc1 628216372 LOMORIJXOGEFLG-KBPBESRZSA-N 217.356 3.653 30 20 BHED N#Cc1ccc(NCCCC(F)F)c(Cl)c1 701466932 CTRRFHAYJWXAMU-UHFFFAOYSA-N 244.672 3.669 30 20 BHED CCC(C=NNc1cccc(OC)c1)CC 725853582 OAPHXQSHXVMKFH-UHFFFAOYSA-N 220.316 3.529 30 20 BHED C=C1CCN(C(=O)C[C@@H](C)CCCCC)CC1 742641253 DPHVVNUYOZFBAG-AWEZNQCLSA-N 237.387 3.772 30 20 BHED Cc1cccc(NN=Cc2cccc3[nH]ccc23)c1 755465950 VHYADDZCRVAEIF-UHFFFAOYSA-N 249.317 3.922 30 20 BHED CCCCC=NNCc1cccc(Cl)c1 755770715 OXONPZJDJFFQGJ-UHFFFAOYSA-N 224.735 3.606 30 20 BHED CC(=NNc1cccc(Cl)c1)c1ccoc1 755871562 IHCLBGGZPMJVKM-UHFFFAOYSA-N 234.686 3.769 30 20 BHED CC/C=C(\C)C(=O)OCCCCC(C)(C)C#N 768457562 FPZXUXRHEAPIKG-XYOKQWHBSA-N 237.343 3.606 30 20 BHED CC[C@H](C)NN=C(C)c1ccc(F)cc1Cl 790183463 SDXVVROSVTYGPC-QMMMGPOBSA-N 242.725 3.591 30 20 BHED C[C@@H](NN=Cc1cc(Cl)cs1)C(C)(C)C 793110993 FAMBWXNHJUGIQY-MRVPVSSYSA-N 244.791 3.760 30 20 BHED CC1(C)CCC(C=NOC2CCC2)CC1 812234916 CBUAKPMRGSBSNY-UHFFFAOYSA-N 209.333 3.758 30 20 BHED CCOc1ccc(NN=C(C(C)C)C2CC2)cc1 814984690 FQJIQCVGCBLBJO-UHFFFAOYSA-N 246.354 3.919 30 20 BHED C=CCC1(N[C@@H](C)CC(C)(C)C)CCOCC1 827146010 AVOCUCMACBVFLN-ZDUSSCGKSA-N 239.403 3.526 30 20 BHED C[C@H](NN=C1CCCC12CCC2)C(C)(C)C 834981702 XCHKCDYVHUGDJL-NSHDSACASA-N 222.376 3.721 30 20 BHED C#CCON=C1CC[C@@H](c2cccc(Cl)c2)C1 841639530 SETRQEOSUDOFDK-GFCCVEGCSA-N 247.725 3.613 30 20 BHED C[C@@H](CC(C)(C)C#N)OC(=O)/C=C1/CC[C@@H](C)C1 851209077 ICYZHYRQZIYDSI-LSOFDGFXSA-N 249.354 3.604 30 20 BHED C=CC(C)(C)CC(=O)Oc1cccc2[nH]ccc12 892751741 YYDCYQAGIIZDHY-UHFFFAOYSA-N 243.306 3.676 30 20 BHED C=C1CC(c2noc(C(C)(CC)CC)n2)C1 896884827 VOQMCBDUUWZFMC-UHFFFAOYSA-N 220.316 3.581 30 20 BHED CCCCCCCC(=O)N1CCC[C@H](CC)C1 915078586 NGTJJKGGTZJFML-AWEZNQCLSA-N 239.403 3.996 30 20 BHED C=C[C@H](CC)CC(=O)Nc1ccc(C)cc1OC 930280736 CCWSBLVFJDJKIV-GFCCVEGCSA-N 247.338 3.544 30 20 BHED C=C(C)CCC(=O)N1Cc2ccccc2[C@@H]1CC 1337688092 YGZHSHMTIXVZMS-HNNXBMFYSA-N 243.350 3.836 30 20 BHED C=C(Cl)CN1c2ccccc2CC[C@H]1CC 1559637518 RYSVFEOHRLWMGK-CYBMUJFWSA-N 235.758 3.970 30 20 BHED C[C@@H](Nc1ccc(C#N)cc1)C1CCCCC1 37212116 CGSMTMCZGQLUFP-GFCCVEGCSA-N 228.339 3.939 30 20 BHED C[C@H](Nc1ccc(C#N)cc1)c1ccsc1 50338193 AMXJFLHAGCNXAP-JTQLQIEISA-N 228.320 3.793 30 20 BHED C=CCCCN[C@@H](C)c1cc(C)sc1C 70591986 LEFCOTJKOPAMJO-NSHDSACASA-N 223.385 3.982 30 20 BHED C[C@H]1C[C@H](c2ccccc2F)N(CCCC#N)C1 75900218 VADRZNQMXXOLCW-SWLSCSKDSA-N 246.329 3.512 30 20 BHED N#Cc1cccc(CNCC2CCCCCC2)c1 89559691 DQYLXQKJFIVJHT-UHFFFAOYSA-N 242.366 3.618 30 20 BHED C=CCCCOc1ccc(C#N)c(Cl)c1 91841387 UFMUBPYTBFVONA-UHFFFAOYSA-N 221.687 3.557 30 20 BHED C=CCCC(=O)N(C1CCC(C)CC1)C1CC1 102226335 WYHBFOONXZAQCW-UHFFFAOYSA-N 235.371 3.522 30 20 BHED C=CCNc1ccccc1CCC(F)(F)F 133771440 UNUVWWQVUZLGBW-UHFFFAOYSA-N 229.245 3.779 30 20 BHED CCCCCC[C@H](C)NCc1ccc(C#N)o1 135121612 WONTYNWIYZYFPA-LBPRGKRZSA-N 234.343 3.600 30 20 BHED CC(C)C[C@@H]1CCCN1CC(C)(C)CCC#N 153465571 DQZBXZXTDNTSJW-AWEZNQCLSA-N 236.403 3.827 30 20 BHED CC(C)(C#N)CCCSc1ccccc1C#N 177307201 LENCDDAKCDDRAL-UHFFFAOYSA-N 244.363 3.980 30 20 BHED C=CCC[C@@H](CC)NCC1(SC)CCC1 193807297 SNFJLGXEDQHLBW-GFCCVEGCSA-N 227.417 3.607 30 20 BHED Cc1cc([C@@H](C)NCC(C)(C)CCC#N)c(C)o1 229693965 BBUYQJOQSZEKHI-GFCCVEGCSA-N 248.370 3.877 30 20 BHED C=C[C@](C)(CC)c1nc([C@@H](C)SCC)no1 290198112 XDEOUIGUVZSGSW-BXKDBHETSA-N 240.372 3.737 30 20 BHED C=CC[C@@H](C)Nc1ncnc2sc(CC)cc12 342506957 YBSIJSNBOSQBCT-SECBINFHSA-N 247.367 3.630 30 20 BHED C=C1CCN(Cc2ccc(F)c(Cl)c2)CC1 353326625 CLLJRKZHFXTWNA-UHFFFAOYSA-N 239.721 3.631 30 20 BHED C=CCCC1(C(=O)N2CC3(CCCCC3)C2)CC1 355547047 ZJPVWAGCIGHBOZ-UHFFFAOYSA-N 247.382 3.526 30 20 BHED C=C(C)CCN[C@H]1CCC[C@H](C2CC2)C1 386901006 OTCSFZYVCYAUPQ-KBPBESRZSA-N 207.361 3.511 30 20 BHED C=CC[C@@H](CC)NCc1ccnc2ccccc12 393799801 RPMQCBWJJQJMMJ-CQSZACIVSA-N 240.350 3.679 30 20 BHED C=CCOCCSCCCCC(F)(F)F 419450438 SJGADECHGPUIEL-UHFFFAOYSA-N 242.306 3.655 30 20 BHED CC(C)C[C@H]1CCC[C@@H](N[C@@H]2CC[C@H](C#N)C2)C1 424195371 CTHGNJHZPSBJFF-QKPAOTATSA-N 248.414 3.873 30 20 BHED N#Cc1ccc(CSCCCF)c(Cl)c1 438879228 ZRWUUEZYAMTMAW-UHFFFAOYSA-N 243.734 3.804 30 20 BHED CC#CCS[C@H](C)c1ccccc1OC 463199942 RDLNUDNXSCNTEL-LLVKDONJSA-N 220.337 3.513 30 20 BHED C=CCCC[C@@H](C)NC(=O)C(C)(C)C(C)C 474165392 TYZLCDFMRKXFLB-GFCCVEGCSA-N 225.376 3.530 30 20 BHED Cc1ccc(CCNc2ccc(C#N)cc2)cc1 510928878 DIXFQJOFLNLFDV-UHFFFAOYSA-N 236.318 3.521 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc2occc2c1 530005479 ZKEXNRYCYLYGTA-HNNXBMFYSA-N 243.306 3.974 30 20 BHED CCC(CC)N(CCCC(C)(C)C#N)C1CC1 531105479 DPNICLBHBXECIT-UHFFFAOYSA-N 236.403 3.969 30 20 BHED C=CCCCN(CC1CC1)C1CCCCC1 605150308 FRMKTNNAMSETNX-UHFFFAOYSA-N 221.388 3.997 30 20 BHED C=CCCCSCc1nc(CCCC)no1 609803971 QQVCNDBVHOVYER-UHFFFAOYSA-N 240.372 3.612 30 20 BHED C=CCN(C(=O)C[C@H]1C=CCCC1)C(C)(C)C 622944733 CHZFGEAIKKWRMY-ZDUSSCGKSA-N 235.371 3.546 30 20 BHED C=CC[C@@H](C)NC[C@@H](C)c1ccc(C)cc1 628216375 LOMORIJXOGEFLG-ZIAGYGMSSA-N 217.356 3.653 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cc2ccncc2s1 657903566 HORHZPQFXUATKL-ZJUUUORDSA-N 232.352 3.521 30 20 BHED c1ccc([C@H]2CCCC2=NNC2CCCC2)cc1 732532936 WMAKVZIQXTWNKK-OAHLLOKOSA-N 242.366 3.842 30 20 BHED C=CCOc1ccc(OC(=O)CC(C)(C)C)cc1 742863327 RNSNRQOWWFKFSP-UHFFFAOYSA-N 248.322 3.593 30 20 BHED CCCCCC[C@H](C)NN=Cc1ccc(C)o1 743451062 YVCOPJKCWTZJJM-LBPRGKRZSA-N 236.359 3.870 30 20 BHED CCc1cnccc1C(=O)/C=C\c1ccccc1 766772609 WKHKWRPVCMKXSG-HJWRWDBZSA-N 237.302 3.540 30 20 BHED C#CCCCN(C1CC1)[C@H](C)c1ccccc1 766914332 IYDOZSCUZYUNMJ-CQSZACIVSA-N 227.351 3.625 30 20 BHED CON=Cc1cc(C)n(C2CCCCC2)c1C 767490620 OKTRXHRVNGFXCN-UHFFFAOYSA-N 234.343 3.590 30 20 BHED CCC(CC)CNN=Cc1cscc1Cl 774476586 HJZHBBGHHSFZCQ-UHFFFAOYSA-N 244.791 3.761 30 20 BHED C#CCCCCCC(=O)N(C)c1cccc(C)c1 779904337 FFZIIWOTIRELNK-UHFFFAOYSA-N 243.350 3.542 30 20 BHED CC[C@@H]1CCCCC1=NNc1ccnc(F)c1 781134067 PMDWEJRQSFCHEI-SNVBAGLBSA-N 235.306 3.589 30 20 BHED C=CC[C@H](NC[C@H](C)C(C)(C)C)c1ccncc1 802645328 NGOVONYSLKTKAP-ZFWWWQNUSA-N 246.398 3.971 30 20 BHED CC[C@H]1CCC1=NNc1cccc(Cl)c1 807942683 HDZJSVGQGSTIES-VIFPVBQESA-N 222.719 3.928 30 20 BHED C=CC[C@H](NC[C@H](C)CC(C)C)c1ccncc1 809620921 RAUKBZKHQCSTQW-ZBFHGGJFSA-N 246.398 3.971 30 20 BHED CCCC(=NOC/C=C\Cl)c1ccccc1 811670661 YJWIFLRGIUIKOW-ZENHFNFNSA-N 237.730 3.960 30 20 BHED CSCCON=C[C@@H](C)C1CCCCC1 814921791 BYBWXBSEGKQSLE-LLVKDONJSA-N 229.389 3.568 30 20 BHED c1ccc([C@H]2CCC(=NOC3CCC3)C2)cc1 814936626 CNOCAXSARJIBOX-ZDUSSCGKSA-N 229.323 3.879 30 20 BHED C=CCN(C(=O)C1[C@H]2CCCCCC[C@H]12)C(C)C 826072315 XEFJVTAEDGAZQL-KBPBESRZSA-N 249.398 3.626 30 20 BHED C=C(CC)CN[C@@H](C)c1ccc(C)c(C)c1O 834903012 NIXHAIOAYNQWFP-ZDUSSCGKSA-N 233.355 3.626 30 20 BHED CC(=NOCc1ccccc1)c1ccc(C)cc1 839418215 IRKMIVLBIANVRU-UHFFFAOYSA-N 239.318 3.936 30 20 BHED FC(F)(F)[C@@H]1CCC[C@@H](C=NOCC2CC2)C1 853348939 NHUMTCPJKDRJBL-GHMZBOCLSA-N 249.276 3.768 30 20 BHED CC(C)ON=C[C@H]1CCC[C@@H](C(F)(F)F)C1 853353633 IAKNVINRBWQBSR-VHSXEESVSA-N 237.265 3.766 30 20 BHED CCc1ccccc1NN=C1CCCC1 915051262 BGSNTWMWDCBXKN-UHFFFAOYSA-N 202.301 3.591 30 20 BHED Cc1cccc(F)c1CN[C@H](C)CC(C)(C)C#N 925168718 WMIPTYLQAVQDFC-GFCCVEGCSA-N 248.345 3.552 30 20 BHED CC(C)=CCC[C@H](C)CC=NNc1ccn(C)n1 1321826305 VZMOBHNFMPVDCZ-ZDUSSCGKSA-N 248.374 3.590 30 20 BHED CC(C)C[C@@]1(C)CCCN1C[C@H](C)CCC#N 1474534843 JSOJMEDPNVSPCR-HUUCEWRRSA-N 236.403 3.827 30 20 BHED CCC1CCC(CNc2ncccc2C#N)CC1 37906165 COYBYLFKMZUGNB-UHFFFAOYSA-N 243.354 3.582 30 20 BHED CC(C)CCOc1ccc(C#N)cc1Cl 48484936 HCBPNEIBIFHPLG-UHFFFAOYSA-N 223.703 3.637 30 20 BHED COc1cc(C)ccc1OCCCC(C)(C)C#N 57713562 CFMYYXAVKYFFSI-UHFFFAOYSA-N 247.338 3.712 30 20 BHED C[C@H](c1ccccc1Cl)N1CCC(C#N)CC1 57872758 PKELYFAHTULKPB-LLVKDONJSA-N 248.757 3.637 30 20 BHED Cc1cc2ncn(CCC(C)(C)C#N)c2cc1C 87595753 CBACFVJNXWPFNM-UHFFFAOYSA-N 241.338 3.593 30 20 BHED C=CCCC(=O)Oc1cccc(C(F)(F)F)c1 102213625 SYWJPYHOUBTZGL-UHFFFAOYSA-N 244.212 3.577 30 20 BHED C=CCC[C@@H](C)N[C@@H](C)CCc1ccco1 126723446 VCFJDASXQBTGJV-OLZOCXBDSA-N 221.344 3.545 30 20 BHED C=CCCCNc1ccc(OC(F)F)c(F)c1 157158558 KGRDIUMKLKWFHQ-UHFFFAOYSA-N 245.244 3.805 30 20 BHED CC[C@@H](C#N)OC(=O)CCCC1CCCCC1 176002236 QSOCDMZNVUACDW-ZDUSSCGKSA-N 237.343 3.582 30 20 BHED C=CCCCC(=O)N[C@H](C)[C@H](C)c1ccccc1 176411288 XPRWLJDIAYARIU-UONOGXRCSA-N 245.366 3.651 30 20 BHED C#CCCCN[C@@H]1C[C@@H](C)c2c(C)cccc21 179429368 HGDZXNQJIUNXIJ-UKRRQHHQSA-N 227.351 3.546 30 20 BHED CCN(Cc1ccc(C#N)s1)c1ccccc1 182111971 PGRGSCYTFFYXND-UHFFFAOYSA-N 242.347 3.646 30 20 BHED C=CCC[C@@H](C)N[C@H]1CCCc2c(O)cccc21 191637754 LHZSDYFPYISIKJ-DOMZBBRYSA-N 245.366 3.714 30 20 BHED C#CCCCC(=O)N[C@H]1CCC[C@H]1CCC(C)C 192109329 NSVGCAWUNKKGKU-GJZGRUSLSA-N 249.398 3.511 30 20 BHED Cc1ccc(C(=O)/C=C\c2ccc(C)s2)o1 209436793 NNKKAGQNRMIQRW-SREVYHEPSA-N 232.304 3.854 30 20 BHED C=CC[C@H](C)NCc1ccc(Cl)cc1C 231747439 RNRMHLONJVWIHQ-NSHDSACASA-N 223.747 3.703 30 20 BHED C[C@@H](S)c1cccc(Cl)c1Cl 235303335 YYTVYIIKDQMIRZ-RXMQYKEDSA-N 207.125 3.984 30 20 BHED CC1(C)CCC/C(=C\c2ccsc2)C1=O 255007691 VTTORGMZIMFQSQ-DHZHZOJOSA-N 220.337 3.911 30 20 BHED C=CCCC(=O)Nc1cccc(Cl)c1C 263648321 GBCVHIAFAKTAPG-UHFFFAOYSA-N 223.703 3.553 30 20 BHED C[C@@H](CCC#N)N1CC(C)(C)[C@H]1c1cccs1 298552796 OIPYNECQTVSJKH-WCQYABFASA-N 248.395 3.823 30 20 BHED C=C(CC)CN[C@@](C)(CC)c1nc(C)cs1 336781013 SYYZDPMYFHGNJK-ZDUSSCGKSA-N 238.400 3.633 30 20 BHED CCCCCCCN1CCC[C@@H]1c1ncc[nH]1 371537700 JGEXPDLDTPANBP-CYBMUJFWSA-N 235.375 3.517 30 20 BHED C=CCC[C@@H](NC[C@H]1CCCCS1)C1CC1 381181711 WQGNABLKXLGVSQ-ZIAGYGMSSA-N 239.428 3.607 30 20 BHED CCCC[C@@H](N[C@H](C)CCC#N)C1CCC1 411515156 HLWDJZZXSJGVIP-TZMCWYRMSA-N 222.376 3.627 30 20 BHED CC[C@@H](NCCCC(C)(C)C#N)[C@@H]1CC1(C)C 419326568 YIDLSWPSIBTKOI-QWHCGFSZSA-N 236.403 3.731 30 20 BHED CCC(C)(C)CCN(C)Cc1cccc(C#N)c1 441244652 KPHGYKNJXULUCM-UHFFFAOYSA-N 244.382 3.816 30 20 BHED Cc1cc(CNC2CCCCCC2)ccc1C#N 443984273 IMGDCXPSTYDRAT-UHFFFAOYSA-N 242.366 3.679 30 20 BHED CC#CCCN1CCC[C@@H]1c1cccc(C)c1C 462320084 QJDOGKGBVVUDMN-QGZVFWFLSA-N 241.378 3.854 30 20 BHED C=CCCCCCN(C)CCCc1ccncc1 462321303 MPABQDBXAJTZBY-UHFFFAOYSA-N 246.398 3.692 30 20 BHED C=CCC(CC=C)C(=O)Nc1ccc(CC)cc1 467735996 SPJPYGDRMIBXOB-UHFFFAOYSA-N 243.350 3.956 30 20 BHED C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)CC 470642505 SCBZHNFTNCKEFN-AWEZNQCLSA-N 245.366 3.637 30 20 BHED C=CCN(CCC(=C)C)Cc1ccccc1 509834193 USUQWPFGNDJZCG-UHFFFAOYSA-N 215.340 3.641 30 20 BHED C=CCCC(=O)Nc1cc2c(cc1Cl)CCC2 530019864 JITWNTKTQCWQIS-UHFFFAOYSA-N 249.741 3.733 30 20 BHED C=CCC(C)(C)c1noc(-c2cccc(C)c2)n1 560028713 QTCLLDZQAIVUAJ-UHFFFAOYSA-N 242.322 3.899 30 20 BHED C=CCC1(NC(=O)[C@H]2CCC(C)(C)C2)CCCC1 619110845 JUQIGEOGQXYHOH-ZDUSSCGKSA-N 249.398 3.818 30 20 BHED CCCCCCCCOc1cc(C)c(C)nn1 730441114 KORYVCFDLIYHJF-UHFFFAOYSA-N 236.359 3.833 30 20 BHED C=CCN(CC1CCCCC1)C(=O)C=C(C)C 732643900 JWVUYODONSJQCU-UHFFFAOYSA-N 235.371 3.548 30 20 BHED C=C(C)CCOC(=O)CCCC(C)(C)C 744304218 QLPVHGNFFASJTB-UHFFFAOYSA-N 212.333 3.712 30 20 BHED C1CCCC(=NO[C@H]2CCCCO2)CCC1 755822801 OGJVUPKFEZZOFN-ZDUSSCGKSA-N 225.332 3.630 30 20 BHED CCC[C@@H](C)C(=O)OCCCCC(C)(C)C#N 768598328 PAJBDGRDQPBWDK-GFCCVEGCSA-N 239.359 3.686 30 20 BHED C#CCCCCN[C@H]1c2cc(C)ccc2C[C@@H]1C 779127732 JXZAYTOHSAGNAM-WMLDXEAASA-N 241.378 3.621 30 20 BHED CC[C@H](C)NN=C(C)[C@H](C)c1ccccc1 790182119 BLLKRCARANHTBG-RYUDHWBXSA-N 218.344 3.554 30 20 BHED CC[C@@H](C)NN=C1CCC[C@@H]1CCC(C)C 790186856 CEVOQBZARNMAMQ-CHWSQXEVSA-N 224.392 3.967 30 20 BHED CC[C@@H](C)CON=Cc1cccc2cccnc12 793146682 UJINAFDXOOBPPC-GFCCVEGCSA-N 242.322 3.631 30 20 BHED Cc1cc(OCCSC(C)(C)C)ccc1C#N 801660022 ZXPCSRZXNCJXCW-UHFFFAOYSA-N 249.379 3.777 30 20 BHED CCCC=NNc1cc(Cl)nc(Cl)c1 819828937 VVECKMJZKMIGMG-UHFFFAOYSA-N 232.114 3.586 30 20 BHED C=CC[C@@H]1CCCCC1=NNC1CCCC1 853302240 WIQCZQRKMVRCOT-GFCCVEGCSA-N 220.360 3.641 30 20 BHED CCC[C@@H](CC)C(=O)OCCCC(C)(C)C#N 873420373 JFCJKSBRWJTMNV-GFCCVEGCSA-N 239.359 3.686 30 20 BHED CCCOc1ccc(NC[C@@H](C)CCC#N)cc1 877118402 AFCUAVCLFOKJAJ-ZDUSSCGKSA-N 246.354 3.827 30 20 BHED C=C(Cl)CSCCOc1ccccc1C 913396171 OGEGAPRMCHUDIK-UHFFFAOYSA-N 242.771 3.860 30 20 BHED CCCCC(C)=NNc1nc2ccccc2n1C 915967415 HWKAIVQHEJZGFO-UHFFFAOYSA-N 244.342 3.551 30 20 BHED CC(=NNc1ccc(F)cc1)c1ccc(F)cc1 916268285 WBJAXQBCVCLUFF-UHFFFAOYSA-N 246.260 3.801 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1ccc2[nH]ccc2c1 929761268 OBKHMOXMDYYATI-NSHDSACASA-N 242.322 3.709 30 20 BHED C#CCCCCCC(=O)N[C@H](C)CCC=C(C)C 1328050772 MADZXEOKSSQOEQ-OAHLLOKOSA-N 249.398 3.821 30 20 BHED Cc1ccc(C)c(Oc2ncc(C#N)cc2F)c1 1649212241 NBOPPRDURCBMAP-UHFFFAOYSA-N 242.253 3.502 30 20 BHED C=C(Cl)CN(C)[C@@H]1CCC[C@H]1C(C)(C)C 1654774265 CCPWTACOZUEPGQ-VXGBXAGGSA-N 229.795 3.886 30 20 BHED C[C@H]1CCCC[C@@H]1Nc1ccc(CC#N)cc1 37071279 VPYVEJGSAKOPAR-WFASDCNBSA-N 228.339 3.743 30 20 BHED CC(C)[C@@H](C)Nc1cccc(OCCCC#N)c1 37777363 TZIUXOXSFZLZKC-CYBMUJFWSA-N 246.354 3.826 30 20 BHED C[C@H]1CCC[C@H](N(C)c2ccc(C#N)cc2F)C1 42495274 TZAFOPBXFJKRNX-AAEUAGOBSA-N 246.329 3.712 30 20 BHED C[C@H](Cc1ccsc1)Nc1ccc(C#N)cc1 48553257 AIXNVTOFRKGAPI-LLVKDONJSA-N 242.347 3.663 30 20 BHED CCN(CCCCC#N)Cc1ccccc1C 60332688 ZHIIYLFEPYUPCC-UHFFFAOYSA-N 230.355 3.511 30 20 BHED C=CCN1CCC[C@H]1CC1CCCCC1 60892771 UAMZMMLVOBVXRQ-AWEZNQCLSA-N 207.361 3.607 30 20 BHED N#Cc1ccc(N2CCC3(CCCC3)CC2)cc1 62959418 VGYUVCLNSWODFX-UHFFFAOYSA-N 240.350 3.719 30 20 BHED N#Cc1cccc(NCc2cc(Cl)cs2)c1 86332086 LIXCBYZYPFJKKO-UHFFFAOYSA-N 248.738 3.885 30 20 BHED Cc1ccc(NCCCC(C)(C)C#N)cc1F 87597171 KLUYNGKQRZGHIX-UHFFFAOYSA-N 234.318 3.876 30 20 BHED C=CC[C@H](C)NC(=O)[C@@H](CC)CC1CCCC1 116855081 METULEWCWQTKSP-JSGCOSHPSA-N 237.387 3.674 30 20 BHED CC(C)(C)[C@H]1CCN(c2ccc(C#N)cc2F)C1 128449476 ANTOEPCORCZZPI-LBPRGKRZSA-N 246.329 3.570 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cccc(C)c1C 129650570 YLLOTHOQSZIXPK-GXTWGEPZSA-N 217.356 3.919 30 20 BHED C=C(CC)CN1C(=O)c2cccc3cccc1c23 163647216 IFZVDWIHTHUHQS-UHFFFAOYSA-N 237.302 3.766 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cccc(C)c1 189752569 YUWLZBFKJHMHIS-AWEZNQCLSA-N 217.312 3.536 30 20 BHED C=CCC1(C(=O)N(C)c2ccc(C)cc2)CCC1 190966930 DNZRGTPJMUEFMV-UHFFFAOYSA-N 243.350 3.704 30 20 BHED C[C@H](Cc1cccs1)Nc1cccc(C#N)c1 231829671 HDWLPOZKWSHECR-LLVKDONJSA-N 242.347 3.663 30 20 BHED CCC(CC)SCCCSCC#N 336668188 ZTYQAAGTJRLHPY-UHFFFAOYSA-N 217.403 3.555 30 20 BHED C=CC[C@H](C)N[C@H](c1ccc(C)o1)C1CCC1 349506036 USVXNVIOAJOZNT-NHYWBVRUSA-N 233.355 3.983 30 20 BHED CC1(C)CC[C@H](Nc2ncc(C#N)cc2Cl)C1 351500802 GGPCNIHMVZZZGS-JTQLQIEISA-N 249.745 3.597 30 20 BHED C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 356806917 MLKGEACOWSEJJG-HZSPNIEDSA-N 249.398 3.674 30 20 BHED C=CC[C@H](CC)N[C@H](C)C1CCCCC1 379999012 LOBPQRYXEAZEAY-OCCSQVGLSA-N 209.377 3.900 30 20 BHED C#CCCSc1cc(C)c2ccccc2n1 390680031 XBODETNXYVRKJX-UHFFFAOYSA-N 227.332 3.659 30 20 BHED C[C@@H]1CCC[C@H]1NCCC1(C#N)CCCCC1 411649433 PSLLHDOOMZTOCB-ZIAGYGMSSA-N 234.387 3.629 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 449568708 CPZGWJSSUGPRDV-BFHYXJOUSA-N 247.386 3.613 30 20 BHED Cc1cc(C)cc([C@@H](C)NCC2(C#N)CCC2)c1 450683891 RBILYOYRYXFFBE-CQSZACIVSA-N 242.366 3.648 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 468010816 BVOFTVDRZGEPJK-TTZDDIAXSA-N 249.398 3.674 30 20 BHED C=CCOc1ccc(OCC2CC2)c(Cl)c1 549061703 VCESDMOFPWKVJI-UHFFFAOYSA-N 238.714 3.694 30 20 BHED C=CCCOc1cnccc1-c1ccccc1 555406818 BSCDQXPLTBFHCY-UHFFFAOYSA-N 225.291 3.704 30 20 BHED CC#CCCSC[C@H](CC)CC(F)F 596393809 KEASMKAOJLTBSZ-SNVBAGLBSA-N 220.328 3.814 30 20 BHED C=CCCC[C@H](C)N[C@@H]1CCCc2ncccc21 631606329 ICPBDMBMVYUIJN-XJKSGUPXSA-N 244.382 3.793 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1CCC(F)(F)C1 648482874 UPBOIYPTMORQII-NWDGAFQWSA-N 231.330 3.899 30 20 BHED N#CCc1ccc(N[C@H]2CCC23CCCC3)cc1 694353401 VRPJBMVOYZAEFG-HNNXBMFYSA-N 240.350 3.887 30 20 BHED CC(=NNC1CCCC1)c1cc(C)ccc1C 727652574 SQCBZZBEWGDUFZ-UHFFFAOYSA-N 230.355 3.560 30 20 BHED Cc1ccccc1C=NNc1ccc(F)cc1C 750938969 RQIPYLPXNUHMGD-UHFFFAOYSA-N 242.297 3.889 30 20 BHED CC(C)C=NNc1ccc(C(F)(F)F)cc1 755805825 WLNWBQICOLGRIE-UHFFFAOYSA-N 230.233 3.759 30 20 BHED C=C(C)CSc1ccc(OCC)cc1 761075111 XPWQCBSCRBOYHZ-UHFFFAOYSA-N 208.326 3.754 30 20 BHED CC(CCC1CC1)=NNc1ccccc1[N+](=O)[O-] 768765095 ZBCZATOODLDVAW-UHFFFAOYSA-N 247.298 3.573 30 20 BHED Cc1cc(C=NN[C@@H]2CCCCC2(C)C)c(C)o1 773126093 RQEQVLHNFNEPIP-CQSZACIVSA-N 248.370 3.789 30 20 BHED Clc1sccc1C=NNc1ccccc1 790136617 OJORBNYLZLASLZ-UHFFFAOYSA-N 236.727 3.848 30 20 BHED CCC(CC)NN=Cc1ccc2occc2c1 794909061 PZWBLTRRPRECSG-UHFFFAOYSA-N 230.311 3.545 30 20 BHED CC(C)[C@H]1CCCC(=NNc2cccc(F)n2)C1 795008543 KSTLARWWYQKHLY-NSHDSACASA-N 249.333 3.835 30 20 BHED C=CCCCCCCCN[C@@H](C)[C@@H]1CCOC1 810243996 WPTBTQBYSAUGFD-LSDHHAIUSA-N 239.403 3.528 30 20 BHED CC[C@H](C)CON=C1CC[C@H]1C1CCC1 814939497 SJIYSJCLWBDFCI-JQWIXIFHSA-N 209.333 3.615 30 20 BHED CCC(CC)=NNc1ccc(F)c(F)c1F 814945280 UFZPBHVGSMOUMX-UHFFFAOYSA-N 230.233 3.692 30 20 BHED C[C@@H](CNC1CCC(C)(C#N)CC1)C(C)(C)C 823876709 RMAIIDVULCXMJY-OPFPJEHXSA-N 236.403 3.731 30 20 BHED C=C[C@@H]1CCCCN1C[C@@]1(C)CC1(Cl)Cl 829312559 CLTXCMBJGQNGLT-GHMZBOCLSA-N 248.197 3.611 30 20 BHED CCCCCCCCCS(=O)(=O)C1CCC1 834444660 LGJIMSBUCFZHCJ-UHFFFAOYSA-N 246.416 3.704 30 20 BHED CCC(C)=NNc1c(C)cccc1Cl 835010857 JVUAKZMVJRGHFN-UHFFFAOYSA-N 210.708 3.846 30 20 BHED CC[C@H](C)[C@H](CC)OC(=O)CCCCCC#N 835586305 ACXMYVMHIAPICS-STQMWFEESA-N 239.359 3.828 30 20 BHED C=CCN(C(=O)CCCCCC)C(C)(C)C 857651333 YFRSPYIFYKEOKO-UHFFFAOYSA-N 225.376 3.770 30 20 BHED C[C@H]1CCCC(=NNc2ncccc2Cl)C1 917549213 KOTQBRZVBHFEPE-VIFPVBQESA-N 237.734 3.713 30 20 BHED CCCCCCC[C@H](C)CNC(=O)NC(C)C 917669374 PPEIKBQSRDNSAB-ZDUSSCGKSA-N 242.407 3.691 30 20 BHED C[C@@H](CCC#N)CNC(C)(C)C1CCCCC1 1333000255 MYBKJJOILIUHPL-ZDUSSCGKSA-N 236.403 3.875 30 20 BHED C=CCCCCSc1ccc(C(=O)O)cc1 1588802364 IOTZYWYUAULBRA-UHFFFAOYSA-N 236.336 3.833 30 20 BHED CC[C@@H](Nc1ncc(Cl)c(C)c1C#N)C1CC1 1655679576 CSXHCQJTBOPGHS-GFCCVEGCSA-N 249.745 3.516 30 20 BHED CC(C)(C#N)CCCOc1ccccc1F 57713430 SJLYHQSFAGRENC-UHFFFAOYSA-N 221.275 3.534 30 20 BHED C#CCCN[C@@H](CC(C)(C)C)c1ccccc1 70246081 HFQKSGJWXNUPGN-HNNXBMFYSA-N 229.367 3.777 30 20 BHED CC[C@@H](Nc1cccc(C#N)n1)c1ccccc1 80118626 FBZZWNBKZOQNKC-CQSZACIVSA-N 237.306 3.516 30 20 BHED C=C(C)COc1ccc(Oc2ccccn2)cc1 89508227 XOWWGHIVDMEKKO-UHFFFAOYSA-N 241.290 3.829 30 20 BHED C[C@@H]1CCCC[C@@H]1CNCc1cc(C#N)cs1 93492540 LDQOGXXDEOQJRU-DGCLKSJQSA-N 248.395 3.536 30 20 BHED CC[C@H](NCCCC#N)c1ccc(Cl)cc1 120261136 XOSMQALXEKVUKC-ZDUSSCGKSA-N 236.746 3.684 30 20 BHED N#Cc1cccc(NCCC2CCCCC2)c1 125024697 PWUFHYRQSWRQLN-UHFFFAOYSA-N 228.339 3.941 30 20 BHED C#CCCCCN[C@@H]1CCC[C@H](C(F)(F)F)C1 130190517 ARRJFDJQCQTPJM-NWDGAFQWSA-N 247.304 3.501 30 20 BHED Cc1cc(C)cc(NCc2ccc(C#N)s2)c1 135683611 QOMNUEAULYZDRP-UHFFFAOYSA-N 242.347 3.849 30 20 BHED C=CC[C@@H](C)N[C@@H](C)CCCC(F)(F)F 166697317 WJWGQODUIBZSNL-ZJUUUORDSA-N 223.282 3.662 30 20 BHED C=CCCCC(=O)N(CC=C)c1ccccc1 175639901 DTANQJOCSAAMAF-UHFFFAOYSA-N 229.323 3.562 30 20 BHED C[C@H]1[C@H](C)CCC[C@H]1NCc1cc(C#N)cs1 246270336 VTIXWKTXODRFRI-UHIISALHSA-N 248.395 3.534 30 20 BHED C=CCCCCNC[C@@H](C)c1ccccc1 309359088 YYNAWPNOEJPGDN-CQSZACIVSA-N 217.356 3.736 30 20 BHED Cc1c(Cl)cccc1N[C@@H]1CC[C@H](C#N)C1 309611753 AINDVCMRRYQEDO-WDEREUQCSA-N 234.730 3.753 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1ccccc1OC 310821062 HLEVHFNLUDGUDQ-ZDUSSCGKSA-N 247.382 3.948 30 20 BHED C=C(C)CSCc1ccc(C(F)(F)F)cn1 340620593 PXMNSSUUBUKKTP-UHFFFAOYSA-N 247.285 3.910 30 20 BHED CC(C)(CCC#N)CN[C@@H]1CC[C@H]2CCC[C@@H]2C1 344347942 HVYFLCXFVZHIQE-RBSFLKMASA-N 248.414 3.875 30 20 BHED C[C@@H](CC1CC1)N[C@H](C)c1ccc(C#N)c(F)c1 346166165 FDABRBXMXCOFAL-WDEREUQCSA-N 246.329 3.537 30 20 BHED C=CC[C@@H](CC)NCc1cscc1Cl 379547010 XPXMROKCPOOMHN-SNVBAGLBSA-N 229.776 3.846 30 20 BHED CCCC[C@@H](C)N(C)Cc1ccc(C#N)cc1F 381182193 RTVYSGBCHPBCJM-GFCCVEGCSA-N 248.345 3.708 30 20 BHED C=C(C)CN[C@H](c1ccc(F)cc1)C(C)C 390373304 WPOKLTXLYYTJNE-AWEZNQCLSA-N 221.319 3.689 30 20 BHED Cc1ccc(NCc2ccc(CC#N)cc2)cc1 399102939 GZPMNXZCFGMEHM-UHFFFAOYSA-N 236.318 3.673 30 20 BHED C=CC(C)(C)CNC(=O)CC1CCC(C)CC1 452774117 KHRBQSIKJQZVEH-UHFFFAOYSA-N 237.387 3.531 30 20 BHED CC(C)=CCC[C@@H](C)NCC(C)(C)CC#N 459732829 PNVVPODOAHRINA-CYBMUJFWSA-N 222.376 3.651 30 20 BHED CC#CCSCc1csc(CCCC)n1 464089170 ASECGZHQVUPUEL-UHFFFAOYSA-N 239.409 3.742 30 20 BHED CC#CCSCc1cc(-c2cccs2)on1 464094294 SHGJSGJMDMXKSU-UHFFFAOYSA-N 249.360 3.660 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C 468008379 ZYUJMKUUYDOJCV-QVHKTLOISA-N 237.387 3.530 30 20 BHED C=CCC[C@@H](CCC)NCCc1cccc(C)n1 475272895 CLBUJZIPWFTARO-OAHLLOKOSA-N 246.398 3.657 30 20 BHED C=C(C)CCN[C@H]1CCC[C@@H]1c1ccccc1 510783639 ZRQSYHMQYGOPTP-CVEARBPZSA-N 229.367 3.879 30 20 BHED C=C(C)CN[C@@H](c1ccc(F)c(C)c1)C1CC1 553284053 LWWRBDQBVZVLGY-OAHLLOKOSA-N 233.330 3.751 30 20 BHED C=CCCCCSCCc1cncs1 563622090 NGDDMDIIIBCZPK-UHFFFAOYSA-N 227.398 3.775 30 20 BHED CN(CC1(CC#N)CC1)C(C)(C)c1ccccc1 602827076 NXNZAMCDMSVGMD-UHFFFAOYSA-N 242.366 3.547 30 20 BHED C=CCCCN1CCC[C@H]1c1cccc(F)c1 605149988 BQBWAKXSSXKFJU-HNNXBMFYSA-N 233.330 3.929 30 20 BHED C=CCCC[C@H](C)NCc1nc2ccccc2o1 638836866 LFYJBFPSUVFAJF-LBPRGKRZSA-N 244.338 3.662 30 20 BHED C=C(C)CCN(C1CCCCC1)C1CC1 681399122 NMQLTVJAOWKMAL-UHFFFAOYSA-N 207.361 3.750 30 20 BHED CCCCCCCCN1CCC[C@H](COC)C1 740877650 VFTUBZWLDABPSW-HNNXBMFYSA-N 241.419 3.705 30 20 BHED C=C(Cl)CN(C(C)C)C1CCCCC1 749066122 DVKKAWSHOOJYKV-UHFFFAOYSA-N 215.768 3.782 30 20 BHED Cc1cccc(C)c1C=NOCc1ccccc1 755632068 MAEYWTOCUOPXIS-UHFFFAOYSA-N 239.318 3.854 30 20 BHED COc1ccc(C=NNc2ccc(C)cc2)s1 763105567 MPCVSRCBDUNUSO-UHFFFAOYSA-N 246.335 3.511 30 20 BHED C#CCCCN[C@@H](c1ccc(F)cc1)C(C)C 766903975 AUXPUFASJSSOLN-OAHLLOKOSA-N 233.330 3.526 30 20 BHED CC(C)(C#N)CCCON=Cc1cccc(F)c1 771180112 KZKUJFPXGYZCHF-UHFFFAOYSA-N 248.301 3.506 30 20 BHED CC(C)[C@@H]1CCCC1=NN[C@H]1C[C@H]2CC[C@H]1C2 774593844 SISBKQWVOVOIBI-ABHRYQDASA-N 234.387 3.577 30 20 BHED CCOc1cccc(/C=N\CCC=C(C)C)c1O 790101046 LTIZFNYIDUYKPR-WJDWOHSUSA-N 247.338 3.566 30 20 BHED CC[C@@H](C)NN=C[C@@H]1CCCC(C)(C)C1 790189894 RXLYYXXNVHZCFS-VXGBXAGGSA-N 210.365 3.577 30 20 BHED C[C@]1(C=NNc2ccccc2F)CCCS1 792957642 DTRDYOBJFLNOPG-GFCCVEGCSA-N 238.331 3.509 30 20 BHED CCc1ccc(C(C)=NOC[C@H](C)CC)o1 793159315 NADDNQAQEGFDPP-SNVBAGLBSA-N 223.316 3.629 30 20 BHED Cl/C=C\CON=C1CCC[C@@H](C2CC2)C1 811672321 WJAHDGDPOLYOOA-WXEKDAJOSA-N 227.735 3.712 30 20 BHED C[C@@H]1CCC(=NNc2cccc(Cl)c2)C1 814693572 YLWRMLJEDZCCLN-SECBINFHSA-N 222.719 3.928 30 20 BHED CC(C)CC=NNc1cc(Cl)nc(Cl)c1 819832864 UWHAEVJNUUAQJU-UHFFFAOYSA-N 246.141 3.832 30 20 BHED CCc1ccccc1NN=Cc1cc(C)[nH]c1C 915051607 JKKWWCCLQYPOBA-UHFFFAOYSA-N 241.338 3.640 30 20 BHED C#CCCN[C@@H](c1ccc(CCC)cc1)C(C)C 920415737 GUWLVDLCUAQQFS-QGZVFWFLSA-N 243.394 3.949 30 20 BHED CC(C)N(CCCCC1(C#N)CCC1)C1CC1 929272353 YRHNXSGEGNNGCO-UHFFFAOYSA-N 234.387 3.723 30 20 BHED C#C[C@@H](C)NCC1CCC(c2ccccc2)CC1 1117587475 VJTTWCZFVIVLTD-HPUBIQBYSA-N 241.378 3.572 30 20 BHED CCCC(=NNCC(C)C)C1CCCC1 1326637346 OJQUOHHQOYCFPK-UHFFFAOYSA-N 210.365 3.578 30 20 BHED C=C(Cl)CN1CCc2ccccc2[C@H]1C(C)C 1615862101 WDSTXXQKBKHZOG-OAHLLOKOSA-N 249.785 3.994 30 20 BHED Cc1ccccc1CN(C)c1ccc(C#N)cc1 42227415 VLYJWRDOTMOAAV-UHFFFAOYSA-N 236.318 3.503 30 20 BHED C=CCN(C)[C@H](C)c1ccc(Cl)cc1 45007420 MBBXYIUQDHNMII-SNVBAGLBSA-N 209.720 3.519 30 20 BHED CC(C)(C#N)Cc1ccc(Br)cc1 49804139 HGMYETSWBZWBPL-UHFFFAOYSA-N 238.128 3.541 30 20 BHED CC(C)c1cccc(N(C)CCCC#N)c1 63590035 DVTCWIKBZXTVQW-UHFFFAOYSA-N 216.328 3.550 30 20 BHED C=CCCNc1ccc(Br)cc1F 70591300 NGVMZPYGMCBSJI-UHFFFAOYSA-N 244.107 3.576 30 20 BHED Cc1cccc(NCc2cc(C#N)cs2)c1C 93492437 YEODNVDQBAWKCM-UHFFFAOYSA-N 242.347 3.849 30 20 BHED CCCCCCCCNCC1(O)CCCCC1 114850699 NDIZDVQDVHJOJP-UHFFFAOYSA-N 241.419 3.632 30 20 BHED C=CCN(Cc1ccoc1)C1CCCCC1 124934909 HWTPQFVTYNYQSC-UHFFFAOYSA-N 219.328 3.600 30 20 BHED C=C[C@H](C)N[C@@H](CC)c1ccc(CC)cc1 157250310 AUXOFFNUNDUMAH-WFASDCNBSA-N 217.356 3.864 30 20 BHED C=CCCN[C@@H](CCC)c1ccccc1 162158218 KSKOOPBVMIDVNP-AWEZNQCLSA-N 203.329 3.694 30 20 BHED C[C@H]1CC(C)(C)C[C@@H]1Nc1cccc(C#N)c1 235547597 GZNTVFWPPIHMLR-FZMZJTMJSA-N 228.339 3.795 30 20 BHED C[C@H](CC1CCCCC1)Nc1ccc(C#N)cn1 302827958 BROWTMCUZZYQDK-GFCCVEGCSA-N 243.354 3.724 30 20 BHED CSc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 336585020 QMFFQAIMYDSXQZ-JQWIXIFHSA-N 232.352 3.513 30 20 BHED C[C@@H](N(C)CCCCC(C)(C)C#N)C1(C)CC1 336706600 JKDQZSQFUIVCIF-CYBMUJFWSA-N 236.403 3.827 30 20 BHED CCCCCCCN[C@@H](C)[C@]1(C)CCCO1 393910977 BXZXITGACDQVHH-KBPBESRZSA-N 227.392 3.504 30 20 BHED C[C@H]1CCCC[C@@H]1CNc1ccc(CC#N)cc1 394849597 HDZRRYHPCPFTCP-DZGCQCFKSA-N 242.366 3.991 30 20 BHED CC(C)[C@@H](NCCC#N)c1ccccc1Cl 411473880 WLQMNEAZAWRQDK-CYBMUJFWSA-N 236.746 3.540 30 20 BHED CC(C)Oc1cccc(CSCCC#N)c1 413008950 ATBMSZVAHGPMIS-UHFFFAOYSA-N 235.352 3.621 30 20 BHED C=C(CC)CSCCC1(OC)CCC1 419439966 KGQMSWRSHDHHMA-UHFFFAOYSA-N 214.374 3.645 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccc(SC)cc1 424567212 SFWLDAOGAPDDEV-UHFFFAOYSA-N 249.379 3.949 30 20 BHED CC(C)(C)[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)CC1 429678636 GGSKMRILFRYIAP-ZNMIVQPWSA-N 248.414 3.827 30 20 BHED CC(C)(C)CSCc1ccc(F)c(C#N)c1 440589160 DMKVAIIDSVFNRM-UHFFFAOYSA-N 237.343 3.977 30 20 BHED C=C(C)CCN[C@H]1CCc2c(C)cccc21 453331174 ZPDQOCOLUXSDBG-HNNXBMFYSA-N 215.340 3.538 30 20 BHED CC[C@@H](C)CN(C)c1c(Cl)cccc1C#N 462831310 GZEPAIIXLBOXEI-SNVBAGLBSA-N 236.746 3.694 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CCCC2(CCCC2)C1 474642334 WMXAAJLTKBPNJM-HNNXBMFYSA-N 249.398 3.772 30 20 BHED C=C(C)CN(CC(C)C)c1ccccc1 505790618 NZIQWYFPJJRSLB-UHFFFAOYSA-N 203.329 3.725 30 20 BHED C=CCOCCSc1cc(Cl)ccc1F 558851542 ZXZUXYFPABGESV-UHFFFAOYSA-N 246.734 3.774 30 20 BHED C=CCCCCCN(C)CCC1(OC)CCC1 559106433 QZLMJGIONSHRBD-UHFFFAOYSA-N 239.403 3.624 30 20 BHED Cc1sccc1CN1CCC(CCC#N)CC1 592517312 AXMLFKWUYYKRQV-UHFFFAOYSA-N 248.395 3.572 30 20 BHED CC[C@@H]1CCC[C@@H](CN2CCC[C@H](CC#N)C2)C1 597176702 JJDRNQPGDNTPLY-BZUAXINKSA-N 248.414 3.828 30 20 BHED C[C@@H](CCC#N)CN(C)C1CCC(C)(C)CC1 602473180 JYMADWIEYOXUCF-ZDUSSCGKSA-N 236.403 3.827 30 20 BHED C=CCCC(=O)N(c1cccc(F)c1)C(C)C 622971897 IJZYHIKJYJERHY-UHFFFAOYSA-N 235.302 3.533 30 20 BHED CC(Cc1cccs1)=NOCc1ccccc1 729635448 UWOKVHIRTLPXIM-UHFFFAOYSA-N 245.347 3.883 30 20 BHED C=CCCC(=O)O[C@@H](CCC)CCCC 730302744 GOMHZUCHECZRDV-LBPRGKRZSA-N 212.333 3.855 30 20 BHED CC[C@H](C)C[C@@H](C)/N=C/c1c(O)cccc1OC 743042516 LTFMVHZIMIPDBY-AWOYWQDDSA-N 249.354 3.644 30 20 BHED C[C@@H]1CCC[C@H](C=NNCc2ccccc2)C1 768354876 KYPIYMILXNMOES-HIFRSBDPSA-N 230.355 3.588 30 20 BHED CC(=NNc1c(C)cccc1F)c1ccoc1 769828914 YMVNIRMAVGCWJL-UHFFFAOYSA-N 232.258 3.563 30 20 BHED CCCCCC(CCCCC)NC(=O)CC#N 773666295 LHRSFVSJCYZMAZ-UHFFFAOYSA-N 238.375 3.545 30 20 BHED C=C[C@@H]1CCCCN1Cc1cc(C)c(C)cc1O 787309134 HXNZQNPTOCYFJW-OAHLLOKOSA-N 245.366 3.550 30 20 BHED C[C@@H](C=Nn1cnc2ccccc21)C(C)(C)C 800809200 FJTBVGONMJMFQQ-NSHDSACASA-N 229.327 3.552 30 20 BHED C[C@H](C=NNc1cc(Cl)ccn1)C(C)(C)C 800815515 CAUDZNINUIGSNS-SECBINFHSA-N 239.750 3.815 30 20 BHED CC(C)CON=C[C@@H](C)c1cc(F)cc(F)c1 834966953 VYDGCVNFYIYKHK-SNVBAGLBSA-N 241.281 3.727 30 20 BHED C=CCN(Cc1cccc2ncccc12)C(C)C 876600472 RMPJNMGEDHPGHF-UHFFFAOYSA-N 240.350 3.631 30 20 BHED C[C@H](CCC#N)CNC1(C2CCCCC2)CC1 898461356 ABJQVFMTTPKLLY-CYBMUJFWSA-N 234.387 3.629 30 20 BHED Cc1cccc(NN=Cc2cccs2)c1 916256166 OBBBONOBWYZIOZ-UHFFFAOYSA-N 216.309 3.503 30 20 BHED CCN(CC[C@@H]1C[C@@H](C)C[C@@H](C)C1)[C@H](C)C#N 1174855195 ZDDYHHURAJDABU-BARDWOONSA-N 236.403 3.683 30 20 BHED CC(C)(C)CCCN1CCc2ccc(C#N)cc21 1559719978 DPEQFPBMCUJTIH-UHFFFAOYSA-N 242.366 3.747 30 20 BHED C[C@H]1CCC[C@@H](CSc2ccc(C#N)cn2)C1 1640846437 DVNFHCFUDAMBKJ-NWDGAFQWSA-N 246.379 3.872 30 20 BHED C=C(C)CNc1ccc(C(C)(C)C)cc1 41572002 OKLVIZZRTGLPJW-UHFFFAOYSA-N 203.329 3.972 30 20 BHED CC[C@H](NCCCCC#N)C1CCCCC1 52338327 BKEUAEHOSPHHJC-AWEZNQCLSA-N 222.376 3.629 30 20 BHED C[C@H]1CCCC[C@H]1N(C)CCCC(C)(C)C#N 87608629 AJDPELFNPHZSKA-UONOGXRCSA-N 236.403 3.827 30 20 BHED CC[C@H](C)Sc1cccc(F)c1C#N 88362496 PACFLGGJNPUZAW-QMMMGPOBSA-N 209.289 3.588 30 20 BHED CCCCCCC[C@H](C)NCc1cc(C)on1 105985084 DWZFELGOTGKVAR-LBPRGKRZSA-N 238.375 3.822 30 20 BHED Cc1ccc(C)c(N(C)CCC(C)(C)C#N)c1 157745281 DUTDQRSUJNKKRE-UHFFFAOYSA-N 230.355 3.680 30 20 BHED C[C@@H](NCCCC#N)c1ccc2c(c1)CCCC2 162042842 PASPGAMUQPZQET-CYBMUJFWSA-N 242.366 3.520 30 20 BHED C=C(Cl)CSCCc1cccs1 187561754 PTLZUUWQTPZFMT-UHFFFAOYSA-N 218.774 3.776 30 20 BHED C#CCCCN[C@@H]1CCC[C@H](CC(C)C)C1 232622201 NEYGCAGIBHFZOH-HUUCEWRRSA-N 221.388 3.594 30 20 BHED CCCN(Cc1ccccc1)[C@H]1CC[C@H](C#N)C1 297775925 GKGVQSLQTPVITG-HOTGVXAUSA-N 242.366 3.591 30 20 BHED CC(C)C[C@@H]1CCN(c2ccc(C#N)cc2F)C1 301439012 UGOPLSYIIPFFNZ-ZDUSSCGKSA-N 246.329 3.570 30 20 BHED C=CCCCCCCNCc1ccsc1 308776148 AKINOUWXVMCEGG-UHFFFAOYSA-N 223.385 3.974 30 20 BHED C=CCCc1nc([C@H]2CCCC(C)(C)C2)no1 339801742 UIACDDDJMRKCHM-NSHDSACASA-N 234.343 3.872 30 20 BHED C=C(C)CCNc1ccc(-c2cncnc2)cc1 345332460 YVZOHQIBCXTFPQ-UHFFFAOYSA-N 239.322 3.522 30 20 BHED C=CC[C@@H](C)NCc1ccc(C(F)(F)F)s1 381469278 MBMWZLQAAOXCRR-MRVPVSSYSA-N 249.301 3.821 30 20 BHED C=CC[C@@H](CC)NCc1ccc(OCC)cc1 393767347 QMMUWZLRJNAJDZ-CQSZACIVSA-N 233.355 3.530 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccc([N+](=O)[O-])cc1 393791299 ZCKOALYSDJVHCN-YPMHNXCESA-N 248.326 3.600 30 20 BHED CCCCCCCN[C@H](C)[C@@]1(C)CCCO1 393910991 BXZXITGACDQVHH-ZIAGYGMSSA-N 227.392 3.504 30 20 BHED C=CCSCc1ncccc1C(F)(F)F 432243032 RDUMFDLXTSJOSK-UHFFFAOYSA-N 233.258 3.520 30 20 BHED CC#CCCN(C)[C@@H](c1ccc(F)cc1)C(C)C 434616630 IJOLCEQBDPENNV-MRXNPFEDSA-N 247.357 3.868 30 20 BHED CCCC[C@H](CCC)CN[C@@H]1CC[C@H](C#N)C1 442762357 DVJRQROIOUYSIT-SOUVJXGZSA-N 236.403 3.875 30 20 BHED COc1ccccc1CS[C@H]1CC[C@@H](C#N)C1 450841549 CMKDPSMLHYYQEF-YPMHNXCESA-N 247.363 3.621 30 20 BHED CC#CCCSCc1ccn(C2CCCC2)n1 462373945 ZUOOUINRKOSYLZ-UHFFFAOYSA-N 248.395 3.645 30 20 BHED C=CCCCC(=O)NCC[C@@H]1CCCC[C@@H]1C 479616690 JWDPTVIEOIAEDK-KBPBESRZSA-N 237.387 3.675 30 20 BHED C=CCCCCCN1CCS[C@@H](C)CC1 489036455 HYJFLHJMOQSOIW-ZDUSSCGKSA-N 227.417 3.560 30 20 BHED CC(C)(C)CN(CC(C)(C)C)CC1(C#N)CC1 537288228 NTQIRKHMSQSYOT-UHFFFAOYSA-N 236.403 3.684 30 20 BHED C=CC1CCN([C@@H](C)Cc2ccsc2)CC1 541224026 QOBQMWSFIJIWDS-LBPRGKRZSA-N 235.396 3.577 30 20 BHED C=CCOc1cccc(CNC2(C(C)C)CC2)c1 549871705 PYHZMWDBKQGICC-UHFFFAOYSA-N 245.366 3.530 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc(F)c(C)c1 578251195 NRMAKZNQSAACDE-UHFFFAOYSA-N 235.302 3.675 30 20 BHED C=CC[C@H]1CCCC[C@H]1NCCC(C)(F)F 658022713 CXJOXOIYJDLNDE-NWDGAFQWSA-N 231.330 3.756 30 20 BHED C=CCCCN(C)c1ccc(C)c(C)c1 735491325 INRQYDJADDJLJK-UHFFFAOYSA-N 203.329 3.706 30 20 BHED Oc1ccccc1/C=N/[C@@H]1CC[C@@H]2CCC[C@@H]2C1 741843784 MBUPVDAKZHMGET-OZXWAFQPSA-N 243.350 3.780 30 20 BHED C=CC[C@H](C)C(C)=NNc1ccc(OC)cc1 750924254 MHVZLBCWDRWVON-NSHDSACASA-N 232.327 3.695 30 20 BHED C[C@H]1C[C@H]1C=NOc1ccccc1C(F)(F)F 754711904 CYIBRZXGZVIIKL-IUCAKERBSA-N 243.228 3.726 30 20 BHED C[C@H]1CCCC(=NN[C@H](C)C(C)(C)C)C1 793113540 GDJWUNYBOFERER-WDEREUQCSA-N 210.365 3.577 30 20 BHED Cl/C=C/CON=CCC1CCCCC1 814934691 YCEYDOYMKHXNDU-DALBJNHXSA-N 215.724 3.712 30 20 BHED C=CCC1(NCc2ccccc2O)CCCCC1 825024547 QQCNXNOPYOFCPI-UHFFFAOYSA-N 245.366 3.761 30 20 BHED C=CCC1(NC/C=C\Cl)CCCCC1 859745608 MVZITWOPTXZTEW-POHAHGRESA-N 213.752 3.608 30 20 BHED C#CCCCCCCN[C@@H](CC)c1ccncc1 877058753 LYFPQOKOVBOCAX-INIZCTEOSA-N 244.382 3.706 30 20 BHED C=C1CCC(C(=O)Nc2ccsc2C)CC1 893143753 GTXURXMPDHNXKU-UHFFFAOYSA-N 235.352 3.741 30 20 BHED Cc1cccc(NN=CC2CCCCC2)c1 916255407 YUTJQCQVGPJHDW-UHFFFAOYSA-N 216.328 3.973 30 20 BHED Cc1ccc2c(c1)C/C(=C/c1cccs1)C2=O 921264072 ODHJLTGOLODYML-XFXZXTDPSA-N 240.327 3.879 30 20 BHED C=C(C)CCC(=O)Nc1ccc(O)c(C(C)C)c1 1336051933 CEIZLLXHIGVPHZ-UHFFFAOYSA-N 247.338 3.810 30 20 BHED CN(CCC1(C#N)CCCCC1)CC(C)(C)C 1652424002 NRIAQUIVFHOFIO-UHFFFAOYSA-N 236.403 3.828 30 20 BHED CCCC[C@@H](CCC)Nc1ncc(C#N)cc1F 1655220100 WJRVYLNEJNXTEW-GFCCVEGCSA-N 249.333 3.863 30 20 BHED C=CCCNc1cc(Cl)cc(Cl)c1 70591320 MMSZWADYHGDZOM-UHFFFAOYSA-N 216.111 3.981 30 20 BHED CC[C@H]1CCCN(Cc2ccccc2C#N)CC1 79054283 ZIYUDJXIQFLSBR-AWEZNQCLSA-N 242.366 3.570 30 20 BHED CC(C)(C)c1cc(C#N)c2cc(F)ccc2n1 82467629 YKTXHQXZAIVSBM-UHFFFAOYSA-N 228.270 3.543 30 20 BHED CC(C)[C@@H]1CCCN1c1ccc(C#N)c(Cl)c1 83662324 PIHSKSRJCCVPGH-AWEZNQCLSA-N 248.757 3.836 30 20 BHED C=C(C)CSc1ncnc2sc(C)cc12 90201888 NOGSJJDRONBNHS-UHFFFAOYSA-N 236.365 3.668 30 20 BHED C=C[C@@H](N)c1ccc(C(F)(F)F)c(Cl)c1 95643520 QTOKHRSYBLJHQE-SECBINFHSA-N 235.636 3.545 30 20 BHED Cc1ccc(C(=O)/C=C/c2cncs2)cc1C 129890264 JUWLWEMGNVIVPM-AATRIKPKSA-N 243.331 3.656 30 20 BHED C=CCC[C@@H](C)N[C@H](C)COc1ccc(C)cc1 130571121 UNBADASNPXSOAJ-HUUCEWRRSA-N 247.382 3.707 30 20 BHED CC[C@H](SCCC#N)c1ccccc1 156606063 WGCXMWNHGQXERR-LBPRGKRZSA-N 205.326 3.785 30 20 BHED C=C(C)CCNc1ccc(OC(F)(F)F)cc1 164418929 NSKWDBIAENWVIE-UHFFFAOYSA-N 245.244 3.963 30 20 BHED C=C(C)CCNc1ccc(OC)c(Cl)c1 168942871 MPYYBFVZOGDNCI-UHFFFAOYSA-N 225.719 3.727 30 20 BHED CC/C=C(\C)C(=O)O[C@H](C)c1ccc(C#N)cc1 175763492 NYLPXCPDJYMEKM-JXDHDYMSSA-N 243.306 3.519 30 20 BHED C#CCCCCC(=O)N1CCC[C@H]1[C@H](C)CCC 180410387 LFSUBXBUNZTJEU-CABCVRRESA-N 249.398 3.607 30 20 BHED CC(C)(CN[C@H]1CCC[C@H](C#N)C1)C1CCCC1 185870919 BZSODERFRVKFMG-ZFWWWQNUSA-N 248.414 3.875 30 20 BHED C[C@@H](CCNCc1ccc(C#N)o1)CC(C)(C)C 191116823 CLLFOWCQSJIHKM-LBPRGKRZSA-N 248.370 3.703 30 20 BHED C#CCCCCN[C@@H](CC)C[C@H](C)CC 222294447 KRCQNKPWGIOWQN-KGLIPLIRSA-N 209.377 3.594 30 20 BHED CC(C)[C@@H](C)SCc1cccc(C#N)c1 231192736 MYSNBTRIUFSFOU-LLVKDONJSA-N 219.353 3.836 30 20 BHED C=C(Cl)CNC[C@@H](c1ccccc1)C(C)C 232700978 SOVBMWLYLJCHNK-CQSZACIVSA-N 237.774 3.768 30 20 BHED OC(CCC1CCC1)=Nc1cccc2ocnc12 328874924 JODYFBLBNAKVQG-UHFFFAOYSA-N 244.294 3.996 30 20 BHED C=CCC[C@@H](CC)NCCC1(COC)CCC1 340447075 RFHYQATXCTXTPY-CQSZACIVSA-N 239.403 3.528 30 20 BHED CC1(C)CCC(SCC2(C#N)CC2)CC1 344471328 AGFDQOFHTDOGRE-UHFFFAOYSA-N 223.385 3.992 30 20 BHED C=CCCNc1ccc(C)cc1OCCC 390526950 HCPRPYUXJMHMSH-UHFFFAOYSA-N 219.328 3.772 30 20 BHED C=CCC[C@@H](C)NC[C@@H](C)CC(F)(F)F 396913245 JLJIJLGLHCPDPM-VHSXEESVSA-N 223.282 3.519 30 20 BHED N#CC1(CCN2CCCCCC2)CCCCC1 411153729 JGKGSKXITLVMFI-UHFFFAOYSA-N 234.387 3.727 30 20 BHED C[C@@H]1C[C@@H](C)N(CCC2(C#N)CCCCC2)C1 411282913 JWPACTFBMGJRFX-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccncc1Cl 421855341 MIHUCQJMUKAQLT-JTQLQIEISA-N 238.762 3.598 30 20 BHED C=CCCCSCc1cn2ccccc2n1 439546065 VACSOLNKQNUPCG-UHFFFAOYSA-N 232.352 3.534 30 20 BHED C=CCCC[C@@H](C)NC(=O)C1(CC(C)C)CC1 441287132 IWWRZBZXRINWOT-CYBMUJFWSA-N 237.387 3.674 30 20 BHED C=CC(C)(C)C(=O)NC[C@@H](CC)CCCC 448650354 LSVLZRQCUGMQPU-LBPRGKRZSA-N 225.376 3.531 30 20 BHED CCCCC[C@@H]1CCCN1CC1(C#N)CCC1 450502991 UFGOYBRBANSGAE-CQSZACIVSA-N 234.387 3.725 30 20 BHED CC(C)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 472147035 GHYOVYPUKXISEG-GDBMZVCRSA-N 242.366 3.592 30 20 BHED CC1=C(C)CN([C@H](C)c2ccc(C#N)cc2)CC1 483351290 PNSPNSNQHZDZEU-CQSZACIVSA-N 240.350 3.661 30 20 BHED C=CCN(Cc1ccccc1)CC(C)(C)C 507863123 XUKOZZFYWYESQO-UHFFFAOYSA-N 217.356 3.721 30 20 BHED CC[C@H](C)[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 540707350 VSXFBWKZZNWPFU-TUAOUCFPSA-N 248.345 3.783 30 20 BHED Cc1cccc(C)c1[C@H](C)NCCC(C)(C)C#N 546227015 MUSLMIUMMSQBHD-AWEZNQCLSA-N 244.382 3.894 30 20 BHED CC[C@@H](CC#N)NC/C=C\c1ccc(Cl)cc1 555162964 CJZINWKMPZVHRV-NQHOJNORSA-N 248.757 3.635 30 20 BHED C=CC[C@H](C)NCc1ccccc1OCC(C)C 559894853 SNJRTDGACDXDHW-AWEZNQCLSA-N 247.382 3.776 30 20 BHED C=C(C)CN=c1[nH]c(-c2ccc(C)cc2)cs1 589631921 ULLLYIZEBGDZTH-UHFFFAOYSA-N 244.363 3.528 30 20 BHED Cc1cccc([C@@H](C)N2CCC[C@H](CC#N)C2)c1 595617299 YDJOKQKJRIZODT-HUUCEWRRSA-N 242.366 3.682 30 20 BHED C=CCCCCNC(=O)c1ccc(C2CC2)cc1 613594827 CDTQXEJQDHZIGV-UHFFFAOYSA-N 243.350 3.650 30 20 BHED CC1(CN[C@H]2CCC[C@@H](C#N)C2)CCCCC1 618571999 CYOVDFRTHZVXAY-KGLIPLIRSA-N 234.387 3.629 30 20 BHED C=CCC1(C(=O)N[C@H](C)C2CCC2)CCCCC1 649238228 BEMKHFXLWDLMIS-CYBMUJFWSA-N 249.398 3.818 30 20 BHED C=CCCCC[C@@H](C)N[C@H](C)Cc1ccccn1 655835474 YPEZJCWWXADKQR-HUUCEWRRSA-N 246.398 3.737 30 20 BHED C=CCN(C[C@@H](CC)CC(F)F)C(C)(C)C 661757349 GDZIAGCXIQAGIK-NSHDSACASA-N 233.346 3.954 30 20 BHED C=CCCCCN1CC(C)(C)[C@@H]1c1ccncc1 664828570 GWZOELNIAFKQBD-HNNXBMFYSA-N 244.382 3.821 30 20 BHED c1cc(NN=C2CCCC2)c2ccncc2c1 728432398 SMDYPOMTPKUJKD-UHFFFAOYSA-N 225.295 3.577 30 20 BHED C=CCCC(=NNCc1ccccc1)C1CC1 747740156 AYEUUBISNFERAV-UHFFFAOYSA-N 228.339 3.508 30 20 BHED CC(CCc1cccc(C)c1)=NOCC(F)F 758906318 DZYDPFFDDJOUDO-UHFFFAOYSA-N 241.281 3.585 30 20 BHED Clc1cccc(CNN=C2CC3(CCC3)C2)c1 772842866 DHSXEJHHWUBPDU-UHFFFAOYSA-N 248.757 3.750 30 20 BHED CC[C@@H]1CCCC(=NOC2CCCC2)C1 774603453 UBYYQMFZYYHHTO-LLVKDONJSA-N 209.333 3.902 30 20 BHED CCCCCCCCNC(=O)c1coc(C)c1 780964360 PRHBMYAHBFQLRW-UHFFFAOYSA-N 237.343 3.678 30 20 BHED CC(=NNc1c(C)cc(C)cc1C)[C@H]1CCCO1 783848124 AGZCXAQIVFKEFE-CQSZACIVSA-N 246.354 3.579 30 20 BHED C=C[C@@H]1CCCCN1C(=O)/C=C(/C)C(C)(C)C 785856504 IEMAEAQBBYYOPM-YLGBQOPLSA-N 235.371 3.546 30 20 BHED C=C[C@](C)(CC)C(=O)Oc1ccccc1C 786609927 UKUMOQSJERJMNM-CQSZACIVSA-N 218.296 3.503 30 20 BHED FC(F)(F)CCON=C1CCC12CCCC2 788726896 VQELMZMQWLJPAG-UHFFFAOYSA-N 235.249 3.666 30 20 BHED CCC1(C)CCC(=NOCCSC)CC1 794572108 KODWQYNWEXQNOQ-UHFFFAOYSA-N 229.389 3.712 30 20 BHED C=CCNN=C1C[C@@H](C)C[C@H](c2ccccc2)C1 794999626 NVFUKLAXVBMJLA-ZFWWWQNUSA-N 242.366 3.722 30 20 BHED CC(C)C1CCC(=NNc2cccc(F)n2)CC1 795009666 HMGVCHCXPNEHIJ-UHFFFAOYSA-N 249.333 3.835 30 20 BHED CC(C)CON=C1CCC[C@@H](c2cccnc2)C1 799884760 JWXCBOVKBMFBQL-CYBMUJFWSA-N 246.354 3.768 30 20 BHED CC(C)(CCC#N)COC(=O)C1CCC=CCC1 873527614 YHRRGRODZFGQNB-UHFFFAOYSA-N 249.354 3.606 30 20 BHED CC(C)c1nccn1CCCCC1(C#N)CCC1 901530910 WCUMDLLGNQSWCJ-UHFFFAOYSA-N 245.370 3.871 30 20 BHED C=CCC[C@H](c1ccccc1)c1nnc(CC)o1 1261572069 YEAVSUBVPWQVMQ-CYBMUJFWSA-N 242.322 3.730 30 20 BHED CC1CC(CSc2ccccc2C#N)C1 1640926536 KVGGUUIQDBZPLC-UHFFFAOYSA-N 217.337 3.696 30 20 BHED CC(C)CC[C@H]1CCC[C@H]1NCC1(C#N)CCC1 1665027420 LSYMNTCZRSNDSP-HUUCEWRRSA-N 248.414 3.875 30 20 BHED C=CCCNc1cc(NC(=O)C(C)C)ccc1C 77245123 CPGYSHNFHBUNCI-UHFFFAOYSA-N 246.354 3.578 30 20 BHED CCCCCC(C)(C)CNCc1ccc(C#N)o1 122955861 LCPRTCIDMUVZLZ-UHFFFAOYSA-N 248.370 3.847 30 20 BHED C=CCCCCCN(C)C(=O)c1ccccc1C 156859990 HZMATCRFGPIAJQ-UHFFFAOYSA-N 245.366 3.813 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cc(C)c(C)cc1C 157297907 SLMXXWZSKJMELZ-KBPBESRZSA-N 217.356 3.837 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc(OCC)cc1 163322130 OPCHNLYLTBAQEQ-CHWSQXEVSA-N 233.355 3.701 30 20 BHED C=CCCN[C@H](C)c1cccc(C(F)(F)F)c1 163822890 IUOVXWWWWWKXHK-SNVBAGLBSA-N 243.272 3.932 30 20 BHED C=CCCCN[C@H](C)c1ccc(F)cc1F 181584397 WCRUQMYRGSIZIN-SNVBAGLBSA-N 225.282 3.582 30 20 BHED CCSCCSc1cccc(F)c1C#N 302203266 BWKSUZIMTFCZDX-UHFFFAOYSA-N 241.356 3.543 30 20 BHED N#CC1(CSc2ccnc3ccccc23)CC1 336377469 WLPZOTMTVBWCTQ-UHFFFAOYSA-N 240.331 3.631 30 20 BHED CSc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1C 336448074 AASSKMIIYLOBNW-NEPJUHHUSA-N 246.379 3.821 30 20 BHED C=CCC[C@H](NCCC1(C)CC1)C1CC1 336768098 UJYJGBZZUZAVQP-ZDUSSCGKSA-N 207.361 3.511 30 20 BHED C=C1CCN([C@H](C)c2ccccc2F)CC1 342016255 WRTZZQQLRYSNJA-GFCCVEGCSA-N 219.303 3.539 30 20 BHED C=C(C)CCN[C@](C)(CC)c1ccccc1 381367334 HFNSISUQFWMYSM-OAHLLOKOSA-N 217.356 3.868 30 20 BHED CC#CCN[C@@H](C)c1csc2ccccc12 381443710 FJWJVWXRBLTLRP-NSHDSACASA-N 229.348 3.575 30 20 BHED C#CCCCCN[C@@H]1CCCCC12CCCC2 383802613 TYJCVOPHUBPBDL-OAHLLOKOSA-N 233.399 3.883 30 20 BHED CCCCCCCCN[C@@H]1CC[C@H](C#N)C1 390680966 ZSOLOXAQRGGVMS-UONOGXRCSA-N 222.376 3.629 30 20 BHED C=C(C)C(C)(C)C(=O)N1CCCc2ccccc21 425387512 QRXWAJJKLZDXIH-UHFFFAOYSA-N 243.350 3.568 30 20 BHED C=C[C@@H]1CCCCN1Cc1scnc1C1CC1 426570070 HWVWKXYEJBESJO-GFCCVEGCSA-N 248.395 3.561 30 20 BHED CC1(C)CCCCN(Cc2ccc(C#N)s2)C1 438364030 IZKQAFRQGIQBQQ-UHFFFAOYSA-N 248.395 3.632 30 20 BHED CC(C)CC1(CN[C@H]2CC[C@@H](C#N)C2)CCCC1 442783152 PKJRUHYKTHZAMX-CABCVRRESA-N 248.414 3.875 30 20 BHED C=CCCCCCn1ccnc1[C@H](C)OCC 447304540 WKIFGNMILCDHTR-ZDUSSCGKSA-N 236.359 3.727 30 20 BHED C=CCC1(C(=O)N2CCCCC2)CCCCC1 448556069 WRVRZKNQOPWURS-UHFFFAOYSA-N 235.371 3.526 30 20 BHED C=CCCCC[C@@H](C)NCc1ccc(C)nc1 449085873 APNDSNAFJFSUBC-CYBMUJFWSA-N 232.371 3.615 30 20 BHED N#CC1(COc2cc(Cl)ccc2F)CCC1 450844159 KGUHUWQEASNTGJ-UHFFFAOYSA-N 239.677 3.552 30 20 BHED C=CCCCCN[C@@H](C1CCC1)C1CC1 453206845 ZBCZPGVDFGVGHJ-AWEZNQCLSA-N 207.361 3.511 30 20 BHED CC#CCCOc1ccnc2c(Cl)cccc12 506706903 IUVKARVQMSAPHK-UHFFFAOYSA-N 245.709 3.680 30 20 BHED C=C1CCN(CCCc2ccc(C)cc2)CC1 542278866 TYDNJZOLAOMZOE-UHFFFAOYSA-N 229.367 3.580 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CC2(CCC2)[C@@H]1C(C)C 553071074 JHQFZMWIFVADHE-ZFWWWQNUSA-N 249.398 3.626 30 20 BHED C=CCCCC[C@@H](C)NC1CCC(OC)CC1 571272426 GULDMBGAQBNXFN-WLYUNCDWSA-N 239.403 3.669 30 20 BHED C=CCC[C@H](NC[C@@H]1C[C@H]1C)c1ccccc1 576453381 SNALFFWGPDFTIP-KBMXLJTQSA-N 229.367 3.940 30 20 BHED C=CCCCCCN(C)c1ccnc(C(C)C)n1 606895849 UXFFSBQSMXMOQM-UHFFFAOYSA-N 247.386 3.783 30 20 BHED C=CC[C@@H]1CCCN(C(=O)CC(C)(C)CC)C1 617782655 JUKNSCQGHLZCRF-CYBMUJFWSA-N 237.387 3.627 30 20 BHED CCCC(=NNc1cccnn1)C1CCCCC1 735973391 HTTMPOMCHMBTFC-UHFFFAOYSA-N 246.358 3.625 30 20 BHED C=CCCCC(=O)O[C@H](C)c1cccc(F)c1 748224482 BGMKFCDBGOIDKF-LLVKDONJSA-N 236.286 3.786 30 20 BHED CC1(C)CCC(=NOCC(F)(F)F)CC1 764836500 VETXYLRKESEXDS-UHFFFAOYSA-N 223.238 3.522 30 20 BHED C#CCCCN1C[C@H](C)C[C@H]1c1ccccc1F 766903603 TUIZBNYUPPWWDG-CJNGLKHVSA-N 245.341 3.622 30 20 BHED C#CCCCN[C@@H](c1ccccc1)C(C)(C)C 766913389 PPFXZUIELBVMDZ-HNNXBMFYSA-N 229.367 3.777 30 20 BHED CC[C@@H]1CCCC(=NNc2ccnc(F)c2)C1 781133691 GNJXRYLASLKPKD-SNVBAGLBSA-N 235.306 3.589 30 20 BHED CC(C)Oc1ccc(N[C@H]2CC[C@@H]2C)cc1C#N 783661485 VHGNUYMVGNLSHA-FZMZJTMJSA-N 244.338 3.556 30 20 BHED Cc1ccc(NN=C[C@@]2(C)CCCS2)cc1 792871107 DUAGFUSXOYSHKM-CYBMUJFWSA-N 234.368 3.678 30 20 BHED C[C@H](NN=Cc1ccsc1Cl)C(C)(C)C 793111394 GNAPGCQCQKHSRQ-QMMMGPOBSA-N 244.791 3.760 30 20 BHED CCC(=NOCCSC)C1CCCCC1 794573176 VBJRJCCLFSSIJB-UHFFFAOYSA-N 229.389 3.712 30 20 BHED CC[C@H]1CCC[C@H](C=NNc2ncccc2F)C1 794993742 PTBNCVPTIIBTOO-RYUDHWBXSA-N 249.333 3.835 30 20 BHED C#CCN(C(=O)CC[C@@H](C)CC)C1CCCCC1 795784607 RFSFFDNJLWJTSF-AWEZNQCLSA-N 249.398 3.607 30 20 BHED CCc1cccc(C)c1NN=CC(C)(C)COC 799494891 MVKCXQZOTUFRAY-UHFFFAOYSA-N 248.370 3.628 30 20 BHED C#C[C@@H](NCc1cccc(SCC)c1)C(C)C 809685728 NHCSLHGFFYTCEI-OAHLLOKOSA-N 247.407 3.546 30 20 BHED C=CCCCCCCCNC(=O)[C@@H]1CC12CCC2 810767101 ORVPSYCWAXWVSG-AWEZNQCLSA-N 249.398 3.819 30 20 BHED Cl/C=C\CON=Cc1ccc2occc2c1 811669910 WJSYGXSWGGQGGS-SAVMBZNHSA-N 235.670 3.536 30 20 BHED CC1(CCOC(=O)CC2(C#N)CCCCC2)CC1 850989779 FMZYPZIIMLYLLP-UHFFFAOYSA-N 249.354 3.584 30 20 BHED C[C@H]1CC[C@@H](C=NNc2ccnc(Cl)c2)C1 853394895 CIAYNSASNCXXAK-VHSXEESVSA-N 237.734 3.569 30 20 BHED CC[C@](C)(NC[C@H](C)CCC#N)c1ccccc1 877046527 OUXGHHMIAGCJDT-ZBFHGGJFSA-N 244.382 3.841 30 20 BHED CC(=NNc1ncccc1C(F)(F)F)C(C)C 915051140 MDKXVPXVDMWBSK-UHFFFAOYSA-N 245.248 3.544 30 20 BHED CC(=NNc1cccc(C)c1)c1ccccc1F 916255825 CMEUPYYSWARXHI-UHFFFAOYSA-N 242.297 3.970 30 20 BHED C=CCOc1cccc(NC(=O)/C=C\CCC)c1 920746592 XZZJQOGHOLPEET-POHAHGRESA-N 245.322 3.546 30 20 BHED C=C(C)CCC(=O)Nc1ccc(F)c(F)c1C 1337356344 BOKZNPKNPJYVDZ-UHFFFAOYSA-N 239.265 3.568 30 20 BHED CC(=NOC(C)(C)C)c1cccc(C)c1 1341308437 JHHCBIDPIBLESS-UHFFFAOYSA-N 205.301 3.534 30 20 BHED C#Cc1cccc(N[C@@H]2CCc3ccccc3C2)c1 37185202 XTKJYQNNPMRVFK-GOSISDBHSA-N 247.341 3.637 30 20 BHED C[C@@H](NCc1ccccc1C#N)C1CCCCC1 52338279 OENLNKGLLCJFQO-CYBMUJFWSA-N 242.366 3.617 30 20 BHED CC(C)CCSCc1ccc(C#N)cc1 58239311 KJDWJZLHRYKELW-UHFFFAOYSA-N 219.353 3.838 30 20 BHED N#Cc1ccccc1SCC1CCCC1 62836009 ISTXZNLCKSHIAJ-UHFFFAOYSA-N 217.337 3.841 30 20 BHED CC(C)(C)CCOc1cccc(F)c1C#N 86476975 QMKSHFOZTHWEHL-UHFFFAOYSA-N 221.275 3.512 30 20 BHED COc1cc(C)ccc1NCC(C)(C)CCC#N 92156713 MXCKXBCNZDHQHQ-UHFFFAOYSA-N 246.354 3.746 30 20 BHED C=C[C@@H](C)N[C@H]1CCSc2ccc(F)cc21 122947974 XWVUFXWZLMZFOW-SKDRFNHKSA-N 237.343 3.527 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cc(Cl)ccc1O 134931922 UNIPUWWTDQEGDK-ZJUUUORDSA-N 239.746 3.661 30 20 BHED CC#CCN[C@@H](C)c1cccc2ccccc12 139658882 VPKVYBUPKWFUPD-ZDUSSCGKSA-N 223.319 3.514 30 20 BHED CCC1(CNCc2cc(C#N)cs2)CCCC1 152246137 QRRHJMVGXCJWMA-UHFFFAOYSA-N 248.395 3.680 30 20 BHED C[C@H](N[C@@H]1CCC(C)(C)C1)c1cccc(C#N)c1 164666287 QLAFBUYHGWPBNK-SWLSCSKDSA-N 242.366 3.788 30 20 BHED N#Cc1ccccc1CSCC1CCC1 173737015 ACPPGLOOIOZKIX-UHFFFAOYSA-N 217.337 3.592 30 20 BHED CC[C@@H]1Cc2ccccc2CN1CCCCC#N 185797028 QKWCTKZUMLKXST-MRXNPFEDSA-N 242.366 3.517 30 20 BHED CC#CCCCC(=O)NCC(C)(C)C1CCCC1 185932689 JLBIKARCBAJETR-UHFFFAOYSA-N 249.398 3.513 30 20 BHED C[C@@H]1CCC[C@H](NCc2cc(C#N)cs2)CC1 191112713 ISWOUDPHIFDITE-YPMHNXCESA-N 248.395 3.678 30 20 BHED CC(C)CN(Cc1ccc(C#N)c(F)c1)C(C)C 191942183 QTQHPRACZXTENY-UHFFFAOYSA-N 248.345 3.564 30 20 BHED N#CCCCN[C@@H]1CCCc2c(Cl)cccc21 273396663 FMYZYBDPBUAXKF-CQSZACIVSA-N 248.757 3.611 30 20 BHED C=CC[C@H](CC)NC(=O)[C@H](CC)c1ccccc1 281146745 VRKLDMLUFAFPEA-LSDHHAIUSA-N 245.366 3.651 30 20 BHED C[C@H]1CCCN(CCCCC(C)(C)C#N)[C@H]1C 300120117 MHRFEILMSODAKB-KBPBESRZSA-N 236.403 3.827 30 20 BHED C=C[C@H](C)Nc1ccnc2ccc(Cl)cc12 301608521 OUDCODWVALADGZ-VIFPVBQESA-N 232.714 3.875 30 20 BHED C=CCCCCNc1nc(C(C)(C)C)ns1 309289597 JKTMTHLVGYBCMV-UHFFFAOYSA-N 239.388 3.604 30 20 BHED CC(C)(C#N)CCCCN1CCC(C2CC2)CC1 368336366 NAYMLEUTNOMPCY-UHFFFAOYSA-N 248.414 3.828 30 20 BHED C=CCCCCCCNc1cncc(Cl)n1 380560070 LVCOQAAJKUTZLF-UHFFFAOYSA-N 239.750 3.678 30 20 BHED C=CC(C)(C)CN[C@H](C)c1cccc(F)c1 385240395 VJKSACCEPLVTRQ-LLVKDONJSA-N 221.319 3.689 30 20 BHED CC[C@H](C)[C@@H](C)NCCC1(C#N)CCCCC1 411470138 NTUPERSMXMCLDT-UONOGXRCSA-N 236.403 3.875 30 20 BHED C=CCC(C)(C)C(=O)Nc1cccc(OCC)c1 429849704 UYWZDZWQHLUXOR-UHFFFAOYSA-N 247.338 3.626 30 20 BHED C=CCC[C@@H](NCc1cccc(F)c1)C1CC1 439087698 PDJNJCJASFQRSQ-OAHLLOKOSA-N 233.330 3.660 30 20 BHED C=CCCCC(=O)N1CC2(CCCC2)[C@H]1C(C)C 457175453 SKANSNQNSQKSNQ-OAHLLOKOSA-N 249.398 3.770 30 20 BHED C=CCCCC(=O)N(C)c1cccc(CC)c1 457325233 KQDJCBSZFMCALM-UHFFFAOYSA-N 231.339 3.568 30 20 BHED C=C(C)C[C@H](C)C(=O)N1CCCC2(CCCC2)C1 474616496 ZTPHINFENJIWBY-AWEZNQCLSA-N 249.398 3.772 30 20 BHED C=CCCCC(=O)NCC1CCC(C)(C)CC1 534012230 DHAAXKFLNPMVQP-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCCN1CCC[C@]1(CCC)C(F)(F)F 534298687 UNYUGFPIUHXNBK-LLVKDONJSA-N 235.293 3.760 30 20 BHED C=CCC(C)(C)c1noc(/C(C)=C\CC)n1 560027371 ZYOCNUJKETWGHU-NTMALXAHSA-N 220.316 3.737 30 20 BHED C[C@H](CCC#N)CN[C@@H]1CCCc2sccc21 602611376 NDRSYUAXEDMHHA-DGCLKSJQSA-N 248.395 3.655 30 20 BHED C=CCCN1CCC[C@@H]1Cc1ccc(C)cc1 606898145 QWRSORFPJHTKEW-MRXNPFEDSA-N 229.367 3.578 30 20 BHED C=CCC1(NC(=O)c2sccc2C)CCCC1 619106396 QYARPVHGRUATCF-UHFFFAOYSA-N 249.379 3.675 30 20 BHED C=C(CC)CN1CCS[C@@H](c2ccccc2)C1 678624698 LKCPQWOQHQXAEE-OAHLLOKOSA-N 247.407 3.743 30 20 BHED C=C(C)CCOC(=O)/C=C(\C)c1ccccc1 744303700 QRRUJNKINXXKEL-ACCUITESSA-N 230.307 3.599 30 20 BHED C#CC[C@@H](N[C@@H](C)CCC=C)c1ccccc1 756777567 ZTYYDWVYYGGXRS-GOEBONIOSA-N 227.351 3.695 30 20 BHED CC(=NNc1ccc(C)cc1)c1cnc(C)s1 761251897 GMUIPAUCLSTGLR-UHFFFAOYSA-N 245.351 3.596 30 20 BHED C[C@H]1CCCCC1=NNCCc1ccccc1F 764721797 JNFDRNBWIBADLR-LBPRGKRZSA-N 248.345 3.524 30 20 BHED CC(C)Oc1ccc(N[C@H](C)C(C)C)cc1C#N 792174486 WPJLMWZZNSABPH-GFCCVEGCSA-N 246.354 3.802 30 20 BHED CC(C)C1CCC(C=NNc2ccccn2)CC1 794870189 HYAGYJLUCZVKPL-UHFFFAOYSA-N 245.370 3.942 30 20 BHED FCC[C@@H]1CCCC1=NOCc1ccccc1 794888965 RFMDWUGEGSVASS-ZDUSSCGKSA-N 235.302 3.719 30 20 BHED CC(=NNc1ccc(F)c(F)c1F)C(C)C 814946713 VDJOWNKTNNOOTG-UHFFFAOYSA-N 230.233 3.548 30 20 BHED Clc1cccc(NN=CC2CC2)c1Cl 841646178 XLCZIMDURDTTBW-UHFFFAOYSA-N 229.110 3.801 30 20 BHED CC(C)c1cccc(C=NO[C@@H]2CCCCO2)c1 853325813 PMCSKJARSLECIP-OAHLLOKOSA-N 247.338 3.687 30 20 BHED C#CCCCCC(=O)Nc1ccc2occc2c1 863008164 JRDDOQSESDARRR-UHFFFAOYSA-N 241.290 3.565 30 20 BHED Cc1cccc(NN=C2[C@@H]3CCC[C@@H]3C2(C)C)n1 863160682 OPUTWIJIOFQGPC-NEPJUHHUSA-N 243.354 3.614 30 20 BHED C#CCCCSCCCCC1(C#N)CCC1 901773790 BPSWNXRAPGBMNH-UHFFFAOYSA-N 235.396 3.997 30 20 BHED CC[C@H](NCC1(C#N)CCC1)c1ccc(F)cc1 903032450 UFJPYOUILQHAFI-AWEZNQCLSA-N 246.329 3.560 30 20 BHED CC(=NNc1ccccc1)c1ccccc1F 916245829 DPTNGBDZNUWPAP-UHFFFAOYSA-N 228.270 3.662 30 20 BHED CC(C)(C)ON=C/C=C\c1ccc(F)cc1F 1116573270 IOSZRBHPYMYAHN-VZUDTPMUSA-N 239.265 3.779 30 20 BHED C=C(CC)C(=O)Nc1ccccc1NC1CCC1 1123809983 FSMKJCRAJQIJFT-UHFFFAOYSA-N 244.338 3.556 30 20 BHED CCC[C@@H](C)CC(=O)O[C@H](CC#N)c1ccco1 1346720803 ZBWHUEWXOWRCMQ-DGCLKSJQSA-N 249.310 3.604 30 20 BHED C=C(C)CN(CC)C(=O)Nc1cc(C)cc(C)c1 33612883 FOCKCQSZTHWWDK-UHFFFAOYSA-N 246.354 3.733 30 20 BHED N#C[C@@H](C(=O)CC1CCCCC1)c1ccccc1 35898544 OFTNWMQZDHAYLH-OAHLLOKOSA-N 241.334 3.833 30 20 BHED N#Cc1ccc(NCCC2=CCCCC2)cc1 40421725 VGSUNKKLBSTMLT-UHFFFAOYSA-N 226.323 3.861 30 20 BHED Cc1ccc(C#N)cc1NCc1cccc(F)c1 49488171 LHXMZVAXBHLYEJ-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CC(C)c1ccc(CSCCC#N)cc1 58256550 NNTRNLCJJVWIOG-UHFFFAOYSA-N 219.353 3.957 30 20 BHED C=CCCC(=O)Nc1ccccc1C(C)(C)C 72080121 TZAZVIYGIASQQH-UHFFFAOYSA-N 231.339 3.889 30 20 BHED N#Cc1cccc(/C=C\C(=O)c2ccsc2)c1 96035632 YHTAFAPALDCBMG-PLNGDYQASA-N 239.299 3.516 30 20 BHED C=CCS[C@@H](C)C(=O)Nc1cccc(C)c1C 114756806 OCWOUJZADCEKHI-LBPRGKRZSA-N 249.379 3.550 30 20 BHED C=CC[C@@H](C)NC(=O)Nc1ccccc1C(C)C 116996612 JACXVYLZUBAKJQ-GFCCVEGCSA-N 246.354 3.896 30 20 BHED CCCCCCCCCCNC(=O)N(C)CC 122872438 KPIUJBZEAJGNDU-UHFFFAOYSA-N 242.407 3.788 30 20 BHED C=C(C)CSCc1nc(-c2ccccc2)no1 127451842 WTGZOMLIWXDHGC-UHFFFAOYSA-N 246.335 3.546 30 20 BHED C=C[C@H](C)NCc1cc(F)cc(C(F)(F)F)c1 158117532 FXWKLPUVBSAHJU-QMMMGPOBSA-N 247.235 3.509 30 20 BHED C[C@@H]1Sc2ccccc2N(CCCC#N)[C@@H]1C 161221861 RYTDGELVVZDNOE-NEPJUHHUSA-N 246.379 3.679 30 20 BHED Cc1cc(C)c([C@@H](C)NCCCCC#N)cc1C 178649580 RAFFCNSPWKLALG-OAHLLOKOSA-N 244.382 3.956 30 20 BHED C=CCCN[C@@H](c1ccc(OC)cc1)C(C)C 182051340 BEVHSOXYXOTGMW-OAHLLOKOSA-N 233.355 3.558 30 20 BHED C=C[C@@](C)(CC)C(=O)N(C)c1cccc(C)c1 188035359 GDSRPBNKAFSIEE-HNNXBMFYSA-N 231.339 3.560 30 20 BHED C=CCCCCCN(C)c1ccc(C#N)cc1 218962597 IOKILMMRIBNCGO-UHFFFAOYSA-N 228.339 3.741 30 20 BHED CC(C)C[C@@H](C)COc1ccc(C#N)cc1 304187947 SWEBFRGCLZWJFZ-GFCCVEGCSA-N 217.312 3.619 30 20 BHED C=C(Cl)COc1c(F)cccc1Cl 306234919 NODUEATXXFZUFV-UHFFFAOYSA-N 221.058 3.610 30 20 BHED C=CC[C@H](C)NC(C1CCC1)C1CCC1 308791764 DCAOAKHBELQRQB-NSHDSACASA-N 207.361 3.509 30 20 BHED Cc1cc(NC(=O)CCCC#N)ccc1C1CC1 360654413 UVTIADKNDISMQP-UHFFFAOYSA-N 242.322 3.505 30 20 BHED N#CCCCN1CCC[C@@H]1CCC1CCCC1 361835544 AXEVNSYJRFOAEG-OAHLLOKOSA-N 234.387 3.725 30 20 BHED C#CCCNc1ccccc1SC(C)C 380107495 NHZBXCMJQNPBQQ-UHFFFAOYSA-N 219.353 3.622 30 20 BHED N#Cc1ccc(Cl)cc1N1[C@H]2CCC[C@H]1CC2 380808296 RAGALIUKLJUUBI-STQMWFEESA-N 246.741 3.733 30 20 BHED CCCCCCCCN[C@@H](C)[C@@H]1CCCOC1 388522861 XQSSSCGYXHCOSJ-LSDHHAIUSA-N 241.419 3.752 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1cc(C)ccc1O 393761977 MKGLWHMXLYEUAG-OLZOCXBDSA-N 233.355 3.706 30 20 BHED Cc1ccc2cc([C@@H](C)NCCCC#N)oc2c1 426077336 LMVOFLRFBMSRAK-GFCCVEGCSA-N 242.322 3.696 30 20 BHED C=C(C)CNC(=O)[C@@H](CC(C)C)c1ccccc1 427940404 BSGQBNLBQGLRPR-HNNXBMFYSA-N 245.366 3.509 30 20 BHED C=CCCCC[C@@H](C)NCC1CC(F)(F)C1 449336919 PNDMKYISVAWSIL-LLVKDONJSA-N 231.330 3.756 30 20 BHED C=CC(C)(C)CNC[C@H]1C[C@H]1c1ccccc1 449487614 ZOBNXWBTLQVHHW-CABCVRRESA-N 229.367 3.592 30 20 BHED C=CCCCCN[C@H](C1CCC1)C1CC1 453207146 ZBCZPGVDFGVGHJ-CQSZACIVSA-N 207.361 3.511 30 20 BHED C=CCC(C)(C)C(=O)NCC(C)(C)C1=CCCC1 457188378 VKYJEJLKCXUXAJ-UHFFFAOYSA-N 249.398 3.841 30 20 BHED C=CC[C@H](CC)NC(=O)C1(C)CCCCCC1 466541622 NTCZCBITBNLDQB-ZDUSSCGKSA-N 237.387 3.818 30 20 BHED C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[C@H](C)C1 468109534 JMAZCFWDLYZMEZ-GZBFAFLISA-N 237.387 3.531 30 20 BHED C=CCOCCCSc1ccc(F)c(F)c1 475952472 QXOWJCWWWUWQOD-UHFFFAOYSA-N 244.306 3.650 30 20 BHED C=C(CC)CNc1c(OC)ccc2c1CCC2 479437198 LSYGOOJJHQJVTL-UHFFFAOYSA-N 231.339 3.562 30 20 BHED C=C[C@@H]1CCCCN1Cc1cccc(F)c1F 489471891 HKRHMWDIKURHJQ-GFCCVEGCSA-N 237.293 3.505 30 20 BHED C=C(C)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 511844833 NOCMKUHEPSHJPP-ZACQAIPSSA-N 241.378 3.831 30 20 BHED C=CCSCCCc1cccc(OC)c1 524699271 AUJQLFFRJWBLPZ-UHFFFAOYSA-N 222.353 3.547 30 20 BHED C=CCCN1CCC[C@H]1/C=C\c1ccccc1 541872769 IHFFODGUDLSPOI-JNSOCZORSA-N 227.351 3.740 30 20 BHED C=C[C@](C)(CC)C(=O)NC(C1CCC1)C1CCC1 553630780 SLPLBXNFUDBYKF-MRXNPFEDSA-N 249.398 3.674 30 20 BHED C=CCCCCNc1ccc([C@@H]2CCOC2)cc1 562772323 YEEGOZAELDDPKH-OAHLLOKOSA-N 245.366 3.959 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H](CC)C1 563725419 VFPFNCLDZBBJTH-CHWSQXEVSA-N 237.387 3.674 30 20 BHED C=CCCNC(C)(C)c1ccc(OCCC)cc1 572738370 AZRDZDZOHIDWJP-UHFFFAOYSA-N 247.382 3.876 30 20 BHED C[C@@H](N[C@H](C#N)c1ccccc1)C1CCCCC1 595409923 HFILSOMUFNWDCN-CZUORRHYSA-N 242.366 3.810 30 20 BHED N#Cc1cccnc1Nc1ccc(C2CC2)cc1 611305719 DAVGAXYFHNEVDU-UHFFFAOYSA-N 235.290 3.574 30 20 BHED C=CCCN[C@H](C)c1cc(Cl)ccc1OC 658117361 UUVZVEPNOMOCPS-SNVBAGLBSA-N 239.746 3.575 30 20 BHED C=C(Cl)CN(Cc1ccccc1)CC(C)C 746658487 KWAYDEYSOSMUID-UHFFFAOYSA-N 237.774 3.897 30 20 BHED CC[C@@H](C)ON=C(c1ccccc1)C(F)(F)F 751956054 MXJMTBMYQXHVIR-SECBINFHSA-N 245.244 3.768 30 20 BHED C#CCCCN(CCC)[C@@H]1CCc2ccccc21 766896982 YCGUNUCTJZRIBM-QGZVFWFLSA-N 241.378 3.799 30 20 BHED CC(C)c1nccnc1NN=C1CCCC[C@@H]1C 773090663 JQZOPPOQEWLQFL-NSHDSACASA-N 246.358 3.578 30 20 BHED C=C(CC)COc1ccc(N2CCCC2)cc1 773178262 XMASRRWGDDXYCO-UHFFFAOYSA-N 231.339 3.632 30 20 BHED O=C(/C=C/c1ccccc1)c1ccnc(Cl)c1 779460093 KAUKVDUELNSXTR-VOTSOKGWSA-N 243.693 3.631 30 20 BHED C#CCCCCCC(=O)Oc1ccc(CC)cc1 779715703 NXCFXXDUNMWVGG-UHFFFAOYSA-N 244.334 3.738 30 20 BHED C=C[C@@](C)(CC)C(=O)Oc1ccccc1Cl 786607698 ABOCDWIMHUZRSF-ZDUSSCGKSA-N 238.714 3.848 30 20 BHED Fc1cccnc1NN=CC1CCCCCC1 794981064 SXJSNMJRVSVIRI-UHFFFAOYSA-N 235.306 3.589 30 20 BHED C=CCC[C@@H](NC[C@H]1CCC=CO1)c1ccco1 796947081 HRKJAIIEZNNHFM-ZIAGYGMSSA-N 247.338 3.569 30 20 BHED C=CC[C@H](CC)NC(=O)N[C@@H](C)CCCCC 798345894 OTRLCYITNXOAFR-STQMWFEESA-N 240.391 3.609 30 20 BHED CSCCON=CCC1CCCCCC1 799114007 OKXQUJIXTZSUBJ-UHFFFAOYSA-N 229.389 3.712 30 20 BHED CC[C@@H](NCC1(C#N)CCC1)C1CCCCC1 828721548 CLQFVGYZDRHTHH-CQSZACIVSA-N 234.387 3.629 30 20 BHED C#CCCCCC(=O)N[C@@H](C)[C@@H]1CCC[C@H](C)C1 837157376 VRESFNYTSUAZQY-SOUVJXGZSA-N 249.398 3.511 30 20 BHED C[C@@H]1CCCCC1=NOCc1ccccc1 839419104 IWPBCDPUAQURIJ-GFCCVEGCSA-N 217.312 3.769 30 20 BHED CC(=NNc1ccc(C)cc1)c1ccc(O)cc1 916250097 JUSKKLGYJCZOEM-UHFFFAOYSA-N 240.306 3.537 30 20 BHED C=CCN(CC(=C)Cl)Cc1ccccc1F 917993363 AVAFYAWQEYRBBI-UHFFFAOYSA-N 239.721 3.566 30 20 BHED Cc1ccc(C)c(C=NNc2cccc(F)c2)c1 920383584 HBYOLEUDSVWMQI-UHFFFAOYSA-N 242.297 3.889 30 20 BHED CC(=NNc1cccc(F)c1)c1cccs1 920384328 RJTVACJRIXTOKA-UHFFFAOYSA-N 234.299 3.723 30 20 BHED C[C@H](CN(C)[C@H]1CC[C@H](C#N)C1)C1CCCCC1 1196818128 GMWXYQOEUXSVTK-YCPHGPKFSA-N 248.414 3.827 30 20 BHED C=C(Cl)CN1CCC(C)(c2ccccc2)CC1 1307585934 PYIYIQNTCKLWOC-UHFFFAOYSA-N 249.785 3.793 30 20 BHED CC(C)(C)ON=C1CCC[C@H]1C(C)(C)C#N 1327801068 SEXFCCAUKDDDNZ-SNVBAGLBSA-N 222.332 3.507 30 20 BHED Cc1ccc(NN=C2CCCC2)cc1Cl 6674041 IVTJMACCIFEQIM-UHFFFAOYSA-N 222.719 3.990 30 20 BHED Cc1ccc(/C=C/C(=O)c2cccc(O)c2)s1 8322415 DPNXXFZMUWTYNT-BQYQJAHWSA-N 244.315 3.658 30 20 BHED Cc1cccc(NCc2cccc(C#N)c2)c1C 19964252 LTZOZOLGLHDNSP-UHFFFAOYSA-N 236.318 3.787 30 20 BHED Cc1cccc(CNc2ccc(C#N)cc2F)c1 48266227 CHGBAYPPIAOMOL-UHFFFAOYSA-N 240.281 3.618 30 20 BHED Cc1cc(C)c(C)c(OCCC(C)(C)C#N)c1 87596012 ATQANTLYACCPHO-UHFFFAOYSA-N 231.339 3.931 30 20 BHED CCCCCCCC(=O)N1CCC(C)CC1 94781548 NPSFIXISOJYCAG-UHFFFAOYSA-N 225.376 3.605 30 20 BHED C=C(c1ccc(Br)cc1)C1CC1 98179593 HKBGRZDUYWYGHW-UHFFFAOYSA-N 223.113 3.872 30 20 BHED Cc1ccc([C@H]2[C@H](C)CCCN2CCC#N)cc1 157694919 TWSINNPWIAAHTA-GDBMZVCRSA-N 242.366 3.682 30 20 BHED C=C(C)CSCc1cccnc1Cl 175302012 LNIZCNLDTHALPC-UHFFFAOYSA-N 213.733 3.544 30 20 BHED Cc1ccc([C@H](C)NCCCCC#N)c(C)c1 178647131 XYPQECGSIWCRLI-AWEZNQCLSA-N 230.355 3.648 30 20 BHED C=CCC[C@@H](NCC(F)F)c1ccccc1 180046200 NQPOYSZKOVVMCT-GFCCVEGCSA-N 225.282 3.549 30 20 BHED C=CCN[C@H](C)c1cc2cccc(OCC)c2o1 180354037 SGRAIIVUFHJHAE-LLVKDONJSA-N 245.322 3.668 30 20 BHED C=C(C)CN(C)C(=O)C[C@@H](C)c1ccccc1C 180463511 LCSXPHWZVXIQRT-CQSZACIVSA-N 245.366 3.523 30 20 BHED CC#CCCCC(=O)N1CCC[C@@H]1[C@@H](C)CCC 185889557 LKLJJLBARYZSPF-LSDHHAIUSA-N 249.398 3.607 30 20 BHED CCOc1ccccc1CSCCCC#N 190881127 DLOSTMMKKDYUHU-UHFFFAOYSA-N 235.352 3.622 30 20 BHED C=CCCCCCSCCCc1cn[nH]c1 192548755 HPRHZWYPKSXGNU-UHFFFAOYSA-N 238.400 3.822 30 20 BHED C=CCCCCCSc1nnc(CCC)o1 195443074 CWSOQGDVKBKLQV-UHFFFAOYSA-N 240.372 3.861 30 20 BHED C#C[C@@H](CCC)N[C@H](CC)c1ccc(F)cc1 233296170 WGIVIGWYNWUJLV-LSDHHAIUSA-N 233.330 3.668 30 20 BHED CC[C@H](C)[C@H](C)Nc1snc(Cl)c1C#N 301737607 CCBJRHONQHTFMC-BQBZGAKWSA-N 243.763 3.515 30 20 BHED CC#CCSc1ccccc1Br 306369689 BUSBUENISVSGFB-UHFFFAOYSA-N 241.153 3.565 30 20 BHED C=CC[C@H](C)[C@@H](C)NCC(C)(C)CCC#N 309734950 GEEVTUBXOVFTNK-QWHCGFSZSA-N 222.376 3.507 30 20 BHED N#CC1(/N=C(/O)C(C2CCC2)C2CCC2)CCC1 329667062 RJCJIBCRUFAANW-UHFFFAOYSA-N 246.354 3.606 30 20 BHED C=CC[C@H](C)N[C@@H](C)[C@@H]1CC2CCC1CC2 382195516 RLDJFPKSZRLTHU-FOZYDTHFSA-N 221.388 3.755 30 20 BHED CC(C)(CCNCc1ccc(C#N)s1)C1CC1 383032003 BJUKORLTROIUBJ-UHFFFAOYSA-N 248.395 3.536 30 20 BHED C=CCCCN(C#N)c1ccccc1Cl 429790667 WDDDBKXUCGHITL-UHFFFAOYSA-N 220.703 3.594 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H](C)CC(C)(C)C 457186635 DQZQQDJGOBBSTG-SMDDNHRTSA-N 225.376 3.530 30 20 BHED C=CC(C)(C)C(=O)N1CC[C@@H](C)c2ccccc21 459987524 HOZYKBQHKVALRQ-GFCCVEGCSA-N 243.350 3.739 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 468010814 BVOFTVDRZGEPJK-HLPPOEQASA-N 249.398 3.674 30 20 BHED C=CCCN1CCC[C@@H]1c1ccc(OCC)cc1 548101240 BMSGUJCVEXOQGL-MRXNPFEDSA-N 245.366 3.798 30 20 BHED CC[C@H](C#N)S[C@@H]1CCc2ccccc2C1 594907775 GGOPGQMSDGWOEN-ZIAGYGMSSA-N 231.364 3.579 30 20 BHED C[C@H](c1ccc(F)cc1)N1CCC[C@](C)(C#N)C1 612162295 GLFFKQADNXBJDC-IUODEOHRSA-N 246.329 3.512 30 20 BHED C=CCC(C)(C)c1nc([C@H](C)c2ccco2)no1 621793589 BTRSJYICYKUCEP-SNVBAGLBSA-N 246.310 3.668 30 20 BHED C=CC[C@@H](C(=O)N[C@H](C)CCC)c1ccccc1 681641330 FATVIAAPLVVRLK-UKRRQHHQSA-N 245.366 3.651 30 20 BHED C[C@H](CC(C)(C)C#N)NC[C@@H]1CCCC1(C)C 695857508 DHDMXCJPAFNHMC-OLZOCXBDSA-N 236.403 3.731 30 20 BHED C#C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(C)(C)C 705219443 PMEURPPTAWEWDX-KYOSRNDESA-N 245.366 3.541 30 20 BHED CC(=NNc1cccc(F)c1)C1CCCC1 733075931 CALRYIOXJXGQGX-UHFFFAOYSA-N 220.291 3.804 30 20 BHED C=CCCCOC(=O)[C@@H](C)c1cccc(C)c1 740354982 XZJFCZLBTBKMRC-ZDUSSCGKSA-N 232.323 3.608 30 20 BHED Oc1ccccc1/C=N/[C@@H]1CC[C@@H]2CCC[C@H]2C1 741843781 MBUPVDAKZHMGET-NGVGMPGJSA-N 243.350 3.780 30 20 BHED CC(=NNc1cccc2cnccc12)C1CCC1 747631617 RAZMHTSHLRRZAH-UHFFFAOYSA-N 239.322 3.823 30 20 BHED CC(=NNc1ccc(F)cc1C)C1CCC1 750938653 KXVNSCLETXPKJS-UHFFFAOYSA-N 220.291 3.722 30 20 BHED CCCCCC(C)(C)C(=O)OCCCCC#N 753407816 IHEPMIBNYBPPHD-UHFFFAOYSA-N 239.359 3.830 30 20 BHED C=CC[C@H](NC1CC2(CCC2)C1)c1ccncc1 772879953 SIPGJCSMQFTOHU-HNNXBMFYSA-N 242.366 3.621 30 20 BHED C#CCCCCC(=O)NCC[C@H]1CCCC[C@@H]1C 773305037 ZVYYLVHLKZUVRQ-LSDHHAIUSA-N 249.398 3.513 30 20 BHED COc1ccccc1CC(C)=NOC1CCCC1 774609052 RQCOXWRSZLPNQU-UHFFFAOYSA-N 247.338 3.573 30 20 BHED CC[C@](C)(NCCC(C)(C)C#N)c1ccccc1 776604748 GJSWBJZOLUAVRE-INIZCTEOSA-N 244.382 3.841 30 20 BHED CCc1ccc(C(C)=NOC2CCCCC2)o1 777458835 JTLFMFJJPWLJNL-UHFFFAOYSA-N 235.327 3.915 30 20 BHED CCCCCCCOC(=O)[C@@H]1CCC(F)(F)C1 796377368 UTSKZQZTCBYXGQ-LLVKDONJSA-N 248.313 3.935 30 20 BHED CC[C@H](C)CCC(=O)OCCCC(C)(C)C#N 803878427 VEPWGGLPVXATGB-LBPRGKRZSA-N 239.359 3.686 30 20 BHED CC(CCc1ccccc1)=NOC/C=C\Cl 811670318 PJGGWQMYVHNOPS-NRBJTAHNSA-N 237.730 3.764 30 20 BHED C=CCC(F)(F)C(=O)OCCC(C)(C)CC 815312433 WVRWMJNLYCFGPM-UHFFFAOYSA-N 234.286 3.567 30 20 BHED C=CC(C)(C)COC(=O)[C@@H](C)c1cccs1 835724290 IHELFQGLXSSYOJ-JTQLQIEISA-N 238.352 3.607 30 20 BHED CC(CC(C)(C)C#N)=NNc1ccc(C)cc1 853256505 ZXEOQASJCHWVAA-UHFFFAOYSA-N 229.327 3.723 30 20 BHED C=CC(C)(C)CC(=O)N1CCCC[C@H]1CCC 879469847 JZMNHNYNZRYFNR-CYBMUJFWSA-N 237.387 3.770 30 20 BHED C=C1CC(c2noc(C3CC4(CCC4)C3)n2)C1 896873858 HIMKKZXXABBLLA-UHFFFAOYSA-N 230.311 3.551 30 20 BHED C[C@@H](CCC#N)S[C@H]1CCOc2ccccc21 1188942297 RKEZXMAKUNUSOV-FZMZJTMJSA-N 247.363 3.936 30 20 BHED N#CCC1(CSC2=Nc3ccccc3C2)CC1 1261596205 UXFQNOSDGKZIJO-UHFFFAOYSA-N 242.347 3.700 30 20 BHED CC(C)[C@H]1CCCN(C[C@H](C)CCC#N)CC1 1663618416 PFOVHKSMMCOXOZ-CABCVRRESA-N 236.403 3.684 30 20 BHED N#Cc1ccc(Cl)cc1NCC1CCCC1 50271617 MUYVLHLSGGVIAD-UHFFFAOYSA-N 234.730 3.814 30 20 BHED CC1(C)CCN(c2ccc(C#N)c(Cl)c2)CC1 61851249 OIGSZMAPWSKYGW-UHFFFAOYSA-N 248.757 3.838 30 20 BHED C=C(CC)CN[C@@H](C)c1ccc(C)cc1 85058039 PNLVRDSMINNENS-ZDUSSCGKSA-N 203.329 3.612 30 20 BHED CN(Cc1cc(C#N)cs1)C1CCCCCC1 122068825 LHPFBAMTPTUPEO-UHFFFAOYSA-N 248.395 3.774 30 20 BHED C=C(C)CNC(=O)[C@@H](c1ccccc1)[C@H](C)CC 123066557 WKKIOPKYBUUSAR-UKRRQHHQSA-N 245.366 3.509 30 20 BHED C=CCC[C@H](C)NC1C[C@@H](C)C[C@H](C)C1 126848147 AJAHVSNCTQUCPQ-AVGNSLFASA-N 209.377 3.755 30 20 BHED C=C(Cl)CN[C@@H]1CCCc2cc(F)ccc21 132263054 RQRGAFPNEAHYAO-CYBMUJFWSA-N 239.721 3.545 30 20 BHED C=C[C@@H](C)N[C@H]1CCCc2c(Cl)cccc21 134928503 IKRHWOPBNNURGM-YGRLFVJLSA-N 235.758 3.882 30 20 BHED CCN(C[C@@H](C)C#N)[C@@H]1CCCc2ccccc21 155298684 JKBUTPQLGNNSGS-XJKSGUPXSA-N 242.366 3.546 30 20 BHED CC(C)(CCC#N)CNc1cc(F)ccc1F 164838314 RRWBNMFSQZISBS-UHFFFAOYSA-N 238.281 3.707 30 20 BHED C=CCCCCCN(C)CCCC(C)(C)C#N 174871601 WAPBPYGISFZFNZ-UHFFFAOYSA-N 236.403 3.995 30 20 BHED C=C(C)CN(C)C(=O)N[C@@H](C)CCCCCC 180393018 PVLCOVBVIRCQKD-ZDUSSCGKSA-N 240.391 3.563 30 20 BHED C=C[C@H](CC(=O)N(CC)CCC)c1ccccc1 270242270 KNSOLSFBOIDORX-CQSZACIVSA-N 245.366 3.605 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccc(C#N)c(F)c1 281585815 LLTIQFBPIZVMKM-FZMZJTMJSA-N 246.329 3.703 30 20 BHED N#CCCCCNCc1ccc(C2CCC2)cc1 293468153 DSKCMFVOMRCWOR-UHFFFAOYSA-N 242.366 3.738 30 20 BHED CSc1ccccc1[C@H](C)N[C@H](C)CCC#N 297935813 AAQHZZVCOOCSJY-NEPJUHHUSA-N 248.395 3.751 30 20 BHED C=C(C)CCSC[C@H](C)C(F)(F)F 308251121 HKQLDFPSTIPCNN-QMMMGPOBSA-N 212.280 3.884 30 20 BHED C=CCCCNc1ccccc1OC(C)C 309426001 AQWCSXUQCJGJBV-UHFFFAOYSA-N 219.328 3.852 30 20 BHED CC(C)(C#N)CN[C@H]1CCCCC12CCCC2 384000681 OLLKCQPLLPWCNO-ZDUSSCGKSA-N 234.387 3.629 30 20 BHED Cc1ccccc1NCc1ccc(CC#N)cc1 399064556 AZKCNXSWBVYWNL-UHFFFAOYSA-N 236.318 3.673 30 20 BHED Cc1occc1SCC1(C#N)CCCC1 405142031 VFBAOHQVFUWTGC-UHFFFAOYSA-N 221.325 3.764 30 20 BHED CC1(C)CCc2ccccc2[C@H](NCCC#N)C1 411698905 VVBXFMRWKCJEKC-OAHLLOKOSA-N 242.366 3.593 30 20 BHED CC[C@@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 414221020 KFZKEBXBLUVDMH-FVQBIDKESA-N 242.366 3.810 30 20 BHED CC[C@H](NC1CCC(C)(C#N)CC1)[C@@H]1CC1(C)C 417401080 KYHYAULFNNQQJA-WJEHIRDRSA-N 248.414 3.873 30 20 BHED CC#CCCN1CC[C@H](c2ccccc2)C[C@@H]1C 439320589 ODUUQQXARJXWFL-RDJZCZTQSA-N 241.378 3.668 30 20 BHED CCC[C@H](N[C@H]1CC[C@@H](C#N)C1)C1CCCC1 449246405 BQIREXNXUUYOKR-SNPRPXQTSA-N 234.387 3.627 30 20 BHED C[C@@H](NCC1(C#N)CC1)c1cccc(C2CC2)c1 451113727 JEZYKGTVMWIXCC-GFCCVEGCSA-N 240.350 3.518 30 20 BHED C=C(C)CCNC(=O)c1ccc(C(C)C)s1 452715576 DRKCALFGDYNMAY-UHFFFAOYSA-N 237.368 3.568 30 20 BHED C=CCC1(NC(=O)[C@@H](C)C(C)C)CCCCC1 456359796 CLECZBFDMJJNLN-ZDUSSCGKSA-N 237.387 3.674 30 20 BHED C=CCC[C@H](CCC)NC1CCC(OC)CC1 459680536 PPFOHOILNBDCMH-NFOMZHRRSA-N 239.403 3.669 30 20 BHED C=CCCN(C)CCc1ccc2ccccc2c1 467296884 BPDJWIUQIHDBCJ-UHFFFAOYSA-N 239.362 3.890 30 20 BHED C=CC[C@@H](CC)N[C@H]1CCc2c(C)cccc21 467404376 KDWYQVMUAILAMW-CJNGLKHVSA-N 229.367 3.927 30 20 BHED C=CCCCCNC(=O)[C@H](C)CCC(C)(C)C 471671648 PMPSIIDAWBVDPD-CYBMUJFWSA-N 239.403 3.921 30 20 BHED C=C(C)CNC(=O)[C@H](CC)C1CCC(C)CC1 490035630 POCDKLMXSWDPBD-JXQTWKCFSA-N 237.387 3.531 30 20 BHED C[C@@H](SCCC(C)(C)O)c1ccc(C#N)cc1 572015152 LZXRYIYODJSYBL-LLVKDONJSA-N 249.379 3.513 30 20 BHED C=CCC[C@@H](C)NCc1cccc2[nH]ccc12 631808077 VHZXBKXOSHITCX-GFCCVEGCSA-N 228.339 3.612 30 20 BHED C=CCCCCN[C@@](C)(CC)C(F)(F)F 649384510 XQUHOEJMSMREDE-JTQLQIEISA-N 223.282 3.663 30 20 BHED C=CCCN(C)C(=O)c1ccc(CCCC)cc1 682427232 HYYGXGDKORFXIG-UHFFFAOYSA-N 245.366 3.677 30 20 BHED C=C(C)CCNc1c(OC)ccc2c1CCC2 685199794 KYTCSUXEFIXUKJ-UHFFFAOYSA-N 231.339 3.562 30 20 BHED CC[C@H](CC(F)F)CN(CCC#N)CC(C)C 688732123 REOOLMRZAGUDCG-GFCCVEGCSA-N 246.345 3.539 30 20 BHED C#CCCCCC(=O)Nc1ccc(CCC)cc1 692877149 VPRGBEYKMONRAF-UHFFFAOYSA-N 243.350 3.771 30 20 BHED C[C@@H]1CCCC1=NNc1cccc(Cl)c1 729140290 AEDWYDLKZYLSCK-SECBINFHSA-N 222.719 3.928 30 20 BHED CCCC[C@H]1CCCC1=NNc1ccc(C)nn1 729937804 FQVSCNYDSYIYHX-LBPRGKRZSA-N 246.358 3.543 30 20 BHED C=CCCC(=O)Oc1c(C)cccc1Cl 736021389 FAQDLUFNIGZWFG-UHFFFAOYSA-N 224.687 3.520 30 20 BHED CCCCCCCSCC(=O)OC(C)C 741476264 LWNITFXTXCNMDO-UHFFFAOYSA-N 232.389 3.642 30 20 BHED C[C@H](C=NOC1CCCC1)c1ccccc1 774596352 CZPRXYNRXHQLET-GFCCVEGCSA-N 217.312 3.735 30 20 BHED CC(=NOC1CCCCC1)c1ccc(N)cc1C 777453827 SIAHHUKHJRAGIQ-UHFFFAOYSA-N 246.354 3.651 30 20 BHED CC(CC1CCCC1)=NNCCC(C)(C)C 782906743 DVMUTIUVRVAMER-UHFFFAOYSA-N 224.392 3.968 30 20 BHED CC(=NOCCC1CC1)c1cc2ccccc2o1 783553129 PNLPYVMDLBDSNR-UHFFFAOYSA-N 243.306 3.974 30 20 BHED CC[C@H](C)NN=C[C@@H]1CCCC(C)(C)C1 790189892 RXLYYXXNVHZCFS-NWDGAFQWSA-N 210.365 3.577 30 20 BHED C[C@@H]1CCCC(=NOC/C=C\Cl)[C@@H]1C 811669721 SURKOADWKPLAPM-IWUGMSNPSA-N 215.724 3.568 30 20 BHED CC[C@@H]1C[C@@H](C)CCC1=NOC1CCC1 812238368 TZVFJBYKYVAOFD-WDEREUQCSA-N 209.333 3.758 30 20 BHED CC(=NOCCC1CC1)c1ccc(C)cc1 814246728 WNRBMPCHRAPLQN-UHFFFAOYSA-N 217.312 3.536 30 20 BHED Cc1ccc(C)c(NN=C2CC[C@H](C)C2)c1 814753719 WXHJYXQTCJVYQM-JTQLQIEISA-N 216.328 3.891 30 20 BHED CCCCCC(C)=NN[C@H](C)c1ccncc1 819816315 ZHHLWFARCMHMMK-CYBMUJFWSA-N 233.359 3.688 30 20 BHED CC(C)c1cccc(C=NO[C@H]2CCCCO2)c1 853325811 PMCSKJARSLECIP-HNNXBMFYSA-N 247.338 3.687 30 20 BHED CC(C)=NNc1cccc(C(F)(F)F)c1 864536568 JHGLCKGNLYGSBA-UHFFFAOYSA-N 216.206 3.513 30 20 BHED C=C(Cl)COc1ccc(/C=C\C)cc1OC 916610146 YTYRPNUEISTFKZ-PLNGDYQASA-N 238.714 3.860 30 20 BHED CC[C@@H]1CCCC1=NNc1ccc([N+](=O)[O-])cc1 916661284 RNXWMOYCKQLEEV-SNVBAGLBSA-N 247.298 3.573 30 20 BHED C=C(Cl)CSc1c(F)cc(F)cc1F 917440674 WVUDOLQDUYSDQV-UHFFFAOYSA-N 238.661 3.949 30 20 BHED c1cc2c(c(NN=C3CCCC3)c1)CCCC2 917551451 JQPVIAGAUMIHBC-UHFFFAOYSA-N 228.339 3.907 30 20 BHED C=C[C@H](CC)CC(=O)Nc1ccccc1Cl 929134380 WEHGCWMHMWXDKG-SNVBAGLBSA-N 237.730 3.881 30 20 BHED C[C@H](CCNc1ncccc1C#N)CC(C)(C)C 1186120353 BWBAPUBSNSAUQD-GFCCVEGCSA-N 245.370 3.828 30 20 BHED N#C[C@H]1CC[C@@H](NCCC2CCCCCC2)C1 1254644608 ZTWIXXSPXJRDOW-LSDHHAIUSA-N 234.387 3.629 30 20 BHED C=C(C)CCC(=O)OCCCCC(F)(F)F 1343461930 UTYNBUKDSUBPLT-UHFFFAOYSA-N 238.249 3.619 30 20 BHED C=C(C)CCC(=O)N(C)[C@@H](C)c1ccccc1F 1357561869 XMDWLHXTFPHBMW-LBPRGKRZSA-N 249.329 3.701 30 20 BHED CC1CC(CSc2cccc(C#N)c2)C1 1472997274 QNRIMFDDFFMIAO-UHFFFAOYSA-N 217.337 3.696 30 20 BHED C[C@@H]1CCN([C@@H](C#N)c2ccccc2)CC1(C)C 1653230054 OCKXWDRXSXBOKU-HIFRSBDPSA-N 242.366 3.619 30 20 BHED C[C@H](NC[C@@H]1CC=CCC1)c1ccc(C#N)cc1 35256381 ONTZZGAUUPAQOD-DZGCQCFKSA-N 240.350 3.565 30 20 BHED Cc1cccc(C)c1NCc1ccc(C#N)cc1 49800001 NBYDVVINPUFHOX-UHFFFAOYSA-N 236.318 3.787 30 20 BHED C[C@H]1CCC[C@@H](CNc2cccc(F)c2C#N)C1 89605666 ABYPWIPJAGVKKP-NWDGAFQWSA-N 246.329 3.936 30 20 BHED N#C[C@@H](SCc1ccco1)C1CCCCC1 128553963 YRCLKYIZCFALHJ-CYBMUJFWSA-N 235.352 3.985 30 20 BHED C=CC[C@@H](CC)NCc1ccc(C)s1 308590877 KHFPOBMQPKAYPG-LLVKDONJSA-N 209.358 3.501 30 20 BHED C=CCC[C@H](NCCCC(C)C)C1CC1 308857892 QNOVXAWEYZBYNY-AWEZNQCLSA-N 209.377 3.757 30 20 BHED C=CC[C@H](CC)N[C@@H]1CS[C@@H](C(C)(C)C)C1 309413958 CGDBIRAJNZJTSN-RWMBFGLXSA-N 241.444 3.851 30 20 BHED C[C@H](c1cccc(F)c1)N1CCC(CC#N)CC1 335978622 POKAVPMXYFWGGX-GFCCVEGCSA-N 246.329 3.512 30 20 BHED C=CCCSCc1ccc(F)cc1C#N 339089872 DFLJXGDPZGCXFU-UHFFFAOYSA-N 221.300 3.507 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)Cc1cccc(F)c1 393774391 DBQOOBGKGOMWMS-SWLSCSKDSA-N 235.346 3.701 30 20 BHED CCCC[C@@H](N[C@@H](C)CCC#N)C1CCC1 411515145 HLWDJZZXSJGVIP-GXTWGEPZSA-N 222.376 3.627 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H]1CCCC[C@H]1OCC 449757256 CWYUQYALBNYVGB-BYNSBNAKSA-N 239.403 3.524 30 20 BHED CC(C)[C@H](CN(C)C[C@@H](C)C#N)c1ccccc1 474156157 FKKQOYXYQXCBPZ-HOCLYGCPSA-N 244.382 3.518 30 20 BHED CC#CCCN[C@@H](CCC)CCc1ccccc1 482157246 NNWNZJQWRUVKRS-KRWDZBQOSA-N 243.394 3.791 30 20 BHED CC(C)(C)CCCSc1ccc(C#N)cn1 499937753 UZAYNGWDAIOFFB-UHFFFAOYSA-N 234.368 3.872 30 20 BHED C=CCCCOc1ccc(C(F)(F)F)nc1C 506282960 PYLCEYQUFCMKHG-UHFFFAOYSA-N 245.244 3.754 30 20 BHED C=CCC[C@@H](NCCc1sccc1C)C1CC1 538117309 WCIMPUQLBSSRHV-CQSZACIVSA-N 249.423 3.933 30 20 BHED CC[C@@H]1CCC[C@H](CN2CCC(CC#N)CC2)C1 542486940 WFNSAEJHFXKUFU-ZBFHGGJFSA-N 248.414 3.828 30 20 BHED C=C1CCN([C@@H](C)CCc2cccc(F)c2)CC1 543088609 NFMSMESSMNNKEV-AWEZNQCLSA-N 247.357 3.799 30 20 BHED CC#CCNc1ccccc1COC(C)(C)CC 544639665 IDFLMFZIKOFMHH-UHFFFAOYSA-N 245.366 3.827 30 20 BHED C=CCN(CCCCCF)Cc1cccs1 567296937 BZGXBRQGVIYPSZ-UHFFFAOYSA-N 241.375 3.876 30 20 BHED C=C[C@@H]1CCCCN1Cc1cnc(C2CC2)s1 568942044 AVUGLYVDUXNTLS-GFCCVEGCSA-N 248.395 3.561 30 20 BHED C=CCCCCN(C)[C@@H](C)c1cccc(C#N)c1 582901927 VMLBGYMFXWHFGT-AWEZNQCLSA-N 242.366 3.907 30 20 BHED COCc1ccc(SCC2(CC#N)CC2)cc1 594890618 PNPPIPDMFPEDLM-UHFFFAOYSA-N 247.363 3.619 30 20 BHED C[C@@H]1CCCC[C@H]1Sc1ccc(C#N)cn1 600520900 HPBFYJWWGGNIKS-ZYHUDNBSSA-N 232.352 3.624 30 20 BHED C[C@@H]1CCCC[C@@H]1CCNc1cccc(C#N)n1 609893829 MSKZSRRNJKNLJU-CHWSQXEVSA-N 243.354 3.582 30 20 BHED C=CCCC(C)(C)NC(=O)Nc1ccsc1 666315529 CRGBSHLTUSHPJQ-UHFFFAOYSA-N 238.356 3.614 30 20 BHED C=CCCOC(=O)c1cccc2c(C)c(C)[nH]c12 729072556 QZGJGGQFKFZVMM-UHFFFAOYSA-N 243.306 3.518 30 20 BHED CCC(CC)NN=Cc1cccc2ccccc12 734365345 WVNSOFYDTNHONP-UHFFFAOYSA-N 240.350 3.952 30 20 BHED C=CCCCC(=O)OCc1c(C)cccc1C 748228496 YYRDOYOZBBPQFC-UHFFFAOYSA-N 232.323 3.703 30 20 BHED C=CCCCC(=O)O[C@H](C)c1cccc(C#N)c1 749029166 NINZVXNCRFTPAX-GFCCVEGCSA-N 243.306 3.519 30 20 BHED CCc1ccc(C(C)=NNc2cccc(F)c2)o1 752163754 CZMYVZJNIHPRPK-UHFFFAOYSA-N 246.285 3.817 30 20 BHED CC[C@@H](C)C=NNc1cc(C)ccc1F 755773131 RDWMWBHNXIUDAC-SECBINFHSA-N 208.280 3.578 30 20 BHED C[C@H]1C[C@H]1C=NNc1ccc(Cl)c(F)c1 758377683 BINGTSWTEBATSN-YUMQZZPRSA-N 226.682 3.533 30 20 BHED CCC[C@H](C)c1noc(C2(C#N)CCCCC2)n1 761832097 DYUKPRYBJMNAOY-NSHDSACASA-N 247.342 3.699 30 20 BHED C=C(Cl)CN(C)Cc1c(F)cccc1Cl 765911645 SNOFNZVUZPSGEV-UHFFFAOYSA-N 248.128 3.663 30 20 BHED C=CC[C@H](C)[C@@H](C)NCc1c(C)cccc1F 766215665 KIQQKCQQDNDTPN-WCQYABFASA-N 235.346 3.824 30 20 BHED CCc1cnccc1C(=O)/C=C/c1ccccc1 766772608 WKHKWRPVCMKXSG-CMDGGOBGSA-N 237.302 3.540 30 20 BHED CC(=NOC1CCCC1)c1ccccc1C 774596373 DMXZHJJSGFZNEI-UHFFFAOYSA-N 217.312 3.678 30 20 BHED CCCC(CC)=NNc1ccc(C#N)cc1 776186552 VQKAZFXYYBKCMT-UHFFFAOYSA-N 215.300 3.536 30 20 BHED C=CC[C@H](C(=O)OCC(C)C)c1ccccc1 778418620 SOIGSFYKKHGWFL-AWEZNQCLSA-N 232.323 3.546 30 20 BHED CO[C@@H](C(C)=NOC1CCCC1)c1ccccc1 782268075 MRUYVTIOWWHOEZ-HNNXBMFYSA-N 247.338 3.709 30 20 BHED C=CCC1(C(=O)O[C@@H](C)CC(C)C)CCC1 791784049 NWZRXNXVAQQBMZ-LBPRGKRZSA-N 224.344 3.711 30 20 BHED c1ccc(CON=C2CCC3(CC2)CC3)cc1 792630309 GIPKSNZZZOVGCI-UHFFFAOYSA-N 229.323 3.913 30 20 BHED COCCCON=CC[C@@H](C)CCC=C(C)C 795048486 LVEUXEOUKDHNDF-AWEZNQCLSA-N 241.375 3.798 30 20 BHED CC[C@H]1CCCCC1=NOC/C=C/Cl 811671356 DCKVLGMISDBRKH-YSZQQCSUSA-N 215.724 3.712 30 20 BHED C=CCCCCN[C@H](c1ccccn1)C(C)C 828692721 KXAOUCOBWDUJOY-HNNXBMFYSA-N 232.371 3.725 30 20 BHED CCC[C@H](C)C(CC)=NN[C@H](C)C(F)(F)F 834999738 HHIRQHSEVJFGEX-DTWKUNHWSA-N 238.297 3.729 30 20 BHED C=CCC(C)(C)C(=O)Oc1ccc(C)cc1OC 839219093 UVYDZEKKUIDTMI-UHFFFAOYSA-N 248.322 3.511 30 20 BHED CC1(COC(=O)CC2(C#N)CCCCC2)CCC1 850988482 RFNFYKZLYLDBBK-UHFFFAOYSA-N 249.354 3.584 30 20 BHED C=CCC1(NC[C@H]2CC2(Cl)Cl)CCCC1 852589388 OSPOGAQIOYEAJK-SNVBAGLBSA-N 248.197 3.659 30 20 BHED C=CCCCCCCCNC(=O)C1CC2(CC2)C1 854499753 KILPHYMIBOSHNA-UHFFFAOYSA-N 249.398 3.819 30 20 BHED N#CCCCSCc1nsc2ccccc12 902524994 XPRVJDPBONKITM-UHFFFAOYSA-N 248.376 3.833 30 20 BHED C[C@@H]1CCC[C@@H](C)C1N[C@@H](C#N)c1ccccc1 1350375837 GBGPSZBZEZCCFS-NFAWXSAZSA-N 242.366 3.666 30 20 BHED C[C@H]1[C@H](C)CCCN1CCC1(C#N)CCCCC1 1473187872 UYECZDFJUHROHY-CABCVRRESA-N 248.414 3.971 30 20 BHED C=C(CC)C(=O)N1CCCCC[C@@H]1c1ccco1 1519541946 XFEYFTRHVXSYAL-CYBMUJFWSA-N 247.338 3.690 30 20 BHED CCC[C@@H](C)[C@H]1CCCN1CC1(CC#N)CC1 1559647497 IYOPLYKAZJNDPU-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED CCC(CC)CN(C)[C@H](C)c1cccc(C#N)c1 1643523540 YPIVVPCOZFOHIX-CYBMUJFWSA-N 244.382 3.987 30 20 BHED CCc1ccc(CNc2ccc(CC#N)cc2)o1 51723495 LBHFBNLCSKHXLZ-UHFFFAOYSA-N 240.306 3.520 30 20 BHED CC[C@@H](NCCCCC#N)C1CCCCC1 52338329 BKEUAEHOSPHHJC-CQSZACIVSA-N 222.376 3.629 30 20 BHED C=C(CC)CN[C@@H](C)c1cc(C)oc1C 85058171 QUUVKIZPQHVRLM-NSHDSACASA-N 207.317 3.513 30 20 BHED N#Cc1cc2ccccc2nc1N[C@@H]1CC=CCC1 88748713 NVESTYMTOYLKEU-CQSZACIVSA-N 249.317 3.627 30 20 BHED Cc1cc(/C=C/C(=O)c2occc2C)ccc1F 119006643 GUUAHPQVYPRYTJ-GQCTYLIASA-N 244.265 3.932 30 20 BHED C=CC[C@@H](C)N[C@H]1CCc2c(C)cccc21 129628054 NOBBIHVQQWTYRB-DOMZBBRYSA-N 215.340 3.537 30 20 BHED C=C[C@@H](C)NCc1ccc(-c2ccccc2)o1 153635424 UFYMNLAQNAYSLB-GFCCVEGCSA-N 227.307 3.611 30 20 BHED C=CCCN[C@@H](C)c1ccc(Cl)c(F)c1 162396237 AMUREZAZWJHIJG-VIFPVBQESA-N 227.710 3.706 30 20 BHED CC#CCCCC(=O)N(C)C1CCCCCCC1 185374307 MIEIRGIKXVILHH-UHFFFAOYSA-N 249.398 3.751 30 20 BHED C#CCCCCN[C@H](C)c1ccc(C)c(C)c1 222290109 UZGWYOZARQDWKZ-OAHLLOKOSA-N 229.367 3.758 30 20 BHED C[C@@H]1CC[C@H](CNc2cccc(F)c2C#N)C1 230425957 OUWXIUPEKOQBDV-MNOVXSKESA-N 232.302 3.545 30 20 BHED CC[C@@H](C)CN(C)[C@H](C)c1cccc(C#N)c1 249291091 VRMQWSPCPKZRLK-CHWSQXEVSA-N 230.355 3.597 30 20 BHED C=CCCC(=O)N[C@H](c1ccc(C)cc1)C1CC1 263685034 PVNYRSDQMIRSRA-MRXNPFEDSA-N 243.350 3.529 30 20 BHED C[C@@H]1CC(C)(C)CC[C@H]1Nc1ncccc1C#N 301579080 ZTNYDOHEMLERFP-DGCLKSJQSA-N 243.354 3.580 30 20 BHED CC(C)C[C@@H](C)CN(CCC#N)CC(C)C 304165982 JIIWAMUDMDJAQD-CQSZACIVSA-N 224.392 3.540 30 20 BHED CCC1(CC)CCN([C@H]2CC[C@H](C#N)C2)CC1 335928897 XONROOYUQZEZSL-KBPBESRZSA-N 234.387 3.581 30 20 BHED CSc1cccc(N[C@H]2CC[C@H](C#N)C2)c1C 336448076 AASSKMIIYLOBNW-RYUDHWBXSA-N 246.379 3.821 30 20 BHED C=CCCCc1nc(C2CCC(C)CC2)no1 356194719 ZINYUHPTJDPCOO-UHFFFAOYSA-N 234.343 3.872 30 20 BHED C=C(CC)Cn1ccc(-c2cccs2)n1 358664665 LKJBESAIIYXRRI-UHFFFAOYSA-N 218.325 3.578 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc2c(c1)CCC2 386829531 VPMNQDSCTDUZFE-ZDUSSCGKSA-N 229.367 3.792 30 20 BHED C=CCCCCCS[C@@H](C)COC 388639904 OBRZZMLCEPGGSE-NSHDSACASA-N 202.363 3.501 30 20 BHED C=CC[C@H](CC)NC(=O)c1cc(C)c(F)c(C)c1 410130264 LUQUBNBULWVHJK-ZDUSSCGKSA-N 249.329 3.527 30 20 BHED C=CCCCCCn1nc(C2CCC2)nc1C 418909396 ALQOMMOQYVXSIE-UHFFFAOYSA-N 233.359 3.600 30 20 BHED C=CCC[C@H](Nc1ccc2c(c1)CCN2)C1CC1 423209395 FERVOPUWTDAOCS-INIZCTEOSA-N 242.366 3.811 30 20 BHED CCCC[C@H]1CCC[C@H]1NCC1(CC#N)CC1 430741939 KJIHSDPPDHRJDX-UONOGXRCSA-N 234.387 3.629 30 20 BHED C=C(CC)CN(C)CC1(c2ccccc2)CC1 444687086 ZPPKITKSWOKLRE-UHFFFAOYSA-N 229.367 3.616 30 20 BHED C=CC1CCN(C(=O)[C@H]2CCC[C@H]2CCC)CC1 448952158 DWENWPVHIFSPJS-CABCVRRESA-N 249.398 3.627 30 20 BHED C=C(C)CCN[C@H]1CCC[C@@H](c2cccnc2)C1 449475169 KRRXJWIDFVZYCT-ZBFHGGJFSA-N 244.382 3.664 30 20 BHED N#CC1(CSC2CCCCC2)CCC1 450629803 RLQDTQJNXXWEBK-UHFFFAOYSA-N 209.358 3.746 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)c1cc(C)cc(C)c1 467925788 FLHBWTYBYANUNG-MRXNPFEDSA-N 245.366 3.869 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc2occc2c1 530005480 ZKEXNRYCYLYGTA-OAHLLOKOSA-N 243.306 3.974 30 20 BHED C=C(C)CSc1ccc(C#N)cc1Cl 531544607 FSOSCCXZDYNWSQ-UHFFFAOYSA-N 223.728 3.880 30 20 BHED C=C(CC)COc1ccc(NC(=O)C(C)C)cc1 539095756 YCNFUJAHRIUKIS-UHFFFAOYSA-N 247.338 3.626 30 20 BHED C=CCC(C)(C)c1noc(-c2cscc2C)n1 551143266 NMDPCTLAMJTBLD-UHFFFAOYSA-N 248.351 3.960 30 20 BHED C=CC[C@@H](C)NC(=O)CCCCC(C)(C)C 552983134 YGOLYFHYAZAMAQ-GFCCVEGCSA-N 225.376 3.674 30 20 BHED Cc1cccc(N[C@H]2CCc3ccc(C#N)cc32)c1 574799635 WQTQHIAXUOLJJX-KRWDZBQOSA-N 248.329 3.966 30 20 BHED CC[C@@H](N[C@H](CC)C1CC1)c1ccc(C#N)cc1 595079030 CDEKSNSVVPWWKO-HZPDHXFCSA-N 242.366 3.788 30 20 BHED C[C@@H](c1cccc(C#N)c1)N(C)CCC1CCC1 595548177 ARAHDPBNXGPCJU-ZDUSSCGKSA-N 242.366 3.741 30 20 BHED CC(C)=CCCSCC1(C#N)CCC1 596367977 GEOJMBCSTAYONP-UHFFFAOYSA-N 209.358 3.770 30 20 BHED CC[C@H](N[C@H]1CC[C@@H](C#N)C1)C1CCCCC1 613667724 LWFVGLAPSJYNOS-SNPRPXQTSA-N 234.387 3.627 30 20 BHED C=CC[C@@H]1CCCN(C(=O)CC[C@@H](C)CC)C1 617778204 ADSTXPAKVHBRGW-UONOGXRCSA-N 237.387 3.627 30 20 BHED CC(C)(C)CS[C@H](C#N)Cc1ccccc1 619648730 VRWRSXRVNQHIOQ-ZDUSSCGKSA-N 233.380 3.901 30 20 BHED C=C[C@H](C)N[C@H]1CCc2cc(F)c(Cl)cc21 623904342 AOYQTUXXMZFIIU-SDBXPKJASA-N 239.721 3.631 30 20 BHED C=CCN(CCCCOC(C)(C)C)C(C)(C)C 661759882 KWMWEFAZUYOPGU-UHFFFAOYSA-N 241.419 3.868 30 20 BHED CCC(Cc1cccs1)=NNC1CCCC1 730946810 OESNLWNNAOVZOS-UHFFFAOYSA-N 236.384 3.589 30 20 BHED CC[C@H](C)C[C@@H](C)/N=C/c1cccc(OC)c1O 743043019 PKQWOANQEAXMJO-AWOYWQDDSA-N 249.354 3.644 30 20 BHED C=C(C)CCOC(=O)c1ccc(F)cc1Cl 744304928 IGIKBEYXEOQGRT-UHFFFAOYSA-N 242.677 3.602 30 20 BHED Cc1cc(C=NN[C@H]2CCCCC2(C)C)c(C)[nH]1 773125537 PMICYHNUXQDDOD-AWEZNQCLSA-N 247.386 3.524 30 20 BHED C=C(CC)CSCc1ncc(C(C)C)o1 773289535 GPNFFLAIDDPGSG-UHFFFAOYSA-N 225.357 3.997 30 20 BHED Cc1ccncc1CCC=NOC1CCCCC1 777456962 JGOOBWWIKKZAKR-UHFFFAOYSA-N 246.354 3.658 30 20 BHED CCCCCCC(C)=NNc1ccc(OC)cn1 780275992 IOVKKFZEKOMTPD-UHFFFAOYSA-N 249.358 3.848 30 20 BHED CC(C)C1CCC(=NNc2ccnc(F)c2)CC1 781134030 YYYKPZMNDMQDAC-UHFFFAOYSA-N 249.333 3.835 30 20 BHED Cc1cc(C(=O)/C=C\c2ccc(Cl)cc2)no1 791431187 HHJPDDAJQDJLRZ-DAXSKMNVSA-N 247.681 3.533 30 20 BHED C=CCC1(C(=O)OCc2cccc(C)c2)CCC1 791561075 UNFDXUJZRPUFEK-UHFFFAOYSA-N 244.334 3.785 30 20 BHED CC[C@H]1CCCCC1=NN[C@@H](C)C(C)(C)C 793114047 JAFYDXUVTKYOAN-RYUDHWBXSA-N 224.392 3.967 30 20 BHED CCC[C@@H](C)C(CC)=NNc1ncccc1F 794985565 UBEXHIGLEZNHDO-SNVBAGLBSA-N 237.322 3.835 30 20 BHED CCCC(=NOC1CCC1)c1ccccc1 812235978 FKVBXRRNHMHPQZ-UHFFFAOYSA-N 217.312 3.760 30 20 BHED CCc1ccccc1NN=C1CC[C@H](C)C1 814801187 AAVYUJCGRLWDED-NSHDSACASA-N 216.328 3.837 30 20 BHED Fc1cccc(C=NOCc2ccccc2F)c1 824206272 RQDXDIGKHCLEKA-UHFFFAOYSA-N 247.244 3.516 30 20 BHED CC(CC(C)(C)C)=NNc1ccc2[nH]ncc2c1 834974143 UHAACBDEDARYOY-UHFFFAOYSA-N 244.342 3.787 30 20 BHED C=C(C)CCC(=O)N([C@H](C)CC)[C@H](C)CC 1337474838 IUWGGUWHLLYMMB-CHWSQXEVSA-N 225.376 3.768 30 20 BHED C=C(CC(C)C)C(=O)N1CC[C@H]1c1ccccc1 1350901145 WNKDBLWDMITENT-HNNXBMFYSA-N 243.350 3.562 30 20 BHED Cc1cc(Cl)cc(C#N)c1OCC1CCC1 1559427579 SPBWWMJNFPHXLE-UHFFFAOYSA-N 235.714 3.699 30 20 BHED C#Cc1cccc(NCc2ccc(C)s2)c1 20085185 QHKIBBBTEMXQHS-UHFFFAOYSA-N 227.332 3.650 30 20 BHED N#Cc1ccccc1NCc1ccc2c(c1)CCC2 70197061 ZBAMJIOJGRANCS-UHFFFAOYSA-N 248.329 3.659 30 20 BHED C[C@H]1C[C@H](c2cccc(F)c2)N(CCCC#N)C1 75842795 UKAZKYHVZQYCMF-SWLSCSKDSA-N 246.329 3.512 30 20 BHED C[C@@H]1CC[C@H](Nc2ccc(CC#N)cc2)[C@H](C)C1 85097832 CLSSUNMUTPZRPT-IOASZLSFSA-N 242.366 3.989 30 20 BHED N#Cc1ccc(NCc2cc(Cl)cs2)cc1 86332123 TYDRSTPVKJKCJY-UHFFFAOYSA-N 248.738 3.885 30 20 BHED C=CCCNc1ccc(C#N)c(C(F)(F)F)c1 88191629 YRAXUXSISGATKW-UHFFFAOYSA-N 240.228 3.565 30 20 BHED C=CCCC(=O)N1CCC[C@H]1C1CCCCC1 102234681 ZNCJVKSTGMLFBV-AWEZNQCLSA-N 235.371 3.524 30 20 BHED CC#CCCS[C@@H](C)c1ccc(C#N)cc1 154940877 GCSFHYZRYAUWTE-LBPRGKRZSA-N 229.348 3.766 30 20 BHED CCCCCCCN(C)Cc1cnc(C)s1 172651314 IWVSTQFIHJYBRZ-UHFFFAOYSA-N 240.416 3.854 30 20 BHED C=C(C)CSCc1nc(C)c(C)s1 176407139 UZCKDYRSGGTEAG-UHFFFAOYSA-N 213.371 3.569 30 20 BHED N#Cc1ccc(CNCCC2=CCCCCC2)o1 185406756 VHGJFUYWRLUXPY-UHFFFAOYSA-N 244.338 3.521 30 20 BHED C=CCC1(C(=O)NCC2(CC(C)C)CC2)CCC1 189246325 GBIUKYKXQNXBMB-UHFFFAOYSA-N 249.398 3.675 30 20 BHED C=C[C@](C)(CC)C(=O)N1CCC[C@H]2CCCC[C@@H]21 191806940 GBLPUGONMGBPMW-IJEWVQPXSA-N 249.398 3.770 30 20 BHED Cc1cccc(/C=C\C(=O)c2ccc(C)o2)c1 209436755 XOMMGGILAYGIBB-FPLPWBNLSA-N 226.275 3.793 30 20 BHED C#CCCCCN[C@H](c1ccc(C)cc1)C1CC1 223186049 YGKASNADOZXBGX-QGZVFWFLSA-N 241.378 3.839 30 20 BHED N#CCCOc1ccc(SC(F)(F)F)cc1 285141718 OEXHKJUOHCQPJV-UHFFFAOYSA-N 247.241 3.591 30 20 BHED Cc1cccc(C)c1[C@H](C)OC(=O)CCCC#N 291687651 JMLHCSACAUHVLK-ZDUSSCGKSA-N 245.322 3.602 30 20 BHED C=CCC[C@@H](CC)N[C@H](C)CCC1CC1 309172602 LSCHQWYFILVJDP-TZMCWYRMSA-N 209.377 3.900 30 20 BHED C=C(CC)CNC(C)(C)c1cccc(F)c1 309356253 AFQDDKDLZFQOKG-UHFFFAOYSA-N 221.319 3.617 30 20 BHED CC[C@H](NCC1(C#N)CC1)c1ccc(Cl)cc1 343565844 RHWMVJZVADWVSO-ZDUSSCGKSA-N 248.757 3.684 30 20 BHED Cc1ccc([C@@H]2CCC[C@H]2NCCCC#N)cc1 346823695 HOEKUWCEGYVPRB-JKSUJKDBSA-N 242.366 3.525 30 20 BHED C=CC[C@@H](C)NC(=O)c1ccccc1C(C)(C)C 433772035 WPJHZWVESYWJJO-GFCCVEGCSA-N 245.366 3.679 30 20 BHED C=CCN1CC[C@@](C)(CCc2ccccc2)C1 434909812 QMPQXSLRWXHHAU-MRXNPFEDSA-N 229.367 3.517 30 20 BHED CC(C)(C)CSCc1ccc(F)cc1C#N 440584055 UROROJVTFGXVCX-UHFFFAOYSA-N 237.343 3.977 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](CCO)C(C)(C)C 453188467 BWAYOZUAGLMALH-KGLIPLIRSA-N 241.419 3.508 30 20 BHED C=CCN1CCC[C@@H]1c1cc(C)ccc1C 474234795 SPWXPWWEIDWZSN-OAHLLOKOSA-N 215.340 3.626 30 20 BHED C=C(C)CN(CC)Cc1cc2ccc(F)cc2[nH]1 488326916 LPMHOQZXGYGFGQ-UHFFFAOYSA-N 246.329 3.705 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@H](CCOC)C(C)(C)C 511055223 WQUFPLXIBCIMBF-BFHYXJOUSA-N 241.419 3.628 30 20 BHED Cc1cccc2c1CC[C@H]2Nc1ccc(C#N)cc1 517874471 WWKBZOZTDLDAPC-QGZVFWFLSA-N 248.329 3.966 30 20 BHED C=CCCCCSc1n[nH]c(C(C)(C)C)n1 562534964 VWHWMYHAVRPNQQ-UHFFFAOYSA-N 239.388 3.551 30 20 BHED C=CCCCCN1CCC[C@H]1c1c(C)n[nH]c1C 580277857 IQZYPQBMEPNZPT-AWEZNQCLSA-N 247.386 3.520 30 20 BHED Cc1ccc(/C=C\C(=O)c2ccccc2C#N)cc1 588618307 MCQZGIFIICTPTJ-KHPPLWFESA-N 247.297 3.763 30 20 BHED CC[C@H](N[C@H](C)c1cccc(C#N)c1)[C@H]1C[C@H]1C 591239787 WGXJKNKPWAFBQC-MPTQWLOMSA-N 242.366 3.643 30 20 BHED C=CCCN1CCC[C@H]1c1ccc(C)cc1 606896277 GIXWQPRLGGMBPZ-HNNXBMFYSA-N 215.340 3.708 30 20 BHED C=CCN(C(=O)C[C@H](C)CCC)C(C)(C)C 622943544 GYGBGYXLLMGZPA-GFCCVEGCSA-N 225.376 3.626 30 20 BHED N#CC1(C(=O)OCCCC2CCCCC2)CCC1 735990440 KRPALGNFNKGTQF-UHFFFAOYSA-N 249.354 3.584 30 20 BHED N#Cc1ccccc1SCC(F)(F)C(F)F 743454135 GBPJRQANYWEHOC-UHFFFAOYSA-N 249.232 3.551 30 20 BHED C#CCCN(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 760840327 DSQBNCDLSSIWNO-IRXDYDNUSA-N 241.378 3.586 30 20 BHED C#CCCN[C@H](c1ccc(F)cc1)C(C)(C)C 764236686 XTMRCZHHONGQAT-CQSZACIVSA-N 233.330 3.526 30 20 BHED CC1=CCC[C@H](C)[C@@H]1C=NOC1CCCC1 774597265 STUWDOLGLBXBIW-GXTWGEPZSA-N 221.344 3.924 30 20 BHED C[C@H]1CCCC[C@H]1C=NNc1cccc(C#N)c1 783821009 JMFWXCOBMFOLSV-JSGCOSHPSA-N 241.338 3.782 30 20 BHED CC(CCCC(C)C)=NOCCOC(C)C 812239167 OAJIZJKUNKHVME-UHFFFAOYSA-N 229.364 3.630 30 20 BHED CC(C)CCCCC(=O)O[C@H](C)C(C)(C)C#N 838820527 HDQCIYRPPRXIDS-GFCCVEGCSA-N 239.359 3.684 30 20 BHED FC(F)c1cccc(CON=CC2CC2)c1 853735062 NOLWMWBGIUVDKP-UHFFFAOYSA-N 225.238 3.537 30 20 BHED CC(C)[C@@H](C#N)C=NNc1ccccc1Cl 1253449557 NQILPTMECQQBOQ-JTQLQIEISA-N 235.718 3.533 30 20 BHED Cc1c(Cl)cnc(N[C@]2(C)CC2(C)C)c1C#N 1307171912 YAFAGWJYMLKPJA-CYBMUJFWSA-N 249.745 3.516 30 20 BHED C=C(C)CCC(=O)N(C)Cc1c(C)cccc1C 1347365174 VULNHUYIZOXCPZ-UHFFFAOYSA-N 245.366 3.618 30 20 BHED CC(C)CCNc1nc(C(C)(C)C)ccc1C#N 1641982683 LEBXCXUVTSPQQF-UHFFFAOYSA-N 245.370 3.709 30 20 BHED COc1ccc(C#N)cc1N[C@@H](C)CCC(C)C 1658799940 RPNNLXJXAJFGAL-LBPRGKRZSA-N 246.354 3.803 30 20 BHED N#Cc1ccccc1CSc1ccccc1O 50046654 SENSYVYQDXARAK-UHFFFAOYSA-N 241.315 3.556 30 20 BHED CC[C@H](C)C[C@@H](C)NCc1cc(C#N)cs1 86500347 KNDXGACFZFTYKG-WDEREUQCSA-N 236.384 3.534 30 20 BHED C[C@H](CNc1cccc(F)c1C#N)C(C)(C)C 96609761 SZCWEARIJZDYMJ-SNVBAGLBSA-N 234.318 3.791 30 20 BHED C=CCN(C(=O)C1CCCCC1)c1ccccc1 97008591 SSPCCSQNLFLXIR-UHFFFAOYSA-N 243.350 3.786 30 20 BHED C=CCCCCCN(C)C(=O)CC1CCCC1 156778996 YFLCYEQGPQFROH-UHFFFAOYSA-N 237.387 3.772 30 20 BHED CC1(C)CCC/C(=C/c2cccc(C#N)c2)C1=O 158995856 QXXJFDVGCLZVCX-UVTDQMKNSA-N 239.318 3.721 30 20 BHED CC[C@@H](NCc1cc(C#N)cs1)C(C)(C)C 165161332 QJGPYWFEBDFDKP-GFCCVEGCSA-N 236.384 3.534 30 20 BHED C=CCCN(C)[C@@H](C)c1nc2ccccc2s1 172619690 KSMFJKUEJPMIDI-NSHDSACASA-N 246.379 3.865 30 20 BHED N#CCCCCN[C@@H]1CCCCc2ccccc21 177446252 ZBWMCBOCNFRQEG-MRXNPFEDSA-N 242.366 3.738 30 20 BHED C=C[C@H](CC(=O)NCC(C)(C)C)c1ccccc1 179091888 QTBYTBXZZKKYMQ-CYBMUJFWSA-N 245.366 3.509 30 20 BHED C[C@@H](C#N)Oc1ccccc1N[C@H](C)CC1CC1 180204418 JVJXKQQRBIDJOR-NEPJUHHUSA-N 244.338 3.578 30 20 BHED C=CCN[C@@H](C)c1oc2ccc(OC)cc2c1C 184332014 DCRFGIPCEPLSKF-NSHDSACASA-N 245.322 3.586 30 20 BHED CC(C)(C#N)CCN1CCC[C@@H]2CCCC[C@H]21 227834621 SPFQLPXQRMZHEK-UONOGXRCSA-N 234.387 3.581 30 20 BHED N#Cc1cccc(SCC2CCCC2)c1 229754491 RVHGMAIDJSVVOL-UHFFFAOYSA-N 217.337 3.841 30 20 BHED CCCC[C@H](CC)CNc1nc(C)ccc1C#N 233051715 OYELKJCDHJWTIS-ZDUSSCGKSA-N 245.370 3.890 30 20 BHED C=CCC[C@H](C)N[C@@H]1CC[C@H](C)[C@H](C)C1 252807550 IVYQEUQAWDULLY-RFQIPJPRSA-N 209.377 3.755 30 20 BHED Cc1ccc(/C=C\C(=O)c2ccncc2)c(C)c1 255548933 BSQDPBSHWRLLOC-WAYWQWQTSA-N 237.302 3.595 30 20 BHED N#Cc1cc(Cl)ccc1N1CCCC2(CC2)C1 302291141 WNUCPXBRNPEZCI-UHFFFAOYSA-N 246.741 3.592 30 20 BHED C=CCCCNc1ccc(C2CC2)cc1 308838243 JALOZRWOSFDIJM-UHFFFAOYSA-N 201.313 3.942 30 20 BHED C=CC(C)(C)CNCc1ccnc2ccccc12 385055959 SDZHBHDAIOJUMJ-UHFFFAOYSA-N 240.350 3.537 30 20 BHED CC[C@H](C)C[C@H](C)NCc1ccc(C#N)c(F)c1 404091100 UGSUDRHVZDAMOI-RYUDHWBXSA-N 248.345 3.612 30 20 BHED C=C(C)C(C)(C)C(=O)NCc1ccc(C)cc1C 424575097 VQYMEUIGMWSNPI-UHFFFAOYSA-N 245.366 3.522 30 20 BHED C=CCN(Cc1ccc(Cl)cc1F)C1CC1 437980617 RSBHJLJYNULZBS-UHFFFAOYSA-N 239.721 3.630 30 20 BHED C=CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 467057004 HKQUZUWZEFXROP-RRFJBIMHSA-N 249.398 3.627 30 20 BHED CC(C)C[C@H]1CCC[C@@H](NCCCCC#N)C1 474726796 HWOCTLPXPRLYGK-HUUCEWRRSA-N 236.403 3.875 30 20 BHED CC#CCCOc1cc(C)cc2ccc(C)nc12 479422450 ZIVZTPXQJHPBPE-UHFFFAOYSA-N 239.318 3.644 30 20 BHED C=CCCCC(=O)N[C@H](c1ccccc1)C(C)C 479891450 ZXTZNDHLNZVPQZ-INIZCTEOSA-N 245.366 3.856 30 20 BHED C=CCCCCSCCOCC(F)(F)F 518142808 FAKNJSRADLJJOP-UHFFFAOYSA-N 242.306 3.655 30 20 BHED C=CC[C@H](C)N[C@H](Cc1ccc(F)cc1)C(C)C 539073661 OUVCSCNTSYMXKD-XJKSGUPXSA-N 249.373 3.947 30 20 BHED C=CCCN1C[C@H](c2ccc(C)cc2)C[C@@H]1C 549037305 LJFSXZPEMMBXMP-GOEBONIOSA-N 229.367 3.749 30 20 BHED CC(C)=CCC[C@H](C)CCNCC1(C#N)CC1 563854028 RDIMFUYIDUGQAZ-AWEZNQCLSA-N 234.387 3.652 30 20 BHED Cc1ccc(CON=Cc2cccs2)cc1C 588593159 QNQUCZMHWGNPPZ-UHFFFAOYSA-N 245.347 3.916 30 20 BHED CC(C)c1cccc(CNCCCCC#N)c1 596055408 JETPWIZQDHPRJL-UHFFFAOYSA-N 230.355 3.593 30 20 BHED Cc1ccc(NC[C@H](C)CCC#N)cc1C 602495472 VMCAJLGZYRMTOP-LLVKDONJSA-N 216.328 3.655 30 20 BHED C=CCC1(NC(=O)CC2=CCCCC2)CCCC1 619104780 WHKAYYDNNIHIOG-UHFFFAOYSA-N 247.382 3.882 30 20 BHED C=CCC(CC=C)C(=O)NC(C(C)C)C(C)C 676330983 LPJTYTVPWATIGZ-UHFFFAOYSA-N 237.387 3.552 30 20 BHED CCCC[C@@H]1CCCC1=NNc1ccccn1 727253796 KIWVDLNOPZMIRE-GFCCVEGCSA-N 231.343 3.840 30 20 BHED C#C[C@H](CC)NC(=O)[C@@](C)(CC)CCCCC 754394218 SZDXNCAOASHLBF-HIFRSBDPSA-N 237.387 3.511 30 20 BHED CC(CC1CC1)=NNc1cc(F)c(F)cc1F 756828747 HNRMZJYRJDAWEL-UHFFFAOYSA-N 242.244 3.692 30 20 BHED CCON=C1C[C@@H](c2ccccc2)C1(C)C 768484437 ZZECKKWZQHAVAJ-LBPRGKRZSA-N 217.312 3.593 30 20 BHED Oc1ccccc1/C=N\[C@H]1CC12CCCCC2 770567519 DYQHUINTBGPCDW-HNDQUVLASA-N 229.323 3.534 30 20 BHED C(CCc1ccccc1)=NOC1CCCCC1 777460576 YWQDESUAHQPQCD-UHFFFAOYSA-N 231.339 3.954 30 20 BHED C=CC[C@H](C)C(C)=NNc1cc(Cl)ccn1 777905907 CASDJGIXWIGBLF-VIFPVBQESA-N 237.734 3.735 30 20 BHED CCCC(CCC)=NNC1CCCCC1 786040577 OXRKWYCSNWTRNH-UHFFFAOYSA-N 210.365 3.865 30 20 BHED CC[C@H](C)CON=CCc1cccc(Cl)c1 793163132 GCQSFKMVFUFVLB-NSHDSACASA-N 239.746 3.931 30 20 BHED CC[C@@H](C)CON=Cc1cccc2[nH]ccc12 793163320 IVXZZTNPZVAYAX-LLVKDONJSA-N 230.311 3.565 30 20 BHED C=CCCCCCCNC(=O)C(C)(C)C(F)F 805219933 BLQFGTYGRLGFCC-UHFFFAOYSA-N 247.329 3.530 30 20 BHED CC(CCc1ccccc1)=NOC/C=C/Cl 811670319 PJGGWQMYVHNOPS-UAMACOCHSA-N 237.730 3.764 30 20 BHED CC(C)=CCCC(C)=NOCCOC(C)C 812238155 NVYKABKFPQSHRP-UHFFFAOYSA-N 227.348 3.550 30 20 BHED C[C@@H]1CCC(=NN[C@H](C)c2ccncc2)[C@H](C)C1 819816624 MFBHYGUTZUJWJB-JHJVBQTASA-N 245.370 3.544 30 20 BHED CCCCCCCCCNC(=N)NC(C)(C)C 849053169 IDOMYXONVXADLU-UHFFFAOYSA-N 241.423 3.649 30 20 BHED CC(=NN[C@H](C)c1ccccc1)c1ccc(C)o1 920386168 SQABLJTVBBGMQF-GFCCVEGCSA-N 242.322 3.663 30 20 BHED C=CCOC(=O)c1ccc(-c2ccccc2)s1 1116074813 PYEXHRUVCDOSMD-UHFFFAOYSA-N 244.315 3.758 30 20 BHED C=CC[C@@H]1CC[C@H](Nc2cccc(C(=O)O)c2)C1 1602851660 SQGBEIANNHCBAT-RISCZKNCSA-N 245.322 3.542 30 20 BHED CC[C@@H]1CCCC[C@@H]1N(C)C[C@@H](C)CCC#N 1659135532 WJXAZTBXZDKOOA-ZNMIVQPWSA-N 236.403 3.827 30 20 BHED N#Cc1ccccc1CSCc1ccco1 26513472 JTUSGHKJQDEFMJ-UHFFFAOYSA-N 229.304 3.585 30 20 BHED C=C(C)COc1ccc(Br)c(F)c1 83576948 ZMTLKDIJQRKFFK-UHFFFAOYSA-N 245.091 3.543 30 20 BHED C[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2)CC1 86887794 LAXDFBPMXQHUFH-XJKSGUPXSA-N 242.366 3.617 30 20 BHED C=CCCc1csc(-c2ccccc2N)n1 90065492 WQOYUZVZXMADPC-UHFFFAOYSA-N 230.336 3.511 30 20 BHED CC[C@@H]1CCC[C@H](Nc2snc(C)c2C#N)C1 92912586 VCZFVMPKABEBDU-MNOVXSKESA-N 249.383 3.704 30 20 BHED CCCCCCCC(=O)N(C)c1cccc(C)n1 118623800 IYQUAJBLBNZXCU-UHFFFAOYSA-N 248.370 3.713 30 20 BHED C=CCNc1ccc(CCC(F)(F)F)cc1 133747840 JNJXOPMSAWLGJR-UHFFFAOYSA-N 229.245 3.779 30 20 BHED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C(C)C 150727220 PRRCKKAAEJMFFA-OAHLLOKOSA-N 249.398 3.792 30 20 BHED CCCC1(CN[C@H](C)c2ccc(C#N)cc2)CC1 160773840 AMQXLEYMMJCGQC-CYBMUJFWSA-N 242.366 3.789 30 20 BHED C#CCCCC(=O)NCC(C)(C)C1CCCCC1 192165599 YSRCRPXSWNAWDU-UHFFFAOYSA-N 249.398 3.513 30 20 BHED Cc1ccc(/C=C\C(=O)c2cccc(O)c2)s1 213695799 DPNXXFZMUWTYNT-FPLPWBNLSA-N 244.315 3.658 30 20 BHED N#CCC1(CNc2cc(F)cc(Cl)c2)CC1 230009242 VOOCBQHZYMGMCJ-UHFFFAOYSA-N 238.693 3.585 30 20 BHED N#CCCOc1ccc(C2CC2)cc1Cl 296294955 RTKNHKIPCYYOOV-UHFFFAOYSA-N 221.687 3.510 30 20 BHED CC1(C)CCC[C@@H]1Nc1ccc(Cl)c(C#N)n1 301564276 PNMVTQZOPWAHCD-NSHDSACASA-N 249.745 3.597 30 20 BHED CCCC[C@H](C)N(C)Cc1ccc(F)c(C#N)c1 311193914 FNHFCKJBRGLLPH-LBPRGKRZSA-N 248.345 3.708 30 20 BHED C=CCC[C@@H](CCC)N[C@@H]1CCC1(C)C 380356864 WZSYRXDMUUIALS-CHWSQXEVSA-N 209.377 3.900 30 20 BHED C/C(=C/Cl)CSCCCCC#N 388493457 IMYNSDWIEXOWRW-CLFYSBASSA-N 203.738 3.556 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@H](CC)CC(C)C 410772903 ARSWKZCLWILQQJ-ZIAGYGMSSA-N 237.387 3.626 30 20 BHED C=C(C)C(C)(C)C(=O)N1C[C@H](C)CCC[C@@H]1C 425514979 RLGAAYZVCQVNNF-OLZOCXBDSA-N 237.387 3.626 30 20 BHED C[C@@H]1CCC[C@@H](CCN(C)CC(C)(C)C#N)C1 433301768 WDTKSPSHSCUAJY-KGLIPLIRSA-N 236.403 3.684 30 20 BHED C=C(CC)CN[C@@H](c1ncc[nH]1)C1CCCCC1 453337414 ALYAVVMAIPXTNE-CQSZACIVSA-N 247.386 3.587 30 20 BHED C=CC[C@H](C)N[C@H]1CC[C@H](Cc2ccccc2)C1 525869492 NRLPVDLTLDAXRN-UAGQMJEPSA-N 243.394 3.952 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1cc(C)ccn1 552063931 RXIYKKSFVMOEFE-KBPBESRZSA-N 232.371 3.785 30 20 BHED C=CCCCCSC[C@@H](CC)OC 567363811 DLKDNKLRQYXMOA-LLVKDONJSA-N 202.363 3.501 30 20 BHED CCC[C@H]1CCCC[C@H]1Nc1cccc(C#N)n1 609893029 YDXFWIXQCQKTBS-GXTWGEPZSA-N 243.354 3.724 30 20 BHED CCC[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 611465490 KDSMZDSQKNSGOP-MNOVXSKESA-N 234.318 3.537 30 20 BHED CC#CCOC(=O)C[C@H](C)CCCCCC 744943919 KRYVYBUDXGUGOW-CYBMUJFWSA-N 224.344 3.550 30 20 BHED C=CC[C@H](C)N[C@H]1C[C@@H](C)c2c(F)ccc(O)c21 756713897 WGXXQBUILRSSBQ-SCVCMEIPSA-N 249.329 3.634 30 20 BHED C=CCN(Cc1cc2ccccc2o1)C(C)C 767891138 QNQYUNSAWIZMPL-UHFFFAOYSA-N 229.323 3.829 30 20 BHED CC#CCCCC(=O)OCc1ccc(C)cc1C 770122511 AYJZMCNCRRKTMM-UHFFFAOYSA-N 244.334 3.540 30 20 BHED CCCCCCN[C@H](C)c1ccc(C#N)c(F)c1 776726352 WOQJQOMQVSYEEP-GFCCVEGCSA-N 248.345 3.928 30 20 BHED CC[C@@H](C)NN=C1CC(c2ccccc2C)C1 790183101 OBAZGZXSHOLSFS-PZORYLMUSA-N 230.355 3.617 30 20 BHED Clc1cccnc1NN=C1CCC2(CC1)CC2 792629365 KQPRVKLTFSOLBU-UHFFFAOYSA-N 249.745 3.857 30 20 BHED C=CCNN=C1CC=C(c2ccc(F)cc2)CC1 794997926 CUMGDCAMQKLGKE-UHFFFAOYSA-N 244.313 3.525 30 20 BHED C#CCCCN[C@H](CCC(C)C)c1ccoc1 796778626 YUTKNUDRTVKCHY-OAHLLOKOSA-N 233.355 3.760 30 20 BHED CCCCCCCC(=O)NCCSC(C)C 805224268 QLIQYPMTPAOROC-UHFFFAOYSA-N 245.432 3.605 30 20 BHED C#Cc1ccc(CNc2cc(C)ccc2C)cc1 809598888 XIELYGNMKWJDEV-UHFFFAOYSA-N 235.330 3.897 30 20 BHED Cc1cccc(CC(=NOC2CCC2)C2CC2)c1 812237220 PUSYWOWLQAYLAO-UHFFFAOYSA-N 243.350 3.873 30 20 BHED C=C[C@H](CC)CC(=O)N1CC2(CCC2)[C@H]1C(C)C 820216177 PLECWNSBBAQESF-UKRRQHHQSA-N 249.398 3.626 30 20 BHED CC[C@@H]1CCCC[C@H]1N(C)CC1(CC#N)CC1 1645303197 IPADLZDHPFBCLJ-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED C[C@H]1CCC[C@@H](CNC[C@H](C)CCC#N)[C@H]1C 1659009262 JFYOTVOJDYQKLR-QPSCCSFWSA-N 236.403 3.588 30 20 BHED C=CCOc1ccccc1CN[C@H](C)CC1CC1 70101543 HPSPDKYWIDEFJG-CYBMUJFWSA-N 245.366 3.530 30 20 BHED N#Cc1cccc(CSc2cccc(F)c2)c1 84505185 XFMPOHUKBBGXEL-UHFFFAOYSA-N 243.306 3.990 30 20 BHED C=CCCN[C@@H]1CCCC[C@@H]1C(C)(C)C 125395745 DECSCWYUNBPBAW-QWHCGFSZSA-N 209.377 3.757 30 20 BHED C=CCC[C@H](CC)N[C@@H](C)c1cccc(O)c1 126628636 NJIABVMPFDXRAG-JSGCOSHPSA-N 233.355 3.788 30 20 BHED CC(C)CC[C@H](C)NCc1ccc(C#N)s1 135494605 YMMFRZJUBWPJFP-NSHDSACASA-N 236.384 3.534 30 20 BHED C=CC[C@@H](C)NCc1ccc(C2CC2)cc1 169118585 XWKYOPBKDLXLJS-GFCCVEGCSA-N 215.340 3.618 30 20 BHED CC(C)[C@@H](C)N(Cc1ccc(C#N)s1)C1CC1 179496408 FGBRACRZIZNIEJ-LLVKDONJSA-N 248.395 3.629 30 20 BHED C=C(C)[C@@H](NCCCF)c1ccc(F)c(F)c1 187788876 XWBHNSRWMQCWIJ-CYBMUJFWSA-N 243.272 3.531 30 20 BHED C=CCC1(C(=O)NCCCC(C)(C)C)CCC1 187967585 VXGJRKPRIMAKCB-UHFFFAOYSA-N 237.387 3.675 30 20 BHED N#CCCCS[C@H]1CCc2ccc(F)cc21 190965415 IWYDUFHLERGEPI-ZDUSSCGKSA-N 235.327 3.850 30 20 BHED C[C@H](NC[C@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 230407532 KLAFFTSSGREAMS-IPYPFGDCSA-N 242.366 3.645 30 20 BHED C=CCCC[C@@H](C)N[C@H](CC)c1nccs1 336749373 YUNCGQIKHFDOSS-VXGBXAGGSA-N 238.400 3.929 30 20 BHED C=CCCC[C@@H](C)NCc1cn(C(C)C)nc1C 341374289 LEZBMEJAJKWUDQ-CYBMUJFWSA-N 249.402 3.607 30 20 BHED C=CC[C@H](CC)Nc1ncnc2oc(C)c(C)c12 344550636 KKPHJMRTCBZGMA-NSHDSACASA-N 245.326 3.606 30 20 BHED C=C(C)CN(C)Cc1c(C)oc2ccccc12 353161161 BJHILTGIHPOHJV-UHFFFAOYSA-N 229.323 3.749 30 20 BHED Cc1ccccc1[C@@H](C)NCC(C)(C)CC#N 414166606 NXQDBHQCRCGQRT-CYBMUJFWSA-N 230.355 3.586 30 20 BHED C=CCCCC[C@H](C)NCc1cc(C)cc(N)c1 423487852 XWFAZDVECNDKRR-AWEZNQCLSA-N 246.398 3.802 30 20 BHED CC(C)CC[C@@H]1CCC[C@H]1N[C@@H]1CC[C@H](C#N)C1 424321104 GREGSLVVMTWMML-CAOSSQGBSA-N 248.414 3.873 30 20 BHED C=C[C@H](C)NCc1cc(OC)c2ccccc2c1 449196656 YSPHLICRYYMLLQ-LBPRGKRZSA-N 241.334 3.513 30 20 BHED CC(C)=CCC[C@H](C)N[C@H]1CCC[C@H](C#N)C1 449443040 OWEFRZZXVPWFHS-KKUMJFAQSA-N 234.387 3.793 30 20 BHED C=CCC(C)(C)C(=O)N[C@H](C)CC(C)(C)C 457183104 ALFIMPSAOPNAQM-LLVKDONJSA-N 225.376 3.530 30 20 BHED C=CCN(Cc1cccc(C#N)c1)C[C@@H](C)CC 480719022 QWHOWLWBMCYGPG-AWEZNQCLSA-N 242.366 3.592 30 20 BHED C=C(C)CCc1noc(/C=C2\CC[C@H](C)C2)n1 508596641 UJJOQYRFQYYYRJ-UTEVDWOZSA-N 232.327 3.782 30 20 BHED C=CCCN1CCC(c2ccccc2F)CC1 525328812 NKPRMCDORKTYNL-UHFFFAOYSA-N 233.330 3.581 30 20 BHED C=CCCCCN(C)C1CCC(F)(F)CC1 556258974 GTGHQSRMVZYMGM-UHFFFAOYSA-N 231.330 3.852 30 20 BHED C=CCN(CC=C)C/C=C\c1ccc(F)c(F)c1 583467040 JCNNSRBQPCYDQJ-WAYWQWQTSA-N 249.304 3.652 30 20 BHED CC[C@H](SCC#CCOC)c1ccccc1 611193160 SXFQKXROTRYEGS-AWEZNQCLSA-N 234.364 3.521 30 20 BHED C#C[C@@H](N[C@H](C)CCCC(F)(F)F)C(C)(C)C 702226100 AKCFOTYZKPBZGO-GHMZBOCLSA-N 249.320 3.745 30 20 BHED C=C(C)CN(c1ccc(OC)c(F)c1)C(C)C 728928539 XEDDEHBULIOBOF-UHFFFAOYSA-N 237.318 3.625 30 20 BHED C=CC1CCN(C(=O)/C=C/C2CCCCC2)CC1 735440972 PJCNKFRNPHUJTN-CMDGGOBGSA-N 247.382 3.548 30 20 BHED C=CCN(CCCOc1ccccc1C)C(C)C 742588369 KCQFQMFWVXUONS-UHFFFAOYSA-N 247.382 3.660 30 20 BHED C=CCCCC(=O)OCc1ccc(Cl)cc1 748236134 SOAWBNFORXGMBA-UHFFFAOYSA-N 238.714 3.740 30 20 BHED C=C(C)[C@H](C)OC(=O)c1c(C)[nH]c2ccccc12 756015663 XWNGMEMZQSEMDS-NSHDSACASA-N 243.306 3.598 30 20 BHED CC(C)CC(=NOCC(F)F)c1cccs1 758904836 ZBJMNIDRPUPTHF-UHFFFAOYSA-N 247.310 3.780 30 20 BHED c1ccc2c(c1)CSCC2=NOC1CCCC1 774609805 ZDIJVVSJEUQBOB-UHFFFAOYSA-N 247.363 3.597 30 20 BHED CCC(=NNc1ccnc(F)c1)c1cccs1 781128241 SWMDEZSNHHNBOF-UHFFFAOYSA-N 249.314 3.508 30 20 BHED CC[C@@H]1CC[C@@H](C)CC1=NNC1CCCC1 797402455 BUOBSQRLNUVVSA-VXGBXAGGSA-N 222.376 3.721 30 20 BHED C=CCCCCCCCCNC(=O)[C@@H]1C[C@@H]1C 805277352 APRIYIXCOMXWBC-UONOGXRCSA-N 237.387 3.675 30 20 BHED FCCC[C@@H]1CCCC1=NOC/C=C/Cl 811671071 MZRATQFUFOVDGR-AQODTKEQSA-N 233.714 3.661 30 20 BHED CC[C@H]1CCCCC1=NOCCC1CC1 814247276 ZBGKWPWMUFHACZ-LBPRGKRZSA-N 209.333 3.759 30 20 BHED COCC(=NNc1ccc(C(C)C)cc1)C1CC1 835018058 GDMCXIGXPZVPNA-UHFFFAOYSA-N 246.354 3.634 30 20 BHED C#CCC[C@@H](C)OC(=O)c1sccc1C1CC1 839038021 FGERHQIPTKXJNX-SNVBAGLBSA-N 248.347 3.584 30 20 BHED C=CCOCCSCc1ccc(CF)cc1 842176132 GUDAUWDTDRNCAD-UHFFFAOYSA-N 240.343 3.592 30 20 BHED C=C(Cl)CNc1cc(C#N)ccc1NCCC 849316562 HEOARSJVOGDEPC-UHFFFAOYSA-N 249.745 3.545 30 20 BHED c1ccc2c(c1)CC[C@H]2CCON=C1CCC1 853669716 NRVGUTUXXBKCLK-ZDUSSCGKSA-N 229.323 3.663 30 20 BHED Cc1oncc1CSCCCC(C)(C)C#N 853788368 WJXBZWJRUIMMHR-UHFFFAOYSA-N 238.356 3.546 30 20 BHED CCCCCCCSCC1(C)COC1 853790794 VDZHCCOZEGFSKS-UHFFFAOYSA-N 216.390 3.727 30 20 BHED CCCCCCCCC(=O)N1CC[C@H]2C[C@@H]2C1 856059343 QODYIEHUAHIGCH-UONOGXRCSA-N 237.387 3.605 30 20 BHED CCCCCCCCCN(C)C(=O)[C@@H]1C[C@H]1C 918397389 BNRYACNSAITGKO-ZIAGYGMSSA-N 239.403 3.851 30 20 BHED Cc1cccc2c1[C@H](NCC(C)(C)CC#N)CC2 926569701 SSBYIOSAKCGYRK-CQSZACIVSA-N 242.366 3.512 30 20 BHED CC(C)CCC[C@H](C)Nc1ncc(C#N)cc1F 1185065597 ZFXCYPLLNLVRIQ-NSHDSACASA-N 249.333 3.719 30 20 BHED C[C@H](Nc1ncccc1C#N)[C@@H]1CCC[C@@H](C)C1 1186713331 LMNWDFBAHBRDGF-FRRDWIJNSA-N 243.354 3.580 30 20 BHED CCCCCCCNc1cccc(CC#N)n1 1334938282 VTWJLGSZIJCZJH-UHFFFAOYSA-N 231.343 3.530 30 20 BHED C[C@H]1CCCC[C@@H]1COc1cccc(C#N)c1 1656180356 XMAUWHMDPXRZSL-GXTWGEPZSA-N 229.323 3.763 30 20 BHED Cc1ccc(Sc2ncccc2C#N)c(C)c1 15164477 QYHXWLBFOWIOKL-UHFFFAOYSA-N 240.331 3.721 30 20 BHED Cc1cc(C)c(C)c(Oc2ccc(C#N)cn2)c1 34938838 YWHFZIAFVFLSIU-UHFFFAOYSA-N 238.290 3.671 30 20 BHED CC[C@@H](CC#N)N[C@@H](C)c1cccc(Cl)c1 38092339 IVPFDOYVXWLSCC-GWCFXTLKSA-N 236.746 3.683 30 20 BHED C=CCN(C)Cc1csc2ccccc12 46089600 QAOYLCYBGFZYJT-UHFFFAOYSA-N 217.337 3.519 30 20 BHED C[C@H](Nc1cccc(F)c1C#N)c1ccsc1 50340537 NGAJXZCZYNOHFP-VIFPVBQESA-N 246.310 3.932 30 20 BHED CC[C@H](CC#N)N[C@H](C)c1cc2ccccc2o1 54182599 WTTQCYZLKFGNLS-DGCLKSJQSA-N 242.322 3.776 30 20 BHED N#Cc1ccc(CNCC2CCCCCC2)cc1 89559689 KNUKOMNXJOJARU-UHFFFAOYSA-N 242.366 3.618 30 20 BHED C#CCCCCNCc1ccc2ccccc2c1 150731561 PWPCRECANXNTNY-UHFFFAOYSA-N 237.346 3.733 30 20 BHED C=CCCNc1ccc(OC2CCC2)c(F)c1 176871040 ZDNGDVNCLCUFOW-UHFFFAOYSA-N 235.302 3.745 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@H](C)CCC 182602501 MZXZTKMSYHIXRM-OLZOCXBDSA-N 225.376 3.674 30 20 BHED C=CCC1(C(=O)N[C@@H](C)CCCCC)CCC1 187998195 WBMFTIQEHBCMMF-ZDUSSCGKSA-N 237.387 3.818 30 20 BHED C=CCC1(C(=O)N[C@H](C)CCC(C)C)CCC1 191688773 RUNRJMDWIGVGHN-CYBMUJFWSA-N 237.387 3.674 30 20 BHED C=CCCCCCSC1=NCCS1 195408852 OIOOAMLTVZZHKA-UHFFFAOYSA-N 215.387 3.569 30 20 BHED C=CCCCNc1ccc(C#N)cc1Cl 225235538 ZYSCCXJHIRJZBV-UHFFFAOYSA-N 220.703 3.590 30 20 BHED CC(C)[C@H]1CCCCN1c1cccc(F)c1C#N 301284750 MFZKHNYXTXZACX-CQSZACIVSA-N 246.329 3.712 30 20 BHED C=CCCCCN[C@@H](C)c1cc(C)oc1C 309229857 SPELQJPQDROAOK-LBPRGKRZSA-N 221.344 3.903 30 20 BHED Cc1cccc(Sc2ccc(C#N)c(C)n2)c1 310199404 RVXVMLHROQPFLY-UHFFFAOYSA-N 240.331 3.721 30 20 BHED C=CCCC[C@H](C)NCCCc1ccc(C)nc1 354574852 PAZOHYXAAXGUOT-AWEZNQCLSA-N 246.398 3.657 30 20 BHED CC(C)[C@H](C)SCC#Cc1ccc(F)cc1 433384996 FEIVCIJZSWVAGP-LBPRGKRZSA-N 236.355 3.955 30 20 BHED CC(C)[C@@H]1CN(CC2(C#N)CC2)c2ccccc21 447402347 IHRYMIQNSXFTHQ-AWEZNQCLSA-N 240.350 3.550 30 20 BHED C=CCC[C@@H](CCC)NCCC(C)(F)F 449354262 LMXZYTSXKNJQCV-LLVKDONJSA-N 219.319 3.756 30 20 BHED C=CC(C)(C)CNC(=O)CCCCC(C)C 457835529 UWAZFRPCWNLDNW-UHFFFAOYSA-N 225.376 3.531 30 20 BHED C=CC[C@@H](CC)N[C@H]1CCc2c(OC)cccc21 467401470 AHWIGVMSBMQHOE-DOMZBBRYSA-N 245.366 3.627 30 20 BHED C=C[C@](C)(CC)C(=O)NCC1(CCC)CCC1 467976483 CSJCXDMYBYEGAA-CQSZACIVSA-N 237.387 3.675 30 20 BHED C=C(C)CCN(Cc1cccs1)C(C)C 509260757 VQQLXHQDUAGWPJ-UHFFFAOYSA-N 223.385 3.925 30 20 BHED C=C(CC)COc1cccc(NC(=O)C(C)C)c1 539095692 RSICQRZRQJUIIC-UHFFFAOYSA-N 247.338 3.626 30 20 BHED CCCCSc1nc2c(c(C)c1C#N)CCC2 590646093 IMBKDERMVBGTKZ-UHFFFAOYSA-N 246.379 3.643 30 20 BHED CCCOc1cccc(NCC2(CC#N)CC2)c1 593931878 OCJHYVCQTCHZNA-UHFFFAOYSA-N 244.338 3.581 30 20 BHED C=C(CC)CNC(=O)[C@@H](CCCC)C(C)C 622095113 BNENFOLSSYWRSS-ZDUSSCGKSA-N 225.376 3.531 30 20 BHED C=CCCNc1ccccc1N(C)CCC 629225379 POVJQZRYTOUZCN-UHFFFAOYSA-N 218.344 3.521 30 20 BHED C=C[C@H](C)NC(=O)c1cc2cc(C)ccc2s1 685782849 ZWONYCZJYCSRBA-JTQLQIEISA-N 245.347 3.514 30 20 BHED CCC(CC)NN=Cc1ccc([C@H]2C[C@H]2C)o1 734364867 IWQZGNAKHMBLNN-MFKMUULPSA-N 234.343 3.515 30 20 BHED CCC[C@H](C)C(CC)=NNc1ccccn1 748244518 NGFGIVKYLNFOPX-NSHDSACASA-N 219.332 3.696 30 20 BHED CC(CC1CCC1)=NNCCCc1ccccc1 758371215 SXKLSXDLECOVDO-UHFFFAOYSA-N 244.382 3.775 30 20 BHED FC(F)CON=Cc1csc2ccccc12 758903607 NAKLXUYTYMDZFQ-UHFFFAOYSA-N 241.262 3.517 30 20 BHED CC(=NOC1CCCCC1)c1cc(C)oc1C 777457357 QYOZYPUBIWYYIL-UHFFFAOYSA-N 235.327 3.970 30 20 BHED C[C@H]1CCCC[C@@H]1C=NNCc1ccccc1 783813451 LRWYHTOCRQVTQL-DZGCQCFKSA-N 230.355 3.588 30 20 BHED CC(C)CCC(=NNc1ccnc(F)c1)C1CC1 802711839 CKDRRSRGUPIISJ-UHFFFAOYSA-N 249.333 3.835 30 20 BHED C#Cc1ccc(CN[C@@H](C)c2ccc(C)cc2)cc1 809608580 XPBNTGBYYFMJPH-HNNXBMFYSA-N 249.357 3.827 30 20 BHED C(CCCCOc1ccccc1)=NOC1CCC1 812237080 JHSWMVCUFVPUSX-UHFFFAOYSA-N 247.338 3.791 30 20 BHED C[C@@H](CC=NOCCC1CC1)c1ccccc1 814245980 QDVLCVZHBQWWGN-ZDUSSCGKSA-N 231.339 3.983 30 20 BHED C=CCCCCSC1=N[C@@H](C)CS1 829397214 DSXRRHCERQBRTD-VIFPVBQESA-N 215.387 3.567 30 20 BHED C=CC1CCN(CCCCC2(C#N)CCC2)CC1 929618609 LZKMLWOFYKWZBV-UHFFFAOYSA-N 246.398 3.749 30 20 BHED CCC(C)=NNc1ccc(C)c(Cl)c1 1115814345 QIHYLDJSWWKGAL-UHFFFAOYSA-N 210.708 3.846 30 20 BHED C=C(CC)C(=O)N1CC[C@H](C)C[C@H]1c1ccco1 1346246599 IOUXILATYZQLON-AAEUAGOBSA-N 247.338 3.545 30 20 BHED C=C(CC(C)C)C(=O)N[C@@H](C)c1cc(C)oc1C 1346369162 KSINQZDTOBIIBC-LBPRGKRZSA-N 249.354 3.676 30 20 BHED CCCCCCCN(C)c1ccccc1C(=O)O 1595704465 PBNOJDPMXOUCAZ-UHFFFAOYSA-N 249.354 3.791 30 20 BHED CC(C)(C)[C@H]1CCC[C@H]1Nc1cccc(C#N)n1 1651933514 YIPJYUHWNSPLNI-QWHCGFSZSA-N 243.354 3.580 30 20 BHED Cc1ccc(Sc2ccc(C#N)cn2)cc1C 19846627 RUCMCMJSMMYPOJ-UHFFFAOYSA-N 240.331 3.721 30 20 BHED Cc1ccc(NCc2cccc(C#N)c2)cc1C 19920104 BRYVCULITDMSCP-UHFFFAOYSA-N 236.318 3.787 30 20 BHED Cc1cc(C)c(C#N)c(NC2CCCCCC2)n1 22798187 VDLLOJNYIQOMCQ-UHFFFAOYSA-N 243.354 3.705 30 20 BHED C[C@@H]1CCC[C@H](N(C)Cc2ccc(C#N)cc2)C1 42240520 HKVOLPLBDCFBOS-CJNGLKHVSA-N 242.366 3.569 30 20 BHED CC(C)Cc1nc(-c2ccc(C#N)cc2)cs1 61022401 UAGHNMPMPSVBHI-UHFFFAOYSA-N 242.347 3.880 30 20 BHED C=CCCC(=O)Nc1cccc(OCC(=C)C)c1 66463015 IVRCCQOCANMTGX-UHFFFAOYSA-N 245.322 3.546 30 20 BHED Cc1ccc(SCc2ccccc2C#N)nc1 71855563 HHRVEYSUIUBARJ-UHFFFAOYSA-N 240.331 3.554 30 20 BHED N#CCN(Cc1cccc(Cl)c1)C1CCCC1 78003522 VLVGADWGCXHHNL-UHFFFAOYSA-N 248.757 3.608 30 20 BHED C=C(CC)CNc1ccc(OC(F)F)cc1 85057323 CGWYRARBJNAICU-UHFFFAOYSA-N 227.254 3.666 30 20 BHED N#CCC1(CSc2ccc3c(c2)CCC3)CC1 88259693 HTVFABXBNVWHLB-UHFFFAOYSA-N 243.375 3.961 30 20 BHED C=CCCc1csc(-c2ccsc2)n1 90065499 JDIYJJGWKKBKED-UHFFFAOYSA-N 221.350 3.990 30 20 BHED C=CC[C@H](C)NC(=O)[C@@H](C)CC1CCCCC1 116853450 HODZSJOBWSWAOZ-STQMWFEESA-N 237.387 3.674 30 20 BHED C=CCSCc1ccccc1C(C)(C)C#N 134027158 VVVYNQWXILAHIM-UHFFFAOYSA-N 231.364 3.907 30 20 BHED C=C[C@H](C)N[C@H](C)c1cc2ccccc2o1 157295612 CUBDUVVRNDYURB-WDEREUQCSA-N 215.296 3.658 30 20 BHED Cc1cc(C#N)ccc1CN(CC(C)C)C(C)C 165463949 VUVBVIVOTGEENV-UHFFFAOYSA-N 244.382 3.733 30 20 BHED C[C@@H](C#N)Oc1ccccc1NCC1CCCC1 182581213 HXPADKHYOSKSOL-LBPRGKRZSA-N 244.338 3.580 30 20 BHED CCSCCS[C@H](C#N)C1CCCCC1 185585021 YRCSYBNGTRSACO-GFCCVEGCSA-N 243.441 3.945 30 20 BHED C=C(C)CN[C@@H](C(=C)C)c1ccc(F)c(F)c1 187793965 SQNVIERRPQAOCI-AWEZNQCLSA-N 237.293 3.748 30 20 BHED C#CCCCN[C@H]1CCCC[C@@H]1c1ccccc1 224313083 WHHUXUUDPZUPMS-SJORKVTESA-N 241.378 3.716 30 20 BHED C[C@@H]1CC[C@@H](CNc2cccc(F)c2C#N)C1 230425952 OUWXIUPEKOQBDV-GHMZBOCLSA-N 232.302 3.545 30 20 BHED Cc1ccccc1CS[C@@H]1CC[C@@H](C#N)C1 278510261 DZEXFZMIYCSFRO-TZMCWYRMSA-N 231.364 3.921 30 20 BHED CCC(C)(C)CC(=O)Nc1ccccc1CC#N 344384006 IODHESAQEIZKIZ-UHFFFAOYSA-N 244.338 3.517 30 20 BHED CCCN(Cc1ccc(F)c(C#N)c1)CC(C)C 386633613 QCKPQGLKKHIKFK-UHFFFAOYSA-N 248.345 3.565 30 20 BHED CC(C)C[C@H](C)C[C@H](C)NCC1(C#N)CCC1 418143087 OSABQXLBYZBOOP-KBPBESRZSA-N 236.403 3.731 30 20 BHED CCC(C)(C)CCn1nc(C#N)c2ccccc21 432494234 DHMBRLDTGVLLKD-UHFFFAOYSA-N 241.338 3.734 30 20 BHED C=CCCCC[C@@H](C)NCC(C)(C)C[C@@H](C)O 449161352 OPXGOTVCICBGHL-ZIAGYGMSSA-N 241.419 3.508 30 20 BHED C=CCC[C@@H](CCC)NCC(C)(C)C(C)(C)O 449714867 AIFIIQCCHQNVPL-CYBMUJFWSA-N 241.419 3.508 30 20 BHED C=CCC[C@@H](CCC)NCc1cnc(C)cc1C 449732645 CHIVLNRGDSTSQK-MRXNPFEDSA-N 246.398 3.923 30 20 BHED C=CCCC1(C(=O)N[C@@H](C)C2CCCCC2)CC1 476149082 MLVQNPBSKYTWBE-ZDUSSCGKSA-N 249.398 3.818 30 20 BHED CSCc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 564523340 XZNXHYZNKRGKHZ-RISCZKNCSA-N 246.379 3.654 30 20 BHED N#Cc1ccc(-c2cncc3ccccc23)s1 589962844 BENKCCALHSTCAE-UHFFFAOYSA-N 236.299 3.835 30 20 BHED CC[C@@H](C)CCN[C@H]1CCc2ccc(C#N)cc21 595071686 CNTMPBKJVJTFMF-WBMJQRKESA-N 242.366 3.571 30 20 BHED Cc1ccccc1[C@@H](C)N1CCC[C@H](CC#N)C1 595613175 AFQLHCYGVGAMTK-HUUCEWRRSA-N 242.366 3.682 30 20 BHED CC[C@@H](C#N)Sc1ccc(Cl)cc1C#N 601914743 XQJVMMFNEUAQOW-JTQLQIEISA-N 236.727 3.606 30 20 BHED C[C@H](CCC#N)CNc1ccc2c(c1)CCC2 602521639 PEBHKGCQNHGDEK-GFCCVEGCSA-N 228.339 3.527 30 20 BHED CCCC[C@@H]1CCC[C@@H]1NC[C@@H](C)CCC#N 602535020 LGCDUWGHSADZRH-ZNMIVQPWSA-N 236.403 3.875 30 20 BHED N#CCc1cccc(N[C@@H]2CCC23CCCC3)c1 694472642 JOPJEXWDSLXMKA-OAHLLOKOSA-N 240.350 3.887 30 20 BHED C[C@@H](CC(C)(C)C#N)NCC1(C)CCCCC1 695810164 CRLZOXYSBXFPIV-ZDUSSCGKSA-N 236.403 3.875 30 20 BHED C=C[C@H](C)NC(=O)Nc1ccc2ccccc2c1 757179815 LUZGXBCVPOTXBL-NSHDSACASA-N 240.306 3.536 30 20 BHED CC1=CCC[C@H](C)[C@@H]1C=NOCc1cccnc1 773210090 VNFUDPFYABQMSQ-DZGCQCFKSA-N 244.338 3.576 30 20 BHED C#CCCCCN[C@H]1c2ccccc2CC[C@H]1C 775416883 ZJFVCIIFUNXCIZ-RHSMWYFYSA-N 241.378 3.703 30 20 BHED C=CCCCCCCNC(=O)[C@H]1CC[C@@H](C)C1 805219260 CJRDUGXCBHSLFQ-KGLIPLIRSA-N 237.387 3.675 30 20 BHED C=CCOC(=O)[C@@H](c1ccccc1)[C@@H](C)CC 807314836 FCGMBDIDJXBVNC-GXTWGEPZSA-N 232.323 3.546 30 20 BHED C=CCCCCCCCCNC(=O)C1(C)CC1 807842933 BFMJKMISHPMVRZ-UHFFFAOYSA-N 237.387 3.819 30 20 BHED CC(C)[C@H]1CCCC1=NOC/C=C\Cl 811670021 MFPBJTLPNYXLCT-QBQVFOLUSA-N 215.724 3.568 30 20 BHED CC[C@@H](C=NOCC(C)C)c1ccccc1 814883834 CPHDWOUNMNHJAK-ZDUSSCGKSA-N 219.328 3.839 30 20 BHED CCC[C@@H](C)C(CC)=NN[C@@H](C)c1ccncc1 819816540 KUALIDBVNBLXAN-OLZOCXBDSA-N 247.386 3.934 30 20 BHED C#CCC(C)(C)c1nc(C2CCCCCC2)no1 843318124 YKVMECQMTRUYCX-UHFFFAOYSA-N 246.354 3.808 30 20 BHED CC[C@H](NC1(C2CC2)CC1)c1cccc(C#N)c1 902916072 GFGAHTAZFWAUIL-HNNXBMFYSA-N 240.350 3.542 30 20 BHED CCO[C@H]1CCCC(=NOCc2ccccc2)C1 905434934 VYDFIWUIDBUNAO-HNNXBMFYSA-N 247.338 3.538 30 20 BHED CCCn1cccc1C=NNc1cccc(C)c1 918151302 OXBGXCYXOOFXLR-UHFFFAOYSA-N 241.338 3.653 30 20 BHED Fc1ccc(NN=C/C=C\c2ccco2)cc1 920361823 ZIBSSCMIPOMOTF-WFHWUNICSA-N 230.242 3.530 30 20 BHED CCC1(Nc2ccc(Cl)c(C#N)n2)CCCC1 1307130958 YGSHMXQPYODLFA-UHFFFAOYSA-N 249.745 3.741 30 20 BHED CC(C)C[C@H]1CCCN(C[C@@H](C)CCC#N)C1 1560664372 NIIQHVVDWOFCNG-LSDHHAIUSA-N 236.403 3.684 30 20 BHED C=CCCNc1ccc(Br)c(C)c1 70591302 XZNUAXAKSCWUBH-UHFFFAOYSA-N 240.144 3.746 30 20 BHED C=CCCCN[C@@H](C)c1cccc(C)c1 88162287 BRIMFYPHRHGHQC-ZDUSSCGKSA-N 203.329 3.612 30 20 BHED N#Cc1cc(F)ccc1NCC(C1CC1)C1CC1 88457784 JIQAXBSYGDETLS-UHFFFAOYSA-N 244.313 3.545 30 20 BHED C=CC[C@@H](C)NC(=O)Nc1ccc(C(C)C)cc1 116996534 KBZVOHVHXJEREW-GFCCVEGCSA-N 246.354 3.896 30 20 BHED C=CCCCN(CCC)Cc1ccccc1O 117877098 AWNFEPYYMGYPEJ-UHFFFAOYSA-N 233.355 3.570 30 20 BHED C=CCC(CC=C)c1nc(C(C)(C)C)no1 124488774 GLMHWYVJELFVPT-UHFFFAOYSA-N 220.316 3.603 30 20 BHED C=CCCCCCN(C)Cc1nc(C)cs1 130964789 RKFQOSSQNJYHAH-UHFFFAOYSA-N 238.400 3.630 30 20 BHED C=CCCN(Cc1ccco1)Cc1cccs1 132379639 HGQWZCDWGKRNMI-UHFFFAOYSA-N 247.363 3.919 30 20 BHED C=C(C)CNC(=O)Nc1ccc(C(C)C)cc1 156088231 JASYKMPYDHHSGD-UHFFFAOYSA-N 232.327 3.508 30 20 BHED C=C(Cl)CN[C@@H](C)c1ccc(F)cc1Cl 161743443 XUGHASMOXQGDQY-QMMMGPOBSA-N 248.128 3.882 30 20 BHED C=C(Cl)CN[C@@H](CC)C[C@@H](C)CC 161753354 TXKREHPSWRSJAO-ONGXEEELSA-N 203.757 3.543 30 20 BHED C=C(C)CCOc1cc(Cl)ccc1[N+](=O)[O-] 168000189 RACPVRRRXQBVLY-UHFFFAOYSA-N 241.674 3.593 30 20 BHED CC(C)(C#N)CNCc1csc2ccccc12 168926369 CCDALEYWYWHSLW-UHFFFAOYSA-N 244.363 3.541 30 20 BHED C[C@H]1C[C@H](NCC(C)(C)CCC#N)CC[C@H]1C 168964149 BDWCVTRGXCVFPV-HZSPNIEDSA-N 236.403 3.731 30 20 BHED C=CCCCCCN(C)[C@@H](C)c1cccnc1 172654287 JYMPCNCLSIONLB-AWEZNQCLSA-N 232.371 3.821 30 20 BHED CC#CCNc1ccc(CCC(F)(F)F)cc1 182309232 ALCMTVMCARQMDD-UHFFFAOYSA-N 241.256 3.617 30 20 BHED C=CCC1(C(=O)N2CC[C@H](C)C[C@H](C)C2)CCC1 189712061 OYGIDEXUXMKGDC-KBPBESRZSA-N 249.398 3.627 30 20 BHED C=CCN(Cc1cccs1)[C@H](C)CC 195003851 LJWZYLWFODYORR-LLVKDONJSA-N 209.358 3.535 30 20 BHED C=CCCCC(=O)Nc1ncsc1C(C)C 289261039 YKHGUHZDPPVOKQ-UHFFFAOYSA-N 238.356 3.561 30 20 BHED C=CC[C@H](C)NC[C@@H](C)c1cccc(Cl)c1 309539563 FPFIWOZFXXODMF-NEPJUHHUSA-N 237.774 3.998 30 20 BHED C=CC[C@H](CC)Nc1nnc(C(C)(C)C)s1 310042793 ZSPZRFYKARKCCY-VIFPVBQESA-N 239.388 3.602 30 20 BHED Cc1nc(N[C@H](C)CCCC(C)C)ccc1C#N 311218763 TUMVNKDMCRIVBA-GFCCVEGCSA-N 245.370 3.888 30 20 BHED CCSc1ccccc1[C@@H](C)NCCCC#N 346791685 JYFCHAMLNZDESG-GFCCVEGCSA-N 248.395 3.753 30 20 BHED C=CCCCOc1cc(C)ccc1Cl 379591775 XVQOTDZQDKMSHI-UHFFFAOYSA-N 210.704 3.993 30 20 BHED C=CCCC[C@@H](C)Nc1ncc(Cl)s1 389264023 ISSYSDAWQZZWLQ-MRVPVSSYSA-N 230.764 3.953 30 20 BHED C[C@H](CCC#N)N1CCC[C@@H](c2ccccc2)C1 411759040 PLUNGMZQBISUMH-GDBMZVCRSA-N 242.366 3.558 30 20 BHED Cc1ccc(NCC#Cc2ccc(F)cc2)cc1 433435672 IVBCUUNTIVTZHG-UHFFFAOYSA-N 239.293 3.598 30 20 BHED C=C(C)CN(CC)C(=O)[C@@H]1CCC[C@H]1CCC 448684829 QDYDJYBOEYMLAO-ZIAGYGMSSA-N 237.387 3.627 30 20 BHED C=CCC1(CN[C@@H]2CCC[C@H](C#N)C2)CCCC1 449603320 GCXZGJDDJVKSQU-LSDHHAIUSA-N 246.398 3.795 30 20 BHED C=C(C)CCc1noc([C@@H]2C[C@H]2CC(C)C)n1 453187557 VVRRTHNEZVTYNQ-VXGBXAGGSA-N 234.343 3.728 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 468010813 BVOFTVDRZGEPJK-DSJMHWKBSA-N 249.398 3.674 30 20 BHED C=CCC[C@@H](CC)N[C@H]1CC(C)(C)OC1(C)C 495428278 WJLCARVZNUNWJR-OLZOCXBDSA-N 239.403 3.667 30 20 BHED CCC[C@]1(C)CCCN(CCC(C)(C)C#N)C1 538488524 JKJURCGWTFDVHN-OAHLLOKOSA-N 236.403 3.828 30 20 BHED N#Cc1ncccc1NCCC1=CCCCCC1 573972179 RNEMEXVPHKFZOA-UHFFFAOYSA-N 241.338 3.646 30 20 BHED CCC(CC)SCCOc1ccccc1C#N 604565293 LLKVCJYNKPVHSP-UHFFFAOYSA-N 249.379 3.859 30 20 BHED C=CCCCN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 605149454 GXTRJGCGNDVFDD-HIFRSBDPSA-N 221.388 3.853 30 20 BHED C=CCCN(c1ccccc1C)C(C)C 606898034 YNKHFQNHICJQAF-UHFFFAOYSA-N 203.329 3.786 30 20 BHED C=CCC1(C(=O)N[C@H](CC)C2CC2)CCCCC1 618857937 LYFSGVJVVIIRLZ-CQSZACIVSA-N 249.398 3.818 30 20 BHED C=C1CCN(CC(C)(C)c2ccccc2)CC1 678823494 SWTGLHJRZNOABD-UHFFFAOYSA-N 229.367 3.616 30 20 BHED C=CCCCN1Cc2ccccc2[C@@H](C)C1 735492079 IZRPBSHALNONFV-ZDUSSCGKSA-N 215.340 3.572 30 20 BHED CC(C)(C)CC=NNCCCc1ccccc1 755697751 ZKKFFFPELKVDSK-UHFFFAOYSA-N 232.371 3.631 30 20 BHED C#CC[C@H](NCc1ccccc1C)c1ccccc1 756995909 MGKKVDDZKSTTLH-SFHVURJKSA-N 249.357 3.849 30 20 BHED Cc1ncsc1/C=C1/CCCC(C)(C)C1=O 757534665 OAXQLKXUQLMUHP-YFHOEESVSA-N 235.352 3.614 30 20 BHED CC[C@H](C)CON=C[C@@H]1C[C@@H]1c1ccccc1 793144676 FOZGMMXANKFVEN-AEGPPILISA-N 231.339 3.839 30 20 BHED CC[C@@H](C)CON=C1CCC12CCCC2 793161024 ZILZTHAMQFISKM-LLVKDONJSA-N 209.333 3.759 30 20 BHED C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)CCCCC 797998232 CYWCNUYDZDMVRX-ILXRZTDVSA-N 239.403 3.526 30 20 BHED Cc1ccc(C=NNc2ccccc2F)cc1 812459262 UXBHXCQRPIHWJI-UHFFFAOYSA-N 228.270 3.580 30 20 BHED C[C@@H]1CCC(=NNc2c(F)cccc2F)C1 814852716 LZJQDWITWZHKBV-MRVPVSSYSA-N 224.254 3.553 30 20 BHED CC[C@@H](C)CON=Cc1ccc(SC)s1 814939808 ZUKDKJHADGKFLH-SECBINFHSA-N 243.397 3.867 30 20 BHED C=CC(C)(C)COC(=O)[C@@H]1CCCC(F)(F)C1 835720958 FLNPWGWXQMGCHS-SNVBAGLBSA-N 246.297 3.567 30 20 BHED CCCCCC[C@H](C)NCC1(C#N)CCC1 841898269 LIYXCMWHOGOGJN-ZDUSSCGKSA-N 222.376 3.629 30 20 BHED C=CC[C@@H](CC)NC(=O)c1ccccc1C(C)C 847104769 ORTIJQDXTVALCK-CYBMUJFWSA-N 245.366 3.895 30 20 BHED CCC(CCc1ccccc1)=NN[C@@H](C)CC 863107266 JTRWHPRQPCFPQZ-ZDUSSCGKSA-N 232.371 3.773 30 20 BHED CCCC1CCN([C@@H](C#N)c2ccccc2)CC1 1307508965 UPTBXUNTROFGQH-INIZCTEOSA-N 242.366 3.763 30 20 BHED C[C@@H]1CCC[C@H](Nc2cccc(CC#N)n2)CC1 1320625754 VUCXOYLMLASFGB-OLZOCXBDSA-N 243.354 3.528 30 20 BHED N#CCc1cccc(NC2CCCCCCC2)n1 1322617435 KIYZBTBRVRUALJ-UHFFFAOYSA-N 243.354 3.672 30 20 BHED C=C(CC)C(=O)Nc1ccc(COC(C)C)cc1 1519035991 CCASQXYSFKJVMM-UHFFFAOYSA-N 247.338 3.516 30 20 BHED CCCCCCCCCC(=O)NCC(C)C 2170196 JIOJLCAPGHFHDI-UHFFFAOYSA-N 227.392 3.899 30 20 BHED biogenic,in-vitro C=CCc1ccc(OCCC(C)C)c(OC)c1 2515952 KWDJRZJECQTKJT-UHFFFAOYSA-N 234.339 3.849 30 20 BHED CCC1CCC(Nc2cccc(C#N)c2)CC1 21812475 UJSHPFMFOUBLLH-UHFFFAOYSA-N 228.339 3.939 30 20 BHED C#Cc1cccc(N[C@@H]2CCCC2(C)C)c1 86855616 APFPHTQLBPJUAV-CQSZACIVSA-N 213.324 3.659 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cc(F)ccc1F 90615514 KSDCVMJCNPVWJA-UHFFFAOYSA-N 239.265 3.506 30 20 BHED C[C@H](c1ccc(C#N)cc1)N1Cc2ccccc2C1 118398691 VDDNLWVHVMWQFJ-CYBMUJFWSA-N 248.329 3.635 30 20 BHED C=CCC[C@H](NC[C@H]1Cc2ccccc21)C1CC1 120989786 LRLXBZBEVPVOQH-WBVHZDCISA-N 241.378 3.661 30 20 BHED C=CCN(C)Cc1cc(Cl)cc2cccnc12 121486839 YNCFMEMQGFGWJB-UHFFFAOYSA-N 246.741 3.506 30 20 BHED C=CCC[C@@H](NC[C@@H]1CC=CCC1)C1CC1 125302257 FOTQHWDKOIYBFQ-UKRRQHHQSA-N 219.372 3.677 30 20 BHED CC[C@@H](C#N)S[C@H](C)c1ccccc1F 127583685 UHRPSNFSPXXIAL-ZJUUUORDSA-N 223.316 3.922 30 20 BHED C[C@H](C#N)CNCC1CCC(C(C)(C)C)CC1 129887303 JJMZSQSHSMMELI-IYXRBSQSSA-N 236.403 3.588 30 20 BHED C=C(CN[C@@H](C)c1ccco1)c1ccccc1 134370258 XWZOWLIALFYGIX-ZDUSSCGKSA-N 227.307 3.644 30 20 BHED C#CCCCCNCc1cccc2ccccc12 150732845 GPUUWTLRHDYGQF-UHFFFAOYSA-N 237.346 3.733 30 20 BHED N#CCCN(Cc1ccco1)CC1CCCCC1 153076914 FLBUHPUFCFQRLH-UHFFFAOYSA-N 246.354 3.576 30 20 BHED C[C@H]1CC[C@@H](Nc2ccccc2O[C@@H](C)C#N)C1 180204242 XNSFOHJSHONVKV-RWMBFGLXSA-N 244.338 3.578 30 20 BHED CCC[C@H](CN[C@@H](CC)CC#N)c1ccccc1 184092537 YBZVENAIZRCQQQ-CVEARBPZSA-N 244.382 3.852 30 20 BHED CCSCCSCc1cccc(C#N)c1 185605756 SLNAAIXPVPTORG-UHFFFAOYSA-N 237.393 3.545 30 20 BHED Cc1ccc([C@@H](C)NCC(C)(C)CCC#N)cc1 229690147 TXWBXFOZRFSJMP-CQSZACIVSA-N 244.382 3.976 30 20 BHED C=CC[C@H](C)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 245507475 ICPKRCUCGIKUKO-IHRRRGAJSA-N 237.387 3.530 30 20 BHED CC(C)C[C@H](C)CNc1ccc(CC#N)cc1 302250094 ABKWXVGGJRWNFR-ZDUSSCGKSA-N 230.355 3.847 30 20 BHED C/C(=C/Cl)CS[C@H](C)CCC#N 308064355 XXQSQTBCSLKXPX-JGAIRUGNSA-N 203.738 3.554 30 20 BHED C=CCCNC(C)(C)c1cccc(Cl)c1 308884858 VLOGZEQOQMAKHQ-UHFFFAOYSA-N 223.747 3.741 30 20 BHED C[C@@H]1[C@@H](Nc2cccc(CC#N)c2)CCC[C@H]1C 313486943 YWTNWBUUABQXHJ-WWGRRREGSA-N 242.366 3.989 30 20 BHED CCC[C@H](NCc1cc(C#N)cs1)C1CCC1 324790919 JVSWZBIIKWSYLP-AWEZNQCLSA-N 248.395 3.678 30 20 BHED C=CCCC1(C(=O)Nc2cccc(F)c2)CC1 353333573 GKJKTZWOYKMEJF-UHFFFAOYSA-N 233.286 3.511 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1cccc(F)c1 385240396 VJKSACCEPLVTRQ-NSHDSACASA-N 221.319 3.689 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(C)cc1OC 386803689 QNVIAFIYURCMED-ZDUSSCGKSA-N 233.355 3.620 30 20 BHED C=C(CC)CN1CCC[C@H](CC(F)(F)F)C1 420950043 PKRIIZPEWXDRJS-LLVKDONJSA-N 235.293 3.617 30 20 BHED C=CCC[C@H](CC)NCc1cc(C)nc(C)c1 421368207 BOKMYIPIOGYNNA-HNNXBMFYSA-N 232.371 3.533 30 20 BHED C=CCC(C)(C)C(=O)NC[C@@H]1CCC[C@@H](C)C1 429821324 PWIDOLVPAOSNSU-CHWSQXEVSA-N 237.387 3.531 30 20 BHED C=CCC1(C(=O)Nc2ccccc2)CCCC1 449040433 HPJXGJUSMYERRH-UHFFFAOYSA-N 229.323 3.762 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H](CC)CC(C)C 451626690 VKVURWVKACJIHR-STQMWFEESA-N 225.376 3.530 30 20 BHED CC(C)C1CCC(NCC(C)(C)CC#N)CC1 459733825 RASQQKOFOFWXFU-UHFFFAOYSA-N 236.403 3.731 30 20 BHED C=C[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C)cc1 465176397 FKADAHOTRKZAAR-LLVKDONJSA-N 246.354 3.680 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[C@H]1CC 477114263 PAJLIEDATNPEBG-RBSFLKMASA-N 249.398 3.770 30 20 BHED COc1ccc(C#N)cc1N[C@@H]1CCC[C@H](C)C1 500978750 GZHDZRKCWRPKIE-WCQYABFASA-N 244.338 3.557 30 20 BHED C=C(CC)CN1CCc2ccccc2[C@@H]1C 538003445 WGPJPEBCDSQYQX-ZDUSSCGKSA-N 215.340 3.572 30 20 BHED CC#CCS[C@@H](C)c1ccccc1F 547331369 ACFUCECGDHOWSN-JTQLQIEISA-N 208.301 3.643 30 20 BHED Cc1ccc(SCc2ccc(C#N)cn2)cc1 565341813 WRIAJNBYRNKOKH-UHFFFAOYSA-N 240.331 3.554 30 20 BHED CCN(C/C=C\c1ccc(Cl)cc1)[C@H](C)C#N 595821343 UERPPMZUHSYOPH-QMAVJUDZSA-N 248.757 3.587 30 20 BHED Cc1ccc(C=NOCc2ccc(C)cc2)cc1 606518737 UVOOUELUWQSVPI-UHFFFAOYSA-N 239.318 3.854 30 20 BHED C=CCC[C@H](NCC1CC=CC1)c1ccco1 624076652 AGSGRQMWKIEPQY-AWEZNQCLSA-N 231.339 3.843 30 20 BHED N#CCCCCN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 723669950 QTHPUEIJRBLDOJ-RRFJBIMHSA-N 234.387 3.629 30 20 BHED CCCC[C@H](CCC)OC(=O)C1(C#N)CCC1 736841382 CEZPORYSHCEMLF-LBPRGKRZSA-N 237.343 3.582 30 20 BHED C=C[C@H](C)NC(=O)C[C@H](C)CCCCCC 757010023 GIAJTBCICUMFDV-OLZOCXBDSA-N 225.376 3.674 30 20 BHED C#CCCCCCc1nc([C@@H](C)C(C)(C)C)no1 762150172 MCGTZWLRPQIYRS-GFCCVEGCSA-N 248.370 3.955 30 20 BHED Cc1ccc(C=NNCC2(C)CCCC2)s1 793081917 OYSYNJWHGSIBDZ-UHFFFAOYSA-N 236.384 3.560 30 20 BHED CCC(C[C@@H](C)CC)=NOC/C=C/Cl 811671216 CLAJCSBPPGLZJE-NFXXOIMQSA-N 217.740 3.958 30 20 BHED CCC1CCC(=NOCCC2CC2)CC1 814244684 AMZUBVMZVXDYAS-UHFFFAOYSA-N 209.333 3.759 30 20 BHED CSCCCC=NNc1cc(C)ccc1F 814872420 MTYURMXPCJEWLI-UHFFFAOYSA-N 240.347 3.675 30 20 BHED CC(C)(C)CCNN=Cc1cccc2cc[nH]c12 814902216 NZOLHNLMARZTCB-UHFFFAOYSA-N 243.354 3.528 30 20 BHED C=CCC(F)(F)C(=O)N([C@@H](C)CC)[C@H](C)CC 839319269 SZFQWNUKHYXCNM-PHIMTYICSA-N 247.329 3.623 30 20 BHED CC1(C(=O)OCCC2(C#N)CCCCC2)CCC1 840260186 DMJAJYAMCYMMND-UHFFFAOYSA-N 249.354 3.584 30 20 BHED COC[C@@H](C)SCCCCC1(C#N)CCC1 901769311 LWVXTRLTUWGCJP-GFCCVEGCSA-N 241.400 3.619 30 20 BHED CCN(C)c1ccc(C(C)=NOC(C)(C)C)cc1 1324559057 YLNYKUCSZFWMOT-UHFFFAOYSA-N 248.370 3.682 30 20 BHED C=C(C)CCC(=O)N(CC)Cc1ccccc1F 1336424345 SZBYHUIIUYITEC-UHFFFAOYSA-N 249.329 3.531 30 20 BHED C=C(CC)C(=O)N1CCC[C@@H]1c1ccc(C)s1 1548647502 BELWYJCKWXSARZ-GFCCVEGCSA-N 249.379 3.686 30 20 BHED C=C(Cl)CN1C[C@H](c2ccc(C)cc2)C[C@@H]1C 1617609994 BKLDVEOSMFMPDN-DZGCQCFKSA-N 249.785 3.925 30 20 BHED C[C@H]1CCC[C@H](Nc2ccc(OCC#N)cc2)C1 20126417 JYDQQQFCACQUDW-JSGCOSHPSA-N 244.338 3.580 30 20 BHED CC(C)CC[C@H](C)Nc1ccc(C#N)cc1 20561194 KURPBUVPKORTAC-LBPRGKRZSA-N 216.328 3.795 30 20 BHED CCC(CC)Nc1cccc(OCCCC#N)c1 37777373 HIANBWNRTUHBQS-UHFFFAOYSA-N 246.354 3.970 30 20 BHED Cc1cccc(CNc2cc(C#N)ccc2C)c1 50212767 TUVFGRZMRIHXBV-UHFFFAOYSA-N 236.318 3.787 30 20 BHED C=C(C)CNC(=O)Nc1ccccc1C(C)C 122398890 HSMQBTATBAXAMA-UHFFFAOYSA-N 232.327 3.508 30 20 BHED Cc1ccc(C)c([C@@H]2CCCN2CCCC#N)c1 133580074 IBLMJBMAGGRYIO-INIZCTEOSA-N 242.366 3.744 30 20 BHED C=C[C@H](C)N[C@H](C)c1cccc(Cl)c1 157255615 DJRWIBLGJQINKU-VHSXEESVSA-N 209.720 3.565 30 20 BHED C#CCCCNC1CCC(c2ccccc2)CC1 178054624 PFGOLWVHOOZXMV-UHFFFAOYSA-N 241.378 3.716 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc2ccccc2n1 180948367 BFRSAWIVVAZWJO-CHWSQXEVSA-N 240.350 3.850 30 20 BHED CCC[C@H]1CCCCN1CCC(C)(C)C#N 213529344 MSCDISUWUGQLGC-ZDUSSCGKSA-N 222.376 3.581 30 20 BHED CCCCCCCCCC(=O)N1CC=CCC1 215608486 DLUOGXBCFWMOLX-UHFFFAOYSA-N 237.387 3.916 30 20 BHED CC[C@@H](C)CSCc1ccc(C#N)cc1F 229046254 HRTPDBVOMGLJOD-SNVBAGLBSA-N 237.343 3.977 30 20 BHED CC[C@H](c1ccc(F)cc1)N(CC)C[C@H](C)C#N 245762562 ITTNEQNEVRGMJI-IUODEOHRSA-N 248.345 3.758 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc(C)c(C)c1O 273351784 BWOVKEWHSPSEIC-WCQYABFASA-N 233.355 3.624 30 20 BHED CSc1ccc(CS[C@H](C)C#N)cc1 279898928 IRVAOHHFVRBLSQ-SECBINFHSA-N 223.366 3.554 30 20 BHED C[C@H](SCCC#N)c1ccc(F)cc1 344770737 IJMBFIYSXFBONT-VIFPVBQESA-N 209.289 3.534 30 20 BHED C=C(C)CCc1noc([C@H]2C[C@]2(C)C(C)C)n1 347277521 ZIMQNXCCNKHUGM-BXUZGUMPSA-N 234.343 3.728 30 20 BHED Cc1nc(C)c(CSCCCCC#N)s1 359747317 ORSFVVNAAFQCEN-UHFFFAOYSA-N 240.397 3.687 30 20 BHED C=CC[C@H](CC)NCc1ccc(OCC)cc1 393767346 QMMUWZLRJNAJDZ-AWEZNQCLSA-N 233.355 3.530 30 20 BHED C=CCN(Cc1cc(Cl)cs1)C1CC1 426145187 YWQUWLQLEYWNJM-UHFFFAOYSA-N 227.760 3.552 30 20 BHED C=CCN(CCC#N)C[C@@H](CC)c1ccccc1 430094319 JTEGEKVDAVOTSO-OAHLLOKOSA-N 242.366 3.582 30 20 BHED N#Cc1ccc(N2CCCC3(CCCC3)C2)cc1 445664636 MFMYCXPWFJQOBK-UHFFFAOYSA-N 240.350 3.719 30 20 BHED CC[C@]1(C(C)C)C[C@H]1NCc1ccc(C#N)s1 453613765 ONKZDGCXXQSTCM-ZIAGYGMSSA-N 248.395 3.534 30 20 BHED C=CC1CCN(CC2CCC(F)(F)CC2)CC1 459336248 CSMSTYAJQPJWQB-UHFFFAOYSA-N 243.341 3.710 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C1C[C@H](C)C[C@@H](C)C1 488825932 OMSPGRAZDURVJS-UMVBOHGHSA-N 249.398 3.626 30 20 BHED C=CCC(C)(C)CNC(=O)C[C@H]1CCC[C@@H]1C 489964140 GRUHLYJKUMLTDA-QWHCGFSZSA-N 237.387 3.531 30 20 BHED C=CCCCSCc1cccc(OC)c1 522748052 MIKOMKAPBRWNSB-UHFFFAOYSA-N 222.353 3.895 30 20 BHED C=CC1CCN(Cc2cc(C)ccc2C)CC1 523607476 CSUGSWNGJDJYBY-UHFFFAOYSA-N 229.367 3.701 30 20 BHED C=CC[C@H](C)[C@H](C)NCCc1ccc(F)cc1C 539602345 GBIAWAZKKOTOTD-JSGCOSHPSA-N 249.373 3.867 30 20 BHED CC[C@H](C)[C@H](C)NC1(c2cccc(C#N)c2)CC1 560265563 HKSQXWCLLRCYCP-STQMWFEESA-N 242.366 3.572 30 20 BHED CC(C)=CCSCc1ccc(CC#N)cc1 567541121 PVVDCXGPMWSDMD-UHFFFAOYSA-N 231.364 3.952 30 20 BHED C[C@H](CCC#N)CNc1ccccc1Cl 602488899 BPHBSFTUKATUKN-SNVBAGLBSA-N 222.719 3.692 30 20 BHED C=CC[C@@H](C)NC(=O)c1ccc(CCCC)cc1 604880091 SIFJJWXUVOLBTP-CYBMUJFWSA-N 245.366 3.724 30 20 BHED C=CCCN1C[C@H](C)C[C@@H]1c1ccccc1F 608502338 BIKQYTXTFSMCIG-IUODEOHRSA-N 233.330 3.785 30 20 BHED C=CCCN[C@H](CCC)c1ccc(OC)cc1 658115806 DKHIOTPZNNWNGV-OAHLLOKOSA-N 233.355 3.702 30 20 BHED CCCCCCCOC(=O)C1CCSCC1 733051936 CORFKCYDOYSVHS-UHFFFAOYSA-N 244.400 3.643 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C1/CC[C@H](C)C1 775923368 MHZYYLJVSZDXSG-KBPGAJPISA-N 235.371 3.594 30 20 BHED CCC/C(C)=C/C(=O)O[C@@H](C#N)C1CCCCC1 776379134 SRIRFXHVIBEHRC-WONIAPNHSA-N 249.354 3.748 30 20 BHED CC[C@H](C)NN=C1C[C@H](c2ccccc2)C1(C)C 790183685 UVQABODNFNVPOH-GXTWGEPZSA-N 244.382 3.944 30 20 BHED CC(=NOC1CCCC1)c1cc(C)c(C)o1 799883676 MLIDLNRLAWDRKR-UHFFFAOYSA-N 221.300 3.580 30 20 BHED Cc1cccc([C@@H](C)SCCO[C@@H](C)C#N)c1 802752799 TXPAKTABWGIXOR-QWHCGFSZSA-N 249.379 3.718 30 20 BHED C=C(C)COC(=O)Cc1ccc2ccccc2c1 803405318 YTBMUMXBEPHGLL-UHFFFAOYSA-N 240.302 3.502 30 20 BHED C#Cc1ccc(CNCc2c(C)cccc2C)cc1 809628566 ZEDVKBGLRKFLNH-UHFFFAOYSA-N 249.357 3.575 30 20 BHED CC(C)CNN=C1CCCCC12CCCC2 814892115 KSWVUMJHYLZZCY-UHFFFAOYSA-N 222.376 3.722 30 20 BHED C=C(CC)COC(=O)c1ccc(C(C)C)nc1C 815349773 UOKCXXHSVYODDY-UHFFFAOYSA-N 247.338 3.636 30 20 BHED C=C[C@H](C)ON=C1CC(C)(c2ccccc2)C1 844622856 CJXXXIVKUZKAGZ-SFVWDYPZSA-N 229.323 3.685 30 20 BHED C=CCC(C)(C)COC(=O)[C@@H]1C[C@H]1c1ccco1 860785668 FVRSJKLGWVYSFZ-VXGBXAGGSA-N 248.322 3.529 30 20 BHED C=CCCCCCN1CC2CCC1CC2 1116833839 YVZCMCCQQADJGG-UHFFFAOYSA-N 207.361 3.607 30 20 BHED Cc1cc(N[C@@H]2CCCCC2(C)C)ncc1C#N 1306996597 UKWRPINAXIUWDU-CYBMUJFWSA-N 243.354 3.642 30 20 BHED CCC1(CNc2ncccc2C#N)CCCCC1 1639749767 JYVKYZVLJPQSBJ-UHFFFAOYSA-N 243.354 3.726 30 20 BHED C=CC[C@H](C)NC(=O)c1csc2ccccc12 116856063 HVJYYOJPOVJUMJ-JTQLQIEISA-N 245.347 3.596 30 20 BHED C=CC[C@H](C)NCc1csc2ccccc12 116927146 UMMZBBAOWNEBBD-NSHDSACASA-N 231.364 3.956 30 20 BHED CC[C@@H](C#N)Nc1cccc(C(F)(F)F)c1C 122261654 AMHHNIJMSPRBCW-VIFPVBQESA-N 242.244 3.728 30 20 BHED CC[C@@H]1CCC[C@@H]1Nc1ccc(OCC#N)cc1 165278868 YKMHSHGPOIDOTO-DOMZBBRYSA-N 244.338 3.580 30 20 BHED CC(C)(C#N)CCOc1c(F)cccc1Cl 212633772 PZJRZAMUPCGFBQ-UHFFFAOYSA-N 241.693 3.798 30 20 BHED C[C@@H](S)c1c(Cl)cccc1Cl 220664470 HECNYBRAZCFCLA-RXMQYKEDSA-N 207.125 3.984 30 20 BHED Cc1cc(C)c(C#N)c(S[C@H](C)C(C)C)n1 221851367 DHTNJJPFSAEWKA-LLVKDONJSA-N 234.368 3.707 30 20 BHED CC(C)C[C@@H]1CCC[C@H](NCC(C)(C)C#N)C1 230775388 GFJYIVLBLZNKFM-KBPBESRZSA-N 236.403 3.731 30 20 BHED CC(C)[C@@H](C)SCc1ccc(C#N)cc1F 231193387 VGMWXPAWMKWXDH-SNVBAGLBSA-N 237.343 3.975 30 20 BHED C=C[C@H](C)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 252715936 XDIHCRAYGXBHEP-RFQIPJPRSA-N 207.361 3.509 30 20 BHED C=CCN(CCC#N)[C@@H](CC)c1ccccc1 292259862 RKFSBCFQMLOEMJ-HNNXBMFYSA-N 228.339 3.539 30 20 BHED C=C(CC)CSCCCOC(C)C 308205095 YERFJHTZAVSYBM-UHFFFAOYSA-N 202.363 3.501 30 20 BHED C[C@@H]1CCCC[C@@]1(C)NCc1ccc(C#N)s1 308714176 NCKNWFBPPRAKOF-BXUZGUMPSA-N 248.395 3.678 30 20 BHED C[C@@H]1CCCC[C@]1(C)NCc1cc(C#N)cs1 308722958 QXGKCCYASDAVRN-RISCZKNCSA-N 248.395 3.678 30 20 BHED C=CCCCCNC/C=C/c1ccccc1 309180503 FHAGNUFMSBWWJE-FMIVXFBMSA-N 215.340 3.646 30 20 BHED C=CC[C@H](C)[C@@H](C)NC1CC(C(F)(F)F)C1 309726467 DFPUBKUURCHBFU-IZUQBHJASA-N 235.293 3.518 30 20 BHED CC(C)(C)CCC(=O)Nc1cccc(CC#N)c1 313433874 GXUWHWHUMXXRQI-UHFFFAOYSA-N 244.338 3.517 30 20 BHED C[C@@H]1CCC[C@H](Nc2ncc(C#N)cc2Cl)C1 339136656 NFDCIUDGLWNDBB-KOLCDFICSA-N 249.745 3.597 30 20 BHED CC[C@H](C)CCC(=O)Nc1cccc(C#N)c1C 354428213 KKMPTSXZXFUWIV-NSHDSACASA-N 244.338 3.632 30 20 BHED C=CCC1(C(=O)NCC2CCC(C)CC2)CCC1 359169303 NXJUWLJGSFCUNL-UHFFFAOYSA-N 249.398 3.675 30 20 BHED C[C@H]1CC[C@H]1Nc1cccc(OCCCC#N)c1 380784678 YCPUZYINNDKILE-SWLSCSKDSA-N 244.338 3.580 30 20 BHED C=CC(C)(C)CN[C@H](C)CCc1ccc(O)cc1 385434002 FROPRSKAFPLHKX-CYBMUJFWSA-N 247.382 3.515 30 20 BHED C=CC1CCN(CCCCC(C)(C)C#N)CC1 409445037 HOFCSEABGDPSTI-UHFFFAOYSA-N 234.387 3.604 30 20 BHED CC[C@H](SCCC#N)c1ccc(F)cc1 413017666 ZWVVRPMQZALETJ-LBPRGKRZSA-N 223.316 3.924 30 20 BHED Cc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1 414174300 XXWKZBUURISJPN-CYBMUJFWSA-N 230.355 3.586 30 20 BHED CC[C@@H](F)CSCc1cccc(C#N)c1F 442560472 XMYPTCJAGUJOKG-LLVKDONJSA-N 241.306 3.679 30 20 BHED CC1(C#N)CCC(NCC2(C3CC3)CCC2)CC1 449183665 DUWKKABUCYTUMO-UHFFFAOYSA-N 246.398 3.629 30 20 BHED C=CCCCC(=O)N1CC2(CCCC2)[C@@H]1C(C)C 457175450 SKANSNQNSQKSNQ-HNNXBMFYSA-N 249.398 3.770 30 20 BHED C=CCCN(C)C(=O)c1ccc(C(C)(C)C)cc1 466647623 CBYLAZYMNLXCIB-UHFFFAOYSA-N 245.366 3.632 30 20 BHED C=CC[C@H](CC)N[C@@H](C)[C@H](OC)c1ccccc1 467403056 GTAFBWZFHYLKDL-BPUTZDHNSA-N 247.382 3.707 30 20 BHED C=CCC[C@@H](O)CN(c1ccccc1C)C(C)C 472646197 AOWNHEARGVBHLG-OAHLLOKOSA-N 247.382 3.537 30 20 BHED CCCCN(CC(C)(C)CCC#N)C1CC1 507225733 DOGOMAWWUGKUPA-UHFFFAOYSA-N 222.376 3.581 30 20 BHED C=C(C)CCN1C[C@@H](c2ccc(F)cc2)C[C@H]1C 509667356 QTMLMQQHMPYJRH-HIFRSBDPSA-N 247.357 3.970 30 20 BHED CCCCCc1ccc(NC(=O)[C@@H](C)C#N)cc1 510368402 YZWRFZICORVDSK-LBPRGKRZSA-N 244.338 3.517 30 20 BHED C=CC[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 523963075 WFUOMLVBESSBPJ-GFCCVEGCSA-N 245.366 3.679 30 20 BHED C=CCC(C)(C)c1noc(CC[C@@H](C)CC)n1 560029741 XYAUEMGSPXBDTK-NSHDSACASA-N 236.359 3.902 30 20 BHED C=CCOCCSCc1ccc(F)cc1C 561243490 LATSAKGCJWGHHM-UHFFFAOYSA-N 240.343 3.570 30 20 BHED C=CCCCCN1CC[C@@H](C(F)(F)F)[C@@H]1C 567441320 GJVPNDYDSZKFGY-WDEREUQCSA-N 235.293 3.615 30 20 BHED C=CCCCN(CC=C)Cc1ccccc1F 577915137 RYOPCXQSHDGBSJ-UHFFFAOYSA-N 233.330 3.780 30 20 BHED C=CCCCCCn1ccc(C(C)(C)C)cc1=O 581220035 ICROMIYIIDEZMC-UHFFFAOYSA-N 247.382 3.892 30 20 BHED CC[C@@H](C#N)S[C@H]1CCc2ccccc2C1 594907766 GGOPGQMSDGWOEN-KBPBESRZSA-N 231.364 3.579 30 20 BHED CSc1ccccc1NC[C@@H](C)CCC#N 602490295 QGYDRXVUZIHPLH-NSHDSACASA-N 234.368 3.760 30 20 BHED C[C@H](c1ccc(C#N)cc1)N1CCC(C)(C)CC1 609823581 QXJXGORKIQNSCY-CYBMUJFWSA-N 242.366 3.741 30 20 BHED C=CC[C@H](CC)NCc1cc2c(C)cccc2[nH]1 657454632 CDZJTKOZTONQJI-ZDUSSCGKSA-N 242.366 3.921 30 20 BHED C=CCC1(N[C@@H]2C=CCCC2)CCCC1 661847969 GYMZNAUFMWHEEY-CYBMUJFWSA-N 205.345 3.574 30 20 BHED CC#CCCCC(=O)Nc1ccc(C2CC2)cc1 681001676 SEZUGWCXFXUPSX-UHFFFAOYSA-N 241.334 3.696 30 20 BHED N#Cc1ccc(Cl)cc1NCCCC(F)F 688766745 YNWVOTIUIFLNIV-UHFFFAOYSA-N 244.672 3.669 30 20 BHED C[C@@H]1CCC[C@@H](N[C@H](C)CC(C)(C)C#N)CC1 709997576 KUSHFDBVUMIMDG-MGPQQGTHSA-N 236.403 3.873 30 20 BHED C=C(C)CCOC(=O)CCc1ccc(C)cc1C 744300001 OIKMSJLGUXSFCW-UHFFFAOYSA-N 246.350 3.745 30 20 BHED COc1cccc(NN=C2CCC[C@@H]2C(C)C)c1 747750667 CIJOMFCPFHSVEF-CQSZACIVSA-N 246.354 3.919 30 20 BHED C=CCN(Cc1cccs1)C(=O)C(C)=C(C)C 751116242 FAIDNWXMQBQGPT-UHFFFAOYSA-N 249.379 3.619 30 20 BHED CCCCCC[C@@H](C)CC(=O)O[C@@H](C#N)CC 753429056 WZTJDSZBSFTBSP-CHWSQXEVSA-N 239.359 3.828 30 20 BHED CC(=NO[C@H]1CCCCO1)c1ccc(C)cc1C 755815886 SPOBBDIQICLWSD-HNNXBMFYSA-N 247.338 3.571 30 20 BHED C#CCCc1noc(CCCC2CCCCC2)n1 762012063 SRXGKAFUSRVACL-UHFFFAOYSA-N 246.354 3.538 30 20 BHED CON=Cc1ccc(-c2ccc(Cl)cc2)o1 767493074 WQQRJAUDBUUZEA-UHFFFAOYSA-N 235.670 3.580 30 20 BHED CCC[C@@H](C(=O)OCCC(C)(C)C#N)C(C)C 776395429 GOLDKOVWCGZVGG-GFCCVEGCSA-N 239.359 3.542 30 20 BHED CCC(=NOC1CCCCC1)C1CCOCC1 777458959 MJDNLMBEBMGXDM-UHFFFAOYSA-N 239.359 3.528 30 20 BHED CC(C)Oc1ccc(NC2CCCC2)cc1C#N 779603443 AAZSBEJDTZTBML-UHFFFAOYSA-N 244.338 3.700 30 20 BHED CCCCCCC=NN1Cc2ccccc2C1=O 781598210 XKXNOIKFSSRKJE-UHFFFAOYSA-N 244.338 3.599 30 20 BHED C[C@H]1CCCC[C@H]1C=Nn1cnc2ccccc21 783815869 JTZMTGJGGADSDH-STQMWFEESA-N 241.338 3.697 30 20 BHED Cc1cc(C)c(C=NN[C@@H](C)C(C)(C)C)c(C)c1 793116509 YRNZBDQKQJXUAW-AWEZNQCLSA-N 246.398 3.970 30 20 BHED CCCCCC=NNc1nccnc1C1CCC1 807993424 DFTIVWRTVDNNKC-UHFFFAOYSA-N 246.358 3.722 30 20 BHED C[C@H]1C[C@H](C)CCC1=NOCCC1CC1 814246905 HSKJGKSAYDBECW-MNOVXSKESA-N 209.333 3.615 30 20 BHED CC(C)OCCON=C[C@@H](C)C1CCCCC1 814937236 ZDJRPJNYXWOOLT-CYBMUJFWSA-N 241.375 3.630 30 20 BHED CON=C(C)c1ccc(-c2cccs2)cc1 818271695 FICCZRZJNIOZGP-UHFFFAOYSA-N 231.320 3.786 30 20 BHED CCCCCCCCn1cnc(C2CC2)n1 842051551 CSUONQYZCVKGTG-UHFFFAOYSA-N 221.348 3.516 30 20 BHED N#Cc1cnc(Oc2ccc(Cl)cc2)c(F)c1 1649224973 SSTXJUDEEQVJHX-UHFFFAOYSA-N 248.644 3.538 30 20 BHED CCc1cccc(COc2ccc(C#N)cc2)c1 1652441420 BAVAQHMWKGAMHO-UHFFFAOYSA-N 237.302 3.700 30 20 BHED C[C@H](CC#N)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 1663172187 ZNHGJARRYSDQJF-MCIONIFRSA-N 236.403 3.873 30 20 BHED N#Cc1cccc(CNc2cccc(Cl)c2)c1 19920332 BEUGQNKQWUBKOY-UHFFFAOYSA-N 242.709 3.824 30 20 BHED CC[C@@H](C#N)Sc1ccc2c(c1)CCC2 43557622 AEHZSOVGWILJJD-LBPRGKRZSA-N 217.337 3.570 30 20 BHED N#Cc1cc(Cl)ccc1NCc1ccccc1 52856729 DEYDCFRMVVYZOK-UHFFFAOYSA-N 242.709 3.824 30 20 BHED CC(C)CCNc1ccc(Cl)cc1C#N 52856790 WRWKBYDIIHVJHQ-UHFFFAOYSA-N 222.719 3.670 30 20 BHED N#CCCCCSc1ccc(Cl)cn1 70614908 LTMQBTXQMJIQCW-UHFFFAOYSA-N 226.732 3.521 30 20 BHED C=CCCN1CC[C@H](CSc2ccccc2)C1 75964033 VTFUNGNTFQALRL-AWEZNQCLSA-N 247.407 3.677 30 20 BHED CCC[C@H]1CCCN(CCCC(C)(C)C#N)C1 120961934 IZRUTIVWUHOQDL-AWEZNQCLSA-N 236.403 3.828 30 20 BHED CC[C@H](C#N)Sc1ncc(C(C)(C)C)s1 127817333 GCSHHFBXLNAUEA-MRVPVSSYSA-N 240.397 3.835 30 20 BHED C=CCCC(=O)CSc1ccc(Cl)cc1 134643954 HFNFIZBCRRSWMC-UHFFFAOYSA-N 240.755 3.967 30 20 BHED C=CCCCC(=O)Nc1cc([C@H](C)CCC)n[nH]1 175834630 ZOGGMVWFNBDOJT-LLVKDONJSA-N 249.358 3.608 30 20 BHED N#Cc1ccc(/C=C/c2ccc(Cl)cc2)nc1 193445241 ZLOWTDAZSYNXCK-XVNBXDOJSA-N 240.693 3.777 30 20 BHED C=C(C)CN(C)[C@@H](CC)c1ccccc1 194972431 KRIIFDMGVKHVPC-AWEZNQCLSA-N 203.329 3.646 30 20 BHED CCC1(CN[C@@H](C)c2cccc(C#N)c2)CCC1 224714639 OPENELCPOIPDLX-ZDUSSCGKSA-N 242.366 3.789 30 20 BHED CC(C)(C#N)CCCCSc1ccccn1 232524805 GWMBAOXJMFOHTR-UHFFFAOYSA-N 234.368 3.894 30 20 BHED CCCN(CC#N)C/C=C\c1ccc(Cl)cc1 254988600 BIEZGAJAMHOULP-ARJAWSKDSA-N 248.757 3.589 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCC1CC(C)(C)C1 308849555 NSFKTASRBJFNBD-VXGBXAGGSA-N 209.377 3.613 30 20 BHED C=CCCCCNC1CCC2(CC1)CC2 309077512 MHZDCJJVMJEAKZ-UHFFFAOYSA-N 207.361 3.655 30 20 BHED CC[C@H](CC#N)N[C@H]1CCCC12CCCCC2 313096444 DRAGTVOSKUPUSM-KGLIPLIRSA-N 234.387 3.771 30 20 BHED C/C=C\CSCc1ccc(CC#N)cc1 342576052 VRTYRFAZKFAXAD-IHWYPQMZSA-N 217.337 3.562 30 20 BHED C=CCCCCN[C@@H]1CCCNc2ccccc21 348183345 BBAADMGMHOXYDR-MRXNPFEDSA-N 244.382 3.879 30 20 BHED C=CCC[C@H](CC)N[C@H]1CCCc2occc21 359914855 BWJYFMXRPNZYLG-JSGCOSHPSA-N 233.355 3.991 30 20 BHED CCC1(NCc2cccc(C#N)c2F)CCCC1 382593982 GFBVTYVUFMSNQO-UHFFFAOYSA-N 246.329 3.510 30 20 BHED CC(C)c1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 442846126 NYWYUOIWEBXBPI-XJKSGUPXSA-N 242.366 3.592 30 20 BHED C=CC[C@@H]1N(Cc2cnoc2C)CCCC1(C)C 444773653 FGSICKNRKMQSIK-AWEZNQCLSA-N 248.370 3.550 30 20 BHED C=C(C)CCN[C@@H](C)CCc1ccccc1F 449475576 LNYZMEYGRAUWAS-ZDUSSCGKSA-N 235.346 3.703 30 20 BHED C=CC[C@H](CC)NC(=O)C1=CCC(C)(C)CC1 456039563 QCKWRWLAKIUCJQ-ZDUSSCGKSA-N 235.371 3.594 30 20 BHED C=CCC[C@@H](CCC)N[C@H](C)CC(C)(C)OC 462118010 NKJATCFQEYXVOL-ZIAGYGMSSA-N 241.419 3.915 30 20 BHED C=CCN(C)[C@@H](c1ccccc1C)C(C)C 488739229 KLTSZAXNKWMURL-OAHLLOKOSA-N 217.356 3.810 30 20 BHED CCC(CC)[C@H](C)C(=O)Nc1cccc(C#N)c1 535589674 SLLBAIARJCMAII-NSHDSACASA-N 244.338 3.569 30 20 BHED C=C(C)COCCN[C@H]1CCC[C@H]1CCCC 539064908 NSJKTLCLFUPQEG-CABCVRRESA-N 239.403 3.528 30 20 BHED C=C(C)COc1cnc2ccc(Cl)cc2c1 551360018 TWNUIHBTQRKORB-UHFFFAOYSA-N 233.698 3.843 30 20 BHED C[C@@H]1C[C@H](OCCCCCC=O)CC(C)(C)C1 584907160 WYBYVBQJCHKSCH-KGLIPLIRSA-N 240.387 3.977 30 20 BHED CCCC(CCC)NCCc1ccc(C#N)cc1 595059980 JRTKQSSCWIYBDD-UHFFFAOYSA-N 244.382 3.659 30 20 BHED C=CCCCN1CCC[C@H]1c1ccc(F)cc1 605149823 YRQPAJNGTWZYEK-HNNXBMFYSA-N 233.330 3.929 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C1CCC2(CC1)CC2 614132594 JHQLYIQKMKUFKM-CQSZACIVSA-N 247.382 3.524 30 20 BHED C=CCCC[C@@H](C)NCc1nc2ccccc2o1 638836848 LFYJBFPSUVFAJF-GFCCVEGCSA-N 244.338 3.662 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1NCC(C)(C)OCC 657983835 YFTAWWQLAWNZFJ-KGLIPLIRSA-N 239.403 3.526 30 20 BHED C=C(CNCc1ccc(CC)o1)c1ccccc1 675472611 IXOHDYOHKVDVLY-UHFFFAOYSA-N 241.334 3.645 30 20 BHED C[C@@H](CC(C)(C)C#N)NC[C@@H]1CCCC1(C)C 695857510 DHDMXCJPAFNHMC-STQMWFEESA-N 236.403 3.731 30 20 BHED CCC(=NN[C@H]1CCCCC1(C)C)C1CC1 773126064 RJMBQUMJYQVNQF-ZDUSSCGKSA-N 222.376 3.721 30 20 BHED CC1(C)CCCC[C@@H]1NN=Cc1ccccc1F 773126568 UUZQZXZLAZSASS-AWEZNQCLSA-N 248.345 3.718 30 20 BHED Clc1ccnc(NN=C2CCCCCC2)c1 777907019 PLOVAGUGPAWHJH-UHFFFAOYSA-N 237.734 3.857 30 20 BHED C#CCCCCCc1nc(-c2ccsc2)no1 779741563 MRMKBTUBTWGBSI-UHFFFAOYSA-N 246.335 3.534 30 20 BHED C#C[C@H](CCC)NC(=O)CCCC[C@@H](C)CC 791201186 SLOKMBJEZKLFHJ-UONOGXRCSA-N 237.387 3.511 30 20 BHED CCC(CC)CNN=C1CCC[C@@H]1CCF 794930043 BDPRMAVZANLLOI-GFCCVEGCSA-N 228.355 3.528 30 20 BHED CCCCCCCCC(=O)N1CC(C)(CC)C1 812692023 OKZWSAAVJURSTF-UHFFFAOYSA-N 239.403 3.996 30 20 BHED C=CCCCCC[C@@H](C)N[C@@H](C)CC(C)(C)O 824703254 YRZZKDUXCKCIOA-KGLIPLIRSA-N 241.419 3.651 30 20 BHED C=C[C@@](C)(CC)COC(=O)CC1CC(F)(F)C1 835341980 YOMMTZSWQIRHEA-LBPRGKRZSA-N 246.297 3.567 30 20 BHED C=CCC1(CNC(=O)C(C)=C(C)C)CCCC1 836991754 YFEKWWLCWKFYJL-UHFFFAOYSA-N 235.371 3.595 30 20 BHED C[C@H](C=NOCc1ccccc1)c1ccccc1 839419947 XUSYIYYWPSTGJV-CQSZACIVSA-N 239.318 3.993 30 20 BHED C=C[C@H](C)ON=C[C@H]1CCC[C@H](C(F)(F)F)C1 853369094 HEBKKQCUBLFEDD-DCAQKATOSA-N 249.276 3.932 30 20 BHED CCCCNN=Cc1ccc(Cl)cc1Cl 915966448 RXUAHILLPZQNPV-UHFFFAOYSA-N 245.153 3.717 30 20 BHED C=C(C)CCNC1(c2ccccc2OC)CCC1 1324149641 CPXZQLCAMYIMTO-UHFFFAOYSA-N 245.366 3.630 30 20 BHED CCC#C[C@H](C)N[C@@H](CC)c1ccc(F)cc1 1325228318 NMERBYRZYFAMHO-WFASDCNBSA-N 233.330 3.668 30 20 BHED C[C@@H]1CCC[C@H](Nc2cccc(OCC#N)c2)C1 37069515 AOWBBAHDUPISAN-OLZOCXBDSA-N 244.338 3.580 30 20 BHED C=CCCCOc1ccc(CCC(C)=O)cc1 71275560 CLFSHWGGKZWHLY-UHFFFAOYSA-N 232.323 3.553 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H]1CC(C)(C)OC1(C)C 181259799 FAFCNJGXKYFOGY-RWMBFGLXSA-N 239.403 3.523 30 20 BHED C=CCCC[C@@H](C)N[C@H](C)c1cncc(C)c1 184432167 LXXWAAPHMAUXGO-ZIAGYGMSSA-N 232.371 3.785 30 20 BHED CC#CC(=O)Nc1ccc(C(C)C)cc1C(C)C 282681452 JPYHOOKJHDBHNB-UHFFFAOYSA-N 243.350 3.895 30 20 BHED Cc1cc(C#N)cc(N[C@H]2CCC[C@@H](C)C2)c1 308101686 HWGJZDNLSZKEBK-RISCZKNCSA-N 228.339 3.857 30 20 BHED C=CCN[C@H](c1ccccc1C)C(C)(C)C 309684405 GYXLXDXMBNRYBM-CQSZACIVSA-N 217.356 3.858 30 20 BHED C=CCCCCCCN[C@H](CC)[C@H]1CCOC1 310422621 OWFDZJIXVKNHEW-LSDHHAIUSA-N 239.403 3.528 30 20 BHED N#CCc1cccc(N[C@@H]2CCCC23CCC3)c1 313412741 UBEGHKOFXNBTQJ-OAHLLOKOSA-N 240.350 3.887 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccccc1SC 336731227 KPCCDJUJWNCZQH-MNOVXSKESA-N 221.369 3.634 30 20 BHED C[C@H]1CC(C)(C)CC[C@H]1Nc1cc(C#N)ccn1 342792101 SRVGLUFVUSHAAJ-WCQYABFASA-N 243.354 3.580 30 20 BHED CCCN(CCC#N)[C@@H](CC)c1ccccc1 346589572 COPFHIPVNPYNQF-HNNXBMFYSA-N 230.355 3.763 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1cccc([N+](=O)[O-])c1 393782918 QYRVJYZLSYARPS-YPMHNXCESA-N 248.326 3.600 30 20 BHED C=CCCC[C@@H](C)N[C@@H]1CCC[C@@H]2C[C@@H]21 398069778 LMUAEQCVRZVTFQ-YIYPIFLZSA-N 207.361 3.509 30 20 BHED CC(C)(CC#N)CN[C@H]1CCCc2ccccc21 414167405 PFAIXJASDPCQDJ-HNNXBMFYSA-N 242.366 3.593 30 20 BHED C=CCC(C)(C)c1noc([C@@H](C)CC(F)F)n1 420501329 HZIWYZNDXKTVLQ-QMMMGPOBSA-N 244.285 3.682 30 20 BHED C=CCC[C@H](CCC)NCc1cc(C)cc(N)c1 423489035 ZZRNRPOAAYBFHL-INIZCTEOSA-N 246.398 3.802 30 20 BHED C=CCN(CCCSC)CC1CCCCC1 441380960 HYWHQETTYAAXCY-UHFFFAOYSA-N 241.444 3.808 30 20 BHED C=CC[C@@H](C)NC(=O)[C@@H](CCC)CC(C)C 449889812 RFLBZSQSMAYQJC-OLZOCXBDSA-N 225.376 3.530 30 20 BHED CC[C@@]1(C(C)C)C[C@@H]1NCc1ccc(C#N)s1 453613762 ONKZDGCXXQSTCM-KBPBESRZSA-N 248.395 3.534 30 20 BHED C=C(CC)CSc1c(OC)cccc1OC 473783452 CVAVNCOIOZJCCC-UHFFFAOYSA-N 238.352 3.762 30 20 BHED C=CC[C@H](C)[C@H](C)NCC1(OC)CCCCC1 480703623 BFCKWLBNNCQORP-KBPBESRZSA-N 239.403 3.526 30 20 BHED C=C(C)CCSCc1sc(C)nc1C 507098599 SLZQFNKDVLHONW-UHFFFAOYSA-N 227.398 3.959 30 20 BHED CC(C)=CCSCCOc1cccc(C#N)c1 563833479 DPRMUIVZRJMWFK-UHFFFAOYSA-N 247.363 3.636 30 20 BHED C=CCCCCNc1cccc(C(C)=O)c1 565287810 PHQUVYGWGCRZNN-UHFFFAOYSA-N 217.312 3.657 30 20 BHED C/C=C(/CC)C(=O)Nc1ccc(Cl)c(C#N)c1 588571380 NYVJSEZBRQGENF-OQFOIZHKSA-N 248.713 3.506 30 20 BHED CC(C)(C)[C@H]1CC=C(c2cnn(CC#N)c2)CC1 600775257 LLZSKARKSVUISA-AWEZNQCLSA-N 243.354 3.636 30 20 BHED Cc1ccccc1[C@@H](C)N[C@@H](C)CC(C)(C)C#N 695776724 FFGRQFWJPTXXGH-UONOGXRCSA-N 244.382 3.974 30 20 BHED C(CCc1ccccc1)=Nn1cnc2ccccc21 725849710 QOHMCDUBEIXIED-UHFFFAOYSA-N 249.317 3.503 30 20 BHED C=C1CCN(C(=O)CCCCCCCC)CC1 731052013 AFDBZMLFDZWDED-UHFFFAOYSA-N 237.387 3.916 30 20 BHED CON=C1CCC[C@@H]1c1ccc(Cl)cc1 741458953 ROWXPJKLUARANE-LLVKDONJSA-N 223.703 3.610 30 20 BHED O=C(/C=C\c1cscc1Cl)c1ccco1 771859531 NPJMJLJPJXVTFD-ARJAWSKDSA-N 238.695 3.891 30 20 BHED C=CCC[C@@H](Nc1ccc2c(c1)OCO2)C1CC1 776767239 BPJDWEPKIMZMGU-CYBMUJFWSA-N 245.322 3.572 30 20 BHED Cc1cccnc1NN=C1C[C@@H](C)C[C@H](C)C1 790185703 KYPFPNXMPBXJTO-QWRGUYRKSA-N 231.343 3.614 30 20 BHED C[C@H](NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)C(C)(C)C 793113166 AOEQBDBTWFNPEF-ZSLBOAEBSA-N 248.414 3.823 30 20 BHED CC[C@H]1CC[C@@H](C)CC1=NOCC1CC1 814244016 XQWBVQQHNGTRNE-PWSUYJOCSA-N 209.333 3.615 30 20 BHED CCC(=NNc1cccc(F)n1)C1CCCC1 834977514 MJQAMMQKVSYYFS-UHFFFAOYSA-N 235.306 3.589 30 20 BHED C1CC(=NOCCC2CC2)C2(C1)CCC2 834982064 LHGXRAXGFJGTSR-UHFFFAOYSA-N 207.317 3.513 30 20 BHED C=C(CC)CN[C@H](C)c1ccc(Cl)cc1O 841758846 VJQRTCUDFGKBCX-SNVBAGLBSA-N 239.746 3.662 30 20 BHED CC(CC(C)(C)C#N)=NN[C@@H](C)c1ccccc1 853293636 MTPZWUJDZFNSAK-ZDUSSCGKSA-N 243.354 3.653 30 20 BHED C[C@H]1CCCCN1N=Cc1cc2ccccc2o1 853381206 YFENAAKTNSPUAZ-LBPRGKRZSA-N 242.322 3.641 30 20 BHED C#CCCCCCCN[C@H](CC)CC(F)(F)F 877353772 VAYOKCORIBTHOI-GFCCVEGCSA-N 249.320 3.891 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1c(O)cccc1F 886605193 LMPGSBMFEQKUML-WDEREUQCSA-N 237.318 3.537 30 20 BHED CC(=NNc1cccc(C)c1)c1ccccc1 916255839 DETFTSVULKODSV-UHFFFAOYSA-N 224.307 3.831 30 20 BHED C=C(C)CCC(=O)NC[C@@H](CC)c1ccccc1 1338732470 PMYPEMREGZGFFX-CQSZACIVSA-N 245.366 3.653 30 20 BHED CO[C@H]1CCC[C@H](Sc2ccc(C#N)cc2)C1 1458920101 VWUDGIMMZRPZIR-JSGCOSHPSA-N 247.363 3.608 30 20 BHED CO[C@@H]1CCC[C@H](Sc2cccc(C#N)c2)C1 1472997542 WOFIQBDYPRNSST-OCCSQVGLSA-N 247.363 3.608 30 20 BHED C[C@H]1CCC[C@@H](CSc2cc(C#N)ccn2)C1 1613475262 LJEHCWHTKLTFQU-WCQYABFASA-N 246.379 3.872 30 20 BHED N#Cc1c(F)cccc1NCC12CCC(CC1)C2 1655335332 AVCSLUHWTIJJTG-UHFFFAOYSA-N 244.313 3.690 30 20 BHED N#Cc1ccc(N2CC[C@@H]3CCCC[C@@H]3C2)cc1 35175373 CMZMENKNLVGQLT-LSDHHAIUSA-N 240.350 3.575 30 20 BHED N#Cc1ccccc1CSc1ccc(O)cc1 37995793 YZASYMPALDBWMS-UHFFFAOYSA-N 241.315 3.556 30 20 BHED CC1(C)CCC[C@H](NCc2ccc(C#N)cc2)C1 79977558 AQEYKIGBMCPAHT-HNNXBMFYSA-N 242.366 3.617 30 20 BHED C[C@@H]1CCC[C@@H](CNc2ccc(CC#N)cc2)C1 89607045 YDNRMCCLYVPBOD-UKRRQHHQSA-N 242.366 3.991 30 20 BHED C#CCCCCC(=O)N(C)C1CCC(C)(C)CC1 120265065 NNJOJCSZBXSPNR-UHFFFAOYSA-N 249.398 3.607 30 20 BHED CC1(C)CC[C@H](Nc2cccc(OCC#N)c2)C1 129390089 MQVDGMBANIUSLM-ZDUSSCGKSA-N 244.338 3.580 30 20 BHED C=CCS[C@@H](C)c1ccccc1[N+](=O)[O-] 141742535 FULVHDLQZPNAKD-VIFPVBQESA-N 223.297 3.575 30 20 BHED CC[C@@H](S[C@@H](C)C#N)c1ccccc1 156404078 WHLZRUOMFAJIFV-CMPLNLGQSA-N 205.326 3.783 30 20 BHED CC(C)(CCC#N)CNc1ccccc1F 157501772 WTXLTSSIBPLHLF-UHFFFAOYSA-N 220.291 3.568 30 20 BHED N#CCCCCSCc1ccc(F)cc1 160977612 UXXJRJPNXSMTHP-UHFFFAOYSA-N 223.316 3.753 30 20 BHED O=C(/C=C/c1cccnc1Cl)c1ccccc1 171536328 HWKJNXMLIJUVHX-CMDGGOBGSA-N 243.693 3.631 30 20 BHED C=C(C)CN(CC)C(=O)[C@@H]1CCCC(C)(C)C1 179285809 VCKWBXYPBDBOEU-CYBMUJFWSA-N 237.387 3.627 30 20 BHED N#CCCCCN1CCC(c2ccsc2)CC1 186955990 BCJPRUUNGFNSCW-UHFFFAOYSA-N 248.395 3.621 30 20 BHED CCC1(CC)CCCN(CCCCC#N)CC1 190414604 VWALKIVUVKFVSK-UHFFFAOYSA-N 236.403 3.973 30 20 BHED C[C@@H]1CCCN(CCCCC(C)(C)C#N)[C@@H]1C 235287824 MHRFEILMSODAKB-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED C=CCCSCc1cccc(Cl)n1 266462245 QCLLOPZKLYLBCH-UHFFFAOYSA-N 213.733 3.544 30 20 BHED C=CCC(C)(C)C(=O)NC[C@H](C)c1ccccc1 292341826 SSMICFASXCGTBS-ZDUSSCGKSA-N 245.366 3.509 30 20 BHED C=CC(C)(C)C(=O)NC[C@H](CC)c1ccccc1 294231108 BRNITJNUOUBJAD-ZDUSSCGKSA-N 245.366 3.509 30 20 BHED Cc1ccc(Oc2c(C#N)cccc2C#N)cc1C 302821996 DSSWBDWZCILDBT-UHFFFAOYSA-N 248.285 3.839 30 20 BHED N#Cc1cccc(OCCC2CCCC2)c1 303389028 MACFLDRTAHDAOU-UHFFFAOYSA-N 215.296 3.517 30 20 BHED Cc1cc(C#N)cc(NC[C@@H](C)C(C)(C)C)c1 308102868 JDRPZBRZGUUFON-GFCCVEGCSA-N 230.355 3.961 30 20 BHED C=CC[C@H](CC)NCc1cc(Cl)cs1 308609897 QJEDCKGKBZGDDH-JTQLQIEISA-N 229.776 3.846 30 20 BHED C#C[C@H](CC)N[C@H](C)CCCCCC=C 309069262 ATKGAGZEISTONS-ZIAGYGMSSA-N 207.361 3.513 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccnc(Cl)c1 309700449 MMCYHMBUXXGGHU-PWSUYJOCSA-N 238.762 3.740 30 20 BHED C=CCCCCN[C@H](C)CCc1ccccc1 310095605 UWRKWMOTHUWQKM-OAHLLOKOSA-N 231.383 3.954 30 20 BHED OC(=Nc1cn[nH]c1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 329031809 XIUSSSQZFQGJAG-KGYLQXTDSA-N 247.342 3.604 30 20 BHED N#Cc1cnccc1/C=C\c1ccsc1Cl 349108606 LUEBCKXEUPJAFL-UPHRSURJSA-N 246.722 3.839 30 20 BHED C=CCC[C@H](C)N[C@@H](C)c1ccncc1CC 361127926 BRHDFBTVIXYOSN-STQMWFEESA-N 232.371 3.649 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccccc1F 385136508 HTXGJSZJBXGMBQ-LLVKDONJSA-N 221.319 3.689 30 20 BHED Cc1cccc(NCc2ccc(CC#N)cc2)c1 399119636 OHLRPDAUASYPOE-UHFFFAOYSA-N 236.318 3.673 30 20 BHED C=CCC(C)(C)c1nc(C2CCCCC2)no1 426417042 OJEGYGWSKAIZDL-UHFFFAOYSA-N 234.343 3.971 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)C(C)(F)F 449415230 ODFYCAABSGZUDB-QWRGUYRKSA-N 219.319 3.755 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 451243976 DGZWAWXQJNSUAI-BYNSBNAKSA-N 249.398 3.626 30 20 BHED C=C(CC)CNC(=O)Nc1c(C)cc(C)cc1C 454179972 WSYBPUCFNUTLSP-UHFFFAOYSA-N 246.354 3.700 30 20 BHED C=C(CC)CNC(=O)[C@H](CCC)c1ccccc1 456823543 BNNUZYYKFADZAV-OAHLLOKOSA-N 245.366 3.653 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C)c(C)c1 467511291 CKJLXDYPVIKOOC-HNNXBMFYSA-N 231.339 3.844 30 20 BHED C=CCCC1(C(=O)NCCC2CCCCC2)CC1 474776477 RQXPPLGPAQSFIT-UHFFFAOYSA-N 249.398 3.819 30 20 BHED C=CCC[C@H](C)NCC1(OC)CCC(C)CC1 475427065 FRQJMHXAIJHUBV-SLTAFYQDSA-N 239.403 3.526 30 20 BHED CCC[C@@H](C(=O)Nc1ccc(C#N)cc1)C(C)C 484637476 KINYIUULCNUNOG-CQSZACIVSA-N 244.338 3.569 30 20 BHED C=C(C)CN(CC)C/C=C/c1ccc(F)cc1 505881841 UBZJMDLGDCRVJQ-AATRIKPKSA-N 233.330 3.737 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H](C)C(CC)CC 539431157 WNMDADIYNIRLOH-STQMWFEESA-N 239.403 3.920 30 20 BHED C=CCC(C)(C)C(=O)NCC1(C)CCCCC1 556610398 HQMCWSHJWCLELD-UHFFFAOYSA-N 237.387 3.675 30 20 BHED CCCc1cccc(CN(C)CC(C)(C)C#N)c1 556909780 LJVHZYHNLMLDDA-UHFFFAOYSA-N 244.382 3.621 30 20 BHED CC(C)N(CCC#N)Cc1cc(Cl)cs1 559126274 YSQBTYQKEDBNRI-UHFFFAOYSA-N 242.775 3.526 30 20 BHED COc1cc(-c2ccccc2C#N)ccc1Cl 589962156 BYRXYTJYKONWTM-UHFFFAOYSA-N 243.693 3.887 30 20 BHED CCC(CC)CSCC1(CC#N)CC1 596379115 COTXBEQLZHHIMK-UHFFFAOYSA-N 211.374 3.850 30 20 BHED C[C@@H](CCNC[C@H](C)CCC#N)c1ccccc1 602527460 QXYYOSOMYWKZKI-CABCVRRESA-N 244.382 3.710 30 20 BHED CC(C)CC(C)(C)CNC[C@@H](C)CCC#N 602572780 NFBHPCWUBVUARA-ZDUSSCGKSA-N 224.392 3.588 30 20 BHED N#CCC1(CN2CCC[C@@H]2c2ccsc2)CC1 602763148 NJEYQSFEKRZCGM-CYBMUJFWSA-N 246.379 3.579 30 20 BHED C=CCC1(NCc2cccc(C)c2O)CCCC1 690722798 MRTQXWYAMUMENW-UHFFFAOYSA-N 245.366 3.679 30 20 BHED Fc1cccc(F)c1NN=C/C=C/c1ccco1 735616154 YJXSDHYQRNARCR-CNRUJLEGSA-N 248.232 3.669 30 20 BHED CCON=C(C)c1ccc(C(C)(C)C)cc1 767461934 LSGYZSIGOFYVEI-UHFFFAOYSA-N 219.328 3.745 30 20 BHED C=C[C@@H](CC(=O)OCC=C(C)C)c1ccccc1 775281821 ZUEPUXLTOPNEJG-AWEZNQCLSA-N 244.334 3.856 30 20 BHED C=C(Cl)CSCc1ccc(C#N)cc1 788097239 ANKPULYKDSQKPY-UHFFFAOYSA-N 223.728 3.544 30 20 BHED CC(C)CCCCCCN[C@@H]1CC[C@H](C#N)C1 799716800 YDXCPPJNALVHDL-LSDHHAIUSA-N 236.403 3.875 30 20 BHED CC1=CC(=NOC/C=C\Cl)CC(C)(C)C1 811668809 KEBOZHJKCZZZJB-PYEQFRRTSA-N 227.735 3.878 30 20 BHED C[C@H](NN=C1CCCCC1(C)C)c1ccncc1 819815533 ARBBIITWKMCGQC-LBPRGKRZSA-N 245.370 3.688 30 20 BHED CCC[C@@H](C)CC(=O)O[C@H](C)CC(C)(C)C#N 851211097 ZOMAWQGXRBXSFA-VXGBXAGGSA-N 239.359 3.684 30 20 BHED Cc1cc(Cl)ccc1CN(C1CC1)[C@H](C)C#N 852482586 ZJNJVXQTMPAHGB-LLVKDONJSA-N 248.757 3.525 30 20 BHED C=CC[C@H]1CCCCC1=NNc1ncccc1C 853337961 YPIOPSPULOJIRI-ZDUSSCGKSA-N 243.354 3.924 30 20 BHED Cc1ccc(F)cc1NN=C1CCC1(C)C 853393897 UCQLOEAFLAOIRY-UHFFFAOYSA-N 220.291 3.722 30 20 BHED C=CCN(C(=O)c1ccc(CF)cc1)C(C)(C)C 857653196 CBWQPNNBDVSJLE-UHFFFAOYSA-N 249.329 3.583 30 20 BHED Cc1cccnc1NN=C1CC2(CCCC2)C1 901235060 UAYQIGVCZXQTQF-UHFFFAOYSA-N 229.327 3.512 30 20 BHED CCCC1CCN(Cc2cc(C#N)cs2)CC1 1323302100 BMXWTAXOZDFTBW-UHFFFAOYSA-N 248.395 3.632 30 20 BHED C[C@@H]1CCN(CCC2(C#N)CCCCC2)C[C@@H]1C 1653797026 WRJVIJCHSQWNAX-CABCVRRESA-N 248.414 3.828 30 20 BHED Cc1ccc(SCCCC#N)c(C)c1 19847608 GTFPJNDOUHCRNZ-UHFFFAOYSA-N 205.326 3.699 30 20 BHED CCc1ccccc1NCc1ccc(C#N)cc1 19956619 SIBRJZGDCYSHGP-UHFFFAOYSA-N 236.318 3.733 30 20 BHED CCc1ccc([C@@H](C)NCCCCC#N)cc1 42224820 IHMJYTFWPVYABI-CYBMUJFWSA-N 230.355 3.593 30 20 BHED CC[C@H](CC#N)N[C@H](C)c1c(C)cc(C)cc1C 54183001 URSFVERZCRJBGU-HUUCEWRRSA-N 244.382 3.955 30 20 BHED C#CCCCCN[C@H](C)c1ccccc1OCC 90397264 MRODBZYWZZTVIE-CQSZACIVSA-N 245.366 3.539 30 20 BHED C=CCCC(=O)N[C@@H](C)[C@H](C)C1CCCCC1 176700750 ITNLPNMSZMOIHZ-STQMWFEESA-N 237.387 3.674 30 20 BHED CCCCCCCCCN[C@H]1CCOC[C@H]1C 192128665 LFYMWIJVDGEHGN-CABCVRRESA-N 241.419 3.752 30 20 BHED C=C(Cl)CN1CCCc2cc(C)ccc21 302817461 XWELJCYLPYKJQC-UHFFFAOYSA-N 221.731 3.500 30 20 BHED C=CC[C@H](C)N[C@@H]1C[C@H](C)c2ccccc21 309313113 MRGKAGUIQODWAV-SLEUVZQESA-N 215.340 3.789 30 20 BHED CC(C)(CCC#N)CNc1nccc2occc12 340929034 ALNWGVWBUMUCMI-UHFFFAOYSA-N 243.310 3.570 30 20 BHED CC[C@H](NCC1(CC#N)CC1)c1ccccc1F 348409846 UQAVUIBKXLEMTN-AWEZNQCLSA-N 246.329 3.560 30 20 BHED C=CCCC1(C(=O)N[C@H](C)c2cccs2)CC1 353514029 KCULWDPFSIZRLQ-LLVKDONJSA-N 249.379 3.672 30 20 BHED C=CCCN(C)C(=O)Nc1ccc(CC)c(C)c1 466611914 SFDCZTGRHCIITI-UHFFFAOYSA-N 246.354 3.597 30 20 BHED C=CCC(CC=C)C(=O)NCC1CCC(C)CC1 467349642 YAXZSGUIRCMVSY-UHFFFAOYSA-N 249.398 3.697 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@H]1CCC(C)=C(C)C1 518773226 DIEUBPHOIGKOEB-GJZGRUSLSA-N 247.382 3.690 30 20 BHED C=C(C)COCCN[C@@H]1CCC[C@@H]1CCCC 539064914 NSJKTLCLFUPQEG-LSDHHAIUSA-N 239.403 3.528 30 20 BHED CC[C@@H](C)CCN[C@@H]1CCc2ccc(C#N)cc21 595071685 CNTMPBKJVJTFMF-MLGOLLRUSA-N 242.366 3.571 30 20 BHED C=C(C)C(C)(C)C(=O)NCc1cc(C)cc(C)c1 618158167 GHXNFSNZRJOZND-UHFFFAOYSA-N 245.366 3.522 30 20 BHED C=CCCC(C)(C)NC(=O)C1CCC2(CC1)CC2 620864733 NBWGPFCWJVVOMU-UHFFFAOYSA-N 249.398 3.818 30 20 BHED C=CCCCCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 681144934 FNRUKIOSYWLJPM-KGLIPLIRSA-N 249.398 3.697 30 20 BHED C=C(Cl)CN1C[C@@H](c2ccccc2C)C[C@@H]1C 738876572 KSJALVAOHSINNV-KBPBESRZSA-N 249.785 3.925 30 20 BHED CCCCCC[C@](C)(CCC)C(=O)OCC#N 745488082 FVGABPSFTQXRPV-AWEZNQCLSA-N 239.359 3.830 30 20 BHED C=CCCCOC(=O)c1cccc(F)c1Cl 745654939 KQJRMXGQMGXKHF-UHFFFAOYSA-N 242.677 3.602 30 20 BHED C=CCCCC(=O)N1CCc2cccc(Cl)c21 748672727 DKHCFKVTUXCBHC-UHFFFAOYSA-N 249.741 3.585 30 20 BHED C#CCCCN(Cc1ccc(Cl)cc1)C1CC1 766895394 KDPDXESWIHMYGB-UHFFFAOYSA-N 247.769 3.718 30 20 BHED C#CCN(CC)Cc1c(Cl)oc2ccccc12 769105218 LOGARYVHJRBFBV-UHFFFAOYSA-N 247.725 3.541 30 20 BHED O=C(/C=C/c1cscc1Cl)c1cccnc1 771838532 QLEKAVNLGJAJTB-ONEGZZNKSA-N 249.722 3.693 30 20 BHED CC(=NN[C@H]1C[C@H]2CC[C@H]1C2)c1sccc1C 774606042 DVUBCLXAIZLFAP-AVGNSLFASA-N 248.395 3.559 30 20 BHED CCCC(CC)=NNc1cccc([N+](=O)[O-])c1 776182620 BOOOOGOZVINKJH-UHFFFAOYSA-N 235.287 3.573 30 20 BHED C=C[C@](C)(CC)C(=O)O[C@H](C)c1ccccc1 784878506 NIVCLPQOMLQVAK-IUODEOHRSA-N 232.323 3.893 30 20 BHED CC[C@](C)(C=NNc1ccccc1Cl)OC 834917000 UBHBLMUHBBDLNQ-GFCCVEGCSA-N 240.734 3.553 30 20 BHED C/C(=C\C(=O)O[C@@H]1CCC[C@@H](C#N)C1)C(C)(C)C 839057422 XPDSLLXJGHTFND-NALFIARHSA-N 249.354 3.604 30 20 BHED Cc1ccc(C)c(NN=Cc2cccc(C#N)c2)c1 839401201 CZGURAINOZEJOH-UHFFFAOYSA-N 249.317 3.621 30 20 BHED C1=CC[C@H](C=NOCc2ccccc2)CC1 839418532 YQAFSRGNNFASTL-ZDUSSCGKSA-N 215.296 3.545 30 20 BHED C=CCN(CC=C)C(=O)c1ccccc1C(C)C 854140071 XNBLQEWPVVEMQQ-UHFFFAOYSA-N 243.350 3.624 30 20 BHED CCCC(C)=NNc1ccc(C(F)(F)F)cn1 915917964 WIFUUTYSPFJHKL-UHFFFAOYSA-N 245.248 3.688 30 20 BHED N#Cc1ccc(NCC2CCCCCCC2)nc1 917093974 ZXUCVFNYYSNAHR-UHFFFAOYSA-N 243.354 3.726 30 20 BHED Clc1cccnc1NN=CC1CCCCC1 917549551 SOCZRPFEZKMGPK-UHFFFAOYSA-N 237.734 3.713 30 20 BHED Oc1ccc(Cl)cc1/C=N\C[C@@H]1CC=CCC1 920991538 UTDTWUDUILOTAE-FFCYNSPCSA-N 249.741 3.821 30 20 BHED C[C@@H]1C[C@@H](C)N(CCCCC2(C#N)CCC2)C1 929698177 ZOLHIKHVKQKGJP-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED C=C[C@H](CC)CC(=O)Nc1cccc(C)c1F 935253317 XJTVQIIVOJASSR-LLVKDONJSA-N 235.302 3.675 30 20 BHED CC[C@H]1CCC[C@@H](Nc2cccc(CC#N)n2)C1 1321329431 VOZSGXWJXHSSCO-GXTWGEPZSA-N 243.354 3.528 30 20 BHED Cc1cc(N[C@H](C)C2CCCCC2)ncc1C#N 1612516428 RBBQFRWZMYNCDP-GFCCVEGCSA-N 243.354 3.642 30 20 BHED CCc1cccc(COc2cccc(C#N)c2)c1 1640811362 OGBSAJHJYMGESK-UHFFFAOYSA-N 237.302 3.700 30 20 BHED CC[C@@H]1CCC[C@H](CN2CCC[C@@](C)(C#N)C2)C1 1663994597 PYJZCIKXASJEOM-PMPSAXMXSA-N 248.414 3.828 30 20 BHED CC(C)c1csc(Nc2ccc(C#N)cc2)n1 49237404 XTVRGMKTBVYAIX-UHFFFAOYSA-N 243.335 3.882 30 20 BHED CCN(CCC(C)(C)C#N)Cc1cccs1 87595283 LFSFCNRGERXKRA-UHFFFAOYSA-N 236.384 3.510 30 20 BHED Cc1cc(C)cc(NCc2cc(C#N)cs2)c1 93492457 NKGWKSSSDJYKFB-UHFFFAOYSA-N 242.347 3.849 30 20 BHED C[C@@H]1C[C@@H](c2ccccc2)CN1CCCCC#N 115553342 KEHYHDSNJWJWQB-GDBMZVCRSA-N 242.366 3.558 30 20 BHED CC[C@@H](C#N)SCc1ccc(Cl)cc1 121034791 PNLLJCFJVKAZNQ-NSHDSACASA-N 225.744 3.875 30 20 BHED C=CCC[C@H](C)Nc1ccc(F)cc1OC 126888092 WSYHAALFJUHNAV-JTQLQIEISA-N 223.291 3.601 30 20 BHED C=CCCN[C@@H](C)c1cc(C)cc(C)c1 162249814 NGUUXHOCGNPLQC-ZDUSSCGKSA-N 203.329 3.530 30 20 BHED C=CC[C@H](C)N[C@H]1CCCc2cc(OC)ccc21 163318812 UCAYZOJAMDLDEN-LRDDRELGSA-N 245.366 3.627 30 20 BHED C=CCCCN(C)[C@H](C)Cc1ccccc1OC 174035219 YMNUYZSPGMHZKI-CQSZACIVSA-N 247.382 3.524 30 20 BHED C=CC[C@H](C)N[C@@H](C)[C@@H](C)c1ccc(OC)cc1 180947304 RKLPIJMMTDRTBM-MJBXVCDLSA-N 247.382 3.741 30 20 BHED Cc1cccc(/C=C/C(=O)c2ccncc2)c1C 182246454 MDYKTOZFMIELLP-VOTSOKGWSA-N 237.302 3.595 30 20 BHED CC[C@H](C)[C@@H](C)Nc1cc(F)cc(C#N)c1 227610317 FWUUOVHMDFBGHB-VHSXEESVSA-N 220.291 3.544 30 20 BHED O=C(/C=C\c1cccnc1Cl)c1ccccc1 255317582 HWKJNXMLIJUVHX-HJWRWDBZSA-N 243.693 3.631 30 20 BHED CCC(CC)CNc1cc(C(C)=O)ccc1C#N 302114125 QVMINBGSYKPQLX-UHFFFAOYSA-N 244.338 3.609 30 20 BHED N#Cc1ccn(Cc2cccc3ccccc23)c1 339194861 YWTUKERQANVERP-UHFFFAOYSA-N 232.286 3.561 30 20 BHED CCC1CCC(N(CC2(C#N)CC2)C2CC2)CC1 343157351 HCSNTKZZHQGODT-UHFFFAOYSA-N 246.398 3.723 30 20 BHED C=CCNc1cccc(C(F)(F)F)c1C 382428804 KBANQJBMYULJOH-UHFFFAOYSA-N 215.218 3.612 30 20 BHED C=CCCCCCCN[C@H](C)c1cnn(CC)c1 385170751 OOPVEJTVJOQGDT-CQSZACIVSA-N 249.402 3.690 30 20 BHED C/C(=C/c1ccccc1)CN(C)[C@@H](C)CCC#N 411629211 BNLBDCJGQYGTEZ-ZSMUJPCHSA-N 242.366 3.714 30 20 BHED C=CC(C)(C)CNCc1ncc(C(C)C)s1 449486927 WBHPDUFUNQQEMK-UHFFFAOYSA-N 238.400 3.568 30 20 BHED C=CC(C)(C)CNC[C@H]1C[C@@H]1c1ccccc1 449487615 ZOBNXWBTLQVHHW-HUUCEWRRSA-N 229.367 3.592 30 20 BHED C=CCCN(C)CC1CCC(C(F)(F)F)CC1 467285049 BEVMHTKPEDDMGJ-UHFFFAOYSA-N 249.320 3.863 30 20 BHED CC(C)N(CCC(C)(C)C#N)C1CCCCC1 537363452 JPEXVZKAHWGEGL-UHFFFAOYSA-N 236.403 3.969 30 20 BHED Cc1cccc(N(C)C[C@H](C)CCC#N)c1C 585727559 UOTBHYYOMUQCPB-GFCCVEGCSA-N 230.355 3.680 30 20 BHED CC[C@H](N[C@H](CC)c1ccc(C#N)cc1)C1CC1 595079028 CDEKSNSVVPWWKO-CVEARBPZSA-N 242.366 3.788 30 20 BHED C=CCCSCc1ccc(F)cc1[N+](=O)[O-] 596342719 NMPOHKUKLOQBJM-UHFFFAOYSA-N 241.287 3.543 30 20 BHED C[C@@H](CCC#N)CNc1ccc2ncccc2c1 602588735 NLXPSYCRGFKENF-LBPRGKRZSA-N 239.322 3.587 30 20 BHED CC#CCN1CCCCC[C@H]1c1ccc(C)o1 607735337 IJZHSIJKGJQTDJ-AWEZNQCLSA-N 231.339 3.528 30 20 BHED C=CCCC[C@H](C)NC1CCC(F)(F)CC1 647295809 VOEDCZJBNJKTQB-NSHDSACASA-N 231.330 3.899 30 20 BHED C=CCCC(C)(C)NCc1ccsc1 657804910 GZCRJBGLRZMRNY-UHFFFAOYSA-N 209.358 3.583 30 20 BHED CCC#C[C@@H](C)N[C@@H](c1ccccc1)C1CC1 678893962 XFMXMTLTNAJHFD-CJNGLKHVSA-N 227.351 3.529 30 20 BHED C/C(C=NNC1CCCC1)=C\c1ccccc1 727652385 HFMNUKOCXRCENL-POKGMEKSSA-N 228.339 3.608 30 20 BHED C=CCCCN1CCC(c2ccc(F)cc2)CC1 752096423 GWYSNDGYSUTOOF-UHFFFAOYSA-N 247.357 3.971 30 20 BHED CCC[C@@H](C)[C@@H](CC)NCc1ccc(C#N)cc1 765015027 MFNBSRWLYMGNRT-CZUORRHYSA-N 244.382 3.863 30 20 BHED CCCC(CC)=NNc1ccc(C)cc1 776184051 XGLYRUSONUQWIP-UHFFFAOYSA-N 204.317 3.973 30 20 BHED C#CCCCN1CCC[C@H]1/C=C/c1ccccc1 780400210 SCYDZKHDFFORGV-UJGDBWEASA-N 239.362 3.578 30 20 BHED C[C@H]1C[C@H](C)CCC1=NNC1CCCCC1 786043007 FBTHMSIGFCNRNS-NEPJUHHUSA-N 222.376 3.721 30 20 BHED C#CCON=C1CCC(C2CCCCC2)CC1 812234080 OSBLKJZESJEWJQ-UHFFFAOYSA-N 233.355 3.763 30 20 BHED C(CC1CC1)ON=C1CCC2(CC1)CC2 814245232 MPSZTVNEEVOBGV-UHFFFAOYSA-N 207.317 3.513 30 20 BHED CCCCCCCCNC(=N)NCC(C)(C)C 849057288 LTGSMCIMPIECIV-UHFFFAOYSA-N 241.423 3.507 30 20 BHED C=C1CC(c2noc([C@@H](C)C(C)(C)C)n2)C1 896884344 KJKURVFTRRIBLG-SECBINFHSA-N 220.316 3.653 30 20 BHED CC(C)(C#N)CN[C@H]1CC(C)(C)c2ccccc21 903100190 JSYGRBFMKBWQPI-AWEZNQCLSA-N 242.366 3.548 30 20 BHED Fc1ccccc1C=NNc1cccc(Cl)c1 916269244 ACYSHCRODUJWEA-UHFFFAOYSA-N 248.688 3.925 30 20 BHED Fc1ccc(C=NNc2cccc(Cl)c2)cc1 916269251 AJSYMDNWVQEYRY-UHFFFAOYSA-N 248.688 3.925 30 20 BHED C[C@@H](Nc1ccc(CC#N)cc1)C1CCCC1 54079552 AEVIAZYMMLCWHC-GFCCVEGCSA-N 228.339 3.743 30 20 BHED CCc1cccc(Nc2snc(C)c2C#N)c1 92912267 BTXSUBFTJGQSOT-UHFFFAOYSA-N 243.335 3.629 30 20 BHED CCCCCCCC(=O)N[C@H](C)C1CCC1 131152893 XFDRUEGENVOWBE-GFCCVEGCSA-N 225.376 3.652 30 20 BHED C=C(C)CCNCc1cccc(C(F)(F)F)c1 164418235 CBDPIRIJFFMMLN-UHFFFAOYSA-N 243.272 3.761 30 20 BHED C=C(C)CCN[C@@H](C)c1ccc(C)cc1 168052745 JJFVKZAMXHUFJT-ZDUSSCGKSA-N 203.329 3.612 30 20 BHED C#CCCCN[C@H]1C[C@H](C)c2c(C)cccc21 179429357 HGDZXNQJIUNXIJ-ZFWWWQNUSA-N 227.351 3.546 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)c1cccc(C)c1 188035338 GDSRPBNKAFSIEE-OAHLLOKOSA-N 231.339 3.560 30 20 BHED C=CCC1(C(=O)N[C@@H](C)C[C@@H](C)CC)CCC1 188287963 BCVYRGFUVFORGY-STQMWFEESA-N 237.387 3.674 30 20 BHED C[C@@H]1CC[C@H](Nc2ccc(CC#N)cc2)C[C@H]1C 251880150 RDBGYABONDDPSC-IOASZLSFSA-N 242.366 3.989 30 20 BHED Cc1cc(COc2cccc(F)c2)ccc1C#N 260833279 QOTPZVZVNSDYNW-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=CCCC(=O)Nc1cc(Cl)ccc1C 263712623 WREQPKNHQNRQKI-UHFFFAOYSA-N 223.703 3.553 30 20 BHED N#Cc1c(F)cccc1Oc1cccnc1Cl 301285320 MJGKPAUTMVMJJC-UHFFFAOYSA-N 248.644 3.538 30 20 BHED C=CCCCCCCNCc1c(C)noc1C 310280188 HAVNRAOMIQJRJY-UHFFFAOYSA-N 236.359 3.518 30 20 BHED CC(C)(C#N)CCN1Cc2cccc(Cl)c2C1 335958888 AFLCHFZWEBVOFL-UHFFFAOYSA-N 248.757 3.595 30 20 BHED CCN(CC[C@@H](C)F)[C@H](C)c1ccc(C#N)cc1 351843826 IROYQYILMSHRTL-CHWSQXEVSA-N 248.345 3.689 30 20 BHED C=C1CCN(Cc2ccc(Cl)s2)CC1 353319280 CQCFGEJZKAGEIZ-UHFFFAOYSA-N 227.760 3.554 30 20 BHED CCCC1CCC(N(C)CC2(C#N)CC2)CC1 362163593 POGSGORXSRAOKW-UHFFFAOYSA-N 234.387 3.581 30 20 BHED C=CCCC[C@H](C)Nc1cccc(Cl)n1 380170520 DLUNDUDHCMEABX-JTQLQIEISA-N 224.735 3.892 30 20 BHED C=C(C)CCN[C@@H](C)c1c(C)cccc1C 381467660 NDGOQSSAPQPZRV-AWEZNQCLSA-N 217.356 3.920 30 20 BHED CSCCCOc1cc(C)c(C#N)c(C)c1C 384050857 WRSXEKXKUAYBAI-UHFFFAOYSA-N 249.379 3.615 30 20 BHED CC(C)(C#N)CCNc1ccc2c(c1)CCCC2 404626146 CPGZFLORGJCRGB-UHFFFAOYSA-N 242.366 3.917 30 20 BHED C=CC[C@H](CC)NC(=O)C[C@@H](C)CC(C)C 410118728 BSQIFDPXWKJBHY-STQMWFEESA-N 225.376 3.530 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1cccc(F)c1C 421499945 BPHGGPYQLQKUJA-LLVKDONJSA-N 249.329 3.609 30 20 BHED CC[C@H](C)CN(CC)[C@@H](C)c1cccc(C#N)c1 442687415 XYSFRXJZQQNPFA-KBPBESRZSA-N 244.382 3.987 30 20 BHED C=CCC[C@@H](C)N1CCC[C@@]2(CCSC2)C1 451987575 YQRLPJGMMSOYDP-ZIAGYGMSSA-N 239.428 3.560 30 20 BHED C=C(C)CCOc1cc(Cl)ccc1F 505501301 NZVKCEPDZCKDDD-UHFFFAOYSA-N 214.667 3.824 30 20 BHED C=C(C)CN(CC(C)C)c1ccc(C#N)cc1 505782819 KQHJEGBCCQNNDL-UHFFFAOYSA-N 228.339 3.597 30 20 BHED C=CCCCCCN[C@H](C)c1cnccc1C 555541166 BZZLFKRCAIXGIQ-CQSZACIVSA-N 232.371 3.787 30 20 BHED C=CCCCCN(C)CCc1cccs1 575084426 FRQKPGWPADALBK-UHFFFAOYSA-N 223.385 3.579 30 20 BHED C=CCN(C(=O)c1cc(F)ccc1C)C(C)(C)C 622943311 XBEYEEVQPPOPHN-UHFFFAOYSA-N 249.329 3.561 30 20 BHED C[C@@H](CC(C)(C)C#N)NCC1CCCCCC1 695874111 UPOPRSGKCBSXIZ-ZDUSSCGKSA-N 236.403 3.875 30 20 BHED C[C@H]1CC(C)(C)C[C@@H]1Nc1cc(F)cc(C#N)c1 718564034 JAEXWEXHSWFQIY-HZMBPMFUSA-N 246.329 3.934 30 20 BHED CC(C)C(=NNc1ncccc1Cl)C1CC1 750933914 CBZRWKGDKQGKTM-UHFFFAOYSA-N 237.734 3.569 30 20 BHED C=C(C)CN1CCC(c2cccc(F)c2)CC1 752090464 ZCWPOMOVBWMSFZ-UHFFFAOYSA-N 233.330 3.581 30 20 BHED Clc1ccc(CCCON=C2CCC2)cc1 755944466 GLIBAWJAUYMFDY-UHFFFAOYSA-N 237.730 3.829 30 20 BHED CC(CC1CC1)=NNc1cccc(C)c1 756816929 YZZODGCGPHWOGF-UHFFFAOYSA-N 202.301 3.583 30 20 BHED C[C@H]1CCC(=NOCC(F)F)c2ccccc21 758899652 KMYSINKFGNXHQL-VIFPVBQESA-N 239.265 3.570 30 20 BHED CC1(C)CCCCC1=NOC1CCCC1 774597951 YTQYTIOWVTTXLZ-UHFFFAOYSA-N 209.333 3.902 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cc2ccccc2[nH]1 775632325 LUHZQWJYCUPOGV-NWDGAFQWSA-N 228.339 3.783 30 20 BHED CC[C@H](C)NN=Cc1cc(Cl)cc(Cl)c1 790191209 UWZPDHNLVKZQFS-QMMMGPOBSA-N 245.153 3.715 30 20 BHED CC(=NOC1CCC1)c1cc(C)c(F)c(C)c1 812237021 GQBOSUBBVWCRMO-UHFFFAOYSA-N 235.302 3.736 30 20 BHED CC[C@H](C)CON=C1CC(c2ccccc2)C1 814939653 XYSQHTRILOKJRF-NBFOIZRFSA-N 231.339 3.983 30 20 BHED C[C@@H]1CCC[C@H](C=NN[C@H](C)c2ccncc2)C1 819816379 ITWGQDOIJLJLCA-MCIONIFRSA-N 245.370 3.544 30 20 BHED C=CCCCCNc1ccc(F)c([C@@H](C)O)c1 834602257 NDOCREPDZHSRMA-LLVKDONJSA-N 237.318 3.647 30 20 BHED C=CC(C)(C)CC(=O)Nc1ccccc1SC 887616825 CJXZJBQITPYZJZ-UHFFFAOYSA-N 249.379 3.949 30 20 BHED C=C1CCC(c2nc(-c3ccoc3)no2)CC1 896218304 LGEZZDFBINBNRY-UHFFFAOYSA-N 230.267 3.543 30 20 BHED C=CCC1(c2nc(CC3CC3)no2)CCCCC1 904610022 KOQQHXHPNHTDHE-UHFFFAOYSA-N 246.354 3.800 30 20 BHED C=C(Cl)COC(=O)c1ccc(C(C)C)cc1 916610036 FNGSTKVRVGOGCF-UHFFFAOYSA-N 238.714 3.719 30 20 BHED C=CCC1(C(=O)O[C@@H](C)c2ccoc2)CCC1 1527028278 YAYAQXSIJQBLHY-NSHDSACASA-N 234.295 3.630 30 20 BHED C=C(Cl)CNC(C)(C)c1ccc(Cl)cc1 1617894765 RMVOITBMIGKJAT-UHFFFAOYSA-N 244.165 3.917 30 20 BHED N#Cc1ccccc1CSCc1ccccc1 19847551 PHBNADJZPNYCHM-UHFFFAOYSA-N 239.343 3.992 30 20 BHED N#Cc1cccc(CNc2ccccc2Cl)c1 19942580 QQRVTASVMZNLSN-UHFFFAOYSA-N 242.709 3.824 30 20 BHED C#Cc1cccc(NCc2ccc(CC)s2)c1 20034579 XLIDORXOPXYYIY-UHFFFAOYSA-N 241.359 3.904 30 20 BHED CN(CCCC#N)Cc1cccc2ccccc12 51993076 QKNFEMJCLDRLMR-UHFFFAOYSA-N 238.334 3.575 30 20 BHED C#CCCN[C@@H](C)c1cc(Cl)ccc1Cl 69768246 OXFXTUVYWOUBIT-VIFPVBQESA-N 242.149 3.667 30 20 BHED C=CC[C@H](C)NC(=O)C[C@H](CC)c1ccccc1 116853596 QMDYUVSTGVDGBT-KBPBESRZSA-N 245.366 3.651 30 20 BHED C[C@@H](Sc1ccccn1)c1ccc(C#N)cc1 118171711 JKAXDSJHFPEVSH-LLVKDONJSA-N 240.331 3.807 30 20 BHED C[C@H](SCc1ccon1)c1ccc(C#N)cc1 122893575 YBBMWMHNMPPEPW-JTQLQIEISA-N 244.319 3.541 30 20 BHED C=C(C)CN[C@@H](C)c1cccc(OC(F)F)c1 128480821 XZTIWICBKHFBQD-JTQLQIEISA-N 241.281 3.515 30 20 BHED C=CCOc1ccc(CN[C@@H](C)C2CCC2)cc1 160170105 AKROXFATDZAXJE-ZDUSSCGKSA-N 245.366 3.530 30 20 BHED C#CCCCCN[C@H](CC)c1ccccc1F 180941158 NRFMESMHROJJQO-OAHLLOKOSA-N 233.330 3.670 30 20 BHED C[C@@H](CCC#N)Sc1nc2ccccc2o1 188206137 LTANBCCSHYYRFW-VIFPVBQESA-N 232.308 3.612 30 20 BHED C=CC[C@H](C)N[C@@H]1CC[C@H](C)C[C@H]1CC 252730342 KYIKVCSGAYDLES-IGQOVBAYSA-N 209.377 3.755 30 20 BHED C=C1CCN(Cc2cccc(C(F)F)c2)CC1 279760260 RJZUWDTZGMMAOR-UHFFFAOYSA-N 237.293 3.776 30 20 BHED C=CC[C@@H](CC)NC/C=C/c1ccccc1 309501375 ZUAOURSWIMWIOM-INDWDQIESA-N 215.340 3.644 30 20 BHED C=CC[C@@H](CC)N[C@H]1CCCc2occc21 309624076 FGHFZKVOIKFLKR-YPMHNXCESA-N 219.328 3.601 30 20 BHED C[C@H](NC1CCC(C)(C#N)CC1)c1cccs1 336206165 JISAYNQLQYTQKH-DCBWTQNWSA-N 248.395 3.871 30 20 BHED CC(C)(CCC#N)CNC[C@@H]1CCCC1(C)C 339574787 JCPKZHSTBJMRRI-ZDUSSCGKSA-N 236.403 3.732 30 20 BHED Cc1ccc(CSCC2(C#N)CC2)cc1 344478871 BVYHCCDFMSTUMK-UHFFFAOYSA-N 217.337 3.532 30 20 BHED Cc1ccccc1CSCC1(C#N)CC1 347020041 ISVIFPSQZMOCSP-UHFFFAOYSA-N 217.337 3.532 30 20 BHED C=CCC[C@H](NC[C@@H]1CC[C@H](C)C1)C1CC1 381308749 MCPIZVILSGSAGR-GUTXKFCHSA-N 221.388 3.757 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1cc(F)ccc1F 393763515 ZLKNBWCEUFJDGT-PWSUYJOCSA-N 239.309 3.970 30 20 BHED C=CCOCCCOc1cc(C)cc(C)c1C 478814227 OCOPKUQSIBFVJG-UHFFFAOYSA-N 234.339 3.583 30 20 BHED CC#CCN1CCCC[C@@H]1c1ccc(F)cc1F 480896296 JLMBDLFADUXNSA-OAHLLOKOSA-N 249.304 3.515 30 20 BHED C=CCN(Cc1ncccc1Cl)C(C)(C)C 528553038 LJBKVMNOZGQUNZ-UHFFFAOYSA-N 238.762 3.522 30 20 BHED CCCC[C@H](C)N(CCCC)CCCC#N 550370671 UMIPMXNGJWYDDV-AWEZNQCLSA-N 224.392 3.971 30 20 BHED C=CCCN1CCCC(C)(C)[C@H]1CC=C 558832286 YNEZLRNPIHJKHI-CYBMUJFWSA-N 207.361 3.629 30 20 BHED C=CCCCCSCc1cnccc1OC 568234719 IUTIFQXNNDWCLQ-UHFFFAOYSA-N 237.368 3.680 30 20 BHED CCCC[C@@H]1CCC[C@H]1Nc1cc(C#N)ccn1 583280144 IBESXVFRTSOBBS-ZIAGYGMSSA-N 243.354 3.724 30 20 BHED CC(C)Oc1ccc(CC#N)cc1-c1ccoc1 592989758 YTCUQLQOXAHZJJ-UHFFFAOYSA-N 241.290 3.800 30 20 BHED N#CC[C@H]1CCCN(CC2CCCCCC2)C1 595620724 PIQNLNJUHUQXDW-OAHLLOKOSA-N 234.387 3.582 30 20 BHED C=CCC1(NCCCSC)CCCCC1 599610797 UNBRNMTYFFYPSJ-UHFFFAOYSA-N 227.417 3.608 30 20 BHED C=CCCOc1cccc(C(F)(F)F)c1 606756019 NNBZLVLZVLOVRS-UHFFFAOYSA-N 216.202 3.660 30 20 BHED C[C@H]1CCCC[C@@H]1CCNc1cccc(C#N)n1 609893831 MSKZSRRNJKNLJU-QWHCGFSZSA-N 243.354 3.582 30 20 BHED C=CCCCCCN(C)C(=O)/C=C(\C)CCC 739654054 KULVTORTBPFYDX-BUHFOSPRSA-N 237.387 3.938 30 20 BHED CCC[C@@H](C)C(CC)=NNc1ccccn1 748244517 NGFGIVKYLNFOPX-LLVKDONJSA-N 219.332 3.696 30 20 BHED C#C[C@H](CC)NC(=O)[C@H](CC)CCCCCC 754390827 UQPGHWSMNJEZPI-ZIAGYGMSSA-N 237.387 3.511 30 20 BHED CC(=NNc1cccc(C#N)c1)c1ccccc1C 767335988 KUSDKNUDRAMTOC-UHFFFAOYSA-N 249.317 3.703 30 20 BHED CC(C)c1nccnc1NN=C1CCCCCC1 773092406 GEUXMRJBMHMHEH-UHFFFAOYSA-N 246.358 3.722 30 20 BHED C#C[C@@H](C)NC(=O)[C@@H](CCC)CC1CCCCC1 775386097 PCPNCVNELOXFHT-HIFRSBDPSA-N 249.398 3.511 30 20 BHED C#CCCCCC(=O)OCCCC(C)(C)C 781201499 HCPBFUSZFYZYIC-UHFFFAOYSA-N 224.344 3.550 30 20 BHED Cc1ccc(F)c(NN=C[C@@H]2CC[C@@H](C)C2)c1 800814349 TYDDZYNZYJBTEF-ZYHUDNBSSA-N 234.318 3.968 30 20 BHED C[C@@H]1CCC(=NOC2CCC2)c2ccccc21 812237322 UMFXGSOCYBQUTQ-LLVKDONJSA-N 229.323 3.857 30 20 BHED CC1=CCC[C@@H](C)[C@H]1C=NOCCC1CC1 814247052 OUTRFXSEQXLGHQ-OCCSQVGLSA-N 221.344 3.781 30 20 BHED C1CCC(ON=C2CCCC23CCC3)C1 834969431 VHDWHXKNZRYADK-UHFFFAOYSA-N 207.317 3.656 30 20 BHED C=C[C@@H](C)ON=CCc1ccc(F)cc1Cl 844626469 WEBAYDQIZCPDDY-SECBINFHSA-N 241.693 3.599 30 20 BHED CCCN(CCCCC1(C#N)CCC1)C(C)C 930885168 KKLZYRTZGSSVAP-UHFFFAOYSA-N 236.403 3.971 30 20 BHED C=C(Cl)CN1CCC[C@@]1(C)CC(C)C 1194534280 PUELHKWZDOYUNL-LBPRGKRZSA-N 215.768 3.640 30 20 BHED Cc1cccc(/C=C2/Oc3ccccc3C2=O)c1 33847279 KPTDNIKMKVQUIW-XNTDXEJSSA-N 236.270 3.611 30 20 BHED C[C@@H](CC#N)N[C@H](C)c1ccc(C(C)(C)C)cc1 68609712 LHSJXJUPSIANTM-QWHCGFSZSA-N 244.382 3.937 30 20 BHED CC(C)(C#N)CCSc1ncccc1Cl 87596291 LALQHSNGRBJSRQ-UHFFFAOYSA-N 240.759 3.767 30 20 BHED CCCCCCCCC(=O)N[C@@H](CC)CC#N 115063190 KCASXGQESLALGN-ZDUSSCGKSA-N 238.375 3.545 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc(SC)c(F)c1 119329778 IZMSWYUHKOLNGP-ZJUUUORDSA-N 239.359 3.773 30 20 BHED C[C@@H]1CN(CCC(C)(C)C#N)c2ccccc21 131121231 WSBHQBXZLUIBFF-GFCCVEGCSA-N 228.339 3.550 30 20 BHED C=CCC[C@@H](NCC1(CC)CC1)C1CC1 181242408 LPUGJCHXCAGOGL-CYBMUJFWSA-N 207.361 3.511 30 20 BHED Cc1ccc(C(=O)/C=C/c2cc(F)ccc2C)o1 182281359 FXKMMIIGXPULEM-FNORWQNLSA-N 244.265 3.932 30 20 BHED Cc1ccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1 185787320 MMYBJWGHQBTFLG-OFQRWUPVSA-N 242.366 3.728 30 20 BHED C[C@@H](SC[C@@H]1CCCO1)c1cccc(C#N)c1 190783565 JAVQBMHGHWLIQR-RISCZKNCSA-N 247.363 3.531 30 20 BHED C=CCCN(Cc1c(F)cccc1F)C1CC1 192300053 FKAKFRYIGWJCAN-UHFFFAOYSA-N 237.293 3.505 30 20 BHED Cc1ccccc1CS[C@@H]1CC[C@H](C#N)C1 278510256 DZEXFZMIYCSFRO-GXTWGEPZSA-N 231.364 3.921 30 20 BHED C[C@H](CCC#N)N1CC(C)(C)[C@H]1c1cccs1 298552794 OIPYNECQTVSJKH-DGCLKSJQSA-N 248.395 3.823 30 20 BHED C=CCNc1ccc(C(F)(F)F)c(C)c1 309164472 IJTTZIXZQAHGCH-UHFFFAOYSA-N 215.218 3.612 30 20 BHED CC(C)(C#N)CN[C@H]1CCCC12CCCCC2 313094852 DDCBZQNYRIFUMB-ZDUSSCGKSA-N 234.387 3.629 30 20 BHED CC(C)(CCNCc1cc(C#N)cs1)C1CC1 328552225 VEFLTTCEVCFHFP-UHFFFAOYSA-N 248.395 3.536 30 20 BHED C[C@@H]1CCC[C@H](NC2CCC(C)(C#N)CC2)C1 336214310 GUALFCDTJIIXDS-JLVJUDLZSA-N 234.387 3.627 30 20 BHED C=C(CC)CN[C@@H](C)c1csc(C(C)C)n1 336779632 OYVICBAUKYRFDW-NSHDSACASA-N 238.400 3.883 30 20 BHED C[C@]1(NCCCCC#N)CCCc2ccccc21 341710039 VSFUGYGXVLAUNC-INIZCTEOSA-N 242.366 3.522 30 20 BHED CC[C@H](c1ccccc1)N(CC)CC1(C#N)CC1 347456349 DXAXIBVNYQTMTM-OAHLLOKOSA-N 242.366 3.763 30 20 BHED C[C@H]1CC[C@@H](C)C[C@@H]1NCc1ccc(C#N)s1 421348105 DYFKLGOAKKQRMG-SUNKGSAMSA-N 248.395 3.534 30 20 BHED Cc1cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c(C)s1 424333073 UFGCPSZLDUIPKK-KGYLQXTDSA-N 248.395 3.708 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 424525707 AVRXKIHJFCWSCY-RWMBFGLXSA-N 237.387 3.530 30 20 BHED Cc1ccc([C@H](C)N(C)CC2(C#N)CCC2)cc1 450259820 ACXIQDNQQGJODM-AWEZNQCLSA-N 242.366 3.682 30 20 BHED C=CCCCCNC(=O)[C@H](C)C(CC)CC 471672228 TZZKZMULJYVILI-GFCCVEGCSA-N 225.376 3.531 30 20 BHED C=C(C)COc1cccc(NC[C@H]2C[C@H]2C)c1 488328832 XNPWMRREXSDYSI-CHWSQXEVSA-N 231.339 3.709 30 20 BHED CCc1ccc(CCSCC2(C#N)CC2)cc1 537319371 XTLGTBOFILYWQC-UHFFFAOYSA-N 245.391 3.828 30 20 BHED CCCCCN(CC1(C#N)CC1)[C@@H](C)CCC 538350187 DUQJLKOFYYQXIN-AWEZNQCLSA-N 236.403 3.971 30 20 BHED CC(C)C(CN(CC#N)C1CCCC1)C(C)C 551802705 OJLAXHMTLFGODM-UHFFFAOYSA-N 236.403 3.683 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)C1CCOCC1 553103941 DXAIEUAULGJYPA-KBPBESRZSA-N 239.403 3.526 30 20 BHED N#Cc1cnccc1/C=C/c1cscc1Cl 585818737 VDYQTVHTOTUZSL-OWOJBTEDSA-N 246.722 3.839 30 20 BHED CCC[C@@H]1CCCCN1C[C@H](C)CCC#N 602613109 OXZNMLGALXYNHZ-ZIAGYGMSSA-N 222.376 3.581 30 20 BHED C=C(C)C(C)(C)c1nc([C@@H](C)c2ccco2)no1 621792793 NMIAPAILMQNIQM-JTQLQIEISA-N 246.310 3.668 30 20 BHED C=CCCC(C)(C)NCc1ccc(F)cc1 657804922 HJRRSBGAEVAMLD-UHFFFAOYSA-N 221.319 3.660 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H]1CCc2ccc(O)cc21 658237209 CKPGLCQYVDGQRN-MKBNYLNASA-N 245.366 3.570 30 20 BHED FC(F)CON=C1CCC[C@H]1c1ccccc1 758899001 BUKDDTVJUISENY-NSHDSACASA-N 239.265 3.592 30 20 BHED C#CC[C@H](N[C@@H](CC)C1CC1)c1ccccc1 773114236 HHQNQJNEFRRSDY-HOTGVXAUSA-N 227.351 3.529 30 20 BHED Cc1ccc(F)cc1C=NNc1ccc(F)cc1 777878534 HEGUGSAJMNNHPI-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C=CCCCCC[C@H](C)N[C@H](C)[C@@H]1CCOC1 793536380 TYOPSQFBPNUWCB-RRFJBIMHSA-N 239.403 3.526 30 20 BHED C#Cc1ccc(CNc2ccc(C)c(F)c2)cc1 809596804 RUCLPJVHQXNBNR-UHFFFAOYSA-N 239.293 3.728 30 20 BHED CCSc1ccc(C(C)=NOCC2CC2)cc1 814240933 BPEMGCSJDXZQSN-UHFFFAOYSA-N 249.379 3.949 30 20 BHED CC(CCc1ccccc1F)=NOCC1CC1 814240973 AJTIBUCIVVFRCO-UHFFFAOYSA-N 235.302 3.561 30 20 BHED C=CC(C)(C)C(=O)OC[C@H]1CCCCC1(F)F 835636895 WCADEAFTLSNUBG-SNVBAGLBSA-N 246.297 3.567 30 20 BHED CCCC[C@@H](NC(=O)C#CC(C)(C)C)C1CCC1 837462218 PFKQEQZKHKSLRN-CQSZACIVSA-N 249.398 3.511 30 20 BHED C=C[C@@H](C)ON=C1CCCC12CCCC2 844621339 YNNZSUVNLZJOOR-LLVKDONJSA-N 207.317 3.678 30 20 BHED C=CCC(CC=C)C(=O)O[C@@H](C)CC(C)(C)C#N 851209003 HQBMCZFYGRCUMO-LBPRGKRZSA-N 249.354 3.626 30 20 BHED C(=NOC1CCCC1)c1cc2ccncc2s1 853327716 BAEZTPMTHGDSKR-UHFFFAOYSA-N 246.335 3.589 30 20 BHED C=CC[C@@H](C)C(C)=NNc1ccc(Cl)cn1 853437430 NJZCVZUJMBPKSR-SECBINFHSA-N 237.734 3.735 30 20 BHED C=C1CCC(C(=O)N[C@H](C)c2ccsc2)CC1 890439889 CFWLKMJPIGHDBI-LLVKDONJSA-N 249.379 3.672 30 20 BHED Fc1ccc(NN=C[C@H]2CC=CCC2)c(F)c1 916248281 XQDGPDYRSVQDSE-JTQLQIEISA-N 236.265 3.719 30 20 BHED C=CCN(CCCCC1(C#N)CCC1)C1CC1 930176072 QJUYIPZVAJQYNW-UHFFFAOYSA-N 232.371 3.501 30 20 BHED N#CC1(CC(=O)O[C@@H]2C=CCCC2)CCCCC1 1118417342 WNLWETWNXXXFOS-CYBMUJFWSA-N 247.338 3.502 30 20 BHED C=C(C)CCC(=O)N[C@@H]1CCCc2sccc21 1337223752 SHTLUDLMSUICHR-GFCCVEGCSA-N 249.379 3.598 30 20 BHED CC(C)(C)[C@H]1CCC[C@@H]1Nc1ccc(C#N)cn1 1458425457 DMOUYQKLMIIVGG-STQMWFEESA-N 243.354 3.580 30 20 BHED C[C@@H](CCC#N)CN[C@@H](C)C1CCCCCC1 1659379995 XCTWYZDGUIUOBQ-KBPBESRZSA-N 236.403 3.875 30 20 BHED C=C(C)CCC(C)=NNc1ccccc1C(=O)O 1776031752 VPGFBSFBAIAUHP-UHFFFAOYSA-N 246.310 3.529 30 20 BHED C[C@H]1C[C@H](C)CN(c2cc(Cl)ccc2C#N)C1 62789844 CTKCXPDRPDSARX-QWRGUYRKSA-N 248.757 3.694 30 20 BHED CCc1ccc([C@H](NCCCC#N)C(C)C)cc1 96982076 PFPQAVZKNHWZDQ-MRXNPFEDSA-N 244.382 3.839 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cccc(F)c1F 133646452 OJOMUYZTPPENJG-NXEZZACHSA-N 225.282 3.580 30 20 BHED O=C(/C=C/C=C/c1ccc(F)cc1)c1ccco1 158889862 YZWLZEOCGSMJGX-GRSRPBPQSA-N 242.249 3.871 30 20 BHED C=CCN(C)C(=O)[C@H](CCC)CC1CCCC1 161390688 YHIJIPQRWACUMR-CQSZACIVSA-N 237.387 3.627 30 20 BHED Cc1cc(F)ccc1N[C@H]1CCC[C@@H](C#N)C1 185733096 HUGBGVYVOPYOOF-YPMHNXCESA-N 232.302 3.628 30 20 BHED C=C(Cl)CN[C@@H]1CC[C@@H](C)C[C@H]1CC 252732046 SULKSJVCQIRPBU-YUSALJHKSA-N 215.768 3.543 30 20 BHED Cc1cc([C@H](C)N[C@@H](C)CCC#N)c(C)s1 299720742 SGQHPHRRBWVOGL-ONGXEEELSA-N 236.384 3.708 30 20 BHED CC1(C)C[C@@H](Sc2cccc(C#N)c2)CCO1 334577808 KIQRWTWYYHIBBU-ZDUSSCGKSA-N 247.363 3.608 30 20 BHED C=CCCCCNCc1ccsc1C 336693141 QXJQGRKDINIARD-UHFFFAOYSA-N 209.358 3.502 30 20 BHED N#C[C@H]1CCC[C@@H](NC(C2CCC2)C2CCC2)C1 353975779 VXEQWQIUEVEZNR-SWLSCSKDSA-N 246.398 3.627 30 20 BHED C=CC[C@@H](CC)Nc1ccc(Cl)cn1 379593238 BKPDXMJEGAULPT-SNVBAGLBSA-N 210.708 3.502 30 20 BHED C=C(CC)CNc1ccc(Cl)cc1OC 379916905 DBCBFZBILWOPBG-UHFFFAOYSA-N 225.719 3.727 30 20 BHED C=C[C@@H]1CCCCN1Cc1cccc2cc[nH]c12 426545605 QGTQDGQHHTYFGB-OAHLLOKOSA-N 240.350 3.708 30 20 BHED CC(C)(C)[C@H]1CCCC[C@@H]1NCC1(CC#N)CC1 430748382 DHGGKFCOFGOYMT-KBPBESRZSA-N 248.414 3.875 30 20 BHED C=CCC[C@H](Nc1ccc(F)c(OC)c1)C1CC1 437051460 RGPZELWCNYYXNZ-AWEZNQCLSA-N 249.329 3.991 30 20 BHED CCc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1C 442829053 OHTGAETYAJFTEG-DOMZBBRYSA-N 228.339 3.662 30 20 BHED C=CC[C@@H](C)NC[C@@H](C)c1cc(F)cc(F)c1 449151009 VEDVRHQVRHADJR-GHMZBOCLSA-N 239.309 3.623 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCc1cc(C)cs1 449475054 DXSSGTWAKUJQFL-VXGBXAGGSA-N 223.385 3.747 30 20 BHED C=CCC1(C(=O)N2CCC(C)(C)CC2)CCCC1 449826613 KECDWZJHLSSFBU-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=C(CC)CN[C@H](C)c1ccc2ccccc2n1 453357764 LMTZZMYYJXHXJR-CYBMUJFWSA-N 240.350 3.852 30 20 BHED C=C(CC)CN[C@@H](CC)c1ccc(C#N)cc1 453366250 PKDUDONJIGCALA-HNNXBMFYSA-N 228.339 3.565 30 20 BHED C[C@H](CC(C)(C)C)NC1CCC(C)(C#N)CC1 453409750 GISYLKRRLAKCTQ-DNOWBOINSA-N 236.403 3.873 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@H](CCC)C(C)C 488825570 YZPZXVNLVXTKMQ-ZIAGYGMSSA-N 237.387 3.626 30 20 BHED C=CCN(CCc1ccco1)C[C@H]1CC=CCC1 495200191 IFLNTTFHDDJCBO-HNNXBMFYSA-N 245.366 3.666 30 20 BHED C=CCCCN(CC)Cc1ccc(C)cc1 522775661 RXOGHTYPFCYBDC-UHFFFAOYSA-N 217.356 3.783 30 20 BHED C=CCC[C@@H](CC)N[C@H](C)c1ccc(C#N)cc1 531695425 TUOQJKMMCJKCND-CZUORRHYSA-N 242.366 3.954 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@H](CC)C(C)C 538328534 AXSXHIJOUKVDKI-KBPBESRZSA-N 239.403 3.920 30 20 BHED C=CCCC1(C(=O)N(C)[C@@H](C)CCCC)CC1 569465664 MSQXMTWBZOGGCB-ZDUSSCGKSA-N 237.387 3.770 30 20 BHED C=C[C@](C)(CC)c1nc(CC2CCCC2)no1 569993132 ANWHUMXKHHALEN-CQSZACIVSA-N 234.343 3.656 30 20 BHED C=CCCCC[C@H](C)N[C@H]1C[C@H](C)O[C@H](C)C1 582955767 HZGDYFQGBKSYQL-XQLPTFJDSA-N 239.403 3.667 30 20 BHED C=CC[C@@H]1CCCC[C@H]1NCC(C)(C)OCC 657983837 YFTAWWQLAWNZFJ-ZIAGYGMSSA-N 239.403 3.526 30 20 BHED C=CC[C@H]1CCCC[C@@H]1N[C@H](C)C1CC1 658028232 RFNYNZBCSOYULK-XBFCOCLRSA-N 207.361 3.509 30 20 BHED CCC#C[C@@H](C)Sc1ncnc2sccc12 671151213 QNIQKEQBHBKQEZ-SECBINFHSA-N 248.376 3.585 30 20 BHED C=C(C)CSc1ccc(COC)cc1 673891496 SCEVSOIOBDPIJY-UHFFFAOYSA-N 208.326 3.501 30 20 BHED C[C@@H]1CCCC(=NNCCCc2ccccc2)C1 729146029 KIGXQRRZKOGWFW-CQSZACIVSA-N 244.382 3.775 30 20 BHED C(=Nn1cnc2ccccc21)C1CCCCCC1 741847558 NAUHNNVSELKBAZ-UHFFFAOYSA-N 241.338 3.841 30 20 BHED CC(=NNc1cc(C)cc(C)c1)C1CCOCC1 755886076 JPOILBSGSNMVID-UHFFFAOYSA-N 246.354 3.518 30 20 BHED C#CCNc1ccc(-c2ccccc2)c(C)c1 762535285 XGXVFOJMTCMAMF-UHFFFAOYSA-N 221.303 3.707 30 20 BHED CC(C)CON=C(Cc1ccccc1)C(F)F 769583832 GSZROIGAYPWPAV-UHFFFAOYSA-N 241.281 3.523 30 20 BHED CCCCCCCC[C@@H](C)CC(=O)N1CCC1 775129603 GOMDNWFNEPHJQU-CQSZACIVSA-N 239.403 3.996 30 20 BHED CCC1CCC(=NNc2ccnc(F)c2)CC1 781133330 CTSUTQZINGQLKQ-UHFFFAOYSA-N 235.306 3.589 30 20 BHED C=C(C/N=C\c1ccccc1O)c1ccccc1 806551280 SBAZEPGTNMCKEK-ATVHPVEESA-N 237.302 3.525 30 20 BHED CCCC[C@@H](C)C(C)=NOCCSC 807985821 AHRUUDKRKYITFW-SNVBAGLBSA-N 217.378 3.568 30 20 BHED Cl/C=C/CON=C1CCC[C@H](C2CC2)C1 811672320 WJAHDGDPOLYOOA-WWYRCWQZSA-N 227.735 3.712 30 20 BHED C=C(C)CNc1ccc(-c2ccccn2)cc1 811791174 QWDMOASICUMEOZ-UHFFFAOYSA-N 224.307 3.737 30 20 BHED CCC(=NNCc1ccccc1)c1ccccc1 916343756 FKVQNGOOLCERAM-UHFFFAOYSA-N 238.334 3.591 30 20 BHED CC(C)c1cccc(CN2CCC[C@@H](C#N)C2)c1 1175999590 BGAWCWHQTIRUNS-HNNXBMFYSA-N 242.366 3.546 30 20 BHED C=CCC(C)(C)c1nnc(-c2cc(C)cs2)o1 1331896249 PUOSASYWASFWQB-UHFFFAOYSA-N 248.351 3.960 30 20 BHED Cc1ccc(/C=C/C(=O)c2cccnc2)c(C)c1 7739467 XHBGXLFJPWYANA-BQYQJAHWSA-N 237.302 3.595 30 20 BHED CCCCSc1ccc(C#N)cc1F 36886998 YWSTXWQMSWLWNU-UHFFFAOYSA-N 209.289 3.590 30 20 BHED CC[C@H](CC#N)NCc1cccc2ccccc12 52061609 VXIJRUPZZSOJBE-OAHLLOKOSA-N 238.334 3.622 30 20 BHED C[C@H](CC#N)N[C@H](C)c1cccc2ccccc12 68608481 UESSCZMNMFUGRX-CHWSQXEVSA-N 238.334 3.793 30 20 BHED C#Cc1cccc(NCc2cccc3[nH]ccc23)c1 80331975 VDWOHKIUXWZOFV-UHFFFAOYSA-N 246.313 3.761 30 20 BHED Cc1ccc(C(=O)/C=C/c2ccc(F)c(C)c2)o1 103717421 DJOJZQNQBHYLSP-FNORWQNLSA-N 244.265 3.932 30 20 BHED C[C@H](N[C@@H]1CCC(C)(C)C1)c1ccc(C#N)cc1 124976051 YTGRFKFJOYHXKC-SWLSCSKDSA-N 242.366 3.788 30 20 BHED C[C@@H](c1ccc(C#N)cc1)N(C)CC1CCCC1 128194585 OMMGLXFCYQSYCK-ZDUSSCGKSA-N 242.366 3.741 30 20 BHED CC[C@@H](CC#N)N[C@@H](CC)Cc1ccc(C)cc1 133197306 FWVVODGIBGMZHP-HOTGVXAUSA-N 244.382 3.598 30 20 BHED COCCCCCSCc1ccccc1C#N 172038451 DWEYLPXCUGWRFZ-UHFFFAOYSA-N 249.379 3.608 30 20 BHED CCC(CC)CC(=O)Nc1cc(C#N)ccc1C 177691433 HSZIYOCFXLBYHG-UHFFFAOYSA-N 244.338 3.632 30 20 BHED C=CCCSCc1ccc(-n2ccnc2)cc1 177856023 IUHGVPIVDXROOL-UHFFFAOYSA-N 244.363 3.682 30 20 BHED Cc1cc(C#N)ccc1OC/C=C\c1ccccc1 210395021 OIXBHRFTIXVKLT-YVMONPNESA-N 249.313 3.959 30 20 BHED C=C(CN[C@@H]1CCCC[C@H]1C)c1ccccc1 211842451 NPAQANKDFPLHAE-CZUORRHYSA-N 229.367 3.868 30 20 BHED CCC[C@@H](CC)Nc1ccc(OCC#N)cc1 225820594 OJIHHUBWEHOUIY-GFCCVEGCSA-N 232.327 3.580 30 20 BHED CC(C)=CCOc1ccc(C#N)c(Cl)c1 226056228 XLPBAXKMERLQNJ-UHFFFAOYSA-N 221.687 3.557 30 20 BHED Cc1ccccc1CON=Cc1cccs1 251180720 VKSBFRDDFWBALF-UHFFFAOYSA-N 231.320 3.607 30 20 BHED CC[C@](C)(C#N)C(=O)O[C@@H](C)c1ccccc1C 285571704 GQTGLNPQXNOHSZ-SWLSCSKDSA-N 245.322 3.539 30 20 BHED N#CCC1(COc2cc(F)ccc2Cl)CC1 304194809 BCNAWWPSKPHRNO-UHFFFAOYSA-N 239.677 3.552 30 20 BHED C#C[C@@H](CC)NCc1csc(Cl)c1Cl 308616405 RUYAIYMAAMJQIB-QMMMGPOBSA-N 248.178 3.556 30 20 BHED C=CCCCCC[C@H](C)N[C@@H]1CSC[C@H]1C 309540324 FRYITNWADVUVBI-HZSPNIEDSA-N 241.444 3.853 30 20 BHED C=CC[C@H](C)[C@@H](C)NC[C@H]1CCC(F)(F)C1 309721781 BZLKVZZBWPTSIX-TUAOUCFPSA-N 231.330 3.612 30 20 BHED C=CCC(C)(C)CNCc1ccccc1OCC 310869434 PLNXNKFJCQVDHZ-UHFFFAOYSA-N 247.382 3.777 30 20 BHED N#CCc1cccc(NC[C@@H]2CC=CCC2)c1 313457427 ZMYBQKLANDILRN-CQSZACIVSA-N 226.323 3.521 30 20 BHED Cc1ncsc1CSc1ccccc1C#N 334895325 QNWCPVAEIOIBQO-UHFFFAOYSA-N 246.360 3.616 30 20 BHED C[C@H]1C[C@@H](C(C)(C)C)CCN1CCCCC#N 347623344 XRRPIIARVMAIRS-KBPBESRZSA-N 236.403 3.827 30 20 BHED C=CCCCCN[C@@H](C)c1ccnc(Cl)c1 381329796 SRXRVMVUIQTRBO-NSHDSACASA-N 238.762 3.742 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCCc2cc(N)ccc21 414941820 YXXWYGAILHJPPH-BLLLJJGKSA-N 244.382 3.591 30 20 BHED CC[C@@H](C)C[C@@H](C)NCc1ccc(C#N)c(C)c1 444001924 MALPRZBRSGKEJS-TZMCWYRMSA-N 244.382 3.781 30 20 BHED C=CCCCC[C@@H](C)NC[C@H]1CCCSC1 449332834 SUEPTCRHPCEXNR-ZIAGYGMSSA-N 241.444 3.854 30 20 BHED C=C(C)CCN[C@H]1CSCCc2ccccc21 449473319 HQPWUIDYJVELFJ-HNNXBMFYSA-N 247.407 3.573 30 20 BHED Cc1ccc2c(c1F)N(CCCCC#N)CCC2 459523792 LYKQXRNJOBIWPJ-UHFFFAOYSA-N 246.329 3.581 30 20 BHED C=CCCC(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 469751697 KCSYYHTUZTYPRE-KGLIPLIRSA-N 237.387 3.674 30 20 BHED C=C(CC)CN(Cc1ccccc1F)C1CC1 537993294 QWVVNHUYAGNNEY-UHFFFAOYSA-N 233.330 3.756 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 540539220 VBXYOZJNSIXFED-ZQDZILKHSA-N 249.398 3.674 30 20 BHED CCC(CC)N(CCC(C)(C)C#N)C1CC1 540668303 WFLZCRUQTMLRQE-UHFFFAOYSA-N 222.376 3.579 30 20 BHED C=CCCCc1nc(-c2cccc(Cl)c2)no1 546944329 JTYQCPKJNJDPOI-UHFFFAOYSA-N 248.713 3.899 30 20 BHED C=CCCCCN[C@@H](CC)c1nc(C)cs1 565698286 NIZUJRUDNUDEDL-LBPRGKRZSA-N 238.400 3.849 30 20 BHED C=CCC[C@H](CC)N[C@@H]1c2ccccc2O[C@@H]1C 574960820 CINBLANHGBVOPU-WWGRRREGSA-N 245.366 3.843 30 20 BHED CC(C)CCN(C)c1c(Cl)cccc1C#N 610273631 BPZCRYAKTZEYNM-UHFFFAOYSA-N 236.746 3.694 30 20 BHED C=CCC[C@H](CC)N[C@@H](C)c1cccc(C#N)c1 610830085 CLHDCOURAXYENM-BBRMVZONSA-N 242.366 3.954 30 20 BHED C=C(C)c1ccc(OCC2CCOCC2)cc1 649444544 YWBUVCVQBBBFAL-UHFFFAOYSA-N 232.323 3.525 30 20 BHED C=CCCC(C)(C)NCc1cc2cnccc2o1 657805839 FJIGNZNTRFWWGJ-UHFFFAOYSA-N 244.338 3.662 30 20 BHED C=C(C)CN(C)Cc1ccc(C(C)(C)C)cc1 675591479 GHALSAMIOYPNEJ-UHFFFAOYSA-N 231.383 3.992 30 20 BHED C=CCCOC(=O)c1ccc(C(C)C)cc1 729073270 LVXXEOSMIUCZDO-UHFFFAOYSA-N 218.296 3.543 30 20 BHED C=CCCCOC(=O)C[C@H]1CCCC[C@@H]1C 735533806 ZFXHOECTSIGYGP-QWHCGFSZSA-N 224.344 3.712 30 20 BHED C=C[C@H](C)NC(=O)C[C@@H](C)CCCCCC 757010028 GIAJTBCICUMFDV-STQMWFEESA-N 225.376 3.674 30 20 BHED CC(CC1CCC1)=NNc1cc(F)cc(F)c1 758372367 MYNMVGATAGTUKU-UHFFFAOYSA-N 238.281 3.943 30 20 BHED Cc1cc(C)c(NN=C[C@@H]2C[C@H]2C)c(C)c1 758379887 ZQCSLRYCJBWJLR-MFKMUULPSA-N 216.328 3.666 30 20 BHED C=CC[C@H](C)[C@H](C)NCc1ccc(C)c(F)c1 764737913 KCJYDTHEGLGRTM-AAEUAGOBSA-N 235.346 3.824 30 20 BHED C(=NOC1CCCC1)c1cc2ccccc2o1 774609339 VMRHTMSOLFDXBZ-UHFFFAOYSA-N 229.279 3.726 30 20 BHED C=C(C)COC(=O)c1ccccc1SCC 806021338 CFXSVVTUWDNUJR-UHFFFAOYSA-N 236.336 3.532 30 20 BHED C[C@H]1CCC(=NNCC2CCCC2)C[C@@H]1C 808007106 PNRGPKAOTZCOFF-RYUDHWBXSA-N 222.376 3.578 30 20 BHED C#C[C@@H](N[C@H](C)C1CCC1)c1ccc(Cl)cc1 811517178 KCYGQOTUDZGDCX-IAQYHMDHSA-N 247.769 3.793 30 20 BHED CC[C@H](C=NOCC1CC1)c1ccccc1 814941452 YAAPJKXDHFDMBU-CYBMUJFWSA-N 217.312 3.593 30 20 BHED Clc1cc(NN=C2CCC23CCCC3)ccn1 853395094 KNKIXGMHKRPBRH-UHFFFAOYSA-N 249.745 3.857 30 20 BHED CCCCCCCCNC(=O)c1cocc1C 860403237 VOGIWXVWZRNZBH-UHFFFAOYSA-N 237.343 3.678 30 20 BHED CC(C)SCSc1cccc(F)c1C#N 863337164 WRSWOTFUFQOXPK-UHFFFAOYSA-N 241.356 3.889 30 20 BHED C=COc1ccc(NC[C@@H](C)CCC#N)cc1 877582860 BAJVUYHGQWMENN-LBPRGKRZSA-N 230.311 3.561 30 20 BHED Cc1cccc(OCCCCC2(C#N)CCC2)n1 902726262 KMKYSEVTNNSQHK-UHFFFAOYSA-N 244.338 3.633 30 20 BHED C[C@@H]1C[C@@H](NCC2(C#N)CCC2)c2ccccc21 903035440 PHIIXIYYKVBETD-IUODEOHRSA-N 240.350 3.518 30 20 BHED Cc1cc(N2C[C@H](C)c3ccccc32)ncc1C#N 1559218396 YEYOCTHYVZLAGR-LBPRGKRZSA-N 249.317 3.517 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccccc1 39169160 GSMCIOTVJSEPSR-OCCSQVGLSA-N 203.329 3.692 30 20 BHED CC(C)c1ccc(Nc2ccnc(C#N)c2)cc1 61814818 HSJDEXSYTZDDIR-UHFFFAOYSA-N 237.306 3.820 30 20 BHED CCCCCCCNCc1cnc(C)s1 103535674 QWCHEPLBGNFDAP-UHFFFAOYSA-N 226.389 3.512 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@H]1CC 123231112 MITFQSKHUXQEQH-UKRRQHHQSA-N 249.398 3.840 30 20 BHED C=CCCCC(=O)N(C)[C@H](C)c1ccc(F)cc1 177491661 AZHJTCILQDHFLR-GFCCVEGCSA-N 249.329 3.701 30 20 BHED C=CCCCC(=O)N1CCC[C@H]1[C@H](C)CCC 178112423 RFWRWAAMUNYVGN-KGLIPLIRSA-N 237.387 3.770 30 20 BHED C[C@H]1C[C@H](C)CC[C@H]1NCc1ccc(C#N)s1 226266123 UBKYHFXMWDNCHQ-UHIISALHSA-N 248.395 3.534 30 20 BHED C=CCC(C)(C)C(=O)Nc1cccc(C)c1 292304917 UYISTTSAWGTTBD-UHFFFAOYSA-N 217.312 3.536 30 20 BHED C=C(Br)CSC[C@H](C)CC 307194652 PWXKGOBVGACZDF-SSDOTTSWSA-N 223.179 3.674 30 20 BHED C#CCCN[C@@H](c1ccccc1Cl)C(C)C 309362189 OWQOGBXVAORDCE-CQSZACIVSA-N 235.758 3.650 30 20 BHED CC(C)COCCSCCCC(C)(C)C#N 336968364 AQLJMJLKYFJECH-UHFFFAOYSA-N 243.416 3.722 30 20 BHED C=CCC[C@H](N[C@H](C)[C@@H](C)OC)c1ccccc1 358343336 SRNLWPKFJUZVCC-FMKPAKJESA-N 247.382 3.707 30 20 BHED C=CCSCc1ccc(-n2ccnc2)cc1C 359059530 AYYHBNUNCNYGSN-UHFFFAOYSA-N 244.363 3.600 30 20 BHED CC[C@H]1CCCN1Cc1ccc(Cl)cc1C#N 359853237 FNVRNHYSGMODTB-AWEZNQCLSA-N 248.757 3.586 30 20 BHED CC[C@@H]1CCCN1Cc1ccc(Cl)cc1C#N 359853238 FNVRNHYSGMODTB-CQSZACIVSA-N 248.757 3.586 30 20 BHED C=CCCC[C@H](C)N[C@H]1CCCc2cccnc21 398190094 RDKOEUILFITPTD-ZFWWWQNUSA-N 244.382 3.793 30 20 BHED C[C@@H]1CC[C@@H](C)[C@@H](NCc2ccc(C#N)s2)C1 421348103 DYFKLGOAKKQRMG-GYSYKLTISA-N 248.395 3.534 30 20 BHED C=C[C@H](CC(=O)NC[C@H](C)CC)c1ccccc1 421589591 JZBHPXYTAXLESN-ZIAGYGMSSA-N 245.366 3.509 30 20 BHED CCCCSCc1cccc(F)c1C#N 427817312 FADNNOTWXJMUBC-UHFFFAOYSA-N 223.316 3.731 30 20 BHED C=CCC[C@H](CC)N[C@@H]1COc2ccc(F)cc21 468048197 FQRRGQDFBPIXBX-GXTWGEPZSA-N 249.329 3.594 30 20 BHED CC1(CN[C@@H]2CC[C@@H](C#N)C2)CCCCCC1 472149562 CLRXDYOANUWQEE-ZIAGYGMSSA-N 234.387 3.629 30 20 BHED C=C[C@](C)(CC)c1nc(-c2cc(C)oc2C)no1 574120000 JQPJBRBBCINJOA-CQSZACIVSA-N 246.310 3.800 30 20 BHED C=CCCCCSCc1cc(C)nc(C)n1 596366872 LUBGVQLGVLNYEG-UHFFFAOYSA-N 236.384 3.683 30 20 BHED C=CCCN1CCCC[C@H]1c1ccccc1OC 606897370 DERYZMAIGKIAGJ-HNNXBMFYSA-N 245.366 3.798 30 20 BHED C=CCCN1CCc2ccccc2[C@H]1CC 606898130 OEODKDFVWCELPE-OAHLLOKOSA-N 215.340 3.572 30 20 BHED C=CCC(C)(C)CN[C@@H]1CCCc2ncccc21 631634582 KZFCIZLRPCJKBI-OAHLLOKOSA-N 244.382 3.651 30 20 BHED C=CCC1(NCc2ncc(C3CC3)o2)CCCC1 661852175 MVDYUERHFKKAHA-UHFFFAOYSA-N 246.354 3.531 30 20 BHED CCC(COC)=NNc1cccc2ccccc12 735971764 VTNKGBPOESXXKW-UHFFFAOYSA-N 242.322 3.664 30 20 BHED CC#CCCNC(=O)C[C@H](C)CCCCCC 756139937 DMNQGGJJUYBQGI-CQSZACIVSA-N 237.387 3.513 30 20 BHED C#CCCCC(=O)O[C@@H](C)c1c(C)cccc1C 758905296 PLVGDUZIXOQJOO-AWEZNQCLSA-N 244.334 3.711 30 20 BHED C=C(Cl)CN[C@@H](Cc1cccc(C)c1)C1CC1 773003236 BVYJZZIHIRFGCK-HNNXBMFYSA-N 249.785 3.658 30 20 BHED C=CCCC[C@H](C)NC(=O)CCCCCC 775923074 IDWDAPKWFAPYGO-ZDUSSCGKSA-N 225.376 3.818 30 20 BHED CC(C)(C)CCNN=Cc1ccccc1Cl 782907593 KRNRPMDGOMPGHD-UHFFFAOYSA-N 238.762 3.700 30 20 BHED CC[C@H](C)NN=C(C)c1ccc(Cl)s1 790182864 MSIGVGQWTUIKEF-ZETCQYMHSA-N 230.764 3.514 30 20 BHED C#CCCCOc1cccc2c(C)cc(C)nc12 792734445 DZTQAPZXALMEJE-UHFFFAOYSA-N 239.318 3.644 30 20 BHED CC(C)(C)CC(=NNc1cccc(F)n1)C1CC1 795008640 NHTQIQHIOGDCQG-UHFFFAOYSA-N 249.333 3.835 30 20 BHED CCCCCCCCCn1ccnc1C(C)=O 795228744 AYNNDZHPCXDQKB-UHFFFAOYSA-N 236.359 3.836 30 20 BHED C=C(Cl)CN1CC=C(c2ccc(C)cc2)CC1 795390017 BUUOKTLPSVOOPX-UHFFFAOYSA-N 247.769 3.837 30 20 BHED C=CCCCCOC(=O)CCCC(F)(F)F 811012879 BCUUDNUUTNKTOU-UHFFFAOYSA-N 238.249 3.619 30 20 BHED CCO[C@H]1CC(=NOC2CCC2)C1(CC)CC 812237070 IWVXGBDYFNBJRO-ZDUSSCGKSA-N 239.359 3.527 30 20 BHED N#CCCCC(=O)O[C@@H]1CC[C@@H]2CCCC[C@H]2C1 812824781 LJVZEDLHXNALER-MELADBBJSA-N 249.354 3.582 30 20 BHED c1ccc(C[C@@H]2CCC(=NOCC3CC3)C2)cc1 814941249 STINQRIAZIWJPM-HNNXBMFYSA-N 243.350 3.812 30 20 BHED C1CC[C@H](ON=C2CCC(=C3CCC3)CC2)OC1 853325549 MLUHWWQQOJTANF-HNNXBMFYSA-N 249.354 3.940 30 20 BHED C[C@H]1CCCCN1N=Cc1ccc(Cl)s1 853378921 AQXUDYXKINYNTN-VIFPVBQESA-N 242.775 3.610 30 20 BHED C=CCCNC(=O)[C@@H](CCCCC)C(C)C 855382581 ZVICVRPFSOHNTD-ZDUSSCGKSA-N 225.376 3.531 30 20 BHED C#CCCOC(=O)Oc1ccc(C(C)C)c(C)c1 858875810 NGKLOMZZBXVOSF-UHFFFAOYSA-N 246.306 3.657 30 20 BHED C=CC[C@H](C)N[C@@H](CC)c1cccc(C#N)c1 902867159 AHMJHVVMDDIPIR-WFASDCNBSA-N 228.339 3.564 30 20 BHED CC(=NNc1cccc(C)c1)c1cccc(C#N)c1 915935943 KLHGEEVUOGDAMO-UHFFFAOYSA-N 249.317 3.703 30 20 BHED Cc1cc(C)cc(NN=Cc2ccc(C#N)cc2)c1 916346767 TYTCXPCNGLPBRC-UHFFFAOYSA-N 249.317 3.621 30 20 BHED Cc1ccsc1C=NOCc1ccc(F)cc1 916621260 XTJQAPFZZWVVAR-UHFFFAOYSA-N 249.310 3.746 30 20 BHED CC(=NOC(C)(C)C)c1cc(Cl)ccc1O 1319577318 OONVWCFSFIYXJS-UHFFFAOYSA-N 241.718 3.585 30 20 BHED C[C@@H]1CCCC[C@@H]1CSc1cc(C#N)ccn1 1458913371 NRARURCMSNSMQK-DGCLKSJQSA-N 246.379 3.872 30 20 BHED C=C(C)CCC(C)=NNc1ccc(C(=O)O)cc1 1776013759 OGZADSGBQUUISJ-UHFFFAOYSA-N 246.310 3.529 30 20 BHED CCC[C@H](CC)Nc1nc(C)cc(C)c1C#N 50164974 JQRJNJBHZAWFDJ-LBPRGKRZSA-N 231.343 3.561 30 20 BHED Cc1ccc(C#N)cc1NC[C@H]1CC=CCC1 50429669 PPDZYGBFVKNWHY-ZDUSSCGKSA-N 226.323 3.635 30 20 BHED C=CCCC(=O)NC[C@H](c1ccccc1)C(C)C 60364982 TVEBSTJHPFDRRS-HNNXBMFYSA-N 245.366 3.509 30 20 BHED C[C@H](N(C)c1cccc(F)c1C#N)C(C)(C)C 78597896 FUBKTSDVNRTYMA-JTQLQIEISA-N 234.318 3.568 30 20 BHED CCC[C@@H](CC)Nc1ccc(F)cc1C#N 82516495 OJUFQUTZMNOXPU-GFCCVEGCSA-N 220.291 3.688 30 20 BHED CC(C)(C)CN(CCC#N)C[C@@H]1CC=CCC1 93101112 WISHGTVJMGIHQV-CQSZACIVSA-N 234.387 3.604 30 20 BHED C=CC[C@H](C)N[C@@H](CC)c1ccc(F)cc1 125235267 IPURWKLBOKPRRB-FZMZJTMJSA-N 221.319 3.831 30 20 BHED C=CCC[C@@H](C)Nc1ccc(OC)cc1C 126902809 IZURQTZRFQAVSX-GFCCVEGCSA-N 219.328 3.770 30 20 BHED CC[C@H](C#N)S[C@H](C)c1ccccc1F 127583882 UHRPSNFSPXXIAL-NXEZZACHSA-N 223.316 3.922 30 20 BHED C=CC[C@@H](C)NC1CC(c2ccccc2C)C1 167511431 KGZMKOBJGRRKBT-WLYUNCDWSA-N 229.367 3.795 30 20 BHED C=CCC(CC=C)C(=O)NC1C[C@@H](C)C[C@H](C)C1 177169603 HZDQPSKVYRSVJB-STQMWFEESA-N 249.398 3.696 30 20 BHED C=C(C)CN(C)C(=O)N[C@@H](CCC)CCCC 181355571 YBNCDWHTVKAXJK-ZDUSSCGKSA-N 240.391 3.563 30 20 BHED N#C[C@H]1CCC[C@H](Nc2ccccc2Cl)C1 185734987 LPURGCUOVGDLDX-QWRGUYRKSA-N 234.730 3.834 30 20 BHED C[C@H](N[C@H]1CCC[C@H](C#N)C1)C1CCCCC1 185841366 PWYOCNNMPFSNNQ-YDHLFZDLSA-N 234.387 3.627 30 20 BHED C[C@H]1CCCC[C@@H]1NCCCCC(C)(C)C#N 235576559 ORRICSDPUKSMHD-KBPBESRZSA-N 236.403 3.875 30 20 BHED CC(C)Sc1ccc(CN(C)CCC#N)cc1 258883593 ILCGLMYHCHPAAQ-UHFFFAOYSA-N 248.395 3.533 30 20 BHED Cc1ccccc1CN1CCC(CCC#N)CC1 260277291 YEQOIUBDLMVUPN-UHFFFAOYSA-N 242.366 3.511 30 20 BHED Cc1cc(C)cc([C@H](C)N[C@H]2CC[C@H](C#N)C2)c1 274613501 KSNUMAYDEFRHEJ-DZKIICNBSA-N 242.366 3.646 30 20 BHED C=C(C)CCN[C@@](C)(CC)c1nc(C)cs1 274820564 YAEFWEPKMLWZEH-ZDUSSCGKSA-N 238.400 3.633 30 20 BHED CC[C@H](CC#N)N[C@@H](C)C[C@H](C)CC(C)C 310039552 XBSUPZFDSSLDIO-HZSPNIEDSA-N 224.392 3.729 30 20 BHED CC(C)(C#N)CCCN1CCCCCCCC1 321974903 SJUCPZFDUOHVMY-UHFFFAOYSA-N 236.403 3.973 30 20 BHED CC(C)(CCC#N)CN1CCC[C@@H]2CCCC[C@H]21 353839747 BDERLCXZLZQNJH-LSDHHAIUSA-N 248.414 3.971 30 20 BHED CC(C)(C#N)CCCN1CC=C(C(C)(C)C)CC1 409445412 YCZJWNSMKXRHSC-UHFFFAOYSA-N 248.414 3.995 30 20 BHED N#CCCCSCC1CCC(F)(F)CC1 419606788 SNUMJFZGUCNSDZ-UHFFFAOYSA-N 233.327 3.849 30 20 BHED C=CCCCC[C@@H](C)NCc1cc(C)cc(N)c1 423487853 XWFAZDVECNDKRR-CQSZACIVSA-N 246.398 3.802 30 20 BHED C=C(C)C(C)(C)C(=O)NCCC1=CCCCC1 424550445 ZPQJALDYWREYFZ-UHFFFAOYSA-N 235.371 3.595 30 20 BHED CC[C@@H](NCc1cccc(F)c1C#N)C(C)(C)C 428352392 LBJZFFNZEXLAGX-CQSZACIVSA-N 248.345 3.612 30 20 BHED CC1=CCC[C@@H](C)[C@@H]1CN(CC#N)C1CCCC1 443662747 VTEPVOWBTHJRSK-GDBMZVCRSA-N 246.398 3.747 30 20 BHED C=CC(C)(C)C(=O)NCc1ccc(C(C)C)cc1 448666118 SQIFJBUBLMQYIR-UHFFFAOYSA-N 245.366 3.638 30 20 BHED C=C[C@@](C)(CC)C(=O)N(CC)CC(CC)CC 468107209 YGOMLCOBANBQRI-HNNXBMFYSA-N 239.403 3.873 30 20 BHED C=CCCCCNC(=O)c1c(C)cc(C)cc1C 471679717 PQCKSZGVSNOYAS-UHFFFAOYSA-N 245.366 3.698 30 20 BHED C=CCC(C)(C)CNC(=O)c1ccc(CC)cc1 489862617 VUQRRWJQIZFWLV-UHFFFAOYSA-N 245.366 3.581 30 20 BHED C=CCC(C)(C)CNC(=O)C[C@H](C)C(C)(C)C 489940425 HLSBXWSHAYTZTR-LBPRGKRZSA-N 239.403 3.777 30 20 BHED C=C(C)CCc1noc([C@H]2CCC[C@H](C)C2)n1 508688372 WFSPSNUUZFPJBL-RYUDHWBXSA-N 234.343 3.872 30 20 BHED C=CCCSCc1ccc(F)cc1F 531009160 FCTTZBKZHNZFTO-UHFFFAOYSA-N 214.280 3.774 30 20 BHED C=C(C)COCCN[C@@H]1CCC[C@H]1CCCC 539064912 NSJKTLCLFUPQEG-HUUCEWRRSA-N 239.403 3.528 30 20 BHED C=CCCCN[C@@H](C)C(C)(C)c1ccccc1 540354924 UJBQXWDMFQDUGL-AWEZNQCLSA-N 231.383 3.909 30 20 BHED C=CCC(C)(C)c1noc(CCC(C)C)n1 551142224 DAMJJIVEGOOEHY-UHFFFAOYSA-N 222.332 3.512 30 20 BHED CC[C@H](CC#N)N[C@H]1CCc2ccc(Cl)cc21 574581586 OXFZLGCJVYFEQF-OCCSQVGLSA-N 248.757 3.609 30 20 BHED C=C(CC)CN[C@@H](CC(C)C)c1ccccn1 582807230 ZFAKNJBGVDLPHG-HNNXBMFYSA-N 232.371 3.725 30 20 BHED N#Cc1ccc(-c2ccnc3ccccc23)s1 589962968 MDCSGXUURIPFEC-UHFFFAOYSA-N 236.299 3.835 30 20 BHED C=CCCCCSCc1noc(C2CC2)n1 591385775 UZQSLALPEHDESJ-UHFFFAOYSA-N 238.356 3.537 30 20 BHED C=CCCN1C[C@@H](c2ccccc2C)C[C@H]1C 606898125 NUGUFQAYAGASIN-CABCVRRESA-N 229.367 3.749 30 20 BHED CCCC[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 618804693 LQPXMNULYPZNBV-BLLLJJGKSA-N 242.366 3.714 30 20 BHED C=CCN(C(=O)c1cc(C)ccc1C)C(C)(C)C 622942639 VJMUUIWTFYXVPV-UHFFFAOYSA-N 245.366 3.730 30 20 BHED C=C[C@@H](C)NC(=O)c1cc2cc(C)ccc2s1 685782850 ZWONYCZJYCSRBA-SNVBAGLBSA-N 245.347 3.514 30 20 BHED C=CCON=Cc1ccc(Cl)c(Cl)c1 754778130 DLEHQCAJGDSUPA-UHFFFAOYSA-N 230.094 3.530 30 20 BHED C[C@@H]1C[C@@H]1C=NNc1ccccc1C(F)(F)F 758359235 PCTOEKOQKNJISM-RKDXNWHRSA-N 242.244 3.759 30 20 BHED C[C@H](C=NOCC(F)F)c1cccc(Cl)c1 758906373 GFLDHJITIHEUAM-MRVPVSSYSA-N 247.672 3.711 30 20 BHED CCC[C@H](C)c1noc(-c2ccc(C#N)s2)n1 761849831 ZRSUOWPDGRITKV-QMMMGPOBSA-N 247.323 3.573 30 20 BHED Cc1ccccc1C=NOC/C(Cl)=C/Cl 763172643 SSWMQHDAOSGSCQ-CGPGJJRRSA-N 244.121 3.665 30 20 BHED C#CCOc1ccc([C@@H](C)N[C@@H](C)CCC)cc1 764435437 NDYMATOMAGXMRM-UONOGXRCSA-N 245.366 3.538 30 20 BHED C#C[C@H](C)N(C)C[C@H](CCC)c1ccccc1 775180528 ZCSYDSVDNLNKDF-HOCLYGCPSA-N 229.367 3.524 30 20 BHED C[C@@H]1CCCC[C@H]1C=NNc1ccccc1 783771587 FNKWVOWYOSRXTF-OLZOCXBDSA-N 216.328 3.911 30 20 BHED CCCCCCCC(=O)NCCC=C(C)C 791003892 NVXCIOQODDTNNV-UHFFFAOYSA-N 225.376 3.819 30 20 BHED CSCCON=C1CC[C@@H]2CCCC[C@@H]2C1 794577229 PPVLHZCXTPNXSB-NWDGAFQWSA-N 241.400 3.712 30 20 BHED C=CCCCCCCNC(=O)C1(CC)CCC1 805218357 XHPDTNKNGXJACG-UHFFFAOYSA-N 237.387 3.819 30 20 BHED C[C@H]1CCCC(=NNCC2CCCC2)[C@@H]1C 808006083 OMEAJMVAFDFDNH-NWDGAFQWSA-N 222.376 3.578 30 20 BHED CON=Cc1ccc(-c2ccc(F)cc2)s1 839411327 HFTBJZJWGXAHGF-UHFFFAOYSA-N 235.283 3.535 30 20 BHED CCC(C[C@H](C)CC)=NNc1ccccn1 915945145 YIPIJBOPMTWKMM-LLVKDONJSA-N 219.332 3.696 30 20 BHED CCC(=NOC(C)(C)C)c1ccccc1 1323132274 NZBXFVNCPUGOPS-UHFFFAOYSA-N 205.301 3.616 30 20 BHED CCCCCCCCC(=O)N(C)CC1CCC1 1336569742 RYFYTUHKJWIAKB-UHFFFAOYSA-N 239.403 3.996 30 20 BHED C=C(C)CCC(=O)N([C@@H](C)CC)[C@H](C)CC 1337474837 IUWGGUWHLLYMMB-BETUJISGSA-N 225.376 3.768 30 20 BHED C=C(CC)C(=O)N1CCC[C@H]1c1ccccc1C 1527475214 SBZQMLAIHTZTJP-HNNXBMFYSA-N 243.350 3.625 30 20 BHED CC(C)CC[C@@H]1CC[C@H](NCC2(CC#N)CC2)C1 1656175090 ZXSVTYCODADUMH-CABCVRRESA-N 248.414 3.875 30 20 BHED C#Cc1cccc(N[C@H]2CCC[C@@H](C)C2)c1 19876831 ZEHKQEHUUCYVSR-OCCSQVGLSA-N 213.324 3.659 30 20 BHED C[C@H]1CCC[C@@H](Nc2cccc(C#N)c2)C1 19921980 MUNQSDZIRZNMJU-WCQYABFASA-N 214.312 3.549 30 20 BHED CC[C@H](C)Sc1nc2c(cc1C#N)CCCC2 49957004 RCCZCUUYIXLZRT-JTQLQIEISA-N 246.379 3.723 30 20 BHED CC#CCN[C@H](C)c1ccc(Cl)cc1Cl 51662953 KUWQEOMMJCZSBN-SECBINFHSA-N 242.149 3.667 30 20 BHED Cc1cccc(CCNc2ccc(C#N)cc2)c1 51670621 QDMDJLQJTDBMNJ-UHFFFAOYSA-N 236.318 3.521 30 20 BHED CC(C)[C@H](C)Sc1ncc(C#N)cc1Cl 78588792 IJZGSKMEYUYPKO-QMMMGPOBSA-N 240.759 3.743 30 20 BHED CCCCCCCC(=O)Nc1ccc(C)cn1 104983550 YUBYYGKSTZEZGT-UHFFFAOYSA-N 234.343 3.689 30 20 BHED C=CC[C@@H](C)NC(=O)C[C@H](C)c1ccccc1C 116851555 SDZLGOFGDXARRT-UONOGXRCSA-N 245.366 3.569 30 20 BHED CC1(C)CCC/C(=C/c2ccc(C#N)cc2)C1=O 158995635 ROZSSUFXOXSMML-UVTDQMKNSA-N 239.318 3.721 30 20 BHED C=CCOc1cc(Cl)c(Cl)cc1C(C)=O 193101096 SNCVNFMBXFUPCQ-UHFFFAOYSA-N 245.105 3.761 30 20 BHED C[C@H](B1OC(C)(C)C(C)(C)O1)C(C)(C)C 196715269 DAUZUYZUKDTCGK-VIFPVBQESA-N 212.142 3.515 30 20 BHED CC(C)(C)c1cccc(OC(=O)CCCC#N)c1 291107369 KAKWGITXABYZPP-UHFFFAOYSA-N 245.322 3.583 30 20 BHED C/C(=C\Cl)C[C@@]1(C=O)CC[C@@H](C)C1 307034506 SVOBAWHVJMMCOB-DHJNVWGISA-N 200.709 3.524 30 20 BHED C=CCCCCN[C@H](C)c1cc(C)oc1C 309229202 SPELQJPQDROAOK-GFCCVEGCSA-N 221.344 3.903 30 20 BHED C=CCCC1(c2nc([C@H](C)CC)no2)CC1 345878239 CCUFPVJIIHGXQV-SNVBAGLBSA-N 220.316 3.581 30 20 BHED C=C(C)CCN[C@H]1C[C@H](C)c2c(C)ccc(O)c21 386787775 NSMJLDPWUMPTDZ-STQMWFEESA-N 245.366 3.805 30 20 BHED C=CCC(C)(C)c1nc(-c2cccc(C)c2)no1 426393127 ZASBXBPHUOTABM-UHFFFAOYSA-N 242.322 3.899 30 20 BHED C=CCC[C@@H](C)Nc1cnn(CCC)c1C1CC1 449414193 KBQLXMGOHRLDNK-GFCCVEGCSA-N 247.386 3.937 30 20 BHED C=C(C)CCN[C@@H](c1ccc(C)o1)C1CCC1 453328127 WNYBDHUPHFEUGG-OAHLLOKOSA-N 233.355 3.985 30 20 BHED CC(C)(C)C1CC(Nc2cccc(CC#N)c2)C1 459569933 LLZQOQHRPPFTMP-UHFFFAOYSA-N 242.366 3.989 30 20 BHED C=CCCC1(C(=O)Nc2ccc(F)cc2C)CC1 474213370 PFXHKLQQKDFFDU-UHFFFAOYSA-N 247.313 3.819 30 20 BHED C=C(C)CS[C@@H](C)c1ccccc1[N+](=O)[O-] 477012164 QWHMJFCKENRXML-JTQLQIEISA-N 237.324 3.965 30 20 BHED C=CCN(C)C(=O)C1CCC(CCCC)CC1 490943224 NLCSCKWISKNKEU-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=C(C)CCN[C@H](c1ccc(OC)cc1)C(C)C 508993627 XRQJDRAHADGDEY-INIZCTEOSA-N 247.382 3.948 30 20 BHED C=C1CCN(Cc2ccc3ccccc3c2)CC1 513455904 OAYAVDPGAORBJM-UHFFFAOYSA-N 237.346 3.992 30 20 BHED C[C@@H](C#N)CNC1CCC2(CCCCC2)CC1 525973576 FZTYMPAJDWJNEO-ZDUSSCGKSA-N 234.387 3.629 30 20 BHED C=C1CCN([C@H](C)CCc2cccc(F)c2)CC1 543088610 NFMSMESSMNNKEV-CQSZACIVSA-N 247.357 3.799 30 20 BHED Cc1cccc(C)c1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 578048910 XVDQKWIVKVBRAV-SOUVJXGZSA-N 242.366 3.646 30 20 BHED C=CCCCCCN1CCCC(F)(F)CC1 625770527 LYWRBXDIEPLFPW-UHFFFAOYSA-N 231.330 3.854 30 20 BHED COc1cccc(NN=CC2CCCCC2)c1 725853898 WMKAOKCCZMHECY-UHFFFAOYSA-N 232.327 3.673 30 20 BHED C=C(C)CN(C)c1ccc2ccccc2c1 727238530 BSIMDYPACXGDRL-UHFFFAOYSA-N 211.308 3.852 30 20 BHED C=CCOC(=O)C[C@H](c1ccccc1)C(C)C 728638925 OHUKLAHIYDVSLH-AWEZNQCLSA-N 232.323 3.546 30 20 BHED C=CCNC(=O)[C@](C)(CC)CCCCCC 742465385 LRULOPRCSGZYEK-CQSZACIVSA-N 225.376 3.675 30 20 BHED C=CCCCC(=O)OCc1ccc(Cl)s1 748233939 MIXPWKMSJLQEQZ-UHFFFAOYSA-N 244.743 3.801 30 20 BHED C[C@@H](Sc1cccc(C#N)n1)c1cccs1 755907471 DOEVXUOPWGKKDD-SECBINFHSA-N 246.360 3.868 30 20 BHED CC(CC1CC1)=NNCc1ccccc1Cl 756833278 DYFJHHKOEZABCP-UHFFFAOYSA-N 236.746 3.606 30 20 BHED C=CCC(CC=C)C(=O)O[C@@H](C)CC(C)C 758517973 LYDOWBQBHBGTAU-LBPRGKRZSA-N 224.344 3.733 30 20 BHED CCC(C=NNc1cc(C)ccc1F)CC 759653646 UHUOUVUGBADWOT-UHFFFAOYSA-N 222.307 3.968 30 20 BHED C#CCCCCCC(=O)N[C@H]1CCCC[C@H]1CC 779838801 ICVFUHFZAHEKQF-CABCVRRESA-N 249.398 3.655 30 20 BHED CCC(CC)CC(=O)OCCCC(C)(C)C#N 784119164 ZHFXLLLYKDZZEE-UHFFFAOYSA-N 239.359 3.686 30 20 BHED C=CCCC(CC)=NNc1ncccc1C 790191148 SFLVGAWWRXTGMH-UHFFFAOYSA-N 217.316 3.534 30 20 BHED COc1cccc(NN=Cc2ccsc2C)c1 814776701 ANDRWUPFEULMQE-UHFFFAOYSA-N 246.335 3.511 30 20 BHED CCCC(=NOC[C@H](C)CC)c1ccccn1 814939338 NLTKKROULYHESX-GFCCVEGCSA-N 234.343 3.649 30 20 BHED C=CCC(F)(F)C(=O)O[C@@H](C)c1ccccc1 815312045 JHAGYTUOROOXLC-JTQLQIEISA-N 240.249 3.502 30 20 BHED C=C(C)C(C)(C)C(=O)Oc1ccc(OCC)cc1 819033772 JTAZFZMRVXVLNI-UHFFFAOYSA-N 248.322 3.593 30 20 BHED C=C[C@@H](CC)CC(=O)N(CC)Cc1occc1C 822748474 AMTJKAVSJVBTBE-ZDUSSCGKSA-N 249.354 3.539 30 20 BHED CCCCCCC[C@H](C)CNC(=N)NCCC 849065775 YHWAMRHOEOGEBA-ZDUSSCGKSA-N 241.423 3.507 30 20 BHED C=CC(C)(C)COC(=O)C[C@@H](C)c1ccco1 860806598 FTWLJWIQRDIJAR-LLVKDONJSA-N 236.311 3.529 30 20 BHED C#CCCCCCC(=O)Nc1csc(C)c1 871117611 TZUJEBIJNRBUCP-UHFFFAOYSA-N 235.352 3.579 30 20 BHED C=C(C)CNc1cnn([C@@H](C)CC)c1C1CC1 902190620 NUZDMVIMKNXIPQ-NSHDSACASA-N 233.359 3.720 30 20 BHED CCCCCCCC(=O)N(CC)CC(C)C 914505062 LMIRBUIMECBTSL-UHFFFAOYSA-N 227.392 3.851 30 20 BHED C=C(CC)C(=O)N(C)[C@H](C)c1cc(C)ccc1C 1548623734 QNBRSOLFSAYJMQ-CQSZACIVSA-N 245.366 3.789 30 20 BHED CC[C@H](C)[C@@H]1CCCCN1C[C@H](C)CCC#N 1651903425 WFENSHIOOHIYCC-ILXRZTDVSA-N 236.403 3.827 30 20 BHED C[C@H]1CCC[C@@H](CNC[C@H](C)CCC#N)[C@@H]1C 1659009246 JFYOTVOJDYQKLR-BARDWOONSA-N 236.403 3.588 30 20 BHED C=CCN[C@@H](CC(C)(C)C)c1ccccc1 37185077 BSZKEHNPOHMRDH-AWEZNQCLSA-N 217.356 3.940 30 20 BHED CC[C@@H](CC#N)N[C@H](C)c1c(C)cc(C)cc1C 54182998 URSFVERZCRJBGU-CABCVRRESA-N 244.382 3.955 30 20 BHED Cc1ccc(F)cc1NCCCC(C)(C)C#N 87597166 PCWVEHMCSPJHJD-UHFFFAOYSA-N 234.318 3.876 30 20 BHED Cc1ccoc1C(=O)/C=C/c1cccs1 119030594 PGKDKYBNOUNMRX-SNAWJCMRSA-N 218.277 3.546 30 20 BHED C#CCCCCN[C@H]1CCCC[C@H]1C(C)C 130735522 VUPMQSLFTONLLP-GJZGRUSLSA-N 221.388 3.594 30 20 BHED CC[C@@](C)(C#N)C(=O)Nc1cccc(C(C)C)c1 136184178 LAFLZGNVECHQML-HNNXBMFYSA-N 244.338 3.688 30 20 BHED Cc1ccc(CN(C)CC(C)(C)CCC#N)cc1 179602625 ZJVOPUYETBDHEX-UHFFFAOYSA-N 244.382 3.757 30 20 BHED CC(C)N(CCSCCCCC#N)C(C)C 182905480 SQZOGFWNZOBNRX-UHFFFAOYSA-N 242.432 3.532 30 20 BHED C=CCCCCCN[C@@H](C)c1nc(C)cs1 194359068 JFNKFKOUMAOSAP-LBPRGKRZSA-N 238.400 3.849 30 20 BHED CC(C)C(C)(C)CN[C@@H](C)c1cccc(C#N)c1 219274349 DXHMXQLSHCRCSJ-ZDUSSCGKSA-N 244.382 3.891 30 20 BHED CCC1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CC1 271982211 XGNRKCXNBHXPEJ-NSHDSACASA-N 246.329 3.538 30 20 BHED C=CCCCCN[C@@H](C)c1ccsc1 379593166 BDPJUFVNIKHRHL-NSHDSACASA-N 209.358 3.755 30 20 BHED CCCC[C@H](C)N(C)Cc1ccc(C#N)cc1 379918937 PQOQQENOLHSZLF-ZDUSSCGKSA-N 230.355 3.569 30 20 BHED C=CC[C@H](CC)NC[C@@H](C)c1ccccc1 381311404 LPQGGNNOWWUOEZ-HIFRSBDPSA-N 217.356 3.734 30 20 BHED C=C(C)C(C)(C)C(=O)NCC1(C)CCCCC1 424712768 BGFJDHZZDWMQBJ-UHFFFAOYSA-N 237.387 3.675 30 20 BHED N#Cc1cccc(SC2CCCC2)c1[N+](=O)[O-] 450214811 ZPNRTBXKXKIBOY-UHFFFAOYSA-N 248.307 3.501 30 20 BHED CCC[C@@]1(C)CCCN(c2ccc(C#N)cc2)C1 463068354 RLYCOXKARJEAPV-INIZCTEOSA-N 242.366 3.965 30 20 BHED N#C[C@@H]1CCC[C@@H](NCCC2CCCCC2)C1 463291120 YQJDECXWVOUWKM-HUUCEWRRSA-N 234.387 3.629 30 20 BHED C=CCCCCCN1CC=C(C(F)(F)F)CC1 488149460 YNPSRQQTQKVYTM-UHFFFAOYSA-N 247.304 3.927 30 20 BHED Cc1cc(C)cc([C@H](C)NCCC(C)(C)C#N)c1 540715713 ZRNQEMVRIQQHKH-AWEZNQCLSA-N 244.382 3.894 30 20 BHED CCC[C@H](CC)N[C@H]1CCc2ccc(C#N)cc21 578472621 HRRVMWLGINJRSA-HOCLYGCPSA-N 242.366 3.714 30 20 BHED Cc1cccc(/C=C\C(=O)c2cncc(C)c2)c1 588476172 DEGCUHVUPVFPAF-SREVYHEPSA-N 237.302 3.595 30 20 BHED CC[C@H](C#N)c1ccc(-c2cnoc2C)cc1 592989415 WBIIDGLUZLMXIF-LLVKDONJSA-N 226.279 3.667 30 20 BHED C=CCSCCOc1cc(C)cc(C)c1 609633999 SSAAPIMRFMSPRJ-UHFFFAOYSA-N 222.353 3.601 30 20 BHED CC(C)CC[C@H]1CCC[C@@H]1NCC(C)(C)C#N 613540302 JROVHWLYTNOQTH-KGLIPLIRSA-N 236.403 3.731 30 20 BHED C=C(CC)CNC(=O)c1cccc(C(C)C)c1 616115001 GGCMIZPPTPOZLI-UHFFFAOYSA-N 231.339 3.506 30 20 BHED C=CCN(C[C@@H](C)CCC#N)c1ccccc1 618887629 HJKWLZCCSUBEPO-AWEZNQCLSA-N 228.339 3.619 30 20 BHED C=CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1CC(C)C 620856306 SOACOXZIJBVBDY-CHWSQXEVSA-N 237.387 3.530 30 20 BHED C=CCCOC(=O)c1cc(Cl)ccc1Cl 729073359 TVHRCSOZALPVIB-UHFFFAOYSA-N 245.105 3.726 30 20 BHED CC(C)C(=NNCCCc1ccccc1)C1CC1 729145913 GZIDVRFOGAKUKS-UHFFFAOYSA-N 244.382 3.631 30 20 BHED CCON=C1CCC[C@H]1c1ccc(C)cc1 741846390 AEIVUNZDEQJIKG-ZDUSSCGKSA-N 217.312 3.655 30 20 BHED C#CC[C@@H](/N=C/c1ccccc1O)c1ccccc1 756845075 BGKBRLJCJHGRBQ-APVMCDBPSA-N 249.313 3.576 30 20 BHED CC1=CCC[C@@H](C)[C@@H]1C=NOCCC(F)(F)F 777462773 LTSQFLMCNLTKQM-GHMZBOCLSA-N 249.276 3.934 30 20 BHED C=CCC[C@@H](C(=O)OCCC)c1ccccc1 778552569 OHKMLAGHVIGFFJ-CQSZACIVSA-N 232.323 3.690 30 20 BHED C[C@]1(C=NOC2CCCCC2)CCCS1 793040211 DRJXQQMCEMWHCC-GFCCVEGCSA-N 227.373 3.607 30 20 BHED CC[C@H]1CCCC1=NN[C@H](C)C(C)(C)C 793112054 ODCGUMOTOKHIHE-MNOVXSKESA-N 210.365 3.577 30 20 BHED CC(C)[C@H]1CCCC(=NNC2CCCC2)C1 794505589 DFZQDZNPXBKUHX-LBPRGKRZSA-N 222.376 3.721 30 20 BHED CON(CC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 796472401 YDYJXIDDORAVFJ-LBPRGKRZSA-N 246.354 3.529 30 20 BHED Cc1ccc(F)c(NN=C[C@H]2CC[C@H](C)C2)c1 800814347 TYDDZYNZYJBTEF-JQWIXIFHSA-N 234.318 3.968 30 20 BHED CC[C@H]1CCC1=NNc1nccc2sccc12 807964268 BXVPBOFYWKYLFY-VIFPVBQESA-N 245.351 3.884 30 20 BHED CC(C)CCC(=NOC1CCC1)C1CC1 812235535 JWELVYGLQAEDFK-UHFFFAOYSA-N 209.333 3.758 30 20 BHED c1ccc2c(c1)SCCC2=NOCCC1CC1 814246883 HAMIIQRAKJSHRU-UHFFFAOYSA-N 247.363 3.703 30 20 BHED CCC(=NN[C@@H](C)c1ccncc1)[C@@H]1CC1(C)C 819817575 BGHRMPBLCXXCJK-AAEUAGOBSA-N 245.370 3.544 30 20 BHED C=CCN(Cc1ccc(F)c(F)c1F)C(C)C 824580531 HCLUFQBLULIOAR-UHFFFAOYSA-N 243.272 3.500 30 20 BHED C=CCCCCC(C)=NOC/C=C\Cl 834979518 OAXWTIFEVPXNKS-RRDRFLTCSA-N 215.724 3.878 30 20 BHED C#CCCCCCC(=O)N[C@H](C)CC(C)(C)C 837229425 ZOPWYISVMWQQTN-CYBMUJFWSA-N 237.387 3.511 30 20 BHED C=CCCCCNC(=N)Nc1cccc(CC)c1 849019779 NXGSSKSHDZQCDA-UHFFFAOYSA-N 245.370 3.542 30 20 BHED C=CC(C)(C)CC(=O)N1CCC[C@@H]1CC(C)C 878566198 UZKGXONCJORVEK-CYBMUJFWSA-N 237.387 3.626 30 20 BHED C=C(Cl)CN1C[C@H](C(C)C)c2ccccc21 1642944650 DHMGBBAUIMJCTD-CYBMUJFWSA-N 235.758 3.999 30 20 BHED C[C@H]1CCC[C@H](Nc2ccc(CC#N)cc2)C1 37071287 BMONKAXVBXOGAL-WFASDCNBSA-N 228.339 3.743 30 20 BHED C[C@H](Nc1ccc(C#N)cc1F)c1ccccc1 37507373 QKAGEGIFYRSMNA-NSHDSACASA-N 240.281 3.870 30 20 BHED Cc1ccccc1CSCCCC#N 47915233 WFJOBDXDJOQDPX-UHFFFAOYSA-N 205.326 3.532 30 20 BHED C=C(C)CN(CC)Cc1ccccc1Cl 61758532 FQTIOCRIRSGGCQ-UHFFFAOYSA-N 223.747 3.738 30 20 BHED N#Cc1cnc2ccccc2c1N[C@@H]1CC=CCC1 88748727 MFKMATOIXUPNDQ-CYBMUJFWSA-N 249.317 3.627 30 20 BHED C=CCC[C@H](C)Nc1cc(F)ccc1F 96034350 NTQUNGFUOZBPFD-VIFPVBQESA-N 211.255 3.731 30 20 BHED C=CCSCc1ccc(SC)c(OC)c1 114756773 DKZIFPXHFNBBHA-UHFFFAOYSA-N 240.393 3.836 30 20 BHED CCCS[C@@H](C)c1ccc(C#N)cc1 118444032 HWGKJXDMPRXDAX-JTQLQIEISA-N 205.326 3.762 30 20 BHED C#Cc1cccc(NCc2cccc3cc[nH]c23)c1 130525304 HNWGTDRGYBQAPN-UHFFFAOYSA-N 246.313 3.761 30 20 BHED C=CC[C@@H](C)N[C@H]1CCc2c(F)cc(F)cc21 154703113 YLGJJRRPQZOYIA-OTYXRUKQSA-N 237.293 3.506 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(C)cc1 168052652 JJFVKZAMXHUFJT-CYBMUJFWSA-N 203.329 3.612 30 20 BHED C=CCC[C@H](CC)NCC1(SC)CCC1 193807280 SNFJLGXEDQHLBW-LBPRGKRZSA-N 227.417 3.607 30 20 BHED C[C@H]1CC[C@H](Nc2ccc(C#N)cc2)CC1 252954294 HLZQUKJUUVELOU-AULYBMBSSA-N 214.312 3.549 30 20 BHED CC[C@@H](Nc1cccc(C#N)c1)C1CCC1 322361584 HEVNBYJALSXQNL-CQSZACIVSA-N 214.312 3.549 30 20 BHED C=C(C)CCN[C@H](C)[C@H]1CC2CCC1CC2 381925964 OWIFAVDOYTVXTI-XSCHDIRWSA-N 221.388 3.757 30 20 BHED C=CC[C@@H](CC)NC(=O)CC1(C)CCCCC1 410134094 GJCJNSGGAWTNNI-CYBMUJFWSA-N 237.387 3.818 30 20 BHED C=C(C)CNC(=O)[C@H](CC(C)C)c1ccccc1 427940405 BSGQBNLBQGLRPR-OAHLLOKOSA-N 245.366 3.509 30 20 BHED C=CCCN(C)[C@@H](CC)Cc1ccc(C)cc1 441355975 PBQKTKVOAJUCAX-INIZCTEOSA-N 231.383 3.824 30 20 BHED C[C@H]1C[C@H](NC2CCC(C)(C#N)CC2)CC[C@H]1C 449240383 YRTPHQWCUIPTCC-WJTFHPDPSA-N 248.414 3.873 30 20 BHED C[C@@H](SC1CCC1)c1cccc(C#N)c1 450986916 SQVZIENJZMSUJP-SNVBAGLBSA-N 217.337 3.905 30 20 BHED C=CCC[C@@H](CC)NCCC1CC(F)(F)C1 453426748 OSBMXFAOZGUJMR-GFCCVEGCSA-N 231.330 3.756 30 20 BHED C=CCC1(NC(=O)CC2(C)CC2)CCCCC1 456360679 DUXONWQDBDURQC-UHFFFAOYSA-N 235.371 3.572 30 20 BHED C=C(C)CN(CC)C(=O)CCCCC(C)C 457445981 XMUFKECFSXXGGG-UHFFFAOYSA-N 225.376 3.627 30 20 BHED C=CCC[C@H](CCC)N[C@@H](C)[C@@H]1CCCOC1 507478647 NEEZDBZVZWIGCJ-ZNMIVQPWSA-N 239.403 3.526 30 20 BHED CCc1ccc(/C=C\c2ccc(C#N)cn2)s1 517476275 NYJPGZPOBMRTKP-WAYWQWQTSA-N 240.331 3.748 30 20 BHED C=CCC[C@@H](C)NC1(c2cccc(OC)c2)CC1 552086130 YPXSMWYNCPABNI-CYBMUJFWSA-N 245.366 3.629 30 20 BHED CCCC[C@H](N[C@H]1CC[C@@H](C#N)C1)C1CCC1 559150366 UKZGKRSTCZFGFF-SNPRPXQTSA-N 234.387 3.627 30 20 BHED CC(C)c1cnn(CCC2(C#N)CCCCC2)c1 566619275 FCPODRVQBIXTOT-UHFFFAOYSA-N 245.370 3.871 30 20 BHED N#C[C@H](SCc1ccccc1Cl)C1CC1 601081465 ODJQXKQSMLJPIO-LBPRGKRZSA-N 237.755 3.875 30 20 BHED CCCC[C@H](NC[C@H](C)CCC#N)C1CCC1 602668887 VGRFLYNRLQUGPE-HIFRSBDPSA-N 236.403 3.875 30 20 BHED CC(=NOCc1ccccc1)C1CCCC1 733076216 GUXAMMSJXHJZCW-UHFFFAOYSA-N 217.312 3.769 30 20 BHED C=CC[C@H](C)NC(=S)Nc1ccc(CC)cc1 734985502 FWWJZBVXDCCDOY-NSHDSACASA-N 248.395 3.500 30 20 BHED CCCCNN=C(C)c1coc2ccccc12 747752709 BIWDLZWYZAAGNK-UHFFFAOYSA-N 230.311 3.547 30 20 BHED CCON=C1CCSc2cc(C)c(C)cc21 777432304 NOBFLHDMZHTIIM-UHFFFAOYSA-N 235.352 3.540 30 20 BHED Cc1cc(C)c(C=NN[C@H](C)C(C)(C)C)c(C)c1 793116518 YRNZBDQKQJXUAW-CQSZACIVSA-N 246.398 3.970 30 20 BHED Fc1cccc(NN=C2CCC[C@H](C3CC3)C2)n1 795006606 DJMCMQSKBFUQAY-NSHDSACASA-N 247.317 3.589 30 20 BHED CC(CC1CCCC1)=NNc1cccc(F)n1 795009567 FDDUSAWQCCPVTM-UHFFFAOYSA-N 235.306 3.589 30 20 BHED C[C@@H]1CCC(=NNc2ccccc2Cl)C1 814690926 FNHSCJVLNIPBFZ-SECBINFHSA-N 222.719 3.928 30 20 BHED CCC(=NNc1ccc(F)cc1)c1ccco1 814693240 DAXOTQRJAPEZRL-UHFFFAOYSA-N 232.258 3.645 30 20 BHED C[C@@H]1CCC(=NNc2ccc3ccccc3n2)C1 814697666 XFFPHIVVYHSZQS-LLVKDONJSA-N 239.322 3.823 30 20 BHED C=C(CC)CNC(=S)Nc1ccccc1CC 840825890 DBCYFSPXCSFOBC-UHFFFAOYSA-N 248.395 3.502 30 20 BHED C[C@H]1CCCC(=NNc2ccnc(Cl)c2)C1 853394805 ZRDMGJGWSHAUAM-VIFPVBQESA-N 237.734 3.713 30 20 BHED C=CC(C)(C)CNC(=O)c1ccccc1C(C)C 854817751 VMTYFRPASZVIMV-UHFFFAOYSA-N 245.366 3.752 30 20 BHED C=CCN(C(=O)CCC(=C)C)c1ccccc1 1262625961 ZZQBFWSJJYEPMQ-UHFFFAOYSA-N 229.323 3.562 30 20 BHED C=C[C@@](C)(CC)c1nnc(-c2ccccc2)o1 1330063393 URGFHZZYWQXBMS-AWEZNQCLSA-N 228.295 3.590 30 20 BHED CCC(=CC(=O)O[C@@H](CC#N)c1ccco1)CC 1526992913 OVZAXISNRKWOLG-ZDUSSCGKSA-N 247.294 3.524 30 20 BHED N#C[C@@H]1CCCN(CCC2CCCCCC2)C1 1660079256 OYTDGIKHEZFHHD-HNNXBMFYSA-N 234.387 3.582 30 20 BHED N#CC[C@H](N)c1ccc2cc3ccccc3cc2c1 1690152843 AVBSLTXBDISTAH-KRWDZBQOSA-N 246.313 3.906 30 20 BHED CC[C@H](C)CNc1ccc(Cl)c(C#N)c1 36972806 WJIAXCWFXZSIER-VIFPVBQESA-N 222.719 3.670 30 20 BHED N#CCOc1cccc(NCC2CCCCC2)c1 37069540 ZHQLEVIRZDAFLS-UHFFFAOYSA-N 244.338 3.581 30 20 BHED C=CCCN[C@H](C)c1ccccc1Cl 70591992 YHKXVZKSFVFCDO-SNVBAGLBSA-N 209.720 3.567 30 20 BHED C[C@H](N[C@@H](C)c1ccoc1)c1ccc(C#N)cc1 94868164 RIFUFALGCHKJJB-RYUDHWBXSA-N 240.306 3.563 30 20 BHED Cc1ccc(F)cc1COc1cccc(C#N)c1 97849374 QEMQAEDADLFLLD-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C[C@H](CC(=O)Nc1ccccc1C#N)C(C)(C)C 108672619 IXRNNDRGEYPMSY-LLVKDONJSA-N 244.338 3.569 30 20 BHED C[C@H](Sc1cccc(C#N)c1)C(F)(F)F 155791141 IXRGPNGUDYDPAI-ZETCQYMHSA-N 231.242 3.601 30 20 BHED C=C(C)CN[C@@H]1CCCC[C@@H]1C(C)(C)C 160633778 BZXSEIXRMRLHJY-QWHCGFSZSA-N 209.377 3.757 30 20 BHED CCc1nc(CSCCCCC#N)cs1 161464586 GYQSNSQJPNEXLT-UHFFFAOYSA-N 240.397 3.633 30 20 BHED C=CCCCC(=O)N(C)[C@H]1CCCC[C@H]1CC 176906617 FEUGOAMBOFQLHE-KGLIPLIRSA-N 237.387 3.770 30 20 BHED C=CCCCC(=O)Nc1cccc(Cl)c1 177455527 ITMLJOBWWPODAE-UHFFFAOYSA-N 223.703 3.635 30 20 BHED C#C[C@H](CCC)N[C@H](CC)c1ccccc1 233358589 OBBYATNTXZBGPF-HUUCEWRRSA-N 215.340 3.529 30 20 BHED CC[C@H](CC#N)NC[C@H](c1ccccc1)C(C)C 234039303 ODAZOWUWPZMMCQ-CVEARBPZSA-N 244.382 3.708 30 20 BHED C[C@@H]1CCCC[C@@H]1NCCCCC(C)(C)C#N 300120461 ORRICSDPUKSMHD-KGLIPLIRSA-N 236.403 3.875 30 20 BHED C=C(Br)CSc1cccc(F)c1 306200122 TZNPDTIFJLZOAT-UHFFFAOYSA-N 247.132 3.826 30 20 BHED C=CCCCCNc1ccc(Cl)cn1 308482173 MXBHMMMYHKUTQO-UHFFFAOYSA-N 210.708 3.503 30 20 BHED CCCCCCCN[C@@H](CC)[C@@H]1CCCO1 310022049 NVOATQZQKDTUEC-KBPBESRZSA-N 227.392 3.504 30 20 BHED C=C(C)C[C@@H](C)C(=O)Nc1ncccc1C(C)C 344141339 XHUYHQLEEGJXQI-GFCCVEGCSA-N 246.354 3.746 30 20 BHED C=CCCCn1ccc(-c2cccs2)n1 354324264 LYULMBMYOVDPPO-UHFFFAOYSA-N 218.325 3.578 30 20 BHED C=CCCNC1(c2ccccc2)CCCC1 381289388 AZSCIEBABCVWBD-UHFFFAOYSA-N 215.340 3.622 30 20 BHED C#C[C@H](NCc1sccc1Cl)C(C)(C)C 389915981 NAIJGZBQLHUYRO-NSHDSACASA-N 241.787 3.539 30 20 BHED C=CCCCSCc1ncc(C)s1 393570403 WLXQEXISKALVJZ-UHFFFAOYSA-N 213.371 3.651 30 20 BHED C=CC[C@@H](C)N[C@H](C)[C@@H]1C[C@H]1c1cccs1 417309684 JTMPVOHKNFVCNB-FVCCEPFGSA-N 235.396 3.794 30 20 BHED C=CCN(CCC#N)C[C@@H](CC)CCCC 428834374 MNIHGYUAJRPQRT-AWEZNQCLSA-N 222.376 3.604 30 20 BHED C=CCN(CCC#N)Cc1c(C)cccc1Cl 451058181 LGSBKEYMUHIOCH-UHFFFAOYSA-N 248.757 3.550 30 20 BHED C=CCCCSc1cccc(C#N)c1 468633203 WWRXFBZKVJQQCU-UHFFFAOYSA-N 203.310 3.617 30 20 BHED C=CCCOc1ccc(F)c(C(F)(F)F)c1 514729050 HCOUZUFENNNQMH-UHFFFAOYSA-N 234.192 3.799 30 20 BHED C=CCCC[C@@H](C)NCC1Cc2ccccc2C1 555104374 WQUOKYDBKWUBQO-CQSZACIVSA-N 243.394 3.736 30 20 BHED CC1(C)CCC[C@@H](CN2CCC[C@H](CC#N)C2)C1 597177919 SEZUWJZVWAISIE-HUUCEWRRSA-N 248.414 3.828 30 20 BHED C#CCCNc1ccccc1S[C@H](C)CC#N 760295273 FHCZMMWBCJDIBP-GFCCVEGCSA-N 244.363 3.516 30 20 BHED C=C(Cl)CN[C@@H](Cc1ccccc1C)C1CC1 793543318 ZKRWIRNGHVCLJN-HNNXBMFYSA-N 249.785 3.658 30 20 BHED CC(C)CCC(=NNc1cccc(F)n1)C1CC1 795007985 BBDAPQSNILIURL-UHFFFAOYSA-N 249.333 3.835 30 20 BHED CCCC[C@@H](C)C(C)=NNc1cccc(F)n1 807987053 DXTFHPKSEFCGNS-SNVBAGLBSA-N 237.322 3.835 30 20 BHED C=C[C@@H](C)ON=C1CC[C@@H]1c1ccccc1 844625480 MKMBZJOULBBGIK-DGCLKSJQSA-N 215.296 3.511 30 20 BHED C=CCc1ccccc1OCc1oc(C)nc1C 853645384 YZWYQLUOALIGHU-UHFFFAOYSA-N 243.306 3.599 30 20 BHED Cc1cc([C@H](C)NCC(C)(C)C#N)cc(C)c1F 903100754 WYIBTKTWJQNAEO-LBPRGKRZSA-N 248.345 3.643 30 20 BHED CC(C)CC(CC(C)C)=NNc1ccccn1 916275870 AFELQXRPSMJYPK-UHFFFAOYSA-N 233.359 3.942 30 20 BHED C[C@@H](C/N=C\c1cc(Cl)ccc1O)C1CC1 920177286 FOKSQXBJCKYWIA-AVPSXBMNSA-N 237.730 3.511 30 20 BHED Fc1c(Cl)cccc1NN=Cc1ccco1 921137539 BLGPFMJFUWEJIP-UHFFFAOYSA-N 238.649 3.518 30 20 BHED C=C[C@H](CC)CC(=O)N(C)[C@H](C)c1ccccc1 929530889 PZEQJRMZQBZIBZ-ZIAGYGMSSA-N 245.366 3.808 30 20 BHED CC[C@@H](c1ccc(F)cc1)N1CCC[C@H](C#N)C1 932156961 UMJJSZOFORJRGD-DOMZBBRYSA-N 246.329 3.512 30 20 BHED CCCN(Cc1ccc(C#N)c(C)c1)CC(C)C 1308622078 HRFJBBGJCNVNII-UHFFFAOYSA-N 244.382 3.735 30 20 BHED C[C@@H](CCNc1ccnc(C#N)c1)CC(C)(C)C 1458319887 NJHAQZOUTZAKSG-LBPRGKRZSA-N 245.370 3.828 30 20 BHED N#Cc1ccccc1SCC=C(Cl)Cl 1559373444 KXFXROHUPJDIQS-UHFFFAOYSA-N 244.146 3.969 30 20 BHED Cc1ccc(C)c(CS[C@H](C#N)C2CC2)c1 1613544987 YGCIPMRQJVJQAY-CQSZACIVSA-N 231.364 3.839 30 20 BHED N#C[C@H]1CC[C@@H](N[C@H]2CCCC23CCCCC3)C1 1658402527 MPBBMCXXXJTYER-ZNMIVQPWSA-N 246.398 3.771 30 20 BHED CCc1ccc(OCc2ccc(C#N)cc2)cc1 11834238 CLCBMIFJMXDWBZ-UHFFFAOYSA-N 237.302 3.700 30 20 BHED C[C@@H](Nc1cccc(C#N)c1)C1CCCCC1 37203195 DFSYFFQWKIOJHJ-GFCCVEGCSA-N 228.339 3.939 30 20 BHED C#Cc1cccc(NCc2cc(C)cc(C)c2)c1 38076731 PBMPRJWGBVOEIL-UHFFFAOYSA-N 235.330 3.897 30 20 BHED N#Cc1ccc(NC2CCC2)cc1C(F)(F)F 52211493 SMHXCZZVRZPVPV-UHFFFAOYSA-N 240.228 3.541 30 20 BHED C=CCCC(=O)NC[C@@H](c1ccccc1)C(C)C 60364981 TVEBSTJHPFDRRS-OAHLLOKOSA-N 245.366 3.509 30 20 BHED C=CC[C@@H](C)NCc1cccc(C(F)(F)F)c1 116927076 OFCRSGAOWHDULL-SNVBAGLBSA-N 243.272 3.760 30 20 BHED C=CCCN(C)[C@@H](C)c1sc(CC)nc1C 122074453 SGMAAWPUDADZQU-NSHDSACASA-N 238.400 3.583 30 20 BHED C=C[C@H](C)N[C@H](C)c1cc(C)c(F)c(C)c1 122994088 SECWLSYAQHYZJT-NWDGAFQWSA-N 221.319 3.668 30 20 BHED C=C[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 123470702 WUJJITXZUQTHPQ-MRVPVSSYSA-N 240.228 3.563 30 20 BHED C[C@H](NCC(C)(C)C#N)c1ccc(Cl)s1 129210471 KSPNEZRWWQKYSA-QMMMGPOBSA-N 242.775 3.602 30 20 BHED C=CCC(CC=C)C(=O)N(C)[C@H]1CCC[C@H](C)C1 176938432 LGLZDGURWCIPDH-ZFWWWQNUSA-N 249.398 3.792 30 20 BHED Cc1nc(CSCCCCC#N)sc1C 178399008 RCGANUCRECZAEN-UHFFFAOYSA-N 240.397 3.687 30 20 BHED CC(F)(F)CCSc1ccccc1C#N 216280276 CKXLAORROQGASB-UHFFFAOYSA-N 227.279 3.696 30 20 BHED CC(C)=CCNc1cc(Cl)ccc1C#N 232637324 YGUUTCSDKIFXDI-UHFFFAOYSA-N 220.703 3.590 30 20 BHED C[C@H]1CCCCN1CCCCC(C)(C)C#N 235578260 SDYSBMGEAXLGNW-ZDUSSCGKSA-N 222.376 3.581 30 20 BHED CC(C)(C#N)CCSCCOc1ccccc1 266238090 LEGJORFOTMHEGT-UHFFFAOYSA-N 249.379 3.738 30 20 BHED C[C@H](c1ccco1)N(C)CCCCC(C)(C)C#N 277653688 IMBWVFJXOBXDHT-CYBMUJFWSA-N 248.370 3.992 30 20 BHED C=CCCN[C@H](c1ccccc1C)C(C)C 309316446 DDGAAUWXGOKPKI-HNNXBMFYSA-N 217.356 3.858 30 20 BHED C=CC[C@H](CC)NCc1ccc(Cl)cc1F 309410706 BSOVFNRKGRTZSM-LBPRGKRZSA-N 241.737 3.923 30 20 BHED C=CCCCCC[C@@H](C)NC[C@@H]1CCSC1 309575009 OQGQQNLWOAQLQZ-KGLIPLIRSA-N 241.444 3.854 30 20 BHED C=CCCCCNCc1ccc([C@@H]2C[C@H]2C)o1 310179166 NABGHQFHUOLIRL-TZMCWYRMSA-N 233.355 3.849 30 20 BHED CC(C)C[C@H](C)CNc1cccc(CC#N)c1 313473091 FLRDWHNBJVIMNB-ZDUSSCGKSA-N 230.355 3.847 30 20 BHED CC[C@@H]1CC[C@@H]1N[C@H](CCC#N)c1ccccc1 348414393 ROCXZUQSMMOFAH-BMFZPTHFSA-N 242.366 3.810 30 20 BHED C[C@H](SCCC#N)c1ccc(F)c(F)c1 413014323 PYSQDDIUYYNURS-QMMMGPOBSA-N 227.279 3.673 30 20 BHED N#CCCS[C@@H]1CCCc2ccccc21 413016590 WLYIXHILNXICNT-CYBMUJFWSA-N 217.337 3.711 30 20 BHED C=CC[C@@H](CC)Nc1ncnc2cccc(F)c12 440647793 VMLLKFGPHHDGOA-SNVBAGLBSA-N 245.301 3.536 30 20 BHED CC#CCCCC(=O)N1CCC[C@@]1(C)CC(C)C 452505804 BWUXESJCHNCEFD-INIZCTEOSA-N 249.398 3.607 30 20 BHED C=C(C)CCNC(=O)N(CCCCC)C(C)C 458996116 HSCRNJKGFZKZEI-UHFFFAOYSA-N 240.391 3.563 30 20 BHED CC#CCCN1CCCC[C@H]1c1ccccc1 462447428 ODKDCXWGHNDRSE-INIZCTEOSA-N 227.351 3.627 30 20 BHED C=CC[C@H](CC)N[C@H]1CCc2c(C)cccc21 467404374 KDWYQVMUAILAMW-BBRMVZONSA-N 229.367 3.927 30 20 BHED CC(C)C[C@@H]1CCC[C@H](NCCCCC#N)C1 474726795 HWOCTLPXPRLYGK-GJZGRUSLSA-N 236.403 3.875 30 20 BHED C=CCN(CCSC1CCCCC1)C1CC1 500979110 AOWAMYVWADDFSP-UHFFFAOYSA-N 239.428 3.703 30 20 BHED C=CCCCc1nc(-c2ccc(C)c(F)c2)no1 531130027 MPFADDFWXSFKIC-UHFFFAOYSA-N 246.285 3.693 30 20 BHED C=CCC(C)(C)c1noc([C@@H]2C[C@H]2C2CCC2)n1 579360639 LZHKJTYPGXPLAK-NWDGAFQWSA-N 246.354 3.827 30 20 BHED CC(C)c1cccc(Cn2ccc(C#N)c2)c1 596266264 PGOSLJDQBTXKLI-UHFFFAOYSA-N 224.307 3.531 30 20 BHED C[C@H](CCC#N)CN(C)c1ccc2cc[nH]c2c1 602648936 PUQZKTGGIRKOFU-GFCCVEGCSA-N 241.338 3.544 30 20 BHED C=CC[C@H]1CCCN(C(=O)C(C)(C)C2CCC2)C1 617776780 AWGGVUOVMRQEKH-ZDUSSCGKSA-N 249.398 3.627 30 20 BHED C=CC[C@H]1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 617781026 CHASYLQRTYJCME-UONOGXRCSA-N 249.398 3.627 30 20 BHED C=C(CC)CN1C[C@@H](C(F)(F)F)CC[C@H]1C 679547261 MRKBEUFZRYKCRA-MNOVXSKESA-N 235.293 3.615 30 20 BHED CC(=NN[C@@H](C)c1ccccc1)C1CCCC1 733076562 TWLXRSVBAWOUQE-LBPRGKRZSA-N 230.355 3.903 30 20 BHED C=CCN(CCc1ccc(CC)cc1)C(C)C 734484543 YHNQUQGDERHYMG-UHFFFAOYSA-N 231.383 3.688 30 20 BHED C=CCCCOC(=O)c1oc2ccccc2c1C 735523995 GVWONEVVLQNREA-UHFFFAOYSA-N 244.290 3.864 30 20 BHED CCCCC=NNc1ccc(F)cc1C 755816118 YFWIFVGXYYHJPP-UHFFFAOYSA-N 208.280 3.722 30 20 BHED CCON=C(CC)c1c(F)cccc1Cl 767766217 YRIYVEZYEBNRMB-UHFFFAOYSA-N 229.682 3.630 30 20 BHED CC(=NNc1cc(C)ccc1C)[C@@H]1CCCOC1 779763895 WLVRTHOQNATUKT-CQSZACIVSA-N 246.354 3.518 30 20 BHED C#CCC1(C(=O)N(CC)CCCC)CCCCC1 788137971 GNIOIVLTVFEJBG-UHFFFAOYSA-N 249.398 3.609 30 20 BHED C[C@H](C=NNc1ccccc1)C(C)(C)C 800803696 LHQPFOQMLVWRIH-LLVKDONJSA-N 204.317 3.767 30 20 BHED C=CCCCNc1ccc(OC(F)F)cc1F 800878164 YEGULOOUAOJZKM-UHFFFAOYSA-N 245.244 3.805 30 20 BHED CCCC[C@@H]1CCCC1=NOC1CCC1 812235644 LMTNCJXTGYUHMI-LLVKDONJSA-N 209.333 3.902 30 20 BHED Cc1cc(F)ccc1NN=CCCC(C)C 814885409 ZPRKWJMXGLFTOV-UHFFFAOYSA-N 222.307 3.968 30 20 BHED CCC[C@H](CC(C)C)C(=O)OCCCCC#N 835159084 DFICDHWFXKBREJ-CYBMUJFWSA-N 239.359 3.686 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)c1ccc(C)cc1F 841326905 UGHZGBJWMOXBMG-OAHLLOKOSA-N 249.329 3.699 30 20 BHED CCCON=C(C)[C@H](C)c1ccc(OC)cc1 842557425 OWZHFETUWSJJTA-NSHDSACASA-N 235.327 3.601 30 20 BHED CC(C)[C@@H](C)Sc1nc(C#N)c(Cl)s1 853394224 JJTYUKUUFSKHPW-ZCFIWIBFSA-N 246.788 3.805 30 20 BHED CCCCCC[C@@H](C)NC[C@@H](C)CCC#N 876905678 WNAAADVJAGCWRW-UONOGXRCSA-N 224.392 3.875 30 20 BHED C=C(C)CCc1noc(CC(C2CC2)C2CC2)n1 1322428022 OZJJWIXDNNFCNV-UHFFFAOYSA-N 246.354 3.557 30 20 BHED CCCC[C@H](C)C(=O)O[C@H](CC#N)c1ccco1 1345981825 LJYZXUFRBJVMOE-WCQYABFASA-N 249.310 3.604 30 20 BHED CC[C@@H]1CCC[C@@H]1CNc1snc(C)c1C#N 1458385935 VAPQEJLTXPPJPY-GHMZBOCLSA-N 249.383 3.561 30 20 BHED CC1CC(COc2ccc(C#N)c(Cl)c2)C1 1613720398 ASDWYRVLNYUSHR-UHFFFAOYSA-N 235.714 3.637 30 20 BHED CC[C@H](C#N)Sc1ccc(C)cc1C 43557510 TXGBARNOWKTTIV-LLVKDONJSA-N 205.326 3.698 30 20 BHED CCCCCCC[C@H](C)NCC1CCOCC1 111156862 BAFFUPFVOVLLKY-AWEZNQCLSA-N 241.419 3.752 30 20 BHED C=CCN(C)C(=O)C[C@@H](CC)c1ccc(C)cc1 161469504 MRFBFEYDVMKRIA-CQSZACIVSA-N 245.366 3.523 30 20 BHED CCCCN(Cc1ccc(C#N)cc1C)C1CC1 165455422 SUZOLFLBXSFKHI-UHFFFAOYSA-N 242.366 3.631 30 20 BHED CC(C)[C@@H](NCC(C)(C)C#N)c1ccccc1 167318013 DBJNKIMVCWMJAS-CQSZACIVSA-N 230.355 3.523 30 20 BHED C=C[C@](C)(CC)C(=O)N1CCCc2ccccc21 191790625 CYZKHDQHSLNDQM-MRXNPFEDSA-N 243.350 3.568 30 20 BHED CC1(C)CCCC[C@@H]1N[C@@H]1CCC[C@@H](C#N)C1 248832043 MPQWTYHBDVWKQT-MCIONIFRSA-N 234.387 3.627 30 20 BHED C=CCC[C@@H](C)N[C@H](CCC#N)c1ccccc1 273491813 OKFSKNGANXTVTL-GDBMZVCRSA-N 242.366 3.976 30 20 BHED CC/C=C/CCN[C@@H](C)c1ccc(C#N)cc1 274337484 NLWJCHZRQMEPNV-IHVVCDCBSA-N 228.339 3.565 30 20 BHED C=CCCN(C)C(=O)[C@H](CCC)c1ccccc1 276462296 WATUNMXPHQEKJD-OAHLLOKOSA-N 245.366 3.605 30 20 BHED C=CC[C@H](CC)NCc1cccc(Cl)c1 308970988 ZJWGPLRBWGWCAP-ZDUSSCGKSA-N 223.747 3.784 30 20 BHED CC[C@H](C)[C@H](NCC#N)c1ccc(Cl)cc1 309456255 MNUYREYCTKSBPQ-GWCFXTLKSA-N 236.746 3.540 30 20 BHED Cc1cc(S[C@@H]2CC[C@@H](C#N)C2)ccc1C#N 335468785 DAQKDOIYYZPZIN-BXUZGUMPSA-N 242.347 3.651 30 20 BHED C=CCN(CC[C@H](C)F)Cc1ccccc1F 351846050 ZGFPIVPRMVOVGJ-LBPRGKRZSA-N 239.309 3.562 30 20 BHED C=CC[C@H](C)N[C@@H](CCC(C)C)C1CC1 379808586 YDGPDOGOMAGJCK-JSGCOSHPSA-N 209.377 3.755 30 20 BHED C=C(CN[C@@H]1CCC[C@@H]1CC)c1ccccc1 388586382 IJIUJGHLDFBFEM-GOEBONIOSA-N 229.367 3.868 30 20 BHED C=CCC[C@@H](C)N[C@H]1CSc2ccccc21 390614415 GHYGICWERDREOE-YPMHNXCESA-N 233.380 3.778 30 20 BHED N#Cc1ccc(OCCCCF)c2ccccc12 419055940 PIIHWOOQIBBKCS-UHFFFAOYSA-N 243.281 3.840 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H]1CCC[C@H]1CCC 451429589 ZLXVKNXJNYSANT-HZSPNIEDSA-N 237.387 3.674 30 20 BHED C=CCC[C@H](CC)NC[C@@H]1CCOC(C)(C)C1 453404025 DJISLMHSURRYSC-KGLIPLIRSA-N 239.403 3.526 30 20 BHED CC#CCCCC(=O)N(CC)c1cccc(C)c1 464560197 LMBDYQNIALYYDE-UHFFFAOYSA-N 243.350 3.542 30 20 BHED C=CCCCCNC(=O)[C@H](CC)c1ccccc1 471669994 XWVRCUIWANBAJX-OAHLLOKOSA-N 245.366 3.653 30 20 BHED C=CCCCN(Cc1cccc(F)c1)C1CC1 522776676 WASPQOMXUSEAKP-UHFFFAOYSA-N 233.330 3.756 30 20 BHED C=CCCNC(=O)C[C@H](CC)c1ccc(C)cc1 617616271 PPMPSTOHAXVXMF-AWEZNQCLSA-N 245.366 3.571 30 20 BHED C=CCN(C/C=C\Cl)CC1CCCCC1 732695810 PBCLCBBYWFKQOE-TWGQIWQCSA-N 227.779 3.807 30 20 BHED C#CCCCN1CCC[C@H]1c1ccc(Cl)cc1 766896319 LPOGOZRSCIAQMF-HNNXBMFYSA-N 247.769 3.890 30 20 BHED CC(C)(C#N)CCCCOC(=O)[C@@H]1CC=CCC1 768459686 MLBVDZXNNPTTAU-CYBMUJFWSA-N 249.354 3.606 30 20 BHED C=CCCN(CC)c1ccc2[nH]ccc2c1 788281557 LJAYKFBZYLUAQS-UHFFFAOYSA-N 214.312 3.570 30 20 BHED CCc1cccc(Cl)c1C=NN[C@@H](C)CC 790184206 ZNLCHIGBNNNHDS-JTQLQIEISA-N 238.762 3.624 30 20 BHED C#C[C@@H](CCC)NC(=O)C[C@H](C)CCCCC 791202891 VOKMFIBNUUKIFD-KGLIPLIRSA-N 237.387 3.511 30 20 BHED CCCCCCCCCN1CC[C@H](COC)C1 792231968 RSHJFKHTZKYIEC-HNNXBMFYSA-N 241.419 3.705 30 20 BHED CCCC(CCC)=NN[C@H](C)C(C)(C)C 793114371 GHPMLBGXYKVEMM-LLVKDONJSA-N 212.381 3.967 30 20 BHED c1cc2c3c(c1)C(=NOC1CCC1)C[C@H]3CCC2 812236976 CSXFLFLULQJJAT-GFCCVEGCSA-N 241.334 3.783 30 20 BHED Cc1ccc(C2CC(=NOC3CCC3)C2)cc1 812236998 DYFPNERXNHQMLB-UHFFFAOYSA-N 229.323 3.798 30 20 BHED C#CCCCCCC(=O)NC1(CC)CCCCC1 836871824 NVBJUXFIVBBVMC-UHFFFAOYSA-N 249.398 3.799 30 20 BHED Fc1ccc(CON=C2CCC[C@@H]3C[C@H]23)cc1 841633445 WMMSFMBMGTYZBM-YPMHNXCESA-N 233.286 3.518 30 20 BHED Cc1cccc(Cl)c1CON=CC1CC1 853736311 VVRPHACCPZSUBU-UHFFFAOYSA-N 223.703 3.561 30 20 BHED C=C(C)CCC(=O)Nc1ccc(C)cc1C 1262560612 WKXFQNOSSRHIEO-UHFFFAOYSA-N 217.312 3.598 30 20 BHED COc1cc(OC[C@@H](C)C(C)(C)C)ccc1C#N 1613745809 JAZOLJRKJWVTAA-LLVKDONJSA-N 247.338 3.628 30 20 BHED C=C(Cl)CN[C@@H](C)[C@H]1CCC[C@H](C)C1 1618570573 ZIACLDJHEFYDJD-DLOVCJGASA-N 215.768 3.543 30 20 BHED C=C(Cl)CN[C@](C)(CC)c1ccccc1 1653963759 CYKQVLQEBGOGEK-CYBMUJFWSA-N 223.747 3.654 30 20 BHED C=CCNc1nc(-c2ccc(F)cc2)c(C)s1 7843341 KBDVTGPGMFZXOO-UHFFFAOYSA-N 248.326 3.856 30 20 BHED CC(C)c1cccc(Oc2ncccc2C#N)c1 19804622 FIBRIVJMVUJXMU-UHFFFAOYSA-N 238.290 3.869 30 20 BHED CCCC[C@@H](C)Nc1cccc(C#N)c1 37203184 LZDVNKONFOEMAI-LLVKDONJSA-N 202.301 3.549 30 20 BHED C[C@H](NCCCCC#N)c1ccc(Cl)cc1 42224808 APUHTFZVRYKNTH-NSHDSACASA-N 236.746 3.684 30 20 BHED C#CCCCCN[C@H](C)Cc1ccc(Cl)cc1 91377866 SQLHOQMQNQWKDN-CYBMUJFWSA-N 249.785 3.664 30 20 BHED Cc1cc(NCc2cc(C#N)cs2)ccc1F 93687991 KUCUHYDZVLDSIJ-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C=CC[C@H](C)NC1CC(c2ccc(C)cc2)C1 167510855 VZNYJWFXKOGPCE-JEYLPNPQSA-N 229.367 3.795 30 20 BHED C=CCCCCCN(C)[C@H](C)c1ccncc1 172654845 SQQZQBLNNLLYMN-CQSZACIVSA-N 232.371 3.821 30 20 BHED C#CCC(C)(C)C(=O)N(C)C1CCCCCCC1 185566538 DKLGTRLYYPSMNO-UHFFFAOYSA-N 249.398 3.607 30 20 BHED Cc1ccccc1/C=C\C(=O)c1cccs1 210101739 ZWKMEXGFMGUNFP-HJWRWDBZSA-N 228.316 3.953 30 20 BHED Cc1ccnc(N[C@H]2CCC[C@H](C)CC2)c1C#N 235667878 IUMHHSXKFIVTQI-AAEUAGOBSA-N 243.354 3.642 30 20 BHED CN(Cc1ccc2ccccc2c1)C(C)(C)C#N 258872652 URXZWMKGFMTJRD-UHFFFAOYSA-N 238.334 3.574 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccc(Cl)nc1 281801409 YIOBXEPIMKRUDU-ZYHUDNBSSA-N 238.762 3.740 30 20 BHED CSc1ccccc1[C@@H](C)N[C@H](C)CCC#N 297935821 AAQHZZVCOOCSJY-VXGBXAGGSA-N 248.395 3.751 30 20 BHED CCCCN(CCC#N)[C@@H]1CCC[C@H](C)C1 339642875 BZHYIWUDCRGNJQ-UONOGXRCSA-N 222.376 3.581 30 20 BHED C=CCCC1(C(=O)N(C)c2ccc(F)cc2)CC1 354784816 FHTKGZIMKLLYGS-UHFFFAOYSA-N 247.313 3.535 30 20 BHED C=CCOc1ccccc1CN[C@H]1CCC1(C)C 385155043 ZWCZZQSYJCEYSQ-HNNXBMFYSA-N 245.366 3.530 30 20 BHED C=CC[C@@H](CC)NCc1ccc2[nH]ccc2c1 393769770 IWPGCTALOULOIJ-CQSZACIVSA-N 228.339 3.612 30 20 BHED CC(C)N(CCCC#N)[C@@H](C)c1ccsc1 421008429 MGAYNXDEYLHAHI-LBPRGKRZSA-N 236.384 3.823 30 20 BHED CC[C@H](F)CN[C@H](CCCC#N)c1ccccc1 433024475 CXSSZXJJGGJXCI-LSDHHAIUSA-N 248.345 3.759 30 20 BHED N#Cc1cccnc1/C=C/c1sccc1Cl 486052622 JVQVGFDZERHGBV-ONEGZZNKSA-N 246.722 3.839 30 20 BHED C=CCCCCCN1CCC[C@@H]1c1ccccn1 562626350 BZYJYQNVWUYTFZ-MRXNPFEDSA-N 244.382 3.965 30 20 BHED C=CCC[C@H](N[C@@H]1CCC[C@@H](F)C1)C1CC1 565657087 XDLOJILMYMAEJE-MCIONIFRSA-N 225.351 3.602 30 20 BHED CN(CCC1CCCCC1)[C@H]1CC[C@@H](C#N)C1 584517672 FRQWTGBAJKVHIM-CABCVRRESA-N 234.387 3.581 30 20 BHED COc1cccc(NCCCC(C)(C)C#N)c1C 600576795 GIYPBZKEUPHKMK-UHFFFAOYSA-N 246.354 3.746 30 20 BHED CN(CCCCC(C)(C)C#N)c1ccsc1 602871374 XLJVZPJQBDPPIZ-UHFFFAOYSA-N 236.384 3.904 30 20 BHED C=C(C)CCOC(=O)C1(c2ccccc2C)CC1 744304548 XHPQEPQTUKEBJZ-UHFFFAOYSA-N 244.334 3.536 30 20 BHED CCC(CC)=NNc1ccc(F)cc1C 750938960 RKYMMSIJSCHXND-UHFFFAOYSA-N 208.280 3.722 30 20 BHED Cc1ccnc(NN=C2CCC[C@@H](C3CC3)C2)c1 755906782 QQJGVBBJBGJKLS-CYBMUJFWSA-N 243.354 3.758 30 20 BHED CC1=CCC[C@@H](C)[C@@H]1C=NNc1ccnc(F)c1 781134195 VRNDNDBXGNNRII-DGCLKSJQSA-N 247.317 3.611 30 20 BHED COc1cc(F)ccc1NN=C1CCC12CCC2 799886544 UHSFEQRVGXGVPY-UHFFFAOYSA-N 248.301 3.566 30 20 BHED C=C(CNc1ccnc(Cl)c1)c1ccccc1 808072979 AKXUCQVQHGZPRU-UHFFFAOYSA-N 244.725 3.860 30 20 BHED CCCC(=NOC1CCCC1)c1cccnc1 814893796 BIAPKASYSBLLQC-UHFFFAOYSA-N 232.327 3.545 30 20 BHED CC(=NO[C@H]1CCCCO1)[C@@H]1C[C@H]2C=C[C@H]1CC2 842530417 LZOVWLXVRNNYRM-AJNGGQMLSA-N 249.354 3.508 30 20 BHED CCC(Cc1ccc(C(F)(F)F)cc1)=NOC 853289592 OGIBKWZEIMDIED-UHFFFAOYSA-N 245.244 3.660 30 20 BHED CCCCCCCCOC(=O)[C@@H]1C[C@@H]1C 918493952 HXRYFNOROKKIIR-NWDGAFQWSA-N 212.333 3.546 30 20 BHED FC(F)(F)[C@@H]1CCC[C@@H](C=NOC2CCC2)C1 1333709414 ZFTROIXOVQVKED-NXEZZACHSA-N 249.276 3.910 30 20 BHED C[C@H](N[C@@H]1CCCC[C@H]1C)c1cccc(C#N)c1 37211575 BYIGTYJYTIGCMK-DVOMOZLQSA-N 242.366 3.788 30 20 BHED CCCCCCCC(=O)N(C)c1ccc(N)cc1 59082207 YRYHLIIJPBCANX-UHFFFAOYSA-N 248.370 3.592 30 20 BHED CC(C)CSc1ccc(C#N)cc1Cl 62794166 SFMDAZNVLNTSBZ-UHFFFAOYSA-N 225.744 3.960 30 20 BHED CC(C)(C#N)CCN1CCC2(CCCC2)CC1 87595596 LBEFREQXZYRPKG-UHFFFAOYSA-N 234.387 3.582 30 20 BHED CC(C)CCN(c1cccc(F)c1C#N)C1CC1 96523247 DJHRSXGNEHYVEC-UHFFFAOYSA-N 246.329 3.712 30 20 BHED CCCCCCCCC(=O)Nc1ccccc1N 115061949 RJBIIHUYCIBEJO-UHFFFAOYSA-N 248.370 3.958 30 20 BHED C=CCC(CC=C)C(=O)N(C)[C@H]1CCCC[C@@H]1C 122559535 SAJXKBSBTDDRAN-ZFWWWQNUSA-N 249.398 3.792 30 20 BHED C=CC[C@H](C)N[C@H]1CCc2c(C)cccc21 129627651 NOBBIHVQQWTYRB-WFASDCNBSA-N 215.340 3.537 30 20 BHED C=CCC[C@@H](CCC)N[C@@H]1CCCSC1 159654366 VHAWKSWCOREYCS-CHWSQXEVSA-N 227.417 3.607 30 20 BHED C=CCCN[C@H](CC)c1cc(F)ccc1F 179782089 KUBLNFWDSZZIPA-CYBMUJFWSA-N 225.282 3.582 30 20 BHED C#CCCCCN[C@@H](C)CCc1cccc(C)c1 222290747 VPYHOIDKJNNWPB-INIZCTEOSA-N 243.394 3.709 30 20 BHED C=CCN(C(=O)c1ccc(C(C)C)cc1)C1CC1 271545808 PYMNZDFESLVQKQ-UHFFFAOYSA-N 243.350 3.601 30 20 BHED C=CCC[C@H](C)Nc1ccccc1O[C@H](C)C#N 273449341 OITUREBYRCGNNE-QWHCGFSZSA-N 244.338 3.744 30 20 BHED C[C@@H](CCC#N)N[C@@H](c1ccccc1)C1CCC1 278959684 NQXVSCQGGXRIDJ-BBRMVZONSA-N 242.366 3.810 30 20 BHED C=CCCC(=O)OCc1ccc(C(C)C)nc1C 293090418 PLHATPIJYMDGFP-UHFFFAOYSA-N 247.338 3.523 30 20 BHED C=CCSc1ncc(Cl)cc1Cl 306166039 PGHHFTHHPKQVEW-UHFFFAOYSA-N 220.124 3.667 30 20 BHED CC[C@@H](NCCC(C)(C)C#N)c1ccc(C)cc1 345955604 STVLOPQRRCYHPW-OAHLLOKOSA-N 244.382 3.976 30 20 BHED CC[C@](C)(C#N)c1nc([C@@H]2CCC[C@H](C)C2)no1 346253054 MTLKADHBJLJOSS-MISXGVKJSA-N 247.342 3.555 30 20 BHED CCN(C/C=C/c1ccc(Cl)cc1)CCC#N 349873727 KZMMZKRLEKFIHH-HWKANZROSA-N 248.757 3.589 30 20 BHED C=C1CCN(Cc2ccc(SC)s2)CC1 356232911 PXPDDFPLLXFDCZ-UHFFFAOYSA-N 239.409 3.622 30 20 BHED C=CC[C@H](CC)N[C@@H]1CC(C)(C)C[C@H]1C 379948056 RSBGVRCEVJGSPF-FRRDWIJNSA-N 209.377 3.755 30 20 BHED C[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 411145130 BMSIHKRTMZUSOF-CQSZACIVSA-N 234.387 3.582 30 20 BHED CC(C)[C@@H](N[C@H](C)CCC#N)c1ccc(F)cc1 411687176 FONATXKCMWOUBS-IUODEOHRSA-N 248.345 3.805 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cc(F)ccc1C 424525505 MLJZGPFOVOKOMZ-UHFFFAOYSA-N 235.302 3.675 30 20 BHED N#Cc1cccc([N+](=O)[O-])c1SC1CCCC1 425206052 XGMCOPXZJVSFMY-UHFFFAOYSA-N 248.307 3.501 30 20 BHED CC(C)(CN[C@@H]1CCC[C@@H](C#N)C1)C1=CCCC1 453388033 FOQPUUYQUYNNNR-UKRRQHHQSA-N 246.398 3.795 30 20 BHED CC#CCCCC(=O)NCC[C@H]1CCCC[C@H]1C 466443090 AYLQAGQTFIDPQM-HUUCEWRRSA-N 249.398 3.513 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@H]1CC[C@H](CC)CC1 488835022 HWKIDMGLACUNLZ-KKUMJFAQSA-N 249.398 3.770 30 20 BHED C=CCN(C(=O)[C@H]1CC[C@@H](C)C1)c1ccccc1 538449523 CUIRBXHFNNJMKR-KGLIPLIRSA-N 243.350 3.642 30 20 BHED N#C[C@H](SC1CCCC1)c1ccccc1 564352006 RUXZNZGVALXSBH-ZDUSSCGKSA-N 217.337 3.927 30 20 BHED Cc1cc(SC[C@@H]2CC[C@@H](C)O2)ccc1C#N 572720835 CXNINSCLCHTCPQ-YPMHNXCESA-N 247.363 3.526 30 20 BHED Cc1ccc(C#N)c(Nc2ccc(C3CC3)cc2)n1 588011380 DERZLSAFYUZQSF-UHFFFAOYSA-N 249.317 3.883 30 20 BHED CC[C@@H]1CCC[C@H](C)N1CCC(C)(C)C#N 595867049 JZWJLLDDUMWKFF-QWHCGFSZSA-N 222.376 3.579 30 20 BHED Cc1cccc2c1CC[C@@H]2NC[C@H](C)CCC#N 602539065 AVCDJQJBBZUILY-WBMJQRKESA-N 242.366 3.512 30 20 BHED Cc1ccccc1C(C)(C)NC[C@H](C)CCC#N 602676607 PRRZEGJTSTUQKV-CYBMUJFWSA-N 244.382 3.760 30 20 BHED C=CCCC(C)(C)NC(=O)C[C@@H]1C=CCCC1 620857100 NLGZSTPEKXPPKN-CYBMUJFWSA-N 235.371 3.594 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 626370086 AVMXDUYGEXIRKV-ORIJERBGSA-N 249.398 3.674 30 20 BHED C=CCCCOC(=O)c1c(F)cccc1Cl 735527047 DERLNVBSBRKYHZ-UHFFFAOYSA-N 242.677 3.602 30 20 BHED O=C(/C=C/c1ccc(Cl)nc1)c1cccs1 748995179 XJMMBJAZJPNJED-HWKANZROSA-N 249.722 3.693 30 20 BHED COc1ccc(NN=C(C)C2CCCC2)cc1 750921423 JIBISVWNZDAVBQ-UHFFFAOYSA-N 232.327 3.673 30 20 BHED C=CCCCCCN(C)C/C(Cl)=C/Cl 763559077 AMENCENBUBIRMQ-LUAWRHEFSA-N 236.186 3.984 30 20 BHED Cc1cc(F)ccc1NN=C1CCC1(C)C 789034975 UEJFUEXZYBAMML-UHFFFAOYSA-N 220.291 3.722 30 20 BHED Cc1cccc(F)c1NN=C1CCC1(C)C 789050280 DRAIUMKIVXCNGN-UHFFFAOYSA-N 220.291 3.722 30 20 BHED CC[C@@H](C)NN=Cc1cc(Cl)ccc1Cl 790183483 SNTKRANIYNWFJD-MRVPVSSYSA-N 245.153 3.715 30 20 BHED C#CC[C@@H](N[C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 800975782 LARLHDVEDYBDAF-YLFCFFPRSA-N 239.362 3.529 30 20 BHED N#CCCCCCC(=O)OCC1=CCCCC1 835817078 PLBGCERXKMYDCK-UHFFFAOYSA-N 235.327 3.504 30 20 BHED CCSCCS[C@@H](C#N)c1ccccc1 849893026 WGZKZRXMHFIUBF-LBPRGKRZSA-N 237.393 3.738 30 20 BHED C=C1CCC(C(=O)N2CCC(C(C)C)CC2)CC1 896686516 PAGCWMPGAJDMCB-UHFFFAOYSA-N 249.398 3.627 30 20 BHED C=C(C)CN(CC)C(=O)[C@H](C)c1ccccc1C 930119002 KWCAMDCRGQYRDV-CQSZACIVSA-N 245.366 3.523 30 20 BHED C=CCN1C[C@H]2CCCC[C@]21c1ccccc1 1319808231 LDTOBOHBGBQQHJ-CVEARBPZSA-N 227.351 3.574 30 20 BHED CC(C)CC[C@H]1CC[C@@H](NCC2(CC#N)CC2)C1 1656175093 ZXSVTYCODADUMH-LSDHHAIUSA-N 248.414 3.875 30 20 BHED CC(C)CC[C@@H](C)Nc1ccc(OCC#N)cc1 20126558 UZSUSTGMBLOVFK-CYBMUJFWSA-N 246.354 3.826 30 20 BHED N#Cc1cccc(-c2cccc3ccncc23)c1 82794798 MNLCVVBDFADIPL-UHFFFAOYSA-N 230.270 3.773 30 20 BHED C=CCCCC(=O)N[C@H](C)c1ccc(C)c(F)c1 88235184 CNLRROLTFJNAEV-GFCCVEGCSA-N 249.329 3.668 30 20 BHED CCCCCCCOC(=O)c1ccccc1F 108498943 MQUVYYKIXFZNSJ-UHFFFAOYSA-N 238.302 3.953 30 20 BHED C=CCCCC[C@@H](C)NCc1scnc1C 131933097 RLQQGGCNHLJTPI-LLVKDONJSA-N 238.400 3.676 30 20 BHED C=C(C)CCOC(=O)CCCCCCC 147726495 ZUZADDSMHJSIRK-UHFFFAOYSA-N 212.333 3.856 30 20 BHED CCCCCCCCN[C@H]1CCO[C@H](CC)C1 160841284 PJKULJNHLFTDMS-LSDHHAIUSA-N 241.419 3.894 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H](C)[C@@H](C)CC 181476470 GOWQQRCIUPQZKC-AVGNSLFASA-N 225.376 3.530 30 20 BHED C=CC[C@H](C)N[C@H]1CCCOc2cc(F)ccc21 182139365 ZAOPQZBQLQAPNI-FZMZJTMJSA-N 249.329 3.594 30 20 BHED Cc1cccc(C(=O)/C=C\c2ccc(C#N)cc2)c1 209181457 AHSHZLFHDYLNBD-KTKRTIGZSA-N 247.297 3.763 30 20 BHED CC(C)[C@@H](C)Sc1cccc(F)c1C#N 230923564 LAYVJHKIYYCWGF-SECBINFHSA-N 223.316 3.834 30 20 BHED C=CCC[C@H](C)N[C@@H]1CC[C@H](C)C[C@@H]1C 252813651 RUSHHZIGJORLHB-XDQVBPFNSA-N 209.377 3.755 30 20 BHED C=CCC[C@@H](CCC)N[C@H]1CCCc2cn[nH]c21 271493875 KVXLVPNRPITNDN-KGLIPLIRSA-N 247.386 3.512 30 20 BHED C[C@H](C#N)SCc1ccc(C(F)(F)F)cc1 279953703 NHURMSYHSYYMKS-MRVPVSSYSA-N 245.269 3.851 30 20 BHED C=CCCCNc1ccc(Cl)c([N+](=O)[O-])c1 303858065 PEEBPGHRYRYPRB-UHFFFAOYSA-N 240.690 3.626 30 20 BHED C=CCCN(C)C(=O)c1ccc(C(C)C)s1 342504771 HYBFJZLPVOEBQN-UHFFFAOYSA-N 237.368 3.520 30 20 BHED CC(C)(CCC#N)CN[C@H]1CCC[C@@H](C2CC2)C1 344634269 SAHGTJDILQVZQO-CABCVRRESA-N 248.414 3.875 30 20 BHED C=C(C)CCN(C)Cc1cccc2[nH]ccc12 352405697 IXRSGKXNOOKHNB-UHFFFAOYSA-N 228.339 3.566 30 20 BHED CC(C)(C)OCCCCOc1ccccc1C#N 352548697 UTZBDDQGYHNMGX-UHFFFAOYSA-N 247.338 3.532 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccsc1 385048721 QGGHLQCFJAQVNX-JTQLQIEISA-N 209.358 3.611 30 20 BHED Cc1ccc([C@@H]2CCCN2[C@@H](C)CCC#N)s1 411281695 NQKOKLIHHAREFI-AAEUAGOBSA-N 248.395 3.886 30 20 BHED Cc1ccc(C)c([C@H](C)NCC(C)(C)CC#N)c1 414169377 RQWOYDDGLXWCFR-AWEZNQCLSA-N 244.382 3.894 30 20 BHED C=CCC[C@H](CC)NC1CCC(COC)CC1 414308267 IAQZUDFNRDTLPO-SLTAFYQDSA-N 239.403 3.526 30 20 BHED CCCCCN(CC1(C#N)CCC1)C(C)C 450257858 XXTFIVNBGBFZEO-UHFFFAOYSA-N 222.376 3.581 30 20 BHED CC#CCCCC(=O)N([C@H](C)CC)[C@H](C)CC 467208476 RVAFHJGYHRXDCW-ZIAGYGMSSA-N 237.387 3.606 30 20 BHED Cc1cc(CN[C@@H]2CCCC[C@@H]2C)ccc1C#N 488317442 VNFDMVCFKTXCEC-BLLLJJGKSA-N 242.366 3.535 30 20 BHED C=C1CC(N(C(=O)OC(C)(C)C)C(C)(C)C)C1 514277719 MAZVBIVVEVUUSM-UHFFFAOYSA-N 239.359 3.741 30 20 BHED C=CCCC[C@H](C)NC(=O)CC1CCCCC1 539440565 KLBGZIFEMMQBOH-ZDUSSCGKSA-N 237.387 3.818 30 20 BHED CC(C)CC[C@H](NCC1(C#N)CC1)C(C)(C)C 539493520 UESZMIKYGAJAQB-ZDUSSCGKSA-N 236.403 3.731 30 20 BHED C=C(CC)CSCc1cccc([N+](=O)[O-])c1 540194042 WOFDQPANZIJVFY-UHFFFAOYSA-N 237.324 3.794 30 20 BHED C=CCCc1ccccc1NC(=O)C[C@H]1C[C@H]1C 564506687 RJZQADPHUYHIPU-TZMCWYRMSA-N 243.350 3.790 30 20 BHED C[C@@H](CCC#N)CN1CCc2sccc2[C@@H]1C 602434853 FPXAQPVOMCPFFP-RYUDHWBXSA-N 248.395 3.607 30 20 BHED CC[C@H](C)n1ncc(NC[C@@H](C)CCC#N)c1C 602629425 GLVHYMOPJWHXAY-RYUDHWBXSA-N 248.374 3.514 30 20 BHED C=C(CC)CN[C@H](CC)Cc1cccs1 648840259 KIEQRAGEORKISN-GFCCVEGCSA-N 223.385 3.625 30 20 BHED C[C@@H](CC(C)(C)C#N)Nc1ccccc1F 695790065 GLNJHABLTREPDL-JTQLQIEISA-N 220.291 3.566 30 20 BHED CC[C@@H]1CCCC1=NNc1c(F)cccc1F 758371304 WMKYJACARDAUJT-SECBINFHSA-N 238.281 3.943 30 20 BHED C[C@@H]1C[C@H]1C=NNc1cccc2ccccc12 758374209 CVVWPNDEGWQCGT-YPMHNXCESA-N 224.307 3.894 30 20 BHED CCC(C)(C)C(=O)O[C@H](C)c1cccc(C#N)c1 764612036 DXHOYBARCMYMGE-LLVKDONJSA-N 245.322 3.599 30 20 BHED CCCCCCCc1nc(-c2ccoc2)no1 771193196 CWOAEDYZZMCVOQ-UHFFFAOYSA-N 234.299 3.843 30 20 BHED Fc1cc(NN=C2CCCCCCC2)ccn1 781128243 SXEWSDOBTUYWKK-UHFFFAOYSA-N 235.306 3.733 30 20 BHED CC[C@H](C)NN=C1CCC(C)(C)C[C@H]1C 790191022 XPANBENAQHAPBI-MNOVXSKESA-N 210.365 3.577 30 20 BHED CCCCCCCCCN[C@H](C)c1ncc[nH]1 796678156 YSHRYCZWTZGSAO-CYBMUJFWSA-N 237.391 3.811 30 20 BHED CC1(C)CCCC[C@@H]1NN=C1CCC[C@H]2C[C@@H]12 800816790 DLEAUCSBPGVDAE-SCRDCRAPSA-N 234.387 3.721 30 20 BHED CC[C@H]1CCC1=NN[C@H](C)c1ccccc1 807967204 YMDWTIQLPLMPMA-NEPJUHHUSA-N 216.328 3.513 30 20 BHED CCCCCCCCn1ccnc1[C@@H](O)CC 810006734 ZZYKWELHTXQZRO-ZDUSSCGKSA-N 238.375 3.687 30 20 BHED C=CCC(F)(F)C(=O)N(CCCC)[C@@H](C)CC 815532405 JAAWMGODASZXLB-NSHDSACASA-N 247.329 3.625 30 20 BHED C=C(C)CON=CCCc1ccc(OC)cc1C 844618581 XAKMBLMDKVCPQO-UHFFFAOYSA-N 247.338 3.515 30 20 BHED CC[C@@H]1CCC[C@@H](Nc2cccc(CC#N)n2)C1 1321329439 VOZSGXWJXHSSCO-TZMCWYRMSA-N 243.354 3.528 30 20 BHED CC(C)(C)ON=C1CS[C@H](C(C)(C)C)C1 1327801163 UIZXOMSZQDGQFM-JTQLQIEISA-N 229.389 3.709 30 20 BHED Cc1ccccc1N[C@@H](C#N)Cc1ccccc1 37854907 DEHDKWWPCJAJGO-OAHLLOKOSA-N 236.318 3.542 30 20 BHED Cc1nc(-c2ccccc2)sc1-c1ccc(SCC#N)nn1 94195586 GLVZCYMBKYQUTI-UHFFFAOYSA-N 324.434 4.191 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H](C)CCCCC 122489587 ILFLDHJNGHLBSK-ZDUSSCGKSA-N 237.387 3.840 30 20 BHED C=CCCSCC(=O)Nc1c(C)cccc1C 151975521 NQQRNZVVYQTOMP-UHFFFAOYSA-N 249.379 3.551 30 20 BHED N#CCCCCN1CCC[C@@H]1c1ccc(F)cc1 160962000 MXWVNDSTROMJPI-OAHLLOKOSA-N 246.329 3.656 30 20 BHED C=CC[C@H](C)NCc1ccc(C2CC2)cc1 169118495 XWKYOPBKDLXLJS-LBPRGKRZSA-N 215.340 3.618 30 20 BHED C=CCCCC(=O)N1CCC[C@](C)(CCC)C1 176107359 GHGAZMGNCUKPLH-HNNXBMFYSA-N 237.387 3.772 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C)c(O)c1C 188787977 YOSODWQAYVOQBG-HNNXBMFYSA-N 247.338 3.550 30 20 BHED C#CCCCC(=O)Oc1ccc2ccccc2c1 192041580 BIVNFQPWDJLXGC-UHFFFAOYSA-N 238.286 3.549 30 20 BHED CCC[C@@H](C)CC(=O)Nc1cc(C#N)ccc1C 195277956 ILNYSZFSKSICDS-LLVKDONJSA-N 244.338 3.632 30 20 BHED O=C(/C=C\c1cccc(F)c1F)c1ccccc1 209923104 AITUXTUQJSKYHZ-KTKRTIGZSA-N 244.240 3.861 30 20 BHED CC(C)(C#N)CCCCSc1ccncc1 232524881 UQDSPUWXWOXKJQ-UHFFFAOYSA-N 234.368 3.894 30 20 BHED CCN(CCCCC(C)(C)C#N)CC(C)C 233443234 KIGAFGQLSLZZQB-UHFFFAOYSA-N 224.392 3.684 30 20 BHED CC[C@@H](C)[C@@H](C)Nc1nc(Cl)c(C#N)s1 233863778 JPAYXJZWVGNQTN-RNFRBKRXSA-N 243.763 3.515 30 20 BHED C/C(=C/Cl)CS[C@@H](C)CCC#N 308064693 XXQSQTBCSLKXPX-XZLDQRQTSA-N 203.738 3.554 30 20 BHED C=CCCN[C@@H](CC)c1cccc(C)c1 308874259 NONJLCAHOVETSQ-AWEZNQCLSA-N 203.329 3.612 30 20 BHED C=CCC(C)(C)CNc1ccncc1Cl 308950273 UQUFZDBGLVKZJZ-UHFFFAOYSA-N 224.735 3.749 30 20 BHED C=CCOc1ccc(CN[C@@H](CC)C2CC2)cc1 323805264 HOEBBLOGCQFLBH-INIZCTEOSA-N 245.366 3.530 30 20 BHED CN(CCC#N)[C@H]1CCCC[C@H]1c1ccccc1 353229996 MRSXMFAUPWCNEB-HOTGVXAUSA-N 242.366 3.558 30 20 BHED C=CCCC[C@H](C)N[C@H]1CS[C@H](C(C)C)C1 381224812 JNVIJJSIBFGPNH-MJBXVCDLSA-N 241.444 3.851 30 20 BHED C=C(C)CCN1CCC[C@@H](CC(F)(F)F)C1 420955428 WLUTXBLTJGFCNG-NSHDSACASA-N 235.293 3.617 30 20 BHED CC(C)(C)[C@H]1CC[C@@H]1NCc1ccc(C#N)s1 421873247 HGWXSOQFPGTRTC-STQMWFEESA-N 248.395 3.534 30 20 BHED C=CCCN(C)C[C@@H](OC(C)C)c1ccccc1 428498856 XOYHZJWMRZEJSN-MRXNPFEDSA-N 247.382 3.661 30 20 BHED C=CCC[C@@H](CCC)N[C@H](C)c1nccn1CC 449563562 WJXWDLBYYXFKLC-ZIAGYGMSSA-N 249.402 3.689 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@H](C(C)C)C1 474406234 FXJLTBIIKJJHDR-HNNXBMFYSA-N 249.398 3.649 30 20 BHED C=C(C)CN(CC)Cc1ccccc1SC 511131473 RBMAXQAPSPQUHR-UHFFFAOYSA-N 235.396 3.807 30 20 BHED CC(C)=CCSCc1cccc(C#N)c1F 582747685 FSAHHWWPKYTJRQ-UHFFFAOYSA-N 235.327 3.897 30 20 BHED Cc1ccccc1C(C)(C)NC[C@@H](C)CCC#N 602676609 PRRZEGJTSTUQKV-ZDUSSCGKSA-N 244.382 3.760 30 20 BHED CCC[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 611465489 KDSMZDSQKNSGOP-GHMZBOCLSA-N 234.318 3.537 30 20 BHED C=C(C)CN(CC)C(=O)C[C@@H](C)CC(C)(C)C 620445519 VDYNEDJTHZNGLC-CYBMUJFWSA-N 239.403 3.873 30 20 BHED C=C(C)CCNCc1cc2c(C)cccc2[nH]1 657479703 MQHLUIOVXQSGNU-UHFFFAOYSA-N 228.339 3.532 30 20 BHED C[C@@H]1CC[C@H](/N=C\c2ccccc2O)[C@H](C)C1 733080812 BTYSRCATBVMWHQ-OQIDHAMOSA-N 231.339 3.636 30 20 BHED CCC/C=C\C(=O)O[C@@H](C)c1cccc(C#N)c1 735210923 JBKRVIAQGZOKIZ-LRAPTIAOSA-N 243.306 3.519 30 20 BHED C=CCCOC(=O)[C@H](Cc1ccccc1)C(C)C 740264562 VHNFVNQVUWYXFF-OAHLLOKOSA-N 246.350 3.621 30 20 BHED C=C(C)COC(=O)[C@H](CC(C)C)c1ccccc1 741049567 GOHSJETYFZJTKM-OAHLLOKOSA-N 246.350 3.936 30 20 BHED Cc1ccc(F)c(NN=C[C@@H]2C[C@H]3C=C[C@H]2C3)c1 755773145 RLIRUYGNHLQFGD-AVGNSLFASA-N 244.313 3.744 30 20 BHED Cc1ccc(C(=O)/C=C/c2ccsc2)c(O)c1 757475246 IPHBUHLJMMSEQV-HWKANZROSA-N 244.315 3.658 30 20 BHED CC[C@@H]1CCCC1=NNc1cccc(C)c1 758359631 QBKQMHXGLMTEIC-GFCCVEGCSA-N 216.328 3.973 30 20 BHED c1cc2c(s1)CCCC2=NOC1CCCC1 758762317 PVGNYCGRUZVLLJ-UHFFFAOYSA-N 235.352 3.748 30 20 BHED C=CCN(C[C@@H]1C[C@@H]1c1ccccc1)C(C)C 768547068 HOIRMPPQBKWXRR-JKSUJKDBSA-N 229.367 3.687 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C=C/c1ccsc1 775924139 IGLKSHMTIPQFMF-ABZNLYFFSA-N 249.379 3.622 30 20 BHED C[C@@H]1CC(=NOCCC(F)(F)F)C[C@H](C)C1 777459863 MQSHNXNAQVRXRS-DTORHVGOSA-N 237.265 3.768 30 20 BHED C#CCCCCCC(=O)Oc1cccc(C)c1C 779727665 MHRJFCMQUJZZIE-UHFFFAOYSA-N 244.334 3.793 30 20 BHED CC[C@@H]1CCC[C@H](C=NOCc2cccnc2)C1 783856714 IYYDWKXGXORTBM-KGLIPLIRSA-N 246.354 3.800 30 20 BHED CC(=NOC1CCC1)c1nccc2ccccc12 812235450 HAVBDDBNJGRRAX-UHFFFAOYSA-N 240.306 3.528 30 20 BHED CC[C@@H]1CCCC(=NOCCC2CC2)C1 814246198 VOGDJMYUDLNVJV-LLVKDONJSA-N 209.333 3.759 30 20 BHED CON=C1CCCC[C@@H]1C1CCCCC1 814796146 VFOYJIMZHXBROA-GFCCVEGCSA-N 209.333 3.759 30 20 BHED CC1(C)CC(=NNCc2cccc(Cl)c2)C1 814867477 GFQFZCZEURNSJH-UHFFFAOYSA-N 236.746 3.606 30 20 BHED C[C@H](NN=C1CC[C@H](C)[C@H](C)C1)c1ccncc1 819815857 DNBHGBMTPIBOAZ-XQQFMLRXSA-N 245.370 3.544 30 20 BHED C[C@H](NN=C[C@H]1CCC[C@@H](C)C1)c1ccncc1 819816381 ITWGQDOIJLJLCA-RDBSUJKOSA-N 245.370 3.544 30 20 BHED Clc1cccnc1NN=C1CCCC12CCC2 834941580 HZEFEXAGIZFLAX-UHFFFAOYSA-N 249.745 3.857 30 20 BHED CC1(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)CCCCC1 839059312 OSWBYCDZVXDZNK-CHWSQXEVSA-N 249.354 3.582 30 20 BHED CCC(=NNc1ccccc1)[C@@H]1C[C@@H]1C 841604077 LUFCLXUZOLJIRB-CMPLNLGQSA-N 202.301 3.521 30 20 BHED C=CC[C@@H]1CCCN(C(=O)CCCCCC)C1 855440917 QJMSQZMTKMAVOG-CQSZACIVSA-N 237.387 3.772 30 20 BHED CCCC[C@@H](C)C(=O)O[C@H](CC#N)c1ccco1 1345981824 LJYZXUFRBJVMOE-DGCLKSJQSA-N 249.310 3.604 30 20 BHED CC[C@H]1CCCC[C@H]1NCc1ccccc1C#N 42579585 VFBJKSHNFUPLHI-XJKSGUPXSA-N 242.366 3.617 30 20 BHED CC[C@H](CC#N)N[C@@H](C)CCc1cccc(C)c1 54184002 LMAWIAISEKHFDX-GOEBONIOSA-N 244.382 3.598 30 20 BHED C[C@H]1CCN(CCCC#N)c2ccccc2S1 78525394 GZIPTQKVKYOHLW-LBPRGKRZSA-N 246.379 3.681 30 20 BHED CC1(C)CCC(NCC(C)(C)CCC#N)CC1 135193038 HAAJGCOERJTMIV-UHFFFAOYSA-N 236.403 3.875 30 20 BHED C=CCCCCCN(C)C(=O)c1cc(C)oc1C 156802514 WLNMAKSTEJLMTO-UHFFFAOYSA-N 249.354 3.715 30 20 BHED C=C(C)CN[C@H](C)c1ccccc1OC(F)F 161574879 FGAOMYIMWYUEQP-SNVBAGLBSA-N 241.281 3.515 30 20 BHED C=CCCN[C@@H]1CCCc2c1[nH]c1ccccc21 161718349 XTUKTZGVBKOJPJ-OAHLLOKOSA-N 240.350 3.711 30 20 BHED C=CCC[C@H](C(=O)N(CC)CC)c1ccccc1 189399943 OQBPPWQXJXRRHV-HNNXBMFYSA-N 245.366 3.605 30 20 BHED Cc1cccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c1C 274595331 GARRVQQRUQPECS-SOUVJXGZSA-N 242.366 3.646 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccc2c(c1)COC2 281599010 MAUWLWVBKAVUND-MLGOLLRUSA-N 245.366 3.722 30 20 BHED CC(C)(C#N)CCOc1ccc(Cl)cc1F 281848423 JGWXXOULXYSTTJ-UHFFFAOYSA-N 241.693 3.798 30 20 BHED CCCC[C@H]1CCC[C@H]1Nc1ccc(C#N)cn1 301173386 VHKVVAGJZKGNLT-UONOGXRCSA-N 243.354 3.724 30 20 BHED C=CCC1(C(=O)N2[C@H]3CCC[C@H]2CC3)CCCC1 335471553 UNCWTMOLOLTCMA-KBPBESRZSA-N 247.382 3.666 30 20 BHED CCN(CC1CCC1)[C@@H](C)c1cccc(C#N)c1 361480776 FWHJOVCHCDMGPV-ZDUSSCGKSA-N 242.366 3.741 30 20 BHED C=CCN(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 441346229 NDBUALLEAFXGKJ-JKSUJKDBSA-N 229.367 3.749 30 20 BHED C=C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@@H]1CCC 451249999 QPHMPZFVJSLETD-ZNMIVQPWSA-N 249.398 3.770 30 20 BHED C=C(C)C[C@@H](C)C(=O)N[C@@H](CC)C(C)(C)C 466416287 KMEXNRDNOAKMDZ-NEPJUHHUSA-N 225.376 3.530 30 20 BHED C=CC[C@@H]1N(C(=O)[C@@H](C)C2CC2)CCCC1(C)C 470273894 OBHKJGXFNFCZDG-JSGCOSHPSA-N 249.398 3.626 30 20 BHED C=C(CC)CN(C)Cc1ccccc1SC 471008261 PPPQEEHOWDKXDZ-UHFFFAOYSA-N 235.396 3.807 30 20 BHED C=CC[C@H](C)[C@H](C)NCc1noc2ccccc12 516490643 LMJWKJRCPICGHJ-RYUDHWBXSA-N 244.338 3.518 30 20 BHED C=CCCN(C)Cc1ccc(C(C)(C)C)cc1 525328416 VPKGOVHJYPFKAH-UHFFFAOYSA-N 231.383 3.992 30 20 BHED C=CCN(CC=C)C/C=C\c1ccc(F)cc1F 544603535 JBQSYZBIMUHBCS-WAYWQWQTSA-N 249.304 3.652 30 20 BHED N#CC[C@H]1CCCN(CCC2CCCCCC2)C1 595622801 DJKQGEOEXXTZIF-MRXNPFEDSA-N 248.414 3.973 30 20 BHED C=CC[C@H]1CCCN(C(=O)[C@]2(C)CC=CCC2)C1 617777056 HHGDDWZMTWCESQ-GOEBONIOSA-N 247.382 3.548 30 20 BHED CCC[C@H](C)N[C@H](CC)c1ccc(C#N)cc1 618561466 WPEMLBOEMWJWIK-SWLSCSKDSA-N 230.355 3.788 30 20 BHED C=CCCC(C)(C)NC[C@@H]1CC=CCC1 657805590 RKYMVDYRUGSADE-CYBMUJFWSA-N 207.361 3.677 30 20 BHED CCCCCCCCOCc1nc(CC)no1 743272578 XRPNULODOKCQPX-UHFFFAOYSA-N 240.347 3.509 30 20 BHED CCCCNN=Cc1cc2cc(C)c(C)cc2o1 749816056 WBUNAYHWCVVKGB-UHFFFAOYSA-N 244.338 3.773 30 20 BHED CC(CC1CCCC1)=NOCc1cccnc1 752734575 JBEIPKZZZQBCDU-UHFFFAOYSA-N 232.327 3.554 30 20 BHED C=CC[C@H](C)N[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21 756713895 WGXXQBUILRSSBQ-JFGNBEQYSA-N 249.329 3.634 30 20 BHED C#CCCCN[C@H]1CCCc2ccc(Cl)cc21 762475173 JKBGDYDKEINVJI-HNNXBMFYSA-N 247.769 3.720 30 20 BHED C[C@H](NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)C(C)(C)C 793113162 AOEQBDBTWFNPEF-MRTXSQPYSA-N 248.414 3.823 30 20 BHED C[C@@H](NN=C1CC[C@H]1C1CCC1)c1ccccc1 814815209 QFDYKIDMLMPABW-DOMZBBRYSA-N 242.366 3.903 30 20 BHED CC(CC(C)(C)C)=NNc1ccnc(Cl)c1 853395010 HTJXPXDDQVTQCL-UHFFFAOYSA-N 239.750 3.959 30 20 BHED C=CC(C)(C)CC(=O)Nc1ccc(C)cc1OC 878338959 FIIMPCDSDYRHSP-UHFFFAOYSA-N 247.338 3.544 30 20 BHED C=C(Cl)CN(Cc1cccs1)C(C)C 920208234 DRXULODDCHDMRB-UHFFFAOYSA-N 229.776 3.711 30 20 BHED CC(=NOC(C)(C)C)c1ccc(F)c(F)c1 1319802418 DVQBKBBGPRUBOT-UHFFFAOYSA-N 227.254 3.504 30 20 BHED CC(C)(C)ON=Cc1cc(Cl)ccc1F 1319803140 OFVFJAAYTDXWJQ-UHFFFAOYSA-N 229.682 3.628 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)C1CC2(CCC2)C1 1339032472 ADUSXHFAUQMTKJ-CQSZACIVSA-N 247.382 3.524 30 20 BHED C=CCN[C@@H](C)c1cccc(C(F)(F)F)c1 19875859 WBBULLVOWYQAPU-VIFPVBQESA-N 229.245 3.542 30 20 BHED CCCCCCC[C@@H](C)NC1CCC(O)CC1 59089855 WLKYRTPCILCBSC-WLYUNCDWSA-N 241.419 3.629 30 20 BHED CCCCCN(CCC#N)[C@@H](C)CCC 63608827 BBBZKYZAGWKCKW-ZDUSSCGKSA-N 210.365 3.581 30 20 BHED C=CCOc1cccc(NC(=O)C(CC)CC)c1 65878357 KKKHFISHUQVTFF-UHFFFAOYSA-N 247.338 3.626 30 20 BHED C=C(C)CNCc1ccc(Cl)c2cccnc12 122516145 GXKXFKXNAWCRAP-UHFFFAOYSA-N 246.741 3.554 30 20 BHED CC[C@@H]1CC[C@@H](C)N1c1ccc(C#N)c(Cl)c1 124484342 XYSBMVLMFXRTAH-ZYHUDNBSSA-N 248.757 3.979 30 20 BHED N#Cc1ccc(CNc2cccc(C(F)F)c2)o1 128476486 OQKUHVTWJQKRMD-UHFFFAOYSA-N 248.232 3.701 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1cc(F)c(F)c(F)c1 180953010 KZKFRGRPOUZMGU-BDAKNGLRSA-N 243.272 3.719 30 20 BHED C#CCCCN[C@@H]1CCCC[C@@H]1C(C)(C)C 224307546 OYEZOVSDZWTDPC-UONOGXRCSA-N 221.388 3.594 30 20 BHED CC[C@@H]1CCCCN1CCCCC(C)(C)C#N 233907479 DVNALPMFLFFUEG-CQSZACIVSA-N 236.403 3.971 30 20 BHED CC(C)N(CCCC(C)(C)C#N)Cc1ccco1 266926126 QZOOPENFGCBTFM-UHFFFAOYSA-N 248.370 3.820 30 20 BHED C=CCC[C@@H](C)NC[C@@H](SC)C(C)(C)C 309081249 PXOQWMSLJNHTKO-VXGBXAGGSA-N 229.433 3.708 30 20 BHED C=C(C)CCN[C@H](C)c1csc(C(C)C)n1 309321412 FHEDWVADGQQMRQ-LLVKDONJSA-N 238.400 3.883 30 20 BHED CC(C)[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 341761241 OXMCDQLGLANDFU-LRDDRELGSA-N 242.366 3.570 30 20 BHED C=CCCCSCc1nc2ccccc2[nH]1 344551552 FZVBEEZCLRYCOB-UHFFFAOYSA-N 232.352 3.762 30 20 BHED CC[C@@H]1CC[C@@H]1N[C@@H](CCC#N)c1ccccc1 348414400 ROCXZUQSMMOFAH-KBMXLJTQSA-N 242.366 3.810 30 20 BHED C=C[C@H](C)N[C@@H]1CC2(CCC2)Oc2ccccc21 358317653 LDYUWIMGGCBSMI-GXTWGEPZSA-N 243.350 3.597 30 20 BHED N#CCCS[C@@H]1CCCc2ccc(F)cc21 413009808 DPDVGBINNFUTRV-CYBMUJFWSA-N 235.327 3.850 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccc(OC)cc1C 414105770 WSSFVWMHRVSIIF-CHWSQXEVSA-N 233.355 3.619 30 20 BHED CCCc1ccc(OCC2(C#N)CCC2)cc1 418902098 PKGOMWIVZXOJFN-UHFFFAOYSA-N 229.323 3.712 30 20 BHED N#CC1(CSCCc2ccccc2F)CCC1 419586056 QUWSECIJXRMCFE-UHFFFAOYSA-N 249.354 3.795 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1cc(C)c(O)c(C)c1 424771509 KOIAMMCOFKUSEB-UHFFFAOYSA-N 247.338 3.550 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 424786665 UBAAZVWAHFOHAJ-RWMBFGLXSA-N 237.387 3.530 30 20 BHED C=C(C)C(C)(C)C(=O)N1CC2(CCC2)[C@H]1C(C)C 424835049 QXCYBQIMIYSBQO-CYBMUJFWSA-N 249.398 3.626 30 20 BHED CC(C)[C@H](NCC1(CC#N)CC1)c1ccccc1 430738477 ZEVMYDVSYJNNCJ-HNNXBMFYSA-N 242.366 3.667 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@@]1(CC)C(C)C 457244470 UMZUZFKOIVQKPQ-DOMZBBRYSA-N 237.387 3.530 30 20 BHED CC#CCCN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 462322857 QZLHVTUNMBSRTP-XJKSGUPXSA-N 245.341 3.622 30 20 BHED CCCC[C@H](CC)CN[C@H]1CCC[C@@H](C#N)C1 463285059 SRJZQZMEYYTLBM-ZNMIVQPWSA-N 236.403 3.875 30 20 BHED C=CCCCCNC(=O)C[C@@H](C)C(C)(C)C 471666442 GTIOCWFKISEGDC-GFCCVEGCSA-N 225.376 3.531 30 20 BHED C=C(C)CN(CC)C(=O)C[C@H]1CCC[C@H](C)C1 497475060 WINPNSLBNWEFIJ-KBPBESRZSA-N 237.387 3.627 30 20 BHED C=CCN(Cc1ccc(OC)cc1)[C@H](C)CCC 561821880 NWZJVCHDYWGMHE-CQSZACIVSA-N 247.382 3.872 30 20 BHED C=CCC1(NCc2cncc(C)c2)CCCCC1 625934224 FOSITHGQWJHDBF-UHFFFAOYSA-N 244.382 3.759 30 20 BHED C=CC[C@H](C)NCc1cc2c(C)cccc2[nH]1 657364328 XFOFMHAASBCNQK-LBPRGKRZSA-N 228.339 3.531 30 20 BHED C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)C1CC1 657530697 RFNYNZBCSOYULK-IACUBPJLSA-N 207.361 3.509 30 20 BHED C=CCC[C@H](CC)N[C@@H](C)c1cnccc1C 678425862 DABDIRVRWZIDPD-KBPBESRZSA-N 232.371 3.785 30 20 BHED CC1CC(/N=C/c2c(O)ccc3ccccc23)C1 751889731 CFVDEYUIFMQJSU-LICLKQGHSA-N 239.318 3.763 30 20 BHED C=CCCN(C)C(=O)[C@H](CCCCC)C(C)C 786223851 SNMFJHPKOYFILE-CQSZACIVSA-N 239.403 3.873 30 20 BHED C[C@H](NN=C1CCC(C(F)F)CC1)C(C)(C)C 793111466 HYRMLGPRQRLOHY-RGURZIINSA-N 246.345 3.822 30 20 BHED C[C@H](NN=C/C=C\c1ccccc1)C(C)(C)C 793113881 HPBHRVKWNLDKDK-XPURRVSYSA-N 230.355 3.710 30 20 BHED CC[C@@H](C)CON=C(C)c1ccc(Cl)cn1 793159093 KTWKXOUREHDUSP-SECBINFHSA-N 240.734 3.522 30 20 BHED CC[C@H](C)C(C)=NNc1cccc(Cl)n1 793163342 IZIPICZGTGCQDE-QMMMGPOBSA-N 225.723 3.569 30 20 BHED CC1(C)CCC[C@@H](C=NNc2ncccc2F)C1 794980867 QOLZSCDUXZUMJK-LLVKDONJSA-N 249.333 3.835 30 20 BHED CON(CC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 796472399 YDYJXIDDORAVFJ-GFCCVEGCSA-N 246.354 3.529 30 20 BHED CC(C)[C@H]1CCCC(=NOCC2CC2)C1 814243263 NWTXKHYWNOHHED-LBPRGKRZSA-N 209.333 3.615 30 20 BHED C1C[C@H]2[C@@H]3C[C@H](CC3=NOCCC3CC3)[C@H]2C1 814245832 JPZIJNLTTPPJLG-SYQHCUMBSA-N 233.355 3.615 30 20 BHED CCCON=C[C@@H](OC(C)C)c1ccccc1 842551646 SSYGILFDQADTOE-CQSZACIVSA-N 235.327 3.565 30 20 BHED C=C[C@@H](C)ON=C(C)CCc1ccccc1F 844626072 XEBRODLBXDDMCN-GFCCVEGCSA-N 235.302 3.725 30 20 BHED C=C[C@H](OC(=O)[C@@H](C)C1CC1)c1ccccc1 851452666 VPTKWHNVGNIOJB-FZMZJTMJSA-N 230.307 3.503 30 20 BHED C=CC[C@H]1CCCCC1=NO[C@@H]1CCCCO1 853325764 OYKPVDHBRHYWBO-GXTWGEPZSA-N 237.343 3.652 30 20 BHED C=C(CC)CSCCC1SCCS1 853771503 ZWDINSYAMFNTJF-UHFFFAOYSA-N 234.455 3.882 30 20 BHED CC[C@@H](NCC1(C#N)CCC1)c1ccc(F)cc1 903032459 UFJPYOUILQHAFI-CQSZACIVSA-N 246.329 3.560 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1ccc(C)cc1OC 930280740 CCWSBLVFJDJKIV-LBPRGKRZSA-N 247.338 3.544 30 20 BHED Cc1ccnc(SCc2ccccc2C#N)c1 1166798803 ILWFOBYKIKZTHQ-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=C(Cl)CN1CCC[C@H]1/C=C/c1ccccc1 1198270480 LKHPUVFBKJRQOO-FEAKQIBJSA-N 247.769 3.917 30 20 BHED C=C(C)CCC(=O)N[C@@H](C)CCC=C(C)C 1338838603 SDEPQLMKDMQRQM-ZDUSSCGKSA-N 223.360 3.594 30 20 BHED C=C(C)CCC(=O)NCC[C@H](C)c1ccccc1 1349547147 ROHZUICJDHIALL-AWEZNQCLSA-N 245.366 3.653 30 20 BHED CCc1csc(Oc2cccc(F)c2C#N)n1 1651654513 HYJIIVHLSUPGKE-UHFFFAOYSA-N 248.282 3.509 30 20 BHED C[C@@H]1CCC[C@@H](C)N1Cc1ccc(CC#N)cc1 34722409 IANFTYXYXIWKJT-ZIAGYGMSSA-N 242.366 3.516 30 20 BHED Cc1ccsc1CNc1ccc(CC#N)cc1 37071303 MXCIWOBEAZINOD-UHFFFAOYSA-N 242.347 3.735 30 20 BHED Cc1c(F)cccc1NCc1ccccc1C#N 43321149 VWFOGMBXPNJSEO-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CC(C)(CCC#N)CN1CCC[C@@H]2CCC[C@@H]21 92485946 IKWKXUALECGGAK-KBPBESRZSA-N 234.387 3.581 30 20 BHED Cc1cc(C)cc(CSCCCC#N)c1 94718372 IQBKPCCYOKUZOK-UHFFFAOYSA-N 219.353 3.840 30 20 BHED C=CCC(CC=C)C(=O)Nc1ccccc1C 120864901 DSQWWZZIZSNARU-UHFFFAOYSA-N 229.323 3.702 30 20 BHED C[C@H]1CCC[C@@H](C)N(Cc2ccc(C#N)s2)C1 128196639 MIFVPRFMXQFTOC-NWDGAFQWSA-N 248.395 3.630 30 20 BHED C=CC[C@H](C)NCc1cc(F)cc(Cl)c1 168270767 IPGVWRAWELYEQU-VIFPVBQESA-N 227.710 3.533 30 20 BHED CCCN(CCCC#N)c1ccc(Cl)cc1 303476752 OYIPOXYMVFKITF-UHFFFAOYSA-N 236.746 3.860 30 20 BHED C#CCCCCN[C@@H]1C[C@H](C)c2ccccc21 310166315 JWSHEFDKHMCRKZ-XJKSGUPXSA-N 227.351 3.628 30 20 BHED C=CCCCCN[C@H](C)CCc1ccc(O)cc1 310919588 QZUIBKCQEYNPJO-CQSZACIVSA-N 247.382 3.659 30 20 BHED CCC[C@@H](N[C@H](CC)CC#N)C1CCCC1 313395400 HMXWPHFRGBNJMR-ZIAGYGMSSA-N 222.376 3.627 30 20 BHED C=CCCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 352246861 JWCZSWJYYHFHJG-WFASDCNBSA-N 245.366 3.944 30 20 BHED C=CCCCN[C@@H](C)[C@@H]1CC2CCC1CC2 382074024 HJUYUAKATYPQGR-PPWQZUPISA-N 221.388 3.757 30 20 BHED C=CCC(C)(C)CNC/C=C/c1ccccc1 384067521 UPGOCCMSPMWYGX-DHZHZOJOSA-N 229.367 3.892 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H](CC)C1CCCC1 411060493 HIOHCTHQVNVHPE-DZGCQCFKSA-N 237.387 3.674 30 20 BHED CC(C)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 424190745 GHYOVYPUKXISEG-GOEBONIOSA-N 242.366 3.592 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccc(C)cc1F 424564268 PBCXZIBSQFXOIN-UHFFFAOYSA-N 235.302 3.675 30 20 BHED C[C@@H]1CC[C@@H](C)N1CC#Cc1cccc(Cl)c1 438529976 FHQDJHWBFVKKCG-CHWSQXEVSA-N 247.769 3.564 30 20 BHED CC(C)CSCC#Cc1ccc(F)cc1 464075026 CBMGAXAYCBUUNJ-UHFFFAOYSA-N 222.328 3.566 30 20 BHED C=C[C@H]1CCCCN1c1nc2cc(F)ccc2o1 486481166 SHWLWNFTYJCJNL-NSHDSACASA-N 246.285 3.512 30 20 BHED C=CCS[C@H](C)c1ccc(F)c(F)c1 522961371 QTNZMYODSFFVPG-MRVPVSSYSA-N 214.280 3.945 30 20 BHED C=CCCN1CCC[C@@H](c2ccc(F)cc2)CC1 540890115 RCCJGMYKAGAWOP-CQSZACIVSA-N 247.357 3.971 30 20 BHED C=C(C)C[C@H](C)c1nc(CCC(C)C)no1 581216678 WETYMTPTPKPTEJ-NSHDSACASA-N 222.332 3.728 30 20 BHED CCC(C)(CC)C(=O)Nc1cc(C)cc(C#N)c1 590888047 RUGJELHQLPSIIE-UHFFFAOYSA-N 244.338 3.632 30 20 BHED C=CCCCCCSCc1cc(C)n(C)n1 618659962 LOMGLJKLOSXBCA-UHFFFAOYSA-N 238.400 3.708 30 20 BHED C=C(C)CCc1noc(/C=C(\C)c2ccco2)n1 664877296 RDJCCUATICTRHR-PKNBQFBNSA-N 244.294 3.732 30 20 BHED C=CCOC(=O)C1CCC(c2ccccc2)CC1 744042625 WVVFLQATIRIVID-UHFFFAOYSA-N 244.334 3.690 30 20 BHED C=CCCCC(=O)Oc1ccc(CC)cc1 748664992 SWSGLXKYGPSBHN-UHFFFAOYSA-N 218.296 3.511 30 20 BHED C=CCN(C(=O)[C@H](C)CCC(C)(C)C)C(C)C 754093097 FJINPXGZQAQIKF-CYBMUJFWSA-N 239.403 3.872 30 20 BHED C#C[C@@H](CC)NC(=O)[C@H](CC)CCCCCC 754390823 UQPGHWSMNJEZPI-KGLIPLIRSA-N 237.387 3.511 30 20 BHED CC(=NO[C@@H]1CCCCO1)c1cc(C)ccc1C 755817346 KGXBFZDTECQHGL-OAHLLOKOSA-N 247.338 3.571 30 20 BHED CC(C)CC(CC(C)C)=NO[C@H]1CCCCO1 755824775 SCNINDZBHKOYNZ-AWEZNQCLSA-N 241.375 3.978 30 20 BHED C#CCOc1ccc([C@@H](C)N[C@H](C)CCC)cc1 764435439 NDYMATOMAGXMRM-ZIAGYGMSSA-N 245.366 3.538 30 20 BHED CON=Cc1ccc(Oc2cccc(F)c2)cc1 766434090 KSVZUOWTYJMGSK-UHFFFAOYSA-N 245.253 3.598 30 20 BHED CC(=NOC1CCCC1)c1ccc(C)cc1C 774606992 CFWQGHODNMKVFD-UHFFFAOYSA-N 231.339 3.987 30 20 BHED CC[C@H](C)NN=C(C)c1coc2ccccc12 790188928 IYYIUNDGNPZKFM-JTQLQIEISA-N 230.311 3.545 30 20 BHED CC[C@@H](C)CON=C1CCCNc2ccccc21 793159296 MPHQBLXHSJAXGI-GFCCVEGCSA-N 246.354 3.659 30 20 BHED CC(CCCC(F)(F)F)=NOC1CCC1 812235673 MZRDGNSLWKXVBP-UHFFFAOYSA-N 223.238 3.664 30 20 BHED Cc1cc(C)cc(NN=C2CCS[C@@H]2C)c1 814753777 ZLVGZMUZYVELMO-LLVKDONJSA-N 234.368 3.597 30 20 BHED CCOc1ccc(S[C@@H](C)CCC#N)cc1 840118565 FOOQQNYELJZAPC-NSHDSACASA-N 235.352 3.870 30 20 BHED CCC(=NNc1ccc(OC)cc1)[C@@H]1C[C@H]1C 841634538 YUQICEVUOHZQLN-ZWNOBZJWSA-N 232.327 3.529 30 20 BHED C#CCCc1noc([C@H](CC)CC2CCCC2)n1 842490913 CVXZDKLLCJGTME-CYBMUJFWSA-N 246.354 3.709 30 20 BHED C=C(C)CON=CCCCCOc1ccccc1 844618772 HCIHHZSNFAMKPJ-UHFFFAOYSA-N 247.338 3.814 30 20 BHED CC[C@@H](NC[C@@H]1C=CCC1)c1cccc(C#N)c1 903087940 ODWHJRXAJAAVSQ-CZUORRHYSA-N 240.350 3.565 30 20 BHED C=CCN(C(=O)c1ccc(C(C)C)cc1)C(C)C 914683055 CTGJWFLSWGGKEJ-UHFFFAOYSA-N 245.366 3.847 30 20 BHED Fc1ccc(NN=C/C=C/c2ccco2)c(F)c1 920355472 CDIPXJAKQKNYMY-SIISZUACSA-N 248.232 3.669 30 20 BHED C[C@H](Nc1ccc(C#N)cc1)C1CCCCC1 37212115 CGSMTMCZGQLUFP-LBPRGKRZSA-N 228.339 3.939 30 20 BHED C=CCOc1ccccc1CN[C@H](C)[C@H](C)CC 42553766 IZIUEWYCJQANGX-ZIAGYGMSSA-N 247.382 3.776 30 20 BHED N#Cc1c(Cl)cccc1NCc1ccsc1 58000581 PYVHANOXNKDHCG-UHFFFAOYSA-N 248.738 3.885 30 20 BHED N#Cc1c(F)cccc1NCCC1=CCCCC1 60991702 CXOGYFYCIRQJCE-UHFFFAOYSA-N 244.313 4.000 30 20 BHED O=C(/C=C/c1cccc(F)c1F)c1ccccc1 78560754 AITUXTUQJSKYHZ-MDZDMXLPSA-N 244.240 3.861 30 20 BHED N#Cc1cccc(Sc2ccccc2Cl)n1 81622138 YBKKBYLKEIDOLK-UHFFFAOYSA-N 246.722 3.758 30 20 BHED CC(C)(C#N)CCNc1ccc(Cl)cc1 83637840 FEAKAPLIZFQBEW-UHFFFAOYSA-N 222.719 3.692 30 20 BHED CC(C)(CCC#N)CN1CCC2(CCCC2)CC1 93085457 MRXZSYRMEYPADW-UHFFFAOYSA-N 248.414 3.973 30 20 BHED N#Cc1csc(CNCCC2CCCCC2)c1 93492254 FNYZRYWNIUEOBR-UHFFFAOYSA-N 248.395 3.680 30 20 BHED C=CCCCCCN(C)C(=O)C(C1CC1)C1CC1 124915321 SOLCBFBNUAIPQZ-UHFFFAOYSA-N 249.398 3.627 30 20 BHED SCc1ccc(Cl)cc1Br 126951833 FIAUVEWIJXLARV-UHFFFAOYSA-N 237.549 3.532 30 20 BHED CC[C@@H](C#N)Sc1ccc2ccccc2n1 127045298 KVPGHVYQEVOUFN-NSHDSACASA-N 228.320 3.629 30 20 BHED Cc1ccc(NCC(C)(C)CCC#N)c(F)c1 128130284 BSPDLAROBDIWHJ-UHFFFAOYSA-N 234.318 3.876 30 20 BHED C=CCC[C@H](CC)N[C@H]1CCc2c(O)cccc21 130562613 RDTYXGSMRZOLAI-WFASDCNBSA-N 245.366 3.714 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cccc(Cl)c1 157255742 DJRWIBLGJQINKU-NXEZZACHSA-N 209.720 3.565 30 20 BHED C#CCCCSc1ccc(Cl)cc1 161021458 UJFSNFJHBAVBSW-UHFFFAOYSA-N 210.729 3.846 30 20 BHED CCCC[C@@H](C)Nc1ccccc1O[C@H](C)C#N 162265195 UVBPVYHMEUHEMV-CHWSQXEVSA-N 246.354 3.968 30 20 BHED N#CCC[C@H](Nc1ccccn1)c1ccccc1 164338363 IQSZIJFJKHCWKV-AWEZNQCLSA-N 237.306 3.539 30 20 BHED C=CC[C@H](C)NC(=O)C[C@H](C)CCCCC 173537517 QGRUMBGDZUANCS-OLZOCXBDSA-N 225.376 3.674 30 20 BHED C=C(C)CN(C)C(=O)Nc1ccccc1CCC 181547551 RIDHECAGQRFAKM-UHFFFAOYSA-N 246.354 3.679 30 20 BHED C[C@@H](NCC#N)c1ccc(Cl)c2ccccc12 185390641 OYZOELVPQKHWPM-SNVBAGLBSA-N 244.725 3.667 30 20 BHED CCC[C@H]1CCCCN1Cc1ccccc1C#N 213415237 DJJSVCPBWZYZKD-INIZCTEOSA-N 242.366 3.713 30 20 BHED N#C[C@@H]1CC[C@H](Sc2nc3ccccc3o2)C1 278537242 JHRFMXASTLDJQD-ZJUUUORDSA-N 244.319 3.612 30 20 BHED CSc1ccccc1CN(C)CCCCC#N 280511916 RJVLNPHCFPSXHK-UHFFFAOYSA-N 248.395 3.534 30 20 BHED C=CCCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1 286372416 FFCUHOSNPPMXRB-DZGCQCFKSA-N 243.350 3.562 30 20 BHED C[C@H](CCC1CC1)Nc1ccc(F)cc1C#N 302207266 AFSRTQBWDNUIAI-SNVBAGLBSA-N 232.302 3.688 30 20 BHED C#CCNc1cccc(CSC(C)C)c1C 309407359 XIZYCHMBZHFIOS-UHFFFAOYSA-N 233.380 3.682 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccccc1F 310014557 KINKPHZJAWCFGJ-NEPJUHHUSA-N 221.319 3.831 30 20 BHED CCN(CC(C)(C)C)c1cccc(F)c1C#N 310476387 BWAGOJUWPUKKFT-UHFFFAOYSA-N 234.318 3.570 30 20 BHED C[C@H](Sc1ccccc1C#N)c1cccnc1 335734741 GOEZUNDLXJTEPC-NSHDSACASA-N 240.331 3.807 30 20 BHED N#CCCCNc1ccnc2cc(Cl)ccc12 343598680 ODMAIXRZYKZRHU-UHFFFAOYSA-N 245.713 3.604 30 20 BHED N#CC1(COc2cccc(Cl)c2Cl)CC1 347024681 VUSUOMBRIDGNNC-UHFFFAOYSA-N 242.105 3.676 30 20 BHED C=C(C)CCN[C@H](C)c1sccc1C 386829956 HQFKSUYIMPBXOS-LLVKDONJSA-N 209.358 3.673 30 20 BHED C=CC[C@@H](CC)N[C@H]1CCc2cc(F)ccc21 393770088 SFCYJXDWUXUIPR-HIFRSBDPSA-N 233.330 3.757 30 20 BHED CC[C@H](C)CN(CC)Cc1ccc(C#N)c(F)c1 403991547 DWOJBQUKDKHKKB-LBPRGKRZSA-N 248.345 3.565 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc(OC)cc1Cl 424281336 ILPFZHNTQBVKCO-VHSXEESVSA-N 239.746 3.574 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc2c(c1)CCC2 429907184 BTDRMZZGGGLEMT-UHFFFAOYSA-N 243.350 3.716 30 20 BHED CC1CCC(CNC2CCC(C)(C#N)CC2)CC1 449095098 WEXVOOMSNGXXEU-UHFFFAOYSA-N 248.414 3.875 30 20 BHED C=CCC1(CNCc2ccco2)CCCC1 449606428 QRQPSFNAXJDMRU-UHFFFAOYSA-N 219.328 3.506 30 20 BHED CC[C@@H](NC[C@@H]1C[C@H]1CC)c1ccc(C#N)cc1 453308737 NVZCGLOOCCUPFO-VNQPRFMTSA-N 242.366 3.645 30 20 BHED C=CCCCNc1c(OC)ccc2c1CCC2 479458398 XHMDGHUDMODCNQ-UHFFFAOYSA-N 231.339 3.562 30 20 BHED C=CCN(C1CCC(CC)CC1)C1CC1 515502637 DLZJBAPXLVJKLA-UHFFFAOYSA-N 207.361 3.606 30 20 BHED C=C(C)CN(CC)C[C@H](C)c1ccc(OC)cc1 538308555 XIPAOMVXBIADII-AWEZNQCLSA-N 247.382 3.697 30 20 BHED C[C@H](CCC#N)CN[C@@H](c1ccccc1)C1CC1 602503817 RRINWHRIFCPZOZ-CJNGLKHVSA-N 242.366 3.667 30 20 BHED CCC[C@H](NC[C@@H](C)CCC#N)C1CCCC1 602687377 LEXQBBDCLYCDGF-ZFWWWQNUSA-N 236.403 3.875 30 20 BHED C=C1CCN(C(=O)C[C@H](CC)CCCC)CC1 604976589 KUBCSHZXNJSURT-CQSZACIVSA-N 237.387 3.772 30 20 BHED C=CCCC(C)(C)NC(=O)C[C@H]1CCC[C@H]1C 620857740 IEKVQGASABSDGF-CHWSQXEVSA-N 237.387 3.674 30 20 BHED C=CCC[C@@H](C)NCC(C)(C)c1ccc(C)cn1 624111788 FHBKRBDORWTJTA-CQSZACIVSA-N 246.398 3.612 30 20 BHED CCCCCCCn1ccnc1C1CC1 704156100 OCSXXFNIOZOUOF-UHFFFAOYSA-N 206.333 3.731 30 20 BHED C1CCC(NN=C2CC[C@H]3CCCC[C@H]3C2)C1 727651878 CRGLAGIHFORPEF-OLZOCXBDSA-N 234.387 3.865 30 20 BHED C=C1CCN(C(=O)C[C@H](C)CCCCC)CC1 742641254 DPHVVNUYOZFBAG-CQSZACIVSA-N 237.387 3.772 30 20 BHED C=C(Cl)CN(CC(C)C)C1CCCC1 746657307 FAWQYGRGGCIQAC-UHFFFAOYSA-N 215.768 3.640 30 20 BHED C[C@@H]1C[C@H]1C=NNc1cccc2c1CCCC2 758372706 QXFZFYVZBMCKTM-YPMHNXCESA-N 228.339 3.619 30 20 BHED C=CCCCCCC(C)=NOCC(F)F 789051043 PULVBTRHMZIBDG-UHFFFAOYSA-N 219.275 3.781 30 20 BHED CC[C@H](C)CON=C(C)CSC(C)(C)C 793163127 GBPLVUFZHMGYLJ-JTQLQIEISA-N 231.405 3.957 30 20 BHED CC1(C)CCC[C@H]1OC(=O)C1(C#N)CCCCC1 799479112 JJGBQCPICDYARV-GFCCVEGCSA-N 249.354 3.582 30 20 BHED C[C@H](CC=NOC/C=C\Cl)c1ccccc1 811668572 HSJATKMSHRHJDV-SERPDXJRSA-N 237.730 3.935 30 20 BHED Fc1ccc(/C=C\C=NOC2CCC2)c(F)c1 812235358 DNALIHHDVMKXLF-OPRRYBFASA-N 237.249 3.533 30 20 BHED CCCCNN=C1CCC(=C2CCC2)CC1 853291129 YEWAFJYBHMVAIQ-UHFFFAOYSA-N 220.360 3.787 30 20 BHED C#CC1CCC(=NOCc2ccc(F)cc2)CC1 853333344 IIYOOQSLPVEHHF-UHFFFAOYSA-N 245.297 3.522 30 20 BHED CC(C)(C=NOCC1CCC1)Oc1ccccc1 853440859 NDXMSQPEPXRPFB-UHFFFAOYSA-N 247.338 3.647 30 20 BHED C=CC(C)(C)CC(=O)Nc1cscc1C 879255073 ZJCHCAHQALNWJJ-UHFFFAOYSA-N 223.341 3.597 30 20 BHED C=C1CCC(C(=O)O[C@H](C)CC(C)(C)C#N)CC1 893178314 OZEWJFIXCBXRJT-GFCCVEGCSA-N 249.354 3.604 30 20 BHED CCOc1cccc(/C=N\CCCC(C)C)c1O 914558313 SSGITNJCMNBHAF-WJDWOHSUSA-N 249.354 3.646 30 20 BHED C=C(Cl)CN1CCC(CC)(CC)CC1 1169430992 PQIIRGVGBJNOBX-UHFFFAOYSA-N 215.768 3.641 30 20 BHED C[C@H]1CC(CCN2CCC[C@@H](C#N)C2)C[C@H](C)C1 1197621810 LAIZHNSRMNZKIT-FMKPAKJESA-N 248.414 3.684 30 20 BHED C[C@H]1CCC[C@H](Nc2cccc(CC#N)n2)CC1 1320625756 VUCXOYLMLASFGB-STQMWFEESA-N 243.354 3.528 30 20 BHED Cc1ccc(NN=Cc2cccn2C2CC2)cc1 1344436770 AQMBYYRFMUAJCW-UHFFFAOYSA-N 239.322 3.577 30 20 BHED C=CCC[C@@H](CCC)Nc1cccc(C(=O)O)c1 1588778256 ZERNFONCPWSWBR-CYBMUJFWSA-N 247.338 3.932 30 20 BHED CCCCCCCCC(=O)NCC(C)C 2170200 GEKFTFHVKDWNGW-UHFFFAOYSA-N 213.365 3.509 30 20 BHED CC[C@@H]1CCC[C@@H](Nc2nc(C)ccc2C#N)C1 85066009 KJOWAYNUWGCINP-TZMCWYRMSA-N 243.354 3.642 30 20 BHED C=C(C)COCCN[C@H](C)c1ccc(C)c(C)c1 90451129 XLQMEGAJHDVFGM-OAHLLOKOSA-N 247.382 3.547 30 20 BHED C[C@H]1CCN(CCCC(C)(C)C#N)C[C@H](C)C1 127287384 MEVOFMJQMSFWSB-UONOGXRCSA-N 236.403 3.684 30 20 BHED CCCCCCCC(=O)NC1(C)CCCC1 139292472 IWYXMPDEXARNMU-UHFFFAOYSA-N 225.376 3.796 30 20 BHED C=CCCCC(=O)Nc1cccc(C(=O)CC)c1 178363277 XTGLOEKWERFCDR-UHFFFAOYSA-N 245.322 3.574 30 20 BHED CSc1ccccc1N[C@H]1CCC[C@H](C#N)C1 185735752 SHJOJFVTRIEETC-RYUDHWBXSA-N 246.379 3.903 30 20 BHED N#C[C@@H]1CCC[C@H](NCCCC2CCCC2)C1 185752396 KGQDLKSCDNKWHY-CABCVRRESA-N 234.387 3.629 30 20 BHED C=C(C)COC(=O)CCCCc1ccc(C)cc1 195736630 MQUAZHCKMOTBJC-UHFFFAOYSA-N 246.350 3.827 30 20 BHED C[C@H](CNc1cc(F)cc(C#N)c1)C(C)(C)C 227627529 LRWPUIPBFQAAKH-SNVBAGLBSA-N 234.318 3.791 30 20 BHED Cc1cccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)c1C 274594144 GARRVQQRUQPECS-KKUMJFAQSA-N 242.366 3.646 30 20 BHED C=CC(C)(C)C(=O)N(C)c1ccc(SC)cc1 294924983 KXHWMZMUSLRXIV-UHFFFAOYSA-N 249.379 3.584 30 20 BHED C=CCC(C)(C)CN[C@H](C)C1CCCC1 310460742 FEPDAWYJENHLMK-GFCCVEGCSA-N 209.377 3.757 30 20 BHED CC[C@@H](NCC1(C#N)CC1)c1ccc(Cl)cc1 343565843 RHWMVJZVADWVSO-CYBMUJFWSA-N 248.757 3.684 30 20 BHED C=CCCCC[C@H](C)N[C@H]1CCS[C@H]1C 380138017 UZJKKSXDXUMQKY-AVGNSLFASA-N 227.417 3.605 30 20 BHED CC(C)(C#N)CCCN1CC(C)(C)[C@H]2CCC[C@H]21 386090298 PAUCNVFKDFQYIH-UONOGXRCSA-N 248.414 3.827 30 20 BHED C/C(=C\Cl)CSCCCCC#N 388493461 IMYNSDWIEXOWRW-VQHVLOKHSA-N 203.738 3.556 30 20 BHED C=C(CN[C@H]1CCC[C@@H]1CC)c1ccccc1 388586384 IJIUJGHLDFBFEM-HOCLYGCPSA-N 229.367 3.868 30 20 BHED C=CC[C@H](C)[C@H](C)NC[C@H](SC)C(C)(C)C 390658472 ROJWULFPFOMNOM-AVGNSLFASA-N 243.460 3.954 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@@]1(CC)C(C)C 424887404 FTUFGXULMSKEFC-DOMZBBRYSA-N 237.387 3.530 30 20 BHED C=CC[C@H](C)[C@H](C)NC[C@@H]1CCCC1(F)F 449493043 KMLWARIMXOFMEG-SRVKXCTJSA-N 231.330 3.612 30 20 BHED C=CCC1(CNCc2c(C)noc2C)CCCC1 449607211 WTFVXHKOGGHMQD-UHFFFAOYSA-N 248.370 3.518 30 20 BHED C=C(CC)CN[C@H]1CCC[C@H](c2cccnc2)C1 449736286 UXFIUINLIYPAJP-HOCLYGCPSA-N 244.382 3.664 30 20 BHED CC(C)CCCS[C@H]1CC[C@@H](C#N)C1 450909830 VECMYJQKWWEJJB-NEPJUHHUSA-N 211.374 3.848 30 20 BHED CC(C)[C@H](CN(C)C[C@H](C)C#N)c1ccccc1 474156158 FKKQOYXYQXCBPZ-ZBFHGGJFSA-N 244.382 3.518 30 20 BHED C=CCCCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 479517613 PNLGHAVHBDJDDL-SOUVJXGZSA-N 249.398 3.818 30 20 BHED Cc1cc(SC[C@H]2CC[C@@H](C)O2)ccc1C#N 572720833 CXNINSCLCHTCPQ-DGCLKSJQSA-N 247.363 3.526 30 20 BHED C=C(C)CN=c1[nH]c(-c2ccccc2)c(C)s1 589631574 CKUBKBBEZIDNFE-UHFFFAOYSA-N 244.363 3.528 30 20 BHED N#C[C@H](Sc1ccccc1Cl)C1CC1 601071236 YJDWGDHJUQSIBL-NSHDSACASA-N 223.728 3.734 30 20 BHED C=CCCN[C@H]1CC[C@H](Cc2ccccc2)C1 657583819 QVDKGNCXEGPRDE-CVEARBPZSA-N 229.367 3.564 30 20 BHED Cc1cccc(C=NNc2ccccc2)c1C 731150180 GDJOPMXBDKEFTE-UHFFFAOYSA-N 224.307 3.749 30 20 BHED CCC[C@H](C)C(CC)=NNc1cc(C)nc(C)n1 748248402 FOWOMLVJZGWYNQ-JTQLQIEISA-N 248.374 3.708 30 20 BHED C=C(Cl)CNCc1ccc(-c2ccccc2)o1 763433290 QCOWRRRNPOPLBN-UHFFFAOYSA-N 247.725 3.789 30 20 BHED C=C(C)CCN(CCc1ccccc1)C1CC1 775587257 VHXFCUXUWJDKAD-UHFFFAOYSA-N 229.367 3.660 30 20 BHED C#CCCCN1C[C@H](c2ccc(C)cc2)C[C@H]1C 786124931 KBAXNBDQIKTILL-NVXWUHKLSA-N 241.378 3.586 30 20 BHED C#CCC1(C(=O)N[C@H](C)[C@H](C)CC)CCCCC1 788436813 OHIUWSWFCQXZEX-ZIAGYGMSSA-N 249.398 3.511 30 20 BHED CC1(C)CCC1=NNc1cccc(Cl)c1 788950821 KKOSLJDBMJLROH-UHFFFAOYSA-N 222.719 3.928 30 20 BHED Cc1cccc([C@H](C)SCCO[C@H](C)C#N)c1 802752798 TXPAKTABWGIXOR-OLZOCXBDSA-N 249.379 3.718 30 20 BHED C#CCC(C)(C)c1nc([C@H]2CCC[C@H](C)C2)no1 809344607 UVMUVIQVKAJVHK-RYUDHWBXSA-N 246.354 3.664 30 20 BHED C=C[C@@H]1CCCCN1C[C@]1(C)CC1(Cl)Cl 829312561 CLTXCMBJGQNGLT-MNOVXSKESA-N 248.197 3.611 30 20 BHED CCON=C(C)c1c(C)oc2ccccc12 834936656 BGNJTSQLRWZPNC-UHFFFAOYSA-N 217.268 3.502 30 20 BHED CCc1ccc(CCC=NOC(C)C)cc1 835001588 HMESSHRUXADSJV-UHFFFAOYSA-N 219.328 3.592 30 20 BHED FC(F)(F)[C@H]1CCCC(=NOCC2CCC2)C1 853440759 HQHGVQYICBWZAB-JTQLQIEISA-N 249.276 3.912 30 20 BHED CC(C)c1ccc(N[C@@H]2CCC[C@H](C#N)C2)cn1 903340658 XESHMJBQFKSJKV-QWHCGFSZSA-N 243.354 3.699 30 20 BHED CC(=NNc1cccc(C)c1)c1cccc(F)c1 916256342 WJQROAJTTXVLCO-UHFFFAOYSA-N 242.297 3.970 30 20 BHED CCCCCCCC(=O)N1CCC[C@H]1C(C)C 920466372 KFWJSLCMISNKQF-AWEZNQCLSA-N 239.403 3.994 30 20 BHED C=C(C)CCC(=O)N(C)[C@H](C)c1ccccc1 1120870385 WDDLPPSOBOZJAG-CYBMUJFWSA-N 231.339 3.562 30 20 BHED CCC(=NOC(C)(C)C)c1cccc(F)c1 1320576414 FAJYUFYXRTYBIZ-UHFFFAOYSA-N 223.291 3.755 30 20 BHED CC(C)(C)ON=Cc1ccc(F)c2cccnc12 1336204718 JYAWLKQBXDKQEV-UHFFFAOYSA-N 246.285 3.523 30 20 BHED CC[C@@H](C)CSCc1ccc(C#N)cc1OC 1643785753 ZTAFZFWBJNTJQT-LLVKDONJSA-N 249.379 3.846 30 20 BHED C[C@@H]1CCC[C@H](Nc2cccc(F)c2C#N)C1 35237044 CQPCORDZCXSWJQ-MNOVXSKESA-N 232.302 3.688 30 20 BHED CCC(CC)CNc1cccc(F)c1C#N 36138626 GIGSUMSVMMAPBC-UHFFFAOYSA-N 220.291 3.545 30 20 BHED C=C(Br)CN[C@H](C)CCCCCC 49202645 CPMHQORWNQWCJP-LLVKDONJSA-N 248.208 3.844 30 20 BHED Cc1ccc(CNc2ccc(C#N)cc2F)s1 50225669 VMJBPZJCIZMJQD-UHFFFAOYSA-N 246.310 3.679 30 20 BHED CC(C)(C)CN(CCC#N)Cc1ccsc1 93101285 HNZIJBXGFJFFSO-UHFFFAOYSA-N 236.384 3.510 30 20 BHED CC#CCCS[C@H](C)c1cccs1 155300698 WUAGGUMGCGOSOA-SNVBAGLBSA-N 210.367 3.956 30 20 BHED CC(C)C1(CN[C@@H](C)c2cccc(C#N)c2)CC1 182009105 UZOUIGSHGQBQHV-ZDUSSCGKSA-N 242.366 3.645 30 20 BHED C[C@H]1C[C@@H](Nc2cc(F)cc(C#N)c2)CC[C@H]1C 227620262 IYPZXBPJCRIPDP-SUNKGSAMSA-N 246.329 3.934 30 20 BHED CCCCNc1cc(C#N)ccc1C(F)(F)F 301711380 HZSRQVPRMMQPFY-UHFFFAOYSA-N 242.244 3.789 30 20 BHED C=CCC[C@H](NCC(C)C)c1ccco1 336754880 IPSXGGOLACREMS-LBPRGKRZSA-N 207.317 3.533 30 20 BHED C=C1CCN(C(=O)CC2(C)CCCCC2)CC1 337981532 WINWCQGUAKATJC-UHFFFAOYSA-N 235.371 3.526 30 20 BHED C=CCCSCc1cccc(COC)c1 339092041 RUSUVJQRMCPJNG-UHFFFAOYSA-N 222.353 3.642 30 20 BHED C=C(CC)CN[C@H](CC)c1ccc(F)cc1F 341852533 KUOPCRMLNZQKSL-CQSZACIVSA-N 239.309 3.972 30 20 BHED C=CCCC1(c2nc([C@@H]3CC3(C)C)no2)CC1 345908616 VNJXKYHMLPEGJR-JTQLQIEISA-N 232.327 3.581 30 20 BHED CC[C@](C)(C#N)c1nc([C@@H]2CCC[C@@H](C)C2)no1 346253053 MTLKADHBJLJOSS-JTNHKYCSSA-N 247.342 3.555 30 20 BHED C=CCN(c1ccnc2cc(F)ccc12)C1CC1 362650832 WHAILRMKXGHNSN-UHFFFAOYSA-N 242.297 3.529 30 20 BHED C=CCCCCN[C@@H](C)c1ccccc1OC 379768050 MGSULHZLWRZBTP-ZDUSSCGKSA-N 233.355 3.702 30 20 BHED C=CC(C)(C)CNC1CC(c2ccccc2)C1 384945548 KSQUZKBCMQHKEU-UHFFFAOYSA-N 229.367 3.734 30 20 BHED C=CCC[C@@H](NC[C@@H](C)C(F)(F)F)C1CC1 393802830 UJLOUCCHIATSJJ-MWLCHTKSSA-N 235.293 3.519 30 20 BHED C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CC)CC1 424673846 KFXGCQVMDQASCU-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=C(C)C(C)(C)C(=O)NCC(C)(C)C(C)(C)C 424834982 BBESFTWECSEAAM-UHFFFAOYSA-N 239.403 3.777 30 20 BHED C=CC[C@H](CC)Nc1ncc(Cl)c(C)c1C#N 440641099 YSUXMYIUPOKWHZ-JTQLQIEISA-N 249.745 3.682 30 20 BHED C=CCC1(NC(=O)c2occc2C)CCCCC1 456380153 JSPUFGXKVYLSNE-UHFFFAOYSA-N 247.338 3.597 30 20 BHED CC#CCCSc1cccc2cccnc12 462412233 TXYBUFOFKJDNHE-UHFFFAOYSA-N 227.332 3.740 30 20 BHED C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[C@@H](C)C1 468109537 JMAZCFWDLYZMEZ-VNHYZAJKSA-N 237.387 3.531 30 20 BHED C=CCCCN(Cc1ccccc1)CC(F)F 483087223 JAXBFWANPRPEQK-UHFFFAOYSA-N 239.309 3.720 30 20 BHED Cc1cc(CN[C@@H]2CCCC[C@H]2C)ccc1C#N 488317444 VNFDMVCFKTXCEC-MLGOLLRUSA-N 242.366 3.535 30 20 BHED C=CCC(C)(C)CNC(=O)CC1=CCCCC1 490065535 GFKGYKUZPUSAPB-UHFFFAOYSA-N 235.371 3.595 30 20 BHED N#C[C@@H](SCCC(F)(F)F)c1ccccc1 515312041 DDVPYOFKUQBABI-SNVBAGLBSA-N 245.269 3.937 30 20 BHED CCC(CC)SCCOc1ccc(C#N)cc1 520522455 QSBNYUDBEQRVDR-UHFFFAOYSA-N 249.379 3.859 30 20 BHED C=CCCNC1(c2ccc(F)cc2)CCCC1 532698597 NBCZSTJWGUZYHW-UHFFFAOYSA-N 233.330 3.761 30 20 BHED CC(C)C[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 540706213 FAFGBLFHJZMZIK-RYUDHWBXSA-N 248.345 3.783 30 20 BHED C[C@H](CN(C)CC(C)(C)C#N)C1CCCCC1 555545875 MVVKDHJAOABQGP-CYBMUJFWSA-N 236.403 3.684 30 20 BHED C=CCCCCN1C[C@H](C)C[C@H]1c1cccnc1 562703252 ZURITSBRTRMYQH-ZBFHGGJFSA-N 244.382 3.821 30 20 BHED CCC#C[C@H](C)N[C@H](C)c1ccc(SC)cc1 685007360 LWWCHYNWGBHJRU-QWHCGFSZSA-N 247.407 3.861 30 20 BHED C#CCCCCC(=O)N(C)C1CCC(CC)CC1 692858035 NOXPMVSYCDKBHO-UHFFFAOYSA-N 249.398 3.607 30 20 BHED CCCNN=C1CCC[C@@H]1c1ccc(C)cc1 741848684 YHXXAFVIKCKHSL-CQSZACIVSA-N 230.355 3.618 30 20 BHED C=C(C)CCOC(=O)[C@H](C)CC1CCCC1 744303280 UUEVQMDWFBZBNZ-GFCCVEGCSA-N 224.344 3.712 30 20 BHED C(=NNc1cccc2ccccc12)c1ccco1 747060538 VXSTUIAGALFUFZ-UHFFFAOYSA-N 236.274 3.879 30 20 BHED CCC(C)=NOc1ccccc1C(F)(F)F 754709576 KUXSXAWVUMRRIS-UHFFFAOYSA-N 231.217 3.870 30 20 BHED Cc1cc(C)c(NN=C[C@H]2C[C@@H]2C)c(C)c1 758379882 ZQCSLRYCJBWJLR-GXFFZTMASA-N 216.328 3.666 30 20 BHED Cc1cccc(F)c1NN=C1CC2(CCC2)C1 769842041 XWKPGJRJKMYAIN-UHFFFAOYSA-N 232.302 3.866 30 20 BHED CC[C@@](C)(NCCCCC#N)c1ccccc1 775389821 HOJXAHHXWCBSHK-OAHLLOKOSA-N 230.355 3.595 30 20 BHED COc1ccc(NN=C2CCC(C)(C)C2)cc1 783856495 DJRITPUQWLREBC-UHFFFAOYSA-N 232.327 3.673 30 20 BHED CC1(C)CCC1=NNc1c(F)cccc1F 789021456 YFUWIDPXCOOMBU-UHFFFAOYSA-N 224.254 3.553 30 20 BHED C[C@@]1(C=NNc2cccc(F)c2)CCCS1 792982052 BLHBDVVSDDRXJY-LBPRGKRZSA-N 238.331 3.509 30 20 BHED C[C@@H](NN=Cc1ccccc1C1CC1)C(C)(C)C 793118046 ZTJXPAXKHIBXKZ-GFCCVEGCSA-N 244.382 3.922 30 20 BHED C=CCNN=C1C[C@@H](c2ccccc2)C[C@@H](C)C1 794999622 NVFUKLAXVBMJLA-HIFRSBDPSA-N 242.366 3.722 30 20 BHED C=CCCC(CCC)=NN[C@@H](C)c1ccncc1 819817582 BIWNCCAJFZWDTP-ZDUSSCGKSA-N 245.370 3.855 30 20 BHED C#CCCCCC(=O)O[C@@H](C=C)c1ccccc1 851452866 XOGWLUBWCBVZBY-HNNXBMFYSA-N 242.318 3.651 30 20 BHED CCCCCCCSc1ncc(C)cn1 917249274 QKXJSAVSHQFQGO-UHFFFAOYSA-N 224.373 3.848 30 20 BHED CCCCNN=Cc1c[nH]c2cc(Cl)ccc12 918713155 VWIIZHSPEDSYMO-UHFFFAOYSA-N 249.745 3.545 30 20 BHED C=C(CC)CN(CC)Cc1ccccc1F 1254116614 KMGAFBKRRJQPOT-UHFFFAOYSA-N 221.319 3.614 30 20 BHED C=CC(C)(C)CC(=O)N1CC[C@H]2CCCC[C@H]2C1 1262012587 AHPQVHCTKHVPFI-KGLIPLIRSA-N 249.398 3.627 30 20 BHED C=CCC(CC=C)c1nnc(CC(C)(C)C)o1 1322268900 YQPZPECZOVBJPX-UHFFFAOYSA-N 234.343 3.894 30 20 BHED C=C(Cl)CN1Cc2ccccc2C(C)(C)C1 1654011806 VOJGNJXODJSHBM-UHFFFAOYSA-N 235.758 3.532 30 20 BHED N#CCCCSc1ccc(Cl)cc1 19847527 ZNGKYXSIOWCCHH-UHFFFAOYSA-N 211.717 3.736 30 20 BHED N#CCCN[C@@H]1CCCC[C@H]1C1CCCCC1 35009890 ZHAHILHATLIGPI-LSDHHAIUSA-N 234.387 3.629 30 20 BHED CC[C@@H](Nc1ccnc(C#N)c1)C1CCCCC1 61812257 DWPURWGBRIAPHB-OAHLLOKOSA-N 243.354 3.724 30 20 BHED C=C(C)CN[C@H](CC)c1ccc(Cl)cc1 96033118 YUGPRZACSCIDIA-CYBMUJFWSA-N 223.747 3.957 30 20 BHED CC[C@@H]1CCCC[C@@H]1N(C)CCC(C)(C)C#N 120725464 YQNAOWJVWXCKMB-KGLIPLIRSA-N 236.403 3.827 30 20 BHED C=C(Cl)CN[C@H](CC)c1cc(F)ccc1F 129770908 NEJWCAGLRHPBGG-GFCCVEGCSA-N 245.700 3.758 30 20 BHED C=CCCCC[C@H](C)NCc1ccsc1 131926471 ICLKKYQLTMSOPJ-LBPRGKRZSA-N 223.385 3.973 30 20 BHED C=C(CNCC1CCCCC1)c1ccccc1 134358367 IZSDIPKBTZNKJU-UHFFFAOYSA-N 229.367 3.870 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1ccc2ccccc2n1 180948311 BFRSAWIVVAZWJO-STQMWFEESA-N 240.350 3.850 30 20 BHED C=CCC[C@H](CCC)N[C@@H](CCO)C(C)(C)C 185194625 TUJBEVFAJOKEPE-KBPBESRZSA-N 241.419 3.508 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc(F)cc1F 189773459 RWSMAWVSBRXTNO-CYBMUJFWSA-N 239.265 3.506 30 20 BHED C=CCCCCCN[C@@H](C)c1ncc(C)s1 194359093 XIMRTKXXPLIZNP-LBPRGKRZSA-N 238.400 3.849 30 20 BHED C#CCCCCN[C@@H](CCC)c1ccccc1 222285508 XXZPZMMFGGPCCI-INIZCTEOSA-N 229.367 3.921 30 20 BHED C[C@@H]1CC[C@H](NCc2cc(C#N)cs2)C[C@H]1C 246855025 LTMXYIQRELPXRY-WZRBSPASSA-N 248.395 3.534 30 20 BHED C[C@H]1CCC[C@H]1Nc1ccccc1O[C@H](C)C#N 272577843 QABYNWBNRCQTIP-YNEHKIRRSA-N 244.338 3.578 30 20 BHED CN(CCC1(C#N)CCCCC1)CC1CCC1 411261893 QNEAZAOGJIPTPE-UHFFFAOYSA-N 234.387 3.582 30 20 BHED CCc1nc(C(C)C)ccc1CSCCC#N 413012043 FDOMNHNBNACJJZ-UHFFFAOYSA-N 248.395 3.914 30 20 BHED CC(C)C[C@@H]1CCC[C@@H](N[C@@H]2CC[C@H](C#N)C2)C1 424195367 CTHGNJHZPSBJFF-CAOSSQGBSA-N 248.414 3.873 30 20 BHED C=CCCCN[C@@H]1c2cc(F)ccc2C[C@@H]1C 448023646 UOMHJMOLAYJSNE-NHYWBVRUSA-N 233.330 3.615 30 20 BHED N#CCc1ccc(NCCC2CC2)c(Cl)c1 453122040 FJAMJHMNEMTBBI-UHFFFAOYSA-N 234.730 3.618 30 20 BHED C=CC(C)(C)CNC(=O)Nc1ccccc1CC 454231214 FLQDHVFCLDQZET-UHFFFAOYSA-N 246.354 3.583 30 20 BHED CCN(CC[C@@H]1CCC[C@@H](C)C1)C[C@H](C)C#N 464866291 CLRVWHWJBROTKQ-KFWWJZLASA-N 236.403 3.684 30 20 BHED C=CC1CCN(C(=O)[C@@](C)(CC)CCC)CC1 475925058 FCOMLCLUAVHHJM-HNNXBMFYSA-N 237.387 3.627 30 20 BHED CCCN(Cc1ccc(F)cc1C#N)CC(C)C 489576435 HCFPGBJCEZOWKD-UHFFFAOYSA-N 248.345 3.565 30 20 BHED CSCc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 564523300 XZNXHYZNKRGKHZ-BXUZGUMPSA-N 246.379 3.654 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@@H]1CCC(C)=C(C)C1 575804347 MOPXCGLSLQBDKL-LSDHHAIUSA-N 249.398 3.984 30 20 BHED CC(C)c1ccc(CNC[C@@H](C)CCC#N)cc1 602520115 DRTLZFABLQPVJM-AWEZNQCLSA-N 244.382 3.839 30 20 BHED CCN(Cc1ccccc1C)CC1(CC#N)CC1 602758926 HYEJXGKTQXIXFP-UHFFFAOYSA-N 242.366 3.511 30 20 BHED C=CCCCCSc1nc(C)c(C)o1 649456058 NXCWYQHFDWVEFD-UHFFFAOYSA-N 211.330 3.740 30 20 BHED C[C@@H](COc1ccc(C#N)cc1)C(C)(C)C 711182567 SNRBIZGPHFNFNL-NSHDSACASA-N 217.312 3.619 30 20 BHED CCCCCCCCN[C@@H]1C[C@H](C)O[C@H](C)C1 724296994 SDFDFIULRJCKBF-FICVDOATSA-N 241.419 3.893 30 20 BHED Cc1ccc(NN=Cc2cc(C)ccc2F)cc1 734976949 WKGGKHQHDYBTMB-UHFFFAOYSA-N 242.297 3.889 30 20 BHED CCC(CC)=NNc1c(F)cccc1F 735614863 DQNQEFYBAPSIRB-UHFFFAOYSA-N 212.243 3.553 30 20 BHED C/C(C=NO[C@@H]1CCCCO1)=C/c1ccccc1 755817338 ZFQJZFVURYMRIN-CKPIVFRGSA-N 245.322 3.619 30 20 BHED CC(C)[C@@H](C)C(=O)OCCCCC(C)(C)C#N 768697303 MOUYQNMQTQQCQB-GFCCVEGCSA-N 239.359 3.542 30 20 BHED C(=NOC1CCCC1)c1ccc2cnccc2c1 782266974 GWPKPVYUWCHNAF-UHFFFAOYSA-N 240.306 3.528 30 20 BHED CC[C@H]1CC[C@@H](C)CC1=NOCC(F)(F)F 797401270 GSSQVALOEWFSLH-BDAKNGLRSA-N 237.265 3.768 30 20 BHED CON=C(C)CCc1ccc(C(F)(F)F)cc1 800810735 YUJJKINBMOEOJA-UHFFFAOYSA-N 245.244 3.660 30 20 BHED FC(F)c1ccc(C=NOC2CCC2)cc1 812237325 UOFVDKOJOUPYCP-UHFFFAOYSA-N 225.238 3.527 30 20 BHED CC[C@@H]1CCC[C@@H](C=NOCCOC(C)C)C1 812240389 NWPBGULOTZBLNU-ZIAGYGMSSA-N 241.375 3.630 30 20 BHED Cc1ccc(NN=C2CC[C@H](C)C2)cc1 814686074 VOCVSPDIIOAVOA-NSHDSACASA-N 202.301 3.583 30 20 BHED CC(C)c1cccc(C(=O)OCC(C)(C)C#N)c1 850935032 ARZXDORSVDCEEW-UHFFFAOYSA-N 245.322 3.517 30 20 BHED CCON=C(C)c1ccc(F)cc1C(F)(F)F 863076494 ANZYLKSEFSJBMX-UHFFFAOYSA-N 249.207 3.605 30 20 BHED CC(C)(C)SCOc1cccc(F)c1C#N 871662760 HDFMQSMVNNNKET-UHFFFAOYSA-N 239.315 3.565 30 20 BHED C=C1CC(c2noc(C(C)(C)C3CCC3)n2)C1 896877441 RKFIWXPPEMKVHX-UHFFFAOYSA-N 232.327 3.581 30 20 BHED CCC(C[C@@H](C)CC)=NNc1ccccn1 915945147 YIPIJBOPMTWKMM-NSHDSACASA-N 219.332 3.696 30 20 BHED CC(C)CNN=C(CC(C)C)CC(C)C 1320557458 NHELOZNKWMOAES-UHFFFAOYSA-N 212.381 3.680 30 20 BHED CC[C@@H](C=NOC(C)(C)C)c1ccccc1 1324208102 XMKUVNJPHVOCGE-LBPRGKRZSA-N 219.328 3.981 30 20 BHED C=CCC[C@H](NCCC)c1ccccc1 70594398 BMONPGIAELYUEQ-AWEZNQCLSA-N 203.329 3.694 30 20 BHED CCC(CC)(CC)NCc1cc(C#N)ccc1F 86642617 NPOSOAMBSDQYOU-UHFFFAOYSA-N 248.345 3.756 30 20 BHED CCCOc1ccc(NCC2(CC#N)CC2)cc1 88249867 LQDOHGAFFCZXOS-UHFFFAOYSA-N 244.338 3.581 30 20 BHED CCC(CC)N(CC(C)C)CC1(CC#N)CC1 93309037 DWPFTASFPQAQFT-UHFFFAOYSA-N 236.403 3.827 30 20 BHED N#Cc1ccccc1CSc1cccc(F)c1 94623152 HTZUQTOLSMNRSH-UHFFFAOYSA-N 243.306 3.990 30 20 BHED C=CCC[C@H](C)Nc1ccc(NC(=O)CC)cc1 130630303 BZWPEJNFVYEQHX-LBPRGKRZSA-N 246.354 3.802 30 20 BHED C[C@@H]1CCC[C@H](N(C)CC(C)(C)CCC#N)C1 130672039 CIRIEXCRCWSHJX-KGLIPLIRSA-N 236.403 3.827 30 20 BHED CCCCCCC[C@H](C)N[C@@H](C)[C@@H]1CCOC1 136464675 IDKBFBYUXDCIFL-SOUVJXGZSA-N 241.419 3.750 30 20 BHED CC[C@H](S[C@@H](C)C#N)c1ccccc1 156403947 WHLZRUOMFAJIFV-JQWIXIFHSA-N 205.326 3.783 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cc2ccccc2o1 157295763 CUBDUVVRNDYURB-GHMZBOCLSA-N 215.296 3.658 30 20 BHED C=CCC[C@@H](CCC)NCc1ccoc1 166766859 NTRKVHLKZAHXFF-CYBMUJFWSA-N 207.317 3.504 30 20 BHED C=CCCCC(=O)N1CCC[C@@H]1[C@H](C)CCC 178112440 RFWRWAAMUNYVGN-ZIAGYGMSSA-N 237.387 3.770 30 20 BHED CC#CCCCC(=O)Nc1cccc(SC)c1 184863289 HENAROHZWXWHQZ-UHFFFAOYSA-N 247.363 3.541 30 20 BHED CC[C@@H](NCCCCC#N)c1cccc(F)c1 187950844 LEIUGIRDPFYJIE-CQSZACIVSA-N 234.318 3.560 30 20 BHED C=C(CNC[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 252688483 OLESAYBFMIABMZ-BHYGNILZSA-N 241.378 3.726 30 20 BHED Cc1cc(C)c([C@@H](C)NCCCC#N)cc1C 273279833 QDAMBUQIMYCHHW-CQSZACIVSA-N 230.355 3.566 30 20 BHED C=CC[C@H](C(=O)N(CC)CCC)c1ccccc1 275129276 XSLUEBJNGRMNOT-HNNXBMFYSA-N 245.366 3.605 30 20 BHED C=CCCc1noc([C@H](SCC)C(C)C)n1 296225152 AASFNTPCHRRDQL-LLVKDONJSA-N 240.372 3.638 30 20 BHED CCCCCCCNCC(C)(C)CCC#N 310038001 VRHBDYAEFIMCNT-UHFFFAOYSA-N 224.392 3.876 30 20 BHED C[C@H]1CCC[C@@H](NC2CCC(C)(C#N)CC2)C1 336214309 GUALFCDTJIIXDS-FGZQJIAISA-N 234.387 3.627 30 20 BHED CCCCN(CCC#N)[C@H]1CCC[C@@H](C)C1 339642874 BZHYIWUDCRGNJQ-KGLIPLIRSA-N 222.376 3.581 30 20 BHED C=C(CC)CNc1cnn(-c2ccccc2)c1C 349762419 DPLKCIPSFLMWQO-UHFFFAOYSA-N 241.338 3.559 30 20 BHED C=CCCCN[C@@](C)(CC)c1ccccc1 381350219 BNEJPMXFNNUVCN-HNNXBMFYSA-N 217.356 3.868 30 20 BHED CC(C)(C#N)CCCN1CC(C)(C)[C@@H]2CCC[C@@H]21 386090295 PAUCNVFKDFQYIH-KGLIPLIRSA-N 248.414 3.827 30 20 BHED C=CCSCc1nc(Cl)ccc1Cl 388667882 XBIFCMXLCWXYEB-UHFFFAOYSA-N 234.151 3.808 30 20 BHED CC[C@@H](NCC1(CC)CC1)c1ccc(C#N)cc1 447584561 GHKIVFHBGWHXKF-OAHLLOKOSA-N 242.366 3.789 30 20 BHED C=CCCCC[C@H](C)NCC1CCSCC1 449145005 KEOGKKWWYAPGPW-ZDUSSCGKSA-N 241.444 3.854 30 20 BHED Cc1cccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)c1 449775604 MQQHKMUCEXNJCI-OFQRWUPVSA-N 242.366 3.728 30 20 BHED C[C@H](NCC1(C#N)CCC1)c1ccccc1Cl 450504886 AYWZWHBSTQNVCO-NSHDSACASA-N 248.757 3.684 30 20 BHED C=C(C)CCNc1ccc(CC#N)cc1Cl 453124922 IWHXSXAULVOBJN-UHFFFAOYSA-N 234.730 3.784 30 20 BHED C=C(C)CCN[C@H]1CCCOc2cc(C)ccc21 453316303 KCCQGSQDHZZGRY-HNNXBMFYSA-N 245.366 3.765 30 20 BHED CC#CCCN(Cc1ccccc1)[C@@H](C)C1CC1 462314234 JCLZSUNJHYQAGV-HNNXBMFYSA-N 241.378 3.701 30 20 BHED C=C[C@@H](C)NC(=O)Nc1ccccc1C(C)(C)C 465165836 GDSADMHGZUPBLT-LLVKDONJSA-N 246.354 3.680 30 20 BHED C=CCCN(C)C/C=C\c1ccc(Cl)cc1 467371033 SHKCGHXXTBIURV-WAYWQWQTSA-N 235.758 3.861 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1ccccc1N(C)C 467407994 VRJMXCMWSCOOPT-KBPBESRZSA-N 246.398 3.758 30 20 BHED C=CCC(CC=C)C(=O)N[C@H]1CCC[C@H](C)CC1 468074580 SGMAAQHUTUXWEP-ZFWWWQNUSA-N 249.398 3.840 30 20 BHED C=CCCCN(CC)[C@@H](C)Cc1ccsc1 495192322 IKAXZGCJTXFHSU-ZDUSSCGKSA-N 237.412 3.967 30 20 BHED C=C1CCN(CC2CCCCCC2)CC1 513467983 ZWCZFIBQSYDAGQ-UHFFFAOYSA-N 207.361 3.609 30 20 BHED C=CCCOc1c(CC=C)cc(C)cc1OC 555406926 FMSYBGXQIITSAO-UHFFFAOYSA-N 232.323 3.687 30 20 BHED C=CCCCCCN1CCC[C@H]1c1cccnc1 561348705 PZZUPVHKIIAEGJ-INIZCTEOSA-N 244.382 3.965 30 20 BHED Cc1ccc2sc(CSCCC#N)nc2c1 600554660 FUTBVPBBAGVNLH-UHFFFAOYSA-N 248.376 3.752 30 20 BHED COc1ccccc1[C@H](C)S[C@H](C#N)C1CC1 601077593 WJLZGACRHYQPBV-IINYFYTJSA-N 247.363 3.792 30 20 BHED C#CCCCCC(=O)Nc1ccc(CC)c(C)c1 692865353 JZCJQOJFAYYDCC-UHFFFAOYSA-N 243.350 3.690 30 20 BHED C=CCCC(=O)O[C@@H](C)c1ccccc1C 733685116 OPIQCQPMLPAAQU-LBPRGKRZSA-N 218.296 3.565 30 20 BHED C=CCCCOC(=O)/C=C(\C)c1ccccc1 735530597 MVBZRBXKENLPJL-OUKQBFOZSA-N 230.307 3.599 30 20 BHED CCCCCCCCNC(=O)CC(C)(F)F 758006465 YFSQLVPFJVKEKL-UHFFFAOYSA-N 235.318 3.508 30 20 BHED CC(CC1CCC1)=NN[C@@H](C)c1ccccc1 758374955 LQQUGUQCTDDZDP-ZDUSSCGKSA-N 230.355 3.903 30 20 BHED CCCCCCCN[C@H](C)CC1CCOCC1 776747126 NLHMPKGICRAPBF-CQSZACIVSA-N 241.419 3.752 30 20 BHED CCC(C)=NNc1nc2ccccc2cc1C 776785669 YTKKOFGUKXNZHF-UHFFFAOYSA-N 227.311 3.741 30 20 BHED C#CCCCCCC(=O)N[C@@H]1CCCC[C@@H]1CC 779838810 ICVFUHFZAHEKQF-LSDHHAIUSA-N 249.398 3.655 30 20 BHED CC(C)ON=C1CCC(OC2CCCC2)CC1 835002517 PDCGKQMWLKCTOJ-UHFFFAOYSA-N 239.359 3.669 30 20 BHED C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C(C)C 889035681 SFMCHMJHSDEGSS-CYBMUJFWSA-N 237.387 3.626 30 20 BHED C=C1CC(c2noc([C@@H](C)c3ccsc3)n2)C1 896885054 PRMKWDMROFJCMM-VIFPVBQESA-N 246.335 3.717 30 20 BHED C=C[C@@H](CC)CC(=O)O[C@@H](CC)c1ccncc1 905931105 MUBHKGWWXZNGDM-JSGCOSHPSA-N 247.338 3.678 30 20 BHED C=CC(C)(C)C(=O)OCCCCC1(C#N)CCC1 909356005 JYXVUCOGAOHFOY-UHFFFAOYSA-N 249.354 3.606 30 20 BHED Oc1ccc(Cl)cc1/C=N\[C@@H]1C=CCCC1 1332223930 OJZBZUDNSDRTBG-CDCQXCROSA-N 235.714 3.573 30 20 BHED C[C@@H]1CCCN(CCC2(C#N)CCCCC2)[C@@H]1C 1473187874 UYECZDFJUHROHY-HUUCEWRRSA-N 248.414 3.971 30 20 BHED CCCC(CCC)Nc1ccc(OCC#N)cc1 20126556 OOXCGCLSIITZHB-UHFFFAOYSA-N 246.354 3.970 30 20 BHED CCC(C#N)(CC)C(=O)Nc1cc(C)cc(C)c1 44765027 UHGDZSHDGBXCKB-UHFFFAOYSA-N 244.338 3.572 30 20 BHED Cc1ccc(F)c2c1CCCN2CCCCC#N 68859066 LIAWLMHUEWAIGQ-UHFFFAOYSA-N 246.329 3.581 30 20 BHED C=CCCC(=O)CSc1cccc(Cl)c1 85195358 BNJPSNZMPXXHFO-UHFFFAOYSA-N 240.755 3.967 30 20 BHED CC[C@H](NCCC(C)(C)C#N)C1CCCCC1 87591922 YHCYZOFMTFNCMM-AWEZNQCLSA-N 236.403 3.875 30 20 BHED N#Cc1cccc(C(=O)/C=C\c2ccsc2)c1 97152377 MCLXLGZTSPWSFY-PLNGDYQASA-N 239.299 3.516 30 20 BHED C=CCCCN(C)[C@@H](C)c1cccs1 117873484 BEZYCIUCSRDNTQ-NSHDSACASA-N 209.358 3.707 30 20 BHED C#CCCCCC(=O)N[C@H]1CCC[C@@H]1CCCC 119798320 KMGCXZIBVMGHKM-GJZGRUSLSA-N 249.398 3.655 30 20 BHED C=CCCC(=O)O[C@H](C)c1cc(F)cc(F)c1 119971222 CUXHMLBDRANVGO-SECBINFHSA-N 240.249 3.535 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc(OCC(C)C)cc1 132680723 GHOZUNIVBOXWTF-KBPBESRZSA-N 247.382 3.947 30 20 BHED C=CCC[C@H](C)N[C@H]1CCC[C@H](SC)C1 134922146 HTHKITUPPXWSEK-AVGNSLFASA-N 227.417 3.605 30 20 BHED C=C(Cl)CN[C@H](C)c1cc2ccccc2o1 135835203 HKSLMTVRADNCHN-SNVBAGLBSA-N 235.714 3.836 30 20 BHED COc1cccc(/C=C/C(=O)c2ccsc2)c1 194615424 WXNPZGPGGCBGFI-AATRIKPKSA-N 244.315 3.653 30 20 BHED CC1=CC[C@@H](N[C@@H](C)c2ccc(C#N)cc2)CC1 284197489 RYLLAJRXNVHFBN-XJKSGUPXSA-N 240.350 3.708 30 20 BHED C=CCCNc1c(F)cccc1SCC 309044743 NQSQVQKJOBICCA-UHFFFAOYSA-N 225.332 3.926 30 20 BHED C=CCC[C@@H](CCC)NC[C@@H]1CCCSC1 309936642 AGBRIJMXAGGUST-UONOGXRCSA-N 241.444 3.854 30 20 BHED CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C)cc1 339064162 RUAUFCHUXIJFII-IMJJTQAJSA-N 242.366 3.728 30 20 BHED CC[C@@H]1CC[C@H]1N[C@H](CCC#N)c1ccccc1 348414397 ROCXZUQSMMOFAH-FVQBIDKESA-N 242.366 3.810 30 20 BHED C=CCS[C@H](C)c1ccccc1OC 361375070 IHPAVYHXDTXPJN-SNVBAGLBSA-N 208.326 3.675 30 20 BHED C[C@@H](NCC1=CCCCC1)c1ccc(C#N)cc1 379579910 IGOWAHJRGUEIPM-CYBMUJFWSA-N 240.350 3.709 30 20 BHED C=CC[C@H](C)N[C@H](C)c1ccc(OC)cc1C 414105772 WSSFVWMHRVSIIF-QWHCGFSZSA-N 233.355 3.619 30 20 BHED C=CCC(C)(C)c1nc(-c2ccsc2)no1 426447258 IKKSODISGBISLC-UHFFFAOYSA-N 234.324 3.652 30 20 BHED C=CCCCN(C)[C@H](C)Cc1cccc(F)c1 445299135 RBBVOANNAXKNCJ-CYBMUJFWSA-N 235.346 3.655 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[C@@H](CC)C1 468029656 MECNCSYHMSHSCW-UMVBOHGHSA-N 237.387 3.674 30 20 BHED C=CCCCC(=O)NCC1CCC(CC)CC1 479561876 GUQHZSQUHHYFKH-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=C(CC)CN(C)C/C(C)=C\c1ccccc1 494293687 RNSSALWYQZRIOW-PTNGSMBKSA-N 229.367 3.988 30 20 BHED C=CCN(C)Cc1ccccc1-c1ccccc1 507220125 UCWFQYSPXBKQMP-UHFFFAOYSA-N 237.346 3.971 30 20 BHED C[C@@H](c1cccc(F)c1)N1CCC[C@H](CC#N)C1 595613350 BMDJCVDJTLAIPC-QWHCGFSZSA-N 246.329 3.512 30 20 BHED C=CCC[C@H](CCC)N[C@H]1CCS[C@@H]1C 647357995 LBXMMUJYZRFJDV-AGIUHOORSA-N 227.417 3.605 30 20 BHED C=CCCCCCCN[C@H](C)C[C@H]1CCOC1 689825125 AIBABAPJKRYEER-HUUCEWRRSA-N 239.403 3.528 30 20 BHED C=CCCN(Cc1ccccc1O)C1CCCC1 739915514 QBMSSSTYIOSBDR-UHFFFAOYSA-N 245.366 3.713 30 20 BHED C=C(C)CCOC(=O)C[C@@H]1CCc2ccccc21 744304381 TYWFQQXPZVHXMB-AWEZNQCLSA-N 244.334 3.616 30 20 BHED Cc1cccc(C)c1C=NNc1ccc(C#N)cc1 755651808 OKWSQUGZMBKPLN-UHFFFAOYSA-N 249.317 3.621 30 20 BHED C=CCCC(C)=NNc1ccc(F)cc1F 758070707 USEFTDOAJYWTPZ-UHFFFAOYSA-N 224.254 3.719 30 20 BHED C#CCN(C(=O)C[C@H](C)CCCCCC)C1CC1 763799071 ILGPWUFWCZFYPU-CQSZACIVSA-N 249.398 3.607 30 20 BHED CC(CCc1ccccc1)=NOC1CCCC1 774596826 MUXGYQLFFPGXPK-UHFFFAOYSA-N 231.339 3.954 30 20 BHED CCCC(CC)=NNc1ccccc1[N+](=O)[O-] 776183336 KTSMPUTYMBQUEJ-UHFFFAOYSA-N 235.287 3.573 30 20 BHED O=C(/C=C/C=C/c1ccccc1)c1cscn1 776191448 HVLRZFATGQBZBD-KBXRYBNXSA-N 241.315 3.595 30 20 BHED C1=CC[C@@H](C=NOC2CCCCC2)CC1 777458062 DTTXBGRDQGJPIN-GFCCVEGCSA-N 207.317 3.678 30 20 BHED Fc1ccc(/C=C\C=NNC2CCCCC2)cc1 786040706 QQTAUHQXGNBYDY-MRLUTGBVSA-N 246.329 3.747 30 20 BHED C#Cc1ccc(CNc2ccc(CC)cc2)cc1 809596545 IRZQQUPPZXLYLO-UHFFFAOYSA-N 235.330 3.842 30 20 BHED C=CC(C)(C)CNc1cccc(F)c1C(C)=O 828815766 CUJCLTKTDBVLKO-UHFFFAOYSA-N 235.302 3.652 30 20 BHED C#C[C@@H](OC(=O)C(C)(C)CC=C)c1ccccc1 842391974 WHMLVXZDTWOQIM-CQSZACIVSA-N 242.318 3.506 30 20 BHED C=C(C)CON=C1CCC(C(F)(F)F)CC1 844618146 JJLJKGBSPRCIDO-UHFFFAOYSA-N 235.249 3.688 30 20 BHED C=CC(C)(C)COC(=O)CC1(C#N)CCCCC1 851063882 KKTNFAYBWWUHOP-UHFFFAOYSA-N 249.354 3.606 30 20 BHED C=CC(C)(C)CC(=O)Nc1cccc(F)c1C 879043748 HPVARSUYDLRFRK-UHFFFAOYSA-N 235.302 3.675 30 20 BHED CCCCC(C)=NNc1ccc(C(C)(C)C)nn1 1251931117 IFMUSCDSVDYNJZ-UHFFFAOYSA-N 248.374 3.752 30 20 BHED C=C(C)C(C)(C)c1nnc(C2CCCC2)o1 1330093461 NQGFBCAZULSGQE-UHFFFAOYSA-N 220.316 3.581 30 20 BHED C#CCCN[C@H](C)c1cc(Cl)ccc1Cl 69768247 OXFXTUVYWOUBIT-SECBINFHSA-N 242.149 3.667 30 20 BHED Cc1ccc(CNc2ccc(C#N)cc2)cc1F 70160251 WFLOAZBRJIVIPC-UHFFFAOYSA-N 240.281 3.618 30 20 BHED Cc1ccccc1[C@H](NCCCCC#N)C1CC1 91319679 KNGPFHXXAZHZKD-MRXNPFEDSA-N 242.366 3.730 30 20 BHED CCCCCCCN[C@@H](C)c1c(C)noc1C 118474313 HARJNPLDNQXSHN-NSHDSACASA-N 238.375 3.912 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1ccoc1 133096952 YHPXBICQTSHFOV-NWDGAFQWSA-N 207.317 3.675 30 20 BHED Cc1cc(OC/C=C/c2ccccc2)ccc1C#N 133505920 ZVPAHWBLHFWVFK-VMPITWQZSA-N 249.313 3.959 30 20 BHED C[C@H](CN(CC#N)C1CCCC1)c1ccccc1 156589554 ZXSJAVLLIFLZII-CQSZACIVSA-N 242.366 3.558 30 20 BHED C#CCCCOc1ccc(Cl)cc1Cl 161021875 VYOFDEDYWYIFRP-UHFFFAOYSA-N 229.106 3.786 30 20 BHED CCCCCCCCCCNC(=O)C(F)F 232935228 XVGYDDUIXZGFRN-UHFFFAOYSA-N 235.318 3.508 30 20 BHED C[C@@H]1OCC[C@@H]1SCCCCC(C)(C)C#N 235301210 RXEVSPATGUVMLD-RYUDHWBXSA-N 241.400 3.617 30 20 BHED C[C@@H]1CCC[C@H](N[C@H]2CCC[C@H](C#N)C2)CC1 249037934 TYHMZMOREXWMDR-QPSCCSFWSA-N 234.387 3.627 30 20 BHED C[C@@H](N[C@H]1CCC1(C)C)c1ccc(C#N)c(F)c1 286883688 CNRDICRQVLDJCD-YGRLFVJLSA-N 246.329 3.537 30 20 BHED CC(C)N(CCC#N)CCC1CCCCC1 303218668 LUYXVOQJPWQHKL-UHFFFAOYSA-N 222.376 3.581 30 20 BHED C=CCC[C@H](CC)N[C@H](C)CCC1CC1 309172601 LSCHQWYFILVJDP-OCCSQVGLSA-N 209.377 3.900 30 20 BHED C#CCCNc1cccc(Cl)c1OC(C)C 309354609 NPPYQIHEFWTKDK-UHFFFAOYSA-N 237.730 3.562 30 20 BHED Cc1noc(C2CC2)c1N=C(O)CCC1CC1 329786387 XVCDISUDDPRCGU-UHFFFAOYSA-N 234.299 3.639 30 20 BHED C=CCS[C@H](C)c1nccn1-c1ccccc1 341901823 NPURIJKEZOOFKV-GFCCVEGCSA-N 244.363 3.853 30 20 BHED N#CCC1(CNc2ccc(C(F)F)cc2)CC1 386211547 HRRNKCBQGLFDFZ-UHFFFAOYSA-N 236.265 3.730 30 20 BHED CC[C@@H](CC#N)NCCC1CCCCCC1 393759349 ZENBJKFDFJDHEW-AWEZNQCLSA-N 222.376 3.629 30 20 BHED N#CCc1ccc(N[C@H]2CCCC23CCC3)cc1 394808775 IUQBSRQEJMGYHJ-HNNXBMFYSA-N 240.350 3.887 30 20 BHED N#CCCC1CCN(CCC2=CCCCC2)CC1 399477522 XZRGHUKDDSCHIQ-UHFFFAOYSA-N 246.398 3.893 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H](CC)[C@@H]1CC1(C)C 416080507 LXXCHELIEKKKQY-RYUDHWBXSA-N 237.387 3.530 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cc(C)cc(F)c1 467977988 FQKKQEFZKIXJCC-AWEZNQCLSA-N 235.302 3.675 30 20 BHED C=C(C)CCN1C[C@@H](c2ccccc2)C[C@@H]1C 509695305 GTEDFGUDQXOIEL-HOCLYGCPSA-N 229.367 3.831 30 20 BHED C=CCCCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 531122431 DLEKKKUTLJBWQW-RRFJBIMHSA-N 249.398 3.770 30 20 BHED C=CC[C@@H](C)[C@H](C)NCC1(OCC)CCCC1 556232397 JFTHNWRUQGTGPV-KGLIPLIRSA-N 239.403 3.526 30 20 BHED C=CCC1(NCc2cc(C#N)cs2)CCCC1 594988000 NHQNWQQUOMZORI-UHFFFAOYSA-N 246.379 3.598 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCCC1(CSC)CC1 595065963 HXQCVYPHSUZTJU-CHWSQXEVSA-N 241.444 3.710 30 20 BHED C=C(C)CN(CC)C[C@@H](C)c1ccccc1 604883998 VQFFXPNEZPZPAL-CQSZACIVSA-N 217.356 3.688 30 20 BHED C=C(CNc1nc(CC)cs1)c1ccccc1 673461326 ARHIVRPDUXLROU-UHFFFAOYSA-N 244.363 3.831 30 20 BHED C=C(C)CN(CC)C(=O)C(CC)(CC)CC 675436233 JPZROSLYSWIWBL-UHFFFAOYSA-N 225.376 3.627 30 20 BHED N#Cc1cc(F)cc(N[C@@H]2CCCC23CCC3)c1 718564102 JQRCGTCVDAMYDD-CQSZACIVSA-N 244.313 3.832 30 20 BHED C=C(C)CCOC(=O)c1cc2occc2s1 744299495 DFABRGJRAOPAIZ-UHFFFAOYSA-N 236.292 3.617 30 20 BHED CCCCCCCCC(=O)N1C[C@@H](C)[C@@H](C)C1 751967144 AYTQLPBSIXDWKM-OKILXGFUSA-N 239.403 3.851 30 20 BHED C=CCN(Cc1ccccc1C1CC1)C(C)C 768552540 WDROWVDXWKMZAE-UHFFFAOYSA-N 229.367 3.960 30 20 BHED CCOCCON=CC[C@@H](C)CCC=C(C)C 774438193 QVZRDFUUUAIEHY-AWEZNQCLSA-N 241.375 3.798 30 20 BHED CC[C@@H]1CCC[C@H](C=NNc2ccccn2)C1 783805319 SSYXIKQMEUMMIQ-OLZOCXBDSA-N 231.343 3.696 30 20 BHED C=CC[C@H](CC)NC(=S)Nc1ccc(C)cc1 798376466 UNCHGCXDOYSKKT-LBPRGKRZSA-N 248.395 3.636 30 20 BHED C=C(CNC(=O)/C=C(/C)CCC)c1ccccc1 807797569 IGCRTTLIOUGBOD-QBFSEMIESA-N 243.350 3.562 30 20 BHED CCc1ccc(C(C)=NOC/C=C\Cl)s1 811672216 TYKOIJPFGLBGMR-FHMVDFTOSA-N 243.759 3.804 30 20 BHED Cc1cccc(NN=C2CC[C@@H](C)C2)c1 814687650 PMRGLEGUMAFMJF-LLVKDONJSA-N 202.301 3.583 30 20 BHED Cc1cc(F)ccc1NN=C1CC[C@@H]1C1CC1 814885000 IMMSTXFFYNPQNM-GFCCVEGCSA-N 232.302 3.722 30 20 BHED CC[C@@H]1CCCC(=NN[C@H](C)c2ccncc2)C1 819814938 IVAIUGVAHMDIHE-CHWSQXEVSA-N 245.370 3.688 30 20 BHED C=C(CC)CN[C@H](CC)c1ccc(C)cc1O 834902550 JAXJJQHESJBLQL-CQSZACIVSA-N 233.355 3.708 30 20 BHED C=C(C)CON=C1CC(c2ccccc2)C1 844619653 IOQNPNKQTSVABC-UHFFFAOYSA-N 215.296 3.513 30 20 BHED C=COc1ccc(NC[C@H](C)CCC#N)cc1 877582859 BAJVUYHGQWMENN-GFCCVEGCSA-N 230.311 3.561 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(C(F)F)cc1 885581456 BCNRBOMMAUQYTP-UHFFFAOYSA-N 239.265 3.775 30 20 BHED C[C@@H](CC(C)(C)C#N)NC1(c2ccccc2)CC1 925825108 APYLUVZCHUYFQF-ZDUSSCGKSA-N 242.366 3.594 30 20 BHED CC(=NOC(C)(C)C)[C@@H](C)c1ccccc1 1324558347 MJVBXMKUWGDCCM-LLVKDONJSA-N 219.328 3.981 30 20 BHED CC(C)CC[C@@H]1CCCCN1CC1(CC#N)CC1 1644875036 PKUZBXJWBJFPCP-HNNXBMFYSA-N 248.414 3.971 30 20 BHED CC(C)Cc1ccc(CC(C)C)c(C#N)c1C#N 2332240474 JNHMJTKDMBQXKQ-UHFFFAOYSA-N 240.350 3.827 30 20 BHED C[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cc1 19950809 VJTCQBCJJOVWOO-BXUZGUMPSA-N 214.312 3.549 30 20 BHED C[C@H](CCc1ccco1)Nc1ccc(C#N)cc1 35118390 JTLQEOWUXQNQEL-GFCCVEGCSA-N 240.306 3.584 30 20 BHED C[C@@H]1CCCC[C@@H]1Nc1cccc(OCC#N)c1 37069507 ABQHTOJBAXGDRF-DOMZBBRYSA-N 244.338 3.580 30 20 BHED CSc1ccc([C@H](C)NCC(C)(C)C#N)cc1 122215831 DPDDFDTZNVKRKD-NSHDSACASA-N 248.395 3.609 30 20 BHED C=CCC[C@H](C)Nc1ccc(N(C)C)cc1 126900692 CHDSEARPHSJZMS-LBPRGKRZSA-N 218.344 3.519 30 20 BHED Cc1ccc([C@@H]2CCCCCN2CCCC#N)o1 158630549 XTKKMDSZNBYUNO-AWEZNQCLSA-N 246.354 3.809 30 20 BHED C=C(C)CNC(=O)C[C@@H](c1ccccc1)C(C)C 161180204 PWLQOTBDTCQNHY-OAHLLOKOSA-N 245.366 3.509 30 20 BHED C=CCCN[C@H](C)c1cccc(OC(F)F)c1 163908790 KJXJGWYMSJFEPI-SNVBAGLBSA-N 241.281 3.515 30 20 BHED Cc1c(F)cccc1N[C@@H]1CCC[C@@H](C#N)C1 185737751 LAICNDVZKKACEY-VXGBXAGGSA-N 232.302 3.628 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1cc(C)ccc1F 189943713 YYJCKIYPCXBXHB-CQSZACIVSA-N 235.302 3.675 30 20 BHED CC[C@H](CC#N)N[C@H]1CCC[C@H](CC(C)C)C1 300308713 KUYXMDPWMVCNHL-KFWWJZLASA-N 236.403 3.873 30 20 BHED C=CCNc1cc(Cl)ccc1OC(C)C 308889310 WYPPGYHLXACLAW-UHFFFAOYSA-N 225.719 3.725 30 20 BHED C=C(CC)CNc1cccc(Cl)c1OC 309046055 OQNUUWDCGRTXTH-UHFFFAOYSA-N 225.719 3.727 30 20 BHED C=CCC[C@H](C)N[C@H](C)c1ccncc1CC 361127925 BRHDFBTVIXYOSN-QWHCGFSZSA-N 232.371 3.649 30 20 BHED C=CC(C)(C)CNCc1coc2ccccc12 385009389 XNBLVNBEOBSKDE-UHFFFAOYSA-N 229.323 3.735 30 20 BHED CCC[C@]1(C)CCCN([C@H](C)CCC#N)C1 411294622 ILMPIYZATXHHCC-ZIAGYGMSSA-N 222.376 3.581 30 20 BHED N#Cc1ccc(N[C@H]2C[C@H](c3ccccc3)C2)cc1 435605043 GNXMFPDPUWRPEK-JCNLHEQBSA-N 248.329 3.916 30 20 BHED CC[C@@H](C)C[C@H](C)NCc1ccc(C#N)c(C)c1 444001923 MALPRZBRSGKEJS-OCCSQVGLSA-N 244.382 3.781 30 20 BHED C=CC[C@@H](C)[C@H](C)NCc1cc(C)cs1 449475047 DXSSGTWAKUJQFL-NEPJUHHUSA-N 223.385 3.747 30 20 BHED C=CCC[C@@H](C)NCCCc1ccccc1F 475568478 GEHBIKPXDWZUOY-CYBMUJFWSA-N 235.346 3.703 30 20 BHED C=CCN1C[C@H](C)CC[C@@H]1c1ccccc1OC 510192646 NOWWAQWFEAVLKR-UKRRQHHQSA-N 245.366 3.654 30 20 BHED C=CCC1(c2nc(-c3ccc(C)o3)no2)CCC1 572644747 UDKXGFCKEPECIL-UHFFFAOYSA-N 244.294 3.636 30 20 BHED CC[C@H]1CC[C@H](C)N1Cc1ccc(C#N)c(C)c1 580012821 OQPAIZKMBRPHBW-BBRMVZONSA-N 242.366 3.630 30 20 BHED C=CCCN1CCc2ccccc2[C@@H]1CC 606898129 OEODKDFVWCELPE-HNNXBMFYSA-N 215.340 3.572 30 20 BHED C=CCN(C(=O)c1ccc(C)c(C)c1)C(C)(C)C 622942512 PCNBLHLGKCJAAP-UHFFFAOYSA-N 245.366 3.730 30 20 BHED C=CCCN[C@@H](C)c1cc2ccc(C)cc2o1 658114949 SPMJZZOJGDJBTR-LBPRGKRZSA-N 229.323 3.968 30 20 BHED C#CCCCOc1ccc(/C=C\C)cc1OC 686889217 BVCDGYXEUANKAC-YVMONPNESA-N 230.307 3.521 30 20 BHED CCCCCCCN[C@@H](C)c1cncc(F)c1 703743665 HNYRDRFGWQVJOM-LBPRGKRZSA-N 238.350 3.842 30 20 BHED C=CCCC(=O)OCc1c(C)cc(C)cc1C 726656682 WYWXGSSWBCXCTJ-UHFFFAOYSA-N 232.323 3.621 30 20 BHED C1CCC(NN=C2CC[C@@H]3CCCC[C@@H]3C2)C1 727651880 CRGLAGIHFORPEF-QWHCGFSZSA-N 234.387 3.865 30 20 BHED CCCCCCCCC(=O)OCC(F)F 729074568 NGIBIDAXABJHIO-UHFFFAOYSA-N 222.275 3.545 30 20 BHED CCCCCCC[S@](=O)CCC(F)(F)F 766876773 UBRQURDECAHKRO-HNNXBMFYSA-N 244.322 3.658 30 20 BHED C[C@@H]1CCCC[C@@H]1C=NOC/C=C\Cl 811671970 ZFBVVDBFPKABEN-SKOPFGGISA-N 215.724 3.568 30 20 BHED CCC(=NNc1ncccc1Cl)c1ccco1 814810376 JWDDJEODYDDLLJ-UHFFFAOYSA-N 249.701 3.554 30 20 BHED C1CCC(ON=C2CC[C@H]2C2CCC2)CC1 814908649 AIGHVGOPAQRMJQ-ZDUSSCGKSA-N 221.344 3.902 30 20 BHED CCSCC(=NOC(C)C)c1ccccc1 835001744 JIWMIQRTYCBKRZ-UHFFFAOYSA-N 237.368 3.569 30 20 BHED C=C(CC)CNC(=S)Nc1c(C)cccc1C 840827036 ZNCLYUBFCIGOGQ-UHFFFAOYSA-N 248.395 3.556 30 20 BHED C[C@@H](NN=C1CCC(F)(F)CC1)C(C)(C)C 842533582 OYBVTQVGHHFUPX-SECBINFHSA-N 232.318 3.576 30 20 BHED CC[C@H](C)CC=NNc1cccc(C(=O)O)c1C 844623091 KJDJLTKEQDOMHY-JTQLQIEISA-N 248.326 3.527 30 20 BHED C=C[C@@H](C)ON=Cc1ccc(C(F)F)cc1 844625951 PZOZJRDGJLRBFC-SECBINFHSA-N 225.238 3.549 30 20 BHED CCCOc1cccc(CON=C2CCC2)c1 853669202 FBYPMHRXDPCYHR-UHFFFAOYSA-N 233.311 3.532 30 20 BHED C#CCCOC(=O)Oc1ccc(CCCC)cc1 859080446 KGDQANRGMVDBOI-UHFFFAOYSA-N 246.306 3.568 30 20 BHED C=CC(C)(C)CC(=O)Nc1ccccc1C 877916014 UTIFESOZOFORNP-UHFFFAOYSA-N 217.312 3.536 30 20 BHED C=CC(C)(C)CC(=O)N(C)c1ccc(C)cc1F 891606304 FHFWAJSPPOYXRS-UHFFFAOYSA-N 249.329 3.699 30 20 BHED CC(=O)[C@@H](C)SCCCCC1(C#N)CCC1 901508200 YARSXVCKHSOVJB-GFCCVEGCSA-N 239.384 3.561 30 20 BHED C=CC(C)(C)Cc1nc(-c2ccc(C)cc2)no1 904569708 LDSQXZGEJRKRNU-UHFFFAOYSA-N 242.322 3.800 30 20 BHED C=C1CCN(C(=O)C2(C3CCCCC3)CC2)CC1 906581169 SQTGMMUVSLTUAF-UHFFFAOYSA-N 247.382 3.526 30 20 BHED CC(=NNc1ccccc1Cl)c1ccco1 916262839 QLDNPNJDERNTIT-UHFFFAOYSA-N 234.686 3.769 30 20 BHED C=C(C)CCC(=O)Nc1ccc(Cl)cc1F 1120869810 ARNDXSJLFSNJAW-UHFFFAOYSA-N 241.693 3.774 30 20 BHED C[C@@H](CSc1ccc(C#N)cn1)C(C)(C)C 1165502964 BPVLLRBXDHGXDX-JTQLQIEISA-N 234.368 3.728 30 20 BHED CCC(CC)CC=NNc1cccc(C(=O)O)c1 1776036865 HMVNZXPFUVOZIE-UHFFFAOYSA-N 248.326 3.609 30 20 BHED Cc1ccccc1CSc1ccc(C#N)cn1 49957054 BBOOUCLUJARWHZ-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=CCCN[C@@H](C)c1ccc(Cl)cc1 70591995 SLQIEWDVULNSSW-JTQLQIEISA-N 209.720 3.567 30 20 BHED CC(C)c1cccc(Oc2cccc(C#N)n2)c1 81620543 BNKBGUFVTJVHJF-UHFFFAOYSA-N 238.290 3.869 30 20 BHED C[C@@H](c1cccs1)N(C)CCC(C)(C)C#N 87595329 ULYNAJPRRMZLRR-NSHDSACASA-N 236.384 3.681 30 20 BHED C=C(C)CSCc1ccccc1OC 120957082 SZYURKVYAVLOEN-UHFFFAOYSA-N 208.326 3.505 30 20 BHED C=C(Cl)CN[C@H](C)[C@@H](C)c1ccccc1 129799459 KAVNALPUUKPDEO-VXGBXAGGSA-N 223.747 3.521 30 20 BHED C=C(Cl)CN[C@@H](C)c1cc(C)ccc1C 135833333 ZIWSIPCIVDMYMD-LBPRGKRZSA-N 223.747 3.707 30 20 BHED CCCCCCCC(=O)N[C@@H]1CC[C@@H](C)C1 159770049 JQLDIEMGFXBYCP-CHWSQXEVSA-N 225.376 3.652 30 20 BHED C=CC[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1 161678922 PNIAXSASGGKYCD-UWVGGRQHSA-N 225.282 3.580 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccc(C)cc1C 189753509 RGSKSICYMFKMLD-HNNXBMFYSA-N 231.339 3.844 30 20 BHED C=CCN(Cc1ccccc1)C(=O)/C(=C/C)CC 190031098 KQGMOZFOFRVTHQ-PJQLUOCWSA-N 243.350 3.558 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1ccccc1 196357504 GSMCIOTVJSEPSR-GXTWGEPZSA-N 203.329 3.692 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 246100474 MVLSZLMJDSLRKG-KCQAQPDRSA-N 249.398 3.696 30 20 BHED CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCCCCC#N 247007898 MAMVGOUCOKJLOM-KFWWJZLASA-N 236.403 3.731 30 20 BHED C=CCC(CC=C)C(=O)NC1CCCCCC1 268168303 POIQSDSGRHXSOF-UHFFFAOYSA-N 235.371 3.594 30 20 BHED N#CCCCN[C@H]1CCCC[C@H]1c1ccccc1 273161310 KLAAREKFILCPBH-HOTGVXAUSA-N 242.366 3.606 30 20 BHED C=CC(C)(C)C(=O)NCC[C@@H](C)c1ccccc1 294638079 SXIRPGDYLSHJQI-CYBMUJFWSA-N 245.366 3.509 30 20 BHED C=CCC(C)(C)CN[C@H](C)CCc1ccco1 310144823 FZVBYSAFISCFNC-CYBMUJFWSA-N 235.371 3.793 30 20 BHED CC(C)[C@H](c1ccccc1)N(C)CC1(C#N)CC1 343316502 SLCDPHINGXQCJB-OAHLLOKOSA-N 242.366 3.619 30 20 BHED C=CCCC1(C(=O)Nc2ccccc2C)CC1 353308255 BHZRVZCZLMYPHT-UHFFFAOYSA-N 229.323 3.680 30 20 BHED C=CC(C)(C)C(=O)N(C)[C@H](C)C1CCCCC1 410839661 CRRVQJZAZCDDJO-GFCCVEGCSA-N 237.387 3.626 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H](CC)C1CCCC1 411057210 AHQOBGHFIPIWQS-ZDUSSCGKSA-N 237.387 3.674 30 20 BHED N#CC1(CCN2C[C@H]3CCC[C@@H]3C2)CCCCC1 411317691 OWZGRFQRRZFSFM-HUUCEWRRSA-N 246.398 3.582 30 20 BHED C=CCN(C)C(=O)Nc1ccc(C2CC2)c(C)c1 429530535 PXZRRWMUEKQAMJ-UHFFFAOYSA-N 244.338 3.522 30 20 BHED COc1ccc(C#N)cc1CSCCC1CC1 437933635 AASLVWAFSOPCEO-UHFFFAOYSA-N 247.363 3.600 30 20 BHED CC(C)c1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 442851565 FHEFJSUBYVTQLK-SWLSCSKDSA-N 228.339 3.914 30 20 BHED C=C(CC)CN[C@H]1CCC[C@@H]1c1ccccc1 446001317 JQPVARLLNUEFAC-CVEARBPZSA-N 229.367 3.879 30 20 BHED C=C(C)CCN[C@@H](C)Cc1ccccc1SC 449476883 NVOHPAOVZCSSFT-ZDUSSCGKSA-N 249.423 3.895 30 20 BHED C=C(C)CN(CC)Cc1ccc(C)c(F)c1 505897889 JJAYDXXDIKLRAA-UHFFFAOYSA-N 221.319 3.532 30 20 BHED C=C(C)CCN1CCC[C@@H]1c1ccc(F)cc1 509840912 WNSXEFGKOUBYIS-OAHLLOKOSA-N 233.330 3.929 30 20 BHED CC#CCN[C@H](CCCC)c1ccc(OC)cc1 539305278 IMMWCOQGQVLYDI-MRXNPFEDSA-N 245.366 3.539 30 20 BHED C=CCCCC[C@H](C)NCc1ccccc1OC 553612371 YUHZZRDSIIACTC-AWEZNQCLSA-N 247.382 3.920 30 20 BHED C=C[C@@H](C)N[C@H]1CCc2cc(F)c(Cl)cc21 623904341 AOYQTUXXMZFIIU-OQPBUACISA-N 239.721 3.631 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)Cc1ccccn1 655835472 YPEZJCWWXADKQR-CABCVRRESA-N 246.398 3.737 30 20 BHED C=CC[C@H]1CCCC[C@@H]1NCCC(C)(F)F 658022715 CXJOXOIYJDLNDE-RYUDHWBXSA-N 231.330 3.756 30 20 BHED C#CCN(C(=O)[C@H](C)CCCC)C1CCCCC1 688849218 KMEHSGWIGTWWBW-CQSZACIVSA-N 249.398 3.607 30 20 BHED CC#CCOC(=O)[C@H](CC)CCCCCC 745054510 ZARSHXWAFGYPNG-CYBMUJFWSA-N 224.344 3.550 30 20 BHED CC[C@@H](C)CON=C(C)c1sc(C)nc1C 764544530 KODZEODRSLJOJG-MRVPVSSYSA-N 240.372 3.547 30 20 BHED C[C@H](NN=C1CCC[C@H](C2CC2)C1)C(C)(C)C 793114822 NUWKHCJVKYVYJW-AAEUAGOBSA-N 236.403 3.967 30 20 BHED CC(C)[C@H]1CCCC(=NOCc2cccnc2)C1 794522739 BLIRDLJDTRIURC-AWEZNQCLSA-N 246.354 3.800 30 20 BHED CCc1cccc(C)c1NN=C(COC)C(C)C 799494242 FXLAMHOXFXHXOQ-UHFFFAOYSA-N 248.370 3.628 30 20 BHED Clc1cccc(CNN=C2CCC23CCC3)c1 799881046 LEMSXWJCRYZNBQ-UHFFFAOYSA-N 248.757 3.750 30 20 BHED CCCCC(C)=NNc1nccnc1C1CCC1 807994117 MHKLBCKZRVXFNY-UHFFFAOYSA-N 246.358 3.722 30 20 BHED Cl/C=C/CON=C1CC[C@@H]1c1ccccc1 811669354 DIPPLAKKWWPXQL-CVILXEHYSA-N 235.714 3.689 30 20 BHED CC(C)OCCON=CC[C@@H](C)c1ccccc1 812238349 SWXTUAXGSVCSDN-CQSZACIVSA-N 249.354 3.608 30 20 BHED CC(CC(C)(C)C)=NNc1cccc(Cl)n1 834981782 ZQSDUHJKIVRUJK-UHFFFAOYSA-N 239.750 3.959 30 20 BHED CCCCCCCC(=O)NC1(C)CC=CC1 847153167 SJCKVAKQUAABFR-UHFFFAOYSA-N 223.360 3.572 30 20 BHED CC[C@H](C)n1cc(-c2cccc(C)c2C#N)cn1 863690110 KMQKDSMUKDABLT-LBPRGKRZSA-N 239.322 3.701 30 20 BHED F[C@@H]1CCCC1=NNc1nccc2sccc12 872344706 VZNDFOVJHPQLLC-SECBINFHSA-N 249.314 3.586 30 20 BHED N#C[C@H]1CC[C@@H](Nc2ccc(C(F)F)cc2)C1 897107253 RZEGKHIOCVMAFL-JOYOIKCWSA-N 236.265 3.728 30 20 BHED CCCCCCC(C)=NNc1cc(C)nc(C)n1 915967704 KGNCGNCYIKLCGU-UHFFFAOYSA-N 248.374 3.852 30 20 BHED C=C(C)CCC(=O)O[C@@H](c1ccccn1)C(C)C 1122680782 MMSILTQXGLGCDZ-OAHLLOKOSA-N 247.338 3.678 30 20 BHED C[C@@H]1CCCC[C@@H]1CSc1ccc(C#N)cn1 1651757832 ZDZLXYUSDRBJGY-DGCLKSJQSA-N 246.379 3.872 30 20 BHED CC[C@@H](C)Nc1cccc(OCCCC#N)c1 37777422 PVBJWSPKRGQVLM-GFCCVEGCSA-N 232.327 3.580 30 20 BHED CCCCCCCN[C@H](C)c1ccccn1 59090601 RBYPAZLCYJDVBG-CYBMUJFWSA-N 220.360 3.703 30 20 BHED C=CCCNC(c1ccccc1)c1ccccc1 71275403 AITBFWJXLPEWII-UHFFFAOYSA-N 237.346 3.942 30 20 BHED C[C@H](c1ccccc1)N(CCC#N)CC1CCC1 77372587 IPBXDMBPKHKBDK-CQSZACIVSA-N 242.366 3.763 30 20 BHED C#CCCCCN[C@H]1CCCc2sccc21 90397782 ITELOUJWONFBGC-ZDUSSCGKSA-N 233.380 3.519 30 20 BHED C=CCCOCCN[C@H](c1ccccc1)C(C)C 91406725 NQXWXHXKHGGODS-INIZCTEOSA-N 247.382 3.566 30 20 BHED C=CCC[C@@H](CCC)N[C@@H]1CCOC(C)(C)C1 119325982 NATNTYMAONGLPN-ZIAGYGMSSA-N 239.403 3.669 30 20 BHED C#CCCCCC(=O)N[C@H]1CCC[C@H]1CCCC 119798158 KMGCXZIBVMGHKM-CABCVRRESA-N 249.398 3.655 30 20 BHED CC[C@@H](CC#N)NCCc1ccc(C(C)C)cc1 124259703 MXMHDEQBAPCOFG-INIZCTEOSA-N 244.382 3.634 30 20 BHED CCCCCCC[C@H](C)N[C@H](C)[C@@H]1CCOC1 136464767 IDKBFBYUXDCIFL-RRFJBIMHSA-N 241.419 3.750 30 20 BHED CCCCCCCCNCc1ccc(C)cn1 167608927 JJBSNPBNHQEUFG-UHFFFAOYSA-N 234.387 3.840 30 20 BHED C=C(C)CN(C)[C@H](C)CCc1ccccc1 194970550 MQBUWRHMMKFQLY-CQSZACIVSA-N 217.356 3.516 30 20 BHED C=CCN[C@H](C)c1csc2ccccc12 200957988 QUHWEPUSSDJUFJ-SNVBAGLBSA-N 217.337 3.738 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1cnn(C(C)C)c1 293680238 KHMCQAPDVNZZEC-ZDUSSCGKSA-N 249.402 3.717 30 20 BHED C=C(CC)CN[C@H](CC(F)(F)F)C(C)C 309122673 OMGWYTBCWKGVOU-SNVBAGLBSA-N 223.282 3.519 30 20 BHED C=C(C)CN[C@H](c1ccccc1)C(C)(C)C 309687579 OPQNEXLJDLBLFL-CQSZACIVSA-N 217.356 3.940 30 20 BHED C=C(CC)CN[C@H](C)c1sccc1C 313498764 GPURNJVHIBCQMP-LLVKDONJSA-N 209.358 3.673 30 20 BHED CCC[C@@]1(C)CCCN([C@H](C)CCC#N)C1 411294618 ILMPIYZATXHHCC-KGLIPLIRSA-N 222.376 3.581 30 20 BHED C=CC(C)(C)C(=O)N[C@H]1CCC[C@H]1C(C)(C)C 412826651 QZEWHVBEPNACAP-NEPJUHHUSA-N 237.387 3.530 30 20 BHED Cc1ccccc1[C@@H](C)SCCC#N 413012734 MVLZYQREQDRGAK-LLVKDONJSA-N 205.326 3.703 30 20 BHED C=C(C)C(C)(C)C(=O)NCCC(C)(C)C1CC1 424856522 VQSPLYPCZLAUCD-UHFFFAOYSA-N 237.387 3.531 30 20 BHED C=CCN(C)Cc1cc(Cl)sc1Cl 449257118 HEDWDSCYGDNYOM-UHFFFAOYSA-N 236.167 3.673 30 20 BHED C=C(C)CCSCc1ccc([N+](=O)[O-])cc1 506381614 MXVGXQOZWCCVMO-UHFFFAOYSA-N 237.324 3.794 30 20 BHED C=C(CC)CN(CC)CCc1cccs1 539103315 DAKYYOIHTKZCPM-UHFFFAOYSA-N 223.385 3.579 30 20 BHED C=CCC(CC=C)C(=O)N1CC[C@H](C(C)(C)C)C1 543172153 FAXUUQRNVZWHOP-AWEZNQCLSA-N 249.398 3.649 30 20 BHED C=CCCC[C@H](C)NCCCc1cnccc1C 579776535 SDYHTEGJKWZSHZ-HNNXBMFYSA-N 246.398 3.657 30 20 BHED CC[C@H]1CC[C@@H](C)N1Cc1ccc(C#N)c(C)c1 580012822 OQPAIZKMBRPHBW-CJNGLKHVSA-N 242.366 3.630 30 20 BHED CCCC[C@H](C)C(=O)Nc1ccccc1CC#N 580122110 NAUFXQGJUXYFIH-LBPRGKRZSA-N 244.338 3.517 30 20 BHED C=CCCC[C@H](C)NC(=O)N(C)C(C)(C)CC 684915976 LCQQXFXGLOCKKB-LBPRGKRZSA-N 240.391 3.561 30 20 BHED Cc1cccc(C=NNc2cccc(F)c2)c1C 731151570 LGIOZGOALKRFGT-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C#CCOC(=O)[C@@H](CCC)CC1CCCCC1 733608852 PXRHITALHGAJAM-AWEZNQCLSA-N 236.355 3.550 30 20 BHED CCCCCCCCn1c(C)csc1=O 733750958 OWNKCNRYPHIFBA-UHFFFAOYSA-N 227.373 3.579 30 20 BHED CCCCCCCN1CCC[C@@H](COCC)C1 740877748 DVSWQSFZWOWKPY-OAHLLOKOSA-N 241.419 3.705 30 20 BHED C=CCOc1ccc(OC(=O)[C@@H](C)CCC)cc1 742861793 FYTOGBLOFFERLA-LBPRGKRZSA-N 248.322 3.593 30 20 BHED C=CCCCC(=O)N[C@@](C)(CC)c1ccccc1 748539478 QQNGYVVEGLEVJX-INIZCTEOSA-N 245.366 3.784 30 20 BHED C#CCCCN1CC[C@@H]1c1ccc(Cl)cc1 766905935 NJJZZJUFSAQFFC-CQSZACIVSA-N 233.742 3.500 30 20 BHED C=CC[C@H]1N(C(=O)C=C(C)C)CCCC1(C)C 767218792 KYBKWKDZDRSGAG-CYBMUJFWSA-N 235.371 3.546 30 20 BHED CC(C)(C)C1CCC(C=NNCC(F)F)CC1 783844874 FNIURIBZAOAQHO-UHFFFAOYSA-N 246.345 3.679 30 20 BHED C=CCCCCC[C@H](C)Nc1cnn(C)c1C 793551546 ZNSKOEPUPJWCTI-LBPRGKRZSA-N 235.375 3.665 30 20 BHED CC(=NNC1CC1)[C@@H](C)c1ccc(Cl)cc1 794535849 WOISVHYAFNOJQL-SECBINFHSA-N 236.746 3.571 30 20 BHED C[C@H]1CC(C)(C)CCC1=NNc1ncccc1F 794983456 BKGMTMWKPLWXPL-JTQLQIEISA-N 249.333 3.835 30 20 BHED C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)CCCCC 797998235 CYWCNUYDZDMVRX-ZNMIVQPWSA-N 239.403 3.526 30 20 BHED CCCC(=NN[C@H](C)C(C)(C)C)c1cccnc1 814938342 IXCFVQSWOWVVHY-GFCCVEGCSA-N 247.386 3.610 30 20 BHED CC(CCc1ccc(F)cc1F)=NOC(C)C 835002189 NEDMIESSUJAMKF-UHFFFAOYSA-N 241.281 3.698 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C\C1CCCC1 843573839 HDQDLYXOCJHAPD-HHQWOOOKSA-N 235.371 3.594 30 20 BHED C=CCn1cnnc1SCCCCCCC 1115849357 KVJYFBBTKGSNFW-UHFFFAOYSA-N 239.388 3.527 30 20 BHED C=CCC[C@H]1CCCN1C(=O)CC(C)(C)C1CC1 1120732951 BUAHMEYPQBYTQR-AWEZNQCLSA-N 249.398 3.770 30 20 BHED Cc1ccc2c(c1)OCCCC2=NOC(C)(C)C 1319583352 JJWZXPUBEPOBEQ-UHFFFAOYSA-N 247.338 3.687 30 20 BHED CCO[C@@H]1CC(=NOC(C)(C)C)C12CCCC2 1324559016 WSCSMRPUAWMDDD-GFCCVEGCSA-N 239.359 3.527 30 20 BHED C[C@H](Nc1cccc(C#N)n1)C1CCCCCC1 1472753892 OFSRYZUCEZHRQJ-LBPRGKRZSA-N 243.354 3.724 30 20 BHED Cc1ccc(C#N)c(Oc2ccc(C)c(C)c2)n1 43400247 JZOZCTWOPMQNLE-UHFFFAOYSA-N 238.290 3.671 30 20 BHED C[C@@H]1CC[C@@H](Nc2ccc(C#N)cc2)[C@H](C)C1 78466739 MLWBHSLQAKLDQD-LALPHHSUSA-N 228.339 3.795 30 20 BHED N#Cc1ccc(N[C@@H]2CC=CCC2)cc1Cl 80119906 CFQXLHXUONQJKA-LLVKDONJSA-N 232.714 3.732 30 20 BHED C[C@H](CC#N)N(C)Cc1cc2ccccc2s1 93090569 JDEPEMJQAXUSCN-LLVKDONJSA-N 244.363 3.635 30 20 BHED C=CCC[C@@H](C)NCc1ccc(Cl)cc1 96034265 WVYHKVOZMVQWJB-LLVKDONJSA-N 223.747 3.784 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 119353642 LOXIHRPFWXWGMY-VHSXEESVSA-N 241.281 3.513 30 20 BHED C=CCC(CC=C)C(=O)N(CC)c1ccccc1 122916989 XRSDOCZHSNIHER-UHFFFAOYSA-N 243.350 3.808 30 20 BHED CCCCSCc1cc(C#N)ccc1OC 128463894 QLGBCJNRZMBBID-UHFFFAOYSA-N 235.352 3.600 30 20 BHED C=C(C)CCNCC[C@H](C)c1ccccc1 168985681 AXFXPGRTOZWGGE-AWEZNQCLSA-N 217.356 3.736 30 20 BHED C#CCC(C)(C)C(=O)NCCCC1CCCCC1 185324414 AYLZKVSPXAAXND-UHFFFAOYSA-N 249.398 3.513 30 20 BHED Cc1ccc(NCc2cccc(C#N)c2F)cc1 223729727 UTJAOTHKGRNXRK-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CC[C@H](C)CSc1c(C#N)cccc1C#N 302883848 LGVCEDIKTUESNT-JTQLQIEISA-N 230.336 3.568 30 20 BHED C=CCCSc1nccn1-c1ccccc1C 303840109 SIDWJMGIOLPCHE-UHFFFAOYSA-N 244.363 3.849 30 20 BHED C#CCCCNc1c(Cl)ccc(F)c1C 309069709 CBJXBGARSASPMQ-UHFFFAOYSA-N 225.694 3.613 30 20 BHED CC(C)(CCC#N)CNCC1CCCCCC1 342310509 YAGQFFPNZSBZSR-UHFFFAOYSA-N 236.403 3.876 30 20 BHED C[C@@H](c1cccc(C#N)c1)N1[C@H]2CCC[C@H]1CC2 364795730 ZSZJZBFQBNCPLY-RCBQFDQVSA-N 240.350 3.636 30 20 BHED C#CCCCCN[C@@H](C)[C@@H](C)CCCC 380290706 BLKSQUIKXBQXIS-KBPBESRZSA-N 209.377 3.594 30 20 BHED CCCCCCCN[C@H]1CC[C@H]1C1CC1 389994069 PQJVGIYRMGPJKR-KBPBESRZSA-N 209.377 3.735 30 20 BHED CCCCCCCCN1CCC[C@H](CC#N)C1 397655038 JQUUITJARPLDFO-OAHLLOKOSA-N 236.403 3.973 30 20 BHED Cc1cc(CSCCC#N)c(C)s1 413009384 CMCPTZSVKFCIJK-UHFFFAOYSA-N 211.355 3.512 30 20 BHED C=CCCC(=O)NC[C@H](CCC)CCCC 440813547 MYQZBWDBJLLTIB-CYBMUJFWSA-N 225.376 3.675 30 20 BHED Cc1cc(CN2CCCC(C)(C)[C@H]2C#N)cs1 449283359 LLPYIXOWXWAKKI-CYBMUJFWSA-N 248.395 3.571 30 20 BHED C=CCCCC[C@@H](C)Nc1cccc(CCO)c1 449751515 CGCJDWCRXMXCCM-CQSZACIVSA-N 247.382 3.768 30 20 BHED C=CCN(C(=O)[C@H](C)C1CCC1)c1ccccc1 459930445 KRHAQORAEBBPGR-CYBMUJFWSA-N 243.350 3.642 30 20 BHED C=CCC[C@@H](CC)N[C@@H]1COc2ccc(F)cc21 468048200 FQRRGQDFBPIXBX-TZMCWYRMSA-N 249.329 3.594 30 20 BHED N#Cc1cccc(NC2CCC3(CC2)CC3)c1 486692253 BRSPCBWXMTZARB-UHFFFAOYSA-N 226.323 3.693 30 20 BHED N#CC1(CNC2CCC(=C3CCC3)CC2)CCC1 602697078 UIVCKUPWIXDPKV-UHFFFAOYSA-N 244.382 3.693 30 20 BHED CCCC[C@H]1CCC[C@H]1Nc1cccc(C#N)n1 609892598 NHHKVZHFWLGWCR-GXTWGEPZSA-N 243.354 3.724 30 20 BHED C=CCC[C@@H](CC)N[C@H](C)c1cccc(C#N)c1 610830087 CLHDCOURAXYENM-CZUORRHYSA-N 242.366 3.954 30 20 BHED C=C(C)CN(C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 671790759 BIBOUALRZVLCCV-SOUVJXGZSA-N 249.398 3.627 30 20 BHED CCC#C[C@H](C)N[C@H](C)[C@H](C)c1ccccc1 680385116 WZHGWTMOTMGFOL-SOUVJXGZSA-N 229.367 3.570 30 20 BHED CC#CCOC(=O)[C@H](CCC)CC1CCCC1 745026261 NSDLZCUNJBPZIL-CQSZACIVSA-N 236.355 3.550 30 20 BHED CC(=NOCC(F)(F)F)C1C(C)(C)C1(C)C 746578636 PGXWMGXWVYASBX-UHFFFAOYSA-N 237.265 3.623 30 20 BHED CC1(C)CCCC1=NNc1cccc(C#N)c1 749857620 DEFJZJVPVYZBFU-UHFFFAOYSA-N 227.311 3.536 30 20 BHED CCc1cnccc1C(=O)/C=C\c1ccsc1 766772006 NVBQLRWGTOGZFK-ARJAWSKDSA-N 243.331 3.602 30 20 BHED C=CCN(CC=C)C(=O)C=C(CCC)CCC 770565827 KQRDMWMILRLNKM-UHFFFAOYSA-N 235.371 3.714 30 20 BHED C#CCCN[C@@H](c1ccc(F)cc1)C1CCCC1 775175625 DENVJRODGHFZRH-MRXNPFEDSA-N 245.341 3.670 30 20 BHED C[C@@H]1CCC(=NOC2CCCC2)[C@H](C)C1 783858823 GJHLFKCYYSSDSC-GHMZBOCLSA-N 209.333 3.758 30 20 BHED CCCCCCCC(=O)OCc1cncc(C)c1 785667295 NGEHPBPFCSEHNL-UHFFFAOYSA-N 249.354 3.794 30 20 BHED CCC[C@@H](C)C(CC)=NOC/C=C/Cl 811667979 IJNBCIVHBMGEBH-XYXWJLOOSA-N 217.740 3.958 30 20 BHED CC1(C)CC(=NOC2CCC2)c2ccccc2O1 812235581 YIIGAXZAULCLJX-UHFFFAOYSA-N 245.322 3.521 30 20 BHED CCC(C=NNC1CCCC1)(CC)CC 814832425 DZXYJCMYIUPXFJ-UHFFFAOYSA-N 210.365 3.721 30 20 BHED Cc1ccc([C@H](C)C=NOC2CCC2)cc1 863114196 DBIDWXGVADPWNY-GFCCVEGCSA-N 217.312 3.653 30 20 BHED CC[C@@](C)(NCC1(CC#N)CC1)c1ccccc1 878361919 IUVWCRIFRYCKEQ-OAHLLOKOSA-N 242.366 3.595 30 20 BHED C=C(C)CNc1ccccc1OCC(F)(F)F 896968204 FRQRIAUAZFUBKL-UHFFFAOYSA-N 245.244 3.616 30 20 BHED COC[C@H](S[C@H](C)CCC#N)c1ccccc1 901662235 IKXLMIYOUBJXGJ-OCCSQVGLSA-N 249.379 3.800 30 20 BHED C=CCN(C/C=C\c1ccccc1)C(C)C 917068772 BFHDJDFDONQDHH-FLIBITNWSA-N 215.340 3.596 30 20 BHED C=C[C@@H](CC)CC(=O)N(C)Cc1ccccc1C 929300872 QAEXRRMXRBBAKN-AWEZNQCLSA-N 245.366 3.556 30 20 BHED C=C[C@H](CC)CC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 935323150 CHUXHFPTESGGJQ-GBJTYRQASA-N 249.398 3.626 30 20 BHED C[C@@H]1CCC[C@H](CCN2CCC[C@](C)(C#N)C2)C1 1192452553 LQVGHUFJGDVJMS-BZUAXINKSA-N 248.414 3.828 30 20 BHED C=C(CC)C(=O)Nc1ccc(Cl)cc1C 1263702800 ZPFNVUYYNNVFRF-UHFFFAOYSA-N 223.703 3.553 30 20 BHED C=C(C)CCC(=O)N(C)C[C@H](C)c1ccccc1 1336953692 ICVOMOIEJYWHSB-AWEZNQCLSA-N 245.366 3.605 30 20 BHED C=C(Cl)CN1CC[C@H](c2ccc(C)cc2C)C1 1645499129 PGQJUTJDRYNKDM-AWEZNQCLSA-N 249.785 3.845 30 20 BHED N#Cc1ccc(NCc2ccccc2)cc1Cl 36963966 WULOFIXFYMTSOS-UHFFFAOYSA-N 242.709 3.824 30 20 BHED C#Cc1cccc(NC/C=C/c2ccccc2)c1 51789785 HNQQFKUSPACTQU-YRNVUSSQSA-N 233.314 3.793 30 20 BHED C[C@H](N(C)Cc1cc(C#N)ccc1F)C(C)(C)C 55481935 NKRIXTZSDLOVMK-NSHDSACASA-N 248.345 3.564 30 20 BHED CCCCCCN(C)Cc1cccc(C#N)c1 61948132 YYBBIQLIFTVFKM-UHFFFAOYSA-N 230.355 3.570 30 20 BHED C#CCCCOc1cccc(C(C)C)c1 75421176 NMKTZMYKHNWCHJ-UHFFFAOYSA-N 202.297 3.602 30 20 BHED C=C(CC)COc1cc(C)ccc1C(C)=O 85059197 MMPHCUIVIRINMW-UHFFFAOYSA-N 218.296 3.543 30 20 BHED C=CCNc1cc(NC(=O)C(C)(C)C)ccc1C 89105429 CMTDKGYZRFYQAZ-UHFFFAOYSA-N 246.354 3.578 30 20 BHED C=CCCC(=O)Nc1ccc(O[C@H](C)CC)cc1 102239529 AVRZPCKJBFYTGY-GFCCVEGCSA-N 247.338 3.769 30 20 BHED C=CC[C@H](C)NC(=O)Nc1c(C)cccc1CC 116996207 VLOPZRSPLGXYCE-LBPRGKRZSA-N 246.354 3.644 30 20 BHED C#CCCCCN[C@@H]1CCCC[C@@H]1C(C)C 130736107 VUPMQSLFTONLLP-HUUCEWRRSA-N 221.388 3.594 30 20 BHED C=C[C@H](C)N[C@@H]1CCCc2c(Cl)cccc21 134928448 IKRHWOPBNNURGM-IINYFYTJSA-N 235.758 3.882 30 20 BHED CC(C)CC[C@H]1CCCN1CCCCC#N 135304923 UEYQVWPESQCBLN-CQSZACIVSA-N 222.376 3.581 30 20 BHED Cc1ccc(C)c(N[C@@H]2CCC[C@H](C#N)C2)c1 185734799 JNSOZNFWLMABMF-UONOGXRCSA-N 228.339 3.798 30 20 BHED C=CCC1(C(=O)N2CCCCCCC2)CCC1 191624808 OJWURQLYSGHTEM-UHFFFAOYSA-N 235.371 3.526 30 20 BHED CCCCCCCCCN[C@H]1CCO[C@H](C)C1 223017245 SKXJIUXXHLSZBG-CABCVRRESA-N 241.419 3.894 30 20 BHED CCCNc1ccc(C#N)cc1NCCCCF 285022332 DDELBUNRJHRTAQ-UHFFFAOYSA-N 249.333 3.542 30 20 BHED N#C[C@@H]1CC[C@H](Sc2ccc(Cl)cn2)C1 287476243 IKMDWPPFCNYQFV-SCZZXKLOSA-N 238.743 3.519 30 20 BHED C=C(C)CNc1c(C)cc(C)cc1Cl 306313948 PBSYIEAVCJEQGW-UHFFFAOYSA-N 209.720 3.945 30 20 BHED C[C@H]1CCCC[C@H]1NC1CCC(C)(C#N)CC1 336207995 MOKHLHRHWUSWGU-FGZQJIAISA-N 234.387 3.627 30 20 BHED C=CCCCCN[C@H](C)c1cc(F)ccc1O 383469255 PCCUFEHZTKNGBM-LLVKDONJSA-N 237.318 3.538 30 20 BHED CCCSCCC1(C#N)CCCCC1 419393838 VFOKFZXOAWENCN-UHFFFAOYSA-N 211.374 3.994 30 20 BHED CN(CC#Cc1ccc(Cl)cc1)CC(C)(C)C 426468478 MTDNEIIVOLYRBP-UHFFFAOYSA-N 249.785 3.669 30 20 BHED C=CCC[C@H](NCc1cccc(C)c1)C1CC1 439077406 LDXFODVIQDYMCR-INIZCTEOSA-N 229.367 3.829 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(F)c(Cl)c1 448563677 ZEBAXMYMMVAWKR-UHFFFAOYSA-N 241.693 3.630 30 20 BHED Cc1ccccc1CSCC1(C#N)CCC1 450599546 SPWIAMLJUMVBTG-UHFFFAOYSA-N 231.364 3.922 30 20 BHED C=CC(C)(C)c1nc(-c2cc(C)ccc2F)no1 453174025 IXLIKQAQOISVQI-UHFFFAOYSA-N 246.285 3.648 30 20 BHED C=CCCN(C)C(=O)[C@H](C)CC1CCCCC1 466644568 ZWTKCWJXFYYTGL-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=C(CC)CN(CC)[C@H](C)Cc1ccsc1 495248180 LQGJECMEHHYKAN-CYBMUJFWSA-N 237.412 3.967 30 20 BHED C=CCCCOc1ccc(SC)cc1 525365190 PCOQIQHTBZESEL-UHFFFAOYSA-N 208.326 3.754 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@@H](C)CC(C)C 539437504 ZJMGAASAXHPDPP-KBPBESRZSA-N 239.403 3.920 30 20 BHED C=CCC(C)(C)c1noc([C@@H](C)CCC)n1 568906438 QCKJGGRDLMZWRC-JTQLQIEISA-N 222.332 3.827 30 20 BHED C=C(C)CCNc1ccc2c(c1)C(=O)CCC2 571683045 YLBIEOWWEGOMLR-UHFFFAOYSA-N 229.323 3.584 30 20 BHED C=CCCCC[C@@H](C)NCc1ncccc1C 577410149 DQFGZXAIQLLNDZ-CQSZACIVSA-N 232.371 3.615 30 20 BHED C[C@H](CCC#N)CNc1cccc2cc[nH]c12 602616896 RFEWTGXKJMKGKA-LLVKDONJSA-N 227.311 3.520 30 20 BHED C=CCCNC[C@@H](C)c1cccc(Cl)c1 657583058 WPJOEHFRZNCTHJ-LLVKDONJSA-N 223.747 3.609 30 20 BHED C=CCCN[C@H]1C[C@H](c2ccccc2)C1(C)C 658112990 CDUOBOIBJLXPES-CABCVRRESA-N 229.367 3.734 30 20 BHED Cc1ccc(CNc2cccc(C#N)c2)c(F)c1 686492454 XQWQPBYZTCVZRM-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C#CCCCOc1ccc(Cl)c2cccnc12 686890167 WEHKLTMJVCVXSN-UHFFFAOYSA-N 245.709 3.680 30 20 BHED CC(C)C(CN[C@@H](C)CC(C)(C)C#N)C(C)C 709960108 PDDUNOJVVHLDRR-ZDUSSCGKSA-N 238.419 3.833 30 20 BHED CC(Cc1cccs1)=NNc1ccccc1 729631934 NLXTXQODAGQMNH-UHFFFAOYSA-N 230.336 3.779 30 20 BHED CC(Cc1ccsc1)=NNc1ccc(F)cc1 729632795 JMJKBNJUTSGXLO-UHFFFAOYSA-N 248.326 3.918 30 20 BHED C=CCCCOC(=O)C[C@@H](CC)C(C)C 735532695 IWDNUGKFDQVFOB-GFCCVEGCSA-N 212.333 3.568 30 20 BHED CCCCNN=C(C)[C@H](C)c1ccccc1 746369688 ZQFCJXJEEAFKLU-LBPRGKRZSA-N 218.344 3.556 30 20 BHED CC(=NO[C@H]1CCCCO1)c1cc(C)ccc1C 755817344 KGXBFZDTECQHGL-HNNXBMFYSA-N 247.338 3.571 30 20 BHED C#CCCCCNCc1c(C)cc(Cl)cc1C 756987564 LKSLZSIEZHRNQN-UHFFFAOYSA-N 249.785 3.850 30 20 BHED C=C[C@@H](C)NC(=O)C[C@H](C)CCCCCC 757010019 GIAJTBCICUMFDV-CHWSQXEVSA-N 225.376 3.674 30 20 BHED C=C[C@H](C)NC(=O)[C@H](CCCCC)C(C)C 757012527 KIVVEYOMWJGWFC-QWHCGFSZSA-N 225.376 3.530 30 20 BHED CC(=NNC1CC1)c1cc2cc(Cl)ccc2o1 758126799 IFIOBYGUYDAMHG-UHFFFAOYSA-N 248.713 3.562 30 20 BHED C=CCN(Cc1ccc(Cl)c(F)c1)C(C)C 768549750 DBEZHJWWJWLMCC-UHFFFAOYSA-N 241.737 3.876 30 20 BHED CC1=CCC[C@H](C)[C@H]1C=NOCC(F)(F)F 773207808 LZBITHUYFDWOID-UWVGGRQHSA-N 235.249 3.544 30 20 BHED CCCCCCCCN1CC=C(COC)CC1 775828032 VRRCTQWBLXPDOV-UHFFFAOYSA-N 239.403 3.625 30 20 BHED C#CCCCOc1cc(Cl)cc2cccnc12 776749007 DQEFUMZWNZAOIZ-UHFFFAOYSA-N 245.709 3.680 30 20 BHED Cc1ccccc1[C@H](C)SCCO[C@@H](C)C#N 802753334 YRBWOASLMBIJGC-STQMWFEESA-N 249.379 3.718 30 20 BHED CC[C@@H]1CCC1=NNCc1cccc(Cl)c1 807977743 YTAOWVRJIRZWHW-LLVKDONJSA-N 236.746 3.606 30 20 BHED C#CCOCSc1c(Cl)cccc1Cl 814718969 SHLWGCBXSNRPQZ-UHFFFAOYSA-N 247.146 3.693 30 20 BHED CCc1cccc(C)c1NN=C1CCS[C@H]1C 814923894 ZXTJIKNKIHIVED-NSHDSACASA-N 248.395 3.851 30 20 BHED Cc1cccc(CON=Cc2ccccc2C)c1 836493479 LXYWLFIELKPNTP-UHFFFAOYSA-N 239.318 3.854 30 20 BHED N#C[C@H]1CCC[C@@H](OC(=O)C=C2CCCCC2)C1 839046874 BDFUFMMGTKTNNM-UONOGXRCSA-N 247.338 3.502 30 20 BHED CCCCCC[C@@H](C)NCC1(C#N)CCC1 841898268 LIYXCMWHOGOGJN-CYBMUJFWSA-N 222.376 3.629 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C=C\C1CCCC1 843573841 HDQDLYXOCJHAPD-YLGBQOPLSA-N 235.371 3.594 30 20 BHED CCC(CC)=NNc1cc(F)ccc1C 853393693 PKDOWCSNAHTGID-UHFFFAOYSA-N 208.280 3.722 30 20 BHED C=CCCC(C)(C)NC(=O)C=C(CC)CC 856373815 AGCTZCURNVSCHA-UHFFFAOYSA-N 223.360 3.594 30 20 BHED C=CC(C)(C)CC(=O)Nc1c(C)cccc1OC 890262184 JFXJRQPKZSMNRB-UHFFFAOYSA-N 247.338 3.544 30 20 BHED CC[C@@H](NCCC(C)(C)F)c1cccc(C#N)c1 903051317 INJXRFMOMJHJAV-CQSZACIVSA-N 248.345 3.737 30 20 BHED C(=NNc1cccc2c1CCCC2)c1ccco1 917553128 SKZQABUAFIKDSZ-UHFFFAOYSA-N 240.306 3.604 30 20 BHED C=CCCCN[C@@H](C)c1cc2ccccc2[nH]1 926323541 JKXDTYXXNNZYLT-LBPRGKRZSA-N 228.339 3.785 30 20 BHED C[C@H]1CC[C@@H](C)N1CCCCC1(C#N)CCC1 929829411 QZSPNSFFEBYBMD-OKILXGFUSA-N 234.387 3.723 30 20 BHED Cc1cc(C)cc(/C=C/c2cc(C#N)ccn2)c1 1339547223 AUBFBHLKOFVFMG-ONEGZZNKSA-N 234.302 3.741 30 20 BHED Cc1ncccc1CSCCC(C)(C)C#N 1343587651 FAXFDCYSDHQWLL-UHFFFAOYSA-N 234.368 3.563 30 20 BHED CCCCN(CCC)Cc1ccc(C#N)cc1 61001591 IHSQHFCVOYXMNG-UHFFFAOYSA-N 230.355 3.570 30 20 BHED COCc1ccccc1NCCCC(C)(C)C#N 87597720 XIXIBNKMIZSWAK-UHFFFAOYSA-N 246.354 3.575 30 20 BHED C#Cc1ccccc1-c1cc(C)cc(C)c1 98181103 BWRYCGOQAJHWEG-UHFFFAOYSA-N 206.288 3.952 30 20 BHED Cc1ccc(C(=O)/C=C\c2ccc(C#N)cc2)cc1 108148650 KDFIDEMXURYTFD-FLIBITNWSA-N 247.297 3.763 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc(F)cc1Cl 119325941 BSWCQIWZTHSCCQ-DTWKUNHWSA-N 227.710 3.704 30 20 BHED C=CCC[C@@H](NC[C@@]1(C)CCCS1)C1CC1 121655592 ZKKBIMLVOXGRJW-ZIAGYGMSSA-N 239.428 3.607 30 20 BHED Cc1ccc(F)c(CNc2ccc(C#N)cc2)c1 123950416 JTSUXRSXCPLJTK-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=CCC[C@@H](C)NCC(C)(C)c1ccccc1 130549166 PTGYYDSGEJYKPX-CQSZACIVSA-N 231.383 3.909 30 20 BHED CC#CCN[C@@H](C)c1cccc(Cl)c1Cl 131608813 UUILSYGDHOPYFF-VIFPVBQESA-N 242.149 3.667 30 20 BHED N#Cc1ccc(C(=O)/C=C/c2ccsc2)s1 134497879 XHAWMXITQACMRH-HNQUOIGGSA-N 245.328 3.577 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccccc1Cl 136203243 WWRIRBHENZTRFH-ZJUUUORDSA-N 209.720 3.565 30 20 BHED CC1(C(=O)OCC2(C#N)CCC2)CCCCCC1 183873435 XPVMHVUSJPJYAI-UHFFFAOYSA-N 249.354 3.584 30 20 BHED C=CCCCC(=O)N(C)C[C@H](C)c1ccccc1 267199202 QFPPMQMTASSPTA-AWEZNQCLSA-N 245.366 3.605 30 20 BHED C[C@H](N[C@@H]1CCC[C@@H]1C)c1ccc(C#N)c(F)c1 271982106 XEBLFEKYAODMQL-ZIBATOQPSA-N 246.329 3.537 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccsc1 281461036 DUXOALNYEHRTDA-ZYHUDNBSSA-N 209.358 3.753 30 20 BHED C=CC(C)(C)C(=O)NCC[C@H](C)c1ccccc1 294638081 SXIRPGDYLSHJQI-ZDUSSCGKSA-N 245.366 3.509 30 20 BHED C=CCC[C@H](NCCC(C)(C)C)C1CC1 309085925 XMMOZOIHYNRWLO-ZDUSSCGKSA-N 209.377 3.757 30 20 BHED C=CCCCCCCCNC1CCSCC1 309316558 DEUCHYBLSUAHLH-UHFFFAOYSA-N 241.444 3.998 30 20 BHED C[C@H]1CC[C@@H](C)C[C@@H]1Nc1cccc(CC#N)c1 313419330 AAGOQQDGPGUYPP-WWGRRREGSA-N 242.366 3.989 30 20 BHED C#C[C@](C)(CC)NCc1ccc(C(F)F)cc1 384138897 CUALGKATEMPAJQ-CQSZACIVSA-N 237.293 3.516 30 20 BHED C=CC[C@@H](CC)N[C@H]1Cc2ccc(Cl)cc2C1 393788970 XPVRXSGXMOJIMP-CABCVRRESA-N 249.785 3.752 30 20 BHED CC(C)C[C@@H]1CCCN1Cc1ccccc1C#N 396930867 XXKTWXHGXUYAER-INIZCTEOSA-N 242.366 3.569 30 20 BHED C=CCCC[C@@H](C)NCc1nc(C)c(C)s1 398228099 RAAAKYOVGPTIMC-SNVBAGLBSA-N 238.400 3.594 30 20 BHED C=CCCCC[C@@H](C)NC[C@@H]1CCCSC1 449332832 SUEPTCRHPCEXNR-KGLIPLIRSA-N 241.444 3.854 30 20 BHED C=CC(C)(C)C(=O)N1CCC[C@](C)(CCC)C1 449997812 FVMBDRDYYFARGA-HNNXBMFYSA-N 237.387 3.627 30 20 BHED C=CCC(C)(C)CN[C@@H](CC)c1ccncc1 453244840 STUBKXWBNGXPKF-AWEZNQCLSA-N 232.371 3.725 30 20 BHED CC#CCOc1ccc(Cl)c(C(F)(F)F)c1 463045129 QROUQYKOWGIUPW-UHFFFAOYSA-N 248.631 3.761 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 467919998 QVISJXORYPSAMO-KYEXWDHISA-N 237.387 3.530 30 20 BHED C=C(C)COc1cc(C)nc2ccc(OC)cc12 504273626 TXJVUSNHNCBKCF-UHFFFAOYSA-N 243.306 3.507 30 20 BHED C=CCN(CC=C)Cc1cccc(Cl)c1F 505872456 NMUSYBGSWUOICH-UHFFFAOYSA-N 239.721 3.653 30 20 BHED C=C1CCN(CCc2ccccc2Cl)CC1 521252211 DIWRWRVUDRZTBE-UHFFFAOYSA-N 235.758 3.535 30 20 BHED C=CCC(C)(C)c1noc(C(C#N)(CC)CC)n1 528203347 XJMTWRVWEAXNHH-UHFFFAOYSA-N 247.342 3.505 30 20 BHED CN(CC1(C#N)CC1)C1CCC(C(C)(C)C)CC1 537211034 HZBZJILRDSLMCS-UHFFFAOYSA-N 248.414 3.827 30 20 BHED C=CCCCCCN[C@@H](C)c1cnn(C(C)C)c1 562330355 GZHZYTYBYDXRTL-AWEZNQCLSA-N 249.402 3.861 30 20 BHED C=CCCSCCN[C@H]1CCCC12CCC2 595060160 SSCFLBKLHWASGS-ZDUSSCGKSA-N 239.428 3.608 30 20 BHED C=CCCS[C@@H](C)c1ccccc1[N+](=O)[O-] 610315530 VRLXFOCYFWACQE-JTQLQIEISA-N 237.324 3.965 30 20 BHED CC#CCCCC(=O)Nc1ccc(F)c(CC)c1 672112410 YJRXSVJLXQQCQB-UHFFFAOYSA-N 247.313 3.520 30 20 BHED CC1(C)CCCC1=NNc1ccccc1[N+](=O)[O-] 749853076 BVIHOXICPQHTBR-UHFFFAOYSA-N 247.298 3.573 30 20 BHED Cc1ccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)s1 765928907 ORYYCWSZFTZJTL-RWMBFGLXSA-N 248.395 3.790 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C=C(\C)CCC 775925299 JNIGQYAXKLLSRN-XZHRJIJLSA-N 223.360 3.594 30 20 BHED CCC[C@@H](C)C(CC)=NNc1ccc(OC)cn1 780268467 JSKBJUJXNXOWBD-LLVKDONJSA-N 249.358 3.704 30 20 BHED CC(C)(C)CCON=Cc1cccs1 783552026 BUHHNOGABYXDEJ-UHFFFAOYSA-N 211.330 3.535 30 20 BHED C=CCCCCOC(=O)C1CCC(F)(F)CC1 811011583 DOJKWLCPCOQXTP-UHFFFAOYSA-N 246.297 3.711 30 20 BHED CC(C)OCCON=CCC1CCCCCC1 812239515 WPEHKBKXXKWLFR-UHFFFAOYSA-N 241.375 3.774 30 20 BHED CCC(=NOCCOC(C)C)c1cccc(C)c1 812240271 MXCBBEBYUIWCKE-UHFFFAOYSA-N 249.354 3.551 30 20 BHED C=CCC(C)(C)C(=O)N(C)c1ccc(C)cc1C 814105913 MEBVSLNTCCCAPR-UHFFFAOYSA-N 245.366 3.869 30 20 BHED CCC(=NNc1cc(Cl)ccn1)[C@H]1C[C@@H]1C 841632178 BYERVHVGZOBLOF-WPRPVWTQSA-N 237.734 3.569 30 20 BHED C#CCON=C1CC[C@H](c2cccc(Cl)c2)C1 841639531 SETRQEOSUDOFDK-LBPRGKRZSA-N 247.725 3.613 30 20 BHED Cc1ccc(CON=Cc2ccccc2C)cc1 852226690 LPVRJWRDADBSIY-UHFFFAOYSA-N 239.318 3.854 30 20 BHED CCCCCCCCC(=O)N1CC[C@H](CF)C1 881665405 FNPDLCZGWXFOFB-CYBMUJFWSA-N 243.366 3.555 30 20 BHED C=C1CCC(C(=O)N2CCC[C@H]3CCC[C@H]32)CC1 889233101 QLXYWCIJEIZGAU-UKRRQHHQSA-N 247.382 3.524 30 20 BHED Cc1cccc(C=NN[C@H](C)c2ccccc2)c1 920386327 XPXNQBPHJXMUKV-CQSZACIVSA-N 238.334 3.680 30 20 BHED C[C@@H](SCCCCC#N)c1cccnc1 1117542178 LFWQCFLDGLQHHS-LLVKDONJSA-N 220.341 3.570 30 20 BHED C[C@H](CC(C)(C)C#N)NC[C@H]1CCC[C@H]1C1CC1 1308820811 NZHKOPNXCYENRE-YUELXQCFSA-N 248.414 3.731 30 20 BHED Cc1ccc(NN=C[C@@H]2C[C@@H]2C)cc1Cl 1319265770 CKYTVQLVECQILB-UWVGGRQHSA-N 222.719 3.702 30 20 BHED C=CCC1(c2nnc(C(C)(C)C)o2)CCCC1 1326986361 QPZGUKNGIHCTOO-UHFFFAOYSA-N 234.343 3.755 30 20 BHED C=C(C)CCC(=O)N1CCC[C@@H](CC(C)C)C1 1346906798 BELCGAPNLBIHDY-AWEZNQCLSA-N 237.387 3.627 30 20 BHED CC(C)C[C@@H](C)Nc1cccc(F)c1C#N 36138811 IUTAUOVYUUBXNA-SNVBAGLBSA-N 220.291 3.544 30 20 BHED C[C@H](NCc1cccc(C#N)c1)C1CCCCC1 37748900 RZGMYPJWWZMISD-ZDUSSCGKSA-N 242.366 3.617 30 20 BHED C=CCSCc1ncc(-c2ccc(F)cc2)o1 41364276 DMBFSUDDQBCVSS-UHFFFAOYSA-N 249.310 3.900 30 20 BHED CCc1ccc(NC(=O)C(C#N)(CC)CC)cc1 44765036 VZONYGCTTKUGHM-UHFFFAOYSA-N 244.338 3.517 30 20 BHED CC(C)Sc1ccc(Cl)cc1C#N 52859950 XOCKCPIXLOLTHD-UHFFFAOYSA-N 211.717 3.712 30 20 BHED CC1(C)CCCN(Cc2cccc(C#N)c2)CC1 87657790 WTUBJMRNKJNJOB-UHFFFAOYSA-N 242.366 3.570 30 20 BHED C[C@H](N[C@@H]1CCCC1(C)C)c1cccc(C#N)c1 94321629 HJCSGKBTXUCVBV-SWLSCSKDSA-N 242.366 3.788 30 20 BHED C[C@@H](NCCCCC#N)C(C)(C)c1ccccc1 118955547 UHIMCPYPARJXOZ-CQSZACIVSA-N 244.382 3.636 30 20 BHED C=CCC[C@@H](NCc1ccc(OC)cc1)C1CC1 119798995 KNFIXLIMWYYVFI-MRXNPFEDSA-N 245.366 3.530 30 20 BHED C=CCC[C@@H](C)N[C@@H]1CCCc2occc21 126755597 YDWFNZGFGMSQRK-DGCLKSJQSA-N 219.328 3.601 30 20 BHED CC(C)(C#N)CCCSCCOC(C)(C)C 161670871 XMYYZGIVHLVIAT-UHFFFAOYSA-N 243.416 3.865 30 20 BHED C=C(C)CN[C@@H](C)c1cccc(N2CCCC2)c1 181891290 YECJFFQNCWYHTJ-AWEZNQCLSA-N 244.382 3.514 30 20 BHED C=CC[C@H](C)[C@H](C)Nc1ccc(CC#N)cc1 184745817 UIHKMQAWVBQVJO-STQMWFEESA-N 228.339 3.765 30 20 BHED CC(C)C1CCC(N[C@H]2CCC[C@H](C#N)C2)CC1 185862221 VRLNLWWGTQYLCV-LBDPXKHJSA-N 248.414 3.873 30 20 BHED C=C(C)CCNc1ccccc1OCCC 309627991 HAYAXJRTWQQZFE-UHFFFAOYSA-N 219.328 3.854 30 20 BHED CC[C@@H](CC#N)N[C@H]1CCCCC12CCCC2 310235116 ICBHSDMZVKMRKT-KBPBESRZSA-N 234.387 3.771 30 20 BHED CCc1ccc(Nc2ccc(C#N)c(C)n2)cc1 310855234 BHWMCTWEJAAMOD-UHFFFAOYSA-N 237.306 3.568 30 20 BHED C=CC[C@@H](CC)N[C@@H]1CCCc2c(O)cccc21 340535000 CPJOMGUXUDNTHJ-IUODEOHRSA-N 245.366 3.714 30 20 BHED CCCC1(CNCc2cccc(C#N)c2)CCC1 344830824 VOQOOLUKCIWAJY-UHFFFAOYSA-N 242.366 3.618 30 20 BHED C=CCCC1(C(=O)Nc2cccc(C)c2)CC1 353360474 ZGSTTXZHDPONON-UHFFFAOYSA-N 229.323 3.680 30 20 BHED C=CCCC1(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)CC1 361836210 DKZJVKZXAGBFPK-HZSPNIEDSA-N 249.398 3.626 30 20 BHED C=C(CC)CN[C@H](C)[C@H]1CC2CCC1CC2 381880408 KHIGHVGVEDGOLE-XSCHDIRWSA-N 221.388 3.757 30 20 BHED CC(C)CC[C@@H](C)NCc1ccc(C#N)c(F)c1 404071966 LXZZBEBMFJGCBB-GFCCVEGCSA-N 248.345 3.612 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C(CCC)CCC 410773414 CGKAIUPKJCNHIQ-CQSZACIVSA-N 237.387 3.770 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc(OC)cc1C 414105771 WSSFVWMHRVSIIF-OLZOCXBDSA-N 233.355 3.619 30 20 BHED CC[C@@H](NCC(C)(C)CC#N)c1ccc(C)cc1 414172155 VQKMUJMDGQILJQ-OAHLLOKOSA-N 244.382 3.976 30 20 BHED C=C(CC)CN[C@@H](C)C1CCC(F)(F)CC1 449735120 PKCQMAIADFWBLT-NSHDSACASA-N 231.330 3.756 30 20 BHED CCC1CCN([C@H](C)c2cccc(C#N)c2)CC1 490380879 VSYHZLXPAKAOIO-CYBMUJFWSA-N 242.366 3.741 30 20 BHED C/C(=C/c1ccccc1)CN(C)CCCCC#N 494261647 HKTWQAMQLLNPKW-SQFISAMPSA-N 242.366 3.716 30 20 BHED CC[C@@H]1CCC[C@H](CN2CCC[C@@H](CC#N)C2)C1 597176711 JJDRNQPGDNTPLY-PMPSAXMXSA-N 248.414 3.828 30 20 BHED N#C[C@@H](Sc1ccc(Cl)c(F)c1)C1CC1 601086189 PAGKXCPMDLVQDT-LLVKDONJSA-N 241.718 3.873 30 20 BHED C=CCCCN1CC[C@H](C)[C@H]2CCCC[C@H]21 605150909 BGSYDHLOFYNZDZ-RRFJBIMHSA-N 221.388 3.853 30 20 BHED CC[C@@H](CC(=O)Nc1cccc(C#N)c1)C(C)C 609159813 XBOTVSTWCPJSPW-ZDUSSCGKSA-N 244.338 3.569 30 20 BHED CCCN(CCCCC#N)Cc1ccc(C)cc1 611565655 IEJJMUDVGWDBSM-UHFFFAOYSA-N 244.382 3.901 30 20 BHED CC1(C)CCC[C@H](N[C@@H]2CCC[C@@H](C#N)C2)C1 618577537 LOOPPLLLJZALCR-MCIONIFRSA-N 234.387 3.627 30 20 BHED CC(C)C[C@@H](C)CN[C@H](C)c1cccc(C#N)c1 619621151 QQNVQOCIGJLPLN-ZIAGYGMSSA-N 244.382 3.891 30 20 BHED C=C(CNCc1ccc(Cl)o1)c1ccccc1 620756960 WZXPDMILYJLRKN-UHFFFAOYSA-N 247.725 3.736 30 20 BHED C=CC[C@H](C)NC(=O)c1cccc(C(C)C)c1 668855056 TUOSXSTZFNIRIR-LBPRGKRZSA-N 231.339 3.504 30 20 BHED CC(C)(C#N)CCCCN1CC(C)(C)C1(C)C 687800675 VBJAMBRTAVOYSM-UHFFFAOYSA-N 236.403 3.827 30 20 BHED CC(/C=C\C(=O)c1ccncc1)=C\c1ccccc1 776188461 RPOLVDPRGJHCDF-ISHIJUGMSA-N 249.313 3.924 30 20 BHED CCCCCC=NOCCC(F)(F)F 777457853 AATHFEWNOIGBDG-UHFFFAOYSA-N 211.227 3.522 30 20 BHED C#CCCCCNC(=O)CCCC[C@H](C)CC 784070836 XSJZPRUSTMIMSA-CQSZACIVSA-N 237.387 3.513 30 20 BHED Cc1ccnc(NN=CC(C(C)C)C(C)C)c1 789023407 LZKKXYYNYQKGAV-UHFFFAOYSA-N 233.359 3.716 30 20 BHED Cc1ccc(C=NN[C@@H](C)C(C)(C)C)c(C)c1 793113742 CBIPNRVAFREELA-ZDUSSCGKSA-N 232.371 3.662 30 20 BHED CC[C@@H](C)CON=C1CCC(C(F)F)CC1 793146252 PEYRCVDELBJEKH-YHMJZVADSA-N 233.302 3.860 30 20 BHED CC(=NOCCC1CC1)c1cc(F)cc(F)c1 814247266 YQUJNCYTQNTFCB-UHFFFAOYSA-N 239.265 3.506 30 20 BHED CC(=NNc1ccccn1)[C@@H]1CCCC[C@@H]1C 834923850 FAJGOJVXDVMFGA-WCQYABFASA-N 231.343 3.696 30 20 BHED CC[C@H](C)[C@@H](CC)OC(=O)C(C#N)(CC)CC 1122976565 GVHIXGXVRPJTFK-NWDGAFQWSA-N 239.359 3.684 30 20 BHED CC[C@H](N[C@@H](C)CC(C)(C)C#N)[C@@H]1CC1(C)C 1182445154 WUGOGLABVWMVET-AVGNSLFASA-N 236.403 3.729 30 20 BHED C[C@@H](C#N)S[C@H](C)c1ccccc1F 1472983857 ZYWVLAFWTQDIBY-DTWKUNHWSA-N 209.289 3.532 30 20 BHED Cc1ccc(NCc2ccccc2C#N)cc1C 20050859 ZRLAGMNLWPCWPY-UHFFFAOYSA-N 236.318 3.787 30 20 BHED C=C(C)CNc1cc(Br)ccc1C 48443047 ADTCUBZYEFGVBC-UHFFFAOYSA-N 240.144 3.746 30 20 BHED CC[C@H](CC#N)N[C@H](CC)c1ccc(F)cc1 54183060 JLGUHPHETCHVDE-ZIAGYGMSSA-N 234.318 3.559 30 20 BHED COc1ccc([C@H](C=O)C2CCCCC2)cc1 98179281 BLSVCLKHBCMJCW-OAHLLOKOSA-N 232.323 3.558 30 20 BHED C[C@H](NCC1(C)CCCC1)c1cccc(C#N)c1 108941303 HEVRSRKNBRXFIU-ZDUSSCGKSA-N 242.366 3.789 30 20 BHED CC[C@@H](Nc1cnccc1C#N)C1CCCCC1 135604605 FKJMGVGGVBICTA-CQSZACIVSA-N 243.354 3.724 30 20 BHED Cc1cc(C#N)ccc1CN(C)[C@H](C)C(C)(C)C 165466721 XUMMMFJLCNUFKH-CYBMUJFWSA-N 244.382 3.733 30 20 BHED C#CCCCNC(=O)[C@H](CC)CCCCCC 172947273 RNZVBLQDOYCNBJ-CQSZACIVSA-N 237.387 3.513 30 20 BHED C=C[C@H](C)Nc1cc(C)nc2c(OC)cccc12 301685664 UJBOUSKDTHVXLK-JTQLQIEISA-N 242.322 3.538 30 20 BHED CCC[C@H](CC)/N=C(/O)Nc1cc(C)cc(C)n1 330917350 LTZWESUZKNOGIN-LBPRGKRZSA-N 249.358 3.603 30 20 BHED C=C(CC)CS[C@H](C)c1nc(C(C)C)no1 358637266 SJQVOYMENKPVGX-SNVBAGLBSA-N 240.372 3.953 30 20 BHED CCCC(CCC)NCc1ccc(C#N)c(F)c1 404824788 FXTATCMRQHFIOC-UHFFFAOYSA-N 248.345 3.756 30 20 BHED C=CCCCCCn1ccc(-c2ccccn2)n1 419034633 YFIOFRAXLQPNJY-UHFFFAOYSA-N 241.338 3.692 30 20 BHED N#C[C@@H]1CC[C@H](N[C@H]2CCCCC23CCCC3)C1 424332881 TXSRFUVFKVYFMV-ILXRZTDVSA-N 246.398 3.771 30 20 BHED C=CCCCCCN1CCC[C@H](CSC)C1 429315517 ZUTHHKBITAAYJY-AWEZNQCLSA-N 241.444 3.808 30 20 BHED C=CCC[C@@H](NCc1ccc(F)cc1)C1CC1 439074281 CXUUYHUZMXKFLK-OAHLLOKOSA-N 233.330 3.660 30 20 BHED C=CCCCC[C@@H](C)NCCC[C@@H]1CCOC1 449688752 HVXAHZDLLCDBEF-HUUCEWRRSA-N 239.403 3.528 30 20 BHED C=CCC(CC=C)C(=O)NCC(C)(C)C1CCC1 452781571 BHXPNHCFOAJIJV-UHFFFAOYSA-N 249.398 3.697 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCC(C)(C)C 468000357 NJVDPGNYNVRWOS-WFASDCNBSA-N 239.403 3.920 30 20 BHED C=CCCCSCc1cc(F)ccc1C#N 469173193 YWQMAHFREIDTIS-UHFFFAOYSA-N 235.327 3.897 30 20 BHED CCC[C@H](CC)Sc1ccc(C#N)c(C)n1 487714716 ASCWHCHNNPSHFS-LBPRGKRZSA-N 234.368 3.933 30 20 BHED C=C(C)CN(CC)C(=O)C[C@@H]1CCC[C@H](C)C1 497475071 WINPNSLBNWEFIJ-UONOGXRCSA-N 237.387 3.627 30 20 BHED C=C(C)CCc1noc([C@H](C)c2cccs2)n1 508593015 DAIHMGQJFJVMTR-SNVBAGLBSA-N 248.351 3.792 30 20 BHED C=C(CC)CSCc1nc(CCCC)no1 536882002 PZSGLSARDUXLOQ-UHFFFAOYSA-N 240.372 3.612 30 20 BHED CCCN(CC#Cc1ccc(Cl)cc1)C1CC1 537219968 LQMLSKQQUZRPRK-UHFFFAOYSA-N 247.769 3.566 30 20 BHED C[C@H](CCC#N)CN1CCC[C@@H]1c1ccccc1 602434182 NQNYDSFIZFBKJM-GDBMZVCRSA-N 242.366 3.763 30 20 BHED C=CCCN1CCC[C@H]1c1ccccc1C 606896116 XUXYDBAXUJANIZ-HNNXBMFYSA-N 215.340 3.708 30 20 BHED C=C[C@H]1CCCCN1Cc1ccc2[nH]ccc2c1 628254003 HWLYXTIXGFQCJG-HNNXBMFYSA-N 240.350 3.708 30 20 BHED C=CC[C@@H]1CCCC[C@H]1NCc1ccc(O)cc1 657865613 UYHKATJATPSFFB-GDBMZVCRSA-N 245.366 3.617 30 20 BHED Cc1ccc(C)c(C=Nn2cnc3ccccc32)c1 725849670 PRYRBNVLRIWAQW-UHFFFAOYSA-N 249.317 3.535 30 20 BHED Cc1cc(C=NOCc2ccccc2)ccc1F 729142707 CTEVISKQJHYAJY-UHFFFAOYSA-N 243.281 3.685 30 20 BHED CCCCCCCCC(=O)NC[C@H]1CC1(C)C 732797758 TVNFLAPLGZSYIZ-CYBMUJFWSA-N 239.403 3.899 30 20 BHED CC(=NNc1cccc(C)c1)C1CCCC1 733078357 XFDBEYNWUDDOKZ-UHFFFAOYSA-N 216.328 3.973 30 20 BHED CC(CC1CC1)=NNc1ccc(C)cc1 756816860 YMQQFWQAABNZJP-UHFFFAOYSA-N 202.301 3.583 30 20 BHED CC(CC1CC1)=NNc1ccc(Cl)cc1 756816906 YUCQWYORBDPWBX-UHFFFAOYSA-N 222.719 3.928 30 20 BHED Cc1ccnc(NN=C2CC(C)(C)C[C@H]2C)c1 766025362 LWXBXOOMNNSMPR-LLVKDONJSA-N 231.343 3.614 30 20 BHED Cc1ccc(/C=C/C(=O)c2sccc2O)cc1 771744704 LWUSFARXXGOSDG-VOTSOKGWSA-N 244.315 3.658 30 20 BHED CCCCCCCN[C@@H](CCO)c1ccccc1 774859054 ZVRQPKFJYOCLCZ-INIZCTEOSA-N 249.398 3.670 30 20 BHED CC1=CC(=NOC2CCCCC2)CCC1 777457573 WQGOVSLDTBGEIN-UHFFFAOYSA-N 207.317 3.822 30 20 BHED Cc1cccnc1NN=C1CCC[C@@H](C2CC2)C1 790185937 LKSVGCDZKSHKFB-CYBMUJFWSA-N 243.354 3.758 30 20 BHED C[C@@H]1CCC(=NOC/C=C/Cl)[C@H](C)C1 811668482 GRZSIJJKVGHBEN-VJBHTGLDSA-N 215.724 3.568 30 20 BHED c1ccc(CON=C2CCCc3occc32)cc1 814792764 WWIMWAVWPAGUTG-UHFFFAOYSA-N 241.290 3.537 30 20 BHED C=CCCC[C@H](C)NC(=O)/C=C/C1CCCC1 843573842 HDQDLYXOCJHAPD-YLSINNKHSA-N 235.371 3.594 30 20 BHED CC[C@@](C)(NC[C@H](C)CCC#N)c1ccccc1 877046524 OUXGHHMIAGCJDT-GDBMZVCRSA-N 244.382 3.841 30 20 BHED C=CCCCCC[C@@H](C)NCc1conc1C 877563046 FQNBGJASPVDNIE-GFCCVEGCSA-N 236.359 3.598 30 20 BHED Cc1[nH]c2ccc(F)cc2c1C=NOC(C)(C)C 1319992126 BTHQAZUPWRKUJU-UHFFFAOYSA-N 248.301 3.764 30 20 BHED C=CCC[C@H]1CCCN1C(=O)C[C@H]1C=CCCC1 1336760179 PDFSMQZYBPTTCE-GJZGRUSLSA-N 247.382 3.690 30 20 BHED CC(C)(C)[C@@H]1CCC[C@H]1Nc1ccc(C#N)cn1 1458425454 DMOUYQKLMIIVGG-CHWSQXEVSA-N 243.354 3.580 30 20 BHED CO[C@H]1CCC[C@H](Sc2cccc(C#N)c2)C1 1472997541 WOFIQBDYPRNSST-JSGCOSHPSA-N 247.363 3.608 30 20 BHED C[C@H]1CN([C@@H](C#N)c2ccccc2)CC(C)(C)C1 1645016174 VIHNPPSZGGRXTE-HIFRSBDPSA-N 242.366 3.619 30 20 BHED C[C@H]1CCC[C@H](Nc2cccc(C#N)c2)C1 19921986 MUNQSDZIRZNMJU-AAEUAGOBSA-N 214.312 3.549 30 20 BHED C[C@H](N[C@@H]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 37253144 FMPNDXVUJQPVBJ-DVOMOZLQSA-N 242.366 3.788 30 20 BHED N#CCCCN(Cc1ccc(Cl)cc1)C1CC1 52075834 LBIQUJIOACJDSL-UHFFFAOYSA-N 248.757 3.608 30 20 BHED CC(C)CCC[C@@H](C)Nc1ccnc(C#N)c1 61811974 SYBSUFVKDPEUFE-GFCCVEGCSA-N 231.343 3.580 30 20 BHED CC(C)(C)CN(CCC#N)CC(C)(C)CCC#N 93101311 HMFPXRBXVUQAPC-UHFFFAOYSA-N 249.402 3.578 30 20 BHED C=C[C@H](C)N[C@@H](C)c1sc(C(C)C)nc1C 119320939 ITVUFYJRCBZETI-UWVGGRQHSA-N 238.400 3.800 30 20 BHED C[C@H](CNc1cccc(Cl)c1C#N)C1CC1 136192350 KZWQEDNMBQBKOF-SECBINFHSA-N 234.730 3.670 30 20 BHED CCCCCCCOC(=O)c1ccnc(C)c1 144890166 MUDQDYOTNGLFIQ-UHFFFAOYSA-N 235.327 3.517 30 20 BHED C=CCC(CC=C)C(=O)N1CCC2(CCCC2)C1 151022171 MIJLVNXPMXACGT-UHFFFAOYSA-N 247.382 3.548 30 20 BHED C=CCCCNc1ccccc1SC 157134731 APDDQMJSFIXIGF-UHFFFAOYSA-N 207.342 3.787 30 20 BHED C=CCCN[C@@H](C)c1ccc2c(c1)CCCC2 163852728 IKTRCRUZERYRNR-ZDUSSCGKSA-N 229.367 3.792 30 20 BHED C=CCCSc1ccc(C(C)=O)cc1OC 178700588 WNDABPHUJFODOH-UHFFFAOYSA-N 236.336 3.566 30 20 BHED C[C@@H]1CCC[C@H](N(C)Cc2cc(C#N)cs2)C1 180045411 QLNCTUVLUHYLPQ-YPMHNXCESA-N 248.395 3.630 30 20 BHED C=CC[C@H](C)N[C@H](CC)c1ccc(N(C)C)cc1 180950535 XKLHOAXFMIYPJJ-XJKSGUPXSA-N 246.398 3.758 30 20 BHED C[C@H](CCC#N)Sc1nc2ccccc2o1 188206162 LTANBCCSHYYRFW-SECBINFHSA-N 232.308 3.612 30 20 BHED C[C@@H](SCC1CC1)c1cccc(C#N)c1 190811107 NFZAGIQYQNYZSW-SNVBAGLBSA-N 217.337 3.762 30 20 BHED C=CC[C@H](C)NCc1ccc(OCC2CC2)cc1 191104590 XZPGODDOLSRAPT-ZDUSSCGKSA-N 245.366 3.530 30 20 BHED CCc1ccc(C=NNc2ccccc2)cc1 254440840 SUJLXRDULVYZFQ-UHFFFAOYSA-N 224.307 3.695 30 20 BHED C[C@H](CC#N)N(C)C/C=C\c1ccc(Cl)cc1 255372505 LAYZJZNENRNWPU-VSQXVHSFSA-N 248.757 3.587 30 20 BHED C=C(C)CCN(C)Cc1nc2ccccc2s1 274726695 ASQAENCZFSFDBY-UHFFFAOYSA-N 246.379 3.694 30 20 BHED CC(C)(C#N)CCCN(CC1CC1)C1CCC1 361570562 DEULLYWNPKGUAC-UHFFFAOYSA-N 234.387 3.581 30 20 BHED CCCCCCCNCc1ccc(C#N)s1 390814194 GFHOMOUQYFOHSN-UHFFFAOYSA-N 236.384 3.680 30 20 BHED CC[C@@H](Nc1ccc(CC#N)cc1)[C@H]1CC1(C)C 397784980 OZOXDZNCPOPHNK-HUUCEWRRSA-N 242.366 3.989 30 20 BHED Cc1cc(CN2CCC(CCC#N)CC2)cs1 399404932 XPTUHQGZXGCJTK-UHFFFAOYSA-N 248.395 3.572 30 20 BHED N#CCCCSCCc1ccc(Cl)cc1 419608058 WTPPAUCLLXEDPN-UHFFFAOYSA-N 239.771 3.919 30 20 BHED CC#CCCSCc1ccccc1C 462380675 XLFUMDTYWMNUJS-UHFFFAOYSA-N 204.338 3.642 30 20 BHED CCCC(CCC)NCCc1cccc(C#N)c1 467447455 HZIWAKOQSCJJGC-UHFFFAOYSA-N 244.382 3.659 30 20 BHED C=C[C@H]1CCCCN1c1ncc(C(C)C)s1 486468658 QUKNMAZTAMBKOJ-NSHDSACASA-N 236.384 3.811 30 20 BHED C=C[C@H]1CCCCN1Cc1nc(C2CC2)cs1 489512732 OJLFFPHKDPOSFG-LBPRGKRZSA-N 248.395 3.561 30 20 BHED C=CCC(C)(C)CNC(=O)C[C@@H]1CCC[C@@H]1C 489964141 GRUHLYJKUMLTDA-STQMWFEESA-N 237.387 3.531 30 20 BHED C=CCCCCN1CCC[C@H](OCCC)CC1 560220412 HIMSNMXGCJYXSL-HNNXBMFYSA-N 239.403 3.624 30 20 BHED C=CCCCCN[C@H](C)c1csc(CC)n1 566050226 HNEOCIBIBWVUFC-LLVKDONJSA-N 238.400 3.712 30 20 BHED CC(C)(C#N)CCN1CCC(C2CCCC2)CC1 611462479 DGOSBSOYQZPGOK-UHFFFAOYSA-N 248.414 3.828 30 20 BHED CCOCCCSCc1ccc(C#N)cc1C 614394721 LGQDVBPCYYMSIJ-UHFFFAOYSA-N 249.379 3.527 30 20 BHED C=CC[C@H](CC)Nc1nccc2c(N)cccc12 663874790 UXSBXWWSRIYBAI-NSHDSACASA-N 241.338 3.584 30 20 BHED C[Si](C)(C)CSc1ccccc1C#N 743454104 FKFWTYUTSNDPFB-UHFFFAOYSA-N 221.401 3.528 30 20 BHED C#CCCN(CCCC)[C@@H](C)c1ccc(C)o1 760818530 GCPIXUCQNZNUCQ-AWEZNQCLSA-N 233.355 3.774 30 20 BHED C=C(C)CN(C)C(=O)C[C@@H](C)CCCCC 778120787 CSONWLGMJQIINS-ZDUSSCGKSA-N 225.376 3.627 30 20 BHED Cc1ccnc(NN=C2CCC3(CC2)CC3)c1 792635543 RPDLVMCLGVMWBD-UHFFFAOYSA-N 229.327 3.512 30 20 BHED C=CCC(C)(C)C(=O)Oc1ccccc1Cl 796714058 WFBRMQLEENXINO-UHFFFAOYSA-N 238.714 3.848 30 20 BHED CCCC[C@@H](CC)COC(=O)[C@@](C)(C#N)CC 796837055 MNKCLEWXOBGAHE-TZMCWYRMSA-N 239.359 3.686 30 20 BHED Cc1ccccc1[C@@H](C)SCCO[C@@H](C)C#N 802753333 YRBWOASLMBIJGC-QWHCGFSZSA-N 249.379 3.718 30 20 BHED C1CCC(CNN=C2CCCC23CCCC3)C1 814933702 XLDSGIJULLUWEZ-UHFFFAOYSA-N 234.387 3.867 30 20 BHED C=C(C)C(C)(C)C(=O)NCc1c(C)cccc1C 819392482 DSHXFCWPGJZYBI-UHFFFAOYSA-N 245.366 3.522 30 20 BHED Cc1ccc2c(c1)CC[C@H]2NCC(C)(C)CC#N 840785553 INCPZENZNWFEQO-OAHLLOKOSA-N 242.366 3.512 30 20 BHED CC(C)c1ccccc1C(=O)OCC(C)(C)C#N 850935863 QGFUKMDWAYJSDJ-UHFFFAOYSA-N 245.322 3.517 30 20 BHED C=CC(C)(C)CC(=O)Nc1ccccc1OCC 887623169 WTUPGLYNGLSDJV-UHFFFAOYSA-N 247.338 3.626 30 20 BHED CCC[C@H](CC)C(=O)O[C@@H](CC#N)c1ccco1 1518000531 HIQDDXLCQPGMOW-AAEUAGOBSA-N 249.310 3.604 30 20 BHED CCCC(CCC)Nc1cc(C#N)ccc1OC 1621239458 USBCTBFAAKLBDT-UHFFFAOYSA-N 246.354 3.948 30 20 BHED N#Cc1ccc(NCCCc2cccs2)cc1 76277228 OLHGEGFCUULLNF-UHFFFAOYSA-N 242.347 3.664 30 20 BHED C[C@@H]1CCC[C@@H](Nc2cccc(F)c2C#N)[C@@H]1C 85089637 QNZLUYNZDGFJPC-JTNHKYCSSA-N 246.329 3.934 30 20 BHED C=CCCC(=O)N(C(C)C)C1CCCCC1 103390217 OUURUJKUYNFZES-UHFFFAOYSA-N 223.360 3.522 30 20 BHED CCCCCCCNC(=O)C(C)(C)CC 104596924 TWJCHTGZDOXGRT-UHFFFAOYSA-N 213.365 3.509 30 20 BHED C#CCCSc1ccc2ccccc2c1 113273234 RZVIHYHZZKMGOF-UHFFFAOYSA-N 212.317 3.955 30 20 BHED C=CCCCC(=O)N1CCCc2cccc(C)c21 175616944 RMQSOGULSSKTMP-UHFFFAOYSA-N 243.350 3.631 30 20 BHED C=C(C)CN(C)[C@@H](C)c1cccc(C)c1 181323537 KIZPFEQCYOUMCU-ZDUSSCGKSA-N 203.329 3.564 30 20 BHED C=CCCC[C@H](C)NC(=O)C1=CCCCCC1 186919087 ZDGLBAVUEDRQDC-ZDUSSCGKSA-N 235.371 3.738 30 20 BHED CCc1ccc(/C=C/c2ccc(C#N)cn2)cc1 193445846 INFJIEKKMUAVFB-VQHVLOKHSA-N 234.302 3.686 30 20 BHED C=CCN(CC=C)Cc1cc(C)sc1C 195686791 AXVJVXOYXKADMI-UHFFFAOYSA-N 221.369 3.539 30 20 BHED N#Cc1ccc(Cl)cc1OCCC1CCC1 229465755 QDYRGPWRXLEDSQ-UHFFFAOYSA-N 235.714 3.781 30 20 BHED C=C(Cl)CN[C@H]1CCC[C@H](C(C)C)C1 230997913 DHSPUSMNFAIUGD-RYUDHWBXSA-N 215.768 3.543 30 20 BHED C=CCC(C)(C)C(=O)NCCC1=CCCCC1 292220620 MNFLOZAOLPXHPZ-UHFFFAOYSA-N 235.371 3.595 30 20 BHED C=CCCC[C@@H](C)Nc1noc(C(C)(C)C)n1 302143304 GFQGUGGEEPUMCQ-SNVBAGLBSA-N 237.347 3.524 30 20 BHED C[C@H]1CCC[C@](C=O)(C/C=C/Cl)C1 306344225 NDFVWMBHQHXRSF-HFCJNZDQSA-N 200.709 3.524 30 20 BHED C=CCCC[C@@H](C)Nc1nccc2occc12 342793180 YMANHGMDJIMHDQ-LLVKDONJSA-N 230.311 3.985 30 20 BHED N#CC1(CCN2CC[C@H]3CCC[C@@H]32)CCCCC1 411565422 FIGOOVMXKVOQLM-CABCVRRESA-N 246.398 3.725 30 20 BHED C=CC[C@H](C)[C@@H](C)Nc1ccc2c(c1)CCN2 423213364 JWLSYVODLGOMJI-NWDGAFQWSA-N 230.355 3.667 30 20 BHED CC(C)Oc1ccccc1N[C@@H]1CC[C@@H](C#N)C1 442866530 LYKOUNVIWVJHDH-CHWSQXEVSA-N 244.338 3.578 30 20 BHED C=C(C)CCN[C@@H](C)CCc1ccsc1 449476369 MNJZNPDNDGANEJ-LBPRGKRZSA-N 223.385 3.625 30 20 BHED C=CCC1(C(=O)N2CCC[C@@H](CC)C2)CCCC1 449531935 CLMKTPRCHLOROG-CQSZACIVSA-N 249.398 3.772 30 20 BHED C=CC(C)(C)CNC(=O)Nc1ccc(C)cc1C 454137044 DMAZWORGCJUYCZ-UHFFFAOYSA-N 246.354 3.637 30 20 BHED C[C@H]1CC(C)(C)CC[C@H]1NCC(C)(C)CC#N 459733526 QDNDEGDZNUGTKU-QWHCGFSZSA-N 236.403 3.731 30 20 BHED C=CC[C@H](C)[C@H](C)Nc1cccc2c1CCO2 475486819 LPTVDJPBXWCTAO-RYUDHWBXSA-N 231.339 3.634 30 20 BHED C=CCC(C)(C)CNC(=O)[C@](C)(CC)CCC 490035205 CBGLIAGVYPYCSO-OAHLLOKOSA-N 239.403 3.921 30 20 BHED C=C(C)CCNc1cccc(NC(=O)CCC)c1 564199969 BGAPRHLWOWXCGY-UHFFFAOYSA-N 246.354 3.803 30 20 BHED C[C@H](NC[C@H](C)CCC#N)[C@@H]1CCC[C@@H](C)C1 602685529 ILJBPVLNCPAJIN-APIJFGDWSA-N 236.403 3.731 30 20 BHED C=CCCCN1CCC[C@H]1Cc1ccc(C)cc1 605150899 AETOIEWLIUPOJJ-KRWDZBQOSA-N 243.394 3.968 30 20 BHED CC(C)(C)OCCCSc1ccc(C#N)cc1 610684195 DRHISCHAENOVBD-UHFFFAOYSA-N 249.379 3.856 30 20 BHED C=CC[C@@H]1CCCN(c2ncc(Cl)s2)C1 664252710 BPVNWZJRDAMSGE-SECBINFHSA-N 242.775 3.589 30 20 BHED C#C[C@@H](NC1CC(c2ccccc2)C1)C(C)(C)C 702246030 LMZIIZFQLNGZBP-UYSNPLJNSA-N 241.378 3.570 30 20 BHED C=C(Cl)CN(CC)Cc1c(F)cccc1F 726072262 PIMKBAIROWETFU-UHFFFAOYSA-N 245.700 3.539 30 20 BHED C=C(C)CCOC(=O)CCC1CCCCC1 744303331 VVFGLRNBGWIDTC-UHFFFAOYSA-N 224.344 3.856 30 20 BHED CCC(C[C@@H](C)CC)=NOCc1cccnc1 746585659 JOHDQSYMEADUMY-LBPRGKRZSA-N 234.343 3.800 30 20 BHED C=CCC(CC=C)C(=O)OCC/C=C/CC 758515209 XYATYLRKGIXRJG-BQYQJAHWSA-N 222.328 3.654 30 20 BHED C#CC[C@H](N[C@H](C)c1ccoc1)c1ccccc1 773117846 XNUDEMSYWALXNR-CJNGLKHVSA-N 239.318 3.695 30 20 BHED CC[C@H](C)C(C)=NNc1cc(Cl)ccn1 777905795 LXQRBZCVZWAWAX-QMMMGPOBSA-N 225.723 3.569 30 20 BHED CC[C@@H]1CCC[C@H](C=NNc2ccnc(F)c2)C1 783867716 SNICCKHPZOBPQB-NEPJUHHUSA-N 249.333 3.835 30 20 BHED C1CCC(NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)CC1 786042239 NMQMRPWPJDVUEK-NGFQHRJXSA-N 246.398 3.721 30 20 BHED CCCCCCCCS(=O)(=O)CC(C)(C)C 798421246 LAWDCYYYCWYRCL-UHFFFAOYSA-N 248.432 3.808 30 20 BHED CC(C)(C)SCCON=Cc1cccs1 802726345 IBCPYCOWYPXSCS-UHFFFAOYSA-N 243.397 3.630 30 20 BHED C=CC[C@@H](N[C@H]1CC=C(C)CC1)c1ccncc1 816551706 LXQGVZZCKFNMTN-JKSUJKDBSA-N 242.366 3.787 30 20 BHED C#CCCCCC(=O)Oc1cccc(C2CC2)c1 822161548 WTWXSLJWCDVBJH-UHFFFAOYSA-N 242.318 3.663 30 20 BHED CC(=NNc1ccc(F)cn1)[C@H]1CCCC[C@@H]1C 834957055 RYVQDCZJPKZUMA-GWCFXTLKSA-N 249.333 3.835 30 20 BHED CC(=NNc1ccnc(F)c1)[C@@H]1CCCC[C@H]1C 834972571 DERVQPDFISJXCW-ZWNOBZJWSA-N 249.333 3.835 30 20 BHED C=C[C@H](C)ON=C1CC[C@@H]1c1ccccc1 844625481 MKMBZJOULBBGIK-WCQYABFASA-N 215.296 3.511 30 20 BHED CCCCCCC(=O)O[C@H](C)CC(C)(C)C#N 851213253 PBIFMYHHYBFLOI-GFCCVEGCSA-N 239.359 3.828 30 20 BHED CCCCCCCNC(=O)C(C)=C1CCC1 862355727 OJFXZGGFESYTEB-UHFFFAOYSA-N 223.360 3.573 30 20 BHED C=CCN(Cc1ccccc1OC(C)C)C(C)C 917829901 FYSJOSQMUWHXBX-UHFFFAOYSA-N 247.382 3.870 30 20 BHED C=C[C@H](C(=O)N[C@H](C)C(C)(C)C)c1ccccc1 1123921028 HLMDLTBJPOHCAS-OCCSQVGLSA-N 245.366 3.507 30 20 BHED CCCCCCCSCc1cnc(C)nc1 1340949364 VSAWEYBFUGWUBW-UHFFFAOYSA-N 238.400 3.989 30 20 BHED C[C@H]1CC(C)(C)CC[C@H]1Nc1cccc(C#N)n1 1642370806 VJCYTGDNMUULMU-WCQYABFASA-N 243.354 3.580 30 20 BHED C=C(Cl)CN1CCC[C@H]1[C@H](C)CCC 1644935277 SPYAYSZYZJLRPD-PWSUYJOCSA-N 215.768 3.640 30 20 BHED C[C@@H](Nc1cccc(F)c1)c1cccc(C#N)c1 37202750 PCONGSUKYMQVNB-LLVKDONJSA-N 240.281 3.870 30 20 BHED CC[C@@H]1CCCN(c2ccc(Cl)cc2C#N)C1 52859614 NXRVUSKDHFDTPD-LLVKDONJSA-N 248.757 3.838 30 20 BHED N#CCCCCN1CCCSc2ccccc21 71090409 IRPGARJDEUCUIP-UHFFFAOYSA-N 246.379 3.683 30 20 BHED C=CCCC(=O)O[C@@H](C)c1ccc(F)c(F)c1 102506223 ANRLNAOECBGFST-VIFPVBQESA-N 240.249 3.535 30 20 BHED C=C(Cl)CSc1ccccc1OC 120991023 MQQDWQOBYMMTMT-UHFFFAOYSA-N 214.717 3.540 30 20 BHED C=CCC[C@H](NCc1sccc1C)C1CC1 125300641 NSWRMEZVGGOMLT-ZDUSSCGKSA-N 235.396 3.891 30 20 BHED C#CCCCSc1ccc(C(F)(F)F)cn1 161030503 UGSWNICUCXSCQX-UHFFFAOYSA-N 245.269 3.606 30 20 BHED C[C@H](NCC(C)(C)CCC#N)c1ccc(F)cc1 162967198 PSVRZOVLBBKKLP-LBPRGKRZSA-N 248.345 3.806 30 20 BHED C[C@H]1C[C@@H](NCC(C)(C)CCC#N)CC[C@H]1C 168963986 BDWCVTRGXCVFPV-RDBSUJKOSA-N 236.403 3.731 30 20 BHED C=CCCCC(=O)Nc1ccc(Cl)cc1 177455837 DENMXDYFIKEXQI-UHFFFAOYSA-N 223.703 3.635 30 20 BHED CC(C)(C)CCCCN[C@H]1CCC[C@@H](C#N)C1 185818590 FVMXEKNSEYHIFI-KGLIPLIRSA-N 236.403 3.875 30 20 BHED N#CCCCSC/C=C/c1ccccc1 190878333 KFNFQVLLUHUAIG-RMKNXTFCSA-N 217.337 3.737 30 20 BHED C=CCC(C)(C)C(=O)N(C)Cc1ccccc1C 292166119 HNNPKOHXAKBCJZ-UHFFFAOYSA-N 245.366 3.556 30 20 BHED C=CCCCN[C@H](C)c1ccccc1OCC 301727677 JVINZEFVGSQFHB-CYBMUJFWSA-N 233.355 3.702 30 20 BHED C=CCCNc1ccc2c3c(cccc13)CC2 303791880 FJJZYGGJXBWFSV-UHFFFAOYSA-N 223.319 3.926 30 20 BHED C=CCCCCN[C@@H]1Cc2ccc(Cl)cc2C1 310178154 MSWPWNOFPQVDAI-OAHLLOKOSA-N 249.785 3.753 30 20 BHED CC(C)(CCC#N)CN1CCC[C@H]1C(C)(C)C 353457068 YLSIMLJIDOEHOP-ZDUSSCGKSA-N 236.403 3.827 30 20 BHED C=C(CC)Cn1ccc(-c2ccsc2)n1 358658860 CAVFGNNPWHTRPO-UHFFFAOYSA-N 218.325 3.578 30 20 BHED C=CC[C@H](C)N[C@@H]1C[C@H](C)CC[C@H]1CC 380189833 OKHSELKOIGARJS-XJFOESAGSA-N 209.377 3.755 30 20 BHED C=CCCC[C@@H](C)Nc1cc(C(C)C)ncn1 398194123 BWMNASQDRPRXTN-GFCCVEGCSA-N 233.359 3.757 30 20 BHED Cc1ccsc1[C@H](C)NCC(C)(C)CC#N 414160133 CPDARUHQYMCWFT-NSHDSACASA-N 236.384 3.647 30 20 BHED C=CCC1(C(=O)N2C[C@@H](C)C[C@H](C)C2)CCCC1 449045550 HEUWTARDPCENJF-KBPBESRZSA-N 249.398 3.627 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCC=C(C)C 452540608 JUONBJLDLQMJGP-ZFWWWQNUSA-N 237.387 3.840 30 20 BHED C=CCCC[C@@H](C)N[C@@H](CC)c1ccncc1 453185111 XISFZWBERSOTSW-HIFRSBDPSA-N 232.371 3.867 30 20 BHED CC1=CCC[C@H](C)[C@@H]1CNCC(C)(C)CC#N 459730466 MPIYATZSODDWOF-UONOGXRCSA-N 234.387 3.508 30 20 BHED CC#CCCN[C@@H]1CCC[C@H]1c1ccc(C)cc1 482159976 ZOVMTFHMKJIOMP-DLBZAZTESA-N 241.378 3.634 30 20 BHED C=CCN(CC=C)C/C(C)=C\c1ccccc1 505852959 DFEIMGGWDJRYMT-SQFISAMPSA-N 227.351 3.764 30 20 BHED C=C(C)CCN1CC[C@@H](c2ccccc2C)C1 509903302 ZGOYKVDWUIFAAZ-OAHLLOKOSA-N 229.367 3.751 30 20 BHED C=C(C)CCc1noc(-c2ccoc2CCC)n1 519721099 IERMDTQFNXJREJ-UHFFFAOYSA-N 246.310 3.791 30 20 BHED CC[C@H](C#N)Sc1ccc(Cl)cc1C#N 601914750 XQJVMMFNEUAQOW-SNVBAGLBSA-N 236.727 3.606 30 20 BHED C[C@@H](CCC#N)CNCC(C)(C)C1CCCC1 602575755 JKHXCRKJBAZOJD-ZDUSSCGKSA-N 236.403 3.732 30 20 BHED CCC[C@@H](NC[C@@H](C)CCC#N)C(C)(C)C 602677574 YQNNBOXQAIZGTA-QWHCGFSZSA-N 224.392 3.731 30 20 BHED C=CCS[C@H](C)c1cc(F)ccc1F 609633859 STAVZTPXVKFTPH-MRVPVSSYSA-N 214.280 3.945 30 20 BHED C[C@H](CN(CCC#N)Cc1ccco1)C(C)(C)C 619844105 VNUJGGIWTIEMAI-CYBMUJFWSA-N 248.370 3.677 30 20 BHED C=CCN(Cc1cncc(Cl)c1)C(C)(C)C 621321582 OEUGAHSHZZZWBV-UHFFFAOYSA-N 238.762 3.522 30 20 BHED C=CCC1(N[C@@H](CC)CCCC)CCOCC1 668551317 KAEZEIRFGJUPPE-AWEZNQCLSA-N 239.403 3.670 30 20 BHED CCCC[C@@H]1CCCC1=NNC1CCCC1 727651508 CASRTGRYXFZOAA-GFCCVEGCSA-N 222.376 3.865 30 20 BHED C=CCCOC(=O)c1cc2c(C)c(C)ccc2[nH]1 735207837 MAGRWVXOECQIAA-UHFFFAOYSA-N 243.306 3.518 30 20 BHED C[C@H](/N=C/c1ccccc1O)C1CCCCC1 741466158 GREZNKALTFQFLK-JASJWYONSA-N 231.339 3.780 30 20 BHED CC(/C=C\C(=O)c1cccnc1)=C\c1ccccc1 750901651 VFNCZTOYJRWOMK-FMDFGENTSA-N 249.313 3.924 30 20 BHED CC[C@H]1CCCC1=NNc1ccc(OC)cc1 750921437 JOPOLXHQHIJRKJ-NSHDSACASA-N 232.327 3.673 30 20 BHED CCCCON=C(C)CCc1ccc(OC)cc1 754279246 DSOKPWDJODXDQW-UHFFFAOYSA-N 249.354 3.820 30 20 BHED CCCC[C@H](CC)NCc1cc(C#N)ccc1F 773030380 QIEYAMSCYVDSTP-AWEZNQCLSA-N 248.345 3.756 30 20 BHED C#CCCCCN[C@@H]1CCCc2ccc(F)cc21 776171430 SKYFAXOCGXSLHY-MRXNPFEDSA-N 245.341 3.596 30 20 BHED C=C[C@H](C)OC(=O)c1cccc2c(C)c(C)[nH]c12 781575662 CAKVOVQVMSGRKR-VIFPVBQESA-N 243.306 3.516 30 20 BHED CCC(CC)NN=C1CC[C@@H](C)C[C@@H]1C 783845732 JOYXZVCIAWOSDU-MNOVXSKESA-N 210.365 3.577 30 20 BHED C/C=C(/CC)C(=O)Nc1ccc(C#N)cc1Cl 789658419 HVYIGVLFJFFUAP-KMKOMSMNSA-N 248.713 3.506 30 20 BHED CC[C@@H](C)NN=C1CCC[C@@H](C(C)C)C1 794533840 CFPFJCFVNQWXSP-VXGBXAGGSA-N 210.365 3.577 30 20 BHED C#C[C@H](OC(=O)C(C)(C)C(=C)C)c1ccccc1 821166540 DBTVJUHQUBNIHQ-AWEZNQCLSA-N 242.318 3.506 30 20 BHED C=CCCCCC[C@@H](C)N[C@H](C)CC(C)(C)O 824703258 YRZZKDUXCKCIOA-ZIAGYGMSSA-N 241.419 3.651 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1cscc1Cl 828953765 XQXWCSIPWWRHCY-QMMMGPOBSA-N 243.759 3.942 30 20 BHED N#C[C@@H]1CCC[C@H](OC(=O)C2=CCCCCC2)C1 839059306 OJSRIURPDPTQNL-OCCSQVGLSA-N 247.338 3.502 30 20 BHED CC(C)=CCC[C@@H](C)CC(=O)O[C@@H](C)CC#N 842717651 ZAMQVTIOYZIYIT-OLZOCXBDSA-N 237.343 3.604 30 20 BHED C=C[C@H](C)ON=Cc1ccc(C(F)F)cc1 844625953 PZOZJRDGJLRBFC-VIFPVBQESA-N 225.238 3.549 30 20 BHED C=CCCC(C)(C)NC(=O)/C=C/C(=C\C)CC 856374284 VFNQWVMJMXJVBZ-DZSAWWLQSA-N 235.371 3.760 30 20 BHED CCCCCC=NNc1ccc([N+](=O)[O-])cc1 864829651 RLSPVYIKXVYCBI-UHFFFAOYSA-N 235.287 3.573 30 20 BHED C=C1CCC(c2nc(C3CC(=C)C3)no2)CC1 896875442 FWURVKNSHMASAF-UHFFFAOYSA-N 230.311 3.717 30 20 BHED CCON=C(C)c1sc(C(C)(C)C)nc1C 915111956 RIALZXOWTYRXBQ-UHFFFAOYSA-N 240.372 3.510 30 20 BHED CCCNN=C(C)c1oc2ccccc2c1CC 915965974 TZMYWZLOBCRVPJ-UHFFFAOYSA-N 244.338 3.719 30 20 BHED N#Cc1cccc(Cl)c1NCCCC(F)F 1262372837 CVSROMYEPVBVKN-UHFFFAOYSA-N 244.672 3.669 30 20 BHED C[C@@H]1CCC[C@@H](CSc2ccc(C#N)cn2)C1 1640846441 DVNFHCFUDAMBKJ-VXGBXAGGSA-N 246.379 3.872 30 20 BHED N#Cc1ccccc1NCc1cccc(Cl)c1 19921789 CGRZYKKATGMJJY-UHFFFAOYSA-N 242.709 3.824 30 20 BHED CCC(CC)CN(CCC#N)Cc1ccc(C)o1 93100990 FZKVMKWUNJBAGZ-UHFFFAOYSA-N 248.370 3.740 30 20 BHED C=CCN(CCc1ccccc1)C1CCCC1 97493105 IPQXLXGIHIHJMX-UHFFFAOYSA-N 229.367 3.660 30 20 BHED C[C@@H]1CC(NCc2ccc(C#N)s2)C[C@@H](C)C1 135693135 CURNYYHQMZCLGT-QWRGUYRKSA-N 248.395 3.534 30 20 BHED N#Cc1ccccc1-c1cnc2ccccc2c1 149187501 JYWKLMYGCPFSNI-UHFFFAOYSA-N 230.270 3.773 30 20 BHED C=CCCC(=O)Nc1ccccc1OCC(C)C 263641157 BPKCLHQKUCSPEI-UHFFFAOYSA-N 247.338 3.626 30 20 BHED C[C@H](N[C@H](C)CCC#N)C(C)(C)c1ccccc1 276310030 LZWAENOJAKCHGF-KGLIPLIRSA-N 244.382 3.635 30 20 BHED CC(C)[C@@H]1C[C@@H](NCCCC#N)c2ccccc21 278888343 YKWKNKIMXNKOJJ-JKSUJKDBSA-N 242.366 3.764 30 20 BHED C=CCCCN[C@H](CC)c1ccccc1OC 336708298 NUPFBGPDOOWJLO-CQSZACIVSA-N 233.355 3.702 30 20 BHED C=CCCSCc1ccc(C(F)(F)F)cn1 339092295 RVVRRNJOHKHYEK-UHFFFAOYSA-N 247.285 3.910 30 20 BHED C=CCCC1(C(=O)NCC2(CC(C)C)CC2)CC1 356323922 OBILWQCPVFTQQE-UHFFFAOYSA-N 249.398 3.675 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 424525702 AVRXKIHJFCWSCY-FRRDWIJNSA-N 237.387 3.530 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)Cc1cccc(C)c1 424576040 XDTPHNYBYVLVSS-UHFFFAOYSA-N 245.366 3.556 30 20 BHED C=CCC1(CNC(=O)C(C)(C)C(=C)C)CCCC1 424877666 RZZXGISBNXJGFZ-UHFFFAOYSA-N 249.398 3.841 30 20 BHED C=C[C@@H]1CCCCN1Cc1sccc1C 426557172 QIWTWOHKYBRJIJ-GFCCVEGCSA-N 221.369 3.597 30 20 BHED C=C(CC)CN(C)Cc1cccc2[nH]ccc12 494135783 IMPYYEYNURLUOW-UHFFFAOYSA-N 228.339 3.566 30 20 BHED CC/C=C/CCOc1ccc(C#N)cc1C 545974622 SWIIMNOEJJFEES-SNAWJCMRSA-N 215.296 3.602 30 20 BHED CC#CCCN1CC(C)(C)[C@H]1c1cccs1 558185847 XVSHOAFKVAUUTP-CYBMUJFWSA-N 233.380 3.544 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)Cc1ccncc1 568991506 VARQWZQOARRTTR-CABCVRRESA-N 246.398 3.737 30 20 BHED C=CC[C@H](C)NC(=O)C[C@@H](C)CC(C)(C)C 604880360 BWGGSCYCYZAGOZ-NEPJUHHUSA-N 225.376 3.530 30 20 BHED C=CCC[C@H](CC)N[C@H](C)c1cccc(C#N)c1 610830086 CLHDCOURAXYENM-CJNGLKHVSA-N 242.366 3.954 30 20 BHED C=CCCNCCCc1c(F)cccc1Cl 668482485 PLEDSCOYEGFMLE-UHFFFAOYSA-N 241.737 3.577 30 20 BHED CCC#C[C@H](C)Sc1ncnc2sccc12 671151214 QNIQKEQBHBKQEZ-VIFPVBQESA-N 248.376 3.585 30 20 BHED C=CC[C@H](C)C(C)=NOCc1ccccc1 727777155 KKGVWRIXYDZYBC-LBPRGKRZSA-N 217.312 3.791 30 20 BHED C#CCCOc1ccc(Cl)c(C(F)(F)F)c1 751757429 VBWFXTPTWBWATB-UHFFFAOYSA-N 248.631 3.761 30 20 BHED CC1(C)CCC(C=NO[C@@H]2CCCCO2)CC1 755814390 LYLGVXSEJJHDIA-CYBMUJFWSA-N 239.359 3.732 30 20 BHED CC(CC1CCCC1)=NNc1ncccc1F 794993336 MFHUHXSVZFDBGD-UHFFFAOYSA-N 235.306 3.589 30 20 BHED CC[C@@H]1CCC[C@H](C=NOCCOC(C)C)C1 812240387 NWPBGULOTZBLNU-KGLIPLIRSA-N 241.375 3.630 30 20 BHED CC[C@@H](C=NO[C@H]1CCCCO1)c1ccccc1 814887797 MQODAGURIKCYNX-ZFWWWQNUSA-N 247.338 3.709 30 20 BHED CC(=NOCc1ccccc1)c1cccs1 839418530 YPMMUBHZMGKHFA-UHFFFAOYSA-N 231.320 3.689 30 20 BHED C#CCCCCc1nc(C2CCCCCC2)no1 843316855 BPFSNANHQJXRRX-UHFFFAOYSA-N 246.354 3.853 30 20 BHED C=C(C)CON=C1CC(c2ccccc2C)C1 844619000 RHGQWAASHVHKHE-UHFFFAOYSA-N 229.323 3.821 30 20 BHED C=CC(C)(C)CC(=O)N1CCC2(CCCC2)CC1 878915392 SNTCRSJNJKDXEK-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=C/C=C/CCNc1ccccc1O[C@@H](C)C#N 902029668 IKWLMOPICQTSSL-IHVVCDCBSA-N 242.322 3.522 30 20 BHED C=C[C@H](CC)CC(=O)N1CCC[C@H]1C(C)(C)C 931987088 APMACTJYAYOAQG-OLZOCXBDSA-N 237.387 3.626 30 20 BHED C=CC(C)(C)CC(=O)N[C@H](C)c1cc(C)oc1C 1119382014 XBUQUDYXJFTWQF-LLVKDONJSA-N 249.354 3.676 30 20 BHED N#CC1(CCCCOC(=O)CC2CCC2)CCC1 1336255214 PDQMCNCQBJWGRT-UHFFFAOYSA-N 249.354 3.584 30 20 BHED C=C(CC)C(=O)N[C@H](C)c1ccc(SC)cc1 1352159103 FYSAUSZBUCWBBG-LLVKDONJSA-N 249.379 3.552 30 20 BHED CCCCCCCC(=O)Nc1cccc(C)n1 3190719 BBFRKVIDOQDVBD-UHFFFAOYSA-N 234.343 3.689 30 20 BHED Cc1ccc(OCc2ccc(C#N)cc2F)cc1 19804937 VMHDYDPTRUJSCF-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=C(C)CN1CCC[C@H]1c1ccc(OCC)cc1 57626531 UHPQQVQXZCNDOG-INIZCTEOSA-N 245.366 3.798 30 20 BHED C[C@H](C#N)CN[C@@H]1CCC[C@H](C(C)(C)C)CC1 86958183 LQFGXXMQBUQRAA-HZSPNIEDSA-N 236.403 3.731 30 20 BHED CCCCCCCC(=O)Nc1ccc(C#N)cc1 100168439 DHBCHISHOKCCLH-UHFFFAOYSA-N 244.338 3.857 30 20 BHED C/C=C/CS[C@H](C)c1ccc(C#N)cc1 118444369 NIMIHIZDFSTUDI-PGLGOXFNSA-N 217.337 3.929 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCC[C@@H](C)[C@H]1C 126699610 QPSIVVSFIONPJB-XJFOESAGSA-N 209.377 3.755 30 20 BHED C=CCN(C)C(=O)[C@H](CC)CC1CCCCC1 161703555 GSHZAFGBQVJBOH-CQSZACIVSA-N 237.387 3.627 30 20 BHED C=C(C)CCN[C@H](C)c1cc(C)sc1C 168053510 PBDJDNCKSGYVAU-LLVKDONJSA-N 223.385 3.982 30 20 BHED CCCCCCCC(=O)OCc1cncs1 180456269 LGRNCEUONMPVMB-UHFFFAOYSA-N 241.356 3.547 30 20 BHED CC(C)(CCC#N)CNCC1C(C)(C)C1(C)C 229698871 LXBKUTFVJAUMJM-UHFFFAOYSA-N 236.403 3.588 30 20 BHED N#CCCCSCc1ccn(C2CCCC2)n1 276572881 FELUIXYYOAUMJC-UHFFFAOYSA-N 249.383 3.535 30 20 BHED CC(C)n1nccc1/C=C/C(=O)C1CCCCC1 280099473 UMLJNAGLGRKTSZ-CMDGGOBGSA-N 246.354 3.627 30 20 BHED C=CCN(Cc1ccccc1F)[C@@H](C)CCC#N 298078046 JVRCIQXAOLJKGT-ZDUSSCGKSA-N 246.329 3.506 30 20 BHED Cc1ccc(C)c(Oc2c(C#N)cccc2C#N)c1 302840303 LKVFFGBITWXQRT-UHFFFAOYSA-N 248.285 3.839 30 20 BHED C=C(Cl)CN[C@H](C)c1ccccc1SC 380240643 NEJKQAGJRXMADN-SNVBAGLBSA-N 241.787 3.812 30 20 BHED CC(C)c1[nH]nc(-c2ccsc2)c1CCC#N 409441261 QLECJULIXYKDHG-UHFFFAOYSA-N 245.351 3.718 30 20 BHED C=CCC[C@@H](N[C@@H]1CCCC[C@H]1F)C1CC1 414298645 ZFKMAUNIUTXGIG-MGPQQGTHSA-N 225.351 3.602 30 20 BHED CC(C)CC[C@H]1CC[C@@H](N[C@@H]2CC[C@H](C#N)C2)C1 424195102 CJUHRRCVDXGTPP-CAOSSQGBSA-N 248.414 3.873 30 20 BHED Cc1cccc([C@@H](C)NCC2(CC#N)CC2)c1C 430764538 SJHRLGIGJWIFFN-CQSZACIVSA-N 242.366 3.648 30 20 BHED C=CCCCC(=O)N(C)Cc1ccc(C)c(C)c1 456962651 NOSCKONRSHKQRB-UHFFFAOYSA-N 245.366 3.618 30 20 BHED C=C[C@H]1CCCCN1Cc1ccc(Cl)s1 489434809 IQXXDJQPPBTYRR-JTQLQIEISA-N 241.787 3.942 30 20 BHED C=CCC(C)(C)CNC(=O)C1(C)CCCCC1 554424417 DQMMFGJYOAHUOX-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 566036307 BDLQIPXBPJPRTM-DSCSFJNRSA-N 241.378 3.515 30 20 BHED C=CCCCCN1CCC[C@@H](c2ccncc2)C1 572692831 RLJRHXCBFIAQGJ-MRXNPFEDSA-N 244.382 3.617 30 20 BHED CC(C)CC1(NC2CCC(C)(C#N)CC2)CC1 595096222 WFXWABUJLMUYST-UHFFFAOYSA-N 234.387 3.627 30 20 BHED C=CCCCN(C)[C@@H](C)c1ccc(F)cc1 605149729 CMHBZWYHTNYYEQ-LBPRGKRZSA-N 221.319 3.785 30 20 BHED CCOc1ccccc1/C=C\C(=O)c1ccco1 606208320 WARINJNXFFLAJT-KTKRTIGZSA-N 242.274 3.574 30 20 BHED C=C(Cl)CN1CC[C@H](c2ccccc2)[C@H](C)C1 741809502 ITTNHIGQGUVLNQ-DOMZBBRYSA-N 249.785 3.865 30 20 BHED CCCCCCCCc1nc(CC2CC2)no1 743277152 JOTNUHDZAWCFHK-UHFFFAOYSA-N 236.359 3.925 30 20 BHED C=CCCCC(=O)Oc1c(C)cccc1Cl 748684501 JMVIYEMFYBQOJY-UHFFFAOYSA-N 238.714 3.910 30 20 BHED C=C(Cl)CN[C@H](Cc1cccc(C)c1)C1CC1 773003242 BVYJZZIHIRFGCK-OAHLLOKOSA-N 249.785 3.658 30 20 BHED CCCCC(CC)=NOCCC(F)(F)F 777459354 IKDHAGWUEGTOQF-UHFFFAOYSA-N 225.254 3.912 30 20 BHED CCCCCCCCNC(=O)C(C)(C)C(F)F 791672707 MPRZNHIFEMIZBO-UHFFFAOYSA-N 249.345 3.754 30 20 BHED C[C@@H]1CCCCC1=NNCC1(C)CCCC1 793084381 NJTBTQGKNYXOFH-GFCCVEGCSA-N 222.376 3.722 30 20 BHED CC1(C)CCC[C@H]1NN=C1CCC[C@H]1CCF 794934864 ANNDAIXEFAPGMG-WCQYABFASA-N 240.366 3.670 30 20 BHED C=CCCCCOC(=O)[C@@H](C)c1ccccc1 811008828 LSSPDCVHQPNLFD-ZDUSSCGKSA-N 232.323 3.690 30 20 BHED C=CCCCCOC(=O)[C@H]1CCCC(F)(F)C1 811009378 VTEZMRZRQYWQPN-NSHDSACASA-N 246.297 3.711 30 20 BHED CC(Cc1ccc(Cl)cc1)=NOC1CCC1 812236061 GNFDHLMPJLDBSG-UHFFFAOYSA-N 237.730 3.828 30 20 BHED COc1ccc(NN=CCCC(C)C)cc1 814884977 HHFASHBNETYVND-UHFFFAOYSA-N 220.316 3.529 30 20 BHED C=CC[C@H](C)NCc1ccc2ccccc2c1O 816550373 PEQZDIPLVRHKLQ-LBPRGKRZSA-N 241.334 3.600 30 20 BHED c1ccc(NN=C2CCCC23CCC3)cc1 834913825 GLHYCTDPUYBAPO-UHFFFAOYSA-N 214.312 3.809 30 20 BHED CC(=NOCc1cccnc1)[C@@H]1CCCC[C@H]1C 834967012 WQYPTKNJEKCZAU-IUODEOHRSA-N 246.354 3.800 30 20 BHED CC(C)(C#N)[C@@H]1CCCC1=NOCC1CCC1 853441022 NEIMMDVAKAIQIV-GFCCVEGCSA-N 234.343 3.509 30 20 BHED CC1(C(=O)OCCCCC2(C#N)CCC2)CCC1 909050619 RSRXLBQGRSGKMT-UHFFFAOYSA-N 249.354 3.584 30 20 BHED CC(=NNc1ccc(C)cc1)c1ccccc1F 916250415 CPXXYXICDKRZQZ-UHFFFAOYSA-N 242.297 3.970 30 20 BHED C=C(Cl)CN1CCC[C@H]1CCc1ccccc1 917065557 CPBVCBWNXPNKMV-HNNXBMFYSA-N 249.785 3.836 30 20 BHED CSc1ccc(N[C@H](C)CC(C)(C)C#N)cn1 926101081 ZNVGSUWZHOIPRN-SNVBAGLBSA-N 249.383 3.544 30 20 BHED C=CCN(C(=O)[C@@H](C)c1cccc(C)c1)C(C)C 1319017091 NAJLAGXVROXJFM-AWEZNQCLSA-N 245.366 3.522 30 20 BHED C=CCC[C@H]1CCCN1C(=O)C[C@@H]1C=CCCC1 1336760177 PDFSMQZYBPTTCE-CABCVRRESA-N 247.382 3.690 30 20 BHED C=CC[C@@H](SC(CCC)CCC)C(=O)O 1602850166 UFEWINZNFXXTRJ-LLVKDONJSA-N 230.373 3.718 30 20 BHED CCCCCCCOc1ccc(C#N)cc1OC 59089306 XXXAZHKBOQRZAI-UHFFFAOYSA-N 247.338 3.916 30 20 BHED Cc1cccc(NCc2ccc(F)c(C#N)c2)c1 83368223 QUYPKQNMEWJAEC-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CCCCCN(CCC(C)(C)C#N)C(C)C 87595386 JGLVWPDDJFFYLY-UHFFFAOYSA-N 224.392 3.827 30 20 BHED C=CCCC(=O)O[C@@H](C)c1cc(F)cc(F)c1 119971079 CUXHMLBDRANVGO-VIFPVBQESA-N 240.249 3.535 30 20 BHED Cc1ccc2c(c1)[C@@H](NCCCCC#N)[C@H](C)C2 180430111 LMFWQKHNSGIJMK-CJNGLKHVSA-N 242.366 3.512 30 20 BHED C=CCCNc1ccc(F)cc1NC(C)C 180657429 ZENPJFBADKZBDA-UHFFFAOYSA-N 222.307 3.634 30 20 BHED N#CCN[C@H](CC1CCCCC1)c1ccccc1 181825079 DORLINICAWGSBJ-MRXNPFEDSA-N 242.366 3.811 30 20 BHED CCOc1ccccc1N[C@H]1CCC[C@@H](C#N)C1 185729381 MTYVJIFQEDGPAM-OLZOCXBDSA-N 244.338 3.580 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc(Cl)cc1 196737536 VRYMLUWDHYVBKN-UHFFFAOYSA-N 237.730 3.881 30 20 BHED CC[C@@H](C)CSCc1cccc(C#N)c1 229046123 KFSGFHRKIYHPJS-LLVKDONJSA-N 219.353 3.838 30 20 BHED CC[C@H](CC#N)N[C@H]1CCC[C@@H](CC(C)C)C1 230771483 KUYXMDPWMVCNHL-ZNMIVQPWSA-N 236.403 3.873 30 20 BHED C[C@H]1CCC[C@H](Nc2nccc(C#N)c2Cl)C1 235667307 WPZZETPEBPQDRO-ONGXEEELSA-N 249.745 3.597 30 20 BHED Clc1ccc(C=NOCc2ccccc2)cc1 250658236 XOKKCRXDGQCLJD-UHFFFAOYSA-N 245.709 3.891 30 20 BHED CCc1ccc(NCC2(CC#N)CC2)cc1C 302332223 SEYUELBSPYABFL-UHFFFAOYSA-N 228.339 3.663 30 20 BHED CCc1cccc(Oc2c(C#N)cccc2C#N)c1 302852596 QKJFKTBZOVNOFC-UHFFFAOYSA-N 248.285 3.785 30 20 BHED C=CCSCCN[C@H](CC)c1cccc(C)c1 310131891 HUKFNMQQVDKGLZ-OAHLLOKOSA-N 249.423 3.955 30 20 BHED C=CCC(C)(C)CN[C@H](C)Cc1ccc(O)cc1 311026257 CWWBDISRKZVSQR-CYBMUJFWSA-N 247.382 3.515 30 20 BHED Cc1cc(C)nc(SCC2(C#N)CCCC2)c1 405167202 VDRYKMCNNMOKHP-UHFFFAOYSA-N 246.379 3.875 30 20 BHED CCN(CC#N)[C@H](C)c1ccc2ccccc2c1 411216628 UYSCNBARUJUXSD-CYBMUJFWSA-N 238.334 3.746 30 20 BHED Cc1cccc(C)c1OCCCSCCC#N 413017464 YSDHHENKCBQDFR-UHFFFAOYSA-N 249.379 3.719 30 20 BHED C=CCC[C@@H](CCC)NCc1ccc(C#N)s1 421354618 WXOZSCJLYMMYEI-GFCCVEGCSA-N 248.395 3.844 30 20 BHED C=CCN(C)[C@H]1CC[C@@](C)(c2ccccc2)C1 437959803 UMAVTKSZXVPUNB-JKSUJKDBSA-N 229.367 3.615 30 20 BHED CCN(CC#Cc1cccc(Cl)c1)C1CCC1 438094622 NNUWIEQVTBRMKB-UHFFFAOYSA-N 247.769 3.566 30 20 BHED C=CC[C@H](CC)NC(=O)[C@H]1CCC[C@H]1CCC 451429594 ZLXVKNXJNYSANT-RDBSUJKOSA-N 237.387 3.674 30 20 BHED C=CCC(CC=C)C(=O)NCC1C(C)(C)C1(C)C 478503931 UHZMXWHWVOMGQP-UHFFFAOYSA-N 249.398 3.553 30 20 BHED C=CC[C@@H]1CCCC[C@H]1NCC(C)(C)CC#N 595054306 ZCWXTSBPGFORSV-ZIAGYGMSSA-N 234.387 3.651 30 20 BHED C=C[C@H]1CCCCN1C(=O)C1CCC2(CC1)CC2 614132593 JHQLYIQKMKUFKM-AWEZNQCLSA-N 247.382 3.524 30 20 BHED C=CCN(C(=O)c1ccoc1CCC)C(C)(C)C 622944751 DEPZTBVXXBWWNS-UHFFFAOYSA-N 249.354 3.659 30 20 BHED C=CCC1(C(=O)N2CCC[C@H]3C[C@H]32)CCCCC1 650074819 KPYZELSDOAGHAJ-UONOGXRCSA-N 247.382 3.524 30 20 BHED CC(CCc1cccc(F)c1)=NNC1CCCC1 727652283 XHIACUIYASCWMO-UHFFFAOYSA-N 248.345 3.666 30 20 BHED CCCCCC[C@H](C)CC(=O)O[C@H](C#N)CC 753429059 WZTJDSZBSFTBSP-STQMWFEESA-N 239.359 3.828 30 20 BHED CCCCCC(C)=NNc1cc(C)ccn1 755904172 WHKPSUUJOBSEPA-UHFFFAOYSA-N 219.332 3.758 30 20 BHED C[C@@H]1CCCC[C@H]1C=NNc1cccc(C#N)c1 783821010 JMFWXCOBMFOLSV-OCCSQVGLSA-N 241.338 3.782 30 20 BHED CC1(C)CCC1=NNc1cc(F)c(F)c(F)c1 789024555 WMANYZLEJSSTKM-UHFFFAOYSA-N 242.244 3.692 30 20 BHED COc1ccccc1CON=C1CCC[C@@H](C)C1 799117945 PQHFVLHJGYGVGC-GFCCVEGCSA-N 247.338 3.778 30 20 BHED Fc1cc(Cl)ccc1C=NOC/C=C/Cl 811670698 ZFPKFLQMLYDBER-UOZKWQDASA-N 248.084 3.582 30 20 BHED CC(C)c1ccccc1NC(=O)C#CC(C)(C)C 837326774 LVAAKKXUVAHHKU-UHFFFAOYSA-N 243.350 3.798 30 20 BHED C=CCCN[C@@H](C)c1ccc(OC)cc1Cl 850502911 WLNGFJKUVVAAPE-JTQLQIEISA-N 239.746 3.575 30 20 BHED Clc1ccc(NN=C2CC[C@H]2C2CCC2)nc1 853435441 OZYHTGIJASGBMZ-NSHDSACASA-N 249.745 3.713 30 20 BHED C=C(Cl)CSCc1cnn(C(C)(C)C)c1 853778984 PJYRCZQIBPMXTF-UHFFFAOYSA-N 244.791 3.624 30 20 BHED C=CCCCC(=O)OCCCCC1(C#N)CCC1 909049661 RRVCFNLFJJONOY-UHFFFAOYSA-N 249.354 3.750 30 20 BHED C=C[C@H](CC)CC(=O)N1CCC[C@@H]1C(C)(C)C 931987087 APMACTJYAYOAQG-CHWSQXEVSA-N 237.387 3.626 30 20 BHED C=CCN(C)Cc1c(CC)oc2ccccc12 96982376 FXPBXWZGBQQIRA-UHFFFAOYSA-N 229.323 3.613 30 20 BHED C[C@@H]1CCC[C@@H](Nc2ccc(F)cc2C#N)C1 113316974 BYKZJPVXMJAWHT-ZWNOBZJWSA-N 232.302 3.688 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1sc(C(C)C)nc1C 119321213 ITVUFYJRCBZETI-ZJUUUORDSA-N 238.400 3.800 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccccc1OC(F)F 119332267 GEYRGLIKNKGGEB-UWVGGRQHSA-N 241.281 3.513 30 20 BHED C=CCC[C@H](C)N[C@H](C)c1ccsc1 131996870 HVPCGOUUUPEVNK-WDEREUQCSA-N 209.358 3.753 30 20 BHED C[C@H]1CCCCN1Cc1ccc(C#N)cc1Cl 162855803 GJTFWSNCZJGLFC-NSHDSACASA-N 248.757 3.586 30 20 BHED C=CCN[C@@H](C)c1cc2ccccc2s1 163661101 MUBUVNJOSXYBMS-JTQLQIEISA-N 217.337 3.738 30 20 BHED CC(C)CCC(=O)O[C@H](C)c1ccc(C#N)cc1 175753363 VQVOESJSTPPNPP-GFCCVEGCSA-N 245.322 3.599 30 20 BHED N#C[C@@H]1CCC[C@@H](NCc2cccc(Cl)c2)C1 185759202 SONUTDRIZHXVRA-BXUZGUMPSA-N 248.757 3.512 30 20 BHED C=CCC1(C(=O)Nc2cc(C)ccc2C)CCC1 190180509 SMFCEHQBHZZLDC-UHFFFAOYSA-N 243.350 3.988 30 20 BHED C[C@H]1CCN(CCCCC(C)(C)C#N)C[C@@H]1C 235551229 JXKGKXLTXMKJCY-KBPBESRZSA-N 236.403 3.684 30 20 BHED C[C@@H](CCC#N)N[C@@H](C)c1cc2ccccc2o1 276632516 WIRLIPZVOQIEBW-RYUDHWBXSA-N 242.322 3.776 30 20 BHED C=CCCCCCCN[C@H]1C[C@@H](C)n2ccnc21 294158120 QOPFNABMISCCHD-KGLIPLIRSA-N 247.386 3.615 30 20 BHED C[C@@H]1CCC[C@@H](COc2ccc(C#N)cc2F)C1 305923866 ILKNMDPXONFRFQ-DGCLKSJQSA-N 247.313 3.902 30 20 BHED C=CCCCCNCc1cc(C)sc1C 309032211 CLLARDKLPWAPBK-UHFFFAOYSA-N 223.385 3.811 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCC[C@H](C)[C@@H]1C 309067423 ADGXROQZWIXBJC-XDQVBPFNSA-N 209.377 3.755 30 20 BHED C=CCC[C@@H](CCC)NC[C@@H](C)C(F)(F)F 310004327 FYSUSTGLDVHVOT-GHMZBOCLSA-N 237.309 3.909 30 20 BHED Cc1ccc(CNc2cccc(CC#N)c2)s1 313435180 JAFWLMJJNIRIHH-UHFFFAOYSA-N 242.347 3.735 30 20 BHED C=CC[C@H](CC)N[C@@H](CC)c1ccc(C#N)cc1 343507532 OXYQFHFQQXRUKJ-HOTGVXAUSA-N 242.366 3.954 30 20 BHED C=CCCCCCN(C)Cc1cccc(C)n1 351883534 ACUSAMMCCLBGHA-UHFFFAOYSA-N 232.371 3.568 30 20 BHED C=C(CC)CN1CCC[C@H]1c1ccsc1 358622013 AHHSEEZNSWLXAZ-ZDUSSCGKSA-N 221.369 3.851 30 20 BHED C=CCCNc1ccc(Cl)c(OC(F)F)c1 381812210 HZECQPHGDVJGRU-UHFFFAOYSA-N 247.672 3.929 30 20 BHED C=CCC[C@H](CCC)NCc1occc1C 390454014 BPBBIPPEVHSGSZ-ZDUSSCGKSA-N 221.344 3.813 30 20 BHED C=CCN[C@H](c1cccc(F)c1)C(C)(C)C 390535366 JYEFZNJDKJPMCU-CYBMUJFWSA-N 221.319 3.689 30 20 BHED CC(C)[C@H](SCCC#N)C(=O)c1ccccc1 413014922 RDRCHDSMKAUTON-AWEZNQCLSA-N 247.363 3.541 30 20 BHED N#Cc1ccn(Cc2ccc(C3CCC3)cc2)c1 447319969 UXMPLDODOXDINK-UHFFFAOYSA-N 236.318 3.676 30 20 BHED C=CC[C@@H](C)NC[C@H](C)c1cc(F)cc(F)c1 449151012 VEDVRHQVRHADJR-WDEREUQCSA-N 239.309 3.623 30 20 BHED C=CCCN(C)C[C@H](C)c1cc(F)cc(F)c1 449268304 FRPDTXBNNYMGOH-NSHDSACASA-N 239.309 3.576 30 20 BHED C=CC(C)(C)CN[C@@H](CC(C)C)c1ccccn1 453305100 GZMPAEYPEBKYCJ-HNNXBMFYSA-N 246.398 3.971 30 20 BHED CC[C@H](NCC(C)(C)CC#N)c1ccccc1F 459738161 XPRLUOCXGHAKRK-AWEZNQCLSA-N 248.345 3.806 30 20 BHED C=C[C@](C)(CC)C(=O)N1CCC2(CCCC2)CC1 473830545 RSFZNDRHKJBWLS-OAHLLOKOSA-N 249.398 3.772 30 20 BHED Cc1ccc(CNc2cccc(C#N)c2C)cc1 500773451 PSAPCERAIQAOLL-UHFFFAOYSA-N 236.318 3.787 30 20 BHED CC1=CCC[C@H](C)[C@@H]1CN1CCC(CC#N)CC1 527207040 YUNKGWMYVUZWAK-GOEBONIOSA-N 246.398 3.604 30 20 BHED C=CCCCC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 531122430 DLEKKKUTLJBWQW-KKUMJFAQSA-N 249.398 3.770 30 20 BHED N#Cc1ccc(-c2cnc(C(F)F)s2)cc1 536952654 CXRIEFKIIOBXOB-UHFFFAOYSA-N 236.246 3.619 30 20 BHED C=C(C)CN[C@H](C)c1ccccc1OC(C)C 537021808 MWSDXUBANDTPSK-CYBMUJFWSA-N 233.355 3.701 30 20 BHED C=CCN(C[C@H](CC)c1ccccc1)C1CC1 544599250 OFZVUEUFJGHYJA-AWEZNQCLSA-N 229.367 3.831 30 20 BHED C=CCN(C/C=C/c1ccc(F)cc1F)C1CC1 544599367 CZEZTGMZISCFMI-ONEGZZNKSA-N 249.304 3.628 30 20 BHED CCCC[C@@H](C)N(CCCC)CC1(C#N)CC1 572140152 VQHLCZKFDCTNSX-CQSZACIVSA-N 236.403 3.971 30 20 BHED C=C(C)CCc1noc([C@@H](C)CCCC)n1 578937795 MJDKPHMBPYGOBF-NSHDSACASA-N 222.332 3.872 30 20 BHED C=CCCCCN(C)[C@H](C)c1cccc(C#N)c1 582901928 VMLBGYMFXWHFGT-CQSZACIVSA-N 242.366 3.907 30 20 BHED CC[C@H](NCC1(C#N)CCC1)c1ccccc1F 593062460 ZAXOGVXAICWMHB-AWEZNQCLSA-N 246.329 3.560 30 20 BHED C=CCCCN1CC[C@H](c2ccccc2C)C1 605150362 OJYZRUPVVHCTKT-HNNXBMFYSA-N 229.367 3.751 30 20 BHED C[C@@H](c1cccc(F)c1)N1CCC[C@](C)(C#N)C1 612161778 IDKLMBYKCPFPPD-SWLSCSKDSA-N 246.329 3.512 30 20 BHED C=CCCC(C)(C)NCc1ccccc1 657805434 OOAMRRIPCATEEZ-UHFFFAOYSA-N 203.329 3.521 30 20 BHED CC(=NNc1ccc(OC(F)F)cc1)C(C)C 726430431 ZFURSNOKGRTTCR-UHFFFAOYSA-N 242.269 3.732 30 20 BHED CCC(=NNC1CCCC1)c1ccc(C)cc1 727652729 WRTLCIGUPBVTNJ-UHFFFAOYSA-N 230.355 3.641 30 20 BHED CCC(C[C@@H](C)CC)=NNc1ccc(F)cn1 731319535 RDVCZGBNBLSHFN-JTQLQIEISA-N 237.322 3.835 30 20 BHED CCCCCCCC(=O)N1CCC[C@@H](C)[C@@H]1C 741587205 KUUIJEZBAWCAJX-KGLIPLIRSA-N 239.403 3.994 30 20 BHED CCC[C@@H](C)C(CC)=NNc1nc(C)cc(C)n1 748247338 UGICEQBKJKMCEV-SNVBAGLBSA-N 248.374 3.708 30 20 BHED C#CCCCCNCc1ccc(CCC)cc1 758496648 FPYNIZCFKFIOHF-UHFFFAOYSA-N 229.367 3.532 30 20 BHED COc1ccsc1/C=C/C(=O)c1ccccc1 764437666 UGPFWIVEYGYVOP-BQYQJAHWSA-N 244.315 3.653 30 20 BHED Cc1cccnc1NN=C1CC(C)(C)C[C@H]1C 766035499 WMTDFLBBSVEZIP-LLVKDONJSA-N 231.343 3.614 30 20 BHED C#CCCCN1C[C@@H](c2ccccc2C)C[C@H]1C 766903196 RMMJABCGCZUDBI-CVEARBPZSA-N 241.378 3.586 30 20 BHED CC[C@H](C)CON=C(C)Cc1cccs1 793159108 KXPLBUJYKHZDHY-JTQLQIEISA-N 225.357 3.729 30 20 BHED C=CCCCCC[C@H](C)N[C@@H](C)[C@@H]1CCOC1 793536615 TYOPSQFBPNUWCB-SOUVJXGZSA-N 239.403 3.526 30 20 BHED CCCCCCCN1CC[C@@H](c2ccccn2)C1 799191893 UWDTWHGOFQGDQR-OAHLLOKOSA-N 246.398 3.841 30 20 BHED C=CCOC(=O)c1cc2cccc(C)c2s1 808629722 LYEFYIPFLSDGJP-UHFFFAOYSA-N 232.304 3.553 30 20 BHED CCC(=NN[C@@H](C)c1ccncc1)[C@H]1CC1(C)C 819817577 BGHRMPBLCXXCJK-WCQYABFASA-N 245.370 3.544 30 20 BHED C=CC(C)(C)C(=O)Oc1cc(F)ccc1Cl 839354216 VEUKYWSFDBSDOE-UHFFFAOYSA-N 242.677 3.597 30 20 BHED C[C@H]1CCCCC1=NNc1ncccc1Cl 917548981 FNDJURSFNJKKCQ-VIFPVBQESA-N 237.734 3.713 30 20 BHED Cc1ccnc(CSCCCC(C)(C)C#N)c1 1255681236 FKCLLQSCLMMSCC-UHFFFAOYSA-N 248.395 3.953 30 20 BHED CCON=Cc1ccc(-c2ccccc2)s1 1337084119 AJRLOMKSILLVPY-UHFFFAOYSA-N 231.320 3.786 30 20 BHED C=C(C)CCC(=O)Nc1cc2[nH]ccc2cc1C 1338961182 SUFKWXURJXBCPN-UHFFFAOYSA-N 242.322 3.771 30 20 BHED C=C(CC)C(=O)Nc1c(C)cc(Cl)cc1C 1347066890 WUKCNQQWKOSFTJ-UHFFFAOYSA-N 237.730 3.862 30 20 BHED Cc1nsc(SCC2CCCC2)c1C#N 1559301714 JTAWTHPTIBKYCW-UHFFFAOYSA-N 238.381 3.606 30 20 BHED C[C@@H](CN1CCC[C@@](C)(C#N)C1)C1CCCCC1 1653856070 YQYRYBSDLOBEMH-HOCLYGCPSA-N 248.414 3.828 30 20 BHED CC[C@@H](CC#N)N[C@@H](C)c1cc2ccccc2o1 54182592 WTTQCYZLKFGNLS-AAEUAGOBSA-N 242.322 3.776 30 20 BHED CC[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 79054569 JRZGPVPQVNGPLW-AWEZNQCLSA-N 242.366 3.570 30 20 BHED Cc1ccc(SCc2ccc(C#N)cc2)nc1 79094071 PSIXRHQCNYUBGO-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C[C@@H](N[C@@H]1CCCC1(C)C)c1ccc(C#N)cc1 94305387 NRVIGQRQDJQFCE-IUODEOHRSA-N 242.366 3.788 30 20 BHED C=C(C)CNC(C)(C)CCc1ccccc1 122377737 RDHGLBZEXXANKT-UHFFFAOYSA-N 217.356 3.564 30 20 BHED C=CC[C@@H](C)N[C@H]1CCc2cc(C)ccc21 129652788 XVJZLBGMDJHMIK-DOMZBBRYSA-N 215.340 3.537 30 20 BHED C[C@H](Nc1ccc(C#N)c(Cl)c1)C1CCC1 135515568 BPUGNQMAIPYHDC-VIFPVBQESA-N 234.730 3.812 30 20 BHED CC[C@@H]1CCC[C@@H]1Nc1cccc(F)c1C#N 163796262 OLIVVPGEDHGJAH-MFKMUULPSA-N 232.302 3.688 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1ccc(C#N)cc1 180144497 DYGFUYSNICMOQX-UONOGXRCSA-N 242.366 3.954 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1cccc(O)c1 181548551 ZQQIMQUEYGGUTR-OLZOCXBDSA-N 233.355 3.788 30 20 BHED C=C(C)CN(C)[C@H](C)c1c(F)cccc1F 194425737 VITBAUPMMZGIFH-SNVBAGLBSA-N 225.282 3.534 30 20 BHED CC[C@@H](C)CSCc1cccc(C#N)c1F 223552974 LZYHFVOKJNSMOT-SNVBAGLBSA-N 237.343 3.977 30 20 BHED CC(C)[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1 274661929 VQUGHLPMDUBNCV-KBMXLJTQSA-N 242.366 3.666 30 20 BHED C=CCC[C@H](NC[C@@H](C)SC)c1ccco1 276383783 ABFOVYIAODQNTE-NEPJUHHUSA-N 239.384 3.628 30 20 BHED C=CCCN(C)Cc1cc(C)nc2ccccc12 276505141 WTYJAVAOISEHOY-UHFFFAOYSA-N 240.350 3.551 30 20 BHED C=C(Cl)CN[C@@H](C)[C@H](C)CCCC 308366658 OHMNYHCBTVOXAF-KOLCDFICSA-N 203.757 3.543 30 20 BHED CC#CCN[C@H](c1ccc(Cl)cc1)C(C)C 309349045 MJCGBMTYUWURGR-AWEZNQCLSA-N 235.758 3.650 30 20 BHED C=CC[C@@H](C)N[C@H]1CC(C)(C)Cc2occc21 358034487 HBKVNAXPRAFIPR-YPMHNXCESA-N 233.355 3.847 30 20 BHED C=C(CC)CSCCc1csc(C)n1 358632855 BSKAIUBQNUVHRL-UHFFFAOYSA-N 227.398 3.693 30 20 BHED C=CCSCc1cc(Cl)nc(Cl)c1 388295991 LBNNRFYYWDBNJH-UHFFFAOYSA-N 234.151 3.808 30 20 BHED C=CC[C@@H](CC)NC1CCC(CSC)CC1 393795670 IDTGYZQITWVZIZ-ROKHWSDSSA-N 241.444 3.853 30 20 BHED C=CCCCN1CC[C@H](c2ccccc2)[C@@H]1C 434900465 NATQZHGTLUBIQJ-HOCLYGCPSA-N 229.367 3.831 30 20 BHED C=CCC[C@H](C)NCc1cccc(CSC)c1 437109439 XHZLXLZRECACCM-ZDUSSCGKSA-N 249.423 3.994 30 20 BHED C=CCN(C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 437959797 UMAVTKSZXVPUNB-HZPDHXFCSA-N 229.367 3.615 30 20 BHED C=C1CCN(CCCc2ccccc2C)CC1 440319167 XJLITXDDRYCCJL-UHFFFAOYSA-N 229.367 3.580 30 20 BHED CCC1(CN[C@H]2CC[C@@H](C#N)C2)CCCCC1 442841838 GYBFUCNDXWEJAF-KGLIPLIRSA-N 234.387 3.629 30 20 BHED Cc1ccsc1CN1CCCC(C)(C)[C@H]1C#N 446976786 YGLPDGBNEDRNHX-CYBMUJFWSA-N 248.395 3.571 30 20 BHED C=CCC1(C(=O)N[C@H](C)[C@H](C)CC)CCCC1 449805451 PGLMIWXUDGWAEW-CHWSQXEVSA-N 237.387 3.674 30 20 BHED CC1(C)C[C@H]2C[C@@](C)(CN2CC2(C#N)CCC2)C1 450211717 BCPLYAGHCBXBBN-DZGCQCFKSA-N 246.398 3.581 30 20 BHED C=CCCCCCN(C)C(=O)[C@H](C)C1CCC1 457577795 NILAYRAFHMIFMW-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=CC[C@H](CC)N[C@H](C)Cc1ccccc1C 466389446 QWCSLJRPCSWZTN-ZBFHGGJFSA-N 231.383 3.870 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C[C@H]1CCC[C@H](C)C1 488878902 QTZDCJHSBRKSJT-SOUVJXGZSA-N 249.398 3.770 30 20 BHED C=C(CC)CNc1ccccc1OCC1CC1 537993586 OQVBBXKWPFUMQJ-UHFFFAOYSA-N 231.339 3.854 30 20 BHED N#C[C@@H]1CC[C@@H](N[C@@H]2CCCCC23CCCC3)C1 556179603 TXSRFUVFKVYFMV-RBSFLKMASA-N 246.398 3.771 30 20 BHED CC(C)=CCC[C@@H](C)CCNCC1(C#N)CC1 563854029 RDIMFUYIDUGQAZ-CQSZACIVSA-N 234.387 3.652 30 20 BHED C=CCCCCn1ccc(C(C)(C)C)cc1=O 576450444 IYVFSOVSLRVXSV-UHFFFAOYSA-N 233.355 3.502 30 20 BHED COCCCCCSc1ccc(C#N)c(C)c1 576518240 QIHBNXSVTSJZKD-UHFFFAOYSA-N 249.379 3.776 30 20 BHED CC[C@@H](C)n1cc(-c2ccc(C)c(C#N)c2)cn1 600795040 WFAGGRAIKDFVSO-GFCCVEGCSA-N 239.322 3.701 30 20 BHED C[C@H](CCC#N)CN1CCC2(CCCCC2)C1 602474977 KCBKEDWCIGGDLW-CQSZACIVSA-N 234.387 3.582 30 20 BHED C=CCC1(NCCCOC(C)C)CCCCC1 625936731 VQIYCNALAAFFTP-UHFFFAOYSA-N 239.403 3.670 30 20 BHED C=C[C@@](C)(CC)C(=O)N1C2CCCC1CCC2 682437760 YIWZAGMBEQYKIQ-PIMMBPRGSA-N 235.371 3.522 30 20 BHED C=CCCOC(=O)c1oc2c(F)cccc2c1C 729073619 GLTSULYOHRQCTB-UHFFFAOYSA-N 248.253 3.613 30 20 BHED O=C(/C=C\c1nc(Cl)cs1)c1ccccc1 759069657 ALUBQCAKIIFQML-SREVYHEPSA-N 249.722 3.693 30 20 BHED CC(C)=CCC/C(C)=C\C=NN=c1cc[nH]cc1 779808626 NHSOMAKCPAQDJU-WFRFBJDTSA-N 243.354 3.594 30 20 BHED C/C(C=NNC1CCCCC1)=C/c1ccccc1 786041033 UMVFTGFDJSZZOM-SMELDSSUSA-N 242.366 3.998 30 20 BHED CC(=NNC1CCCCC1)c1ccc(C)s1 786043859 ZWSWNTHPFPQRSG-UHFFFAOYSA-N 236.384 3.703 30 20 BHED CCCC(=NNc1nccn1C)C1CCCCC1 790303831 YEBJPYSLLLKOFW-UHFFFAOYSA-N 248.374 3.568 30 20 BHED CC(C)CCCCCCN[C@@H]1CC[C@@H](C#N)C1 799716799 YDXCPPJNALVHDL-HUUCEWRRSA-N 236.403 3.875 30 20 BHED Cc1cc(C(=O)/C=C\c2cccs2)oc1C 799897245 NKDFTPPKOHTMQN-WAYWQWQTSA-N 232.304 3.854 30 20 BHED C#C[C@@H](NC(=O)C1(CC)CCCCC1)C(C)(C)C 807884137 JPDKPABAZBAJCJ-CYBMUJFWSA-N 249.398 3.511 30 20 BHED Cc1sccc1C=NOCc1ccc(F)cc1 814903576 PRCJGGWMWQTYHK-UHFFFAOYSA-N 249.310 3.746 30 20 BHED C=C(Cl)CSc1cccc(F)c1C#N 821043809 KJPFLGXHZGGYAU-UHFFFAOYSA-N 227.691 3.542 30 20 BHED C=CCON=C[C@H]1CCC[C@H](C(F)(F)F)C1 853354915 BLZVMIIVKAWJGW-UWVGGRQHSA-N 235.249 3.544 30 20 BHED C=CCN(C(=O)Nc1ccccc1C=C)C(C)C 880213106 LJQHVYLABILRGY-UHFFFAOYSA-N 244.338 3.758 30 20 BHED CCCCCCCC(=O)OCCC(F)(F)F 919222136 JWAJZDJGMPVVRZ-UHFFFAOYSA-N 240.265 3.843 30 20 BHED Cc1cc(NCc2ccccc2C#N)ccc1F 61096753 WSBWEEOFPKVDEW-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CC[C@H]1CCC[C@H](Nc2snc(C)c2C#N)C1 92912587 VCZFVMPKABEBDU-QWRGUYRKSA-N 249.383 3.704 30 20 BHED CCCCCCCNCc1cccc(C)c1O 106217310 QRJJQCPZHOTUOW-UHFFFAOYSA-N 235.371 3.761 30 20 BHED C[C@H]1C[C@H](c2ccccc2)CN1CCCCC#N 115553340 KEHYHDSNJWJWQB-HOCLYGCPSA-N 242.366 3.558 30 20 BHED C=CC[C@@H](C)NC(=O)C[C@@H](C)C1CCCCC1 116849960 ZNFKFEWLBHTVKC-CHWSQXEVSA-N 237.387 3.674 30 20 BHED C=CCCN[C@H](C)c1ccc(C)c(C)c1 162197264 XHGWFVJPPSOVJK-CYBMUJFWSA-N 203.329 3.530 30 20 BHED C=CC[C@@H](C)NCC[C@@H](C)c1ccccc1 169107450 OZFMTLKVFHXCSS-ZIAGYGMSSA-N 217.356 3.734 30 20 BHED C=CC[C@@H](C)NCc1ccc(OCC2CC2)cc1 191104605 XZPGODDOLSRAPT-CYBMUJFWSA-N 245.366 3.530 30 20 BHED O=C(/C=C\c1cccc(O)c1)C1CCCCC1 213482509 DFZGKWDDKCMMTF-KTKRTIGZSA-N 230.307 3.555 30 20 BHED CCC(CC)N[C@@H](C)c1ccc(C#N)c(F)c1 271971380 WRYHUQNNAQRKDC-JTQLQIEISA-N 234.318 3.537 30 20 BHED C[C@H](CCC#N)N1CC[C@@H](c2ccccc2)[C@H]1C 299195475 DYMJIQMRCJLVDI-IIAWOOMASA-N 242.366 3.557 30 20 BHED C=C[C@@H](C)Nc1ncc(-c2ccccc2)s1 301611927 RXMXSUWBXHDBBA-SNVBAGLBSA-N 230.336 3.797 30 20 BHED C[C@@H](CCC1CC1)Nc1ncc(C#N)cc1Cl 302215141 HHWMTHPXWAKLLM-VIFPVBQESA-N 249.745 3.597 30 20 BHED C=CCCCCNCc1ccc([C@H]2C[C@@H]2C)o1 310179164 NABGHQFHUOLIRL-JSGCOSHPSA-N 233.355 3.849 30 20 BHED C=C(CC)CN[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21 313483964 NPVQAFDACKXWFV-CHWSQXEVSA-N 245.366 3.805 30 20 BHED Cc1ccc(C#N)c(Nc2ccc3ccoc3c2)n1 342960288 MORQCUBCKHAPOL-UHFFFAOYSA-N 249.273 3.752 30 20 BHED C=CCCC(=O)N1C[C@H](C(C)C)c2ccccc21 347563889 LAZBUDFWNSBADJ-CQSZACIVSA-N 243.350 3.739 30 20 BHED CC(C)(CCC#N)CN1CCC[C@@H]1C(C)(C)C 353457062 YLSIMLJIDOEHOP-CYBMUJFWSA-N 236.403 3.827 30 20 BHED C=CCOCCS[C@@H](CC)CCC 378867900 GIBVVRYMFSSJTJ-NSHDSACASA-N 202.363 3.501 30 20 BHED C=C[C@@H](C)NCc1ccc(C2CCC2)cc1 382106049 IIYAFJLFHNINEC-GFCCVEGCSA-N 215.340 3.618 30 20 BHED C=C(C)CCN[C@H](C)c1cc(C)ccc1OC 386784227 MYSATNODSQYDLP-CYBMUJFWSA-N 233.355 3.620 30 20 BHED N#CC[C@H]1CCCN([C@@H]2C=CCCCCC2)C1 397810231 ODLXVESYBHAXGP-HUUCEWRRSA-N 232.371 3.501 30 20 BHED C[C@H](CCC1CC1)N[C@H](C)c1cccc(C#N)c1 398110600 YIWRKXZSIFIUBO-CHWSQXEVSA-N 242.366 3.788 30 20 BHED CC(C)(C#N)CCCCSCCCF 435880878 MSTFOFIESNYYSD-UHFFFAOYSA-N 217.353 3.799 30 20 BHED C=CCC[C@H](NCCCc1ccccc1)C1CC1 439085409 NWVYRTSWYPRZRW-KRWDZBQOSA-N 243.394 3.954 30 20 BHED C=CCC[C@@H](NC[C@@H]1CCCC1(F)F)C1CC1 453315018 GKMSFIQAJLPJFF-QWHCGFSZSA-N 243.341 3.756 30 20 BHED C=CCCCCNC(=O)[C@@H]1CCCC(C)(C)C1 471713941 OVKQNQDBQMXPRD-CYBMUJFWSA-N 237.387 3.675 30 20 BHED C=CC[C@@H](C)[C@H](C)NCC1(OC)CCCCC1 480703629 BFCKWLBNNCQORP-KGLIPLIRSA-N 239.403 3.526 30 20 BHED CC1=CCC[C@@H](C)[C@@H]1CN(CCC#N)C(C)C 527493062 JRXJPRQEROPWMY-HUUCEWRRSA-N 234.387 3.603 30 20 BHED C=CC1CCN(C/C=C\c2ccc(F)cc2)CC1 536673549 KSULHBQNOIGHBN-ARJAWSKDSA-N 245.341 3.737 30 20 BHED CC(C)(CCC#N)CN1CC(C)(C)[C@H]2CCC[C@@H]21 552138410 PKUGQXOOXLFRMC-KBPBESRZSA-N 248.414 3.827 30 20 BHED C=CC[C@@H](C)N[C@@H](Cc1ccccc1C)C1CC1 560246023 YNCFAZMGRBYXGG-PBHICJAKSA-N 243.394 3.870 30 20 BHED CCC(CC)(CC)CN1CCC(C)(C#N)CC1 568910123 ZFAOGKQTCSRQGX-UHFFFAOYSA-N 236.403 3.828 30 20 BHED Cc1ccc2c(c1)CC[C@@H]2NC[C@H](C)CCC#N 602519994 COQDLHZQBASKDM-CJNGLKHVSA-N 242.366 3.512 30 20 BHED C=C(C)CCNC1(c2ccccc2C)CC1 645980932 UEJCRLBCJIMCQZ-UHFFFAOYSA-N 215.340 3.540 30 20 BHED C=CCCCC[C@@H](C)N[C@H](C)c1cccnc1 678698413 RFNLUDWTWAAVPI-ZIAGYGMSSA-N 232.371 3.867 30 20 BHED CCCCCCCC(=O)N1CCC[C@@H](C)CC1 745100405 PFZNNMVDLHVHSP-CQSZACIVSA-N 239.403 3.996 30 20 BHED CCCCC=NNc1ccc(OC(F)F)cc1 755683330 PIXZQPPZIKBIQV-UHFFFAOYSA-N 242.269 3.876 30 20 BHED CCCCCCCC(=O)N[C@H]1CCC(F)(F)C1 763870757 MOTPKWMNTKSBNR-NSHDSACASA-N 247.329 3.651 30 20 BHED C=CCN(C(=O)CCCCCCC)C1CC1 771819537 SHKVALUYTBEKLJ-UHFFFAOYSA-N 223.360 3.524 30 20 BHED C#CCCN[C@@H](c1ccc(Cl)cc1)C1CCC1 775379334 QZGMWFIDEFSGQZ-OAHLLOKOSA-N 247.769 3.794 30 20 BHED CCCC(CC)=NOCc1ccccc1 776186538 UWUJGDUDAZYXEW-UHFFFAOYSA-N 205.301 3.769 30 20 BHED C=CCCC(CC)=NOCCC(F)(F)F 777462877 PUQQYNAJQLPJOC-UHFFFAOYSA-N 223.238 3.688 30 20 BHED Cc1cccc(C)c1C=NN[C@H](C)C(C)(C)C 793113626 BHERWJKLFHWBBJ-CYBMUJFWSA-N 232.371 3.662 30 20 BHED CC[C@@H](C)CON=C(C)Cc1ccccc1OC 793143998 BDOMCQISMQVISN-GFCCVEGCSA-N 249.354 3.676 30 20 BHED CCC(CC)(CC)SCCO[C@H](C)C#N 801659240 DKRLSABWXOOKKH-LLVKDONJSA-N 229.389 3.617 30 20 BHED CC(C)CCC(=NOCC(F)(F)F)C1CC1 802711901 ANRFHIPMQLESRH-UHFFFAOYSA-N 237.265 3.768 30 20 BHED c1ccc2nc(NN=C3CC4(CC4)C3)ccc2c1 814697270 GYWLWMMUEITQFZ-UHFFFAOYSA-N 237.306 3.577 30 20 BHED Cc1ccc(F)c(NN=CCCC(C)C)c1 814872573 QPWMRBPRUZFRCQ-UHFFFAOYSA-N 222.307 3.968 30 20 BHED C#CCON=C1CCCC[C@@H]1C1CCCCC1 814936463 TZSFLYAXZGFUBL-CQSZACIVSA-N 233.355 3.763 30 20 BHED CCC(=NN[C@H](C)c1ccncc1)[C@@H]1CC1(C)C 819817578 BGHRMPBLCXXCJK-YPMHNXCESA-N 245.370 3.544 30 20 BHED C=C[C@H](C)ON=C(C)[C@H](C)c1ccccc1 844621539 IZPIKGXJVBNVQT-RYUDHWBXSA-N 217.312 3.757 30 20 BHED C=C[C@@H](C)OC(=O)[C@H](C)c1ccc(Cl)cc1 845521919 GKDKCGGPFHUOCE-NXEZZACHSA-N 238.714 3.561 30 20 BHED CCCCCCCNC(=O)C[C@@H](C)C1CC1 862360218 XWVTUVKNTPWGGY-GFCCVEGCSA-N 225.376 3.509 30 20 BHED C=CCCCN[C@H](CC)c1cccc(C#N)c1 902976330 OVCHKBMDOAYENT-OAHLLOKOSA-N 228.339 3.565 30 20 BHED CCC(=NNc1ccc(F)cc1F)C(C)C 916248225 SVGUZSLIYSQGNY-UHFFFAOYSA-N 226.270 3.799 30 20 BHED Fc1c(Cl)cccc1NN=C1CCCC1 921137640 GHSNLSOEUFLEAU-UHFFFAOYSA-N 226.682 3.821 30 20 BHED CCC[C@@H](Nc1ncccc1C#N)C1CCCC1 1186675294 FYKDVKQLAUDVIX-CQSZACIVSA-N 243.354 3.724 30 20 BHED C=C[C@@H](COC)N[C@@H](CCC)C1CCCCC1 1320592106 NEEYETBCZTVWCI-GJZGRUSLSA-N 239.403 3.526 30 20 BHED CC1=CCC[C@H](C)[C@H]1C=NOC(C)(C)C 1341691749 LWZZDHVDSYDRGL-RYUDHWBXSA-N 209.333 3.780 30 20 BHED C[C@H]1CCCC[C@H]1COc1ccccc1C#N 1472939147 QAKUZNLWLYHGAG-JSGCOSHPSA-N 229.323 3.763 30 20 BHED CCCC[C@H](C)Nc1cccc(OCC#N)c1 37300650 AQJFAJBUYHAYIC-LBPRGKRZSA-N 232.327 3.580 30 20 BHED C[C@@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)cc1 55386466 BYRQBPZWWONLPS-CZUORRHYSA-N 242.366 3.569 30 20 BHED C=CCCCN[C@@H](C)c1ccccc1C 70592006 LBZXITOYSDFAAF-ZDUSSCGKSA-N 203.329 3.612 30 20 BHED C[C@@H]1Cc2ccccc2N1CCCC(C)(C)C#N 87608418 BHKJWGNYIVLPIJ-CYBMUJFWSA-N 242.366 3.768 30 20 BHED C=C(Br)CN[C@H](C)CCC=C(C)C 125051633 PTJQYLDDHSFBSA-LLVKDONJSA-N 246.192 3.620 30 20 BHED C=CCC[C@@H](C)Nc1ccc(CC#N)cc1 130780230 YFCUBELSTQJFOJ-GFCCVEGCSA-N 214.312 3.519 30 20 BHED CCC[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 131457716 TWTNXJXTABAZHE-GFCCVEGCSA-N 248.395 3.632 30 20 BHED C=CCNc1ccc(C)cc1OCC(F)(F)F 133123368 VJOUEILBGPJGCM-UHFFFAOYSA-N 245.244 3.534 30 20 BHED CC(C)C1(CNc2cccc(F)c2C#N)CC1 227823625 GPDPRBSUKAZACC-UHFFFAOYSA-N 232.302 3.545 30 20 BHED Cc1ccc(C)c(N=Cc2ccccc2O)c1 252462203 QPXQTGFTSHXDAJ-UHFFFAOYSA-N 225.291 3.760 30 20 BHED Cc1cccc(C(=O)/C=C\c2ccc(O)cc2)c1 254970092 MEFQWWTUOJVACW-YFHOEESVSA-N 238.286 3.597 30 20 BHED CCC(CC)c1noc(-c2cc(C#N)cs2)n1 273854771 LTPUXVZNMTYKOX-UHFFFAOYSA-N 247.323 3.573 30 20 BHED C[C@@H](CNc1cccc(OCC#N)c1)C(C)(C)C 302370899 CMMYFDDELDEJIP-LBPRGKRZSA-N 246.354 3.683 30 20 BHED C[C@H](CCC(C)(C)C)Nc1cc(C#N)ccn1 342416620 QBELVVXDMSGSQJ-LLVKDONJSA-N 231.343 3.580 30 20 BHED C[C@H]1CCC[C@H](CSCC2(C#N)CC2)C1 344474662 XOSUISXWLPRDJU-RYUDHWBXSA-N 223.385 3.850 30 20 BHED CN(CCC#N)[C@@H]1CCCC[C@H]1c1ccccc1 353229998 MRSXMFAUPWCNEB-JKSUJKDBSA-N 242.366 3.558 30 20 BHED C=C(Cl)CSCc1nc(C)sc1C 379354001 HDHSEUQSVNMOQY-UHFFFAOYSA-N 233.789 3.746 30 20 BHED C=CCCCCCCNC(=O)c1ccccc1 380037253 QTAUFMCKSSWKCF-UHFFFAOYSA-N 231.339 3.553 30 20 BHED C=C(Br)CN[C@@H](C)[C@H](C)CCCC 393709852 GMHAZLYLRWTWOW-KOLCDFICSA-N 248.208 3.699 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccc(C)cc1 424527086 OTLOVWWCKIPPLM-UHFFFAOYSA-N 217.312 3.536 30 20 BHED CC[C@@H]1CCC[C@@H]1NCc1ccc(C#N)c(C)c1 443999231 CALRZNXMSQZTCQ-ZBFHGGJFSA-N 242.366 3.535 30 20 BHED CCCC[C@@H](CC)NCCc1cccc(C#N)c1 467436413 BQKOMHWPODTFOP-MRXNPFEDSA-N 244.382 3.659 30 20 BHED CC#CCN1CCC[C@H]1[C@@H](CC)c1ccccc1 524768132 RNBYMIGCHBLKAU-IRXDYDNUSA-N 241.378 3.668 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H](C)CCc1ccco1 532461691 OCRZPHCVXCJIFQ-IHRRRGAJSA-N 235.371 3.791 30 20 BHED C=CCCCCOc1cccc(C(C)=O)c1 566904852 YFMFXUNKSWDFGH-UHFFFAOYSA-N 218.296 3.624 30 20 BHED CC[C@H](C)[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 570439712 XNXNYYCTLWSILA-MQIPJXDCSA-N 242.366 3.570 30 20 BHED Cc1cc(C#N)ccc1CSCCCCF 586750934 YOSIZAOEXVWOGL-UHFFFAOYSA-N 237.343 3.850 30 20 BHED C=CCOc1cccc(CN[C@@H](CC)CCC)c1 591710989 YMKABMPOANPGHR-HNNXBMFYSA-N 247.382 3.920 30 20 BHED C[C@H](N[C@@H](C#N)c1ccccc1)C1CCCCC1 595409919 HFILSOMUFNWDCN-BBRMVZONSA-N 242.366 3.810 30 20 BHED C=CCSCCCOCCc1ccccc1 609633866 XFHAHVCAXQYONS-UHFFFAOYSA-N 236.380 3.555 30 20 BHED C[C@H](CC(C)(C)C#N)NCCC1=CCCCC1 695810677 GLBHKULZWWEAKX-CYBMUJFWSA-N 234.387 3.795 30 20 BHED C[C@@H](CC(C)(C)C#N)NCC(C)(C)C(C)(C)C 695836316 LOVNGJYAGGJICZ-LBPRGKRZSA-N 238.419 3.977 30 20 BHED C=CCCOC(=O)[C@H](CC)CC1CCCC1 734080042 IHOYFBUGOGRTQH-CYBMUJFWSA-N 224.344 3.712 30 20 BHED C(=NNc1ccccc1)[C@H]1C[C@H]1c1ccccc1 755461126 ALBPAQDTXXDGTM-ZBFHGGJFSA-N 236.318 3.888 30 20 BHED C(=NNc1ccccc1)[C@H]1CCc2ccccc21 755462162 PEQDQMMJFCAPJO-CQSZACIVSA-N 236.318 3.814 30 20 BHED CCCCC(CC)=NN=c1cc[nH]cc1Cl 756842619 WKTWDZGOCCKJDL-UHFFFAOYSA-N 239.750 3.525 30 20 BHED CC[C@@H]1C[C@@H](C)CCC1=NOCc1cccnc1 769583094 CCPVVELENMWCBX-GXTWGEPZSA-N 246.354 3.800 30 20 BHED Cc1cccc(F)c1NN=Cc1cccc(F)c1 769828665 UPXPJAZKLLVULE-UHFFFAOYSA-N 246.260 3.719 30 20 BHED CCCCCCCSCc1ccnn1C 773286368 ZHCGQFRYJKGIFO-UHFFFAOYSA-N 226.389 3.624 30 20 BHED CCC(CC)CNN=C(C)CCc1ccco1 774473035 JYVXQGQRWBTYLE-UHFFFAOYSA-N 236.359 3.614 30 20 BHED CCCC(=NN=c1cc[nH]cc1)C1CCCCC1 779809287 VZAYHTUKTPDJGE-UHFFFAOYSA-N 245.370 3.652 30 20 BHED C=C(Cl)CNC(=O)[C@@](C)(CC)CCCCC 780762032 PZJUBCROLLFBEM-ZDUSSCGKSA-N 245.794 3.852 30 20 BHED C=C[C@](C)(CC)C(=O)Oc1ccccc1Cl 786607688 ABOCDWIMHUZRSF-CYBMUJFWSA-N 238.714 3.848 30 20 BHED C(=NOCC1CC1)c1ccc2ccccc2c1 814243332 QUPVYWKEPJFQBI-UHFFFAOYSA-N 225.291 3.600 30 20 BHED C=CCCCCC(C)=NNc1ccccn1 834926316 XYJSPEKPSYILQR-UHFFFAOYSA-N 217.316 3.616 30 20 BHED C=CC(C)(C)COC(=O)C1CCC(F)(F)CC1 835723469 XSKNLEMCRTWKMV-UHFFFAOYSA-N 246.297 3.567 30 20 BHED C=C(C)COC(=O)/C=C\c1ccc(Cl)s1 839240999 GNNFOUGUYKWFBM-XQRVVYSFSA-N 242.727 3.534 30 20 BHED CC1(C)CCCC1=NNc1ccnc(Cl)c1 853394854 AWSYPQGCIAUMFH-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C=C1CC(c2noc(C(C)(C)CCC)n2)C1 896875020 ZZXMLDLAEVNFPZ-UHFFFAOYSA-N 220.316 3.581 30 20 BHED CC(=NNc1ccccc1)c1cccc(F)c1 916245861 GPRMTZJMSKHBEY-UHFFFAOYSA-N 228.270 3.662 30 20 BHED C=C(C)CCC(=O)N(C)[C@@H](C)c1ccccc1 1120870386 WDDLPPSOBOZJAG-ZDUSSCGKSA-N 231.339 3.562 30 20 BHED Cc1cccc(SCc2cc(C#N)ccn2)c1 1307296908 GOZXXPFPSPRYPY-UHFFFAOYSA-N 240.331 3.554 30 20 BHED CCC(=NOC(C)(C)C)c1ccsc1 1330722440 XYMHMCIVKFMFEZ-UHFFFAOYSA-N 211.330 3.677 30 20 BHED C=C(C)CCNC(=O)[C@H](CC)CCCCC 1330800890 VISRMTPCHPMJNR-CYBMUJFWSA-N 225.376 3.675 30 20 BHED C=CCC[C@H]1CCCN1C(=O)C[C@@H](C=C)CC 1337549120 BJTGGYALOGDGMQ-KBPBESRZSA-N 235.371 3.546 30 20 BHED C=C(CC)C(=O)N1CCC[C@@H]1c1ccccc1C 1527475235 SBZQMLAIHTZTJP-OAHLLOKOSA-N 243.350 3.625 30 20 BHED O=C(/C=C/c1cccs1)c1ccsc1 5852215 WJVQHLMTEUFIKK-ONEGZZNKSA-N 220.318 3.706 30 20 BHED CC[C@@H](Nc1cc(C#N)ccn1)C1CCCCC1 52341298 JPBPRXUMJSBVMK-CQSZACIVSA-N 243.354 3.724 30 20 BHED C[C@H](N[C@H](C)c1ccc(C#N)cc1)C1CCCC1 54079162 CZFPOHVXAPCZOK-QWHCGFSZSA-N 242.366 3.788 30 20 BHED Cc1ccc(NCCC(C)(C)C#N)cc1C 83637834 LKSDIDHGPAGQPJ-UHFFFAOYSA-N 216.328 3.655 30 20 BHED C[C@H](CC1CC1)N[C@H](CCC#N)c1ccccc1 90666046 MLMUNOIVFGSMAA-CZUORRHYSA-N 242.366 3.810 30 20 BHED CCc1ccccc1NCC(C)(C)CCC#N 92108340 QMOGJMDPQNOMGD-UHFFFAOYSA-N 230.355 3.991 30 20 BHED CCCCCCC(=O)Nc1cc(C#N)ccc1C 125745921 YOBISXDBDCBBRR-UHFFFAOYSA-N 244.338 3.776 30 20 BHED C=C(Cl)CN[C@H](CC)c1cccc(F)c1 164088751 PKCDAYDFSAQUJO-GFCCVEGCSA-N 227.710 3.619 30 20 BHED C=CCCCN[C@@H]1CCCC[C@H]1SCC 190023683 HHTYYZQMUMJPLX-CHWSQXEVSA-N 227.417 3.607 30 20 BHED C[C@H]1[C@H](c2ccccc2)CCN1[C@H](C)CCC#N 299195476 DYMJIQMRCJLVDI-IJEWVQPXSA-N 242.366 3.557 30 20 BHED C[C@H]1CC(C)(C)CC[C@H]1Nc1ncccc1C#N 301579082 ZTNYDOHEMLERFP-WCQYABFASA-N 243.354 3.580 30 20 BHED CCCCCCCNCc1ccc(Cl)o1 308969808 YLSUGFWDRFLYJH-UHFFFAOYSA-N 229.751 3.993 30 20 BHED C=CCC[C@H](C)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 309582429 QUFMWQXNKOJFAL-GBJTYRQASA-N 221.388 3.900 30 20 BHED C=C(C)CNC(C)(C)c1ccc(CC)cc1 309980994 WCNRQFRACWVIFX-UHFFFAOYSA-N 217.356 3.650 30 20 BHED Cc1cc(COc2cccc(F)c2C#N)cs1 310332901 APDNKAOVAZNAAD-UHFFFAOYSA-N 247.294 3.646 30 20 BHED CC(C)[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 341761243 OXMCDQLGLANDFU-WBMJQRKESA-N 242.366 3.570 30 20 BHED C=CCSCc1cccc(OC(C)(C)C)n1 350143751 AOPXBDJZQVKLJO-UHFFFAOYSA-N 237.368 3.678 30 20 BHED Cc1cc(CSCCCCF)ccc1C#N 350767863 OYOGMGVJAMLVNF-UHFFFAOYSA-N 237.343 3.850 30 20 BHED C=CCC[C@H](NCC=C(C)C)c1ccco1 381469089 LZJAUONZBPHLNP-ZDUSSCGKSA-N 219.328 3.843 30 20 BHED C=CCC[C@H](CCC)N[C@@H]1CCC[C@@H]1F 393520244 NYMPVWXUNMCAOE-RWMBFGLXSA-N 213.340 3.602 30 20 BHED C=CC[C@@H](CC)NCc1sccc1C 393681544 DJEPXGYTQUOIHY-LLVKDONJSA-N 209.358 3.501 30 20 BHED C[C@H]1CCC[C@H](CN2CCC(CCC#N)CC2)C1 399296179 RHYUAGXAAQDQMN-HOCLYGCPSA-N 248.414 3.828 30 20 BHED CCN(CCC1(C#N)CCCCC1)C1CCC1 411289484 HITFKBVSCDXIRZ-UHFFFAOYSA-N 234.387 3.725 30 20 BHED CC[C@@H](N[C@H](C)CCC#N)c1ccc(C)cc1 411436697 IFUCVLKBJITWKJ-UKRRQHHQSA-N 230.355 3.728 30 20 BHED CC[C@H]1CCC[C@H]1CNCc1ccc(C#N)s1 449437304 YTMQXXHFHFDKDW-RYUDHWBXSA-N 248.395 3.536 30 20 BHED CCN(Cc1ccc(C#N)c(C)c1)[C@@H](C)C(C)C 486740603 HYRQEFOTZSZFOW-AWEZNQCLSA-N 244.382 3.733 30 20 BHED CCC[C@@H]1CCCC[C@H]1NCCC(C)(C)C#N 547509682 QEYSGIMBKBOBCE-ZIAGYGMSSA-N 236.403 3.875 30 20 BHED C=CCCC[C@H](C)NC(=O)c1cc[nH]c1C(C)C 560630449 PFBSSDNGZWZWGK-LBPRGKRZSA-N 248.370 3.613 30 20 BHED CCC[C@@H](CNCC(C)(C)C#N)c1ccccc1 612585570 MFLZRCDRMZVCOS-HNNXBMFYSA-N 244.382 3.710 30 20 BHED CCC(CC)NN=Cc1ccc([C@@H]2C[C@H]2C)o1 734364868 IWQZGNAKHMBLNN-ZWNOBZJWSA-N 234.343 3.515 30 20 BHED CCCCCCCn1cnc(-c2ccccc2)n1 735417372 YTRNHQAHQWSXRB-UHFFFAOYSA-N 243.354 3.916 30 20 BHED CCCCCCCC(=O)N(C)CC1CCCC1 746397951 XHKIMUNRZXMDST-UHFFFAOYSA-N 239.403 3.996 30 20 BHED CON=C1C[C@@H](C)C[C@H](c2ccccc2)C1 749859754 YIAYJQYTLVWZFQ-AAEUAGOBSA-N 217.312 3.593 30 20 BHED CC(C)C(=NNc1ccc(F)cc1)C1CC1 750916279 IWEYQCRUNQZNSU-UHFFFAOYSA-N 220.291 3.660 30 20 BHED CC(C)c1ccc(C=NO[C@H]2CCCCO2)cc1 755816968 ILBUNDURVCJFCQ-HNNXBMFYSA-N 247.338 3.687 30 20 BHED C=CCCCC(=O)N1CCC(CC(C)C)CC1 760941348 SVIIWAKMEAKBHR-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CCCO[C@@H](C)c1nc([C@@H](C)CCC)no1 761851779 PFSZBCGYTOFGDA-QWRGUYRKSA-N 238.331 3.627 30 20 BHED COc1ccc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)cc1 762434411 OWUVCDWMMUJGAI-RWMBFGLXSA-N 244.338 3.529 30 20 BHED Cc1ccc(F)c(CN(CCC#N)CC(C)C)c1 768155262 XLHLHIIVVGMRPY-UHFFFAOYSA-N 248.345 3.506 30 20 BHED CCCCNN=C(C)C[C@@H](C)CC(C)C 779772237 GPSPPJBEIYTFNU-LBPRGKRZSA-N 212.381 3.824 30 20 BHED CC1CCC(=NNCCC(C)(C)C)CC1 782903552 XIYJOSBVQOKCSB-UHFFFAOYSA-N 210.365 3.578 30 20 BHED CC[C@@H]1CCC[C@@H](C=NNc2ccccn2)C1 783805317 SSYXIKQMEUMMIQ-CHWSQXEVSA-N 231.343 3.696 30 20 BHED Cc1ccc(N(C)C[C@H](C)CCC#N)c(C)c1 787777815 UJSXWSHKDJVGLL-CYBMUJFWSA-N 230.355 3.680 30 20 BHED CC[C@@H]1CCCC1=NOCc1ccccc1OC 799118176 ZPVWXBXQMVLDDR-GFCCVEGCSA-N 247.338 3.778 30 20 BHED CCCC(CC)=NOCc1ccccc1OC 799118944 BGOYUOAMDYBRQE-UHFFFAOYSA-N 235.327 3.778 30 20 BHED CCCCCCCCOC(=O)c1coc(C)n1 801389273 JNXAOIWTIBFNNM-UHFFFAOYSA-N 239.315 3.500 30 20 BHED CC(=NOC1CCC1)c1ccc(Cl)s1 812236857 XFVZAMMAASLKTK-UHFFFAOYSA-N 229.732 3.695 30 20 BHED CC(C)O[C@@H](C=NOCC1CC1)c1ccccc1 814243357 ROUVANBSKFKTSW-HNNXBMFYSA-N 247.338 3.565 30 20 BHED CCC(=NNc1ccc(OC)cc1)c1ccco1 814885398 YURJFTRMHBVZSL-UHFFFAOYSA-N 244.294 3.514 30 20 BHED C=CCN(C/C(Cl)=C/Cl)C(C)(C)C 852554123 CXDJXYCXRVJFAE-CLFYSBASSA-N 222.159 3.592 30 20 BHED C=CC[C@H](C)C(C)=NNc1ccnc(Cl)c1 853394575 TXUWBVMHQKGCQJ-VIFPVBQESA-N 237.734 3.735 30 20 BHED C=CCC[C@H](CC)N[C@@H](c1ccncc1)C1CC1 898322410 KUAGTFAZRYAARV-JKSUJKDBSA-N 244.382 3.867 30 20 BHED C=C[C@H](CC)CC(=O)O[C@H](CC)c1ccncc1 905931107 MUBHKGWWXZNGDM-TZMCWYRMSA-N 247.338 3.678 30 20 BHED CC[C@@H](C#N)SCc1cccc(F)c1F 918861081 IJPKHUFEJOBNHF-VIFPVBQESA-N 227.279 3.500 30 20 BHED C=C(C)CCC(=O)N1CCC[C@@H]1c1cccs1 1335511900 FRSSEHATOCEKJJ-GFCCVEGCSA-N 249.379 3.768 30 20 BHED CC(C)(CC#N)CSC1=Nc2ccccc2C1 1350109039 UMATWXDPPVTHJT-UHFFFAOYSA-N 244.363 3.946 30 20 BHED C[C@@H](CC1CCCCC1)CN1CCC[C@H](C#N)C1 1561003973 OCKFSYHRXVCVDY-GOEBONIOSA-N 248.414 3.828 30 20 BHED C=C(CNCc1cccc(F)c1)c1ccccc1 110057689 BCDVKDFONOMRNM-UHFFFAOYSA-N 241.309 3.629 30 20 BHED CCCCCCCOC(=O)Cc1cccs1 142824170 SMBURDUAEXPIKP-UHFFFAOYSA-N 240.368 3.804 30 20 BHED C=CCCNC1CC(c2cccc(Cl)c2)C1 168518717 XZRGXOROYIFDFD-UHFFFAOYSA-N 235.758 3.752 30 20 BHED CCOc1ccccc1N[C@@H]1CCC[C@H](C#N)C1 185729323 MTYVJIFQEDGPAM-QWHCGFSZSA-N 244.338 3.580 30 20 BHED O=C(/C=C/c1cccc(F)c1)c1ccsc1 194614917 OMSJJHGGDFICRG-SNAWJCMRSA-N 232.279 3.783 30 20 BHED CCCCCCCCS[C@@H](C)[C@H](C)O 231174374 TUKKHKNLTMURAF-RYUDHWBXSA-N 218.406 3.849 30 20 BHED C=CC[C@@H](C)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 245507476 ICPKRCUCGIKUKO-MGPQQGTHSA-N 237.387 3.530 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1cccc(C#N)c1 281386917 ZFWBBXWUDUZMEO-SWLSCSKDSA-N 228.339 3.564 30 20 BHED C=CCCC[C@@H](C)Nc1ccnc(Cl)c1 301994375 GYQGYQRJPPKFHF-SNVBAGLBSA-N 224.735 3.892 30 20 BHED C=C(Cl)COc1ccc(Cl)cc1F 307731592 KGXSMDFBNUWZHP-UHFFFAOYSA-N 221.058 3.610 30 20 BHED C=CCCCCNCc1cc(Cl)cs1 308450196 BDWRGICREBOWDO-UHFFFAOYSA-N 229.776 3.847 30 20 BHED CSc1ccccc1N[C@@H]1CC[C@H](C#N)C1 335604831 RVFUAYBUTLTMRF-WDEREUQCSA-N 232.352 3.513 30 20 BHED C=CCn1nccc1-c1ccc(F)c(Cl)c1 339076140 VETDRZDDTULTPA-UHFFFAOYSA-N 236.677 3.529 30 20 BHED N#CC1(CN2CCC[C@H]2CCC2CCCC2)CC1 347476924 JRRVJBRONSZXCV-HNNXBMFYSA-N 246.398 3.725 30 20 BHED C=CCCC1(C(=O)N(C)[C@H]2CCC[C@H](C)C2)CC1 361528354 VTKGTPDSRVIIHX-KBPBESRZSA-N 249.398 3.770 30 20 BHED C=CCSCc1ccc(SC)cc1 379370914 GXIRXCZPXBDAQD-UHFFFAOYSA-N 210.367 3.828 30 20 BHED C=CCCCCCCN[C@@H](C)c1cccnc1 379895426 BWHBSSPXSQKTNK-AWEZNQCLSA-N 232.371 3.869 30 20 BHED C=C[C@H](C)NC[C@@H](C)c1cccc(Cl)c1 382354714 GBAFZFZVEAHASD-MNOVXSKESA-N 223.747 3.608 30 20 BHED C=CCc1ccc(OCCC2CC2)c(OC)c1 437624593 KCGYPXGVCRRWKX-UHFFFAOYSA-N 232.323 3.603 30 20 BHED CC(C)(CN[C@H]1CC[C@@H](C#N)C1)C1CCCCC1 442824583 HEZQGWVZLQEDBH-HIFRSBDPSA-N 248.414 3.875 30 20 BHED CC1(C)CCCN(CC2CCCCC2)[C@H]1C#N 444733358 XDNBSKFNHNRLHU-AWEZNQCLSA-N 234.387 3.581 30 20 BHED C=CCCCC(=O)N1CCC[C@@]1(C)CC(C)C 452518410 ZZJXVSQUAGIJPN-HNNXBMFYSA-N 237.387 3.770 30 20 BHED C=CCCCC(=O)N1CCC[C@]1(C)CC(C)C 452518411 ZZJXVSQUAGIJPN-OAHLLOKOSA-N 237.387 3.770 30 20 BHED C=C(C)CCN[C@H](C)c1ccc2ccccc2n1 453323645 RZWCVBLJEXWYKF-CYBMUJFWSA-N 240.350 3.852 30 20 BHED C=C(C)CN(CC)c1nc2cc(C)ccc2o1 513640412 NLPYQFNWABBCMQ-UHFFFAOYSA-N 230.311 3.539 30 20 BHED C=CCOCCN[C@@H](c1ccccc1)C(C)(C)C 559130951 VGWWHCIPOHHGIZ-HNNXBMFYSA-N 247.382 3.566 30 20 BHED C/C=C\c1ccc(NC[C@H](C#N)CCC#N)cc1 562289825 IQVVAVITWSCPMJ-XBPVQUQDSA-N 239.322 3.575 30 20 BHED C[C@H](SCCC(C)(C)O)c1ccc(C#N)cc1 572015154 LZXRYIYODJSYBL-NSHDSACASA-N 249.379 3.513 30 20 BHED C=CCC[C@@H](C)NCC(C)(C)c1ncccc1C 574369850 QLPFTABZBRIBSE-CQSZACIVSA-N 246.398 3.612 30 20 BHED Cc1cccc(N(C)C[C@@H](C)CCC#N)c1C 585727560 UOTBHYYOMUQCPB-LBPRGKRZSA-N 230.355 3.680 30 20 BHED N#Cc1cncc(-c2ccc(C3CCC3)cc2)c1 592984798 BDUQOLOKBZNPKC-UHFFFAOYSA-N 234.302 3.888 30 20 BHED C=CCCSCCNC/C=C\c1ccccc1 594960475 QYVWQINHEDWYLM-YFHOEESVSA-N 247.407 3.599 30 20 BHED Cc1cc(C)c(/C=C\CNCCCC#N)cc1C 601112804 FXKYTARLUSWQGA-SREVYHEPSA-N 242.366 3.518 30 20 BHED CC(C)=CCNc1cc(C#N)ccc1OC(C)C 610518263 BLVVQGNMJKDUOT-UHFFFAOYSA-N 244.338 3.724 30 20 BHED C[C@H](c1ccc(F)cc1)N1CCC[C@@](C)(C#N)C1 612162294 GLFFKQADNXBJDC-DOMZBBRYSA-N 246.329 3.512 30 20 BHED C=CCCC(C)(C)NC(=O)c1cccc(C)c1C 620863893 HSUREXHYPYHMOY-UHFFFAOYSA-N 245.366 3.778 30 20 BHED C=C(CN[C@@H](C)c1cscn1)c1ccccc1 678114830 NXATUZWYYQYRJE-LBPRGKRZSA-N 244.363 3.507 30 20 BHED C=CCCCOC(=O)c1ccc(F)cc1Cl 735523887 TXDHRFGCIGQJPV-UHFFFAOYSA-N 242.677 3.602 30 20 BHED Fc1cccc(F)c1NN=C1CC2(CCC2)C1 772844319 GICDFMVEASWYNZ-UHFFFAOYSA-N 236.265 3.697 30 20 BHED C=CCN(C)C(=S)Nc1ccc(C(C)C)cc1 777471437 NUXDHRFFTDEZSA-UHFFFAOYSA-N 248.395 3.625 30 20 BHED C[C@@H](C(=O)OCCCC(C)(C)C#N)C(C)(C)C 783681555 JMJKJXNKKUEADN-NSHDSACASA-N 239.359 3.542 30 20 BHED C=CCCN(C)C(=O)[C@@H](CCCCC)C(C)C 786223849 SNMFJHPKOYFILE-AWEZNQCLSA-N 239.403 3.873 30 20 BHED C=CCCCCC[C@H](C)NCc1cnn(CC)c1 793537836 BOSFMSINTCSGHQ-AWEZNQCLSA-N 249.402 3.518 30 20 BHED CCCCCCCN[C@H]1CCC12CCOCC2 800483162 AXKPOWIDYGIWTR-AWEZNQCLSA-N 239.403 3.506 30 20 BHED CCC(CC)NN=C1CCC[C@@H]1CCCF 800812826 MJNBKNPFQJZOBH-LLVKDONJSA-N 228.355 3.670 30 20 BHED CC(=NNc1ccccc1F)c1cccc(C)c1 812460849 WPGPTPPQFGDKKN-UHFFFAOYSA-N 242.297 3.970 30 20 BHED COc1cccc(NN=C2CC[C@@H]2C2CCC2)c1 814778424 DXRMBBIMOIEURH-CQSZACIVSA-N 244.338 3.673 30 20 BHED CC(CC1CCCC1)=NN[C@H](C)c1ccncc1 819816888 RLNBSDBTNYJPCZ-CYBMUJFWSA-N 245.370 3.688 30 20 BHED CCC[C@H]1CCC[C@H]1C(=O)OC1(CC#N)CCC1 835399827 MMAMBIQRJRYFLD-QWHCGFSZSA-N 249.354 3.582 30 20 BHED C=C[C@H](OC(=O)CC(C)C)c1ccccc1 851453974 VYOLKWFWCHWLFZ-ZDUSSCGKSA-N 218.296 3.503 30 20 BHED C=CCON=C[C@@H]1CCC[C@H](C(F)(F)F)C1 853354922 BLZVMIIVKAWJGW-ZJUUUORDSA-N 235.249 3.544 30 20 BHED CC(CC1CC1)=NNc1cc(F)ccc1C 853393688 PHUAXBSAZYJDDO-UHFFFAOYSA-N 220.291 3.722 30 20 BHED CCC(=NNc1ccc(Cl)cn1)[C@H]1C[C@H]1C 853434086 AYDXIYNPZKGBDB-SCZZXKLOSA-N 237.734 3.569 30 20 BHED C=C[C@@H](CC)CC(=O)N1CC[C@H]1c1ccccc1 1332733952 FHVUCEWNOOVPTJ-ZFWWWQNUSA-N 243.350 3.562 30 20 BHED CCC/C(C)=C\C(=O)O[C@H](CC#N)c1ccco1 1345548719 WGHXMTGFKPZYSW-BSYHEUMXSA-N 247.294 3.524 30 20 BHED CC1(CNc2ccc(C#N)cn2)CCCCCC1 1612190093 RBIABBGJWXBOQH-UHFFFAOYSA-N 243.354 3.726 30 20 BHED C=C(Cl)CNC[C@H](C)CC1CCCCC1 1650312442 HCVGIVJKEHGNFP-LLVKDONJSA-N 229.795 3.935 30 20 BHED CN(CCC1(C#N)CCCCC1)C1CC(C)(C)C1 1653841986 SVLDBMCZHVXEKN-UHFFFAOYSA-N 248.414 3.971 30 20 BHED CC(C)C[C@@H](C)C[C@H](C)NCC(C)(C)CC#N 1659422052 DRJYWAOSHBCVJO-KGLIPLIRSA-N 238.419 3.977 30 20 BHED CC[C@H](C)CNc1ccc(C#N)c(Cl)c1 37393154 RWNASEJBGGYOEV-VIFPVBQESA-N 222.719 3.670 30 20 BHED C=C(Cl)CN[C@@H](C)c1ccccc1Cl 42224771 MYFVRWYKSKPALG-VIFPVBQESA-N 230.138 3.743 30 20 BHED C=C(CC)COc1ccc(Cl)cc1C(C)=O 85059182 NKSWQIYLXGLXDZ-UHFFFAOYSA-N 238.714 3.888 30 20 BHED C(#Cc1ccc2ncccc2c1)c1ccccc1 90751310 HQOYWWBUAARNLU-UHFFFAOYSA-N 229.282 3.635 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc(Cl)s1 157231367 YYAZLJWXMUIFMV-YUMQZZPRSA-N 215.749 3.627 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc(CCC)cc1 157244736 YRRXDCMRTOOPJX-QWHCGFSZSA-N 217.356 3.864 30 20 BHED C=CCCC[C@@H](C)NC(=O)C(C)(CC)CC 159446412 GDLBONAEWUHTAH-GFCCVEGCSA-N 225.376 3.674 30 20 BHED CC#CCN[C@H](C)c1cc2ccccc2s1 163662413 DBMUAMLOYGFGPZ-LLVKDONJSA-N 229.348 3.575 30 20 BHED C#CCCCNCc1cc2cc(C)c(C)cc2o1 174978793 RMTFOFWLDXGWMR-UHFFFAOYSA-N 241.334 3.553 30 20 BHED C=CCC[C@H](NCc1cc[nH]c1)c1ccccc1 178956778 JPKHMPBRCSJPRH-INIZCTEOSA-N 240.350 3.812 30 20 BHED C=CCC[C@@H](NCc1cc[nH]c1)c1ccccc1 178956790 JPKHMPBRCSJPRH-MRXNPFEDSA-N 240.350 3.812 30 20 BHED C=CCCN[C@H](C)c1nc(C(C)(C)C)cs1 184484739 HHLZWWOJTIPFEH-SNVBAGLBSA-N 238.400 3.667 30 20 BHED C[C@H](Sc1ccccn1)c1cccc(C#N)c1 189776073 RIGQLBVGAZWGNY-NSHDSACASA-N 240.331 3.807 30 20 BHED N#Cc1ccc(F)cc1CSC1CCCC1 229949463 BKLZDJRHSWSZCM-UHFFFAOYSA-N 235.327 3.873 30 20 BHED C=C(CC)COc1cc(Cl)cc(C#N)c1 309038088 HRXJZHIPHIQVOO-UHFFFAOYSA-N 221.687 3.557 30 20 BHED C[C@@H]1CC[C@H](Nc2cccc(CC#N)c2)C[C@H]1C 313483905 USYLFOIVSMTNEA-IOASZLSFSA-N 242.366 3.989 30 20 BHED C=C(CN[C@@H](C(C)C)C1CC1)c1ccccc1 324214115 DJXYPDSTLDOOQP-INIZCTEOSA-N 229.367 3.724 30 20 BHED C=CCCSCc1nccn1-c1ccccc1 339091882 NWHOUNKJMAJSFN-UHFFFAOYSA-N 244.363 3.682 30 20 BHED CC[C@H](C)CN(CC)Cc1ccc(CC#N)cc1 399092084 WXSVQZNBRIDFFU-AWEZNQCLSA-N 244.382 3.621 30 20 BHED C/C(=C\c1ccccc1)CN(C)[C@@H](C)CCC#N 411629210 BNLBDCJGQYGTEZ-ZQHYZAEZSA-N 242.366 3.714 30 20 BHED CC[C@@H](F)CSCc1ccc(C#N)c(C)c1 442547135 UKWIODWWKHNSNH-CYBMUJFWSA-N 237.343 3.848 30 20 BHED C=CCC1(C(=O)N(CCC)CC2CC2)CCCC1 449069379 GCRVLVYUALLLTO-UHFFFAOYSA-N 249.398 3.772 30 20 BHED CC(C)[C@@H](NCC1(C#N)CCC1)c1ccccc1 450241475 JDWJTFSZDDVASL-OAHLLOKOSA-N 242.366 3.667 30 20 BHED N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 471591779 ZYSGJLNPZVNSDK-DGXTUMSLSA-N 246.398 3.627 30 20 BHED C=C[C@H]1CCCCN1C(=O)C[C@@H](CC)C(C)C 488871026 PAACSVLTAFFMJR-KGLIPLIRSA-N 237.387 3.626 30 20 BHED C=CCC(C)(C)CNC(=O)[C@H](C)CCCC 489856857 HXWBFQPLVNNTKY-GFCCVEGCSA-N 225.376 3.531 30 20 BHED C=C(C)CCSc1nnc(-c2ccccc2)o1 505439077 UWCMKYBEDNWNIB-UHFFFAOYSA-N 246.335 3.795 30 20 BHED C=CCC(CC=C)C(=O)N1CC[C@@H](C)C(C)(C)C1 545428454 KYVIWLNKGFLQSH-CYBMUJFWSA-N 249.398 3.649 30 20 BHED C=CCCCC[C@@H](C)NCc1ccc(C#N)s1 563465357 LFWFZGGSLHRPLX-GFCCVEGCSA-N 248.395 3.844 30 20 BHED C[C@@H]1CCN(CCCCC#N)[C@H]2CCCC[C@H]21 609047505 RDXIOAJKKMDYHY-ILXRZTDVSA-N 234.387 3.581 30 20 BHED C=CCC[C@@H](C)N[C@H]1CCc2ccc(C)cc21 680473857 DUSZIBQIOXVGOW-CJNGLKHVSA-N 229.367 3.927 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cc(O)c(C)cc1C 682363675 RFOVUWPXNNXLEO-HNNXBMFYSA-N 247.338 3.550 30 20 BHED C=CCCCOC(=O)c1cccc(C(F)F)c1 735533834 LPEIWYDMYVMCGK-UHFFFAOYSA-N 240.249 3.747 30 20 BHED CC[C@@H](C)C(C)=NNc1ccc(F)cc1C 750939169 XEFBYMGRMQPPOY-SECBINFHSA-N 222.307 3.968 30 20 BHED C#CCC(C)(C)C(=O)O[C@@H](C)c1ccccc1C 767100116 MZQQHRQYHYUXCN-ZDUSSCGKSA-N 244.334 3.649 30 20 BHED C#CCCN(CC)C[C@H](CC)c1ccccc1 775893572 BJPOWVYPDICXSH-HNNXBMFYSA-N 229.367 3.525 30 20 BHED Cc1cccc(C=NOCCC(F)(F)F)c1C 777462442 BFPVXEGBOBYPLD-UHFFFAOYSA-N 245.244 3.606 30 20 BHED Cc1cc(C=NNC2CCCC2)ccc1Cl 779774102 RIICJWAVBNGJPY-UHFFFAOYSA-N 236.746 3.515 30 20 BHED C=CCCCCCOC(=O)[C@@H]1CCCCS1 784657917 CEECMHGEMPJAFX-LBPRGKRZSA-N 242.384 3.562 30 20 BHED CC[C@@H](C)CON=C[C@@H](C)c1ccccc1 793163234 HNZJDOIFQWOUDK-CHWSQXEVSA-N 219.328 3.839 30 20 BHED C[C@H]1/C(=C\c2cncs2)C(=O)c2ccccc21 809159910 ZDZNTGVUKYTGOC-UWZPUTRXSA-N 241.315 3.527 30 20 BHED C#C[C@H](C)N[C@H]1CCC[C@@H]1c1ccccc1Cl 809682779 BUQVHWFAWKYGFQ-LNSITVRQSA-N 247.769 3.587 30 20 BHED Cl/C=C\CON=CC1CCCCCC1 811669161 WVMMHOGTXXGXTN-VDJUHVHYSA-N 215.724 3.712 30 20 BHED Fc1ccc([C@H]2CCCC2=NOCC2CC2)cc1 814244303 MSJFEULPIBMVEJ-CQSZACIVSA-N 247.313 3.876 30 20 BHED C=C(C)C(C)(C)C(=O)OCC1(C#N)CCCCC1 820539700 RZMRNCAEOUXXHK-UHFFFAOYSA-N 249.354 3.606 30 20 BHED Cc1c(NN=CCC(C)(C)C)cccc1C(=O)O 844625313 YRLOXVGMOSXQHQ-UHFFFAOYSA-N 248.326 3.527 30 20 BHED N#CC1(C(=O)OCCCC2CCC2)CCCCC1 849712652 GAGWAYCUYCYHQY-UHFFFAOYSA-N 249.354 3.584 30 20 BHED CCCON=C[C@@H](C)c1ccc(C)cc1 863122919 AGJDTNXSUCGCCA-GFCCVEGCSA-N 205.301 3.511 30 20 BHED CC(=NNc1cccc(C)c1)c1scnc1C 915110384 UEJICMMEMMTVHK-UHFFFAOYSA-N 245.351 3.596 30 20 BHED CC(=NNc1cccc(F)c1)c1ccccc1 920384597 YPLYXNWOODYMJW-UHFFFAOYSA-N 228.270 3.662 30 20 BHED CC[C@@H](NCCC(C)(C)C#N)c1ccc(F)cc1 1192453128 XHZBKAOVZYROGK-CQSZACIVSA-N 248.345 3.806 30 20 BHED C=CC[C@H](C)[C@H](C)Nc1ccc(OCC#N)cc1 1320094419 LAFZYEPUSPBDAM-STQMWFEESA-N 244.338 3.602 30 20 BHED CC(C)C1CCC(CN2CCC[C@@H](C#N)C2)CC1 1659991871 BPRCBZWCIHQDLT-PCKAHOCUSA-N 248.414 3.684 30 20 BHED Cc1cccc(OCc2cccc(C#N)c2)c1C 19804853 SVUKOAPPUWABKW-UHFFFAOYSA-N 237.302 3.754 30 20 BHED N#Cc1ccccc1COc1cccc(Cl)c1 19804901 IXWWRMOKOAPKIN-UHFFFAOYSA-N 243.693 3.791 30 20 BHED C[C@@H]1CC[C@H](Nc2ccc(C#N)cc2)[C@H](C)C1 78466732 MLWBHSLQAKLDQD-JMSVASOKSA-N 228.339 3.795 30 20 BHED CC(C)[C@@H]1CCCCN1Cc1cc(C#N)cs1 93444167 BIJOIGHUZXCXNP-AWEZNQCLSA-N 248.395 3.630 30 20 BHED C=CCN(CC1CCCCC1)C(=O)C1CC=CC1 119860248 IMPXSPLSMGZENG-UHFFFAOYSA-N 247.382 3.548 30 20 BHED C=CCC(CC=C)C(=O)N1CCCC[C@H]1CC 120842431 ZAFUCTLHQBETSQ-CQSZACIVSA-N 235.371 3.546 30 20 BHED C=C[C@H](C)N[C@@H]1CCSc2ccc(F)cc21 122947286 XWVUFXWZLMZFOW-JOYOIKCWSA-N 237.343 3.527 30 20 BHED C=CC[C@H](C)N[C@@H]1CCc2cc(C)ccc21 129652588 XVJZLBGMDJHMIK-SWLSCSKDSA-N 215.340 3.537 30 20 BHED C=CC[C@@H](C)N[C@@H](CC)Cc1ccccc1 161638025 YDMFTTRVWXJKKM-HIFRSBDPSA-N 217.356 3.562 30 20 BHED C[C@@H]1CC[C@H](CN[C@H](C)c2cccc(C#N)c2)C1 230401927 IFLUJAIMVLJJJP-NFAWXSAZSA-N 242.366 3.645 30 20 BHED C[C@H](NCC(C)(C)CCC#N)[C@H]1C[C@H]2CC[C@H]1C2 253029510 QGWOCZPFLOBJFH-ZQDZILKHSA-N 248.414 3.731 30 20 BHED CC(C)CSCCCNc1ccc(C#N)cc1 301813303 CEMHTLKKYZZGEN-UHFFFAOYSA-N 248.395 3.749 30 20 BHED C=CCCC[C@H](C)Nc1noc(C(C)(C)C)n1 302143303 GFQGUGGEEPUMCQ-JTQLQIEISA-N 237.347 3.524 30 20 BHED C=CCCNc1ccc(C(F)F)cc1[N+](=O)[O-] 310257178 POOWDSBXVPUXCW-UHFFFAOYSA-N 242.225 3.520 30 20 BHED N#C[C@H]1CC[C@H](Nc2ccc3ccoc3c2)C1 336405663 YRHDINLJILJKFS-JQWIXIFHSA-N 226.279 3.537 30 20 BHED CCC(CC)Nc1nc(C)c(C#N)cc1Cl 336649170 GTLJJPAKZHUHLH-UHFFFAOYSA-N 237.734 3.516 30 20 BHED C=CCOCCSc1cccc2cccnc12 338536723 QHBOUVPPJRPFOM-UHFFFAOYSA-N 245.347 3.530 30 20 BHED C=CCC[C@@H](C)NCc1cc(C)cs1 382208593 VMDJFLWNGMIZRQ-LLVKDONJSA-N 209.358 3.501 30 20 BHED C=CC[C@H](CC)N[C@H](C)CCc1ccccc1 393810116 TUHLGBRWBUTDTL-ZBFHGGJFSA-N 231.383 3.952 30 20 BHED C[C@@H]1CCC[C@H](CN2CCC(CCC#N)CC2)C1 399296182 RHYUAGXAAQDQMN-ZBFHGGJFSA-N 248.414 3.828 30 20 BHED C=CCOCCCS[C@@H]1CC[C@H](C)C1 419475668 OJNLZHSCHRPZHJ-NWDGAFQWSA-N 214.374 3.501 30 20 BHED N#C[C@@H]1CC[C@H](NCCC2=CCCCCC2)C1 442842049 PLLBAHNYRYQXQW-CABCVRRESA-N 232.371 3.549 30 20 BHED CC(C)C[C@@H]1CCCCN1CC1(C#N)CCC1 450584528 ONMGZVREWWKTLD-AWEZNQCLSA-N 234.387 3.581 30 20 BHED C=C[C@@H]1CCCCN1C(=O)CC1(C)CCCCC1 488884802 YXXJLOLKWTYVMU-CQSZACIVSA-N 249.398 3.914 30 20 BHED C=C(C)CN(C)C/C(C)=C\c1ccccc1 497139957 BGIOIPHSCWFKDX-UVTDQMKNSA-N 215.340 3.598 30 20 BHED C=C(C)CN(CC)c1cccc(C)c1C 505928097 JDSRJSKTXWJGEM-UHFFFAOYSA-N 203.329 3.706 30 20 BHED C=CCCc1csc(-c2cccs2)n1 534879755 VIVNONYQRDJMSX-UHFFFAOYSA-N 221.350 3.990 30 20 BHED C=C(C)CN(CC)Cc1ccc(CC)s1 535062960 JSHRSSZMKSNFPA-UHFFFAOYSA-N 223.385 3.709 30 20 BHED C=CCCC[C@H](C)NC(=O)C1CCC2(CC1)CC2 613276525 ZWFMXEAKVHUHKM-ZDUSSCGKSA-N 249.398 3.818 30 20 BHED C=CCC1(NCc2occc2C)CCCC1 657702471 KHDKDAIROAMWBP-UHFFFAOYSA-N 219.328 3.567 30 20 BHED C=CCCN[C@H]1CCSc2ccc(F)cc21 658117565 XFDFPYCFBMDUAO-LBPRGKRZSA-N 237.343 3.528 30 20 BHED CCCCC(CC)=NNCc1ccc(OC)cc1 732925406 ZVHOYIQJXCNFQR-UHFFFAOYSA-N 248.370 3.741 30 20 BHED C=C(C)CN1CCC[C@@H]1c1ccc(F)c(F)c1 732987463 VPCIULWFUQATNE-CQSZACIVSA-N 237.293 3.678 30 20 BHED CCCCC(COC)=NNc1cccc(C)c1 737416766 UBJSBSOSLMDGQG-UHFFFAOYSA-N 234.343 3.600 30 20 BHED CC[C@H](C)C[C@@H](C)/N=C\c1cccc(OC)c1O 743043017 PKQWOANQEAXMJO-ADINIEGLSA-N 249.354 3.644 30 20 BHED C=CCCC(CC)=NNc1ccc(C(=O)O)cc1 750909371 GOBJUVBLQPYDBI-UHFFFAOYSA-N 246.310 3.529 30 20 BHED CCCCCCCCNC(=O)CCC1CC1 754855813 YCWZTTGZZOOPBY-UHFFFAOYSA-N 225.376 3.653 30 20 BHED C#CCCCNC1(Cc2ccccc2)CCCC1 755242760 IRXMVAHKXNFDCN-UHFFFAOYSA-N 241.378 3.545 30 20 BHED CCC(CC)NN=Cc1cccc(Cl)c1F 759666042 KWZCULOPQHWZJF-UHFFFAOYSA-N 242.725 3.591 30 20 BHED CC(=NNc1ccc(F)cc1)c1occc1C 767743987 VKZSGOXTTJASGC-UHFFFAOYSA-N 232.258 3.563 30 20 BHED C1CC(ON=C2CC[C@@H]3CCCC[C@@H]3C2)C1 812235418 GJURHGASBGPMDH-NWDGAFQWSA-N 221.344 3.902 30 20 BHED CC[C@H](C)CON=Cc1ccc(SC)s1 814939812 ZUKDKJHADGKFLH-VIFPVBQESA-N 243.397 3.867 30 20 BHED C=CCON=C[C@@H](C)c1cccc(Cl)c1 835013023 DRESLLOKJZNJAK-SNVBAGLBSA-N 223.703 3.632 30 20 BHED C=C[C@@H](C)ON=C[C@@]1(C)C[C@@H]1c1ccccc1 844619818 DGWRZWZRKFLJIK-BPLDGKMQSA-N 229.323 3.757 30 20 BHED C#CCOCCS[C@H](CC)c1ccccc1 853018753 RACZYLULGAAFHT-CQSZACIVSA-N 234.364 3.521 30 20 BHED C=C1CCC(C(=O)N2CC[C@H](CC(C)C)C2)CC1 889306579 FGVYPVWSNTUNRU-CQSZACIVSA-N 249.398 3.627 30 20 BHED C=C1CCC(C(=O)N2CCC[C@@H]2CC(C)C)CC1 896021847 HWEWTKCTVVACHG-OAHLLOKOSA-N 249.398 3.770 30 20 BHED CCCCCCCCCC(=O)NC[C@@H]1C[C@H]1C 915289924 KDXPYIUDVYXCEY-KGLIPLIRSA-N 239.403 3.899 30 20 BHED CCCCCCCC(=O)NC[C@@H]1CC=CCC1 921011768 HQJSUPCSOPNREF-CQSZACIVSA-N 237.387 3.819 30 20 BHED Cc1cnccc1CSc1cccc(C#N)c1 1165755356 OSJIAWBTPCTFJK-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=CCC(CC=C)c1nnc([C@@H](C)CC)o1 1341539778 YURDTCIBZNEARW-JTQLQIEISA-N 220.316 3.819 30 20 BHED CC[C@H]1CCN(CCC2(C#N)CCCCC2)[C@@H]1C 1459992812 UOMFTVHGNWJOQL-CABCVRRESA-N 248.414 3.971 30 20 BHED C#CCCCCN[C@H](CC)c1ccc(OC)cc1 90397769 GZAZEHHSZBHQJJ-MRXNPFEDSA-N 245.366 3.539 30 20 BHED C=CCCC(=O)N1CCCc2cc(Cl)ccc21 102227531 NECFGKCAEFEYIR-UHFFFAOYSA-N 249.741 3.585 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc(CC)s1 161672613 OMSWKVNXIUCUMD-MNOVXSKESA-N 223.385 3.926 30 20 BHED C=CCCC(=O)N1CCC[C@H](C)c2ccccc21 183156006 TUFQIDWBYKJNFE-ZDUSSCGKSA-N 243.350 3.883 30 20 BHED Cc1cccc(C(=O)/C=C\c2ccccc2)c1 200779824 VIPDWZPCYZHLAC-KHPPLWFESA-N 222.287 3.891 30 20 BHED C=CCCN[C@H](c1ccccc1C)C1CC1 309620047 DBCBWXBYRQKTQC-HNNXBMFYSA-N 215.340 3.612 30 20 BHED C=CCCSCc1nc(C2CC2)cs1 339089833 CJRLVPDBARVBLY-UHFFFAOYSA-N 225.382 3.830 30 20 BHED C=C(CC)CNc1ccc(SC)cc1OC 381512881 ROKJJZPJNMUWMC-UHFFFAOYSA-N 237.368 3.795 30 20 BHED CC(C)(C#N)CCOc1cc(Cl)ccc1F 410315188 HMFQCZMEZRTRAU-UHFFFAOYSA-N 241.693 3.798 30 20 BHED C=CCC[C@H](NC[C@@H]1CC12CC2)c1ccco1 417331109 BFEBGSBNNFCCOA-STQMWFEESA-N 231.339 3.677 30 20 BHED C=CCOCCSCCCc1ccsc1 419461953 LWBVAYBONNRULQ-UHFFFAOYSA-N 242.409 3.617 30 20 BHED CC(C)N(CC1(C#N)CC1)[C@H](C)c1ccsc1 421020037 YNDYHVOTGQUKLG-GFCCVEGCSA-N 248.395 3.823 30 20 BHED CC(C)[C@H]1CN(CCCCC#N)c2ccccc21 447395674 OGDFLDZAYDVJSO-OAHLLOKOSA-N 242.366 3.940 30 20 BHED C=CC[C@@H](CC)NC(=O)C1(CC=C)CCCCC1 451623495 KJEDZRYQAJUPBI-CQSZACIVSA-N 249.398 3.984 30 20 BHED C=C(CC)CNC(=O)C[C@H](CC)c1ccccc1 456828441 MCTPQCCCFSHWHQ-AWEZNQCLSA-N 245.366 3.653 30 20 BHED C=CCCC1(C(=O)NCC(C)(C)C(C)C)CC1 476932023 KNJHALMAJWANAE-UHFFFAOYSA-N 237.387 3.531 30 20 BHED C=C(CC)COc1ccc([C@@H]2CCOC2)cc1 479428798 SKHBTIWWFSGJDA-CQSZACIVSA-N 232.323 3.536 30 20 BHED C[C@@H]1CC(C)(C)CC[C@H]1Nc1cnccc1C#N 538741992 GJILIYCHBCBWDF-DGCLKSJQSA-N 243.354 3.580 30 20 BHED C=CCCCC[C@@H](C)N[C@H](C)C1CCOCC1 553103944 DXAIEUAULGJYPA-ZIAGYGMSSA-N 239.403 3.526 30 20 BHED C=CCCc1nc(C(C)(C)C2=CCCCC2)no1 568470562 HRNKPNBZVSSYLP-UHFFFAOYSA-N 246.354 3.966 30 20 BHED CC[C@H](C)n1cc(-c2ccc(C)cc2C#N)cn1 600775481 IUVPIGHNWPJWFB-LBPRGKRZSA-N 239.322 3.701 30 20 BHED CC[C@@H](C)n1cc(-c2cccc(F)c2C#N)cn1 600790459 KTPIYJXINDQVBX-SNVBAGLBSA-N 243.285 3.532 30 20 BHED CCN(Cc1ccccc1C)C[C@@H](C)CCC#N 602441856 YZPDOLYRIYKTKY-AWEZNQCLSA-N 244.382 3.757 30 20 BHED CC[C@H](CNC[C@H](C)CCC#N)c1ccccc1 602503640 NOLJWWYGUDYSBU-HUUCEWRRSA-N 244.382 3.710 30 20 BHED C=CCCN1CCCc2cc(Cl)ccc21 606895990 LWFLERWIANGZFM-UHFFFAOYSA-N 221.731 3.669 30 20 BHED C=C(C)CN(c1ccc(C)cc1)C(C)C 728927031 HAOKWALVIGTMEZ-UHFFFAOYSA-N 203.329 3.786 30 20 BHED CC(C)C1CCC(=NNC2CCCC2)CC1 729638823 HEPLSOQOLDWYAS-UHFFFAOYSA-N 222.376 3.721 30 20 BHED CC(=NNc1nc2ccccc2[nH]1)C1CCCC1 733077561 CJBGKJAILZPKTF-UHFFFAOYSA-N 242.326 3.541 30 20 BHED CC(=NNC1CCCC1)c1coc2ccccc12 747752151 XIPZEFIGNXCIQP-UHFFFAOYSA-N 242.322 3.689 30 20 BHED C#CCCc1noc(C[C@@H](C)CCCCCC)n1 762020877 CHDAGKLMCRFPNX-ZDUSSCGKSA-N 248.370 3.784 30 20 BHED C#CC[C@@H](N[C@H](C)C1CCCC1)c1ccccc1 773113284 CXOXUKPTZMYTAI-RHSMWYFYSA-N 241.378 3.919 30 20 BHED O=C1/C(=C/c2ccsc2)Oc2cc(F)ccc21 773172292 MFRFNZIOUYAJTN-XGICHPGQSA-N 246.262 3.503 30 20 BHED C[C@@H]1C(=NOC2CCCC2)CCC[C@H]1C 781124282 CSYHDNCLKJKMNJ-MNOVXSKESA-N 209.333 3.758 30 20 BHED C[C@@H]1CCCC[C@H]1C=Nn1cnc2ccccc21 783815867 JTZMTGJGGADSDH-OLZOCXBDSA-N 241.338 3.697 30 20 BHED C1CCCC(=NNC2CCCCC2)CC1 786043708 SWBQBACAUHWRSK-UHFFFAOYSA-N 208.349 3.619 30 20 BHED CC[C@@H](C)NN=C(C)c1ccc(Cl)s1 790182863 MSIGVGQWTUIKEF-SSDOTTSWSA-N 230.764 3.514 30 20 BHED CCC(=NNc1cccc(F)n1)c1cccs1 795010241 YVKZFXOCQNFURX-UHFFFAOYSA-N 249.314 3.508 30 20 BHED CC[C@H]1CCC1=NNCc1ccccc1Cl 807964916 BCTANUNLCIJVNO-JTQLQIEISA-N 236.746 3.606 30 20 BHED CO[C@H](C(C)=NOCCC1CC1)c1ccccc1 814246787 FATDKPIZOBCLOA-OAHLLOKOSA-N 247.338 3.567 30 20 BHED CCCC(=NNCC(CC)CC)c1ccccn1 814906207 KSSNOPZCRFBKMP-UHFFFAOYSA-N 247.386 3.612 30 20 BHED C[C@H](NN=C1CCCCCCC1)C(F)(F)F 834996163 HMFCZEHKRAKLNB-VIFPVBQESA-N 236.281 3.627 30 20 BHED CC(C(=O)O[C@@H]1CCC[C@H](C#N)C1)=C1CCCC1 839052423 GPDBFROHFARSKF-GXTWGEPZSA-N 247.338 3.502 30 20 BHED Cc1ccncc1-c1cccc(C2(C#N)CC2)c1 871888190 SOHHOXNPWHQRGK-UHFFFAOYSA-N 234.302 3.612 30 20 BHED C#CCCCCCCNC1CCC(F)(F)CC1 877125570 PJQFZKUAMSXQDM-UHFFFAOYSA-N 243.341 3.738 30 20 BHED CCCCCCCCCn1cnc([N+](=O)[O-])c1 915795321 FUCJIOHXHVYZJQ-UHFFFAOYSA-N 239.319 3.542 30 20 BHED C=C[C@H](CC)CC(=O)N1CC[C@@H]2CCCC[C@H]2C1 1334872945 OVTJVLPEPMNLMT-ILXRZTDVSA-N 249.398 3.627 30 20 BHED CCC[C@@H](CC)Nc1ccc(C#N)cc1F 50405603 JAHHHEBTTBSOCG-LLVKDONJSA-N 220.291 3.688 30 20 BHED C[C@@H](c1ccccc1Cl)N1CCC(C#N)CC1 57872755 PKELYFAHTULKPB-NSHDSACASA-N 248.757 3.637 30 20 BHED Cc1cc(Cl)ccc1OCC1(CC#N)CC1 88259782 DTNQGSYZEDJPAL-UHFFFAOYSA-N 235.714 3.721 30 20 BHED Cc1nsc(N[C@@H]2CC[C@H](C)[C@H](C)C2)c1C#N 92912579 QATKHBQVYFGDMV-IQJOONFLSA-N 249.383 3.560 30 20 BHED C=C(CN[C@@H]1CCC[C@@H](C)C1)c1ccccc1 97602923 WYGHWYUGNWQXEI-CZUORRHYSA-N 229.367 3.868 30 20 BHED C#CCCCCC(=O)N[C@H]1CCC[C@@H](C(C)C)C1 119807189 HJQKSUYXCPNTCA-CABCVRRESA-N 249.398 3.511 30 20 BHED Cc1ccc([C@@H](NCC(C)(C)C#N)C2CC2)cc1 122302823 PLPDLEUZKJQPGD-OAHLLOKOSA-N 242.366 3.586 30 20 BHED C=CCCC(=O)Nc1cc(C)ccc1Cl 124979378 PBTNQNFGJNRCRV-UHFFFAOYSA-N 223.703 3.553 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1 161679346 PNIAXSASGGKYCD-NXEZZACHSA-N 225.282 3.580 30 20 BHED C=CCN(CC1CCCCC1)C(=O)[C@H](C)C1CC1 178491203 NEOYVTPEVAWTHS-CYBMUJFWSA-N 249.398 3.627 30 20 BHED C[C@H]1CC[C@@H](NCCCCC#N)c2ccccc21 178647269 AHHADWXSXMVVQT-XJKSGUPXSA-N 242.366 3.908 30 20 BHED C=C(C)CN[C@H](C)c1c(F)cccc1Cl 181762585 AWBSCRPDFDOXFR-SECBINFHSA-N 227.710 3.706 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1cncc(F)c1 182182214 NUSHJGZBBXLHEU-NEPJUHHUSA-N 236.334 3.616 30 20 BHED N#Cc1ccc(/C=C\C(=O)c2ccccc2)s1 199159953 VYRFVCKYFBFJII-HJWRWDBZSA-N 239.299 3.516 30 20 BHED C[C@H]1C[C@@H](C)C[C@H](Nc2cccc(F)c2C#N)C1 252214780 YYKBRTAGAGPMCV-GDNZZTSVSA-N 246.329 3.934 30 20 BHED C=CCCC(=O)Nc1ccc(OCCC)cc1C 263995476 POHLMYCUVTXCNX-UHFFFAOYSA-N 247.338 3.689 30 20 BHED Fc1ccc(CON=C2CCC2)cc1Cl 276087386 PNPGUQVCXFJOSP-UHFFFAOYSA-N 227.666 3.536 30 20 BHED C[C@@H](CCC#N)N(C)Cc1ccc(Cl)s1 297962804 UQPJUKJMURBCMJ-VIFPVBQESA-N 242.775 3.526 30 20 BHED Cc1cc(C#N)cc(N[C@H](C)C2CCCC2)c1 308104121 KUCULRUCJAPFAI-GFCCVEGCSA-N 228.339 3.857 30 20 BHED C#CCCCCN[C@H](CC)[C@H](C)CCC 309098106 FPNRNEXSNSTGKR-ZIAGYGMSSA-N 209.377 3.594 30 20 BHED C[C@@H](C1CCC1)N(C)CCCCC(C)(C)C#N 325818874 LVKYIBMNHZRBJD-ZDUSSCGKSA-N 236.403 3.827 30 20 BHED CC1=C(/C(O)=N/[C@@H](C)c2ncc(C)o2)CCC1 329261823 ZFVSOUJWBTVGJH-JTQLQIEISA-N 234.299 3.501 30 20 BHED CC(C)C[C@@H](C)C[C@@H](C)NCCCCC#N 336697361 ZARCBPGLRXENIB-ZIAGYGMSSA-N 224.392 3.731 30 20 BHED C=C1CCN(Cc2cccc(F)c2Cl)CC1 338983530 ZJUJLUDJNUWDHJ-UHFFFAOYSA-N 239.721 3.631 30 20 BHED C=C(C)C(C)(C)c1nc(-c2ccccc2C)no1 424225178 UPGIIUBQYZHHDE-UHFFFAOYSA-N 242.322 3.899 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 424688235 NTUDXZPHLPZCKT-KGLIPLIRSA-N 249.398 3.674 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cc2ccc(C)cc2o1 426060822 SDOTWKBJNGWNIS-NEPJUHHUSA-N 229.323 3.966 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cc(C)cc(C)c1 467365492 JTGYSRKZBYLSIC-HNNXBMFYSA-N 231.339 3.844 30 20 BHED C=CC[C@@H](CC)NC[C@@H](C)c1ccc(F)cc1 467524387 YHROTNQMGMKZQS-IUODEOHRSA-N 235.346 3.874 30 20 BHED C=CCCCC(=O)N1CCC[C@@H](C(C)(C)C)C1 478442662 BTDUNZWXVOYJCN-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1 488833321 UCGCLEFAHZNLHL-ZDUSSCGKSA-N 249.741 3.521 30 20 BHED C=CCC(C)(C)CNC(=O)C[C@@H](CC)C(C)C 490068551 SLRPDLWDKYAWFB-CYBMUJFWSA-N 239.403 3.777 30 20 BHED C=CCCCN1CCC[C@H]1Cc1ccccc1 522776212 QQKSPWBTNZBPDF-INIZCTEOSA-N 229.367 3.660 30 20 BHED C=CCC(C)(C)C(=O)NCC(C)(C)C(C)(C)C 562069190 FVQKXFMOGZECGN-UHFFFAOYSA-N 239.403 3.777 30 20 BHED C[C@@H](C1CC1)N(C)CCC1(C#N)CCCCC1 563203214 XHZSZMIRTUWOHJ-ZDUSSCGKSA-N 234.387 3.581 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H]1[C@@H]2c3ccccc3C[C@H]21 566036310 BDLQIPXBPJPRTM-SPCAWNFKSA-N 241.378 3.515 30 20 BHED CC(C)(CCC#N)CNCC[C@@H]1C[C@H]2C=C[C@H]1C2 594511074 PIQQWLDSFNPNNA-SOUVJXGZSA-N 246.398 3.508 30 20 BHED C=CCCCN1C[C@H](c2ccccc2)C[C@@H]1C 605150979 OPHSOIDGKKVBOM-GOEBONIOSA-N 229.367 3.831 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C[C@@H]2CC[C@@H](C)C2)C1 617783260 WVTINCRCFKEURK-RBSFLKMASA-N 249.398 3.627 30 20 BHED C=CCC1(NCc2cccc(OC)c2)CCCC1 657703144 UWMGWRHWPHPZCC-UHFFFAOYSA-N 245.366 3.674 30 20 BHED C=CCC[C@@H](CC)N[C@H]1CCc2ccc(O)cc21 658238843 LBALUXWGUXYLCE-CJNGLKHVSA-N 245.366 3.714 30 20 BHED C=C(C)CSc1nccn1Cc1ccccc1 685375833 SNQYFGPMWKYYEA-UHFFFAOYSA-N 244.363 3.600 30 20 BHED COc1cccc(NN=C(C)c2cccs2)c1 725853574 NVAMVVHOEBNATJ-UHFFFAOYSA-N 246.335 3.593 30 20 BHED CC#CCCCC(=O)O[C@H](C)c1ccc(F)cc1 767672366 RLFROSAAPJGRAT-GFCCVEGCSA-N 248.297 3.624 30 20 BHED CCCc1cccc(C=NNC2CCCC2)c1 774384248 ADNNQGYUYQAAGS-UHFFFAOYSA-N 230.355 3.505 30 20 BHED CC1=CCC[C@@H](C)[C@H]1C=NOC1CCCC1 774597267 STUWDOLGLBXBIW-OCCSQVGLSA-N 221.344 3.924 30 20 BHED CCCC(CC)=NNc1ccc(F)cc1F 776176973 GPIIGBNVOVPYNF-UHFFFAOYSA-N 226.270 3.943 30 20 BHED CC(CCCC(C)C)=NNc1ccnc(F)c1 781129224 DYJCTPZUIXZRKZ-UHFFFAOYSA-N 237.322 3.835 30 20 BHED CCCCNN=C(CCC(C)C)C1CC1 802709371 CCFIUPAODZUSEX-UHFFFAOYSA-N 210.365 3.578 30 20 BHED C#CCC(C)(C)c1nc([C@@H](C)C(C)(C)C)no1 809414071 RSAIBWRFOLZACL-SNVBAGLBSA-N 234.343 3.520 30 20 BHED C=CCNN=C(CC)C12CC3CC(CC(C3)C1)C2 811649882 AOGQOLFOZJRNLU-UHFFFAOYSA-N 246.398 3.744 30 20 BHED Fc1cc(C=NOC/C=C/Cl)ccc1Cl 811671023 LSKKZSZADKNPDS-UOZKWQDASA-N 248.084 3.582 30 20 BHED CC[C@H](C)CC=NNc1cc(F)cc(OC)c1 834961593 ONFMHIMCBZXYLY-JTQLQIEISA-N 238.306 3.668 30 20 BHED C=CCC1(C(=O)OC[C@H](C)CC(F)F)CCC1 842444236 QTIQURJJSFOEAH-SNVBAGLBSA-N 246.297 3.567 30 20 BHED C[C@@H]1C[C@H](NCC2(C#N)CCC2)c2ccccc21 903035439 PHIIXIYYKVBETD-DOMZBBRYSA-N 240.350 3.518 30 20 BHED CC(=NNc1ccccn1)c1ccc(Cl)cc1 916276374 ZBAKJIMHEDDETH-UHFFFAOYSA-N 245.713 3.571 30 20 BHED C=C1CCC(C(=O)OCC(C)(C)CCC#N)CC1 1348280441 IKCMYOFGOGYXGR-UHFFFAOYSA-N 249.354 3.606 30 20 BHED C[C@H]1CCCC[C@@H]1CSc1cc(C#N)ccn1 1458913374 NRARURCMSNSMQK-WCQYABFASA-N 246.379 3.872 30 20 BHED CC(C)[C@H]1CCCCCN1CC1(CC#N)CC1 1653049036 LPICDRKHXNLNEP-CQSZACIVSA-N 234.387 3.581 30 20 BHED C=CCN(C)[C@@H](CC)c1ccc(F)cc1F 121384352 UMBXZTWPINAURE-ZDUSSCGKSA-N 225.282 3.534 30 20 BHED C=C[C@H](C)NCc1ccc(OCCCC)cc1 123188841 GQVUYSLUEZZQQD-ZDUSSCGKSA-N 233.355 3.530 30 20 BHED C#CCCCNc1ccc(C)c(C(F)(F)F)c1 169040968 QCMFLEMZDAPRNJ-UHFFFAOYSA-N 241.256 3.839 30 20 BHED C=CCCCC(=O)N(Cc1ccccc1)C1CC1 175211952 FNGPTWVJSVWOSA-UHFFFAOYSA-N 243.350 3.534 30 20 BHED N#C[C@H]1CCC[C@@H](NCc2cccc(Cl)c2)C1 185759163 SONUTDRIZHXVRA-SMDDNHRTSA-N 248.757 3.512 30 20 BHED C[C@@H](SCCCC#N)c1cccc(F)c1 190919242 GAKIAQJUTFRRBU-SNVBAGLBSA-N 223.316 3.924 30 20 BHED C=C[C@@](C)(CC)c1nc(-c2ccsc2)no1 191159963 ZWEPBKJCQPYCIZ-LBPRGKRZSA-N 234.324 3.652 30 20 BHED C[C@@H](SCCCC#N)c1ccc(F)cc1 194418715 NKMXGSJIFWXHGF-SNVBAGLBSA-N 223.316 3.924 30 20 BHED CCc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1 278904739 JCELNIJWHZVBSL-QWHCGFSZSA-N 230.355 3.592 30 20 BHED C=CC[C@@H](CC)NC(=O)Nc1cscc1C 281297036 CVINWVBBWLKKGT-SNVBAGLBSA-N 238.356 3.533 30 20 BHED C[C@H](CCC#N)N(C)Cc1ccc(Cl)s1 297962803 UQPJUKJMURBCMJ-SECBINFHSA-N 242.775 3.526 30 20 BHED C=CCCCCNCc1cnc(C(C)C)s1 309361424 OTLPDXRNMBDOBQ-UHFFFAOYSA-N 238.400 3.712 30 20 BHED C#CCCN[C@@H](c1cccs1)C(CC)CC 310012798 JGZAKJUGQWQKOX-CQSZACIVSA-N 235.396 3.838 30 20 BHED C[C@@H]1CC(C)(C)C[C@@H]1Nc1cccc(CC#N)c1 313484343 VGZOQHOESOVZAA-DOMZBBRYSA-N 242.366 3.989 30 20 BHED C=C(C)C[C@H](C)C(=O)Nc1ncccc1C(C)C 344141340 XHUYHQLEEGJXQI-LBPRGKRZSA-N 246.354 3.746 30 20 BHED C[C@@H](CC1CC1)N[C@@H](C)c1ccc(C#N)c(F)c1 346166164 FDABRBXMXCOFAL-QWRGUYRKSA-N 246.329 3.537 30 20 BHED C=CCCC1(C(=O)N2CCC[C@H]3CCC[C@@H]32)CC1 361730837 CSSNBRLVHXNXKJ-KGLIPLIRSA-N 247.382 3.524 30 20 BHED C=CCCCCCCNCCC1CCOCC1 384157954 RXBBYGNDKQFFNG-UHFFFAOYSA-N 239.403 3.529 30 20 BHED CC(C)(CNCc1cc(C#N)cs1)C1CCC1 385058623 SWUIREDYGATGOQ-UHFFFAOYSA-N 248.395 3.536 30 20 BHED C=CC[C@H](CC)NCc1ccc(OCCC)cc1 393798700 LEBRVLFZRODMEW-HNNXBMFYSA-N 247.382 3.920 30 20 BHED C=CCCCCN[C@@H](C)CCCc1cccnc1 453200413 RCKXJXUINUSQAB-HNNXBMFYSA-N 246.398 3.739 30 20 BHED C[C@@H](c1ccccc1)N(CC#N)c1ccccc1 468504243 IQRPWTDUIAPJLW-AWEZNQCLSA-N 236.318 3.778 30 20 BHED C=C(CC)COc1ccc2[nH]c(C)cc2c1F 471896530 DUOFKYVQGFADHE-UHFFFAOYSA-N 233.286 3.960 30 20 BHED C=C[C@H]1CCCCN1c1ccnc2ccccc12 486479439 CXGCTJFQAVURRK-ZDUSSCGKSA-N 238.334 3.780 30 20 BHED C=CCC(C)(C)CNC(=O)C[C@H](C)CCC 489861206 UJVQSVPVFOJPAY-GFCCVEGCSA-N 225.376 3.531 30 20 BHED C=CCSCCCOc1c(C)cccc1C 522283415 GJGIAJZTJIOLTF-UHFFFAOYSA-N 236.380 3.992 30 20 BHED C=CCCCN1CCc2cccc(F)c2[C@H]1C 523451113 RRSITGXDZIZIGR-GFCCVEGCSA-N 233.330 3.711 30 20 BHED CCC(C)(C)[C@H]1CCCN1CCC(C)(C)C#N 537362184 CVCAKPQLRKMFLQ-CYBMUJFWSA-N 236.403 3.827 30 20 BHED CC#CCCNC(=O)[C@@H](CCC)CC1CCCC1 542672317 LEOUIKWETNKXKV-HNNXBMFYSA-N 249.398 3.513 30 20 BHED C=CCSCc1ccc2ncccc2c1 546020250 WLOOZVCRGGDNNT-UHFFFAOYSA-N 215.321 3.654 30 20 BHED C=CCOCCS[C@@H](C)c1ccc(F)cc1 558832161 ZTFNCZWZBZSCQG-NSHDSACASA-N 240.343 3.823 30 20 BHED C=CCC(C)(C)C(=O)N1CCC[C@@H](CCC)C1 560270507 YYUJNYOXSAYQDM-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C[C@@H](F)CCSc1cccc(F)c1C#N 576768117 NNBBQEPDMCOJGU-MRVPVSSYSA-N 227.279 3.538 30 20 BHED Cc1cc(SCC(=O)C(C)(C)C)ccc1C#N 577396308 VRSPBQUACLMYKE-UHFFFAOYSA-N 247.363 3.574 30 20 BHED C=CCCCCOc1ccsc1C(C)=O 584332372 SBVOAAOMEXGRKC-UHFFFAOYSA-N 224.325 3.686 30 20 BHED C=CCCSCCN[C@@H](C)c1ccccc1 594711398 MSDMPDJDFVBVRP-ZDUSSCGKSA-N 235.396 3.647 30 20 BHED FC(F)Oc1ccc(NN=C2CCCC2)cc1 726430297 XNIFTCKKAMQXRX-UHFFFAOYSA-N 240.253 3.630 30 20 BHED CC(C)=CCCC(C)=NOCc1cccnc1 746587722 DZLCYGQKGIYQBH-UHFFFAOYSA-N 232.327 3.721 30 20 BHED Cc1cccc(F)c1NN=Cc1cccs1 769840737 NEAXXPKSDFINJW-UHFFFAOYSA-N 234.299 3.642 30 20 BHED C#CCCCCC(=O)Oc1c(C)ccc(C)c1C 775611603 XFTZVZOJZHSSCG-UHFFFAOYSA-N 244.334 3.711 30 20 BHED CCCC(CC)=NNc1cccc(OC)c1 776185124 FTLVDJOSMQVBGH-UHFFFAOYSA-N 220.316 3.673 30 20 BHED CC(=NOCCC(F)(F)F)c1ccc(F)cc1 777455221 ANLXMLLINPHLJS-UHFFFAOYSA-N 249.207 3.519 30 20 BHED CC1(C)CCCC(=NNc2ncccc2F)C1 794981041 SABWMZUEFVSFGG-UHFFFAOYSA-N 235.306 3.589 30 20 BHED CC(=NNc1ccccc1F)c1cc(C)c(C)o1 799874703 WWZLZWMYJTVNJX-UHFFFAOYSA-N 246.285 3.872 30 20 BHED CSC(C)(C)CC=NOC1CCCCC1 814910040 PEDBFYLPGVKGMT-UHFFFAOYSA-N 229.389 3.853 30 20 BHED CCC(C=NNc1ccc(F)c(F)c1F)CC 814945656 KBZQJXKUYBVVIW-UHFFFAOYSA-N 244.260 3.938 30 20 BHED CC1(C)CCC[C@H](OC(=O)C2(C#N)CCCC2)C1 836164796 MRVODQAJFVIMMX-LBPRGKRZSA-N 249.354 3.582 30 20 BHED C=C(Cl)CNc1ccc(SC)cc1OC 849315990 OFNKGVGQKRMECS-UHFFFAOYSA-N 243.759 3.582 30 20 BHED C=CCCCC(=O)Nc1ccccc1NC(C)C 855862283 RVSRXFWLEHUNJG-UHFFFAOYSA-N 246.354 3.802 30 20 BHED CCCCCCCNC(=O)c1c[nH]cc1C1CC1 880824532 WVIYZQCDBFQDCS-UHFFFAOYSA-N 248.370 3.592 30 20 BHED C[C@H](C=NOC(C)(C)C)c1ccc(F)cc1 1319582277 DGVCSIFZGZNRJF-SNVBAGLBSA-N 223.291 3.730 30 20 BHED CC(CCc1cccc(F)c1)=NOC(C)(C)C 1319584594 ZJHALRBZWDPBNP-UHFFFAOYSA-N 237.318 3.949 30 20 BHED CCc1cccc(NCc2ccc(C#N)cc2)c1 19962198 WGZCLQDUPNTIMM-UHFFFAOYSA-N 236.318 3.733 30 20 BHED C[C@@H](NCCC(C)(C)C)c1ccc(C#N)cc1 37749446 OSORZMSCUBMXGF-GFCCVEGCSA-N 230.355 3.645 30 20 BHED CC(C)c1nc(-c2ccc(C#N)cc2)cs1 58114920 BJEATHZBBRVHPO-UHFFFAOYSA-N 228.320 3.805 30 20 BHED C[C@H]1CCC[C@H]1Nc1ccc(Cl)cc1C#N 70832729 MDXKKNBVYSZQRK-JOYOIKCWSA-N 234.730 3.812 30 20 BHED CCN(Cc1cc(C)c(C)cc1C)C[C@@H](C)C#N 91982201 AYPODGSBIPVUFH-LBPRGKRZSA-N 244.382 3.593 30 20 BHED C#CCCCCN[C@H]1CCC[C@H](C(F)(F)F)C1 130190752 ARRJFDJQCQTPJM-RYUDHWBXSA-N 247.304 3.501 30 20 BHED C=C(Cl)CN[C@H](C)Cc1ccc(Cl)cc1 131969014 BGIXRDQAOLPERQ-SNVBAGLBSA-N 244.165 3.613 30 20 BHED C=C(Cl)CN[C@@H](CCC)c1ccccc1 135835989 WISNEUTWVVZNDT-ZDUSSCGKSA-N 223.747 3.870 30 20 BHED C#CCCCCNCc1csc2ccccc12 150730452 RHJMFWXYMMAHAJ-UHFFFAOYSA-N 243.375 3.794 30 20 BHED C=CCC(CC=C)C(=O)N1CCC[C@@](C)(CC)C1 151014929 MFRPTHXULLMUIG-MRXNPFEDSA-N 249.398 3.794 30 20 BHED CC1CCC(C)(NCc2ccc(C#N)s2)CC1 176967316 NOZSXLCYNFXSRZ-UHFFFAOYSA-N 248.395 3.678 30 20 BHED C=CCCCC(=O)N(C1CCC(C)CC1)C1CC1 177774992 LXXODPWQTFVBTE-UHFFFAOYSA-N 249.398 3.912 30 20 BHED C=CCC1(C(=O)N[C@@H](C)c2ccccc2)CCC1 190210568 UUVREUKYABIRFG-ZDUSSCGKSA-N 243.350 3.610 30 20 BHED Cc1nsc(N[C@@H]2CCC[C@@H](C)[C@H]2C)c1C#N 227560186 NYXYRASCNHZDQX-KBVBSXBZSA-N 249.383 3.560 30 20 BHED C[C@H]1CC[C@@H](c2ccccc2)N(CCCC#N)C1 285713453 WOXGSPIAYZBYKB-HOCLYGCPSA-N 242.366 3.763 30 20 BHED C=CCCNc1cccc2ccsc12 306440921 OEWMQNPEKKKWKV-UHFFFAOYSA-N 203.310 3.889 30 20 BHED C=C(C)CCN[C@H]1CCCC[C@@H]1SCC 309055737 UIYANOONCTZBSX-STQMWFEESA-N 227.417 3.607 30 20 BHED CC[C@H](C)N(Cc1ccccc1)CC1(C#N)CC1 343246944 IZCJJLRQBODEPR-AWEZNQCLSA-N 242.366 3.591 30 20 BHED Cc1c(Cl)cnc(N[C@H](C)CC2CC2)c1C#N 343477440 OLQPCHZWPRIFNO-MRVPVSSYSA-N 249.745 3.516 30 20 BHED CC(C)(C)CC(=O)CSc1ccc(C#N)cc1 343830872 LIMMOKAAKMJVHE-UHFFFAOYSA-N 247.363 3.656 30 20 BHED C[C@H]1CCC[C@H](C)C1NCC(C)(C)CCC#N 348206487 LUGHBDQEODZPAE-STQMWFEESA-N 236.403 3.731 30 20 BHED C[C@@H](NCC1=CCCCC1)c1cccc(C#N)c1 379577712 CPXBADYDAPVPDR-CYBMUJFWSA-N 240.350 3.709 30 20 BHED C=CCC[C@@H](NCC1CCCC1)C1CC1 380268866 VHASPAVQIFGABT-CQSZACIVSA-N 207.361 3.511 30 20 BHED C=CCCCCC[C@@H](C)N[C@@H](CC)CC#N 381370520 ICZGVMUROVIMRF-KGLIPLIRSA-N 222.376 3.793 30 20 BHED CCCN(Cc1cccc(C#N)c1F)CC(C)C 386433786 ATAAPQWJYUQBNH-UHFFFAOYSA-N 248.345 3.565 30 20 BHED C=CC[C@@H](CC)NC(=O)[C@@H](CCC)C(C)C 410125222 XHIYJJXGZCNGJK-OLZOCXBDSA-N 225.376 3.530 30 20 BHED C[C@H]1CC[C@@H](C)N1CC#Cc1cccc(Cl)c1 438529974 FHQDJHWBFVKKCG-BETUJISGSA-N 247.769 3.564 30 20 BHED Cc1cccc(CN2CCCC(C)(C)[C@@H]2C#N)c1 444724984 LZHUWIMUVGCEFM-HNNXBMFYSA-N 242.366 3.509 30 20 BHED C[C@H]1CCC(C)(C)N1CCCCC(C)(C)C#N 452000565 BWPZVRJRVADQEL-ZDUSSCGKSA-N 236.403 3.969 30 20 BHED C=CCCCCNC(=O)C[C@H]1CCC[C@@H](C)C1 471700032 GMCGMLLXJFOFLP-KGLIPLIRSA-N 237.387 3.675 30 20 BHED C=C[C@@H]1CCCCN1C(=O)C[C@H](C)CC(C)C 488879773 SCIVRNHFHPOKRZ-ZIAGYGMSSA-N 237.387 3.626 30 20 BHED CCCCc1ccc([C@H](C)NCCCC#N)cc1 542499074 NVBYSIBEHRGXDG-AWEZNQCLSA-N 244.382 3.984 30 20 BHED C=CCC(C)(C)C(=O)N1CCC2(CCCC2)CC1 559935924 UPIFADYESJRCBV-UHFFFAOYSA-N 249.398 3.772 30 20 BHED CC(C)(CC#N)CSc1ccc(F)cc1 580844997 SQEUZHCQSYWLBF-UHFFFAOYSA-N 223.316 3.858 30 20 BHED C=CCC(C)(C)C(=O)NC[C@@H]1CCCC1(C)C 581093102 CWTGGGJKXXLNQQ-LBPRGKRZSA-N 237.387 3.531 30 20 BHED C=CCN(C(=O)C(CC)CC)c1ccccc1 583231693 NGYFQHNGUVLSBF-UHFFFAOYSA-N 231.339 3.642 30 20 BHED Cc1cccc([C@H](C)CNC[C@H](C)CCC#N)c1 602554163 GIILBYNHRBWNIQ-HUUCEWRRSA-N 244.382 3.628 30 20 BHED C=CC[C@@H](CC)NC1CCC(F)(F)CC1 647302682 MDIDKKKVLOYVQV-SNVBAGLBSA-N 217.303 3.509 30 20 BHED C=CCC(C)(C)c1noc(/C=C\CCC)n1 664892346 YCQXNCKUPASUIS-HJWRWDBZSA-N 220.316 3.737 30 20 BHED C=C[C@](C)(CC)c1nc(C2CCCCC2)no1 682374971 KABZSFJULUVFOJ-CQSZACIVSA-N 234.343 3.971 30 20 BHED CCC[C@H](C)C(CC)=NOCc1cccnc1 746585910 OYARBFCSAMXSIW-LBPRGKRZSA-N 234.343 3.800 30 20 BHED C#CCCN(C1CC1)[C@H](C)c1ccc(Cl)cc1 760852607 TWNBCBVRNPTJLR-GFCCVEGCSA-N 247.769 3.889 30 20 BHED C=CCN(Cc1ccc(C)c(F)c1)C(C)C 768550298 JYDYXYKNWHACME-UHFFFAOYSA-N 221.319 3.531 30 20 BHED CC1(C)CCCC[C@@H]1NN=Cc1cccs1 773124434 GENPJOGHBFPMAJ-LBPRGKRZSA-N 236.384 3.640 30 20 BHED CCCCCCCN1CCC(C)(COC)CC1 773727615 RQXRIGLUYMFJKF-UHFFFAOYSA-N 241.419 3.705 30 20 BHED CC(C)(C#N)CCNC(C)(C)c1ccc(F)cc1 776593230 RTVIDQULJLMBAN-UHFFFAOYSA-N 248.345 3.590 30 20 BHED CC1CCC(=NN[C@@H]2CCCC2(C)C)CC1 782302833 USAAJLFDACZRPD-GLGOKHISSA-N 222.376 3.721 30 20 BHED CC[C@@H](C)NN=C1CC[C@](C)(c2ccccc2)C1 790191735 WQAVWDRPHOESKC-CJNGLKHVSA-N 244.382 3.872 30 20 BHED Cc1cnc(CSCCC(C)(C)C#N)s1 790558444 FNJVRUDRJFYNKR-UHFFFAOYSA-N 240.397 3.625 30 20 BHED C=C(C)CCOC(=O)c1scc(C)c1Cl 791819447 YAGOPTAGBUSZDU-UHFFFAOYSA-N 244.743 3.833 30 20 BHED Cc1cccc(C)c1C=NN[C@@H](C)C(C)(C)C 793113627 BHERWJKLFHWBBJ-ZDUSSCGKSA-N 232.371 3.662 30 20 BHED CC(C)C[C@H](C)C=NNc1ncccc1Cl 799109005 RLFLKVHDLFIFFN-JTQLQIEISA-N 239.750 3.815 30 20 BHED CCC(C=NOCc1cccnc1)(CC)CC 814884220 RVFOTSLENWJFGK-UHFFFAOYSA-N 234.343 3.800 30 20 BHED CC(=NOCc1ccccc1)c1ccccc1 832666108 MIDMIXGYBIKXMO-UHFFFAOYSA-N 225.291 3.627 30 20 BHED CCC(=NNc1ccc(C#N)cc1)C1CCCC1 834942285 YDESLQVRHAAEFK-UHFFFAOYSA-N 241.338 3.926 30 20 BHED CC[C@@H](C)C(C)=NOCc1ccccc1 839418154 GZQDHCOBUMDUDZ-LLVKDONJSA-N 205.301 3.625 30 20 BHED CC(=NOCC1CC1)[C@@H]1C[C@H]1c1cccs1 841641215 SDLABXUWJYZVAV-NWDGAFQWSA-N 235.352 3.654 30 20 BHED C=C[C@@H](C)ON=C(C)CCc1ccccc1 844622613 HMIWPEYRSFAENR-CYBMUJFWSA-N 217.312 3.586 30 20 BHED CC(C(=O)O[C@@H](C)CC(C)(C)C#N)=C1CCCC1 851208080 NPSWLAXDFZZRNC-NSHDSACASA-N 249.354 3.748 30 20 BHED c1ccc(NN=C2CCC(=C3CCC3)CC2)nc1 853268485 FPKMHISZTLRIHE-UHFFFAOYSA-N 241.338 3.904 30 20 BHED FC(F)(F)[C@@H]1CCCC(=NOCC2CCC2)C1 853440760 HQHGVQYICBWZAB-SNVBAGLBSA-N 249.276 3.912 30 20 BHED C=C(C)C(C)(C)c1nnc(-c2ccccc2)o1 1118421191 WKOKLOSZDWNQTG-UHFFFAOYSA-N 228.295 3.590 30 20 BHED CC(C)C[C@@H](C)CSc1cccnc1C#N 1189337729 JCFREJDPGVFPBF-LLVKDONJSA-N 234.368 3.728 30 20 BHED CC[C@@H]1CCCC[C@H]1Nc1cc(C)c(C#N)cn1 1611783248 IULHGIVQINZAFT-TZMCWYRMSA-N 243.354 3.642 30 20 BHED N#Cc1c(Cl)cccc1NCCC(F)(F)F 63100539 LDILAYXCQODQAW-UHFFFAOYSA-N 248.635 3.576 30 20 BHED CC(C)(C#N)CCSc1cccs1 83640624 ZAPNKDANRFJARE-UHFFFAOYSA-N 211.355 3.780 30 20 BHED CCc1ccccc1NCc1cc(C#N)cs1 93685177 KJMQMOBCIFYVHQ-UHFFFAOYSA-N 242.347 3.794 30 20 BHED CCCCCCCOc1ccc2c(c1)OCC2=O 106781003 GBMRVISVFXHWLG-UHFFFAOYSA-N 248.322 3.611 30 20 BHED C[C@H]1CCCC[C@@H]1Nc1ccc(Cl)c(C#N)n1 110079290 DUHUJIGLSGJFAM-ONGXEEELSA-N 249.745 3.597 30 20 BHED CC[C@@H](C#N)N[C@H](CCC(C)C)C(C)(C)C 122238970 WSJCSBJEXWMIBU-QWHCGFSZSA-N 224.392 3.729 30 20 BHED Cc1cccc(C)c1CNCC(C)(C)CCC#N 132139886 NLVGAEDKHYRYQP-UHFFFAOYSA-N 244.382 3.723 30 20 BHED CC[C@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1C 165503303 USLORBIIQGAPJT-CJNGLKHVSA-N 242.366 3.630 30 20 BHED CSc1ccc([C@@H](C)NCCCCC#N)cc1 173382631 XVALSPGSKKXLEA-GFCCVEGCSA-N 248.395 3.753 30 20 BHED C[C@H]1CCC[C@@H](N(C)Cc2cc(C#N)cs2)C1 180045461 QLNCTUVLUHYLPQ-WCQYABFASA-N 248.395 3.630 30 20 BHED CC#CCCCC(=O)N(C)CCC1CCCCC1 185399508 HWKSMMZWTWYNMX-UHFFFAOYSA-N 249.398 3.609 30 20 BHED C=CCC1(C(=O)OCc2ccsc2)CCC1 192238671 PWTSHMGULSZAEL-UHFFFAOYSA-N 236.336 3.538 30 20 BHED C=CCCCCCSCc1ccon1 192540019 QCYSJCAWUPAZQN-UHFFFAOYSA-N 211.330 3.654 30 20 BHED CC(C)(C#N)CCN1CCC[C@H]2CCCC[C@H]21 226108239 SPFQLPXQRMZHEK-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED CCCCCCCCN1CCC[C@@](C)(O)CC1 230376113 PYZDXYXLGGMRAO-OAHLLOKOSA-N 241.419 3.584 30 20 BHED CC[C@H](C)[C@@H](C)Nc1nc(Cl)c(C#N)s1 233998485 JPAYXJZWVGNQTN-NKWVEPMBSA-N 243.763 3.515 30 20 BHED COc1cccc(C(C)=NNc2ccccc2)c1 254712023 XYUFTDQYJYIODJ-UHFFFAOYSA-N 240.306 3.531 30 20 BHED CC(C)(C#N)CCSCc1ccc(F)cc1 276593350 IUGJTFFIFFLGJC-UHFFFAOYSA-N 237.343 3.999 30 20 BHED CC[C@H](C#N)SCc1c(F)cccc1F 289571844 QMCXBPLMMQLEJV-MRVPVSSYSA-N 227.279 3.500 30 20 BHED C=CCC(CC=C)C(=O)N1CC(C)(C)[C@H]1C(C)C 293852362 JFMQRZJMMSZFAQ-CQSZACIVSA-N 249.398 3.648 30 20 BHED Cc1ncc(CSc2ccc(C#N)cc2)s1 334333294 TXTPHDGUSGWXMM-UHFFFAOYSA-N 246.360 3.616 30 20 BHED CC[C@H](N[C@H]1CCC[C@@H]1C)c1ccc(C#N)cc1 337566109 YHJKOPJZLWRHKQ-RCBQFDQVSA-N 242.366 3.788 30 20 BHED CCN(CCCCC#N)c1cccc(C)c1C 338732305 HYJCIJRENOLREL-UHFFFAOYSA-N 230.355 3.824 30 20 BHED C=CCCOc1ccc2[nH]c(C)cc2c1F 339028591 ZWZFKANFYNOUNQ-UHFFFAOYSA-N 219.259 3.570 30 20 BHED Cl/C=C/CON=Cc1cc(Cl)cs1 379370391 GEIUVQVYQZRCNG-NNKDLDAJSA-N 236.123 3.505 30 20 BHED C=CC[C@H](CC)NC(=O)[C@H](C)CCC(C)(C)C 410128220 QWAZNQRYUSONHX-OLZOCXBDSA-N 239.403 3.920 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1ccc(F)cc1C 424527675 CZNBNXVTAZMIJS-UHFFFAOYSA-N 235.302 3.675 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H](C)C1CCCCC1 424680134 DOTJYJRQUPGHEI-LBPRGKRZSA-N 237.387 3.674 30 20 BHED C=C[C@H]1CCCCN1Cc1cccc(OCC)c1 426565926 PUOZTAZBNHOEOG-HNNXBMFYSA-N 245.366 3.626 30 20 BHED C=CCC(C)(C)c1nc(-c2cc(C)oc2C)no1 426616276 UFONUYWHIIWWIA-UHFFFAOYSA-N 246.310 3.800 30 20 BHED C=CCC1(C(=O)NC[C@H]2CC=CCC2)CCCC1 449799930 BCGNYNIRGMEWQA-AWEZNQCLSA-N 247.382 3.595 30 20 BHED C=C(C)CCNC(=O)C[C@H](CC)c1ccccc1 452724330 QSQXJTHTCFMGGH-AWEZNQCLSA-N 245.366 3.653 30 20 BHED C=CCN(C)C(=O)CC(C)(C)C1CCCCC1 476845418 LTYGYNCBWFEGFD-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CC[C@@H](C)N[C@@H](Cc1ccc(F)cc1)C(C)C 539073658 OUVCSCNTSYMXKD-CJNGLKHVSA-N 249.373 3.947 30 20 BHED C[C@@H](CC1CCCCC1)CN(CC#N)C1CC1 541773060 PYRXAIQAUIGRPA-ZDUSSCGKSA-N 234.387 3.581 30 20 BHED Cc1nsc(SCCCC(C)C)c1C#N 569284022 TXZDJMODRJLTJD-UHFFFAOYSA-N 240.397 3.852 30 20 BHED CC(C)C(CN1CCC[C@H](CC#N)C1)C(C)C 597178275 WTVBFDOGYIZJGF-CQSZACIVSA-N 236.403 3.540 30 20 BHED Cc1cccc([C@@H](C)CNC[C@@H](C)CCC#N)c1 602554162 GIILBYNHRBWNIQ-GJZGRUSLSA-N 244.382 3.628 30 20 BHED C=CCN(C(=O)C1CCC=CCC1)C(C)(C)C 637408047 GLWKRKAJCZIRCC-UHFFFAOYSA-N 235.371 3.546 30 20 BHED C=CCC(C)(C)C(=O)N1C2CCCC1CCC2 659459596 XDAFRLCDFQOJNS-UHFFFAOYSA-N 235.371 3.522 30 20 BHED C#Cc1cccc(N[C@@H](C)Cc2ccsc2)c1 689969596 BMXFMFHMEYOHMJ-LBPRGKRZSA-N 241.359 3.773 30 20 BHED C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1cccs1 695789204 VSLRTPXMQZFFHY-QWRGUYRKSA-N 236.384 3.727 30 20 BHED CC(=NNc1cc(F)c(F)cc1F)C(C)C 734302901 UPIUOYJLKAWNKA-UHFFFAOYSA-N 230.233 3.548 30 20 BHED C=CC[C@@H](C)NC(=O)c1ccc([C@H](C)CC)cc1 755379473 QOUCWGWVMNIUTA-CHWSQXEVSA-N 245.366 3.895 30 20 BHED CCCC(CC)=NNc1cccc([N+](=O)[O-])c1C 776180014 JBNXOBGQZJADEU-UHFFFAOYSA-N 249.314 3.881 30 20 BHED CCCC(CC)=NNCCCOc1ccccc1 776186464 OGXSVYVFLXSTJR-UHFFFAOYSA-N 248.370 3.611 30 20 BHED CC[C@H](C)CON=Cc1ccc2ccccc2n1 793144946 GMKRXNWWLBMYGL-LBPRGKRZSA-N 242.322 3.631 30 20 BHED CC[C@@H](C)CON=C(CC(C)C)c1ccccn1 793157762 CPSTVHMGBSOSCI-CYBMUJFWSA-N 248.370 3.895 30 20 BHED C#CCCCN(C(C)C)[C@H](C)c1ccccc1 794683962 JPDKUKWQMOMGHP-OAHLLOKOSA-N 229.367 3.871 30 20 BHED C=C(Cl)COc1ccccc1C(F)(F)F 798097047 PNZBVVZVHCHXEJ-UHFFFAOYSA-N 236.620 3.837 30 20 BHED CC[C@@H]1CCC1=NNc1ccc(Cl)cc1 807941938 AULUTNLIJUZAPJ-SECBINFHSA-N 222.719 3.928 30 20 BHED C=CCCCCCCCN[C@@H](C)c1c[nH]nc1C 810243190 MIXMEMVQBXVFHN-ZDUSSCGKSA-N 249.402 3.895 30 20 BHED CC(C)(C)CCNN=Cc1ccc2[nH]ccc2c1 811647523 PUKDDQGJRXKXGW-UHFFFAOYSA-N 243.354 3.528 30 20 BHED CC(C)c1cnc(C=NNc2ccccc2)s1 814684218 IGHDUUMTVPGQEA-UHFFFAOYSA-N 245.351 3.713 30 20 BHED CC[C@@H](C)CON=C1CC[C@@H]1C1CCC1 814939499 SJIYSJCLWBDFCI-ZYHUDNBSSA-N 209.333 3.615 30 20 BHED C=CCN(C(=O)[C@H]1CCC(C)=C(C)C1)C(C)C 843526042 GAGLEHDTDXODBU-AWEZNQCLSA-N 235.371 3.546 30 20 BHED Cc1ccc(CSCCCC(C)(C)C#N)cn1 1118393130 AYFBHACEKAVRQU-UHFFFAOYSA-N 248.395 3.953 30 20 BHED C=C[C@H](CC)CC(=O)N[C@@H](C)c1cc(C)oc1C 1334990692 YOJVIFZWWGNOQA-WCQYABFASA-N 249.354 3.676 30 20 BHED CC#CCCCC(=O)N[C@H](C)CCCC(C)C 6262147 FRPYSDIEXCZXGR-CQSZACIVSA-N 237.387 3.511 30 20 BHED Cc1ccc(C#N)c(Nc2ccc(C)c(C)c2)n1 43399097 APEPZDDEJBVFQX-UHFFFAOYSA-N 237.306 3.622 30 20 BHED N#Cc1ccc(N2CCCCCC2)cc1Cl 61850671 WNPZXLVKTQOJTH-UHFFFAOYSA-N 234.730 3.592 30 20 BHED N#Cc1ccc(SCC2CCCC2)cc1 62836008 ZAJBQDAAIHFHDA-UHFFFAOYSA-N 217.337 3.841 30 20 BHED CCCCCCCCN[C@@H](CO)c1ccccc1 103855537 PGZKBPROJSSKKI-INIZCTEOSA-N 249.398 3.670 30 20 BHED Cc1ccc([C@H](NCC(C)(C)C#N)C2CC2)cc1 122302600 PLPDLEUZKJQPGD-HNNXBMFYSA-N 242.366 3.586 30 20 BHED C=CCCN[C@H](C)c1cc(C)ccc1C 125391735 UJQQUIQNZAHUOM-CYBMUJFWSA-N 203.329 3.530 30 20 BHED C=CCCN[C@@H](c1ccccc1)C1CCC1 132934641 AILPLSMVJNTXKD-HNNXBMFYSA-N 215.340 3.694 30 20 BHED C=CC1CCN(C(=O)CC2CCCCCC2)CC1 176439985 AMZFZBFAEMTBOX-UHFFFAOYSA-N 249.398 3.772 30 20 BHED CC(C)CC[C@H](NCCCC#N)C(C)(C)C 179902407 BMGNKBTXKIUCLX-ZDUSSCGKSA-N 224.392 3.731 30 20 BHED C=CC[C@@H](C)N[C@H]1CSCCc2ccccc21 180953747 HQQSHJOFOKSNHH-DOMZBBRYSA-N 247.407 3.571 30 20 BHED Cc1cccc(NCc2ccc(C#N)cc2)c1F 181129646 ZYKDZUDKYNDSDW-UHFFFAOYSA-N 240.281 3.618 30 20 BHED N#C[C@@H]1CCC[C@@H](NC2CCCCCCC2)C1 192591838 QVBGCXCMHOZYTO-UKRRQHHQSA-N 234.387 3.771 30 20 BHED CCCC[C@H](C)Nc1cc(F)cc(C#N)c1 227615653 CUTRIHFJSGXDNW-JTQLQIEISA-N 220.291 3.688 30 20 BHED CC[C@H]1CCC[C@@H](NCC(C)(C)CCC#N)C1 229696818 BYAIYEWEUHYLGD-UONOGXRCSA-N 236.403 3.875 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccccc1OCC 297710559 CLZCAMOICSKGNM-UHFFFAOYSA-N 247.338 3.626 30 20 BHED C=CCN(Cc1ccccc1F)[C@H](C)CCC#N 298078041 JVRCIQXAOLJKGT-CYBMUJFWSA-N 246.329 3.506 30 20 BHED C=CCCC[C@H](C)Nc1ccnc(Cl)c1 301994374 GYQGYQRJPPKFHF-JTQLQIEISA-N 224.735 3.892 30 20 BHED C=C(C)CN1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 303905146 TVFBMUXOTKEKPU-JSGCOSHPSA-N 233.330 3.580 30 20 BHED C=C1CCN(C(=O)CCCC2CCCC2)CC1 361823237 SKPXLVFSEQTATD-UHFFFAOYSA-N 235.371 3.526 30 20 BHED C=CCCCCCCNCc1cccnc1C 379741867 MGWBVIDKZXQICM-UHFFFAOYSA-N 232.371 3.616 30 20 BHED C=CCCCCC[C@H](C)NC1CC(C)C1 380110340 OAWRHOLSTAODFX-MOKVOYLWSA-N 209.377 3.900 30 20 BHED Cc1nc(C(C)C)ccc1CSCCC#N 413020211 VOTHEDNQYQPXCM-UHFFFAOYSA-N 234.368 3.660 30 20 BHED CC[C@H](NCCCC(C)(C)C#N)[C@@H]1CC1(C)C 419326569 YIDLSWPSIBTKOI-STQMWFEESA-N 236.403 3.731 30 20 BHED C=CCOCCCS[C@H]1CC[C@@H](C)C1 419475667 OJNLZHSCHRPZHJ-NEPJUHHUSA-N 214.374 3.501 30 20 BHED Cc1cccc(OCc2cccc(F)c2C#N)c1 427511226 HQLLPZVLSMGFFH-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C=CCC(C)(C)C(=O)NC[C@H](CC)CCCC 429913060 CXQLMWWJLQHLCD-CYBMUJFWSA-N 239.403 3.921 30 20 BHED CC1=CCC[C@H](C)[C@@H]1CN(CCC#N)CC1CC1 443421977 ZAWWNWZTOKVZHO-GOEBONIOSA-N 246.398 3.604 30 20 BHED CC#CCCCC(=O)N1CCC[C@]1(C)CC(C)C 452505805 BWUXESJCHNCEFD-MRXNPFEDSA-N 249.398 3.607 30 20 BHED CCCc1cccc(CNCC(C)(C)CC#N)c1 459684213 BTAYRUVPEFRLCA-UHFFFAOYSA-N 244.382 3.669 30 20 BHED CC#CCCCC(=O)N([C@@H](C)CC)[C@H](C)CC 467208474 RVAFHJGYHRXDCW-OKILXGFUSA-N 237.387 3.606 30 20 BHED C=CCCCCCN1CCOCc2ccccc21 470960555 PMMLKJOKTNOKBW-UHFFFAOYSA-N 245.366 3.770 30 20 BHED C=CCC(CC=C)C(=O)N1CC[C@H](C)C(C)(C)C1 545428455 KYVIWLNKGFLQSH-ZDUSSCGKSA-N 249.398 3.649 30 20 BHED CC[C@@H](CC(F)(F)F)Nc1ccc(C#N)cc1 546881995 LVYLBSGNYTZXRT-JTQLQIEISA-N 242.244 3.701 30 20 BHED CC[C@@H](CC#N)NC/C=C/c1ccc(Cl)cc1 555162967 CJZINWKMPZVHRV-XGACYXMMSA-N 248.757 3.635 30 20 BHED C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H](CC)C1 563725420 VFPFNCLDZBBJTH-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C=CCC(C)(C)c1noc([C@H](C)CCC)n1 568906440 QCKJGGRDLMZWRC-SNVBAGLBSA-N 222.332 3.827 30 20 BHED CC(F)(F)CCSc1cccc(F)c1C#N 571418341 KMXXFVYUHLRJMU-UHFFFAOYSA-N 245.269 3.835 30 20 BHED CN(CCC1CCCCC1)[C@@H]1CC[C@@H](C#N)C1 584517674 FRQWTGBAJKVHIM-HUUCEWRRSA-N 234.387 3.581 30 20 BHED CC(C)Oc1ccc(CC#N)cc1-c1ccco1 592985217 JTXZTEYTARZXSU-UHFFFAOYSA-N 241.290 3.800 30 20 BHED CC1=CCC[C@H](C)[C@@H]1CN1CCC[C@H](CC#N)C1 597176995 LFNHVOWVCNAMPK-ARFHVFGLSA-N 246.398 3.604 30 20 BHED N#C[C@H](Cc1ccccc1)SC1CCCC1 604553085 HKFZZWGLYBVUQQ-AWEZNQCLSA-N 231.364 3.797 30 20 BHED C=CCCCC[C@@H](C)N[C@@H]1CCC(F)(F)C1 648482876 UPBOIYPTMORQII-VXGBXAGGSA-N 231.330 3.899 30 20 BHED C=CCCCCCN1CCC2(CC1)CC2(F)F 649772944 DBLFNFDOFGPPMQ-UHFFFAOYSA-N 243.341 3.854 30 20 BHED C=CCC[C@H](C)NC1CCC(OC(C)C)CC1 680475472 KVHFMMMDCQISJL-NFOMZHRRSA-N 239.403 3.667 30 20 BHED CCCCCCCN[C@@H]1C[C@H](C)O[C@H](C)C1 724255230 AHTYWKFZMXCRTN-WDNDVIMCSA-N 227.392 3.502 30 20 BHED C#CCCCCc1nc([C@H]2CCC[C@H](C)C2)no1 761797290 WFDUBGUXOFUQBI-STQMWFEESA-N 246.354 3.709 30 20 BHED CCCCCCCCCC(=O)Nc1cncnc1 767151466 SUMPTTJVMFVJBG-UHFFFAOYSA-N 249.358 3.556 30 20 BHED CCCC(CCC)=NOCCC(F)(F)F 777461328 XMKZVJZBLAJOFP-UHFFFAOYSA-N 225.254 3.912 30 20 BHED C[C@@H](NN=Cc1cscc1Cl)C(C)(C)C 793115352 MKAZJBRUNHEAPB-MRVPVSSYSA-N 244.791 3.760 30 20 BHED C#C[C@H](N[C@H]1CCC[C@H]1c1ccccc1)C(C)C 809685240 HYPIZDNNNMRARW-ULQDDVLXSA-N 241.378 3.570 30 20 BHED CC1CC(=NNc2c(F)cccc2Cl)C1 814904983 IXWQIDIFTUDRQA-UHFFFAOYSA-N 226.682 3.677 30 20 BHED CC(=NNc1ccc(C(C)C)cc1)[C@@H]1CCOC1 835018921 XZVRGYYRSBFXIQ-CQSZACIVSA-N 246.354 3.634 30 20 BHED Cc1ccc(NN=C2[C@@H]3CCC[C@@H]3C2(C)C)nc1 853300884 HMZQPZSGEYZGGK-NEPJUHHUSA-N 243.354 3.614 30 20 BHED C=C[C@H](C)ON=C1CCC(=C2CCC2)CC1 853370247 HVLAIMBNFVLONC-NSHDSACASA-N 219.328 3.988 30 20 BHED CCCCCCCNC(=O)c1ccoc1CC 862357001 LXBGGHQJDVKZFR-UHFFFAOYSA-N 237.343 3.542 30 20 BHED CCOc1ccc(/C=N\C2CCCCC2)c(O)c1 920943578 QHALQWOEJHZMFR-WJDWOHSUSA-N 247.338 3.543 30 20 BHED O=C1/C(=C/c2cccs2)Cc2c(F)cccc21 921264402 SOYNLDOTKDZDHV-VQHVLOKHSA-N 244.290 3.710 30 20 BHED CC[C@H]1CCCN([C@H](C#N)c2ccccc2)CC1 1167377982 XKZDOZFCPNBPTA-GOEBONIOSA-N 242.366 3.763 30 20 BHED C#CCCCC(=O)Nc1cc(C)c(C)cc1Cl 1347926010 DOLUMWXFLGOAQG-UHFFFAOYSA-N 249.741 3.699 30 20 BHED C=C(CC)C(=O)Nc1c(C)cc(OC)c(C)c1C 1528419106 YQAIRYYWOXAMPA-UHFFFAOYSA-N 247.338 3.525 30 20 BHED C=C(Cl)CN[C@](C)(CC)c1ccc(F)cc1 1560059609 UONKTVSBCZPIJF-CYBMUJFWSA-N 241.737 3.793 30 20 BHED CCC1(CC)CCCN(CC2(CC#N)CC2)CC1 1658267549 DPIQPSSWXVLWTO-UHFFFAOYSA-N 248.414 3.973 30 20 BHED N#CCc1ccc(NC[C@@H]2CC=CCC2)cc1 37071203 IZCNKMUZDYYRHK-CQSZACIVSA-N 226.323 3.521 30 20 BHED C[C@H](NC[C@H]1CC=CCC1)c1cccc(C#N)c1 45629216 BAISLEUPNYYHFO-KBPBESRZSA-N 240.350 3.565 30 20 BHED Cc1ccc(C#N)cc1NCc1ccsc1 50429133 SXEPUTFADOJAIV-UHFFFAOYSA-N 228.320 3.540 30 20 BHED C=C(C)CN(C)Cc1ccc(C(F)(F)F)cc1 52921250 RKAUWLFEAUDQOA-UHFFFAOYSA-N 243.272 3.713 30 20 BHED C=C(C)COc1cc(F)cc(Br)c1 88138757 ABCVNAKGAJZUIU-UHFFFAOYSA-N 245.091 3.543 30 20 BHED CN(Cc1ccsc1)CC(C)(C)CCC#N 120495482 WWDVMZLVJUCIRA-UHFFFAOYSA-N 236.384 3.510 30 20 BHED CCCCC[C@@H](C)NCc1ccc(C#N)s1 135494508 GARWOEWAZKKFFR-LLVKDONJSA-N 236.384 3.678 30 20 BHED C[C@@H]1CCCC[C@@H]1CNCc1ccc(C#N)s1 135686787 ITVZLKZGWNWLJR-VXGBXAGGSA-N 248.395 3.536 30 20 BHED C#CCCCCNC(=O)C[C@H](CC)CCCC 156043082 HEDJNFYMNYMRCS-CQSZACIVSA-N 237.387 3.513 30 20 BHED C=C[C@@](C)(CC)c1nc(C2CCCC2)no1 191164782 WFLAFZRMRYJLQM-ZDUSSCGKSA-N 220.316 3.581 30 20 BHED C=C(C)CN1C[C@H](c2ccccc2C)C[C@@H]1C 303805306 XTDVIUBRCIZCAU-LSDHHAIUSA-N 229.367 3.749 30 20 BHED C=CC[C@@H](CC)NCc1cccc(C)c1C 309438752 HYUZGBOUXOPGCF-OAHLLOKOSA-N 217.356 3.748 30 20 BHED C=CCCCCC[C@@H](C)N[C@H](C)[C@H](C)OC 309460682 NVPZRBCCYSOFAP-MCIONIFRSA-N 227.392 3.524 30 20 BHED N#CC1(CSc2ccc3ccccc3n2)CC1 336587482 BHMCWVUDAUCMSD-UHFFFAOYSA-N 240.331 3.631 30 20 BHED C=C(CC)CNc1cnn(CC(C)C)c1C1CC1 345324162 LOOVYMOVIJPQKN-UHFFFAOYSA-N 247.386 3.795 30 20 BHED C=C(C)CCc1noc([C@@H]2CC=CC[C@H]2C)n1 347267140 POUQMGHKIFWCGK-VXGBXAGGSA-N 232.327 3.648 30 20 BHED C=C(Cl)CNCC1CCC(C)(C)CC1 379538689 NIQVXDTXHOXVEL-UHFFFAOYSA-N 215.768 3.545 30 20 BHED C=CC[C@H](CC)NC(=O)CC1CCCCCC1 410127345 LTDVSNCRQDAHBO-AWEZNQCLSA-N 237.387 3.818 30 20 BHED C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[C@@H](C)C1 424607405 LFDYIUYNHAAGGN-CHWSQXEVSA-N 237.387 3.531 30 20 BHED C=C(C)C(C)(C)C(=O)N1CCC[C@H](CCC)C1 424716761 FRCGEGKFZOSEKO-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED CC(C)=CCSc1ncc(C#N)cc1Cl 447691417 REGGEUICLPPZIB-UHFFFAOYSA-N 238.743 3.665 30 20 BHED C=CCCCC[C@H](C)NCCC(F)(F)F 449179215 WCEDOYRLWYNLCG-JTQLQIEISA-N 223.282 3.663 30 20 BHED C=CCCCC(=O)N[C@H](CCC)C(C)(C)C 452664697 UWBVECXPXMFFKT-GFCCVEGCSA-N 225.376 3.674 30 20 BHED C=C(C)CCNC(=O)C[C@H](C)c1ccccc1C 452719998 VGPRDPKZUYYCME-AWEZNQCLSA-N 245.366 3.571 30 20 BHED C=CCCCC(=O)NCC1(CC=C)CCCC1 456481351 BBIZSTVECHQYLI-UHFFFAOYSA-N 235.371 3.595 30 20 BHED C=CC[C@@H]1N(C(=O)C2CCCC2)CCCC1(C)C 470294983 BRDBDGDFZOFTJS-AWEZNQCLSA-N 249.398 3.770 30 20 BHED C=CCCCN1CCC[C@H](Nc2ccccc2)C1 490041717 NBRGJQGEWDVINS-INIZCTEOSA-N 244.382 3.529 30 20 BHED C=C1CCN(Cc2cccn2CCC(C)C)CC1 513472532 GZEJINFVWQFCMI-UHFFFAOYSA-N 246.398 3.686 30 20 BHED C=C(C)COc1cccc(C(F)(F)F)c1 514494246 NSYIFDQHFRLSKA-UHFFFAOYSA-N 216.202 3.660 30 20 BHED CC(C)C[C@H](C)Cn1nc(C#N)c2ccccc21 539708905 GJEXGVKMEBGRBO-LBPRGKRZSA-N 241.338 3.590 30 20 BHED C=CC[C@H]1N(CCC(C)(C)C#N)CCCC1(C)C 554264961 XABBZDCYWUXDNG-CQSZACIVSA-N 248.414 3.993 30 20 BHED N#CCCCCN[C@@H](CC1CC1)c1ccccc1 557539937 VEDLFHDNJYVQNT-INIZCTEOSA-N 242.366 3.811 30 20 BHED N#CCCCCCc1nc(C2CCCCC2)no1 588320725 OCAMKYNYSBMFAY-UHFFFAOYSA-N 247.342 3.744 30 20 BHED N#CCCCN1CCC[C@@H](C2CCCCC2)C1 595878349 NFOQMFJWLPZGEU-OAHLLOKOSA-N 234.387 3.582 30 20 BHED CC[C@@H](CC(=O)Nc1ccc(C#N)cc1)C(C)C 609160950 SAGOLXVRHDJDBW-ZDUSSCGKSA-N 244.338 3.569 30 20 BHED CN(CCCCC#N)[C@H]1CCCc2ccccc21 610665305 CWGCKZIRESYKNM-INIZCTEOSA-N 242.366 3.690 30 20 BHED CC(C)C(NCCCCC(C)(C)C#N)C(C)C 618304524 LKXQXQJVKCOELO-UHFFFAOYSA-N 238.419 3.977 30 20 BHED C=CC[C@H]1CCCC[C@@H]1NCc1ccnc(C)c1 658025430 BTXHGDOQPCWKJF-HOTGVXAUSA-N 244.382 3.615 30 20 BHED C=CCCCCNC(=O)C[C@@H](C)CC(C)(C)C 681145175 JQDYUHJHVGIZMA-CYBMUJFWSA-N 239.403 3.921 30 20 BHED Cc1ccc(N[C@H](C)CC(C)(C)C#N)cc1 695791813 PNLIYYHNRJDQGB-GFCCVEGCSA-N 216.328 3.735 30 20 BHED CCCCCCCCNC(=O)[C@H](C)C(C)C 754855810 YCBMBMAVZWKAHV-CYBMUJFWSA-N 227.392 3.755 30 20 BHED CC(C)c1nc(C#N)c(NN=CCC(C)(C)C)o1 755673858 LHTNVRCPGXVEBD-UHFFFAOYSA-N 248.330 3.504 30 20 BHED C#CC[C@H](NCC/C=C/CC)c1ccccc1 767340101 ZJLLQJBVTWMVNS-JFDDCEBESA-N 227.351 3.697 30 20 BHED CC(=NNc1c(C)cccc1F)c1ccccc1 769840396 JHHKZXAJEUZCQJ-UHFFFAOYSA-N 242.297 3.970 30 20 BHED C#CC[C@H](N[C@@H](C)c1ccoc1)c1ccccc1 773117839 XNUDEMSYWALXNR-BBRMVZONSA-N 239.318 3.695 30 20 BHED C=C[C@H](C)NC(=O)[C@@](C)(CC)CCCCC 780888081 JJQVFWZVUBUMSR-JSGCOSHPSA-N 225.376 3.674 30 20 BHED CO[C@H](C(C)=NOC1CCCC1)c1ccccc1 782268080 MRUYVTIOWWHOEZ-OAHLLOKOSA-N 247.338 3.709 30 20 BHED CC1(C)CCC1=NN[C@H]1CCCCC1(C)C 789055590 YNMHHQXRRRQVDT-NSHDSACASA-N 222.376 3.721 30 20 BHED CCCCCCCC(=O)N[C@H]1CCC1(C)C 805321189 IBYKQCWTLZWMGS-LBPRGKRZSA-N 225.376 3.652 30 20 BHED C=CCCCCCCN[C@H](C)c1c[nH]nc1C 806167715 GSMGESNYLBMSIA-GFCCVEGCSA-N 235.375 3.505 30 20 BHED C=C(C)C(C)(C)C(=O)NC1CCCCCCC1 818998842 MJPFNOODDMQDRQ-UHFFFAOYSA-N 237.387 3.818 30 20 BHED C=C1CCC(C(=O)N2C3CCCC2CCC3)CC1 889237186 MABJBBPZLZTHTK-UHFFFAOYSA-N 247.382 3.666 30 20 BHED C=CCCCc1nc(-c2ccc(CC)cc2)no1 904575490 JHSZVSJHNVPCNE-UHFFFAOYSA-N 242.322 3.808 30 20 BHED CC(C)[C@@H](C)N(C)CCCCC1(C#N)CCC1 929200458 IOGIUSUIWVOJTC-CQSZACIVSA-N 236.403 3.827 30 20 BHED C=C[C@H](CC)CC(=O)Nc1cc(O)c(C)cc1C 935396093 PVSTURIQBXJQRO-GFCCVEGCSA-N 247.338 3.550 30 20 BHED CC(C)(C)ON=C1CC(c2ccccc2)C1 1327800581 NUASKYNAHDMJNG-UHFFFAOYSA-N 217.312 3.735 30 20 BHED C=C(Cl)CN1CCCc2cc(F)cc(C)c21 1652761309 WCNYWOLAWZFLQT-UHFFFAOYSA-N 239.721 3.639 30 20 BHED N#Cc1cccc(NCc2ccc(Cl)s2)c1 20051492 ULZIYPXOEMRNBS-UHFFFAOYSA-N 248.738 3.885 30 20 BHED CCCc1ccc(Nc2ccc(C#N)cn2)cc1 37250981 NEGQYIBNQRWCNJ-UHFFFAOYSA-N 237.306 3.649 30 20 BHED C[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccco1 37260561 VXXMIHNHEYEXMQ-NEPJUHHUSA-N 240.306 3.563 30 20 BHED CC[C@H](CC#N)NCc1csc2ccccc12 54463784 QNILUDMSLSUGOX-GFCCVEGCSA-N 244.363 3.683 30 20 BHED C=C(C)COc1cccc(NC(=O)/C(C)=C\C)c1 81731807 BVUFGYPQBHEUMD-XGICHPGQSA-N 245.322 3.546 30 20 BHED C#CCCSc1cccc(Br)c1 82496897 JXSLGNBTVCGZAO-UHFFFAOYSA-N 241.153 3.565 30 20 BHED C=CCSCCN[C@H](CC)c1cccs1 129337356 PWCHHZRTXYSYSJ-LLVKDONJSA-N 241.425 3.708 30 20 BHED C[C@@H](CC1CCC1)N[C@@H](C)c1ccc(C#N)cc1 129596128 CMBMDIICXBZIIA-STQMWFEESA-N 242.366 3.788 30 20 BHED C=CCC[C@@H](C)Nc1ccc(C)c(NC(C)=O)c1 130605039 PIVBRGDKAJTLPK-GFCCVEGCSA-N 246.354 3.720 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1cscn1 133100842 KOOIHHFKHPQDNL-MNOVXSKESA-N 224.373 3.539 30 20 BHED C=CCCCC[C@@H](C)N[C@@H]1CCCSC1 134820358 DVAKUXIPBJNYIZ-CHWSQXEVSA-N 227.417 3.607 30 20 BHED C=C(C)CN[C@H](C)c1ccc(Cl)c(F)c1 163179710 HLQWQOIJFGXNIU-SECBINFHSA-N 227.710 3.706 30 20 BHED C=CCCCC(=O)N1CCC[C@H](C(C)C)CC1 175681833 JWHVYDLUMNEVFW-AWEZNQCLSA-N 237.387 3.627 30 20 BHED C=CCCCCCN(C)C(=O)c1oc(C)cc1C 176837232 UKQWJLINGHRZGQ-UHFFFAOYSA-N 249.354 3.715 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1ccccc1O 179894067 IFDLUGFHPOPRTD-STQMWFEESA-N 233.355 3.788 30 20 BHED CC(C)CCN[C@@H](CCC#N)c1ccccc1 181937778 JDEKUVNCXKZJIW-HNNXBMFYSA-N 230.355 3.667 30 20 BHED CC/C=C/CCNc1ccccc1O[C@H](C)C#N 185135034 JANRNTIASYHSHK-MUBLQREKSA-N 244.338 3.746 30 20 BHED C#CCCCCN[C@@H]1CCCCc2ccccc21 229739635 SYJIKBWWYKBSFP-QGZVFWFLSA-N 241.378 3.847 30 20 BHED CC[C@@H](C)[C@H](C)NCCCCC(C)(C)C#N 233862037 CKMLUMVATZXNAM-OLZOCXBDSA-N 224.392 3.731 30 20 BHED C=CCNc1ccc2c3c(cccc13)CC2 238075406 FJXZJNGKFDDFPV-UHFFFAOYSA-N 209.292 3.536 30 20 BHED Cc1ccccc1S[C@H]1CC[C@@H](C#N)C1 278581013 OTSIJZHBQISKJB-NEPJUHHUSA-N 217.337 3.779 30 20 BHED Cn1ccc2cccc(NCCC(C)(C)C#N)c21 288807550 ZZODBQNSVKWIKY-UHFFFAOYSA-N 241.338 3.530 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(CSC)cc1 294498162 GUYRAGOBFBECAO-UHFFFAOYSA-N 249.379 3.700 30 20 BHED C=CCCC(=O)N[C@@H](CC)c1ccc(C)cc1 338624896 IBDWNNLCCSIDSH-AWEZNQCLSA-N 231.339 3.529 30 20 BHED N#Cc1cccc(CN2CC[C@H]2c2ccccc2)c1 348524909 KRFKRFAWPVQRGL-KRWDZBQOSA-N 248.329 3.505 30 20 BHED N#Cc1cccc(CSCCCCF)c1F 350767655 MWJSUYCQJTVHIY-UHFFFAOYSA-N 241.306 3.680 30 20 BHED C#CCCCSCCSC(C)(C)C 388697694 MLPCGFXMILVTEF-UHFFFAOYSA-N 216.415 3.665 30 20 BHED CCCC[C@@H](CC)CN1CCC(CC#N)CC1 397171231 DZWWFIDBHDBCKZ-CQSZACIVSA-N 236.403 3.828 30 20 BHED C=CCCC[C@@H](C)N[C@@H]1CCCc2cccnc21 398190091 RDKOEUILFITPTD-UKRRQHHQSA-N 244.382 3.793 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H](C)c1cccc(C)c1 410127703 CLDMEUOHNZHSBM-ZFWWWQNUSA-N 245.366 3.569 30 20 BHED C[C@@H](SCCC#N)c1cccc(F)c1 413012356 LGIHLNHHXVRNBK-SECBINFHSA-N 209.289 3.534 30 20 BHED C=CCCNc1ccc2c(c1)C(=O)CCCC2 421195301 NKXNBTPJQWDFRC-UHFFFAOYSA-N 229.323 3.584 30 20 BHED Cc1cccc(S[C@@H]2CC[C@@H](C#N)C2)c1 430093925 HVVKPWWMOFTIAR-DGCLKSJQSA-N 217.337 3.779 30 20 BHED CC1(C#N)CCC(NCCC2=CCCCC2)CC1 449070256 ZXOVXSNAYZEVIK-UHFFFAOYSA-N 246.398 3.939 30 20 BHED CC(C)=CCSc1cccc(C#N)c1[N+](=O)[O-] 450490294 ZKANKEHLQAAHRC-UHFFFAOYSA-N 248.307 3.525 30 20 BHED C=C(CC)CNC(=O)Nc1c(C)cccc1CC 454162319 XGWXXMPBEPNZFG-UHFFFAOYSA-N 246.354 3.645 30 20 BHED C=CCC(CC=C)C(=O)N[C@H](C)CC(C)(C)C 457187299 AEMMHZRAUJUASO-GFCCVEGCSA-N 237.387 3.696 30 20 BHED C=CCC[C@@H](CCC)N[C@@H](C)CC(C)(C)OC 462118009 NKJATCFQEYXVOL-UONOGXRCSA-N 241.419 3.915 30 20 BHED CC#CCCN(C)Cc1ccc2ccccc2c1 462323369 COAQXGPNHSUZMP-UHFFFAOYSA-N 237.346 3.685 30 20 BHED C=CCC(C)(C)CNC(=O)[C@@](C)(CC)CCC 490035202 CBGLIAGVYPYCSO-HNNXBMFYSA-N 239.403 3.921 30 20 BHED C=CCCCCN[C@@H](C)[C@@H](OC)c1ccccc1 494786640 GGFDWUNXEPDAPG-GOEBONIOSA-N 247.382 3.709 30 20 BHED C=CCC[C@H](CC)N[C@@H]1CC(C)(C)OC1(C)C 495428279 WJLCARVZNUNWJR-QWHCGFSZSA-N 239.403 3.667 30 20 BHED C=CCCC(=O)N(CCC)Cc1ccc(C)cc1 588018509 ZIGLKEIZJAEIJT-UHFFFAOYSA-N 245.366 3.700 30 20 BHED C=CCCNC[C@H](C)c1cccc(Cl)c1 657583059 WPJOEHFRZNCTHJ-NSHDSACASA-N 223.747 3.609 30 20 BHED CCCCC(C)=NNCCCc1ccccc1 729147603 CPDYJNMAKYCHGH-UHFFFAOYSA-N 232.371 3.775 30 20 BHED C=CCCCSC1=Nc2ccccc2C1 740766416 JMDZUDGMTCMOPY-UHFFFAOYSA-N 217.337 3.972 30 20 BHED CON=C1C[C@H](C)C[C@@H](c2ccccc2)C1 749859756 YIAYJQYTLVWZFQ-DGCLKSJQSA-N 217.312 3.593 30 20 BHED CC(C)(C)C1CCC(C=NNC2CC2)CC1 758133360 MNLKLWVKAGIPLL-UHFFFAOYSA-N 222.376 3.577 30 20 BHED CCCCCCCC(=O)N[C@@H](C)c1ccc[nH]1 760730454 UUUGPYOYOMKWID-LBPRGKRZSA-N 236.359 3.552 30 20 BHED C=CCCC(=O)OCc1ccc(Cl)c(C)c1 781172443 IAFWDOGSZLKREW-UHFFFAOYSA-N 238.714 3.658 30 20 BHED C=CC[C@H](CC)N[C@H]1CCc2cc(C)ccc21 798937779 VLIZSFZWCSDASC-HOCLYGCPSA-N 229.367 3.927 30 20 BHED CCC(CC)CNN=C1CCC[C@H]1CCCF 800815494 BDBJRLQIQQQFQV-ZDUSSCGKSA-N 242.382 3.918 30 20 BHED C=CCCC(CCC)=NNc1cc(C)ccn1 814867651 NHUDYNXUPRUYSY-UHFFFAOYSA-N 231.343 3.924 30 20 BHED C=C[C@H](OC(=O)C1CCCC1)c1ccccc1 851454313 ZXNQBOWCPLSRIN-AWEZNQCLSA-N 230.307 3.647 30 20 BHED CC[C@H](C)CC=NNc1ccnc(Cl)c1 853395329 TYEVNSGDJJENCC-VIFPVBQESA-N 225.723 3.569 30 20 BHED CCCCCCCCC(=O)N(C)[C@H](C)C1CC1 891262460 RLVZQJYZCALQPV-CYBMUJFWSA-N 239.403 3.994 30 20 BHED CC(=NNc1ccc(F)cc1)c1cccc(F)c1 916268298 WZMUBBXHMIQCHU-UHFFFAOYSA-N 246.260 3.801 30 20 BHED C=C(Cl)COc1ccc2ccc(OC)cc2c1 916610914 LLTVQEHXXQTVDH-UHFFFAOYSA-N 248.709 3.980 30 20 BHED CCCCCCCCCOC(=O)c1ccccn1 918852276 NPIXMDPNCXEGHT-UHFFFAOYSA-N 249.354 3.989 30 20 BHED CCC(C=NNc1cc(F)cc(F)c1)CC 920376659 NAMKJOFIPHZETA-UHFFFAOYSA-N 226.270 3.799 30 20 BHED C=C[C@@H](CC)CC(=O)N(Cc1ccco1)C(C)C 931002339 CSCZWODEHNYQDT-ZDUSSCGKSA-N 249.354 3.619 30 20 BHED C=C[C@](C)(CC)c1nnc(C2CCCC2)o1 1118427387 IQOSPEXWMDWWLJ-CYBMUJFWSA-N 220.316 3.581 30 20 BHED C[C@H](Nc1ncccc1C#N)[C@H]1CCC[C@@H](C)C1 1186713327 LMNWDFBAHBRDGF-AGIUHOORSA-N 243.354 3.580 30 20 BHED Cc1cc(Sc2ccc(F)cc2)ncc1C#N 1306911920 DHSLFUNRJXFQRE-UHFFFAOYSA-N 244.294 3.552 30 20 BHED C=C(C)CCC(=O)N[C@H](C)CCC=C(C)C 1338838601 SDEPQLMKDMQRQM-CYBMUJFWSA-N 223.360 3.594 30 20 BHED C=C[C@](C)(CC)c1nnc(-c2ccccc2C)o1 1349975360 CXIQNMNNSAMPGK-OAHLLOKOSA-N 242.322 3.899 30 20 BHED N#Cc1ccc(SC2CCCC2)c(F)c1 62829622 DOJNWQGZKLXPHP-UHFFFAOYSA-N 221.300 3.732 30 20 BHED C=CCCCN(C)[C@H]1CC[C@@H](SCC)C1 76071423 UPUUQAOTDNWJPB-QWHCGFSZSA-N 227.417 3.559 30 20 BHED C[C@H](CC1CCC1)Nc1ccc(CC#N)cc1 169280391 HUTVIKVKUWCKFJ-GFCCVEGCSA-N 228.339 3.743 30 20 BHED C=CCCCC(=O)Nc1ccc2ncccc2c1 175398822 QHAALFGGWCTHET-UHFFFAOYSA-N 240.306 3.530 30 20 BHED CC1(C)CCC/C(=C\c2ccccc2C#N)C1=O 179330168 OJEVFTIDNXBTPV-JLHYYAGUSA-N 239.318 3.721 30 20 BHED CC[C@@H](C)CSc1ccc(C#N)cc1F 228559051 VAILKTANIZTXTE-SECBINFHSA-N 223.316 3.836 30 20 BHED COc1ccccc1CSCCCCC#N 268754882 WRQOXSDHGXUEAQ-UHFFFAOYSA-N 235.352 3.622 30 20 BHED C=CCC(CC=C)C(=O)N1[C@@H](CC)CC[C@H]1C 271429547 MSRUFDWRMBGFLL-OCCSQVGLSA-N 235.371 3.544 30 20 BHED C[C@@H](NC1CCCCC1)c1ccc(C#N)c(F)c1 271974439 XMXXWTPLYFHNBD-LLVKDONJSA-N 246.329 3.681 30 20 BHED Cc1nsc(NC[C@H]2CCC[C@@H](C)C2)c1C#N 300684421 SFYNRGBOUYSFKE-KOLCDFICSA-N 249.383 3.561 30 20 BHED C=C(CC)CN[C@H](CC)c1ccsc1 313493122 FFHIWLXMHRIBGY-GFCCVEGCSA-N 209.358 3.755 30 20 BHED C[C@@H](SCCC#N)c1ccc(F)cc1 344770736 IJMBFIYSXFBONT-SECBINFHSA-N 209.289 3.534 30 20 BHED C=C(C)CCc1noc([C@H](C)c2ccsc2)n1 351607580 MEAOXNVMGVWTCY-SNVBAGLBSA-N 248.351 3.792 30 20 BHED CC1(C)CCC[C@@H](c2noc(CCCC#N)n2)C1 361266631 UWVCPSUVBKRHRH-LLVKDONJSA-N 247.342 3.600 30 20 BHED CCCCCCCN[C@H]1CCC[C@H]2C[C@H]21 378803308 VNCFQEWCHDBBQF-MJBXVCDLSA-N 209.377 3.735 30 20 BHED C=C(Cl)CSCc1ccc(C)cc1 379358175 UQLDOMDIVKHJGT-UHFFFAOYSA-N 212.745 3.981 30 20 BHED CC[C@@H](C#N)S[C@H](C)c1cccs1 379365858 QELJXQZSDNICKC-BDAKNGLRSA-N 211.355 3.844 30 20 BHED C[C@@H](CC(C)(C)C)Nc1ccc(CC#N)cc1 384981760 UNEXTZOXIHKBJB-LBPRGKRZSA-N 230.355 3.989 30 20 BHED C=CCC[C@H](C)N[C@@H]1CSc2ccccc21 390614413 GHYGICWERDREOE-WCQYABFASA-N 233.380 3.778 30 20 BHED C=CC[C@H](CC)N[C@@H](CC)c1ccccc1O 393776768 YIQDCSLBBRXFEX-JSGCOSHPSA-N 233.355 3.788 30 20 BHED N#Cc1cc(-c2cccs2)nn1C1CCCC1 409443743 SUICEHYVOQYADG-UHFFFAOYSA-N 243.335 3.598 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CC[C@H](C2CCCC2)C1 421644903 GBRCZYAGPJBSKL-HOCLYGCPSA-N 249.398 3.627 30 20 BHED CC(C)CC[C@H]1CC[C@H](NCC(C)(C)C#N)C1 449241021 QNXMEIAQZRJRDD-KBPBESRZSA-N 236.403 3.731 30 20 BHED C=CCC[C@@H](NC/C=C\CC)c1ccco1 453324693 QONZOTYUBZCASW-SCXUMTSISA-N 219.328 3.843 30 20 BHED C=CCC(CC=C)C(=O)N[C@@]1(C)CCCC[C@H]1C 457251188 JQANAQKPRRKCSK-CJNGLKHVSA-N 249.398 3.840 30 20 BHED C=CCCCCCN(C)C(=O)C1(CCC)CC1 472254191 CXGWBERSHBDBNC-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C=CCC(C)(C)CNCc1ccc(C#N)c(C)c1 516146206 AYYGMXWCSJBTSX-UHFFFAOYSA-N 242.366 3.559 30 20 BHED C=CCCCOc1ccc(C(=O)OC(C)C)cc1 522748584 OTFXUHTZUVIZNI-UHFFFAOYSA-N 248.322 3.597 30 20 BHED C=CCCCN1CCCC[C@@H]1[C@H](C)CC 525327912 NTFMYZHAWNMVPE-ZIAGYGMSSA-N 209.377 3.853 30 20 BHED CCN(C[C@H](C)C#N)C[C@H]1CCCC(C)(C)C1 535787434 SIKSAUGNHKERRH-KGLIPLIRSA-N 236.403 3.684 30 20 BHED CC[C@@H]1CCCC[C@@H]1c1noc(C(C)(C)C#N)n1 551533540 AAMHKWXKRCVEAL-MNOVXSKESA-N 247.342 3.555 30 20 BHED C[C@@H]1CCCC[C@H]1CSCCCC#N 596375644 DRVXEEOQLCHKFS-NEPJUHHUSA-N 211.374 3.850 30 20 BHED CC(C)C[C@@H](C)CC(=O)Nc1ccc(C#N)cc1 609009285 MBTYMMSJSDFDNN-GFCCVEGCSA-N 244.338 3.569 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H]1CCC[C@H]1CC 620855776 JGKLIKLNJPNPIW-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C=C(C)CN(CC)CCOc1cccc(CC)c1 674783325 YTMNDQXQEARPON-UHFFFAOYSA-N 247.382 3.526 30 20 BHED C=CC[C@H](CC)NC(=O)C[C@@H](C)CC(C)(C)C 684939819 WNPRHLYCRGWVHL-OLZOCXBDSA-N 239.403 3.920 30 20 BHED Clc1cccnc1NN=C[C@@H]1C[C@H]2CC[C@H]1C2 762418731 SFKOFFAQQMMBTD-DCAQKATOSA-N 249.745 3.569 30 20 BHED C#CCN[C@H](CCc1ccccc1)c1ccccc1 764600144 WKVLTYMVKLBQFJ-GOSISDBHSA-N 249.357 3.583 30 20 BHED CCC(CC)NN=C1CC[C@@H](C)[C@@H](C)C1 767378067 DUIWJPXHUWUVPV-MNOVXSKESA-N 210.365 3.577 30 20 BHED CCON=Cc1ccc(-c2ccccc2Cl)o1 767462777 PHJDXEZCXTYERB-UHFFFAOYSA-N 249.697 3.970 30 20 BHED C#CCCCCN[C@@H]1CCC[C@H]1c1ccccc1 773042521 WDCFYEQRVLLMFJ-DLBZAZTESA-N 241.378 3.716 30 20 BHED CCCCC(COC)=NOC1CCCCC1 777459212 MYHBVCMHXSNGNF-UHFFFAOYSA-N 227.348 3.528 30 20 BHED C#CCCCCCC(=O)N[C@@H](C)C[C@H](C)CC 779921896 DUGIFFFXRRWXHQ-KGLIPLIRSA-N 237.387 3.511 30 20 BHED CCCCCCC=NNc1cccc(F)n1 795006459 JHBZBODIFCJVRK-UHFFFAOYSA-N 223.295 3.589 30 20 BHED Cc1cc(F)ccc1NN=C[C@@H]1CC[C@@H](C)C1 800814417 NXLLWKLDEPYQRJ-ZYHUDNBSSA-N 234.318 3.968 30 20 BHED C[C@H](C=NOCC1CC1)c1cccc(Cl)c1 814243573 DBSUGWPTZRDLNM-SNVBAGLBSA-N 237.730 3.856 30 20 BHED C1CCC2(C1)CCCC2=NN[C@H]1C[C@H]2CC[C@H]1C2 814893139 FORQBERSQNISHI-IHRRRGAJSA-N 246.398 3.865 30 20 BHED CC(C)ON=Cc1c[nH]c2cc(Cl)ccc12 835004774 ZYDNHHNNDKEUQJ-UHFFFAOYSA-N 236.702 3.580 30 20 BHED C=CCCCC(=O)Nc1cscc1Cl 874811052 CXQJCLACKXEKHU-UHFFFAOYSA-N 229.732 3.696 30 20 BHED C[C@@H](CCC#N)CNC(C)(C)c1ccc(F)cc1 877007338 MGBAVLRATJAYKR-LBPRGKRZSA-N 248.345 3.590 30 20 BHED C=CC(C)(C)CC(=O)N1CCCC(C)(C)CC1 878963151 YLNVWRWSLOFGFA-UHFFFAOYSA-N 237.387 3.627 30 20 BHED Cc1ccc(COc2cccc(C#N)c2)cc1F 1188522318 LVZVKUHDTNEZPZ-UHFFFAOYSA-N 241.265 3.585 30 20 BHED C#CCCN[C@@H](c1cccc(F)c1)C(C)(C)C 1321102935 BRIIVRBOYLAKBV-AWEZNQCLSA-N 233.330 3.526 30 20 BHED Cc1ccc(OCc2ccc(C#N)cc2)c(C)c1 11834245 HNGMDXPAWRBSDK-UHFFFAOYSA-N 237.302 3.754 30 20 BHED C[C@@H](Nc1cccc(C#N)c1)c1cccc(C#N)c1 37203285 LWENEXLAHAPIOM-GFCCVEGCSA-N 247.301 3.603 30 20 BHED C=C(C)CNc1ccccc1C(F)(F)F 51753250 CGGAZJKJOUAVIN-UHFFFAOYSA-N 215.218 3.693 30 20 BHED C=CCN(Cc1c(F)cccc1Cl)C1CC1 53143406 CXNHJUGGENENMJ-UHFFFAOYSA-N 239.721 3.630 30 20 BHED C=CCNc1ccc(SC(F)F)cc1 75825212 SYKZQYYISRWLSZ-UHFFFAOYSA-N 215.268 3.599 30 20 BHED Cc1ccc(NCc2cc(C#N)cs2)c(F)c1 93685556 IVNZIDORJBAUAL-UHFFFAOYSA-N 246.310 3.679 30 20 BHED C=CCCCN1CCC[C@@H]1c1ccsc1 117873267 AHKLXZZTCXBYQD-CYBMUJFWSA-N 221.369 3.851 30 20 BHED C[C@H]1CCC[C@@H](N(C)Cc2ccc(C#N)s2)C1 130662454 JDBKZHLCFACJGQ-NWDGAFQWSA-N 248.395 3.630 30 20 BHED Cc1ccc(C#N)c(Oc2ccc(F)c(C)c2)n1 135346501 ADEZWYQDXQCTGS-UHFFFAOYSA-N 242.253 3.502 30 20 BHED C#CCCCCNC(=O)[C@@H](C)CC1CCCCC1 156554536 UMQKMFBAZLNSKP-AWEZNQCLSA-N 249.398 3.513 30 20 BHED C=CC[C@H](C)N[C@H](C)c1sccc1C 161679503 XXAIPBBKVPFDHA-WDEREUQCSA-N 209.358 3.672 30 20 BHED CCCN(Cc1ccc(C#N)cc1)CC1CCC1 173526082 HJDGBOWNBMIAAQ-UHFFFAOYSA-N 242.366 3.570 30 20 BHED C=C(Cl)CN(CC)[C@H](C)c1cccc(O)c1 178372616 ZAFJYIQWHGTBEQ-LLVKDONJSA-N 239.746 3.528 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1cncc(C)c1 184432181 LXXWAAPHMAUXGO-KGLIPLIRSA-N 232.371 3.785 30 20 BHED Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)c(F)c1 185732654 BWOXIGBTQWWLLY-NEPJUHHUSA-N 232.302 3.628 30 20 BHED C=C[C@](C)(CC)c1nc(Cc2ccccc2)no1 191161824 OPSFBQAWTHIIIQ-OAHLLOKOSA-N 242.322 3.514 30 20 BHED C=C(CC)COc1ccc(C#N)c(Cl)c1 218842990 DRDPQNWERIKXJN-UHFFFAOYSA-N 221.687 3.557 30 20 BHED CC(C)(C#N)CCCCOc1ccccc1C=O 232521973 WCUBBYVIJQSZNN-UHFFFAOYSA-N 245.322 3.598 30 20 BHED C=CCN(Cc1ccco1)Cc1cccs1 248008355 QDCBREHVWGDNPX-UHFFFAOYSA-N 233.336 3.529 30 20 BHED C=CCC(CC=C)C(=O)N1[C@@H](C)CC[C@@H]1CC 271429542 MSRUFDWRMBGFLL-JSGCOSHPSA-N 235.371 3.544 30 20 BHED CSc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1 298613880 UEGBYGGVOZFKSF-RYUDHWBXSA-N 248.395 3.751 30 20 BHED C#C[C@@H](NCc1ccc(Cl)s1)C(C)(C)C 309024432 ZAWVJURCQFNHLH-SNVBAGLBSA-N 241.787 3.539 30 20 BHED C=CCC[C@@H](NCC1(C#N)CC1)c1ccccc1 343561549 IOWVEJLEEUCHNO-OAHLLOKOSA-N 240.350 3.587 30 20 BHED C=CCCCC(=O)Nc1ccc(COCC)cc1 359528921 DNCQRGZAHGSJBQ-UHFFFAOYSA-N 247.338 3.518 30 20 BHED CCCCCCCNCc1csc(CC)n1 381573123 YKIMPZXVSJSCNT-UHFFFAOYSA-N 240.416 3.766 30 20 BHED CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C)cc1 424331190 RUAUFCHUXIJFII-NUEKZKHPSA-N 242.366 3.728 30 20 BHED C=CCCCCCn1ccnc1[C@@H](C)OCC 447304538 WKIFGNMILCDHTR-CYBMUJFWSA-N 236.359 3.727 30 20 BHED C=CCCC[C@H](C)NC1CCC(C)(C#N)CC1 449251438 OBFCAOSFCAKDKN-NFOMZHRRSA-N 234.387 3.793 30 20 BHED C=CCC[C@H](CCC)N[C@H](CC)C(F)F 449364001 QUWXGJUYYKOZGI-WDEREUQCSA-N 219.319 3.755 30 20 BHED C=C(C)CCN[C@H](C)C(C)(C)c1ccccc1 508977440 NHILZJLLJCJICF-CQSZACIVSA-N 231.383 3.909 30 20 BHED N#Cc1cccc(SCC2CCCCC2)n1 534397286 SZZDRYVYSYPYJH-UHFFFAOYSA-N 232.352 3.626 30 20 BHED C=CCCC(=O)N1CCC(C)(CC(C)C)CC1 582458298 FQBOXRLJAJSMHH-UHFFFAOYSA-N 237.387 3.627 30 20 BHED CC(C)(C)C(C)(C)CN[C@@H]1CCC[C@H](C#N)C1 590255443 KAFGBUFJVMCBKJ-QWHCGFSZSA-N 236.403 3.731 30 20 BHED N#C[C@H](Sc1ccc2ccccc2n1)C1CC1 601070691 QGQYOGNGYUYXMR-ZDUSSCGKSA-N 240.331 3.629 30 20 BHED N#Cc1ccc(S[C@@H]2C=CCCC2)c(F)c1 610219672 FVZIOLJELWLLDI-LLVKDONJSA-N 233.311 3.898 30 20 BHED C=CCCC(C)(C)NC(=O)C[C@@H]1CC[C@@H](C)C1 620858625 LSSOXLHBIBYBAU-CHWSQXEVSA-N 237.387 3.674 30 20 BHED C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCC(C)(C)C1 695816856 PJAXLWRGMZLWLA-QWHCGFSZSA-N 236.403 3.873 30 20 BHED Cc1cccc(NN=Cc2cc(C)ccc2F)c1 734976630 IABUUDXTPPVUID-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C=CCCC(=O)O[C@@H](CC)c1cccc(OC)c1 741133999 NXQFWXDRJMAHJC-AWEZNQCLSA-N 248.322 3.656 30 20 BHED CCCCCCCCOC(=O)C1CC(F)(F)C1 753806208 VQVQUNPULKHTKH-UHFFFAOYSA-N 248.313 3.935 30 20 BHED Cc1ccc(F)c(NN=Cc2ccsc2)c1 759652928 MPFGICLZSLYAQU-UHFFFAOYSA-N 234.299 3.642 30 20 BHED C#CCCNc1ccc(CCC(F)(F)F)cc1 760304562 OQLUCPVWOUUIAD-UHFFFAOYSA-N 241.256 3.617 30 20 BHED C#CCCCCC(=O)OCc1ccc(C)cc1C 770998692 RAGKJLYOJZCIBY-UHFFFAOYSA-N 244.334 3.540 30 20 BHED C=CCSCc1ccc(N(C)CC)cc1 773438154 DMXWIFSIRNLWQM-UHFFFAOYSA-N 221.369 3.562 30 20 BHED CCCC(CC)=NNc1ccc(Cl)nc1 776186830 VCPMNMBSUPGYJS-UHFFFAOYSA-N 225.723 3.713 30 20 BHED Cc1ccc(C=NN[C@H]2CCCC2(C)C)s1 782298882 DHTXHKOIJUIPKS-LBPRGKRZSA-N 236.384 3.559 30 20 BHED C=C[C@](C)(CC)C(=O)Oc1ccc(C)cc1 785469474 MUJBHNHHFGVEKU-CQSZACIVSA-N 218.296 3.503 30 20 BHED CC[C@H](C)CON=Cc1cccc2[nH]ccc12 793163322 IVXZZTNPZVAYAX-NSHDSACASA-N 230.311 3.565 30 20 BHED CC[C@@H]1CCC[C@H](C=NOC/C=C\Cl)C1 811671802 XFXSQUXBPHCIOB-HHONIBIXSA-N 229.751 3.958 30 20 BHED Cc1oc2ccccc2c1C=NOC1CCC1 812235137 MPUUCLQKUJGTPS-UHFFFAOYSA-N 229.279 3.644 30 20 BHED CCc1ccc(CCC=NOC2CCC2)cc1 812236065 VIWOHWCEVIXNOI-UHFFFAOYSA-N 231.339 3.737 30 20 BHED Cc1ccc(C)c(NN=C2CCS[C@@H]2C)c1 814753767 ZFBKHFMXXNZEMR-LLVKDONJSA-N 234.368 3.597 30 20 BHED CC(C)CCC=NNc1cc(Cl)ccn1 814898905 WXFLZJJFMQNZLH-UHFFFAOYSA-N 225.723 3.569 30 20 BHED COCC(CC(C)(C)C)=NNc1ccccc1 844563958 UYPWRJTUGKZRHY-UHFFFAOYSA-N 234.343 3.537 30 20 BHED CCCCCCCCn1cc(C2CC2)nn1 853738228 RPEWAVCXTSYSMD-UHFFFAOYSA-N 221.348 3.516 30 20 BHED C#CCCCCCCNC(C)(C)CC(F)(F)F 877461005 VWBSCSCEHOVKMR-UHFFFAOYSA-N 249.320 3.891 30 20 BHED C=C[C@](C)(CC)C(=O)N1CC[C@H]2CCCC[C@H]2C1 1338724905 WVYBXAFFMYJRKV-IJEWVQPXSA-N 249.398 3.627 30 20 BHED C=C(CC)C(=O)Nc1cccc(SC)c1C 1346510460 ZJZZHCATMIHMID-UHFFFAOYSA-N 235.352 3.622 30 20 BHED Cc1cc(C#N)ccc1CN(C)c1ccsc1 1643633524 RXMSRYXLYMEZSG-UHFFFAOYSA-N 242.347 3.565 30 20 BHED CCC[C@@H](CC)Sc1cc(C)c(C#N)cn1 1651036572 HXNIGQVWHNQJPC-GFCCVEGCSA-N 234.368 3.933 30 20 BHED CCCCc1ccc(NC(=O)[C@H](C#N)CC)cc1 44822605 JZDYZUJGHZLOTH-ZDUSSCGKSA-N 244.338 3.517 30 20 BHED Cc1cccc(CNc2ccc(F)c(C#N)c2)c1 51635085 YDZWVOPTQVZTTE-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=CCCCCCN(C)CC(C)(C)CCC#N 93498100 KXHDAUIBYSZHCT-UHFFFAOYSA-N 236.403 3.995 30 20 BHED C[C@H](N[C@H](C)c1ccoc1)c1ccc(C#N)cc1 94868166 RIFUFALGCHKJJB-NWDGAFQWSA-N 240.306 3.563 30 20 BHED CCCCN(CCC#N)[C@@H](C)c1ccccc1 123366884 NVWFIDNWEXIPKI-AWEZNQCLSA-N 230.355 3.763 30 20 BHED C=CCCCC[C@H](C)NCc1scnc1C 131932862 RLQQGGCNHLJTPI-NSHDSACASA-N 238.400 3.676 30 20 BHED C=CC[C@@H](C)NC(=O)C[C@H](C)CCCCC 173537545 QGRUMBGDZUANCS-CHWSQXEVSA-N 225.376 3.674 30 20 BHED C=CCCCc1nc(-c2ccccc2Cl)no1 178407388 RREGBASIGSRQLN-UHFFFAOYSA-N 248.713 3.899 30 20 BHED C=CCCCN[C@@H](C)[C@@H](C)c1ccccc1 183373521 GDGUYOBFPSQPOW-KGLIPLIRSA-N 217.356 3.734 30 20 BHED CC#CCCCC(=O)N1CCCC[C@@H]1CC(C)C 186025333 VMMPVPCJCODISE-OAHLLOKOSA-N 249.398 3.607 30 20 BHED CCCN(Cc1ccc(C#N)cc1)C[C@@H](C)CC 215665027 GBGRIWJFKZYKAW-AWEZNQCLSA-N 244.382 3.816 30 20 BHED CC1(C)C[C@@H]1CNc1cc(Cl)ccc1C#N 227652209 PTKVCDWVYAPUDI-SNVBAGLBSA-N 234.730 3.670 30 20 BHED CC(C)(C#N)CCCON=Cc1ccccc1F 255303085 JEOQHGUODDGTQZ-UHFFFAOYSA-N 248.301 3.506 30 20 BHED Cc1cc(/C=C\C(=O)c2occc2C)ccc1F 255569953 GUUAHPQVYPRYTJ-XQRVVYSFSA-N 244.265 3.932 30 20 BHED CC#CCSc1ccc(Br)cc1 303799266 AKNZBHWFYNPOBA-UHFFFAOYSA-N 241.153 3.565 30 20 BHED C=C(Cl)CN(CCCCC)C(C)C 308233312 PUHUIUFIUGJRAT-UHFFFAOYSA-N 203.757 3.640 30 20 BHED C#CCCCN[C@H](C)c1c(F)cccc1Cl 309343405 XUVRDZHTDZMTSG-SNVBAGLBSA-N 239.721 3.543 30 20 BHED CC[C@@H](CC#N)NC1CCC(C)(CC)CC1 310019649 MOKCBUNEGSVEES-HSBZDZAISA-N 222.376 3.627 30 20 BHED C=CCCN(C)C(=O)c1ccc2sccc2c1 342489944 NWBHTEBBYLCOHJ-UHFFFAOYSA-N 245.347 3.549 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc(Cl)cc1OC 421832895 GSGFKZFMLFXZOY-VHSXEESVSA-N 239.746 3.574 30 20 BHED C=C(C)C(C)(C)C(=O)NC(C1CCC1)C1CCC1 424855859 UDUQZCNYJYQXMA-UHFFFAOYSA-N 249.398 3.674 30 20 BHED CC[C@@H]1CCCC[C@H]1N(C)CC1(C#N)CCC1 450814211 XZBWWVJSYZZFLI-ZIAGYGMSSA-N 234.387 3.581 30 20 BHED C=CC(C)(C)CN[C@H](CC(C)C)c1ccccn1 453305101 GZMPAEYPEBKYCJ-OAHLLOKOSA-N 246.398 3.971 30 20 BHED CCC(CC)SCc1ccccc1C#N 519964565 NAYCUHZVCUDDAW-UHFFFAOYSA-N 219.353 3.980 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@H](C)c1ccncc1CC 539214599 QXIBLGKRIDGSEW-MELADBBJSA-N 246.398 3.895 30 20 BHED C=CCCC[C@H](C)NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 540539217 VBXYOZJNSIXFED-AJNGGQMLSA-N 249.398 3.674 30 20 BHED C=CCC[C@H](C)NCCC1C[C@@H](C)O[C@H](C)C1 555226202 UEVYWXNEEZXGGR-BFHYXJOUSA-N 239.403 3.524 30 20 BHED C=CCCCCSC[C@H]1C[C@H]2CC[C@H]1O2 565763923 UVJYRGZAVJYTLN-JHJVBQTASA-N 226.385 3.643 30 20 BHED CC(C)N(CCC#N)C[C@H](C)c1ccc(F)cc1 575862307 LEKWIRCQPGCDKD-ZDUSSCGKSA-N 248.345 3.553 30 20 BHED C=CCCCCOc1ccc(CC(C)=O)cc1 580541387 UIXFKWNDBGMCBT-UHFFFAOYSA-N 232.323 3.553 30 20 BHED C=C(C)CN(C)[C@@H](C)c1ccc(C)cc1C 615464174 TXBDYRXNAHAITK-AWEZNQCLSA-N 217.356 3.872 30 20 BHED CC(CCc1ccc(F)cc1)=NNC1CCCC1 727651630 JEASNFARAUFALD-UHFFFAOYSA-N 248.345 3.666 30 20 BHED CCC(CC)NN=Cc1ccccc1OC(C)C 734365404 ZBKOFIUCEYRLEX-UHFFFAOYSA-N 248.370 3.586 30 20 BHED Cc1ccsc1/C=C1\Oc2ccccc2C1=O 742438190 ZXIVKXIMIYMXAH-WQLSENKSSA-N 242.299 3.673 30 20 BHED C=CC[C@H](N[C@@H]1CCCC[C@H]1C)c1ccncc1 766018159 GEUHSJGYTPXPEI-BMFZPTHFSA-N 244.382 3.867 30 20 BHED CC(C[C@H](C)CC(C)C)=NO[C@@H]1CCCCO1 779784541 QDWFJEHDJWWWOS-TZMCWYRMSA-N 241.375 3.978 30 20 BHED CCCCCCCCOC(=O)C1(SC)CC1 789198949 JPZDMXGDCVFONI-UHFFFAOYSA-N 244.400 3.786 30 20 BHED C=CCCC(CC)=NNCC1(C)CCCC1 793081926 PLDRCTDAANEZFD-UHFFFAOYSA-N 222.376 3.889 30 20 BHED Clc1ccc(C=NOC2CCC2)cc1Cl 812237865 GIQNYLNBDUZGDN-UHFFFAOYSA-N 244.121 3.896 30 20 BHED C[C@H]1C[C@H]1c1ccc(C=NOCCC2CC2)o1 814246733 CUTLDUDYQWGEOT-GXFFZTMASA-N 233.311 3.554 30 20 BHED C[C@@H](CCc1ccco1)N[C@@H](C)CC(C)(C)C#N 829178261 DGKZJAWQCLQVAD-STQMWFEESA-N 248.370 3.519 30 20 BHED CC[C@@H](N[C@H]1CC=CCC1)c1cccc(C#N)c1 902872393 ZRFFIPSKGSCYBU-JKSUJKDBSA-N 240.350 3.708 30 20 BHED CCc1ccc(C/N=C/c2ccccc2O)s1 915979146 LXELYMRRETWWPM-OQLLNIDSSA-N 245.347 3.635 30 20 BHED C=C(Cl)CN(CC)c1cccc(C)c1F 1620521868 SRJQSDUEWLTCIP-UHFFFAOYSA-N 227.710 3.713 30 20 BHED CC(C)CC[C@H]1CCC[C@@H]1NCC1(C#N)CCC1 1665027418 LSYMNTCZRSNDSP-CABCVRRESA-N 248.414 3.875 30 20 BHED N#CCCCSc1ccc2c(c1)CCC2 34938246 VHSOLLSVPHGHNC-UHFFFAOYSA-N 217.337 3.571 30 20 BHED C[C@H](Nc1cccc(OCC#N)c1)C1CCCC1 54079521 HCXHNMUMCHHSMR-LBPRGKRZSA-N 244.338 3.580 30 20 BHED C=CCCCNc1cccc(OC(F)(F)F)c1 71275379 RWWOWPUGPJCWQY-UHFFFAOYSA-N 245.244 3.963 30 20 BHED Cc1ccc(C#N)cc1NCCc1cccs1 111451761 RVGXITHERACQOJ-UHFFFAOYSA-N 242.347 3.583 30 20 BHED C=CC[C@@H](C)NCc1ccc(N(CC)CC)cc1 134749840 MFYBYVISFRVRFS-CQSZACIVSA-N 246.398 3.587 30 20 BHED CCCCCCCS(=O)(=O)C1CCCCC1 151973802 LLOZTZWWNGPDFD-UHFFFAOYSA-N 246.416 3.704 30 20 BHED C=CCCN[C@H](C)c1ccc(C)cc1C 162195260 HYESGBYQVOTTFN-CYBMUJFWSA-N 203.329 3.530 30 20 BHED Cc1cc(C#N)ccc1CN1CCCCCCC1 165435911 VZEYQZOITMGTQQ-UHFFFAOYSA-N 242.366 3.633 30 20 BHED C=C(C)CSCc1cc(C#N)ccc1F 177871984 OKLKNAZQFXVXRS-UHFFFAOYSA-N 221.300 3.507 30 20 BHED CSc1ccccc1N[C@@H]1CCC[C@H](C#N)C1 185735735 SHJOJFVTRIEETC-NWDGAFQWSA-N 246.379 3.903 30 20 BHED C[C@@H]1CCCC[C@@H]1Nc1cc(F)cc(C#N)c1 227605744 VFMLLRAJLKPQGG-YGRLFVJLSA-N 232.302 3.688 30 20 BHED CC(C)CC[C@H](C)NCC(C)(C)CCC#N 229670853 GNXUBKDONYEJIJ-ZDUSSCGKSA-N 224.392 3.731 30 20 BHED N#Cc1cccc(C#N)c1NC1CCCCCC1 302435829 MDRCXLKVAASQPT-UHFFFAOYSA-N 239.322 3.565 30 20 BHED CCCCC/N=C(/N)Nc1cccc(C(C)C)c1 303720520 WQEBFCLPLZDRMW-UHFFFAOYSA-N 247.386 3.727 30 20 BHED C=CCCNc1cc(SC)ccc1C 308764607 ZTRIJZGAZBUGDO-UHFFFAOYSA-N 207.342 3.705 30 20 BHED C#CCCCNc1cc(C)c(F)cc1Cl 308824467 KNWYGRWVEDBAGE-UHFFFAOYSA-N 225.694 3.613 30 20 BHED C=C(C)CCN[C@H](C)c1cc(F)ccc1F 309550211 HYWNCRMXJXCFMH-SNVBAGLBSA-N 225.282 3.582 30 20 BHED CC1(CCNc2ccc(C#N)c(Cl)c2)CC1 309781344 MZNVIKFCDOBGMT-UHFFFAOYSA-N 234.730 3.814 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccc(CC)o1 310005527 GNUVEMZMJVCRDG-VXGBXAGGSA-N 221.344 3.847 30 20 BHED C=CCCN(C1CC1)[C@@H]1CCc2ccccc21 338545038 GIBKTDRUZROIQV-MRXNPFEDSA-N 227.351 3.714 30 20 BHED Cc1cnccc1SCc1ccccc1C#N 338618790 MJXXFFPPTWOYTM-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C[C@@H](CC#N)N(C)CCCC1CCCCC1 347768852 HJUKXMOGLMOOHK-ZDUSSCGKSA-N 222.376 3.581 30 20 BHED C=CCC[C@H](NCC(C)(C)CC=C)C1CC1 382145314 NQWIFUCHXUUYHG-AWEZNQCLSA-N 221.388 3.923 30 20 BHED C=C(C)CCNc1c(OC)cccc1SC 417072678 IZKCYLPBEBEXNE-UHFFFAOYSA-N 237.368 3.795 30 20 BHED C=CCC(C)(C)C(=O)N1CC[C@H](C2CCCC2)C1 421647013 RVGQLVSDWRFMNK-AWEZNQCLSA-N 249.398 3.627 30 20 BHED C=C[C@H]1CCCCN1Cc1cc(Cl)cs1 426573734 PIKMDJSACDNUQV-NSHDSACASA-N 241.787 3.942 30 20 BHED C=CC[C@@H](C)[C@@H](C)Nc1ccc(F)c(OC)c1 437063157 FKRRUTKRYSADHS-GHMZBOCLSA-N 237.318 3.847 30 20 BHED N#C[C@H]1CC[C@H](Nc2cccc3c2CCCC3)C1 442855960 QQBWMAREOHXAAH-JSGCOSHPSA-N 240.350 3.670 30 20 BHED C=C(C)CN(C)Cc1ccc(C)c(Cl)c1 446819522 UDZFTKZXSFOSHX-UHFFFAOYSA-N 223.747 3.656 30 20 BHED CC1(C#N)CCC(NCC23CCC(CC2)C3)CC1 449200592 CHVUZLWKQCTSAJ-UHFFFAOYSA-N 246.398 3.629 30 20 BHED C=C(CC)CNC(=O)[C@@H](CCC)CC(C)C 453017102 NHBLCLRSUQWOOY-ZDUSSCGKSA-N 225.376 3.531 30 20 BHED C=C[C@H](C)NC(=O)[C@H](c1ccccc1)[C@@H](C)CC 465152326 SQIBOYHBYCBIBJ-YDHLFZDLSA-N 245.366 3.507 30 20 BHED C=CCC[C@H](C)N[C@H]1CCCO[C@@H]1CC(C)C 480748806 IUKYSXONYHJXDO-SOUVJXGZSA-N 239.403 3.524 30 20 BHED C=CCN(C)[C@H](c1ccccc1C)C(C)C 488739153 KLTSZAXNKWMURL-HNNXBMFYSA-N 217.356 3.810 30 20 BHED C=CCC(C)(C)C(=O)N1CCCCC(C)(C)C1 504559103 NWCCLDKCCCITBF-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CCOc1cccc(CNCCC(C)(C)C)c1 517541203 WEMKKMMVKMAARM-UHFFFAOYSA-N 247.382 3.777 30 20 BHED C=CC[C@H](C)[C@H](C)NCCCC(C)(C)COC 558257586 MRJCBRTYJIIOGT-KBPBESRZSA-N 241.419 3.630 30 20 BHED C=CCCCCNC(=O)c1cccc(C2CC2)c1 578245655 VLBRVBGOCITHLZ-UHFFFAOYSA-N 243.350 3.650 30 20 BHED C=CCC(C)(C)C(=O)N1CC(C2CCCCC2)C1 583044262 DUAZPFMKLDQATD-UHFFFAOYSA-N 249.398 3.627 30 20 BHED CC(C)CC[C@@H](C)NCCc1ccc(C#N)cc1 595062986 YPWNSRWHNPEYKS-CQSZACIVSA-N 244.382 3.515 30 20 BHED CC(C)=CCCN(C)[C@H](C)c1cccc(C#N)c1 595549729 LQXNONMRPDUDGX-CQSZACIVSA-N 242.366 3.907 30 20 BHED C[C@@H](CCC#N)CN1CCC[C@H]1C1CCCC1 602448633 JVGRDXZYFDZFTH-ZFWWWQNUSA-N 234.387 3.581 30 20 BHED N#CCC1(CN2CCC[C@@H]2c2cccs2)CC1 602757224 SJSMGTGTMWMZDP-GFCCVEGCSA-N 246.379 3.579 30 20 BHED C=CC[C@H]1CCCN(C(=O)C2(C)CCCCC2)C1 617779934 KYYIXNBIUCGTBP-AWEZNQCLSA-N 249.398 3.772 30 20 BHED CC[C@H](C)C(C)=NNc1cccc(OC)c1 725853280 IIBLSCPGSDPTAS-JTQLQIEISA-N 220.316 3.529 30 20 BHED CCCCCCCC(=O)Nc1cnccc1C 729405141 YWDPQFBUPPUAQT-UHFFFAOYSA-N 234.343 3.689 30 20 BHED CC(C)C1CCC(=NNc2ccccn2)CC1 729635909 RSDJKSYJNNEDTO-UHFFFAOYSA-N 231.343 3.696 30 20 BHED C#CCN1CCCCC[C@H]1c1cccc(C)c1 735494592 FPLRIXFBNSINMZ-INIZCTEOSA-N 227.351 3.545 30 20 BHED CCCCCn1ccc(-c2ccc(C#N)cc2)n1 766742031 PJISSMKSVSYTFU-UHFFFAOYSA-N 239.322 3.612 30 20 BHED CC(=NNc1cc(C)cc(C)c1)c1cscn1 767895687 AEHQTUJYROIXJE-UHFFFAOYSA-N 245.351 3.596 30 20 BHED CC1(C)CCC(=NOCCC(F)(F)F)C1 777458052 DNWQWXXEQRYKCM-UHFFFAOYSA-N 223.238 3.522 30 20 BHED Cc1cc(C=NOCCC2CC2)c(C)s1 814247228 XCXBLBWUNVASNY-UHFFFAOYSA-N 223.341 3.516 30 20 BHED CSCCON=C1CC[C@@H](c2ccccc2)C1 814922166 XERNRWIWCBXDGK-CYBMUJFWSA-N 249.379 3.690 30 20 BHED CCC(=NOCc1ccccc1)C(C)C 839418539 ZHAXGPJDIISTTQ-UHFFFAOYSA-N 205.301 3.625 30 20 BHED N#C[C@H](Sc1nc2ccccc2s1)C1CC1 865341820 ZZTCJQLWCIMEHS-NSHDSACASA-N 246.360 3.691 30 20 BHED C=C1CCC(C(=O)N2[C@H](C)CCC2(C)C)CC1 891376860 CPLXUCUDPLVFCA-GFCCVEGCSA-N 235.371 3.522 30 20 BHED Cc1cc(C)cc(C=NOCc2ccccc2)c1 921257590 INPSLFJKRJKYFG-UHFFFAOYSA-N 239.318 3.854 30 20 BHED CC(C)CN(CCC1CC1)c1ccc(C#N)cc1 1307550817 ASYMLURSVQMJPR-UHFFFAOYSA-N 242.366 3.821 30 20 BHED C[C@@H]1CCC[C@@H](CSc2cccnc2C#N)C1 1641128148 BBYMQACBQXZLLZ-VXGBXAGGSA-N 246.379 3.872 30 20 BHED CC(CC(C)(C)C)=NNc1ccccc1C(=O)O 1776030855 YYXRVGHVVWFHQQ-UHFFFAOYSA-N 248.326 3.609 30 20 BHED Cc1ccccc1CSc1cccc(C#N)n1 81622547 NMCNBYMBZHHWFA-UHFFFAOYSA-N 240.331 3.554 30 20 BHED Cc1cccc(C(=O)/C=C/c2cccnc2)c1C 114992120 VOHSYBAFCNZVCC-CMDGGOBGSA-N 237.302 3.595 30 20 BHED C=CCCCSCCC(=O)Nc1ccccc1 117944660 GVSIYMMQJGYYDH-UHFFFAOYSA-N 249.379 3.715 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H](C)c1cccc(O)c1 126598881 KMQBAUXWVTXJRR-AVGNSLFASA-N 233.355 3.644 30 20 BHED C=CCC[C@H](C)N[C@@H]1CC[C@H](C)C[C@H]1C 126837011 RUSHHZIGJORLHB-RFQIPJPRSA-N 209.377 3.755 30 20 BHED C=C(C)CN[C@H]1CC2(CCC2)Oc2ccccc21 130777033 ZSJFURBREPXYRI-AWEZNQCLSA-N 243.350 3.599 30 20 BHED C[C@H]1CN(CCC(C)(C)C#N)c2ccccc21 131121411 WSBHQBXZLUIBFF-LBPRGKRZSA-N 228.339 3.550 30 20 BHED CCCCCSc1ccccc1C#N 143145005 NVZYZQNJYFFUKV-UHFFFAOYSA-N 205.326 3.841 30 20 BHED C(#Cc1cncc2ccccc12)c1ccccc1 143281237 CQRGDZDPCZYDJP-UHFFFAOYSA-N 229.282 3.635 30 20 BHED C=CCCN[C@H](CCC)c1cccc([N+](=O)[O-])c1 161721273 YNJPNDOIERJONB-CQSZACIVSA-N 248.326 3.602 30 20 BHED C=C(Cl)CN[C@H]1CC[C@H](C)c2ccccc21 161745573 BDGXJPAYENSEFH-HZMBPMFUSA-N 235.758 3.967 30 20 BHED CC#CCCNC1CCC(C(C)(C)C)CC1 163416348 FBIORQWWKBXFOL-UHFFFAOYSA-N 221.388 3.594 30 20 BHED C=CCCN(C)[C@H](C)c1nc2ccccc2s1 172619692 KSMFJKUEJPMIDI-LLVKDONJSA-N 246.379 3.865 30 20 BHED C=CC[C@H](C)N[C@@H]1CCC[C@@H](C(C)C)C1 230997961 HROAADOLWJDUNP-BFHYXJOUSA-N 209.377 3.755 30 20 BHED N#CCCCN[C@@H](c1cccs1)C1CCCC1 271605696 AFPVVMMBJXZMAJ-CQSZACIVSA-N 248.395 3.873 30 20 BHED Cc1nc2ccccc2c(NCCCC#N)c1C 273358313 QGSKVAMLXUBESA-UHFFFAOYSA-N 239.322 3.567 30 20 BHED CCC(CC)Sc1nccc(C)c1C#N 343442123 SCPFIMPLENGKBI-UHFFFAOYSA-N 220.341 3.542 30 20 BHED C=C[C@H](C)NC(=O)c1csc2cc(C)ccc12 358894109 BBUSBJLANZRBKJ-JTQLQIEISA-N 245.347 3.514 30 20 BHED C#CCCCN[C@H]1CCC[C@@H]1CCC(C)C 381144137 NFLBTBXLWQMLNE-CABCVRRESA-N 221.388 3.594 30 20 BHED C=CC[C@H](C)[C@H](C)NC[C@@H]1CCC[C@@H]1C 389878285 MVQCYFRNIXGJJD-XUXIUFHCSA-N 209.377 3.613 30 20 BHED C=C(C)CSC[C@@H](Cc1ccccc1)OC 419414800 HCNXZRMTWPETQE-CQSZACIVSA-N 236.380 3.553 30 20 BHED CC[C@H](CS[C@H](C)c1cccc(C#N)c1)OC 419470447 YAHVAYDOXQPOEM-BXUZGUMPSA-N 249.379 3.777 30 20 BHED CC(C)[C@@H](NCC1(CC#N)CC1)c1ccccc1 430738478 ZEVMYDVSYJNNCJ-OAHLLOKOSA-N 242.366 3.667 30 20 BHED C=C(C)CCN[C@H]1CCCOc2ccc(F)cc21 453311524 GLCJHSGQOCVIQW-AWEZNQCLSA-N 249.329 3.595 30 20 BHED CC1=C(C)CN([C@@H](C)c2ccc(C#N)cc2)CC1 483351279 PNSPNSNQHZDZEU-AWEZNQCLSA-N 240.350 3.661 30 20 BHED CC#CCNc1cccc(COC(C)(C)C)c1C 538418527 KXAIGKYQKVJKBB-UHFFFAOYSA-N 245.366 3.745 30 20 BHED CC[C@H](C)n1cc(-c2ccc(F)c(C#N)c2)cn1 600781539 FHBIKNOTSCLDCK-JTQLQIEISA-N 243.285 3.532 30 20 BHED C=CCCN(C)C[C@H](C)c1cccc(Cl)c1 682436738 XQBTZTLLTDIKRY-LBPRGKRZSA-N 237.774 3.951 30 20 BHED C[C@@H]1C[C@H]1C=NOc1ccccc1C(F)(F)F 754711899 CYIBRZXGZVIIKL-BDAKNGLRSA-N 243.228 3.726 30 20 BHED C#CCCNc1ccc2nc(C(C)C)sc2c1 760290106 FATPPGLZYYQWMB-UHFFFAOYSA-N 244.363 3.855 30 20 BHED C(=NOCc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 762419847 XTIMBYITKCKQTL-SOUVJXGZSA-N 229.323 3.625 30 20 BHED CCCCCCCn1nccc1-c1cccnc1 764548059 QDVUBMJSIFVEPU-UHFFFAOYSA-N 243.354 3.916 30 20 BHED CCON=C(C)c1ccc2ccccc2c1 767461502 BYOWDWQPAZXYNQ-UHFFFAOYSA-N 213.280 3.600 30 20 BHED C[C@@H]1CCC[C@@H](C=NOC2CCCC2)C1 774604532 YKVSPCSJKJKUAJ-VXGBXAGGSA-N 209.333 3.758 30 20 BHED CC/C(C)=C(/C)C(=O)Nc1cccc(C#N)c1C 779988806 JNMREMOLPVZCRZ-KHPPLWFESA-N 242.322 3.552 30 20 BHED CCc1ccccc1NN=C(C)[C@@]1(C)CCCO1 782198325 BUXXDDAWXUCERT-OAHLLOKOSA-N 246.354 3.606 30 20 BHED C#CCCNc1ccc(-c2ccco2)cc1F 783301831 NRWLFFKMKAFSTD-UHFFFAOYSA-N 229.254 3.521 30 20 BHED FC(F)(F)[C@H]1CCCC(=NNC2CCCC2)C1 783512867 HNYQVLCUGZUUHT-VIFPVBQESA-N 248.292 3.627 30 20 BHED C[C@H]1CCCC[C@H]1C=NNCc1ccccc1 783813454 LRWYHTOCRQVTQL-ZFWWWQNUSA-N 230.355 3.588 30 20 BHED CC[C@@H](C)NN=C(C)[C@H](C)c1ccc(OC)cc1 790188290 ILFIWCAVSBQWDV-NEPJUHHUSA-N 248.370 3.563 30 20 BHED C#C[C@@H](CCC)NC(=O)C(C)(C)C1CCCCC1 791743255 NIGPHUXASDPETF-AWEZNQCLSA-N 249.398 3.511 30 20 BHED FCC[C@@H]1CCCC1=NNc1cccc(F)c1 794901214 KCSLCRQVGXKGGU-JTQLQIEISA-N 238.281 3.753 30 20 BHED CC(C)n1nccc1/C=C1/CCCC(C)(C)C1=O 794941166 JPFJLWFTLQATIE-BENRWUELSA-N 246.354 3.627 30 20 BHED CCC(CC)NN=C1CCC(C(F)F)CC1 799480767 VHSDIVIIDYSJTI-UHFFFAOYSA-N 232.318 3.576 30 20 BHED CC[C@@H]1CCC1=NNc1cc(C)cc(C)c1 807955385 VROKOPNUSXLBFA-GFCCVEGCSA-N 216.328 3.891 30 20 BHED CC[C@@H](C)CC=NNc1cc(Cl)ccn1 834970602 NPZTURIHMYYTRW-SECBINFHSA-N 225.723 3.569 30 20 BHED COC1(C(C)=NNc2cc(C)ccc2C)CCC1 853276012 UYHIDTCSJQZMID-UHFFFAOYSA-N 246.354 3.660 30 20 BHED CC(=NNc1cc(F)ccc1C)C1CCC1 853394106 XZZMDHRPBHXFRB-UHFFFAOYSA-N 220.291 3.722 30 20 BHED Cc1cccc(NN=C2CCCCCCC2)n1 863161306 BXYPEMLQFVWHLR-UHFFFAOYSA-N 231.343 3.902 30 20 BHED C=CC(C)(C)CC(=O)Nc1cccc(C)c1C 877916064 WISDXHVRCGYDJX-UHFFFAOYSA-N 231.339 3.844 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1c(O)cccc1F 886605191 LMPGSBMFEQKUML-MNOVXSKESA-N 237.318 3.537 30 20 BHED C=C(C)COC(=O)[C@H](CCC)c1ccccc1 916595027 KLZFJUHFXQYCRR-CQSZACIVSA-N 232.323 3.690 30 20 BHED CCCCCCCCNc1cccc(CC#N)n1 1320363617 FISCMKPBADFUID-UHFFFAOYSA-N 245.370 3.920 30 20 BHED CCc1csc(Oc2ccc(C#N)cc2C)n1 1472679585 XAOUDPMMIFXDPW-UHFFFAOYSA-N 244.319 3.678 30 20 BHED CCCC[C@@H](CC)CN1CCC[C@@](C)(C#N)C1 1559671439 PSWLEHXAZHSESI-CABCVRRESA-N 236.403 3.828 30 20 BHED CCC[C@H](C)Nc1ccc(C#N)c(Cl)c1 37393187 ROELGIQEQDPJHA-VIFPVBQESA-N 222.719 3.812 30 20 BHED CC(C)CSc1nc2c(cc1C#N)CCCC2 49942901 IENIUTKLAGVSQJ-UHFFFAOYSA-N 246.379 3.580 30 20 BHED CCCCCCCCNc1cccc(CO)c1 59451582 SIEWKIFNSLWHRD-UHFFFAOYSA-N 235.371 3.951 30 20 BHED Cc1cscc1CNc1ccc(C#N)cc1 87309592 XOWOXJUSIFWJAZ-UHFFFAOYSA-N 228.320 3.540 30 20 BHED CN(CC1(CC#N)CC1)C1CCC(C)(C)CC1 94859585 GOXZGMVVMCTKQP-UHFFFAOYSA-N 234.387 3.581 30 20 BHED C=CC[C@@H](C)NC(=O)[C@@H](CC)CC1CCCC1 116855084 METULEWCWQTKSP-OCCSQVGLSA-N 237.387 3.674 30 20 BHED CC(C)N(CCC(C)(C)C#N)C1CCCC1 119621908 DGFNXMFCNDPUKG-UHFFFAOYSA-N 222.376 3.579 30 20 BHED CC[C@H](C#N)SC1=Nc2ccccc2CS1 127339834 PQDYJRNXIBQQHW-SNVBAGLBSA-N 248.376 3.956 30 20 BHED C=CCCCC[C@H](C)NCc1occc1C 131929853 VWERLSIQFIIRDN-ZDUSSCGKSA-N 221.344 3.813 30 20 BHED C=CCN(CC=C)C(=O)CC1(C)CCCCC1 163928566 OJOZHBXPGOVFPN-UHFFFAOYSA-N 235.371 3.548 30 20 BHED Cc1cc(/C=C/c2ccc(C#N)cn2)ccc1F 171510802 SOTZAXDNZSWTSV-GORDUTHDSA-N 238.265 3.571 30 20 BHED C=CCN(CC=C)C(=O)C1CCCCCCC1 172742475 HCXLVIPVCRITHD-UHFFFAOYSA-N 235.371 3.548 30 20 BHED CC(C)(C)CN(CCC#N)C/C(Cl)=C/Cl 173214987 ZJJZUDRDQGKXHA-YFHOEESVSA-N 249.185 3.567 30 20 BHED C=CCCCC(=O)N1CCC[C@H]1CCC(C)C 178103556 WYKXDCGYBQSNRC-AWEZNQCLSA-N 237.387 3.770 30 20 BHED C=CCC[C@H](Nc1cccc(COC)c1)C1CC1 179741907 LVIWESZKUPURDE-INIZCTEOSA-N 245.366 3.990 30 20 BHED CCCCCCCCCC[C@H](C)NC(N)=O 225689158 BRYOYFKBLAASPH-LBPRGKRZSA-N 228.380 3.574 30 20 BHED C=CCCC(=O)N(CC)c1cccc(Cl)c1 263679407 OEZQJFKNVKOCHX-UHFFFAOYSA-N 237.730 3.659 30 20 BHED C=CC[C@@H](C)N[C@@H](CC)c1ccc(C#N)cc1 278851967 VQFIWNKNAGEZNC-DOMZBBRYSA-N 228.339 3.564 30 20 BHED C=CCCC[C@@H](C)Nc1nc2ccccc2o1 302034783 UFYJQLWDNWCUIY-LLVKDONJSA-N 230.311 3.985 30 20 BHED C=CC[C@H](CC)Nc1nc(C(C)(C)C)ns1 310005445 GLOIPEXMBUMNTO-VIFPVBQESA-N 239.388 3.602 30 20 BHED C=CC[C@@H](CC)NCc1nc(CCC)cs1 336780860 SIMGBLGQKCSBCO-LLVKDONJSA-N 238.400 3.540 30 20 BHED C[C@@H]1CC(C)(C)CC[C@H]1Nc1cc(C#N)ccn1 342792100 SRVGLUFVUSHAAJ-DGCLKSJQSA-N 243.354 3.580 30 20 BHED C[C@@H]1CN(CC(C)(C)CCC#N)CC(C)(C)C1 346339314 SBBIHILLRCLRRB-ZDUSSCGKSA-N 236.403 3.684 30 20 BHED C=C(C)CCc1noc(C(F)=C2CCCC2)n1 349711449 PMFCKGTWGFZENC-UHFFFAOYSA-N 236.290 3.833 30 20 BHED CCN(Cc1ccc(C#N)cc1F)[C@H](C)C(C)C 352804452 QEGDATFRBBBIRU-GFCCVEGCSA-N 248.345 3.564 30 20 BHED C=CCCC1(C(=O)N(C)[C@@H]2CCC(C)(C)C2)CC1 362188441 HLONYIMCGDLXEL-CYBMUJFWSA-N 249.398 3.770 30 20 BHED C=C1CCN(Cc2cc(F)cc(Cl)c2)CC1 362514193 XXXSTWWPSGXXQM-UHFFFAOYSA-N 239.721 3.631 30 20 BHED C=CCCCC[C@H](C)NC[C@@H]1C[C@@H](C)O[C@H]1C 414264108 QDOJQCBJIMGRTQ-XGUBFFRZSA-N 239.403 3.524 30 20 BHED C=C(C)C(C)(C)C(=O)N1CCCC2(CCCC2)C1 424795688 GPFOHGZKZSIQKA-UHFFFAOYSA-N 249.398 3.772 30 20 BHED Cc1ccc([C@H](C)NCC2(CC#N)CC2)c(C)c1 430761346 LRIBRBQSUMNIAJ-AWEZNQCLSA-N 242.366 3.648 30 20 BHED CC(C)(C)CSCCOc1cccc(C#N)c1 440594584 LVTVQPHMRUEDMQ-UHFFFAOYSA-N 249.379 3.716 30 20 BHED C=C(C)CCNCC1CCC(C(F)(F)F)CC1 449475595 LRSWGRVDJCWNKB-UHFFFAOYSA-N 249.320 3.911 30 20 BHED C=CCC1(C(=O)N2CC[C@](C)(CC)C2)CCCC1 450099727 GCDQYMAIPVUQQS-HNNXBMFYSA-N 249.398 3.772 30 20 BHED C=CCC(CC=C)C(=O)N[C@H](C)C[C@H](C)CC 467353613 DMVYRVIUGBDJBH-CHWSQXEVSA-N 237.387 3.696 30 20 BHED CC(C)N(CCC#N)C[C@@H]1CCCC(C)(C)C1 536639846 SODZTLVFXRIIGG-CQSZACIVSA-N 236.403 3.827 30 20 BHED CCCN(CC1(C#N)CC1)c1ccc(Cl)cc1 540555102 HVFOMUYKYHQGRP-UHFFFAOYSA-N 248.757 3.860 30 20 BHED CC(C)(C)C#Cc1cncc2ccccc12 585143762 LPTDSNWRIYVVNA-UHFFFAOYSA-N 209.292 3.632 30 20 BHED N#C[C@@H]1CC[C@@H](N2CCC(C3CCCC3)CC2)C1 590162096 LXPRMQFSZAHITO-CZUORRHYSA-N 246.398 3.581 30 20 BHED N#CCC1(CSCCc2ccccc2)CC1 596351603 YILLIXYHOZHZFV-UHFFFAOYSA-N 231.364 3.656 30 20 BHED CCCCCC[C@@H]1CCC[C@H]1NC[C@H](C)C#N 757906233 LOWURFBQXZKTSO-RBSFLKMASA-N 236.403 3.875 30 20 BHED C=C[C@@](C)(CC)C(=O)Oc1ccc(Cl)cc1 785471115 XVNVLKXCWRPOQI-ZDUSSCGKSA-N 238.714 3.848 30 20 BHED N#C[C@@H]1CC[C@@H](Nc2ccc3ccccc3c2)C1 799720352 GEKIPVMMCFQPOM-IUODEOHRSA-N 236.318 3.944 30 20 BHED CCC(=NOC/C=C/Cl)c1ccc(C)cc1 811672352 WZVLGTMNTJQFTN-NINLSGLRSA-N 237.730 3.878 30 20 BHED CCC(CC)NN=C1CS[C@@H](C(C)(C)C)C1 814851567 PGPTUUOBHLJCPM-GFCCVEGCSA-N 242.432 3.672 30 20 BHED C=CCC(C)(C)CNC(=O)/C=C(\C)C(C)(C)C 817456698 CADNPFBHGDLEQR-ZRDIBKRKSA-N 237.387 3.697 30 20 BHED C=CCCC[C@@H](C)OC(=O)c1ccc(C)c(C)n1 840600794 WRASNZYHDDFVIO-GFCCVEGCSA-N 247.338 3.600 30 20 BHED CC(=NOCC(F)F)[C@@H]1C[C@H]1c1cccs1 841633346 VAMCTTSKHLKMGM-DTWKUNHWSA-N 245.294 3.509 30 20 BHED C=CCCCCC[C@H](C)NCC1(C#N)CCC1 841898951 RCKPSDOZUQOBRO-AWEZNQCLSA-N 234.387 3.795 30 20 BHED C=CC(C)(C)CCOC(=O)c1ccoc1Cl 851300224 NKCROQKOHAQQSB-UHFFFAOYSA-N 242.702 3.692 30 20 BHED C=C[C@H](C)ON=C[C@H]1CCC[C@@H](C(F)(F)F)C1 853369095 HEBKKQCUBLFEDD-GARJFASQSA-N 249.276 3.932 30 20 BHED C[C@H](CCC#N)CNc1ccc(C(F)F)cc1 897108341 YVSDIOMYECDXBP-SNVBAGLBSA-N 238.281 3.976 30 20 BHED CC(=NNc1cccc(F)c1)c1cccc(C)c1 920384341 RRZSXYOLLGNDRY-UHFFFAOYSA-N 242.297 3.970 30 20 BHED CCCC[C@H](CC)CNc1cc(C)c(C#N)cn1 1639242805 YUEIHQCGNSEVOI-ZDUSSCGKSA-N 245.370 3.890 30 20 BHED CCCCC#Cc1cnc2cc(Cl)ccc2n1 38977443 XRFXUQLBBDDJGT-UHFFFAOYSA-N 244.725 3.825 30 20 BHED C[C@H]1C[C@H](NCc2cc(C#N)cs2)CC[C@H]1C 93688264 LTMXYIQRELPXRY-NTZNESFSSA-N 248.395 3.534 30 20 BHED C#Cc1cccc(N(C(=O)CCCC)C(C)C)c1 102909342 HIYKTRCMCSCCOZ-UHFFFAOYSA-N 243.350 3.600 30 20 BHED C[C@H]1CCC[C@H](CNc2ccc(C#N)cc2)C1 108886750 LMDLUEJHLDRPLR-JSGCOSHPSA-N 228.339 3.796 30 20 BHED C=CCCCN[C@H](c1ncccc1C)C(C)C 120942629 RYJWPRUYWMLGDY-AWEZNQCLSA-N 232.371 3.643 30 20 BHED C[C@@H](Nc1ccc(C#N)cc1Cl)C1CCC1 124179082 SIUKEVLMCLUTIP-SECBINFHSA-N 234.730 3.812 30 20 BHED C=CC[C@H](C)NC1CC(c2ccccc2C)C1 167511311 KGZMKOBJGRRKBT-NFOMZHRRSA-N 229.367 3.795 30 20 BHED CCC[C@H](CN[C@H](CC)CC#N)c1ccccc1 184092577 YBZVENAIZRCQQQ-HZPDHXFCSA-N 244.382 3.852 30 20 BHED CCc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 185723596 WRJCEJHUKGBOMG-UKRRQHHQSA-N 228.339 3.743 30 20 BHED C=CCCC1(C(=O)NCC2C(C)(C)C2(C)C)CC1 358326034 QIQSBUXLPJNHIX-UHFFFAOYSA-N 249.398 3.531 30 20 BHED N#CC1(CN2CCCCc3ccccc32)CCC1 450555736 BAXGYCVORAMMKE-UHFFFAOYSA-N 240.350 3.523 30 20 BHED C=CC[C@H](C)[C@@H](C)Nc1cccc2c1CCO2 475486818 LPTVDJPBXWCTAO-NWDGAFQWSA-N 231.339 3.634 30 20 BHED C=C(C)CCN[C@H](Cc1ccccc1)C1CC1 509020142 CABYNBFTVPBZPP-MRXNPFEDSA-N 229.367 3.564 30 20 BHED Cc1ccc(CCCSCC2(C#N)CC2)cc1 574115530 RWOXVHMISLFGMG-UHFFFAOYSA-N 245.391 3.965 30 20 BHED C=CCOCCOc1cc(C)ccc1C(C)C 577078943 QCWXDEQVVRYGNS-UHFFFAOYSA-N 234.339 3.700 30 20 BHED C[C@@H](NCCCC1CCC1)c1cccc(C#N)c1 594728503 OSSVBDPUTCSGQW-CYBMUJFWSA-N 242.366 3.789 30 20 BHED Cc1coc(-c2cccc(C3(C#N)CC3)c2)c1 596639290 MZLXDKGJWLASIK-UHFFFAOYSA-N 223.275 3.810 30 20 BHED C=CCC1(NC(=O)CCCCC)CCCC1 619114656 LUQBGAYOSAJXDS-UHFFFAOYSA-N 223.360 3.572 30 20 BHED CC1(C)CCC(C=NO[C@H]2CCCCO2)CC1 755814399 LYLGVXSEJJHDIA-ZDUSSCGKSA-N 239.359 3.732 30 20 BHED C=CC[C@@H](C)[C@H](C)NCc1ccc(C)c(F)c1 764737917 KCJYDTHEGLGRTM-YPMHNXCESA-N 235.346 3.824 30 20 BHED CCc1ccc(/C=C/C(=O)c2ccco2)s1 769770456 IXVUKIXTVSXCGY-BQYQJAHWSA-N 232.304 3.800 30 20 BHED CCCCCCCCC(=O)OCC1(C#N)CC1 775846246 PSLIWDUKVHPJQV-UHFFFAOYSA-N 237.343 3.584 30 20 BHED C=CCN(C)C(=O)C[C@H](C)CCCCCC 777840397 RMPLYEOLJZECBG-CYBMUJFWSA-N 225.376 3.627 30 20 BHED C=C[C@](C)(CC)C(=O)Oc1ccc(OCC)cc1 785470047 RBGKXWNJXFTEHI-OAHLLOKOSA-N 248.322 3.593 30 20 BHED C#CCC1(C(=O)N[C@@H](CC)CCC)CCCCC1 788436827 OUCALEUMFIOTRU-AWEZNQCLSA-N 249.398 3.655 30 20 BHED C=CCCCCCN(C)C(=O)/C(=C\C)CC 788875884 KMLZRMWXFWCPEK-MLPAPPSSSA-N 223.360 3.548 30 20 BHED CC(=NOC/C=C/Cl)c1cccc(C)c1C 811670872 HBVUWZQYBYJWAB-ISFHODSMSA-N 237.730 3.797 30 20 BHED C=CCCC(CCC)=NNc1ccnc(F)c1 814902416 MRPBGANIHBDSKM-UHFFFAOYSA-N 235.306 3.755 30 20 BHED C=C[C@H](CC)CC(=O)N1CC(C2CCCCC2)C1 820735803 ZLIDTAUAHKFMGG-CYBMUJFWSA-N 249.398 3.627 30 20 BHED C=C(CC)CN[C@@H](CC)c1ccc(C)cc1O 834902549 JAXJJQHESJBLQL-AWEZNQCLSA-N 233.355 3.708 30 20 BHED CC(C(=O)O[C@@H](C#N)C1CCCCC1)=C1CCC1 838236120 MGDKHXVJYNYRTN-AWEZNQCLSA-N 247.338 3.502 30 20 BHED FC(F)(F)C1CCC(=NOCC2CCC2)CC1 853440038 XCGMUCHZBBUIIM-UHFFFAOYSA-N 249.276 3.912 30 20 BHED CC(=NNc1ccc(C#N)cc1)C1CCCCC1 915961168 ARIMJQFQDIUVPF-UHFFFAOYSA-N 241.338 3.926 30 20 BHED Fc1ccc(NN=C/C=C/c2ccccc2)cc1 916268270 VFZJWGLFOWPDLR-RCYQAAHFSA-N 240.281 3.937 30 20 BHED CCCCCCCCCNC(=O)N1CC[C@H]1C 920041869 OZDVLTDIKYQZNB-CYBMUJFWSA-N 240.391 3.541 30 20 BHED CCc1ccc(C=NNc2cccc(F)c2)cc1 920383534 GOKDNTOBMYZMMY-UHFFFAOYSA-N 242.297 3.834 30 20 BHED COc1cccc(NN=C2CCCCCC2)c1 19338932 QUHVTSVYEKXHTB-UHFFFAOYSA-N 232.327 3.817 30 20 BHED N#Cc1cccc(N[C@@H]2CCC[C@@H](C3CC3)C2)c1 81623961 NKRPCDPTYQSGDZ-GDBMZVCRSA-N 240.350 3.939 30 20 BHED Cc1ccc(NCc2cc(C#N)cs2)cc1 86500200 OFAAOTISTSUXEM-UHFFFAOYSA-N 228.320 3.540 30 20 BHED Cc1nsc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1C#N 92912388 QNNSBULVZFNTLW-VDDIYKPWSA-N 249.383 3.560 30 20 BHED N#Cc1ccc2c(C(=O)O)cc3ccccc3c2c1 98178834 JIQCEIAJQLIPPE-UHFFFAOYSA-N 247.253 3.563 30 20 BHED C[C@H](Sc1ccccn1)c1ccc(C#N)cc1 118171708 JKAXDSJHFPEVSH-NSHDSACASA-N 240.331 3.807 30 20 BHED C=C(C)CCN[C@H](CC)c1cccs1 168057935 DBUYKZNIMAPJJX-LLVKDONJSA-N 209.358 3.755 30 20 BHED C=CCCCC(=O)N(C)c1ccc(SC)cc1 267317032 OYEIHMRSFCXFOP-UHFFFAOYSA-N 249.379 3.728 30 20 BHED C=CCCCCN[C@@H]1CCC[C@@H]1C1CC1 309007941 QOCBROMPTCAMGX-ZIAGYGMSSA-N 207.361 3.511 30 20 BHED C=C(C)CNc1c(C)cccc1OC(F)F 381190928 YSKGGYLBSMTSTR-UHFFFAOYSA-N 227.254 3.584 30 20 BHED C=C(C)CCN[C@@H](C)[C@H](C)c1ccccc1 381492051 YJAREURRJIWTPO-KBPBESRZSA-N 217.356 3.734 30 20 BHED N#CC1(CCN2CC[C@H]3CCC[C@H]32)CCCCC1 411565428 FIGOOVMXKVOQLM-HUUCEWRRSA-N 246.398 3.725 30 20 BHED CC[C@H](NCCCC(C)(C)C#N)[C@H]1CC1(C)C 419326567 YIDLSWPSIBTKOI-OLZOCXBDSA-N 236.403 3.731 30 20 BHED C=CCSCCC1(C#N)CCCCC1 419402651 CRRURXXYDHQRQE-UHFFFAOYSA-N 209.358 3.770 30 20 BHED C=C(C)CCNCc1cscc1C(F)(F)F 449478610 RYDPBFZYTBWAIP-UHFFFAOYSA-N 249.301 3.823 30 20 BHED CC#CCCOc1ccc(-c2ccccc2)nc1 462374493 XAMAFYUGNRNBOR-UHFFFAOYSA-N 237.302 3.541 30 20 BHED C=CC1CCN(c2nc3cc(C)ccc3o2)CC1 513744384 KBCGXJCFIWBXFN-UHFFFAOYSA-N 242.322 3.539 30 20 BHED C[C@H](N(C)CC(C)(C)CCC#N)C(C)(C)C 536655624 MLIGUSPFOBAIBQ-LBPRGKRZSA-N 224.392 3.683 30 20 BHED CC[C@@H](C)[C@@H](C)NCC#Cc1ccc(Cl)cc1 542542051 MKRJFJDOHFECLK-CHWSQXEVSA-N 249.785 3.716 30 20 BHED C=C1CCN(C/C=C\c2ccc(F)cc2F)CC1 543631897 OEPLHHRJNQWYBY-IHWYPQMZSA-N 249.304 3.630 30 20 BHED CCC[C@]1(C)CCCN([C@H]2CC[C@H](C#N)C2)C1 555377707 SIPYDWAHBUSUFN-SOUVJXGZSA-N 234.387 3.581 30 20 BHED C=CCCSCCNC1CCC2(CC1)CC2 594960489 RMZBKEXSBABGIC-UHFFFAOYSA-N 239.428 3.608 30 20 BHED CC(C)(C)[C@H]1CCN([C@H](C#N)c2ccccc2)C1 595425122 JKWQHKZRQAFOOU-LSDHHAIUSA-N 242.366 3.619 30 20 BHED CCC1(CC)CCCN([C@@H]2CC[C@H](C#N)C2)C1 595753903 ZURHQAXZVWCCMA-UONOGXRCSA-N 234.387 3.581 30 20 BHED N#C[C@@H](Cc1ccccc1)SCc1ccco1 604553160 SUHSZEGQENEKMY-CQSZACIVSA-N 243.331 3.648 30 20 BHED C[C@H](N[C@H]1CCC12CCC2)c1cccc(C#N)c1 619723857 RJRUJHNASKNBPF-WFASDCNBSA-N 240.350 3.542 30 20 BHED C=CCCN[C@H](C)c1ccc(SC)c(F)c1 658116344 JGKDBOOHHPVTCH-SNVBAGLBSA-N 239.359 3.774 30 20 BHED CCCCCCCC(=O)N[C@H](C)CCSC 736057421 UROVUAODTXAXLY-GFCCVEGCSA-N 245.432 3.605 30 20 BHED CCCC[C@H]1CCCC1=NO[C@H]1CCCCO1 755818825 UIGWJCZCZOLCRY-JSGCOSHPSA-N 239.359 3.876 30 20 BHED CCON=C(C)c1ccc2c3c(cccc13)CC2 767464892 SYGXNNXKJUZNBT-UHFFFAOYSA-N 239.318 3.699 30 20 BHED CC1=CCC[C@@H](C)[C@@H]1C=NOCC(C)C 773208702 NUKGTZOAHJNJEO-CHWSQXEVSA-N 209.333 3.637 30 20 BHED C=C(C)CCN1CCC(c2cccc(F)c2)CC1 775609356 NOECMHIWKYEDHH-UHFFFAOYSA-N 247.357 3.971 30 20 BHED C=CCC1(C(=O)OCc2ccc(C)cc2)CCC1 791562073 HLAOWDOQCQVJLW-UHFFFAOYSA-N 244.334 3.785 30 20 BHED Clc1ccnc(NN=C2CCC3(CC2)CC3)c1 792634894 KPOBDRBMFKMYOS-UHFFFAOYSA-N 249.745 3.857 30 20 BHED CC(C)=CCC[C@H](C)CC=NNc1cncnc1 794979150 XBKQYHFSOCJOIH-ZDUSSCGKSA-N 246.358 3.647 30 20 BHED C#CCCCC(=O)Nc1cccc(C2CCC2)c1 812560881 VOCDGQLOHGILLL-UHFFFAOYSA-N 241.334 3.696 30 20 BHED CC1(c2ccccc2)CC(=NOCCC2CC2)C1 814247124 SDCOVIXEKJGSSC-UHFFFAOYSA-N 243.350 3.911 30 20 BHED CC[C@H](C)CON=C1CCC[C@@H]1C(C)(C)C#N 814939228 IVWOHMKMLWJCHH-RYUDHWBXSA-N 236.359 3.755 30 20 BHED C[C@H]1CC[C@@H](C)C(=NOCCC(F)(F)F)C1 834971765 HAKNFRCADLWLMJ-DTWKUNHWSA-N 237.265 3.768 30 20 BHED CC(C)ON=C[C@@H](C)CCc1ccccc1 835001257 XDBKUQZQMGFFPW-ZDUSSCGKSA-N 219.328 3.666 30 20 BHED C#CCCCCC(=O)N[C@@H](CCC)C1CCCC1 838332232 WLUJXDWSJYKURT-HNNXBMFYSA-N 249.398 3.655 30 20 BHED CCCCCCC(=O)O[C@H]1CCC[C@@H](C#N)C1 839060132 YXUVWTSCCBPBII-OLZOCXBDSA-N 237.343 3.582 30 20 BHED C=CCON=C1CCC(=C2CCC2)CC1 853355328 LDYULPOFFWITOJ-UHFFFAOYSA-N 205.301 3.600 30 20 BHED CCCCCCCCOC(=O)CC1CC1 918494631 XGGFUGBGLPNKRU-UHFFFAOYSA-N 212.333 3.690 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1coc2ccccc12 925262562 NMJNEYWGCFBRCU-MNOVXSKESA-N 215.296 3.658 30 20 BHED C[C@@H](C=NOC(C)(C)C)c1ccc(F)cc1 1319582276 DGVCSIFZGZNRJF-JTQLQIEISA-N 223.291 3.730 30 20 BHED C=CCCCc1nnc(-c2ccccc2C)o1 1333060667 ZHUJWRJPMMJPGQ-UHFFFAOYSA-N 228.295 3.554 30 20 BHED C=C(CC)C(=O)Nc1ccc(C)cc1OCCC 1350915700 BCGHGOPTURZOGY-UHFFFAOYSA-N 247.338 3.689 30 20 BHED COc1ccccc1SCCC(C)(C)C#N 87324215 BUCIJPHMDFQQKB-UHFFFAOYSA-N 235.352 3.727 30 20 BHED C=CC1CCN(Cc2cccc3[nH]ccc23)CC1 93359342 ICCRANPMCKAWQJ-UHFFFAOYSA-N 240.350 3.566 30 20 BHED C=CCC[C@@H](NC[C@@H]1Cc2ccccc21)C1CC1 120989638 LRLXBZBEVPVOQH-DOTOQJQBSA-N 241.378 3.661 30 20 BHED CC[C@@]1(C)CCCN(Cc2ccc(C#N)s2)C1 127235438 BDLCCUISMMXZEO-AWEZNQCLSA-N 248.395 3.632 30 20 BHED O=C(/C=C/c1cncs1)c1cccc(Cl)c1 129890061 VXXFYOOPHNRFKK-SNAWJCMRSA-N 249.722 3.693 30 20 BHED C=C[C@@H](C)NCc1cc(F)cc(C(F)(F)F)c1 158117650 FXWKLPUVBSAHJU-MRVPVSSYSA-N 247.235 3.509 30 20 BHED C=CCCCC(=O)N(Cc1cccs1)C1CC1 175236537 GWWHEAVGLOYGQX-UHFFFAOYSA-N 249.379 3.595 30 20 BHED Cc1ccc2[nH]c(S[C@@H](C)CCC#N)nc2c1 188208551 AOAMCCWGPFTNDI-JTQLQIEISA-N 245.351 3.656 30 20 BHED CCCC1(CNc2ccc(C#N)cc2)CC1 230149714 FYYHKJHLQYQVSO-UHFFFAOYSA-N 214.312 3.550 30 20 BHED C[C@H](NCCC#N)c1cccc(Cl)c1Cl 235516878 DLGCWZMYWIDJJP-QMMMGPOBSA-N 243.137 3.558 30 20 BHED C=CCCCCNc1ncccc1Cl 308522923 ZABNVICWUQOPFG-UHFFFAOYSA-N 210.708 3.503 30 20 BHED C=CC[C@H](C)[C@H](C)NC[C@@H]1CC[C@H](C)C1 308828687 FKRKIPKPGUPZPW-XDQVBPFNSA-N 209.377 3.613 30 20 BHED C=CCCCCCCNc1ccc(C#N)cn1 310125294 CXYWGSZLGXYUCZ-UHFFFAOYSA-N 229.327 3.502 30 20 BHED Cc1cc(C)nc(NC2CCC(C)(C#N)CC2)c1 334665284 DVAPSRIFIFUJHD-UHFFFAOYSA-N 243.354 3.583 30 20 BHED C=CC(C)(C)CNCc1cc(Cl)cs1 385036818 MIHACEZNESUZEJ-UHFFFAOYSA-N 229.776 3.703 30 20 BHED CC[C@@H](NCC(C)(C)CC#N)c1ccc(F)cc1 414168992 RGDZPHFXQOGUFV-CQSZACIVSA-N 248.345 3.806 30 20 BHED Cc1cc(CNc2cccc(F)c2)ccc1C#N 443966507 BYSINLUAAPMTDI-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=C(C)CCN[C@H](C)C1CCC(F)(F)CC1 449480607 ZHCHLMVBLXALCW-LLVKDONJSA-N 231.330 3.756 30 20 BHED C=CCCCC[C@H](C)Nc1cccc(CCO)c1 449751514 CGCJDWCRXMXCCM-AWEZNQCLSA-N 247.382 3.768 30 20 BHED C=C1CCN([C@H](CC)c2ccc(F)cc2)CC1 524597878 VGJBVOZSKFDMER-OAHLLOKOSA-N 233.330 3.929 30 20 BHED Cc1ccc(-c2cnc(C3CC3)o2)cc1CC#N 530250293 LLWCQSYZVFYLCF-UHFFFAOYSA-N 238.290 3.594 30 20 BHED C=CCC[C@H](N[C@H]1CCC[C@H]1F)c1ccco1 565789547 VKBGCSVQNIYQDN-AGIUHOORSA-N 237.318 3.767 30 20 BHED C[C@@H]1[C@@H](N[C@H](C#N)c2ccccc2)CCC[C@H]1C 595439420 HGSVPSLIOOQQQJ-BFJAYTPKSA-N 242.366 3.666 30 20 BHED C[C@@H](CCC#N)N1CC[C@@H](C2CCCCC2)C1 595738784 NVLLAKFSAHZYSW-DZGCQCFKSA-N 234.387 3.581 30 20 BHED C[C@H](CCC#N)CN(C1CC1)[C@H](C)c1ccco1 602455804 URRWLTFXDZFJIV-CHWSQXEVSA-N 246.354 3.745 30 20 BHED N#C[C@H]1CCC[C@H](Nc2cccc3cc[nH]c23)C1 618578732 VEJRWEPKIRIXQU-AAEUAGOBSA-N 239.322 3.662 30 20 BHED C#C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)C(C)(C)C 705219448 PMEURPPTAWEWDX-ZLDLUXBVSA-N 245.366 3.541 30 20 BHED CCCCCCCOC(=O)CC(C)(F)F 758704859 NYSXDGIHDASCIC-UHFFFAOYSA-N 222.275 3.545 30 20 BHED C#CCCCCC(=O)NCC[C@@H]1CCCC[C@H]1C 773305027 ZVYYLVHLKZUVRQ-CABCVRRESA-N 249.398 3.513 30 20 BHED C#CCCN[C@H](C)c1ccc(SC(C)C)cc1 775350338 AHRSZKXVQOTRJJ-CYBMUJFWSA-N 247.407 3.861 30 20 BHED C=C(Cl)CN(C)[C@H](C)C1CCCCC1 801600771 NLUBZWFCMRTOAM-LLVKDONJSA-N 215.768 3.640 30 20 BHED CC(C)C1CCC(=NOCC2CC2)CC1 814242181 VCEVFQOMHHVLCE-UHFFFAOYSA-N 209.333 3.615 30 20 BHED CCCC(=NOC1CCCCC1)c1cccnc1 814910612 YWKSPHUZQNTNFM-UHFFFAOYSA-N 246.354 3.935 30 20 BHED CC(=NNc1cc(Cl)nc(Cl)c1)C(C)C 819831590 NTFFOGDXGTWDAF-UHFFFAOYSA-N 246.141 3.832 30 20 BHED C=C(C)C(C)(C)C(=O)Oc1ccccc1C 819941200 JDNCBIGNPCTDOR-UHFFFAOYSA-N 218.296 3.503 30 20 BHED CCCCCCCNc1cccc(CC(=O)O)c1 829357649 RPNBHEHFMIUZLT-UHFFFAOYSA-N 249.354 3.696 30 20 BHED C=CC(C)(C)COC(=O)[C@H](C)c1cccs1 835724293 IHELFQGLXSSYOJ-SNVBAGLBSA-N 238.352 3.607 30 20 BHED c1ccc(CON=C2CCCCCC2)cc1 839418176 HUFIJSCDXLXGIQ-UHFFFAOYSA-N 217.312 3.913 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCCO2 850444857 WGDVHNUFTWCPLJ-OLZOCXBDSA-N 245.366 3.627 30 20 BHED C=C(C)[C@@H](C)OC(=O)/C=C(\C)c1cccs1 857018616 IKOSRXZXHYQCJA-RJCSOLBVSA-N 236.336 3.659 30 20 BHED C=CC(C)(C)CC(=O)Nc1c(C)cccc1C 887628617 XLXAHBVLUURNJU-UHFFFAOYSA-N 231.339 3.844 30 20 BHED C=C1CCC(C(=O)N(C)[C@@H](C)C(C)(C)C)CC1 887951620 ISCRMWBPBWEHKE-LBPRGKRZSA-N 237.387 3.626 30 20 BHED CCCCCCCCS[C@H](C)C(=O)OC 915795786 YWICSHVLSLWDOQ-LLVKDONJSA-N 232.389 3.642 30 20 BHED C=C(Cl)CN(C)[C@H]1CCCC[C@@H]1CC 1473388576 LFKDZGZLGACJCL-RYUDHWBXSA-N 215.768 3.640 30 20 BHED N#CCC1(COc2ccc3ccccc3c2)CC1 88259781 CATVPPYDPXOVOV-UHFFFAOYSA-N 237.302 3.912 30 20 BHED CC(C)CS[C@H](C#N)C1CCCCC1 96604987 VLLUTNWBLRLKFY-GFCCVEGCSA-N 211.374 3.848 30 20 BHED C=CC[C@@H](C)NCc1ccccc1OC(C)C 116927095 PXYXVCFFMFEIAY-CYBMUJFWSA-N 233.355 3.528 30 20 BHED C=CC[C@H](C)NCc1ccc(OC(C)C)cc1 116927180 FTXTVQDXZOBHAR-ZDUSSCGKSA-N 233.355 3.528 30 20 BHED C=C[C@H](C)N[C@H](C)c1ccc(SC)c(F)c1 119329906 IZMSWYUHKOLNGP-VHSXEESVSA-N 239.359 3.773 30 20 BHED C=CCC[C@H](C)NCCC1=CCCCC1 126693772 UMRDSVBIFVVRGY-ZDUSSCGKSA-N 207.361 3.821 30 20 BHED C=CC[C@H](C)N[C@H](C)c1cccc(C)c1 128036798 RCBZGEBZBUWUCK-QWHCGFSZSA-N 203.329 3.610 30 20 BHED CCN(Cc1cc(C#N)ccc1F)[C@H](C)C(C)C 128435489 JEKLBCIICBUOBR-GFCCVEGCSA-N 248.345 3.564 30 20 BHED C=C[C@H](C)NCc1ccc(C(C)(C)C)cc1 130444085 CYMMYNPTMVOBLZ-LBPRGKRZSA-N 217.356 3.648 30 20 BHED Cc1ccc(C#N)cc1OCCCC(C)(C)C#N 131475921 BFYAXZBYWGCGHZ-UHFFFAOYSA-N 242.322 3.575 30 20 BHED C=C(CN[C@@H](C)[C@@H](C)CC)c1ccccc1 132307313 ALSMZPLUYHWEMT-JSGCOSHPSA-N 217.356 3.724 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccccc1OCC 163309260 SCFQQTTXNIMGHA-OLZOCXBDSA-N 233.355 3.701 30 20 BHED C=CCC(CC=C)C(=O)N1CCCC[C@@H]1CCC 183060290 NVIRWWAOKVNSRD-HNNXBMFYSA-N 249.398 3.936 30 20 BHED COc1cccc(CS[C@H]2CC[C@H](C#N)C2)c1 278603233 QWTDBZYISUPTDO-FZMZJTMJSA-N 247.363 3.621 30 20 BHED N#CCCCC(=O)Nc1cccc(C2CCC2)c1 293308081 NFHYIPMURVVCLI-UHFFFAOYSA-N 242.322 3.586 30 20 BHED CC(C)C[C@H](C)OC(=O)Oc1ccccc1C#N 294547197 WGEIUTDFQIQAJF-NSHDSACASA-N 247.294 3.508 30 20 BHED CCCCCCCC(=O)Nc1c(C)noc1C 299482111 GEYCRUOIGVHXGB-UHFFFAOYSA-N 238.331 3.590 30 20 BHED CC(C)(CCC#N)CNCC(C)(C)C(C)(C)C 310136109 CCFRHMWAOWBSNH-UHFFFAOYSA-N 238.419 3.978 30 20 BHED C=CCCCCN[C@H](CC)c1ccccc1O 310421778 ZDMNWMMIOBFCFL-CQSZACIVSA-N 233.355 3.789 30 20 BHED C=CCCN(Cc1cccs1)C(C)C 338547449 OITFIXRVTNHUNM-UHFFFAOYSA-N 209.358 3.535 30 20 BHED C=CCC(C)(C)CNCc1cc(C)oc1C 378792360 OJCJOIVQVCWBBX-UHFFFAOYSA-N 221.344 3.588 30 20 BHED C=CCC(C)(C)CNCc1cccc(C)c1 379905778 KCFOEXUDPSDYCW-UHFFFAOYSA-N 217.356 3.687 30 20 BHED C=CCCCN[C@H](C)c1ccc(F)c(C)c1 390477644 LKCYCJMKJYDTRD-GFCCVEGCSA-N 221.319 3.751 30 20 BHED CC[C@@H](NCC(C)(C)CCC#N)[C@H]1CC1(C)C 414171191 WYZOSPGVTAQPGE-CHWSQXEVSA-N 236.403 3.731 30 20 BHED C=CCN(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 441346225 NDBUALLEAFXGKJ-HOTGVXAUSA-N 229.367 3.749 30 20 BHED C=CCCCCCS[C@H]1CCO[C@H]1C 447291823 ZIDNRQJUAFFKBF-RYUDHWBXSA-N 214.374 3.643 30 20 BHED C=CC(C)(C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 448928982 PDYLVEAEMUMYQW-CYBMUJFWSA-N 245.366 3.693 30 20 BHED C=C(C)CCNCc1ccc(C(F)(F)F)s1 449479455 VAMWJUOYCJIIKM-UHFFFAOYSA-N 249.301 3.823 30 20 BHED CC(C)C[C@@]1(C)CCCN1CCCCC#N 451290257 LRMPGVBSLILIBE-CQSZACIVSA-N 222.376 3.581 30 20 BHED C=CC(C)(C)CN[C@H]1CCc2ccc(F)cc21 453314980 ZCNZZJOSQWSCNY-AWEZNQCLSA-N 233.330 3.615 30 20 BHED C=C(CC)CN[C@@H]1CCc2c(F)ccc(F)c21 453341234 COLFYLYTYVMTIO-CYBMUJFWSA-N 237.293 3.508 30 20 BHED C=CCCCOc1ccc(OC(F)(F)F)cc1 462662463 XFMQLRWKTQOGRI-UHFFFAOYSA-N 246.228 3.930 30 20 BHED C=CCCCCNC(=O)[C@@H](C)c1cccc(C)c1 471705862 MCKLJEOLJCFOTD-AWEZNQCLSA-N 245.366 3.571 30 20 BHED C=C(C)CCN(C)[C@H](CC)Cc1ccccc1 509694858 CBLIBXFOWXCGAU-MRXNPFEDSA-N 231.383 3.906 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@H](CCC)C(C)C 537317623 KAXBTMDBDYGBPY-ZIAGYGMSSA-N 239.403 3.920 30 20 BHED CC#CCCOc1cnc2ccc(Cl)cc2c1 551360521 DXJJNYXZWUJEDI-UHFFFAOYSA-N 245.709 3.680 30 20 BHED C=CC[C@@H](C)NC(=O)C[C@@H](C)CCC=C(C)C 567938623 BVSWASXNVLOTNI-UONOGXRCSA-N 237.387 3.840 30 20 BHED O=C(/C=C\c1cc(Cl)cs1)c1ccco1 588601267 PNMPNSTYMDRDJW-ARJAWSKDSA-N 238.695 3.891 30 20 BHED C=CC[C@H](C)NC(=O)c1ccc(CCCC)cc1 604880092 SIFJJWXUVOLBTP-ZDUSSCGKSA-N 245.366 3.724 30 20 BHED C[C@H](CCC1CCCCC1)NCC1(C#N)CC1 619534983 JFXANIALGADDBD-CYBMUJFWSA-N 234.387 3.629 30 20 BHED C=C(CNc1nc2ccccc2[nH]1)c1ccccc1 673461357 HKJOUCQOSZUVGX-UHFFFAOYSA-N 249.317 3.688 30 20 BHED C=CC[C@@H](CC)NC(=O)C[C@@H](C)CC(C)(C)C 684939818 WNPRHLYCRGWVHL-CHWSQXEVSA-N 239.403 3.920 30 20 BHED C=CC(C)(C)CNCc1csc(C(C)C)n1 702854821 ORZHEIXTCGMPGR-UHFFFAOYSA-N 238.400 3.568 30 20 BHED C=CCCOC(=O)C[C@H](c1ccccc1)C(C)C 729074235 LKZONKLAOFRSOE-HNNXBMFYSA-N 246.350 3.936 30 20 BHED C=C(C)COC(=O)C[C@H](C)c1ccc(CC)cc1 738684643 KEPFPSQCZAHVPS-ZDUSSCGKSA-N 246.350 3.862 30 20 BHED COCCON=C1CCC[C@H](C(C)(C)C)CC1 746579723 WQRXPQVUDBFGBM-LBPRGKRZSA-N 241.375 3.632 30 20 BHED COc1ccc(NN=C(C(C)C)C2CC2)cc1 750945617 HXCJUSPYMGYPFI-UHFFFAOYSA-N 232.327 3.529 30 20 BHED C#CCCN(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 760843916 RQLRWIMUXKBBMW-OLZOCXBDSA-N 249.785 3.787 30 20 BHED C(=NOC1CCCC1)[C@H]1C[C@@H]1c1ccccc1 774601611 FCQVWOIJVXAPAG-UKRRQHHQSA-N 229.323 3.735 30 20 BHED C=C[C@](C)(CC)C(=O)OCc1ccc(C)cc1 785757828 NMVGEVOULBZUGL-OAHLLOKOSA-N 232.323 3.641 30 20 BHED C[C@H](NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)C(C)(C)C 793113164 AOEQBDBTWFNPEF-NDKCEZKHSA-N 248.414 3.823 30 20 BHED CC[C@@H](C)CON=C(C)c1sccc1C 793144647 FGRGZAQEVPBEAJ-SECBINFHSA-N 225.357 3.843 30 20 BHED C=CCCCCC[C@@H](C)NC[C@@H]1CCCOC1 793522990 OPVYNAVGBIOZIK-CABCVRRESA-N 239.403 3.528 30 20 BHED C=CC[C@@H](CC)NC(=O)/C=C\C1CCCCC1 798554732 STCITQGBPSAVAP-XMXAVACDSA-N 235.371 3.594 30 20 BHED C=C(Cl)COC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 805783724 YQWKAQAVUOEJJF-WDEREUQCSA-N 242.746 3.521 30 20 BHED CCCC[C@H](C)C(C)=NNc1cc(C)nc(C)n1 807963892 OGHKFELZZQIDCM-JTQLQIEISA-N 248.374 3.708 30 20 BHED C=CCC[C@H](C)OC(=O)C[C@@H](C)c1ccco1 859813405 JVDICGIWEJZDHS-NEPJUHHUSA-N 236.311 3.671 30 20 BHED C=C/C=C\CCSCC1(C#N)CCC1 902406757 WJVANKZPGDHRHU-ARJAWSKDSA-N 207.342 3.546 30 20 BHED C[C@@H]1CC[C@H](NCC2(C#N)CC2)c2ccccc21 903102022 PUQBGAXMSSFQAL-DOMZBBRYSA-N 240.350 3.518 30 20 BHED C=CCN(CCOc1c(C)cccc1C)C(C)C 917070559 FESITVDSEZGANB-UHFFFAOYSA-N 247.382 3.579 30 20 BHED C[C@@H](CCC(C)(C)C)Nc1ncc(C#N)cc1F 1651541516 CDCVIGCQLNKKCX-JTQLQIEISA-N 249.333 3.719 30 20 BHED Cc1ccc(Sc2cccc(C#N)n2)cc1C 81622210 MJMJLCMUZLUWLA-UHFFFAOYSA-N 240.331 3.721 30 20 BHED C[C@H]1CCC[C@@H](N(C)c2cccc(F)c2C#N)C1 88263518 AUEGVPKAVGDMOX-NWDGAFQWSA-N 246.329 3.712 30 20 BHED Cc1cc(C)c(C#N)c(NCC2(C)CCCC2)n1 111617767 MDSLYBSRBUDKAH-UHFFFAOYSA-N 243.354 3.562 30 20 BHED C#CCCCCC(=O)NC[C@H](CC)CCCC 119554748 WTOBEFDVXOATPN-CQSZACIVSA-N 237.387 3.513 30 20 BHED C=C(C)COCCN[C@H](C)c1cc(C)ccc1C 125629119 KRLCDQHFMIRBMC-OAHLLOKOSA-N 247.382 3.547 30 20 BHED C=CCC[C@H](C)Nc1ccccc1OCC 126894403 KSTHLIGAJUFVSZ-LBPRGKRZSA-N 219.328 3.852 30 20 BHED CC(C)[C@@H]1CCCCN1Cc1ccc(C#N)s1 126991800 UOMGGTUQMKAMSA-AWEZNQCLSA-N 248.395 3.630 30 20 BHED C=C[C@@H](C)N[C@H](C)c1ccc(OCCC)cc1 132690172 XVEASNILKYORTJ-CHWSQXEVSA-N 233.355 3.701 30 20 BHED C=CC[C@H](C)N[C@H]1CCc2cc(Cl)ccc21 161649879 PWABDGOOLCNGDI-HZMBPMFUSA-N 235.758 3.882 30 20 BHED CC[C@H]1CCc2ccccc2N1CCCC#N 178070463 UNEAQDAMFPGBKD-AWEZNQCLSA-N 228.339 3.522 30 20 BHED C=CC[C@@H](C)NC(=O)c1ccc(C(C)C)s1 186247542 QDHCHDGHTGAZLY-SNVBAGLBSA-N 237.368 3.566 30 20 BHED Cc1cccc(C)c1OCCSCCCC#N 190879405 GJKFULFLTXGCIG-UHFFFAOYSA-N 249.379 3.719 30 20 BHED N#C[C@H]1CCC[C@H](NCCC2=CCCCCC2)C1 193294401 CGZUVGXIPGLRIB-HOTGVXAUSA-N 246.398 3.939 30 20 BHED CC(C)=CCCN[C@@H](C)c1ccc(C#N)c(F)c1 276721408 DFHPYMMLQOPTOB-LBPRGKRZSA-N 246.329 3.704 30 20 BHED C=CCCCN[C@H](c1ccccc1)C(F)F 292754241 OAZAWKXVKYTICN-GFCCVEGCSA-N 225.282 3.549 30 20 BHED CC(C)C1CCC(Nc2ncccc2C#N)CC1 301642292 BRVCRHRVKOJISR-UHFFFAOYSA-N 243.354 3.580 30 20 BHED CC(C)C[C@@H](C)COc1cccc(C#N)c1 304172134 LSJXYTLACFXXMG-GFCCVEGCSA-N 217.312 3.619 30 20 BHED C=CCC(C)(C)CN[C@H]1CCC(C)(C)C1 310242015 ISMJOSFARDEEIR-LBPRGKRZSA-N 209.377 3.757 30 20 BHED C=C(CC)CN[C@@H](C(C)(C)C)C(F)(F)F 379876025 AGAGGWDZFPXGRM-VIFPVBQESA-N 223.282 3.519 30 20 BHED CCCC[C@@H](C)N(C)Cc1ccc(C#N)c(F)c1 404059373 MAAWYCZTGPGZSP-GFCCVEGCSA-N 248.345 3.708 30 20 BHED N#Cc1cnc(SC2CCCCC2)c(F)c1 413027707 ZQKCNSKENNFMEN-UHFFFAOYSA-N 236.315 3.517 30 20 BHED CCC[C@H](C)[C@H](CC)NCC(C)(C)CC#N 414173753 XHUPCIOKROOIFH-STQMWFEESA-N 224.392 3.731 30 20 BHED C=CCC[C@H](CC)Nc1ccc2c(c1)CCN2 423219547 UFCPUGIZPCUGSI-ZDUSSCGKSA-N 230.355 3.811 30 20 BHED C=CCC1(C(=O)N(C)CC(C)(C)C)CCCC1 449830447 YBLJVGMBMZPFCJ-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CCC1(C(=O)N2C[C@@H](C)[C@H](C)C2)CCCCC1 449999335 MGJZBOBKFHNLLS-ZIAGYGMSSA-N 249.398 3.627 30 20 BHED N#C[C@@H](SCc1cccnc1)C1CCCCC1 451046531 GRBIPNUZQMQYOA-CQSZACIVSA-N 246.379 3.787 30 20 BHED C=CCCC1(C(=O)N2CC(C)(C)[C@H]2C(C)C)CC1 480452457 YJIJMFUCSHKPHR-CYBMUJFWSA-N 249.398 3.626 30 20 BHED C=CCN(CC(C)C)CC1CCCCC1 484518830 XFRQCYAHGPAQIY-UHFFFAOYSA-N 209.377 3.711 30 20 BHED C=CCCCCCN(CCC#N)CC(C)(C)C 488414053 GHMHLSZOXKODCK-UHFFFAOYSA-N 236.403 3.995 30 20 BHED C=C(C)CN(CC)C/C(C)=C\c1ccccc1 505877643 UTLNBYILMHOZGB-PTNGSMBKSA-N 229.367 3.988 30 20 BHED C=C(C)CN(CC)C(=O)C1(C)CCCCCC1 510161591 FLZFGNHLZXYGRS-UHFFFAOYSA-N 237.387 3.772 30 20 BHED C=C(CC)CN(C)[C@H](C)c1ccccc1 536881196 IXXCETYWCYEMCA-CYBMUJFWSA-N 203.329 3.646 30 20 BHED C=CC[C@H](C)N[C@@H](Cc1ccc(F)cc1)C(C)C 539073653 OUVCSCNTSYMXKD-BBRMVZONSA-N 249.373 3.947 30 20 BHED C[C@H](CCC#N)CN(C)[C@H](C)c1ccccc1 602434516 VEUXVXVQVUAOSB-ZIAGYGMSSA-N 230.355 3.619 30 20 BHED C=C(CC)CNC(=O)Nc1ccc(C2CC2)cc1 652817759 DDTGAEOOVOLGLD-UHFFFAOYSA-N 244.338 3.652 30 20 BHED C#Cc1cccc(NC(=O)[C@@H](C)C(CC)CC)c1 761234420 KMYUXQJRSQDKRX-LBPRGKRZSA-N 243.350 3.679 30 20 BHED Cc1cccc(NN=C[C@H]2C[C@H]3CC[C@H]2C3)c1 762408322 CWWPQFBQZCQTBZ-MELADBBJSA-N 228.339 3.829 30 20 BHED CCc1ccc(/C=C\C(=O)c2cscn2)s1 776193085 ONKAPZQQDLZFTG-WAYWQWQTSA-N 249.360 3.663 30 20 BHED CC(CCC(C)C)=NOCCC(F)(F)F 777462395 AMVIVSJHEKUITP-UHFFFAOYSA-N 225.254 3.768 30 20 BHED C=CCN(C(=O)[C@H](CC)CCCC)C(C)C 791128223 WQQQDSNXNSSAJN-CYBMUJFWSA-N 225.376 3.626 30 20 BHED CCON=C(C)[C@H](C)c1ccc(Cl)cc1 794489692 AFGPWGQJCJVTHZ-VIFPVBQESA-N 225.719 3.856 30 20 BHED C=CCCCCCCNC(=O)C1(F)CCCC1 805220230 IQDLWTFWXXQSRW-UHFFFAOYSA-N 241.350 3.521 30 20 BHED C=CCCCCCCCNCc1ccc(C#N)o1 810160616 NDDUYBGVMSRRLZ-UHFFFAOYSA-N 246.354 3.767 30 20 BHED C=CCCCCOC(=O)c1sccc1Cl 811009860 CWJVIDMNLAUVKI-UHFFFAOYSA-N 244.743 3.915 30 20 BHED CC(C)[C@@H]1CCCC(=NOC2CCC2)C1 812235447 HAPGBYVXONDLFS-LLVKDONJSA-N 209.333 3.758 30 20 BHED C[C@H]1CCC(=NNc2ccc(C#N)c(Cl)c2)C1 814901301 HQNZNVPFLPULRZ-VIFPVBQESA-N 247.729 3.800 30 20 BHED CC[C@H](C)NN=Cc1ccc(C2CCC2)cc1 814913571 QNLRMVVZFJXIFI-LBPRGKRZSA-N 230.355 3.676 30 20 BHED C[C@H](NN=C1CC[C@@H](C)[C@@H](C)C1)c1ccncc1 819815853 DNBHGBMTPIBOAZ-AGIUHOORSA-N 245.370 3.544 30 20 BHED CCC(=NNc1cccc(OC)c1)[C@@H]1C[C@H]1C 841616189 FDOYHHLVZQXTQR-ZWNOBZJWSA-N 232.327 3.529 30 20 BHED CCCON=C(C)c1csc(Cl)c1 842553254 IACLSFZHQVYLKY-UHFFFAOYSA-N 217.721 3.552 30 20 BHED C=CC(C)(C)CC(=O)N1CCC[C@H](CC)CC1 878876317 WKOYGOMQNNVXGQ-ZDUSSCGKSA-N 237.387 3.627 30 20 BHED C=C1CC(c2noc([C@@H](F)c3ccccc3)n2)C1 896883884 MOCFVXQIGUHYIS-LBPRGKRZSA-N 244.269 3.562 30 20 BHED CC(C)=CCC/C(C)=C/C=NNc1cnccn1 912958980 RXUSRDHRQUOEFI-FPVBWFHCSA-N 244.342 3.567 30 20 BHED CCCCCCCCOCc1nnc(CC)o1 1326080844 ZHWRHCOPUFHNQC-UHFFFAOYSA-N 240.347 3.509 30 20 BHED C[C@@H]1CN([C@H](C#N)c2ccccc2)CC(C)(C)C1 1645016173 VIHNPPSZGGRXTE-DZGCQCFKSA-N 242.366 3.619 30 20 BHED CC12CC(B3OC(C)(C)C(C)(C)O3)(C1)[C@@H]2C1CC1 2090608782 ZOJQHZQBDCKQDN-VCANKDNSSA-N 248.175 3.659 30 20 BHED CC(C)(C)[C@H]1CCCN(CC2(CC#N)CC2)CC1 88259564 HKINUJHKGGBXDW-AWEZNQCLSA-N 248.414 3.828 30 20 BHED C[C@@H]1CC[C@H](NCC(C)(C)C#N)c2ccccc21 122324024 QTRMNVJYQBQZHT-DOMZBBRYSA-N 242.366 3.764 30 20 BHED C=CCC[C@H](C)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 126907236 IVYQEUQAWDULLY-ZOBORPQBSA-N 209.377 3.755 30 20 BHED C=CCCN1CCC[C@H]1c1ccc(F)cc1 132448272 LIDIQGICIXLLEX-AWEZNQCLSA-N 219.303 3.539 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1CCCSC1 134820339 DVAKUXIPBJNYIZ-QWHCGFSZSA-N 227.417 3.607 30 20 BHED C=C[C@](C)(CC)C(=O)N1CCC[C@H]2CCCC[C@H]21 248801570 GBLPUGONMGBPMW-IIAWOOMASA-N 249.398 3.770 30 20 BHED C[C@@H]1CN(c2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 302132646 CGQMMDZBXOPGBF-DAXOMENPSA-N 240.350 3.573 30 20 BHED C=C(Cl)CN(CCC)Cc1ccccc1 302837647 NTUMULOGIWHMNU-UHFFFAOYSA-N 223.747 3.651 30 20 BHED C=CCCCN[C@@H](C)c1c(C)cccc1C 309424593 KEZSHCNWWSMHFD-AWEZNQCLSA-N 217.356 3.920 30 20 BHED C=CCN(Cc1cccc(F)c1Cl)C1CC1 339062397 AGBIWAZYPVFWQR-UHFFFAOYSA-N 239.721 3.630 30 20 BHED CC(C)(C)N(Cc1ccccc1)CC1(C#N)CC1 343315370 PPKMNWOHRKFEHX-UHFFFAOYSA-N 242.366 3.591 30 20 BHED C=CCCSc1nccn1Cc1ccccc1 351571516 RASNFWVPZOWILF-UHFFFAOYSA-N 244.363 3.600 30 20 BHED C=C1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 353285399 HLINVYXBVMIYGV-GXTWGEPZSA-N 231.339 3.555 30 20 BHED CC(C)(CCC#N)CN(CC1CC1)C1CCC1 355723003 BSHJEERGTOUZQB-UHFFFAOYSA-N 234.387 3.581 30 20 BHED C#CCCCCN[C@H](C)[C@@H](C)CCCC 380290709 BLKSQUIKXBQXIS-UONOGXRCSA-N 209.377 3.594 30 20 BHED C=CCCCCN[C@@H](C)c1c(F)cccc1F 393828246 HJACEQNPFLWAEA-NSHDSACASA-N 239.309 3.972 30 20 BHED Cc1cccc(C)c1[C@@H](C)N[C@@H](C)CCC#N 411526601 MJWNJNHXQMVPBN-UONOGXRCSA-N 230.355 3.646 30 20 BHED CCCC[C@H](CCC)CN[C@H]1CC[C@H](C#N)C1 442762353 DVJRQROIOUYSIT-KKUMJFAQSA-N 236.403 3.875 30 20 BHED C=CCCCN[C@H]1c2cc(F)ccc2C[C@H]1C 448023645 UOMHJMOLAYJSNE-IAQYHMDHSA-N 233.330 3.615 30 20 BHED CCC(CC)Sc1ccc(C#N)c(C)n1 488106711 YABDZPBLLLUCSC-UHFFFAOYSA-N 220.341 3.542 30 20 BHED C=C(C)CCN(C)[C@H](C)c1cc(F)ccc1F 509312719 DYDXZNKVVVSAHM-LLVKDONJSA-N 239.309 3.924 30 20 BHED CC[C@H](c1ccccc1)N1CCC(CC#N)CC1 541023342 PELLWQOLROBGIS-MRXNPFEDSA-N 242.366 3.763 30 20 BHED C=CCC[C@@H](C)Nc1cc(C#N)ccc1OCC 543624115 LLJXUNFWUCQRSO-GFCCVEGCSA-N 244.338 3.724 30 20 BHED C=CCCN(CCc1ccc(F)cc1)CC(C)C 606897567 ZGALRIMKZQPZSK-UHFFFAOYSA-N 249.373 3.902 30 20 BHED C=CCCCSCc1ccc(OCC)cn1 610781126 JTCRXELSKAMTNH-UHFFFAOYSA-N 237.368 3.680 30 20 BHED C=C(C)CN(C)C[C@@H](C)c1cccc(Cl)c1 682163586 BJJHOXQPGLEAIM-GFCCVEGCSA-N 237.774 3.951 30 20 BHED CCC(Cc1cccs1)=NOCC(C)C 749636860 UCNYXVRNDGTOAZ-UHFFFAOYSA-N 225.357 3.729 30 20 BHED C=C(C)CN1CCC(c2ccc(F)cc2)CC1 752093984 OPJZYUSROGRLQV-UHFFFAOYSA-N 233.330 3.581 30 20 BHED C/C(C=NO[C@H]1CCCCO1)=C\c1ccccc1 755817341 ZFQJZFVURYMRIN-WQHFZTMKSA-N 245.322 3.619 30 20 BHED CC(=NNc1c(C)cccc1F)C1CCC1 769839150 ABCUOUXKAKVVRZ-UHFFFAOYSA-N 220.291 3.722 30 20 BHED CC(=NOC1CCCC1)C1CCCCC1 774607360 FPDQTLRUPVNQRB-UHFFFAOYSA-N 209.333 3.902 30 20 BHED CC[C@@H]1CCCC(=NNc2ncccc2F)C1 794985219 SXDZAYQSUSHJNX-SNVBAGLBSA-N 235.306 3.589 30 20 BHED CC[C@H]1C[C@H](C)CCC1=NNc1cccc(F)n1 795009626 FSARILPWBQXHHA-MNOVXSKESA-N 249.333 3.835 30 20 BHED C#C[C@@H](NC[C@H](C)c1ccc(F)cc1)C(C)(C)C 809782823 INIJDNPHCDEEBG-SWLSCSKDSA-N 247.357 3.567 30 20 BHED CCCCCCCN1CCC(F)(F)[C@H](C)C1 810045184 GVNZVZHNWRUODK-GFCCVEGCSA-N 233.346 3.934 30 20 BHED C=CCCCCOC(=O)c1ccc(C(C)C)nc1 811013216 MFXGABJNQOAOJT-UHFFFAOYSA-N 247.338 3.718 30 20 BHED C#C[C@@H](N[C@@H](C)CC1CC1)c1ccc(Cl)cc1 811516401 NFQYBWHHHAEWQC-XHDPSFHLSA-N 247.769 3.793 30 20 BHED C[C@@H]1C[C@@H]1c1ccc(C=NOC/C=C\Cl)o1 811668864 KXMDKPJNZVWFPK-NBMQPCHRSA-N 239.702 3.506 30 20 BHED C[C@@H]1CCCC[C@@H]1C=NOC/C=C/Cl 811671968 ZFBVVDBFPKABEN-LQFRTFQTSA-N 215.724 3.568 30 20 BHED CCCCNN=C1CC[C@H](Cc2ccccc2)C1 814805199 BJLLDPVRXULQNJ-OAHLLOKOSA-N 244.382 3.775 30 20 BHED Fc1cccc(NN=CCC2CCCCC2)n1 814927971 POXANYPTOJYQLN-UHFFFAOYSA-N 235.306 3.589 30 20 BHED CC(C)ON=C[C@H](OC(C)C)c1ccccc1 835001816 KGIXJSOJVVBPGK-AWEZNQCLSA-N 235.327 3.564 30 20 BHED C=C[C@H](C)ON=C[C@H](C)c1ccc(F)cc1 844620917 ASNREUKKUCIHGH-QWRGUYRKSA-N 221.275 3.506 30 20 BHED C=CC(C)(C)CC(=O)N1CCC(CC)(CC)C1 879129920 QARRXBGKUOVCNS-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CC(C)(C)Cc1nc(-c2ccccc2F)no1 904778822 YJGJUHNYWFCWAE-UHFFFAOYSA-N 246.285 3.630 30 20 BHED N#CCCCN(CC[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 917412492 OPEHESLBMWUMTF-SOUVJXGZSA-N 246.398 3.581 30 20 BHED CCCCCCCOC(=O)c1ccc(C)o1 918493230 LRNWVFWFLQHOAF-UHFFFAOYSA-N 224.300 3.715 30 20 BHED C=CCCCCCN[C@@H](c1ccccn1)C1CC1 932386163 ONKDPFRNNCWQRV-MRXNPFEDSA-N 244.382 3.869 30 20 BHED CCc1ccc(/C=C\c2cc(C#N)ccn2)cc1 1116855001 SXEHMPDCQLZNIP-FPLPWBNLSA-N 234.302 3.686 30 20 BHED CC(C)CC[C@H]1CCCN1CC1(CC#N)CC1 1657782326 DIGUXFUZGZOENK-CQSZACIVSA-N 234.387 3.581 30 20 BHED Cc1ccc(CNc2cccc(C#N)c2)s1 20090103 SLQYYRLIPNSHET-UHFFFAOYSA-N 228.320 3.540 30 20 BHED CCCCC[C@H](C)Nc1ccc(OCC#N)cc1 20126600 VKVUTYJWTMFLEO-ZDUSSCGKSA-N 246.354 3.970 30 20 BHED CCN(Cc1ccccc1)c1ccc(C#N)cc1 20362099 LMAMLLORRZQIGP-UHFFFAOYSA-N 236.318 3.585 30 20 BHED CCCC[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 37284461 KNNYHNIZZIJTEG-CHWSQXEVSA-N 230.355 3.788 30 20 BHED N#Cc1ccc(SCCCF)c(Cl)c1 163291095 MDFXDMKQSYFIES-UHFFFAOYSA-N 229.707 3.663 30 20 BHED C=CCN(Cc1cccs1)CC1CCC1 173460465 SOUDXPFCNQJQGO-UHFFFAOYSA-N 221.369 3.536 30 20 BHED C=CCc1ccccc1OCCCCCOC 174092444 SZVIDAJUSIVHKJ-UHFFFAOYSA-N 234.339 3.611 30 20 BHED C=CCCCC(=O)Nc1ccc(SC)cc1 175160060 MWHLVOZQTKEQEL-UHFFFAOYSA-N 235.352 3.703 30 20 BHED Cc1occc1SCc1ccc(C#N)cc1 181286850 JHAFHWLKFLGPNM-UHFFFAOYSA-N 229.304 3.752 30 20 BHED Cc1ccc(NCc2ccc(C#N)c(F)c2)cc1 190329298 YXWUMJPMFDJLEG-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=CCCC(=O)O[C@@H](C)c1ccc(Cl)cc1 303180826 STLLKWRJXPUPAT-JTQLQIEISA-N 238.714 3.910 30 20 BHED CC(C)=NNc1c(Cl)cccc1Cl 306963835 LXCLHDPEROAXCK-UHFFFAOYSA-N 217.099 3.801 30 20 BHED CC(C)(CNc1ccc(C#N)cn1)C1=CCCC1 312505087 HUUYSKUUMPDLCA-UHFFFAOYSA-N 241.338 3.502 30 20 BHED C[C@@H]1CC(C)(C)C[C@H]1NCC(C)(C)CCC#N 348244225 NAWVPCAEVDVECA-CHWSQXEVSA-N 236.403 3.731 30 20 BHED C=C[C@H](C)NC(=O)Nc1c(CC)cccc1CC 362629555 AAMZRMGZZMRQJA-NSHDSACASA-N 246.354 3.507 30 20 BHED C=CCCCC(=O)N1CCCC12CCCCC2 366896534 OXMMUKNGNMPBHN-UHFFFAOYSA-N 235.371 3.668 30 20 BHED C=CCCCCN[C@H]1CCC[C@@H]1CCCF 381622022 CVTGBRYCDHMXIB-KGLIPLIRSA-N 227.367 3.851 30 20 BHED C=CC[C@H](CC)NC(=O)[C@H](C)c1cccc(C)c1 410127700 CLDMEUOHNZHSBM-HIFRSBDPSA-N 245.366 3.569 30 20 BHED C=C[C@](C)(CC)C(=O)N(CC)Cc1occc1C 412798656 JPNNDXQCJCJBAZ-OAHLLOKOSA-N 249.354 3.539 30 20 BHED C[C@@H](CCC#N)N[C@H](C)c1ccc(C2CC2)cc1 419341250 ODNQSUHZDFRMDV-QWHCGFSZSA-N 242.366 3.907 30 20 BHED CCC(CC)(CC)NCc1ccc(F)cc1C#N 440736310 PTGRADJSBCZSII-UHFFFAOYSA-N 248.345 3.756 30 20 BHED CC[C@]1(C)CCN([C@@H](C)c2cccc(C#N)c2)C1 442680937 OHJBDTCHIWVSGG-XJKSGUPXSA-N 242.366 3.741 30 20 BHED CCC(CC)N[C@@H](CC)c1ccc(C#N)cc1 447513980 AEFYHUXYLQSAIB-HNNXBMFYSA-N 230.355 3.788 30 20 BHED C[C@H]1C[C@@H](C)C[C@H](NC2CCC(C)(C#N)CC2)C1 449158973 WONGLPKWDXMDQU-AURRFLRISA-N 248.414 3.873 30 20 BHED C=C(C)CN1C[C@H](C)C[C@H]1c1ccccc1F 464724840 KDVTYYVHURKEHT-DOMZBBRYSA-N 233.330 3.785 30 20 BHED C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC[C@@H]1C 467948864 MHQVBZSXVCJVQT-GZBFAFLISA-N 237.387 3.531 30 20 BHED C=CCCCC(=O)NCC[C@H](C)CC(C)(C)C 468080047 PXOIHCZKGNMLAX-ZDUSSCGKSA-N 239.403 3.921 30 20 BHED C=CCN(CCCCC)CCc1ccco1 491342622 JYWQLYOMHUSZDM-UHFFFAOYSA-N 221.344 3.500 30 20 BHED C=CC1CCN([C@H](C)CCc2ccccc2)CC1 523609329 IHJSLLXIHSJBBG-OAHLLOKOSA-N 243.394 3.906 30 20 BHED C=C(C)CN(CC)Cc1ccc(C(C)C)nc1C 555294982 LRWXOLXMWXDALH-UHFFFAOYSA-N 246.398 3.911 30 20 BHED C=C[C@](C)(CC)c1nc(-c2cccc(F)c2)no1 582146799 JVSSYCYKABTCGH-CQSZACIVSA-N 246.285 3.729 30 20 BHED C=CCCSCCN[C@H]1CCc2ccccc21 594708721 CCWIRLAHNYMUKV-HNNXBMFYSA-N 247.407 3.573 30 20 BHED CC(C)(CCC#N)CN[C@H]1[C@@H]2CCC[C@@H]2C1(C)C 595052764 VLKUXBVWRMWWCV-RDBSUJKOSA-N 248.414 3.731 30 20 BHED C=CCC[C@H](CC)NCC1(SCC)CC1 595102040 YNJSCVZLCHRULH-LBPRGKRZSA-N 227.417 3.607 30 20 BHED CCc1ccc(CN(C)C[C@H](C)CCC#N)cc1 602434961 RDSCNKZPHRTKAI-CQSZACIVSA-N 244.382 3.621 30 20 BHED CC1=CCC[C@H](C)[C@H]1CN1CCC[C@](C)(C#N)C1 615506947 NYJRSBCDPXNYHU-HRCADAONSA-N 246.398 3.604 30 20 BHED C[C@H](CC(C)(C)C#N)N[C@H](C)c1ccsc1 695786509 HVJWHJIYEUGUGE-GHMZBOCLSA-N 236.384 3.727 30 20 BHED C=CCNC(=O)[C@@](C)(CC)CCCCCC 742465384 LRULOPRCSGZYEK-AWEZNQCLSA-N 225.376 3.675 30 20 BHED C#C[C@H](CC)NC(=O)[C@H](CCC)CC1CCCC1 754683386 WKTMRFUHJHKMHT-HUUCEWRRSA-N 249.398 3.511 30 20 BHED CC[C@@H](C)c1ccc(C(=O)OCCCC#N)cc1 756521515 DIRXPZZFJVVLKB-GFCCVEGCSA-N 245.322 3.661 30 20 BHED Clc1cccc(CNN=CC2CCCC2)c1 756826582 BJDYQEKSFHBSSJ-UHFFFAOYSA-N 236.746 3.606 30 20 BHED C#CCCNc1ccc(F)cc1OC1CCCC1 760305615 VDEALKHJSMSCHG-UHFFFAOYSA-N 247.313 3.582 30 20 BHED CC[C@H]1CCCC1=NNCCc1ccccc1F 764724932 YZPLIEWHBOIJOT-LBPRGKRZSA-N 248.345 3.524 30 20 BHED C=CC[C@H](C)[C@@H](C)Nc1cccc(OC)c1F 769987295 SMFVQTILBMHUKO-WDEREUQCSA-N 237.318 3.847 30 20 BHED C=C(C)CN(CC)Cc1ccc(CF)cc1 777543701 NYNZQBGKPFOWSP-UHFFFAOYSA-N 221.319 3.554 30 20 BHED CC[C@H](C)NN=C1CC[C@H](C)C[C@H]1CC 790191875 ZAAHBBXQALQJEP-SDDRHHMPSA-N 210.365 3.577 30 20 BHED CC[C@H](C)CON=C[C@@H]1CCOc2ccccc21 793158477 HGHKWLAEBQVJLA-STQMWFEESA-N 247.338 3.601 30 20 BHED Fc1cccc(NN=C2CCC[C@@H](C3CC3)C2)n1 795006604 DJMCMQSKBFUQAY-LLVKDONJSA-N 247.317 3.589 30 20 BHED C=CCOC(=O)[C@H](c1ccccc1)[C@H](C)CC 807314841 FCGMBDIDJXBVNC-OCCSQVGLSA-N 232.323 3.546 30 20 BHED COCCCON=C1CCC2(CCCC2)CC1 811650237 QYVJUGNUNBLNBH-UHFFFAOYSA-N 239.359 3.530 30 20 BHED CC1(C)CCC(C=NOC/C=C\Cl)CC1 811669900 WEYWABKVQAMBFK-YGPGCOJDSA-N 229.751 3.958 30 20 BHED CCC(C=NNc1ccnc(F)c1)(CC)CC 814902414 MOZBDTHVVUAIDA-UHFFFAOYSA-N 237.322 3.835 30 20 BHED C=CCC1(NC(=O)/C=C(\C)C2CC2)CCCCC1 836956572 IOCCTGZENGEIRV-OUKQBFOZSA-N 247.382 3.738 30 20 BHED C(=NOCC1CCC1)[C@@H]1C[C@@H]1c1ccccc1 853439448 JNQYSSQWPIUVDG-LSDHHAIUSA-N 229.323 3.593 30 20 BHED Cc1ccc(NN=Cc2cccs2)cc1 916249955 GETGZLYMVOBXKI-UHFFFAOYSA-N 216.309 3.503 30 20 BHED C=C(C)CCC(=O)Nc1cc(OC)c(C)cc1C 1262622620 BCLQCTFRXAMXMF-UHFFFAOYSA-N 247.338 3.607 30 20 BHED CCNc1ccc(C#N)cc1NCCC(C)(C)C 1338649007 IOMSUVUVGREQOK-UHFFFAOYSA-N 245.370 3.838 30 20 BHED C=C(CC)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 1520761660 QPWOGOCMCKBZJB-HNNXBMFYSA-N 243.350 3.529 30 20 BHED C[C@H](Nc1ncccc1C#N)C1CCCCCC1 1651731791 QFBVOAAWSKVCLC-LBPRGKRZSA-N 243.354 3.724 30 20 BHED CC[C@H](C)C[C@H](C)Nc1snc(C)c1C#N 86254772 PCRKYUDCVNLAGP-IUCAKERBSA-N 237.372 3.560 30 20 BHED N#CC1(CCOc2ccccc2)CCCCC1 87929935 JUQUNUVDMJWBSK-UHFFFAOYSA-N 229.323 3.930 30 20 BHED C[C@H]1CCCC[C@H]1Nc1ccc(Cl)c(C#N)n1 110079296 DUHUJIGLSGJFAM-GXSJLCMTSA-N 249.745 3.597 30 20 BHED O=C(/C=C/c1ccc(F)cc1)c1ccccc1F 119851555 WBWNLFXFNNQXKT-JXMROGBWSA-N 244.240 3.861 30 20 BHED C#C[C@H](C)N[C@H](Cc1ccccc1)c1ccccc1 123008602 QYBAQOGFBPATAX-MAUKXSAKSA-N 249.357 3.582 30 20 BHED N#Cc1c(F)cccc1Sc1cccc(O)c1 130426556 APUMFQRKRXZZDW-UHFFFAOYSA-N 245.278 3.554 30 20 BHED C#CCCCCNC(=O)C[C@@H](C)CCCCC 156654017 QYDKVFSQAMQXAL-AWEZNQCLSA-N 237.387 3.513 30 20 BHED C=C[C@H](C)N[C@H]1CCCc2c1[nH]c1ccccc21 159749250 XBVYOGRVGDMBCO-NHYWBVRUSA-N 240.350 3.709 30 20 BHED C=CCCCC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 176075549 SPVFUZQHGFDZSS-CZUORRHYSA-N 243.350 3.562 30 20 BHED C=C[C@@](C)(CC)C(=O)N(C)C1CCC(C)CC1 191824830 BACWMWGPBPCZBV-PIMMBPRGSA-N 237.387 3.626 30 20 BHED C=C[C@H](C)N[C@H](C)c1csc(Cl)c1 230410459 RLOHSAIWFPTXTO-JGVFFNPUSA-N 215.749 3.627 30 20 BHED CCC(CC)c1noc(-c2ccc(C#N)cc2)n1 274099474 ZCSDNQSCKXOVOF-UHFFFAOYSA-N 241.294 3.512 30 20 BHED C=CCN(CCC#N)[C@H](CC)c1ccc(F)cc1 292100130 GJJBGNPRXRYSRX-OAHLLOKOSA-N 246.329 3.678 30 20 BHED C=CC[C@@H](CC)NCc1ccc(Cl)cc1F 309410703 BSOVFNRKGRTZSM-GFCCVEGCSA-N 241.737 3.923 30 20 BHED C=CCC(C)(C)c1noc([C@@H]2CC[C@@H](C)C2)n1 340782023 WKGVHNFVJISRBR-GHMZBOCLSA-N 234.343 3.827 30 20 BHED C=C[C@H](C)N[C@@H]1CCC[C@H](c2ncccc2C)C1 343454646 KJLRPGRQVHRAQU-SOUVJXGZSA-N 244.382 3.580 30 20 BHED C=CCCCCCSCCn1ccnc1C 362452255 GNERVHOMLAFAQW-UHFFFAOYSA-N 238.400 3.671 30 20 BHED C=C(C)CCN[C@H](C)c1ccc(OCC)cc1 386767001 JQXNBMNULWZUFH-CYBMUJFWSA-N 233.355 3.702 30 20 BHED C=CC[C@H](C)[C@H](C)N[C@@H](C)CC(F)(F)F 389923324 UAEHONZNLLHQDJ-GUBZILKMSA-N 223.282 3.518 30 20 BHED C[C@@H](CN1CCC(CC#N)CC1)C1CCCCC1 397188522 NSAYXBCOAGXZSU-AWEZNQCLSA-N 248.414 3.828 30 20 BHED C=CCC[C@@H](NCc1ccc(C)c(C)n1)C1CC1 414165711 MKKRPYJMVWXQHD-MRXNPFEDSA-N 244.382 3.533 30 20 BHED CC[C@H](C#N)S[C@@H](C)c1ccc(F)cc1 436053477 UCACKZLGTFXDBS-JOYOIKCWSA-N 223.316 3.922 30 20 BHED C=CCCCC[C@H](C)NC[C@@H]1CCC[C@H]1OC 449199982 CXQLKFGUEIZMOH-SOUVJXGZSA-N 239.403 3.526 30 20 BHED CCC[C@H](N[C@@H]1CC[C@@H](C#N)C1)C1CCCC1 449246406 BQIREXNXUUYOKR-YUELXQCFSA-N 234.387 3.627 30 20 BHED C=CCC1(NC(=O)[C@@H]2CC=CCC2)CCCCC1 456376671 FIJPATPCAMVTSH-CQSZACIVSA-N 247.382 3.738 30 20 BHED C=CCC[C@@H](CC)Nc1cc(C#N)ccc1OC 461875645 ILFZFIGCEPALLC-CYBMUJFWSA-N 244.338 3.724 30 20 BHED C=CCCC(=O)N1CC[C@@H](C)C2(CCCCC2)C1 463040203 DEXQKSNKLVYSQC-CQSZACIVSA-N 249.398 3.772 30 20 BHED C=CCSC[C@@H]1CCC2(CCCCC2)O1 466732080 XJAAXVGRFJYGLG-LBPRGKRZSA-N 226.385 3.788 30 20 BHED C=C(C)CCc1noc(C[C@@H]2CC[C@@H](C)C2)n1 508675929 BPUNTPHLEWLJGM-VXGBXAGGSA-N 234.343 3.557 30 20 BHED C=CCN1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 523448292 RIXNNLJWZHCNGG-GDBMZVCRSA-N 229.367 3.954 30 20 BHED C=CCCCC[C@@H](C)NCc1ccccc1OC 553612373 YUHZZRDSIIACTC-CQSZACIVSA-N 247.382 3.920 30 20 BHED C=C[C@@](C)(CC)C(=O)NCC1(C)CCCCC1 569162061 IKXXLWMSSVYLOJ-HNNXBMFYSA-N 237.387 3.675 30 20 BHED C=CCC(C)(C)C(=O)N1CCC[C@](C)(CC)C1 573945112 RRDAIEAIJBACAZ-HNNXBMFYSA-N 237.387 3.627 30 20 BHED C=CCCCCNc1ccc(F)c(C(C)=O)c1 582044788 RHFAZVFTDINBHI-UHFFFAOYSA-N 235.302 3.797 30 20 BHED Cc1occc1CNc1c(Cl)cccc1C#N 610275720 SOLBZSPORHRUDA-UHFFFAOYSA-N 246.697 3.725 30 20 BHED C=CC[C@H]1CCCC[C@H]1NCCCC(F)F 688711936 IYXLUOAUHCYAFI-NWDGAFQWSA-N 231.330 3.756 30 20 BHED C#CCCCCC(=O)N(CC(C)C)C1CCCC1 692865442 MHLITLZYGRSHEA-UHFFFAOYSA-N 249.398 3.607 30 20 BHED C#C[C@@H](C)N(C)Cc1cc2cc(C)c(C)cc2o1 775178335 GVVVNJSPAQLZHG-CYBMUJFWSA-N 241.334 3.503 30 20 BHED C#CCCCCN[C@H]1c2ccccc2CC[C@@H]1C 775416884 ZJFVCIIFUNXCIZ-WMLDXEAASA-N 241.378 3.703 30 20 BHED C=C(CC)CSCC(=O)OC1CCCCC1 783471613 CSSXTFIQYVADAW-UHFFFAOYSA-N 242.384 3.562 30 20 BHED Cc1cc(C)cc(NN=Cc2cc(C)ns2)c1 785451813 WQGPIWVPAFDSNO-UHFFFAOYSA-N 245.351 3.514 30 20 BHED CC[C@@H](C)NN=C(C)CCc1cccc(C)c1 790188074 DIQAAKVOQBXJPZ-CYBMUJFWSA-N 232.371 3.692 30 20 BHED CC[C@H](C)CON=C(C)CCc1ccco1 793164062 REIWTNQWRINFAZ-NSHDSACASA-N 223.316 3.651 30 20 BHED Cc1ccc(F)c(NN=C2CCC23CCC3)c1 799881434 QEQYZISIMKPWNA-UHFFFAOYSA-N 232.302 3.866 30 20 BHED C[C@@H]1CCCC(=NOC/C=C/Cl)[C@@H]1C 811669726 SURKOADWKPLAPM-ZZUDKIRFSA-N 215.724 3.568 30 20 BHED CCC(Cc1ccccc1)=NOCCC1CC1 814247261 YKEWCUHXYMAWDK-UHFFFAOYSA-N 231.339 3.812 30 20 BHED C=CCCCCOc1ccc(C(C)(C)O)cc1 842037617 HFPFPQNJUCGYAY-UHFFFAOYSA-N 234.339 3.649 30 20 BHED CCCCCCCSCc1nnc(C)o1 842193969 LSPWIEDAUHJIJZ-UHFFFAOYSA-N 228.361 3.582 30 20 BHED C=C1CCC(C(=O)N2CCCC[C@@H]2C(C)C)CC1 889035453 PCVIGJMOZPDYFW-OAHLLOKOSA-N 249.398 3.770 30 20 BHED CC(C)(C)ON=Cc1ccc2occc2c1 1117102635 IODQBYUUBUVZRA-UHFFFAOYSA-N 217.268 3.582 30 20 BHED C=C(C)COC(=O)[C@H](C)CC1CCCCC1 1318499428 TYDGZXQKZMDJAQ-GFCCVEGCSA-N 224.344 3.712 30 20 BHED CC(Cc1cccc(F)c1)=NOC(C)(C)C 1319582308 DXQMIEMYQGVUKR-UHFFFAOYSA-N 223.291 3.559 30 20 BHED C=CCCCCCN(C)[C@H]1CC[C@H](SC)C1 1321326609 NGVJAIAPIZQYMJ-KBPBESRZSA-N 241.444 3.949 30 20 BHED CCC(=NOC(C)(C)C)c1ccccc1F 1325020241 GUNSXQATZDEVFY-UHFFFAOYSA-N 223.291 3.755 30 20 BHED CO[C@@H]1CCC[C@@H](Sc2ccc(C#N)cc2)C1 1458920104 VWUDGIMMZRPZIR-TZMCWYRMSA-N 247.363 3.608 30 20 BHED CC(C)(C)C[C@@H]1CCN(CC2(C#N)CC2)C1(C)C 1559903403 YPSZGLCHUAAHKF-ZDUSSCGKSA-N 248.414 3.827 30 20 BHED C=CCNc1nc(-c2ccc(C)s2)cs1 7643580 QCILYFOKRDZGPS-UHFFFAOYSA-N 236.365 3.778 30 20 BHED C=C(C)CN[C@@H](CC)c1ccc(Cl)cc1 96033117 YUGPRZACSCIDIA-ZDUSSCGKSA-N 223.747 3.957 30 20 BHED C=CCCC(=O)N1CCCCC[C@H]1CC(C)C 129650205 SQOVVKUFIPSGKG-AWEZNQCLSA-N 237.387 3.770 30 20 BHED C=CCCC(=O)N[C@H](CCC=C)c1ccccc1 133679840 UITQRIVPDAHDJR-OAHLLOKOSA-N 243.350 3.776 30 20 BHED Cc1cccc(COc2ccc(C#N)cc2F)c1 225241010 USMOCDMHSUYHFT-UHFFFAOYSA-N 241.265 3.585 30 20 BHED CC1(C)CN(CCCCC#N)[C@H]1c1cccs1 286969499 NWUZFSXRRFHHMF-ZDUSSCGKSA-N 248.395 3.825 30 20 BHED Cc1cccc(CS[C@H]2CC[C@H](C#N)C2)c1 295235900 UFJXFNUSGODXCK-JSGCOSHPSA-N 231.364 3.921 30 20 BHED Cc1cccc(C)c1/C=C\c1ccncc1C#N 349115951 YIURGMBEHYLQES-SREVYHEPSA-N 234.302 3.741 30 20 BHED C=CC[C@H](C)N[C@H]1CC(C)(C)Cc2occc21 358034474 HBKVNAXPRAFIPR-AAEUAGOBSA-N 233.355 3.847 30 20 BHED CC[C@@H](C#N)S[C@@H](C)c1cccs1 379365862 QELJXQZSDNICKC-IUCAKERBSA-N 211.355 3.844 30 20 BHED C=CCC(C)(C)CNc1ccc([N+](=O)[O-])s1 381624533 HWZFKKOQQHZIOF-UHFFFAOYSA-N 240.328 3.671 30 20 BHED C=CCC[C@H](C)NC(C1CCC1)C1CCC1 390672948 WCNDPILIAOWNRU-LBPRGKRZSA-N 221.388 3.900 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 424525710 AVRXKIHJFCWSCY-YNEHKIRRSA-N 237.387 3.530 30 20 BHED C=C(CC)CNCc1ccc(SC)s1 449734825 OMIHSSLINJNLEE-UHFFFAOYSA-N 227.398 3.526 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H](C)CCCC(C)C 467429717 ZZUGSSRFSFXBGM-UKRRQHHQSA-N 239.403 3.920 30 20 BHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@@H]1CC[C@@H](C#N)C1 471607775 YBWNRQQJOCSJFR-OXGONZEZSA-N 248.414 3.729 30 20 BHED C=C(C)CCc1noc(C2CCCCC2)n1 508644157 BAGQRXMGABZWQK-UHFFFAOYSA-N 220.316 3.626 30 20 BHED C=C(C)CCN1CCC[C@@H]2CCCC[C@H]21 509023849 YTXJDHWMBPGRDJ-UONOGXRCSA-N 207.361 3.607 30 20 BHED C=C(C)CCN(C)[C@@H](C)c1ccc(F)cc1 509797371 CCOGOVATPOZYAM-LBPRGKRZSA-N 221.319 3.785 30 20 BHED C=CCCC(=O)Nc1ccc(C)cc1OCCC 522578253 BXUUNXRHFQTZGA-UHFFFAOYSA-N 247.338 3.689 30 20 BHED C=C(CC)CN(Cc1ccccc1)C1CC1 536891771 UFAMFDNQRRPAQS-UHFFFAOYSA-N 215.340 3.617 30 20 BHED CCC[C@H](CN(CC#N)CCC)c1ccccc1 539365966 CADTVSZCBGBSAM-MRXNPFEDSA-N 244.382 3.806 30 20 BHED C=CC[C@H](C)N[C@H](Cc1ccccc1C)C1CC1 560246025 YNCFAZMGRBYXGG-WMLDXEAASA-N 243.394 3.870 30 20 BHED Cc1ccc(F)cc1NC(=O)CCCCCC#N 588146965 TXEILAVOCCSECQ-UHFFFAOYSA-N 248.301 3.547 30 20 BHED C[C@H](CCC#N)CN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 602512778 NFFWPDIHGVAWID-QKPAOTATSA-N 248.414 3.875 30 20 BHED CC[C@H](N[C@H]1CC[C@H](C#N)C1)C1CCCCC1 613667714 LWFVGLAPSJYNOS-QEJZJMRPSA-N 234.387 3.627 30 20 BHED C=CC[C@H](C)NC[C@@H](C)c1ccc(C)cc1 628216373 LOMORIJXOGEFLG-KGLIPLIRSA-N 217.356 3.653 30 20 BHED C=CC[C@H](C)C(C)=NNc1nc2ccccc2[nH]1 727777351 QDMIXNKFPXFDEZ-JTQLQIEISA-N 242.326 3.563 30 20 BHED CCCCCC(C)=NNc1ccc(F)cn1 731321847 RGDCFFLQILOYTP-UHFFFAOYSA-N 223.295 3.589 30 20 BHED C=CCCOC(=O)C[C@H](CC)CCCC 735400168 SDRAJWQKNSDUJT-GFCCVEGCSA-N 212.333 3.712 30 20 BHED CC(=NNc1cccc(F)c1)c1ccsc1 749105014 PYCHUFHGOKTJLQ-UHFFFAOYSA-N 234.299 3.723 30 20 BHED Cc1cccc(NN=C2CC(C)(C)OC2(C)C)c1 755871465 GEWRFVDYOWTFBT-UHFFFAOYSA-N 246.354 3.740 30 20 BHED C=CCN(Cc1cnc2ccccc2c1)C(C)C 768549962 HKANJKBBQNUXTL-UHFFFAOYSA-N 240.350 3.631 30 20 BHED C=CCCC[C@@H](C)NC(=O)/C=C/C(=C/C)CC 775923107 JCOBCKMTPMOANE-SVZGHMRVSA-N 235.371 3.760 30 20 BHED C=CCCN(C)C(=O)C(C)(C)CCCCC 786223639 PGQSAGOWCRROSM-UHFFFAOYSA-N 225.376 3.627 30 20 BHED Cc1cccnc1NN=C1CCC[C@H](C)[C@H]1C 790192882 JAFIORPXRGGYHS-CMPLNLGQSA-N 231.343 3.614 30 20 BHED C[C@H](NN=C1CCCC[C@H]1C)C(C)(C)C 793116891 VCCGMEZMGRZNDO-MNOVXSKESA-N 210.365 3.577 30 20 BHED CCC[C@H](C=NOCCCOC)c1ccccc1 795053436 NHTGBSHCCDKZFC-OAHLLOKOSA-N 249.354 3.609 30 20 BHED CC(=NOC/C=C\Cl)[C@H](C)c1ccccc1 811669700 RXXMDCLEJHBONL-ZJYLHHKPSA-N 237.730 3.935 30 20 BHED CCC(=NOC1CCC1)c1cc(F)ccc1F 812238039 KCOUSURQUOSWLT-UHFFFAOYSA-N 239.265 3.648 30 20 BHED C[C@H](CC=NOCCC1CC1)c1ccccc1 814245979 QDVLCVZHBQWWGN-CYBMUJFWSA-N 231.339 3.983 30 20 BHED CC(=NOCCC1CC1)c1ccc(F)cc1F 814246818 ZBZHWWGEDRHDRA-UHFFFAOYSA-N 239.265 3.506 30 20 BHED C=C(C)CCN[C@H]1CCc2cc(C)ccc21 834882200 LDYYGTDINUAZEQ-HNNXBMFYSA-N 215.340 3.538 30 20 BHED COCC1CCC(=NOC2CCCCC2)CC1 834971255 BQOAIKHYNJNVJG-UHFFFAOYSA-N 239.359 3.528 30 20 BHED C[C@@H]1CC=C(C(=O)O[C@@H](C)CC(C)(C)C#N)CC1 851206585 VAXIEWOBZAONAJ-NEPJUHHUSA-N 249.354 3.604 30 20 BHED N#C[C@@H]1CC[C@H](Nc2ccc(C(F)F)cc2)C1 897107254 RZEGKHIOCVMAFL-SKDRFNHKSA-N 236.265 3.728 30 20 BHED CC[C@@H]1CCN(CCCCC2(C#N)CCC2)C1 929824423 WQTCZQAFAYLOJR-CQSZACIVSA-N 234.387 3.582 30 20 BHED CCCCCCCSCc1ncnn1CC 1256059856 QCWUWMSYEXMFGB-UHFFFAOYSA-N 241.404 3.502 30 20 BHED C=CCC[C@H](CCC)NCCCC(F)F 1333781630 HZQDKZBEZLRKGY-NSHDSACASA-N 219.319 3.756 30 20 BHED N#CC1(CCCCN2CCCC23CCC3)CCC1 1341392524 JHKWRSJFMPIGOJ-UHFFFAOYSA-N 246.398 3.869 30 20 BHED COc1ccc(C#N)cc1NC[C@H](C)CC(C)C 1657716908 GOXJEGIVOBRXCP-GFCCVEGCSA-N 246.354 3.661 30 20 BHED C[C@@H](NCC1CCCCC1)c1ccc(C#N)cc1 37253137 LNJSUVVLRPJRPH-CYBMUJFWSA-N 242.366 3.789 30 20 BHED CC[C@@H](CC#N)N[C@@H](C)c1ccc2c(c1)CCC2 54183270 QURSDKRXZSPWNQ-LRDDRELGSA-N 242.366 3.518 30 20 BHED C=CCN(Cc1ccc(C(C)C)cc1)C1CC1 57621525 ZDNHXPZJRWXRBQ-UHFFFAOYSA-N 229.367 3.960 30 20 BHED CC(C)(C#N)CCCN1CCC[C@H]1C1CCCC1 87608659 KNPZLGMDPHDXKA-HNNXBMFYSA-N 248.414 3.971 30 20 BHED C=CCCC(=O)Nc1cc(C(C)C)c(O)cc1C 88465163 DXWXXTCMUBTCQC-UHFFFAOYSA-N 247.338 3.729 30 20 BHED CC(C)Nc1ccccc1SC[C@H](C)C#N 88533389 AMFAPDUFNCVTSF-LLVKDONJSA-N 234.368 3.759 30 20 BHED C=C(C)CN(CC)Cc1nc2ccccc2s1 96954686 PKMMXQFGGSSEPU-UHFFFAOYSA-N 246.379 3.694 30 20 BHED C=C[C@H](C)N[C@@H](CC)c1cc(F)ccc1F 122960374 KEJSJTMWAHQSCX-ZANVPECISA-N 225.282 3.580 30 20 BHED CC[C@@H](C)N(C)Cc1ccccc1C(C)(C)C#N 135180007 FOGKHIJTNNXILS-CYBMUJFWSA-N 244.382 3.718 30 20 BHED CC(C)CCC(=O)CSc1cccc(C#N)c1 158740628 HNSAXWKDQUCWDE-UHFFFAOYSA-N 247.363 3.656 30 20 BHED CC(C)Cc1ccc(CNCC(C)(C)C#N)cc1 168938408 NEBHLRQVHGJXKU-UHFFFAOYSA-N 244.382 3.524 30 20 BHED CCC(CC)(CC)CN[C@H]1CCC[C@H](C#N)C1 185859008 JIQLRBHWGASXOE-KBPBESRZSA-N 236.403 3.875 30 20 BHED Cc1cc(C#N)ccc1CN(C(C)C)C1CCC1 186297051 JZMKJLZFEVZQPU-UHFFFAOYSA-N 242.366 3.630 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccccc1Cl 196737520 FCGZSWXDQIURDY-UHFFFAOYSA-N 237.730 3.881 30 20 BHED CC1(C)C[C@@H]1CNc1ccc(C#N)c(Cl)c1 226530730 AROJVQJRWHDBCV-SNVBAGLBSA-N 234.730 3.670 30 20 BHED CCC1(CNc2nccc(C)c2C#N)CCCC1 233010583 LNUNECKQOXOTCU-UHFFFAOYSA-N 243.354 3.644 30 20 BHED CC(=O)c1ccc(C#N)c(NCCC=C(C)C)c1 276682898 GAVJNJUEODLAIQ-UHFFFAOYSA-N 242.322 3.529 30 20 BHED C=C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1Cl 301597576 GUYOSJLIQHJWSQ-MRVPVSSYSA-N 240.690 3.543 30 20 BHED C=CCCCN[C@@H](C)Cc1cccc(Cl)c1 309387375 FFALJPLXNZPZTD-LBPRGKRZSA-N 237.774 3.827 30 20 BHED C=CCCCN[C@H](c1ccccc1)C(F)(F)F 310159617 LLKSZLDCTYXPJJ-GFCCVEGCSA-N 243.272 3.846 30 20 BHED C=CCCN(Cc1ccc(F)cc1)C(C)C 338548170 ZNXYIJRYNZSULI-UHFFFAOYSA-N 221.319 3.612 30 20 BHED CC[C@H]1CCC[C@@H]1Nc1ncc(C#N)cc1Cl 362560064 KCYNZDFVZNJWHM-JQWIXIFHSA-N 249.745 3.597 30 20 BHED C=CC[C@H](CC)NCc1ccnc2ccccc12 393799800 RPMQCBWJJQJMMJ-AWEZNQCLSA-N 240.350 3.679 30 20 BHED C=CCCC[C@@H](C)N[C@H]1CCc2c(O)cccc21 398191025 RLRHEVHZIGKWAR-DOMZBBRYSA-N 245.366 3.714 30 20 BHED C=CCCCC[C@@H](C)N[C@H](C)C1(OC)CCC1 414312575 WSXPYQWVLSNIMF-ZIAGYGMSSA-N 239.403 3.669 30 20 BHED COc1cc(C#N)ccc1CSCCC1CC1 437914976 AQKZNUNUJGYUTI-UHFFFAOYSA-N 247.363 3.600 30 20 BHED CC[C@H](N[C@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 447595550 AHJFGVWRXLNHEK-KCXAZCMYSA-N 242.366 3.788 30 20 BHED C=CCC[C@@H](CCC)NC[C@@](C)(OC)C1CC1 462820807 ZHUYOSCNXZNSIT-HUUCEWRRSA-N 239.403 3.526 30 20 BHED C=C[C@H](C)NC(=O)[C@@H](CCC)CC1CCCC1 465121674 SRRPBKMEIWBWPZ-JSGCOSHPSA-N 237.387 3.674 30 20 BHED C=CCCN(C)C(=O)C1(CC(C)C)CCCC1 466631713 BTTDEJARLODHBR-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CCN(CC=C)C[C@@H]1CCC2(CCCCC2)O1 467201984 PLRMHCDIUBRSTF-HNNXBMFYSA-N 249.398 3.542 30 20 BHED C[C@H](c1ccccc1)N(CC#N)c1ccccc1 468504244 IQRPWTDUIAPJLW-CQSZACIVSA-N 236.318 3.778 30 20 BHED C=CCC(C)(C)CNC(=O)[C@H]1CCCC1(C)C 489978254 LRDUTQQZJQKYRV-GFCCVEGCSA-N 237.387 3.531 30 20 BHED C=C(CC)CN(C)C/C(C)=C/c1ccccc1 494293688 RNSSALWYQZRIOW-RVDMUPIBSA-N 229.367 3.988 30 20 BHED C=C(C)CCSc1ncc(C(C)C)n1C 505531868 HCDLZURAAFBJPJ-UHFFFAOYSA-N 224.373 3.602 30 20 BHED C=CCCCCN[C@@H](C)c1ccc2n[nH]cc2c1 556258540 CRAWEKONGUAWIO-LBPRGKRZSA-N 243.354 3.570 30 20 BHED C=CCC[C@H](CC)NCCC1(CSC)CC1 595074983 VRPYFDOURCDFHY-ZDUSSCGKSA-N 241.444 3.854 30 20 BHED C=CC1CCN(C(=O)C[C@H]2CCCC[C@@H]2C)CC1 599686264 VLGXXTPLZJFCPR-DZGCQCFKSA-N 249.398 3.627 30 20 BHED C=CCCCN(CC=C)CCc1ccccc1 605150213 KZPVFZKEJRNZLG-UHFFFAOYSA-N 229.367 3.683 30 20 BHED N#Cc1cccc(NCCCC2CCCCC2)n1 609891753 KAEHCOUIRXHWGM-UHFFFAOYSA-N 243.354 3.726 30 20 BHED CC#CCCN(Cc1ccsc1)C(C)(C)C 661136403 QSCWPEVPJSSQQZ-UHFFFAOYSA-N 235.396 3.762 30 20 BHED Cc1cccc(NN=Cc2cccc(F)c2F)c1 730721188 BGHVXZLFQBRDTP-UHFFFAOYSA-N 246.260 3.719 30 20 BHED C#CCNC(=O)[C@@](C)(CCC)CCCCCC 742485707 GMMVMBMYNXPTPG-HNNXBMFYSA-N 237.387 3.513 30 20 BHED Cc1cc(/C=C\C(=O)c2ccco2)cnc1Cl 769769787 CJDNFZQBGRPZGT-PLNGDYQASA-N 247.681 3.533 30 20 BHED CC[C@@H]1CCCC1=NOC1CCCCC1 777457441 VDOGGPUTAOZSMZ-LLVKDONJSA-N 209.333 3.902 30 20 BHED C#CCCCCCC(=O)N1CCC[C@H]1C(C)(C)C 779917892 TVWGDLDDUFTTQV-AWEZNQCLSA-N 249.398 3.607 30 20 BHED C=CCCC[C@@H](C)NC(=O)C1(F)CCCCC1 810910538 PBFSPWNLGHKFTE-GFCCVEGCSA-N 241.350 3.520 30 20 BHED CC1(C)CC(=NNc2ccccc2Cl)C1 814691119 NQFHKOKQLSHHCU-UHFFFAOYSA-N 222.719 3.928 30 20 BHED CCCCCCC[C@H](C)NC(CF)CF 824554616 INHTUUUSAGKIPC-NSHDSACASA-N 221.335 3.633 30 20 BHED CCC[C@H](CC(C)C)C(=O)O[C@@H](CC)CC#N 835341596 WGUKOEZRMFAWFK-OLZOCXBDSA-N 239.359 3.684 30 20 BHED C#CCCCN(C)[C@@H]1CCC[C@@H]1c1ccccc1 839172059 BHLQVSXNAJYPCM-IAGOWNOFSA-N 241.378 3.668 30 20 BHED C=CCCC(C)(C)NC(=O)C=C(C1CC1)C1CC1 856373911 DXRAUAWMADNIGO-UHFFFAOYSA-N 247.382 3.594 30 20 BHED CCC(C=NN[C@H](C)c1ccccc1)CC 920386120 QOHVPQXZTMTNIW-GFCCVEGCSA-N 218.344 3.759 30 20 BHED Cc1ccc(C)c([C@H](C)N[C@H]2CC[C@@H](C#N)C2)c1 1254650360 ZRQITGVJWLGOLV-ZNMIVQPWSA-N 242.366 3.646 30 20 BHED C=C(C)CCC(=O)N(Cc1ccccc1)C1CC1 1336135396 ZGRURBKQLIOPKI-UHFFFAOYSA-N 243.350 3.534 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)C[C@H]1C=CCCC1 1336760182 PDFSMQZYBPTTCE-LSDHHAIUSA-N 247.382 3.690 30 20 BHED C=C(CC)C(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 1346246602 IOUXILATYZQLON-YPMHNXCESA-N 247.338 3.545 30 20 BHED CCc1ccccc1NCc1cccc(C#N)c1 19956450 XETGUEABVBZGBQ-UHFFFAOYSA-N 236.318 3.733 30 20 BHED C=C(C)CNc1cc(C(F)(F)F)ccc1F 62656387 YFIQRLZSJVARPU-UHFFFAOYSA-N 233.208 3.833 30 20 BHED C#CCCNc1ccc(Cl)c(C(F)(F)F)c1 82496868 LMIZVFGSYUPYOB-UHFFFAOYSA-N 247.647 3.794 30 20 BHED CCCCCC[C@H](C)NCC1(CC#N)CC1 83853976 KQTKMIFUAYNDAW-ZDUSSCGKSA-N 222.376 3.629 30 20 BHED Cc1ccccc1[C@@H](NCCCCC#N)C(C)C 91319631 WGNBGBWJQGUSEH-INIZCTEOSA-N 244.382 3.976 30 20 BHED C=C[C@H](C)N[C@H](C)c1cccc(C)c1C 122956697 QDKZGBUXWAXKMY-WCQYABFASA-N 203.329 3.529 30 20 BHED C=CCC[C@@H](C)Nc1ccc(OCC)cc1 126887808 OCZIXOMDFUXIEP-GFCCVEGCSA-N 219.328 3.852 30 20 BHED C=CC[C@@H](C)N[C@H](C)c1ccccc1C 132207488 OYOCKUCISGYFQW-CHWSQXEVSA-N 203.329 3.610 30 20 BHED C[C@H](NCc1ccc(C#N)s1)c1cccs1 135495193 LSFPGKYLUKFHHA-VIFPVBQESA-N 248.376 3.532 30 20 BHED C=CCCNC(=O)[C@@H](c1ccccc1)[C@H](C)CC 162260641 WOJKODZOVJCJKQ-UKRRQHHQSA-N 245.366 3.509 30 20 BHED C=CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CCC 176047211 FLRIUABTKRCMQC-KGLIPLIRSA-N 237.387 3.770 30 20 BHED CCC[C@H](Cc1ccccc1)NCCCCC#N 178644000 NTFFRVSKKKVLPJ-MRXNPFEDSA-N 244.382 3.681 30 20 BHED C=CCCCN1C[C@@H]2CCC(=O)c3cccc1c32 184778980 QSFMIVFLXRJYMU-LBPRGKRZSA-N 241.334 3.533 30 20 BHED C=CCCCCCN[C@@H](C)c1cccc(O)c1 193495249 JQIAQQPFURWEIE-ZDUSSCGKSA-N 233.355 3.789 30 20 BHED CCCCCCCCC(=O)N1CC=CCC1 221336722 GVPTVZZKQHHZMM-UHFFFAOYSA-N 223.360 3.526 30 20 BHED CC[C@@H](C)CSCCOc1ccc(C#N)cc1 229045376 JXHRGEKZMSAQCL-GFCCVEGCSA-N 249.379 3.716 30 20 BHED C=CCN(C)Cc1ccc(Cl)c(Cl)c1 302734817 BUZUOGAODHILEG-UHFFFAOYSA-N 230.138 3.611 30 20 BHED C=CC[C@H](CC)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 309068156 ALFHZLVPIIIMEW-RFQIPJPRSA-N 209.377 3.755 30 20 BHED C=C[C@H](C)N[C@@H](C)c1cc(Cl)cc(C)c1O 309608877 ZJQYTEMWFGSMLK-UWVGGRQHSA-N 239.746 3.579 30 20 BHED CC(C)C[C@H](C)CN(CCC#N)Cc1ccco1 337197389 XBLAWZPROOOCKH-AWEZNQCLSA-N 248.370 3.677 30 20 BHED CCC1(C)CCN(Cc2cc(C#N)cs2)CC1 353120147 AFOGNWMBWIEMKA-UHFFFAOYSA-N 248.395 3.632 30 20 BHED C=CCCc1nc([C@@H](C)c2ccccc2C)no1 357699366 COTRGVPBNHZZAD-LBPRGKRZSA-N 242.322 3.648 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCc2c(F)cccc21 393771390 HINPXPGJTLGZOO-XHDPSFHLSA-N 233.330 3.757 30 20 BHED C[C@H](N[C@H](C)CCC1CC1)c1cccc(C#N)c1 398110604 YIWRKXZSIFIUBO-OLZOCXBDSA-N 242.366 3.788 30 20 BHED Cc1cc(C)cc([C@H](C)NCC2(CC#N)CC2)c1 430762207 NVTGFUMLGHLXKB-AWEZNQCLSA-N 242.366 3.648 30 20 BHED CC(C)[C@H]1N(c2cccc(F)c2C#N)CC1(C)C 431478264 QUBQSKIJLAZDBZ-CQSZACIVSA-N 246.329 3.568 30 20 BHED C=C(C)CN(C)C(=O)Nc1ccc(CC)c(C)c1 481354863 ZEFLBSORKPXUGR-UHFFFAOYSA-N 246.354 3.597 30 20 BHED C=CC[C@H](C)N[C@@H]1c2cc(C)ccc2C[C@H]1C 494038921 NGBNXFHBVQZGQF-WWGRRREGSA-N 229.367 3.783 30 20 BHED CCCN(CCC(C)C)Cc1ccc(C#N)cc1 515246117 AJMVXQFSKQZNPA-UHFFFAOYSA-N 244.382 3.816 30 20 BHED C=CCCC[C@H](C)NC(=O)c1c(C)cccc1C 539436119 LXLNAPJPLBACTL-AWEZNQCLSA-N 245.366 3.778 30 20 BHED CC(C)N(CC1(C#N)CC1)c1ccc(Cl)cc1 539454646 NDJYUDHYWIUIIF-UHFFFAOYSA-N 248.757 3.859 30 20 BHED CC[C@@H](C)[C@@H]1CCCCN1CCC(C)(C)C#N 540665574 RNWPENCXNXNCDG-KGLIPLIRSA-N 236.403 3.827 30 20 BHED C=CCC[C@H](C)NCCC1CCC(OC)CC1 541764689 JYQJBBVRGNQQFE-NFOMZHRRSA-N 239.403 3.526 30 20 BHED CC[C@@H]1CCC[C@H](CN(CCC#N)C(C)C)C1 543395148 UDOKDSAYRASDPD-CABCVRRESA-N 236.403 3.827 30 20 BHED CC(C)c1ccc([C@H](C)N2CC(C)(C#N)C2)cc1 574475252 HYGFKICHNMXMSW-ZDUSSCGKSA-N 242.366 3.716 30 20 BHED C=CCCN(CC)c1cc(C)ccc1C 606897112 RMMCYXDQPDSWNL-UHFFFAOYSA-N 203.329 3.706 30 20 BHED C=CCCN1C[C@H](C)C[C@H]1c1ccccc1F 608502330 BIKQYTXTFSMCIG-DOMZBBRYSA-N 233.330 3.785 30 20 BHED C=CCN(C(=O)CC(C)(C)CC)C(C)(C)C 622944554 XFVFGEZFMZVFQY-UHFFFAOYSA-N 225.376 3.626 30 20 BHED C=CCC[C@H](CC)N[C@@H](C)c1cnc(C)s1 631706112 BALFACJCTNURAI-JQWIXIFHSA-N 238.400 3.847 30 20 BHED CC(=NNc1ccc(Cl)cc1)C1CCC1 747624234 KURVAGBZFWLNPN-UHFFFAOYSA-N 222.719 3.928 30 20 BHED CCCCCC=NNc1ccc(C#N)cc1 755651813 OPKMCGIAWHPTRF-UHFFFAOYSA-N 215.300 3.536 30 20 BHED CCC(=NNc1cc(C)ccn1)c1ccccc1 755900109 JYTOZPILZMVHGM-UHFFFAOYSA-N 239.322 3.616 30 20 BHED CC(CC1CCC1)=NNc1ccc(C#N)cc1 758372300 LLKNYFYLDJUHME-UHFFFAOYSA-N 227.311 3.536 30 20 BHED C#CC[C@@H](N[C@H](C)c1ccoc1)c1ccccc1 773117852 XNUDEMSYWALXNR-CZUORRHYSA-N 239.318 3.695 30 20 BHED C[C@H]1CCC(=NOCCC(F)(F)F)C[C@H]1C 777455592 JUUNNNNTZSUZBC-DTWKUNHWSA-N 237.265 3.768 30 20 BHED O=C(/C=C\c1ccsc1)c1ccnc(Cl)c1 779459592 CTABWTJSHIFJGP-UPHRSURJSA-N 249.722 3.693 30 20 BHED C=CCCCCCSc1ccc(Cl)nn1 783113650 SJGIVCMAKNBGFI-UHFFFAOYSA-N 242.775 3.969 30 20 BHED CON=C(C)[C@@H]1C[C@H]1c1ccc(Cl)s1 788424844 MKXZYIUCHDQWBW-JGVFFNPUSA-N 229.732 3.527 30 20 BHED C=C(CC)COC(=O)c1ccoc1C(C)C 796397014 RAIZUFGFRJVGKC-UHFFFAOYSA-N 222.284 3.526 30 20 BHED C=CCCC(C)=NOCc1ccccc1OC 799118561 LILYTOXGKDGCKK-UHFFFAOYSA-N 233.311 3.554 30 20 BHED CCCCC(CC)=NNCC1CCCC1 808006222 PWZYISFEEIITNE-UHFFFAOYSA-N 210.365 3.722 30 20 BHED CC(C)[C@@H]1CCCCC1=NOC/C=C/Cl 811670337 PUOVVYZQMJMTRU-IDHUCTTOSA-N 229.751 3.958 30 20 BHED C#CCOCSc1ccc(C(C)C)cc1 814740025 GIIJLLQMGICSRC-UHFFFAOYSA-N 220.337 3.509 30 20 BHED Cc1cc(CNc2cccc(CC#N)c2)c(C)o1 825148364 UKNCJHREPMDRKG-UHFFFAOYSA-N 240.306 3.575 30 20 BHED CC(=NOCC(F)(F)F)[C@H]1CCCC[C@H]1C 834965413 OYSAILGEALQLNG-SCZZXKLOSA-N 237.265 3.768 30 20 BHED C#CCCCCCC=NNc1ccnc(Cl)c1 853395118 LNELHKBEWGDTNE-UHFFFAOYSA-N 249.745 3.716 30 20 BHED C=CCCc1ccccc1NCc1ocnc1C 894668875 UATZJCLOJOUEHB-UHFFFAOYSA-N 242.322 3.714 30 20 BHED C=C[C@H](CC)CC(=O)O[C@@H](CC)c1ccncc1 905931106 MUBHKGWWXZNGDM-OCCSQVGLSA-N 247.338 3.678 30 20 BHED N#CC1(c2ccc(-c3cccnc3)cc2)CCC1 906163846 HNQUBWPWUXZKBM-UHFFFAOYSA-N 234.302 3.694 30 20 BHED CCCCCCCC(=O)N(CCC)CC1CC1 912574553 DGISYWDQZLPIDT-UHFFFAOYSA-N 239.403 3.996 30 20 BHED CCCCNN=C(C)c1cc(C)c(C)cc1C 915966001 JCJOJHHNMHGFJR-UHFFFAOYSA-N 232.371 3.726 30 20 BHED C(CCc1ccccc1)=NNc1ccccc1 916246065 XSBWUOAMXJJTCS-UHFFFAOYSA-N 224.307 3.717 30 20 BHED CC(=NNc1ccc(C)cc1)c1ccc(F)cc1 916250514 JVMQNVCWICQUKO-UHFFFAOYSA-N 242.297 3.970 30 20 BHED CCC(CC)(CC)Sc1cc(C#N)nc(C)n1 1163037319 PRKZDGXNLLBTIB-UHFFFAOYSA-N 249.383 3.718 30 20 BHED C[C@@H]1CCC[C@@H](C)C1N[C@H](C#N)c1ccccc1 1350375839 GBGPSZBZEZCCFS-UMVBOHGHSA-N 242.366 3.666 30 20 BHED Cc1cc(SCc2ccccn2)ccc1C#N 1459139739 DVOZQBFWGGEEQU-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C[C@H](C#N)CN(CCC1CCCCCC1)C1CC1 1642560537 XWNMUEVOJPXXHU-CQSZACIVSA-N 248.414 3.971 30 20 BHED CC(C)CCOc1ccc(C#N)c(Cl)c1 61851327 IOCVVJJSPPIALR-UHFFFAOYSA-N 223.703 3.637 30 20 BHED Cc1ccc(NCCC(C)(C)C#N)c(C)c1 83637428 FBYIAYYGAUGWEC-UHFFFAOYSA-N 216.328 3.655 30 20 BHED CC(C)S[C@H](C)c1ccc(C#N)cc1 118444283 XIHFFMACUTXBGP-SNVBAGLBSA-N 205.326 3.761 30 20 BHED CC[C@@H](C#N)SCc1ccc(C)c(C)c1 127813066 OKGHIDAINSDWAV-ZDUSSCGKSA-N 219.353 3.839 30 20 BHED C=CCC[C@@H](C)Nc1ccc(NC(=O)CC)cc1 130630488 BZWPEJNFVYEQHX-GFCCVEGCSA-N 246.354 3.802 30 20 BHED C=CCC(CC=C)C(=O)N1CC[C@@H](C)C[C@H](C)C1 157855539 ITPWSWHDEPTTLH-KGLIPLIRSA-N 249.398 3.649 30 20 BHED Cc1cccc2c1CCN2CCCC(C)(C)C#N 174835731 NQTLYXTWKIZFCR-UHFFFAOYSA-N 242.366 3.688 30 20 BHED C=CC[C@@H](C)N[C@@H](Cc1ccccc1)C1CC1 180946124 OCPBGIYPPDGXRB-CJNGLKHVSA-N 229.367 3.562 30 20 BHED Cc1c([C@H](NCC#N)C(C)C)oc2ccccc12 183256527 HNMHMNBVUAWZLO-CQSZACIVSA-N 242.322 3.552 30 20 BHED CCCCSCc1cccc(C#N)c1F 223563262 GGWWIIVFDFYUHF-UHFFFAOYSA-N 223.316 3.731 30 20 BHED CCC[C@H](CC)Nc1nccc(C#N)c1Cl 233345443 CQMNAEMALKLHSV-JTQLQIEISA-N 237.734 3.597 30 20 BHED CCCCCCCC(=O)N(C)c1ccc(C)cn1 288895704 IWXWHTBKBSGBFN-UHFFFAOYSA-N 248.370 3.713 30 20 BHED C#CCCCCN[C@@H]1CC[C@H]2CCCC[C@H]2C1 300413409 BTUZGUOQLSNHEY-OWCLPIDISA-N 233.399 3.738 30 20 BHED C=CCC(C)(C)CNc1nc2ccccc2[nH]1 310361846 UPRUQSRUBQVNOG-UHFFFAOYSA-N 229.327 3.577 30 20 BHED C=CCCCCC[C@@H](C)NC1CC(C)C1 380110342 OAWRHOLSTAODFX-ROKHWSDSSA-N 209.377 3.900 30 20 BHED CCCCCCCN[C@H](C)c1cc(C)on1 390523842 GBZZBOIKPSCPIV-GFCCVEGCSA-N 224.348 3.604 30 20 BHED C=CC(C)(C)CNC[C@@H](C)c1ccccc1 395394213 QEYCSYGDBXDMJB-CYBMUJFWSA-N 217.356 3.592 30 20 BHED C=CCC[C@H](C)NC[C@H](C)CC(F)(F)F 396913247 JLJIJLGLHCPDPM-ZJUUUORDSA-N 223.282 3.519 30 20 BHED CC(C)[C@H](NCC(C)(C)CC#N)c1ccccc1 414169408 RSXXBVSBFKWZIF-HNNXBMFYSA-N 244.382 3.913 30 20 BHED CC(C)(C#N)CCCCSC1CCC1 450985311 IJLXGJNMMPYGIV-UHFFFAOYSA-N 211.374 3.992 30 20 BHED C=CCC(C)(C)C(=O)N(C)[C@H]1CCC[C@H](C)C1 459979851 YSYDFBPBVDKIEM-STQMWFEESA-N 237.387 3.626 30 20 BHED C=C[C@H]1CCCCN1c1ccc(C#N)c(Cl)c1 486497747 LYUAXLZTAZFQHB-LBPRGKRZSA-N 246.741 3.757 30 20 BHED CCOc1ccc(C#N)cc1N[C@@H]1CC[C@H](C)C1 500994800 HUWQJZRNSDFMGA-WCQYABFASA-N 244.338 3.557 30 20 BHED C=CCCC[C@H](C)N[C@@H]1CCC[C@H]1CCOC 502395743 XXAXMOSIQBWZHT-SOUVJXGZSA-N 239.403 3.526 30 20 BHED N#CC1CCN(CCC2CCCCCC2)CC1 519795578 XRUMMFKGBUOGRF-UHFFFAOYSA-N 234.387 3.582 30 20 BHED CCC(CC)CN[C@@H](C)c1ccc(C#N)c(F)c1 538506775 YKDXVAWCMZMDBA-NSHDSACASA-N 248.345 3.784 30 20 BHED C=CCCC[C@H](C)NCC1Cc2ccccc2C1 555104369 WQUOKYDBKWUBQO-AWEZNQCLSA-N 243.394 3.736 30 20 BHED C[C@H](CCC#N)S[C@H]1CCc2ccccc2C1 573267759 RMDDNONOTDSSCI-DOMZBBRYSA-N 245.391 3.969 30 20 BHED C[C@H](c1ccccc1F)N1CCC[C@H](CC#N)C1 595610782 CCPPNUCKCYQGJV-CHWSQXEVSA-N 246.329 3.512 30 20 BHED CC[C@@H](CCc1ccccc1)NCCCCC#N 599027319 LPJTWQFWWKONHR-INIZCTEOSA-N 244.382 3.681 30 20 BHED CC(C)c1cnc(SCC(C)(C)CC#N)[nH]1 600584079 JKYOYFJNGLWPAH-UHFFFAOYSA-N 237.372 3.565 30 20 BHED C=CCCN1CC[C@H](C)c2ccccc21 606896097 SUULOJSCFMJBGN-LBPRGKRZSA-N 201.313 3.576 30 20 BHED Cc1occc1CNc1ccc(Cl)cc1C#N 609149947 ZKGMDXACILHJAB-UHFFFAOYSA-N 246.697 3.725 30 20 BHED CCCN(CCCC#N)Cc1ccc(C)cc1 611565429 CTWDCVHLRUDZCM-UHFFFAOYSA-N 230.355 3.511 30 20 BHED C=CCCCSCc1cc(C)ccn1 616302185 BQRUWFRAWNEONL-UHFFFAOYSA-N 207.342 3.589 30 20 BHED CC1(C)CCC[C@H](N[C@H]2CCC[C@@H](C#N)C2)C1 618577539 LOOPPLLLJZALCR-RDBSUJKOSA-N 234.387 3.627 30 20 BHED C=CCN(Cc1cccs1)CC1CCCC1 642619700 OJTFGTBZVMQTSX-UHFFFAOYSA-N 235.396 3.926 30 20 BHED C=CCC[C@H](NC[C@H](C)C1CC1)c1ccco1 671743817 VZOZXCQPUMBZSG-JSGCOSHPSA-N 233.355 3.923 30 20 BHED C=CCCCCCN1[C@H]2C=CC[C@H]1CC2 683784412 WLDJSWRLDDPFNL-KBPBESRZSA-N 205.345 3.526 30 20 BHED CCC(Cc1ccc(Cl)cc1Cl)=NOC 730947758 HTQZUNIVBDJSDX-UHFFFAOYSA-N 246.137 3.948 30 20 BHED Fc1cc(F)c(NN=CC2CCCC2)cc1F 741842244 IBCSCDJBMZVRAX-UHFFFAOYSA-N 242.244 3.692 30 20 BHED CC(=NOCC(F)(F)F)c1ccc(C)cc1C 764846373 HCDJHNVPSGSCCW-UHFFFAOYSA-N 245.244 3.606 30 20 BHED C=C(CC)CSCc1ccc2c(c1)COC2 778046073 XNIURHXYFXBGCW-UHFFFAOYSA-N 234.364 3.916 30 20 BHED C#CCCCCCC(=O)NCC1CCC(C)CC1 779861043 NEYONIXJEMZJCG-UHFFFAOYSA-N 249.398 3.513 30 20 BHED CC[C@@H]1CCC[C@@H](C=NNc2ccnc(F)c2)C1 783867719 SNICCKHPZOBPQB-VXGBXAGGSA-N 249.333 3.835 30 20 BHED CC(CC1CC1)=NNc1ccc(C#N)c(Cl)c1 783878128 PMNRKCDZWSZEGZ-UHFFFAOYSA-N 247.729 3.800 30 20 BHED CCC(CC)NN=C1CCC[C@H]1CCCF 800812827 MJNBKNPFQJZOBH-NSHDSACASA-N 228.355 3.670 30 20 BHED CCC1CCC(=NOC/C=C\Cl)CC1 811667876 FYIHEEHSPBXCAS-IIEBXSNQSA-N 215.724 3.712 30 20 BHED CCC(C=NNc1ccc(F)cn1)(CC)CC 814843081 YRCINXXIVGQLSC-UHFFFAOYSA-N 237.322 3.835 30 20 BHED C[C@H](NN=C1CCC[C@@H](C)[C@H]1C)c1ccncc1 819816982 TYTSZEFWDWOPPY-UPJWGTAASA-N 245.370 3.544 30 20 BHED C=CCCCCC(C)=NO[C@@H]1CCCCO1 834967004 RGMFTKVPOQILBL-CYBMUJFWSA-N 225.332 3.652 30 20 BHED CC(C)ON=C[C@@H](c1ccccc1)C(C)C 835001162 CKGOKTIADJCUJT-CQSZACIVSA-N 219.328 3.837 30 20 BHED CCC/C(C)=C/C(=O)O[C@@H](C)CC(C)(C)C#N 851210891 VWRCQLNWQNYCHG-OBIHZWKSSA-N 237.343 3.604 30 20 BHED CCCCCCCC(=O)NCC1CCCC1 914736119 HCXHRTHHENIXLY-UHFFFAOYSA-N 225.376 3.653 30 20 BHED C=C(C)CCC(=O)N1CCC2(CCCCC2)C1 1335799646 IJXSSOFBWQDBGJ-UHFFFAOYSA-N 235.371 3.526 30 20 BHED C[C@@H]1CCC[C@@H](N(C)CCCC(C)(C)C#N)C1 87608567 ANSUHDDKIZBYGJ-ZIAGYGMSSA-N 236.403 3.827 30 20 BHED C#CCCCCN[C@@H](c1ccccc1)C1CC1 91377859 LBUYQQSHTXDAIH-INIZCTEOSA-N 227.351 3.531 30 20 BHED CCCCCCCCC(=O)Nc1ccc(N)cc1 115061959 HYVHLXNQQZEHQM-UHFFFAOYSA-N 248.370 3.958 30 20 BHED CC(C)C[C@@H](C)Nc1c(F)cc(C#N)cc1F 133587548 KCKLKNRIQQEWIA-SECBINFHSA-N 238.281 3.683 30 20 BHED C[C@H]1CCCC[C@H]1CNCC(C)(C)CCC#N 135163216 NKOLYSWPWSSIAR-KBPBESRZSA-N 236.403 3.732 30 20 BHED CCCCCCCCC(=O)NC1CC=CC1 160827079 LXLZUTFZKYGUSW-UHFFFAOYSA-N 223.360 3.572 30 20 BHED C=C(C)CSCC(=O)Nc1ccc(C)c(C)c1 177871741 RDOQFQNFZRFLNO-UHFFFAOYSA-N 249.379 3.551 30 20 BHED CS[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cc1 218954492 ONCGKHICUOTFLB-ZIAGYGMSSA-N 246.379 3.644 30 20 BHED CC[C@@H](C)[C@@H](C)Nc1cc(F)cc(C#N)c1 227610312 FWUUOVHMDFBGHB-NXEZZACHSA-N 220.291 3.544 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1cc(F)ccc1O 281607137 MQSLZCAQNCUQCM-PWSUYJOCSA-N 237.318 3.537 30 20 BHED C[C@H](CCC#N)N[C@H](C)c1cccc(C2CC2)c1 298463250 RUYHHMCTHOUEAE-CHWSQXEVSA-N 242.366 3.907 30 20 BHED C[C@H](CCC#N)N1CC(C)(C)[C@@H]1c1cccs1 298552798 OIPYNECQTVSJKH-YPMHNXCESA-N 248.395 3.823 30 20 BHED C=CCCSc1nc(C)c(C)n1CCCC 303814847 OERDQYONBLMAFP-UHFFFAOYSA-N 238.400 3.968 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)CC1CC1 309026028 ZYKWJHKEYZAFRY-STQMWFEESA-N 209.377 3.900 30 20 BHED C=CCCCCNCc1cc(C)ccc1F 309286136 ITDTULCFYQCTKS-UHFFFAOYSA-N 221.319 3.580 30 20 BHED C#C[C@@H](N[C@H](C)C(C)C)c1ccc(Cl)cc1 309707166 VWJSKFJHFDAFRL-BXUZGUMPSA-N 235.758 3.648 30 20 BHED C=C(CC)CN[C@@H](C)c1ccc(F)cc1F 309829880 YGLPTISKYGCDDB-JTQLQIEISA-N 225.282 3.582 30 20 BHED CCc1nc(/C(O)=N/C(CC)(CC)CC)co1 330822647 NWONJMFILNFMKR-UHFFFAOYSA-N 238.331 3.510 30 20 BHED CC(C)(C)CN[C@H]1CCCc2cc(C#N)ccc21 341758754 CNAMHPXWHLBLMS-HNNXBMFYSA-N 242.366 3.571 30 20 BHED C=C(CC)CN1CCC[C@@H]1c1ccc(COC)o1 342570029 NZTLHYWRKICAEX-CQSZACIVSA-N 249.354 3.529 30 20 BHED C=C1CCN(c2cccc(Cl)c2C(C)=O)CC1 382579494 JNVVKWIQBABARU-UHFFFAOYSA-N 249.741 3.699 30 20 BHED CC[C@@H](NCc1cc(C#N)cs1)C1CCCC1 382788050 MXFVWWRXVOEGAE-CQSZACIVSA-N 248.395 3.678 30 20 BHED C=CCNc1ccc(OCCC)c(Cl)c1 389899847 CFXFAVMFIXPTAC-UHFFFAOYSA-N 225.719 3.727 30 20 BHED C=CCC[C@H](C)NC[C@@H](CC)CC(F)(F)F 402669750 NNVFSOWSOZTNQC-QWRGUYRKSA-N 237.309 3.909 30 20 BHED CC(C)C[C@H](C)C[C@@H](C)NCC1(C#N)CCC1 418143089 OSABQXLBYZBOOP-UONOGXRCSA-N 236.403 3.731 30 20 BHED CC(C)(C)C1CCC(N[C@@H]2CC[C@H](C#N)C2)CC1 424202100 SHCQLKMPGQWSOT-VXGQWTEUSA-N 248.414 3.873 30 20 BHED C=C(C)C(C)(C)c1nc(Cc2cccs2)no1 424220133 GSKALHOEDHCLKU-UHFFFAOYSA-N 248.351 3.576 30 20 BHED N#Cc1ccc(F)c(CSCCC2CC2)c1 437933647 PYEZWQCFGKLGIF-UHFFFAOYSA-N 235.327 3.731 30 20 BHED Cc1cc(CSc2ccncc2)ccc1C#N 447306025 QMNQEBQMBALNHE-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccc(Cl)cn1 453310172 RDJGFEJKZHRQLI-JTQLQIEISA-N 238.762 3.598 30 20 BHED CCC[C@@H](C)CC(=O)Nc1cccc(CC#N)c1 456728410 JGRNRTWDQXLQDB-GFCCVEGCSA-N 244.338 3.517 30 20 BHED C=C(C)CN[C@H](C)c1cc2cccc(F)c2o1 475711588 CICOUQQPROECOB-SNVBAGLBSA-N 233.286 3.799 30 20 BHED C=CCCC(=O)N(CC=C)CC1CCCCC1 482823857 DZVOCOXBBPBUGR-UHFFFAOYSA-N 235.371 3.548 30 20 BHED C=C[C@@H]1CCCCN1Cc1cccc(C)c1 489428311 DNSYRWGNAVZAEX-OAHLLOKOSA-N 215.340 3.536 30 20 BHED C=C(C)CCN(C)Cc1cc(F)c(F)c(F)c1 508990237 HKVQGWYCKBEQPB-UHFFFAOYSA-N 243.272 3.502 30 20 BHED C=C(C)CN(Cc1ccc(C#N)cc1)CC(C)C 520173837 DLYCNNZCRHXURP-UHFFFAOYSA-N 242.366 3.592 30 20 BHED C[C@@H]1CCC[C@@H](CCN2CCC(CC#N)CC2)C1 543810169 FSCWRRDWPHLHED-ZBFHGGJFSA-N 248.414 3.828 30 20 BHED CCC[C@@H](CCc1ccccc1)NCCCC#N 545192144 UNKCSHXDFSPALH-INIZCTEOSA-N 244.382 3.681 30 20 BHED C=CCN(C)[C@@H](C)c1c(C)cc(C)cc1C 547970893 OJJWARKNMXWGIK-AWEZNQCLSA-N 217.356 3.791 30 20 BHED C[C@@H]1CC[C@H](Sc2ccc(C#N)cc2F)C1 549374079 HNVLWSMABATSTH-KOLCDFICSA-N 235.327 3.978 30 20 BHED C=C(C)CN1CCC[C@H](Cc2ccccc2)C1 592322399 CSFDHRYFXNTWFY-MRXNPFEDSA-N 229.367 3.517 30 20 BHED CCC[C@@H](N[C@H](C)CC(C)(C)C#N)C1CCC1 695874229 VMGQGJKGJQDVSH-TZMCWYRMSA-N 236.403 3.873 30 20 BHED C#C[C@@H](NC(=O)CC1CCCCCC1)C(C)(C)C 702236499 QAKDFVGPTNUWIB-CQSZACIVSA-N 249.398 3.511 30 20 BHED CCOc1cccc(C=NNc2ccccc2)c1 728695122 LENVGGVHXATRBS-UHFFFAOYSA-N 240.306 3.531 30 20 BHED O=C(/C=C\c1cccc(F)c1)C1CCCCC1 747003300 HRCJTNNRPHDOKW-KTKRTIGZSA-N 232.298 3.988 30 20 BHED C#CC[C@@H](N[C@H](C)CCC=C)c1ccccc1 756777566 ZTYYDWVYYGGXRS-GDBMZVCRSA-N 227.351 3.695 30 20 BHED CC[C@@H](C)NN=C1CCC(C(C)(C)C)CC1 790187490 BRDAQOWOAJIUIV-JHJMLUEUSA-N 224.392 3.967 30 20 BHED CC(C)(C)CCNN=Cc1ccc2occc2c1 794928973 KGQHUXJATLEJBK-UHFFFAOYSA-N 244.338 3.793 30 20 BHED CCCC(=NOCCCOC)C1CCCCC1 795041971 JVBOODMXCQUTBF-UHFFFAOYSA-N 241.375 3.776 30 20 BHED CC[C@@H]1CC[C@@H](C)CC1=NOCCSC 797403400 LHFHRTNGYYLWGY-GHMZBOCLSA-N 229.389 3.568 30 20 BHED C[C@@H]1CC(=NOCCC2CC2)C[C@H](C)C1 814246115 SVIYUMZSWOBKMO-PHIMTYICSA-N 209.333 3.615 30 20 BHED Clc1ccnc(NN=C2CC[C@H]2C2CCC2)c1 814899318 PSYCUCSCUXNPLW-NSHDSACASA-N 249.745 3.713 30 20 BHED C=CCCC(CCC)=NNCCC(F)(F)F 814920590 QVPPBIKQFNAEGO-UHFFFAOYSA-N 236.281 3.651 30 20 BHED C=CCC(F)(F)C(=O)O[C@H](C)c1ccccc1 815312046 JHAGYTUOROOXLC-SNVBAGLBSA-N 240.249 3.502 30 20 BHED C=CCC(CC=C)C(=O)OCCCc1ccco1 861018696 ZQXBNRFFCQXKNQ-UHFFFAOYSA-N 248.322 3.524 30 20 BHED C=C1CCC(C(=O)N(C)c2ccccc2F)CC1 888626290 QZQSGDULDHHDCC-UHFFFAOYSA-N 247.313 3.535 30 20 BHED C=C(Cl)CN(CC)Cc1ccccc1C 915058431 ZFWZTUWHQQRVKX-UHFFFAOYSA-N 223.747 3.569 30 20 BHED CC(=NNc1ccccc1)c1ccc(F)cc1F 916247216 JDVDPOYXBJJSRG-UHFFFAOYSA-N 246.260 3.801 30 20 BHED C=C(Cl)CN[C@H]1CC[C@@H](CCC(C)C)C1 1650315906 RUDQMYHZPRURCS-OLZOCXBDSA-N 229.795 3.933 30 20 BHED C[C@@H](CN[C@@H]1CC[C@H](C#N)C1)CC1CCCCC1 1658164133 LSSVCLWCROLBQL-VNQPRFMTSA-N 248.414 3.875 30 20 BHED O=CC1([C@@H](F)c2cccc3ccccc23)CC1 2332241138 PWHQWMSTBQQYRY-AWEZNQCLSA-N 228.266 3.830 30 20 BHED N#CCOc1ccc(NC2CCCCCC2)cc1 20126400 RFZIBFVXJGGIBB-UHFFFAOYSA-N 244.338 3.724 30 20 BHED C=CCCNc1ccc2nc(C)sc2c1 77244823 FZQJKKGBDSXMCD-UHFFFAOYSA-N 218.325 3.593 30 20 BHED C=C(CC)COc1ccc(C(=O)CC)cc1 85059168 XTSYJVIARVWIGQ-UHFFFAOYSA-N 218.296 3.624 30 20 BHED CCN(CCC(C)(C)C#N)c1ccc(F)cc1 87595512 UZLGBFFGHBHQNA-UHFFFAOYSA-N 234.318 3.592 30 20 BHED N#CCC1(CNc2cccc3c2CCCC3)CC1 88249427 BRDDKABKSFRPSA-UHFFFAOYSA-N 240.350 3.671 30 20 BHED Cc1ccc(F)c(CNc2cccc(C#N)c2)c1 161152572 GMWKRTBDSNVJCX-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C[C@@H]1CCC[C@@H](C)C1NCc1cc(C#N)cs1 177691219 JPAJXTAFCFVNAU-GHMZBOCLSA-N 248.395 3.534 30 20 BHED CN(Cc1ccc(C#N)s1)CC1CCCCC1 179936924 DRXVFBWAFRAVEO-UHFFFAOYSA-N 248.395 3.632 30 20 BHED C=CCSc1ccnc2c(OC)cccc12 187843868 BZCFQNNSWYEMFB-UHFFFAOYSA-N 231.320 3.522 30 20 BHED C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)CCC1 249655040 VEALDILFWGTXID-MGPQQGTHSA-N 249.398 3.674 30 20 BHED CC(C)(C#N)Cc1ccc2ccccc2c1 259145279 NODQFMZLEKDPFH-UHFFFAOYSA-N 209.292 3.932 30 20 BHED C=CCCSc1nc2ccccc2s1 303788098 JNAIDUGQMDZEOT-UHFFFAOYSA-N 221.350 3.965 30 20 BHED C=C(C)CN[C@@H](c1ccccc1C)C(C)C 309363924 PDLMJJISDGBJOI-OAHLLOKOSA-N 217.356 3.858 30 20 BHED Cc1sccc1CNc1cccc(CC#N)c1 313485103 WWRWJNJKJZKLBG-UHFFFAOYSA-N 242.347 3.735 30 20 BHED Cc1cc(Nc2ncccc2C#N)ccc1C1CC1 355789569 XIFOONCQRLDUDL-UHFFFAOYSA-N 249.317 3.883 30 20 BHED C=CCC1(C(=O)N2CCC(C)(CC)CC2)CCC1 359522907 HGUSKLUGFPCQLK-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C=CCCCCCCCNC[C@H]1CCSC1 381212582 HJMHMWMEMWLZFZ-CQSZACIVSA-N 241.444 3.856 30 20 BHED C=C(C)CCN[C@H](C)c1ccc2c(c1)CCC2 386829530 VPMNQDSCTDUZFE-CYBMUJFWSA-N 229.367 3.792 30 20 BHED C=CCCC[C@@H](C)NC(=O)[C@@H](C)CCCC 410009535 FZZAGNQVPHETME-QWHCGFSZSA-N 225.376 3.674 30 20 BHED CC(C)=CCSc1ccc(Cl)c(C#N)n1 447695868 ZDQMIVYHFQJPEZ-UHFFFAOYSA-N 238.743 3.665 30 20 BHED C=CCc1ccccc1OCC[C@H](C)F 505690967 YYIOKBRRTCBWMS-NSHDSACASA-N 208.276 3.542 30 20 BHED C=CCCCCOc1cc(C)ccc1NC(C)=O 515771997 DEYHXOZRBDSQEQ-UHFFFAOYSA-N 247.338 3.689 30 20 BHED C=CC[C@H](CC)NC(=O)C[C@@H]1CCCC[C@H]1C 517753855 MOBPAMZDSRQACE-RDBSUJKOSA-N 237.387 3.674 30 20 BHED C=CCC(C)(C)c1noc(-c2ccc(F)cc2)n1 556365501 XRRRJDBAOWKQKV-UHFFFAOYSA-N 246.285 3.729 30 20 BHED C=CCC[C@@H](C)NCc1ccc(NCCC)cc1 571150559 CWGMWHYXRRHTCJ-CQSZACIVSA-N 246.398 3.953 30 20 BHED CCC(CC)CN(CCC#N)CC1CC=CC1 595349148 ZIZDCMCXJRAWJZ-UHFFFAOYSA-N 234.387 3.604 30 20 BHED N#Cc1cc(Cl)ccc1S[C@@H](C#N)C1CC1 601913883 SIYWJCSMQXYWOL-LBPRGKRZSA-N 248.738 3.606 30 20 BHED Cc1ccc([C@H](C)CNC[C@@H](C)CCC#N)cc1 602559258 XETRUTKVHLXRJW-LSDHHAIUSA-N 244.382 3.628 30 20 BHED C=C(C)CN1CCc2ccccc2[C@@H]1CC 603944069 GFADNXRWPPYXIB-HNNXBMFYSA-N 215.340 3.572 30 20 BHED C=CCCCN(C)[C@H](C)c1ccc(F)cc1 605149728 CMHBZWYHTNYYEQ-GFCCVEGCSA-N 221.319 3.785 30 20 BHED C[C@@H](N[C@H](C)C1CCC1)c1ccc(C#N)c(F)c1 611465882 CWVRKDMIYHREBZ-GHMZBOCLSA-N 246.329 3.537 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C2(CCC)CCC2)C1 617782506 GXXLBBCGZNVCDU-CQSZACIVSA-N 249.398 3.772 30 20 BHED C=CCCCCN1CCC(OC(C)(C)C)CC1 649350410 ZHTXPXKVUUWWBI-UHFFFAOYSA-N 239.403 3.622 30 20 BHED C=CCCN[C@H]1CCC[C@H](c2ncccc2C)C1 658113918 JOFHWMDKEWPBNY-GJZGRUSLSA-N 244.382 3.582 30 20 BHED C=CCC1(C(=O)N[C@@H](C)c2ccsc2)CCC1 669861630 LNTKSOPWZZFNAW-NSHDSACASA-N 249.379 3.672 30 20 BHED C=CCCCCCNc1cc(CO)c(C)cc1C 683739519 HTLATERDAXFZNN-UHFFFAOYSA-N 247.382 3.954 30 20 BHED C=CCCCCCN1CCC2(CC1)CC2 683784013 CLGYUIOSOSYFNF-UHFFFAOYSA-N 207.361 3.609 30 20 BHED Cc1cccc(C=NNc2cccc(C#N)c2)c1C 731151901 RSFMDQYZYNLONZ-UHFFFAOYSA-N 249.317 3.621 30 20 BHED Fc1cccc(F)c1NN=C/C=C\c1ccco1 735616155 YJXSDHYQRNARCR-KCLRZSDESA-N 248.232 3.669 30 20 BHED CC(=NO[C@@H]1CCCCO1)c1cccc(C)c1C 755823479 PIVBDURZFFLVKR-OAHLLOKOSA-N 247.338 3.571 30 20 BHED CCc1ccc(C=NNc2ccc(C)cc2)o1 760217662 XZKAKPAUOGBWDX-UHFFFAOYSA-N 228.295 3.596 30 20 BHED CCC[C@@H](C)c1noc(-c2cccc(C#N)c2)n1 761832107 FHVWXXJLAGDQJQ-SNVBAGLBSA-N 241.294 3.512 30 20 BHED CC1(C)CCCC[C@H]1NN=Cc1ccccc1 773126620 VNOJBACQSVQDLV-CQSZACIVSA-N 230.355 3.579 30 20 BHED C[C@@H]1CCCC(=NOCCC(F)(F)F)C1 777455882 NSGWEMIJGUBDCJ-MRVPVSSYSA-N 223.238 3.522 30 20 BHED Fc1cc(NN=C2CCC[C@@H](C3CC3)C2)ccn1 781132697 HIYIDGKJKOETDI-LLVKDONJSA-N 247.317 3.589 30 20 BHED CC(=NNc1cccc(Cl)n1)C1CCCC1 793161281 JXFDUOVTTDBHET-UHFFFAOYSA-N 237.734 3.713 30 20 BHED CC(C)[C@H]1CCCC(=NO[C@@H]2CCCCO2)C1 794523069 CMZBUCMRPUNLFV-GXTWGEPZSA-N 239.359 3.732 30 20 BHED CCC(=NO[C@H]1CCCCO1)c1cccc(C)c1 794923487 PVFMVZRZJODBGS-HNNXBMFYSA-N 247.338 3.652 30 20 BHED CCCc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1 799721209 WURJDVNBSUJJCA-UKRRQHHQSA-N 228.339 3.743 30 20 BHED C/C(=C/Cl)CSc1snc(C)c1C#N 808058492 PAUSMUUBFKEYBL-UTCJRWHESA-N 244.772 3.558 30 20 BHED C=C(CC)CN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21 834901606 ADBIODIEQRMPFB-PWSUYJOCSA-N 249.329 3.635 30 20 BHED Cc1cc(F)ccc1[C@@H](C)NCC(C)(C)CC#N 840788122 WAGSDJHUBRBGPE-GFCCVEGCSA-N 248.345 3.725 30 20 BHED C=C[C@H](C)ON=C[C@H]1C(C)=CCC[C@@H]1C 844621347 GNVXVMRVRXFLLQ-AVGNSLFASA-N 207.317 3.556 30 20 BHED C=CCCNCc1ccc(SC(F)F)cc1 850354690 UMEKFQBQAVPKBM-UHFFFAOYSA-N 243.322 3.667 30 20 BHED C=CCC1(NC(=O)C(C)=C2CCCC2)CCCC1 855927447 OHJLFMXRFKTYIZ-UHFFFAOYSA-N 247.382 3.882 30 20 BHED CCCCCCCc1nnc(C(C)(C)C)o1 1117253847 UXHQUDOJJLTHNQ-UHFFFAOYSA-N 224.348 3.880 30 20 BHED C[C@@H](CCNc1ncccc1C#N)CC(C)(C)C 1186120354 BWBAPUBSNSAUQD-LBPRGKRZSA-N 245.370 3.828 30 20 BHED Cc1ccc(/C=C\c2cc(C#N)ccn2)cc1C 1324933736 PJZWXVDJPGNWGU-WAYWQWQTSA-N 234.302 3.741 30 20 BHED CCN(Cc1ccccc1C#N)c1ccccc1 19804754 AAULYVZBHHOXQW-UHFFFAOYSA-N 236.318 3.585 30 20 BHED C=C(Cl)CN[C@H](C)c1ccc(CC)cc1 37978958 MTDCFBHXXWMYHP-LLVKDONJSA-N 223.747 3.652 30 20 BHED C[C@@H](SCCCC#N)c1ccccc1 58263091 CQYAHYPIFGDHNV-LLVKDONJSA-N 205.326 3.785 30 20 BHED CC(C)(C#N)CCNc1ccc(Cl)c(F)c1 83638486 CPLJFHAIWGEJMT-UHFFFAOYSA-N 240.709 3.831 30 20 BHED N#CCCCCN[C@@H](c1ccccc1)C1CCC1 104702607 NTXCTDINZDBRCL-INIZCTEOSA-N 242.366 3.811 30 20 BHED C=CCCN[C@@H](C)c1cc(C)ccc1C 125391927 UJQQUIQNZAHUOM-ZDUSSCGKSA-N 203.329 3.530 30 20 BHED CCCCNc1ccccc1SCCC#N 154883244 LBFAFANTKYVAAV-UHFFFAOYSA-N 234.368 3.904 30 20 BHED C#CCCCCNC1CCC(C(C)C)CC1 165931620 AVDJEQCZGVTWCC-UHFFFAOYSA-N 221.388 3.594 30 20 BHED C#CCCCCN[C@H]1CCCCc2ccccc21 229739644 SYJIKBWWYKBSFP-KRWDZBQOSA-N 241.378 3.847 30 20 BHED O=C1/C(=C\c2cccs2)Cc2cc(F)ccc21 255694656 LOQUXRCFLHNMTF-NTMALXAHSA-N 244.290 3.710 30 20 BHED C=CCCSCc1sc(C)nc1C 266300339 AHUGINOTNQBAOE-UHFFFAOYSA-N 213.371 3.569 30 20 BHED COCc1cccc(CSCCCCC#N)c1 269464668 ILWBXPGWFXPGSI-UHFFFAOYSA-N 249.379 3.760 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1cccc(C#N)c1 281386913 ZFWBBXWUDUZMEO-IUODEOHRSA-N 228.339 3.564 30 20 BHED CN(Cc1cccc(C#N)c1)[C@H]1CCC(C)(C)C1 347311626 PCMGAYRYUNEEGS-HNNXBMFYSA-N 242.366 3.569 30 20 BHED CCC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 349322034 LKDSQNQXFZVZEC-BMFZPTHFSA-N 242.366 3.810 30 20 BHED C[C@H]1CCC[C@H](C)N(Cc2ccccc2C#N)C1 353936504 ZEJZCAZKAZFPTE-KBPBESRZSA-N 242.366 3.569 30 20 BHED C=C(CC)CSCCc1c(C)noc1C 358637548 ONNICZMMOYCEGF-UHFFFAOYSA-N 225.357 3.533 30 20 BHED C=CCCCCCCNCc1cncn1C(C)C 380665218 IWUPFEWEJLBCTH-UHFFFAOYSA-N 249.402 3.690 30 20 BHED CC(C)C1CCC(CNCC(C)(C)C#N)CC1 383650813 JDVVSVVGBOZZEH-UHFFFAOYSA-N 236.403 3.588 30 20 BHED C=CCC(C)(C)CN[C@H](C)c1ccccc1O 383741129 CGXCRFAWDGCGQN-GFCCVEGCSA-N 233.355 3.645 30 20 BHED C=CC[C@H](CC)N[C@H](C)CSC(C)(C)C 389977202 GKHBVHRTJFQFHJ-NEPJUHHUSA-N 229.433 3.851 30 20 BHED C[C@H](CCC1CC1)Nc1cccc(C#N)c1 390202169 QXDWXVHBPPQEKB-LLVKDONJSA-N 214.312 3.549 30 20 BHED C=CCCCCNCc1ccc(F)cc1C 390609569 ZEZZUMHVIOVOHU-UHFFFAOYSA-N 221.319 3.580 30 20 BHED C=CCN(C)CCc1cccc(Cl)c1Cl 434478753 HPEDELUOLWPSAB-UHFFFAOYSA-N 244.165 3.654 30 20 BHED C[C@@H]1CCc2ccccc2N1CC1(C#N)CCC1 450245260 OOODJQYHJMPLNC-CYBMUJFWSA-N 240.350 3.522 30 20 BHED N#CC1(COc2ccc(F)c(Cl)c2)CCC1 450621922 HCILMSMVXAUWAX-UHFFFAOYSA-N 239.677 3.552 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H]1C[C@@]1(CC)C(C)C 457282342 MYQFQKPLQMNNBT-ZBFHGGJFSA-N 249.398 3.696 30 20 BHED C=CCOCCCSc1cc(F)ccc1F 475966680 KKTADIPLNQXKGE-UHFFFAOYSA-N 244.306 3.650 30 20 BHED C=CCCC1(C(=O)N2CC[C@H](CC(C)C)C2)CC1 476194400 FTHJDFVYFAEKBK-CQSZACIVSA-N 249.398 3.627 30 20 BHED C=C(C)CN(CC)C[C@@H]1C[C@@H]1c1ccccc1 505871863 HCTAIXXZOQZFMD-JKSUJKDBSA-N 229.367 3.688 30 20 BHED C=CCN(CCC(=C)C)CCc1ccccc1 509262648 IIDCDUNDGJEOJU-UHFFFAOYSA-N 229.367 3.683 30 20 BHED Cc1cc(Nc2ccncc2C#N)ccc1C1CC1 548483379 SQFBDSWRZLYIKL-UHFFFAOYSA-N 249.317 3.883 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1ncccc1CC 556217554 MXDUCOOZOZFNME-ZDUSSCGKSA-N 246.398 3.897 30 20 BHED C=CCCCCCNC(=O)C1(CC(C)C)CC1 571223285 UPACFLMYWYGRQZ-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C[C@@H]1CCC[C@H](CCN2CCC[C@@H](CC#N)C2)C1 595615089 OWZBQJHDNVIEPB-OAGGEKHMSA-N 248.414 3.828 30 20 BHED C=CCCN(Cc1ccccc1)CC(C)C 606897320 NCLKSHTZRWLFDD-UHFFFAOYSA-N 217.356 3.721 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 614396643 PLNNKVYDHMWUIU-BYNSBNAKSA-N 249.398 3.674 30 20 BHED C=CCCC1(CN[C@@H](C)c2cn[nH]c2)CCCC1 658099033 UTSACPBBLHFOSS-ZDUSSCGKSA-N 247.386 3.587 30 20 BHED N#Cc1cccc(Nc2cccc(C3CCC3)c2)n1 690291037 ZYNYKCGUFIFPCP-UHFFFAOYSA-N 249.317 3.964 30 20 BHED CCCCCCCCCN(CC#N)C1CC1 706720513 HABNPBZEBFVMAB-UHFFFAOYSA-N 222.376 3.725 30 20 BHED C[C@@H]1CCCC1=NNc1ccc(Cl)cc1 729140767 NNYLOMCOJZWDBP-SECBINFHSA-N 222.719 3.928 30 20 BHED CCCCCCCC(=O)NCC(C)(C)SC 743793802 NMAPPKOZSFAGNL-UHFFFAOYSA-N 245.432 3.605 30 20 BHED C#CCCCN[C@@H]1CCC[C@@H]1c1ccc(C)cc1 766225049 ZKKTXFNLULJSIJ-IAGOWNOFSA-N 241.378 3.634 30 20 BHED CCCCCCCC(C)=NOC1CCOCC1 774435814 JKJNGXNHYDBYIN-UHFFFAOYSA-N 241.375 3.918 30 20 BHED C[C@@H]1CCCCC1=NNc1cc(Cl)ccn1 777906780 GGJDAGMDNBWQBP-SECBINFHSA-N 237.734 3.713 30 20 BHED Cc1ccc(F)c(C=NN[C@@H]2CCCC2(C)C)c1 782286913 HLWXJGAGKBZKPA-CQSZACIVSA-N 248.345 3.636 30 20 BHED CC(C)(C)CCNN=C1CCC[C@H](C2CC2)C1 782908185 QXIMIKPDRGKMEY-ZDUSSCGKSA-N 236.403 3.968 30 20 BHED C=C(Cl)CN1C[C@H](C)C[C@H]1c1ccccc1 796621673 UGPYRHBGGYHXPC-RISCZKNCSA-N 235.758 3.822 30 20 BHED C=CC[C@@H](CC)N[C@@H]1CCc2cc(C)ccc21 798937777 VLIZSFZWCSDASC-GDBMZVCRSA-N 229.367 3.927 30 20 BHED CC(CC1CCCC1)=NNCC1CCCC1 808006430 TWPATEPEBJJSNF-UHFFFAOYSA-N 222.376 3.722 30 20 BHED C=CCCCCOC(=O)[C@H](C)c1ccc(C)o1 811010733 GPWMQNDFQOWWOR-GFCCVEGCSA-N 236.311 3.591 30 20 BHED COc1ccc([C@H](C)C(C)=NOC2CCC2)cc1 812235597 YYHVTEUSPBEOFP-LLVKDONJSA-N 247.338 3.744 30 20 BHED C[C@@H](C=NO[C@@H]1CCCCO1)C1CCCCC1 814886657 CAZYFNQBRZUYFL-GXTWGEPZSA-N 239.359 3.732 30 20 BHED C1CCC2(CCCC2)C(=NOCC2CC2)C1 814940930 HERVFSHIQZMAGL-UHFFFAOYSA-N 221.344 3.903 30 20 BHED CC[C@H](C)CC=NOCc1ccc(F)cc1 834969124 QIMZBXABMXICDW-NSHDSACASA-N 223.291 3.764 30 20 BHED C=CCCCCCOC(=O)CC1CC(F)(F)C1 838264122 NCDJFOLKQKPYSR-UHFFFAOYSA-N 246.297 3.711 30 20 BHED C=CC(C)(C)CCOC(=O)[C@@H](C)c1ccco1 851299367 IQRJRNALTCHNJR-NSHDSACASA-N 236.311 3.529 30 20 BHED CCOC1CCC(=NOC2CCCCC2)CC1 853335285 OSAUWDZFEUKDOI-UHFFFAOYSA-N 239.359 3.671 30 20 BHED CC(C)(C)SCSc1ccc(C#N)cn1 871646246 HLQXDMJPNWVFLH-UHFFFAOYSA-N 238.381 3.535 30 20 BHED C(=NNc1ccccc1)c1ccc2ncccc2c1 916246077 YJSITXXHGZFVAC-UHFFFAOYSA-N 247.301 3.681 30 20 BHED Cc1cc(C)cc(NN=Cc2cnc(C)s2)c1 917540796 UTJVBMYLHFXDMT-UHFFFAOYSA-N 245.351 3.514 30 20 BHED C=CCC[C@@H](CC)N[C@@H]1CCCc2cccnc21 927060045 QCZDSSGKRPWOIQ-HUUCEWRRSA-N 244.382 3.793 30 20 BHED CCC[C@@H](C=NNCC(C)C)c1ccccc1 1116455849 CVPPGXZRPAFUPD-HNNXBMFYSA-N 232.371 3.802 30 20 BHED C[C@@H]1CCCC[C@H]1Nc1cccc(F)c1C#N 35134946 MPHIRAQMKXEVFB-ZWNOBZJWSA-N 232.302 3.688 30 20 BHED N#Cc1cc(Cl)ccc1NCc1ccsc1 63146659 ULYMOHDYVWGDQJ-UHFFFAOYSA-N 248.738 3.885 30 20 BHED C=CCN(CC=C(C)C)Cc1cccc(C#N)c1 63300403 QEOJNQOUHHOUHL-UHFFFAOYSA-N 240.350 3.512 30 20 BHED C=CCCCN(Cc1cccc(O)c1)CC1CC1 117875844 NZHSINGVXZQAOB-UHFFFAOYSA-N 245.366 3.570 30 20 BHED Cc1ccoc1C(=O)/C=C/c1ccc(F)cc1 119025200 ZYYKSROVRZATFE-QPJJXVBHSA-N 230.238 3.623 30 20 BHED CC[C@@H](c1ccc(F)cc1)N(CC)C[C@@H](C)C#N 155200090 ITTNEQNEVRGMJI-WFASDCNBSA-N 248.345 3.758 30 20 BHED C=CCCOc1ccc(Oc2nccs2)cc1 178201830 XEAVQXBGECSSQB-UHFFFAOYSA-N 247.319 3.890 30 20 BHED CCCCN(CC)[C@@H](C)c1cccc(C#N)c1 189756231 XGEISVYQHOVJRZ-ZDUSSCGKSA-N 230.355 3.741 30 20 BHED CC[C@@H](C)CSCc1ccc(C#N)cc1 229045399 LAFXJQQBGKJDGP-LLVKDONJSA-N 219.353 3.838 30 20 BHED N#C[C@H]1CC[C@H](Sc2nc3ccccc3o2)C1 278537232 JHRFMXASTLDJQD-UWVGGRQHSA-N 244.319 3.612 30 20 BHED C=CCC1(c2nc(-c3ccoc3C)no2)CCC1 290068576 IXHSLJXWWJWTNE-UHFFFAOYSA-N 244.294 3.636 30 20 BHED C=CCC(C)(C)CN[C@H](C)Cc1ccccc1F 386897076 YKNLXBOKQRRKCY-CYBMUJFWSA-N 249.373 3.949 30 20 BHED CCC(CC)(CC)NCC#Cc1ccc(F)cc1 440725167 APQFKBCRNIOSLU-UHFFFAOYSA-N 247.357 3.736 30 20 BHED C=CCC(C)(C)C(=O)NC[C@H]1CCC[C@H]1CC 452535058 WDPXAJIMFMZBBN-CHWSQXEVSA-N 237.387 3.531 30 20 BHED C=CCCCCN[C@H](C)CCCc1cccnc1 453200414 RCKXJXUINUSQAB-OAHLLOKOSA-N 246.398 3.739 30 20 BHED C=CCC1(CN[C@@H](C)C(C)(C)OC)CCCC1 453380863 RMBFKMABMJBWCS-ZDUSSCGKSA-N 239.403 3.526 30 20 BHED CC(C)(C)CSCc1cccc(F)c1C#N 488300848 ZVOCFFXJPJPVGZ-UHFFFAOYSA-N 237.343 3.977 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 551455858 MPBVFBPNTXNPRR-ZIAGYGMSSA-N 249.398 3.674 30 20 BHED CCCC[C@H](C)NC1(c2cccc(C#N)c2)CC1 556606000 OSLBTDLMNDHXBZ-ZDUSSCGKSA-N 242.366 3.716 30 20 BHED C=CCN(CCC#N)C[C@@H]1CCCC(C)(C)C1 562375829 IIOIZUMMDOAKBR-CQSZACIVSA-N 234.387 3.604 30 20 BHED C=C(C)CCNc1ccc(F)cc1OC(C)C 578279962 IKAKPZNGBARUIB-UHFFFAOYSA-N 237.318 3.991 30 20 BHED CC(C)c1cccc(CN(CCC#N)C(C)C)c1 595331632 BNSLTAUCVJAABB-UHFFFAOYSA-N 244.382 3.934 30 20 BHED C=CCSC[C@H]1CCCCC1(F)F 596338786 XNXFTGOARKPODZ-SECBINFHSA-N 206.301 3.731 30 20 BHED CC(C)c1cccc(CNCC2(C#N)CCC2)c1 597153957 MBJAUELNYVDJIQ-UHFFFAOYSA-N 242.366 3.593 30 20 BHED CCCc1ccc(CON=C2CCC2)cc1 735490317 VQTUTOVXXIOJQZ-UHFFFAOYSA-N 217.312 3.696 30 20 BHED CC[C@H](C)C[C@@H](C)/N=C\c1ccccc1O 743042455 LEDUXAMJJBNYCC-ZHAXNECPSA-N 219.328 3.636 30 20 BHED C=C(C)COC(=O)[C@H](c1ccccc1)C(C)C 744039788 APHHNBVOBNXVQA-AWEZNQCLSA-N 232.323 3.546 30 20 BHED C=CCCC(=NNc1ccc(F)cc1)C1CC1 747745174 WTHAGOOKGPXOHU-UHFFFAOYSA-N 232.302 3.970 30 20 BHED C=CCCCC(=O)OCc1cccc(Cl)c1 748234529 TVVRDKWBJYDEMS-UHFFFAOYSA-N 238.714 3.740 30 20 BHED C=CCCC(CC)=NNc1nc2ccccc2[nH]1 750919173 XCMCGMZMDBHYRN-UHFFFAOYSA-N 242.326 3.707 30 20 BHED CC[C@@H](C)C=NNc1nc2ccccc2s1 755463532 FGGNEPFDBFWEPT-SECBINFHSA-N 233.340 3.740 30 20 BHED C/C(C=NO[C@@H]1CCCCO1)=C\c1ccccc1 755817343 ZFQJZFVURYMRIN-YYYNFVIWSA-N 245.322 3.619 30 20 BHED CC#CCNC(=O)[C@](C)(CC)CCCCCC 762706277 WMKGAFYDNOTIOW-OAHLLOKOSA-N 237.387 3.513 30 20 BHED CCC(=CC(=O)O[C@@H](C#N)C1CCCCC1)CC 776397009 KLULLWZEXSWDNZ-AWEZNQCLSA-N 249.354 3.748 30 20 BHED CCCCCCCN[C@@H](C)c1cnc(C)nc1C 776744351 SEISATXMVWTCPI-LBPRGKRZSA-N 249.402 3.714 30 20 BHED C(/C=C\c1ccccc1)=NNC1CCCCC1 786041019 UEVRQEFSPYRAOU-PMPMWQPSSA-N 228.339 3.608 30 20 BHED C=C[C@](C)(CC)C(=O)Oc1ccc(C)c(C)c1 786608481 IEHVOTCZRNLDOX-OAHLLOKOSA-N 232.323 3.811 30 20 BHED C=CCCCCCCN[C@@H]1CCC[C@H](C#N)C1 806167976 OYFGJOZMUHJQGF-LSDHHAIUSA-N 234.387 3.795 30 20 BHED CC[C@@H](C)CC=NNc1nccnc1C1CCC1 834979765 NIQLEERMSKALCH-LLVKDONJSA-N 246.358 3.578 30 20 BHED CC(C)c1cccc(C(=O)O[C@H](C#N)C(C)C)c1 850809668 CDRZMAOMLTYJOL-CQSZACIVSA-N 245.322 3.515 30 20 BHED CC[C@H](NC[C@@H]1C=CCC1)c1ccc(C#N)cc1 883246060 ZCQPXYKKESZCIK-ZBFHGGJFSA-N 240.350 3.565 30 20 BHED CCCCNN=C(C)c1ccc(SC)cc1 915969625 OCYFEDGUBKREMM-UHFFFAOYSA-N 236.384 3.522 30 20 BHED Cc1cccc(NN=C[C@@H]2CC=CCC2)c1 916255996 HSDCTOKHGYNAGM-CYBMUJFWSA-N 214.312 3.749 30 20 BHED CCC(=NNc1ccccc1)c1cccs1 916592348 GNPGWSOMDYMOIX-UHFFFAOYSA-N 230.336 3.974 30 20 BHED C=CCN(C(=O)Nc1c(C)cccc1C)C(C)C 916707489 NYNONMSOSXMGGE-UHFFFAOYSA-N 246.354 3.732 30 20 BHED Cc1ccc(C=NNc2cccc(F)c2)cc1 920384425 VTSOEZVGXIYRPM-UHFFFAOYSA-N 228.270 3.580 30 20 BHED N#CC1(CCCCN2CCC[C@@H]2C2CC2)CCC1 929512184 WKZHBPNZURIECL-OAHLLOKOSA-N 246.398 3.725 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)c1ccc(C)s1 1120813757 MJBKPGJHWXCFNO-GFCCVEGCSA-N 249.379 3.627 30 20 BHED C=CCCCC[C@@H](C)NCCCC(F)F 1352034553 SZANDZQYDSJKRV-LLVKDONJSA-N 219.319 3.756 30 20 BHED CC[C@@H]1CCN(CCC2(C#N)CCCCC2)[C@@H]1C 1459992815 UOMFTVHGNWJOQL-HUUCEWRRSA-N 248.414 3.971 30 20 BHED N#CCCN1Cc2ccccc2-c2ccccc2C1 60361396 NBUIZFHWXLNGBH-UHFFFAOYSA-N 248.329 3.583 30 20 BHED C[C@@H]1CCC[C@@H]1N[C@@H](CCC#N)c1ccccc1 90665577 OLDCQUSTAXRXHC-KBMXLJTQSA-N 242.366 3.810 30 20 BHED C=C(C)CNCc1ccc(OCCCC)cc1 122571300 XVYPXIGMBISFEQ-UHFFFAOYSA-N 233.355 3.531 30 20 BHED N#CCCSc1ccccc1NCC1CC1 127925519 GVZNVHHONLQRBH-UHFFFAOYSA-N 232.352 3.514 30 20 BHED C=CCCCC[C@@H](C)N[C@H]1CCCSC1 134820400 DVAKUXIPBJNYIZ-OLZOCXBDSA-N 227.417 3.607 30 20 BHED C=CCCCN(CC1CCC1)CC(F)(F)F 178458355 SSLPWDVFVIIZOJ-UHFFFAOYSA-N 235.293 3.617 30 20 BHED Cc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1C 185721775 XKYSTTGNUPYMTC-KBPBESRZSA-N 228.339 3.798 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)C1CCC(C)CC1 191824817 BACWMWGPBPCZBV-SSDMNJCBSA-N 237.387 3.626 30 20 BHED C[C@@H]1CCN(CC(C)(C)CCC#N)C[C@@H](C)C1 252802632 PJEVEOSXHHBWKP-KGLIPLIRSA-N 236.403 3.684 30 20 BHED Cc1cccc(C)c1/C=C\C(=O)c1ccco1 255310374 VNPJEJFJJRXHED-HJWRWDBZSA-N 226.275 3.793 30 20 BHED C=CCCCCN[C@H](C)c1ccc2c(c1)COC2 274403066 BJYXBJQUPJLIFL-CYBMUJFWSA-N 245.366 3.724 30 20 BHED C=CCCC(=O)Nc1cc(C)c(F)cc1Cl 288692891 CGNYZRLRIQMIPI-UHFFFAOYSA-N 241.693 3.692 30 20 BHED C=CCC(C)(C)C(=O)NC[C@@H](C)c1ccccc1 292341823 SSMICFASXCGTBS-CYBMUJFWSA-N 245.366 3.509 30 20 BHED CC(C)(C)C[C@@H]1CCN(CCC(C)(C)C#N)C1 307769580 DTGJWQIRRNXFCF-ZDUSSCGKSA-N 236.403 3.684 30 20 BHED C=CCCCCCCNC1CCC(OC)CC1 310118943 AESNZIAGAKHURD-UHFFFAOYSA-N 239.403 3.670 30 20 BHED C=CCC(C)(C)CNC[C@H](C)c1ccccc1 310135649 BZGYSFFOKUYHEU-AWEZNQCLSA-N 231.383 3.982 30 20 BHED C=CC[C@H](CC)NCc1ccc(F)c(Cl)c1 381304225 JIDQSAWMFCBCCO-NSHDSACASA-N 241.737 3.923 30 20 BHED C=CC[C@H](CC)NCc1cccc(Cl)c1F 381337910 WLSNLUMNAFTQRK-NSHDSACASA-N 241.737 3.923 30 20 BHED CC(C)(C#N)CCCN1CC(C)(C)[C@@H]2CCC[C@H]21 386090302 PAUCNVFKDFQYIH-ZIAGYGMSSA-N 248.414 3.827 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccccc1OC 393753934 GOSDFSZEBIPTNN-CHWSQXEVSA-N 233.355 3.701 30 20 BHED C=CC(C)(C)CNC[C@H](C)c1ccccc1 395394214 QEYCSYGDBXDMJB-ZDUSSCGKSA-N 217.356 3.592 30 20 BHED C=CCC1(C(=O)N(C)[C@@H](C)C2CCC2)CCCC1 410655864 ILZOBJCCRLHREC-ZDUSSCGKSA-N 249.398 3.770 30 20 BHED C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](CC)CCCC 436311896 YHSQEHHADPMFBI-KKUMJFAQSA-N 239.403 3.526 30 20 BHED C=CCCC1(C(=O)N[C@H](C)CC(C)(C)C)CC1 457187957 FJQHGVSJAGJBOM-GFCCVEGCSA-N 237.387 3.674 30 20 BHED C=CCN(C(=O)[C@@H]1C[C@]1(C)CC)c1ccccc1 466411944 IUWBZGQOEQGJQG-HOCLYGCPSA-N 243.350 3.642 30 20 BHED N#C[C@@H]1CC[C@H](N[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 471591781 ZYSGJLNPZVNSDK-RBGFHDKUSA-N 246.398 3.627 30 20 BHED Cc1cc(SCC[C@H]2CCCO2)ccc1C#N 516927087 WLFRKYWFOHWOPO-CYBMUJFWSA-N 247.363 3.528 30 20 BHED N#Cc1cccc(CSCCCCCF)c1 517401655 XNHJOXUOOVNBHK-UHFFFAOYSA-N 237.343 3.931 30 20 BHED C=CCCN[C@H](c1ccc(F)cc1)C1CCC1 532687539 CVYSIESIRWHSQR-HNNXBMFYSA-N 233.330 3.833 30 20 BHED C=CCCCC(=O)NCC1(C)CCCCCC1 538439357 VHMGVQQBIPECSG-UHFFFAOYSA-N 237.387 3.819 30 20 BHED CCC(C)(C)OCc1ccccc1N[C@H](C)C#N 544410020 ZWNQHXZOTFFIGZ-GFCCVEGCSA-N 246.354 3.716 30 20 BHED C=CCCCCCNc1nccnc1C(F)F 573137166 FVTNUJLCMFIBSB-UHFFFAOYSA-N 241.285 3.573 30 20 BHED CC[C@@H](CNc1cccc(C#N)c1)CC(F)F 594703273 YLSCSTWOPNTILD-SNVBAGLBSA-N 238.281 3.652 30 20 BHED N#Cc1cc(F)cc(NC2CCC3(CC2)CC3)c1 696208014 HVHOASKCGZXPAO-UHFFFAOYSA-N 244.313 3.832 30 20 BHED C=C(C)CCOC(=O)[C@H](CC)Cc1ccccc1 744300247 UDDFBKFKJNXUCK-OAHLLOKOSA-N 246.350 3.765 30 20 BHED C[C@H](CC=NNC1CCCC1)c1ccccc1 755689548 PKHRMNIJLYCLER-CYBMUJFWSA-N 230.355 3.698 30 20 BHED CCCCCCC=NOCc1cccnc1 755804977 PJAUQTDBXQYTAD-UHFFFAOYSA-N 220.316 3.554 30 20 BHED C#CCCN1CCC[C@H]1[C@H](CC)c1ccccc1 760819401 JIELWKRRDWOWKO-SJORKVTESA-N 241.378 3.668 30 20 BHED C#CCCCN(CC)[C@@H](CC)Cc1ccccc1 766906006 OROYMRUHAQUBHZ-KRWDZBQOSA-N 243.394 3.743 30 20 BHED CC#CCCCC(=O)OCc1cc(C)cc(C)c1 767662498 CGSZKFREAFNIHN-UHFFFAOYSA-N 244.334 3.540 30 20 BHED C[C@H]1CC(=NNC2CCCCC2)C[C@H](C)C1 786039885 ILOZNAVZFHULCS-VXGBXAGGSA-N 222.376 3.721 30 20 BHED CC(CC1CCC1)=NNc1cccc(Cl)n1 793173597 BLOUNOXCQYPZFB-UHFFFAOYSA-N 237.734 3.713 30 20 BHED CCCCCCCCOC(=O)c1ccc(C#N)o1 796154505 RDXYXZHVDNVTIR-UHFFFAOYSA-N 249.310 3.669 30 20 BHED Cc1cccnc1NN=C1CCC[C@H]1CCCF 800816514 MBUBAMNWOVUESL-LBPRGKRZSA-N 249.333 3.708 30 20 BHED CCCC[C@@H](C)C(C)=NOC/C=C\Cl 811670623 WXQSIZOJXIEQOA-ZOBMCPEUSA-N 217.740 3.958 30 20 BHED CCCCCCCC(=O)N1CC(CC)(CC)C1 818109035 PGCVUECLTLGXNR-UHFFFAOYSA-N 239.403 3.996 30 20 BHED C=C[C@@H](C)ON=C1CC(c2ccccc2C)C1 844621636 JNFOYTLEQPOFAB-PZORYLMUSA-N 229.323 3.820 30 20 BHED C=CC[C@@H]1CCCCC1=NNc1cccc(F)n1 853344246 IXFFEQPMAZVHQA-LLVKDONJSA-N 247.317 3.755 30 20 BHED C[C@H](C#N)S[C@H](C)c1ccccc1F 1472983859 ZYWVLAFWTQDIBY-RKDXNWHRSA-N 209.289 3.532 30 20 BHED CC[C@@H](NC[C@@H](C)CCC#N)c1ccc(F)cc1 1474385669 ALAVDAKGSCSINJ-SWLSCSKDSA-N 248.345 3.806 30 20 BHED C[C@H]1CCC[C@H](CSc2cccnc2C#N)C1 1641128147 BBYMQACBQXZLLZ-RYUDHWBXSA-N 246.379 3.872 30 20 BHED C[C@H]1CCC[C@@H](CCN(CCC#N)CC2CC2)C1 1657466495 CSNUGWXMYLPLHS-GJZGRUSLSA-N 248.414 3.828 30 20 BHED CC(C)(C)CCNc1snc(Cl)c1C#N 48559151 ATAHPBUOKUTFLV-UHFFFAOYSA-N 243.763 3.516 30 20 BHED N#Cc1ccc(Cl)cc1NCCC(F)(F)F 63100497 LNHWORRHQOPXKY-UHFFFAOYSA-N 248.635 3.576 30 20 BHED CCC[C@]1(C)CCCN(CCCCC#N)C1 76145939 MOONMTPFDCOFRH-CQSZACIVSA-N 222.376 3.582 30 20 BHED C=C(CC)CN[C@@H](C)c1cc(C)sc1C 85057952 GQFIZCQLDMCBJJ-NSHDSACASA-N 223.385 3.982 30 20 BHED C=CCCNc1ccc(F)c(Br)c1 132999754 HYZRSLFXQZANOZ-UHFFFAOYSA-N 244.107 3.576 30 20 BHED CC1(C)CCC[C@@H](NCc2ccc(C#N)s2)C1 161133388 YYOBKYPCSPHCNX-LLVKDONJSA-N 248.395 3.678 30 20 BHED C#CCCCN[C@H]1C[C@H](c2ccccc2)C1(C)C 184560121 NQLXWQDDRJPHIU-CVEARBPZSA-N 241.378 3.572 30 20 BHED C=CCC1(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)CCC1 191867248 KESIWXDFJUKGLL-ZIAGYGMSSA-N 249.398 3.770 30 20 BHED Cc1ccsc1C(=O)/C=C\c1scnc1C 255565067 GPORBXZAYDVZKJ-ARJAWSKDSA-N 249.360 3.718 30 20 BHED C=CCCCOC(=O)C[C@@H]1CCc2ccccc21 261467892 USUGOPGFLXOXNU-AWEZNQCLSA-N 244.334 3.616 30 20 BHED CC(C)(C)N(CCCC#N)Cc1ccccc1 268470589 HWSMJUGFHSKTBA-UHFFFAOYSA-N 230.355 3.591 30 20 BHED Cc1ccccc1S[C@@H]1CC[C@H](C#N)C1 278581015 OTSIJZHBQISKJB-NWDGAFQWSA-N 217.337 3.779 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccc(C)o1 281571615 KMLQKXQTUCUXJS-VXGBXAGGSA-N 207.317 3.593 30 20 BHED N#Cc1cccc(C#N)c1Sc1cccs1 302438377 MRIDEKVRGDCWCS-UHFFFAOYSA-N 242.328 3.643 30 20 BHED CC(C)N(CCC1CC1)Cc1ccc(C#N)cc1 336783533 AMLLVMNXXKOJKC-UHFFFAOYSA-N 242.366 3.569 30 20 BHED CC(C)CC[C@@H]1CCC[C@@H]1N[C@@H](C)CCC#N 411617590 UHEBDFBDZMOGID-KKUMJFAQSA-N 236.403 3.873 30 20 BHED C=CC[C@H](C)N[C@H](C)[C@@H]1C[C@H]1c1cccs1 417309686 JTMPVOHKNFVCNB-QNWHQSFQSA-N 235.396 3.794 30 20 BHED C=CCC[C@H](CCC)NC[C@@H]1CC12CC2 417337218 LBCLEOOCPUQOOL-STQMWFEESA-N 207.361 3.511 30 20 BHED CC(C)N(CC1(C#N)CCC1)C1CC(C)(C)C1 452111696 VIGMDPKERPLREN-UHFFFAOYSA-N 234.387 3.579 30 20 BHED CCCC[C@@H]1CCC[C@@H]1NCC(C)(C)CC#N 459730423 MDHDMIMQVXQNOC-KGLIPLIRSA-N 236.403 3.875 30 20 BHED C=CCC1(C(=O)NCC2(CCC)CCC2)CCC1 477829871 YYEJKQMCHVBTMT-UHFFFAOYSA-N 249.398 3.819 30 20 BHED C=CCC1(C(=O)N[C@H]2CCC[C@@H](CC)C2)CCC1 479977298 CMIVPIQOMDEPQD-KGLIPLIRSA-N 249.398 3.818 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCCO[C@H]1CC(C)C 480748807 IUKYSXONYHJXDO-ZNMIVQPWSA-N 239.403 3.524 30 20 BHED C=C(C)CCN(C)Cc1ccc(Cl)c(F)c1 508969920 ZEHHEQVDELPGIW-UHFFFAOYSA-N 241.737 3.877 30 20 BHED C=CCCN1CCC[C@@](C)(c2ccccc2)C1 524812195 YNQUFLUZNGVGDG-MRXNPFEDSA-N 229.367 3.616 30 20 BHED CCC(C#N)(CC)c1nc([C@H](C)C(C)(C)C)no1 528128579 NNVRFFQKAGKISI-JTQLQIEISA-N 249.358 3.801 30 20 BHED C=C(CC)CSCc1cc(C#N)ccc1OC 537993483 NMMQAGFBRWBPKX-UHFFFAOYSA-N 247.363 3.766 30 20 BHED C=CCCC(=O)N(CCCC)C1CCCCC1 563899644 CBTLAABVKANOCJ-UHFFFAOYSA-N 237.387 3.914 30 20 BHED C=C(CC)CN[C@@H](C)[C@@H](C)c1ccc(OC)cc1 569649223 JOWNDGLMUDWXDB-KGLIPLIRSA-N 247.382 3.743 30 20 BHED C=CCCCC[C@H](C)NC1CCC(OC)CC1 571272425 GULDMBGAQBNXFN-NFOMZHRRSA-N 239.403 3.669 30 20 BHED C=CCCCCNc1cc(NC(C)=O)ccc1C 571871238 WPYKAOFHZKLGLW-UHFFFAOYSA-N 246.354 3.722 30 20 BHED CCCC[C@@H](C)N(C)Cc1ccc(F)cc1C#N 577665120 BNNNRMNOTXIYHZ-GFCCVEGCSA-N 248.345 3.708 30 20 BHED CC1(C)C[C@@]1(NCCCCC#N)c1ccccc1 595908298 GVVWLTSPQSKUOR-MRXNPFEDSA-N 242.366 3.595 30 20 BHED C[C@H](CC#N)c1nc(C2CCC(C)(C)CC2)no1 596597960 CHMCOPKGRGHWNZ-SNVBAGLBSA-N 247.342 3.771 30 20 BHED CCCC[C@@H]1CCC[C@@H]1NC[C@H](C)CCC#N 602535017 LGCDUWGHSADZRH-KFWWJZLASA-N 236.403 3.875 30 20 BHED CCC(CC)(CC)CNC[C@H](C)CCC#N 602571579 VWFJFPWYXDGZDI-CYBMUJFWSA-N 224.392 3.732 30 20 BHED N#C[C@@H]1CC[C@H](NC2CCC(=C3CCC3)CC2)C1 602694894 OSOPWSBPJGOUOK-WBMJQRKESA-N 244.382 3.691 30 20 BHED Cc1ccc(C=NOCc2ccccc2)cc1F 731486081 CFHQQQBUZGCMIB-UHFFFAOYSA-N 243.281 3.685 30 20 BHED C=CCCC(CC)=NNCc1ccccc1 750931805 SREUMQDXOCGXHR-UHFFFAOYSA-N 216.328 3.508 30 20 BHED Cc1cccc(C)c1C=NNc1cccc(F)c1 755661606 IAZGSYQOCBALMY-UHFFFAOYSA-N 242.297 3.889 30 20 BHED CC(C)[C@@H]1CCCCC1=NOCC(F)(F)F 764845181 QXRNHXLGDFSAID-VIFPVBQESA-N 237.265 3.768 30 20 BHED CC(=NNc1cccc(C)c1)c1cncc(C)c1 767358486 KSJPXHZVNPPVHO-UHFFFAOYSA-N 239.322 3.535 30 20 BHED C#CCCCCCC(=O)Nc1cccc(C)c1 779704586 SCITTYUUHQWZNJ-UHFFFAOYSA-N 229.323 3.517 30 20 BHED C=C[C@H]1CCCCN1Cc1ccc(CF)cc1 785998837 OJDTXYPXOYJXNV-HNNXBMFYSA-N 233.330 3.697 30 20 BHED CC[C@@H](C)NN=C1CCC[C@H]1CCC(C)C 790186857 CEVOQBZARNMAMQ-OLZOCXBDSA-N 224.392 3.967 30 20 BHED Fc1cc(F)cc(NN=C2CCC23CCC3)c1 799876616 VSDULEOQSQRCLS-UHFFFAOYSA-N 236.265 3.697 30 20 BHED C=CCCCCCOC(=O)c1cc(C)cc(C)n1 801445994 NBCCYHMSCBFALQ-UHFFFAOYSA-N 247.338 3.602 30 20 BHED CCC(CC)Sc1nc(Cl)c(C#N)s1 804401929 BJGONGVHGLYFKI-UHFFFAOYSA-N 246.788 3.949 30 20 BHED C#CCCCN1CC[C@H](C(C)(C)C)C[C@@H]1C 805839178 OGQKHYLOLHQVNB-KBPBESRZSA-N 221.388 3.546 30 20 BHED CCCCNN=C1CC[C@H](c2ccccc2)C1 814806028 TZPFTYKMWKGUQU-AWEZNQCLSA-N 230.355 3.700 30 20 BHED C[C@@H](C=NOCC(F)(F)F)C1CCCCC1 814881546 YWRDKZLZPIKUEQ-VIFPVBQESA-N 237.265 3.768 30 20 BHED FC(F)CON=C1CCCC12CCCCC2 834969251 QYQZNCXHXIOWOJ-UHFFFAOYSA-N 231.286 3.759 30 20 BHED CCC(=NNc1ncccc1Cl)[C@@H]1C[C@H]1C 841620406 WKMDIQFHZURQDW-RKDXNWHRSA-N 237.734 3.569 30 20 BHED C=C(C)c1ccc([C@@H](O)C2CCC2)cc1 844234898 QECGMIQJICCMMD-AWEZNQCLSA-N 202.297 3.553 30 20 BHED C=C[C@H](C)ON=C(C)CCc1ccccc1F 844626074 XEBRODLBXDDMCN-LBPRGKRZSA-N 235.302 3.725 30 20 BHED C=CC[C@H]1CCCC[C@H]1OC(=O)CC(C)(C)C#N 851144597 SDZFPINXDQBAGX-QWHCGFSZSA-N 249.354 3.604 30 20 BHED CCC[C@H](C)c1noc(C(C#N)(CC)CC)n1 858680889 BBZRVBHLAICTEV-JTQLQIEISA-N 235.331 3.555 30 20 BHED C=C(C)CCSc1nc2cnccc2s1 863361352 HHPISFFYNFQNIT-UHFFFAOYSA-N 236.365 3.750 30 20 BHED CCCCC(C)=NNc1ccc([N+](=O)[O-])cc1 916245154 XUGYNIAAVHSIEL-UHFFFAOYSA-N 235.287 3.573 30 20 BHED Cc1cc(SC/C=C\Cl)ccc1C#N 1189584829 XYZSDHWJFYEHNC-DJWKRKHSSA-N 223.728 3.711 30 20 BHED CCc1ccc(CNc2cccc(C#N)c2)s1 20051510 KDFQGMLBQGDAKW-UHFFFAOYSA-N 242.347 3.794 30 20 BHED CCCCCCCCOC(=O)c1cscn1 102944917 VZYLFXLVKNNFKK-UHFFFAOYSA-N 241.356 3.660 30 20 BHED C=CC[C@@H](C)NC(=O)c1csc2ccccc12 116856066 HVJYYOJPOVJUMJ-SNVBAGLBSA-N 245.347 3.596 30 20 BHED C=CCN(C)[C@H](C)c1sc(C(C)C)nc1C 120972760 GSFAKVJSTMABGF-LLVKDONJSA-N 238.400 3.754 30 20 BHED C=CCN(C)[C@@H](C)c1ccc(F)c(Cl)c1 121311052 XOXJNPVIUNXGEH-VIFPVBQESA-N 227.710 3.658 30 20 BHED CCCCCCCN(C)Cc1c(C)noc1C 157560907 CLVQCCYUKVCRMM-UHFFFAOYSA-N 238.375 3.694 30 20 BHED C=CCCCc1nc(C2CCCCC2)no1 178405232 WIOBISLDSKFWGA-UHFFFAOYSA-N 220.316 3.626 30 20 BHED C=CCCCCCN(C)Cc1ccccc1O 179577002 OWIZJPJVOJNWJQ-UHFFFAOYSA-N 233.355 3.570 30 20 BHED C=C(C)CN(CC)[C@H](C)c1ccccc1F 195732566 SUWVHBHCSDGCIH-GFCCVEGCSA-N 221.319 3.785 30 20 BHED N#Cc1ccc(CSCCC(F)(F)F)cc1 217057145 KCVFVXXJLZDKLT-UHFFFAOYSA-N 245.269 3.744 30 20 BHED Cc1cc(F)cc(N=Cc2ccccc2O)c1 255542638 KZEKGLIFMJCYIT-UHFFFAOYSA-N 229.254 3.590 30 20 BHED Cc1ccoc1C(=O)/C=C\c1ccccc1F 255674137 MPTYGNBUXWVVHP-SREVYHEPSA-N 230.238 3.623 30 20 BHED C=CCCC(=O)Nc1ccccc1C(C)C 263716311 XEFWPZNNYILXIV-UHFFFAOYSA-N 217.312 3.715 30 20 BHED N#C[C@H](Sc1ccncc1)C1CCCCC1 269384974 ASYGLSKYOARGPI-ZDUSSCGKSA-N 232.352 3.646 30 20 BHED C[C@@H]1C[C@@H](NCCCCC#N)c2ccccc21 289213013 KOSABCXRRONUJN-IUODEOHRSA-N 228.339 3.518 30 20 BHED C=C(CC)CSCc1cnc(Cl)s1 308303891 NIKXNLFCRKLKOQ-UHFFFAOYSA-N 233.789 3.996 30 20 BHED Cc1ccc([C@@H](C)N(C)CC2(C#N)CC2)c(C)c1 343145686 WTODKNCUOAUTKB-CQSZACIVSA-N 242.366 3.600 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc2ccoc2c1 349200890 JDEJNBNWNPLPFN-UHFFFAOYSA-N 243.306 3.974 30 20 BHED C=C(Cl)COc1ccc(SC)cc1 379370722 GQFNAPTYKJUFPL-UHFFFAOYSA-N 214.717 3.540 30 20 BHED Cc1cc(C)cc([C@@H](C)NCC2(CC#N)CC2)c1 430762210 NVTGFUMLGHLXKB-CQSZACIVSA-N 242.366 3.648 30 20 BHED CCCOc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 442863085 CBMCJSPYKRIJKZ-TZMCWYRMSA-N 244.338 3.580 30 20 BHED C=CCC1(NCc2cccnc2C)CCCCC1 449578093 ZFDRIUQRGWMRBU-UHFFFAOYSA-N 244.382 3.759 30 20 BHED C=CCC(CC=C)C(=O)Nc1ccc(F)c(C)c1 467332441 PJDBPDRZPRLWDE-UHFFFAOYSA-N 247.313 3.841 30 20 BHED CC(C)CN(C)Cc1ccccc1C(C)(C)C#N 487372581 UOGPKGFYWSJEDV-UHFFFAOYSA-N 244.382 3.576 30 20 BHED C=CCCN(C)C(=O)Nc1ccc(/C=C\C)cc1 497396492 ULMZFZCFESEHLE-ALCCZGGFSA-N 244.338 3.760 30 20 BHED C=C(C)CCN1C[C@H](c2ccc(F)cc2)C[C@@H]1C 509667353 QTMLMQQHMPYJRH-DZGCQCFKSA-N 247.357 3.970 30 20 BHED Cc1cn(Cc2cccc(Cl)c2F)cc1C#N 567007709 YVHDXKJQWZOLLB-UHFFFAOYSA-N 248.688 3.509 30 20 BHED CCCc1ccc(CN(C2CC2)[C@H](C)C#N)cc1 595710251 OQADBEPHTGVBQV-CYBMUJFWSA-N 242.366 3.516 30 20 BHED C[C@@H](CCC#N)CN1CC=C(C(C)(C)C)CC1 602492270 FQSQHNPUWUPMPG-ZDUSSCGKSA-N 234.387 3.604 30 20 BHED C=CCCNC(=O)c1ccc(C2=CCCC2)cc1 617618295 KCHBOPRXBOOYRW-UHFFFAOYSA-N 241.334 3.560 30 20 BHED N#C[C@H]1CCC[C@@H](Nc2cccc3cc[nH]c23)C1 618578743 VEJRWEPKIRIXQU-WCQYABFASA-N 239.322 3.662 30 20 BHED CCCCCCCC(=O)N1CCC[C@@H](C)[C@H]1C 741587207 KUUIJEZBAWCAJX-ZIAGYGMSSA-N 239.403 3.994 30 20 BHED O=C1/C(=C/C=C\c2ccccc2)Oc2ccccc21 742437950 XYJMNEPQPDTBDK-AMHMVXRNSA-N 248.281 3.859 30 20 BHED CCC(=NNc1ccc(F)cc1C)C1CC1 750938840 OZOOZTPESUUSOJ-UHFFFAOYSA-N 220.291 3.722 30 20 BHED C=C[C@H](C)NC(=O)[C@H](CC)CCCCCC 757014263 WYMKWGPEKJSYIM-QWHCGFSZSA-N 225.376 3.674 30 20 BHED CC[C@H]1CCCC1=NNc1ncccc1Cl 758371334 AKMFAJMUFMJCMJ-VIFPVBQESA-N 237.734 3.713 30 20 BHED C#CCN(C1CCCC1)[C@H](C)c1ccccc1 770504410 DWGGKSNHEKQGEQ-CQSZACIVSA-N 227.351 3.625 30 20 BHED CC(C)=C(C)C(=O)O[C@H](C)c1cccc(C#N)c1 784042077 XHORHVMFUDMRQM-GFCCVEGCSA-N 243.306 3.519 30 20 BHED CC1(C)CCC1=NNc1ccc2ccccc2n1 788950258 FVDAXBNUOJWUAD-UHFFFAOYSA-N 239.322 3.823 30 20 BHED Clc1ccc(NN=CCCC2CC2)cc1 807942375 QPUJLXODSGSJBC-UHFFFAOYSA-N 222.719 3.928 30 20 BHED C#C[C@H](CC)NCc1cc2cc(C)c(C)cc2o1 809685901 YJGKUBNZCMDMGN-CQSZACIVSA-N 241.334 3.551 30 20 BHED C=CCCCCCCCN[C@H](C)c1ccnn1C 810243258 NFCZEHNFFLEXMU-CQSZACIVSA-N 249.402 3.597 30 20 BHED CCC(CC)CNN=Cc1cccc2cc[nH]c12 814906259 MLDVFHUNFKMJGH-UHFFFAOYSA-N 243.354 3.528 30 20 BHED CC(C)(C)Sc1ccc(NCCC#N)cc1 819431569 VNNNQZMCPVGAAM-UHFFFAOYSA-N 234.368 3.903 30 20 BHED C=CC[C@H](N[C@H](CC)[C@@H]1C[C@@H]1C)c1ccncc1 840723190 OBLFORBVVHARBW-XZDPQHSOSA-N 244.382 3.723 30 20 BHED CCCON=C(C)CCc1ccccc1F 842557776 SQVRISIFUUUDRG-UHFFFAOYSA-N 223.291 3.561 30 20 BHED C[C@@H](CC(C)(C)C#N)OC(=O)[C@@]1(C)CC=CCC1 851206187 PCWPLOVBPRHJHU-WFASDCNBSA-N 249.354 3.604 30 20 BHED CCC(CC)(CC)S[C@@H](C#N)C1CC1 865364368 HVDBWRZYQVVENY-NSHDSACASA-N 211.374 3.991 30 20 BHED C#CCCCCCCN[C@H](CC)c1ccncc1 877058754 LYFPQOKOVBOCAX-MRXNPFEDSA-N 244.382 3.706 30 20 BHED CCSc1ccccc1CON=CC1CC1 902530729 BJYFLDKGFNJYMB-UHFFFAOYSA-N 235.352 3.711 30 20 BHED C=CCC1(c2nc(CC(C)C)no2)CCCC1 904413157 JUKUDWQZIDYAHP-UHFFFAOYSA-N 234.343 3.656 30 20 BHED Cc1cc(C=NNc2cccc(Cl)c2)c(C)[nH]1 917563757 ULSFKRYBIUEOGM-UHFFFAOYSA-N 247.729 3.731 30 20 BHED CCC[C@@H](Nc1cc(C)c(C#N)cn1)C1CCC1 1186675346 HXJAMOQNMYKQOE-CQSZACIVSA-N 243.354 3.642 30 20 BHED CN(CCC1CCCCC1)CC1(CC#N)CC1 1473137704 UZRCKIMRKQDEJF-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C=CCOc1ccc(CN[C@H](C)CCC)cc1 21802627 NNKICIZTEHUYPP-CYBMUJFWSA-N 233.355 3.530 30 20 BHED C=CCCCOc1cc(C)ccc1C(C)=O 70592608 VNNFHGFWMORHFN-UHFFFAOYSA-N 218.296 3.543 30 20 BHED CCN(CCC(C)(C)C#N)c1cccc(C)c1 87595209 PQGNWSODPMTKQD-UHFFFAOYSA-N 230.355 3.761 30 20 BHED C=C(C)CSc1ccc(Br)cn1 97150671 KESZCRKCCIUBBX-UHFFFAOYSA-N 244.157 3.512 30 20 BHED C=CCCC(=O)Nc1ccccc1C(F)(F)F 102211200 OJYPKRWLNQKUEV-UHFFFAOYSA-N 243.228 3.610 30 20 BHED C=CC[C@@H](C)NC(=O)C[C@@H](C)c1ccccc1C 116851557 SDZLGOFGDXARRT-ZIAGYGMSSA-N 245.366 3.569 30 20 BHED CC[C@H](C#N)Sc1ccnc2ccccc12 127636141 IGFOJGMXDRDWMP-SNVBAGLBSA-N 228.320 3.629 30 20 BHED CCCCCCCC(=O)N(C)CCCC 127747595 XXULLCVORIZHRC-UHFFFAOYSA-N 213.365 3.605 30 20 BHED CC#CCN[C@@H](Cc1ccccc1)c1ccccc1 135019662 PRMSVPSTWNXAQE-SFHVURJKSA-N 249.357 3.583 30 20 BHED CCC[C@H](NCCCCC#N)c1ccccc1 182333292 ACJSFRFCCSLBSD-HNNXBMFYSA-N 230.355 3.811 30 20 BHED C=CCC[C@@H](C)NC1(c2ccccc2F)CC1 186322802 ILFHGHSFRLDXBC-GFCCVEGCSA-N 233.330 3.759 30 20 BHED CC[C@@H]1CCCC[C@@H]1NCC(C)(C)CCC#N 229680838 GVSQDNWWEUGVEX-KGLIPLIRSA-N 236.403 3.875 30 20 BHED CC(C)[C@@H]1CCCN1CCCCC(C)(C)C#N 232706378 LOPOCWAYCXZFKF-AWEZNQCLSA-N 236.403 3.827 30 20 BHED Oc1ccccc1C=Nc1cccc2ncccc12 252640198 YRCAVMOAWHDVBI-UHFFFAOYSA-N 248.285 3.691 30 20 BHED C[C@@H](c1ccc(F)cc1)N1CCC(CC#N)CC1 259812349 VPWWURPCWQDIEU-LBPRGKRZSA-N 246.329 3.512 30 20 BHED C=CCCCCN[C@H](C)c1sc(C)nc1C 274421888 HNDNXJJEDUJUOS-SNVBAGLBSA-N 238.400 3.767 30 20 BHED N#Cc1ccc(CSCCCCF)c(F)c1 285066963 LLLCCQCIZVHOIF-UHFFFAOYSA-N 241.306 3.680 30 20 BHED CSc1ccccc1[C@H](C)N[C@@H](C)CCC#N 297935817 AAQHZZVCOOCSJY-RYUDHWBXSA-N 248.395 3.751 30 20 BHED Cc1cc([C@@H](C)N[C@@H](C)CCC#N)c(C)s1 299720739 SGQHPHRRBWVOGL-GXSJLCMTSA-N 236.384 3.708 30 20 BHED CC[C@@H](C)CSc1ccc(Cl)c(C#N)n1 301605868 MQVBYROFQVKRHA-MRVPVSSYSA-N 240.759 3.745 30 20 BHED C=CC[C@H](CC)Nc1ccnc(C)c1Cl 308942994 MTIONDBWBRQCQY-JTQLQIEISA-N 224.735 3.810 30 20 BHED N#Cc1c(F)cccc1N1CCCCCCCC1 321920730 IWYGGECAWLALHK-UHFFFAOYSA-N 246.329 3.858 30 20 BHED C=CCC[C@H](C)N[C@@H](C1CCC1)C1CC1 325044844 NQDCAIOKILITNB-FZMZJTMJSA-N 207.361 3.509 30 20 BHED C=CCC[C@H](CCC)N[C@H]1CS[C@@H](C)C1 414237211 WHMJLROMURZDQI-RWMBFGLXSA-N 227.417 3.605 30 20 BHED C=CCC(C)(C)c1nc(C2CCCC2)no1 426438022 QUKLUTYNUWKZQL-UHFFFAOYSA-N 220.316 3.581 30 20 BHED C[C@@H](CNCC1(CC#N)CC1)CC1CCCCC1 430004476 KYAIKOAFZBSOEK-CQSZACIVSA-N 248.414 3.876 30 20 BHED C=CCC1(CN[C@H](C)C2CC2)CCCC1 449606783 RZUYZIBMJCNTLB-GFCCVEGCSA-N 207.361 3.511 30 20 BHED C=CCCN(C)C(=O)N[C@H](CCC)CCCC 466782741 PDZPXXBMQUCSGU-CYBMUJFWSA-N 240.391 3.563 30 20 BHED C=CCCN(C)[C@@H]1CCc2ccc(Cl)cc21 467293507 LARFBOHEFQFZCO-CQSZACIVSA-N 235.758 3.835 30 20 BHED CC[C@H](C#N)SC1CCC(C)(C)CC1 468401242 BTBHYUUPZLPXIR-SNVBAGLBSA-N 211.374 3.991 30 20 BHED C=C(C)CN(Cc1ccccc1F)CC(C)C 521189446 BYCRRABWMAVAPT-UHFFFAOYSA-N 235.346 3.860 30 20 BHED C=CCCCN(C)Cc1ccc(Cl)c(F)c1 535681955 VUWZPGPBNWTAGL-UHFFFAOYSA-N 241.737 3.877 30 20 BHED C=C(CC)CN1CCc2ccccc2[C@H]1C 538003440 WGPJPEBCDSQYQX-CYBMUJFWSA-N 215.340 3.572 30 20 BHED C=CCc1ccccc1OCc1conc1CC 567123352 FJBWAROUFWGBKM-UHFFFAOYSA-N 243.306 3.545 30 20 BHED C=C[C@@](C)(CC)c1nc(-c2sccc2C)no1 582492722 QQTZEMFVWLKASU-ZDUSSCGKSA-N 248.351 3.960 30 20 BHED CC[C@H](NC[C@@H](C)CCC#N)c1ccccc1 602523463 CVDSUPLFZUMIAZ-ZFWWWQNUSA-N 230.355 3.667 30 20 BHED C=CCCCN[C@@H](C)c1cc2ccncc2s1 657996380 PPOCCWBYVOPBFS-NSHDSACASA-N 246.379 3.913 30 20 BHED C#Cc1cccc(NC(=O)C[C@H](C)CC(C)C)c1 727661925 FURGBWXUWNTOLO-CYBMUJFWSA-N 243.350 3.679 30 20 BHED Fc1ccccc1NN=C[C@H]1C[C@H]2CC[C@H]1C2 762417730 JIXPWJSQFXRKAK-SDDRHHMPSA-N 232.302 3.660 30 20 BHED C#CCCCN1CCc2ccccc2[C@H]1C(C)C 766906060 PJLFBZCSOPQAHO-QGZVFWFLSA-N 241.378 3.655 30 20 BHED C=CC[C@@H](C)NC(=O)C=C(CCC)CCC 770759414 VUYFGALRBLJIPD-GFCCVEGCSA-N 223.360 3.594 30 20 BHED CCCC(=CC(=O)OCCCCC#N)CCC 771139123 KJTDZIOPFMHYIZ-UHFFFAOYSA-N 237.343 3.750 30 20 BHED CC1(C)CCC1=NNCc1cccc(Cl)c1 789024584 XJAMAFLCBPTHJR-UHFFFAOYSA-N 236.746 3.606 30 20 BHED C1CCCC(=NOCCC2CC2)CCC1 814247185 VLIGXRUXIXGZAY-UHFFFAOYSA-N 209.333 3.903 30 20 BHED CCC(C=NNc1nc(C)cc(C)n1)(CC)CC 814681602 TYPABZQLZRESSG-UHFFFAOYSA-N 248.374 3.708 30 20 BHED Fc1cc(Cl)cc(NN=C2CCCC2)c1 853396663 OFVBAQALTLIIGZ-UHFFFAOYSA-N 226.682 3.821 30 20 BHED CCc1ccc([C@@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1 1254646553 BHUGOTIGLGWJCK-XPKDYRNWSA-N 242.366 3.592 30 20 BHED C=C(C)COC(=O)[C@@H](C)CC1CCCCC1 1318499429 TYDGZXQKZMDJAQ-LBPRGKRZSA-N 224.344 3.712 30 20 BHED C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CCCC[C@H]2C1 1348958528 URJBADLBWWQZJB-KBPBESRZSA-N 249.398 3.627 30 20 BHED CCCCCCCC(=O)NCCCC(F)F 1354258604 UPXZEYWZHWGMOA-UHFFFAOYSA-N 235.318 3.508 30 20 BHED C=CCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 48043334 ZSMJSSCGAJYACW-BXUZGUMPSA-N 231.339 3.553 30 20 BHED Cc1ccnc(N[C@@H](C)C2CCCCC2)c1C#N 135075285 HNSNEQBEDFNPEO-LBPRGKRZSA-N 243.354 3.642 30 20 BHED N#CCC1(COc2ccc(Cl)c(F)c2)CC1 156274866 AFTAXLHYAYYYTI-UHFFFAOYSA-N 239.677 3.552 30 20 BHED CN(Cc1ccc(C#N)cc1Cl)C1CCCC1 162863830 CKTBUMURQBLHCJ-UHFFFAOYSA-N 248.757 3.586 30 20 BHED N#CCCCN(CC1CCC1)c1ccccc1 177181079 QCUFLZMULLYZTQ-UHFFFAOYSA-N 228.339 3.597 30 20 BHED C=CCC1(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CCC1 191864858 CZLILJAYTMGHDQ-BFHYXJOUSA-N 249.398 3.674 30 20 BHED CCCCCCCCNC(=O)Nc1cccnc1 196295595 UHJLSNAEXPQFMV-UHFFFAOYSA-N 249.358 3.564 30 20 BHED Cc1ccc(OCc2cccc(C#N)c2)cc1F 226418551 UOSWRCJQAFZSTO-UHFFFAOYSA-N 241.265 3.585 30 20 BHED CCC1(CNCc2ccc(C#N)cc2)CCCC1 230200099 VVJDUDZWBWNNJJ-UHFFFAOYSA-N 242.366 3.618 30 20 BHED C=CCC(C)(C)CN[C@@H](C)c1csc(C)n1 293719183 NKGDDHMHKGMFSH-JTQLQIEISA-N 238.400 3.704 30 20 BHED C=CCCNc1c(F)cc(Cl)cc1F 307474670 AHRNLDTZLRZIDV-UHFFFAOYSA-N 217.646 3.606 30 20 BHED C=CC[C@@H](CC)NCc1cc(C)sc1C 308912136 FAEYEMAMFRUBFF-CYBMUJFWSA-N 223.385 3.809 30 20 BHED C=CCCCC(=O)Nc1ccc2ccccc2n1 359073790 PJDLDROFVOIFCI-UHFFFAOYSA-N 240.306 3.530 30 20 BHED C=CCOCCCSCc1ccc(F)cc1 359138473 VGVDHRWDYMQHLC-UHFFFAOYSA-N 240.343 3.652 30 20 BHED CN(Cc1cccc(C2CC2)c1)CC(C)(C)C#N 421380488 JSBYICANRZHHRS-UHFFFAOYSA-N 242.366 3.546 30 20 BHED C=CCC1(C(=O)NCC2=CCCCC2)CCCC1 452294808 XUOYCAPBGKOXGV-UHFFFAOYSA-N 247.382 3.740 30 20 BHED C=CCC[C@@H](CC)N[C@H](CC)C1CCOCC1 462109396 QHICGUVMOGZESR-HUUCEWRRSA-N 239.403 3.526 30 20 BHED CCC[C@]1(C)CCCN(c2ccc(C#N)cc2)C1 463068361 RLYCOXKARJEAPV-MRXNPFEDSA-N 242.366 3.965 30 20 BHED C=C(C)CCN1CCc2c(Cl)cccc2C1 509683113 PNXIITSKZWUVME-UHFFFAOYSA-N 235.758 3.664 30 20 BHED C=CCC(C)(C)c1noc(C(C)(C)C(C)C)n1 560027832 MAUCVVKATCPHLV-UHFFFAOYSA-N 236.359 3.857 30 20 BHED Cc1cccc(Cl)c1CN(C1CC1)[C@@H](C)C#N 595709456 FSVUZRWBKHRFFA-NSHDSACASA-N 248.757 3.525 30 20 BHED C=C(C)CCNc1ccc(OCC2CC2)cc1 690118514 TWNUYDVDDNUKLT-UHFFFAOYSA-N 231.339 3.854 30 20 BHED CCCCCCC=Nn1cnc2ccccc21 755611599 FUASQEHBXHNNAO-UHFFFAOYSA-N 229.327 3.841 30 20 BHED CC(=NOC1CCCC1)c1ccc(F)cc1F 774608570 PIHRAJVKMHPIQG-UHFFFAOYSA-N 239.265 3.648 30 20 BHED CCCCCNc1cc(C#N)ccc1NCC 776848444 DIOURQCUILIKSC-UHFFFAOYSA-N 231.343 3.592 30 20 BHED C1CCC(NN=C2CCC3(CC2)CC3)CC1 792643045 PIWMXJYCXBIAES-UHFFFAOYSA-N 220.360 3.619 30 20 BHED C=CCCCCCCCCNC(=O)c1ccco1 805277835 KGGXAAYAULUJEZ-UHFFFAOYSA-N 249.354 3.926 30 20 BHED C#C[C@H](NC[C@@H](C)c1ccc(F)cc1)C(C)(C)C 809782821 INIJDNPHCDEEBG-DOMZBBRYSA-N 247.357 3.567 30 20 BHED CCC(=NOC/C=C/Cl)c1ccc(F)cc1 811667673 ANJPMMRJCGTAAA-UUOXLLFDSA-N 241.693 3.709 30 20 BHED C1CC(ON=C2CC[C@H]3CCCC[C@H]3C2)C1 812235416 GJURHGASBGPMDH-NEPJUHHUSA-N 221.344 3.902 30 20 BHED COc1cc(C)c(C(C)=NOC2CCC2)cc1C 812236273 IVYXTURFNZGKLC-UHFFFAOYSA-N 247.338 3.605 30 20 BHED CC[C@@H]1CC[C@@H](C)CC1=NOCC1CC1 814244017 XQWBVQQHNGTRNE-ZYHUDNBSSA-N 209.333 3.615 30 20 BHED CCON=C(C)c1nc(-c2ccccc2)cs1 814788846 MXQUZHDFXSAEKS-UHFFFAOYSA-N 246.335 3.571 30 20 BHED Cc1cc(C)c(NN=Cc2nccs2)c(C)c1 814859805 AIRDIFFVVOJBNX-UHFFFAOYSA-N 245.351 3.514 30 20 BHED CC(CC(C)(C)C)=NN[C@H](C)c1ccncc1 819819404 ZANGUXISGCIUGC-GFCCVEGCSA-N 233.359 3.544 30 20 BHED CC1(C=NNc2cc(Cl)nc(Cl)c2)CC1 819828898 UGEGYSGVTLENCE-UHFFFAOYSA-N 244.125 3.586 30 20 BHED Cc1cccc2c1[C@@H](C)C[C@@H]2NCC(C)(C)C#N 903100743 WVKRCQREHPSZPO-JSGCOSHPSA-N 242.366 3.683 30 20 BHED C=C(C)COC(=O)C[C@H](C)CC(C)(C)C 919496849 PZNNQCDKNMLVDM-NSHDSACASA-N 212.333 3.568 30 20 BHED C[C@H]1CCN(CCCCC2(C#N)CCC2)[C@@H]1C 929785109 MJSGHLLAHFEDAR-UONOGXRCSA-N 234.387 3.581 30 20 BHED C=C(Cl)CN[C@@H](C)[C@H]1CCC[C@@H](C)C1 1618570574 ZIACLDJHEFYDJD-USWWRNFRSA-N 215.768 3.543 30 20 BHED C[C@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1F 37412572 QBHDLIAFPBLTLO-GWCFXTLKSA-N 232.302 3.688 30 20 BHED C[C@H]1CCc2ccccc2N1CCCCC#N 42224841 QLPDBUDQEGZFSU-ZDUSSCGKSA-N 228.339 3.522 30 20 BHED C=CCOc1ccc(CN[C@@H](C)[C@H](C)CC)cc1 42552972 VENNXVSOEJYWEP-KGLIPLIRSA-N 247.382 3.776 30 20 BHED CC(C)[C@@H](NCCCCC#N)c1ccccc1 96982334 URSNWFYGTAGWLC-OAHLLOKOSA-N 230.355 3.667 30 20 BHED C=CCCCC(=O)Oc1ccc(Cl)cc1F 175608472 FUQXJJAWOOWRFV-UHFFFAOYSA-N 242.677 3.741 30 20 BHED C[C@H]1CCC[C@@H](CSCCCC#N)C1 190996414 XEVWHMPOQZDZSK-NWDGAFQWSA-N 211.374 3.850 30 20 BHED O=C(/C=C/c1cccc(Cl)c1)c1ccncc1 192761917 IOSZAWVGBZFHEC-SNAWJCMRSA-N 243.693 3.631 30 20 BHED CC(C)[C@H](C)Sc1ccc(C#N)cc1 230923537 MIMYIZJNHLTYID-JTQLQIEISA-N 205.326 3.695 30 20 BHED Cc1nsc(N[C@@H]2C[C@@H](C)C[C@@H](C)C2)c1C#N 252588753 BIFRMSFFQIGONI-JZYVYDRUSA-N 249.383 3.560 30 20 BHED C=C[C@@](C)(CC)c1nc([C@H](C)SCC)no1 290198113 XDEOUIGUVZSGSW-CABZTGNLSA-N 240.372 3.737 30 20 BHED CCCCCCCS[C@@H](C)COC 308498699 VLKTXYPUNJGJNB-NSHDSACASA-N 204.379 3.725 30 20 BHED CCCCCC[C@H]1CCC[C@@H]1NCCC#N 309617769 CFGBFGFUBOYPAN-KBPBESRZSA-N 222.376 3.629 30 20 BHED CCC[C@@H](CC)Nc1ccc(Cl)c(C#N)n1 309685645 HIDVUCINVNDZHP-SECBINFHSA-N 237.734 3.597 30 20 BHED C=C(CC)CN[C@H](C)c1csc(C)c1 313494349 HGAWJRSVNMLTDV-LLVKDONJSA-N 209.358 3.673 30 20 BHED Cc1ccc(C)c2c1CCC[C@H]2NCCCC#N 349326094 SQNDVDQQOBYRGJ-OAHLLOKOSA-N 242.366 3.574 30 20 BHED C=CCC(CC=C)C(=O)N(CC1CC1)C1CCC1 358392360 QRKDTLJCZAMGEF-UHFFFAOYSA-N 247.382 3.546 30 20 BHED C=CCC(C)(C)CNCc1cccc2[nH]ccc12 385954693 AJZAROGZNRRLDV-UHFFFAOYSA-N 242.366 3.860 30 20 BHED C=CCCCCNCc1ccc(Cl)cc1 389659437 BQSWSMCWRGUMPJ-UHFFFAOYSA-N 223.747 3.786 30 20 BHED C[C@@H]1CC[C@@H](SCCC(C)(C)C#N)C1 419475649 NHWSHBWDSXKYTK-GHMZBOCLSA-N 211.374 3.848 30 20 BHED C=C(C)C(C)(C)C(=O)N1C[C@@H](C)CCC[C@H]1C 425514981 RLGAAYZVCQVNNF-QWHCGFSZSA-N 237.387 3.626 30 20 BHED C=CCC(C)(C)C(=O)NC[C@H]1CCC[C@H](C)C1 429821329 PWIDOLVPAOSNSU-STQMWFEESA-N 237.387 3.531 30 20 BHED C=CCCCOc1ccc(NC(=O)C(C)C)cc1 441842618 ZSMOCHOGFXPTAP-UHFFFAOYSA-N 247.338 3.626 30 20 BHED Cc1cc(CN[C@H]2CCC[C@@H](C)C2)ccc1C#N 443972609 YDMKJQWEALVQIJ-WBMJQRKESA-N 242.366 3.535 30 20 BHED CCC[C@H](NCC1(CC#N)CC1)C1CCCC1 449303557 YMOIHGSSVONBAL-AWEZNQCLSA-N 234.387 3.629 30 20 BHED C=CC(C)(C)CNC(=O)[C@@H]1CCCC(C)(C)C1 452777377 UMWKOBIDLCNZQI-GFCCVEGCSA-N 237.387 3.531 30 20 BHED Cc1cc(C)c(CNCC(C)(C)CC#N)c(C)c1 459694908 ODSOWWANAMYCIT-UHFFFAOYSA-N 244.382 3.641 30 20 BHED C=CCN(CC)[C@H](CC)Cc1ccccc1 469072181 SNPLQEIATHEMQQ-OAHLLOKOSA-N 217.356 3.516 30 20 BHED C=CCC[C@H](O)CN(c1ccccc1C)C(C)C 472646196 AOWNHEARGVBHLG-HNNXBMFYSA-N 247.382 3.537 30 20 BHED CC(C)[C@H](C)N(Cc1ccc(C#N)cc1)C1CC1 505276533 HNZVKINZWCFDQJ-ZDUSSCGKSA-N 242.366 3.567 30 20 BHED N#Cc1ccn(CCCc2ccccc2Cl)c1 542219563 DQZQTLHPZDKJKN-UHFFFAOYSA-N 244.725 3.646 30 20 BHED C=CCCOc1cccc(Oc2cccnc2)c1 555412478 ZALHRMANYJKYJB-UHFFFAOYSA-N 241.290 3.829 30 20 BHED C[C@H]1CC[C@H](Sc2ccc(C#N)cc2)C1 569006256 LYRDJAHLTDWKQZ-GWCFXTLKSA-N 217.337 3.839 30 20 BHED C=CCN(CC=C)[C@H](C)CCc1ccccc1 571359156 JWEXLWNRVNYPLR-OAHLLOKOSA-N 229.367 3.682 30 20 BHED O=C(/C=C\c1cc2ccccc2o1)c1ccncc1 588386470 XARQXYMCCKIDGV-WAYWQWQTSA-N 249.269 3.724 30 20 BHED C=CCN(Cc1cccs1)[C@H]1C=CCCC1 590400353 CPYYPWGDLOLTAE-ZDUSSCGKSA-N 233.380 3.845 30 20 BHED Cc1cc(C)cc(NC[C@H](C)CCC#N)c1 602485534 UYWWGICLCDVDDE-LLVKDONJSA-N 216.328 3.655 30 20 BHED CCCC[C@@H](NC[C@@H](C)CCC#N)C1CCC1 602668885 VGRFLYNRLQUGPE-DZGCQCFKSA-N 236.403 3.875 30 20 BHED C=CCCCC[C@H](C)N[C@H]1CCC(F)(F)C1 648482875 UPBOIYPTMORQII-RYUDHWBXSA-N 231.330 3.899 30 20 BHED C=C(Cl)CN(C1CC1)[C@H](C)c1ccccc1 747684388 ZQNZLRSZZFEJKK-GFCCVEGCSA-N 235.758 3.965 30 20 BHED CCC(C[C@H](C)CC)=NO[C@H]1CCCCO1 755816302 DQKIZIPDCUXOCB-YPMHNXCESA-N 227.348 3.732 30 20 BHED CC(=NNc1cc(C)ccn1)c1ccccc1C 755903250 OLMSQNNTWFWDRH-UHFFFAOYSA-N 239.322 3.535 30 20 BHED CCON=C(C)c1cc(Cl)ccc1Cl 767462210 HOSLVFKONQKPDN-UHFFFAOYSA-N 232.110 3.754 30 20 BHED Fc1ccccc1NN=C1CC2(CCC2)C1 772840811 KJURVJDTJSGGTE-UHFFFAOYSA-N 218.275 3.558 30 20 BHED CCOCC(C)=NNc1ccc(C(C)(C)C)cc1 779824990 LSHXLRWVNPOUPK-UHFFFAOYSA-N 248.370 3.808 30 20 BHED CC1CCC(=NN[C@@H](C)C(C)(C)C)CC1 793111745 LPLSKVKDOLJOEC-DTIOYNMSSA-N 210.365 3.577 30 20 BHED CCCC[C@@H](CCC)OC(=O)c1ccc(C#N)o1 796154282 NAEZQNFDONYFTR-LLVKDONJSA-N 249.310 3.667 30 20 BHED C[C@@H](C=NNc1cc(Cl)ccn1)C(C)(C)C 800815516 CAUDZNINUIGSNS-VIFPVBQESA-N 239.750 3.815 30 20 BHED CC[C@H](C)C(C)=NNc1nccnc1C1CCC1 807992321 FPYINNPQAKVOTI-JTQLQIEISA-N 246.358 3.578 30 20 BHED CC[C@H]1C[C@@H](C)CCC1=NOCC1CC1 814245014 PUBNKVRSTJDMAX-JQWIXIFHSA-N 209.333 3.615 30 20 BHED CC(C)=CCCC(C)=NN[C@H](C)c1ccncc1 819816568 LIAPXYWEDZJRQY-CQSZACIVSA-N 245.370 3.855 30 20 BHED CC(C)(C#N)CCCOC(=O)/C=C\C1CCCC1 830787934 LBTDYDIRKZJRIB-HJWRWDBZSA-N 249.354 3.606 30 20 BHED Cc1ccccc1C(=NOC(C)C)C1CC1 835000328 MBRGMMFEPIHWAJ-UHFFFAOYSA-N 217.312 3.534 30 20 BHED C=C/C=C\CCNc1ccccc1O[C@@H](C)C#N 902029670 IKWLMOPICQTSSL-ZFDPJTLLSA-N 242.322 3.522 30 20 BHED CC[C@@H](C)N(CC)CCCCC1(C#N)CCC1 930922712 MJZDIJCSEITKIP-CQSZACIVSA-N 236.403 3.971 30 20 BHED Cc1cc(SC/C=C/Cl)ccc1C#N 1189584838 XYZSDHWJFYEHNC-GORDUTHDSA-N 223.728 3.711 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)c1cscc1C 1336238641 QZDIBLZXMKJGAA-GFCCVEGCSA-N 249.379 3.627 30 20 BHED C=C(CC(C)C)C(=O)N(C)[C@H](C)c1ccccc1 1520755285 ZDEGBINVUFEDGW-CQSZACIVSA-N 245.366 3.808 30 20 BHED Cc1cc(C)cc(CNc2ccc(C#N)cc2)c1 38076735 CXWQVTKXVMZBBE-UHFFFAOYSA-N 236.318 3.787 30 20 BHED N#Cc1cc(Cl)ccc1NCC1CCCC1 52856971 HUQAUZAOKKXIGC-UHFFFAOYSA-N 234.730 3.814 30 20 BHED CC1(C)CCCC[C@H]1Nc1cccc(C#N)c1 94274071 LVXHQQGUNJHTPM-CQSZACIVSA-N 228.339 3.939 30 20 BHED CCC[C@H](CC)Nc1c(F)cc(C#N)cc1F 111144158 YOEPHPFUVPTDHD-JTQLQIEISA-N 238.281 3.827 30 20 BHED CC[C@H]1CCCC[C@H]1N(C)CCCCC#N 120790321 NBQFJVMLRGJANX-UONOGXRCSA-N 222.376 3.581 30 20 BHED C=CCC(CC=C)C(=O)Nc1cc(C)ccc1F 121548503 FIGZGQFZHBOPHH-UHFFFAOYSA-N 247.313 3.841 30 20 BHED C=C(Cl)CN[C@@H]1CCc2ccc(Cl)cc21 129773775 OJWFCYUGDLQPSX-GFCCVEGCSA-N 242.149 3.669 30 20 BHED C=C(C)CNC(C)(C)c1cccc(Cl)c1 148311057 OCDGQCUPLUZKCE-UHFFFAOYSA-N 223.747 3.741 30 20 BHED C=C[C@H](C)N[C@@H](CCC)c1ccccc1 157216379 RCMWTAIQOSMYOF-JSGCOSHPSA-N 203.329 3.692 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cc(C)cc(C)c1 157219421 FIUODFANZAXHBE-CHWSQXEVSA-N 203.329 3.529 30 20 BHED C[C@@H]1CCCCN1Cc1ccc(C#N)cc1Cl 162855682 GJTFWSNCZJGLFC-LLVKDONJSA-N 248.757 3.586 30 20 BHED O=C(/C=C/c1cccs1)c1ccc(Cl)nc1 179410411 JDZKYJTXNRNQDO-SNAWJCMRSA-N 249.722 3.693 30 20 BHED C=CCN(Cc1cccs1)C(=O)/C(=C/C)CC 189635020 OGNSHOHGCGIJJQ-LFYBBSHMSA-N 249.379 3.619 30 20 BHED CC1(C)OB([C@@H]2C[C@@H]2c2ccccc2)OC1(C)C 203825968 UANSPBMADSQCLG-CHWSQXEVSA-N 244.143 3.636 30 20 BHED C[C@H](CNc1cccc(C#N)c1)C(C)(C)C 227627516 UUSBRXGKNOWHKS-LLVKDONJSA-N 216.328 3.652 30 20 BHED CC[C@@H]1CC[C@@H](C)N1CCCCC(C)(C)C#N 233919951 BJVLMVRFTTUATK-ZIAGYGMSSA-N 236.403 3.969 30 20 BHED C[C@H]1c2ccccc2CCN1CCC(C)(C)C#N 272051443 ULTVXWCORNIBOL-ZDUSSCGKSA-N 242.366 3.546 30 20 BHED C=C(C)CCN[C@@H](c1ccccc1)C(C)C 309310234 BTFCQBJDNPCCTO-OAHLLOKOSA-N 217.356 3.940 30 20 BHED N#CCCN1CCCCC[C@H]1c1ccccc1 372621542 WAGRFENWJMBNDG-HNNXBMFYSA-N 228.339 3.517 30 20 BHED CCCCCCCN[C@@H](C)c1cncs1 380357941 XEYSRCNRHONHRZ-NSHDSACASA-N 226.389 3.764 30 20 BHED C=CC[C@@H](CC)N[C@H](CC)c1ccccc1O 393776772 YIQDCSLBBRXFEX-TZMCWYRMSA-N 233.355 3.788 30 20 BHED CC(C)[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 424334499 VQUGHLPMDUBNCV-NUEKZKHPSA-N 242.366 3.666 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H](C)c1ccc(C)cc1 429856835 DEBVZABGNAMXPX-ZDUSSCGKSA-N 245.366 3.775 30 20 BHED C=CCCCN1[C@H]2CCCC[C@H]2C[C@H]1C 441472951 YJTJTKJKPHSZGX-RDBSUJKOSA-N 207.361 3.606 30 20 BHED C[C@@H]1CC[C@H](NC2CCC(C)(C#N)CC2)[C@H](C)C1 449149686 OMCOBMLQWIHCPK-AQIKHJSRSA-N 248.414 3.873 30 20 BHED C=CCC1(C(=O)NCCC(C)(C)C)CCCC1 449557854 VLROJHUPARRVLG-UHFFFAOYSA-N 237.387 3.675 30 20 BHED CC(C)=CCC[C@@H](C)Nc1cc(C#N)ccn1 450678100 SIWPLZCITBCMLS-GFCCVEGCSA-N 229.327 3.500 30 20 BHED CC(C)=CCNc1ccc(CC#N)cc1Cl 453142352 ZEGZZEDXEVKENO-UHFFFAOYSA-N 234.730 3.784 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1cnn(C(C)C)c1C 453306408 JGGFLIINJLNSAY-LBPRGKRZSA-N 249.402 3.635 30 20 BHED C=C[C@H]1CCCCN1C(=O)CCCCC(C)C 457765435 OVWZKFFXZDADOU-AWEZNQCLSA-N 237.387 3.770 30 20 BHED CC#CCCN1CC[C@@H](c2ccccc2)[C@H](C)C1 462315258 MFEDOBLCMSKNSA-NVXWUHKLSA-N 241.378 3.525 30 20 BHED CCC(CC)Sc1cccc(C#N)c1 542712939 WOZCOIVONPYIAS-UHFFFAOYSA-N 205.326 3.839 30 20 BHED C=C(C)CN1C[C@H](C)C[C@H]1c1cccc(OC)c1 544109683 FOHMWWMDRNPAGC-CJNGLKHVSA-N 245.366 3.654 30 20 BHED N#Cc1cnccc1SCC1CCCCC1 547824636 BYKRLPWMJZUJIU-UHFFFAOYSA-N 232.352 3.626 30 20 BHED Cc1ccc2c(c1)[C@H](NC[C@H](C)CCC#N)CC2 602539723 JCSUWMHQNLTDJG-CZUORRHYSA-N 242.366 3.512 30 20 BHED N#CCC1(CN2CCC[C@H]2c2ccccc2)CC1 602756937 BBRUOISWAVIWER-HNNXBMFYSA-N 240.350 3.517 30 20 BHED C=C(C)c1ccc([C@@H](N)CC(F)(F)F)cc1 629730410 XGXYOQRBQSIQHM-NSHDSACASA-N 229.245 3.672 30 20 BHED C=CCCNc1cccc(F)c1SC 656657800 XXKALZBGHOZZFF-UHFFFAOYSA-N 211.305 3.536 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCS[C@@H]1C 658042283 CACFLFRMHJJERM-MQYQWHSLSA-N 239.428 3.605 30 20 BHED Cc1ccc(C)c(NN=Cc2ccccc2C#N)c1 755566052 RNNIXABCKFPNOP-UHFFFAOYSA-N 249.317 3.621 30 20 BHED C=C[C@H](CC(=O)OCCCC)c1ccccc1 758908272 PTBPGBACVFTGQW-CYBMUJFWSA-N 232.323 3.690 30 20 BHED C=C[C@@H](C)OC(=O)c1ccc2[nH]c(C)c(C)c2c1 781579018 VHCFAHYBZMQQJP-SECBINFHSA-N 243.306 3.516 30 20 BHED C[C@H]1CCC(=NOC2CCCC2)[C@H](C)C1 783858826 GJHLFKCYYSSDSC-WDEREUQCSA-N 209.333 3.758 30 20 BHED N#Cc1ccc(NN=C2CCCC2)cc1Cl 783881182 SLUJNOXKVXVOKY-UHFFFAOYSA-N 233.702 3.554 30 20 BHED CC(=NOCCC1CC1)c1ccc(F)c(F)c1 814245747 GHGZIHJBOCSJJG-UHFFFAOYSA-N 239.265 3.506 30 20 BHED CC[C@@H](C#N)OC(=O)C[C@@H](C)CCC=C(C)C 830091307 OCGBLCWETRBQNX-STQMWFEESA-N 237.343 3.604 30 20 BHED C=C(C)CCN[C@H](C)c1c(C)cc(C)cc1O 834883954 VHEGJAWVNBTZPI-CYBMUJFWSA-N 233.355 3.626 30 20 BHED C#CCCCCC(=O)N[C@H]1CCC[C@H]1C(C)(C)C 839891918 PRLVBORTNSNRCB-KGLIPLIRSA-N 249.398 3.511 30 20 BHED Cc1ccc2c(C=NNc3ccccc3)c[nH]c2c1 917530751 ZEWHVBTVKNKLMC-UHFFFAOYSA-N 249.317 3.922 30 20 BHED N#Cc1cc(F)cc(N[C@@H]2CC[C@H]2C2CCC2)c1 1462501770 DDADIQXNHVFRRD-LSDHHAIUSA-N 244.313 3.688 30 20 BHED C=C(C)CN(CC)Cc1cccc2cccnc12 55104958 GFBQQHJQFIGZCN-UHFFFAOYSA-N 240.350 3.633 30 20 BHED C=CCCc1csc(-c2ccoc2)n1 90065581 YYYCJWFTGLBPNR-UHFFFAOYSA-N 205.282 3.522 30 20 BHED CCCCCCCn1ccnc1C(C)C 112308893 KGGIJBSCUCFEOI-UHFFFAOYSA-N 208.349 3.977 30 20 BHED C=CCCC1=NN=C(Nc2ccccc2)SC1 134436895 FWTYVUDHHQUDBI-UHFFFAOYSA-N 245.351 3.524 30 20 BHED CC[C@H]1CCC[C@H]1Nc1ccc(OCC#N)cc1 165279141 YKMHSHGPOIDOTO-SWLSCSKDSA-N 244.338 3.580 30 20 BHED C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1cc(C)oc1C 185298751 YSLZETICUDAXAF-PWSUYJOCSA-N 249.354 3.676 30 20 BHED C=CCN(Cc1ccccc1)C(=O)C(CC)CC 192576236 IGRBEQHGSAEWBR-UHFFFAOYSA-N 245.366 3.637 30 20 BHED Cc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)c(C)c1 193108661 HWBXOHQVUORKRM-ZIAGYGMSSA-N 228.339 3.798 30 20 BHED N#Cc1ccc(/C=C\C(=O)C2CCCCC2)cc1 213482449 KPTXTTDRABVTOW-KHPPLWFESA-N 239.318 3.721 30 20 BHED C[C@H](CCC(C)(C)C)Nc1ccc(C#N)nc1 301526163 PTYJVPMTUANLOG-LLVKDONJSA-N 231.343 3.580 30 20 BHED C=CCN(CCc1ccccc1)CCC(C)C 302984876 LFPJWNKATPBQLM-UHFFFAOYSA-N 231.383 3.763 30 20 BHED CC#CCNc1ccccc1SC(C)C 308829915 AAPOWANFIDQJRV-UHFFFAOYSA-N 219.353 3.622 30 20 BHED C=CC[C@@H](CC)N[C@@H](C)c1cccc(F)c1 310042715 ZPRQTBCPFAMIPA-SMDDNHRTSA-N 221.319 3.831 30 20 BHED C=CCCCCNCc1ccc(OCC)cc1 310255721 FKRCZELWSPHPCM-UHFFFAOYSA-N 233.355 3.531 30 20 BHED CCC1(NCc2ccc(C#N)s2)CCCCC1 389690094 AZIACWVXXZLPTN-UHFFFAOYSA-N 248.395 3.822 30 20 BHED CCc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1CC 442852331 HNCUMBSRDIGJDS-TZMCWYRMSA-N 242.366 3.916 30 20 BHED C=C(C)CCN[C@H](C)Cc1ccccc1SC 449476882 NVOHPAOVZCSSFT-CYBMUJFWSA-N 249.423 3.895 30 20 BHED C=C(CC)CNc1ccc(CC#N)cc1Cl 453122180 GDEKCFDDCRLGRK-UHFFFAOYSA-N 234.730 3.784 30 20 BHED C=CC[C@H](CC)N[C@@H](C)CCCc1cccnc1 453214704 NCADYZPTTHGOEJ-HOCLYGCPSA-N 246.398 3.737 30 20 BHED N#CCN1CC2(CCCCC2)[C@@H]1c1ccccc1 459732415 DKNRMLWLQVPRSS-HNNXBMFYSA-N 240.350 3.517 30 20 BHED C[C@H](CC1CCCCC1)Nc1cnccc1C#N 486026778 GSUAYQDLXYFVHF-GFCCVEGCSA-N 243.354 3.724 30 20 BHED CC[C@H](NCc1ccc(F)cc1C#N)C(C)(C)C 538391435 CBMYKSZHQAXPAU-AWEZNQCLSA-N 248.345 3.612 30 20 BHED C=CC[C@H](C)NC(=O)C[C@H](C)CCC=C(C)C 567938622 BVSWASXNVLOTNI-KGLIPLIRSA-N 237.387 3.840 30 20 BHED C[C@@H](CCC#N)CN1CCCCc2ccccc21 589820902 DLWUMVREDPKDNF-AWEZNQCLSA-N 242.366 3.769 30 20 BHED C[C@H]1CCCC[C@H]1c1noc(CCCCC#N)n1 594541028 WHTFUUVEUIAMGC-NWDGAFQWSA-N 247.342 3.600 30 20 BHED CCCC[C@H](NC[C@@H](C)CCC#N)C1CCC1 602668890 VGRFLYNRLQUGPE-ZFWWWQNUSA-N 236.403 3.875 30 20 BHED C=CCCN1C[C@@H](c2ccccc2C)C[C@@H]1C 606898126 NUGUFQAYAGASIN-GJZGRUSLSA-N 229.367 3.749 30 20 BHED C=CCCN(Cc1ccsc1)C(C)(C)C 661133109 DWMADSIFBPZDPI-UHFFFAOYSA-N 223.385 3.925 30 20 BHED C=C(Cl)CN(C1CC1)[C@@H](C)[C@H](C)CC 729544222 BOKJFGHVLGIBAP-KOLCDFICSA-N 215.768 3.638 30 20 BHED CC1(C)CCCC1=NNc1cccc([N+](=O)[O-])c1 749854131 ZQBCESAQRQWDQP-UHFFFAOYSA-N 247.298 3.573 30 20 BHED C#CCCS[C@H]1CCCc2ccccc21 751772465 GYSLANJBULXCCV-AWEZNQCLSA-N 216.349 3.821 30 20 BHED CC#CCCCC(=O)OCc1ccc(C)c(C)c1 758547688 XLKRMNYXDKNLQG-UHFFFAOYSA-N 244.334 3.540 30 20 BHED Fc1ccc(C=NNc2ccccc2)c(Cl)c1 767744866 WGJTWNXBIWEVGN-UHFFFAOYSA-N 248.688 3.925 30 20 BHED CCCCCCCN1CCC[C@]1(C)CCCO 776598746 VJFDSWTUSAGPLU-OAHLLOKOSA-N 241.419 3.584 30 20 BHED C#Cc1cccc(NCc2cc3ccccc3[nH]2)c1 788524466 VVVKDANJLDLWCR-UHFFFAOYSA-N 246.313 3.761 30 20 BHED C(=NOC1CCC1)c1ccc(-c2ccccc2)o1 812236208 YNWPMUGQRRUDRD-UHFFFAOYSA-N 241.290 3.850 30 20 BHED C1CC[C@@H](ON=C2CCCC23CCCC3)OC1 814888169 YOLNMQVVDHMVMT-CYBMUJFWSA-N 237.343 3.630 30 20 BHED C#CCCCCCC=NNc1cccc(OC)c1 834932336 AOPVGFOQZXRACH-UHFFFAOYSA-N 244.338 3.677 30 20 BHED CC(=NNc1cccc(C)c1)c1ccc(C)o1 916255259 NAMPLXJFXYXKNY-UHFFFAOYSA-N 228.295 3.733 30 20 BHED C[C@H](NN=C1CCC[C@@H](C)C1)c1ccccc1 920385980 MKHCEVVERSNXDK-OLZOCXBDSA-N 230.355 3.903 30 20 BHED C=CCC[C@H]1CCCN1C(=O)C1CCCCC1 1339280432 JQEDTNUQMAAXHH-AWEZNQCLSA-N 235.371 3.524 30 20 BHED C[C@@H](CCC#N)CN(CC1CCCCC1)C1CC1 1474364001 WQPRSFIDIOUTQQ-AWEZNQCLSA-N 248.414 3.971 30 20 BHED C=CCSc1cc(C)c2ccccc2n1 40166029 PSQOTEVWYJSBNG-UHFFFAOYSA-N 215.321 3.821 30 20 BHED CCCCC[C@@H](C)NCc1ccc(C#N)cc1F 42570410 YBESLRZPTLUJJM-GFCCVEGCSA-N 248.345 3.756 30 20 BHED C=C(CC)COc1cc(Cl)ccc1[N+](=O)[O-] 87543551 DOKSBEXXFPNGBJ-UHFFFAOYSA-N 241.674 3.593 30 20 BHED CC[C@H]1CCC[C@H]1Nc1ccc(C#N)cc1 135506472 BDGZZJWQIOVEDW-GXTWGEPZSA-N 214.312 3.549 30 20 BHED C=C(Cl)CN[C@H](c1cccs1)C1CC1 162085219 ACKUMHXARFDBAG-NSHDSACASA-N 227.760 3.541 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccc2ccccc2c1O 168821086 UCKORSAJFUGFMD-NEPJUHHUSA-N 241.334 3.771 30 20 BHED C=CCCCCCN(C)C(=O)C1(CC)CCC1 177433830 DHJKHGIWJSNGCT-UHFFFAOYSA-N 237.387 3.772 30 20 BHED CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCCCCC#N 178650215 MAMVGOUCOKJLOM-RBSFLKMASA-N 236.403 3.731 30 20 BHED CC#CCCCC(=O)N1CCC[C@H](C)[C@@H]1CCC 185925704 UAKJLLVVGMQTBW-GJZGRUSLSA-N 249.398 3.607 30 20 BHED C=CCCN[C@@H](c1ccccc1C)C(C)C 309316449 DDGAAUWXGOKPKI-OAHLLOKOSA-N 217.356 3.858 30 20 BHED CC(C)(CNc1cc(C#N)ccn1)C1=CCCC1 312298580 BMXVQGXFUDJYAY-UHFFFAOYSA-N 241.338 3.502 30 20 BHED COC1(CCSc2cccc(C#N)c2)CCC1 338553873 DENSVLQDQOPXAU-UHFFFAOYSA-N 247.363 3.610 30 20 BHED C[C@@H](CC1CCCC1)NCC(C)(C)CCC#N 348246996 SOKPJGOUAIZKEL-ZDUSSCGKSA-N 236.403 3.875 30 20 BHED C=CCCN1Cc2ccccc2C2(CCC2)C1 352353179 UCDORDKLSHKCDB-UHFFFAOYSA-N 227.351 3.500 30 20 BHED CN(CCC(C)(C)C)Cc1ccc(CC#N)cc1 399869552 XVHXWHAXBRGCTL-UHFFFAOYSA-N 244.382 3.621 30 20 BHED CC(C)(CC#N)CN[C@H](c1ccccc1)C1CC1 414160443 DCZNXNBRNDGRIS-OAHLLOKOSA-N 242.366 3.667 30 20 BHED C=CCC[C@H](NC[C@H]1CCC(F)(F)C1)C1CC1 430749102 SXJNVURMNDJAAF-AAEUAGOBSA-N 243.341 3.756 30 20 BHED CC/C=C/CN[C@@H](CC)c1ccc(C#N)cc1 453329157 UORQRGFQYMMVEE-NFAHFFEMSA-N 228.339 3.565 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H](C)CC(C)(C)C 457183106 ALFIMPSAOPNAQM-NSHDSACASA-N 225.376 3.530 30 20 BHED C=CC[C@@H](CC)NCc1cc2c(F)cccc2[nH]1 466401751 MQWXGDYPNIFYKZ-LLVKDONJSA-N 246.329 3.751 30 20 BHED C=CCCN(C)[C@H]1CCCc2ccc(F)cc21 467284301 PVEFAIQBKIZWHM-HNNXBMFYSA-N 233.330 3.711 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@H](C)CCC(C)(C)C 468000355 NJVDPGNYNVRWOS-IUODEOHRSA-N 239.403 3.920 30 20 BHED C=CCCC1(C(=O)N2CCC[C@H](CC)CC2)CC1 476058697 DXEFYOHVXDLHRK-AWEZNQCLSA-N 249.398 3.772 30 20 BHED C=C(C)[C@@H](NCCCC)c1ccc(F)c(F)c1 481576123 VYSYRWHOGYKWMU-CQSZACIVSA-N 239.309 3.972 30 20 BHED C=C[C@H]1CCCCN1C(=O)[C@H](C)CC1CCCC1 488857952 COCBDMPPXQLMBL-HIFRSBDPSA-N 249.398 3.770 30 20 BHED CC#CCS[C@H](C)c1ccccc1F 547331370 ACFUCECGDHOWSN-SNVBAGLBSA-N 208.301 3.643 30 20 BHED CCC[C@]1(C)CCCN([C@@H]2CC[C@H](C#N)C2)C1 555377706 SIPYDWAHBUSUFN-RRFJBIMHSA-N 234.387 3.581 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 556345676 VRCUGJFMTJCQTQ-MELADBBJSA-N 249.398 3.674 30 20 BHED C=CCCCCCN(C)C(=O)[C@@H]1CC=CC[C@H]1C 560050173 CENFQACAVGDRNP-HUUCEWRRSA-N 249.398 3.794 30 20 BHED C=CC[C@@H](CC)NC(=O)c1cccc(C2CC2)c1 563359084 SYJYFJUWPCZLSS-OAHLLOKOSA-N 243.350 3.649 30 20 BHED CC(C)CC1(CNC[C@H](C)CCC#N)CCC1 602570105 UCAGBWYSEVXDEC-CQSZACIVSA-N 236.403 3.732 30 20 BHED C[C@@H]1CN(C[C@H](C)CCC#N)c2ccccc21 618888293 VNSCKWDEUFKEML-CHWSQXEVSA-N 228.339 3.550 30 20 BHED C=CCC[C@H](NCCCc1ccco1)C1CC1 658324961 IGQOCSOFHZORET-HNNXBMFYSA-N 233.355 3.547 30 20 BHED C=CCCc1noc([C@](C)(F)CCCC)n1 664898660 XWVBEKZQHYFSFY-GFCCVEGCSA-N 226.295 3.563 30 20 BHED C#C[C@H](N[C@H](C)CCCC(F)(F)F)C(C)(C)C 702226103 AKCFOTYZKPBZGO-MNOVXSKESA-N 249.320 3.745 30 20 BHED CC(C)[C@H]1CCCCC1=NNC1CCCC1 764689933 IPWZHTQCMVSOCY-CYBMUJFWSA-N 222.376 3.721 30 20 BHED C=C(CC)CNc1ccc(OCC(F)F)cc1 773207950 OETWBQCRTKIKMR-UHFFFAOYSA-N 241.281 3.709 30 20 BHED C#CCCCCNC[C@@H](CCC)c1ccccc1 776248594 LYSRTYMDBFNWRK-QGZVFWFLSA-N 243.394 3.963 30 20 BHED C=CC[C@@H](C)C(C)=NOCCC(F)(F)F 777459910 MNHMKKPFDRIGQR-MRVPVSSYSA-N 223.238 3.544 30 20 BHED C#CCCCCCC(=O)N(CCC(C)C)C1CC1 779805359 NONFHCQGLXPCKJ-UHFFFAOYSA-N 249.398 3.607 30 20 BHED C[C@H]1CCCCC1=NN[C@H]1CCCC1(C)C 782299448 GDHUCPCIIYJCLL-AAEUAGOBSA-N 222.376 3.721 30 20 BHED CCC(CC)NN=C[C@H]1CCCC[C@@H]1C 783847644 WLNYCWWCJQGYHR-NWDGAFQWSA-N 210.365 3.577 30 20 BHED CCCCCCCOC(=O)c1ccncc1C 786031990 FRKMZYVTKIXLPG-UHFFFAOYSA-N 235.327 3.517 30 20 BHED CCC(=NNc1ncccc1C)c1cccs1 790191776 XWPMEGUWEHYHOE-UHFFFAOYSA-N 245.351 3.678 30 20 BHED C[C@H](NN=C1CC[C@@H](C)[C@H](C)C1)c1ccncc1 819815856 DNBHGBMTPIBOAZ-UPJWGTAASA-N 245.370 3.544 30 20 BHED C=CC[C@@H]1CCCCC1=NNc1ccccn1 853269671 YVPUVIMOQYKNIX-GFCCVEGCSA-N 229.327 3.616 30 20 BHED CO[C@@H](C)CSCCCCC1(C#N)CCC1 901778459 DGLAXHBPHYHRGN-LBPRGKRZSA-N 241.400 3.619 30 20 BHED C[C@H](CC(C)(C)C#N)NC1(c2ccccc2)CC1 925825107 APYLUVZCHUYFQF-CYBMUJFWSA-N 242.366 3.594 30 20 BHED C=CC(C)(C)CC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 1262012588 AHPQVHCTKHVPFI-UONOGXRCSA-N 249.398 3.627 30 20 BHED CCC1(CNC[C@@H](C)CCC#N)CCCCC1 1560731620 OXZACSFWCPIBPC-AWEZNQCLSA-N 236.403 3.876 30 20 BHED CC(C)CCN(Cc1ccc(C#N)cc1)C1CC1 44898411 RZYAYSQXPDGIJH-UHFFFAOYSA-N 242.366 3.569 30 20 BHED C=C(C)CN(C)[C@H](C)c1ccc(Cl)cc1 45007537 CDZHHHIMSZYNQY-LLVKDONJSA-N 223.747 3.909 30 20 BHED CCCC1CCC(Nc2ncccc2C#N)CC1 48755769 AUGZOJUYXIWZDX-UHFFFAOYSA-N 243.354 3.724 30 20 BHED CC[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2)C1 71105790 QUNYYSAAGJTOPH-IUODEOHRSA-N 228.339 3.939 30 20 BHED Cc1cccc(CN(CCC#N)CC(C)(C)C)c1 78643646 NBJMUPAHINMUQX-UHFFFAOYSA-N 244.382 3.757 30 20 BHED CCCCCCCOc1cccnc1F 126116335 MWXQYOHPVNOCMP-UHFFFAOYSA-N 211.280 3.570 30 20 BHED C=C(C)CN[C@@H](C)c1cc(C)cc(C)c1 160207685 OSQVBMPNYIVWEU-ZDUSSCGKSA-N 203.329 3.530 30 20 BHED C=CCCSCc1cccc(OC)c1 172682163 GSVAZMFPIKVNLH-UHFFFAOYSA-N 208.326 3.505 30 20 BHED N#Cc1ccc(CNCCCC2CCCC2)s1 176944297 VWGIFSBMEKTALK-UHFFFAOYSA-N 248.395 3.680 30 20 BHED CC1CCC(CSCCCC#N)CC1 191014935 GTSOHSSKYVGWIP-UHFFFAOYSA-N 211.374 3.850 30 20 BHED C=CCCCCCS[C@@H](C)c1nnc(C)o1 192550507 BHCRIRGPQBQARK-JTQLQIEISA-N 240.372 3.919 30 20 BHED CCc1ccc(/C=C/C(=O)c2ccncc2)cc1 192762234 VNFQSKWPCJGIOR-BQYQJAHWSA-N 237.302 3.540 30 20 BHED C=CCN(CC=C)C(=O)C1(C)CCCCCC1 193124597 JGJUHSAUPNUPDM-UHFFFAOYSA-N 235.371 3.548 30 20 BHED N#CCCCSc1cccc2cccnc12 194107434 IXROTLRWEVGADT-UHFFFAOYSA-N 228.320 3.631 30 20 BHED CC[C@H](C)CN(C)CCCCC(C)(C)C#N 233994794 BJANFBOBTINSAY-ZDUSSCGKSA-N 224.392 3.684 30 20 BHED CC(C)[C@@H](CCc1ccccc1)NCCCC#N 273186251 FZFIDKDGXLHHST-MRXNPFEDSA-N 244.382 3.537 30 20 BHED C[C@@H]1C[C@H]1[C@H](NCCC#N)c1ccc(Cl)cc1 298817081 FVKHTIADGMGTGK-LERXQTSPSA-N 248.757 3.540 30 20 BHED C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1ccsc1 308897281 ZXXODTUWUWYWKJ-TUAOUCFPSA-N 223.385 3.999 30 20 BHED C=CCCCCC[C@H](C)N[C@H](C)[C@@H](C)OC 309460680 NVPZRBCCYSOFAP-BFHYXJOUSA-N 227.392 3.524 30 20 BHED C=CCCCSc1ncnc2sccc12 344156032 AVCNDHBKWLVKLR-UHFFFAOYSA-N 236.365 3.750 30 20 BHED C=CCC1(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)CCCC1 416123943 YUTDBJCZXSWVDZ-IHRRRGAJSA-N 249.398 3.626 30 20 BHED C=CCCCC[C@@H](C)NC[C@@H](C)C(F)(F)F 449259386 TYEZTLLOCGQDJP-GHMZBOCLSA-N 237.309 3.909 30 20 BHED C=CCCCC[C@@H](C)NCCc1cccc(C)n1 449294313 LFSIAIINDBHTOO-CQSZACIVSA-N 246.398 3.657 30 20 BHED CC(C)(C#N)CCCN[C@@H]1CCC12CCCC2 451465091 ZMZYHUURSXZFTN-CYBMUJFWSA-N 234.387 3.629 30 20 BHED C=C1CCN(Cc2ccc(Cl)cc2C)CC1 468391011 AVGMKQRMBPNUCB-UHFFFAOYSA-N 235.758 3.800 30 20 BHED CCCOc1cccc(C#C[Si](C)(C)C)c1 521399583 CMENWOHGDHLABP-UHFFFAOYSA-N 232.399 3.704 30 20 BHED C=C(C)CN(CCC(C)C)C1CCCC1 521815462 IBIWPFIYTYBNGY-UHFFFAOYSA-N 209.377 3.853 30 20 BHED C=C(CC)CN(C)[C@@H](C)c1ccc(F)c(F)c1 540193617 MUMTYRGOMNZHPO-NSHDSACASA-N 239.309 3.924 30 20 BHED CCOc1ccc(C#N)cc1N[C@H]1CC[C@@H]1CC 564299472 MRTINKIOXHXJBB-STQMWFEESA-N 244.338 3.557 30 20 BHED CN(Cc1ccccc1C(C)(C)C#N)C(C)(C)C 567108577 VIHWLEWKHGWZCW-UHFFFAOYSA-N 244.382 3.718 30 20 BHED C=C(CC)CN1CCC(CC(F)(F)F)CC1 577083963 YHMHPMULIQOWFR-UHFFFAOYSA-N 235.293 3.617 30 20 BHED C=CCCN(C)C[C@@H](C)c1cccc(Cl)c1 682436737 XQBTZTLLTDIKRY-GFCCVEGCSA-N 237.774 3.951 30 20 BHED CCC(=NNc1ccc(F)cc1C)C(C)C 750938244 FFXYAWGTGCNIBW-UHFFFAOYSA-N 222.307 3.968 30 20 BHED CCCCCC=NN=c1cc[nH]c2ccccc12 755699634 HYLIEWOWZRAWKH-UHFFFAOYSA-N 241.338 3.635 30 20 BHED C#CCCCS[C@@H](C)c1ccccc1OC 766293565 QZTBWGRKSNXABQ-LBPRGKRZSA-N 234.364 3.903 30 20 BHED FC(F)(F)C1CCC(CON=C2CCC2)CC1 769830086 LATBSJJBJSDMAF-UHFFFAOYSA-N 249.276 3.912 30 20 BHED CC1=CCC[C@H](C)[C@H]1C=NO[C@H]1CCCCO1 773208719 NVPZVJGREZRYCW-IHRRRGAJSA-N 237.343 3.508 30 20 BHED C[C@@H](C=NOC1CCCC1)c1ccc(F)cc1 774597230 REAICSQXWBZMET-NSHDSACASA-N 235.302 3.874 30 20 BHED C#C[C@H](C)N(C)Cc1cc2cc(C)c(C)cc2o1 775178336 GVVVNJSPAQLZHG-ZDUSSCGKSA-N 241.334 3.503 30 20 BHED C[C@@H]1CCC(=NOCCC(F)(F)F)[C@H](C)C1 777462824 NJUDKQPRZFUERS-RKDXNWHRSA-N 237.265 3.768 30 20 BHED CCCCCCCCOC(=O)[C@H]1CCC=CO1 787034484 YYBQDUYGWRQGDY-CYBMUJFWSA-N 240.343 3.583 30 20 BHED C=CCCCC(=O)OCc1ccc2occc2c1 802853604 SPPVUJLMNLTMNO-UHFFFAOYSA-N 244.290 3.832 30 20 BHED CC1(C)CCC[C@H](C=NOC2CCC2)C1 812235439 VHCLOWPNMCJDHM-NSHDSACASA-N 209.333 3.758 30 20 BHED CC(=NOC1CCC1)c1cc(C)cc(C)c1 812235709 PBKDQSZXIPIPKK-UHFFFAOYSA-N 217.312 3.597 30 20 BHED C=CCC(F)(F)C(=O)NC[C@H](CC)CCCC 814925580 NCGAROYKBXREOS-LLVKDONJSA-N 247.329 3.530 30 20 BHED CO[C@@H](C(C)=NOCC1CCC1)c1ccccc1 853440822 JOXDWNUTBVHGFO-HNNXBMFYSA-N 247.338 3.567 30 20 BHED CCCCCCCNc1nnc(C(C)C)o1 858650586 WQHAPORPMWOYAV-UHFFFAOYSA-N 225.336 3.575 30 20 BHED CCCCCCCNC(=O)c1ccoc1Cl 862357252 REGSSRRXRNBKPW-UHFFFAOYSA-N 243.734 3.633 30 20 BHED CC[C@@H](NC[C@H]1C=CCC1)c1ccc(C#N)cc1 883246058 ZCQPXYKKESZCIK-GOEBONIOSA-N 240.350 3.565 30 20 BHED C=C1CCC(C(=O)N2CC[C@H](C(C)(C)C)C2)CC1 889929236 QYAVARXPHCDEKC-AWEZNQCLSA-N 249.398 3.627 30 20 BHED C=C(C)CCC(=O)N1CC[C@H](CC(C)(C)C)C1 1353701774 QXMKZWQFCZSZAK-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=C(C)CCC(=O)N1CCC[C@@]1(C)CC(C)C 1354897233 ATACKAXXSDARAY-HNNXBMFYSA-N 237.387 3.770 30 20 BHED Cc1cc2cc(C/N=C(\O)C(C)C)ccc2[nH]1 429812 GEOHDXZDCCXVKR-UHFFFAOYSA-N 230.311 3.589 30 20 BHED N#Cc1ccc(CNCCC2=CCCCC2)s1 135665172 KYADQRSLSFXHPA-UHFFFAOYSA-N 246.379 3.600 30 20 BHED C=C(C)CSCC(=O)Nc1ccc(C)cc1C 177864251 OCQVQCVFMAYNGM-UHFFFAOYSA-N 249.379 3.551 30 20 BHED C=CCCC[C@H](C)N[C@@H](C)c1cnn(C(C)C)c1 182185148 OHTHIZQBFRQNNC-KBPBESRZSA-N 249.402 3.859 30 20 BHED C[C@H](NCC(C)(C)CCC#N)c1ccsc1 229695321 CQGNURIRGVWRJP-NSHDSACASA-N 236.384 3.729 30 20 BHED C[C@@H](N(C)Cc1ccc(F)c(C#N)c1)C(C)(C)C 229748281 BLUUNDPUJGXZMN-LLVKDONJSA-N 248.345 3.564 30 20 BHED CC(C)(C#N)CCCN1CC[C@@H]2CCCC[C@H]2C1 250375364 ZHMRQJWLXXHTSM-GJZGRUSLSA-N 248.414 3.828 30 20 BHED C=CCCC(=O)N[C@H](C)c1ccccc1SC 281733745 GOEPLMKYODOPOE-LLVKDONJSA-N 249.379 3.552 30 20 BHED C=CC(C)(C)C(=O)Nc1cc(C)ccc1Cl 295610657 YTLKDDYLLQQWJG-UHFFFAOYSA-N 237.730 3.799 30 20 BHED C[C@@H]1CC[C@@H](Nc2cc(F)cc(C#N)c2)C[C@H]1C 299933558 IYPZXBPJCRIPDP-JTNHKYCSSA-N 246.329 3.934 30 20 BHED C=CCC[C@@H](NCCSCC(C)C)C1CC1 309612367 MYIOAJWLGQQOIN-CQSZACIVSA-N 241.444 3.710 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1cc(C)c(C)o1 310021656 NPSCFORUDMCJAF-YPMHNXCESA-N 221.344 3.902 30 20 BHED C=CCCC[C@H](C)Sc1nncn1C(C)C 360515582 AXEUYNVJEAFAQI-NSHDSACASA-N 239.388 3.696 30 20 BHED C=CCC[C@@H](C)NCC1(C(F)(F)F)CCC1 381480321 SKSIXKLYSLSLGD-SNVBAGLBSA-N 235.293 3.663 30 20 BHED CCCCCCC[C@H](C)N[C@H](C)[C@@H](C)OC 390544060 MFUQHWSHILIEIE-BFHYXJOUSA-N 229.408 3.748 30 20 BHED C=C(C)C(C)(C)C(=O)NCCC1CCCCC1 424583635 NDZIQILYXJWQNT-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCC[C@@H](C)NCCc1ccc(SC)cc1 436292512 NGJMWOZNGMMWPL-CYBMUJFWSA-N 249.423 3.895 30 20 BHED C[C@H]1CCCC[C@H]1CNC1CCC(C)(C#N)CC1 449096723 JTQWDGMOGWVQHJ-FXQLRMTLSA-N 248.414 3.875 30 20 BHED C=CCCCC[C@@H](C)N[C@H](CCO)C(C)(C)C 453188470 BWAYOZUAGLMALH-ZIAGYGMSSA-N 241.419 3.508 30 20 BHED C=CCCC1(C(=O)NCCC2=CCCCC2)CC1 474295264 XWEDVPYIOFLAOI-UHFFFAOYSA-N 247.382 3.740 30 20 BHED C=CCCCC(=O)NCCCCC1CCCC1 479939254 JPEJORBFAPCNII-UHFFFAOYSA-N 237.387 3.819 30 20 BHED CC(C)=CCC[C@H](C)CCN(CC#N)C1CC1 482167705 YGPRAGTVYQRRFB-AWEZNQCLSA-N 234.387 3.747 30 20 BHED C=CCCCCCN(C)C(=O)CC(C)(C)C 523513495 HLOUZQVSLCBCNU-UHFFFAOYSA-N 225.376 3.627 30 20 BHED C=CCOc1cccc(CN(C)C(C)(C)CC)c1 526992113 QXEIJVSTWFAFMP-UHFFFAOYSA-N 247.382 3.872 30 20 BHED C=CCC(C)(C)c1noc([C@@H]2[C@@H](C)[C@@H]2C2CC2)n1 528201541 CBZFBKQQKVPPAG-MVWJERBFSA-N 246.354 3.683 30 20 BHED CC#CCN[C@H](c1ccc(F)cc1)C(C)(C)C 533350227 JUMTUOMNDWQZPS-CQSZACIVSA-N 233.330 3.526 30 20 BHED C=CCN(C/C=C\c1ccc(F)cc1F)C1CC1 544599366 CZEZTGMZISCFMI-ARJAWSKDSA-N 249.304 3.628 30 20 BHED C=CCN(CC=C)Cc1cccc(F)c1Cl 549770413 CMZKAFBESRQOKJ-UHFFFAOYSA-N 239.721 3.653 30 20 BHED C=CCCCCN[C@@H](CC(F)(F)F)C(C)C 569070454 KTYZKMASPUSAQL-NSHDSACASA-N 237.309 3.909 30 20 BHED CCC(CC)N(CC)Cc1ccc(F)cc1C#N 584076885 SFYHUHIVEVSVDU-UHFFFAOYSA-N 248.345 3.708 30 20 BHED C=CC[C@H]1CCCN(C(=O)CC(C)(C)C2CC2)C1 617778718 MTQVXMKWHWINEL-ZDUSSCGKSA-N 249.398 3.627 30 20 BHED C=C[C@H](C)N[C@H](C)CCc1c[nH]c2ccccc12 631589066 AKIGXKSXUBJKKH-QWHCGFSZSA-N 242.366 3.653 30 20 BHED C=CCCC(C)(C)NCc1ncc(Cl)s1 657804790 DLIGERAZNWWPGN-UHFFFAOYSA-N 244.791 3.631 30 20 BHED C=C[C@@H]1CCCCN1C(=O)c1cc(C)sc1C 683788076 GBAJZFUJOHVIAO-GFCCVEGCSA-N 249.379 3.546 30 20 BHED CCCC[C@@H](C)N(C)CC#Cc1ccc(F)cc1 685612227 XTWQWCZGWATXLE-CQSZACIVSA-N 247.357 3.688 30 20 BHED CCc1ccc(C(C)=NNc2ccccn2)s1 744683537 JYDYWZSOBJJYFP-UHFFFAOYSA-N 245.351 3.542 30 20 BHED C#CCCOc1ccc(NC2CCCCC2)cc1 760353524 QLIIGSNDOKTCEB-UHFFFAOYSA-N 243.350 3.833 30 20 BHED C=C(CC)COC(=O)c1ccccc1SC 773452344 NWAGCLCFEABPMB-UHFFFAOYSA-N 236.336 3.532 30 20 BHED CC(Cc1ccsc1)=NOC1CCCC1 774604689 ZMCSAKCMDATOBS-UHFFFAOYSA-N 223.341 3.626 30 20 BHED C#CCCCCCC(=O)N[C@H]1CCC[C@H](C)CC1 785613253 LZUHRBXXJXGPMB-GJZGRUSLSA-N 249.398 3.655 30 20 BHED CC(CCc1ccc(C)cc1)=NOC1CCC1 812235172 NYUAUHXEATZQHE-UHFFFAOYSA-N 231.339 3.873 30 20 BHED C=CCCC(CCC)=NNc1cc(C)nc(C)n1 814807162 IKOAFLNCOGSLRL-UHFFFAOYSA-N 246.358 3.628 30 20 BHED CC1(C)CCCC[C@@H]1NN=C1CCC[C@H](C#N)C1 814917651 NXTCVUUCAIGDIZ-JSGCOSHPSA-N 247.386 3.615 30 20 BHED Cc1ccc(C=NOCc2cccc(C)c2)cc1 836729044 TVHHNBOMUJJIPA-UHFFFAOYSA-N 239.318 3.854 30 20 BHED C=C[C@@H](C)ON=C[C@H](C)c1cc(F)cc(F)c1 844619566 AWXWABVCJVTGEP-VHSXEESVSA-N 239.265 3.645 30 20 BHED CC(C)(C)c1cccc(OCC#N)c1Cl 849971058 HNGBJCYOFRQERT-UHFFFAOYSA-N 223.703 3.540 30 20 BHED C=C(C)C(C)(C)C(=O)Nc1c[nH]c2ccccc12 888115412 SCJZPUQJLYPZEH-UHFFFAOYSA-N 242.322 3.709 30 20 BHED C=C[C@H](CC)CC(=O)Nc1cccc(C)c1C 929130857 YINWMGWWXCJBER-CYBMUJFWSA-N 231.339 3.844 30 20 BHED CC(C)CN(CCCCC1(C#N)CCC1)C1CC1 929256489 FDZDEDWIRMBXPP-UHFFFAOYSA-N 248.414 3.971 30 20 BHED CCCCNN=C(C)c1ccccc1SC 1321219048 XACHAZQOEGOOSE-UHFFFAOYSA-N 236.384 3.522 30 20 BHED C[C@H]1C[C@H](C)CN(c2ccc(Cl)cc2C#N)C1 52859533 RTCOQDDCSPURHE-QWRGUYRKSA-N 248.757 3.694 30 20 BHED C[C@H]1CCC[C@@H](N(C)CCCC(C)(C)C#N)C1 87608568 ANSUHDDKIZBYGJ-UONOGXRCSA-N 236.403 3.827 30 20 BHED C[C@@H](CNc1ccc(C#N)cc1F)C(C)(C)C 96609789 CEDVTNOJCQEDDN-JTQLQIEISA-N 234.318 3.791 30 20 BHED C=CCC[C@H](C)N[C@@H](C)Cc1cccs1 126742254 WWKQDQFXRFZSNB-RYUDHWBXSA-N 223.385 3.623 30 20 BHED C=CCC[C@H](C)N[C@H](C)CCc1ccccc1 130507496 GNMRKIINTCYPSK-LSDHHAIUSA-N 231.383 3.952 30 20 BHED C=C(Cl)CN[C@@H](CC)c1ccccc1F 163182254 DKVZJWHOVJHUQS-LBPRGKRZSA-N 227.710 3.619 30 20 BHED C=CCCC(=O)N[C@@H](CCC)c1ccccc1 171423539 QRAPTVOODGYVIM-AWEZNQCLSA-N 231.339 3.610 30 20 BHED C=CCC[C@H](CCC)Nc1cccc(CO)c1 191945823 FQVPPNLNNAYAMQ-AWEZNQCLSA-N 233.355 3.726 30 20 BHED C=CCCCNc1ccc(SC)cc1OC 193507695 SRCSUVPFRNPSIM-UHFFFAOYSA-N 237.368 3.795 30 20 BHED N#Cc1cccc(NCCC2=CCCCC2)c1 213060781 ZWYGCRUEXIZJIV-UHFFFAOYSA-N 226.323 3.861 30 20 BHED C=CCCCNc1ccc([C@H]2CCOC2)cc1 297760041 OSDCNAKSARMWOR-AWEZNQCLSA-N 231.339 3.569 30 20 BHED CC(C)CCCSc1c(C#N)cccc1C#N 302871402 BWWBIBVVIHIYNQ-UHFFFAOYSA-N 244.363 3.958 30 20 BHED C=C(C)CCc1noc([C@H]2CC23CCCC3)n1 351641045 LSDGTYQHOPMFRC-LLVKDONJSA-N 232.327 3.626 30 20 BHED CC1=C(C)CN(c2ccc(C#N)c(Cl)c2)CC1 382995121 ITVAWDDJZCJYLH-UHFFFAOYSA-N 246.741 3.758 30 20 BHED CC[C@@H](C)CN[C@@H]1CCCc2cc(C#N)ccc21 418143933 JOGGPHSCQORRKF-MLGOLLRUSA-N 242.366 3.571 30 20 BHED CC1(C)CCCCN(Cc2ccc(C#N)cc2)C1 438350528 VMZVASOXFOMXLR-UHFFFAOYSA-N 242.366 3.570 30 20 BHED C=CCCN(C)C(=O)C[C@@H](C)C1CCCCC1 467051600 QHAIMLOMSQTVEU-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=C[C@](C)(CC)C(=O)Nc1ccc(C)c(F)c1 467429243 OBRCDBBHOCCRKC-CQSZACIVSA-N 235.302 3.675 30 20 BHED COc1ccc(C#N)cc1N[C@H]1CCC[C@@H](C)C1 500978751 GZHDZRKCWRPKIE-YPMHNXCESA-N 244.338 3.557 30 20 BHED C=C(C)CN(CC)C[C@H]1C[C@@H]1c1ccccc1 505871862 HCTAIXXZOQZFMD-HZPDHXFCSA-N 229.367 3.688 30 20 BHED C=C(C)CCN1CC[C@@H](C(F)(F)F)C1(C)C 510790519 HSGYQDFCLXFLOO-SNVBAGLBSA-N 235.293 3.615 30 20 BHED C=CC[C@@H](C)[C@@H](C)NCc1noc2ccccc12 516490644 LMJWKJRCPICGHJ-VXGBXAGGSA-N 244.338 3.518 30 20 BHED CC(C)C[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 540706212 FAFGBLFHJZMZIK-NWDGAFQWSA-N 248.345 3.783 30 20 BHED Cc1cn(Cc2ccc(C(F)F)cc2)cc1C#N 546595723 CVZMHLYULIPNCA-UHFFFAOYSA-N 246.260 3.654 30 20 BHED C=CCC(C)(C)c1noc(CC[C@H](C)CC)n1 560029738 XYAUEMGSPXBDTK-LLVKDONJSA-N 236.359 3.902 30 20 BHED CCN(CC1(C)CC1)[C@@H](C)c1ccc(C#N)cc1 562364535 IBWIALPNBKWDBZ-ZDUSSCGKSA-N 242.366 3.741 30 20 BHED C=CCC(C)(C)c1noc(C=C2CCCC2)n1 569146636 SGPUIZJZBGKVLV-UHFFFAOYSA-N 232.327 3.881 30 20 BHED CC[C@@H](NCC1CCCC1)c1ccc(C#N)cc1 582161458 OEAOWAMKUAWOIW-MRXNPFEDSA-N 242.366 3.789 30 20 BHED C[C@H]1C[C@@H](OCCCCCC=O)CC(C)(C)C1 584907161 WYBYVBQJCHKSCH-UONOGXRCSA-N 240.387 3.977 30 20 BHED O=C(/C=C\c1cccnc1)c1csc(Cl)c1 588558779 FJKUZGDNHQAEFR-ARJAWSKDSA-N 249.722 3.693 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C(C)(CC)CC)C1 617781447 MTJNTZOSSNDIGH-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C#CC[C@H](N[C@@H](C)CC1CC1)c1ccccc1 773112924 BSFAXMPOFSJEAH-BBRMVZONSA-N 227.351 3.529 30 20 BHED C#CCCCCC(=O)N1CCCC[C@@H]1[C@@H](C)CC 773402544 SDVBTCIXMHNAOF-LSDHHAIUSA-N 249.398 3.607 30 20 BHED CCCNN=C1CC(c2ccc(Cl)cc2)C1 783825285 BTHDEQOXJCDEDQ-UHFFFAOYSA-N 236.746 3.573 30 20 BHED Cc1cccc(-c2ccc(N(C)C)cc2)c1C#N 793368534 NVZUJNSRMSHFBH-UHFFFAOYSA-N 236.318 3.600 30 20 BHED CC[C@@H]1CCC[C@H](C=NNc2ncccc2F)C1 794993740 PTBNCVPTIIBTOO-NEPJUHHUSA-N 249.333 3.835 30 20 BHED CCC(CC)NN=C(CCC(C)C)C1CC1 802710650 AIZBAGPIFKBKNL-UHFFFAOYSA-N 224.392 3.967 30 20 BHED C(=NNCC1CCCC1)c1ccc2occc2c1 808006303 QMPSINJCROYJRK-UHFFFAOYSA-N 242.322 3.547 30 20 BHED CC[C@@H](C)CON=CCC(C)(C)SC 814938888 XRYRBXGFUZRDGP-SNVBAGLBSA-N 217.378 3.567 30 20 BHED C=CCN(C(=O)C1[C@@H]2CCCCCC[C@@H]12)C(C)C 826072316 XEFJVTAEDGAZQL-ZIAGYGMSSA-N 249.398 3.626 30 20 BHED CCC[C@H](C)C(CC)=NN[C@@H](C)C(F)(F)F 834999739 HHIRQHSEVJFGEX-IUCAKERBSA-N 238.297 3.729 30 20 BHED C=CC[C@@H]1CCCCC1=NOCc1cccnc1 853323012 LRWJIYDKCFFGFN-CQSZACIVSA-N 244.338 3.721 30 20 BHED CCc1onc(C)c1/C=C1\CCCC(C)(C)C1=O 899363934 VXAFKXPGWQDAIU-PKNBQFBNSA-N 247.338 3.708 30 20 BHED Cc1ccc2c(c1)[C@H](NCC(C)(C)C#N)CCC2 903100479 PUMPZQVXRDOSTK-OAHLLOKOSA-N 242.366 3.512 30 20 BHED C/C=C/C(=O)N(C)CCCCCCCCC 918668865 UZAHIAAJKSASST-LFYBBSHMSA-N 225.376 3.772 30 20 BHED C=C(C)CCC(=O)N[C@@H](c1cccs1)C1CC1 1347832034 DUKUNCIKKSAOIE-CQSZACIVSA-N 249.379 3.672 30 20 BHED CC[C@H](Nc1ccc(C#N)cn1)c1cccs1 49531302 YWMJGVCBGZEFLO-NSHDSACASA-N 243.335 3.578 30 20 BHED N#Cc1ccc(OCC2CCCCC2)c(F)c1 52153938 DKMSRHYTDSNKOD-UHFFFAOYSA-N 233.286 3.656 30 20 BHED Cc1cc(C)cc(OCCC(C)(C)C#N)c1 57713660 LICWLRBAJWJHHB-UHFFFAOYSA-N 217.312 3.622 30 20 BHED C[C@H]1CCC[C@H]1Nc1ccc(C#N)c(Cl)c1 82424936 HJXIBMFSAQCDNL-TVQRCGJNSA-N 234.730 3.812 30 20 BHED C[C@@H](NCCCC#N)c1cccc2ccccc12 128376513 NSKLLOSUSJPSOD-CYBMUJFWSA-N 238.334 3.794 30 20 BHED C[C@H](S[C@H]1CCO[C@@H]1C)c1ccc(C#N)cc1 163699957 UOBGCDWIVRAORO-SUNKGSAMSA-N 247.363 3.530 30 20 BHED C=CCCCN[C@H](C)c1ccc(F)c(F)c1 181633557 XUFBJDLHFYYAPU-SNVBAGLBSA-N 225.282 3.582 30 20 BHED C#CCCCCN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 222287315 BTUZGUOQLSNHEY-BZUAXINKSA-N 233.399 3.738 30 20 BHED Cc1ccoc1C(=O)/C=C\c1ccsc1 255692387 FJNYBQKDORDYFJ-IHWYPQMZSA-N 218.277 3.546 30 20 BHED C=CCC[C@H](NC(=O)/C(C)=C/C)c1ccccc1 269379136 CVJFILPOWRFCJR-WQPBDQAGSA-N 243.350 3.776 30 20 BHED C=CC[C@@H](CC)Nc1cccc(Cl)n1 379600498 KXWFKBVPZRTDKL-SECBINFHSA-N 210.708 3.502 30 20 BHED C=CCCCC[C@@H](C)N[C@H]1CCC1(C)C 393732672 AUQOPUJPLWEZIP-OLZOCXBDSA-N 209.377 3.900 30 20 BHED CC[C@]1(C(C)C)C[C@H]1NC1CCC(C)(C#N)CC1 453427149 ONPMIJKXLHVUAA-GYTBAZASSA-N 248.414 3.873 30 20 BHED C=CC[C@H](CC)NC(=O)c1c(C)cc(C)cc1C 466540903 HZNHERBEMFINFH-AWEZNQCLSA-N 245.366 3.696 30 20 BHED C=CCN(CC)[C@@H](CC)Cc1ccccc1 469072103 SNPLQEIATHEMQQ-HNNXBMFYSA-N 217.356 3.516 30 20 BHED C=C(C)C[C@H](C)C(=O)Nc1cc(C)c(O)c(C)c1 478805122 KMIKXCZYIAIJPQ-LBPRGKRZSA-N 247.338 3.550 30 20 BHED C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C)cc1 485592484 KSDCDMQZLARKHL-CQSZACIVSA-N 244.338 3.567 30 20 BHED C=C(C)CNCc1ccc(-c2ccccc2F)o1 512341011 BNYMGYYQZKPQOR-UHFFFAOYSA-N 245.297 3.751 30 20 BHED CC[C@H](NCc1cccc(C#N)c1F)C(C)(C)C 538389283 CRGOJTFKTMBSGM-ZDUSSCGKSA-N 248.345 3.612 30 20 BHED C=CCCC(=O)Nc1ccc(/C=C\C)cc1 561648268 SNZKNBHXHONPKR-XQRVVYSFSA-N 215.296 3.624 30 20 BHED C=CC[C@H]1CCCN(Cc2cccs2)C1 661381525 MQUVSINGJZCTMS-LBPRGKRZSA-N 221.369 3.536 30 20 BHED C=CC[C@H]1CCCN(c2ncccc2Cl)C1 664253632 PMDVSOXWIHNBNG-NSHDSACASA-N 236.746 3.528 30 20 BHED CC[C@H](C)C(C)=NNCCCc1ccccc1 729148157 PWJMZWFONGTMPG-ZDUSSCGKSA-N 232.371 3.631 30 20 BHED CC/C=C(\C)C(=O)O[C@H](C)c1cccc(C#N)c1 729904172 AAJIXSBOWYRPBD-IGEMTJHASA-N 243.306 3.519 30 20 BHED CCC(C)(C)CCOC(=O)c1cccc(C#N)c1 744341614 SJAQXQKCUFOCJL-UHFFFAOYSA-N 245.322 3.541 30 20 BHED CCC1CCC(=NOCc2cccnc2)CC1 746588971 VZPHYQPDTCIKQD-UHFFFAOYSA-N 232.327 3.554 30 20 BHED CCCCCCCOC(=O)c1ccc(C)cn1 753481168 QCCMSEHZKCIOHK-UHFFFAOYSA-N 235.327 3.517 30 20 BHED C=CCNc1ccc(OCC)cc1C(F)(F)F 756814390 VSZKIKJRHRNJLQ-UHFFFAOYSA-N 245.244 3.702 30 20 BHED N#Cc1ccc(SC/C(Cl)=C\Cl)cc1 763255513 KWJCYLAXPHNGCK-WEVVVXLNSA-N 244.146 3.969 30 20 BHED C#CCCCN(Cc1ccc(F)cc1)C(C)(C)C 766903209 ATBHCDVHUQZFIO-UHFFFAOYSA-N 247.357 3.840 30 20 BHED C=C(Cl)CSCc1ccc2c(c1)COC2 778055211 QQXXDQDSOKRJPT-UHFFFAOYSA-N 240.755 3.703 30 20 BHED CC(C)(C#N)CCCOC(=O)CC1=CCCCC1 783530206 TXOQQCACCMZPAH-UHFFFAOYSA-N 249.354 3.750 30 20 BHED C=C[C@](C)(CC)C(=O)Oc1ccc(C)c(F)c1 791024694 UNOBGMUYTQJUGK-CQSZACIVSA-N 236.286 3.642 30 20 BHED C[C@H](NN=C[C@]1(C)CCCS1)c1ccccc1 792988531 XHRCPMZJCHYCOV-JSGCOSHPSA-N 248.395 3.609 30 20 BHED C=CCCCCCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C2 805219540 OWLRJUROHMMNBH-KKUMJFAQSA-N 249.398 3.675 30 20 BHED Cc1ccc2c(C=NOC/C=C/Cl)c[nH]c2c1 811668309 MOFBUQCKJGKJSE-RNXBRRGWSA-N 248.713 3.579 30 20 BHED CC1(C)CCCC[C@@H]1NN=C1CCC[C@@H](C#N)C1 814917652 NXTCVUUCAIGDIZ-OCCSQVGLSA-N 247.386 3.615 30 20 BHED N#C[C@@H]1CCC[C@@H](OC(=O)C=C2CCCCC2)C1 839046875 BDFUFMMGTKTNNM-ZIAGYGMSSA-N 247.338 3.502 30 20 BHED C=CCCCCNC(=N)Nc1cc(C)cc(C)c1 849019757 KLZDOSKSFHOKIN-UHFFFAOYSA-N 245.370 3.596 30 20 BHED CC[C@H](C)CCC(=O)O[C@H](C)CC(C)(C)C#N 851204533 RMSQPHXPRMBNIM-NWDGAFQWSA-N 239.359 3.684 30 20 BHED CC(CCc1ccc(C)cc1)=NNCC(C)C 1116456734 SLYZIBDKCWKYFX-UHFFFAOYSA-N 232.371 3.549 30 20 BHED N#Cc1ccccc1-c1ccccc1Cl 1257480 ZXDYQXRJKNAQJS-UHFFFAOYSA-N 213.667 3.879 30 20 BHED CCCCCCSc1cc(C#N)ccn1 34504540 SWJLEPJNUGXVLM-UHFFFAOYSA-N 220.341 3.626 30 20 BHED Cc1c(C(C)(C)C)c(CC#N)nc2ccccc12 48841912 NFUWWYISOSQCFV-UHFFFAOYSA-N 238.334 3.907 30 20 BHED Cc1cc([C@H](C)NCCCCC#N)c(C)s1 49578565 NMDFIEXPDMJTQN-NSHDSACASA-N 236.384 3.709 30 20 BHED C[C@H]1CCCC[C@@H]1N(C)Cc1cccc(C#N)c1 55386623 ZLALQEINLGODHN-BBRMVZONSA-N 242.366 3.569 30 20 BHED CCCCCCCCCCC(=O)NCC 82044054 QFZHIMKZKRGXQF-UHFFFAOYSA-N 213.365 3.653 30 20 BHED CCCCCCCCNCc1nccs1 103546536 HPFXTWLNSGCKOK-UHFFFAOYSA-N 226.389 3.593 30 20 BHED C=CCC[C@@H](Nc1ccc(C)nc1)C1CC1 134314506 JIMVOOXHPMWYIU-CQSZACIVSA-N 216.328 3.547 30 20 BHED C#CCCCCNC[C@H]1CCC[C@@H](CC)C1 134858936 VAXGHAXYRPNFER-CABCVRRESA-N 221.388 3.596 30 20 BHED C=C(C)CN[C@H](CCC)c1ccccc1 160187228 FRONZGNAAMJCDC-CQSZACIVSA-N 203.329 3.694 30 20 BHED CCCC1CCC(CN2CCC(C#N)CC2)CC1 179924134 DJXXIISADCPHNC-UHFFFAOYSA-N 248.414 3.828 30 20 BHED C[C@H](C#N)Oc1ccccc1NC1CCCCC1 180206151 ISNCOPYTMDZNKY-GFCCVEGCSA-N 244.338 3.722 30 20 BHED Cc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1F 185752092 MOMWDUCHGQJQBD-VXGBXAGGSA-N 232.302 3.628 30 20 BHED Cc1cccc(/C=C/C(=O)c2ccccc2C#N)c1 194588939 ZOTBRCHXBGFUFZ-MDZDMXLPSA-N 247.297 3.763 30 20 BHED N#Cc1ccc([N+](=O)[O-])c(SC2CCCC2)c1 302224448 UQRROOOAZZWNHL-UHFFFAOYSA-N 248.307 3.501 30 20 BHED CC1=C(C(O)=Nc2cnc(C(C)C)nc2)CCC1 330065144 RUFJNTLTCRGUGC-UHFFFAOYSA-N 245.326 3.688 30 20 BHED N#CC1(CSc2nc3ccccc3o2)CCC1 334660997 BUJCODJRBXTPJE-UHFFFAOYSA-N 244.319 3.614 30 20 BHED Cc1cccc(CSc2cccc(C#N)c2)n1 335857269 PEIVVVVXPOVTAP-UHFFFAOYSA-N 240.331 3.554 30 20 BHED C=CCC[C@H](C)NC1CCC(F)(F)CC1 336764062 PVAHTUSGOPDFCH-JTQLQIEISA-N 217.303 3.509 30 20 BHED C=CCC1(c2nc(C(CC)CC)no2)CCC1 346418487 SBFOYBGKWJDKER-UHFFFAOYSA-N 234.343 3.971 30 20 BHED N#CCCCN(c1ccc(F)cc1)C1CCCC1 362448564 FWDUIXLREPUDFZ-UHFFFAOYSA-N 246.329 3.878 30 20 BHED C=CCCCCN[C@@H](C)CSC(C)(C)C 389881141 OIWFVAISIDRVKQ-LBPRGKRZSA-N 229.433 3.853 30 20 BHED C=CC[C@@H](Cc1ccccc1)NC1CCCC1 414303835 OCALAINZOMJJBV-INIZCTEOSA-N 229.367 3.706 30 20 BHED C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@]1(CC)C(C)C 424887410 FTUFGXULMSKEFC-WFASDCNBSA-N 237.387 3.530 30 20 BHED C[C@H]1CCC[C@H]([C@H](C)NCCC(C)(C)C#N)C1 452055404 BOQGTEKMCSFBNT-IHRRRGAJSA-N 236.403 3.731 30 20 BHED CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@@H](C#N)C1 463297977 AGNRZQNWKPLGJH-TUVASFSCSA-N 234.387 3.627 30 20 BHED CC/C=C\CCOc1cc(C#N)ccc1C 466500035 SAYYWJIPZSBPCX-PLNGDYQASA-N 215.296 3.602 30 20 BHED N#Cc1ccn(C/C=C\c2ccc(Cl)cc2)c1 468399021 FBSOLSHAQVTHOO-UPHRSURJSA-N 242.709 3.727 30 20 BHED C=CC1CCN(C(=O)[C@H]2CCCC[C@@H]2CC)CC1 475927630 TZBCNUBLSVWFTC-GJZGRUSLSA-N 249.398 3.627 30 20 BHED C[C@H]1CCCC[C@@H]1c1noc(CCCCC#N)n1 594541029 WHTFUUVEUIAMGC-RYUDHWBXSA-N 247.342 3.600 30 20 BHED C=CCCCSCc1ccc(C)nc1 594559841 XBQVQBBCMLBNSB-UHFFFAOYSA-N 207.342 3.589 30 20 BHED C[C@H](CCC#N)CN(CC1CC1)C1CCCCC1 602459839 VBXYZWURTIQDQL-CQSZACIVSA-N 248.414 3.971 30 20 BHED C=CCC1(C(=O)N2CC(C(C)C)C2)CCCCC1 649223151 XXOBFBKCDFHPPQ-UHFFFAOYSA-N 249.398 3.627 30 20 BHED CCN(CCCCC1(C#N)CCC1)CC(C)C 675079545 HNTYKUZGOGZPST-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C=C(C)CCSc1ccc(COC)cc1 681371637 SORYELXLCAEVCV-UHFFFAOYSA-N 222.353 3.891 30 20 BHED C=CC[C@H](C)C(C)=NNc1ccc([N+](=O)[O-])cc1 727779707 QUXUKKPRCQZMQO-JTQLQIEISA-N 247.298 3.595 30 20 BHED Clc1ccc(NN=CC2CC2)cc1Cl 755634475 ULVQTUBZKCWYEP-UHFFFAOYSA-N 229.110 3.801 30 20 BHED C#CC[C@@H](NC[C@H]1CC=CCC1)c1ccccc1 756996840 SGAAZOQVAFODCD-DOTOQJQBSA-N 239.362 3.697 30 20 BHED C[C@@H]1CCC[C@H](C=NNc2cccc(C#N)c2)C1 768356110 VMHDLJGSPHRJOY-OCCSQVGLSA-N 241.338 3.782 30 20 BHED C#CCCCCCC(=O)N1C2CCCC1CCC2 779968012 UAIDQFKSENXJLU-UHFFFAOYSA-N 247.382 3.504 30 20 BHED CCCCCCCCNC(=O)/C=C\c1ccc[nH]1 783691259 UYOQROPEMOMSSV-KHPPLWFESA-N 248.370 3.505 30 20 BHED C[C@@H]1CCCC[C@@H]1C=NOC1CCCC1 783860106 VILSXUOVXGTDBZ-VXGBXAGGSA-N 209.333 3.758 30 20 BHED c1ccc(CON=C2CCC23CCCC3)cc1 788709994 SNTUIYJTMMBNMF-UHFFFAOYSA-N 229.323 3.913 30 20 BHED C=CCCCCCCCNC(=O)N(C)CCC 809853064 YYZDCZPVRZEECV-UHFFFAOYSA-N 240.391 3.564 30 20 BHED Fc1ccc(CON=Cc2cccc(F)c2)cc1 824206660 ZUBZRECIZFZHGJ-UHFFFAOYSA-N 247.244 3.516 30 20 BHED CC[C@H](C)C=NNc1cc(C(F)(F)F)ccn1 834984850 ZRSYOOCPOVWNSM-QMMMGPOBSA-N 245.248 3.544 30 20 BHED C=CCC(C)(C)C(=O)O[C@@H](CC)c1ccncc1 839448867 MQMBDRPNACBWRW-ZDUSSCGKSA-N 247.338 3.678 30 20 BHED CCCON=C1CCC[C@H](c2ncccc2C)C1 842551923 VIHZYKZWPHRBHK-ZDUSSCGKSA-N 246.354 3.830 30 20 BHED C=CC(C)(C)CC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 878874407 WPLZBCSFOVLUFV-MCIONIFRSA-N 249.398 3.768 30 20 BHED C=CCCC[C@H](C)NCc1ccccc1NC 902470433 XFIYCBAVUOUPEZ-ZDUSSCGKSA-N 232.371 3.563 30 20 BHED C=C[C@H](CC)CC(=O)N(C)Cc1cccc(C)c1 929945776 ULULJTOUVWKVOD-CQSZACIVSA-N 245.366 3.556 30 20 BHED C=CCCC[C@@H](C)NC(=O)CC(C1CC1)C1CC1 1319838391 DMFRQEYPQHPQAH-GFCCVEGCSA-N 249.398 3.674 30 20 BHED C=C(CC)C(=O)N[C@H](C)c1ccc(C2CC2)cc1 1548722063 VETPIKPSKUJLEL-GFCCVEGCSA-N 243.350 3.707 30 20 BHED Cc1cc(C)c(C#N)c(N[C@@H]2CCC[C@@H](C)C2)n1 25571578 SYSRCJRCQHZFOU-ZWNOBZJWSA-N 243.354 3.561 30 20 BHED C=CCN(C)Cc1cccc(Cl)c1Cl 61779646 IKINHEDRVDJTTL-UHFFFAOYSA-N 230.138 3.611 30 20 BHED CC(C)(C)CCOc1ccc(C#N)c(F)c1 87543587 SJJXFFFWPBIKPO-UHFFFAOYSA-N 221.275 3.512 30 20 BHED C=C(Cl)CN[C@H](C)c1cccc(C)c1C 129805988 JFUJEPPVUZSSGV-GFCCVEGCSA-N 223.747 3.707 30 20 BHED C=CCC[C@H](C)Nc1ccc2c(c1)OC(C)(C)O2 130647263 TVZAUTVGOHMXJX-NSHDSACASA-N 247.338 3.961 30 20 BHED C[C@@H](OC(=O)CC(C)(C)C)c1ccc(C#N)cc1 175805229 UNQXIHFBWZJQCE-LLVKDONJSA-N 245.322 3.599 30 20 BHED CCCC1(CN[C@H]2CCC[C@@H](C#N)C2)CCC1 185857594 FCQZAXXAODKNEE-KGLIPLIRSA-N 234.387 3.629 30 20 BHED CC(F)(F)CCSc1ccc(C#N)cc1 216279880 ZZOCAQSTIRTNJS-UHFFFAOYSA-N 227.279 3.696 30 20 BHED Cc1cccc(C(C)(C)NCCC(C)(C)C#N)c1 271990342 DPWJLKRPULPUSU-UHFFFAOYSA-N 244.382 3.760 30 20 BHED C=CCCN(C)C(=O)Nc1ccccc1C(C)C 276306959 MMEFSOXTEZYRRZ-UHFFFAOYSA-N 246.354 3.850 30 20 BHED CC(C)C1(N[C@H](C)c2ccc(C#N)c(F)c2)CC1 293597692 DDOXFCMGWDHFAY-LLVKDONJSA-N 246.329 3.537 30 20 BHED C=CCN[C@@H](c1ccc(Cl)cc1)C(C)C 309020064 WMTHNTWBRCDZHA-CYBMUJFWSA-N 223.747 3.813 30 20 BHED C=CCCCCCCNC(=O)c1cccs1 309263215 DUEMAUHOBZJXBE-UHFFFAOYSA-N 237.368 3.614 30 20 BHED C=CC[C@@H](C)NC(=O)c1cccc(C2CCC2)c1 337009234 DPDZUZHJIGIDRE-GFCCVEGCSA-N 243.350 3.649 30 20 BHED C=CCCN(C)Cc1cc(C)c2ncccc2c1 343470999 OVTJAYLXQIEDQY-UHFFFAOYSA-N 240.350 3.551 30 20 BHED C[C@@H](SCC1(C#N)CC1)c1ccccc1 344454649 GLNMPCOUTZMVRR-LLVKDONJSA-N 217.337 3.785 30 20 BHED CCCN(CCCC#N)[C@@H]1CCc2ccccc21 346597820 WOWPHMOUVFJHOB-MRXNPFEDSA-N 242.366 3.690 30 20 BHED C#Cc1cccc(N[C@@H]2CC=C(C)CC2)c1 381447852 GBOYDPOEHSRSKT-CQSZACIVSA-N 211.308 3.579 30 20 BHED C=CCCCCN[C@@H](C)c1cc(C)ccc1O 383364854 USJBWEGITWBBJG-ZDUSSCGKSA-N 233.355 3.708 30 20 BHED C=CCC[C@H](C)N[C@H]1CSc2ccccc21 390614410 GHYGICWERDREOE-AAEUAGOBSA-N 233.380 3.778 30 20 BHED C=CC[C@@H](CC)N[C@@H]1CCc2c(F)cccc21 393771383 HINPXPGJTLGZOO-IAQYHMDHSA-N 233.330 3.757 30 20 BHED C=CCCC[C@H](C)NC(=O)[C@H](C)CCCC 410009534 FZZAGNQVPHETME-OLZOCXBDSA-N 225.376 3.674 30 20 BHED COC[C@@H](C)SCCC1(C#N)CCCCC1 419412317 CUJZXYYAXOYZMG-GFCCVEGCSA-N 241.400 3.619 30 20 BHED C[C@H](c1cccc(C#N)c1)N1CCC(C)(C)CC1 442670135 IUZHTSZYZHHXPA-CYBMUJFWSA-N 242.366 3.741 30 20 BHED C=C(CC)CNC[C@@H](C)c1cc(F)cc(F)c1 449735651 RMMPTKYUWJDWJF-LLVKDONJSA-N 239.309 3.624 30 20 BHED N#C[C@H](SCc1cccnc1)C1CCCCC1 451046530 GRBIPNUZQMQYOA-AWEZNQCLSA-N 246.379 3.787 30 20 BHED C=C(C)CN1CC=C(c2c(F)cccc2F)CC1 473151041 JCWCGZQGEUDTMA-UHFFFAOYSA-N 249.304 3.630 30 20 BHED C=CCc1ccc(OCC[C@@H](C)F)c(OC)c1 505689241 FVAWEMLBKFFLFO-LLVKDONJSA-N 238.302 3.551 30 20 BHED C=CC1CCN(CCCc2ccccc2)CC1 522082954 WVDQJATVBGIXHI-UHFFFAOYSA-N 229.367 3.517 30 20 BHED C=CCCCSc1nc(C)nc2ccccc12 524228915 AGFJAGLAUGWUCU-UHFFFAOYSA-N 244.363 3.997 30 20 BHED C=C(C)CSCCOc1cccc(F)c1 530871488 AVQWWGFFWJDFCP-UHFFFAOYSA-N 226.316 3.514 30 20 BHED Cc1c(COC(C)(C)C)cccc1NCCC#N 583560361 HQQOHAORQPWPAK-UHFFFAOYSA-N 246.354 3.636 30 20 BHED CCN(C/C=C\c1ccc(Cl)cc1)[C@@H](C)C#N 595821344 UERPPMZUHSYOPH-RXNFCKPNSA-N 248.757 3.587 30 20 BHED C=CCCCN[C@H](C)c1ccc(C(F)F)nc1 657995512 IHCKPZRQAIGSEX-SNVBAGLBSA-N 240.297 3.636 30 20 BHED CC[C@@H]1C[C@H]1COc1ccc(C#N)cc1Cl 723130469 GUVFKRFZBHHCBP-MNOVXSKESA-N 235.714 3.637 30 20 BHED Cc1cc(C=NNc2ccccc2F)ccc1F 729142730 DJCCZLTZIBPWFO-UHFFFAOYSA-N 246.260 3.719 30 20 BHED CCCCCCC=NNc1cccc([N+](=O)[O-])c1 755480335 AIVHWHSNMAHATJ-UHFFFAOYSA-N 249.314 3.963 30 20 BHED CC(C)C1CCC(=NO[C@H]2CCCCO2)CC1 755813087 CLZYDCCKWUCJBK-PYMCNQPYSA-N 239.359 3.732 30 20 BHED C#CCCCCc1nc(C2CCC(C)CC2)no1 761797227 VPLVLZMAPSATRW-UHFFFAOYSA-N 246.354 3.709 30 20 BHED C#CCCCCc1nc([C@H]2CCC[C@@H](C)C2)no1 761797288 WFDUBGUXOFUQBI-OLZOCXBDSA-N 246.354 3.709 30 20 BHED CCC(CC)CNN=Cc1c[nH]c2ccccc12 774478852 RZVMFQDBNKVWLR-UHFFFAOYSA-N 243.354 3.528 30 20 BHED CCCCNN=Cc1c(Cl)cccc1CC 788712355 QXCSKBORTXPWLO-UHFFFAOYSA-N 238.762 3.626 30 20 BHED CC[C@H]1CCCC(=NNc2ncccc2C)C1 790192721 BUFHPVWENKCHOC-LBPRGKRZSA-N 231.343 3.758 30 20 BHED C=CCC(C)(C)C(=O)Oc1ccc(OCC)cc1 796731116 IRYDLYJGONJHKI-UHFFFAOYSA-N 248.322 3.593 30 20 BHED COc1ccccc1CON=C1CCCCC1 799118338 AKMIOZCHNQUGNC-UHFFFAOYSA-N 233.311 3.532 30 20 BHED C=CCCCCCCN[C@@H](C)c1c[nH]nc1C 806167716 GSMGESNYLBMSIA-LBPRGKRZSA-N 235.375 3.505 30 20 BHED Clc1ccc(NN=C2CC[C@@H]2C2CC2)cc1 814683682 LQFCMALBVXEKSO-GFCCVEGCSA-N 234.730 3.928 30 20 BHED Cc1ccc(C)c(C=NOCc2ccccc2)c1 839419155 LDBXYWZTCFWGJE-UHFFFAOYSA-N 239.318 3.854 30 20 BHED N#Cc1nc(SC2CCCC2)sc1Cl 853085287 JRKJORIKFCWGNZ-UHFFFAOYSA-N 244.772 3.703 30 20 BHED CCc1ccccc1NN=Cc1ccc(C)o1 915051750 PYDYHRDCEAKQHE-UHFFFAOYSA-N 228.295 3.596 30 20 BHED CC(CCC(C)C)=NNc1ccccc1[N+](=O)[O-] 916249393 JEOBZISKJGMBQU-UHFFFAOYSA-N 249.314 3.819 30 20 BHED C=CCN(C(=S)Nc1cccc(C)c1)C(C)C 917589389 UPIAFBAPYWSMOF-UHFFFAOYSA-N 248.395 3.588 30 20 BHED CC(=NOCC(C)C)c1ccc(F)cc1C 1253450505 ZCUHYEAUQUZEJP-UHFFFAOYSA-N 223.291 3.531 30 20 BHED CC(C)(C)C(C)(C)CNc1cccc(CC#N)n1 1324164411 WBVJBYKUMYSROE-UHFFFAOYSA-N 245.370 3.632 30 20 BHED CCCCCCCC(=O)N[C@H]1CCC[C@@H](F)C1 1327150857 OOVQSQBUIZHVNU-OLZOCXBDSA-N 243.366 3.744 30 20 BHED C=CCC1(c2nnc([C@H](C)CC)o2)CCCC1 1346662534 JYGXTANOMAUKBW-LLVKDONJSA-N 234.343 3.971 30 20 BHED CCC[C@H](C)C(CC)=NNc1ccc(C#N)cn1 1349840519 QOXCYBLMHQKHAW-NSHDSACASA-N 244.342 3.567 30 20 BHED C=C(CC)C(=O)Nc1cc(SC)ccc1C 1521302061 NSNPLQYPGPNCBT-UHFFFAOYSA-N 235.352 3.622 30 20 BHED C[C@H]1C[C@H](C(C)(C)C)CCN1CC1(CC#N)CC1 1559879314 GIPGQOKCCUDADV-UONOGXRCSA-N 248.414 3.827 30 20 BHED C=CC[C@@H](S[C@@H](C)c1cccs1)C(=O)O 1588759191 QYJKURQFKSCMGF-WCBMZHEXSA-N 242.365 3.572 30 20 BHED CC(C)c1cccc(Oc2ccc(C#N)cn2)c1 19804621 PBTYQEBEOQZZJR-UHFFFAOYSA-N 238.290 3.869 30 20 BHED C=CCCCNc1ccc(F)cc1Cl 70591532 QCCAQTSYLJULKY-UHFFFAOYSA-N 213.683 3.857 30 20 BHED CC1(C)CCC[C@@H](Nc2cccc(C#N)c2)C1 79971054 HXWRRLNWNBWSMW-CQSZACIVSA-N 228.339 3.939 30 20 BHED C=C(C)COCCN[C@H](C)c1ccc(C)cc1C 90450705 XZZLXDGPVXKGFO-OAHLLOKOSA-N 247.382 3.547 30 20 BHED CC(C)(C#N)CCSc1cccc(F)c1 94623148 FEMIFTIYOSEMSR-UHFFFAOYSA-N 223.316 3.858 30 20 BHED C[C@H](C#N)CSc1ccccc1NCC1CC1 127927699 ADUFVTBPAWLVJI-LLVKDONJSA-N 246.379 3.760 30 20 BHED C=C(C)CCN[C@@H](C)c1ccccc1Cl 168045417 NXYZYJMXTQMKHZ-NSHDSACASA-N 223.747 3.957 30 20 BHED CC[C@H]1CCc2ccccc2N1CCCCC#N 178071277 LQGAEEFVSMAYHS-HNNXBMFYSA-N 242.366 3.912 30 20 BHED CCCN(CC#N)C/C=C/c1ccc(Cl)cc1 179554927 BIEZGAJAMHOULP-ONEGZZNKSA-N 248.757 3.589 30 20 BHED C=CCN[C@H](C)c1ccc(SCC)cc1 182121208 QKNQRJBJADAHPE-LLVKDONJSA-N 221.369 3.635 30 20 BHED Cc1cc(C#N)ccc1CSC(C)C 186129669 RJWOHMKMRORLHK-UHFFFAOYSA-N 205.326 3.508 30 20 BHED Cc1ccc2[nH]c(S[C@H](C)CCC#N)nc2c1 188208573 AOAMCCWGPFTNDI-SNVBAGLBSA-N 245.351 3.656 30 20 BHED Cc1ccccc1OCCCSCCCC#N 190928865 OSPCVHMIHZCOAQ-UHFFFAOYSA-N 249.379 3.801 30 20 BHED CCCCCCCCS[C@H](C)[C@@H](C)O 231174359 TUKKHKNLTMURAF-VXGBXAGGSA-N 218.406 3.849 30 20 BHED C[C@@H]1CN(CC(C)(C)CCC#N)[C@@H]2CCCC[C@H]12 248375547 XCJZUTNGRDUACF-RBSFLKMASA-N 248.414 3.827 30 20 BHED C=C1CCN(Cc2ccc(C(F)F)cc2)CC1 274134146 IXYZPCKUMDTJKG-UHFFFAOYSA-N 237.293 3.776 30 20 BHED C=CCC(C)(C)CNCc1ccc(C)s1 310573185 OSLLGQSRKCAEFT-UHFFFAOYSA-N 223.385 3.748 30 20 BHED C=CC[C@H]1N(Cc2cc(C)no2)CCCC1(C)C 352369927 UHQIAQKUCVOILU-CQSZACIVSA-N 248.370 3.550 30 20 BHED CCC1(NCc2ccc(F)c(C#N)c2)CCCC1 382587361 XVGOCWWMDKZIRI-UHFFFAOYSA-N 246.329 3.510 30 20 BHED Cc1cc(CNC2(C)CCCCC2)ccc1C#N 443960449 OCEWOQLHWQBFIS-UHFFFAOYSA-N 242.366 3.679 30 20 BHED N#Cc1c(Cl)cccc1N1CCCC2(CC2)C1 450448221 BDRKURXXLBSHIA-UHFFFAOYSA-N 246.741 3.592 30 20 BHED CC(C)(CN[C@H]1CCC[C@H](C#N)C1)C1=CCCC1 453388037 FOQPUUYQUYNNNR-ZFWWWQNUSA-N 246.398 3.795 30 20 BHED C=CCC1(NC(=O)c2ccc(C)o2)CCCCC1 456377436 GGAFFABJTZTAPC-UHFFFAOYSA-N 247.338 3.597 30 20 BHED C=CCC1(C(=O)NC[C@@H]2CCCC[C@H]2C)CCC1 478122038 LXAWYQGIVMTWRE-KGLIPLIRSA-N 249.398 3.675 30 20 BHED C=CCSCC[C@H](C)OCc1ccccc1 479523853 AGHGLIGSYVGCKY-ZDUSSCGKSA-N 236.380 3.901 30 20 BHED CCC[C@@H](C(=O)Nc1cccc(C#N)c1)C(C)C 479978864 MCGNVSSMOYDXQS-CQSZACIVSA-N 244.338 3.569 30 20 BHED C=C(CC)CSc1cccc(OC)c1 538011636 YNNIOUXEHFREJR-UHFFFAOYSA-N 208.326 3.754 30 20 BHED N#CC1(CN2CCC[C@H]2CC2CCCCC2)CC1 539450523 DNFIRUMIWLOLKB-HNNXBMFYSA-N 246.398 3.725 30 20 BHED C=CCC(C)(C)C(=O)NCC1(CCC)CCC1 560280952 UCTWANLBLFQBAH-UHFFFAOYSA-N 237.387 3.675 30 20 BHED C=CCCCCSC[C@H]1CCCCO1 577165638 UZDXFEHSMDLPHM-GFCCVEGCSA-N 214.374 3.645 30 20 BHED C=CCC[C@H](C)NCC(C)(C)C(O)(CC)CC 577747807 AGZBFYBQCUPGGL-ZDUSSCGKSA-N 241.419 3.508 30 20 BHED C=CCCC(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C 580913725 SWQQKSFPVTYYQX-QWHCGFSZSA-N 237.387 3.626 30 20 BHED C[C@H](c1cccc(C#N)c1)N(C)CC1=CCCC1 592125769 IVPKWZXUKVIOHM-CYBMUJFWSA-N 240.350 3.661 30 20 BHED CC(C)(C#N)CCSCCC1CCC1 596364654 QPSZOJDVTIYCRQ-UHFFFAOYSA-N 211.374 3.850 30 20 BHED C=CCCC(C)(C)NC(=O)[C@H]1CCCC1(C)C 620858088 VTISARHIOAFCMC-GFCCVEGCSA-N 237.387 3.674 30 20 BHED CCC(CC)NN=C(C)c1sccc1C 734366431 RNRJGIZBTSWBTJ-UHFFFAOYSA-N 224.373 3.559 30 20 BHED N#Cc1csc(/C=C/C(=O)C2CCCCC2)c1 748440718 QRWUXJLLUCYARH-VOTSOKGWSA-N 245.347 3.782 30 20 BHED CC(CC1CCCC1)=NN[C@@H]1C[C@H]2CC[C@H]1C2 774596861 MNBWQHUVBIRMSU-SOUVJXGZSA-N 234.387 3.721 30 20 BHED C=CCN(Cc1cc2ccccc2[nH]1)C(C)C 789726464 MRIUYBZINBVYFR-UHFFFAOYSA-N 228.339 3.564 30 20 BHED CC[C@@H](C)NN=Cc1ccc(Cl)cc1Cl 790186967 DBPTZIFKLLYRIX-MRVPVSSYSA-N 245.153 3.715 30 20 BHED COc1ccc(NN=C2CC[C@@H]2C2CCC2)cc1 814885163 PKKYYYBXWAQEDF-CQSZACIVSA-N 244.338 3.673 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)c1ccc[nH]1 824050844 MDQAOJXEJGKBOY-STQMWFEESA-N 220.360 3.800 30 20 BHED N#CC1(CCOC(=O)CC2CCC2)CCCCC1 840236940 ZWMKFMCYHOUHHH-UHFFFAOYSA-N 249.354 3.584 30 20 BHED CCCCCCCCN[C@H]1CCCn2ccnc21 848534147 YAVZUPTUAWJBGG-AWEZNQCLSA-N 249.402 3.668 30 20 BHED CC(C)(C)ON=C1CCC[C@@H]1C(C)(C)C#N 1327801042 SEXFCCAUKDDDNZ-JTQLQIEISA-N 222.332 3.507 30 20 BHED Cc1cc(SCc2nccs2)ccc1C#N 1652911555 BUNRLISGFMADFT-UHFFFAOYSA-N 246.360 3.616 30 20 BHED C[C@H](N[C@H]1CCCC[C@@H]1C)c1ccc(C#N)cc1 19945254 BPGSJKPPVGTDEW-XEZPLFJOSA-N 242.366 3.788 30 20 BHED CC(C)CCN(Cc1ccc(C#N)cc1)C(C)C 60208173 YPVWPVIVAKSHRT-UHFFFAOYSA-N 244.382 3.815 30 20 BHED C=CCN(Cc1ccco1)Cc1ccc(C)s1 69003721 SSMHFPQALAIRCK-UHFFFAOYSA-N 247.363 3.838 30 20 BHED C[C@H]1CCC[C@H](CNc2cccc(F)c2C#N)C1 89605662 ABYPWIPJAGVKKP-RYUDHWBXSA-N 246.329 3.936 30 20 BHED CCCCCCCS[C@@H](C)CC(=O)O 117473746 BUCSRXYEIBMJAH-JTQLQIEISA-N 218.362 3.553 30 20 BHED CCCCCCCS[C@H](C)CC(=O)O 117473748 BUCSRXYEIBMJAH-SNVBAGLBSA-N 218.362 3.553 30 20 BHED CC(C)(C)CSCc1cccc(C#N)c1 149945797 METANIKCAPNUSK-UHFFFAOYSA-N 219.353 3.838 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cnc2ccsc2c1 157276114 NRLDGVBYPVNNQH-NXEZZACHSA-N 232.352 3.521 30 20 BHED N#C[C@H]1CCC[C@H](NCc2ccccc2Cl)C1 185759100 GVLMBKLIICLNCW-AAEUAGOBSA-N 248.757 3.512 30 20 BHED CCC[C@@H](CC)Nc1snc(Cl)c1C#N 195165651 XNPRVNQHUZPPRL-SSDOTTSWSA-N 243.763 3.659 30 20 BHED C#C[C@@H](N[C@H](C)CSC(C)(C)C)C(C)(C)C 309555050 JLKWGXPFPCJSFY-VXGBXAGGSA-N 241.444 3.544 30 20 BHED Cc1cc(COc2ccc(C#N)c(F)c2)cs1 310360018 JTCBBWDPVGGPIP-UHFFFAOYSA-N 247.294 3.646 30 20 BHED CCCCN(CCC#N)[C@@H]1CCC[C@@H](C)C1 339642876 BZHYIWUDCRGNJQ-ZIAGYGMSSA-N 222.376 3.581 30 20 BHED C=CC[C@H](CC)N[C@H]1CCCc2ccc(O)cc21 340542186 MTAQGARYWDYAOD-BBRMVZONSA-N 245.366 3.714 30 20 BHED N#CC1(CSCC2CCCCC2)CC1 344480052 RHBCXSAZOFWSNF-UHFFFAOYSA-N 209.358 3.604 30 20 BHED C=CCCCN(C)Cc1cc2c(F)cccc2[nH]1 438132478 ZEXQNWPWXDUANF-UHFFFAOYSA-N 246.329 3.705 30 20 BHED C=CCC1(NCc2ccc(C)nc2)CCCCC1 449576996 VHZAPWABHDPLEY-UHFFFAOYSA-N 244.382 3.759 30 20 BHED C=CCC1(CNC(=O)c2cccs2)CCCC1 456484195 IUSMNSWPRVUIFD-UHFFFAOYSA-N 249.379 3.614 30 20 BHED CC#CCSCc1cc(-c2ccccc2)on1 464097685 SJJOVYMFLSLZPC-UHFFFAOYSA-N 243.331 3.598 30 20 BHED C=CCCCCCSC[C@H]1CCCOC1 516945595 WDWLUYPPAQITLK-ZDUSSCGKSA-N 228.401 3.893 30 20 BHED C=CCC[C@@H](CCC)NCCc1ccc(O)cc1 537964829 GLKYRYPQPOSGQS-OAHLLOKOSA-N 247.382 3.659 30 20 BHED C/C(=C/c1ccccc1)CN(C)CC(C)(C)C#N 572065987 MGVCNYGUUWQZON-UVTDQMKNSA-N 242.366 3.571 30 20 BHED CCCCCN[C@H](C)c1ccc(C#N)c(F)c1 611465397 GQUMTFSIBNIXMV-LLVKDONJSA-N 234.318 3.538 30 20 BHED CC[C@@H](N[C@H](C)C1CCC1)c1ccc(C#N)cc1 618572340 WZHNIAHUJAWWHV-MLGOLLRUSA-N 242.366 3.788 30 20 BHED Cc1ccc(F)c(/C=C/C(=O)c2ccc(C)o2)c1 734981730 UVKHSPKHZYGOEE-FNORWQNLSA-N 244.265 3.932 30 20 BHED CC(=NNc1ccc(Cl)nc1)C1CCCC1 743451807 MAYMPPIYGADLEG-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C=CCCCOC(=O)c1cc(Cl)cs1 758750619 YVDLMRCMBVRFFD-UHFFFAOYSA-N 230.716 3.525 30 20 BHED C=CCN(Cc1cccc2[nH]ccc12)C(C)C 768550314 KSQSZACEZGTDKS-UHFFFAOYSA-N 228.339 3.564 30 20 BHED CC(C)(C)CC=NNc1cc(Cl)ccn1 777905483 JWCHQDWDDKJFNE-UHFFFAOYSA-N 225.723 3.569 30 20 BHED CCOCCON=C1CCC[C@H](CC(C)C)C1 794537152 VNZXUORJHOVEQT-CYBMUJFWSA-N 241.375 3.632 30 20 BHED C=CCCCCCCNC(=O)C[C@H]1C=CCCC1 805221830 VNWPGQIPVVPLDB-HNNXBMFYSA-N 249.398 3.986 30 20 BHED N#C[C@@H]1CCC[C@H](OC(=O)CCC2CCCC2)C1 839042707 IFHTWWNSFRIWRZ-KGLIPLIRSA-N 249.354 3.582 30 20 BHED CC(C)C(C)(C)C(=O)O[C@@H](C)CC(C)(C)C#N 851204995 BOQPZOLCRZCFNR-NSHDSACASA-N 239.359 3.540 30 20 BHED C[C@H](C=NOCC1CCC1)c1ccc(F)cc1 853439255 GICCPIJTSHOWPA-LLVKDONJSA-N 235.302 3.732 30 20 BHED C[C@H]1C[C@@H](NCC2(C#N)CCC2)c2ccccc21 903035441 PHIIXIYYKVBETD-SWLSCSKDSA-N 240.350 3.518 30 20 BHED CCCC[C@H](NCC1(C#N)CC1)c1ccccc1 903105585 FGTHSUYVZFHFFC-HNNXBMFYSA-N 242.366 3.811 30 20 BHED C=C[C@H](CC)CC(=O)Nc1cc(C)ccc1OC 929198582 GMCFYPSANBKRJU-GFCCVEGCSA-N 247.338 3.544 30 20 BHED CC[C@H]1CCCC[C@@H]1CNc1ncccc1C#N 1307128850 GOWQYFAXMBMMTK-GXTWGEPZSA-N 243.354 3.582 30 20 BHED N#CC1(CS[C@H]2CCc3c(F)cccc32)CC1 1320647542 BNUXVBHWTWSOPW-ZDUSSCGKSA-N 247.338 3.850 30 20 BHED CCCC(CCC)Nc1cccc(OCC#N)c1 37069618 SESYLKWUFOVLSJ-UHFFFAOYSA-N 246.354 3.970 30 20 BHED C#Cc1cccc(NCc2ccc(Cl)o2)c1 37503774 VMCCFVKAUHAQMP-UHFFFAOYSA-N 231.682 3.526 30 20 BHED C[C@H]1CCCC[C@H]1CNc1cccc(F)c1C#N 93396627 QROKCYUBZNAHSI-RYUDHWBXSA-N 246.329 3.936 30 20 BHED C[C@@H](c1ccc(Cl)cc1)N(CCC#N)C1CC1 103469364 LDTOALMSEUWETI-NSHDSACASA-N 248.757 3.779 30 20 BHED CCCCCCCC(=O)NCCC(C)C 106097314 REQCSZJUXVVNII-UHFFFAOYSA-N 213.365 3.509 30 20 BHED C=C[C@H](C)N[C@@H](C)c1ccc(CC)s1 119366173 KQAOSDPOOUEXQL-UWVGGRQHSA-N 209.358 3.536 30 20 BHED CC(C)c1cnc(S[C@@H](C)C#N)n1C(C)C 128907081 QTDAJCWTTIFHIQ-JTQLQIEISA-N 237.372 3.592 30 20 BHED C=CCCSc1ccc(Br)cn1 145327261 RBTPJFRASWSXPE-UHFFFAOYSA-N 244.157 3.512 30 20 BHED C=CCC[C@H](CCC)NCc1cccc(C#N)c1 151398058 YAAVIBDDFSETBT-INIZCTEOSA-N 242.366 3.783 30 20 BHED C=CC[C@@H](C)N[C@@H](C)CCc1cccc(C)c1 163327664 IOAHHENWKRTZID-CABCVRRESA-N 231.383 3.870 30 20 BHED C=CCCN[C@@H](c1ccc(C)cc1)C1CC1 168550874 DBYLBRRFDGAUEZ-HNNXBMFYSA-N 215.340 3.612 30 20 BHED CCC[C@@H]1CCCCN1Cc1ccc(C#N)s1 184234050 BFPGVNKXPUZQJD-GFCCVEGCSA-N 248.395 3.774 30 20 BHED CC(C)C(C)(C)CN[C@H](C)c1ccc(C#N)cc1 219272539 RLAKQGAKNRWCOV-CYBMUJFWSA-N 244.382 3.891 30 20 BHED C[C@H](N[C@H]1CC[C@H](C)CC1)c1ccc(C#N)cc1 245865401 IMKWENMSMYECOJ-XEZPLFJOSA-N 242.366 3.788 30 20 BHED C=CCCC(=O)Nc1c(C)cc(C)cc1C 263665428 KSPDWPJLJWTNPL-UHFFFAOYSA-N 217.312 3.517 30 20 BHED C=C(Cl)CSCc1ccccc1C 301606709 UMAVLYDWXMUBSB-UHFFFAOYSA-N 212.745 3.981 30 20 BHED C[C@@H]1CCC[C@@H](COc2ccccc2C#N)C1 305977002 QSESVVZSYJJWDW-CHWSQXEVSA-N 229.323 3.763 30 20 BHED C#CCSc1c(Cl)cccc1Cl 306305147 DPFBVYCLSKHFIR-UHFFFAOYSA-N 217.120 3.719 30 20 BHED C[C@@H]1CCC[C@](C=O)(C/C=C/Cl)C1 306344230 NDFVWMBHQHXRSF-JZAOELKXSA-N 200.709 3.524 30 20 BHED CC[C@H](CC#N)N[C@@H]1CCCC12CCCCC2 313096447 DRAGTVOSKUPUSM-ZIAGYGMSSA-N 234.387 3.771 30 20 BHED Cc1nc(N[C@@H](C)CC2CC2)c(Cl)cc1C#N 336697214 IXXFLILWLCEIEI-QMMMGPOBSA-N 249.745 3.516 30 20 BHED Cc1cc(F)ccc1CNCC(C)(C)CCC#N 342294507 HLWFCHHTAPMPFI-UHFFFAOYSA-N 248.345 3.554 30 20 BHED C=C(C)CCc1noc(-c2occc2C(C)C)n1 347258552 DXQZCQJWOARARW-UHFFFAOYSA-N 246.310 3.962 30 20 BHED C=CCNC1(c2ccc(Cl)c(Cl)c2)CC1 379977476 FFXGSJPSADWEGF-UHFFFAOYSA-N 242.149 3.758 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1CCS[C@@H]1C 380138035 UZJKKSXDXUMQKY-YNEHKIRRSA-N 227.417 3.605 30 20 BHED C=CC[C@@H](CC)Nc1cccc(F)c1[N+](=O)[O-] 393785452 XFLIDCJUTXECJM-SECBINFHSA-N 238.262 3.501 30 20 BHED C=CCCC[C@H](C)Nc1ncnc2ccccc12 398240781 YTRUTLNXTAMVPA-LBPRGKRZSA-N 241.338 3.787 30 20 BHED C=CC[C@H](CC)NC[C@@H]1C[C@@H]1c1ccccc1 466406446 WYBLDJCIVIBFHO-HRCADAONSA-N 229.367 3.734 30 20 BHED Cc1c(COC(C)(C)C)cccc1N[C@@H](C)C#N 466990365 WVDIWDGITCVZGF-NSHDSACASA-N 246.354 3.634 30 20 BHED CCc1cccc(CSCC2(C#N)CC2)c1 468648597 LSQXMRBBVLEWSE-UHFFFAOYSA-N 231.364 3.786 30 20 BHED C=C(C)CN(CC)Cc1cc(Cl)cs1 495077076 CVRPJFDTAWSJBR-UHFFFAOYSA-N 229.776 3.800 30 20 BHED C=C(C)CCN1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 509667362 QTMLMQQHMPYJRH-ZFWWWQNUSA-N 247.357 3.970 30 20 BHED Cc1cccc(Nc2ncc(C#N)cc2Cl)c1 513610439 WJRMCBBLSGZUGP-UHFFFAOYSA-N 243.697 3.659 30 20 BHED C=CCOc1cccc(CNC(C)(C)C2CC2)c1 540627154 FYWHVDWOHIUXLF-UHFFFAOYSA-N 245.366 3.530 30 20 BHED C=CC[C@H]1CCCN(CCCCC(C)(C)C#N)C1 595660195 SIFUEOLZLSULEF-HNNXBMFYSA-N 248.414 3.995 30 20 BHED N#CCC1(COc2cc(Cl)ccc2F)CC1 596256433 ARRHVFOJODJBHS-UHFFFAOYSA-N 239.677 3.552 30 20 BHED C=CCCCSc1ccc2c(c1)OCCO2 605076281 VRLOAPDXQVDSKD-UHFFFAOYSA-N 236.336 3.516 30 20 BHED N#Cc1cccc(NCc2cc3ccccc3[nH]2)c1 618948513 DIQIDUANLTZMIN-UHFFFAOYSA-N 247.301 3.652 30 20 BHED C=CC(C)(C)C(=O)Nc1ccc(C2CC2)cc1 649298410 SBTVVXNNYTXJTK-UHFFFAOYSA-N 229.323 3.715 30 20 BHED C=C(CC)CNC1(c2ccc(F)cc2)CCC1 678624781 FVJVUAJBYQYPFG-UHFFFAOYSA-N 233.330 3.761 30 20 BHED C=CCCOC(=O)C[C@H](CC)c1ccc(C)cc1 739153107 ISZMUOXQNJIGOH-AWEZNQCLSA-N 246.350 3.998 30 20 BHED COc1cc(F)cc(NN=C[C@@H]2CC=CCC2)c1 759209778 JECVUSHNJRZIOQ-LLVKDONJSA-N 248.301 3.588 30 20 BHED Cc1ccc(SCCON=C2CCC2)cc1C 763427341 QCBTUWINQIWQFO-UHFFFAOYSA-N 249.379 3.952 30 20 BHED CC[C@H]1C[C@H](C)CCC1=NOCc1cccnc1 769583098 CCPVVELENMWCBX-OCCSQVGLSA-N 246.354 3.800 30 20 BHED Cc1ccc(C)c(/C=C\C(=O)c2cncs2)c1 776434088 ONVRYZZWJMLJEW-WAYWQWQTSA-N 243.331 3.656 30 20 BHED CCCCCCCC(C)=NOC[C@@H]1CCOC1 788031964 KUTXMUMKDIRHKT-CQSZACIVSA-N 241.375 3.776 30 20 BHED CC[C@@H](C)NN=C(C)C[C@H](C)CC(C)C 790181558 FFEBCSXZRDGIAG-VXGBXAGGSA-N 212.381 3.823 30 20 BHED C#CCCCCCC(=O)N(C)[C@@H]1CCC(C)(C)C1 794274022 KDIKXBDJRWZLKM-CQSZACIVSA-N 249.398 3.607 30 20 BHED CSCCON=C1CCC[C@H](C(C)C)C1 794572882 KCUSYWHQQGHWLS-NSHDSACASA-N 229.389 3.568 30 20 BHED CC(C)(C)CCNN=C1CCC[C@@H]1CCF 794929207 QIODSCXTGBTUOF-LLVKDONJSA-N 228.355 3.528 30 20 BHED CC(C)C[C@@H](C)C=NNc1ccc(C#N)cc1 799109128 WFRWKJNZVUXZIA-GFCCVEGCSA-N 229.327 3.638 30 20 BHED C#CCCCN1CC[C@@H](C(C)(C)C)C[C@@H]1C 805839195 OGQKHYLOLHQVNB-UONOGXRCSA-N 221.388 3.546 30 20 BHED CC(C)[C@@H]1CCCCC1=NOC1CCC1 812237347 VRCLRIZTHGOMPY-LBPRGKRZSA-N 209.333 3.758 30 20 BHED Cc1ccccc1C(=NOCC1CC1)C1CC1 814241108 DESCUEDJIJRIBC-UHFFFAOYSA-N 229.323 3.536 30 20 BHED CCc1cccc(C)c1NN=C1CCS[C@@H]1C 814923892 ZXTJIKNKIHIVED-LLVKDONJSA-N 248.395 3.851 30 20 BHED C[C@H](NN=C1CCCC12CCCC2)C(F)(F)F 834999577 WKVUPAOJQCEOHC-VIFPVBQESA-N 248.292 3.627 30 20 BHED C=C[C@H](C)OC(=O)[C@H](C)c1ccc(Cl)cc1 845521921 GKDKCGGPFHUOCE-VHSXEESVSA-N 238.714 3.561 30 20 BHED C=CCN(Cc1ccc2c(c1)COC2)C(C)(C)C 852554906 YKMVIIMSYXMDOF-UHFFFAOYSA-N 245.366 3.503 30 20 BHED C=CCC1(NCC(=C)Cl)CCCCC1 859744785 IRNBFYGAVPPPJY-UHFFFAOYSA-N 213.752 3.608 30 20 BHED Cc1cccc(NN=C2CCCCC[C@@H]2C)n1 863160418 DGVQTAFAWQOKAT-NSHDSACASA-N 231.343 3.758 30 20 BHED C=CC(C)(C)CC(=O)NC[C@H](C)c1ccccc1 877897030 OJKQDCQEUYUVOC-ZDUSSCGKSA-N 245.366 3.509 30 20 BHED C=C1CC(c2noc(C3CCCCC3)n2)C1 896889631 CLIZZGDSMGFKCL-UHFFFAOYSA-N 218.300 3.551 30 20 BHED C=CCC[C@@H](CCC)N[C@H](C)Cc1cccnc1 897971095 WUSMHXWQNDONGP-GDBMZVCRSA-N 246.398 3.737 30 20 BHED C=CC[C@@H](C)N[C@H](CC)c1cccc(C#N)c1 902867157 AHMJHVVMDDIPIR-IUODEOHRSA-N 228.339 3.564 30 20 BHED C#Cc1cccc(NC(=O)c2cccc(C)c2C)c1 41636853 HJGBVPLNDYINOG-UHFFFAOYSA-N 249.313 3.537 30 20 BHED C=C(CC)CN[C@@H](CC)c1cccs1 85058006 MWPKCKMKWLCZDH-NSHDSACASA-N 209.358 3.755 30 20 BHED C=CCCS[C@@H](C)C(=O)Nc1cccc(C)c1 151961401 ONDUWHRLDXZMEP-LBPRGKRZSA-N 249.379 3.631 30 20 BHED C=CCCN[C@H](C)c1oc2ccccc2c1C 168689118 XKDXDYODAIHJTF-GFCCVEGCSA-N 229.323 3.968 30 20 BHED CCC[C@H](C)CC(=O)Nc1cccc(C#N)c1C 178380251 AFMOZIQFUSKEHU-NSHDSACASA-N 244.338 3.632 30 20 BHED C=CCCC(=O)Nc1ccc2oc(C)c(C)c2c1 185383421 JPMZPTOKSSVSSX-UHFFFAOYSA-N 243.306 3.954 30 20 BHED N#C[C@@H]1CCC[C@@H](Nc2ccccc2Cl)C1 185735007 LPURGCUOVGDLDX-GHMZBOCLSA-N 234.730 3.834 30 20 BHED C=CCCCCCOc1ccc(C=O)cc1 232585938 FMFKCSFTUUSHEU-UHFFFAOYSA-N 218.296 3.624 30 20 BHED N#Cc1cccc(Cl)c1N[C@@H]1CC[C@H](F)C1 309579118 PTQLKIYKLONATO-VHSXEESVSA-N 238.693 3.514 30 20 BHED C=CCCSCCCCOC(C)(C)C 339090636 HVXPUPJNXDDLJM-UHFFFAOYSA-N 216.390 3.891 30 20 BHED C=CCC1(NC(=O)[C@]23CCC[C@@H]2C3)CCCCC1 421554044 MRMJINHWXMLXNC-CJNGLKHVSA-N 247.382 3.572 30 20 BHED CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccsc1 424317521 BZPDSGKTNIGQQL-YUTCNCBUSA-N 248.395 3.871 30 20 BHED C[C@H](Sc1ccc(C#N)cc1)C(F)(F)F 427534920 RXEFLLQJILSHHJ-ZETCQYMHSA-N 231.242 3.601 30 20 BHED C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 431799945 VIRJNCSNSKMNDU-XUXIUFHCSA-N 249.398 3.530 30 20 BHED Cc1cc(N[C@@H]2CC[C@H](C#N)C2)ccc1C1CC1 442843795 ULCYHXPJMSEUAY-SWLSCSKDSA-N 240.350 3.977 30 20 BHED CC[C@H](NC[C@@H]1CC1(C)C)c1ccc(C#N)cc1 447581812 WIIWYPBVDWFQJK-GJZGRUSLSA-N 242.366 3.645 30 20 BHED C=CC[C@H](C)[C@H](C)NCCC1CC(F)(F)C1 453416059 JTKPUDRAPAVAMH-QWRGUYRKSA-N 231.330 3.612 30 20 BHED C=CCCN(C)CCCSCc1ccccc1 467289157 MAFGZHNLDVLOCT-UHFFFAOYSA-N 249.423 3.818 30 20 BHED C=C(C)CCN(Cc1ccc(C#N)cc1)C(C)C 509259476 GTUHPHIUOBHDRE-UHFFFAOYSA-N 242.366 3.735 30 20 BHED C=CCCCC(=O)N(C(CC)CC)C1CC1 530645407 LVJUUXDZRZNARH-UHFFFAOYSA-N 223.360 3.522 30 20 BHED C=CC[C@@H](C)[C@H](C)NCC(O)(CCC)CCC 531968573 QHVHZSGGQCCMMC-KGLIPLIRSA-N 241.419 3.508 30 20 BHED C=CCC[C@H](C)N[C@@H]1CCO[C@H](C(C)(C)C)C1 543617328 SJBBZFQIOKZLRQ-MJBXVCDLSA-N 239.403 3.524 30 20 BHED C=C(C)CN1C[C@H](C)C[C@@H]1c1cccc(OC)c1 544109684 FOHMWWMDRNPAGC-CZUORRHYSA-N 245.366 3.654 30 20 BHED COc1ccccc1CSCC(C)(C)CC#N 573935859 RZYSPWYHNSEJCU-UHFFFAOYSA-N 249.379 3.868 30 20 BHED N#C[C@H]1CC[C@H](NC2CCC(C3CCC3)CC2)C1 594943413 DDEHDCGXBFYACC-MFNGEMCRSA-N 246.398 3.627 30 20 BHED CC(C)CC1(N[C@H](C)c2cccc(C#N)c2)CC1 595095829 QEUSDBTWLMIGOS-CYBMUJFWSA-N 242.366 3.788 30 20 BHED CSc1ccccc1NC[C@H](C)CCC#N 602490294 QGYDRXVUZIHPLH-LLVKDONJSA-N 234.368 3.760 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1NCCCOC(C)C 657819072 DVJDEUUVWYKVMJ-CABCVRRESA-N 239.403 3.526 30 20 BHED C=C(C)CCc1noc([C@](C)(F)CCCC)n1 664878567 WWQFXRWLAXUISD-CYBMUJFWSA-N 240.322 3.953 30 20 BHED C=CCCCCCN1CCOc2ccccc2C1 683779564 DHEZWUGMVJZJMR-UHFFFAOYSA-N 245.366 3.627 30 20 BHED C=CCN(Cc1ncc(C(C)C)s1)C(C)C 753535201 IVWAJMJCGDEGFT-UHFFFAOYSA-N 238.400 3.663 30 20 BHED CC[C@H]1CCCC1=NNc1cccc(C)c1 758359633 QBKQMHXGLMTEIC-LBPRGKRZSA-N 216.328 3.973 30 20 BHED C#CCCCCCC(=O)Oc1ccc(C)c(F)c1 789654751 ATXGNZXBERDXKB-UHFFFAOYSA-N 248.297 3.623 30 20 BHED C[C@@H](NN=CC1CCCCC1)C(C)(C)C 793111472 HZPPRDUWSMQBPJ-LLVKDONJSA-N 210.365 3.577 30 20 BHED C[C@H](NN=Cc1ccc2occc2c1)C(C)(C)C 793115608 OBVPJABKSPJIRE-NSHDSACASA-N 244.338 3.791 30 20 BHED CC[C@@H]1CC[C@@H](C)CC1=NNc1ccnc(F)c1 797403239 FGCHKSKCNVSIFK-GHMZBOCLSA-N 249.333 3.835 30 20 BHED C=CCOC(=O)CCc1ccc(C(C)(C)C)cc1 809462448 WNWYXZDKPVZVNM-UHFFFAOYSA-N 246.350 3.646 30 20 BHED CC(=NOCc1cccnc1)[C@@H]1CCCC[C@@H]1C 834967014 WQYPTKNJEKCZAU-SWLSCSKDSA-N 246.354 3.800 30 20 BHED N#C[C@H]1CCC[C@@H](OC(=O)CC2=CCCCC2)C1 839049733 KMMYUDNTCTZQDD-UONOGXRCSA-N 247.338 3.502 30 20 BHED N#C[C@@H]1CCC[C@@H](OC(=O)CC2=CCCCC2)C1 839049734 KMMYUDNTCTZQDD-ZIAGYGMSSA-N 247.338 3.502 30 20 BHED CCCCCCCCC(=O)N[C@@H]1C=CCCC1 1319595464 QYLIEFRMKFIDPQ-CQSZACIVSA-N 237.387 3.962 30 20 BHED C=C(CC)C(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 1346246601 IOUXILATYZQLON-WCQYABFASA-N 247.338 3.545 30 20 BHED CCCCCCCCCNC(=O)c1ccncc1 3159752 QXXUWQVNQYUFOE-UHFFFAOYSA-N 248.370 3.562 30 20 BHED C[C@H](N[C@H](C)c1ccco1)c1ccc(C#N)cc1 35739029 VVANBVZTMUTVGG-NWDGAFQWSA-N 240.306 3.563 30 20 BHED Cc1cccc(CNc2ccc(C#N)cc2)c1C 43304760 ONDITAKSSZWTAJ-UHFFFAOYSA-N 236.318 3.787 30 20 BHED CC[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1 44317503 PVEYBHUWQIOOJO-HIFRSBDPSA-N 228.339 3.939 30 20 BHED C[C@@H]1CCC[C@@H]1Nc1cc(Cl)ccc1C#N 70832509 FUTDXHWHCCNHHQ-SKDRFNHKSA-N 234.730 3.812 30 20 BHED C[C@@H]1CCCC[C@@H]1CNCC(C)(C)CCC#N 135163163 NKOLYSWPWSSIAR-ZIAGYGMSSA-N 236.403 3.732 30 20 BHED C=CC[C@H](C)N[C@H]1CCCC[C@@H]1C(C)C 161644870 JBDWOKYNWMKABP-MJBXVCDLSA-N 209.377 3.755 30 20 BHED O=C(/C=C/c1cc(Cl)cs1)c1ccco1 195339214 PNMPNSTYMDRDJW-ONEGZZNKSA-N 238.695 3.891 30 20 BHED C#CCCCN[C@@H](C)c1cccc(OC(C)C)c1 271752613 LACFPLDWCSGQHW-AWEZNQCLSA-N 245.366 3.538 30 20 BHED CC(C)(C#N)CCn1nc(Cl)c2ccccc21 281922307 OCDFHWRYOMTXDT-UHFFFAOYSA-N 247.729 3.630 30 20 BHED CCCCCC/N=C(/N)Nc1cccc(CC)c1 303696844 FIVMRLAFRQVKTP-UHFFFAOYSA-N 247.386 3.556 30 20 BHED Cc1cnc(N=C(O)CC2(C)CCCCC2)o1 328732365 IYOPYDCWOXMLTR-UHFFFAOYSA-N 236.315 3.932 30 20 BHED C=CC[C@H](C)N[C@H]1CCC[C@@H](c2cccnc2)C1 337332327 ICFAPYNHAJQXGZ-LZWOXQAQSA-N 244.382 3.662 30 20 BHED CC[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 360816266 AEONCMYUUYMBBM-WBMJQRKESA-N 242.366 3.714 30 20 BHED C=CCCCN1CCC(c2ccsc2)CC1 362640841 CFEPFQGGBJOJFW-UHFFFAOYSA-N 235.396 3.894 30 20 BHED C=CC[C@H](CC)NC(=O)C[C@@H]1CCC[C@H](C)C1 410127447 NEQOTKHQDNAJTG-MJBXVCDLSA-N 237.387 3.674 30 20 BHED C=CC(C)(C)CNC(=O)[C@@H](CC)CCCC 456121672 XXEOBIAIWRQFEZ-LBPRGKRZSA-N 225.376 3.531 30 20 BHED C=C(CC)CNC(=O)[C@@H](CCC)c1ccccc1 456823541 BNNUZYYKFADZAV-HNNXBMFYSA-N 245.366 3.653 30 20 BHED C=C[C@@](C)(CC)C(=O)N1CCC(CC)(CC)C1 467974794 LWZCYILCKOVYDE-AWEZNQCLSA-N 237.387 3.627 30 20 BHED C=CCCCCNC(=O)C[C@@H]1CCC[C@H](C)C1 471700033 GMCGMLLXJFOFLP-UONOGXRCSA-N 237.387 3.675 30 20 BHED C=C(C)CN[C@@H](C)c1cc2cccc(F)c2o1 475711578 CICOUQQPROECOB-JTQLQIEISA-N 233.286 3.799 30 20 BHED C=C(C)CN(C)C(=O)CC1CCC(C)(C)CC1 479240667 HJXYEVSRZIRCPF-UHFFFAOYSA-N 237.387 3.627 30 20 BHED Cc1cc(CSCCC2CC2)ccc1C#N 485596111 SLDDMMQNIUSHAK-UHFFFAOYSA-N 231.364 3.900 30 20 BHED C=C[C@@H]1CCCCN1Cc1ccc(Cl)s1 489434812 IQXXDJQPPBTYRR-SNVBAGLBSA-N 241.787 3.942 30 20 BHED C=C(CC)CSCc1cccc(C#N)c1F 539248181 MSBIWSLBQSCLPH-UHFFFAOYSA-N 235.327 3.897 30 20 BHED CCCC[C@H](CC)CN(CCC#N)CC1CC1 546934540 ATLIBPPFGREBMH-AWEZNQCLSA-N 236.403 3.828 30 20 BHED CCCC[C@@H](C)N(C)CC(C)(C)CCC#N 580016701 WSIPPGUMMDLBBI-CYBMUJFWSA-N 224.392 3.827 30 20 BHED C[C@H](CCC#N)CN(C)[C@@H]1CCc2ccccc21 602437475 YQDZXXYDJVRYDE-CZUORRHYSA-N 242.366 3.546 30 20 BHED Cc1occc1S[C@@H](C#N)Cc1ccccc1 614086561 BLPCEJKCQLYMJW-CYBMUJFWSA-N 243.331 3.815 30 20 BHED C=CCCN[C@H]1CC[C@@](C)(c2ccccc2)C1 658113660 IETWNKYABZIROG-JKSUJKDBSA-N 229.367 3.663 30 20 BHED Cc1cc(Nc2ccc(C3CC3)cc2)c(C#N)cn1 690276295 ZTIPRJZYLAOGEE-UHFFFAOYSA-N 249.317 3.883 30 20 BHED CCON=C1CCSc2ccc(Cl)cc21 767463702 GACPFQCNMKIYFX-UHFFFAOYSA-N 241.743 3.576 30 20 BHED C#CCCCCCC(=O)Nc1cccc(Cl)c1 779702825 AKINIHZDVOCHTJ-UHFFFAOYSA-N 249.741 3.862 30 20 BHED Cc1ccc(F)c(C=NN[C@H]2CCCC2(C)C)c1 782286911 HLWXJGAGKBZKPA-AWEZNQCLSA-N 248.345 3.636 30 20 BHED CC[C@@H](C)NN=C1CCC(C)(C)C[C@H]1C 790191019 XPANBENAQHAPBI-GHMZBOCLSA-N 210.365 3.577 30 20 BHED C=CCCCCC[C@@H](C)NCCc1ccncc1 793531884 KVRRHGGQBNLACG-OAHLLOKOSA-N 246.398 3.739 30 20 BHED C#CC[C@@H](N[C@@H]1CCC12CCC2)c1ccccc1 800483137 ZQDXGSRXVUNEIO-HZPDHXFCSA-N 239.362 3.673 30 20 BHED C[C@@H]1CC[C@H](C=NNCCCc2ccccc2)C1 800812921 NRQVFESTADMUBZ-ZBFHGGJFSA-N 244.382 3.631 30 20 BHED N#Cc1cccc(SCC2(C#N)CCCC2)c1 806590962 USMDZOYBMIMMLM-UHFFFAOYSA-N 242.347 3.734 30 20 BHED CCOc1ccc(NN=C[C@@H]2CC=CCC2)cc1 814983739 OREWUVRNYOWCAZ-CYBMUJFWSA-N 244.338 3.839 30 20 BHED C=C(CC)CNC(=S)Nc1cc(C)cc(C)c1 840826749 UTEOPCYVUUIPJR-UHFFFAOYSA-N 248.395 3.556 30 20 BHED Cc1cc(C)c(CON=CC2CC2)c(C)c1 853734830 JEWGNIUOSKKQMI-UHFFFAOYSA-N 217.312 3.524 30 20 BHED N#CC1(CCCCSc2ncco2)CCC1 901545694 XUBPJSSUWKZJRE-UHFFFAOYSA-N 236.340 3.631 30 20 BHED C#C[C@@H](N[C@@H](C)Cc1ccccc1Cl)C(C)C 1327401927 DIQGMATZSOXRTA-SWLSCSKDSA-N 249.785 3.518 30 20 BHED CC(C)[C@@H](C)SCCc1ccc(C#N)cc1 1652689633 YULLUNLYQPCNFL-GFCCVEGCSA-N 233.380 3.878 30 20 BHED C=CCOc1ccccc1CN[C@@H](C)CCC 34991546 ZAMFVWJZZPVXHC-ZDUSSCGKSA-N 233.355 3.530 30 20 BHED O=C(/C=C/c1cccs1)c1ccccc1F 71779261 JXKNCBXAGNPJFZ-BQYQJAHWSA-N 232.279 3.783 30 20 BHED C=C(C)COCCN[C@@H](C)c1ccc(C)cc1C 90450706 XZZLXDGPVXKGFO-HNNXBMFYSA-N 247.382 3.547 30 20 BHED C=CCC[C@H](C)Nc1cc(F)cc(F)c1 96034354 NUWZETDFECTIQV-VIFPVBQESA-N 211.255 3.731 30 20 BHED C[C@@H](Sc1nccs1)c1ccc(C#N)cc1 118176034 XKNOZXCCSITSKY-SECBINFHSA-N 246.360 3.868 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1ccccc1OC(F)F 119332398 GEYRGLIKNKGGEB-ZJUUUORDSA-N 241.281 3.513 30 20 BHED N#Cc1ccccc1COc1ccc2[nH]ccc2c1 126507454 KTECTIXDXLUEFG-UHFFFAOYSA-N 248.285 3.619 30 20 BHED Cc1ccnc(N[C@H]2CCCCC2(C)C)c1C#N 135085280 GMGUDYGLPXALLL-ZDUSSCGKSA-N 243.354 3.642 30 20 BHED N#CCC1(CNc2c(F)cccc2Cl)CC1 160381120 LRIZYFGYZCPERP-UHFFFAOYSA-N 238.693 3.585 30 20 BHED C=C(Cl)CN[C@@H](C)c1ccc(C)c(C)c1 161742899 WHYWNVBIZJXIQT-LBPRGKRZSA-N 223.747 3.707 30 20 BHED CSc1ccc([C@H](C)NCCCCC#N)cc1 173382618 XVALSPGSKKXLEA-LBPRGKRZSA-N 248.395 3.753 30 20 BHED C[C@H]1CCC[C@H](C)C1NCc1cc(C#N)cs1 177691205 JPAJXTAFCFVNAU-QWRGUYRKSA-N 248.395 3.534 30 20 BHED CCN(CC(C)C)[C@@H](C)c1cccc(C#N)c1 189783012 IEESOYMXRURMJO-ZDUSSCGKSA-N 230.355 3.597 30 20 BHED CCCCCCCCCC[C@@H](C)NC(N)=O 225689139 BRYOYFKBLAASPH-GFCCVEGCSA-N 228.380 3.574 30 20 BHED CCCC[C@@H](NCCCC#N)c1ccccc1 273257419 MBFWUVZEJVPTGQ-OAHLLOKOSA-N 230.355 3.811 30 20 BHED C=CCC(C)(C)C(=O)N(C)c1ccc(C)cc1 292163260 FTAQBQIWPREUDO-UHFFFAOYSA-N 231.339 3.560 30 20 BHED C[C@H]1CCCC[C@@]1(C=O)C/C=C/Cl 306459260 DSMVETFFUQCFGV-CVNLZQRZSA-N 200.709 3.524 30 20 BHED C=CCSCCCCOC(C)(C)C 336644031 NHRCMZLFHJVMPN-UHFFFAOYSA-N 202.363 3.501 30 20 BHED CC(C)(C)CN(CCCC#N)c1ccccc1 361752694 YWJBUXCVZZTYKM-UHFFFAOYSA-N 230.355 3.843 30 20 BHED C=CC[C@H](CC)N[C@H](C)c1ccc(F)cc1 381312146 ANDNSUQUNXIBAZ-RISCZKNCSA-N 221.319 3.831 30 20 BHED CC[C@@H]1CCC[C@@H]1N[C@H](C)c1cccc(C#N)c1 388922745 SBQDHPNIKMBNHL-XPKDYRNWSA-N 242.366 3.788 30 20 BHED CCCN(CCC1(C#N)CCCCC1)C1CC1 411232512 ZVRUDPFKFDCDPD-UHFFFAOYSA-N 234.387 3.725 30 20 BHED CC(C)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)s1 421352614 RCMXCVNIYMPWHR-KBPBESRZSA-N 248.395 3.534 30 20 BHED CC#CCCOc1cnccc1-c1ccccc1 434733728 CRANRFPEGYROKT-UHFFFAOYSA-N 237.302 3.541 30 20 BHED CC(C)[C@@H]1CCC[C@@H]1Nc1cccc(CC#N)c1 449703310 UJUOBNUEAYKNOA-HOTGVXAUSA-N 242.366 3.989 30 20 BHED C=CCC[C@H](NCCC(=C)C)c1ccco1 453313215 HTFNFSJZZVTTSU-ZDUSSCGKSA-N 219.328 3.843 30 20 BHED C=CCC(C)(C)CNC1CC2(CCC2)C1 459589710 MKSNRIBWSTYQNF-UHFFFAOYSA-N 207.361 3.511 30 20 BHED C=CCCCCN[C@@H](C)c1ccc(C#N)c(F)c1 471604550 XQBHNBGNRMBPGU-LBPRGKRZSA-N 246.329 3.704 30 20 BHED C=C[C@@H]1CCCCN1Cc1ccc(SC)cc1 489506465 HDVWWKHNYKSWRR-CQSZACIVSA-N 247.407 3.949 30 20 BHED C=CCCCN1CCCC12CCCCC2 535380653 ABBVGNAWWNTPEP-UHFFFAOYSA-N 207.361 3.751 30 20 BHED CCCC[C@H](NCCC(C)(C)C#N)C1CCC1 541594047 NDNYYKYCJKCEHV-AWEZNQCLSA-N 236.403 3.875 30 20 BHED C=C(CC)CN1CC[C@H]1c1ccc(F)cc1 661514130 PXBXXAXYRIXRQN-AWEZNQCLSA-N 219.303 3.539 30 20 BHED C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ccsc1 669861461 IBHCYUFUXDEUTL-GWCFXTLKSA-N 237.368 3.528 30 20 BHED C=CC[C@H](C)NC(=S)Nc1cccc(CC)c1 734988043 VEESDOWLLGCHDT-NSHDSACASA-N 248.395 3.500 30 20 BHED CC(=NOCC(C)C)c1cc2ccccc2o1 754279874 RDFDEOUFSNCAFI-UHFFFAOYSA-N 231.295 3.829 30 20 BHED Fc1cc(F)cc(C=NOCc2ccccc2)c1 755632094 MFIISGQVQDPMSZ-UHFFFAOYSA-N 247.244 3.516 30 20 BHED CC[C@@H]1CCCC1=NNc1ncccc1Cl 758371333 AKMFAJMUFMJCMJ-SECBINFHSA-N 237.734 3.713 30 20 BHED C#CCCCN1C[C@H](c2ccccc2C)C[C@H]1C 766903376 RMMJABCGCZUDBI-HZPDHXFCSA-N 241.378 3.586 30 20 BHED COCC(=NNc1ccc(C)cc1)C1CCCC1 780186261 FZCXYHKZSQHMGV-UHFFFAOYSA-N 246.354 3.600 30 20 BHED C[C@H]1CCCC[C@@H]1C=NOC1CCCC1 783860104 VILSXUOVXGTDBZ-NWDGAFQWSA-N 209.333 3.758 30 20 BHED Cc1ccc(NN=C2CCC[C@@H]2CCF)cc1 794854550 HRTHKXLMJJEXBY-GFCCVEGCSA-N 234.318 3.923 30 20 BHED C(=NOC/C=C\c1ccccc1)c1cccs1 851978078 HFGSNEHOQDMMMS-XHZHXWMXSA-N 243.331 3.812 30 20 BHED CCC(C=NNc1ccnc(Cl)c1)CC 853394739 XZQFENFFAALTTK-UHFFFAOYSA-N 225.723 3.569 30 20 BHED C=C1CCC(C(=O)N2CCCCCCC2)CC1 887627898 DAJWBGYCXNIPKW-UHFFFAOYSA-N 235.371 3.526 30 20 BHED CC(C)(C)[C@@H](NCC1CCC(C#N)CC1)C1CC1 926355071 BRYYLURPGZFTGK-PIMMBPRGSA-N 248.414 3.731 30 20 BHED N#Cc1ccc(F)c(CSCc2ccco2)c1 34938006 XSUWFIMQLUPEME-UHFFFAOYSA-N 247.294 3.724 30 20 BHED C=C(C)COCCN[C@@H](c1ccccc1)C(C)C 91397695 QWPWHSHRCMNVOA-MRXNPFEDSA-N 247.382 3.566 30 20 BHED C=CCC[C@H](C)NCc1ccc(C)s1 126764426 VDLSMGRAUXGZRH-JTQLQIEISA-N 209.358 3.501 30 20 BHED C=C(C)CN[C@@H](C)c1cccc(C(F)(F)F)c1 126948930 LQNVCMMAKMLKEA-JTQLQIEISA-N 243.272 3.932 30 20 BHED C=C[C@H](C)N[C@H](C)c1cc(C)c(C)cc1C 157297739 SLMXXWZSKJMELZ-UONOGXRCSA-N 217.356 3.837 30 20 BHED C[C@@H](c1cccc(C#N)c1)N1CCCC[C@@H](C)C1 190037875 RYIMPDUYAWMAPC-KGLIPLIRSA-N 242.366 3.741 30 20 BHED CC(C)(C#N)CCCN1CCC[C@@H]2CCC[C@H]21 228012423 QELAWQNTRCQUDH-UONOGXRCSA-N 234.387 3.581 30 20 BHED C=CCCCSCC(=O)Nc1ccccc1C 265380003 FNTIEBUZZNCOOS-UHFFFAOYSA-N 249.379 3.633 30 20 BHED CC(C)(CNc1ccc(C#N)cn1)C1CCCC1 301761362 CUALQOMCEVINHD-UHFFFAOYSA-N 243.354 3.582 30 20 BHED C=CCCC[C@H](C)N[C@H]1CC[C@@H]1C1CC1 308876521 SJGATCXCOKRCFL-YUTCNCBUSA-N 207.361 3.509 30 20 BHED C=CCCCC[C@H](C)N[C@H]1CCC[C@@H]1C 309019859 WJNNTHHYVPIXLM-IHRRRGAJSA-N 209.377 3.900 30 20 BHED C#CCCCNC(C)(C)c1cccc(Cl)c1 309525643 BBIQWORXRGZECD-UHFFFAOYSA-N 235.758 3.578 30 20 BHED CC1(C)CC[C@@H](NC2CCC(C)(C#N)CC2)C1 334651056 FWQQUFNYNOCUAJ-JVWICGRDSA-N 234.387 3.627 30 20 BHED CC[C@](C)(C#N)c1nc([C@H]2CCC[C@@H](C)C2)no1 346253055 MTLKADHBJLJOSS-UHIISALHSA-N 247.342 3.555 30 20 BHED CC(C)C[C@@H](C)CSCC1(C#N)CC1 358485799 VRAGFHNWDVWMDG-LLVKDONJSA-N 211.374 3.706 30 20 BHED C#C[C@@](C)(CC)NCc1ccc(C(F)F)cc1 384138896 CUALGKATEMPAJQ-AWEZNQCLSA-N 237.293 3.516 30 20 BHED C=CC(C)(C)CNC(=O)[C@H]1CCCC[C@@H]1CC 452776947 SYOAGXBXJWEPLH-STQMWFEESA-N 237.387 3.531 30 20 BHED C=CCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 511838742 QIZQFOMUJQSKJR-GVDBMIGSSA-N 241.378 3.831 30 20 BHED C=CCCN1C[C@H](C)C[C@H]1c1ccccc1 513241941 NMIBMPONMJUXGB-HIFRSBDPSA-N 215.340 3.646 30 20 BHED C=CC[C@H](CC)NC(=O)C[C@H]1CCCC[C@H]1C 517753852 MOBPAMZDSRQACE-MCIONIFRSA-N 237.387 3.674 30 20 BHED C[C@H]1CCCC[C@H]1N(C)Cc1ccc(C#N)s1 520423905 PLLGGWKDIWGWOK-SMDDNHRTSA-N 248.395 3.630 30 20 BHED C=CCCN(C)[C@@H](C)c1ccc(C)cc1C 525329301 VDNBOTLFIHHTJZ-AWEZNQCLSA-N 217.356 3.872 30 20 BHED CC#CCN1CCCC[C@@H]1c1ccc(C)cc1 525641204 ZXAXYIPMTMOBON-MRXNPFEDSA-N 227.351 3.545 30 20 BHED C=C(CC)CN[C@@H](c1ncccc1C)C(C)C 536906964 YVJGINOUYRNFDY-CQSZACIVSA-N 232.371 3.643 30 20 BHED C=C(CC)CN1CCc2cccc(F)c2[C@@H]1C 538002737 QTCDOCHIGYLPPK-LBPRGKRZSA-N 233.330 3.711 30 20 BHED C=CCCOc1cnc2ccc(Cl)cc2c1 559944926 QPQPXTIEFNHWMX-UHFFFAOYSA-N 233.698 3.843 30 20 BHED C=CCCCCCN(C)CCc1cccs1 562040419 MQKWSMOMDCDQLI-UHFFFAOYSA-N 237.412 3.969 30 20 BHED C=CCCCN1CC[C@@H](Cc2ccc(F)cc2)C1 573553099 SQKUZTPHENHAKF-HNNXBMFYSA-N 247.357 3.656 30 20 BHED C=C[C@](C)(CC)C(=O)N1C[C@H](CC)CC[C@H]1C 619135226 LMIYDPFAVYRCIZ-UMVBOHGHSA-N 237.387 3.626 30 20 BHED CCCCCCCC(=O)OCc1cscn1 728328308 RLCFNSJQDRPVFP-UHFFFAOYSA-N 241.356 3.547 30 20 BHED C=CC[C@@H](C)NC(=O)Nc1ccc(CCC)cc1 735171179 WKIKVWFVUXUPAA-GFCCVEGCSA-N 246.354 3.725 30 20 BHED CC(CCC(C)C)=NNc1cc(C)ccn1 755902418 LQRAJFCVBXNUGE-UHFFFAOYSA-N 219.332 3.614 30 20 BHED Cc1ccc(/C=C/C(=O)c2ccccc2O)s1 757475258 RDBYLGPKYFYETB-CMDGGOBGSA-N 244.315 3.658 30 20 BHED CC(C[C@H](C)CC(C)C)=NOCC(F)F 758899216 HPEUWDMBWLQOTP-SECBINFHSA-N 221.291 3.716 30 20 BHED C=CCC[C@H](CCC)NCc1ccc(C#N)cc1 765013307 HATFDIXVVUNWIV-INIZCTEOSA-N 242.366 3.783 30 20 BHED CC[C@H]1CCCCC1=NOC1CCCC1 779784294 KRERMRGCYJJNBM-NSHDSACASA-N 209.333 3.902 30 20 BHED COc1ccc(NN=C(C)CCC=C(C)C)nc1 780269059 PFXZMZCHNBNJET-UHFFFAOYSA-N 247.342 3.624 30 20 BHED C=CCCCCC[C@@H](C)NC[C@@H]1CCCCO1 793522440 BOFDKGWNCBFVPD-CABCVRRESA-N 239.403 3.670 30 20 BHED C=C(C)CCc1noc(CCCCCC)n1 795770471 ZDITWHMVLDVVDE-UHFFFAOYSA-N 222.332 3.701 30 20 BHED Fc1ccc(NN=C2CCC23CCC3)cc1 799865716 VRAFEICUKCHQNU-UHFFFAOYSA-N 218.275 3.558 30 20 BHED CC(C)[C@H]1CC(=NNc2ccccc2)CS1 814684202 HQRSPFLIEDKHAS-CYBMUJFWSA-N 234.368 3.616 30 20 BHED C=CCCCCC[C@@H](C)NCc1ccn(CC)n1 840840268 BWDRAJHMFZHREE-CQSZACIVSA-N 249.402 3.518 30 20 BHED Cc1ccc(NN=C2CCCCC[C@H]2C)nc1 844583464 XZJKMCFUPPIOOT-GFCCVEGCSA-N 231.343 3.758 30 20 BHED C=CCCCCNC(=N)Nc1ccc(C)c(C)c1 849019723 FRLXNFPFYHOCBC-UHFFFAOYSA-N 245.370 3.596 30 20 BHED C=CC[C@H]1CCCCC1=NOCCOC(C)C 853348164 BUJNCFUIQALIMT-ZDUSSCGKSA-N 239.359 3.550 30 20 BHED CCC(C=NNc1ncnc2sccc12)CC 916368744 ZBOZMYYCVHVJQO-UHFFFAOYSA-N 248.355 3.525 30 20 BHED C[C@@H](NN=Cc1cccc(F)c1)c1ccccc1 920386397 ZFPFWAMHJRBASO-GFCCVEGCSA-N 242.297 3.510 30 20 BHED C=C(C)CCC(=O)Nc1cc(C)c(O)c(C)c1C 1336441427 BWIUGVGLWGYHCR-UHFFFAOYSA-N 247.338 3.612 30 20 BHED C=C(C)CCC(=O)N(C)C[C@@H](C)c1ccccc1 1336953693 ICVOMOIEJYWHSB-CQSZACIVSA-N 245.366 3.605 30 20 BHED CC[C@@H](CC#N)N[C@H](C)c1cc2ccccc2o1 54182596 WTTQCYZLKFGNLS-YPMHNXCESA-N 242.322 3.776 30 20 BHED C=C(C)CN(CC)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 55293980 QXZFEJIGWREXRA-KGLIPLIRSA-N 249.398 3.649 30 20 BHED C=CCC1(C(=O)O)CCC(C(C)(C)C)CC1 86336662 KGWWEOKNBFLZCB-UHFFFAOYSA-N 224.344 3.870 30 20 BHED CCCCCCCCCS[C@@H](C)CO 125142396 ADNVRUPBZWEKOD-LBPRGKRZSA-N 218.406 3.851 30 20 BHED CCN(CC=C(C)C)[C@@H](C)c1ccc(C#N)cc1 125763815 SDTKBGVRAMNSQK-AWEZNQCLSA-N 242.366 3.907 30 20 BHED COCc1cccc(NCC(C)(C)CCC#N)c1 135158683 ZWLJGHBYCFIALA-UHFFFAOYSA-N 246.354 3.575 30 20 BHED CCC(CC)CC(=O)Nc1cccc(C#N)c1C 178378972 JWUINPDJBUBLPA-UHFFFAOYSA-N 244.338 3.632 30 20 BHED CCCCN(CC)CCCCC(C)(C)C#N 232952390 DZHQFMCVWXJMMW-UHFFFAOYSA-N 224.392 3.828 30 20 BHED CS[C@@H]1CCC[C@@H](Nc2cccc(C#N)c2)C1 235189440 ZBGUQFMPSOQPAP-ZIAGYGMSSA-N 246.379 3.644 30 20 BHED C=C(CC)CN[C@@H](C)[C@H](C)c1ccccc1 309777109 LXONRYXHZZMULG-KBPBESRZSA-N 217.356 3.734 30 20 BHED CCC[C@@H]1CCCC[C@@H]1NCCCCC#N 310012990 JKJZGARJKAZFGL-KGLIPLIRSA-N 222.376 3.629 30 20 BHED CC(C)(CCNc1cccc(F)c1C#N)C1CC1 328483736 LJKCSKUPKHVFAH-UHFFFAOYSA-N 246.329 3.936 30 20 BHED C=CCC[C@@H](C)NCC1(C)CCC(OC)CC1 355108637 DPOCTLMROGHFSY-WLYUNCDWSA-N 239.403 3.526 30 20 BHED C#CCCCNc1c(F)cccc1SCC 381434129 CFRNWTNEZAJMFO-UHFFFAOYSA-N 237.343 3.763 30 20 BHED CN(CCC1(C#N)CCCCC1)Cc1ccco1 411130856 HESTVANKNRIRPC-UHFFFAOYSA-N 246.354 3.576 30 20 BHED C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 425411164 YBOVSRHAMRPXBW-KBPBESRZSA-N 249.398 3.770 30 20 BHED N#CC1(CN2CCC=Cc3ccccc32)CCC1 450822424 AOIUQPRVMVACJB-UHFFFAOYSA-N 238.334 3.604 30 20 BHED C=CCCC1(C(=O)N[C@@H](C)C[C@H](C)CC)CC1 476101538 APUJXOSOQHCZNT-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C=C(C)CSCCCc1cccc(OC)c1 477026596 WGGSWKLOGXYBCF-UHFFFAOYSA-N 236.380 3.937 30 20 BHED C=CCCCC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 479517611 PNLGHAVHBDJDDL-RBSFLKMASA-N 249.398 3.818 30 20 BHED C=CCCCC(=O)N[C@H]1CCC(C)(C)C[C@H]1C 482272991 VKSBEZMQHPGZHR-OLZOCXBDSA-N 237.387 3.674 30 20 BHED C=CCCN(Cc1ccccc1)[C@@H](C)C1CC1 524811622 FAEDAKSONJWZHB-AWEZNQCLSA-N 229.367 3.863 30 20 BHED C=CCCC[C@@H](C)NC(=O)c1occc1C(C)C 559619970 OKWICTZNNGRFDO-GFCCVEGCSA-N 249.354 3.878 30 20 BHED N#Cc1c(F)cccc1SCC1CCC1 584361900 HGFBHVYWEZWAEY-UHFFFAOYSA-N 221.300 3.590 30 20 BHED C[C@H](c1cccc(F)c1)N1CCC[C@H](CC#N)C1 595613348 BMDJCVDJTLAIPC-CHWSQXEVSA-N 246.329 3.512 30 20 BHED CSCc1cccc(NC[C@H](C)CCC#N)c1 602496146 PGWJJARZABFENS-GFCCVEGCSA-N 248.395 3.901 30 20 BHED C=CCCCN1CC[C@@H](c2ccccc2C)C1 605150363 OJYZRUPVVHCTKT-OAHLLOKOSA-N 229.367 3.751 30 20 BHED Cc1cccc([C@@H](C)N2CCC[C@@](C)(C#N)C2)c1 612161809 AJMSVJQFFJPYKA-ZBFHGGJFSA-N 242.366 3.682 30 20 BHED C[C@]1(C#N)CCCN(CC2CCCCCC2)C1 612405975 FSKPFMFUXDVKKU-OAHLLOKOSA-N 234.387 3.582 30 20 BHED C=CCCC(=O)N1CCC(C)(C)CC(C)(C)C1 618280236 HNHLSIXCKMBBGU-UHFFFAOYSA-N 237.387 3.627 30 20 BHED C=CCCC(=O)O[C@@H](C)CCc1ccccc1 726656597 VYUVYPOZVVYUHS-ZDUSSCGKSA-N 232.323 3.517 30 20 BHED CC1=CC(=NNc2ccc(F)cn2)CC(C)(C)C1 731321867 SNMHKAGHCLNWKJ-UHFFFAOYSA-N 247.317 3.755 30 20 BHED Cc1ccoc1C=NNc1cccc(Cl)c1 743420967 UABLRQIFGDIGEU-UHFFFAOYSA-N 234.686 3.687 30 20 BHED C[C@@H]1CCC[C@@H](CCON=C2CCC2)C1 756875326 WRGJDNPUTTWCBF-NEPJUHHUSA-N 209.333 3.759 30 20 BHED CCCCCCC[S@@](=O)CCC(C)C 764559514 SGZLLFICGCUEKG-CQSZACIVSA-N 218.406 3.752 30 20 BHED C=C(C)CCn1nc(Cl)c2ccccc21 775213581 ZOCHZCLYSRKFJT-UHFFFAOYSA-N 220.703 3.656 30 20 BHED C#CCCN[C@H](c1ccccc1F)C1CCCC1 775540187 QWDLBCDUOGUJPO-INIZCTEOSA-N 245.341 3.670 30 20 BHED C#CCCCN1C[C@@H](c2ccc(C)cc2)C[C@@H]1C 786124933 KBAXNBDQIKTILL-RDJZCZTQSA-N 241.378 3.586 30 20 BHED CC1=CCC[C@H](C)[C@@H]1C=NNc1ncccc1C 790188426 YUZLRJLXQDZKAC-GXTWGEPZSA-N 243.354 3.780 30 20 BHED CC[C@@H]1CCCC1=NN[C@H](C)C(C)(C)C 793112053 ODCGUMOTOKHIHE-GHMZBOCLSA-N 210.365 3.577 30 20 BHED CC(=NN[C@H](C)C(C)(C)C)c1ccccc1F 793113771 CLKQVBDMEVUKSW-LLVKDONJSA-N 236.334 3.574 30 20 BHED CC[C@H]1CC[C@@H](C)CC1=NNC1CCCC1 797402450 BUOBSQRLNUVVSA-NEPJUHHUSA-N 222.376 3.721 30 20 BHED C=CCOC(=O)[C@@H](c1ccccc1)[C@H](C)CC 807314843 FCGMBDIDJXBVNC-TZMCWYRMSA-N 232.323 3.546 30 20 BHED CC(F)(F)CC/N=C\c1cc(Cl)ccc1O 840705839 FWFGUECCLKPAEF-CHHVJCJISA-N 247.672 3.510 30 20 BHED CC(CCCCC#N)=NNc1ccc(F)cc1 841605618 QKNVTLIDHBLFNM-UHFFFAOYSA-N 233.290 3.697 30 20 BHED N#C[C@@H](Sc1nc2ccccc2s1)C1CC1 865341819 ZZTCJQLWCIMEHS-LLVKDONJSA-N 246.360 3.691 30 20 BHED CCCCCCC[C@@H](C)CNC(=O)CC 917872702 OOWUJOORDSIRNJ-GFCCVEGCSA-N 213.365 3.509 30 20 BHED CC[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 1307515389 MOBFADBLOGUQAJ-OAHLLOKOSA-N 248.414 3.973 30 20 BHED CCCCCCCCCC(=O)NC(C)(C)CF 1331607347 BDJNRRFCWYHESF-UHFFFAOYSA-N 245.382 3.991 30 20 BHED C=C(C)CCC(=O)N1CCC[C@@H]1C1CCCCC1 1337025135 ANZMFVPSMWGWDC-OAHLLOKOSA-N 249.398 3.914 30 20 BHED Cc1ccc2c(c1)N(C[C@@H](C)CCC#N)CCC2 1658803710 XUVHUZHAMLQMTA-AWEZNQCLSA-N 242.366 3.688 30 20 BHED C[C@@H]1CCC[C@@H](Nc2cccc(F)c2C#N)C1 35237046 CQPCORDZCXSWJQ-GHMZBOCLSA-N 232.302 3.688 30 20 BHED C[C@H]1CCCC[C@@H]1CNc1ccc(C#N)cc1 42804694 ZBPMRMRKRLWUQP-GXTWGEPZSA-N 228.339 3.796 30 20 BHED C#CCCCCN[C@H](C)c1ccc(OCC)cc1 90398337 YCPLSUXLYBISRU-CQSZACIVSA-N 245.366 3.539 30 20 BHED N#Cc1c(F)cccc1OCC1CCCCC1 93406812 NWAVDNGMZKFKHB-UHFFFAOYSA-N 233.286 3.656 30 20 BHED N#Cc1cccc(C(=O)/C=C\c2cccs2)c1 97152381 IQKOTBXQWBOWPI-SREVYHEPSA-N 239.299 3.516 30 20 BHED C=CCCC(=O)Oc1cc(Cl)ccc1Cl 102216354 QKDKALHNLVQFQQ-UHFFFAOYSA-N 245.105 3.865 30 20 BHED CCN(Cc1ccc(F)cc1C#N)[C@@H](C)C(C)C 103227114 XNPXPVCRWMXFMR-LBPRGKRZSA-N 248.345 3.564 30 20 BHED C=C(Cl)CN[C@H]1CCCC[C@@H]1C(C)C 126068855 BJVOKOFSRMDBNH-NEPJUHHUSA-N 215.768 3.543 30 20 BHED CC[C@H](C)[C@@H](C)Nc1c(F)cc(C#N)cc1F 133597945 OPLDNPLYPZWNNF-DTWKUNHWSA-N 238.281 3.683 30 20 BHED C=C(C)CN[C@@H]1CCCC[C@H]1C(C)(C)C 160633945 BZXSEIXRMRLHJY-CHWSQXEVSA-N 209.377 3.757 30 20 BHED CC(C)CC(CC(C)C)NCC(C)(C)C#N 164957025 PSLFZDAKXJGZCZ-UHFFFAOYSA-N 224.392 3.587 30 20 BHED C#CCCCN[C@@H]1CCCC[C@H]1C(C)(C)C 224307652 OYEZOVSDZWTDPC-ZIAGYGMSSA-N 221.388 3.594 30 20 BHED C=CCCNc1cc(F)ccc1Br 229543073 MZQYGKAFECCXCM-UHFFFAOYSA-N 244.107 3.576 30 20 BHED C=CC[C@H]1N(Cc2ncc(C)o2)CCCC1(C)C 277643556 CGGZSLUVQKSVBU-CYBMUJFWSA-N 248.370 3.550 30 20 BHED Cc1ccccc1[C@H](NCCC#N)C(C)(C)C 299082482 UFDCASSEWZTDQX-AWEZNQCLSA-N 230.355 3.586 30 20 BHED Cc1cc(C#N)cc(N[C@H]2CCC(C)(C)C2)c1 308112325 ZIQVEZNQMBVMKA-ZDUSSCGKSA-N 228.339 3.857 30 20 BHED CCCCCCCCNC1(C2CC2)CC1 308911090 DTRQGZWGSJQGJE-UHFFFAOYSA-N 209.377 3.879 30 20 BHED C=CCC(C)(C)CN[C@@H]1CCCc2occc21 336660116 RDKHFVMWNGWYDI-CYBMUJFWSA-N 233.355 3.849 30 20 BHED C=CC[C@H](CC)N[C@@H]1CCCc2ccc(O)cc21 340542189 MTAQGARYWDYAOD-XJKSGUPXSA-N 245.366 3.714 30 20 BHED C=CCC[C@H](N[C@H]1CCC1(C)C)C1CC1 380117014 PRQYZJXCHXHSKY-STQMWFEESA-N 207.361 3.509 30 20 BHED C=CCC[C@H](CCC)N[C@H]1CCC1(C)C 380356875 WZSYRXDMUUIALS-STQMWFEESA-N 209.377 3.900 30 20 BHED C=CCCCCCCNCc1csc(C)n1 380593024 SQYJQKVDTUQPRW-UHFFFAOYSA-N 238.400 3.678 30 20 BHED N#CC1(COc2ccc3ccccc3c2)CCC1 418788113 JTZHVSDLQLJCRC-UHFFFAOYSA-N 237.302 3.912 30 20 BHED C[C@H]1CC[C@@H](SCCC(C)(C)C#N)C1 419475654 NHWSHBWDSXKYTK-WDEREUQCSA-N 211.374 3.848 30 20 BHED CCC1(C)CCC(NCC2(CC#N)CC2)CC1 430753076 JEXAONIEWNSUMN-UHFFFAOYSA-N 234.387 3.629 30 20 BHED CCCc1ccccc1N[C@@H]1CC[C@@H](C#N)C1 442867083 NRPJYDCTCBBVAL-TZMCWYRMSA-N 228.339 3.743 30 20 BHED C=CCCC[C@H](C)N[C@@H](CC)c1ccncc1 453185115 XISFZWBERSOTSW-ZFWWWQNUSA-N 232.371 3.867 30 20 BHED C=CC(C)(C)CN[C@H](C)CCCc1cccnc1 453305950 IIGMOSIVHRORAD-CQSZACIVSA-N 246.398 3.595 30 20 BHED C=C[C@H](C)NC(=O)[C@H](CC(C)C)c1ccccc1 465118870 GDXBMNZYVUNOFQ-DZGCQCFKSA-N 245.366 3.507 30 20 BHED CC[C@H](C#N)Sc1cc(Cl)ccc1F 506404617 QQBSSZKKMBIEIF-MRVPVSSYSA-N 229.707 3.873 30 20 BHED C=CCC[C@H](NCCC(F)(F)F)c1ccco1 552243747 ITJWVSNVRWHMFY-JTQLQIEISA-N 247.260 3.829 30 20 BHED Cc1cccc(N=Cc2ccccc2O)c1F 588384614 PADHLYLTURZZGN-UHFFFAOYSA-N 229.254 3.590 30 20 BHED CC(C)(C#N)Cc1cccc(-c2cccnc2)c1 592988153 GTBZPZDSEMLPIJ-UHFFFAOYSA-N 236.318 3.841 30 20 BHED C=CCCSCCN[C@H](C)c1cccs1 595058733 KHRBSGZERFKSMQ-LLVKDONJSA-N 241.425 3.708 30 20 BHED CC[C@H](C)CN(CC)[C@@H](C#N)c1ccccc1 595343841 FLMBPCHQGCYNNL-ZFWWWQNUSA-N 230.355 3.619 30 20 BHED CC(C)c1cccc([C@@H](C)NCCCC#N)c1 599045907 UBBJOEGRZQZWSR-CYBMUJFWSA-N 230.355 3.764 30 20 BHED Cc1cc(S[C@H]2CCO[C@H](C)C2)ccc1C#N 600562778 RRQSYYCAZRXWNV-RISCZKNCSA-N 247.363 3.526 30 20 BHED C=CCCN(C)[C@@H](CC)c1ccc(F)cc1 606897028 HBQNXUNRYGJIPU-AWEZNQCLSA-N 221.319 3.785 30 20 BHED COCC[C@@H](C)SCc1ccc(C#N)cc1C 614394774 QSZHOAVPADRYQT-GFCCVEGCSA-N 249.379 3.525 30 20 BHED C=CCCC(C)(C)NC(=O)CCC1CCCC1 620863863 FVSXQNDGLRNDJC-UHFFFAOYSA-N 237.387 3.818 30 20 BHED C=C1CCN(C(=O)CCCC[C@H](C)CC)CC1 680194619 DVWYZCPSADNMIG-CYBMUJFWSA-N 237.387 3.772 30 20 BHED CC(C)=C(C)C(=O)O[C@H](C)c1ccc(C#N)cc1 757390009 SYECXQBOSRZDQZ-GFCCVEGCSA-N 243.306 3.519 30 20 BHED C#CCCCN(Cc1ccc(CC)cc1)C1CC1 766896250 YQETYUGZUILQIY-UHFFFAOYSA-N 241.378 3.627 30 20 BHED CC(C)(C)c1ccc(NN=Cc2ccc[nH]2)cc1 779825197 OAEPSUVMWXXEJV-UHFFFAOYSA-N 241.338 3.758 30 20 BHED CCCCCCCCCC(=O)N1CC(C)(C)C1 790234059 FAURUFRRURMYNG-UHFFFAOYSA-N 239.403 3.996 30 20 BHED C=CCCC(CCC)=NNCC1CCCC1 814932659 NPBVSYFLTHQSTD-UHFFFAOYSA-N 222.376 3.889 30 20 BHED CCC#C[C@H](C)SC1=Nc2ccccc2C1 840197283 STRWGQQFVOPDTF-NSHDSACASA-N 229.348 3.808 30 20 BHED C=CCON=C[C@@H]1CCC[C@@H](C(F)(F)F)C1 853354913 BLZVMIIVKAWJGW-NXEZZACHSA-N 235.249 3.544 30 20 BHED C[C@H]1CCCC(=NN[C@@H](C)c2ccccc2)C1 920385982 MKHCEVVERSNXDK-STQMWFEESA-N 230.355 3.903 30 20 BHED N#CCC1(CN(CC2CCCCC2)C2CC2)CC1 1307422042 FXLIIIYSISNPOE-UHFFFAOYSA-N 246.398 3.725 30 20 BHED Oc1ccc(Cl)cc1/C=N/C1CCCCC1 524622 GJFRLXUGHWKJMG-OQLLNIDSSA-N 237.730 3.797 30 20 BHED CC[C@@H]1CCCCN1c1ccc(C#N)c(Cl)c1 35898608 UARPMQAFYIRPHK-GFCCVEGCSA-N 248.757 3.981 30 20 BHED C=C(C)CNc1ccc(Br)c(C)c1 49136551 XFFASMIFJAAARL-UHFFFAOYSA-N 240.144 3.746 30 20 BHED N#Cc1cc(Cl)ccc1N[C@H]1CC=CCC1 80119860 YMYVYWILUXBMLP-LBPRGKRZSA-N 232.714 3.732 30 20 BHED Cc1cc(NCC(C)(C)CCC#N)ccc1F 89792209 QKTNBRBXJBHJGF-UHFFFAOYSA-N 234.318 3.876 30 20 BHED CC[C@H](CC#N)N[C@H]1CCc2cc(Cl)ccc21 127463926 LQFMMTMWZAZTMS-OCCSQVGLSA-N 248.757 3.609 30 20 BHED C=C[C@@H](C)NC(=O)Nc1cccc2ccccc12 150833367 HCINRJCOVXTWQN-LLVKDONJSA-N 240.306 3.536 30 20 BHED C#CCCCSCc1cccc(C)c1 161060484 MOVQMGVCXUZZAR-UHFFFAOYSA-N 204.338 3.642 30 20 BHED C#CCCCN[C@@H](C)CC(C)(C)c1ccccc1 181832350 OLCLCXRDNUAPPI-HNNXBMFYSA-N 243.394 3.746 30 20 BHED CC(C)CC(C)(C)CN[C@@H]1CCC[C@H](C#N)C1 185853579 IVLYCVAFRNWFAP-UONOGXRCSA-N 236.403 3.731 30 20 BHED CCSc1cccc(CN(C)[C@@H](C)CC#N)c1 186214435 ATADYFOCBSXUEN-LBPRGKRZSA-N 248.395 3.533 30 20 BHED CC[C@H](C)CN(CC)Cc1cc(F)ccc1C#N 229959931 FLVLMWCMSDRFSH-LBPRGKRZSA-N 248.345 3.565 30 20 BHED CCCC[C@H](C)C(=O)Nc1cc(C#N)ccc1C 282246236 SWOJUUKEGWNOKR-LBPRGKRZSA-N 244.338 3.632 30 20 BHED C=CCCC(=O)N[C@H](C)c1cccc(C2CC2)c1 295437673 FEGUPTHBOIEARZ-GFCCVEGCSA-N 243.350 3.707 30 20 BHED C=C(C)CN(CC)C(=O)[C@@H](CC)CCCC 302223057 QSZZAARBRFXGKI-ZDUSSCGKSA-N 225.376 3.627 30 20 BHED C=CCN[C@@H](c1ccccc1)C1CCCC1 309407422 XKXXEEPMTUOTRU-HNNXBMFYSA-N 215.340 3.694 30 20 BHED C=CCCC[C@@H](C)N[C@@H](C)c1csc(C)n1 336739237 LBSCGFMHHGSMSM-MNOVXSKESA-N 238.400 3.847 30 20 BHED C[C@H]1CCC[C@H]1NCCC1(C#N)CCCCC1 411649432 PSLLHDOOMZTOCB-UONOGXRCSA-N 234.387 3.629 30 20 BHED C=C[C@@H]1CCCCN1CCC1(C#N)CCCCC1 411655352 JXKGEKREBPNVLF-OAHLLOKOSA-N 246.398 3.891 30 20 BHED CCc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 424316744 BHUGOTIGLGWJCK-IVMMDQJWSA-N 242.366 3.592 30 20 BHED CCCC1CCC(CNCC2(CC#N)CC2)CC1 430064320 ZLYZUNUKLGIIMA-UHFFFAOYSA-N 248.414 3.876 30 20 BHED C=CCC(CC=C)C(=O)N[C@H](CCC)C1CCC1 458320694 DOJBAVZZKSTFTO-OAHLLOKOSA-N 249.398 3.840 30 20 BHED CC(C)(C#N)CCOc1cc(F)cc(Cl)c1 530118334 AWOJNFUOBGGYNR-UHFFFAOYSA-N 241.693 3.798 30 20 BHED C=CCC[C@@H](Nc1cc(OC)ccc1F)C1CC1 538548710 QAMVCAFTFIXQOX-CQSZACIVSA-N 249.329 3.991 30 20 BHED C=CCC[C@@H](C)NC1CC(c2ccccc2)C1 547395908 SSJLQDQESSZCAB-IUDNXUCKSA-N 229.367 3.877 30 20 BHED C=CCN(CCCCCF)Cc1ccccc1 551376788 GOXKVAMHUVSHOT-UHFFFAOYSA-N 235.346 3.814 30 20 BHED CCCCCCCON=C1CCCOCC1 588398222 SWTSFVIPKBQXAC-UHFFFAOYSA-N 227.348 3.530 30 20 BHED C=CCCCN1CC[C@H](C)[C@H]2CCCC[C@@H]21 605150911 BGSYDHLOFYNZDZ-ZNMIVQPWSA-N 221.388 3.853 30 20 BHED C=C(C)COc1ccc(Cl)cc1C(=O)CC 642117306 AWYHQDFKGIQSLZ-UHFFFAOYSA-N 238.714 3.888 30 20 BHED C=CCC(C)(C)CNC(=O)[C@H](C)C1CCCC1 644961236 DTDADYHNYBNLHX-GFCCVEGCSA-N 237.387 3.531 30 20 BHED C=CCC1(C(=O)NC2CC3(CCC3)C2)CCCC1 652968608 XPJBDKJWGOAUJB-UHFFFAOYSA-N 247.382 3.572 30 20 BHED C=CCN(CC=C)C(=O)CCCC[C@@H](C)CC 680021576 REJRXAVHPDKAGV-AWEZNQCLSA-N 237.387 3.794 30 20 BHED CCC1(CC)CCCN(CC2(CC#N)CC2)C1 690547907 LJJNTSFINHHJHU-UHFFFAOYSA-N 234.387 3.582 30 20 BHED C#C[C@H](NC(=O)C1CCCCCCC1)C(C)(C)C 702236753 SGQJCFFTXVWFLI-AWEZNQCLSA-N 249.398 3.511 30 20 BHED C=CCCCOC(=O)[C@H](CC)c1ccccc1 735523108 FHESLDFFAPCMGW-CQSZACIVSA-N 232.323 3.690 30 20 BHED CCCNN=C1C[C@@H](C)C[C@H](c2ccccc2)C1 749859543 WFQHUPLHMQLVGC-ZFWWWQNUSA-N 244.382 3.946 30 20 BHED CC1(C)CCCC1=NNCCc1ccccc1F 764724657 XNUBBIGIYLDTRK-UHFFFAOYSA-N 248.345 3.524 30 20 BHED C#CCCCCCC(=O)NC1[C@@H](C)CCC[C@@H]1C 779807000 LIYIPTOMYBEFOD-KBPBESRZSA-N 249.398 3.511 30 20 BHED CC1(C)CC(=NN=c2cc[nH]cc2)CC(C)(C)C1 779811791 JNWLELWGQMHZGS-UHFFFAOYSA-N 245.370 3.508 30 20 BHED C=CCCCCC[C@@H](C)NCCc1ccccn1 793521201 VWDXYNJSDBDAPT-OAHLLOKOSA-N 246.398 3.739 30 20 BHED CSCCON=C1CCC[C@@H](C(C)C)C1 794572881 KCUSYWHQQGHWLS-LLVKDONJSA-N 229.389 3.568 30 20 BHED CC(C)C1CCC(C=NOCC(F)F)CC1 794928395 FYHZCBKRDBCYFQ-UHFFFAOYSA-N 233.302 3.716 30 20 BHED C=CCC(C)(C)C(=O)OCc1csc(C)c1 797252022 GRHKUVDUCDNHLZ-UHFFFAOYSA-N 238.352 3.702 30 20 BHED C=CCCSCc1cc(C)nc(Cl)c1 842174384 DNYVOYSURYEWIE-UHFFFAOYSA-N 227.760 3.853 30 20 BHED C=CCN(CCC#N)Cc1ccccc1C(C)C 848913308 TZOMKDQRWQGROA-UHFFFAOYSA-N 242.366 3.712 30 20 BHED C#CC[C@@H](NCCC=C(C)C)c1ccccc1 851902414 QNKZFGSTPUGSOT-MRXNPFEDSA-N 227.351 3.697 30 20 BHED C=C[C@@H](CC)CC(=O)Nc1cc(C)ccc1F 929515631 GYHHIRWGZFKTPM-NSHDSACASA-N 235.302 3.675 30 20 BHED CC(C)[C@H](C)SCCc1ccc(C#N)cc1 1652689640 YULLUNLYQPCNFL-LBPRGKRZSA-N 233.380 3.878 30 20 BHED C[C@@H](CCC#N)CN1CCCc2c(F)cccc21 1664238669 SZTGTPDZRPPEFA-LBPRGKRZSA-N 246.329 3.518 30 20 BHED Cc1cc(C)c(C#N)c(N[C@@H]2CCCC[C@@H]2C)n1 35121548 OMRVMXSDISLVOK-IINYFYTJSA-N 243.354 3.561 30 20 BHED CCCCSCc1ccccc1C#N 35151663 KSUULUSHRAGBQB-UHFFFAOYSA-N 205.326 3.592 30 20 BHED N#CCCCN1CCC[C@H]1CC1CCCCC1 57871704 PELRMHYWNHCXTI-HNNXBMFYSA-N 234.387 3.725 30 20 BHED N#Cc1cc(Cl)ccc1NCCC(F)(F)F 63100540 BUQQDVODBTXFJQ-UHFFFAOYSA-N 248.635 3.576 30 20 BHED Cc1ccoc1C(=O)/C=C/c1cccnc1Cl 119005075 MRDGCVCFTCTORO-SNAWJCMRSA-N 247.681 3.533 30 20 BHED C=CCC[C@H](C)NCCc1ccc(Cl)s1 134915828 BNGOXQJQMFWCFW-JTQLQIEISA-N 243.803 3.888 30 20 BHED C[C@H](NCC(C)(C)C#N)c1ccc(Cl)cc1 163913744 JBGBGZWDTUBSDS-JTQLQIEISA-N 236.746 3.540 30 20 BHED CC(C)Cc1ccc(CNCCCCC#N)cc1 176494646 DXCSAIZSRGWJMS-UHFFFAOYSA-N 244.382 3.669 30 20 BHED C[C@H]1CCC[C@H](C)C1NCc1ccc(C#N)s1 176956479 GCOFMLMCSKHSLQ-QWRGUYRKSA-N 248.395 3.534 30 20 BHED C=C(C)CSCCC(=O)Nc1ccccc1C 177870268 ZJCOHQFKXKYZRK-UHFFFAOYSA-N 249.379 3.633 30 20 BHED CC(C)CC[C@@H]1CCC[C@H]1NCCCCC#N 178642532 HIBLLOCTAGPJTG-LSDHHAIUSA-N 236.403 3.875 30 20 BHED C=C(Cl)CSCCOc1ccccc1 187651086 KNGZETVBUHFGNE-UHFFFAOYSA-N 228.744 3.551 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1cc(F)ccc1F 191795007 OGGZSCCLXLJOIW-ZDUSSCGKSA-N 239.265 3.506 30 20 BHED C=CCSCCN[C@H](C)c1ccc(CC)cc1 221944002 DIMVBCXABDXIIE-CYBMUJFWSA-N 249.423 3.819 30 20 BHED C[C@@H]1C[C@@H](C)CN(CCCCC(C)(C)C#N)C1 235375059 TVKAWBHKNOBTEA-ZIAGYGMSSA-N 236.403 3.684 30 20 BHED C[C@H](CCC#N)N1CCC[C@@H]1c1cccs1 276351373 WNDBXZIEYGJGKM-VXGBXAGGSA-N 234.368 3.577 30 20 BHED Cc1ccccc1CS[C@H]1CC[C@H](C#N)C1 278510258 DZEXFZMIYCSFRO-JSGCOSHPSA-N 231.364 3.921 30 20 BHED C=C[C@H](C)N[C@H](C)[C@@H](C)c1ccc(Cl)cc1 309500700 UVEGNZJZNUYOID-QJPTWQEYSA-N 237.774 3.996 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc(F)c(C)c1 309561831 LGVFDQLNPBBAAZ-NEPJUHHUSA-N 221.319 3.749 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cc(Cl)cc(C)c1O 309608879 ZJQYTEMWFGSMLK-ZJUUUORDSA-N 239.746 3.579 30 20 BHED C=CC[C@@H](CC)Nc1c(F)cc(C#N)cc1F 393765126 GFZWISSJSGBGPE-SNVBAGLBSA-N 236.265 3.603 30 20 BHED C=CCN(CC=C)CCC1(C#N)CCCCC1 411159949 AKMHKBPMNYLVEQ-UHFFFAOYSA-N 232.371 3.525 30 20 BHED CC(C)CC[C@H](NCC(C)(C)CC#N)C1CC1 414174501 YBDAEBKXKDCHNI-AWEZNQCLSA-N 236.403 3.731 30 20 BHED C=CCCCC[C@H](C)N[C@@H](C)C1(OC)CCC1 414312570 WSXPYQWVLSNIMF-KBPBESRZSA-N 239.403 3.669 30 20 BHED CCCC[C@H]1CCC[C@@H]1NCC1(CC#N)CC1 430741937 KJIHSDPPDHRJDX-KBPBESRZSA-N 234.387 3.629 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 449568710 CPZGWJSSUGPRDV-MELADBBJSA-N 247.386 3.613 30 20 BHED C=CCC1(NC(=O)CCC2CC2)CCCCC1 456374002 WMWVJSBHDCPCTA-UHFFFAOYSA-N 235.371 3.572 30 20 BHED C=C(C)CCc1noc(-c2ccc(C)c(F)c2)n1 508631371 KHQQMVOMNOBASK-UHFFFAOYSA-N 246.285 3.693 30 20 BHED C=CCCCCCN[C@H](C)c1cccc(C#N)c1 515951608 XLGQNZRNKHOFFY-CQSZACIVSA-N 242.366 3.955 30 20 BHED CC(C)[C@H]1CCC[C@@H](Nc2cccc(C#N)n2)C1 524582198 DUKBHTONLHORAB-QWHCGFSZSA-N 243.354 3.580 30 20 BHED Cc1cccnc1S[C@H](C#N)C1CCCCC1 553836709 NECMQJLXDZGYFS-CYBMUJFWSA-N 246.379 3.955 30 20 BHED Cc1ccc(CN(C)C[C@@H](C)CCC#N)cc1C 602685269 DVVODCTUHBRBDA-ZDUSSCGKSA-N 244.382 3.675 30 20 BHED C=CCS[C@H](C)c1ccc(F)cc1F 609633827 LKPXSDUEQAFNBK-MRVPVSSYSA-N 214.280 3.945 30 20 BHED C=CCC1(NCCCCCF)CCCC1 661850456 IVIWPMONPYZUSP-UHFFFAOYSA-N 213.340 3.605 30 20 BHED C=C(CC)CN1CC[C@@H]1c1cccc(F)c1 678624979 KPPILRNNIUFOLX-CQSZACIVSA-N 219.303 3.539 30 20 BHED CCc1ccc(C=NNc2ccc(F)cc2)s1 731149052 GYRVMYNZCAGDNB-UHFFFAOYSA-N 248.326 3.896 30 20 BHED CCCNN=C1C[C@H](C)C[C@@H](c2ccccc2)C1 749859538 WFQHUPLHMQLVGC-UKRRQHHQSA-N 244.382 3.946 30 20 BHED Cc1cc(F)ccc1NN=C/C=C\c1ccco1 750938685 LYLLYLYAWDHBKD-KCLRZSDESA-N 244.269 3.838 30 20 BHED CCCCCCC=NN=c1cc[nH]cc1Cl 755765077 CQTKIEZFYSOHGD-UHFFFAOYSA-N 239.750 3.525 30 20 BHED C=C(C)[C@@H](C)OC(=O)c1c(C)[nH]c2ccccc12 756015659 XWNGMEMZQSEMDS-LLVKDONJSA-N 243.306 3.598 30 20 BHED CC[C@@H]1CCCCC1=NNc1ccc(F)cn1 779775928 KHUQUCKQKFBMMN-SNVBAGLBSA-N 235.306 3.589 30 20 BHED C=CCN(C[C@@H]1CCc2ccccc21)C(C)C 780290180 WTAHRAYUGLFGKY-HNNXBMFYSA-N 229.367 3.613 30 20 BHED C#CCC1(C(=O)NCCCC(C)C)CCCCC1 788153857 BRUZIIXLPFALDX-UHFFFAOYSA-N 249.398 3.513 30 20 BHED CC[C@@H](C)CON=C[C@H](C)c1ccccc1 793163235 HNZJDOIFQWOUDK-OLZOCXBDSA-N 219.328 3.839 30 20 BHED C[C@@H](C#N)OCCSCCC1CCCCC1 802752396 UPOHRXUCWQQGEB-LBPRGKRZSA-N 241.400 3.619 30 20 BHED C=CCCCCCCNC(=O)[C@H](C)C(C)(C)C 805218079 REMPLGNEJCZFJF-ZDUSSCGKSA-N 239.403 3.921 30 20 BHED C=CCCCCCCNC(=O)/C=C\CCC 805218374 YUBVOLCBQSRPCF-BENRWUELSA-N 223.360 3.595 30 20 BHED CCCCC(C)=NNc1ccc([N+](=O)[O-])cc1C 807990813 NBYZMPCENSIJAK-UHFFFAOYSA-N 249.314 3.881 30 20 BHED C=C(Cl)CSC[C@H](CC(C)C)OC 842198177 ZHMKPJJAAGAALO-JTQLQIEISA-N 222.781 3.533 30 20 BHED CCCON=C(CC(F)(F)F)c1ccccc1 842565885 PTSYFDDXIUJNAK-UHFFFAOYSA-N 245.244 3.770 30 20 BHED C[C@H](CC(C)(C)C#N)OC(=O)C[C@H]1C=CCCC1 851205368 FRQIVAIPVLMVHK-OLZOCXBDSA-N 249.354 3.604 30 20 BHED CC(CC1CCC1)=NNc1ccc(Cl)cn1 853437477 PAIXOGPYJZXWDZ-UHFFFAOYSA-N 237.734 3.713 30 20 BHED C=CC(C)(C)CC(=O)N1CCC[C@@H](CCC)C1 879141733 AKFRBXJTBXEGSU-CYBMUJFWSA-N 237.387 3.627 30 20 BHED C=C[C@@H](C)N[C@@H](C)c1cc(-c2ccccc2)no1 925261403 GQNVYIGUPHSPCG-NEPJUHHUSA-N 242.322 3.567 30 20 BHED C[C@H](CC(C)(C)C#N)Nc1cccc2cc[nH]c12 926207927 XTTQDZHMBYYFFR-LLVKDONJSA-N 241.338 3.908 30 20 BHED C=CC[C@@H](C)[C@@H](C)N[C@@H]1CCCc2cccnc21 927059920 PKGSDBOIOMTVIN-UMVBOHGHSA-N 244.382 3.649 30 20 BHED C=C[C@H](CC)CC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 933005481 ORHFRVSKAFAMDD-KBUPBQIOSA-N 249.398 3.768 30 20 BHED Cc1cc(C)c(C#N)c(SCC2(C)CCC2)n1 1472918793 OARUOGQTZAZDNV-UHFFFAOYSA-N 246.379 3.852 30 20 BHED Cc1ccc(C#N)cc1NCc1ccc(F)cc1 50212755 LMHGAPWPEXVSRY-UHFFFAOYSA-N 240.281 3.618 30 20 BHED C=C(C)CN1CCC[C@H]1c1ccc(F)cc1 55506468 SDFWAWFHJJYPER-AWEZNQCLSA-N 219.303 3.539 30 20 BHED CCc1ccc(OCCCC(C)(C)C#N)cc1 57713397 MKBVOOJSXYQNBM-UHFFFAOYSA-N 231.339 3.958 30 20 BHED Cc1ccc(C)c(Sc2ccnc(C#N)c2)c1 61815508 PALVOQIKDRQZLC-UHFFFAOYSA-N 240.331 3.721 30 20 BHED CC[C@H](Cc1ccc(C)cc1)N(C)CCCC#N 75885825 XGOCGGWOVWKZJM-MRXNPFEDSA-N 244.382 3.552 30 20 BHED Cc1ccccc1NCc1ccc(C#N)s1 135510228 SYQUOZIOFLJQPD-UHFFFAOYSA-N 228.320 3.540 30 20 BHED C=CCCN[C@@H](C)c1ccc(C)c(C)c1 162197384 XHGWFVJPPSOVJK-ZDUSSCGKSA-N 203.329 3.530 30 20 BHED C[C@H](N[C@H]1CC[C@H](C)CC1)c1cccc(C#N)c1 245822546 ALAQOPYXDGBSIM-XEZPLFJOSA-N 242.366 3.788 30 20 BHED C[C@@H]1CC[C@@H](NCc2ccc(C#N)s2)C[C@H]1C 252812418 QCEXOTREXQCVQG-IJLUTSLNSA-N 248.395 3.534 30 20 BHED CCc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1 278904742 JCELNIJWHZVBSL-STQMWFEESA-N 230.355 3.592 30 20 BHED C[C@H](CCC#N)N(C)Cc1cc2ccccc2o1 299208243 HEARHEPTMKRQNQ-GFCCVEGCSA-N 242.322 3.557 30 20 BHED C[C@H](CCC#N)N1C[C@@H](c2ccccc2)C[C@H]1C 299401222 UXYMHJWNEIYEJN-FMKPAKJESA-N 242.366 3.557 30 20 BHED C=CCC(C)(C)c1noc(-c2cc(C)oc2C)n1 340824051 PXIDMFPKUVIVEI-UHFFFAOYSA-N 246.310 3.800 30 20 BHED C=C(Cl)CS[C@@H](C)c1cccnc1 379347434 AEJDUCSDQVXICL-VIFPVBQESA-N 213.733 3.628 30 20 BHED C=C(C)CCSc1ncccc1Cl 388614832 COTXIEQRGUIGOP-UHFFFAOYSA-N 213.733 3.793 30 20 BHED C=CCC(C)(C)CN[C@@H](C)Cc1ccsc1 393496243 PVQWFUDQLMOGHN-LBPRGKRZSA-N 237.412 3.871 30 20 BHED C=CCOc1c(OCC)ccc2ccccc12 463758746 ZWUMITLGPCJNRX-UHFFFAOYSA-N 228.291 3.803 30 20 BHED C=CCC1(C(=O)N[C@@H]2CCC[C@H](C)CC2)CCC1 480511443 UCQRRXKGPALHNZ-UONOGXRCSA-N 249.398 3.818 30 20 BHED C=C(C)CN1CCC[C@H]1/C=C\c1ccccc1 505833661 QKGKFXXRVUBUHZ-SNGWPZLWSA-N 227.351 3.740 30 20 BHED C[C@@H](NCCC(C)(C)C)c1ccc(C#N)c(F)c1 539610295 UOJOUCYDVZRGFF-LLVKDONJSA-N 248.345 3.784 30 20 BHED C=CCCCCCN(C)C(=O)C1CC2(CCC2)C1 580199001 XHSVNXGCCWEYNF-UHFFFAOYSA-N 249.398 3.772 30 20 BHED C[C@@H]1CCC[C@H](N[C@@H](C#N)c2ccccc2)[C@@H]1C 595439422 HGSVPSLIOOQQQJ-VDERGJSUSA-N 242.366 3.666 30 20 BHED CC(C)(C#N)CCN1CC[C@@H]1c1ccc(F)cc1 595702334 ITWZDKLXUDVSLY-CQSZACIVSA-N 246.329 3.512 30 20 BHED C[C@@H](c1ccco1)N(C[C@H](C)CCC#N)C1CC1 602455813 URRWLTFXDZFJIV-OLZOCXBDSA-N 246.354 3.745 30 20 BHED CC#CCN(Cc1ccccc1)Cc1ccccc1 607723880 WOKGCWQJXTUCHR-UHFFFAOYSA-N 249.357 3.712 30 20 BHED C=CC[C@@H]1CCCN(C(=O)C2(CC=C)CCC2)C1 617780064 NPZQAFCPORDNFV-CQSZACIVSA-N 247.382 3.548 30 20 BHED C=CC[C@H]1CCCC[C@@H]1N[C@@H](C)C1CC1 658028229 RFNYNZBCSOYULK-UBHSHLNASA-N 207.361 3.509 30 20 BHED C[C@@H](CCC#N)N[C@@H](C)C1CCCCCC1 695813140 RVHIPHWURYSYRD-STQMWFEESA-N 222.376 3.627 30 20 BHED Cc1cc(C)cc(NN=Cc2scnc2C)c1 743429963 CRLMAKZDXYFEDT-UHFFFAOYSA-N 245.351 3.514 30 20 BHED CCCCCC[C@@H](C)NN=C1CCCC1 743450602 NURSYOMROIWMNE-GFCCVEGCSA-N 210.365 3.865 30 20 BHED CCCCCC[C@@H](C)NN=C(COC)C(C)C 743450819 QZYMBHYWHBXEGD-CYBMUJFWSA-N 242.407 3.593 30 20 BHED CON=C(/C=C/c1ccccc1)c1ccccc1 767491706 XQTLKDRBVNIEJF-BNSYYMJASA-N 237.302 3.751 30 20 BHED C=CC[C@H](C)NC(=O)C=C(CCC)CCC 770759415 VUYFGALRBLJIPD-LBPRGKRZSA-N 223.360 3.594 30 20 BHED C=CCCC(=NOC1CCCC1)C1CC1 774602364 JFXFKINHGCHPAY-UHFFFAOYSA-N 207.317 3.678 30 20 BHED Clc1ccccc1CCCON=C1CCC1 784052430 XGSHRQLZJMDJSR-UHFFFAOYSA-N 237.730 3.829 30 20 BHED C=C[C@@](C)(CC)C(=O)N(C)c1ccc(C)c(C)c1 785589772 DNMUSOKFQVTXCA-INIZCTEOSA-N 245.366 3.869 30 20 BHED CC[C@@H](C)NN=C1CCCC[C@@H]1C(C)C 790186074 AMDBFIKZHIAHBO-VXGBXAGGSA-N 210.365 3.577 30 20 BHED C=CCC1(C(=O)OC/C(Cl)=C\Cl)CCC1 791557297 AWICLRJDBZGOOL-VQHVLOKHSA-N 249.137 3.595 30 20 BHED C=CCCCCC[C@H](C)N[C@@H]1CCCOCC1 793548180 TZJGHIHRQBHFAS-LSDHHAIUSA-N 239.403 3.670 30 20 BHED CCC[C@H](C)C(CC)=NNc1cccc(F)n1 795007414 YTKFLCDCPIGNJH-JTQLQIEISA-N 237.322 3.835 30 20 BHED C[C@H]1CC(C)(C)CCC1=NOC1CCC1 812236837 WJEMYMNFIYXHDZ-JTQLQIEISA-N 209.333 3.758 30 20 BHED C[C@@H](C=NNc1ccc(F)cn1)C1CCCCC1 814843008 WXDFDLYUHZHCDM-NSHDSACASA-N 249.333 3.835 30 20 BHED Fc1ccc(CON=C2CC[C@@H]2C2CCC2)cc1 814903622 RTSMLSSRPWRVOD-CQSZACIVSA-N 247.313 3.908 30 20 BHED C=CCC(F)(F)C(=O)NC[C@@H](CC)CCCC 814925581 NCGAROYKBXREOS-NSHDSACASA-N 247.329 3.530 30 20 BHED C=CCCC(CCC)=NOCCOC(C)C 814936862 MGSDUQUWAGCXJE-UHFFFAOYSA-N 227.348 3.550 30 20 BHED CC[C@H]1CCCC(=NN[C@H](C)c2ccncc2)C1 819814939 IVAIUGVAHMDIHE-OLZOCXBDSA-N 245.370 3.688 30 20 BHED C=C[C@@H]1CCCCN1CC[C@@H]1CC1(Cl)Cl 822977194 QAZLNJPJIFLMJY-GHMZBOCLSA-N 248.197 3.611 30 20 BHED C=CCN(C(=O)c1cccc(C(C)C)c1)C(C)C 826070727 DMLSANIFMXCLJP-UHFFFAOYSA-N 245.366 3.847 30 20 BHED COc1ccc(NC2CCC(C)(C#N)CC2)cc1 834706441 WIJSQAZEHAQHHZ-UHFFFAOYSA-N 244.338 3.580 30 20 BHED CCOCCON=C1CCCC12CCCCC2 834970222 UPGZEBYNNXARTL-UHFFFAOYSA-N 239.359 3.530 30 20 BHED CCC(=NNc1ccccc1F)[C@@H]1C[C@@H]1C 841616985 TZYZZNKVUQBRRQ-VHSXEESVSA-N 220.291 3.660 30 20 BHED C=CC[C@@H]1CCCCC1=NNc1ncccc1C 853337960 YPIOPSPULOJIRI-CYBMUJFWSA-N 243.354 3.924 30 20 BHED C=C(C)CON=C1CCC(=C2CCC2)CC1 853369249 JCZISTFMFMVAMU-UHFFFAOYSA-N 219.328 3.990 30 20 BHED CC(CCC(C)C)=NNc1ccnc(Cl)c1 853393746 ALAVBELHEIUCGH-UHFFFAOYSA-N 239.750 3.959 30 20 BHED CCCCNN=C(C)CCc1ccc(F)cc1 917549100 WIJBRPMAKDCYAX-UHFFFAOYSA-N 236.334 3.524 30 20 BHED C[C@H](CN(C)[C@@H]1CC[C@@H](C#N)C1)C1CCCCC1 1196818126 GMWXYQOEUXSVTK-IIAWOOMASA-N 248.414 3.827 30 20 BHED C(=NNC1CC1)c1ccc(-c2ccccc2)s1 1337814542 GRVXFJSBPOKYIA-UHFFFAOYSA-N 242.347 3.501 30 20 BHED C=CCCN(CC(=C)C)Cc1ccccc1 34597511 VUEKBOTULDUJRI-UHFFFAOYSA-N 215.340 3.641 30 20 BHED C[C@H]1CCC[C@H](Nc2cccc(F)c2C#N)C1 35237045 CQPCORDZCXSWJQ-QWRGUYRKSA-N 232.302 3.688 30 20 BHED CCC(C#N)(CC)C(=O)Nc1cc(C)ccc1C 44764907 ZLVZZJNWXPKAKM-UHFFFAOYSA-N 244.338 3.572 30 20 BHED N#Cc1c(Cl)cccc1NCC1CCCC1 47848159 NWROEBOJXGFAJU-UHFFFAOYSA-N 234.730 3.814 30 20 BHED Cc1ccc(COc2cccc(C#N)c2)cc1C 49668746 QBFLIHVSIFNUDU-UHFFFAOYSA-N 237.302 3.754 30 20 BHED CCN(CCC#N)[C@H](C)c1cc2ccccc2o1 64349249 JJSOHKHVXGFGAK-GFCCVEGCSA-N 242.322 3.729 30 20 BHED N#Cc1cccc(NCc2cccc3cc[nH]c23)c1 83377333 IYLNYPAAYNEDAO-UHFFFAOYSA-N 247.301 3.652 30 20 BHED C[C@@H](NCc1cc(C#N)cs1)c1cccs1 86500129 XTWKVNSANSIUIC-SECBINFHSA-N 248.376 3.532 30 20 BHED CC(C)CN(CCCC(C)(C)C#N)C(C)C 87608619 REJJMLNMOOLDQW-UHFFFAOYSA-N 224.392 3.683 30 20 BHED Cc1cccc(C(=O)/C=C\c2cccc(O)c2)c1 111471205 GPJXEEMHEDUKIP-HJWRWDBZSA-N 238.286 3.597 30 20 BHED CCCCCCCCCCC(=O)N(C)C 119891449 SEOYOGWLQZJPFI-UHFFFAOYSA-N 213.365 3.605 30 20 BHED C#CCCCCC(=O)N1CCC[C@@H](C)[C@H]1CCC 120219710 HSUQJZUQFMEECY-HUUCEWRRSA-N 249.398 3.607 30 20 BHED CCc1ccc([C@@H](C)NCC(C)(C)C#N)s1 129220379 JXQVBIWEZQZYAK-SNVBAGLBSA-N 236.384 3.511 30 20 BHED CCc1ccccc1CNCC(C)(C)CCC#N 135191426 IXVBCWBCWOIYKB-UHFFFAOYSA-N 244.382 3.669 30 20 BHED C=C[C@@H](C)N[C@H](C)c1cc2c(s1)CCCC2 157240662 NPTNNBYSXRCIIR-GHMZBOCLSA-N 235.396 3.852 30 20 BHED C=C(C)CN(C)C(=O)c1cc2ccccc2s1 180419707 FYYFEVDNNPLIEH-UHFFFAOYSA-N 245.347 3.549 30 20 BHED C=CCCCCCN(CC#N)C1CCCC1 194359156 RYGHURODIJYNNO-UHFFFAOYSA-N 220.360 3.501 30 20 BHED C=CCC(C)(C)C(=O)Nc1ccc(C)cc1 196737506 BUCCBAZGXQSRPK-UHFFFAOYSA-N 217.312 3.536 30 20 BHED CC[C@H](CC#N)N[C@@H]1CCC[C@@H](CC(C)C)C1 230771479 KUYXMDPWMVCNHL-RRFJBIMHSA-N 236.403 3.873 30 20 BHED CC1CCC(C)(NCc2ccc(C#N)cc2)CC1 236662562 DGVXUGORICZVJS-UHFFFAOYSA-N 242.366 3.617 30 20 BHED C[C@H]1CC[C@H](Nc2cccc(F)c2C#N)CC1 252963142 PVLBJXJVQBFALB-XYPYZODXSA-N 232.302 3.688 30 20 BHED CC(F)(F)CCNc1cccc(Cl)c1C#N 294249241 PUSLRCSPHLFANY-UHFFFAOYSA-N 244.672 3.669 30 20 BHED C[C@@H](c1ccccc1)N(CCCC#N)C1CC1 299377720 MVDVSVNIUVTVHH-ZDUSSCGKSA-N 228.339 3.516 30 20 BHED C=CCC[C@@H](NCC(C)(C)CC)C1CC1 309119298 MVXKEJMZNNSEPH-CYBMUJFWSA-N 209.377 3.757 30 20 BHED C=C[C@H](C)NCC1CCC(C(F)(F)F)CC1 309466013 PWHIINHCPDMTEO-WHXUTIOJSA-N 235.293 3.519 30 20 BHED C=CCC[C@H](C)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 309582427 QUFMWQXNKOJFAL-BYNSBNAKSA-N 221.388 3.900 30 20 BHED C=C(CC)CN[C@H](C)c1cc(F)cc(F)c1 313482792 MNZVNZJXSLBTOE-SNVBAGLBSA-N 225.282 3.582 30 20 BHED CC[C@]1(C)CCCN(Cc2cccc(C#N)c2)C1 353690456 RNPHTCIGDRYLPA-MRXNPFEDSA-N 242.366 3.570 30 20 BHED N#CCCCSCc1nc(C2CC2)cs1 359056165 PIFMETRYKYOLPY-UHFFFAOYSA-N 238.381 3.557 30 20 BHED C=CCC[C@H](CCC)N[C@H]1CC[C@H](F)C1 389857189 BMGYOGBGIQGMSP-AVGNSLFASA-N 213.340 3.602 30 20 BHED C[C@H]1CC(C)(C)C[C@H]1NCc1ccc(C#N)s1 421349321 IHXFCSURSVPQEP-GXFFZTMASA-N 248.395 3.534 30 20 BHED C=C(C)C(C)(C)C(=O)N(C)C1CCC(C)CC1 425418407 LUWHQSFNFWNNFX-UHFFFAOYSA-N 237.387 3.626 30 20 BHED C=CCC[C@H](C)Nc1cnn([C@@H](C)C2CC2)c1 427861245 BUWOWJZXTNAYMR-RYUDHWBXSA-N 233.359 3.621 30 20 BHED C=CCN(CCC#N)Cc1ccc(CCC)cc1 428859790 JFQRSNFAQYOERN-UHFFFAOYSA-N 242.366 3.541 30 20 BHED Cc1cc(CN[C@H]2CC[C@H](C)CC2)ccc1C#N 443989452 RDSBRIZGWHGQDK-YGUOUDRMSA-N 242.366 3.535 30 20 BHED C=CCC1(C(=O)N(C)C2CCCC2)CCCCC1 448639278 QETYZTAAHVSWBQ-UHFFFAOYSA-N 249.398 3.914 30 20 BHED C=CCCCC[C@@H](C)NC1CC(C)(F)C1 449375348 GSCYHUHCBSTLRB-PNESKVBLSA-N 213.340 3.602 30 20 BHED CC(C)Oc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 449467025 KAVIAUZJWGFSCQ-OCCSQVGLSA-N 244.338 3.578 30 20 BHED CC[C@]1(C)CCCN(c2ccc(F)cc2C#N)C1 462925473 JSPFANXXSVEVFE-OAHLLOKOSA-N 246.329 3.714 30 20 BHED CCCCC[C@@H]1CCCN1c1ccc(C#N)nc1 486904314 AOSCKWOHSXPDHX-CQSZACIVSA-N 243.354 3.502 30 20 BHED C=CCN(CC1CCCCC1)C(=O)C[C@H]1C[C@@H]1C 521946009 RWSCPQBOUABSDK-DZGCQCFKSA-N 249.398 3.627 30 20 BHED C=C(C)CN(CC)c1ncc(C(C)C)s1 542520480 HVCFSJLGRIVSRX-UHFFFAOYSA-N 224.373 3.669 30 20 BHED C=CCC(C)(C)c1noc(C[C@@H](C)CCC)n1 551144816 UYSNKXQAARUQLW-NSHDSACASA-N 236.359 3.902 30 20 BHED C=CCCCC[C@@H](C)N[C@@H](C)c1cnn(CC)c1 553104000 GZSNKHODCWZSID-KGLIPLIRSA-N 249.402 3.689 30 20 BHED C=CCCCCNc1cccc(NC(C)=O)c1C 560340145 QCOATBVHSQZMJV-UHFFFAOYSA-N 246.354 3.722 30 20 BHED C=CCC(C)(C)CNC(=O)[C@H]1CCC(C)=C(C)C1 563172673 JXGXBHSJPIUXTG-AWEZNQCLSA-N 249.398 3.841 30 20 BHED C=CCCCCSCCCSC 563309538 DTSDCLZQJWUFIW-UHFFFAOYSA-N 204.404 3.829 30 20 BHED C=CCCCN1CCC[C@H](Cc2ccccc2)C1 605150843 MHHGHHSWQMJFNI-QGZVFWFLSA-N 243.394 3.907 30 20 BHED CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)C1CCCCC1 613667726 LWFVGLAPSJYNOS-YUELXQCFSA-N 234.387 3.627 30 20 BHED C[C@@H](CC(C)(C)C#N)N[C@H](C)C1CCCCC1 695818746 YTYZZHKWZDXEOP-QWHCGFSZSA-N 236.403 3.873 30 20 BHED Cc1cc([C@@H](C)N[C@H](C)CC(C)(C)C#N)c(C)o1 709981984 QDTDLXDYYLIALT-ZYHUDNBSSA-N 248.370 3.875 30 20 BHED CC(=NNC1CCCC1)c1ccc(C)c(C)c1 727652918 VVEMGKDUAJOTFP-UHFFFAOYSA-N 230.355 3.560 30 20 BHED Cc1ccccc1C(=NNC1CCCC1)C1CC1 731926487 GFUPYOCPTQFZJE-UHFFFAOYSA-N 242.366 3.641 30 20 BHED CC(C)C(=NNc1ccccc1)C1CC1 750912765 QHWBTKCAFPHQEM-UHFFFAOYSA-N 202.301 3.521 30 20 BHED CC(C)(C)[C@H]1CCCC(=NNC2CC2)CC1 758126729 HKQHULOZVBPVMW-NSHDSACASA-N 222.376 3.721 30 20 BHED CCCCCCCC(=O)N[C@H](C)c1ccc[nH]1 760730453 UUUGPYOYOMKWID-GFCCVEGCSA-N 236.359 3.552 30 20 BHED CCC(CC)=NNc1c(C)cccc1F 769839155 AIQJWGCXVFPVNI-UHFFFAOYSA-N 208.280 3.722 30 20 BHED CC1(C=NNc2ccc(C(F)(F)F)cc2)CC1 782252790 NXXVKXMHCQAODR-UHFFFAOYSA-N 242.244 3.903 30 20 BHED CC1(C)CCC(=NNc2cccc(F)c2)C1 783830762 DHNYHSVLEVGFCC-UHFFFAOYSA-N 220.291 3.804 30 20 BHED C[C@H](NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)C(C)(C)C 793113165 AOEQBDBTWFNPEF-VJTDZRGJSA-N 248.414 3.823 30 20 BHED C=CC[C@@H](CC)NC(=S)Nc1ccc(C)cc1 798376465 UNCHGCXDOYSKKT-GFCCVEGCSA-N 248.395 3.636 30 20 BHED CC[C@@H]1CCC1=NNc1c(F)cccc1F 807972694 UEMVZBUNFNMMNE-MRVPVSSYSA-N 224.254 3.553 30 20 BHED CC[C@H]1CCC1=NOCc1ccc(F)cc1 807982621 HSOXLGKYTHZIJM-NSHDSACASA-N 221.275 3.518 30 20 BHED C[C@@H]1CCCC(=NNCC2CCCC2)[C@@H]1C 808006086 OMEAJMVAFDFDNH-VXGBXAGGSA-N 222.376 3.578 30 20 BHED C=CCCCCCCCNC(=O)C[C@@H]1C=CCC1 811591062 XPHHAUXFSUUNIC-OAHLLOKOSA-N 249.398 3.986 30 20 BHED CCCC[C@H]1CCCC1=NOC1CCC1 812235645 LMTNCJXTGYUHMI-NSHDSACASA-N 209.333 3.902 30 20 BHED C#CCCCNc1ccccc1C(C)(F)F 834640570 OZBCTQISZOFKDA-UHFFFAOYSA-N 223.266 3.624 30 20 BHED COc1ccc([C@@H](C)C(C)=NOC(C)C)cc1 835000830 RXNMJZBZSKMASA-NSHDSACASA-N 235.327 3.600 30 20 BHED Fc1cccc(NN=C2CCC[C@@H]3C[C@H]23)c1F 841624093 BJEVWFZBMMUELZ-BDAKNGLRSA-N 236.265 3.553 30 20 BHED CCCCCCCN1CCC[C@H]1c1ncccn1 878975174 AMKHHHTUGAOMDD-AWEZNQCLSA-N 247.386 3.584 30 20 BHED C=CC(C)(C)c1nc(C2CCCCCC2)no1 904686555 ZSENZYJJOOHHPX-UHFFFAOYSA-N 234.343 3.971 30 20 BHED Cc1cccc(F)c1CN[C@@H](C)CC(C)(C)C#N 925168719 WMIPTYLQAVQDFC-LBPRGKRZSA-N 248.345 3.552 30 20 BHED C=C(CC)CN[C@@H](C)c1ccc(C(C)(C)O)cc1 926549855 IZRGPKAJBPJSCE-ZDUSSCGKSA-N 247.382 3.531 30 20 BHED Cc1ccccc1C(=NOC(C)(C)C)C1CC1 1319683937 CENBUAWQGSABKI-UHFFFAOYSA-N 231.339 3.924 30 20 BHED CCc1cccc2c(C=NOC(C)(C)C)c[nH]c12 1319802553 HSLVPFSKONZKRE-UHFFFAOYSA-N 244.338 3.879 30 20 BHED CC1(C)CCC[C@H](CN[C@@H]2CCC[C@H](C#N)C2)C1 1659465800 RMWDVEQFCPWGNZ-SOUVJXGZSA-N 248.414 3.875 30 20 BHED N#Cc1ccccc1OC/C=C/c1ccccc1 19806739 XTRHLABYOSOQLY-RMKNXTFCSA-N 235.286 3.650 30 20 BHED CCCCCCN[C@@H](C)c1ccc(C#N)cc1 20143569 SJOZGBQIFWUXBJ-ZDUSSCGKSA-N 230.355 3.789 30 20 BHED C[C@@H]1CCC[C@H](N(C)Cc2cccc(C#N)c2)C1 42240528 PQTQXLPLLYWNLK-CJNGLKHVSA-N 242.366 3.569 30 20 BHED CCC[C@H](CC)N[C@H](C)c1ccc(C#N)cc1 50400443 ZSAOPTWHBQQBLR-DOMZBBRYSA-N 230.355 3.788 30 20 BHED CCCCCCCN[C@@H](C)c1ccccn1 59090600 RBYPAZLCYJDVBG-ZDUSSCGKSA-N 220.360 3.703 30 20 BHED CC[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 118393001 LKNPWPFXGUSAQJ-UONOGXRCSA-N 242.366 3.741 30 20 BHED CC1(C)CCC/C(=C/c2cc(C#N)cs2)C1=O 159016894 ZSXIAJFWEHYWNH-XFFZJAGNSA-N 245.347 3.782 30 20 BHED C#CCCCOc1c(Cl)cccc1Cl 161027707 PZIQTNAZNDXGRO-UHFFFAOYSA-N 229.106 3.786 30 20 BHED Cc1cccc(CCCSCCCC#N)c1 191004677 UXAHUXYAHZNMSP-UHFFFAOYSA-N 233.380 3.965 30 20 BHED Cc1ccc(F)c(N[C@H]2CCC[C@@H](C#N)C2)c1 193105540 XKKHMCLBLJKEDJ-NEPJUHHUSA-N 232.302 3.628 30 20 BHED C=C(C)CSCCOc1ccc(F)cc1 219728692 OYGYLWIPVSAMQX-UHFFFAOYSA-N 226.316 3.514 30 20 BHED C[C@@H]1CCC[C@@H](Nc2cc(F)cc(C#N)c2)[C@@H]1C 227605562 SQRSTDGGRJZHKZ-UEKVPHQBSA-N 246.329 3.934 30 20 BHED Cc1ccc(C#N)cc1NC[C@H]1C[C@H]2CC[C@H]1C2 250915566 HYANGSIYMGSTAX-AEGPPILISA-N 240.350 3.715 30 20 BHED C=CCN[C@@H](c1cccc(C)c1)C(C)(C)C 309703613 NNQOBGYCLZSKGY-AWEZNQCLSA-N 217.356 3.858 30 20 BHED C=C(C)COCCN[C@H](CC)c1cccc(C)c1 336785423 DJJYVDNECGDINZ-MRXNPFEDSA-N 247.382 3.628 30 20 BHED CCC[C@H](C)CC(=O)Nc1ccccc1CC#N 339185446 KWYHIFKKUJYUCR-LBPRGKRZSA-N 244.338 3.517 30 20 BHED C=CCCCCCSCC[C@H]1CCOC1 419497460 NBCQPBIXICJCRF-CYBMUJFWSA-N 228.401 3.893 30 20 BHED C=C(C)C(C)(C)C(=O)N1CC[C@H](C2CCCC2)C1 424895082 RKIXVMWVARYGBP-AWEZNQCLSA-N 249.398 3.627 30 20 BHED C=CCNc1cnn(-c2ccccc2)c1C(C)C 447885136 DAQZNXLYQBHUJS-UHFFFAOYSA-N 241.338 3.594 30 20 BHED C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 448616120 ZTDIZEGLXGMPSQ-MELADBBJSA-N 249.398 3.674 30 20 BHED C=C(C)CCNC[C@H](C)c1cc(F)cc(F)c1 449477540 PJEGJQQGXAOYMN-NSHDSACASA-N 239.309 3.624 30 20 BHED C=CC[C@@H](CC)N[C@H](C)Cc1ccccc1C 466389443 QWCSLJRPCSWZTN-GDBMZVCRSA-N 231.383 3.870 30 20 BHED C=CCC[C@H](CC)N[C@H]1COc2ccc(F)cc21 468048198 FQRRGQDFBPIXBX-JSGCOSHPSA-N 249.329 3.594 30 20 BHED C=C1CCN(C[C@@H](CC)c2ccccc2)CC1 513484389 JWVBDNSRELECIG-OAHLLOKOSA-N 229.367 3.832 30 20 BHED C=CCCCn1cc(-c2ccc(C)cc2)cn1 525358566 BZDOFHDGSDFXLO-UHFFFAOYSA-N 226.323 3.825 30 20 BHED CC#CCN(C)Cc1ccccc1-c1ccccc1 525633228 VKFQMODGOFNPJV-UHFFFAOYSA-N 249.357 3.809 30 20 BHED C=CCN(Cc1cscc1Cl)C1CC1 680481643 NMUKKPDHRDTZSV-UHFFFAOYSA-N 227.760 3.552 30 20 BHED CCC(CC)NN=C1CCC[C@H](C2CC2)C1 737434147 OEWZPGYGLTYJFT-LBPRGKRZSA-N 222.376 3.721 30 20 BHED C=C(Cl)CN1CC[C@H]1c1ccc(Cl)cc1 749115164 PNMBMMWMZIVFBT-LBPRGKRZSA-N 242.149 3.839 30 20 BHED O=C(/C=C\c1ccc(O)c(F)c1)C1CCCCC1 755581514 NPKGDAKVMFWQAO-VURMDHGXSA-N 248.297 3.694 30 20 BHED C#CCCCN[C@@H]1CCCc2c(C)ccc(C)c21 769965741 YUIMXINPEMUVOB-MRXNPFEDSA-N 241.378 3.684 30 20 BHED CC(C)CNN=Cc1cc(Cl)ccc1Cl 771567544 PUSFXLQXSWSNMD-UHFFFAOYSA-N 245.153 3.573 30 20 BHED C=CCN(C[C@H]1CCc2ccccc21)C(C)C 780290183 WTAHRAYUGLFGKY-OAHLLOKOSA-N 229.367 3.613 30 20 BHED C#CCCCCCC(=O)NCCCC(C)(C)C 780541097 WNSQEAFOANEKEI-UHFFFAOYSA-N 237.387 3.513 30 20 BHED CC1(C)CCC(=NN[C@H]2CCCC2(C)C)C1 782285561 BHCWCNFHAOUSSY-LBPRGKRZSA-N 222.376 3.721 30 20 BHED CC(C)C1CCC(=NNc2ncccc2F)CC1 794989943 GYDCTLQVMQIMKX-UHFFFAOYSA-N 249.333 3.835 30 20 BHED C=CCC(C)(C)C(=O)O[C@@H](C)CC(C)C 796773525 CLCSFAMTQIPCEL-NSHDSACASA-N 212.333 3.567 30 20 BHED Fc1ccc2oc(C=NOCCC3CC3)cc2c1 814246595 TYZDGIIXHYVWGE-UHFFFAOYSA-N 247.269 3.723 30 20 BHED CC[C@@H](C)CC=NNc1cccc(OC)c1 834934363 QCSZFNFAAUETBJ-LLVKDONJSA-N 220.316 3.529 30 20 BHED CC(=NNc1ccccc1)c1cccc(C)c1 916245941 NKDONVQXHHKYSA-UHFFFAOYSA-N 224.307 3.831 30 20 BHED Cc1ccnc(SCC2(C#N)CCCC2)c1 918814429 DAIMDZWLOWNBDJ-UHFFFAOYSA-N 232.352 3.566 30 20 BHED CC(C)[C@H]1CCCN([C@@H](C#N)c2ccccc2)C1 1642751071 NIWHEQOZKQANJE-HOTGVXAUSA-N 242.366 3.619 30 20 BHED CC(C)(C)[C@H]1CCC[C@@H]1Nc1cccc(C#N)n1 1651933515 YIPJYUHWNSPLNI-STQMWFEESA-N 243.354 3.580 30 20 BHED C=C(Cl)CN1CCC[C@@H](C)[C@@H]1CCC 1653646279 BGWHZYJFDVRTEW-PWSUYJOCSA-N 215.768 3.640 30 20 BHED C#Cc1cccc(NCc2ccc(Cl)cc2)c1 19876792 MIOZHPDOJPJEKH-UHFFFAOYSA-N 241.721 3.933 30 20 BHED C=C(C)COc1cccc(NC(=O)C(C)(C)C)c1 66463646 PHOXAEYJMJTMDK-UHFFFAOYSA-N 247.338 3.626 30 20 BHED Cc1ccc(C(=O)/C=C\c2cccnc2)cc1C 96399852 CDCRKULQGBGTBT-VURMDHGXSA-N 237.302 3.595 30 20 BHED C=CCS[C@@H](C)C(=O)Nc1ccc(C)cc1C 114757009 SJTQYYXLQVOIOE-LBPRGKRZSA-N 249.379 3.550 30 20 BHED C=CCC[C@H](C)N[C@@H](C)c1ccc(OC)cc1 135712662 NSFWPJIRBZHCIZ-STQMWFEESA-N 233.355 3.701 30 20 BHED CC(C)(C#N)CCCSCC1CCC1 161882387 RAYSCVTVENOHNJ-UHFFFAOYSA-N 211.374 3.850 30 20 BHED CC(C)CN(CC(C)(C)CCC#N)C(C)C 179703887 YMZVNCZJVOJYLB-UHFFFAOYSA-N 224.392 3.683 30 20 BHED CC(C)(C#N)CCNc1cc(F)cc(Cl)c1 230001112 UGFGBKXUMCGAHU-UHFFFAOYSA-N 240.709 3.831 30 20 BHED C=CCCN(C)C(=O)Nc1cccc(C(C)C)c1 275972419 ACPJVHCPKBBDMD-UHFFFAOYSA-N 246.354 3.850 30 20 BHED C=CCC[C@@H](N[C@H](C)C1CC1)c1ccco1 285559176 HBVVBDIYJPQADB-DGCLKSJQSA-N 219.328 3.675 30 20 BHED CC[C@@H](OC(=O)[C@@](C)(C#N)CC)c1ccccc1 286854255 XFAKKORNARRCPS-UKRRQHHQSA-N 245.322 3.621 30 20 BHED C=CCCCCCCN[C@H](C)c1nccs1 287102563 QDDWUMXULDACFS-GFCCVEGCSA-N 238.400 3.930 30 20 BHED C=CCCCCCCN[C@H](C)c1nccn1CC 297222589 HHJSUDFSCOEXLR-CQSZACIVSA-N 249.402 3.690 30 20 BHED C[C@H](CC1CCCCC1)Nc1ncccc1C#N 302855828 LNXUWNHMIDIKMC-GFCCVEGCSA-N 243.354 3.724 30 20 BHED C=C(CC)CNc1cccc2ccn(C)c12 309962678 MBDDJORBJAGZPM-UHFFFAOYSA-N 214.312 3.556 30 20 BHED C[C@@H]1CC[C@H](C(O)=Nc2cccc3ocnc23)C1 328900949 YNAWWXUOQOLRFW-ZJUUUORDSA-N 244.294 3.852 30 20 BHED CC1(C#N)CCN([C@H]2/C=C/CCCCC2)CC1 334244697 CCHOVYCOMKFBDU-DYLGSBMWSA-N 232.371 3.501 30 20 BHED CCCCCCCNC1(C2CC2)CCOCC1 368489512 BQNKGEQVLUXPSL-UHFFFAOYSA-N 239.403 3.506 30 20 BHED N#C[C@H]1CC[C@H](SCC2CCCCC2)C1 430106127 YGJVAYMVKNIDGQ-STQMWFEESA-N 223.385 3.992 30 20 BHED C=C(C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 448550898 MMMQLZNMFOBSIK-RRFJBIMHSA-N 249.398 3.675 30 20 BHED C=CCCCCNC(=O)CCC1CCCCC1 471669010 ULVWZRMGOVSZEX-UHFFFAOYSA-N 237.387 3.819 30 20 BHED C=CCC1(C(=O)N[C@@H]2CCC[C@H](CC)C2)CCC1 479977300 CMIVPIQOMDEPQD-UONOGXRCSA-N 249.398 3.818 30 20 BHED C=CCCCN1CC[C@H](c2ccc(F)cc2)C1 483104605 IIBCXJBZPWVSDS-AWEZNQCLSA-N 233.330 3.581 30 20 BHED C=C(C)CCc1noc(C[C@H](C)C(C)(C)C)n1 508613372 DJLBTMDCPDDMCS-NSHDSACASA-N 236.359 3.803 30 20 BHED C=CCC(C)(C)C(=O)N(C)[C@@H]1CCC(C)(C)C1 510888475 WCKYQKAYQCGCIV-GFCCVEGCSA-N 237.387 3.626 30 20 BHED C=CCCCSc1cccc(OC)c1 517618987 DVDBCLFTEABUEB-UHFFFAOYSA-N 208.326 3.754 30 20 BHED C=CCCCN1CCc2ccccc2[C@@H]1C 530902056 BDFHUYTXVAFVLE-ZDUSSCGKSA-N 215.340 3.572 30 20 BHED C=C(C)COc1ccc(/C=C\C)cc1OC 535513392 KTKIACPEUMMNTH-WAYWQWQTSA-N 218.296 3.683 30 20 BHED CCC[C@H](C)CN(C)Cc1cc(C#N)ccc1F 561253976 FZQAEEFHOQHVJM-LBPRGKRZSA-N 248.345 3.565 30 20 BHED CC(C)[C@@H](C)S[C@H](C#N)Cc1ccccc1 610288502 VLEPDMMIXAKERT-OCCSQVGLSA-N 233.380 3.899 30 20 BHED CCC[C@H](Cc1ccccc1)NCC(C)(C)C#N 613145924 QEEJAOVBJWXUPI-OAHLLOKOSA-N 244.382 3.537 30 20 BHED C=CCC1(NC(=O)c2cc(C)oc2C)CCCC1 619112944 ATXZSODUIUWZMR-UHFFFAOYSA-N 247.338 3.515 30 20 BHED C=CC[C@@H](C)N[C@@H](C)c1ccc(C(F)F)nc1 657919671 UWLXHFADFZIACF-ZJUUUORDSA-N 240.297 3.634 30 20 BHED COc1cc(C#N)ccc1OC[C@@H](C)C(C)(C)C 711196566 FYRRAWYAYJJQCM-LLVKDONJSA-N 247.338 3.628 30 20 BHED Cc1ccc(NN=C(C(C)C)C2CC2)cc1 750912202 LKMONQBYEHXFEC-UHFFFAOYSA-N 216.328 3.829 30 20 BHED CCCCCC=NNCCCOc1ccccc1 755696102 JLMKGGUSOQBUDY-UHFFFAOYSA-N 248.370 3.611 30 20 BHED CCCCCCCSCc1nc(CC)no1 764638712 LISVKNDACHFDSC-UHFFFAOYSA-N 242.388 3.836 30 20 BHED CC1(CNN=C2CCC3(CC2)CC3)CCCC1 793084301 KEBRAEGSXPGAST-UHFFFAOYSA-N 234.387 3.867 30 20 BHED CCC(C=NOCCOC(C)C)(CC)CC 814937243 ZRUFGXBJBZNCPL-UHFFFAOYSA-N 229.364 3.630 30 20 BHED C(=NNc1ccccc1)c1cccc2cccnc12 818195834 AGJLZLYPPAOMMK-UHFFFAOYSA-N 247.301 3.681 30 20 BHED C=CCC[C@@H]1CCCN1C(=O)c1sccc1C 1340856168 IKAQFNUTWCIVQM-GFCCVEGCSA-N 249.379 3.627 30 20 BHED C#CCCCCCC(=O)NC[C@H]1CCC[C@@H]1CC 1344379378 TWFOFQIJGCICJU-LSDHHAIUSA-N 249.398 3.513 30 20 BHED C=CC[C@H](S[C@H](C)c1cccs1)C(=O)O 1588759190 QYJKURQFKSCMGF-SCZZXKLOSA-N 242.365 3.572 30 20 BHED C=CCN[C@H](C)c1ccc(C(F)(F)F)cc1 19876033 MNHISNWDRNHZDR-SECBINFHSA-N 229.245 3.542 30 20 BHED N#Cc1cccc(CSCc2ccco2)c1 26513473 LUKMPIPIWFVTCE-UHFFFAOYSA-N 229.304 3.585 30 20 BHED C=CCCCOc1ccc2c(c1)CCCC2=O 71275572 UHQVPXOKMIFQRF-UHFFFAOYSA-N 230.307 3.551 30 20 BHED Cc1ccc(C#N)cc1OC/C(Cl)=C/Cl 124435733 OJXXEYHFAGPLKR-YHYXMXQVSA-N 242.105 3.565 30 20 BHED C=CC[C@H](C)N[C@H]1CCCc2ccc(OC)cc21 163341627 LSENGBZAMLPSEB-LRDDRELGSA-N 245.366 3.627 30 20 BHED C[C@@H](C#N)Oc1ccccc1N[C@H](C)C1CCC1 180206222 ZHAYVPJQTROLML-NWDGAFQWSA-N 244.338 3.578 30 20 BHED CCCSCc1ccc(C#N)cc1C 186129298 QQGCZNKMIKYZLK-UHFFFAOYSA-N 205.326 3.510 30 20 BHED Cc1ccc(C)c(C(=O)/C=C\c2cccnc2)c1 208865245 UEKNLSHBPZNNMK-FPLPWBNLSA-N 237.302 3.595 30 20 BHED C[C@H]1CCCC[C@@H]1CNc1cccc(C#N)c1 227613745 KJXXVMTUBRVIJS-GXTWGEPZSA-N 228.339 3.796 30 20 BHED Cc1ccccc1[C@H](C)NCC(C)(C)CCC#N 229671124 ACRMZDFEEZLDBJ-AWEZNQCLSA-N 244.382 3.976 30 20 BHED Cc1cccc(Nc2ccc(Cl)c(C#N)n2)c1 301569226 WIVSKOZYXPRONM-UHFFFAOYSA-N 243.697 3.659 30 20 BHED C=CCCCC[C@H](C)N[C@@H]1CCC[C@@H]1C 309019860 WJNNTHHYVPIXLM-MELADBBJSA-N 209.377 3.900 30 20 BHED C=C[C@@H](C)N[C@H]1CC(C)(C)c2ccccc21 309507388 WHRPLHJMXXCQAK-RISCZKNCSA-N 215.340 3.573 30 20 BHED C=CCN[C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1 310365164 LVBXKUIZBODJDY-NUEKZKHPSA-N 229.367 3.734 30 20 BHED C=C(CC)CN1CCC(c2ccsc2)CC1 362654114 FDIONAQYJTYQPN-UHFFFAOYSA-N 235.396 3.894 30 20 BHED C=C(Cl)CN[C@H](CCC(C)C)C1CC1 388723385 WQRFAAFUAAGZCJ-GFCCVEGCSA-N 215.768 3.543 30 20 BHED CC(C)O[C@@H](CSCCC#N)c1ccccc1 413021657 ZCNLPNDGHZHJPU-AWEZNQCLSA-N 249.379 3.800 30 20 BHED C=CCOc1ccc(OCCC(C)(F)F)cc1 418883495 CFUABLBEUNLRHC-UHFFFAOYSA-N 242.265 3.676 30 20 BHED CCc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)s1 424324982 KOFDYTYTKVWHLP-GRYCIOLGSA-N 248.395 3.653 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)c1nccn1CC 449565727 KJTYFAKXMHCOBO-UONOGXRCSA-N 249.402 3.689 30 20 BHED C=CCC[C@H](NCC(C)(C)C=C)C1CC1 453304177 FHDDSWURBCUIRV-ZDUSSCGKSA-N 207.361 3.533 30 20 BHED CCCC[C@H](C)[C@H](C)NCC(C)(C)CC#N 459729606 KFBMNVIQVSDXPM-STQMWFEESA-N 224.392 3.731 30 20 BHED C=CCCCCCN1CCn2cccc2[C@H]1C 486800852 KMGPPDIONQPPTG-CQSZACIVSA-N 232.371 3.611 30 20 BHED N#Cc1ccc(CSCC2CCCCC2)nc1 516903709 RXDXPWHQFRBGGU-UHFFFAOYSA-N 246.379 3.767 30 20 BHED CCN(C[C@H](C)C#N)CC(CC)(CC)CC 542019771 HKCCTHRKDLYDMK-CYBMUJFWSA-N 224.392 3.684 30 20 BHED C=CCCCC(=O)NCC(C)(C)C(C)(C)C 554102489 VFOOUDCLHDPYAR-UHFFFAOYSA-N 225.376 3.531 30 20 BHED COc1ccc(C#N)cc1CSCC=C(C)C 576811682 MFEDROWYTAKGRI-UHFFFAOYSA-N 247.363 3.766 30 20 BHED C=CCC(C)(C)c1noc(C2(CC=C)CCC2)n1 581026390 APNMRAPQTLIYRP-UHFFFAOYSA-N 246.354 3.921 30 20 BHED Cc1cc(C)nc(SCC(C)(C)CC#N)c1 594894522 LGGDHOZUMRHDCF-UHFFFAOYSA-N 234.368 3.730 30 20 BHED CC1(C)CCC(C)(C)N(CCCCC#N)C1 599539202 YMLSWSKPTAYJMP-UHFFFAOYSA-N 222.376 3.581 30 20 BHED C=C[C@](C)(CC)C(=O)NCc1cc(C)cc(C)c1 618159302 VGIYPGCUJUHDGD-MRXNPFEDSA-N 245.366 3.522 30 20 BHED C=CC[C@@H]1CCCC[C@H]1NCC1(C(F)F)CC1 657997291 AUNNBVPGDYAVAA-VXGBXAGGSA-N 243.341 3.756 30 20 BHED CCCCC(C)=NNc1cccc([N+](=O)[O-])c1C 727972711 DZHNZZWBVRKHIK-UHFFFAOYSA-N 249.314 3.881 30 20 BHED C=CC[C@@H](C)NC(=O)N[C@@H](C)CCCCCC 735089678 AJNSRTXVXVNXPS-OLZOCXBDSA-N 240.391 3.609 30 20 BHED CCC(C=NNc1oc(C(C)C)nc1C#N)CC 745624139 GYMGUKSQHOHAIR-UHFFFAOYSA-N 248.330 3.504 30 20 BHED C#CCCN1CCCCC[C@H]1c1ccccc1 760819608 SXBZOBWKZDYGPM-INIZCTEOSA-N 227.351 3.627 30 20 BHED CCC[C@@H](C)c1noc(-c2cc(C#N)cs2)n1 761844172 NMTAWVQRLBTVFG-MRVPVSSYSA-N 247.323 3.573 30 20 BHED C#CCCCN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C 769953519 KWDYYMOVHDGVJN-STQMWFEESA-N 245.341 3.547 30 20 BHED CC[C@H]1CCCCC1=NNC1CCCCC1 786039829 HVCYLSRUPOXZSU-LBPRGKRZSA-N 222.376 3.865 30 20 BHED C=CCC[C@H](NC[C@H]1CCC=CO1)c1ccco1 796947078 HRKJAIIEZNNHFM-KGLIPLIRSA-N 247.338 3.569 30 20 BHED COc1ccccc1CON=C[C@H](C)C(C)(C)C 800817292 KKOVNEZXNXJYFE-LBPRGKRZSA-N 249.354 3.880 30 20 BHED CCCCCCCC(=O)NCc1occc1C 814144116 LQDKDGLLQAWDLE-UHFFFAOYSA-N 237.343 3.565 30 20 BHED C=CCCCOC(=O)c1ccn(C(C)C)c1C 815316003 CDUSGXHIINFCID-UHFFFAOYSA-N 235.327 3.500 30 20 BHED C[C@H]1CC=C(C(=O)OCC(C)(C)CCC#N)CC1 835387602 WUAAJROBKCWYDJ-LBPRGKRZSA-N 249.354 3.606 30 20 BHED C/C=C/C=C/C(=O)OCCC1(C#N)CCCCC1 840015400 NZKBQVMSFZOAFE-YNRRLODASA-N 247.338 3.526 30 20 BHED CCCCCCOc1cccc(OCC#N)c1 842111058 XHFYWNCFJDLVNC-UHFFFAOYSA-N 233.311 3.548 30 20 BHED C=C(C)CSCc1coc(C(C)(C)C)n1 901769318 LZIRNIFHQAMYMC-UHFFFAOYSA-N 225.357 3.781 30 20 BHED C=C(C)COc1ccc(C)c2c1C(=O)C[C@@H]2C 1322353305 ZJYMPLCEWAJSOZ-NSHDSACASA-N 230.307 3.640 30 20 BHED C[C@H](CN(CCC#N)CC(C)(C)C)C(C)(C)C 1644669210 GXCRFGDRUSFEJE-CYBMUJFWSA-N 238.419 3.930 30 20 BHED O=C1/C(=C/c2cccnc2)CCCc2ccccc21 17022611 UFKIBTZHNXDHOF-RVDMUPIBSA-N 249.313 3.684 30 20 BHED CCN(Cc1c(C)cc(C)cc1C)C[C@@H](C)C#N 49899154 CKYNSUZDPPALEM-ZDUSSCGKSA-N 244.382 3.593 30 20 BHED CC[C@@H]1CCCN(c2ccc(F)cc2C#N)CC1 79343544 XSPKJYROYRBWAA-GFCCVEGCSA-N 246.329 3.714 30 20 BHED Oc1ccccc1/C=N\CCC1=CCCCC1 103010606 UQLMSYGTWFBSMS-VBKFSLOCSA-N 229.323 3.702 30 20 BHED C=CCC[C@@H](C)Nc1ccccc1N(C)C 126897069 YQZPBROWHYEEGD-GFCCVEGCSA-N 218.344 3.519 30 20 BHED C=C(C)CN[C@@H](C)c1ccc(OC(C)C)cc1 128479194 CYTGTQHAQMTJAJ-ZDUSSCGKSA-N 233.355 3.701 30 20 BHED C=CCC[C@@H](NC(=O)C1CCC1)c1ccccc1 133949271 QAGIKGVILHMXSJ-OAHLLOKOSA-N 243.350 3.610 30 20 BHED C=CCSc1cccc(Br)c1 135926851 PRXBWCVMIKNIIS-UHFFFAOYSA-N 229.142 3.727 30 20 BHED C[C@H]1C[C@H](C)CC[C@@H]1Nc1ccc(CC#N)cc1 221891318 CLSSUNMUTPZRPT-WWGRRREGSA-N 242.366 3.989 30 20 BHED CCC[C@@H](C)N(C)CCCCC(C)(C)C#N 233275684 LJIJLIWVWYAXFO-CYBMUJFWSA-N 224.392 3.827 30 20 BHED CN(c1ncccc1C#N)C1CCCCCCC1 301291018 TWMUBIJWGSCGKD-UHFFFAOYSA-N 243.354 3.502 30 20 BHED C=C(Cl)CN(CCCC)CCCC 302815420 UFJXTHCVHKUAHW-UHFFFAOYSA-N 203.757 3.641 30 20 BHED C=CC[C@H](C)N[C@@H]1C[C@@H](C)c2ccccc21 309313117 MRGKAGUIQODWAV-TYNCELHUSA-N 215.340 3.789 30 20 BHED C=C(C)CCNc1ccc(Cl)cc1OC 389902481 DEBVZLSATRAKDS-UHFFFAOYSA-N 225.719 3.727 30 20 BHED CCCCCCCN[C@@H](C)[C@@]1(C)CCCO1 393910987 BXZXITGACDQVHH-UONOGXRCSA-N 227.392 3.504 30 20 BHED C[C@@H](NCCCCC#N)c1ccc(C2CC2)cc1 419363368 VUIZSUVXDMAXFO-CYBMUJFWSA-N 242.366 3.908 30 20 BHED C=CCc1ccccc1OC[C@@H](F)CC 441823415 MDIMXFRUHIRPCD-LBPRGKRZSA-N 208.276 3.542 30 20 BHED C=CCC[C@@H](CC)NCc1ccc(C#N)c(F)c1 449737942 WFEKFNPIFXUSMY-CQSZACIVSA-N 246.329 3.532 30 20 BHED C=CCCC1(C(=O)N[C@H]2C[C@@]2(CC)C(C)C)CC1 457282371 NBBRJQBHHUNDOR-BBRMVZONSA-N 249.398 3.674 30 20 BHED C=CCC(CC=C)C(=O)N[C@@H](CC)C(C)(C)C 467531751 MHDXUAOLHBQJHQ-ZDUSSCGKSA-N 237.387 3.696 30 20 BHED C=CCCCC[C@H](C)N[C@H](C)[C@@H]1CCCOC1 507510945 NPZRUSFYZMTAAJ-RRFJBIMHSA-N 239.403 3.526 30 20 BHED C=CCCCCS[C@@H](C)c1cnccn1 515144986 KFLVNUBFIJLCCD-NSHDSACASA-N 222.357 3.627 30 20 BHED C[C@H](NCCC(C)(C)C)c1ccc(C#N)c(F)c1 539610296 UOJOUCYDVZRGFF-NSHDSACASA-N 248.345 3.784 30 20 BHED C=CCC(CC=C)C(=O)N1C[C@H](C)CC(C)(C)C1 542438027 HYFMQHWVDZGLKO-CYBMUJFWSA-N 249.398 3.649 30 20 BHED CCC1(CC)CCCN([C@H]2CC[C@H](C#N)C2)CC1 578528350 UYQMSOOVDIVPPE-GJZGRUSLSA-N 248.414 3.971 30 20 BHED C=CCCC(=O)N[C@H]1CCC[C@@H]1CCC(C)C 590030854 ZHAILPYKEGKKKY-KGLIPLIRSA-N 237.387 3.674 30 20 BHED C=CCCCCN(CCC#N)CC(C)(C)C 590696559 GITSDTCBYGSWTK-UHFFFAOYSA-N 222.376 3.604 30 20 BHED CC(C)CC(C)(C)CNC[C@H](C)CCC#N 602572779 NFBHPCWUBVUARA-CYBMUJFWSA-N 224.392 3.588 30 20 BHED C=CCC1(NC(=O)CCC2CCC2)CCCC1 619108450 WKTFOPBZQIZZBP-UHFFFAOYSA-N 235.371 3.572 30 20 BHED C=CC[C@@H](C)C(C)=NNc1ccc([N+](=O)[O-])cc1 727779708 QUXUKKPRCQZMQO-SNVBAGLBSA-N 247.298 3.595 30 20 BHED CC[C@@H](C)C=NNc1cc(F)c(F)cc1F 755729687 BUHZDJCQLJEERA-SSDOTTSWSA-N 230.233 3.548 30 20 BHED CCC(=NNc1cc(C)ccc1F)C(C)C 759667861 ZDTLSZSXCSZGJK-UHFFFAOYSA-N 222.307 3.968 30 20 BHED C=CC[C@H](N[C@@H](C)[C@@H](C)CC)c1ccncc1 766020089 MFMSMAGPINILPA-YDHLFZDLSA-N 232.371 3.723 30 20 BHED C#CC[C@@H](N[C@H](C)C1CCC1)c1ccccc1 773114768 JRTIXNZPAMSSTL-CZUORRHYSA-N 227.351 3.529 30 20 BHED Cc1cc(C=NOC2CCCCC2)c(C)o1 777459431 QTQICKCJIVJZKD-UHFFFAOYSA-N 221.300 3.580 30 20 BHED FC(F)(F)CCON=C1CCCCCC1 777461277 WXBWRXQCAYJAHY-UHFFFAOYSA-N 223.238 3.666 30 20 BHED CC(CSC(C)(C)C)=NOC/C=C\Cl 811672471 ZUVCOOHMXOEHKU-OOJWUIIBSA-N 235.780 3.663 30 20 BHED FCCC[C@@H]1CCCC1=NOCCC1CC1 814245710 DZBUSUXDMVQFES-LBPRGKRZSA-N 227.323 3.709 30 20 BHED N#C[C@@H]1CCC[C@@H](OC(=O)C2CCCCCC2)C1 839049136 HOJYAFPYHWPGEU-TZMCWYRMSA-N 249.354 3.582 30 20 BHED CCCON=C1CCC[C@H](c2cccnc2)C1 842550231 AKTRRPXPIVVRQL-LBPRGKRZSA-N 232.327 3.522 30 20 BHED CCCCCCCC(=O)OCc1cnsc1 861204775 OKJQMACPZIXNFU-UHFFFAOYSA-N 241.356 3.547 30 20 BHED C=C1CC(c2noc([C@@H]3C[C@]3(C)C(C)C)n2)C1 896884646 STFRAUIKKWMPLD-SMDDNHRTSA-N 232.327 3.653 30 20 BHED Cc1ccc(C=NNc2ccc(F)cc2)cc1C 915934499 GFFUCLFLXWHUDM-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C=C(C)CCN[C@@H](C)c1cc2ccccc2[nH]1 926517772 FFQFMXRJWFLUPH-LBPRGKRZSA-N 228.339 3.785 30 20 BHED CC[C@H](C)[C@H]1CCCCN1C[C@@H](C)CCC#N 1651903430 WFENSHIOOHIYCC-SOUVJXGZSA-N 236.403 3.827 30 20 BHED Cc1ccccc1/C=C/C(=O)c1ccc(C#N)cc1 16405942 ACDXTSCGSURPRA-ZHACJKMWSA-N 247.297 3.763 30 20 BHED Cc1c(C#N)c(C(C)C)nc2ccccc12 48607386 WDLMNBCTBMXZFH-UHFFFAOYSA-N 210.280 3.538 30 20 BHED N#Cc1c(Cl)cccc1N1CCCCCCC1 48935690 XLFVONRCKMZFBQ-UHFFFAOYSA-N 248.757 3.982 30 20 BHED CC1(C)CCC[C@H]1Nc1ccc(C#N)cc1 86831423 IOBUABQZKHVILJ-CYBMUJFWSA-N 214.312 3.549 30 20 BHED CC(C)(C)N(CCCCC#N)Cc1ccccc1 130489831 VVPUPGOGQLCPKO-UHFFFAOYSA-N 244.382 3.981 30 20 BHED CCC[C@@H](C)[C@@H]1CCCN1CCCCC#N 135327652 BFFOTEPVTHOFQB-KGLIPLIRSA-N 222.376 3.581 30 20 BHED C=CCCOc1ccccc1OCC(F)(F)F 156970870 BMJTXAWNVMNWKV-UHFFFAOYSA-N 246.228 3.583 30 20 BHED CCc1ccc(/C=C\C(=O)c2cccnc2)cc1 210332196 MDPHODPDDFBWPG-KTKRTIGZSA-N 237.302 3.540 30 20 BHED CCCCCCCCN[C@H]1C[C@H](C)O[C@H](C)C1 250832747 SDFDFIULRJCKBF-QDMKHBRRSA-N 241.419 3.893 30 20 BHED C/C=C\CSCc1cc(C#N)ccc1F 255472563 AOVCBONQYDRCBS-IHWYPQMZSA-N 221.300 3.507 30 20 BHED CCCN(CCCCC#N)Cc1ccc(F)cc1 263815721 OIIYVEDFYSDVCY-UHFFFAOYSA-N 248.345 3.732 30 20 BHED C[C@H]1CC[C@H](Nc2nccc(C#N)c2Cl)CC1 300265677 LQZCCEATARBLFK-HOMQSWHASA-N 249.745 3.597 30 20 BHED CCCC[C@@H](CC)NCC(C)(C)CCC#N 310009275 HZHFUUINTPVMFK-CYBMUJFWSA-N 224.392 3.875 30 20 BHED C=C(CC)CN[C@H]1CCC[C@@H](C(F)(F)F)C1 313476867 BHJPVTXEEKCREX-MNOVXSKESA-N 235.293 3.663 30 20 BHED C=C(CC)CN[C@H](C)c1cc(C)ccc1OC 313479698 HRJARGFDUQOSEC-CYBMUJFWSA-N 233.355 3.620 30 20 BHED CC1=CCC[C@@H](C)[C@H]1CNCC(C)(C)CCC#N 342305533 VVMWYWOCBUUDPQ-CABCVRRESA-N 248.414 3.898 30 20 BHED C=CCCC(=O)N1CCC(C)(C)c2ccccc21 346176823 RTZIKTJLXGPIOA-UHFFFAOYSA-N 243.350 3.667 30 20 BHED C=CCCCC[C@@H](C)N[C@H](C)c1cnn(C)c1C 352930854 UQBYTKAVVUSIJS-CHWSQXEVSA-N 249.402 3.514 30 20 BHED C=CC[C@@H](CC)N[C@H](C)c1ccc(F)c(F)c1 393759504 VMCNGKWZPGKGMP-ZYHUDNBSSA-N 239.309 3.970 30 20 BHED CC(C)c1ccc(CN(C)[C@H](C)CCC#N)cc1 411162927 YRQQZVRZXCLICO-CQSZACIVSA-N 244.382 3.934 30 20 BHED CC(C)[C@H]1CCCN(c2ccc(C#N)cc2F)C1 443982045 CTHLEARZDBACPH-ZDUSSCGKSA-N 246.329 3.570 30 20 BHED C=CC[C@H](CC)NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 451421220 NYTNYMFGGNGNHF-SYQHCUMBSA-N 237.387 3.530 30 20 BHED CC[C@@H](Cc1ccccc1)NCC(C)(C)CC#N 459738058 XILGOGHSFURPBO-HNNXBMFYSA-N 244.382 3.537 30 20 BHED C=C[C@H](C)NC(=O)[C@H](CC)CC1CCCCC1 465143114 FCGVQFAMONTGSG-GXTWGEPZSA-N 237.387 3.674 30 20 BHED C=CC[C@H](CC)NC(=O)C(C)(C)CC(C)C 466540496 PCIZYKDUXJBZKV-LBPRGKRZSA-N 225.376 3.530 30 20 BHED C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@@H](C)C[C@@H](C)C1 467998074 JQWCTSRNNZTLRJ-UKTARXLSSA-N 237.387 3.530 30 20 BHED CC(C)[C@@H]1CCC[C@H](Nc2cc(C#N)ccn2)C1 553033721 HAEQSZXZOZQSFG-KGLIPLIRSA-N 243.354 3.580 30 20 BHED C=CCC(C)(C)CNC(=O)[C@H]1CC[C@H](C)CC1 573093535 GWDQUUQVXXHLIE-JOCQHMNTSA-N 237.387 3.531 30 20 BHED C=CCCN1CCC[C@H]1c1cccc(C)c1 606897149 VHUJEBSZVYLGPK-HNNXBMFYSA-N 215.340 3.708 30 20 BHED C=CCCN1CCS[C@H](C)[C@H]1c1ccccc1 606898092 HLONWDIJGTWPBK-HIFRSBDPSA-N 247.407 3.741 30 20 BHED C=CCCCSCc1ccccc1C#N 609804214 FIOBILZJFQAGJX-UHFFFAOYSA-N 217.337 3.758 30 20 BHED C=CCCN[C@H]1CC[C@@H](Cc2ccccc2)C1 657583821 QVDKGNCXEGPRDE-HOTGVXAUSA-N 229.367 3.564 30 20 BHED Cc1ccnc(NN=C2CCC[C@@H]2C(C)C)c1 747763486 GSBZTMOZLVCGJV-GFCCVEGCSA-N 231.343 3.614 30 20 BHED C#CCCSCc1ccc(C)c(C)c1 751786526 OUVBIHVEQDBUJS-UHFFFAOYSA-N 204.338 3.560 30 20 BHED CCCCc1ccc(N(C)CC2(C#N)CC2)cc1 767120932 XSUCTTCNPBOAHY-UHFFFAOYSA-N 242.366 3.769 30 20 BHED CCON=C1C[C@H](c2ccccc2)C1(C)C 768484436 ZZECKKWZQHAVAJ-GFCCVEGCSA-N 217.312 3.593 30 20 BHED CC(C)CNN=Cc1ccc(-c2ccccc2)o1 771568330 YOESIOZCIMKNCR-UHFFFAOYSA-N 242.322 3.526 30 20 BHED C[C@@H]1CCCC[C@@H]1C=NNc1ccccc1 783771586 FNKWVOWYOSRXTF-CHWSQXEVSA-N 216.328 3.911 30 20 BHED CC[C@@H]1CC[C@H](C)CC1=NNc1ccccn1 797399895 IDKMZQMLFFAREF-NWDGAFQWSA-N 231.343 3.696 30 20 BHED CCCCCCCCN[C@H](C)c1cc(C)on1 800492334 ILZUENYVWWEOPA-CYBMUJFWSA-N 238.375 3.994 30 20 BHED C=CCCCCCCCCNC(=O)[C@H]1C[C@@H]1C 805277350 APRIYIXCOMXWBC-KBPBESRZSA-N 237.387 3.675 30 20 BHED CCCC(=NNCCC(C)(C)C)c1ccccn1 814901437 NGSIGTMPBASISJ-UHFFFAOYSA-N 247.386 3.612 30 20 BHED CC(C)(C)[C@H]1CC(=NOCCC2CC2)CS1 814941102 BSQBCQIBCQMKBA-GFCCVEGCSA-N 241.400 3.711 30 20 BHED Cc1cccc(CN(CCC#N)CC(C)C)c1F 823382717 OLTLTFDPUGLXJV-UHFFFAOYSA-N 248.345 3.506 30 20 BHED C=CCC1(NCc2ccc(F)nc2)CCCCC1 825024504 QCVUOFWABBBRBW-UHFFFAOYSA-N 248.345 3.589 30 20 BHED C=CCCCCCCNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12 831993946 YHXNNBHSWIGZAL-ILXRZTDVSA-N 249.398 3.675 30 20 BHED CC(CC(C)(C)C)=NNc1cc(C)ccn1 834964438 MCWWOXHMFPYZJF-UHFFFAOYSA-N 219.332 3.614 30 20 BHED CC(=NOCC(F)(F)F)[C@@H]1CCCC[C@@H]1C 834965414 OYSAILGEALQLNG-WCBMZHEXSA-N 237.265 3.768 30 20 BHED Cc1cccc(NN=C2CCCC23CCCC3)n1 863160588 LANYLKZFMLTMGG-UHFFFAOYSA-N 243.354 3.902 30 20 BHED CC[C@@H]1CCC[C@@H](Nc2cc(C)c(C#N)cn2)C1 1639501518 HUTLLBOEDOMMRN-TZMCWYRMSA-N 243.354 3.642 30 20 BHED CC1(C)CCCN(CC2CCCCCC2)[C@H]1C#N 1654372676 UVRSTDIKHASIEQ-HNNXBMFYSA-N 248.414 3.971 30 20 BHED C#Cc1cccc(NC[C@H](C)CCC)c1 21815114 IBFIFCINHKIQJH-GFCCVEGCSA-N 201.313 3.516 30 20 BHED C=CC1CCN(C(=O)[C@H](CC)CCCC)CC1 110365767 ZGJRJZINHBYKGZ-CQSZACIVSA-N 237.387 3.627 30 20 BHED C=CCCC[C@H](C)N[C@H](C)c1cncs1 133078031 UUIAINXZRFULDG-WDEREUQCSA-N 224.373 3.539 30 20 BHED C=C[C@@H](C)NC1CC(c2cccc(Cl)c2)C1 164032960 MOEOBQNAUNEZFN-PWQPVHBWSA-N 235.758 3.750 30 20 BHED C#CCCCCC(=O)N1CCC[C@@H]1[C@H](C)CCC 180410414 LFSUBXBUNZTJEU-HUUCEWRRSA-N 249.398 3.607 30 20 BHED N#CCCCCN[C@@H]1CCSc2ccccc21 182254752 UYGLFTGXRCGVPJ-CYBMUJFWSA-N 246.379 3.507 30 20 BHED C=CCSc1nccn1-c1ccc(C)c(C)c1 248171838 WQWBAHCGIPRNFZ-UHFFFAOYSA-N 244.363 3.767 30 20 BHED Cc1ccc(/C=C\C(=O)c2ccco2)c(C)c1 254968041 KBGCVNDDMYXACL-FPLPWBNLSA-N 226.275 3.793 30 20 BHED N#CCCCN1CCCC[C@@H]1c1ccccc1 273845426 KFVHRCDISKOGDW-OAHLLOKOSA-N 228.339 3.517 30 20 BHED CCCOc1ccccc1NCCC(C)(C)C#N 288753804 RGOTXMVDRCWAEW-UHFFFAOYSA-N 246.354 3.827 30 20 BHED C=C[C@](C)(CC)c1nc([C@H](C)SCC)no1 290198115 XDEOUIGUVZSGSW-JOYOIKCWSA-N 240.372 3.737 30 20 BHED C=CCCCCNC(C1CCC1)C1CCC1 309280614 HSKUBOBEQFYSLA-UHFFFAOYSA-N 221.388 3.901 30 20 BHED C#Cc1cccc(N[C@@H](C)CCC2CC2)c1 309772360 OWBYJBJRFPKJBN-LBPRGKRZSA-N 213.324 3.659 30 20 BHED CC#CCN[C@@H](CC1CCC1)c1ccccc1 344321735 JRHKUGVJYJWPGH-INIZCTEOSA-N 227.351 3.531 30 20 BHED CSc1ccccc1CSCC1(C#N)CC1 358295060 OLODZYHAARCBSC-UHFFFAOYSA-N 249.404 3.945 30 20 BHED C=C(CC)CSC[C@H]1CC1(Cl)Cl 379312323 YTVKONJBIGKNIC-MRVPVSSYSA-N 225.184 3.880 30 20 BHED CCCC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@H](C#N)C1 424336395 XXGDVWVRGDNKMD-YJNKXOJESA-N 234.387 3.627 30 20 BHED Cc1cc(CN[C@@H]2CCC(C)(C)C2)ccc1C#N 443999667 BNWGEUUVXIFZND-OAHLLOKOSA-N 242.366 3.535 30 20 BHED C=CCC1(C(=O)N2CC[C@@H](C)[C@@H](C)C2)CCCC1 450326684 ZBVWKKJEMCSADW-KGLIPLIRSA-N 249.398 3.627 30 20 BHED C=CC(C)(C)CN[C@@H](C)c1ccc(CC)o1 453315376 ZFDQSZFXFMLTJH-NSHDSACASA-N 221.344 3.705 30 20 BHED C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCC(C)(C)C1 464499227 SGKJTNKUJMCQFE-SWLSCSKDSA-N 237.387 3.626 30 20 BHED CC#CCCN[C@H]1CCC[C@H]1c1ccc(C)cc1 482159978 ZOVMTFHMKJIOMP-IRXDYDNUSA-N 241.378 3.634 30 20 BHED C=C[C@H]1CCCCN1Cc1ccc(OCC)cc1 489501647 VBFAZAGROCDANU-HNNXBMFYSA-N 245.366 3.626 30 20 BHED C=CCCN[C@H](C)c1cc2cccc(F)c2o1 530552984 PIQWNHTYYNCESD-SNVBAGLBSA-N 233.286 3.799 30 20 BHED C=CCC(C)(C)c1noc(C[C@@H]2C=CCCC2)n1 560025114 OEDXZJYRRKBQQQ-GFCCVEGCSA-N 246.354 3.822 30 20 BHED CC[C@@H](SCC#CCOC)c1ccccc1 611193161 SXFQKXROTRYEGS-CQSZACIVSA-N 234.364 3.521 30 20 BHED CC[C@@H](NC[C@H](C)C1CC1)c1ccc(C#N)cc1 618566863 JUOUHDYMHCIYLR-BLLLJJGKSA-N 242.366 3.645 30 20 BHED C=CC[C@@H](CC)Nc1nc(-c2ccccc2)no1 685919201 CRAUSMGEFOIZRV-GFCCVEGCSA-N 243.310 3.503 30 20 BHED C[C@@H]1CCCC1=NNc1nccc2sccc12 729142190 NQGQLKSGXYVLJQ-SECBINFHSA-N 245.351 3.884 30 20 BHED C=CCCCOC(=O)c1cc2ccc(C)cc2[nH]1 735524402 NAFSCOYULRCMEF-UHFFFAOYSA-N 243.306 3.599 30 20 BHED C[Si](C)(C)CSc1ccc(C#N)cc1F 741857821 BEAZTQKHNXCFFW-UHFFFAOYSA-N 239.391 3.667 30 20 BHED C=C(C)CCOC(=O)c1cccc(C(F)F)c1 744300255 UOQKSFKPPNZNOS-UHFFFAOYSA-N 240.249 3.747 30 20 BHED C[C@H]1CCC(=NOCCC(F)(F)F)C[C@@H]1C 777455593 JUUNNNNTZSUZBC-IUCAKERBSA-N 237.265 3.768 30 20 BHED CC(C)(C)CCNN=C1CCC[C@@H](C2CC2)C1 782908176 QXIMIKPDRGKMEY-CYBMUJFWSA-N 236.403 3.968 30 20 BHED Cc1ccc(NN=C2CCCC23CCCC3)nc1 814831664 LPRDNUZQXRJZLK-UHFFFAOYSA-N 243.354 3.902 30 20 BHED Cc1cccc(F)c1NN=C1CC[C@@H](C)C1 814905132 PCGAFSFCCZQHDL-SECBINFHSA-N 220.291 3.722 30 20 BHED C=CCCCCC[C@H](C)N[C@H](CC)C(C)(C)O 815652291 WMDGMBAGBVUXBO-UONOGXRCSA-N 241.419 3.651 30 20 BHED CCOc1ccc(S[C@H]2CC[C@@H](C#N)C2)cc1 828911054 IERWBHMNEDZERY-RISCZKNCSA-N 247.363 3.870 30 20 BHED C=CCCC(=O)CSc1ccc(C)s1 830052922 UVDHHVOOVYCYDB-UHFFFAOYSA-N 226.366 3.684 30 20 BHED C=CCCC[C@@H](C)OC(=O)c1cccc(CC)n1 835271694 ZHRMPKBLFJOKBM-GFCCVEGCSA-N 247.338 3.546 30 20 BHED C=CC[C@H]1CCCCC1=NNc1ccc(F)cn1 853305043 MBOUKUBBLXYPDL-NSHDSACASA-N 247.317 3.755 30 20 BHED C[C@H]1CCCCN1N=Cc1ccsc1Cl 853378922 FCVIQYCCINZHJH-VIFPVBQESA-N 242.775 3.610 30 20 BHED FC(F)(F)c1sccc1C=NOCC1CC1 863115221 HGZSQZFZNQANTM-UHFFFAOYSA-N 249.257 3.527 30 20 BHED C[C@@H](NN=C[C@@H]1CC=CCC1)c1ccccc1 920385268 AIUZSIUKCKMHAR-ZIAGYGMSSA-N 228.339 3.679 30 20 BHED N#Cc1cc(F)cc(N[C@H]2CC[C@H]2C2CCC2)c1 1462501763 DDADIQXNHVFRRD-GJZGRUSLSA-N 244.313 3.688 30 20 BHED N#CCCSCc1cccc2ccccc12 58486125 UPJJSEWTHFCSBD-UHFFFAOYSA-N 227.332 3.987 30 20 BHED CCCCCCCC(=O)Nc1cc(C)ccc1O 105393542 UMHXUEVQKWYOKQ-UHFFFAOYSA-N 249.354 4.000 30 20 BHED C=CCCN(C)[C@H](C)c1ccc(C)cc1 132550740 MZWUSSWSGIAVEW-CYBMUJFWSA-N 203.329 3.564 30 20 BHED C=C(Cl)CNC(=O)CCCC1CCCCC1 134821178 RAQXRNTYUPFVQN-UHFFFAOYSA-N 243.778 3.606 30 20 BHED C=C(C)CN[C@H]1CCCC[C@H]1C(C)(C)C 160634077 BZXSEIXRMRLHJY-OLZOCXBDSA-N 209.377 3.757 30 20 BHED CC[C@H](NCc1ccc(C#N)s1)C(C)(C)C 165227586 CVDBNYMKXXKDOD-LBPRGKRZSA-N 236.384 3.534 30 20 BHED C=C(C)CN(C)C(=O)C(C)(C)CCCCC 180448870 YVWLDMJSELNTIM-UHFFFAOYSA-N 225.376 3.627 30 20 BHED C=C(C)CN(CC)[C@@H](C)c1cccc(C#N)c1 189768922 AFXSXRKAQGRZHJ-ZDUSSCGKSA-N 228.339 3.517 30 20 BHED C[C@@H](Oc1ccccc1F)c1ccc(C#N)cc1 194621811 NBJWLERAARVNHP-LLVKDONJSA-N 241.265 3.837 30 20 BHED N#CCCCCNCc1csc2ccccc12 237816628 YWTLHPXYEBGVPD-UHFFFAOYSA-N 244.363 3.685 30 20 BHED N#C[C@@H]1CC[C@@H](N2CCC[C@H]2c2cccs2)C1 278591582 LCAKJWRDZFSTOB-UPJWGTAASA-N 246.379 3.577 30 20 BHED C=CC[C@@H](C)N[C@@H](c1ncc[nH]1)C1CCCCC1 285930303 CVOXUOUSTCCJCE-TZMCWYRMSA-N 247.386 3.585 30 20 BHED C=CCC[C@@H](NCc1nccs1)c1ccco1 285998469 IMCAPVYKHUQFCN-LLVKDONJSA-N 248.351 3.533 30 20 BHED C#C[C@@H](N[C@@H](C)CSC(C)(C)C)C(C)(C)C 309555048 JLKWGXPFPCJSFY-NWDGAFQWSA-N 241.444 3.544 30 20 BHED C=CCN[C@H](c1cccc(C)c1)C(C)(C)C 309703615 NNQOBGYCLZSKGY-CQSZACIVSA-N 217.356 3.858 30 20 BHED C=CC[C@H](CC)N[C@@H](C)c1cccc(F)c1 310042713 ZPRQTBCPFAMIPA-FZMZJTMJSA-N 221.319 3.831 30 20 BHED N#CCc1cccc(NCc2ccccc2F)c1 313499906 VPNPLIVGDSLAMX-UHFFFAOYSA-N 240.281 3.504 30 20 BHED N#CC1(/C(O)=N/C2CCC3(CC2)CC3)CCCC1 329960933 RIQPFDYSHDCNIS-UHFFFAOYSA-N 246.354 3.750 30 20 BHED CC(C)(C#N)CCCCN1CC[C@@H]2CCC[C@H]21 378743216 HZKMQZJJQJOJOY-UONOGXRCSA-N 234.387 3.581 30 20 BHED CC(C)CN(CCC#N)C[C@H]1CCC[C@H](C)C1 383432175 BZVINAYVOUXNHU-GJZGRUSLSA-N 236.403 3.684 30 20 BHED C=CCCCC(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C 412826217 QHFWNALPACOROR-QWHCGFSZSA-N 237.387 3.674 30 20 BHED C=CCCCSc1ccc2[nH]ncc2c1 413018044 LGPAFGJTRAUPLN-UHFFFAOYSA-N 218.325 3.621 30 20 BHED C=C(C)CNC(=O)Nc1ccc(CCCC)cc1 429200412 DFSYDKGRZULHLA-UHFFFAOYSA-N 246.354 3.727 30 20 BHED CCC[C@H](CC)NCc1ccc(C#N)c(C)c1 443989114 KIYKBXHCWVDANJ-HNNXBMFYSA-N 230.355 3.535 30 20 BHED CCCC[C@@H](C)[C@H](C)NCC(C)(C)CC#N 459729604 KFBMNVIQVSDXPM-OLZOCXBDSA-N 224.392 3.731 30 20 BHED Clc1ccc(C#CCSCC2CC2)cc1 460871357 ZYOSIFAAWSLZDI-UHFFFAOYSA-N 236.767 3.835 30 20 BHED C=CCC[C@H](CCC)N[C@H](C)Cc1ccncc1 462115477 GSXQPFCOMRUAAE-ZBFHGGJFSA-N 246.398 3.737 30 20 BHED C=C[C@@](C)(CC)C(=O)NCC(C(C)C)C(C)C 469811004 OKEXBZSOAIQCJG-HNNXBMFYSA-N 239.403 3.633 30 20 BHED C=CCC(C)(C)CNC(=O)C1(CC(C)C)CC1 489743791 SWJKTIYWJWCLRG-UHFFFAOYSA-N 237.387 3.531 30 20 BHED C=C(C)CCN[C@@H]1CCC[C@@H]1Cc1ccccc1 510775717 FSIYTKDXGIMZMR-IAGOWNOFSA-N 243.394 3.954 30 20 BHED C=CCC[C@H](CC)N[C@H]1[C@@H]2c3ccccc3C[C@H]21 520290185 WPGYQITZVFERBL-RKTXRCNFSA-N 241.378 3.659 30 20 BHED C=CCCC(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C 580913718 SWQQKSFPVTYYQX-CHWSQXEVSA-N 237.387 3.626 30 20 BHED C=CC[C@H](CC)Nc1ccnc2nc(C)ccc12 583017522 BCCDXOIYAPFKLJ-LBPRGKRZSA-N 241.338 3.705 30 20 BHED Cc1ccc(CN(CCCC#N)C(C)(C)C)cc1 599527095 DKKAZTITEKJOMJ-UHFFFAOYSA-N 244.382 3.899 30 20 BHED C=CCCC[C@@H](C)N[C@@H]1CCCc2ncccc21 631606328 ICPBDMBMVYUIJN-CZUORRHYSA-N 244.382 3.793 30 20 BHED C=CCC[C@@H](NC1CC2(CCC2)C1)C1CC1 652327602 CCQSGDGRKZMGBC-CQSZACIVSA-N 219.372 3.654 30 20 BHED CCC[C@@H]1CCCN(c2cccc(F)c2C#N)C1 708521420 YDMQICQLAQSQLC-GFCCVEGCSA-N 246.329 3.714 30 20 BHED CCCCCC[C@H](C)NN=C(C)c1ccccn1 743450759 PUTDXRUZNDYNHO-ZDUSSCGKSA-N 247.386 3.754 30 20 BHED c1ccc(NN=C2CCc3ccccc3C2)cc1 745843220 CMZZWYNULJOLHV-UHFFFAOYSA-N 236.318 3.643 30 20 BHED CC[C@@H](C)C(C)=NNc1ccc(OC)cc1 750921948 LYUUKMAAWRRZDO-SNVBAGLBSA-N 220.316 3.529 30 20 BHED C=CCC[C@@H](C)Nc1ccc2c(c1)C[C@H](OC)C2 757872533 CVEQACRAOBWUFQ-MLGOLLRUSA-N 245.366 3.567 30 20 BHED CCC(=NOCC(F)F)C1CCCCC1 758899826 OESSHKWSAKJYEO-UHFFFAOYSA-N 219.275 3.614 30 20 BHED C[C@H]1CCCC[C@H]1C=NOC1CCCC1 783860105 VILSXUOVXGTDBZ-RYUDHWBXSA-N 209.333 3.758 30 20 BHED CC1(C)CCC(C=NNc2ncccc2F)CC1 794991252 XWSBDQBKEUDLQD-UHFFFAOYSA-N 249.333 3.835 30 20 BHED CCC(CC)CNN=C1CCC(C(F)F)CC1 799484385 CPQHNAQSVKOJIC-UHFFFAOYSA-N 246.345 3.824 30 20 BHED Cl/C=C/CON=Cc1ccc2occc2c1 811669909 WJSYGXSWGGQGGS-QCLYPVGMSA-N 235.670 3.536 30 20 BHED CCCC[C@@H]1CCCC1=NOCC1CC1 814245349 XSVFRWWADDISIM-GFCCVEGCSA-N 209.333 3.759 30 20 BHED CC[C@H](C)CC=NOCc1ccccc1 834938672 LCWTYCYRJFWRPD-LBPRGKRZSA-N 205.301 3.625 30 20 BHED CC[C@H](OC(=O)CCCCCC#N)[C@H](C)CC 835586297 ACXMYVMHIAPICS-OLZOCXBDSA-N 239.359 3.828 30 20 BHED C=CCC(C)(C)C(=O)O[C@H](CC)c1ccncc1 839448866 MQMBDRPNACBWRW-CYBMUJFWSA-N 247.338 3.678 30 20 BHED FC(F)(F)CCON=C1CCC(F)(F)CC1 842531095 GVIPHKDHVURRIG-UHFFFAOYSA-N 245.191 3.521 30 20 BHED C[C@@H]1CCCCCC1=NN[C@H](C)c1ccncc1 844602476 SGVRNGFUKLSOBN-CHWSQXEVSA-N 245.370 3.688 30 20 BHED Cc1ccc(F)cc1NN=C[C@@H]1CC=CCC1 853393351 CTHHDHGLKCPQOK-GFCCVEGCSA-N 232.302 3.888 30 20 BHED CC[C@H]1CCCC1=NNc1ccnc(Cl)c1 853395255 QMDMLOZBHVJFAB-VIFPVBQESA-N 237.734 3.713 30 20 BHED C=C(C)CCC(=O)N(C)c1cccc(C)c1C 1120872992 ZCYAUWUKGHHNJL-UHFFFAOYSA-N 231.339 3.623 30 20 BHED C=CCC[C@H]1CCCN1C(=O)CC1CCCC1 1262809810 QBEABPDYQMPMQC-AWEZNQCLSA-N 235.371 3.524 30 20 BHED Cc1ccc(C#N)c(Sc2ccc(C)s2)n1 1612488382 SDVMGQXTIYYSDS-UHFFFAOYSA-N 246.360 3.783 30 20 BHED CC(C)CC[C@@H]1CCC[C@H]1NCC1(C#N)CCC1 1665027421 LSYMNTCZRSNDSP-LSDHHAIUSA-N 248.414 3.875 30 20 BHED Cc1cccc(NCc2cc(C#N)ccc2F)c1 20034707 YJPNFHVZYNTOFF-UHFFFAOYSA-N 240.281 3.618 30 20 BHED CCCCCC[C@H](C)NCCCCC#N 42222754 BKHBYWOTZNZWOB-ZDUSSCGKSA-N 210.365 3.629 30 20 BHED N#CCCSc1nc(-c2ccccc2)cs1 69199879 DHSDVVLVYLLMGD-UHFFFAOYSA-N 246.360 3.816 30 20 BHED C[C@H]1Cc2ccccc2N(CCC(C)(C)C#N)C1 87595631 LWTBXESBHURABM-ZDUSSCGKSA-N 242.366 3.625 30 20 BHED C=C(C)COCCN[C@H](C)c1cc(C)cc(C)c1 163508426 IUIFFTNVGFWOSG-OAHLLOKOSA-N 247.382 3.547 30 20 BHED C=C[C@H](C)NC1CC(c2cccc(Cl)c2)C1 164032848 MOEOBQNAUNEZFN-JKDOVBDQSA-N 235.758 3.750 30 20 BHED C=CCN(C(=O)CCC1CCC1)c1ccccc1 175476529 SPOZQYWQJHVXCX-UHFFFAOYSA-N 243.350 3.786 30 20 BHED C=CCC[C@@H](C(=O)N(CC)CC)c1ccccc1 189399964 OQBPPWQXJXRRHV-OAHLLOKOSA-N 245.366 3.605 30 20 BHED CC1(C)OB(C/C=C/c2ccccc2)OC1(C)C 195965932 KRBDLBBKFWUBQY-DHZHZOJOSA-N 244.143 3.792 30 20 BHED C=C[C@@H](CC(=O)N(CC)CCC)c1ccccc1 270242269 KNSOLSFBOIDORX-AWEZNQCLSA-N 245.366 3.605 30 20 BHED CC(C)(C)SCCNc1ccc(C#N)cc1 301150728 MTNRAILYFONAFU-UHFFFAOYSA-N 234.368 3.502 30 20 BHED CC(=O)c1ccc(C#N)c(NCCCC(C)C)c1 302079138 BDYQHVHZUHGBSJ-UHFFFAOYSA-N 244.338 3.609 30 20 BHED C=CCCCCCn1nc(C#N)c2ccccc21 432475623 GUYBICVGCZHQAK-UHFFFAOYSA-N 239.322 3.654 30 20 BHED C=CCCCCCN1CCC[C@](C)(OC)CC1 483010216 FUEDGJHQDFRPJV-HNNXBMFYSA-N 239.403 3.624 30 20 BHED C=CCCCCN[C@@H](C)[C@H](OC)c1ccccc1 494786641 GGFDWUNXEPDAPG-HOCLYGCPSA-N 247.382 3.709 30 20 BHED C=CCNC(=O)[C@H](CC1CCCCC1)C(C)C 522363197 XZMVLNCVDNAUJC-CQSZACIVSA-N 237.387 3.531 30 20 BHED CC[C@@H](c1ccccc1)N(CC#N)CC(C)C 533063830 WQSGXWARCSOACG-HNNXBMFYSA-N 230.355 3.619 30 20 BHED N#CCCCS[C@H]1CCc2ccccc2C1 583273809 BZDLTJUSCPGYPQ-AWEZNQCLSA-N 231.364 3.581 30 20 BHED C=CCNC(=O)C[C@H](C)c1ccc(C(C)C)cc1 606345006 LGAWLLKSWSPTMW-ZDUSSCGKSA-N 245.366 3.606 30 20 BHED C=C(C)C(C)(C)C(=O)N1C2CCCC1CCC2 644951093 MXVMXQUTNJGKCM-UHFFFAOYSA-N 235.371 3.522 30 20 BHED C=C[C@@H](C)NC(=O)c1cc2cccc(C)c2s1 673606205 BYQPNGIZZACNGU-SNVBAGLBSA-N 245.347 3.514 30 20 BHED C#CCCCC(=O)O[C@H](C)c1c(C)cccc1C 758905297 PLVGDUZIXOQJOO-CQSZACIVSA-N 244.334 3.711 30 20 BHED C=C(CC)CSCc1ccnc(Cl)c1 773290609 PVXIBWLSYMNRPE-UHFFFAOYSA-N 227.760 3.934 30 20 BHED C=C(CC)COC(=O)[C@H](c1ccccc1)C1CC1 773545131 IIXOCPNGZWVUGG-OAHLLOKOSA-N 244.334 3.690 30 20 BHED CC(C)CN(CCC#N)Cc1ccc(CF)cc1 777588937 MKLXBMXYEQBSOB-UHFFFAOYSA-N 248.345 3.528 30 20 BHED N#C[C@H]1CC[C@@H](Nc2ccc3ccccc3c2)C1 799720353 GEKIPVMMCFQPOM-SWLSCSKDSA-N 236.318 3.944 30 20 BHED CCCOc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1 799723054 YKTYBARCXBPLGT-OCCSQVGLSA-N 244.338 3.580 30 20 BHED C=CCCCCOC(=O)[C@@H](SCC)C(C)C 811011629 GCQGRIVXENBYKT-LBPRGKRZSA-N 244.400 3.664 30 20 BHED FC(F)(F)CNN=C1CCC2(CCCC2)CC1 811647618 UCCUXOUBTRUZGZ-UHFFFAOYSA-N 248.292 3.629 30 20 BHED CCCC[C@@H](C)C(C)=NOC/C=C/Cl 811670622 WXQSIZOJXIEQOA-XYXWJLOOSA-N 217.740 3.958 30 20 BHED C[C@H]1CCC(=NNc2ccccc2Cl)C1 814690927 FNHSCJVLNIPBFZ-VIFPVBQESA-N 222.719 3.928 30 20 BHED C=CC(C)(C)CN[C@H](C)c1ccc(Cl)nc1 834883718 PGDQCLUCQUHIDM-SNVBAGLBSA-N 238.762 3.598 30 20 BHED CC(C)CC(CC(C)C)C(=O)OCCCC#N 835265013 MCINBKJMYLCGPB-UHFFFAOYSA-N 239.359 3.542 30 20 BHED C=CC[C@H]1CCCCC1=NOCC(F)(F)F 853321338 LLHMLEZZISKSSA-VIFPVBQESA-N 235.249 3.688 30 20 BHED C[C@@H](CCC#N)CN1CCCC2(CCCC2)C1 877462171 LKNQHIJDCPQGFR-AWEZNQCLSA-N 234.387 3.582 30 20 BHED CCO[C@H](C)Sc1ccc(Cl)cc1C#N 901506820 BFBOZKMBUMQLLO-QMMMGPOBSA-N 241.743 3.686 30 20 BHED C=CCC[C@@H](NC/C=C\Cl)c1ccco1 903443149 CCJOFAHCMDVFDS-UIJKISKDSA-N 225.719 3.629 30 20 BHED CCC(=NNc1ccccc1)c1ccccc1 916245951 ORBXYMVLIVVPLZ-UHFFFAOYSA-N 224.307 3.913 30 20 BHED CC(=NNc1ccccc1Cl)C(C)C 916262836 QAUQKIUNZDCYEA-UHFFFAOYSA-N 210.708 3.784 30 20 BHED Cc1ccc(C)c(NN=Cc2ccccc2F)c1 916345594 ICVMZUCQEABKMW-UHFFFAOYSA-N 242.297 3.889 30 20 BHED C=CCN(C(=S)Nc1ccc(C)cc1)C(C)C 917589188 KDTHIWKGWLTKLM-UHFFFAOYSA-N 248.395 3.588 30 20 BHED CC[C@H](C)[C@H](CC)OC(=O)C(C#N)(CC)CC 1122976566 GVHIXGXVRPJTFK-RYUDHWBXSA-N 239.359 3.684 30 20 BHED CC1(C)CCC(C)(CN[C@@H]2CC[C@H](C#N)C2)CC1 1182396850 KNVRLIVOGXSWIA-UONOGXRCSA-N 248.414 3.875 30 20 BHED C=C(C)CCC(=O)N(C)c1ccc(SC)cc1 1338846547 IJQFHIABSYBIFD-UHFFFAOYSA-N 249.379 3.728 30 20 BHED O=[N+]([O-])c1ccc(NN=C2CCCCCC2)cc1 36274852 WCYFODLKUTVBBF-UHFFFAOYSA-N 247.298 3.717 30 20 BHED N#Cc1ccc(N2CCC[C@H]2C2CCCC2)cc1 44351047 JIGLAILOQQMSRO-INIZCTEOSA-N 240.350 3.717 30 20 BHED CC[C@H]1CCCN(c2ccc(Cl)cc2C#N)C1 52859615 NXRVUSKDHFDTPD-NSHDSACASA-N 248.757 3.838 30 20 BHED CCCCCCC[C@@H](C)NCCc1ccccn1 59089844 VBXKGHAETJVFTI-OAHLLOKOSA-N 248.414 3.963 30 20 BHED C=C(C)COc1cccc(NC(=O)[C@@H](C)CC)c1 66463371 DQMKVUHXVHCGTJ-LBPRGKRZSA-N 247.338 3.626 30 20 BHED C=CCCNc1ccccc1SC[C@@H](C)C#N 77246007 MSAHBLLHERTDLE-LBPRGKRZSA-N 246.379 3.926 30 20 BHED COc1ccccc1CSCCC(C)(C)C#N 78984597 FVMQQHKMDCHORY-UHFFFAOYSA-N 249.379 3.868 30 20 BHED Oc1ccccc1/C=N\Cc1cccc(Cl)c1 103010668 DOVFWSZIPVTCSM-YBEGLDIGSA-N 245.709 3.665 30 20 BHED C=C(Cl)CN[C@H](C)c1cc(C)ccc1C 135833297 ZIWSIPCIVDMYMD-GFCCVEGCSA-N 223.747 3.707 30 20 BHED C#CCCCOc1ccc(Cl)c(Cl)c1 161023777 NNLVZMHSMDFUBE-UHFFFAOYSA-N 229.106 3.786 30 20 BHED C[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C[C@@H]1C 161620960 DJGWPFJDLJVLGV-MNOVXSKESA-N 248.757 3.694 30 20 BHED C=CCCN[C@H](C)c1ccccc1C(F)(F)F 164104490 UNHBOMHKYJICFJ-SNVBAGLBSA-N 243.272 3.932 30 20 BHED C=CCCN[C@H](C)c1nc2ccccc2s1 164569237 CRSKPDUJEJIRFE-SNVBAGLBSA-N 232.352 3.523 30 20 BHED C=C[C@@](C)(CC)C(=O)Nc1ccccc1OCC 191797039 XKHDNUPISFXNGV-HNNXBMFYSA-N 247.338 3.626 30 20 BHED CCOc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1 193077234 AGGMMSZFKVICHB-CHWSQXEVSA-N 244.338 3.580 30 20 BHED C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CC[C@H]1C 252727393 DJGWPFJDLJVLGV-GHMZBOCLSA-N 248.757 3.694 30 20 BHED CC[C@@H](N[C@H](CCC#N)c1ccccc1)C1CC1 271525724 QDDOOLVVTVZLRL-HZPDHXFCSA-N 242.366 3.810 30 20 BHED CC(C)(C#N)CCCCN1CCC(C)(C)CC1 300119921 JOEAURWYMCLWEG-UHFFFAOYSA-N 236.403 3.828 30 20 BHED C[C@H]1CCN(CCCCC(C)(C)C#N)C[C@H]1C 300120039 JXKGKXLTXMKJCY-UONOGXRCSA-N 236.403 3.684 30 20 BHED C=C(C)CN(Cc1ccccc1)[C@H](C)C1CC1 302838606 SBKKHGNWKNYLIS-CQSZACIVSA-N 229.367 3.863 30 20 BHED C=CCC(C)(C)CN[C@@H]1CC(C)(C)OC1(C)C 384053591 SAMGOGPMWANIIQ-GFCCVEGCSA-N 239.403 3.524 30 20 BHED C=C(C)CCNC1CC(c2ccc(C)cc2)C1 386784680 MZJDGRYERRLUAM-UHFFFAOYSA-N 229.367 3.797 30 20 BHED C=C(C)CCc1noc(CCC2CCCC2)n1 508664913 KNWYPPOIXSWZNS-UHFFFAOYSA-N 234.343 3.701 30 20 BHED C=C(C)CCN(C1CC1)[C@@H](C)[C@@H](C)CC 509650019 GTSHAJYYEZKTFV-STQMWFEESA-N 209.377 3.852 30 20 BHED C=CCCN1CCCCC[C@@H]1CC(C)C 524907754 DOMJZMZTCYFRKK-CQSZACIVSA-N 209.377 3.853 30 20 BHED C=CCN(Cc1cc(F)ccc1Cl)C1CC1 527324676 AWDCFDVXTCPLCU-UHFFFAOYSA-N 239.721 3.630 30 20 BHED CC(C)CCN(CCC(C)C)CC1(C#N)CC1 538360840 ZSCQANPQHHTMTH-UHFFFAOYSA-N 236.403 3.684 30 20 BHED C=CC[C@H](C)N[C@H]1c2cc(F)ccc2C[C@H]1C 540171873 FJZUTTIWYSUIKN-JRPNMDOOSA-N 233.330 3.613 30 20 BHED N#C[C@@H](SC1CCCC1)c1ccccc1 564351995 RUXZNZGVALXSBH-CYBMUJFWSA-N 217.337 3.927 30 20 BHED C=CCCCCSCC[C@H]1CCOC1 567097329 RIVNQZDOCODSBG-GFCCVEGCSA-N 214.374 3.503 30 20 BHED Cc1cccc(Cl)c1CN(C1CC1)[C@H](C)C#N 595709454 FSVUZRWBKHRFFA-LLVKDONJSA-N 248.757 3.525 30 20 BHED C=CCCCN(C)[C@@H]1CCc2ccccc21 605149808 VNJVMUKFVFMTCO-OAHLLOKOSA-N 215.340 3.572 30 20 BHED C=CCCCCCN(C)C(=O)[C@@H](C)c1ccco1 607507764 XWMJNGIBQIYAOG-ZDUSSCGKSA-N 249.354 3.588 30 20 BHED C=CCC1(C(=O)Nc2ccsc2C)CCC1 634218391 ULGQCWNXNRNZSG-UHFFFAOYSA-N 235.352 3.741 30 20 BHED C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(O)cc1 657865619 UYHKATJATPSFFB-ZBFHGGJFSA-N 245.366 3.617 30 20 BHED C=C(C)CN(CC)C(=O)/C=C\C1CCCCC1 735425438 MUOJMPPZABAHJB-KHPPLWFESA-N 235.371 3.548 30 20 BHED C=CCN(Cc1cccc(C)c1C)C(C)C 768548260 ZDFRSFBWWUGSNO-UHFFFAOYSA-N 217.356 3.700 30 20 BHED CCC(CC)NN=Cc1sccc1Cl 782233205 VVSHLSHWCUGCBB-UHFFFAOYSA-N 230.764 3.514 30 20 BHED CC(C)C[C@@H](C)C=NNc1ccccc1[N+](=O)[O-] 799105185 OJVPLGYZZMPWFM-LLVKDONJSA-N 249.314 3.675 30 20 BHED C[C@H]1CC[C@H](C=NNc2ccccc2)C1 800804041 QPQASHPOGUPBDH-RYUDHWBXSA-N 202.301 3.521 30 20 BHED C=CCCN(CCCC)Cc1ccccc1O 801598646 DOHQQAUEQQCSCD-UHFFFAOYSA-N 233.355 3.570 30 20 BHED C[C@H]1CCC(=NOCC2CC2)c2ccccc21 814244875 MACATALAHHSXPH-NSHDSACASA-N 229.323 3.715 30 20 BHED CC(C)C[C@H](C)OC(=O)Oc1ccc(C#N)cc1 820739818 WHQNECOXHWUFLJ-NSHDSACASA-N 247.294 3.508 30 20 BHED C=C(Cl)CN[C@@H](C)[C@@H]1C[C@H]1c1cccs1 841746855 BYHXLJASFUAMOW-GARJFASQSA-N 241.787 3.582 30 20 BHED CCCC(C)(C)C(=O)OCC(C)(C)CCC#N 845555869 ULQVZNGGILYAHD-UHFFFAOYSA-N 239.359 3.686 30 20 BHED CCCCCCC[C@H](C)CNC(=O)CC 917872704 OOWUJOORDSIRNJ-LBPRGKRZSA-N 213.365 3.509 30 20 BHED CC(C)(C)ON=C[C@@H]1C[C@@H]1c1ccccc1 1253789894 XVMDKAGRPNNAIS-QWHCGFSZSA-N 217.312 3.591 30 20 BHED C=C(C)C(C)(C)C(=O)N1CC[C@H]2CCCC[C@H]2C1 1348958529 URJBADLBWWQZJB-KGLIPLIRSA-N 249.398 3.627 30 20 BHED