smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#CCCCN1C(=O)[C@](O)(CC(=O)c2cccs2)c2ccccc21 2841909 AFNBNLROUZWYOU-SFHVURJKSA-N 340.404 2.859 30 50 EFEA C=CCNS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 6726719 WGVDRWJDXLCSAT-UHFFFAOYSA-N 334.372 2.542 30 50 EFEA N#C[C@@H](C(=O)c1cnc(OCC2CC2)cn1)c1cnc2ccccc2n1 328590629 AOLWLQIORNCPFA-CYBMUJFWSA-N 345.362 2.699 30 50 EFEA N#Cc1ccc(O[C@H]2CCOC[C@@H]2Nc2cc(C3CC3)ncn2)cc1 1565529596 JUEJMYWCRLFNCF-ROUUACIJSA-N 336.395 2.874 30 50 EFEA O=C(C#Cc1ccccc1)N[C@H]1CCCN(C2Cc3ccccc3C2)C1 12437731 OBZZMGXZVBHYHA-NRFANRHFSA-N 344.458 2.786 30 50 EFEA N/C(Cc1ccc(Cl)cc1)=N\OC(=O)c1ccc([N+](=O)[O-])cc1 4590382 XCORWMYOJZVSMB-UHFFFAOYSA-N 333.731 2.920 30 50 EFEA C=C(C)CSc1nnc2n(C)c(=O)c3c4c(sc3n12)CCC4 102935 JJYFUZVXIZQIHN-UHFFFAOYSA-N 332.454 2.800 30 50 EFEA C=CCOc1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)c1 10366118 QUEVBQRAJVBOOO-UHFFFAOYSA-N 346.408 2.875 30 50 EFEA C=CCOc1ccccc1CN1C(=O)[C@@H](NC(C)=O)c2ccccc21 100650351 DFMCGIZABRIKBP-IBGZPJMESA-N 336.391 2.975 30 50 EFEA C=CCOc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1OCC 55195970 YVICVJFEYQGCCZ-INIZCTEOSA-N 330.428 2.570 30 50 EFEA N#C[C@@H]1CCCN(C(=O)NC2CCN(c3ccc(F)cc3)CC2)C1 426551377 TYHJPGLXQAPCFQ-AWEZNQCLSA-N 330.407 2.740 30 50 EFEA N#Cc1cccc(N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)n1 95376417 ZDOXORFRNOZKRU-CEWLAPEOSA-N 346.434 2.725 30 50 EFEA N#Cc1ccc2ncnc(N[C@H]3CC[C@H](N4CCOCC4)CC3)c2c1 584639848 HVQXFGHHSFTACS-WKILWMFISA-N 337.427 2.557 30 50 EFEA C=CCN1C[C@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)CC1=O 952961199 WCHPRFFPTLSFSR-CQSZACIVSA-N 332.831 2.866 30 50 EFEA Cc1cccc(C(C)C)c1NC(=O)CN1CCn2nc(C#N)cc2C1 1506397612 FFSFKAAXVJHYDU-UHFFFAOYSA-N 337.427 2.641 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)COc2ccc(Cl)cc2C)cc1 4320588 KYQSTOFKXQWQOI-UHFFFAOYSA-N 348.786 2.900 30 50 EFEA CCc1nc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)[nH]c(=O)c1C#N 5238994 LRNRDJXHCVYWFQ-NSHDSACASA-N 342.424 2.632 30 50 EFEA C[C@H]1CC(=O)N[C@@H](C(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)C1 870194991 GODARZWEUFGLKU-HLUHBDAQSA-N 331.372 2.526 30 50 EFEA Cc1nnc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(C#N)c1C 280475382 NGESKBBBZFJEAH-HDICACEKSA-N 333.439 2.533 30 50 EFEA CCCN1CCC[C@@]2(CCCN2C(=O)c2cccc(C#N)c2)C1=O 2356151236 YOUIGXZLOOELRF-LJQANCHMSA-N 325.412 2.565 30 50 EFEA C[C@H](/N=C(O)/C=C/c1ccccc1)C(=O)N1CC[C@H](n2cccn2)C1 328594124 RWYYJTUGWVSLBL-QFTYNREVSA-N 338.411 2.715 30 50 EFEA CC(C)n1cc([C@]2(O)CCCN(c3ccc(C#N)c(Cl)c3)C2)nn1 284666315 WGIWJPYPGBAEMI-KRWDZBQOSA-N 345.834 2.872 30 50 EFEA CC(=O)N1CC[C@H](NC(=O)COc2ccccc2C#N)c2ccccc21 366956033 WLPQDSCJDVEEKJ-KRWDZBQOSA-N 349.390 2.551 30 50 EFEA N#Cc1ccc(OC2CCC(NC(=O)Nc3cccnc3)CC2)nc1 156251091 OFQRAZMVZZCFTD-UHFFFAOYSA-N 337.383 2.860 30 50 EFEA CCCc1cc(CNC2CCN(c3cc(C#N)ccn3)CC2)on1 95509330 OCYUKBLRJWLRNL-UHFFFAOYSA-N 325.416 2.652 30 50 EFEA CN1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@@H](C#N)C1 225418963 CMDHVAMGZIGGNI-LBPRGKRZSA-N 331.725 2.639 30 50 EFEA C=CCNC(=O)N1CCC(CCC(=O)NCc2ccc(F)cc2)CC1 15077014 WPUFCZJPLPCZIK-UHFFFAOYSA-N 347.434 2.830 30 50 EFEA CC1(C)OB(c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)OC1(C)C 169965037 YISMCLGNSYJEMO-UHFFFAOYSA-N 333.071 2.793 30 50 EFEA C=CCn1c(S[C@@H]2CCOC2=O)nc2sc(C)c(C)c2c1=O 279915 UMXXHFUFIJPZSA-SNVBAGLBSA-N 336.438 2.668 30 50 EFEA C=CCN(Cc1ccccc1OC)C(=O)CC[C@H](C)N1CCOCC1 55118959 SVBWVRIRHXMJOA-KRWDZBQOSA-N 346.471 2.711 30 50 EFEA Cc1nc2c(s1)CCC[C@H]2CN(C)/C(O)=N/Cc1ccnn1C 328631219 QPXFZHMSJOCVHQ-LBPRGKRZSA-N 333.461 2.651 30 50 EFEA C#CCCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 241135421 JPEXSNBYGPLMGS-HZPDHXFCSA-N 338.373 2.827 30 50 EFEA NC(=O)c1ccc(N2CCCC2)c(NCC#Cc2ccc(F)cc2)c1 253417995 WVKONHAYIOZMLO-UHFFFAOYSA-N 337.398 2.988 30 50 EFEA Cc1nc2c(s1)CCC[C@H]2NC(=O)c1ccc(C#CC(C)(C)O)o1 221335252 YOIGPMSCKGCUAP-CYBMUJFWSA-N 344.436 2.974 30 50 EFEA CC(C)[C@H]1O[C@@]2(C)OC3=NC(=N)[C@@](C#N)([C@H]2c2ccccc2)[C@]31C#N 245329464 ZGAYWLBTBNDYAN-ITOHMHRPSA-N 334.379 2.981 30 50 EFEA Cc1cc([C@@H]2CCCN2C(=O)c2ccc(C#CC(C)(C)O)o2)on1 1506405598 AOSYSWUNNYSZND-AWEZNQCLSA-N 328.368 2.676 30 50 EFEA COc1ccccc1C/C(N)=N/OC(=O)Cc1ccc(Cl)cc1 4191676 NFQTUMDGPVPLFQ-UHFFFAOYSA-N 332.787 2.949 30 50 EFEA CN1CCN(c2c3c(c(C#N)c4nc5ccccc5n24)CCCC3)CC1 85697 FRPPGQONZZIMSE-UHFFFAOYSA-N 345.450 2.990 30 50 EFEA c1ccc(CO[C@@H]2O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@@H]3O[C@@H]32)cc1 25668024 AOZVSPOPQDFUMI-XRNRSJMDSA-N 340.375 2.810 30 50 EFEA Cn1nc(C(C)(C)C)c2c1NC(=O)C[C@H]2c1cc(C#CCO)cs1 65396359 ZXEYIBNBJWOBSM-LBPRGKRZSA-N 343.452 2.597 30 50 EFEA N#CCOc1ccccc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 282196094 SOHARYIOLPKBAV-OIISXLGYSA-N 328.412 2.745 30 50 EFEA Cn1cnc2cc(C(=O)OC[C@@H](C#N)Cc3ccc(F)cc3)cnc21 195576984 BVGGJKWEQLDSHZ-CYBMUJFWSA-N 338.342 2.647 30 50 EFEA COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1ccc(Cl)cc1 16527355 CGHDKDJSZUBWGM-BCQZVRRWSA-N 347.798 2.596 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)N=N1 952882271 UAHFIDGNNNHXBE-INIZCTEOSA-N 338.411 2.654 30 50 EFEA N#Cc1ccc(Br)nc1N[C@@H]1CCN(c2ccccn2)C1 952994413 UHJSBYFSRPLCKY-GFCCVEGCSA-N 344.216 2.802 30 50 EFEA C=CCn1c(S[C@H]2CCOC2=O)nc2sc(C)c(C)c2c1=O 279913 UMXXHFUFIJPZSA-JTQLQIEISA-N 336.438 2.668 30 50 EFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 444747 ZXYSTNUEIZIDIW-UHFFFAOYSA-N 348.446 2.771 30 50 EFEA CN(C)C1=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2C1=O 100999385 DZJYEKURWAGAJP-MNDPQUGUSA-N 340.404 2.506 30 50 EFEA C=CCO/N=C(\CCC)C1=C(NC)CC(C)(C)[C@@H](C(=O)OC)C1=O 100319345 WIPMKZYRWQSAJZ-RVZJCZPVSA-N 336.432 2.607 30 50 EFEA CCOC(=O)[C@](C)(CNC(=O)c1sccc1C#N)c1ccccc1 170605716 RCQVEXABPQRONU-GOSISDBHSA-N 342.420 2.871 30 50 EFEA Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C#Cc2ccccc2)n1 242324366 ZAQDMCNTPBPJFO-UHFFFAOYSA-N 346.346 2.980 30 50 EFEA C#CCCC1(CCC(=O)NC2CCC(O)(c3cccnc3)CC2)N=N1 2325892516 PXZLPIIUTXZJAY-UHFFFAOYSA-N 340.427 2.684 30 50 EFEA C=C(C)Cn1c(SCCCCCC)nc2c1c(=O)[nH]c(=O)n2C 4786278 YKKIMQUNXVEDDL-UHFFFAOYSA-N 336.461 2.672 30 50 EFEA Cc1cncc(N=C(O)N2CCOC[C@H]2c2nnc(C(C)C)o2)c1 328624739 KCXNDRSQJFVSOU-ZDUSSCGKSA-N 331.376 2.515 30 50 EFEA Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 369365659 DWFLJRLPIQAORT-MRXNPFEDSA-N 334.423 2.995 30 50 EFEA CCc1cn[nH]c1[C@H]1CCCN(Cc2cc(C#CCO)cs2)C1 82087360 BQMYDACCZXRWEY-INIZCTEOSA-N 329.469 2.757 30 50 EFEA CC#C[C@H]1[C@@]2(C)[C@H](CC)[C@@]3(Br)[C@](C)([C@@]13C)S2(=O)=O 252427872 IZMOMVHASBKFLY-GHEKHTLGSA-N 331.275 2.765 30 50 EFEA C#CCCC1(CCNC(=O)[C@@H]2[C@H]3CC[C@@]2(c2cncs2)C3)N=N1 1875381135 LFFDYOGFEFQFDY-NOLJZWGESA-N 328.441 2.893 30 50 EFEA COC[C@@H]1C[C@@H](OC)CN1c1ccc(C#N)cc1Br 343688665 PPYKDWACSOMSJG-NWDGAFQWSA-N 325.206 2.561 30 50 EFEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N(C)C)C2 14753805 OQVBXQSDXNUAMC-HNNXBMFYSA-N 330.476 2.504 30 50 EFEA Cc1ccc(SCC(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)cc1 5047626 VNAQYIQTGPDVPX-UHFFFAOYSA-N 345.380 2.859 30 50 EFEA COc1ccc(Br)cc1Sc1nc(=N)c(C#N)c[nH]1 2325852632 NATPXLPLTSSZRY-UHFFFAOYSA-N 337.202 2.683 30 50 EFEA COc1nccc(N2CCC[C@]3(CCc4cnc(C)nc43)C2)c1C#N 2356144165 LKXMZWIWZTUOFS-IBGZPJMESA-N 335.411 2.545 30 50 EFEA CCOc1ccc(/C=C/c2nc(C#N)c(N3CCOCC3)o2)cc1 4840016 UOWZHJRRFSCEJP-VMPITWQZSA-N 325.368 2.952 30 50 EFEA CC/C(Nc1ccccc1O)=C1/C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100157764 VJNKLXMFIFUFRL-SFKKXYGYSA-N 345.395 2.826 30 50 EFEA Cc1nn(CCO)cc1-c1c(C)c([C@@H]2CC2(C)C)nc(N)c1C#N 71661905 RYYQIKGLQKODRD-AWEZNQCLSA-N 325.416 2.522 30 50 EFEA CC(=O)N1CCCCC[C@H]1C1CCN(c2ccncc2C#N)CC1 368418457 WZNNIHUEQKOMPA-IBGZPJMESA-N 326.444 2.961 30 50 EFEA C#CCN1C(=O)[C@](O)(CC(=O)/C=C\c2ccccc2)c2ccccc21 12342705 NPVXMVYAWQSEKD-SQZREULQSA-N 331.371 2.527 30 50 EFEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NC1CC1)C2 14540511 CZHUXHJJJYQGKD-INIZCTEOSA-N 342.487 2.695 30 50 EFEA C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(C#N)cc1 1775993923 OMHRZYLLQVECNM-CPUCHLNUSA-N 348.468 2.556 30 50 EFEA CCCCCCCCn1c(N[C@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 53306932 OVWFPGLFCAQGJO-CYBMUJFWSA-N 349.479 2.994 30 50 EFEA C[C@@H](C#N)CN(C[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1 341908721 KFQSLWRNEUYHMF-PXNSSMCTSA-N 327.472 2.902 30 50 EFEA C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@@H]1C 278855786 QUDJAATXKDILND-AOOOYVTPSA-N 343.246 2.597 30 50 EFEA CN(Cc1ccccc1)c1cnn(Cc2ccccc2C#N)c(=O)c1 72147586 GXDYFPZWHNVSJE-UHFFFAOYSA-N 330.391 2.800 30 50 EFEA CCCC(C#N)(CCC)NC(=O)Cn1ccc2ccccc2c1=O 280584011 WWASVYYUTBDALF-UHFFFAOYSA-N 325.412 2.980 30 50 EFEA C[C@@H]1CN([C@@H](CNc2cccc(C#N)n2)c2cccs2)CCO1 175043976 FLDZNSGEBVDMSW-HIFRSBDPSA-N 328.441 2.889 30 50 EFEA CCN(C)[C@H](C)CCNC(=O)N1CCC(C#N)(c2ccccc2)CC1 534669263 YBBPOIQVKJMLQL-QGZVFWFLSA-N 342.487 2.984 30 50 EFEA CN(Cc1cc(C#CCO)cs1)Cc1n[nH]c2c1CCCCC2 828644673 YDUCJJHLFZXNIB-UHFFFAOYSA-N 329.469 2.716 30 50 EFEA C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O 16943064 GVRNTWSGBWPJGS-YSDSKTICSA-N 334.456 2.992 30 50 EFEA biogenic,in-vitro Cc1c(-c2cc(F)ccc2OC[C@@H]2CCCO2)cn(C)c(=O)c1C#N 874434601 WYDASJDFRTXZAH-AWEZNQCLSA-N 342.370 2.929 30 50 EFEA Oc1nccc(/C=N/OCc2cncc(OCc3ccccc3)c2)n1 2325871760 YBPGOSVDZAKMDG-UFFVCSGVSA-N 336.351 2.707 30 50 EFEA C=C(C)COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 6743686 MHPVRRMNCKHQAY-UHFFFAOYSA-N 337.423 2.999 30 50 EFEA O=C1C(=CN2CCN(c3ccccc3F)CC2)C(=O)c2ccccc21 2561592 LETORNXBOYISJD-UHFFFAOYSA-N 336.366 2.911 30 50 EFEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2C(=O)Nc1ccccc1F 100418437 XBGNSOUZLHUNKM-JTQLQIEISA-N 330.359 2.544 30 50 EFEA N#CC1(c2ccccc2)CCN(CC(=O)NCc2cccs2)CC1 38641103 XZGHMVKDXZWTBQ-UHFFFAOYSA-N 339.464 2.922 30 50 EFEA OC1=NC[C@@H](C/N=C(/O)CCc2ccc(OC(F)(F)F)cc2)O1 328589525 BPJKVUMPBXQLML-LLVKDONJSA-N 332.278 2.787 30 50 EFEA C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCCC[C@H]1CCC(=O)O 237650053 VQKKNKSBQJTGFO-ZFWWWQNUSA-N 330.384 2.571 30 50 EFEA N#Cc1cnc2ccccc2c1N[C@@H]1CCN(C(=O)c2ccccn2)C1 195546285 BUPQNCNVSKFXLS-OAHLLOKOSA-N 343.390 2.828 30 50 EFEA C=CCC1(C(=O)NC[C@@H](C)C#N)CCN(C(=O)OC(C)(C)C)CC1 1875278238 KQEICCLPAAAHRO-AWEZNQCLSA-N 335.448 2.856 30 50 EFEA CCc1cnccc1C(=O)N1CCCN(c2ccccc2C#N)CC1 136908801 YUXMPKAFOWLLSM-UHFFFAOYSA-N 334.423 2.868 30 50 EFEA CC(C)c1nnc(NS(=O)(=O)c2cc(C#N)ccc2Cl)o1 170602276 UNXPUJXNWJGKEJ-UHFFFAOYSA-N 326.765 2.519 30 50 EFEA Cc1nc(-c2ccccc2)n(Cc2ccc(C#N)cc2)c(=O)c1CCO 169775259 KARJFCCUPWPQAL-UHFFFAOYSA-N 345.402 2.674 30 50 EFEA N#Cc1ccc(N2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)nc1 1857667823 LWRSCZUGXUCOMJ-HXUWFJFHSA-N 347.422 2.811 30 50 EFEA C#CCCC1(CCC(=O)N2CC[C@H](Nc3cccc(C#N)c3)C2)N=N1 2325892190 DIBFQDAOPHJYMW-KRWDZBQOSA-N 335.411 2.927 30 50 EFEA C#CCCC1(CCC(=O)N(C)Cc2cnn(-c3ccccc3)n2)N=N1 2325892501 PDZUOIRBWZHZKY-UHFFFAOYSA-N 336.399 2.581 30 50 EFEA C#CCCC1(CCC(=O)N2CCn3c(nnc3-c3ccccc3)C2)N=N1 952879147 ALIINPIWHQUING-UHFFFAOYSA-N 348.410 2.643 30 50 EFEA COCc1cc(C)nc(SCC(=O)Nc2ccccc2O)c1C#N 4865885 FFGVJQXFIFAYSK-UHFFFAOYSA-N 343.408 2.845 30 50 EFEA N#Cc1ccccc1C(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72163454 DVSINIXDTSBOSP-HXUWFJFHSA-N 345.446 2.874 30 50 EFEA COc1cc(CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2OC)ccc1C#N 344612633 ZIFYAKDHEZDGFO-KSZLIROESA-N 330.428 2.583 30 50 EFEA C=CC[C@@]1(CO)CCCN(C(=O)c2cnc(CN3CCCC3)s2)C1 91665493 KDXNOYWVHBZAGB-GOSISDBHSA-N 349.500 2.530 30 50 EFEA C#CCCC1(CCC(=O)N2CCCC[C@H]2c2ocnc2C(=O)O)N=N1 2325900654 DHKHRIPFWUUMEB-LBPRGKRZSA-N 344.371 2.782 30 50 EFEA CC(C)Nc1c([N+](=O)[O-])cc(B2OC(C)(C)C(C)(C)O2)c(F)c1F 170003660 IPWXBBBXJHRSLN-UHFFFAOYSA-N 342.151 2.993 30 50 EFEA Cc1cc(C)n(C(=O)/C(C#N)=N/Nc2ccccc2Br)n1 1406408 MOSLIBQYRZZDES-QGOAFFKASA-N 346.188 2.894 30 50 EFEA C=CCN(Cc1ccc(OC)nc1)[C@H](Cc1ccccc1)C(=O)O 1875283570 WLWHBSKHZSFGBQ-QGZVFWFLSA-N 326.396 2.774 30 50 EFEA C#CCCC1(CCNC(=O)[C@]2(Cc3ccc(F)cc3)CCCO2)N=N1 1875368767 OUSLFJDGNKGYNW-GOSISDBHSA-N 343.402 2.999 30 50 EFEA COc1ncc(CN2CCC(Oc3cccc(C#N)c3)CC2)c(C)n1 366856967 ZLVXZUGXTZYWPF-UHFFFAOYSA-N 338.411 2.709 30 50 EFEA C=C(C)COc1ccccc1C(=O)NC[C@@H]1CCCN(CCOC)C1 55402340 IJNXLCGPOMBIOU-KRWDZBQOSA-N 346.471 2.730 30 50 EFEA COc1cccc([C@@H]2O[C@@]3(C)OC(=N)[C@@](C#N)([C@H]3C)C2(C#N)C#N)c1 239135375 LDVUBUDWDJEHNC-YURQEKFMSA-N 336.351 2.670 30 50 EFEA C=CC[C@H](C)NC(=O)c1c(Br)n[nH]c1Br 1775990438 AZNUZOAKHBWXIK-YFKPBYRVSA-N 337.015 2.629 30 50 EFEA C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 277329264 VGEZLPZJGKWLOI-KSSFIOAISA-N 328.412 2.743 30 50 EFEA C=CCn1c(SCc2cc(O)n[nH]2)nc2sc(C)cc2c1=O 4911333 GEVIJVVDBNEVOD-UHFFFAOYSA-N 334.426 2.673 30 50 EFEA C[C@H](/N=C(/O)N1CCC(c2cnc[nH]2)CC1)c1nc(C(C)(C)C)no1 328588651 UCFSZERLZRBNHH-NSHDSACASA-N 346.435 2.945 30 50 EFEA CC(C)c1nnc(C/N=C(/O)[C@@H]2CCO[C@H]2c2nccn2C)s1 329028799 OYABQZLETPJPKB-ZYHUDNBSSA-N 335.433 2.629 30 50 EFEA CC1(C)OB([C@H]2CCN(C(=O)N3CCC[C@H](CC#N)C3)C2)OC1(C)C 1875366746 KZGPEQYTFMMLCM-CABCVRRESA-N 347.268 2.900 30 50 EFEA Cc1ncsc1CN(C)C[C@@H]1CCN(c2ccc(C#N)nc2)C1 225603336 XXVDXXGGSUWBQU-AWEZNQCLSA-N 327.457 2.677 30 50 EFEA CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C(=O)OC(C)(C)C 1857784967 AAKYPVRTFGOMNI-UHFFFAOYSA-N 348.252 2.748 30 50 EFEA CC(=O)O/N=C1/CCCc2c1sc1nc3n(c(=O)c21)CCCCC3 22203676 XAWQKDDKFVQVNZ-UNOMPAQXSA-N 345.424 2.788 30 50 EFEA CN(C)[C@H](C/N=C(/O)N1CCC(c2cc[nH]n2)CC1)c1ccsc1 329290921 NHLDNEPGYPIVHY-MRXNPFEDSA-N 347.488 2.868 30 50 EFEA CO[C@H](C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)c1cnn(C)c1 360699106 HGBQJGGUKDKPQK-IRXDYDNUSA-N 340.427 2.786 30 50 EFEA C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2cccc(C#N)c2)C1 240555640 GWUKFLYSNZVKTM-UXLLHSPISA-N 347.484 2.584 30 50 EFEA CC(C)[C@@H]1O[C@@]2(C)OC3=NC(=N)[C@@](C#N)([C@H]2c2ccccc2)[C@]31C#N 245329463 ZGAYWLBTBNDYAN-HLQCWHFUSA-N 334.379 2.981 30 50 EFEA O=C1[C@H]2[C@H](C(=O)N1/N=C/c1c[nH]c3ccccc13)[C@H]1C=C[C@H]2C12CC2 245226610 GPKIGMVEVNSPCK-IRVXAHGVSA-N 331.375 2.699 30 50 EFEA COC(=O)c1ccc(/C=N/n2c(-c3ccco3)n[nH]c2=S)cc1 5910226 ABFFQNIZKUXITR-CXUHLZMHSA-N 328.353 2.869 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)c2cc(C)cc(C)c2)cc1OC 5014070 RFTZUVLCUILGPM-UHFFFAOYSA-N 328.368 2.798 30 50 EFEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)c2cnc(C)nc2C)cn1 328617879 DDLNCSZVLLGPQB-JKSUJKDBSA-N 329.404 2.535 30 50 EFEA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]21C 257345454 LCZBQMKVFQNSJR-YMJVXHRNSA-N 346.467 2.809 30 50 EFEA CN(C)/C=N/C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl 261494725 AMNQKFSNAJZLGD-PTXOJBNSSA-N 329.656 2.962 30 50 EFEA C#CCCC1(CCC(=O)N2CCC[C@@H]2Cn2ccnc2CC)N=N1 952882449 UJJDZAJDKSISCL-OAHLLOKOSA-N 327.432 2.792 30 50 EFEA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cccc(F)c2C#N)C3)n1 888098058 BKZHPKIABYYRQD-SGTLLEGYSA-N 340.358 2.583 30 50 EFEA COc1cccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c1O 61125 FMELKCNOYUTRJU-UDWIEESQSA-N 337.379 2.949 30 50 EFEA CC/N=C(/O)c1cc(Cl)ccc1NS(=O)(=O)N1CCCCC1 330891533 IFWXDLFFJDISMN-UHFFFAOYSA-N 345.852 2.807 30 50 EFEA COc1ccccc1N1C[C@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O 4487926 QSXGHNJYELIQGZ-OAHLLOKOSA-N 349.390 2.753 30 50 EFEA C=CCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCC2)c1 4840395 QKNLOKSECWBEEF-UHFFFAOYSA-N 336.457 2.522 30 50 EFEA Cc1cc(N=C(O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)c2ncccc2c1 328595924 KLCZVEAJHFGURH-KUHUBIRLSA-N 341.411 2.969 30 50 EFEA CN(C)/C(N)=N/C[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 253432636 MBIMAFRXHDOSRN-DZGCQCFKSA-N 342.409 2.965 30 50 EFEA CCN1CCO[C@@H](CNc2nc(C)cc(C#N)n2)[C@@H]1c1ccccc1 284540419 GTDNQYOYYWAUFX-ROUUACIJSA-N 337.427 2.531 30 50 EFEA CNC(=O)c1ccn([C@@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)n1 276095406 UUDMIEHUZFIGKH-WMLDXEAASA-N 337.427 2.512 30 50 EFEA N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CCC[C@@H]2CN)c1 2325795292 WTNPGGRVJRFRPF-IEBWSBKVSA-N 349.434 2.994 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 100505973 QBZAIOYBFOFLSW-KRWDZBQOSA-N 326.396 2.859 30 50 EFEA biogenic Cc1cnn([C@H]2CCCN(/C(O)=N/CCc3cccc(C#N)c3)C2)c1 328588059 ODEXCBSJRGNCGV-SFHVURJKSA-N 337.427 2.857 30 50 EFEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N/C(O)=N/CC1(C2CC2)CC1 328628380 NSDVWTLVTCBBEE-HOCLYGCPSA-N 332.448 2.561 30 50 EFEA CC(C)c1noc([C@@H](/N=C(/O)CN(C)C(C)C)C2CCOCC2)n1 328612925 QCVUULHAOFFLRV-HNNXBMFYSA-N 338.452 2.957 30 50 EFEA N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@H](c1ccccn1)O3 138206947 NOXTVQOPVZZGHA-LTCOOKNTSA-N 333.351 2.590 30 50 EFEA Cc1c(F)ncnc1NC1CCN(Cc2cccc(C#N)c2)CC1 872586773 QUPLGPDBBQZXPC-UHFFFAOYSA-N 325.391 2.872 30 50 EFEA O=C1c2ccccc2C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1Cl 160197 HKKAJYQKDOSXKD-CAOOACKPSA-N 329.699 2.878 30 50 EFEA C=CCN1C(=O)CC[C@H]1CCNCc1cc2c(cc1Cl)OCO2 15068259 CKQPWWHXSLOMDV-ZDUSSCGKSA-N 336.819 2.725 30 50 EFEA O=C1N/C(=N/N=C/c2ccccc2)S[C@@H]1Cc1ccc(F)cc1 4170557 NGZPQDUZMIUVIC-SKCQWOFPSA-N 327.384 2.990 30 50 EFEA CC[C@H](CC#N)NC(=O)[C@H](c1cc(Br)cs1)N(C)C 408514068 WNMZBHFURPKQEN-PWSUYJOCSA-N 344.278 2.922 30 50 EFEA N#C[C@H]1CN(Cc2cccc(F)c2F)C[C@@]12C(=O)Nc1ccccc12 369523011 VQKNEENKIUMDFF-ORAYPTAESA-N 339.345 2.810 30 50 EFEA N#Cc1ccoc1S(=O)(=O)NCCc1ccc2ccccc2c1 2325794890 VKVRFWXBYLJWEG-UHFFFAOYSA-N 326.377 2.825 30 50 EFEA C=CCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 4755787 GOZUHJPABNMNIY-SDNWHVSQSA-N 342.307 2.688 30 50 EFEA CC(=O)[C@@H](OC1=CC(=O)C[C@@H](c2ccccc2)C1)C(=O)OC(C)C 100161782 QEAFHWWVECLYFF-CRAIPNDOSA-N 330.380 2.943 30 50 EFEA O[C@@]1(CN(CC#Cc2ccccc2)C2CC2)CCCN2CCCC[C@@H]21 63883605 WQWJUGQLWRRFTH-FGZHOGPDSA-N 338.495 2.882 30 50 EFEA COC(=O)C1=C(N)c2c(F)cccc2[C@]1(C#N)c1ccc(F)cc1 3133542 PBNJGMAIWKFONB-SFHVURJKSA-N 326.302 2.631 30 50 EFEA Cc1ncsc1C(=O)O[C@@H]1CCCN(c2cc(C#N)ccn2)C1 170611838 UZCUPZDFDYQCQT-CYBMUJFWSA-N 328.397 2.544 30 50 EFEA Cc1cc(C)c(C#N)c(N2CC[C@H](Cc3cccc(C(N)=O)c3)C2)n1 72133110 POBTWFHGAKRATE-MRXNPFEDSA-N 334.423 2.738 30 50 EFEA Cc1nnc([C@@H](C)N2CCN(c3ccc(C#N)cc3F)CC2)s1 332420421 QATCTDZFRDUSAQ-LLVKDONJSA-N 331.420 2.741 30 50 EFEA O=C1c2ccccc2C(=O)N1OC(=O)C12CC3CC(CC(C3)C1)C2 136450321 MZIVCGYFTCALCR-UHFFFAOYSA-N 325.364 2.957 30 50 EFEA C=CCN1C[C@H](C)N(Cc2cc(C(N)=O)oc2C(C)(C)C)C[C@@H]1C 1565513521 NZXDSAVTGJKWAI-KBPBESRZSA-N 333.476 2.757 30 50 EFEA O=C(O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 95681891 VTXSVMHCHVIRJR-UHFFFAOYSA-N 326.061 2.969 30 50 EFEA in-vitro Cc1noc([C@@H]2CC[C@H](CNc3c(C#N)nnc4ccccc34)O2)n1 275346037 LGBKVIZMKAWIPF-ABAIWWIYSA-N 336.355 2.525 30 50 EFEA CCOC(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 289164 DGWZEIICLWPFOO-MRXNPFEDSA-N 336.347 2.824 30 50 EFEA O=C(C[n+]1ccc(-c2cccs2)nc1)c1ccccc1[N+](=O)[O-] 2544956 YLFANRUCKZIPAB-UHFFFAOYSA-N 326.357 2.889 30 50 EFEA Cc1sc(Cl)nc1C(O)=Nc1ccc2c(c1)C(=O)N(C)C2=O 328596059 PXESSZPMCYNLMH-UHFFFAOYSA-N 335.772 2.967 30 50 EFEA Cc1cc(C#N)ccc1C(=O)N1CCC(OC[C@@H]2CCCO2)CC1 128888482 QGLMSABLNCIHOF-KRWDZBQOSA-N 328.412 2.667 30 50 EFEA CC(C)=N/N=C1/NC(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S1 6556672 DALDXJLFMLYZEL-ZDUSSCGKSA-N 332.429 2.615 30 50 EFEA CCC[C@@H](C)c1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)n[nH]1 427263922 YDJUQKDCMFTINR-SNVBAGLBSA-N 333.417 2.689 30 50 EFEA C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@]2(CCCOC2)O1 253432439 ZLOINURWIFLDAG-NHYWBVRUSA-N 341.333 2.746 30 50 EFEA Cc1nc([C@H]2OCC[C@H]2CNc2nc(C)c(C#N)cc2Cl)n[nH]1 888094151 AORVUDDUOFHUSZ-GWCFXTLKSA-N 332.795 2.531 30 50 EFEA Cc1ccccc1NC(=O)c1cnc2nc(SCC#N)nn2c1C 6758968 XBUBBMFXPGXCJC-UHFFFAOYSA-N 338.396 2.609 30 50 EFEA CC(C)(O)C#Cc1cccc(C(=O)NC[C@@H]2OCCc3ccccc32)c1 65426619 UVNUUPDADRKVAV-FQEVSTJZSA-N 349.430 2.853 30 50 EFEA CN1CCC[C@@H](/N=C(/O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1=O 331093848 KAQUIJUFFCAYIK-SNVBAGLBSA-N 346.353 2.582 30 50 EFEA C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O 86012941 MTQFHFGPGWKKBO-IQOPACSTSA-N 334.456 2.990 30 50 EFEA Cn1ccc2ccc(CN3CCN(c4ncccc4C#N)CC3)cc21 223633364 USTKUEPCYDLKDZ-UHFFFAOYSA-N 331.423 2.767 30 50 EFEA N#C[C@H]1CN(c2ncc(Cl)c(Nc3ccc(F)cc3)n2)CCO1 952994856 VNDPQISCVPZTAS-LBPRGKRZSA-N 333.754 2.741 30 50 EFEA CC(C)(C)OC(=O)N1CC(C#CC(=O)N2C[C@H]3CCCC[C@H]3C2)C1 1875335481 NYZMNPUIXWXUNS-IYBDPMFKSA-N 332.444 2.505 30 50 EFEA C=CCOc1ccccc1CN1C[C@H](O)[C@H](Cc2cc(C)no2)C1 1529187731 ZSRFMUZIHCOMQW-AEFFLSMTSA-N 328.412 2.583 30 50 EFEA Cc1nc(C)c(C/N=C(/O)N=c2[nH]nc(C(F)(F)F)s2)s1 330999903 ZSDIYLPZWSMGJC-UHFFFAOYSA-N 337.352 2.578 30 50 EFEA C=C(C)CN1C(=O)N[C@](CC)(C2CCN(C(=O)[C@@H](C)CC)CC2)C1=O 14879188 VAEHOPKTILIXNV-IFXJQAMLSA-N 349.475 2.548 30 50 EFEA C[C@@H]1CCc2c(sc(NC(=O)CSc3nncn3C)c2C#N)C1 77446 FKROQUIHOAMSMQ-SECBINFHSA-N 347.469 2.604 30 50 EFEA CCN1CCN(c2oc(COc3cccc(Cl)c3)nc2C#N)CC1 108375 SLECQMGOVQQGBN-UHFFFAOYSA-N 346.818 2.921 30 50 EFEA COC(=O)C[C@@]1(O)C(=O)C=C(c2ccc(C)cc2)N1c1ccccc1 6660505 DZADKUKCLAXCMI-HXUWFJFHSA-N 337.375 2.677 30 50 EFEA COCCn1cc(NC(O)=Nc2cccc(-c3nccn3C)c2)cn1 328587395 LMGMJCLJVWCHDF-UHFFFAOYSA-N 340.387 2.588 30 50 EFEA COc1ccc([C@H](O)[C@H]2CCCN2C(O)=Nc2ccccn2)cc1 328587181 CXYQCYCXVISFKH-WBVHZDCISA-N 327.384 2.834 30 50 EFEA CCCCN1C(=O)COc2ccc(B3OC(C)(C)C(C)(C)O3)cc21 170006478 HUGJIOZUAKMQBF-UHFFFAOYSA-N 331.221 2.511 30 50 EFEA O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@H]1CC[C@H](O)CC1 245521773 UCQVDWJCZMCNFX-SHTZXODSSA-N 340.345 2.660 30 50 EFEA COc1ccc(O)c(/C=N/[C@H](C)Cn2ncc3ccccc3c2=O)c1 160086045 BFYHFQUPHNZASN-RNDVCUHJSA-N 337.379 2.618 30 50 EFEA Cc1ccc(N2C[C@H](C)N(C(=O)c3ccc(C#N)cc3)CC2=O)cc1 82120078 ITVLDTHBJDLVLQ-HNNXBMFYSA-N 333.391 2.744 30 50 EFEA Cc1nc(O)cc([C@H]2CCCN(C(=O)Nc3ccc(C#N)cc3)C2)n1 299797980 DJJVPNLMIPXEBX-AWEZNQCLSA-N 337.383 2.774 30 50 EFEA Cn1ccnc1[C@@H]1OCCC[C@H]1c1nnc(-c2cccc(C#N)c2)o1 886084630 SHRRBGCJDGLZDD-HUUCEWRRSA-N 335.367 2.977 30 50 EFEA C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cnc(C#N)cn1)C2 705647169 OERFHQWSKMZSJU-WOJBJXKFSA-N 333.439 2.697 30 50 EFEA N#Cc1cc(Br)ccc1N[C@@H]1CC(=O)N2CCCC[C@@H]12 328649204 IPZXBWOCMCUSRU-KGLIPLIRSA-N 334.217 2.886 30 50 EFEA C#CCCC1(CCNS(=O)(=O)c2ccc(C)cc2Cl)N=N1 2325900075 JYZNESVPVIXFTR-UHFFFAOYSA-N 325.821 2.892 30 50 EFEA COc1ccc(C(=O)C[n+]2ccc(-c3cccs3)nc2)cc1OC 6247009 AUASQXFQXHOCTO-UHFFFAOYSA-N 341.412 2.998 30 50 EFEA Cc1ccc(N=C(O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)cn1 328628728 OAEYGUDRDGGQEX-CYBMUJFWSA-N 331.376 2.515 30 50 EFEA Cn1cncc1[C@H]1[C@H](/N=C(/O)C[C@@H]2C=CCC2)CCC(=O)N1C1CC1 328969199 ARIPKMMRGRTBTI-ZXYWRSMDSA-N 342.443 2.927 30 50 EFEA CCOC(=O)[C@]1(C)[C@H](C)CCC[C@]1(O)C#CCO[C@H]1CCCCO1 43762345 CVILZSNPLPWYFS-NEPXVJNWSA-N 338.444 2.654 30 50 EFEA C=CCN1C(=O)/C(=C\c2cc(OC)c(O)c(OC)c2)SC1=S 1505805 QJVFGWRQVOJYHE-XYOKQWHBSA-N 337.422 2.797 30 50 EFEA C#CCCC1(CCNC(=O)c2cc(C)n3ncc(C(C)C)c3n2)N=N1 1875381668 CTQSDHBBXYIAKA-UHFFFAOYSA-N 338.415 2.857 30 50 EFEA CCN1C(=O)C[C@@H](CNc2nc(C)cc(C)c2C#N)[C@@H]1c1cccnc1 886035392 UYKSDOQUWRUVDY-LPHOPBHVSA-N 349.438 2.987 30 50 EFEA C=CCCN1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 77452557 KIHMMCLXVAZXHY-IBGZPJMESA-N 328.460 2.566 30 50 EFEA N#Cc1ccc(NC(=O)N2CCC(O)(Cc3ccccc3)CC2)cn1 96149952 NGGABGPPQAGUCZ-UHFFFAOYSA-N 336.395 2.555 30 50 EFEA Cc1ccc(C#N)cc1S(=O)(=O)N1CCCC[C@H]1c1ncccn1 952881569 ATJYZSILMNSOSB-HNNXBMFYSA-N 342.424 2.573 30 50 EFEA CC(C)(O)C#Cc1ccc(C(=O)NCCn2ccc3ccccc32)o1 952967348 ZOTZRGRVEIVFLP-UHFFFAOYSA-N 336.391 2.787 30 50 EFEA COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C)ccc1O 5817852 UZCQZRDBGWOQPB-INIZCTEOSA-N 339.347 2.609 30 50 EFEA C=CCNS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 4840376 CPBWKRFTGCAGNM-UHFFFAOYSA-N 344.436 2.722 30 50 EFEA CC(=O)N1CCc2nc(N)c(C#N)c(-c3ccc(F)c(Cl)c3)c2C1 72172885 ZQRDQANTSYJMOR-UHFFFAOYSA-N 344.777 2.900 30 50 EFEA N#Cc1cc([N+](=O)[O-])c(NC[C@@H]2CCCO2)cc1NC[C@H]1CCCO1 285734540 SWWGJSYHHGUGRM-KGLIPLIRSA-N 346.387 2.648 30 50 EFEA C=CCSc1nc(O)c2c(n1)NC(=O)C[C@H]2c1ccccc1O 670416047 CEAAFDATFVLUKK-JTQLQIEISA-N 329.381 2.640 30 50 EFEA Cc1cc(C#N)ccc1CCNC(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1875396284 AQUGNVROWFRILT-OLZOCXBDSA-N 338.411 2.585 30 50 EFEA COc1cc(/N=C(\S)N2CCN(C)CC2)c(OC)cc1Cl 13497417 XIKYPYPVGIXOEZ-UHFFFAOYSA-N 329.853 2.522 30 50 EFEA CNc1cc(N2CCC[C@H]2CNc2ncc(C#N)cc2Cl)ncn1 114709471 DVQFOOFIFSYLMN-LBPRGKRZSA-N 343.822 2.519 30 50 EFEA CCOC(=O)[C@@H]1CCC/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4947961 RKNJNYYCAGXQGL-BXSDCGNMSA-N 336.304 2.634 30 50 EFEA C#Cc1ccc(CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)cc1 104502416 BKDKBPGSKPAQKZ-HXUWFJFHSA-N 338.451 2.638 30 50 EFEA CC(C)(O)c1cc(-c2ccccc2Cn2cccn2)c(C#N)c(N)n1 67847131 BYCPIMKHPDDERY-UHFFFAOYSA-N 333.395 2.675 30 50 EFEA Cc1oc(NC(=O)CN2CC[C@H](Cc3ccncc3)C2)c(C#N)c1C 364703145 HETMJLNIAXONIV-MRXNPFEDSA-N 338.411 2.666 30 50 EFEA CN(CCc1cnccn1)c1nc2c(c(C#N)c1C#N)CCCCCC2 280805688 WIEOGKKKZZJKHD-UHFFFAOYSA-N 346.438 2.953 30 50 EFEA Cc1ccc(C#N)c(NCc2ccccc2CN2CCC[C@H]2CO)n1 225514023 LEXRCHKJHYSDGV-IBGZPJMESA-N 336.439 2.831 30 50 EFEA CC(=NN1CCN(c2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 243919552 BOVGZURAPAKBLH-UHFFFAOYSA-N 325.372 2.536 30 50 EFEA CC(C)(C)c1csc(NC(=O)NCc2ccc(C(N)=O)o2)c1C#N 1434725804 DNPUITIGMIGBFT-UHFFFAOYSA-N 346.412 2.931 30 50 EFEA C=CCOc1ccccc1/C=C1/SC(=S)N(CC(=O)O)C1=O 2381842 DREITSQAJKJJSQ-XYOKQWHBSA-N 335.406 2.537 30 50 EFEA N#Cc1cccc(CNC(=O)NCc2ccn(Cc3ccccc3)n2)c1 252501875 UKAGNNYTZSTJFU-UHFFFAOYSA-N 345.406 2.802 30 50 EFEA N#Cc1ccc(CC(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1 348242726 KWHWZNFGBIFLMY-YJBOKZPZSA-N 342.345 2.713 30 50 EFEA Cc1n[nH]c(C)c1-c1cc(-c2ccc3c(c2)OCO3)c(C#N)c(N)n1 71765552 IEFLSHHNHVJSFH-UHFFFAOYSA-N 333.351 2.938 30 50 EFEA COc1nc2ccn(CCCCc3ccccn3)c(=O)c2cc1C#N 71278852 ARCNQXYIELIGRG-UHFFFAOYSA-N 334.379 2.695 30 50 EFEA CCO[C@@H]1C[C@@H](NCCOc2cccc(C#N)c2)C12CCOCC2 286291537 VCSLWVKWUPABDR-QZTJIDSGSA-N 330.428 2.501 30 50 EFEA CCC[C@@H]1C[C@H]1NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 287402957 SZOQSZMEYGYKKF-YWPYICTPSA-N 335.429 2.682 30 50 EFEA N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCC(N)=O 5589252 QRZIGSBOVKGISN-UHFFFAOYSA-N 327.453 2.998 30 50 EFEA COc1ccccc1N1CCN(/N=C(\C)c2ccccc2O)CC1 13126512 BGMIIVGOZQDOIA-HMMYKYKNSA-N 325.412 2.947 30 50 EFEA Cc1cnn(C)c1/C=C1\CC(C#N)C/C(=C\c2c(C)cnn2C)C1=O 864087060 PVURULFWWCRMHF-BGPOSVGRSA-N 335.411 2.740 30 50 EFEA CC(=O)N1C[C@@H](NC(=O)C2(C#N)CCCCC2)CC[C@H]1C(F)(F)F 886036577 WVTCWMQBQIVJHU-STQMWFEESA-N 345.365 2.518 30 50 EFEA Cc1ccc(C)c(NC(=O)CSc2nc(N)c(C#N)cc2C#N)c1 18240456 GGOAOQCDKFJJPM-UHFFFAOYSA-N 337.408 2.755 30 50 EFEA C=CCN1C(=O)[C@](O)(CC(=O)c2cccc(OC)c2)c2ccccc21 315916 GVAOPXAUDVMANP-FQEVSTJZSA-N 337.375 2.688 30 50 EFEA C[C@@H](CO[C@H]1CCOC1)Nc1ccc(C#N)cc1Br 120062653 OSJIZBFAVZKUQB-JQWIXIFHSA-N 325.206 2.927 30 50 EFEA Cc1cc(N2CCN(c3cccc(C#N)c3)CC2)n2nc(C)c(C)c2n1 72473654 RXGFHEGDDMAGKS-UHFFFAOYSA-N 346.438 2.853 30 50 EFEA N#CC1(C#N)[C@@H](c2ccncc2)O[C@@]23CCCCC[C@@H]2[C@@]1(C#N)C(=N)O3 239339150 LTEPMQYWZQIEHW-VVWQDTPRSA-N 347.378 2.981 30 50 EFEA N#Cc1ccc(C2(C(=O)N3CC[C@@H](Oc4cccnc4)C3)CC2)cc1 188574693 LFJHZINCZARNSF-GOSISDBHSA-N 333.391 2.665 30 50 EFEA O=C(/C=C/c1cn(C[C@@H]2CCOC2)nn1)C(F)(F)c1ccccc1 864097021 ITRFXGMMCCXOSR-YBJDMEARSA-N 333.338 2.689 30 50 EFEA C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCC 2359658 ZERFGCUIXDWWKK-UHFFFAOYSA-N 336.461 2.672 30 50 EFEA CN(C)C[C@@H]1COCCN(Cc2ccc(-c3ccccc3C#N)o2)C1 215148888 YBCHOZJJHFJYLS-INIZCTEOSA-N 339.439 2.828 30 50 EFEA Cc1noc([C@H](N/C(O)=N/Cc2ccsc2)C2CCOCC2)n1 328615349 AUKDYRYPKBASNO-CYBMUJFWSA-N 336.417 2.611 30 50 EFEA COc1cc(OC)c2ncc(C#N)c(NC[C@@](C)(O)CSC)c2c1 281105235 FSLVTISCHNEEGM-QGZVFWFLSA-N 347.440 2.650 30 50 EFEA O=S(=O)(N/N=C\c1cnc2ccccc2n1)c1ccc(Cl)cc1 17072189 GCVDJZDOGZFDOI-ZDLGFXPLSA-N 346.799 2.596 30 50 EFEA Cc1ccc2c(c1)C(=O)C1=C(c3ccccc3S1(=O)=O)[Si]2(C)C 195807064 AMGRNYJBWOBRAE-UHFFFAOYSA-N 340.476 2.845 30 50 EFEA CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 287402945 SZOQSZMEYGYKKF-JMSVASOKSA-N 335.429 2.682 30 50 EFEA N#Cc1cccnc1N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 95516503 VLWVKKILBKPUCK-QGZVFWFLSA-N 344.422 2.977 30 50 EFEA Cc1ccc(CC(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 288100152 WWBYAKONHRGMIR-UHFFFAOYSA-N 340.452 2.523 30 50 EFEA N#Cc1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCC2 239173951 OZJNFSGUQNDZEB-FCIDVOKBSA-N 342.420 2.960 30 50 EFEA COc1ccccc1N1CCN(/N=C/c2cccc([N+](=O)[O-])c2)CC1 445869 FCRSLESJQWNSRH-XMHGGMMESA-N 340.383 2.760 30 50 EFEA C[C@]1(O)CCCN(C(=O)NCCSCc2ccccc2C#N)CC1 242389231 ZVIPXXMHEDOSPU-SFHVURJKSA-N 347.484 2.738 30 50 EFEA C=CCN1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(C)c(F)c2)C1=O 252485442 GVRBLCGESQYBQN-CJNGLKHVSA-N 333.407 2.623 30 50 EFEA C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)S(=O)(=O)Cc1ccc(C#N)cc1 1775993925 OMHRZYLLQVECNM-KEYYUXOJSA-N 348.468 2.556 30 50 EFEA N#Cc1c[nH]c(C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)c1 225403878 OMXUIYKWLAXDAD-IAQYHMDHSA-N 349.312 2.853 30 50 EFEA Cc1cc(C)nc(/N=C(\N)N2CCN(c3ccc(Cl)cc3)CC2)n1 54253623 DGUSTVDNIPTIPJ-UHFFFAOYSA-N 344.850 2.515 30 50 EFEA CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 252474679 JZFWPXOPVURGOW-MGBSGCIJSA-N 340.379 2.807 30 50 EFEA Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 252428502 IKZCSAPFNLJAJB-RBRAZUODSA-N 345.402 2.863 30 50 EFEA COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@@H]1CO1)CC2 1875372806 MUVWOTKPZWZAJE-DOTOQJQBSA-N 345.420 2.638 30 50 EFEA N#Cc1cc(Br)ccc1N[C@@H]1CC(=O)N2CCCC[C@H]12 328649207 IPZXBWOCMCUSRU-ZIAGYGMSSA-N 334.217 2.886 30 50 EFEA C#CCN(Cc1ccc(C)cc1)C1=CC(=O)N(Cc2ccccc2)C1=O 2325825810 CSYZRMBPCLNSGG-UHFFFAOYSA-N 344.414 2.883 30 50 EFEA C#CCCC1(CCNC(=O)[C@@H](CN2CCCC2)c2ccccc2)N=N1 2325891444 HEHYXLQWXOJTTJ-SFHVURJKSA-N 338.455 2.948 30 50 EFEA CC(C)N1C[C@H](/C(O)=N/[C@H](c2ccccc2)[C@H](C)C(=O)O)CC1=O 328595632 ZPIDNFBVYYLIEJ-BJJXKVORSA-N 332.400 2.662 30 50 EFEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)/C(O)=N/Cc1ccco1 328637020 VWLHYQIGEPCXCT-RDJZCZTQSA-N 328.416 2.713 30 50 EFEA N#Cc1cccc(N2CCCn3nc([C@H](O)c4ccccc4)cc3C2)n1 217444043 FOQKOAYYCSMUMX-HXUWFJFHSA-N 345.406 2.642 30 50 EFEA Cc1noc([C@@H]2CN(Cc3ccccc3C(C)(C)C#N)CCN2C)n1 284816903 JGDNTINGXAAFSJ-KRWDZBQOSA-N 339.443 2.668 30 50 EFEA C[C@H]1CCC(=O)N1c1cccc(NC(=O)N2CCC(C#N)CC2)c1 299779570 OVWHVZLPSOXOMG-ZDUSSCGKSA-N 326.400 2.969 30 50 EFEA CC1(C)OB(c2ccc(NC(=O)NCc3ccco3)cc2)OC1(C)C 169745886 DNWAWLFDNMFNSM-UHFFFAOYSA-N 342.204 2.901 30 50 EFEA in-vitro CC[C@H](CC#N)NC(=O)[C@@H](c1cc(Br)cs1)N(C)C 408514069 WNMZBHFURPKQEN-ZYHUDNBSSA-N 344.278 2.922 30 50 EFEA N#C[C@H](C(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1 20638265 FJUSMEHWDPJRAK-FQEVSTJZSA-N 333.435 2.681 30 50 EFEA COc1ccccc1N1CCN(Cc2cc(C#N)n(C)c2C)[C@H](C)C1 106986047 LYAWQQOLLNTFSI-OAHLLOKOSA-N 338.455 2.925 30 50 EFEA OCC[C@H]1CN(CC#Cc2ccccc2)CCN1Cc1ccsc1 20255566 XKMBAMOMVSZHRE-FQEVSTJZSA-N 340.492 2.668 30 50 EFEA CN(C)/C=N/C(=O)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 5197709 PXWMZQZRPPTOGP-NBALVOGESA-N 325.368 2.847 30 50 EFEA CO[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)c2C#N)C1 333902215 TVRDMJPMCOGSCG-FTUHBYGFSA-N 332.425 2.629 30 50 EFEA CC(C)(C)C(=O)Nc1ncc(F)c(C#N)c1I 66054393 NEYLPDAXAYJYQW-UHFFFAOYSA-N 347.131 2.682 30 50 EFEA in-vitro Cn1cc(CN2CCN(C3CC3)[C@H](C#N)C2)c(C2CCCCC2)n1 369463891 PJQYUUFEJUNLMN-GOSISDBHSA-N 327.476 2.640 30 50 EFEA C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)CO)CC[C@]12O 254478528 XKCAPZYNIKDWOX-GHMDXEKNSA-N 346.467 2.811 30 50 EFEA Cc1ccnc2c1CCN2C(=O)c1cnc(C(F)(F)F)c(C#N)c1 888077424 ALSCCIGEBFHMAI-UHFFFAOYSA-N 332.285 2.878 30 50 EFEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCOc2ccc(C#N)cc2)C1 888102568 BBQNLZZVTFRSCZ-MSOLQXFVSA-N 340.427 2.739 30 50 EFEA O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(Br)o1 100053332 PUQOAMYQHUAWOD-YDIXDCECSA-N 349.184 2.573 30 50 EFEA C[C@H]1CCN(C(=O)Cn2cnc(C#N)c2C#N)c2ccccc2S1 126087278 ODQYUHNDMYFKHW-LBPRGKRZSA-N 337.408 2.544 30 50 EFEA Cc1c(C#N)c2ccccc2n1CC(=O)N1CCC2(CCCO2)CC1 71405571 FMCNCRYHEIDOPH-UHFFFAOYSA-N 337.423 2.993 30 50 EFEA CC(=O)OC[C@@H](C)C[C@@H](C)COS(=O)(=O)c1ccc(C)cc1 43763067 ZQHNDXQNMTVXIG-UONOGXRCSA-N 328.430 2.926 30 50 EFEA C=CC[C@]1(C(=O)O)CCCN(C(=O)c2cccc3c2NCCC3)C1 91365104 BKAVGFBPEGHNQY-IBGZPJMESA-N 328.412 2.928 30 50 EFEA C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO 245190541 OMFXVFTZEKFJBZ-DYYHUOPESA-N 346.467 2.667 30 50 EFEA Cc1nc(-c2cccc(NC(=O)N[C@@H]3CCCN(O)C3=O)c2)cs1 1875269399 QYKKWNOBQJOUMJ-CYBMUJFWSA-N 346.412 2.620 30 50 EFEA COc1ccc(/C=N\N2CCN(c3ccccc3OC)CC2)cc1 13893011 WRHFUHFYJLUBQL-HKWRFOASSA-N 325.412 2.860 30 50 EFEA CCc1nc(SCC(=O)Nc2cccc(C)c2C)[nH]c(=O)c1C#N 5238937 KHZNRNAIWMDNGA-UHFFFAOYSA-N 342.424 2.552 30 50 EFEA C#CCCC1(CCNC(=O)c2ccccc2N2CCCCC2=O)N=N1 2325891632 RYIUFGSGIFCPJS-UHFFFAOYSA-N 338.411 2.899 30 50 EFEA C/N=C1\S[C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1C 101167184 SXTCIIFYJUGNSJ-VQZCRYCJSA-N 346.239 2.882 30 50 EFEA CC#CCn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O 123944426 XQEZTIQJHPZZSE-UHFFFAOYSA-N 332.285 2.624 30 50 EFEA COc1cccc(C[C@@]2(CO)CCCN(c3cccc(C#N)n3)C2)c1 71315040 DSNQRLNLQWTKMZ-FQEVSTJZSA-N 337.423 2.783 30 50 EFEA CCOC(=O)c1ccc(CNc2cc(C#N)c(C#N)cc2[N+](=O)[O-])o1 4628955 ZCCDOSJUYHWKTM-UHFFFAOYSA-N 340.295 2.720 30 50 EFEA Cc1nsc(NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c1C#N 367295464 QGQPWCXYNCIXCP-PWSUYJOCSA-N 331.401 2.916 30 50 EFEA Cc1ccc(-n2cccn2)c(-c2c(C#N)c(N)nc3c2C[C@H](N)CC3)c1 71751762 QENGSODPIRWKBL-CYBMUJFWSA-N 344.422 2.513 30 50 EFEA C=CCn1nnnc1SCc1nnc(-c2ccc(Cl)cc2)n1C 185009153 LRMPYTZRISFMGN-UHFFFAOYSA-N 347.835 2.600 30 50 EFEA Cc1ccc(S(=O)(=O)O[C@H](C#N)c2ccccc2[N+](=O)[O-])cc1 2023890 LTPIGNRUKWZMSY-OAHLLOKOSA-N 332.337 2.873 30 50 EFEA CCC(=O)/N=C(\Nc1cccc(OC)c1)Nc1nc(C)cc(C)n1 85259 PBLKYWYSALBZSA-UHFFFAOYSA-N 327.388 2.919 30 50 EFEA O=C(CC1=C(c2ccccc2)CCC1=O)N[C@H]1CCCN2CCC[C@@H]12 1772813405 ZVNXDWKUPLBIIU-OALUTQOASA-N 338.451 2.936 30 50 EFEA OC(=Nc1ccccn1)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 328586765 HRSDTRFWMCOFNS-QGZVFWFLSA-N 331.803 2.960 30 50 EFEA N#Cc1cc2c(nc1NCc1cc(O[C@@H]3CCNC3)ccn1)CCCC2 818627391 UBMIPWCOZOQPJQ-GOSISDBHSA-N 349.438 2.580 30 50 EFEA Cc1cc(CCNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)ccc1C#N 1875404660 PWLQSFUZULZXFP-OLZOCXBDSA-N 338.411 2.585 30 50 EFEA C#CCOc1ccccc1CN(C)C(=O)c1cnc2ccccc2n1 2325722489 JBCQUAXGMMJXTO-UHFFFAOYSA-N 331.375 2.914 30 50 EFEA C=CCNc1ccccc1C(=O)N[C@H](CO)COCc1ccccc1 55154959 VXJAYYCMZWTEOC-QGZVFWFLSA-N 340.423 2.592 30 50 EFEA N#Cc1ccc(CN2CCCN(C(=O)c3ccsc3)CC2)cc1 29984726 VLTWMDDSGVWRJK-UHFFFAOYSA-N 325.437 2.968 30 50 EFEA CN1CC[C@@H](C/N=C(/O)[C@@H](O)c2ccccc2)[C@@H]1c1cccnc1 328618177 DMOAGQOLTIXAEE-BZSNNMDCSA-N 325.412 2.765 30 50 EFEA COc1cnc(N=C(O)N2CC[C@@]3(C2)OCc2ccccc23)s1 329235963 JBAJZGSZSVUNBS-INIZCTEOSA-N 331.397 2.829 30 50 EFEA Cc1cc(C)c(C#N)c(N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)n1 77375032 SLLNEBDWDUVHJM-FQEVSTJZSA-N 338.455 2.942 30 50 EFEA N#CC1(C#N)[C@@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@H](c1cccnc1)O3 245236604 UTGGKOZCMLMNPO-LBTBCDHLSA-N 333.351 2.590 30 50 EFEA Cc1noc([C@]23CCC[C@H]2CN(CCOc2ccccc2C#N)C3)n1 888099423 YSUFYOUJVVISLY-LPHOPBHVSA-N 338.411 2.682 30 50 EFEA C=C(C)COc1ccccc1NC(=O)CC[C@H](C)N1CCN(C)CC1 952961717 YPOQLYDROZWRBF-KRWDZBQOSA-N 345.487 2.996 30 50 EFEA C=C[C@@H](C)NC(=O)N1CCC([C@@H]2OCCC[C@H]2c2nc(C)no2)CC1 1775992998 YAIRHQWWAHZMHV-WQVCFCJDSA-N 348.447 2.637 30 50 EFEA C=CCN1C(=O)/C(=C\c2ccc(OCC)cc2)C(C(=O)OC)=C1C 12411670 FCYBONMLSQAKOG-VBKFSLOCSA-N 327.380 2.944 30 50 EFEA N#Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(F)c1 315467 MJAXMEOSWBAGRU-UHFFFAOYSA-N 325.343 2.786 30 50 EFEA C#CCOc1ccc([C@H](CC)OC(=O)CCn2ccccc2=O)cc1 225689640 OGCPFAAPIRDKHT-SFHVURJKSA-N 339.391 2.945 30 50 EFEA Cc1csc(C/C(N)=N/OCc2csc([C@H]3CCCO3)n2)n1 153112523 TXRIFEHZRONEIL-LLVKDONJSA-N 338.458 2.791 30 50 EFEA C[C@H](NCCN1C(=O)c2ccccc2C1=O)c1ccc(C#N)cc1F 170072882 ISKCBDHAPUXBTO-LBPRGKRZSA-N 337.354 2.644 30 50 EFEA N#Cc1c(F)cccc1N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 818144452 GCZCPYHWEKHQDD-GOSISDBHSA-N 342.374 2.532 30 50 EFEA C=C[C@](C)(CC)C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 412770148 GORHYAABYRMSQI-LJQANCHMSA-N 330.472 2.732 30 50 EFEA COc1ccccc1O[C@@H]1CCCN(C(=O)c2cc(C#N)cn2C)C1 367613789 DUIBTQIQEISLAQ-OAHLLOKOSA-N 339.395 2.589 30 50 EFEA N#Cc1cnc(N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cn1 128130837 ADTVRZDSFBRXOL-UONOGXRCSA-N 334.301 2.679 30 50 EFEA CC(C)Cn1cc(C(=O)[C@H](C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cn1 170593739 VEVXYXNUAQHHAA-CWRNSKLLSA-N 330.432 2.556 30 50 EFEA Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2n[nH]c3c2CCCCC3)c1 190837363 OFAGGPXPYFBCNX-HNNXBMFYSA-N 336.395 2.948 30 50 EFEA CC1(C)OB(c2cccc(C(=O)NCc3ccco3)c2)OC1(C)C 169746077 CWNRULQRLNZAGF-UHFFFAOYSA-N 327.189 2.509 30 50 EFEA Cc1ccc(S(=O)(=O)/N=C2/NC(=O)/C(=C/c3ccco3)S2)cc1 5492390 BSDPSYPDEUCDSI-LCYFTJDESA-N 348.405 2.537 30 50 EFEA C=CCn1cc(C(=O)NCc2nc(C(=O)O)cs2)c2ccccc21 124261941 KYMWEUPPUVUWMT-UHFFFAOYSA-N 341.392 2.912 30 50 EFEA C=C(C)CN1CCC(NC(=O)c2nc(-c3ccccc3)ns2)CC1 902854382 UUMPHHLDYIKDPU-UHFFFAOYSA-N 342.468 2.975 30 50 EFEA Cc1cc(CN2CC[C@@H](C3CC3)[C@H]2c2nnc(O)n2C)ccc1C#N 1875399291 VCEFFPUJKNZUAW-IRXDYDNUSA-N 337.427 2.674 30 50 EFEA C=CCn1c(-c2cccs2)cn2cc(C(=O)NCCC)nc2c1=O 72475549 YMMGQLZXFQEWHK-UHFFFAOYSA-N 342.424 2.550 30 50 EFEA CCS[C@@H]1CCCCN(/C(O)=N/C[C@H]2CCCN(C(C)=O)C2)C1 328588343 CHVOMPWNXZKMMR-HZPDHXFCSA-N 341.521 2.767 30 50 EFEA N#Cc1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCC2 239173952 OZJNFSGUQNDZEB-NBLIUIFLSA-N 342.420 2.960 30 50 EFEA N#Cc1ccc(C(=O)N(Cc2ccccn2)[C@H]2CCCNCC2)cc1 186603649 JFHCFDSOUNJDEK-IBGZPJMESA-N 334.423 2.738 30 50 EFEA COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1cccc(Cl)c1 13519313 JHHBTHAUHPMWAV-BCQZVRRWSA-N 347.798 2.596 30 50 EFEA CCOc1ccc(/C=N/n2c(S)nnc2-c2ccncc2)cc1 4363947 ADSORNYGCZCPOY-WOJGMQOQSA-N 325.397 2.910 30 50 EFEA COc1ccc2c(c1)C[C@@H](C(=O)Nc1nn(C(C)C)cc1C#N)CO2 161054986 XAEPELJTSNBLJZ-CYBMUJFWSA-N 340.383 2.534 30 50 EFEA O=C(/C=C/c1nccn1CC(F)(F)F)c1ccc(O)c([N+](=O)[O-])c1 136502207 IESRWFPOIGUMKY-ONEGZZNKSA-N 341.245 2.955 30 50 EFEA C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@]2(CCCOC2)O1 253432435 ZLOINURWIFLDAG-ABAIWWIYSA-N 341.333 2.746 30 50 EFEA N#Cc1ccccc1NC(=O)CCN1C[C@@H](O)C[C@H]1C1CCCCC1 230148794 JTLNTEVGBGYMRH-HKUYNNGSSA-N 341.455 2.902 30 50 EFEA CO[C@H]1C[C@H](NC(=O)N2C[C@@H](C#N)[C@H](c3ccccc3)C2)C1(C)C 332983957 SELQUWBVIDZJIV-QZWWFDLISA-N 327.428 2.749 30 50 EFEA CC(C)(O)C#Cc1cccc(C(=O)N(CCO)C2CCCCC2)c1 952873533 LHEGCQVORRJQKG-UHFFFAOYSA-N 329.440 2.576 30 50 EFEA Cc1cccc(N(CCC#N)C(=O)Cn2ccc(C)c(C#N)c2=O)c1C 163844997 NUTSNUKEWWMIDE-UHFFFAOYSA-N 348.406 2.592 30 50 EFEA Cc1ccccc1-c1nc(C#N)c(S(=O)(=O)N2CCC[C@H](C)C2)o1 1775965056 SNQADDHXFXQMPI-LBPRGKRZSA-N 345.424 2.942 30 50 EFEA COc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)c(OC)c1 19771328 PKUJGZBFJHGVPO-RCCKNPSSSA-N 339.439 2.856 30 50 EFEA C#CCCC1(CCNC(=O)C2CCN(c3nc(C)cs3)CC2)N=N1 2325891043 NEQOZNUJNVPDPG-UHFFFAOYSA-N 345.472 2.750 30 50 EFEA CC1=NN(Cc2ccccc2)C(=O)[C@@H]1[C@@H](c1ccncc1)C(C#N)C#N 271761 MXVQLLCNOKPDHM-OALUTQOASA-N 343.390 2.863 30 50 EFEA CN(Cc1nccc(=N)[nH]1)[C@H]1CCCN(CC(C)(C)CCC#N)CC1 328641235 QMXHQFVRTFVBBA-INIZCTEOSA-N 344.507 2.505 30 50 EFEA N#Cc1ccc(NC[C@H]2COC3(CCOCC3)O2)c(C(F)(F)F)c1 129628452 WMRPPQPEAGJDIF-LBPRGKRZSA-N 342.317 2.911 30 50 EFEA Cc1cc(Br)c(S(=O)(=O)N[C@@]2(C#N)CC2(C)C)s1 290992383 UDVSTMQHDSRXNP-LLVKDONJSA-N 349.275 2.790 30 50 EFEA C=CCNC(=O)[C@@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 12597447 LACVCDQSBPYRJR-LJQANCHMSA-N 341.499 2.665 30 50 EFEA CN(C)c1ncncc1NC(=O)c1coc(C#Cc2ccccc2)c1 1875261713 OEYFGKOBELBQNA-UHFFFAOYSA-N 332.363 2.788 30 50 EFEA C=CCNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 2926215 PJVJXVSDFGGSSK-UHFFFAOYSA-N 344.436 2.569 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)COc2ccc(C)c(C)c2)cc1 4819734 YRKSQAQGPMRBFG-UHFFFAOYSA-N 328.368 2.555 30 50 EFEA COc1ccc(/C=N/[C@H]2C(S)=NN=C2c2ccccn2)cc1OC 102285663 WGAGEDPBWTYWGU-MWJIIQFGSA-N 340.408 2.633 30 50 EFEA CSc1nsc(N=C(O)N2CCC[C@H](OCC3CC3)C2)n1 328587702 FMHMMNLMGIXIGP-JTQLQIEISA-N 328.463 2.697 30 50 EFEA C[C@H](/N=C(/O)N1CCOC[C@@H]1[C@H]1CCCO1)c1cccc(F)c1F 329302811 WOXUZPJUZFEHDJ-NILFDRSVSA-N 340.370 2.820 30 50 EFEA C=CCc1c(C)nc(N)nc1N1CCC[C@@H](OCc2ccccn2)C1 91724626 LSDJRVQZPQLJPB-MRXNPFEDSA-N 339.443 2.676 30 50 EFEA C=CCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 95375553 MDJDYXPKRDFJJS-DFQSSKMNSA-N 326.440 2.660 30 50 EFEA Cc1ccc(-n2nc(N[C@@H](C)C(=O)N(C)CCC#N)cc2C)cc1 188651039 NKFLATBAXQADJQ-HNNXBMFYSA-N 325.416 2.662 30 50 EFEA Cc1ccc(SCC(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)cc1 5047631 ILSORKNJCGIWAZ-UHFFFAOYSA-N 345.380 2.859 30 50 EFEA C=CCCS(=O)(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 368563538 MJGNRJJOOSGARC-UHFFFAOYSA-N 337.367 2.514 30 50 EFEA C#CCCS(=O)(=O)N[C@@H]1CC[C@H](C)C[C@H]1OCc1ccccc1 2325823105 FIXHOWLNCVXXTN-CGTJXYLNSA-N 335.469 2.703 30 50 EFEA C#CCOc1ccc(NC(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)cc1 110668053 FHNJETLKEHLXLI-QEEIZYTISA-N 348.468 2.900 30 50 EFEA N#Cc1cc(/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)c[nH]1 328616828 CCMKPQQSOTYRSZ-SECBINFHSA-N 337.305 2.669 30 50 EFEA Cn1cc(CN2CCN(C3CC3)[C@@H](C#N)C2)c(C2CCCCC2)n1 369463897 PJQYUUFEJUNLMN-SFHVURJKSA-N 327.476 2.640 30 50 EFEA CC(C)[C@@H](C(N)=O)n1cc(-c2ccc(-c3ccccc3C#N)o2)nn1 91586591 UROZYRRLVQAIIZ-KRWDZBQOSA-N 335.367 2.759 30 50 EFEA CC1(C)OB(c2ccnc(C(=O)OCc3ccccc3)c2)OC1(C)C 390825219 VLLTWFCTBVHJNQ-UHFFFAOYSA-N 339.200 2.738 30 50 EFEA Cc1ccc(C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1C#N 375612981 PHHXJMOAANRZOQ-SFHVURJKSA-N 328.412 2.667 30 50 EFEA C#CCCC1(CCC(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)N=N1 1875288809 FAOPLMASGQYEIR-RDJZCZTQSA-N 328.416 2.796 30 50 EFEA CC(C)(C)OC(=O)N1CCN(Cc2cccc(C#N)c2F)[C@@H](C#N)C1 408516439 CYTZWDRFIFPINI-HNNXBMFYSA-N 344.390 2.642 30 50 EFEA O=C(C[C@@H]1COCCN1CC#Cc1ccc(F)cc1)c1ccco1 121066340 CCBORXREKQYOJL-QGZVFWFLSA-N 327.355 2.744 30 50 EFEA Cc1ocnc1/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328643396 YWGATOJDKGWFRA-SECBINFHSA-N 328.294 2.766 30 50 EFEA C[C@@H](/N=C(/O)C1CCCC1)C(=O)N1CC=C(c2ccnn2C)CC1 329278213 JQECGDHCKPQNBN-CYBMUJFWSA-N 330.432 2.571 30 50 EFEA CC/N=C(/NCc1ncc(C)s1)N[C@H]1CCN(C2CCCC2)C1 86741184 QSYXFNUWDZOVNU-AWEZNQCLSA-N 335.521 2.524 30 50 EFEA C=CCN1C(=O)CC[C@@H]1CCNCc1cc2c(cc1Cl)OCO2 15068261 CKQPWWHXSLOMDV-CYBMUJFWSA-N 336.819 2.725 30 50 EFEA CN1CCc2ccc(Nc3nc4c(cc3C#N)CN(C)CC4)cc2C1 2325775502 AAGINIGXZMGEHN-UHFFFAOYSA-N 333.439 2.673 30 50 EFEA Cc1cc(C#N)cc(C)c1CNCc1ccc2c(c1)CCS2(=O)=O 921839437 YNTZKBRAXCBNGM-UHFFFAOYSA-N 340.448 2.795 30 50 EFEA CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(N=[N+]=[N-])ccc1-2 8022464 CFSOJZTUTOQNIA-UHFFFAOYSA-N 326.316 2.576 30 50 EFEA in-vivo C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1CCC(=O)O 237503344 VQKKNKSBQJTGFO-UKRRQHHQSA-N 330.384 2.571 30 50 EFEA Cc1ccc(NC[C@H]2CC(=O)N(CCc3ccccc3)C2)nc1C#N 195576760 ZQCVZRNXELIWHF-QGZVFWFLSA-N 334.423 2.765 30 50 EFEA N/C(=N\OC(=O)COc1ccc(Cl)cc1Cl)c1ccccn1 13634375 AAYBTXIBUFVFKT-UHFFFAOYSA-N 340.166 2.631 30 50 EFEA Cc1ccc(/C(N)=N/OC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 18251046 LVVVWJLQYOQHGY-GFCCVEGCSA-N 327.340 2.870 30 50 EFEA CN(CC(C)(C)C#N)S(=O)(=O)c1cc(C(=O)O)c2ccccc2c1 871967113 AZGIQYQGCOELLD-UHFFFAOYSA-N 346.408 2.708 30 50 EFEA C#Cc1ccc(CN(C(=O)C=C)c2cc3c(cc2F)CCNC3=O)cc1 1875388917 VMXSRNOFWAPVNY-UHFFFAOYSA-N 348.377 2.812 30 50 EFEA C#CCCC1(CCC(=O)N2CCN[C@H](c3ccc(F)cc3)C2)N=N1 2325892381 LJTYFYKCFMTZAA-INIZCTEOSA-N 328.391 2.654 30 50 EFEA N#Cc1cccc(/C=C/C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)c1 110762991 DFBSHEGCLXFSPO-RCMYXZNBSA-N 347.422 2.904 30 50 EFEA C[C@@H](c1ccccc1F)N1CCC[C@H](Nc2cncc(C#N)n2)C1=O 420636412 MIROYGAHCXUFIQ-LRDDRELGSA-N 339.374 2.651 30 50 EFEA O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)cc2)cc1 17071165 UPYPGPSPTUMMNG-OQLLNIDSSA-N 339.760 2.561 30 50 EFEA N#Cc1c[nH]c(C(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 278030860 WUMKLNYHWVELES-SNVBAGLBSA-N 337.305 2.648 30 50 EFEA C=C1[C@@H]2CC[C@]3([C@@H]4C[C@@H]5[C@]6(C)CCC[C@@]5([C@H]3C2)[C@@H](OC6=O)O4)[C@@H]1O 1772820108 DNBGAGAUTOKWGJ-DEULPXIWSA-N 330.424 2.798 30 50 EFEA CC#CC(=O)N1CCC2(CC1)C[C@@H]2C(=O)NCCC1=CCCCC1 11968874 ZVWFKCVDDTXMFS-QGZVFWFLSA-N 328.456 2.645 30 50 EFEA C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1/C=C/C1=CCOC1=O 15954341 XMJAJFVLHDIEHF-GJIVJBTMSA-N 332.440 2.768 30 50 EFEA biogenic C#CCCC1(CCNC(=O)CCc2nnc(C3CCCC3)o2)N=N1 2325891199 XIYDLSAMVVBSIJ-UHFFFAOYSA-N 329.404 2.742 30 50 EFEA C#CCOc1ccc([C@H]2SCC(=O)Nc3[nH]nc(C)c32)cc1OC 21525190 RSAPIUJSUAFSQE-MRXNPFEDSA-N 343.408 2.513 30 50 EFEA Cc1ncc(C/N=C(/O)NC2CCN(c3nccs3)CC2)s1 329240500 MSLCWBGZERSLMO-UHFFFAOYSA-N 337.474 2.581 30 50 EFEA C[C@@H]1OCCC[C@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 277329253 VGEZLPZJGKWLOI-KBXCAEBGSA-N 328.412 2.743 30 50 EFEA COCCC1(C/N=C(/O)N2CC[C@@H]3CCN(C)C[C@@H]32)CCCCC1 328589021 XUSJQQHUGICUJP-IRXDYDNUSA-N 337.508 2.913 30 50 EFEA CC1(C)Cc2c(cnn2-c2ccccn2)CN(CCOCCC#N)C1 952892434 NLQRMZBWXNIAQS-UHFFFAOYSA-N 339.443 2.582 30 50 EFEA C[C@H]1CC(=NC(=O)Cc2ccc(Oc3ccnc(C#N)c3)cc2)NO1 2325716046 QUIRMWRFUAGMES-LBPRGKRZSA-N 336.351 2.527 30 50 EFEA C[C@@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1cccc(C#N)c1 371215164 IMPZOPDSSHYDAU-ZDUSSCGKSA-N 332.363 2.969 30 50 EFEA Cc1noc(C)c1CO[C@@H]1CCN(c2nc3ccccn3c2C#N)C1 302131500 BLQBOVKEVHKFKS-CQSZACIVSA-N 337.383 2.606 30 50 EFEA COc1ccc(S(=O)(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc1 355122 AEMJPJXCQHRNTM-WOJGMQOQSA-N 343.408 2.797 30 50 EFEA COc1ccc(C(=O)/C=C/Nc2ccccc2C(N)=O)cc1OC 465696 IVVYYFJJRPPSAE-MDZDMXLPSA-N 326.352 2.611 30 50 EFEA CC(C)n1cnc(/C(O)=N/[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1 328586577 HLGMCYCEZCOIOA-HIFRSBDPSA-N 326.400 2.963 30 50 EFEA CN1CCN(Cc2ccccc2C#Cc2ccccc2)C[C@H]1CCO 104524049 XPFNDXNYPUZTHQ-JOCHJYFZSA-N 334.463 2.585 30 50 EFEA C=C(C)COc1ccc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1 217826088 IDYAUXHBOWKLIU-OAHLLOKOSA-N 343.379 2.616 30 50 EFEA biogenic C=CCNC(=O)CCN1CCC(c2nc3cc(C)ccc3[nH]2)CC1 252500745 TUWXBPSRPYYJIA-UHFFFAOYSA-N 326.444 2.743 30 50 EFEA C#CCCC1(CCC(=O)N[C@H](c2nnc3ccccn23)C(C)C)N=N1 952880525 GPUUNNCDQOWMSN-INIZCTEOSA-N 338.415 2.898 30 50 EFEA CCOCCC1(CNC(=NC)N2C[C@@H](CC)O[C@H](CC)C2)CC1 1875273943 LVRCPSGITHLQPV-HZPDHXFCSA-N 325.497 2.658 30 50 EFEA CC(C)n1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1Cc1cc(C#N)c[nH]1 1875399095 OQDOZBPLXHLCLK-HOTGVXAUSA-N 340.431 2.738 30 50 EFEA N#Cc1nn(CC(=O)C2CCC(F)(F)CC2)cc1Br 1775998182 AYMZUGKWYVNDIH-UHFFFAOYSA-N 332.148 2.912 30 50 EFEA C#CCCC1(CCC(=O)N2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)N=N1 2325892786 CLRZUIQVRGBJRE-CVEARBPZSA-N 345.443 2.876 30 50 EFEA Cc1nc(CN(C)[C@H]2CCCN(C(O)=Nc3ccsc3)CC2)no1 328625168 CVZDAVIFOLILLW-AWEZNQCLSA-N 349.460 2.972 30 50 EFEA Cc1nc2c(s1)CCC[C@H]2CN(C)/C(O)=N/Cc1c[nH]nc1C 328621894 IAVDHMNQOQUIQX-LBPRGKRZSA-N 333.461 2.949 30 50 EFEA Cc1ccc(C)c([C@@H]2CCCN2S(=O)(=O)N(C)C[C@H](C)C#N)c1 240934436 JCBRLFHNRVNWPC-PBHICJAKSA-N 335.473 2.777 30 50 EFEA N#Cc1cccnc1N1CCN(C(=O)C[C@H]2CCc3ccccc32)CC1 91706966 HOZMEIIAGHRUSM-QGZVFWFLSA-N 346.434 2.722 30 50 EFEA N#Cc1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccncc3)CC2)c1 183711050 SOTZTKRNKKTPGU-UHFFFAOYSA-N 337.383 2.938 30 50 EFEA C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(c1cncc(C#N)n1)C2 707889740 PQLZGZHUNSTUFD-PMACEKPBSA-N 333.439 2.697 30 50 EFEA C=C(C)C(C)(C)C(=O)N1CCc2ccc(S(C)(=O)=O)cc2CC1 424817281 CAMYDLBVPAFTGR-UHFFFAOYSA-N 335.469 2.620 30 50 EFEA N#Cc1ccc(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)cc1 952848772 UGUTWNWNTUXJSD-SJORKVTESA-N 347.422 2.820 30 50 EFEA CC1=CC(=NOS(=O)(=O)c2ccc(Cl)cc2)C=C(C)C1=O 2864134 NFADOPUCPINMQV-UHFFFAOYSA-N 325.773 2.877 30 50 EFEA C=CCN(CC=C)S(=O)(=O)c1nc(C)c(Cl)c(C)c1C#N 1425200 VMYMNIXNEFHRIO-UHFFFAOYSA-N 325.821 2.586 30 50 EFEA CCOc1cc(/C=N/N=C(N)N)ccc1OCc1ccc(Cl)cc1 4151800 JIZJRSNIKWMADT-UFFVCSGVSA-N 346.818 2.925 30 50 EFEA Cc1ccncc1N=C(O)N1CC[C@@H](Oc2cccnc2N(C)C)C1 328627795 NCXOVPJTFJQHJL-CQSZACIVSA-N 341.415 2.550 30 50 EFEA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1N=Cc1ccc(Cl)cc1 244795599 RJMHKOAACSZNAE-WGGGBPLMSA-N 326.783 2.727 30 50 EFEA C#CCN(CC=C)C(=O)c1cc(Cn2cnc3cc(C)c(C)cc32)[nH]n1 12433646 XVQRUBUDBLXLQY-UHFFFAOYSA-N 347.422 2.686 30 50 EFEA N#C[C@H]1N(Cc2ncnn2-c2ccccc2)CCC[C@@]12CCCCO2 240278313 DQJSTNGEAUBVDN-MJGOQNOKSA-N 337.427 2.695 30 50 EFEA O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@H]2CO2)CC1 1875372246 BAJYUZSARFQUGK-CYBMUJFWSA-N 343.210 2.569 30 50 EFEA C=CC(=O)Nc1ccc(CC(=O)NCc2ccc(C#N)c(F)c2)cc1 2325894311 RQEIHVAOXCZRJX-UHFFFAOYSA-N 337.354 2.681 30 50 EFEA C=CCC[C@H](CN(C)Cc1cccnc1)Oc1cc(OC)ncn1 67849852 MIUKWINPCQWAHH-MRXNPFEDSA-N 328.416 2.726 30 50 EFEA Cc1c(C#N)c2ccccc2n1CC(=O)N1CCC[C@@H](N(C)C)CC1 72159193 FKBLTIXXSHNIEW-MRXNPFEDSA-N 338.455 2.764 30 50 EFEA Cc1ccccc1-c1nc(C#N)c(S(=O)(=O)N2CCC[C@@H](C)C2)o1 1775965055 SNQADDHXFXQMPI-GFCCVEGCSA-N 345.424 2.942 30 50 EFEA Cc1cc(NCCCN2CCOCC2)n2c(nc3ccccc32)c1C#N 19594240 FCBWSZQDQYVMJC-UHFFFAOYSA-N 349.438 2.802 30 50 EFEA CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)CCCO1 332213135 HMMNVNPESNCFRI-CQSZACIVSA-N 342.848 2.647 30 50 EFEA COCCC1(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)CCC1 160078394 BMYMFQMMKICLAA-GOSISDBHSA-N 341.455 2.602 30 50 EFEA COCc1cccc(OCC2(CO/N=C/c3ccnc(O)n3)CC2)c1 2325871429 LBGKIYLTXBBWTH-KEBDBYFISA-N 343.383 2.538 30 50 EFEA C#CCCC1(CCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)N=N1 2325891058 OCSJQQZDBWYSTL-KRWDZBQOSA-N 335.411 2.609 30 50 EFEA CC(C)(C)O/C(O)=N/CCC(=O)N1CCC=C(c2ccccn2)C1 328592390 VKEPACPQSFKCFV-UHFFFAOYSA-N 331.416 2.817 30 50 EFEA Cc1nc(C(=O)N2Cc3ccccc3[C@@H](n3cccn3)C2)ccc1C#N 364596526 VEDXDSPSEMLZGW-IBGZPJMESA-N 343.390 2.704 30 50 EFEA Cc1ncc(/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)[nH]1 328617437 CTLSEIXLZGXDMS-SECBINFHSA-N 327.310 2.501 30 50 EFEA C=CCN1C(=O)/C(=C\c2cc3c(cc2OC)OCO3)SC1=S 2830724 AXHGEGPCNYGXSK-AWNIVKPZSA-N 335.406 2.811 30 50 EFEA CC(C)(C)OC(=O)N1C[C@H](Cc2cccc(C#N)c2)C[C@H]1C(=O)O 4241469 UXYOWAFFGWIGHV-CABCVRRESA-N 330.384 2.811 30 50 EFEA CCOC(=O)[C@@H]1CCCN(CCCCOc2ccccc2C#N)C1 6703132 IEQJDZKUFNVRDT-QGZVFWFLSA-N 330.428 2.992 30 50 EFEA C=CCNS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2C)cc1 6726535 XMTVIMKCDDWWGL-UHFFFAOYSA-N 344.436 2.641 30 50 EFEA CC(C)Cn1ccnc1C/N=C(/O)[C@@H]1CCO[C@H]1c1ccnn1C 328632467 RXSFMSDVNJUTIN-CZUORRHYSA-N 331.420 2.507 30 50 EFEA Cn1cc(N=C(O)c2cnn(C(C)(C)C)c2C(F)(F)F)ccc1=O 330531480 MOHOMZMCASOWFO-UHFFFAOYSA-N 342.321 2.992 30 50 EFEA C=CCCN1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1 72128203 MSAYELKHNYUBSV-GOSISDBHSA-N 329.488 2.858 30 50 EFEA C/C(=N\NS(=O)(=O)c1ccc(CC(C)C)cc1)c1cn(C)nc1C 17072442 MTPXYNPLBLMHRA-QGOAFFKASA-N 348.472 2.630 30 50 EFEA CC(C)[C@H]1O[C@@]2(C)OC3=NC(=N)[C@@](C#N)([C@@H]2c2ccccc2)[C@]31C#N 230041738 ZGAYWLBTBNDYAN-WTWWFLFCSA-N 334.379 2.981 30 50 EFEA C#CCCCC(=O)N(C)[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 408514663 UHQNSNKQRCYPLG-HNNXBMFYSA-N 348.468 2.549 30 50 EFEA N#Cc1c[nH]c(C(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 278030856 WUMKLNYHWVELES-JTQLQIEISA-N 337.305 2.648 30 50 EFEA C=CC[C@@H](CC)NC(=O)N1CCc2c(nnn2-c2ccccc2)C1 366367119 XBSGZJLZYMDAMT-CQSZACIVSA-N 325.416 2.690 30 50 EFEA Cc1nc(C(=O)N2CCCN(Cc3ccccc3)CCC2)ccc1C#N 1775988535 UCSJSYDFNHAZIF-UHFFFAOYSA-N 348.450 3.000 30 50 EFEA CCc1ccc(-c2cc(-c3cn(CCO)nc3C)c(C#N)c(N)n2)cc1 67833922 KUBLYYZFEDPPQG-UHFFFAOYSA-N 347.422 2.929 30 50 EFEA COc1ccccc1O[C@H]1CCCN(C(=O)c2ccc(C#N)nc2)C1 375965881 UGNIOSZTEZQBRU-INIZCTEOSA-N 337.379 2.645 30 50 EFEA COc1ccc(-c2nnc(S)n2/N=C/c2ccco2)cc1OC 1261618 FDKJPDNJKOWFAF-CXUHLZMHSA-N 330.369 2.726 30 50 EFEA COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(C(=O)O)c1OC 3897358 DZHKCOCZYQVFIV-RQZCQDPDSA-N 345.311 2.756 30 50 EFEA C=CCn1c(SCC(N)=O)nnc1[C@@H](C)Oc1ccc(C)c(C)c1 6731291 INTHYHNNOJTEGQ-CYBMUJFWSA-N 346.456 2.798 30 50 EFEA C[C@@H](C#N)CN(C[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1 341908718 KFQSLWRNEUYHMF-FXAWDEMLSA-N 327.472 2.902 30 50 EFEA Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 253396266 MWEMXCPTSIFYQE-ZACQAIPSSA-N 348.468 2.571 30 50 EFEA O=C([C@H]1CC12CCN(/C(O)=N/CC(F)(F)F)CC2)N1CCCCC1 328586936 FWCSEQNEVJIQAL-GFCCVEGCSA-N 347.381 2.577 30 50 EFEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cccc(C#N)c1 328619529 FZNSWAAQHYETNV-OALUTQOASA-N 334.423 2.718 30 50 EFEA Cc1nc(CCN(C)C(=O)CC2=C(c3ccccc3)CCC2=O)no1 426545050 LMDAZPKVQBYWFB-UHFFFAOYSA-N 339.395 2.586 30 50 EFEA CCN1CCCC[C@H]1C(=O)N1CCC(C#N)(c2ccccc2)CC1 97637984 GKACTYAOFNMXFN-SFHVURJKSA-N 325.456 2.945 30 50 EFEA NS(=O)(=O)c1ccc(/N=C/c2ccc(Br)cc2)cc1 61348 VMZOLDHBHAOFQB-CXUHLZMHSA-N 339.214 2.847 30 50 EFEA Cc1ccc(F)cc1CN1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 378501834 XDEPXNHVHSOTCJ-YWZLYKJASA-N 335.382 2.980 30 50 EFEA Cc1nnc([C@]23CCC[C@H]2CN(c2ccc(Cl)c(C#N)n2)C3)o1 912374227 WLDMGTKSGJLDTH-ZBEGNZNMSA-N 329.791 2.856 30 50 EFEA C#CCCC1(CCC(=O)N2CCC[C@@H](OCC(F)(F)F)C2)N=N1 952882467 UNOYQPNFUYOXRV-GFCCVEGCSA-N 331.338 2.912 30 50 EFEA CCN(C[C@H](C)C#N)C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 229387000 DUNSIKNNUVUKSC-CABCVRRESA-N 330.432 2.925 30 50 EFEA O=C(c1ccccc1)c1cc[n+](CC(=O)c2ccccc2[N+](=O)[O-])cc1 5735438 UBLVSKJWQPUSSO-UHFFFAOYSA-N 347.350 2.996 30 50 EFEA CCNC(=S)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 2542567 KVOYLBCOKODLFF-LICLKQGHSA-N 333.438 2.785 30 50 EFEA N#Cc1c(SCC(N)=O)nc2c(c1-c1ccc(O)cc1)CCCC2 245777 LNONQXVVUWXYQE-UHFFFAOYSA-N 339.420 2.782 30 50 EFEA CCN(CC)C(=O)c1ccc[n+](CC(=O)Nc2ccc(Cl)cc2)c1 1726172 UOSHLFWAKYFKAS-UHFFFAOYSA-O 346.838 2.748 30 50 EFEA N#Cc1ccnc(N2CCC(Oc3ccccc3F)(C(=O)O)CC2)c1 72426639 ROQWKHVLBLAEHK-UHFFFAOYSA-N 341.342 2.595 30 50 EFEA N#CC1(CCCN2CCC[C@@](O)(C(F)(F)F)CC2)CCOCC1 375767808 JGWVGPAVICCZER-HNNXBMFYSA-N 334.382 2.866 30 50 EFEA Cc1n[nH]cc1C1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 375965832 TVBVXSMGWLTJRG-GOSISDBHSA-N 347.422 2.678 30 50 EFEA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 257345451 LCZBQMKVFQNSJR-OHFNBNKZSA-N 346.467 2.809 30 50 EFEA N#Cc1ccc(C2CCN(S(=O)(=O)C3[C@H]4CCCC[C@H]34)CC2)nc1 1875290494 MDWUKCVQWVVMRV-HOTGVXAUSA-N 345.468 2.651 30 50 EFEA C=C1CC(C)(c2noc([C@@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)n2)C1 896916498 XXWKIBRWBTVGKY-CABCVRRESA-N 343.427 2.586 30 50 EFEA Cc1[nH]c2ccccc2c1CCNCc1cn(C)c2c(C#N)cnn12 2325800896 LPRVRQPGDWNBRB-UHFFFAOYSA-N 332.411 2.667 30 50 EFEA C#CCOc1cc([C@H]2CC(=O)Nc3c2cnn3C(C)C)ccc1OC 72115579 NQIPVYIUBKJMIC-CQSZACIVSA-N 339.395 2.959 30 50 EFEA Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccncc3F)C2)n1 122868778 JUNCOXRCBNXMFS-AWEZNQCLSA-N 339.374 2.651 30 50 EFEA CC1(C)[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C[C@H]21 281862810 ZTRMTWOTIDZZQG-CHWSQXEVSA-N 344.358 2.854 30 50 EFEA C=CC[C@]1(C(=O)O)CCCN(Cc2cc3c(cc2OC)OCO3)C1 91819244 YYOSWCRECCJVBS-SFHVURJKSA-N 333.384 2.667 30 50 EFEA C=C(C)Cn1c([C@H]2COc3ccccc32)nnc1N1CC[C@H](OC)C1 1343232063 DBYCOOFRRGNMHS-HOCLYGCPSA-N 340.427 2.604 30 50 EFEA Cc1ccc([C@@H]2C[C@H](C)N(S(=O)(=O)c3cccnc3C#N)C2)cc1 278400067 NQJWRDPOVNDNCN-GOEBONIOSA-N 341.436 2.828 30 50 EFEA Cc1cc2c(cc1C)[C@H](C(=O)Nc1nc3n(c1C#N)CCS3)CO2 239359525 AEMDFZRYVRBIAN-GFCCVEGCSA-N 340.408 2.592 30 50 EFEA Cc1sc(NC(=O)Cn2cnc3ccccc3c2=O)c(C#N)c1C 2869417 QTNVUSNHEQAVEC-UHFFFAOYSA-N 338.392 2.585 30 50 EFEA CCOC(=O)/C(=C\c1c(C)n(C)c2ccc([N+](=O)[O-])cc12)C(C)=O 4990353 ZCGLQZOKVZMGPE-ZROIWOOFSA-N 330.340 2.930 30 50 EFEA C=CCn1cc(CNC2CCN(c3ccc(Cl)nn3)CC2)c(C)n1 63883685 BBSLWINLEBFGRG-UHFFFAOYSA-N 346.866 2.580 30 50 EFEA Cc1cc(C#N)nc(N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)n1 284952300 JUMNRPTWMZPSMI-IUODEOHRSA-N 348.328 2.988 30 50 EFEA CCO[C@H]1C[C@H](NCCOc2cccc(C#N)c2)C12CCOCC2 286291539 VCSLWVKWUPABDR-ROUUACIJSA-N 330.428 2.501 30 50 EFEA CC1(C)OB(c2ccc3cc(NS(C)(=O)=O)ccc3c2)OC1(C)C 169964282 PZNVTOFDKURNCF-UHFFFAOYSA-N 347.245 2.511 30 50 EFEA in-vitro CC(C)N1CCC[C@H](O/N=C/C(=O)Nc2ccccc2Cl)C1=O 170651777 MPTFCGGFWRSYGL-XKYMITNMSA-N 337.807 2.680 30 50 EFEA CCOc1ccc(/C=N/n2c(S)nnc2-c2cccnc2)cc1 1478505 BETOLCHCGYUWTP-VCHYOVAHSA-N 325.397 2.910 30 50 EFEA C=CC(=O)Nc1ccc(O)c(C(=O)N2CC[C@@H](CC#N)C(F)(F)C2)c1 1875297160 FDGFRVOMOVCZEL-LLVKDONJSA-N 349.337 2.528 30 50 EFEA C=CC[C@H](C(=O)NCc1nc[nH]c1C(=O)OCC)c1ccccc1 1304142385 MOVSETLHDSRMNW-AWEZNQCLSA-N 327.384 2.563 30 50 EFEA CC(=O)C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc([N+](=O)[O-])cc1 450044 HVLPFDOKDTZXJZ-GFCCVEGCSA-N 345.336 2.540 30 50 EFEA CC(=O)N1CCCN(c2ccc(F)cc2N/C(O)=N/[C@@H]2C[C@H]2C)CC1 328587742 GOOMGVLWADSSAC-IUODEOHRSA-N 348.422 2.619 30 50 EFEA Cn1nccc1[C@H]1OCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N 284575880 OSYBRRIDDYCODR-GWCFXTLKSA-N 337.305 2.648 30 50 EFEA Cc1ccc([C@H]2CN(C(=O)NCc3cccc(C#N)c3)CCO2)o1 170053594 OYRFRFNRRZPNDN-QGZVFWFLSA-N 325.368 2.743 30 50 EFEA COc1ccc(N/C(C)=C/C(=O)ONC(=O)c2ccccc2)cc1 100527581 OBVWMPVLWGLDQD-OUKQBFOZSA-N 326.352 2.899 30 50 EFEA C/N=C1\S[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1C 101167187 SXTCIIFYJUGNSJ-JITTUONFSA-N 346.239 2.882 30 50 EFEA O=[N+]([O-])c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59706049 NUBUWXTYLGHEJH-RIYZIHGNSA-N 331.244 2.857 30 50 EFEA Cn1cncc1[C@@H]1C[C@H](/N=C(/O)[C@H]2COc3ccccc32)CCO1 328637989 WFNQBTQQSABRFX-IFIJOSMWSA-N 327.384 2.773 30 50 EFEA N#CC1(NC(=O)CN2C[C@H](O)C[C@H]2C2CCCCC2)CCCCCC1 230190719 CJUFJHTYSBFPPS-MSOLQXFVSA-N 347.503 2.735 30 50 EFEA N#Cc1ccc(N2CCN(C(=O)c3cc(C4CC4)no3)CC2)c(F)c1 328707612 LYCVWSDYNXGLHE-UHFFFAOYSA-N 340.358 2.525 30 50 EFEA Cc1ccc(F)cc1CN1CCN(c2nccnc2C#N)C[C@@H]1C 180269086 PXHIIZYGHNJIOK-AWEZNQCLSA-N 325.391 2.507 30 50 EFEA CC(=O)Nc1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 169746348 IASCEYYAMDKIPA-UHFFFAOYSA-N 329.127 2.963 30 50 EFEA N#CC1CCC(CNC(=O)NCC[S@@](=O)Cc2ccccc2)CC1 252493877 NFSXZGVJLPSIJU-KQPQDQJMSA-N 347.484 2.564 30 50 EFEA C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCN1C(=O)OC(C)(C)C 818027111 GEWOKWZZBSODRA-UONOGXRCSA-N 336.432 2.522 30 50 EFEA N#Cc1ccc(-c2n[nH]cc2C(=O)N[C@H]2CC[C@H](CCO)CC2)cc1 1875331664 RUTGAVRBVXHDMW-SAZUREKKSA-N 338.411 2.619 30 50 EFEA Cn1cc(CN2CCCN(Cc3ccc(F)cc3)CC2)cc1C#N 72158276 XMNQEXFKSDTASX-UHFFFAOYSA-N 326.419 2.744 30 50 EFEA C=CCc1cccc(C(C)C)c1NC(=O)N1CC(=O)N(CCOC)C1 283617826 OKWGAISHHOWSHL-UHFFFAOYSA-N 345.443 2.819 30 50 EFEA 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345.399 2.868 30 50 EFEA CCOc1cc2c(cc1CO/N=C(/N)C1CCOCC1)O[C@H](C)C2 116873793 MCSRWJZARQGIBX-GFCCVEGCSA-N 334.416 2.624 30 50 EFEA C=CCN(N(C)c1ncc(C(F)(F)F)cc1Cl)S(C)(=O)=O 1388701 RKQJICLWSKRQHK-UHFFFAOYSA-N 343.758 2.553 30 50 EFEA CCn1cc(CN2CCN(Cc3cccc(F)c3)CC2)cc1C#N 72156047 JQJVBBHTVPTZBH-UHFFFAOYSA-N 326.419 2.837 30 50 EFEA N#Cc1cccc([C@@H]2CN(c3cc(C#N)ccc3[N+](=O)[O-])CCO2)c1 328588115 UGWJXJKBJUSGFS-SFHVURJKSA-N 334.335 2.916 30 50 EFEA OCC[C@@H](/N=C(/O)c1sccc1Br)C1CCOCC1 330906366 SDZHLYBLLQXAGP-LLVKDONJSA-N 348.262 2.993 30 50 EFEA Cc1ccccc1[C@@H](C)CC(=O)N1CCC(n2cnc(C#N)n2)CC1 369304860 HGMSSWOWMHBLBN-HNNXBMFYSA-N 337.427 2.816 30 50 EFEA N#Cc1ccc(Br)c(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 191676182 UPLGOSUVAVWISR-STQMWFEESA-N 345.196 2.772 30 50 EFEA C=C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)O)CC1 645964524 BQLYNLSROORKDJ-UHFFFAOYSA-N 349.330 2.744 30 50 EFEA Oc1ccccc1/C=N/n1c(S)nnc1COc1ccccc1 1305699 DVUZAZCFIWDGMB-LICLKQGHSA-N 326.381 2.734 30 50 EFEA Cc1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1C 5009293 VKHZXKUXQNWRGJ-UHFFFAOYSA-N 332.407 2.907 30 50 EFEA C#CCCC1(CCC(=O)NCCCc2nc3ccccc3n2C)N=N1 2325892214 FFYUMDBYQIFRHG-UHFFFAOYSA-N 337.427 2.978 30 50 EFEA Cc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1[N+](=O)[O-] 4702020 IMTSEYLXPNGVML-UHFFFAOYSA-N 331.353 2.770 30 50 EFEA CCOC(=O)C1CCN(CCCCOc2ccc(C#N)cc2)CC1 6701795 ZMLFFBQTZBWQGI-UHFFFAOYSA-N 330.428 2.992 30 50 EFEA COc1cc(C(=O)NC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 170004270 YKQWFVYRAIHSPH-UHFFFAOYSA-N 333.237 2.523 30 50 EFEA COc1cc(CC2CN(C(O)=Nc3ccccn3)C2)cc(OC)c1 328587264 RKMOKYPDOZFNMM-UHFFFAOYSA-N 327.384 2.819 30 50 EFEA CCOC(=O)c1c(C)oc(NC(=O)c2ccc(Cl)nc2)c1C#N 17068714 VXYQOJLKHBHHHR-UHFFFAOYSA-N 333.731 2.937 30 50 EFEA CC(C)(C)OC(=O)N1CCN(c2nc(C3CC3)ccc2C#N)CC1 29753858 KXHIRDUGFMXLKB-UHFFFAOYSA-N 328.416 2.888 30 50 EFEA CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CC#N)C[C@H]1c1ccccc1F 408520879 YVEZHLLNRPUYNR-DZGCQCFKSA-N 347.390 2.558 30 50 EFEA COc1ccc(-c2csc(C3=C(N)N(CC(C)C)CC3=O)n2)cc1 17888306 BPBRHFONEGEIQT-UHFFFAOYSA-N 343.452 2.987 30 50 EFEA Cc1ccc(C[C@@H]2S/C(=N/N=C/c3ccc(O)cc3)NC2=O)cc1 5339188 OPNDKKAGUZEXQT-ZVCOJXFSSA-N 339.420 2.865 30 50 EFEA Cc1cc([C@H]2CCCCN2S(=O)(=O)c2cccc(C#N)c2)n[nH]1 952995553 PUFQQMGKPYOQOH-MRXNPFEDSA-N 330.413 2.506 30 50 EFEA CC1(C)OB(c2cccc(NC(=O)N3CCSCC3)c2)OC1(C)C 1775954686 GLNHFUXZJKCZDM-UHFFFAOYSA-N 348.277 2.567 30 50 EFEA C#CCCC1(CCC(=O)N2CCC[C@@H]2C(=O)c2ccc(O)cc2)N=N1 2325893501 UQIVXARTWKCSJV-MRXNPFEDSA-N 339.395 2.922 30 50 EFEA C=C(C)COc1c(CN(C)CC2(CO)CCOCC2)cccc1OC 55074168 SHJOATYRPCJPHP-UHFFFAOYSA-N 349.471 2.871 30 50 EFEA CCn1cnnc1[C@H]1CCCN(C(=O)/C=C/c2cccc(C#N)c2)C1 110751743 AJRRPOFGOBIYDW-IJDCCNJMSA-N 335.411 2.589 30 50 EFEA O=C(CSc1ncn[nH]1)N(CC#Cc1ccccc1)C1CCCC1 65453699 VNJFLLCVAKEHFY-UHFFFAOYSA-N 340.452 2.720 30 50 EFEA CC[C@H](Sc1nc(=N)[nH][nH]1)/C(O)=N/[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 328590124 DKSQNWPKOOEXGC-PDWLFKFUSA-N 335.477 2.869 30 50 EFEA Cc1ccc(N=C(O)N2CC[C@H](Oc3cccnc3N(C)C)C2)cn1 328624707 KAPCWTXLNMFUDH-HNNXBMFYSA-N 341.415 2.550 30 50 EFEA Cc1ccccc1O[C@H](C)C(=O)N1CCN([C@H]2CC[C@H](C#N)C2)CC1 331960487 QKGUIHCNAWMAMO-SQNIBIBYSA-N 341.455 2.599 30 50 EFEA C#CCCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 193380580 JPEXSNBYGPLMGS-CVEARBPZSA-N 338.373 2.827 30 50 EFEA C=CCN(CC=C)[C@H]1CCc2c(c(C(=O)N(C)C)nn2CC(C)C)C1 14731343 QPCHNMABRHAFKZ-INIZCTEOSA-N 344.503 2.772 30 50 EFEA Cc1ccc2[nH]cc(C#N)c(=NCc3nnc([C@@H]4CCCOC4)o3)c2c1 886079063 CRSIXKHTGOMMRW-CYBMUJFWSA-N 349.394 2.726 30 50 EFEA CN1CCCC(C)(C)[C@H]1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 225736787 SDVJYUGBFXGZJE-QGZVFWFLSA-N 343.471 2.952 30 50 EFEA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC(C#N)(c2ccccn2)CC1 374347347 CWMTUTQVNOPVRN-CYBMUJFWSA-N 337.427 2.609 30 50 EFEA C=C(C)CN(CC)C(=O)CN1CCC[C@H]1c1nc2c(n1C)CCCC2 275922127 JYYPIUOTUQBVGN-SFHVURJKSA-N 344.503 2.860 30 50 EFEA COc1cccc(/C=N/n2c(S)nnc2-c2cccnc2)c1OC 1245492 NOEBPPZPBRHJEJ-VCHYOVAHSA-N 341.396 2.528 30 50 EFEA CC(C)(C)[C@H](CO)/N=C/c1cccc(/C=N/[C@@H](CO)C(C)(C)C)n1 5496415 GDJLDNNIMXZFGB-SJULNKISSA-N 333.476 2.733 30 50 EFEA Cc1nc(C[C@@H]2CCCN(C(O)=Nc3cn(C)nc3C(C)C)C2)no1 328587715 FRYHUWUFKCBOFB-ZDUSSCGKSA-N 346.435 2.735 30 50 EFEA CCCN1CCc2nc(N)c(C#N)c(-c3ccc(OC)c(O)c3)c2C1 71760693 WFKDZKNMEAKEMF-UHFFFAOYSA-N 338.411 2.685 30 50 EFEA CN1CC[C@@H](C/N=C(/O)c2cccc3c[nH]nc23)[C@@H]1c1cccnc1 328615688 BAEWOJMBEORKBQ-YJBOKZPZSA-N 335.411 2.956 30 50 EFEA CN(CC(=O)N[C@H]1C[C@H]1c1ccccc1Cl)c1ccc(C#N)cn1 241287510 LMAIZCXZYLTPFC-HOCLYGCPSA-N 340.814 2.715 30 50 EFEA C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1CCC(=O)N(C)CCC#N 189510149 GPPOADAXLBHVRA-WMLDXEAASA-N 349.862 2.864 30 50 EFEA C=CCN1CC[C@H](N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1=O 252509738 YUNWVFIQIZNGLP-RBUKOAKNSA-N 349.434 2.743 30 50 EFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)s1 296662 NRHBHYGVLUFVEL-AWEZNQCLSA-N 333.409 2.911 30 50 EFEA CN(C[C@H]1CCOC1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 225440297 SGUBXOCIIWRZQL-OAHLLOKOSA-N 338.411 2.572 30 50 EFEA CSC(=NS(=O)(=O)OCC(Cl)(Cl)Cl)SC 60290926 YLVMQHRVOAWREM-UHFFFAOYSA-N 332.683 2.700 30 50 EFEA CCOC1CC2(CCN(C/C(O)=N/C[C@@H]3Cc4ccccc4O3)C2)C1 329157640 DGXZBXDQXSOLTJ-VXESANQCSA-N 344.455 2.838 30 50 EFEA Cc1cc(C#N)nc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)n1 376388812 ZFZNNWFJSWZJJN-UHFFFAOYSA-N 339.365 2.874 30 50 EFEA N#C[C@H]1CN(c2nc3ccccc3o2)C[C@@]12C(=O)Nc1ccccc12 242339155 ZFJKBCHTZVBIBO-HXPMCKFVSA-N 330.347 2.678 30 50 EFEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccccc1Cl)[C@H]1C=C[C@H]2C12CC2 245226908 RWKOTIBHCJTIHZ-PLCWFFBESA-N 326.783 2.871 30 50 EFEA C=CCN1C[C@H](C(=O)NCC(c2ccccc2)c2ccccc2)CC1=O 820474835 KFBCJCXQCJGLQD-LJQANCHMSA-N 348.446 2.969 30 50 EFEA COc1ccc(OCC(=O)O)c(/C=N/Nc2cc(F)cc(F)c2)c1 170627112 FBHSNYDYHTUHAX-UFWORHAWSA-N 336.294 2.883 30 50 EFEA C#CCCC1(CCC(=O)N2CCC[C@H](OCC(F)(F)F)C2)N=N1 952882477 UNOYQPNFUYOXRV-LBPRGKRZSA-N 331.338 2.912 30 50 EFEA CC1(C)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 173936931 GYQXJFNPISIHEK-UHFFFAOYSA-N 332.347 2.998 30 50 EFEA CC(C)(C)c1n[nH]cc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 367781982 SPNVVQDMWNEFBN-HNNXBMFYSA-N 325.416 2.627 30 50 EFEA CC(C)c1nc([C@H]2CN(Cc3ccncc3C#N)C[C@@H]2C2CC2)n[nH]1 952850924 AEHDANHNBBYIIY-SJORKVTESA-N 336.443 2.820 30 50 EFEA C#CCC(C)(C)N[C@H](C(N)=O)c1ccc(Br)cc1F 2325771909 AXXLKACOACAREN-LBPRGKRZSA-N 327.197 2.506 30 50 EFEA C#CCCC1(CCNC(=O)c2ccc(-c3cscn3)nc2)N=N1 2325891397 DICKAVQSNXXAPU-UHFFFAOYSA-N 325.397 2.901 30 50 EFEA COc1ccc(-c2nc(C#N)c(N3C[C@H](C)O[C@@H](C)C3)o2)cc1OC 1050008 MWKWQUQBXJUSTE-RYUDHWBXSA-N 343.383 2.844 30 50 EFEA C=CCc1cccc2cc(C(=O)NCCN(CC)CC)c(=O)oc12 4247175 CULDMQVPAABBHP-UHFFFAOYSA-N 328.412 2.593 30 50 EFEA C=CCN(Cc1ccccc1OCC)C(=O)C[C@H](C)N1CCOCC1 55405130 FCIMVLHYEZEZAD-KRWDZBQOSA-N 346.471 2.711 30 50 EFEA COc1ccc(/C=N/n2c(SC)nnc2C(F)F)cc1OC 2790207 LOOSBALCSMJZRM-FRKPEAEDSA-N 328.344 2.837 30 50 EFEA N#CCC1(O)CN(C(=O)C23C[C@@H]4C[C@H](C2)CC(C(F)(F)F)(C4)C3)C1 376448073 LXVDLCIUSOSZER-AVJIGQEQSA-N 342.361 2.622 30 50 EFEA CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)O[C@@H]1CCC[C@H]1C#N 242001136 VDEGCWKBKNQQAB-QJPTWQEYSA-N 326.418 2.532 30 50 EFEA C[C@H](CO)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 174497032 FCQPJQSWJPYENR-LLVKDONJSA-N 329.331 2.992 30 50 EFEA N#C[C@@]1(NC(=O)Cc2ccccc2[N+](=O)[O-])CCc2ccccc2C1 183933156 IWCVZMCIOVTSPJ-LJQANCHMSA-N 335.363 2.705 30 50 EFEA C=CCOc1ccc(C(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)cc1OC 408520252 YAFUDCSNCLSFBX-HZPDHXFCSA-N 343.423 2.901 30 50 EFEA C[C@@H](CN1CCCC1)CN(C)C(=O)c1cccc(C#CC(C)(C)O)c1 1506406120 MMQIRAGWYQBGQT-QGZVFWFLSA-N 342.483 2.613 30 50 EFEA O=c1[nH]c(N/N=C/c2c[nH]c3ccccc23)nnc1-c1ccccc1 12341113 KOVLFFQKEJEQGJ-RGVLZGJSSA-N 330.351 2.759 30 50 EFEA C[C@H](/N=C(/O)N1C[C@H]2COC[C@@H](C1)O2)c1ccc(F)cc1Cl 328735285 KOLAVQSNNCBPJQ-ZMLRMANQSA-N 328.771 2.554 30 50 EFEA CN1CCN(c2cccc(Br)c2C#N)C[C@@H]1c1ncc[nH]1 377983051 HNCWTCQZYQECOI-CQSZACIVSA-N 346.232 2.537 30 50 EFEA CC(C)(C)OC(=O)N1CCn2c(nnc2-c2cccc(C#N)c2)C1 952882356 UUAWFVBCHVTPTO-UHFFFAOYSA-N 325.372 2.567 30 50 EFEA C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccn1 6742607 HTYJRMWLPBKDQP-UHFFFAOYSA-N 343.456 2.677 30 50 EFEA C=C(C)C(C)(C)C(=O)NCC1CCN(Cc2cnc(C)nc2)CC1 67757208 NQRVASLHPYKYHT-UHFFFAOYSA-N 330.476 2.716 30 50 EFEA C=CCN1CCN(C(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 13323153 XOMBTWJMXZOBSI-UHFFFAOYSA-N 339.823 2.693 30 50 EFEA CCc1ccc(-c2c(C#N)c(N)nc3c2CN(C(=O)C(C)C)CC3)o1 72162362 OTCCUGNPGUOAGM-UHFFFAOYSA-N 338.411 2.899 30 50 EFEA CCn1cc(CN2CC(=O)N(c3cccc(C)c3)C[C@H]2C)cc1C#N 82091930 FCKKAHKVMIVCMW-MRXNPFEDSA-N 336.439 2.925 30 50 EFEA COc1cccc([C@H]2C[C@@H](O)CN2CCOc2ccc(C#N)cc2)c1 282333589 UWINNGHRTKQAPO-YLJYHZDGSA-N 338.407 2.754 30 50 EFEA C=CCN1C(=O)[C@@](O)(CC(=O)c2ccncc2)c2cc(Cl)ccc21 5269445 VLHBNCPKWWSGOY-GOSISDBHSA-N 342.782 2.728 30 50 EFEA C=CCN(CC=C)C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 15074167 VCWCZCANZVXVRI-KRWDZBQOSA-N 344.430 2.807 30 50 EFEA Cc1nc(NCc2cc(O[C@H]3CCNC3)ccn2)c(Cl)cc1C#N 818628439 KTZSGERZTCWEIO-HNNXBMFYSA-N 343.818 2.663 30 50 EFEA C#CCCC1(CCC(=O)N2CCNC[C@H]2c2ccc(F)cc2)N=N1 2325901220 YLVIZACTRYWBIJ-INIZCTEOSA-N 328.391 2.654 30 50 EFEA CC(C)(C)n1cc(C#N)c(NS(=O)(=O)c2sccc2F)n1 450974897 NPHJBZXFMCZIOV-UHFFFAOYSA-N 328.394 2.511 30 50 EFEA C#C[C@H](NC(=O)Nc1ccc(F)cc1OCC1CC1)[C@H]1CCOC1 252507877 WVQVCSZJJZBPGG-ZFWWWQNUSA-N 332.375 2.774 30 50 EFEA O=C(O)c1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)o1 238032732 FVMIFLFEACBRIJ-UHFFFAOYSA-N 337.253 2.778 30 50 EFEA Cc1ccc(-n2cccn2)c(-c2c(C#N)c(N)nc3c2C[C@@H](N)CC3)c1 71751761 QENGSODPIRWKBL-ZDUSSCGKSA-N 344.422 2.513 30 50 EFEA Cc1ccc2[nH]c3c(=O)n(N=Cc4ccccc4F)c(O)nc3c2c1 253532977 PZODKDBUBZPUSN-UHFFFAOYSA-N 336.326 2.913 30 50 EFEA CC(C)(C)OC(=O)N1C[C@@H](B2OC(C)(C)C(C)(C)O2)C[C@H]1C(=O)O 575629502 DZJGGDUDPBDRSU-QWRGUYRKSA-N 341.213 2.543 30 50 EFEA C=C(COc1ccc(I)c(Cl)c1)C(=O)O 2325860469 JBWMFUGQEFWNDG-UHFFFAOYSA-N 338.528 2.964 30 50 EFEA CCc1nc(SCC(=O)Nc2cc(C)ccc2C)[nH]c(=O)c1C#N 5238936 IGNJOGHKRLJPTM-UHFFFAOYSA-N 342.424 2.552 30 50 EFEA C#CCOc1cc(N2C(=O)CSCC2=O)c(Cl)cc1Cl 5282260 PKBCEVIMOHYIGC-UHFFFAOYSA-N 330.192 2.612 30 50 EFEA C=CCn1nns/c1=N/CC(=O)c1ccc(Cl)c(Cl)c1 4531431 BJPFIFASDCPXBN-NTCAYCPXSA-N 329.212 2.616 30 50 EFEA C#CCCC1(CCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)N=N1 2325891059 OCSJQQZDBWYSTL-QGZVFWFLSA-N 335.411 2.609 30 50 EFEA C#CCCC1(CCNC(=O)CC[C@@H]2[C@H](C)Nc3ccnn3[C@H]2C)N=N1 2325891588 PJULODNEJKYPJS-SOUVJXGZSA-N 342.447 2.736 30 50 EFEA N#Cc1ccc([C@H](Nc2cnn(-c3ccccc3F)c2)C(N)=O)cc1 126197760 ZUOQMWOPCJNTFV-KRWDZBQOSA-N 335.342 2.522 30 50 EFEA C=CCN1C(=O)/C(=C\Nc2c(CC)cccc2CC)C(=O)NC1=S 2990342 JEVKAKKMLFWBFK-KAMYIIQDSA-N 343.452 2.537 30 50 EFEA CCCCCCCCn1c(NCCC)nc2c1c(=O)[nH]c(=O)n2C 53306920 INAQBDZKCDZYHA-UHFFFAOYSA-N 335.452 2.606 30 50 EFEA C=CCN1CCN(Cc2cc3ccc(SC)cc3[nH]c2=O)CC1 67691724 HHLNVQZXLLPWDF-UHFFFAOYSA-N 329.469 2.554 30 50 EFEA Cc1nn(C)cc1-c1cc([C@@H]2CCOC(C)(C)C2)c(C#N)c(N)n1 71762689 ZJURYDGBQKSHBU-GFCCVEGCSA-N 325.416 2.917 30 50 EFEA C[C@@H](/N=C(/O)N1CCC(c2cnc[nH]2)CC1)c1nc(C(C)(C)C)no1 328588650 UCFSZERLZRBNHH-LLVKDONJSA-N 346.435 2.945 30 50 EFEA N#Cc1cc(/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c[nH]1 328616829 CCMKPQQSOTYRSZ-VIFPVBQESA-N 337.305 2.669 30 50 EFEA Cc1ncsc1CN(C)C[C@H]1CCN(/C(O)=N/CC(C)(C)C#N)C1 328628840 HQFRTWHQSWKZGD-CQSZACIVSA-N 349.504 2.669 30 50 EFEA C=CCN1CC[C@@H](N(C)C(=O)N[C@H](C)c2ccc(C)c(F)c2)C1=O 252485443 GVRBLCGESQYBQN-CZUORRHYSA-N 333.407 2.623 30 50 EFEA C[C@H]1CCCCN1S(=O)(=O)c1oc(-c2ccccc2)nc1C#N 1857799723 WAUIFJDLBHEIJY-LBPRGKRZSA-N 331.397 2.776 30 50 EFEA N#Cc1c(CN2CC[C@](CO)(c3ccccc3)C2)cn2ccccc12 365850646 ZYHJUBGJKMJSLG-NRFANRHFSA-N 331.419 2.947 30 50 EFEA Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)[C@H]1CCCCCN1C 97323918 ZUVPQVCGYGYCCG-LJQANCHMSA-N 338.455 2.881 30 50 EFEA C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1/C=C/C1=CCOC1=O 144829268 XMJAJFVLHDIEHF-WJIPUPRPSA-N 332.440 2.768 30 50 EFEA biogenic N/C(=N\OC(=O)COc1ccc(Cl)cc1Cl)c1ccncc1 13598892 BASBQIGGWCBWLL-UHFFFAOYSA-N 340.166 2.631 30 50 EFEA N#Cc1ccc(-c2cccc(-c3ccn(C[C@H]4COCCO4)n3)c2)nc1 19740174 QDXYJHHUVUDONL-SFHVURJKSA-N 346.390 2.899 30 50 EFEA CCOC(=O)c1nc(CCNc2nnc(C)c(C)c2C#N)sc1C 1875273823 QMXMTTFJBWOSKL-UHFFFAOYSA-N 345.428 2.561 30 50 EFEA C#CCCC1(CCC(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)N=N1 1875288810 FAOPLMASGQYEIR-WBVHZDCISA-N 328.416 2.796 30 50 EFEA N#Cc1ccc(C(=O)Nc2ccccc2N2CCOCC2)c(F)c1 4865957 YGGRTBMWBOGALB-UHFFFAOYSA-N 325.343 2.786 30 50 EFEA C#CCOc1ccc([C@@H]2SCC(=O)Nc3[nH]nc(C)c32)cc1OC 21525187 RSAPIUJSUAFSQE-INIZCTEOSA-N 343.408 2.513 30 50 EFEA N#C[C@H](C(=O)c1cnc(OCC2CC2)cn1)c1cnc2ccccc2n1 328590630 AOLWLQIORNCPFA-ZDUSSCGKSA-N 345.362 2.699 30 50 EFEA CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)O[C@H]1CCC[C@H]1C#N 242001137 VDEGCWKBKNQQAB-TUAOUCFPSA-N 326.418 2.532 30 50 EFEA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]12C 257356764 KDHBHXVDYRGRDL-SAUNNNAKSA-N 346.467 2.665 30 50 EFEA N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H](c2ccnc(N)n2)C1 170616217 SDKSTTFINZBJKP-LLVKDONJSA-N 348.332 2.728 30 50 EFEA Cc1nc(NCc2n[nH]c3c2CCCCC3)c(C#N)cc1C(=O)O 1506399802 QGFJLSYUPXHNFA-UHFFFAOYSA-N 325.372 2.564 30 50 EFEA C[C@]12CCCC[C@@H]1N(Cc1cc(O)n3ncc(C#N)c3n1)CCC2 2325772014 LYBIJADCRHHEHC-MAUKXSAKSA-N 325.416 2.851 30 50 EFEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)CCOc2ccccc2)C1 328647314 TYNYSKIOUHXEKC-UHFFFAOYSA-N 346.427 2.740 30 50 EFEA C[C@@H]1CN([C@H](CNc2cccc(C#N)n2)c2cccs2)CCO1 246706844 FLDZNSGEBVDMSW-UKRRQHHQSA-N 328.441 2.889 30 50 EFEA N#Cc1cc([N+](=O)[O-])c(NC[C@@H]2CCCO2)cc1NC[C@@H]1CCCO1 285732633 SWWGJSYHHGUGRM-KBPBESRZSA-N 346.387 2.648 30 50 EFEA COCc1n[nH]c([C@@H]2CCCCN2Cc2ccc(F)c(C#N)c2)n1 289021938 GHXFDXQZUICLGK-HNNXBMFYSA-N 329.379 2.689 30 50 EFEA C#CCCC1(CCC(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)N=N1 1875288808 FAOPLMASGQYEIR-NVXWUHKLSA-N 328.416 2.796 30 50 EFEA CN(C)Cc1cc(O[C@H]2CCN(Cc3cc(C#N)cs3)C2)ccn1 886071831 AYACSSIGSJIUQZ-KRWDZBQOSA-N 342.468 2.730 30 50 EFEA CCNC(=S)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 2521954 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SCDPYZAEMXARTJ-GOSISDBHSA-N 342.487 2.840 30 50 EFEA CCN(CCc1nccs1)[C@@H]1CCN(c2sccc2C#N)C1=O 121042492 CTMNNMFSTTWORA-CYBMUJFWSA-N 346.481 2.746 30 50 EFEA O/C(=N/CC(F)(F)c1ccccc1)N1CCO[C@]2(CCCOC2)C1 329248494 WQWWZCGFUDNTLN-MRXNPFEDSA-N 340.370 2.574 30 50 EFEA Cc1ccc(S[C@@H](C)C(=O)N2CCCn3nc(C#N)cc3C2)cc1 952861045 BRWFAAXIXGAZHM-AWEZNQCLSA-N 340.452 2.976 30 50 EFEA Cc1c(Br)cc(C#N)c(=O)n1Cc1ccn(C(C)C)n1 185928763 LEITXZXJPZGFPQ-UHFFFAOYSA-N 335.205 2.617 30 50 EFEA N#Cc1ccc(C(=O)N(CCO)CC23CC4CC(CC(C4)C2)C3)cn1 1506431365 AHANJPJAFHMKGM-UHFFFAOYSA-N 339.439 2.604 30 50 EFEA O=C(CC1=C(c2ccccc2)CCC1=O)NCc1[nH]nc2ncccc12 1772818246 BAKVMWGEOJGTQN-UHFFFAOYSA-N 346.390 2.781 30 50 EFEA CC#CC(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2Cl)C1 12591790 KCQDKCSRJDEZNN-HNNXBMFYSA-N 346.858 2.998 30 50 EFEA Cc1cc(Br)cc2c1N(C)C(=O)/C2=N\Nc1ccccn1 4458472 QDOHBQJBCMYWGF-UYRXBGFRSA-N 345.200 2.945 30 50 EFEA Cc1cccc(NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 124130324 BHYOPLGWHSMFKP-QGZVFWFLSA-N 335.411 2.632 30 50 EFEA Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)cc1C#N 373001091 INFNWPXELIANTJ-ICSRJNTNSA-N 347.418 2.816 30 50 EFEA O=c1n(C[C@H]2CO2)c(-c2ccccc2)c(-c2ccccc2)n1C[C@@H]1CO1 3122839 VITLEIWKDUORIO-HDICACEKSA-N 348.402 2.781 30 50 EFEA C=CCn1c(=O)c(C(=O)Nc2ccc(C)cn2)c(O)c2ccccc21 100331654 PQHOFFHHEWXYJY-UHFFFAOYSA-N 335.363 2.849 30 50 EFEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)/C(O)=N/Cc1cscn1 328625208 KLNXIELPIGZSNV-HOCLYGCPSA-N 345.472 2.577 30 50 EFEA OC1=N[C@H](C2CC2)[C@H](/N=C(/O)c2ccc(=NCC3CC3)[nH]c2)CC1 329111527 KDEYSANCEBSILR-RHSMWYFYSA-N 328.416 2.528 30 50 EFEA C=CC[C@]1(C(=O)O)CCCN(C(=O)NCc2ccc(OC)cc2)C1 91255551 QVILIHUWSYVHTH-SFHVURJKSA-N 332.400 2.648 30 50 EFEA CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1C[C@@H](O)c1ccccc1 195531574 ONXQAFOXRPXIEX-GGPKGHCWSA-N 343.471 2.629 30 50 EFEA COc1ccc(C/C(N)=N/OC(=O)Cc2ccc(Cl)cc2)cc1 4191668 YKPXXMBDPSKQNT-UHFFFAOYSA-N 332.787 2.949 30 50 EFEA C=CCN1C(=O)NC(=O)/C(=C/c2ccc(Cl)cc2Cl)C1=O 12343692 JYZXFLGLIPZNNM-POHAHGRESA-N 325.151 2.641 30 50 EFEA CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(c1ccc(C#N)nc1)C2 127199790 QJCDFWWHNUCVFX-HOTGVXAUSA-N 328.416 2.931 30 50 EFEA Cc1nn(CCO)cc1-c1c(C)c([C@H]2CC2(C)C)nc(N)c1C#N 71661907 RYYQIKGLQKODRD-CQSZACIVSA-N 325.416 2.522 30 50 EFEA CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cc(C#N)cs2)C1 190488339 OEEYEIMPSOQPIO-INIZCTEOSA-N 326.469 2.969 30 50 EFEA C=C(C)Cn1nc([C@H](C)O)nc1-c1cccc(N2CCCC2=O)c1 1857667270 ZHSFRFHCIRCBOS-ZDUSSCGKSA-N 326.400 2.701 30 50 EFEA Cc1ccnc(N/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 328640908 XOSWAJAVRXJQDO-RDJZCZTQSA-N 325.416 2.804 30 50 EFEA Cc1sc(NC(=O)Cn2c(=O)oc3ccccc32)c(C#N)c1C 2869059 GBTCUEUKNAUORG-UHFFFAOYSA-N 327.365 2.783 30 50 EFEA CC1(C)OB(c2ccc(-c3nc(C(=O)O)cs3)cc2)OC1(C)C 170006089 CFATZSQTZLYJHG-UHFFFAOYSA-N 331.202 2.808 30 50 EFEA Cn1cc(C#N)cc1C(=O)NC[C@H](c1ccccc1F)N1CCCC1 216174417 CFRUBANXFQELLC-GOSISDBHSA-N 340.402 2.603 30 50 EFEA CC[C@H](C)Sc1ncc(-c2c(C#N)c(N)nc3c2COCC3)cn1 71760183 KAACITAIZLIKNX-JTQLQIEISA-N 341.440 2.956 30 50 EFEA Cc1oc(C#N)cc1C(=O)N1CCC[C@H](Cc2nnc3ccccn23)C1 375628183 MYLUXWYHHRHOMZ-CQSZACIVSA-N 349.394 2.597 30 50 EFEA N#Cc1cccnc1NC[C@@H]1CCN(C[C@H](O)c2cccc(F)c2)C1 225218835 QGKUBMGETATFFI-KSSFIOAISA-N 340.402 2.560 30 50 EFEA CCc1ccnc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 181823227 VMNYEKLNBTVKGB-UHFFFAOYSA-N 338.386 2.617 30 50 EFEA COc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1OC 5611766 DKDWGNLSJSKKHH-HMMYKYKNSA-N 325.412 2.860 30 50 EFEA N#Cc1ccc2nc(N[C@@H]3C[C@H](Cn4cccn4)C[C@H]3O)ccc2c1 1875399266 UMYQCHHYPQOYJC-BMGDILEWSA-N 333.395 2.555 30 50 EFEA CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1 381144 DOZZDPBOVVTKQI-ZFWWWQNUSA-N 335.787 2.803 30 50 EFEA N#Cc1c(N)n(-c2ccc3c(c2)OCCO3)c2nc3ccccc3nc12 390240 ZWTVEDZFEYFLMJ-UHFFFAOYSA-N 343.346 2.799 30 50 EFEA COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)c1OC 4488861 ZOGBVAJWJPJSOE-LBPRGKRZSA-N 329.396 2.951 30 50 EFEA CC(C)CN(CC#Cc1ccccc1)C(=O)c1nnc2n1CCCC2 55282805 BTERKDVWMVTEBH-UHFFFAOYSA-N 336.439 2.764 30 50 EFEA CCOC(=O)C(F)(F)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C 170005033 ITQUJLUYFDOVOV-UHFFFAOYSA-N 340.175 2.949 30 50 EFEA C[C@@H]1CCO[C@@H]1/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328625265 KOKVALWLYPHZBP-NRUUGDAUSA-N 331.338 2.846 30 50 EFEA CCN(CC(=O)O)C1CC(/N=C(/O)C2(c3ccc(F)cc3)CC2)C1 328631379 KMGQTIQVMQSWEG-UHFFFAOYSA-N 334.391 2.751 30 50 EFEA CO/N=C/C(=N\Nc1ccc(OC)cc1)C(=O)c1ccc(OC)cc1 13118416 WQJPVCRGQGPPGE-YKTCLATHSA-N 341.367 2.987 30 50 EFEA CCC#CCN1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 77319009 HASROFFKDGTWOV-OAQYLSRUSA-N 339.483 2.742 30 50 EFEA N#CC1(NS(=O)(=O)c2ccc(Oc3cccc(F)c3)cc2)CC1 225435399 NTBVCKQPENGNFJ-UHFFFAOYSA-N 332.356 2.952 30 50 EFEA C=CCn1c(SCc2ncsc2C)nnc1C1CCNCC1 426412271 LCINMLWKPWQENX-UHFFFAOYSA-N 335.502 2.988 30 50 EFEA C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(O)c1 194970184 NTFOIENJTKGJIR-LIRRHRJNSA-N 335.407 2.716 30 50 EFEA CC[C@H]1C[C@H](CC(=O)Nc2ncc3c(c2C#N)COCC3)CCO1 863947311 SLBHVJCKFLVUOA-OCCSQVGLSA-N 329.400 2.560 30 50 EFEA N#Cc1cccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1 586842 CTHLLKNFXSZZMW-UHFFFAOYSA-N 326.337 2.593 30 50 EFEA O=C1C[C@H](c2ccc3c(c2)OCO3)C2=C(O1)C(=O)c1ccccc1C2=O 4751350 OTZZEEAWRURWGW-CYBMUJFWSA-N 348.310 2.779 30 50 EFEA CCCN1CCC(N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)CC1 1565510846 SAGLIORNDLXIID-PMACEKPBSA-N 343.471 2.559 30 50 EFEA C#Cc1ccc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)cc1 19794691 ICXAYDIYQVCFSQ-HSZRJFAPSA-N 348.490 2.779 30 50 EFEA N#Cc1cnc(N2CCO[C@@H](c3cccc(Br)c3)C2)cn1 123098870 RXFBYUJQWRVAIK-CQSZACIVSA-N 345.200 2.689 30 50 EFEA N#Cc1cnc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cn1 127433015 SRSFDKYZCZCFFN-MJGOQNOKSA-N 333.439 2.839 30 50 EFEA COc1ccc([C@H]2C[C@H]2c2nc(C#N)c(N3CCOCC3)o2)cc1 1857798880 DXSKRAPAILUUKL-HUUCEWRRSA-N 325.368 2.663 30 50 EFEA C=CCOc1ccc(C(=O)N(C)Cc2nc(C)c[nH]2)cc1OCC 55211801 UDLDQRZSMCPICM-UHFFFAOYSA-N 329.400 2.954 30 50 EFEA C[C@@H](O/N=C(/N)c1ccc2c(c1)CCO2)c1nc(C(C)(C)C)no1 158213719 BRFYKCXJDBQHDP-SNVBAGLBSA-N 330.388 2.700 30 50 EFEA Cn1ccnc1[C@H](O)[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 269390067 VCLCEYDCGSPSDH-XJKSGUPXSA-N 330.819 2.895 30 50 EFEA CC(C)(C)NS(=O)(=O)c1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 185800983 GHLHWWIBPYYQOJ-GOEBONIOSA-N 349.500 2.935 30 50 EFEA N#CC1CN(C(=O)[C@@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)C1 1857734707 NREWGXPFRMYSSN-GFCCVEGCSA-N 344.802 2.680 30 50 EFEA N#Cc1cnc(N2CCN(c3cc(Cl)ccn3)CC2)c(Cl)c1 952994152 VRDCFNQJRAICNV-UHFFFAOYSA-N 334.210 2.982 30 50 EFEA N#Cc1ccccc1NC(=O)Cn1cnc2cc(Cl)ccc2c1=O 390758 IHLAPTNVUTUVPN-UHFFFAOYSA-N 338.754 2.560 30 50 EFEA C=CCNc1nc([C@]2(C)C[C@@]3(CC(C)(C)OC3=O)C(=O)O2)cs1 2198930 WEJPJKNIRSDDBM-JKSUJKDBSA-N 336.413 2.615 30 50 EFEA C#CCOc1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc1 4320621 GBVZKBPHYTVZAW-UHFFFAOYSA-N 328.364 2.944 30 50 EFEA C[C@@H]1OCC[C@@H]1/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328637444 VYSYTUYBEQCWGM-DCAQKATOSA-N 331.338 2.846 30 50 EFEA C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)N1CCSCC1 151808856 PSPCTRMRNMOZRL-HNNXBMFYSA-N 329.469 2.510 30 50 EFEA CCCCCCCCCn1c(NCCC)nc2c1c(=O)[nH]c(=O)n2C 96019826 QVZIJSZGKUYOED-UHFFFAOYSA-N 349.479 2.996 30 50 EFEA CNC(=O)c1ccn([C@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)n1 276095410 UUDMIEHUZFIGKH-YOEHRIQHSA-N 337.427 2.512 30 50 EFEA COc1cccc(/C=N/Nc2nnc3c(n2)[nH]c2c(C)cccc23)c1O 5031332 FSGNKNMYQPAQMC-DJKKODMXSA-N 348.366 2.975 30 50 EFEA C=CCCC(=O)N1C[C@@H]2[C@H](CNC(=O)C(C)(C)CC)[C@H]3CC[C@]2(C1)O3 1857739186 LRZQMSSWMSMTSP-QCBUCWTNSA-N 348.487 2.511 30 50 EFEA C#CCCC1(CCC(=O)N2CCC(OC)(C(F)(F)F)CC2)N=N1 952879266 CPUJTHDMKLNZAD-UHFFFAOYSA-N 331.338 2.912 30 50 EFEA C#CCCC1(CCNC(=O)[C@@H](C)Cc2ccc3c(c2)OCO3)N=N1 1182411411 YGAYARRYLWKOPL-ZDUSSCGKSA-N 327.384 2.676 30 50 EFEA Cc1ccc(N2CC[C@H](CN(C)Cc3scnc3C)C2)nc1C#N 225603673 JIQYBEAUAPHERP-OAHLLOKOSA-N 341.484 2.985 30 50 EFEA Cc1cc(N=C(O)[C@@H]2CCCN2C(=O)c2cccs2)c(=O)n(C)c1 330137803 VDJVQSMSUQGCPB-ZDUSSCGKSA-N 345.424 2.648 30 50 EFEA CN1C(=O)[C@]2(CCCN(C(=O)c3cccc(C#N)c3)C2)c2ccccc21 72166801 QVOROGHRIROSHL-NRFANRHFSA-N 345.402 2.709 30 50 EFEA N#Cc1c[nH]c(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c1 175164141 ONESAPSZDMPCEX-UHFFFAOYSA-N 342.830 2.888 30 50 EFEA C#C[C@H](CCC)NC(=O)c1ccccc1I 170611753 CLCMXCIXJOGMNY-SNVBAGLBSA-N 327.165 2.823 30 50 EFEA CC(C)N1C[C@H](C(=O)Nc2sc3c(c2C#N)CCCC3)CC1=O 5633205 ZFTYIOKUXRFTGD-LLVKDONJSA-N 331.441 2.694 30 50 EFEA C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]1c1ccccc1Cl 253398624 GLOCWMARVNKAMD-WFASDCNBSA-N 341.864 2.813 30 50 EFEA C=CCOc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 3002845 GYNZRIGOVNQRGJ-INIZCTEOSA-N 325.364 2.821 30 50 EFEA O=C(O)CCCC(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)F 3045095 ILPDKXODDYOILJ-UHFFFAOYSA-N 345.186 2.529 30 50 EFEA CC[C@H](Sc1nc(=N)[nH][nH]1)/C(O)=N/[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 328590123 DKSQNWPKOOEXGC-HKLHZYFVSA-N 335.477 2.869 30 50 EFEA N#Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 171464102 OCLRFOZHKCPCOS-QUCCMNQESA-N 336.391 2.974 30 50 EFEA COc1cc(CN2CCN(c3ccccc3C#N)C(=O)C2)ccc1F 82116665 YFWAHWSTRGPDJR-UHFFFAOYSA-N 339.370 2.555 30 50 EFEA N#Cc1ccc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)nc1 91494607 LRNXWDLDKPIJAR-QGZVFWFLSA-N 344.422 2.977 30 50 EFEA CNc1cc(C(=O)NCCc2c(C)[nH]c3ccc(C#N)cc23)ccn1 97716889 QPUGGGMGUFWULF-UHFFFAOYSA-N 333.395 2.757 30 50 EFEA C=CCNC(=O)CCN1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 252500120 SNIBFIUMDKLCKK-HNNXBMFYSA-N 326.444 2.510 30 50 EFEA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C 257356762 KDHBHXVDYRGRDL-OHHIDYDXSA-N 346.467 2.665 30 50 EFEA Cc1nc(O)cc([C@@H]2CCCN(C(=O)Nc3ccc(C#N)cc3)C2)n1 299797984 DJJVPNLMIPXEBX-CQSZACIVSA-N 337.383 2.774 30 50 EFEA C=C(C)CN(CC)C(=O)[C@@H]1CCCN(C2CCN(C(C)C)CC2)C1 11764020 QGLHAQRXJYJUFI-GOSISDBHSA-N 335.536 2.996 30 50 EFEA CC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Br)ccc1O 291409 HTBXTNVZKLGPNS-GFCCVEGCSA-N 341.230 2.537 30 50 EFEA C[C@@H](c1cccc(C#N)c1)N1CCN(C[C@@H](O)CC(F)(F)F)CC1 225548569 QSIKRSFEJPYECE-BBRMVZONSA-N 341.377 2.550 30 50 EFEA Cc1ccc(C#N)cc1S(=O)(=O)N1CCCC[C@@H]1c1ncccn1 952881574 ATJYZSILMNSOSB-OAHLLOKOSA-N 342.424 2.573 30 50 EFEA N#C[C@@H]1CN(c2ncc(Cl)c(Nc3ccc(F)cc3)n2)CCO1 952994852 VNDPQISCVPZTAS-GFCCVEGCSA-N 333.754 2.741 30 50 EFEA N#Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 449831 BGSWSLXRZGSGQQ-UHFFFAOYSA-N 337.744 2.921 30 50 EFEA COc1cc(NC(C)=O)c(B2OC(C)(C)C(C)(C)O2)cc1Cl 309609722 LLXSFKAZENMLJD-UHFFFAOYSA-N 325.601 2.606 30 50 EFEA CCOC(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 289163 DGWZEIICLWPFOO-INIZCTEOSA-N 336.347 2.824 30 50 EFEA COc1cc(CC2CN(C(O)=Nc3cccnc3)C2)cc(OC)c1 328589000 ZTHFUCFPTXYNLO-UHFFFAOYSA-N 327.384 2.819 30 50 EFEA CCCNc1ncc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)cn1 71755141 CFBDEZUESFSQNJ-UHFFFAOYSA-N 348.414 2.821 30 50 EFEA Cc1noc([C@H](/N=C(/O)c2sc(C)nc2C)C2CCOCC2)n1 328610164 GSKGPHNQHGCCSZ-GFCCVEGCSA-N 336.417 2.924 30 50 EFEA N#Cc1cc(C(=O)N2CCC[C@H](Cn3cnc4ccccc43)C2)c[nH]1 372246974 IYGVVZDWTRUCMG-AWEZNQCLSA-N 333.395 2.788 30 50 EFEA Cc1noc([C@H]2CCCCN2C(=O)Nc2snc(C)c2C#N)n1 333915502 ZDBMRVFDLLXOLQ-LLVKDONJSA-N 332.389 2.774 30 50 EFEA O=C1COc2ccc(/C=C3\COc4c(F)cccc4C3=O)cc2N1 195301538 UZRUOABWWGLDQO-IZZDOVSWSA-N 325.295 2.815 30 50 EFEA CC1(C)OB(c2ccc(NC(=O)N3CCSCC3)cc2)OC1(C)C 1772715669 KZZKYDSDBGUMHC-UHFFFAOYSA-N 348.277 2.567 30 50 EFEA CC(C)(C)CN(c1ccccn1)S(=O)(=O)c1ccc(C#N)nc1 863947851 JLFKPEQKBMGUHD-UHFFFAOYSA-N 330.413 2.590 30 50 EFEA CCn1ncc(NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 950757429 BZBLNFQXEGYLMY-UHFFFAOYSA-N 337.229 2.549 30 50 EFEA C#CCCC1(CCNC(=O)c2cccc(Oc3cnccn3)c2)N=N1 2325890947 GCSAYMQJNSLPCC-UHFFFAOYSA-N 335.367 2.964 30 50 EFEA CSc1nc(N)nc(SCC(=O)Nc2cccc(F)c2)c1C#N 1837000 BRLGVXWTAMMWJC-UHFFFAOYSA-N 349.416 2.522 30 50 EFEA CC(C)c1nnc(/N=C(\O)c2c(O)[nH]c3ccccc3c2=O)s1 9058709 CFVNABFKIXPPRU-UHFFFAOYSA-N 330.369 2.845 30 50 EFEA C=CCN1CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 20160897 ZWSFRKLWZXFXLD-UHFFFAOYSA-N 329.227 2.702 30 50 EFEA N#Cc1ccc(OCc2cccc(C(=O)N3C[C@H](O)C4(CC4)C3)c2)cc1 368786340 JQDDMCRGPNDBDH-IBGZPJMESA-N 348.402 2.734 30 50 EFEA CO[C@@]12CC[C@H](OCC3CC3)C[C@@H]1N(c1ccc(C#N)cn1)CC2 426526055 JYZRGYBEVZEWHM-JENIJYKNSA-N 327.428 2.896 30 50 EFEA C=CCN1CC2(CCC1=O)CCN(c1cccc([C@H](C)O)n1)CC2 91746338 TWKRMOBFXIWYDN-HNNXBMFYSA-N 329.444 2.530 30 50 EFEA CC1(C)C[C@]1(C#N)NS(=O)(=O)c1ccc(F)c(Br)c1 290966474 PFFORYOZSFYQPV-GFCCVEGCSA-N 347.209 2.559 30 50 EFEA CN1C(=O)[C@@H](c2ccccc2)CC12CCN(c1cc(C#N)ccn1)CC2 95357659 DMAZWUJRBRBBLH-GOSISDBHSA-N 346.434 2.938 30 50 EFEA CN(Cc1cccnc1)C[C@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 190588890 QGIIQLVFLHCTLA-GOSISDBHSA-N 340.471 2.836 30 50 EFEA Cc1ccn2c(NC(=O)CC3=C(c4ccccc4)CCC3=O)nnc2n1 1529197704 UTJYBNLJEKMDDA-UHFFFAOYSA-N 347.378 2.578 30 50 EFEA C#CCCC1(CCNC(=O)[C@H](N)[C@@H](c2ccccc2)C(C)C)N=N1 2325900830 KSRDPAFREYSARH-IAGOWNOFSA-N 326.444 2.835 30 50 EFEA COc1cc(C/N=C(/O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)ccc1O 328612569 PFEPAAPZSISHPI-GUYCJALGSA-N 345.399 2.677 30 50 EFEA O=C1CCC(=O)N1Oc1c(F)c(F)c(C(F)(F)F)c(F)c1F 3150443 LLMJEXGXIQTJFZ-UHFFFAOYSA-N 331.143 2.705 30 50 EFEA biogenic CC(C)(O)C#Cc1ccc(C(=O)N2CCC(c3ncc[nH]3)CC2)cc1 72440742 KFHCDIFUASQFDV-UHFFFAOYSA-N 337.423 2.552 30 50 EFEA Cc1ccc(N2CCC[C@H](N(C)C(=O)c3ccc(C)c(C#N)c3)C2)nn1 369107610 USFCRDGYYQNASY-SFHVURJKSA-N 349.438 2.706 30 50 EFEA N#C[C@@H]1CN(c2nc3ccccc3o2)C[C@@]12C(=O)Nc1ccccc12 242339154 ZFJKBCHTZVBIBO-CWTRNNRKSA-N 330.347 2.678 30 50 EFEA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1ccc(Cl)cc1 252428634 RJMHKOAACSZNAE-RUSKEJFESA-N 326.783 2.727 30 50 EFEA O=C1Oc2ccccc2C(=O)/C1=C\NCCc1c[nH]c2ccccc12 828327485 WANNICQIJYRRKW-FOWTUZBSSA-N 332.359 2.986 30 50 EFEA biogenic CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)CC#N)CC1 408520571 MBSQEDQRJRFRMZ-HNNXBMFYSA-N 335.448 2.784 30 50 EFEA C[C@H]1C(c2cccs2)=[N+]([O-])[C@@](C)(C(=O)c2ccc(F)cc2)N1O 4314803 RDXSBVCCCKIEFV-QFYYESIMSA-N 334.372 2.879 30 50 EFEA COc1cccc(/C=N/n2c(S)nnc2-c2ccccn2)c1OC 5911456 CNCDBWCIQHDLAR-VCHYOVAHSA-N 341.396 2.528 30 50 EFEA N#CCCN(Cc1cccnc1)C(=O)C(=O)Nc1cccc(Cl)c1 163741899 QKDSWNKLVXMHEV-UHFFFAOYSA-N 342.786 2.616 30 50 EFEA CC1(C)OB(c2ccc([S@@](=N)(=O)C(F)(F)F)cc2)OC1(C)C 1875390130 RNLKGIBLTCLPTR-JOCHJYFZSA-N 335.156 2.911 30 50 EFEA CC(=O)[C@@]1(C)N(O)C(C)(C)C(c2ccc(Br)cc2)=[N+]1[O-] 2955112 DILPOLPFPWHAPD-CQSZACIVSA-N 341.205 2.537 30 50 EFEA C[C@]12CCC(=O)N1[C@H](C(O)=Nc1nc3ccc(F)cc3[nH]1)CS2 328596386 MCEQWROFDOQTRN-NHYWBVRUSA-N 334.376 2.744 30 50 EFEA Cn1cc([C@H]2OCCC[C@@H]2/N=C(/O)c2cccc3c[nH]nc23)cn1 328626970 MHRBPFHFWIRTHG-GOEBONIOSA-N 325.372 2.521 30 50 EFEA CCCn1cc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)c(C)n1 71755153 RTRIWOPDLRVVAL-UHFFFAOYSA-N 335.415 2.826 30 50 EFEA C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(CC)CC(=O)O 170591140 DGRZDUQDEYSSIQ-UHFFFAOYSA-N 331.290 2.817 30 50 EFEA CC(C)(O)C#Cc1ccc(CNCCCc2csc(N)n2)cc1 1506419686 IPGPMVUDLFLNOI-UHFFFAOYSA-N 329.469 2.570 30 50 EFEA Cc1c(CNCC23CCC(CO)(CC2)CO3)c2ccccn2c1C#N 2325777641 PZFCYVWKUIXHTE-UHFFFAOYSA-N 339.439 2.531 30 50 EFEA C=C(C)Cn1c(SCC(=O)O)nnc1-c1ccc(OC)c(OC)c1 4851429 GMMOOAAQKGQMIM-UHFFFAOYSA-N 349.412 2.715 30 50 EFEA Cc1nc(S(=O)(=O)NCc2ccccc2)c(C#N)c(C)c1Cl 210937 FJQHNDWADHYSSI-UHFFFAOYSA-N 335.816 2.702 30 50 EFEA N#Cc1ccc([C@@H](O)CN2CCC(c3ccccc3CO)CC2)cc1 375566234 OVHDCZZLCPYPDR-NRFANRHFSA-N 336.435 2.964 30 50 EFEA Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 252428503 IKZCSAPFNLJAJB-YGMUFBGOSA-N 345.402 2.863 30 50 EFEA O=C1c2ccccc2C(=O)N1N=Cc1cc([N+](=O)[O-])ccc1Cl 252438230 HKKAJYQKDOSXKD-UHFFFAOYSA-N 329.699 2.878 30 50 EFEA CCn1cc([C@H]2CN(Cc3cn4ccccc4c3C#N)CCO2)cn1 190763228 SXGIWARUKCZFKT-LJQANCHMSA-N 335.411 2.601 30 50 EFEA CC#CC(=O)N1CCC(CCc2ccccc2)(C(=O)OCC)CC1 11842061 AHHBUPLKWDEEOG-UHFFFAOYSA-N 327.424 2.814 30 50 EFEA C=CCC(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 12581363 RXKIHTZWYGTSJU-LJQANCHMSA-N 348.393 2.882 30 50 EFEA N#Cc1ccc(NCC(=O)N2CCO[C@@]3(CCc4ccccc43)C2)cc1 155511537 ADZROHQLHJEYBX-NRFANRHFSA-N 347.418 2.671 30 50 EFEA C[C@]1(Br)C[C@H]1C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 862164489 HFDGDDOKNJQVOM-VBNZEHGJSA-N 348.244 2.639 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H](c2nnc3ccccn23)C(C)C)N=N1 952880526 GPUUNNCDQOWMSN-MRXNPFEDSA-N 338.415 2.898 30 50 EFEA N#CCN(CC(=O)N1CC([C@H]2CC2(F)F)C1)c1cccc(Cl)c1 1875296840 RGOUFNKUVWABRD-CQSZACIVSA-N 339.773 2.784 30 50 EFEA N#Cc1ccccc1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 390748 CTQLPADCDBBCSX-UHFFFAOYSA-N 338.754 2.560 30 50 EFEA COc1cc(OC)cc(C(=O)[C@H]2O[C@H]2c2ccc3c(c2)OCO3)c1 2519714 IJQCFXVZGJBTKN-ZWKOTPCHSA-N 328.320 2.755 30 50 EFEA O/C(=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1cccnc1O 328626117 LJNOHGLMCNLULL-SECBINFHSA-N 340.305 2.570 30 50 EFEA Cc1ncc(-c2c(C#N)c(N)nc3c2CCc2c(O)cccc2-3)n1C 71750757 KUWZTSCYSIHBSJ-UHFFFAOYSA-N 331.379 2.716 30 50 EFEA CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(C#N)cc2OC)[nH]n1 184867715 YPYYTKYBVCEGRR-LLVKDONJSA-N 348.428 2.994 30 50 EFEA N#C[C@@]1(NC(=O)c2ccc3c(c2)CCC(=O)N3)CCc2ccccc2C1 186886036 OZXRCRDRORXTFI-OAQYLSRUSA-N 345.402 2.752 30 50 EFEA Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCO)cc1 6420722 JTAHKXXTBSKUAH-QGZVFWFLSA-N 337.375 2.566 30 50 EFEA N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cnc2c(c1)C(=O)CCC2 1857532575 PJZJOAHOYNPNGY-GOSISDBHSA-N 331.375 2.890 30 50 EFEA C=CCn1c(SCC(=O)NC)nnc1C12CC3CC(CC(C3)C1)C2 4985951 FLWITNIEYKWJCR-UHFFFAOYSA-N 346.500 2.770 30 50 EFEA C[C@@H](C(=O)N(CC#Cc1ccccc1)C1CCCC1)N1CCCC1=O 55392878 SLMOECWFYJYWES-KRWDZBQOSA-N 338.451 2.820 30 50 EFEA CC(=O)c1c(F)cccc1N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 240412637 FNNBDJRPLTXWPC-RNODOKPDSA-N 349.365 2.878 30 50 EFEA Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]3S[C@@H]3[C@@H]5[C@H]4[C@H]23)cc1 248009779 IJOQHVCJLFLQPZ-NJNIFPKRSA-N 334.462 2.695 30 50 EFEA CN(Cc1cccnc1)C[C@@H]1CCN(Cc2ccc(C#N)s2)C1 190471261 QBUSKVSGSADJGN-INIZCTEOSA-N 326.469 2.969 30 50 EFEA O=C(O)COc1ccccc1/C=N/n1c(-c2ccco2)n[nH]c1=S 4426786 KXVXELNJBWKFTM-LZYBPNLTSA-N 344.352 2.546 30 50 EFEA C=CCN(c1ccc(C(=O)NC2CCCCC2)cc1)S(C)(=O)=O 571899 BIANFGMYMJWRNP-UHFFFAOYSA-N 336.457 2.701 30 50 EFEA Cc1ccnc(NC[C@H]2CC(=O)N(CCc3ccccc3)C2)c1C#N 371696163 JRTNXETWGXVPQO-QGZVFWFLSA-N 334.423 2.765 30 50 EFEA N#CCN1CCN(C(=O)c2ccccc2NC2CCCCC2)CC1 239782362 CNZPEDISTHFBJM-UHFFFAOYSA-N 326.444 2.713 30 50 EFEA C=CC[C@@H]1N(/C(O)=N/C[C@@H]2CCCS(=O)(=O)C2)CCCC1(C)C 329714210 SPYWGMAXBBVCEV-GJZGRUSLSA-N 342.505 2.792 30 50 EFEA Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@H](c3ccn[nH]3)C2)c(C#N)c1C 229220512 RAGPDDWRNSKHKR-TZMCWYRMSA-N 341.415 2.698 30 50 EFEA CN1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C[C@@H]1C#N 275366595 UPOPVDVVNDSOAX-LBPRGKRZSA-N 331.725 2.639 30 50 EFEA COc1ccc2c(C)nc(N/C(N)=N/C(=O)c3ccccc3)nc2c1 18284131 TWYVOCLTHFOTPX-UHFFFAOYSA-N 335.367 2.514 30 50 EFEA CC(C)(C)OC(=O)COc1cccc(B2OC(C)(C)C(C)(C)O2)c1 203184077 MOOZLSQYGNTKMD-UHFFFAOYSA-N 334.221 2.706 30 50 EFEA O/C(=N/C[C@@H]1COCCO1)N1CCC(c2cccc(Cl)c2)CC1 329990987 JMXXJKRKGBRNOZ-MRXNPFEDSA-N 338.835 2.849 30 50 EFEA C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1CCC1=CCOC1=O 257429967 GVRNTWSGBWPJGS-OIGVQNGMSA-N 334.456 2.992 30 50 EFEA biogenic C#CCCC1(CCC(=O)NCCc2ccc3c(c2)COCC3)N=N1 2325886290 DTDVCJPHDQCFJI-UHFFFAOYSA-N 325.412 2.774 30 50 EFEA N#Cc1ccccc1/C=C/C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 375678284 SNXREGFPDMNGCR-KXPUMZMLSA-N 334.379 2.848 30 50 EFEA CC(C)(C#N)c1ccccc1CN1CCOC[C@@H]1[C@H]1CCC[C@H]1O 284640460 CBHRWJTVUXAYOK-BHIYHBOVSA-N 328.456 2.850 30 50 EFEA CCN1CCN(C(O)=Nc2cscc2C)C[C@@H]1c1nccn1C 328628980 OHNJQRPFHAESIC-CQSZACIVSA-N 333.461 2.714 30 50 EFEA N#Cc1cc2c(nc1NCc1nnc([C@H]3CCCOC3)o1)CCCC2 886079426 XURFDOSTUXYLDF-ZDUSSCGKSA-N 339.399 2.721 30 50 EFEA CCN1CCOC[C@H]1/C(O)=N/CCc1nc2ccccc2n1C(C)C 328586793 YALGMULJQJDXPL-KRWDZBQOSA-N 344.459 2.837 30 50 EFEA C[C@H](/N=C(/O)N1CCOC[C@@H]1[C@@H]1CCCO1)c1cccc(F)c1F 329302810 WOXUZPJUZFEHDJ-GLQYFDAESA-N 340.370 2.820 30 50 EFEA Cc1cc(N[C@@H]2CCOC[C@H]2OCc2cscn2)nc(C)c1C#N 223547360 KKPPNUCPTGTOND-HZPDHXFCSA-N 344.440 2.813 30 50 EFEA COCc1n[nH]c([C@@H]2CCCCN2Cc2ccc(C#N)cc2F)n1 289017619 GASCSZYOOFPRAM-HNNXBMFYSA-N 329.379 2.689 30 50 EFEA Cn1ncc2ncc(C(=O)N3CCC(C#N)(c4ccccc4)CC3)cc21 1940195314 LGOCPWTUYYMMPB-UHFFFAOYSA-N 345.406 2.666 30 50 EFEA C=C(C)[C@H]1OCC[C@H]1/C(O)=N/C[C@@H]1C[C@@H](O)CN1Cc1ccccc1 328588788 WIZYDIZXQRWIEA-WJFTUGDTSA-N 344.455 2.560 30 50 EFEA Cc1c(Cl)cnc(NCc2cc(O[C@H]3CCNC3)ccn2)c1C#N 818627541 BIKLYXDCPPPHCF-AWEZNQCLSA-N 343.818 2.663 30 50 EFEA COc1ccc(-c2cc(-c3cnn(C)c3C)c(C#N)c(N)n2)c(OC)c1 67934791 GHERKDAUQAFRSL-UHFFFAOYSA-N 349.394 2.929 30 50 EFEA C[C@H](CN1CCc2ccccc2C1)NCc1cc(C#CCO)cs1 952973203 WRDGIYXNKUSXER-MRXNPFEDSA-N 340.492 2.628 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)CSc2ccc(C)cc2)cc1 5047620 BBQONPVCKKJLCQ-UHFFFAOYSA-N 330.409 2.959 30 50 EFEA C/N=C1\S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1C 16247999 HOZOUDNCQLKUJI-DNZUHHBVSA-N 327.409 2.728 30 50 EFEA C#CCCC1(CCC(=O)N(C)[C@@H](c2ccccc2)c2nc[nH]n2)N=N1 2325886322 KVGXOOPUDBGOCD-INIZCTEOSA-N 336.399 2.708 30 50 EFEA Cc1ncc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)cc1C#N 314990907 YXILLCRLPXOXFX-UHFFFAOYSA-N 325.752 2.855 30 50 EFEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1sccc1C#N 328619490 FWKAWKUQIBXKJA-HOTGVXAUSA-N 340.452 2.780 30 50 EFEA C/C(O)=N/[C@H](CC1CCC1)C(=O)N1CC2(CCOCC2)[C@H]1C1CC1 329290724 IMPNJSKWHOWHCZ-IAGOWNOFSA-N 334.460 2.939 30 50 EFEA C=CCOc1cccc(C(=O)N2CC[C@@](O)(COC)C(C)(C)C2)c1 91747030 NGDBWGAXAILHGS-LJQANCHMSA-N 333.428 2.501 30 50 EFEA N#Cc1cccnc1N1CCC[C@H](c2nccn2Cc2ccncc2)C1 95506805 MRZBHVBBCKOWJT-SFHVURJKSA-N 344.422 2.977 30 50 EFEA N#Cc1ccnc(NS(=O)(=O)c2ccc(Br)s2)c1 170608322 BRYXMVYCFSJCHB-UHFFFAOYSA-N 344.215 2.578 30 50 EFEA CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(c2ccc(C#N)cc2)CC1 328639058 PJZPSVDTNNHWKN-SFHVURJKSA-N 347.484 2.731 30 50 EFEA C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1CCC(=O)O 237679907 TZSJXVWYOLFJIP-ZFWWWQNUSA-N 330.384 2.571 30 50 EFEA C=CC[C@@]1(CO)CCCN(Cc2cc3c(cc2OC)OCCO3)C1 91794414 LOXGTFMOYLOJHZ-LJQANCHMSA-N 333.428 2.617 30 50 EFEA Cc1ncc(S(=O)(=O)N(C2CCC(C)CC2)C2CC2)cc1C#N 408358571 PJRMDEMODQFGGV-UHFFFAOYSA-N 333.457 2.994 30 50 EFEA N#CC1(c2ccccc2)CCN(C(=O)[C@H]2CCn3nccc3C2)CC1 1857673455 SQMUIKRWJSMJAK-INIZCTEOSA-N 334.423 2.529 30 50 EFEA N#CC1(C(=O)N[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)CCOCC1 1875396288 AWLYRPULBIUQNU-UONOGXRCSA-N 338.329 2.998 30 50 EFEA N#Cc1cc(Br)ccc1N1CCO[C@@H]([C@H]2CCCO2)C1 252486277 HONMFSADWXMJKB-HUUCEWRRSA-N 337.217 2.705 30 50 EFEA CCC1(C(=O)N2CCN(c3cc(C#N)nc(C)n3)[C@@H](C)C2)CCCC1 2325899397 BIYKNMKZZHLNRC-AWEZNQCLSA-N 341.459 2.664 30 50 EFEA N#Cc1ccc([C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(O)c32)cc1 826779473 NEZSFJJMQDRNAU-AWEZNQCLSA-N 349.394 2.518 30 50 EFEA C[C@@H]1CN(C(=O)NCc2cc3ccccc3o2)C[C@@H](C)N1CC#N 864095473 MUOFEAUSIGQUMF-ZIAGYGMSSA-N 326.400 2.561 30 50 EFEA C#CCCC1(CCC(=O)Nc2nc(C)c(C(=O)OCC)s2)N=N1 2325892338 JRRZDISFVRSJIC-UHFFFAOYSA-N 334.401 2.922 30 50 EFEA C=CCNc1nc(Nc2ccc(OC)cc2OC)nc(OCC)n1 2846702 URWDKKGLPQBKIG-UHFFFAOYSA-N 331.376 2.629 30 50 EFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cn(CC)nc1C(F)(F)F 281360924 KQTAVGIUWFEJHA-PWSUYJOCSA-N 331.338 2.633 30 50 EFEA N#CCCCS(=O)(=O)N1CCc2cc(Br)cc(F)c21 178146110 KECOIPRYBGXQHK-UHFFFAOYSA-N 347.209 2.584 30 50 EFEA N#Cc1ccccc1C(=O)N1CCC(Cc2noc(C3CC3)n2)CC1 299783089 XPLZLZGGKXOQFL-UHFFFAOYSA-N 336.395 2.914 30 50 EFEA N#Cc1cccc(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)n1 1565512605 HQMXJPSUZMAQCW-AEFFLSMTSA-N 332.407 2.581 30 50 EFEA CCC#CCN1CCCN(C(=O)c2c(F)cc(OC)cc2F)CC1 1772807754 UKUNOMFWIBQEKX-UHFFFAOYSA-N 336.382 2.535 30 50 EFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1 13286632 YAWYILARLSRBPE-SFHVURJKSA-N 341.407 2.844 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 19314998 GDKOLLQVTJRYRK-INIZCTEOSA-N 342.351 2.736 30 50 EFEA C#CCCC1(CCNC(=O)CC[C@H]2[C@H](C)n3nccc3N[C@@H]2C)N=N1 2325891585 PJULODNEJKYPJS-QLFBSQMISA-N 342.447 2.736 30 50 EFEA Cc1cc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)nc(N)n1 2896948 PYLQFLPNCXPNNY-UHFFFAOYSA-N 339.186 2.917 30 50 EFEA CCOc1cc(/C=N/n2c(S)nnc2-c2ccncc2)ccc1O 4899245 NLDNQXVVECOHKO-VCHYOVAHSA-N 341.396 2.615 30 50 EFEA O=C(NC[C@@H]1CCCN(CC#Cc2ccccc2)C1)c1cccnc1 12474556 BKCJJANHUVOESP-IBGZPJMESA-N 333.435 2.575 30 50 EFEA CCOc1ccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)cc1 4721293 QXLDALLUSTXDEZ-OAHLLOKOSA-N 328.412 2.885 30 50 EFEA N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 377294781 VRZZKDZMRWCEOE-RTBURBONSA-N 345.402 2.576 30 50 EFEA COc1cc(C=NN2CCN(Cc3ccccc3)CC2)ccc1O 245298236 YQSUJZQWPPACLY-UHFFFAOYSA-N 325.412 2.553 30 50 EFEA N#Cc1cccc(S(=O)(=O)N2CCC[C@H]2[C@@H]2CCCO2)c1Cl 1463694501 RTOBONQNESMSBU-STQMWFEESA-N 340.832 2.544 30 50 EFEA N#C[C@@]1(C(=O)N2CC3(CCC3)[C@@](F)(C(=O)O)C2)CC2CCC1CC2 923087570 ZSMLTWUVUUEJQR-YCWMGOOZSA-N 334.391 2.512 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2CCC[C@H]2Cc2cc(C)nn2C)N=N1 2325886329 MMZSOFBJVHGLCN-RDJZCZTQSA-N 341.459 2.912 30 50 EFEA C#CCCC1(CCNC(=O)[C@H](C)Cc2cnc3ccccc3n2)N=N1 2325887406 OLPNPHCMFNAOMX-CQSZACIVSA-N 335.411 2.890 30 50 EFEA C=C(Cl)CN(CC(=O)NC[C@@H]1CCOC1)[C@H]1CCc2ccccc21 241470691 NXBLPZACOSHOBN-YJBOKZPZSA-N 348.874 2.881 30 50 EFEA Oc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1O 19791036 GAZOUNTWBRXNCT-UDWIEESQSA-N 345.830 2.903 30 50 EFEA N#Cc1cnn2c(O)cc(CN3CC[C@@H]4CCCCC[C@@H]4C3)nc12 2325771981 JOFIWYCIVRSCRR-UONOGXRCSA-N 325.416 2.709 30 50 EFEA N#Cc1c(N)c(C(=O)c2ccc(Br)cc2)n2c1CCC2 198587 JLSCORITCOMFAE-UHFFFAOYSA-N 330.185 2.882 30 50 EFEA aggregator COc1nccc(N2CCC[C@@]3(CCc4cnc(C)nc43)C2)c1C#N 2356144166 LKXMZWIWZTUOFS-LJQANCHMSA-N 335.411 2.545 30 50 EFEA COc1cc(C(=O)/C=C/c2c(Br)cnn2C)ccc1O 6790312 ZXCZOZZXSXKXJJ-GQCTYLIASA-N 337.173 2.793 30 50 EFEA COc1cccc([C@@H]2C[C@@H](C)CN2CC(=O)N[C@](C)(C#N)C2CC2)c1 374603811 LRXMACOXPSFGJY-HEFCMCLBSA-N 341.455 2.887 30 50 EFEA C[C@H]1OCCC[C@H]1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 191273913 IBWZMJCTANIMOQ-RDTXWAMCSA-N 328.412 2.743 30 50 EFEA CCC#CCN1CCCN(C(=O)COc2cccc(C)c2C)CC1 1529119551 JTYRZDOIYITEPG-UHFFFAOYSA-N 328.456 2.630 30 50 EFEA Cc1nc(C2=C(N)N(CCCc3ccccc3)CC2=O)sc1C 13691995 QKYQJNBUNNEVDA-UHFFFAOYSA-N 327.453 2.905 30 50 EFEA c1ccc([Si](c2ccccc2)(c2ccccc2)[C@@H]2C[C@]23CO3)cc1 169833388 KKZITRSIIVACAG-YADHBBJMSA-N 328.487 2.700 30 50 EFEA CC(C)(C)C(=O)N1CCN(/C(O)=N/CCCc2ccccc2F)CC1 331076304 WIGPRNVEWPFTHH-UHFFFAOYSA-N 349.450 2.863 30 50 EFEA Cc1ccc(F)c(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 452008023 OMZJCKYEEDQSHJ-INIZCTEOSA-N 339.370 2.623 30 50 EFEA C#CCCC1(CCC(=O)NCc2ccc(N3CCCC3)nc2)N=N1 952879997 CTRRYDGUVLTIDE-UHFFFAOYSA-N 325.416 2.654 30 50 EFEA N#C[C@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 1875268097 SYPOOSYUYSYTPJ-SNVBAGLBSA-N 345.200 2.825 30 50 EFEA C#CCC[C@@H]1CCCCN1C(=O)c1cccc2c1O[C@@H](C)C(=O)N2 1875329634 AXXHKJHXWDTULP-UONOGXRCSA-N 326.396 2.814 30 50 EFEA CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc2c(c1)OCCO2 100318015 JRYQSGCGMSHYHY-LVZFUZTISA-N 336.351 2.648 30 50 EFEA CC(=O)Nc1ccc(OC(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 170003313 DIAPDNHZGDPIGJ-UHFFFAOYSA-N 345.126 2.843 30 50 EFEA Cc1nc2ccc(N=C(O)[C@@H]3CCCN3c3nccs3)cn2n1 329091574 JOOJZKHTJNZBIO-LBPRGKRZSA-N 328.401 2.751 30 50 EFEA CN1C[C@H](C(=O)N(CCC#N)CC(C)(C)C)c2ccccc2C1=O 365967471 WQVQXCJQJXKKOY-INIZCTEOSA-N 327.428 2.644 30 50 EFEA COC(=O)C1=C(N)c2c(F)cccc2[C@@]1(C#N)c1ccc(F)cc1 20218742 PBNJGMAIWKFONB-GOSISDBHSA-N 326.302 2.631 30 50 EFEA C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccccc2CC#N)C1=O 225795779 ATAMWEWPXPAYOA-AWEZNQCLSA-N 349.390 2.895 30 50 EFEA N#Cc1cnc(N2CCO[C@H](c3cccc(Br)c3)C2)cn1 123098635 RXFBYUJQWRVAIK-AWEZNQCLSA-N 345.200 2.689 30 50 EFEA C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]1c1ccccc1Cl 253398619 GLOCWMARVNKAMD-IUODEOHRSA-N 341.864 2.813 30 50 EFEA CC(C)C#CC(=O)NCCN=[S@@](=O)(c1ccccc1)C(F)(F)F 1153087982 VWCAQGDTFBLSBY-HSZRJFAPSA-N 346.374 2.809 30 50 EFEA CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2cc(F)ccc2C#N)C1 1775957447 VLHLFCHATCYXBJ-PKOBYXMFSA-N 341.386 2.761 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H](C(=O)O)[C@H]2CCc3ccccc32)N=N1 2325887134 VWGFEHIAFOMBOW-DOTOQJQBSA-N 339.395 2.642 30 50 EFEA COc1c(C)cccc1/C=N\Nc1ncc(F)c(N2CCCC2)n1 226095106 MXHHDLRUDHVPEP-JMIUGGIZSA-N 329.379 2.979 30 50 EFEA Cc1ccc(N=C(O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)cn1 328629986 PITJGHCCJPXENO-CYBMUJFWSA-N 331.376 2.515 30 50 EFEA COC(=O)c1cnc(O)c(N=C(O)[C@@H](C)/N=C(/O)CC(C)(C)C)c1 330033295 YXTFXEBJWSURMB-SECBINFHSA-N 337.376 2.943 30 50 EFEA CCOc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 381174 SPLVTVLTCGCBDD-DOTOQJQBSA-N 345.395 2.549 30 50 EFEA COCCOc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Cl 169746600 HVLITDMFBWNGJO-UHFFFAOYSA-N 330.592 2.804 30 50 EFEA in-vitro C[C@@H]1CC(C)(C)OB(c2ccc(I)cc2)O1 169807039 LTEDPPGGUGAOAC-SECBINFHSA-N 329.974 2.590 30 50 EFEA in-vitro C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cccnc1 673731133 PJWABPUJAIWTMG-UHFFFAOYSA-N 334.379 2.762 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H](C(=O)O)[C@@H]2CCc3ccccc32)N=N1 2325887135 VWGFEHIAFOMBOW-NVXWUHKLSA-N 339.395 2.642 30 50 EFEA CC(C)C(=O)NC[C@H]1CCCN(CCCC2(C#N)CCOCC2)C1 225626629 IQFRPSKSIFAJKC-QGZVFWFLSA-N 335.492 2.571 30 50 EFEA CN(C)c1ccc(N[C@H]2CCCN(/C(O)=N/CC3CC3)CC2)cn1 328622047 AXMVGPVNPRZISU-HNNXBMFYSA-N 331.464 2.738 30 50 EFEA Cc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1cnc(N(C)C)nc1 71479689 VEOMQXWSFGXAHG-UHFFFAOYSA-N 346.394 2.740 30 50 EFEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1ccccc1C#N)CC2 91724532 SLRKQLXOBDJJIY-UHFFFAOYSA-N 337.423 2.589 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)COc2ccc(Cl)c(C)c2)cc1 5749971 LYDFLDHOGBAEKW-UHFFFAOYSA-N 348.786 2.900 30 50 EFEA C=CCn1c(SCc2cc(OC)ccn2)nnc1-c1cnccn1 124046041 YPKGXKNQAJJHSV-UHFFFAOYSA-N 340.412 2.617 30 50 EFEA CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 252474680 JZFWPXOPVURGOW-WRFANHODSA-N 340.379 2.807 30 50 EFEA N#Cc1ccc(C(=O)NCc2csc(Cc3ccccc3)n2)cn1 218022219 WVZGXZXLSYDOAW-UHFFFAOYSA-N 334.404 2.931 30 50 EFEA Cc1cc(C)nc(CNC(=O)N2CCC(C#N)(c3ccccc3)CC2)n1 426473565 LJORTZCNFASMFX-UHFFFAOYSA-N 349.438 2.860 30 50 EFEA C#CCCC1(CCC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)N=N1 952879839 ABOGHMDFOYYERF-MRXNPFEDSA-N 330.407 2.900 30 50 EFEA C=CCOC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 4755813 VKNSXAARPQMYHR-SDNWHVSQSA-N 342.307 2.688 30 50 EFEA CC1(C)OB(c2cc(OC(F)(F)F)ccc2[N+](=O)[O-])OC1(C)C 170006155 ZDPYYLYOJXPYQC-UHFFFAOYSA-N 333.071 2.793 30 50 EFEA Cc1cc(N(C)CCCc2n[nH]c(N)c2C#N)c2cc(F)ccc2n1 120422826 VWJYYEZHDVVMOG-UHFFFAOYSA-N 338.390 2.928 30 50 EFEA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)/C(O)=N/[C@H]1C=CCCC1 328624034 JPPHCQUTQQSWSE-RYQLBKOJSA-N 345.491 2.758 30 50 EFEA C[C@](C#N)(NC(=O)CN1CCC[C@H]1CCc1ccccc1)C1CC1 242339319 ZGVSYLWOUBPSAN-AZUAARDMSA-N 325.456 2.892 30 50 EFEA C=CCN(CC=C)CN1C(=O)C(=O)c2cc(Br)ccc21 22135308 CQLAKCGPNGMQJI-UHFFFAOYSA-N 335.201 2.610 30 50 EFEA CN(C)c1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 71930 FJZPISJBKFVSKJ-GZTJUZNOSA-N 337.832 2.718 30 50 EFEA Cc1cc(C)c(C#N)c(NC[C@@H]2CCCO[C@H]2c2cnn(C)c2)n1 886080234 QVJNDSGBGIKALY-WMLDXEAASA-N 325.416 2.883 30 50 EFEA CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2ccc(C#N)c(F)c2)C1 1775957401 SJYGBISHWONULU-FUHWJXTLSA-N 341.386 2.761 30 50 EFEA C#CCCC1(CCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)N=N1 2325891930 IZFOJAKNCBOKPE-LLVKDONJSA-N 326.356 2.700 30 50 EFEA CC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OC2CCCC2)cc1 4842409 OMVJKWZEOMNQNR-QGZVFWFLSA-N 339.399 2.872 30 50 EFEA CCN1CCN(/C(O)=N/CCC2=CCCC2)C[C@H]1c1nccn1C 328635137 UOHFTUICLVANDE-INIZCTEOSA-N 331.464 2.513 30 50 EFEA OC(=Nc1cc2c(cc1Br)OCCO2)N1CCCCO1 328589640 DZJPOXCWBAHANG-UHFFFAOYSA-N 343.177 2.793 30 50 EFEA CC1(C)CN(C(=O)CC2=C(c3ccccc3)CCC2=O)C[C@@]1(C)O 92076920 QCVMXIIWCJJGSR-HXUWFJFHSA-N 327.424 2.813 30 50 EFEA CC(C)CC[C@@]1(C2CC2)NC(=O)N(Cc2ccc(C#N)cn2)C1=O 408522845 MNNMMWOZTMMYQM-SFHVURJKSA-N 326.400 2.590 30 50 EFEA COc1ccc(C/C(N)=N/OC(=O)COc2ccc(C)c(C)c2)cc1 4318739 MHADDCDKNDAUAE-UHFFFAOYSA-N 342.395 2.749 30 50 EFEA N#Cc1cccc([C@@H]2CN(Cc3nnc(C4CC4)n3C3CC3)CCO2)c1 364637211 YAHNVZQBEJEARI-SFHVURJKSA-N 349.438 2.936 30 50 EFEA C#CCCC1(CCC(=O)Nc2nc(-c3ccnn3C)cs2)N=N1 2325892922 REZZNMFQNYIBIT-UHFFFAOYSA-N 328.401 2.838 30 50 EFEA N#Cc1ccc(N2CCC[C@](CO)(Cc3ccc(F)cc3)C2)nc1 67559663 WUZYXIMCWMNBBI-IBGZPJMESA-N 325.387 2.914 30 50 EFEA N#Cc1c(NC(=O)Cn2ccc([N+](=O)[O-])n2)sc2c1CCCCC2 1429408 QTMFIAZWFLBMDN-UHFFFAOYSA-N 345.384 2.632 30 50 EFEA CCn1nc(C)c(-c2cc(-c3ccc(CO)o3)c(C#N)c(N)n2)c1C 71746578 HIXJHNKYDGRLOG-UHFFFAOYSA-N 337.383 2.788 30 50 EFEA COc1ccc(CN[C@@H](c2nccn2C)C2CCOCC2)cc1C#N 284776483 QCWXOWMXTHYSMB-GOSISDBHSA-N 340.427 2.558 30 50 EFEA CC/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 5106972 LUMYLGQNJDTUCR-OBGWFSINSA-N 348.424 2.796 30 50 EFEA Oc1ccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)cc1O 1279787 ALRYTASSMJPOCU-CAOOACKPSA-N 330.344 2.666 30 50 EFEA COc1cc(/C=N/N=C2\NC(=O)[C@H](c3ccccc3)S2)ccc1O 5670153 JFDJCUVTFVZIGT-ZNBBLSJYSA-N 341.392 2.695 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)N=N1 952879970 IKIWVUCANBLHLS-ZDUSSCGKSA-N 345.834 2.786 30 50 EFEA Cc1nc(N/N=C/c2cnc3cnccn23)c2c3c(sc2n1)CCC3 1875261556 HXUFBDLSFJEZPM-DNTJNYDQSA-N 349.423 2.977 30 50 EFEA C#CCCC1(CCC(=O)NC[C@@H](c2ccc(OC)cc2)N(C)C)N=N1 2325891970 RKCZHPRCTKILEA-KRWDZBQOSA-N 342.443 2.770 30 50 EFEA Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C(C)(C)C)sc1C#N 154247268 KPYSYIIKPYBZEP-UHFFFAOYSA-N 347.400 2.969 30 50 EFEA CC(C)=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)S1 4680023 DALDXJLFMLYZEL-CYBMUJFWSA-N 332.429 2.615 30 50 EFEA CCN(C)C(=O)CNc1c(C#N)cnc2c(Br)cccc12 225644470 QVDFKUFTQNQRLE-UHFFFAOYSA-N 347.216 2.759 30 50 EFEA Cc1cc(Cl)c2ncc(C#N)c(N3CCn4nc(C)nc4C3)c2c1 225778077 VUIIUDORMCHKIL-UHFFFAOYSA-N 338.802 2.988 30 50 EFEA Cc1nnc(N2CCN(c3cncc4ccccc34)CC2)c(C#N)c1C 253419386 LTBBFXPWQGRLBU-UHFFFAOYSA-N 344.422 2.840 30 50 EFEA CSc1nc(O)nc(C)c1C(=O)N[C@H](C)c1ccc(C#N)cc1 266990770 VFIUBFDTDPDCRD-SECBINFHSA-N 328.397 2.575 30 50 EFEA Cc1nc([C@H]2OCC[C@H]2CNc2ncc(Cl)c(C)c2C#N)n[nH]1 888094495 VUBKPAPQDTZJQZ-GWCFXTLKSA-N 332.795 2.531 30 50 EFEA COc1ccc(-c2cc(-c3cncn3C)c(C#N)c(N)n2)c(OC)c1 67895813 FCKJCPCDNFVPND-UHFFFAOYSA-N 335.367 2.620 30 50 EFEA Cn1cc([C@H]2OCCC[C@@H]2/N=C(/O)[C@@H]2C[C@H]2c2cccnc2)cn1 328630466 PXHNFVKLUGZRFL-VVLHAWIVSA-N 326.400 2.795 30 50 EFEA COc1ccc(CN2C(=O)N[C@@](C)(C3CCCC3)C2=O)cc1C#N 374524365 VTSBQYGRRPHZIK-SFHVURJKSA-N 327.384 2.568 30 50 EFEA Cc1nc(C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)ccc1C#N 378585114 UUBZCPHJTSBTLE-MRXNPFEDSA-N 331.379 2.699 30 50 EFEA Cc1cccc(-c2nc(C#N)c(NCCCN3CCOCC3)o2)c1 20149942 VBVYCVPXGACYMH-UHFFFAOYSA-N 326.400 2.656 30 50 EFEA CN1CCN(c2c(C#N)nnc3ccccc23)C[C@H]1Cc1ccccc1 286824370 XJPWUSGTVOCWSQ-QGZVFWFLSA-N 343.434 2.865 30 50 EFEA Cc1ccc(Cn2nc(C#N)c(=O)n3nc(-c4ccccc4)cc23)cc1 96511544 ZQUSEARJGZYMFE-UHFFFAOYSA-N 341.374 2.786 30 50 EFEA C=CCOc1ccccc1OCCN1CCC(C(=O)OCC)CC1 6702912 IOYZTTADPAWIIM-UHFFFAOYSA-N 333.428 2.905 30 50 EFEA C=CCn1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 101021172 XLWQJNOLXOZJFU-FYHYWYESSA-N 345.402 2.968 30 50 EFEA C[C@@H]1CN(C(O)=Nc2ccccc2OC(F)F)C[C@@]2(CCOC2)O1 328587642 DRXYTVOACZAYAF-BDJLRTHQSA-N 342.342 2.713 30 50 EFEA OCCOCC/N=C(/O)Nc1ccccc1-c1c(F)cccc1F 328588254 MSCYYJDKAZZQAY-UHFFFAOYSA-N 336.338 2.967 30 50 EFEA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2cccc(C#N)c2)n1C 328623637 CAEUCFJZFOUTAP-SFHVURJKSA-N 336.439 2.984 30 50 EFEA COc1ccc2c(c1)C(=O)/C(=C\c1cc(O)ccc1[N+](=O)[O-])CO2 170655419 CBWSJXXKUYQWPM-WDZFZDKYSA-N 327.292 2.968 30 50 EFEA O=S(=O)(N/N=C/c1ccccc1Br)c1ccccc1 222265 WPQPPMYZTDRYRL-XNTDXEJSSA-N 339.214 2.762 30 50 EFEA O=C1Nc2ccc([N+](=O)[O-])cc2N/C1=C\C(=O)c1ccc(F)cc1 4955077 RZKUYIDSFHHZPX-ZSOIEALJSA-N 327.271 2.865 30 50 EFEA COc1ccc2c(c1OC)Cc1c-2nc(N)c(C#N)c1[C@H]1CCOC1 71764839 QCEYKWPOJOHLCU-JTQLQIEISA-N 337.379 2.628 30 50 EFEA CCN1CC[C@H](NC(=O)C(C)(C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 253370627 UBLWYIUMKXVTOK-DZGCQCFKSA-N 339.361 2.905 30 50 EFEA Cc1cc(C#N)cc(N2CC[C@](CO)(Cc3ccc(F)cc3)C2)n1 377157549 GTUCRMXRAWMLKW-IBGZPJMESA-N 325.387 2.832 30 50 EFEA Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1ccc(C#CC(C)(C)O)o1 221335211 YOIGPMSCKGCUAP-ZDUSSCGKSA-N 344.436 2.974 30 50 EFEA C=C(C)C[C@H](C)C(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(O)cc2)C1 295260477 FZADSCRVOSSAHI-RRQGHBQHSA-N 331.412 2.710 30 50 EFEA O=S(=O)(O)CCCN1CCS/C1=C\C=Nc1ccccc1 254590733 DMMOMOLSKPDLPY-VXZARNCSSA-N 326.443 2.557 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2CCN(c3ccccc3OC)C2)N=N1 952882407 VIZSWRCPFIJJIM-HNNXBMFYSA-N 340.427 2.746 30 50 EFEA C#CCCC1(CCC(=O)N[C@H](CO)c2csc(C(C)C)n2)N=N1 2325892397 LXTZZHBHHGAXRE-GFCCVEGCSA-N 334.445 2.772 30 50 EFEA Cc1c(N[C@H](C(N)=O)c2ccc(C#N)cc2)cnn1-c1ccccc1 126474565 CRMCBOBELYQNRF-SFHVURJKSA-N 331.379 2.691 30 50 EFEA N#Cc1ccccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 106616 RMANMBVNISPHLW-UHFFFAOYSA-N 326.337 2.593 30 50 EFEA COc1ccc(C(=O)O/N=C(\N)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 4912871 AXZZJCGKCMXHIT-UHFFFAOYSA-N 349.730 2.734 30 50 EFEA COCCn1c(C)cc(C(=O)CSc2ncccc2C#N)c1C 7051833 XSFGNGZXRAUZBM-UHFFFAOYSA-N 329.425 2.993 30 50 EFEA C[C@H](NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(C#N)cc1 222154315 YVZKSRQQUGCBRF-ORYQWCPZSA-N 335.451 2.844 30 50 EFEA CN(CCC#N)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 245397969 RASCISHUOAQCBL-KURKYZTESA-N 339.439 2.832 30 50 EFEA CCC(C)(C)c1cc(-c2c(C)nn(CCO)c2C)c(C#N)c(N)n1 71752168 WELQEGCWDHWHBU-UHFFFAOYSA-N 327.432 2.696 30 50 EFEA Cc1ccc(C)c(CC(=O)N2CCN(c3ccccc3C#N)C(=O)C2)c1 82098725 NNYAQWCMVNOZFJ-UHFFFAOYSA-N 347.418 2.593 30 50 EFEA COC(=O)c1ccc2c(=O)cc(C3=C(O)CC(C)(C)CC3=O)[nH]c2c1 334157666 MUABKWZBTKSISP-UHFFFAOYSA-N 341.363 2.973 30 50 EFEA O=S(=O)(N/N=C\c1ccc(O)cc1)c1ccc2ccccc2c1 32577592 SGRPQLNKDSAMEK-PDGQHHTCSA-N 326.377 2.858 30 50 EFEA O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@H]1CO1 1875373076 SXYDGBDQJSISFU-KGLIPLIRSA-N 329.318 2.688 30 50 EFEA C#CCCC1(CCC(=O)NC[C@@H](c2ccccc2)n2cccn2)N=N1 2325892895 PAGKJDUNUVLHRZ-KRWDZBQOSA-N 335.411 2.944 30 50 EFEA CCc1nccn1[C@@H]1CCCN(C(O)=Nc2ncc(OC)s2)C1 329243125 OTCZZXMSMKHCON-LLVKDONJSA-N 335.433 2.793 30 50 EFEA CCCCc1nc(C)cc(NCCNC(=O)c2ccccc2C#N)n1 299792277 FIQQCLUOPYSFSR-UHFFFAOYSA-N 337.427 2.841 30 50 EFEA N#Cc1ccc(N2CCN(C(=O)Cc3cncs3)CC2)c(Cl)c1 277694122 LWQSZSNQGHCOEO-UHFFFAOYSA-N 346.843 2.559 30 50 EFEA Cn1cc(C#N)cc1C(=O)N1CCC([C@H](O)c2cccs2)CC1 1506401706 LGFQJDJWQKBIDY-INIZCTEOSA-N 329.425 2.544 30 50 EFEA CN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 169745907 QGBJKHALDLKAGX-UHFFFAOYSA-N 334.225 2.752 30 50 EFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccncc1Br 331241901 PDYOQKDPJBCWJY-MFKMUULPSA-N 325.206 2.555 30 50 EFEA CCOCCn1nc(C2CCCC2)nc1-c1cc(C#N)c(O)nc1C 2356152178 RZANFIDVYYGVPC-UHFFFAOYSA-N 341.415 2.920 30 50 EFEA C=CCn1cc(CNCc2ccccc2CN2CCCC2=O)c(C)n1 55182883 CZGCHXMFHJQOCM-UHFFFAOYSA-N 338.455 2.790 30 50 EFEA CN(C)c1ncccc1O[C@H]1CCN(/C(O)=N/Cc2ccsc2)C1 328631405 QVRXPTJBMWDPFH-AWEZNQCLSA-N 346.456 2.776 30 50 EFEA O=C(c1cccs1)N1CCC[C@H]1/C(O)=N/Cc1ncccc1O 328594292 UJGRAJOOZVFKBC-LBPRGKRZSA-N 331.397 2.610 30 50 EFEA COC[C@](C)(C#N)NC(=O)c1cc(Cl)cc(F)c1Br 253415361 OLICCSBIFRRLRQ-LBPRGKRZSA-N 349.587 2.900 30 50 EFEA Cc1ccc(S(=O)(=O)OCC2CN(C(=O)OC(C)(C)C)C2)cc1 74938091 BYWZHBHLUWHUKI-UHFFFAOYSA-N 341.429 2.567 30 50 EFEA C=CCc1cc(C(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)ccc1OC 952961360 JRQWPQATKDERLD-OAHLLOKOSA-N 344.455 2.753 30 50 EFEA C#CCCC1(CCC(=O)N2CC[C@]3(C(=O)O)CCCCC[C@H]23)N=N1 2325900568 AKWNQYRNFVVYJY-WMLDXEAASA-N 331.416 2.978 30 50 EFEA CC(=O)[C@@H]1C(=O)c2ccccc2/C1=N/N=C/c1ccc([N+](=O)[O-])cc1 100658956 ONBYYVQNVSXIPG-MKGIUPKNSA-N 335.319 2.820 30 50 EFEA C[C@H](O/N=C(/N)c1ccc2c(c1)CCO2)c1nc(C(C)(C)C)no1 158213582 BRFYKCXJDBQHDP-JTQLQIEISA-N 330.388 2.700 30 50 EFEA CCn1cc(-c2c(C#N)c(N)nc3c2CCc2c(O)cccc2-3)cn1 71776434 VZRLYYZWDHAFCU-UHFFFAOYSA-N 331.379 2.890 30 50 EFEA N#C[C@H]1CC[C@H](N2CCC(C(=O)NCCc3cccs3)CC2)C1 292938816 ZSOUGJCWCVWRBD-HOCLYGCPSA-N 331.485 2.811 30 50 EFEA Cn1cc([C@H]2OCC[C@@H]2Nc2nc(C(F)(F)F)ccc2C#N)cn1 302768257 ZGVWJEKYTQCQAN-WCQYABFASA-N 337.305 2.648 30 50 EFEA C#CCN1CCC(C(=O)N[C@H](C)CSc2ccc(C)cc2)CC1 187603445 OCJUFORIKAESMM-MRXNPFEDSA-N 330.497 2.937 30 50 EFEA C=CCc1c(C)nc(Nc2nc(C)c3cc(OC)ccc3n2)[nH]c1=O 12653115 GEOQJVVVLWEPEF-UHFFFAOYSA-N 337.383 2.811 30 50 EFEA C#CCCC1(CCC(=O)Nc2cc(F)cc(N3CCOCC3)c2)N=N1 952881585 PYMOXQFARDIDCI-UHFFFAOYSA-N 344.390 2.957 30 50 EFEA C=CCc1cc(CN2CC[C@@H](C)C[C@@H]2C(=O)OC)cc(OC)c1O 221893372 SVARBLAKKGZKMU-CZUORRHYSA-N 333.428 2.903 30 50 EFEA Cc1[nH]c2ccccc2c1/C=N\NS(=O)(=O)c1ccc(F)cc1 17068008 SNKLFIRQEXAGPK-ZDLGFXPLSA-N 331.372 2.928 30 50 EFEA N#Cc1ccc(NC[C@@H]2CCN(C[C@H](O)c3cccc(F)c3)C2)nc1 225218353 FINNZIGBMIQRMS-YJBOKZPZSA-N 340.402 2.560 30 50 EFEA C=CCN(C)C(=O)NCCC(=O)Nc1ccc(Br)cc1 162909384 NMXZGLJLPGONSA-UHFFFAOYSA-N 340.221 2.605 30 50 EFEA C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)C(C)C 12381832 OEORTFLRCRQJIG-UHFFFAOYSA-N 345.399 2.924 30 50 EFEA CC1(C)OB(c2cc(C(F)(F)F)nn2[C@@H]2CCCCO2)OC1(C)C 201193754 JHXFDRHFIZRGGF-LBPRGKRZSA-N 346.158 2.900 30 50 EFEA N#Cc1cccc(N2CCc3c(ncn3CCc3ccccc3)C2)n1 253426075 AYZMKEVYHGTJIV-UHFFFAOYSA-N 329.407 2.955 30 50 EFEA N#Cc1cccc([C@@H]2CN(c3ccc([N+](=O)[O-])c(C#N)c3)CCO2)c1 328588072 PQAAPEHZKYEIRE-SFHVURJKSA-N 334.335 2.916 30 50 EFEA C[C@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1cccc(C#N)c1 371215163 IMPZOPDSSHYDAU-CYBMUJFWSA-N 332.363 2.969 30 50 EFEA CC(=O)Nc1ccc(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 157314213 PNQWJSCPWPOARO-OAQYLSRUSA-N 348.450 2.855 30 50 EFEA COc1ccc(CNC2CCN(c3ccc(C#N)cn3)CC2)cc1F 237357381 VMQMOWJYYBKOGU-UHFFFAOYSA-N 340.402 2.860 30 50 EFEA COc1cc(C(=O)N[C@@H](C#N)C2CCCCC2)cc2c1OCCO2 176580856 GNZJUBCEJMJEQL-AWEZNQCLSA-N 330.384 2.669 30 50 EFEA CC(=O)Nc1ccc(NC(=O)CN2CCCc3cc(C#N)ccc32)cc1 408518989 QEBTWQKROAQDBM-UHFFFAOYSA-N 348.406 2.908 30 50 EFEA CO[C@@H]1C[C@H](c2nnc(C)o2)N(c2cc(C#N)c3ccccc3n2)C1 952852870 NAGWYDGCEPOCRP-CZUORRHYSA-N 335.367 2.764 30 50 EFEA C[C@@H]1C[C@]1(C#N)C(=O)N1CC(C)(c2nnc(-c3ccccc3F)o2)C1 952893170 SNRDIIQEAWSMPR-ADLMAVQZSA-N 340.358 2.525 30 50 EFEA COCCN(Cc1ccc(C#N)cc1)Cc1nc2c(n1C)CCCC2 2325794030 OQUUPWHVZFXHQW-UHFFFAOYSA-N 338.455 2.819 30 50 EFEA CCOc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 381173 SPLVTVLTCGCBDD-RDJZCZTQSA-N 345.395 2.549 30 50 EFEA Cc1noc(C/N=C(/O)N(C)C[C@@H]2CCCc3sc(C)nc32)n1 328627149 MLLWRYHWJJOAME-NSHDSACASA-N 335.433 2.609 30 50 EFEA CC(C)C[C@H](C)S(=O)(=O)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 252478007 ZQYXUZBTWHNSMK-VBNZEHGJSA-N 334.441 2.542 30 50 EFEA O=S1(=O)CCC[C@@H](/N=C(/O)N2CCCC3(CCCCC3)CC2)C1 329825928 CDRRQOFEXACPNA-OAHLLOKOSA-N 342.505 2.914 30 50 EFEA N#CC1(NC(=O)CN2C[C@H]3CCC(=O)c4cccc2c43)CCCCC1 184795540 RVOJKJFMTJHQOO-CQSZACIVSA-N 337.423 2.909 30 50 EFEA Cc1cccc(N/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1 328640959 XRJXXEHKAQTLMZ-RDJZCZTQSA-N 325.416 2.804 30 50 EFEA CN1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@H](C#N)C1 225418924 CMDHVAMGZIGGNI-GFCCVEGCSA-N 331.725 2.639 30 50 EFEA CC(C)(O)C#Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)s1 1424359 JJHBNQOMNXNAKC-UHFFFAOYSA-N 329.377 2.852 30 50 EFEA Cc1ccc2c(c1)[C@H](NC(=O)N1CC(Oc3ccc(C#N)cc3)C1)CO2 153598397 IPNQTLGUIDPLBN-GOSISDBHSA-N 349.390 2.773 30 50 EFEA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1N=Cc1ccc(Cl)cc1 244795600 RJMHKOAACSZNAE-YZXKGSGOSA-N 326.783 2.727 30 50 EFEA C[C@H](NCc1ccc(C#CCO)s1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952969401 NBEHBWNQYHCPSE-XRQSOVCCSA-N 345.508 2.901 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(O)c1 19772405 RCDUYZIBSAJFDD-QGZVFWFLSA-N 343.379 2.542 30 50 EFEA Cc1cc(C)cc(N2CCN(Cc3cc(C#N)n(C)c3C)CC2=O)c1 72144679 XBALCIIBQYZBLA-UHFFFAOYSA-N 336.439 2.671 30 50 EFEA CCc1cc(C#N)ccc1NC(=O)NCCc1nc(C2CC2)no1 95512968 BDWCEKCVKTTYQW-UHFFFAOYSA-N 325.372 2.745 30 50 EFEA C#C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](O)CC[C@]5(C)[C@@H]3CC[C@]21C 253501921 ODMURDDTNPVMMD-YAOUEQLTSA-N 330.468 2.886 30 50 EFEA CCn1nccc1[C@@H]1OCC[C@H]1CNC1CCC(/N=C(/C)O)CC1 328628429 HFXMDHHSOUAJGC-MMIPBJDJSA-N 334.464 2.858 30 50 EFEA COC(=O)C[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccco1 217904799 HUGGNIBLSPRQAK-LBPRGKRZSA-N 326.304 2.818 30 50 EFEA biogenic CCc1ccc(-c2c(C#N)c(N)nc3c2c(=O)nc2sccn23)cc1 19933156 VXEUULCRIHRBSW-UHFFFAOYSA-N 347.403 2.987 30 50 EFEA C#CCCC1(CCNC(=O)COc2cccc3c2OC(C)(C)C3)N=N1 2325887278 AJERUEYJKBTGHD-UHFFFAOYSA-N 341.411 2.861 30 50 EFEA CCCCCCCCCCCC(=O)OC[C@@H](O)CS(=O)(=O)O 101022767 QSCVMVDOAMAIHJ-CQSZACIVSA-N 338.466 2.699 30 50 EFEA COc1nccc(Oc2ccccc2CN2CCN(C)CC2)c1C#N 67868170 XVXFUKSQWLMPLA-UHFFFAOYSA-N 338.411 2.502 30 50 EFEA COc1ccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)cc1OC 1429503 FFNBWZDFEKIMKM-CYBMUJFWSA-N 344.411 2.503 30 50 EFEA CCc1cnc(N2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)s1 332423246 APULGLFBCHZHPI-UHFFFAOYSA-N 344.415 2.679 30 50 EFEA Cc1cccc(S(=O)(=O)N[C@@]2(C#N)CC2(C)C)c1Br 290971504 QAJCFYDWJXLQQG-CYBMUJFWSA-N 343.246 2.728 30 50 EFEA CCCCN1CCn2nc(CNc3nc(C)cc(C)c3C#N)cc2C1 299795119 MFHPZJJZAWRDPN-UHFFFAOYSA-N 338.459 2.994 30 50 EFEA COc1ccc(C(=O)/C=C/c2ccc(OS(C)(=O)=O)cc2)cc1 5670380 YXPPMLLDRWMDSP-LFYBBSHMSA-N 332.377 2.930 30 50 EFEA CN(C)C[C@@H]1OCCN(C(=O)c2cccc(C#N)c2)[C@H]1c1ccccc1 1875247713 PCKJGTKIFKXHAH-PMACEKPBSA-N 349.434 2.702 30 50 EFEA N#Cc1ccc(NCCNC(=O)c2ccco2)c(Br)c1 122580866 AFBFYEXNJUUQNU-UHFFFAOYSA-N 334.173 2.756 30 50 EFEA CC(C)n1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1Cc1cc(C#N)c[nH]1 1875399094 OQDOZBPLXHLCLK-CVEARBPZSA-N 340.431 2.738 30 50 EFEA C#CCCC1(CCC(=O)N2CCN[C@@H](c3ccc(F)cc3)C2)N=N1 2325892382 LJTYFYKCFMTZAA-MRXNPFEDSA-N 328.391 2.654 30 50 EFEA COc1ccc(C(=O)NC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 170004329 DIJHHRXIRVXXOA-UHFFFAOYSA-N 333.237 2.523 30 50 EFEA Cc1ncc(N=C(O)N2CCC[C@H]2c2cnn(C)c2)c(C2CC2)n1 328588000 LKHGMZQHBTVHEB-HNNXBMFYSA-N 326.404 2.779 30 50 EFEA O/C(=N/[C@@H]1CCCN(c2nccnc2O)C1)c1cccc2[nH]ccc12 328650689 VSAYRDINSAUUFY-GFCCVEGCSA-N 337.383 2.637 30 50 EFEA O=S1(=O)CCC[C@H](C/C(O)=N/[C@@H]2CCOc3c(F)cccc32)C1 328855911 UCIKNQHHLMTORZ-BXUZGUMPSA-N 341.404 2.821 30 50 EFEA Cn1cc(CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1C#N 72463842 VDEDTXYJQBLVQD-UHFFFAOYSA-N 338.499 2.983 30 50 EFEA OCCC#Cc1ccc(CN2CCCN(Cc3ccncc3)CC2)cc1 952982446 HJBQYQSVMHPCPZ-UHFFFAOYSA-N 349.478 2.523 30 50 EFEA C=CCNC(=O)[C@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 248983311 FYONQJIRNBDILG-VQISRLSMSA-N 326.799 2.589 30 50 EFEA N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1cc(F)cc(Cl)c1 164256126 INTPECLZOBCCIM-UHFFFAOYSA-N 349.749 2.953 30 50 EFEA C=CCn1cc(CN2CCO[C@@H](c3ccc(OC)cc3)C2)c(C)n1 55242152 YPJFTHXQHNFHPI-LJQANCHMSA-N 327.428 2.960 30 50 EFEA CCOC(=O)C(F)(F)c1ccccc1B1OC(C)(C)C(C)(C)O1 170006389 SIKHWOMDBLUAAH-UHFFFAOYSA-N 326.148 2.641 30 50 EFEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/C(O)=N/CCc1ccccn1 328611099 KINRRNAMJCJDNX-RDJZCZTQSA-N 328.416 2.709 30 50 EFEA Cc1ncsc1N=C(O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 329443171 BUFXUTFURNVONX-KGLIPLIRSA-N 331.397 2.638 30 50 EFEA N#Cc1ccc(N[C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)nc1 72167119 VVQIXXQNGPZPBA-MRXNPFEDSA-N 340.814 2.862 30 50 EFEA CN(C)c1ccc(N[C@@H]2CCCN(c3ccncc3C#N)CC2)cn1 367431449 WBUBJTIRKMZYDW-MRXNPFEDSA-N 336.443 2.885 30 50 EFEA COc1cccc([C@H]2C[C@H](O)CN2Cc2cc(C#N)ccc2OC)c1 337407891 NOLRZZGVQYYKDD-PKOBYXMFSA-N 338.407 2.883 30 50 EFEA CC(C)(C)OC(=O)N1C[C@H](B2OC(C)(C)C(C)(C)O2)C[C@@H]1C(=O)O 575629500 DZJGGDUDPBDRSU-GHMZBOCLSA-N 341.213 2.543 30 50 EFEA OCC#Cc1csc(CN(Cc2ccc3c(c2)OCO3)C2CC2)c1 828644175 DKHNAUAOOYRORV-UHFFFAOYSA-N 341.432 2.985 30 50 EFEA C=C(C)COc1cc(CN[C@H](CCSC)C(=O)O)ccc1OC 170612803 WHGCNQGCGMRUOK-CQSZACIVSA-N 339.457 2.946 30 50 EFEA CCc1cc(C(=O)N=c2cc[nH]cc2C#N)c2c(C(C)C)noc2n1 330031935 GJMBVDKBEUQTCM-UHFFFAOYSA-N 335.367 2.849 30 50 EFEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)C(=O)Nc1cc(C)on1 55100329 GHNFQNFZGSIPOG-GJZGRUSLSA-N 329.400 2.990 30 50 EFEA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2/N=C(/O)Cc2ccoc2)nn1 328605402 NFYDEOBAEOMTIF-UONOGXRCSA-N 332.404 2.781 30 50 EFEA CC[C@]1(CO)CCCN1CC(=O)Nc1sc2c(c1C#N)CCCC2 170603285 RPYLWDGSBQZTGX-GOSISDBHSA-N 347.484 2.674 30 50 EFEA CC#CCNC(=O)Nc1cc(OC)c(Br)c(OC)c1 170604297 YPOUXSYLALXPAZ-UHFFFAOYSA-N 327.178 2.611 30 50 EFEA COc1cc(/C=N/Nc2nnc3c(n2)[nH]c2ccc(C)cc23)ccc1O 4321936 SLDDFMHVKHONPM-DJKKODMXSA-N 348.366 2.975 30 50 EFEA N#Cc1cccc2c1CCCN2C(=O)Cn1ccc(C(F)(F)F)n1 1773524931 GCFHXRLYSJIZGY-UHFFFAOYSA-N 334.301 2.753 30 50 EFEA C#CCCC1(CCNC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)N=N1 2325887407 OPOQEHIQUYCGRV-UHFFFAOYSA-N 348.410 2.840 30 50 EFEA N#Cc1ccc(CCC(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)cc1 348254815 GDXNLZVZCBTALP-MOPGFXCFSA-N 338.382 2.964 30 50 EFEA C=CCS(=O)(=O)N1CCC[C@@H](C(=O)c2ccccc2SC)C1 23145649 JRDYYMPDXJIWKW-CYBMUJFWSA-N 339.482 2.819 30 50 EFEA CCn1cc([C@H]2OCC[C@@H]2/N=C(/O)[C@@H]2C[C@H]2c2cccnc2)cn1 328631867 RLWCAJXVPDWMIW-VVLHAWIVSA-N 326.400 2.888 30 50 EFEA C=CCc1cc(CNc2ncnc3nn(C)cc23)cc(OC)c1OC 119237189 NZMWYPDUOSRWLE-UHFFFAOYSA-N 339.399 2.721 30 50 EFEA Cn1nccc1[C@@H]1OCCC[C@H]1/C(O)=N/[C@@H](CO)c1ccsc1 329406626 ZLQYNPRZTXIFMH-VNHYZAJKSA-N 335.429 2.639 30 50 EFEA C=CCn1c(SCc2scnc2C)nnc1C1CCNCC1 426493210 PMCNIBYZVLMNJC-UHFFFAOYSA-N 335.502 2.988 30 50 EFEA CO[C@@H]1[C@H](C)[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1(C)C 170591826 JMBCIDVLICXACS-BIGNPOOSSA-N 342.848 2.549 30 50 EFEA C#CCCC1(CCC(=O)NCc2ccnc(N3CCCC3)c2)N=N1 952880035 CYNPHWOORYLGGE-UHFFFAOYSA-N 325.416 2.654 30 50 EFEA CC(C)(C)NS(=O)(=O)C1(CNc2cccc(F)c2C#N)CCC1 1434450393 LBDZFZHERWVMSY-UHFFFAOYSA-N 339.436 2.750 30 50 EFEA C=CCO/N=C(\CCC)C1=C(NC)CC(C)(C)[C@H](C(=O)OC)C1=O 100319341 WIPMKZYRWQSAJZ-SLDJAQPHSA-N 336.432 2.607 30 50 EFEA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@H]2c1ccc(Cl)cc1 101773872 CGHDKDJSZUBWGM-FMSQNYNMSA-N 347.798 2.596 30 50 EFEA COc1cccc(C[C@@H]2CN(C(=O)c3ccccc3C#N)CCO2)c1 71753538 BIDMPVMNURKJSZ-GOSISDBHSA-N 336.391 2.651 30 50 EFEA N#Cc1c(N)nc2c(c1-c1c(Cl)ccc(O)c1Cl)CNCC2 72172446 ITJVZALDYOLYEO-UHFFFAOYSA-N 335.194 2.861 30 50 EFEA C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1 12343819 NVFFDRWLXUSRPX-UHFFFAOYSA-N 334.372 2.542 30 50 EFEA Cc1nnc(Cn2nnc(/C(O)=N/CC3(CC(C)C)CCC3)c2C)o1 328600699 YZWPKBOPHLZFEU-UHFFFAOYSA-N 346.435 2.847 30 50 EFEA COc1ccc(OC)c([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)c1 4488863 USQRMWIJCUZORL-ZDUSSCGKSA-N 329.396 2.951 30 50 EFEA C=CCn1c(=O)c(C(=O)NCc2ccccc2)c(O)c2ccccc21 100511412 KYKZEHUYRVIBEW-UHFFFAOYSA-N 334.375 2.823 30 50 EFEA C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 239358456 NIVUXOQOVIGZAB-XDQVBPFNSA-N 336.439 2.900 30 50 EFEA C=CCn1c(SCc2cc(OC)ccn2)nnc1C1CCNCC1 426383427 XMEOERILRWVQOE-UHFFFAOYSA-N 345.472 2.627 30 50 EFEA N#Cc1cccc(CN2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)c1 91536009 DTQNVBYICKSRLR-UYAOXDASSA-N 325.456 2.633 30 50 EFEA CO[C@@H]1C[C@H](c2nnc(C)o2)N(c2ccc3cc(C#N)ccc3n2)C1 779874416 PMYOPVWGWOHEGQ-GDBMZVCRSA-N 335.367 2.764 30 50 EFEA N#Cc1ncn(CCCN2CCC(Cc3ccccc3)CC2)c1C#N 952993551 IMVVIVKDAKSMSO-UHFFFAOYSA-N 333.439 2.971 30 50 EFEA CC(C)[C@@]1(C(=O)O)C[C@H]1C(=O)NC(C)(C)Cc1ccc(C#N)cc1 899834799 LDIZCMIHDANSED-KXBFYZLASA-N 328.412 2.742 30 50 EFEA COc1cc(/C=N/n2cnnc2)ccc1OCCOc1ccccc1 2992260 WDILFMOJYFMFBR-CIAFOILYSA-N 338.367 2.627 30 50 EFEA O=C1N/C(=N\N=C\c2cccc([N+](=O)[O-])c2)S[C@@H]1c1ccccc1 6864446 CEESHTXCKMMXKD-NGWPFTMJSA-N 340.364 2.889 30 50 EFEA C#CCOc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1 8570527 JUVRDXANRCYRLS-UHFFFAOYSA-N 333.347 2.679 30 50 EFEA CC(C)Oc1ncccc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 225462266 MRONDZIHYKPUFY-UHFFFAOYSA-N 348.366 2.573 30 50 EFEA CCOc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1[N+](=O)[O-] 170006515 KRZNQOXDXGGQQV-UHFFFAOYSA-N 327.573 2.946 30 50 EFEA CN(C)/C(N)=N/Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 170913161 SMLBHHQLWKRYGY-UHFFFAOYSA-N 333.439 2.975 30 50 EFEA O=C1C[C@H](CC(O)=Nc2cnc3c(Br)cccn23)CO1 328591735 CHJALZGMYAUXSW-QMMMGPOBSA-N 338.161 2.638 30 50 EFEA CN1C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)c2ccccc2C1=O 365967474 WQVQXCJQJXKKOY-MRXNPFEDSA-N 327.428 2.644 30 50 EFEA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1c[nH]c2ccccc12 245226762 KHLAISZHHLNBQU-VAJWHRCDSA-N 331.375 2.555 30 50 EFEA C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H]1CC[C@@]21OCC1=O 257356877 KVTUNQQLGNXYMG-GYKIMFSQSA-N 344.451 2.827 30 50 EFEA C#CCNC(=O)Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1 170606739 XDSKZRCZSVFYQT-UHFFFAOYSA-N 347.374 2.608 30 50 EFEA Cc1noc([C@@H](/N=C(/O)c2cccc(C#N)c2)C2CCOCC2)n1 328614462 WESFQGNDRILULD-HNNXBMFYSA-N 326.356 2.722 30 50 EFEA CCn1cc([C@@H]2OCC[C@H]2CNc2c(C#N)nnc3ccccc23)cn1 886082319 XHQXHSCDIAWTNT-ORAYPTAESA-N 348.410 2.908 30 50 EFEA C#CCCC1(CCC(=O)N2CCC[C@H]2C(=O)c2ccc(O)cc2)N=N1 2325893500 UQIVXARTWKCSJV-INIZCTEOSA-N 339.395 2.922 30 50 EFEA COC(=O)CCC/C=C1/SC[C@H](NC(=O)c2ccccc2)/C1=N\O 4996217 CLTIGQMRSNRISD-CQNHVSMDSA-N 348.424 2.589 30 50 EFEA C=C(C)COc1ccc(C(=O)N[C@H](CC(=O)O)C(F)(F)F)cc1 63884833 YKUQEXFSTDNKGT-GFCCVEGCSA-N 331.290 2.777 30 50 EFEA Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 253396263 MWEMXCPTSIFYQE-GVDBMIGSSA-N 348.468 2.571 30 50 EFEA C#C[C@@H](NC(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1)C(C)C 253428209 IHNRWHKBGZBBDV-TZMCWYRMSA-N 342.399 2.763 30 50 EFEA COCCC[C@@]1(CO)CCCN(c2nc3c(cc2C#N)CCCC3)C1 92081880 CUKXHHLNFIADHC-FQEVSTJZSA-N 343.471 2.838 30 50 EFEA COc1ccc(CN[C@@H]2CCN(C(=O)Cc3ccccc3)C2)cc1C#N 370265574 IRHILSPEZPAFHH-LJQANCHMSA-N 349.434 2.500 30 50 EFEA Cc1cnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)nc1C 277779266 FKHHNJKJBTYXFJ-UHFFFAOYSA-N 327.819 2.945 30 50 EFEA Cn1cc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1C#N 191346760 PRFHAKTUACXLLK-LJQANCHMSA-N 327.403 2.981 30 50 EFEA C=CCNC(=O)[C@@H]1CC(=O)c2sc(NC(=O)C[C@H](C)CC)nc2C1 14987826 ZPWQSAMLONNIBB-MNOVXSKESA-N 349.456 2.565 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OC)c1 19639986 MYSSDDDYYXEMGX-QGZVFWFLSA-N 327.380 2.836 30 50 EFEA CC1(NC(O)=Nc2ccnc(OCC(F)(F)F)c2)CCOCC1 330687702 CIQBZERHTWUYTI-UHFFFAOYSA-N 333.310 2.727 30 50 EFEA C=CC(=O)N(C)c1ccc(C(=O)NCCc2ccc(C#N)cc2C)cc1 1875373533 DWDBXNJMLZFHDE-UHFFFAOYSA-N 347.418 2.988 30 50 EFEA O=c1cc(/C(O)=N/c2nnc([C@@H]3CCCO3)s2)c2ccccc2[nH]1 31811310 XNQHPJZOFIUJIK-LBPRGKRZSA-N 342.380 2.867 30 50 EFEA N#Cc1nccnc1NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O 253432593 LNVWIHYOPJCHJQ-FUHWJXTLSA-N 326.375 2.673 30 50 EFEA COc1cccc([C@@H]2C[C@H](O)CN2CCOc2ccc(C#N)cc2)c1 282333578 UWINNGHRTKQAPO-PXNSSMCTSA-N 338.407 2.754 30 50 EFEA Cn1nccc1[C@H]1[C@H](CNc2ccc(C#N)nc2)CCCN1C1CC1 285051847 WQJWGXVVRJYWST-IFXJQAMLSA-N 336.443 2.714 30 50 EFEA N#Cc1ccc(N2CCC(c3nccn3Cc3ccncc3)CC2)nc1 91380956 DFTXFCIFQZYZMK-UHFFFAOYSA-N 344.422 2.977 30 50 EFEA C[C@]1(C(F)(F)F)C[C@@](O)(C(F)(F)F)C[C@](O)(C(F)(F)F)O1 100045358 ZHZPKMZKYBQGKG-NGJCXOISSA-N 336.150 2.662 30 50 EFEA in-vitro Cc1n[nH]c([C@@H]2CN(c3ccc(C#N)cc3C(F)(F)F)CCO2)n1 170023810 NYIFMANLEVABMV-ZDUSSCGKSA-N 337.305 2.582 30 50 EFEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccncc1Br 331241902 PDYOQKDPJBCWJY-ZWNOBZJWSA-N 325.206 2.555 30 50 EFEA O/C(CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2)=N/C1CCOCC1 328631143 KCPYDVWESMOPLQ-MRXNPFEDSA-N 332.448 2.561 30 50 EFEA C=CCOC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1OC 2910708 BRJZKMUKHYCUCS-NTCAYCPXSA-N 327.336 2.788 30 50 EFEA CC[C@H](Oc1ccccc1)C(=O)O/N=C(\N)c1ccc([N+](=O)[O-])cc1 4985803 XTELUXQGHYWCDN-HNNXBMFYSA-N 343.339 2.616 30 50 EFEA CCCCOCC(=O)NC1CCC(Oc2ncccc2C#N)CC1 438634721 ZIUPSXURJVFQBO-UHFFFAOYSA-N 331.416 2.576 30 50 EFEA C=CCc1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccncc3)C2)cc1 91624807 MHYPWLKLMIZCBI-ZWKOTPCHSA-N 336.391 2.751 30 50 EFEA CNC(=O)c1ccn([C@@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)n1 276095402 UUDMIEHUZFIGKH-RHSMWYFYSA-N 337.427 2.512 30 50 EFEA C#CCCC1(CCC(=O)NCc2ccnc(OCC3CC3)c2)N=N1 2325892164 CLDBLCCIYUYPER-UHFFFAOYSA-N 326.400 2.842 30 50 EFEA C=CCNc1ccccc1C(=O)N1CCC(Nc2ncccn2)CC1 65395874 IDZJCSUNJDEKFY-UHFFFAOYSA-N 337.427 2.791 30 50 EFEA Cc1nccn1[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 242273451 YCVMLBDAGKAGSZ-NVXWUHKLSA-N 343.475 2.560 30 50 EFEA O=C(ON1C(=O)CCC1=O)c1ccc2noc(-c3ccccc3)c2c1 135903372 VUACWHNUYXCZEL-UHFFFAOYSA-N 336.303 2.716 30 50 EFEA N#CC1(C#N)[C@@H](c2cccnc2)O[C@@]23CCCC[C@H]2[C@@]1(C#N)C(=N)O3 208159913 TUNJAGRBRMZMRP-IHETXDGRSA-N 333.351 2.590 30 50 EFEA Cc1noc([C@@H](/N=C(/O)c2cc(C(C)C)on2)C2CCOCC2)n1 328614640 WMMXDPLCHUKDDO-AWEZNQCLSA-N 334.376 2.962 30 50 EFEA CC(C)n1cc([C@H]2OCC[C@@H]2NCCOc2ccccc2C#N)cn1 1775959793 YEQWBVUUIRLYDW-PKOBYXMFSA-N 340.427 2.834 30 50 EFEA Cc1ccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)CCC3)cc1Cl 100257103 XKSGQTDNRFYCDY-LLVKDONJSA-N 332.787 2.730 30 50 EFEA C=CCn1cc(CN[C@@H](C)C(=O)Nc2ccc(F)cc2C)c(C)n1 55182598 SXJNIOXYWCHDNE-AWEZNQCLSA-N 330.407 2.942 30 50 EFEA C[C@@H]1CC[C@H](/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)O1 328632752 SCMKVFCALGVKCT-GMTAPVOTSA-N 331.338 2.988 30 50 EFEA Cc1nc(CN(C)[C@@H]2CCCN(Cc3cccc(C#N)c3)CC2)no1 328625122 CTJODLQZGGGWGD-GOSISDBHSA-N 339.443 2.736 30 50 EFEA CC(=O)c1c(F)cccc1N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 240412639 FNNBDJRPLTXWPC-ZUOKHONESA-N 349.365 2.878 30 50 EFEA CN1CCC[C@H](/N=C(/O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1=O 331093847 KAQUIJUFFCAYIK-JTQLQIEISA-N 346.353 2.582 30 50 EFEA CN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)c1cc(C#N)cn1C 216101330 GNEPSTCVTGQMPS-UHFFFAOYSA-N 337.358 2.698 30 50 EFEA CCOC(=O)c1ccc2c(c1)N(C(=O)c1cc(C#N)cs1)CCO2 192362710 ZJSWSCMVUGVPDK-UHFFFAOYSA-N 342.376 2.836 30 50 EFEA CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(C2(C#N)CCOCC2)n1 769891233 SNIFUOLKOCHRNL-LBPRGKRZSA-N 348.403 2.713 30 50 EFEA C=CCNC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 12587030 MJGXMSATKCHNOP-IBGZPJMESA-N 345.418 2.536 30 50 EFEA C=CCN[C@@H](NC(=O)c1ccc(OC)cc1)C(Cl)(Cl)Cl 19315525 MVZLSDVNNNRZRJ-LBPRGKRZSA-N 337.634 2.897 30 50 EFEA C[C@H](CC#N)NC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 368691172 AKPPZFBOPSBOKB-QMTHXVAHSA-N 349.353 2.594 30 50 EFEA N/C(=N\OC(=O)Cc1ccccc1)c1cccc(Br)c1 4832852 WPEQRKAXCBGKKF-UHFFFAOYSA-N 333.185 2.855 30 50 EFEA C=CCN1CC[C@@H](N(C)C(=O)c2cc3c(s2)CC[C@@H](C)C3)C1=O 225594842 JUYNFOVSXSOTMC-TZMCWYRMSA-N 332.469 2.732 30 50 EFEA C#C[C@@H](NC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)C(C)C 252485206 GPCFKSTZQAHBAH-QZTJIDSGSA-N 345.418 2.576 30 50 EFEA Cn1cc(-c2cc(-c3cc(C(=O)O)cs3)nc(N)c2C#N)cc1C#N 71775496 VOUKAPZLNMVBSK-UHFFFAOYSA-N 349.375 2.839 30 50 EFEA CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc(C#N)ccc1Cl 286491054 ICCUJHNPBZOYSB-UKRRQHHQSA-N 333.819 2.635 30 50 EFEA C=C(C)COc1cccc(NC(=O)N(C)CC2(CO)CCOCC2)c1 96149765 GJAZZTTYYZIQTO-UHFFFAOYSA-N 348.443 2.894 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 19314992 QRWZBUQJFCIWHJ-INIZCTEOSA-N 342.351 2.736 30 50 EFEA O=C(C/N=C(/O)CC1CCCC1)N1CC[C@@H](Oc2ccccn2)C1 330046806 HGZNKWWKBSWLQI-OAHLLOKOSA-N 331.416 2.598 30 50 EFEA CN1C(=O)C[C@H](C(=O)O)S/C1=N/c1cccc(C(F)(F)F)c1 12417088 YFUCTAGBQAOWKN-OTIXUJTRSA-N 332.303 2.741 30 50 EFEA COc1cc(/C=C/C(=O)c2c(C)cc(C)[nH]c2=O)cc(OC)c1OC 4955559 OBVDIEBMUGAVFE-VOTSOKGWSA-N 343.379 2.914 30 50 EFEA Cc1c(C#N)c2ccccc2n1CC(=O)Nc1cnc2n1CCCC2 67974985 JHWGBSJQJFLJDQ-UHFFFAOYSA-N 333.395 2.993 30 50 EFEA Nc1nc(C(F)(F)F)cc(=O)n1/N=C/c1ccc2ccccc2c1 6943154 UUEJKPRUYKYSTJ-ZVBGSRNCSA-N 332.285 2.880 30 50 EFEA CC1(C)CCN(C/C(O)=N/Cc2cccc(CN3CCCC3=O)c2)C1 328600129 VSPSWPIAANNYDO-UHFFFAOYSA-N 343.471 2.997 30 50 EFEA N#Cc1c(-c2ccc(C#CCCO)cc2)cc(-c2cc[nH]c2)nc1N 71613807 ARTQWUIGJNZKMY-UHFFFAOYSA-N 328.375 2.931 30 50 EFEA C=CCN1CC[C@@H](CNC(=O)c2ccc(Cl)cc2NC(=O)CC)C1 952961042 BGKSWSXKEMSNKD-ZDUSSCGKSA-N 349.862 2.926 30 50 EFEA N#Cc1c(F)cccc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 187449697 VMBBXQYCYBWJQE-GFCCVEGCSA-N 339.374 2.713 30 50 EFEA C#CCCC1(CCC(=O)N(Cc2ccccc2)Cc2cnn[nH]2)N=N1 2325892468 OIMVIIYZPGEOGP-UHFFFAOYSA-N 336.399 2.689 30 50 EFEA N#CC1(C#N)[C@H](C(=O)c2ccc(Cl)cc2)[C@@]12CC[C@H]1CO[C@H]2O1 100249584 YBGTXIWVFNFQLD-NZUILWFCSA-N 328.755 2.708 30 50 EFEA biogenic CC(=O)NCc1ccc([C@H]2CCCN2c2nnc(C)c(C)c2C#N)o1 253417631 AZUHYMXWJMZPGY-MRXNPFEDSA-N 339.399 2.536 30 50 EFEA N#Cc1cccc(CNC(=O)N2CCO[C@H](c3cccs3)C2)c1 156124540 CAMKCXXKTSFAHL-HNNXBMFYSA-N 327.409 2.903 30 50 EFEA Cc1c(CN2CCCC[C@H]2CCN2CCCC2=O)cc(C#N)n1C 77343509 OMOHFSRIAAUTIR-KRWDZBQOSA-N 328.460 2.572 30 50 EFEA Cc1cc2nc(N/C(N)=N/C(=O)c3ccccc3N)nc(C)c2cc1C 4123519 COLRZVJPBLBBAX-UHFFFAOYSA-N 348.410 2.704 30 50 EFEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(CCC#N)CC3CCCC3)n[nH]c21 1857528573 FTFYFIZLVLNMIQ-OLZOCXBDSA-N 330.432 2.978 30 50 EFEA N#Cc1c(F)cccc1N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 818144453 GCZCPYHWEKHQDD-SFHVURJKSA-N 342.374 2.532 30 50 EFEA C#CCCC1(CCNC(=O)CC[C@@H]2[C@H](C)Nc3ccnn3[C@@H]2C)N=N1 2325891587 PJULODNEJKYPJS-RRFJBIMHSA-N 342.447 2.736 30 50 EFEA O=C1CCCC2=C1[C@@H](c1ccccc1OC(F)F)n1ncnc1N2 223044 IVCGVCTZDOQZAF-CQSZACIVSA-N 332.310 2.902 30 50 EFEA C=CCOc1ccccc1CN1C(=O)[C@H](NC(C)=O)c2ccccc21 8047389 DFMCGIZABRIKBP-LJQANCHMSA-N 336.391 2.975 30 50 EFEA C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1C(=O)N(C)Cc1ccc(C#N)cc1 248038086 JVBBQHHWTZDHCA-OLMNPRSZSA-N 339.439 2.554 30 50 EFEA COCCN(CCC#N)C(=O)c1cc(C)cc(Br)c1 124254298 NGRQAWOCSSOYKS-UHFFFAOYSA-N 325.206 2.760 30 50 EFEA CC#CC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 252494150 NMGMNXHAHIQBFR-INIZCTEOSA-N 334.847 2.631 30 50 EFEA COc1ccc(/C=N/n2c(SC)nnc2C(F)F)c(OC)c1 2790164 DTNAPUNDUBIDNA-FRKPEAEDSA-N 328.344 2.837 30 50 EFEA C=CCn1c(CN2CCC[C@H](N3CCCC3=O)C2)nc2ccccc21 71714768 TWOJIAVPQKGEBI-INIZCTEOSA-N 338.455 2.809 30 50 EFEA CC[C@H](C#N)NC(=O)c1cccc(I)c1C 151930062 XRVUBXNRIXVXFS-SECBINFHSA-N 328.153 2.632 30 50 EFEA CSCCCN1C(=O)CC[C@H]2CN(c3cccc(C#N)n3)CC[C@H]21 72473865 WLWRWDQXJIGYML-GOEBONIOSA-N 344.484 2.524 30 50 EFEA CC(C)(C)c1ccc(S(=O)(=O)N/N=C\c2cccc(O)c2O)cc1 17072385 USLNQJPMZGFUOO-WQRHYEAKSA-N 348.424 2.708 30 50 EFEA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(c2cccc(F)c2C#N)C1 284450688 CPORXLFRFGUBJI-ABAIWWIYSA-N 327.363 2.659 30 50 EFEA Cc1ccc([C@H]2C[C@H]2C(=O)NC2(C#N)CCC3(CC2)OCCO3)s1 169979433 ILJDPTPQNSXLGS-UONOGXRCSA-N 346.452 2.856 30 50 EFEA CSC[C@H](C)/N=C(/O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328631207 QPQIINMWLLEYJI-BPUTZDHNSA-N 336.505 2.672 30 50 EFEA Cc1cc2c(cc1C)[C@@H](C(=O)Nc1nc3n(c1C#N)CCS3)CO2 239359526 AEMDFZRYVRBIAN-LBPRGKRZSA-N 340.408 2.592 30 50 EFEA COC(=O)c1n[nH]cc1-c1cc(-c2cc(C)ccc2C)nc(N)c1C#N 67489888 FSVGQNQRRCCDCL-UHFFFAOYSA-N 347.378 2.996 30 50 EFEA CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 249723477 DWQGQZCNDFLGAB-MELADBBJSA-N 349.228 2.786 30 50 EFEA N#Cc1ccccc1C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 67695710 YIPRSNXZRFBFKU-OAHLLOKOSA-N 337.398 2.949 30 50 EFEA CCn1cc([C@H]2OCC[C@@H]2/N=C(/O)c2ccc3n[nH]cc3c2)cn1 328615992 BHBBZZMQYOACQC-JKSUJKDBSA-N 325.372 2.614 30 50 EFEA N#C[C@H](C1CCCCC1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccco2)CC1 252467599 VAUFEULEDWIHCC-FGTMMUONSA-N 341.455 3.000 30 50 EFEA N#Cc1cccc(NC(=O)N2CCCC[C@H]2CCN2CCCC2=O)c1 72152962 UXBBQGKQZQXSSF-KRWDZBQOSA-N 340.427 2.957 30 50 EFEA N#Cc1cc(C(=O)N2CCC[C@@H](Cn3cnc4ccccc43)C2)c[nH]1 372246975 IYGVVZDWTRUCMG-CQSZACIVSA-N 333.395 2.788 30 50 EFEA CCCn1ccc2ccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)cc21 132301134 FJYZAKFSANNKNX-ZDUSSCGKSA-N 326.400 2.750 30 50 EFEA COc1ccccc1CN1CCN(c2snc(C)c2C#N)CC1 288099972 WVDMWEXGXMZYJI-UHFFFAOYSA-N 328.441 2.654 30 50 EFEA C=CCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3cnn(C)c3)nc21 20604816 NITOQLRJRSCDQA-UHFFFAOYSA-N 349.366 2.978 30 50 EFEA C[C@H](NCc1cc(C#CCO)cs1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952973676 DGLPEMWPNAPGIJ-ONCAWUNNSA-N 345.508 2.901 30 50 EFEA C=CCn1nc(C)c(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)c1C 1565529714 SBGWIZROIZDNPR-MSOLQXFVSA-N 342.487 2.519 30 50 EFEA N#CC1(C#N)[C@@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@@H](c1ccncc1)O3 169685623 CVUIEDKBCHRKOC-MJSCVDMRSA-N 333.351 2.590 30 50 EFEA Cc1nc(C#N)c(=N)[nH]c1N[C@@H](C)c1nc2ccccc2n1C(F)F 1875256599 MQRUBESNHAEMBP-VIFPVBQESA-N 343.341 2.987 30 50 EFEA C#CCCC1(CCNC(=O)c2cccc(N=c3ccc(C)n[nH]3)c2)N=N1 2325891186 WOAGDFHKSZXKII-UHFFFAOYSA-N 348.410 2.646 30 50 EFEA C=C(C)COc1ccc(C(=O)N(C[C@@H]2CCC(=O)N2)C(C)C)cc1 55099275 DHBZDADIFQIKOF-INIZCTEOSA-N 330.428 2.771 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 100505975 QBZAIOYBFOFLSW-QGZVFWFLSA-N 326.396 2.859 30 50 EFEA biogenic N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[C@H]2C[C@H]3CC[C@H]2C3)cn1 245382567 KDLHSFAGRFJHNE-MPTYRVRUSA-N 345.468 2.933 30 50 EFEA COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc2c1OCCO2 122047692 BCELTUQFKWFYIP-GFCCVEGCSA-N 349.346 2.833 30 50 EFEA COc1ccc([C@H](C/N=C(\N)Nc2ccccn2)N2CCCC2)cc1 170906011 ZCABJRCBLIGGHL-KRWDZBQOSA-N 339.443 2.654 30 50 EFEA COC(=O)c1ccc(C(=O)O/N=C(\N)c2ccc(Cl)cc2)cc1 8378221 DDSPBRWPFMTFSR-UHFFFAOYSA-N 332.743 2.604 30 50 EFEA Cn1cc([C@@H](/N=C(/O)CCc2ccccn2)C2(CO)CCC2)cn1 328592117 AKKVHNKRFPUTOP-QGZVFWFLSA-N 328.416 2.608 30 50 EFEA COc1ccccc1O[C@@H]1CCCN(C(=O)c2ccc(C#N)nc2)C1 375965882 UGNIOSZTEZQBRU-MRXNPFEDSA-N 337.379 2.645 30 50 EFEA CC(C)C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 187579101 MQXUSARSKIRKCQ-MRXNPFEDSA-N 342.443 2.866 30 50 EFEA Cc1nn(C)cc1Cn1ccnc1-c1ccc(C#CC(C)(C)O)s1 67841490 QRYJKLZYMXMXKG-UHFFFAOYSA-N 340.452 2.824 30 50 EFEA Cc1ccnc(N=C(O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)c1 328626463 LSHYJURUEDRVSL-LBPRGKRZSA-N 331.376 2.515 30 50 EFEA Cc1cccn2c(=O)c3cc(C#N)c(=N)n(C4CCCCC4)c3nc12 100627828 YFISCVIGPMJDRD-UHFFFAOYSA-N 333.395 2.814 30 50 EFEA C=C(C)COc1ccccc1CN1CCN(C)C2(CCN(C)CC2)C1 67822059 JMBQCKWDVXPZDW-UHFFFAOYSA-N 343.515 2.853 30 50 EFEA N#CC1(CCCN2CC[C@@](O)(c3ccc(F)cc3)C2)CCOCC1 370535946 NVIOTOFOHXQONI-IBGZPJMESA-N 332.419 2.820 30 50 EFEA O=C1c2ccccc2C(=O)N1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 65081 SWNXBHDIPRDLIQ-CAOOACKPSA-N 329.699 2.878 30 50 EFEA N#CC1(C#N)[C@H](c2ccncc2)O[C@@]23CCCC[C@H]2[C@@]1(C#N)C(=N)O3 206002532 KPADPFKCWHSRJR-DFEHZGFQSA-N 333.351 2.590 30 50 EFEA CCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OC)c(OC)c1 1763115 LQRHLYPPOVBMIZ-MRXNPFEDSA-N 333.384 2.788 30 50 EFEA biogenic COc1ccc(C(=O)[C@]2(C)N(O)[C@@H](C)C(c3cccs3)=[N+]2[O-])cc1 4314864 TUHVFKNTNUSOMW-APPDUMDISA-N 346.408 2.749 30 50 EFEA Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)[C@@H]1CCCCCN1C 97323917 ZUVPQVCGYGYCCG-IBGZPJMESA-N 338.455 2.881 30 50 EFEA C/C(=N\Nc1nc(C)cc(=O)[nH]1)c1c(F)c(F)c(F)c(F)c1F 16513004 DKIFPYXLQMUNOS-IGCPIRJNSA-N 332.232 2.610 30 50 EFEA Oc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c(O)c1 19773090 XYFRFWBQKVHOQU-UDWIEESQSA-N 345.830 2.903 30 50 EFEA C#CCOc1ccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1 8570539 YJDMRYVBRQCVHQ-UHFFFAOYSA-N 347.374 2.987 30 50 EFEA COc1ccsc1/C(O)=N/[C@@H](c1nc(C)no1)C1CCOCC1 328612944 QFRIPPVKLMLMRL-GFCCVEGCSA-N 337.401 2.921 30 50 EFEA C/N=C(/O)N1CCC[C@@H]1c1ccccc1I 328587124 MJUOHPUTWSIGBC-LLVKDONJSA-N 330.169 2.972 30 50 EFEA N#Cc1ccnc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)c1 91656986 TWDWIMIWROESHA-QGZVFWFLSA-N 344.422 2.977 30 50 EFEA CC(C)c1nnc2n1CCN(C(=O)CCc1ccc(C#N)cc1)[C@H]2C 188793803 PAKWHVOGCLTGFZ-AWEZNQCLSA-N 337.427 2.809 30 50 EFEA CC(C)(C)c1ccc(OCC(=O)O/N=C(\N)c2ccncc2)cc1 4318721 KHRXQAGSQDBUSI-UHFFFAOYSA-N 327.384 2.622 30 50 EFEA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(O)=Nc1ccccn1 328639408 PLKJFICJHYPSHD-STQMWFEESA-N 349.435 2.628 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)N=N1 952879969 IKIWVUCANBLHLS-CYBMUJFWSA-N 345.834 2.786 30 50 EFEA C#CCCC1(CCC(=O)N(C)C[C@@H]2COc3ccccc3O2)N=N1 952879976 COEQQZMOQLJLOX-CQSZACIVSA-N 327.384 2.641 30 50 EFEA C=CCn1cc(Br)c(=NCc2ccnn2C2CCC2)[nH]1 2325763155 QVQZCLJMQMABBN-UHFFFAOYSA-N 336.237 2.787 30 50 EFEA N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)cn1 245382565 KDLHSFAGRFJHNE-JKQORVJESA-N 345.468 2.933 30 50 EFEA N#Cc1ccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)nc1 117206590 PXZLYUQQLCPBNX-UHFFFAOYSA-N 337.223 2.910 30 50 EFEA C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CCOc1ccccc1F 137599643 UEOSLYHVDIXVJV-HNNXBMFYSA-N 347.434 2.867 30 50 EFEA CCN(CC)CC[C@H](CO)/N=C(/O)[C@@H](C)Oc1ccc(OC)cc1 328591371 SAWLCVDBZKAPTN-HUUCEWRRSA-N 338.448 2.512 30 50 EFEA COc1cccnc1N=C(O)N1CCC[C@H]1C[C@@H](O)c1ccco1 328594674 ISGRERUYQLMQOI-QWHCGFSZSA-N 331.372 2.817 30 50 EFEA CC(=O)N(C1CCC1)[C@@H]1CCCN(C(O)=Nc2ccccn2)CC1 328652635 WNZMCEYQJLTWAG-MRXNPFEDSA-N 330.432 2.883 30 50 EFEA CC#CC(=O)N1CCC2(CC1)C[C@H]2N(Cc1ccsc1)C(C)=O 283722262 DKYXKPXTLJBNCG-MRXNPFEDSA-N 330.453 2.501 30 50 EFEA N#Cc1cccc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)n1 91693844 WXQFWLSZWLWBCR-KRWDZBQOSA-N 344.422 2.977 30 50 EFEA C=CCC1(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CCC1 170610899 CFWAGHFKKOZBCW-UHFFFAOYSA-N 326.318 2.905 30 50 EFEA COC(=O)c1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1 19771365 WNMSSHCEANHRFO-RCCKNPSSSA-N 337.423 2.625 30 50 EFEA CC1(C)OB(c2cccc(OCCO[C@H]3CCCCO3)c2)OC1(C)C 169984559 NKIILZHOZLXOFU-KRWDZBQOSA-N 348.248 2.908 30 50 EFEA C[C@@H](c1cccc(C#N)c1)N1CCN(C[C@H](O)CC(F)(F)F)CC1 225548502 QSIKRSFEJPYECE-XJKSGUPXSA-N 341.377 2.550 30 50 EFEA CC(C)(C)c1nnc(C/N=C(/O)N[C@@H]2CCO[C@H](C3CC3)C2)s1 328587361 GZMYLFSUSPMZNI-NEPJUHHUSA-N 338.477 2.797 30 50 EFEA C#CCCC1(CCNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C(C)C)N=N1 2325891388 CPMWDIIBKMYORN-GDBMZVCRSA-N 343.431 2.623 30 50 EFEA C#CCCC1(CCNC(=O)C[C@@H](c2nccn2C)C(F)(F)F)N=N1 2325891676 VHNLKLYMPIURFO-NSHDSACASA-N 341.337 2.538 30 50 EFEA Cc1ccn(Cc2cc(=O)oc3cc4c(cc23)CCC4)c(=O)c1C#N 163841010 RRONOMKVGAOTHF-UHFFFAOYSA-N 332.359 2.672 30 50 EFEA C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C(=O)NC1=S 242667 KQGOTTZLSNOMMC-UXBLZVDNSA-N 341.219 2.806 30 50 EFEA C/N=C(/O)c1cccc(CC/N=C(/O)N2C[C@H](C)O[C@H](C3CC3)C2)c1 328589029 YJFXTHODYSZSGH-GUYCJALGSA-N 345.443 2.577 30 50 EFEA Cc1oc(C#N)cc1C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 281013200 HNSAJPXYEQKLTJ-ZBEGNZNMSA-N 332.306 2.686 30 50 EFEA N#Cc1cccc(N2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)n1 217443962 FOQKOAYYCSMUMX-FQEVSTJZSA-N 345.406 2.642 30 50 EFEA CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc2ccccc2[nH]1 241837475 SKKYXWVUMGCCKQ-KRWDZBQOSA-N 328.372 2.763 30 50 EFEA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 190574254 AWKNZNSTKLRPJX-SFHVURJKSA-N 334.423 2.547 30 50 EFEA Cc1noc([C@@H](Nc2ncc(C#N)cc2Cl)C2CCOCC2)n1 328611829 MUNGGOHHGFBSJH-ZDUSSCGKSA-N 333.779 2.878 30 50 EFEA C/C(O)=N/[C@H](CC1CCC1)C(=O)N1CC2(CCOCC2)[C@@H]1C1CC1 329290725 IMPNJSKWHOWHCZ-SJORKVTESA-N 334.460 2.939 30 50 EFEA CCOc1ccc(C[N+]2C(=O)C(=NO)c3ccccc32)cc1OC 343516945 NLHIXSKUZWTJIL-UHFFFAOYSA-N 326.352 2.784 30 50 EFEA C#Cc1ccc(-c2nc(-c3ccc4oc(N(C)C)nc4c3)no2)nc1 762388603 ZXYZHKJVHRMOCL-UHFFFAOYSA-N 331.335 2.987 30 50 EFEA N#Cc1cnc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cn1 127432773 SRSFDKYZCZCFFN-HKUYNNGSSA-N 333.439 2.839 30 50 EFEA C=CCN(CC#Cc1ccccc1)C(=O)[C@H]1COc2ccccc2O1 55393726 APPPWHWORGYPDL-HXUWFJFHSA-N 333.387 2.893 30 50 EFEA CC(=O)Nc1ccccc1-c1nc2cc(C#N)c(C#N)cc2nc1O 9424703 IZDHFIWYZOXMFX-UHFFFAOYSA-N 329.319 2.704 30 50 EFEA Cc1cc(C(=O)NCc2ccco2)ccc1B1OC(C)(C)C(C)(C)O1 170004161 NYVLIMSSYQPHAR-UHFFFAOYSA-N 341.216 2.817 30 50 EFEA C=CCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)C(=O)NC1=S 225649632 CMDDWRGFXBELNW-VQHVLOKHSA-N 341.219 2.806 30 50 EFEA COc1cccc(/C=N/N2CCN(c3ccccc3OC)CC2)c1 445832 HGXOGRBXPZNIIT-HMMYKYKNSA-N 325.412 2.860 30 50 EFEA C#CCCC1(CCC(=O)N(C[C@@H]2CCCO2)c2ccncc2)N=N1 952880771 ICRIVBLKTALBLT-INIZCTEOSA-N 326.400 2.949 30 50 EFEA CC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Br)ccc1O 22590668 KDKFDEALJDDIIV-ZDUSSCGKSA-N 339.189 2.714 30 50 EFEA COc1cccc(C[C@]2(CO)CCCN(c3cccc(C#N)n3)C2)c1 71315038 DSNQRLNLQWTKMZ-HXUWFJFHSA-N 337.423 2.783 30 50 EFEA Cc1cc(C)c(C#N)c(N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)n1 77375033 SLLNEBDWDUVHJM-HXUWFJFHSA-N 338.455 2.942 30 50 EFEA CN(C)c1ccc([C@H](C#N)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 217404457 NRSULNRVANKMOG-VPWXQRGCSA-N 348.450 2.598 30 50 EFEA biogenic CC(C)(O)C#Cc1ccc(CN2CCC[C@H](c3ccncn3)C2)cc1 97730190 UFBOCMZICAHTEQ-IBGZPJMESA-N 335.451 2.979 30 50 EFEA COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O 35464 BKVIERAQXDUEEP-UDWIEESQSA-N 337.379 2.949 30 50 EFEA CCC[C@@H](C#N)NC(=O)[C@H]1Cc2ccccc2O[C@@H]1C(F)(F)F 1857528743 MMSWXMRQDHBTSU-OBJOEFQTSA-N 326.318 2.977 30 50 EFEA CCCc1n[nH]cc1/C(O)=N/C[C@@H]1CCN(C)[C@H]1c1cccnc1 328616204 BLLIMFLXPJWANK-YOEHRIQHSA-N 327.432 2.755 30 50 EFEA CC(C)(C)c1n[nH]cc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 367781983 SPNVVQDMWNEFBN-OAHLLOKOSA-N 325.416 2.627 30 50 EFEA CN(Cc1cc(O)n2ncc(C#N)c2n1)C[C@H]1CCc2ccccc2C1 2325798568 BNQAARHAPGSGRO-AWEZNQCLSA-N 347.422 2.543 30 50 EFEA COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC(C)(C)C 170004403 NFAUQHQUNYKZEY-UHFFFAOYSA-N 333.237 2.523 30 50 EFEA C=CCc1cccc(Cl)c1OCCOCCN1CCN(C)CC1 20653559 YWTGSIYASKYQDS-UHFFFAOYSA-N 338.879 2.711 30 50 EFEA N#Cc1c(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)cn2ccccc12 364433912 JVEWTXQHPGKLMD-NRFANRHFSA-N 342.402 2.907 30 50 EFEA N#CCc1cccc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 180150293 XCFHXBBHKXHZNC-YJBOKZPZSA-N 342.345 2.979 30 50 EFEA C=CC[C@]12C=C(OC)C(=O)[C@H](C1=O)[C@H](c1ccc(O)c(OC)c1)[C@H]2C 261493002 WDPDGHCWVZXPFP-GLRCHQFTSA-N 342.391 2.995 30 50 EFEA biogenic CN(Cc1nccs1)[C@H]1CC12CCN(c1ccc(C#N)cn1)CC2 275784185 SAPCREGDDWFZCE-HNNXBMFYSA-N 339.468 2.901 30 50 EFEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)c1cccc(N2CCNC2=O)c1 212857914 TYXOGZILLSGROA-HOCLYGCPSA-N 325.412 2.952 30 50 EFEA N#Cc1ccccc1CN1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1875245369 WTBIMNFZAPBJAI-NHCUHLMSSA-N 333.435 2.816 30 50 EFEA Cc1cc(CN=C2N[C@H]([C@H](O)c3ccccc3)[C@@H](C)N2)cc(C)c1O 1875349385 VLUZVXFMGJBPKJ-DKSSEZFCSA-N 339.439 2.549 30 50 EFEA N/C(=N/c1ccccc1)S[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 96316573 ANVRIWSJMGQPAF-CQSZACIVSA-N 343.383 2.837 30 50 EFEA COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1ccc(Cl)cc1 101773874 CGHDKDJSZUBWGM-LYSGOOTNSA-N 347.798 2.596 30 50 EFEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc2c(c1)OCCO2 71524000 FEAXKRNFKQLGQZ-UHFFFAOYSA-N 347.378 2.683 30 50 EFEA O=C(O)COc1ccc(/C=C2/COc3c(F)cccc3C2=O)cc1 377455396 KTJDFRLTLVACHE-WQLSENKSSA-N 328.295 2.948 30 50 EFEA N#Cc1ccc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cn1 267390412 NJPGZPJZCICTCG-SFHVURJKSA-N 326.375 2.578 30 50 EFEA C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1cccc(C(=O)N(C)C)c1 662084988 BTSQRRQEWBWGMV-CALCHBBNSA-N 327.428 2.510 30 50 EFEA N#CC1CN(C(=O)[C@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)C1 1857734708 NREWGXPFRMYSSN-LBPRGKRZSA-N 344.802 2.680 30 50 EFEA CCc1nc(SCC(=O)Nc2cc(C)cc(C)c2)[nH]c(=O)c1C#N 5238955 CBEVMJIVIVLDRV-UHFFFAOYSA-N 342.424 2.552 30 50 EFEA C[C@@H](NC(=O)[C@@]1(C#N)CCCNC1)c1ccc(C(F)(F)F)cc1 1875291776 LLJSSECIRVMKGZ-IAQYHMDHSA-N 325.334 2.776 30 50 EFEA CC[C@H]1CCCC[C@@H]1NC(=O)NS(=O)(=O)c1ccccc1C#N 1875328501 VRACUGGZYXMCQU-JSGCOSHPSA-N 335.429 2.515 30 50 EFEA Cc1nc2n(n1)[C@H](c1ccncc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 7496454 VWGDRESWAQKHQB-FZKQIMNGSA-N 347.378 2.990 30 50 EFEA COc1cccnc1N=C(O)N1CCC[C@@H]1C[C@H](O)c1ccco1 328594673 ISGRERUYQLMQOI-OLZOCXBDSA-N 331.372 2.817 30 50 EFEA Cc1cc(C(=O)N2CC(=O)N(c3ccccc3C#N)C[C@@H]2C)cs1 82160717 MFHYMDQAKXXEMU-LBPRGKRZSA-N 339.420 2.806 30 50 EFEA O=C(CC1=C(c2ccccc2)CCC1=O)NCc1cnn2cccnc12 426734221 CELOWOJKNAIUSV-UHFFFAOYSA-N 346.390 2.552 30 50 EFEA C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]21OCC1=O 257357984 RCHAJOCTTNTLHW-LRIWQSHXSA-N 342.435 2.603 30 50 EFEA CC(C)(C)OC(=O)N1C[C@H](B2OC(C)(C)C(C)(C)O2)C[C@H]1C(=O)O 575629501 DZJGGDUDPBDRSU-MNOVXSKESA-N 341.213 2.543 30 50 EFEA CN(CCc1nc2ccc(Cl)cc2[nH]1)C(=O)c1cc(C#N)c[nH]1 952983173 ISRGLAFWJZCDDK-UHFFFAOYSA-N 327.775 2.731 30 50 EFEA CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)CC#N)C1 408520061 WMCYEZSBMDVGBB-LSDHHAIUSA-N 335.448 2.928 30 50 EFEA Cc1ncsc1CN(C)C[C@@H]1CCN(c2ccc(C#N)cn2)C1 190445427 BLRDISBWOXPGDS-HNNXBMFYSA-N 327.457 2.677 30 50 EFEA Cc1cc(NC(=O)c2ccnc(C#N)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 193091466 JOQVXQQHBTULJQ-UHFFFAOYSA-N 348.322 2.608 30 50 EFEA COC(=O)[C@@H]1C[C@H](O)CCN1Cc1ccccc1C#Cc1ccccc1 209814095 YKEDYXNHOZCCMK-RTWAWAEBSA-N 349.430 2.585 30 50 EFEA O=C(/C=[N+](\[O-])[C@H]1CCC/C1=N/O)c1ccc(Br)cc1 15768199 FNFRELLIMRSRID-JBJIHDBLSA-N 325.162 2.596 30 50 EFEA N#Cc1cccc([C@H]2CN(Cc3nnc(C4CC4)n3C3CC3)CCO2)c1 364637204 YAHNVZQBEJEARI-GOSISDBHSA-N 349.438 2.936 30 50 EFEA C#CCCC1(CCC(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)N=N1 1875288807 FAOPLMASGQYEIR-DOTOQJQBSA-N 328.416 2.796 30 50 EFEA C=C(CN1CCC2(CC1)C[C@H]2N(Cc1ccsc1)C(C)=O)C(=O)O 2325851505 AKDMBPORHAZKMZ-MRXNPFEDSA-N 348.468 2.592 30 50 EFEA COc1ccccc1/C=N/N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 4795971 RZGCWBGFAPBQBK-HNMKQIAWSA-N 344.436 2.723 30 50 EFEA N#CCOc1cccc(CC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 225620120 QMSBNXLTKHTVJZ-QRVBRYPASA-N 342.439 2.674 30 50 EFEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1cnc(C(C)C)nc1 71750274 ZKNRHSWTLIPNOV-UHFFFAOYSA-N 333.399 2.825 30 50 EFEA CCCN1CCCn2nc(CNc3nc(C)cc(C)c3C#N)cc2C1 82087386 YBOKWVRMWKDAJC-UHFFFAOYSA-N 338.459 2.994 30 50 EFEA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 257356761 KDHBHXVDYRGRDL-JRYMICSMSA-N 346.467 2.665 30 50 EFEA CCOc1ccc(NC(=O)N2CCCN3CCC[C@H]3C2)cc1C#N 299791379 DYRUYIQOAJLQGA-INIZCTEOSA-N 328.416 2.659 30 50 EFEA COC(=O)c1cscc1N=C(O)N1CCC[C@@H](OCC2CC2)C1 328587938 KECUUHUZELWCHZ-GFCCVEGCSA-N 338.429 2.971 30 50 EFEA Cc1ccc(N/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)nc1 328641375 XVHPBQJJVBGTCB-RDJZCZTQSA-N 325.416 2.804 30 50 EFEA C#CCCC1(CCNC(=O)[C@H]2[C@H]3C[C@@]2(c2ccccc2C)CO3)N=N1 1875381766 HHWHSAVFEWRJJK-LMMKCTJWSA-N 337.423 2.733 30 50 EFEA COc1ccccc1-n1nnc(C(=O)Nc2ccccc2C#N)c1C 4511662 QDCCOIZVIYHMGE-UHFFFAOYSA-N 333.351 2.708 30 50 EFEA C=CCn1c(SCC(N)=O)nnc1-c1ccc(OCC(C)C)cc1 6726619 QSAZOOLTROUSQR-UHFFFAOYSA-N 346.456 2.743 30 50 EFEA C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCC2)n1cc([N+](=O)[O-])cn1 1421988 FSLOIXUIJOYMBM-VIFPVBQESA-N 345.384 2.803 30 50 EFEA CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(Cc2ccc(F)cc2C#N)C1 368804706 FTADSPQPAZBDDV-JKSUJKDBSA-N 342.374 2.920 30 50 EFEA C=CC[C@]1(CO)CCCN(Cc2cc3c(cc2OC)OCCO3)C1 91794416 LOXGTFMOYLOJHZ-IBGZPJMESA-N 333.428 2.617 30 50 EFEA Cc1cc(C)c(C#N)c(N2CC[C@@]3(CCCN(C(C)C)C3=O)C2)n1 91433724 YZZJXASHURPZIE-IBGZPJMESA-N 326.444 2.797 30 50 EFEA N#Cc1c(F)cccc1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 188016238 IYYJVQSERBNBRG-MRXNPFEDSA-N 348.381 2.548 30 50 EFEA O=S(=O)(O)CCCN1CCSC1=CC=Nc1ccccc1 1857524631 DMMOMOLSKPDLPY-UHFFFAOYSA-N 326.443 2.557 30 50 EFEA CC/N=C(/O)N1CCC(NC[C@H]2CCO[C@@H]2c2ccccc2)CC1 328634558 UEAHTFMPCHMTBT-SJLPKXTDSA-N 331.460 2.752 30 50 EFEA COCCN(C(=O)c1ccc(F)c(OC)c1)c1ccc(C#N)cc1 156182509 AGVKPQSGCWBQQI-UHFFFAOYSA-N 328.343 2.999 30 50 EFEA C#C[C@@H](NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1)C(C)C 242106192 WHTOVDMFFIZXOY-LJQANCHMSA-N 343.471 2.617 30 50 EFEA COc1ccccc1OCC[N+]1C(=O)C(=NO)c2cccc(C)c21 343516877 HDESJTCSMIVONL-UHFFFAOYSA-N 326.352 2.573 30 50 EFEA N#Cc1cc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)ccc1F 1772813229 VTSPTOTUEHGRPJ-UHFFFAOYSA-N 332.338 2.836 30 50 EFEA O=C1N/C(=N/N=C/c2ccccc2)S[C@H]1Cc1ccc(F)cc1 18209075 NGZPQDUZMIUVIC-BKQORJHRSA-N 327.384 2.990 30 50 EFEA Cc1cc(C)c(C#N)c(NC[C@H]2CC[C@@H](c3n[nH]c(C4CC4)n3)O2)n1 1775959258 NLRKBLMFYVIVJE-HIFRSBDPSA-N 338.415 2.898 30 50 EFEA COCc1cc(C)nc(N2CCN(Cc3ccccc3)CC2)c1C#N 350608 FSGFUCJZOPKFFM-UHFFFAOYSA-N 336.439 2.730 30 50 EFEA N#CC1(C(=O)Nc2nc(Sc3ccccc3)ns2)CCOCC1 110768887 QCOGUACNRSHXQS-UHFFFAOYSA-N 346.437 2.948 30 50 EFEA Cc1nc(N/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)oc1C 328615597 AYEOHHKVFXVURN-GJZGRUSLSA-N 329.404 2.705 30 50 EFEA N#Cc1nccnc1NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O 253432595 LNVWIHYOPJCHJQ-WMZOPIPTSA-N 326.375 2.673 30 50 EFEA Cn1cc(C#N)cc1C(=O)N1CCC[C@H](OCc2ccccc2F)C1 365557192 QYIGNWXEXNRTGO-INIZCTEOSA-N 341.386 2.857 30 50 EFEA C=CCn1c(CC23CC4CC(CC(C4)C2)C3)nnc1SCC(N)=O 17072173 VDDYYKXWGZXKEL-UHFFFAOYSA-N 346.500 2.800 30 50 EFEA CC(C)(C)c1ccc(S(=O)(=O)NCc2cncc(C#N)c2)s1 1414341632 ICQROAGGNNETTQ-UHFFFAOYSA-N 335.454 2.791 30 50 EFEA C=CCCC(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 190227134 BWKYCJVZKWMEDD-UHFFFAOYSA-N 334.367 2.562 30 50 EFEA C#CCCC1(CCC(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)N=N1 952880973 NBMYWEMWDALSNA-HNNXBMFYSA-N 340.431 2.502 30 50 EFEA C[C@H]1CC[C@H](C2CCC2)CN1Cc1cc(O)n2ncc(C#N)c2n1 2325778615 GNRLHTKHRIHFHM-JSGCOSHPSA-N 325.416 2.707 30 50 EFEA N#CCC(=O)NCCCOC(=O)Nc1ccc(Cl)c(Cl)c1 2494588 BTXZPTZKGVIEIA-UHFFFAOYSA-N 330.171 2.962 30 50 EFEA COc1cc([N+](=O)[O-])cc(/C=N/Nc2nc3ccccc3[nH]2)c1O 36047438 VEIJRIJOAOYIRM-LZYBPNLTSA-N 327.300 2.631 30 50 EFEA Cc1noc([C@H](N/C(O)=N/CC2(C3CC3)CC2)C2CCOCC2)n1 328621820 HZLZCTDJFKNYDC-CQSZACIVSA-N 334.420 2.540 30 50 EFEA CN(C)c1ccc(N[C@H]2CCCN(c3ccncc3C#N)CC2)cn1 367431447 WBUBJTIRKMZYDW-INIZCTEOSA-N 336.443 2.885 30 50 EFEA COc1cccc([C@H]2C[C@@H](O)CN2Cc2cc(C#N)ccc2OC)c1 337407887 NOLRZZGVQYYKDD-IEBWSBKVSA-N 338.407 2.883 30 50 EFEA N#CC1(C#N)[C@H](c2cccnc2)O[C@@]23CCCCC[C@@H]2[C@@]1(C#N)C(=N)O3 226829323 PWRHDKABVDIAPR-LVFSCSRESA-N 347.378 2.981 30 50 EFEA C=CCN1C[C@@H](C)N(Cc2cc(C(N)=O)oc2C(C)(C)C)C[C@H]1C 244741973 NZXDSAVTGJKWAI-ZIAGYGMSSA-N 333.476 2.757 30 50 EFEA N#Cc1ccc(N2CC[C@@H](N3CCO[C@H](c4ccccc4)C3)C2=O)cc1 298276559 KMSWAXCXJYHTFM-UXHICEINSA-N 347.418 2.737 30 50 EFEA CN1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1C#N 275365428 UPOPVDVVNDSOAX-GFCCVEGCSA-N 331.725 2.639 30 50 EFEA C=CCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Br)cc1 444044 KTDSAGIJCIJEEC-ZDUSSCGKSA-N 336.185 2.920 30 50 EFEA COC(=O)c1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 4488888 LRDAHSGOXMGNIS-CYBMUJFWSA-N 327.380 2.720 30 50 EFEA CC(C)(Oc1ccc(Cl)cc1)C(=O)O/N=C(\N)c1ccccn1 4570741 LMRDPNXXVGPGDH-UHFFFAOYSA-N 333.775 2.756 30 50 EFEA CN1CCCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 253430913 YHQFHUSXUCPNJU-UHFFFAOYSA-N 342.321 2.626 30 50 EFEA CC(C)Cc1nc(/C(O)=N/C(C)(C)CN2CCOCC2)cs1 331338426 JLRJJZXLFFGLHA-UHFFFAOYSA-N 325.478 2.757 30 50 EFEA C=CCn1cc(-c2cc(-c3ccc(C(=O)O)cc3)nc(N)c2C#N)cn1 71759156 MXWUBKDVACNPKN-UHFFFAOYSA-N 345.362 2.950 30 50 EFEA Cc1cc(C)c(C#N)c(N2CCN(C3=NCC(C)(C)S3)CC2)n1 269308838 BAOFIAGYIPHICO-UHFFFAOYSA-N 329.473 2.574 30 50 EFEA CC#CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 838156843 IYSQQFWDWWWXOK-VQTJNVASSA-N 336.410 2.933 30 50 EFEA Cc1nc2c(-c3ccccc3)cnn2c(N2CCN(CC#N)CC2)c1C 20533545 XBSRBCOXIITASX-UHFFFAOYSA-N 346.438 2.659 30 50 EFEA CCn1c(=O)c(C(=O)Nc2ccccc2C#N)c(O)c2ccccc21 100670478 XAMZLSCAAIKUQN-UHFFFAOYSA-N 333.347 2.851 30 50 EFEA C=CCn1nc(C)c([C@H]2CC(=O)NCc3nc4cc(C)ccn4c32)c1C 65525869 STFOSKFRQFTSNL-OAHLLOKOSA-N 349.438 2.794 30 50 EFEA CCOC(=O)Cn1c(-c2ccccc2)cc(SC)c(C#N)c1=O 1388921 GYIHEQMZGFTYRU-UHFFFAOYSA-N 328.393 2.672 30 50 EFEA N#CC1(C(=O)NCCOc2ncccc2C(F)(F)F)CCCC1 154289882 ZINFFDZCCMJVIC-UHFFFAOYSA-N 327.306 2.679 30 50 EFEA N#Cc1ccc2c(c1)C[C@@H](NS(=O)(=O)/C=C/c1ccc(F)cc1)C2 1365727713 HKODWQNDIGRNLE-DVBCCOPCSA-N 342.395 2.755 30 50 EFEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NC(C)C)C2 14543033 CAVBUILIQHRZBQ-OAHLLOKOSA-N 330.476 2.551 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)c2ccc(C)c(C)c2)cc1OC 18173010 YSXKCIKBXMYJIF-UHFFFAOYSA-N 328.368 2.798 30 50 EFEA OCC1(C/N=C(/O)c2cscc2Br)CCOCC1 330617984 XBHVTJOIVCFVTI-UHFFFAOYSA-N 334.235 2.604 30 50 EFEA C#CCCC1(CCC(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2C3)N=N1 2325894099 XTGXYRLJBNWJQP-ZACQAIPSSA-N 328.460 2.675 30 50 EFEA CC(C)n1cc([C@H]2OCC[C@@H]2C(O)=Nc2ccc(=O)n(C)c2)cn1 328645962 ZWHDNUJAKIHYEZ-GOEBONIOSA-N 330.388 2.529 30 50 EFEA C#CCOC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 4624181 OUPACXBYQUZHPH-CYVLTUHYSA-N 348.402 2.700 30 50 EFEA CS(=O)(=O)[C@H]1CCCN(/C(O)=N/[C@@H]2C[C@H]2C2CCCCC2)CC1 328722130 RQNMCYWVWLTPFJ-HRCADAONSA-N 342.505 2.768 30 50 EFEA Cc1ccc(-c2c(C)sc(NC(=O)COCC(=O)O)c2C#N)cc1 17071831 JSRAORQZHOZDEA-UHFFFAOYSA-N 344.392 2.943 30 50 EFEA CC(C)(C#N)c1ccccc1CN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 284640462 CBHRWJTVUXAYOK-QRQLOZEOSA-N 328.456 2.850 30 50 EFEA N#Cc1ccnc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 1413050740 SWYOCKNVIQOOSB-CVEARBPZSA-N 335.329 2.577 30 50 EFEA C=C(C)CS(=O)(=O)N[C@@H](C)Cc1cc(C)nn1-c1ccccc1 189751588 QWENEWOHIPLREU-HNNXBMFYSA-N 333.457 2.607 30 50 EFEA O=C1N=C(N/N=C/c2ccc3c(c2)OCO3)S[C@H]1c1ccccc1 448729 KIPHSKOKKHDXTO-UPAIAECRSA-N 339.376 2.710 30 50 EFEA CCc1nnc(N/N=C/c2ccc(-c3cccc(Cl)c3)o2)n1N 5092386 HYVNPLPGORWKLQ-GIJQJNRQSA-N 330.779 2.914 30 50 EFEA C#CCN1C(=O)[C@](O)(CC(=O)c2cc(C)ccc2C)c2ccccc21 316527 PIJNIYSFMMINLI-NRFANRHFSA-N 333.387 2.744 30 50 EFEA CC#CC(=O)N1CCC(CCC(=O)Nc2cccc(OC)c2)CC1 12112126 BGOQUQOADOWWNH-UHFFFAOYSA-N 328.412 2.676 30 50 EFEA C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCNC1 237723253 PWORIQXVWOKHRD-LLVKDONJSA-N 341.224 2.712 30 50 EFEA C=CCN1C[C@@H](C)N(C(=O)CSc2cccc(OC)c2)C[C@H]1C 952961225 ZQUTZJGZCJVRRS-HUUCEWRRSA-N 334.485 2.895 30 50 EFEA CC1(C)CC(=O)C=C(C(=O)N2CCC[C@H](Nc3ccccc3)C2)O1 12308704 OCPCMABVQJVCGI-HNNXBMFYSA-N 328.412 2.741 30 50 EFEA C#CCCC1(CCC(=O)N2CCN[C@H](c3cccc(OC)c3)C2)N=N1 2325892259 GLSWWSUWRFFABL-KRWDZBQOSA-N 340.427 2.524 30 50 EFEA C=CCOC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1 4801923 PNARFLJFZOGDNN-UKTHLTGXSA-N 341.319 2.508 30 50 EFEA C=CCN(Cc1ccccc1OC)C(=O)CSc1nc(CC)n[nH]1 55036119 OCNVOQLDLJQWRV-UHFFFAOYSA-N 346.456 2.683 30 50 EFEA C=C(CNS(=O)(=O)c1cc(C)c(C(=O)O)s1)c1ccccc1 352191367 HHBNQTHZHSRKND-UHFFFAOYSA-N 337.422 2.746 30 50 EFEA N#CC1(C#N)[C@@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@@H](c1ccccn1)O3 226948963 NOXTVQOPVZZGHA-MJSCVDMRSA-N 333.351 2.590 30 50 EFEA COc1cccc([C@H]2C[C@@H](O)CN2CCOc2cccc(C#N)c2)c1 225731434 KMQGWOQJPFPRPW-YLJYHZDGSA-N 338.407 2.754 30 50 EFEA CC(C)(CCC#N)CN1CCC2(CC1)CNC(=O)c1ccccc1O2 896444151 DUIHLZLZOKOZSM-UHFFFAOYSA-N 341.455 2.973 30 50 EFEA COc1ccccc1[C@H](C#N)NC(=O)c1ncccc1Br 225419831 IOTZERMLPJZCNR-LBPRGKRZSA-N 346.184 2.847 30 50 EFEA N#Cc1ccccc1OCC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 171464108 OCLRFOZHKCPCOS-UYAOXDASSA-N 336.391 2.974 30 50 EFEA N#CCOc1cccc(CC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 253396845 QMSBNXLTKHTVJZ-IPMKNSEASA-N 342.439 2.674 30 50 EFEA N#C[C@@H]1CN(C(=O)c2ncccc2Oc2ccccc2)CCN1C1CC1 366899724 GSVUTFUXSUCOCD-MRXNPFEDSA-N 348.406 2.686 30 50 EFEA Cc1cccnc1C[C@H](C)NC1CCN(c2ccc(C#N)cn2)CC1 95504417 WHBWPGZEHMBAMR-INIZCTEOSA-N 335.455 2.846 30 50 EFEA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc(Cl)cc1)[C@@H]1C[C@@H]31 252428635 RJMHKOAACSZNAE-SVABIKKMSA-N 326.783 2.727 30 50 EFEA CN(C)/C=C(/C(=O)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 29763922 SMDDYIGOBXBECR-VBKFSLOCSA-N 333.384 2.885 30 50 EFEA C=C(C)COc1cccc(NC(=O)N2CC(=O)N(CC3CC3)C2)c1 279204876 XOYCUEZJXRTWFZ-UHFFFAOYSA-N 329.400 2.685 30 50 EFEA CC(=O)[C@@H]1C[C@H](O)[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 1848443650 LCDAMWASKLSANR-NDUYDNQLSA-N 346.467 2.665 30 50 EFEA CCc1nc(SCC(=O)Nc2ccc(C)c(C)c2)[nH]c(=O)c1C#N 5238960 AEJKVKRASDVVQH-UHFFFAOYSA-N 342.424 2.552 30 50 EFEA CC(C)(O)C#Cc1ccc(CN2CCC[C@H](N3CCCC3)C2)cc1 20995522 NWTNXDLQWGOYSI-FQEVSTJZSA-N 326.484 2.869 30 50 EFEA CCCCc1nc(-c2c(C#N)c(N)nc3c2CNCC3)c(Cl)[nH]1 72148621 VYBHWNZLNDHGMV-UHFFFAOYSA-N 330.823 2.567 30 50 EFEA N#Cc1cccc(OS(=O)(=O)CCCOCc2ccccc2)c1 241634599 PNRLTMGGJFKTPE-UHFFFAOYSA-N 331.393 2.874 30 50 EFEA C[C@H]1CC[C@H](CCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)O1 175344256 LAMWOUBIUMQHNC-LSDHHAIUSA-N 345.418 2.694 30 50 EFEA C=CCn1c(SCc2noc(C(C)C)n2)nnc1C1CCNCC1 426701483 UWXXGZVKBDBPQW-UHFFFAOYSA-N 348.476 2.730 30 50 EFEA C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43CO)[C@H]1CC[C@H]2C(N)=O 257345641 FCKREEZOLFAONZ-JGFIGGHZSA-N 331.456 2.592 30 50 EFEA C=CCC(O)(CC=C)CNC(=O)CCC(=O)Nc1cc(C)ccc1F 55072514 NSFLJMAQWZASOZ-UHFFFAOYSA-N 348.418 2.852 30 50 EFEA Cc1ccsc1[C@@H]1CCN(C(=O)c2ccccc2C#N)C[C@H]1O 65395968 XTTGCGZIEHWJLE-HZPDHXFCSA-N 326.421 2.919 30 50 EFEA N#C[C@H](NC(=O)c1ncccc1Br)c1ccccc1F 252489510 JSEPSXCMDNTHRO-LBPRGKRZSA-N 334.148 2.978 30 50 EFEA CCC(=O)N1CC(=O)N(c2ccccc2C#N)C[C@@H]1Cc1ccccc1 82098492 IGCVZHQEHRUDOZ-SFHVURJKSA-N 347.418 2.755 30 50 EFEA CN(Cc1nc2ccc(F)cc2[nH]1)Cc1cc(C#CCO)cs1 952988701 RQHBFSAWKRIYKS-UHFFFAOYSA-N 329.400 2.739 30 50 EFEA Cc1c(C/N=C(/O)NC[C@H]2CCCN2C2CCCCC2)cnn1C 328587755 GWKQKMDPQAMHAQ-QGZVFWFLSA-N 333.480 2.529 30 50 EFEA Cc1nn(C)c(C)c1C/C(O)=N/Cc1nnc(C2CC2)n1C1CC1 329773906 IGZCGSCGCUWCCO-UHFFFAOYSA-N 328.420 2.540 30 50 EFEA Cc1nc2ccc(-n3cc(COc4cccc(C#N)c4)nn3)cc2[nH]1 2325880023 QSIIMYFXPQMDCC-UHFFFAOYSA-N 330.351 2.903 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)c2cc(Cl)ccc2OC)cc1 4993816 LKFPKKAMUUIKAH-UHFFFAOYSA-N 334.759 2.835 30 50 EFEA OCC#Cc1csc(CN2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)c1 65465180 MOIMGVPIPIIXDV-RBUKOAKNSA-N 345.439 2.581 30 50 EFEA C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]1/C=C/c1ccccc1 328586244 AVMBUIUYMLZORD-ADEBZEFOSA-N 333.457 2.643 30 50 EFEA COc1cnc(N=C(O)N2CC[C@]3(C2)OCc2ccccc23)s1 329235964 JBAJZGSZSVUNBS-MRXNPFEDSA-N 331.397 2.829 30 50 EFEA C=CC[C@]1(C(=O)O)CCCN(Cc2cc(C(N)=O)oc2C(C)(C)C)C1 91416922 QXXBXIKMPHJLJF-IBGZPJMESA-N 348.443 2.919 30 50 EFEA O=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 5899752 LQIPFWBLZIJBMO-UHFFFAOYSA-N 347.350 2.996 30 50 EFEA C=CC(=O)N(C)c1ccc(C(=O)N(CCC#N)CC2CCC2)cc1 1875371450 BFNLHYPJLFDNJK-UHFFFAOYSA-N 325.412 2.991 30 50 EFEA C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@H]1CCC(=O)O 237544285 TZSJXVWYOLFJIP-HIFRSBDPSA-N 330.384 2.571 30 50 EFEA Cc1nsc(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1C#N 283419945 BOWCBNGYSIGITM-UHFFFAOYSA-N 339.424 2.808 30 50 EFEA CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@](C)(O)[C@H](O)CO 230508941 SVSBMWDRQDUELL-UZKILMIQSA-N 338.488 2.849 30 50 EFEA N#Cc1ccc(OC2CCC(NC(=O)c3cccc(O)c3)CC2)nc1 182971440 ZJOMGLWXHLHWDZ-UHFFFAOYSA-N 337.379 2.779 30 50 EFEA Cn1nccc1C1CCN(/C(O)=N/CC2(C(F)(F)F)CC2)CC1 329268329 DRNNWLMDZOZLLR-UHFFFAOYSA-N 330.354 2.856 30 50 EFEA N#CCc1cccc(C(=O)N2CCC[C@@]2(CO)Cc2ccccc2)c1 365112911 WHVUDFXTBURRCU-NRFANRHFSA-N 334.419 2.962 30 50 EFEA C#CCCC1(CCNC(=O)Cn2c(C)nc3cc(F)c(F)cc32)N=N1 1875368698 LJKKVUYUOUONNK-UHFFFAOYSA-N 345.353 2.705 30 50 EFEA C=CC(=O)N1CCC(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 1875369275 DXZKPIBFGHPEPV-UHFFFAOYSA-N 341.411 2.709 30 50 EFEA C=CCN1CCN(C(=O)C(C)(C)Oc2ccc3c(c2)CCC3)CC1 20312758 TXHOIAPCIFGFJR-UHFFFAOYSA-N 328.456 2.663 30 50 EFEA CCc1onc(C)c1C(O)=Nc1cn(C)cc(Br)c1=O 329489019 YHFSUMAQRHCGQP-UHFFFAOYSA-N 340.177 2.643 30 50 EFEA C=C(C)COc1cccc(NC(=O)N2C[C@@H]3CCC[C@H](C2)C(=O)N3)c1 97553395 QHLWQRRYIAQTDQ-ZBFHGGJFSA-N 343.427 2.774 30 50 EFEA C[C@@H](CNC(=O)N1CCO[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 191103669 TUDPWSYWDBPVOT-FZMZJTMJSA-N 341.333 2.743 30 50 EFEA C=CC(=O)N1CCC(C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)CC1 1875365583 CTJCPIRWRSMSDF-HNNXBMFYSA-N 339.439 2.892 30 50 EFEA O=c1n(C[C@@H]2CO2)c(-c2ccccc2)c(-c2ccccc2)n1C[C@@H]1CO1 3122841 VITLEIWKDUORIO-QZTJIDSGSA-N 348.402 2.781 30 50 EFEA COCC[C@@H](/N=C(/O)N1CCCC12CCN(C)CC2)c1ccco1 328587122 LJRDTFBBTCFDPU-OAHLLOKOSA-N 335.448 2.831 30 50 EFEA COc1c(F)cc(-c2c(C#N)c(N)nc3c2C[C@@H](N)CC3)cc1Cl 71760141 ZQCVKPUVCITLRZ-VIFPVBQESA-N 346.793 2.820 30 50 EFEA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(c2ccc(C(F)(F)F)cc2C#N)C1 284426233 ACAWUDXRKJWDDP-YPMHNXCESA-N 337.305 2.662 30 50 EFEA CC(C)n1cc(C#N)c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)n1 252486675 HOIURKOEAPJZPK-UHFFFAOYSA-N 345.366 2.645 30 50 EFEA Cc1cc(C)c2ncc(C#N)c(N3CC[C@@](O)(c4cc[nH]n4)C3)c2c1 1875288235 TURMNVAOZWJXSY-IBGZPJMESA-N 333.395 2.544 30 50 EFEA N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCC[C@@H]2CN)c1 2325795293 WTNPGGRVJRFRPF-MJGOQNOKSA-N 349.434 2.994 30 50 EFEA CCCCCCCCCCOC(=O)CN1CCC(C(N)=O)CC1 101014502 RHNOJPVYQGKVKN-UHFFFAOYSA-N 326.481 2.868 30 50 EFEA C[C@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)CCc1ccccc1 82172030 LDGZKKLTJKSOKG-INIZCTEOSA-N 347.418 2.755 30 50 EFEA N#Cc1cc(F)cc(C(=O)N2CCC(OCc3cccnc3)CC2)c1 91829327 GCPNFXAWWLPCGP-UHFFFAOYSA-N 339.370 2.914 30 50 EFEA O=[N+]([O-])c1ccccc1C=NNc1nc2ccccc2n2cnnc12 252678614 GGPXYKYCGRHQFA-UHFFFAOYSA-N 333.311 2.632 30 50 EFEA C=CCSc1nc(O)c2c(n1)NC(=O)C[C@@H]2c1ccccc1O 670416048 CEAAFDATFVLUKK-SNVBAGLBSA-N 329.381 2.640 30 50 EFEA COc1ccccc1/C=N/N1CCN(c2ccccc2OC)CC1 136635 NDIDLTGZXNWDKI-HMMYKYKNSA-N 325.412 2.860 30 50 EFEA C#CCN1C(=O)[C@@](O)(CC(=O)c2ccc(OCC)cc2)c2ccccc21 302971 HSHVYJALVNQOEP-OAQYLSRUSA-N 349.386 2.526 30 50 EFEA COc1ccc(OC)c(NC(=O)COc2ccc(C#N)cc2OC)c1 3412469 ZFOLXCVMEWYTEG-UHFFFAOYSA-N 342.351 2.602 30 50 EFEA NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1C[C@@H]1CCCO1 9486343 RTLZWORCJLWCGJ-ZDUSSCGKSA-N 341.436 2.501 30 50 EFEA N#Cc1ccc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cn1 115712754 RPRGYWDTABKQEO-GOSISDBHSA-N 339.370 2.678 30 50 EFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1sccc1C 61405 LWSCMNNJVIMFRK-ZDUSSCGKSA-N 333.409 2.911 30 50 EFEA N#C[C@@H]1CSCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 253418182 VGBNEXLBAPXPEQ-NVXWUHKLSA-N 347.459 2.505 30 50 EFEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N/C(O)=N/[C@@H](C)c1ccco1 328623112 IWIZLDWNRHDKRE-NKFCBESUSA-N 332.404 2.725 30 50 EFEA CCc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)co1 123646367 WMTIRDSXKUIPEQ-SECBINFHSA-N 335.722 2.991 30 50 EFEA CC[C@@H]1CN(c2cccc(C#N)n2)CCC(=O)N1Cc1ccccc1 71745801 MOMISEJHYHQMMJ-GOSISDBHSA-N 334.423 2.971 30 50 EFEA Cc1cc(N2CCC(Cc3cccnc3)CC2)n2ncc(C#N)c2n1 1875310095 CWKKLJDGKXBHHD-UHFFFAOYSA-N 332.411 2.764 30 50 EFEA C#CC(=O)Nc1cc(OC)c(C(=O)N2C[C@H]3CC[C@H]2C3)cc1Cl 1875387890 CREXSDYDGFMCJN-QWRGUYRKSA-N 332.787 2.545 30 50 EFEA N#Cc1nc(/C=C/c2cccs2)oc1NCCCN1CCOCC1 20638559 WGPHPMBJTBTSNX-SNAWJCMRSA-N 344.440 2.912 30 50 EFEA COc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)cc1OC 22608043 YWXXGGKFIJNBAA-QGHHPUGFSA-N 340.383 2.563 30 50 EFEA CC(C)n1cc([C@H]2OCC[C@@H]2/C(O)=N/Cc2nc(C3CC3)no2)cn1 328618687 DXGAFDHEHOGPQW-DZGCQCFKSA-N 345.403 2.959 30 50 EFEA N#CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCO2)c1ccccc1 124566482 SDRTVTXZAMFXLO-QGZVFWFLSA-N 342.420 2.945 30 50 EFEA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1ccccc1Cl 239425684 UZVXTCIYZHORKC-OBPPPDSMSA-N 326.783 2.727 30 50 EFEA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)N2CCC(C#N)CC2)c1 299779561 OVWHVZLPSOXOMG-CYBMUJFWSA-N 326.400 2.969 30 50 EFEA Cn1cc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1C#N 191346774 PRFHAKTUACXLLK-IBGZPJMESA-N 327.403 2.981 30 50 EFEA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@@H]2c1cccc(Cl)c1 13519309 JHHBTHAUHPMWAV-UAKXVISKSA-N 347.798 2.596 30 50 EFEA Cc1nc(S(=O)(=O)N2CCC(C)CC2)c(C#N)c(C)c1Cl 111526 LQAAJRKQGXDALT-UHFFFAOYSA-N 327.837 2.644 30 50 EFEA Cc1cc(C#N)cc(N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)n1 377157550 GTUCRMXRAWMLKW-LJQANCHMSA-N 325.387 2.832 30 50 EFEA Cn1cc([C@H](NC(=O)c2c(F)cc(C#N)cc2F)C(F)(F)F)cn1 241961290 URCPEOFOXFUTFU-LBPRGKRZSA-N 344.243 2.603 30 50 EFEA N#Cc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 223422737 ZCMMYEKTCDXKSS-QZTJIDSGSA-N 340.354 2.664 30 50 EFEA C=CCC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 95368023 BXZURDCNZDZHTJ-GDIGMMSISA-N 332.394 2.930 30 50 EFEA N#Cc1cc(-c2ccccc2)sc1NC(=O)CN1CCCC1=O 194103137 GKMHKVJDEXFECX-UHFFFAOYSA-N 325.393 2.848 30 50 EFEA C=C(C)CN(C)c1ccc(C(=O)NCC[C@H]2CCCCN2C)cn1 11956699 ZFZZEYARURHIHH-QGZVFWFLSA-N 330.476 2.698 30 50 EFEA O=C1N/C(=N\c2cccc(O)c2)S/C1=C1\C(=O)Nc2ccccc21 12377982 QBPWXUQYOYYVHP-YPKPFQOOSA-N 337.360 2.606 30 50 EFEA N#Cc1ccc(CCC(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)cc1 348251916 AGCWUFIJTRMGEO-RTBURBONSA-N 338.382 2.964 30 50 EFEA C#CCCC1(CCC(=O)Nc2ccc(C(F)(F)F)n(C)c2=O)N=N1 2325892178 CYDOXYKPHXGJAM-UHFFFAOYSA-N 340.305 2.698 30 50 EFEA COc1cc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O 4143819 XLTOSQBPCROTRY-NSHDSACASA-N 345.395 2.656 30 50 EFEA N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(F)cc2)CC1 8148077 GLSYQVSCEAQLCZ-UHFFFAOYSA-N 326.331 2.932 30 50 EFEA N#CCc1ccc(OC[C@H](O)CN2CC[C@@H](c3ccccc3)C2)cc1 229203131 BQXAJIIJNFCSFP-WOJBJXKFSA-N 336.435 2.982 30 50 EFEA N#Cc1ccccc1N1CCN(Cc2ccnc3ccccc23)CC1=O 82121451 INADVQPWNCZRKS-UHFFFAOYSA-N 342.402 2.955 30 50 EFEA Cc1noc(C)c1CO[C@H]1CCN(c2nc3ccccn3c2C#N)C1 302131499 BLQBOVKEVHKFKS-AWEZNQCLSA-N 337.383 2.606 30 50 EFEA C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1/C=C/C1=CCOC1=O 4073338 XMJAJFVLHDIEHF-XMYVGIEKSA-N 332.440 2.768 30 50 EFEA biogenic,in-vitro Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3cccc(F)c3C#N)C2)o1 1775960558 SGFMALLECBUYEU-NEPJUHHUSA-N 328.347 2.530 30 50 EFEA N#Cc1ncn(CC(=O)Nc2ccccc2SC(F)F)c1C#N 126078844 IRXCTSSGGQZXFK-UHFFFAOYSA-N 333.323 2.580 30 50 EFEA C=CCc1cc(CN2C[C@@H](CC)O[C@@]3(CCOC3)C2)cc(OC)c1O 240423787 FQVBHLDZHJNYMA-XLIONFOSSA-N 347.455 2.899 30 50 EFEA Cc1cc(C)c(C#N)c(-c2ccc(C(=O)N3CCC(N)CC3)cc2)n1 426618619 YZXGDWRSKMHFJB-UHFFFAOYSA-N 334.423 2.800 30 50 EFEA N#Cc1nccnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 269838201 HFBFRICXPJUEAB-UHFFFAOYSA-N 333.317 2.694 30 50 EFEA COc1ccc([C@@H](C/N=C(\N)Nc2ccccn2)N2CCCC2)cc1 170906008 ZCABJRCBLIGGHL-QGZVFWFLSA-N 339.443 2.654 30 50 EFEA Cc1ccc(S(=O)(=O)O[N@]2CC2(C(F)(F)F)C(F)(F)F)cc1 1857666665 LCGUTLSKADDWFF-GOSISDBHSA-N 349.252 2.794 30 50 EFEA Cc1ccc(F)cc1CN1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 378501831 XDEPXNHVHSOTCJ-QRWLVFNGSA-N 335.382 2.980 30 50 EFEA OCCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1 100015335 DEZZLWQELQORIU-RELWKKBWSA-N 334.379 2.729 30 50 EFEA in-vivo N#C[C@H]1CCCN(Cc2ccc(OCCCN3CCOCC3)cc2)C1 215929704 RZQNFDJVGFWTMT-LJQANCHMSA-N 343.471 2.523 30 50 EFEA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]21C 257345452 LCZBQMKVFQNSJR-QCPSMULASA-N 346.467 2.809 30 50 EFEA CCOc1ccc([C@H](O)C2CCN(c3cnc(C#N)cn3)CC2)cc1 365706084 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COc1ccccc1CC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 378295257 AOOMJKGBRJBTHD-LJQANCHMSA-N 336.391 2.709 30 50 EFEA N#Cc1ccccc1NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3 100613778 VZFKZAOHCXVLGW-UHFFFAOYSA-N 345.358 2.777 30 50 EFEA CC[C@H](/N=C(/O)N1CCC2(CC1)C[C@@H]2C(=O)OC)c1nccs1 328593644 SEIPIQCSANNOJB-NEPJUHHUSA-N 337.445 2.783 30 50 EFEA CC(=O)N(C)c1cccc(N=C(O)N[C@@]2(C)CCO[C@H]2C2CC2)c1 328587278 UBAQEICCDBPSFE-WMZOPIPTSA-N 331.416 2.762 30 50 EFEA N#Cc1c(F)cccc1C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 374975228 FBXLHVZIURNOQU-HXUWFJFHSA-N 338.382 2.864 30 50 EFEA Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2cccc(F)c2C#N)cn1 794453233 KTGMZRBOMVNQFL-QAPCUYQASA-N 328.391 2.519 30 50 EFEA CCOc1ccc(N(CCC#N)C(=O)c2nnc3ccccc3n2)cc1 253417565 AREYJAURPJZATG-UHFFFAOYSA-N 347.378 2.984 30 50 EFEA C=CCOC(=O)C1=C(C)N(CC)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 2757591 SRVHFXQSMQPBBD-OAHLLOKOSA-N 345.355 2.684 30 50 EFEA CN(C[C@@H]1CCOC1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 225440334 SGUBXOCIIWRZQL-HNNXBMFYSA-N 338.411 2.572 30 50 EFEA 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COc1cccc(C(=O)O/N=C(\N)c2ccc(Cl)cc2)c1OC 5013746 HZTOUERDKMWUPP-UHFFFAOYSA-N 334.759 2.835 30 50 EFEA C=C(C)CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12584028 IPGSHTMAKVYKBU-UHFFFAOYSA-N 342.439 2.772 30 50 EFEA CC#CC(=O)N1CCC[C@H](CCC(=O)Nc2ccc(OC)cc2C)C1 15071077 PPZPFQAUHGZMQT-MRXNPFEDSA-N 342.439 2.984 30 50 EFEA N#Cc1ccc(N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)nc1 225647969 SFEQCYNXNOVXEK-DNVCBOLYSA-N 335.411 2.847 30 50 EFEA C#CCCC1(CCC(=O)Nc2ccc([C@H]3CNCCO3)cc2)N=N1 2325900980 PIOXVIWWEOMCHO-MRXNPFEDSA-N 326.400 2.642 30 50 EFEA N#Cc1ccc([C@@H](Nc2cnn(-c3ccccc3F)c2)C(N)=O)cc1 126197981 ZUOQMWOPCJNTFV-QGZVFWFLSA-N 335.342 2.522 30 50 EFEA CC(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 6741054 ZXTRCHSOBUBZGQ-NSHDSACASA-N 345.468 2.942 30 50 EFEA COc1cc(NC(=O)c2ccc(C#N)c(C)n2)cc(-n2cccn2)c1 225400495 GNKBEPMJEJRNJA-UHFFFAOYSA-N 333.351 2.708 30 50 EFEA N#Cc1cc2c(=O)n(CCc3cccc4ccccc34)ccc2[nH]c1=O 67676245 WIVWOMYKYGDICS-UHFFFAOYSA-N 341.370 2.957 30 50 EFEA C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1/C=C/c1ccccc1 328586246 AVMBUIUYMLZORD-GSSPJMICSA-N 333.457 2.643 30 50 EFEA CN(C)Cc1ccc(C/N=C(/O)[C@@H]2CCO[C@H]2c2ccnn2C)cc1 328635428 USLWVCXLIMEMTC-SJLPKXTDSA-N 342.443 2.716 30 50 EFEA CCO[C@H]1C[C@H](N(C)CC(=O)Nc2sccc2C#N)C12CCC2 153967708 LVFDASMFJPCCAR-KBPBESRZSA-N 333.457 2.838 30 50 EFEA COCCCN(C(=O)Nc1cccc(C#N)c1)C1CCN(C)CC1 72163277 RTSFIWSVKDPZGH-UHFFFAOYSA-N 330.432 2.523 30 50 EFEA CC[C@@]1(C(=O)O)CCCN(C(=O)c2ccc(C#CC(C)(C)O)cc2)C1 91987443 JULJIJHNMQHPIB-HXUWFJFHSA-N 343.423 2.526 30 50 EFEA CC[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(c2ccccc2C#N)CC1 277148971 WQXSYGDPPFLNFK-HKUYNNGSSA-N 341.455 2.802 30 50 EFEA N#Cc1cc2c(=O)n3ccccc3nc2n(-c2ccc(Cl)cc2)c1=O 5152539 MYEWLYSADQBCHM-UHFFFAOYSA-N 348.749 2.524 30 50 EFEA N#Cc1cc2ccccc2[nH]c1=NC[C@@H]1CCCN(C(=O)CC2CC2)C1 1875337153 OVKIIZIEEWCMNS-INIZCTEOSA-N 348.450 2.979 30 50 EFEA CCn1cc([C@H]2OCC[C@@H]2CNc2n[nH]c(C3CC3)c2C#N)cn1 886079649 PCJQPHJAMADPJX-WBMJQRKESA-N 326.404 2.565 30 50 EFEA C#CCCC1(CCC(=O)NC2(c3nc(C)cs3)CCOCC2)N=N1 2325886133 VMJSAZOMSPNQEV-UHFFFAOYSA-N 346.456 2.929 30 50 EFEA C=C(C)C[C@@H]1N(c2ccc(F)cc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 529146 WOALJGRKQHMPHP-NTODXPRQSA-N 343.354 2.532 30 50 EFEA C=CCOc1ccc(/C=C2\C(=O)N(C)C(C)=C2C(=O)OC)cc1OC 2932590 LFWJXSWQPCYNDH-UVTDQMKNSA-N 343.379 2.562 30 50 EFEA O=C(c1ncoc1C1CC1)N1CCC[C@@H]1C(O)=Nc1nccs1 328691896 JANITMZXYAFSKG-SNVBAGLBSA-N 332.385 2.901 30 50 EFEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/N=C(/O)CN1CCC(C)CC1 328608674 AXMXEIJKALQNJR-YJBOKZPZSA-N 334.464 2.555 30 50 EFEA CCOc1ccc(Cl)cc1CCNC(=O)C1(C#N)CCOCC1 159350298 GZBJYOCJDFZBBB-UHFFFAOYSA-N 336.819 2.718 30 50 EFEA Cn1/c(=N/N=C/c2cc([N+](=O)[O-])ccc2O)sc2ccccc21 15800173 FHLBRSCVDJMTGW-CEIRTLRLSA-N 328.353 2.788 30 50 EFEA C#CCCC1(CCC(=O)N2CCC(C(=O)O)(C(F)(F)F)CC2)N=N1 952876456 RCWZBNNAHBUTOI-UHFFFAOYSA-N 345.321 2.598 30 50 EFEA C=CC(=O)N1CCC(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)CC1 1875365584 CTJCPIRWRSMSDF-OAHLLOKOSA-N 339.439 2.892 30 50 EFEA N#Cc1cnn2c(=O)nc(S[C@@H]3CCc4c(Cl)cccc43)[nH]c12 2325873811 UORQMTJMMGKJQV-GFCCVEGCSA-N 343.799 2.722 30 50 EFEA O/C(=N/C[C@@H]1CCCn2ccnc21)N1CCCC[C@@H]1c1cc[nH]n1 329535198 LHEYQTUHDYWZQM-DZGCQCFKSA-N 328.420 2.625 30 50 EFEA Cc1oc(/C(O)=N/[C@@]2(C)CC=CCC2)cc1S(=O)(=O)N(C)C 331358798 VQDGYEGETQCQCH-HNNXBMFYSA-N 326.418 2.642 30 50 EFEA Cc1cc(C)c(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c(=O)[nH]1 91426491 OWTFMYNOZOCGJF-UHFFFAOYSA-N 335.407 2.689 30 50 EFEA CCOC(=O)CSc1nc(-c2ccccc2)c(C#N)c(N)c1C#N 253470874 HKOSVUYNFUIZCY-UHFFFAOYSA-N 338.392 2.729 30 50 EFEA C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@@H]1C 278855793 QUDJAATXKDILND-UWVGGRQHSA-N 343.246 2.597 30 50 EFEA O=C1CCC(c2ccccc2)=C1CC(=O)N1CCC[C@H]1C1(O)CC1 1772816118 IUNZUQHAIGGSRL-SFHVURJKSA-N 325.408 2.709 30 50 EFEA CC/N=C1\S[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1CC 100633730 XAAPWLPKAVIJAU-MGPWXQLLSA-N 347.440 2.558 30 50 EFEA C=CCN(C)C(=O)N[C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 249279556 OKUCZINNYBZCPM-ROUUACIJSA-N 329.444 2.800 30 50 EFEA C#CCCC1(CCNC(=O)Cc2cnn(Cc3ccccc3)c2)N=N1 2325891698 WGTFWPFPQMZCPF-UHFFFAOYSA-N 335.411 2.556 30 50 EFEA N#Cc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1 4384504 QSYKJFBQSJIOOZ-UHFFFAOYSA-N 336.376 2.526 30 50 EFEA CC(C)c1nc2n(n1)C[C@H](/N=C(/O)Cn1cc3ccccc3n1)CC2 329819594 GFGVBOVBTUIFNT-CQSZACIVSA-N 338.415 2.723 30 50 EFEA C#CCn1cc(CN(C)C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cn1 160876139 LSDCCFZVTGWVCT-UHFFFAOYSA-N 339.443 2.617 30 50 EFEA N#Cc1ccc(S(=O)(=O)Nc2ccccn2)cc1Br 390835327 KVVUNAILMMPZHK-UHFFFAOYSA-N 338.186 2.517 30 50 EFEA Cc1ccc2c(CC/N=C(/O)[C@@H]3CCc4nn[nH]c4C3)cn(C)c2c1 329054628 SENYAZUQNYRWGN-CYBMUJFWSA-N 337.427 2.909 30 50 EFEA CC1(C)CC(=O)C=C(C(=O)N2CCC[C@@H](Nc3ccc(F)cc3)C2)O1 11662945 SORMMXKJOJEWBV-OAHLLOKOSA-N 346.402 2.881 30 50 EFEA N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccccc1Cl 185080 VSSQPCDWYNEPEO-UHFFFAOYSA-N 335.772 2.722 30 50 EFEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c(OCC)cccc1[N+](=O)[O-] 253429501 DRVSZGCVHFEPJF-LRDDRELGSA-N 334.372 2.705 30 50 EFEA CC(=O)N(C1CCC1)[C@H]1CCCN(C(O)=Nc2ccccn2)CC1 328652634 WNZMCEYQJLTWAG-INIZCTEOSA-N 330.432 2.883 30 50 EFEA C[C@]12CCC(=O)C=C1[C@@H](O)C[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)CO)CC[C@H]12 254793295 NCYJPPVFCXZXCE-RKCUGXNYSA-N 346.467 2.667 30 50 EFEA Cc1ncc(Cl)c(NC2CCN(c3ncccc3C#N)CC2)n1 1704304983 PWECWFNWFTXATH-UHFFFAOYSA-N 328.807 2.786 30 50 EFEA Cc1nc(CN(C)[C@@H]2CCCN(c3cccc(F)c3C#N)CC2)no1 328656949 ZVMHEKBQMONMBY-CQSZACIVSA-N 343.406 2.880 30 50 EFEA CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC=C(F)C1 496048453 QHXUQXHBGSZFSQ-ZDUSSCGKSA-N 325.384 2.659 30 50 EFEA N#CC1(C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)CCCC1 174822633 WYRPAKZEZHWOLK-HNNXBMFYSA-N 326.318 2.637 30 50 EFEA C[C@H]1CCCN(S(=O)(=O)c2oc(-c3ccccc3)nc2C#N)C1 252483711 FHFJZUYVJWXINX-LBPRGKRZSA-N 331.397 2.634 30 50 EFEA CC(=O)[C@@H]1C[C@H](O)[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 257357026 LQEJOAGSAHRUCT-TWUNARIMSA-N 344.451 2.873 30 50 EFEA N#Cc1cccc(NC(=O)NCc2ccc(-n3ccnc3)c(F)c2)n1 1672593533 XAPMDMIYUPCJOP-UHFFFAOYSA-N 336.330 2.600 30 50 EFEA CC(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(C(C)C)cc1 19882045 DYNABARQZCBVKG-KRWDZBQOSA-N 330.428 2.656 30 50 EFEA C=CCNC(=O)[C@H](C)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 248983309 FYONQJIRNBDILG-LKTVYLICSA-N 326.799 2.589 30 50 EFEA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3ccc(F)c(C#N)c3)C2)o1 952890661 FXHBYMYPTLZHPF-RISCZKNCSA-N 328.347 2.530 30 50 EFEA C#CCSc1nc(O)c2c(n1)NC(=O)C[C@H]2c1cccc(F)c1 4944429 FOJXTHUXWNAMIV-NSHDSACASA-N 329.356 2.521 30 50 EFEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2C(=O)Nc1ccc(F)cc1 9013425 VMWNHAJTFPUPAH-GFCCVEGCSA-N 330.359 2.544 30 50 EFEA C=CCN(C)C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O 67803445 JRWJDIPLLUKZPM-FQEVSTJZSA-N 330.472 2.781 30 50 EFEA C=CCN(CCSc1ccccc1)C(=O)[C@@H]1CCCN(C(N)=O)C1 65459737 NTNSOYXXKWLUHF-OAHLLOKOSA-N 347.484 2.584 30 50 EFEA O/C(CN(Cc1ccccn1)[C@H]1CCCNCC1)=N/CC1CCC1 328603185 FJIQCBUOGRVPNK-SFHVURJKSA-N 330.476 2.782 30 50 EFEA CC1(C)[C@H]2CC[C@@]1(C)[C@H](N/C(O)=N/C[C@H]1CCCS(=O)(=O)C1)C2 329249943 UBAHRIWJDSHTCZ-OEUWWYETSA-N 342.505 2.530 30 50 EFEA CCOc1ccc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2C)cn1 75939263 XOOYADPNFXEXNL-DOMZBBRYSA-N 335.411 2.688 30 50 EFEA CCN(CC)c1cc(N2CCN(CCC#N)CC2)c([N+](=O)[O-])cc1F 19812705 TZDINPYOYJIQJF-UHFFFAOYSA-N 349.410 2.616 30 50 EFEA Cc1n[nH]cc1C1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 375374977 AOFNXRGHRSMZJL-LJQANCHMSA-N 349.438 2.575 30 50 EFEA C[C@@H]1CC[C@H](C2CCC2)CN1Cc1cc(O)n2ncc(C#N)c2n1 2325778616 GNRLHTKHRIHFHM-OCCSQVGLSA-N 325.416 2.707 30 50 EFEA COc1cc(C2(/C(O)=N/CCCc3nncn3C)CC2)ccc1C 328592127 OILNPCSGTSSIJW-UHFFFAOYSA-N 328.416 2.753 30 50 EFEA C[C@@H](CCc1ccc(I)cc1)NC(=O)CC#N 357641422 HQPBBVXFFCBOAP-JTQLQIEISA-N 342.180 2.642 30 50 EFEA O=C(/C=C/c1cnn(-c2ccccc2F)c1)c1cn2cccnc2n1 328593180 QZJFJYPSFWRRKY-VOTSOKGWSA-N 333.326 2.950 30 50 EFEA Cn1ccnc1[C@@H]1OCCC[C@H]1CNc1nc2c(cc1C#N)CCC2 858008791 ZXQAUCMEKAKYQC-WMLDXEAASA-N 337.427 2.755 30 50 EFEA CC1(C)OB(c2cccc([S@](=N)(=O)C(F)(F)F)c2)OC1(C)C 1857779821 OPYQZJOYZIEUFT-QFIPXVFZSA-N 335.156 2.911 30 50 EFEA CC1(C)OB([C@@H]2CCN(C(=O)N3CCC[C@H](CC#N)C3)C2)OC1(C)C 1875366748 KZGPEQYTFMMLCM-HUUCEWRRSA-N 347.268 2.900 30 50 EFEA COc1ccccc1C(=O)O/N=C(\N)c1c(C)cc(C)nc1Cl 4771504 SHPMEWNOKBSHNV-UHFFFAOYSA-N 333.775 2.838 30 50 EFEA Brc1cccc(/C=N/Nc2nnnn2-c2ccccc2)c1 4697720 INIHVVCPLOEQPL-MHWRWJLKSA-N 343.188 2.871 30 50 EFEA C=CCN1C[C@@H](C(=O)Nc2ccc(NC(=O)CC)c(Cl)c2)CC1=O 55414356 LRUCIQIWTXPODV-NSHDSACASA-N 349.818 2.662 30 50 EFEA C=CCc1cccc(Cl)c1OCCOCCN1CCOCC1 20653198 FNISBJRDBGOBEC-UHFFFAOYSA-N 325.836 2.796 30 50 EFEA OCC#Cc1csc(CN2CC[C@H](c3ccc(F)cc3)[C@@H](O)C2)c1 210276403 MOIMGVPIPIIXDV-MOPGFXCFSA-N 345.439 2.581 30 50 EFEA C[C@@](C#N)(NC(=O)CN(Cc1cccs1)C[C@H]1CCCO1)C1CC1 255128099 DWBFRCBMSAXVTG-QAPCUYQASA-N 347.484 2.538 30 50 EFEA N#C[C@@H]1CSCCN1C(=O)Cc1coc(-c2ccc(F)c(F)c2)n1 366694641 KOECQEXGKZLUGB-GFCCVEGCSA-N 349.362 2.630 30 50 EFEA N#Cc1ccc(NC(=O)CN2CCc3ccc(CO)cc32)cc1Cl 371352454 XMUSNHWBXPTQMT-UHFFFAOYSA-N 341.798 2.705 30 50 EFEA Cc1ccc(-c2c(C#N)c(N)nc3c2CN(c2ncccn2)CC3)s1 71771132 IILYJSHGWMOYQM-UHFFFAOYSA-N 348.435 2.925 30 50 EFEA N#Cc1cccc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)n1 95367808 HQMXJPSUZMAQCW-FUHWJXTLSA-N 332.407 2.581 30 50 EFEA CCN(CC)c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c(O)c1 15685824 LDCBTNUWNIPQCW-ZDLGFXPLSA-N 329.360 2.988 30 50 EFEA CCCOc1c(I)cc(/C=N/O)cc1OC 2991782 USSIYRZOGHVXPK-NTUHNPAUSA-N 335.141 2.897 30 50 EFEA CC(C)(C)n1ncnc1C/N=C(/O)N1CCO[C@@H](C2CCCCC2)C1 328586554 FCHJSCLTTMESHU-OAHLLOKOSA-N 349.479 2.728 30 50 EFEA C#CCCC1(CCNC(=O)C[C@@H](N)c2ccccc2OCC)N=N1 2325900658 DSXBDPVEHIVOQZ-OAHLLOKOSA-N 328.416 2.557 30 50 EFEA CC(C)c1ccc(S(=O)(=O)N/N=C\c2cccc(O)c2O)cc1 17070465 RIJNUOFARBILHJ-YVLHZVERSA-N 334.397 2.534 30 50 EFEA CN(C(=O)c1cccc(S(C)(=O)=O)c1)c1cc(Cl)ccc1C#N 176429285 AVZKVWOBRZGXRC-UHFFFAOYSA-N 348.811 2.892 30 50 EFEA N/C(=N\[N+](=O)[O-])Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 6251308 HXITZRYQQNNAGZ-UHFFFAOYSA-N 333.735 2.511 30 50 EFEA C#CCCC1(CCC(=O)N2CCC(Oc3ncccc3F)CC2)N=N1 952879196 BHKWFHVLSVXPKP-UHFFFAOYSA-N 344.390 2.946 30 50 EFEA O=S1(=O)NC(=NCC2CCSCC2)c2ccc(Cl)cc21 2325875630 YCYFVGRUJMQNQC-UHFFFAOYSA-N 330.862 2.522 30 50 EFEA Cc1nsc(N2CCN(c3ccc(C#N)cc3F)CC2)c1C#N 286033659 BGBXGJFOIBSLPD-UHFFFAOYSA-N 327.388 2.661 30 50 EFEA N#CC1(C(=O)Nc2ccc3sc(C(=O)O)cc3c2)CCOCC1 178192057 NIYWTABBDUESEY-UHFFFAOYSA-N 330.365 2.858 30 50 EFEA C#CCOc1ccc(NC(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)cc1 195535629 FHNJETLKEHLXLI-RLJZQAMKSA-N 348.468 2.900 30 50 EFEA C=CC[C@H](CC)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 252492468 MNBWLVIEFOTGLF-UXLLHSPISA-N 346.475 2.849 30 50 EFEA CCCN1CCC[C@]2(CCCN2C(=O)c2cccc(C#N)c2)C1=O 2356151235 YOUIGXZLOOELRF-IBGZPJMESA-N 325.412 2.565 30 50 EFEA Cc1nc(-c2cccc(NC(=O)Cc3ccc(OCC#N)cc3)c2)n[nH]1 110234660 LNDHMYTUAVTWRC-UHFFFAOYSA-N 347.378 2.864 30 50 EFEA CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccn1C)C2=O 217990023 AGAIAVNFHMTUER-SXGWCWSVSA-N 327.336 2.583 30 50 EFEA biogenic C=CCn1c(SC[C@H](O)c2ccccc2)nnc1C1CCNCC1 426646964 DMNOFDAHNUVEAT-INIZCTEOSA-N 344.484 2.757 30 50 EFEA Oc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)c(O)c1 244828608 TZHAMAUHEJHNFI-UHFFFAOYSA-N 345.830 2.903 30 50 EFEA N#Cc1ccc(CNC(=O)N2CCN(CC3CCCC3)CC2)cc1 534647200 FGIIMUBQWLBMQZ-UHFFFAOYSA-N 326.444 2.576 30 50 EFEA COc1cccc(/C=N\N2CCN(c3ccccc3)CC2)c1OC 15685154 VPMBYGIIPRZGRV-HKWRFOASSA-N 325.412 2.860 30 50 EFEA O/C(=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1)Nc1ccccn1 328622223 IHDXCIUELAEFQW-SNVBAGLBSA-N 339.321 2.885 30 50 EFEA Cc1nc(NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)ccc1C#N 952881542 PULXOAUIJGDXNV-LLVKDONJSA-N 336.321 2.590 30 50 EFEA C#CCCC1(CCC(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)N=N1 2325886270 AXMHSAWVGBJJBY-MRXNPFEDSA-N 344.459 2.640 30 50 EFEA CC(C)(C)NC[C@H](O)CO/N=C(\c1ccccc1)c1ccccn1 1951891 UMVBYLBBKIVOFM-KDCJFMNISA-N 327.428 2.600 30 50 EFEA C=C(C)COc1ccc(C(=O)N[C@@H](C(=O)O)c2c(C)n[nH]c2C)cc1 67741061 NOEBSUGAJDITDE-MRXNPFEDSA-N 343.383 2.537 30 50 EFEA N#Cc1cccc(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)c1 218958466 USTQMQVVTDKYIO-MSOLQXFVSA-N 340.354 2.664 30 50 EFEA N#C[C@@H]1CSCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 271761057 VNVUMXKMSSPQHT-LLVKDONJSA-N 345.302 2.695 30 50 EFEA N#Cc1c(Cl)nsc1NCc1ccc(CN2CCOCC2)o1 170595666 IUNXPODKZQOWTE-UHFFFAOYSA-N 338.820 2.705 30 50 EFEA N#Cc1ccc(S(=O)(=O)Nc2cccnc2)cc1Br 225713011 SUACONAATGNPDK-UHFFFAOYSA-N 338.186 2.517 30 50 EFEA COc1ccc(/C=C2/NC(=O)/C(=C/c3ccc(OC)cc3)C2=O)cc1 15724241 VWHVWFUVLNGQOE-JYFOCSDGSA-N 335.359 2.827 30 50 EFEA CC(=O)Nc1cc(OC(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 169794750 OLWPFRXCCCYAMH-UHFFFAOYSA-N 345.126 2.843 30 50 EFEA C#CCCC1(CCC(=O)Nc2c(C)nn(C)c2-n2cc(C)cn2)N=N1 2325900429 YPBBSORMXLZIRN-UHFFFAOYSA-N 339.403 2.517 30 50 EFEA CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O 1725698 WNFXUXZJJKTDOZ-OAHLLOKOSA-N 330.336 2.691 30 50 EFEA biogenic,in-vitro COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccc1F 6786406 LOZDEKYEGSFUHD-HNNXBMFYSA-N 345.326 2.643 30 50 EFEA C#CCOc1cccc(NC(=O)N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 245339376 SIJQIFPUGZZPPK-GVDBMIGSSA-N 328.412 2.976 30 50 EFEA Cn1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c2ccccc21 253390246 UPHRIRMXYZVLDE-SYZQWAOXSA-N 345.402 2.565 30 50 EFEA O=C(N[C@H](CS)C(=O)O)OCC1c2ccccc2-c2ccccc21 74921886 RMTDKXQYAKLQKF-MRXNPFEDSA-N 343.404 2.908 30 50 EFEA in-vitro Cc1cc(S(=O)(=O)Nc2[nH]nc(C3CC3)c2C#N)cc(C)c1F 277083780 SHDOZRMDXRMCSC-UHFFFAOYSA-N 334.376 2.716 30 50 EFEA CN(C)c1cccc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)n1 170690673 VYAMGTBMXXYDRW-UHFFFAOYSA-N 340.431 2.897 30 50 EFEA N#Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 171464089 OCLRFOZHKCPCOS-ICSRJNTNSA-N 336.391 2.974 30 50 EFEA CCOC(=O)Cc1csc(N/N=C\c2ccc(N(C)C)cc2)n1 31850115 UWCOBXUPUQZMFB-YVLHZVERSA-N 332.429 2.761 30 50 EFEA CCn1cc(CN2CC[C@]3(CCCN(CC4CC4)C3=O)C2)cc1C#N 91433876 DOFFPJQQSBDDDP-HXUWFJFHSA-N 340.471 2.604 30 50 EFEA C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C 257359167 YVMJVRXYBPUPKF-SVMVYQPLSA-N 328.452 2.853 30 50 EFEA COc1ccccc1N1CCN(/N=C\c2cccc(OC)c2O)CC1 15685145 GXHJDFKWUBEMIV-ZHZULCJRSA-N 341.411 2.566 30 50 EFEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(Br)o1)[C@H]1C=C[C@H]2CC1 100053337 PUQOAMYQHUAWOD-RZWNUISASA-N 349.184 2.573 30 50 EFEA C#CCCC1(CCC(=O)Nc2nccn2CC2CCOCC2)N=N1 2325899941 FQJSOGSAJKXWMJ-UHFFFAOYSA-N 329.404 2.604 30 50 EFEA COc1cc(-c2cc(-c3cnc(C)n3C)c(C#N)c(N)n2)ccc1O 67910062 YQJZHVZTLCZKJB-UHFFFAOYSA-N 335.367 2.626 30 50 EFEA C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCO1 229516414 NJWLCCXXBYHDFT-OLZOCXBDSA-N 347.484 2.794 30 50 EFEA CC(C)[C@](C)(C#N)NC(=O)CN1CCO[C@@H](c2ccccc2Cl)C1 229575639 HROYYQABLBCGRG-AEFFLSMTSA-N 349.862 2.768 30 50 EFEA N#Cc1ccc(O[C@@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)nc1 366386314 NDUXIDMNWIQQEG-MRXNPFEDSA-N 346.390 2.657 30 50 EFEA N#Cc1c[nH]c(C(=O)N[C@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)c1 240825138 QNFPLDAXDPBAHW-GMBSWORKSA-N 346.390 2.677 30 50 EFEA O=C(C#Cc1ccccc1)N[C@H]1CCCN(CCc2ccccc2)C1 12072317 WDDWLMNGRWQESU-NRFANRHFSA-N 332.447 2.861 30 50 EFEA N#CC1(C#N)[C@H](c2cccnc2)O[C@@]23CCCC[C@H]2[C@@]1(C#N)C(=N)O3 208159950 TUNJAGRBRMZMRP-DFEHZGFQSA-N 333.351 2.590 30 50 EFEA C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 347992325 OYMXCQAJUPPSEM-BBRMVZONSA-N 343.390 2.994 30 50 EFEA C[C@@](CCc1ccc(-c2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O 73311685 GDYIQUFNICPYHF-GOSISDBHSA-N 347.436 2.595 30 50 EFEA CC(C)(CC#N)CS(=O)(=O)N1CC[C@]2(CCc3ccccc3O2)C1 451558028 AMQSOTISXVMCLC-GOSISDBHSA-N 348.468 2.726 30 50 EFEA COC(=O)c1c(C)[nH]c(C(=O)CSc2cccnc2C#N)c1C 408523587 TVZPZOHBANQBSL-UHFFFAOYSA-N 329.381 2.660 30 50 EFEA CC1(C)OB(c2c(Cl)cnc(Br)c2F)OC1(C)C 208395141 QUWKKALCRVBRRO-UHFFFAOYSA-N 336.397 2.936 30 50 EFEA COc1ccccc1[C@H](C#N)NC(=O)c1c[nH]c(=O)c2ccccc12 225539702 NZAVICZXQVUCMQ-INIZCTEOSA-N 333.347 2.531 30 50 EFEA COC[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC(C)(C)O1 285500555 NAPODQLLZGJOGL-INIZCTEOSA-N 328.412 2.508 30 50 EFEA N#C[C@H]1COCCN1C(=O)CCSc1nc2ccccc2s1 176648732 HBMYYTNUIZKWQI-NSHDSACASA-N 333.438 2.529 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)c2ccccc2Br)cc1 5091335 LIAOIAMUQHWFBP-UHFFFAOYSA-N 349.184 2.935 30 50 EFEA CCOc1cccc(-c2nnc(S)n2/N=C/c2cccnc2)c1 5906939 QFSZFLYVXGHXSA-WOJGMQOQSA-N 325.397 2.910 30 50 EFEA Cc1cccc(C/C(O)=N/C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)c1 328640232 PXFNAWWBMOXEAH-GJZGRUSLSA-N 332.379 2.802 30 50 EFEA COc1cc(/C=N/OCCN2CCCCCC2)cc(OC)c1OC 43761427 SUDRMDMWFFWGIA-XMHGGMMESA-N 336.432 2.939 30 50 EFEA C=CCC(=O)N1CC[C@]2(CCCN(Cc3ccccc3F)C2=O)C1 15070545 STROWUKDXYMDOM-LJQANCHMSA-N 330.403 2.743 30 50 EFEA CC#CC(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(OC)cc2C)C1 15071075 PPZPFQAUHGZMQT-INIZCTEOSA-N 342.439 2.984 30 50 EFEA C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1 6697788 BLLIBTXENANGAY-UHFFFAOYSA-N 334.372 2.542 30 50 EFEA Cc1ccc(N2C[C@@H](C)N(C(=O)c3ccc(C#N)cc3)CC2=O)cc1 82120079 ITVLDTHBJDLVLQ-OAHLLOKOSA-N 333.391 2.744 30 50 EFEA COc1ccc([C@H]2O[C@@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@@H]3C)cc1 226982048 KNBJGGAZDRQYCX-QQFPMYEESA-N 336.351 2.670 30 50 EFEA Cc1ccc(S(=O)(=O)NN=CC2=CC3[C@H]4C=CC2C=C[C@@H]34)cc1 254842495 LRDQQJDNKXYMRI-DWLODGJJSA-N 326.421 2.804 30 50 EFEA O/C(COc1ccc(Br)cc1Cl)=N\c1ncn[nH]1 458168 LZGQRXVZWADXJB-UHFFFAOYSA-N 331.557 2.888 30 50 EFEA O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccccc1 13464365 GZLHJLJEIVRVKW-CQSZACIVSA-N 325.393 2.935 30 50 EFEA N#CC1(CS(=O)(=O)N2CCC[C@H](c3ccccc3)C2)CCOCC1 952965198 ZMBATDHROSGMNY-KRWDZBQOSA-N 348.468 2.516 30 50 EFEA C=CC(=O)N(C)c1ccc(C(=O)N2CC[C@H](CC#N)C(F)(F)C2)cc1 1875373515 DEMATGBHIJPJMB-AWEZNQCLSA-N 347.365 2.846 30 50 EFEA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccc(C#N)c3)C1)CC2 2356136078 GBAXQNXMLPTAKG-HXUWFJFHSA-N 332.407 2.777 30 50 EFEA O/C(=N/Cc1cn2ccccc2n1)N1CC[C@]2(C1)OCc1ccccc12 329942786 VUWFWMUCDBYJDX-HXUWFJFHSA-N 348.406 2.880 30 50 EFEA N#Cc1ccc(NC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)c(F)c1 299766696 KQCLQEINNBDICL-AWEZNQCLSA-N 344.390 2.564 30 50 EFEA Cn1cc([C@H](O)C[C@H]2CCCN2Cc2cccc(F)c2C#N)cn1 794453230 KTGMZRBOMVNQFL-CRAIPNDOSA-N 328.391 2.519 30 50 EFEA Oc1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c(O)c1 435374 MBKIYLIWUOTXNT-XDHOZWIPSA-N 331.803 2.907 30 50 EFEA C=CCNc1ccc(C(=O)N2CCC(CCn3cccn3)CC2)cn1 15072402 ATQVPQMFDPTATQ-UHFFFAOYSA-N 339.443 2.819 30 50 EFEA CC(C)(C)c1ccccc1CSc1nc(=O)n2ncc(C#N)c2[nH]1 2325863855 ZFZMVYZDCPZHBE-UHFFFAOYSA-N 339.424 2.879 30 50 EFEA Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C#N)CCCC2 1429406 QTFYLTVZQAAUGX-UHFFFAOYSA-N 345.384 2.550 30 50 EFEA Cn1cc(C#N)cc1C(=O)NCc1cccc(C(F)(F)F)c1F 215894550 ZRSQPBJUIBHROU-UHFFFAOYSA-N 325.265 2.985 30 50 EFEA Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1ccc(C#N)nc1 129013331 UCROJTCKMAWEEX-UHFFFAOYSA-N 345.428 2.535 30 50 EFEA COc1ccc(/C=C/C(=O)c2c(O)cc(C)oc2=O)c(OC)c1OC 85616555 QYPDVMZTFZNUIA-FNORWQNLSA-N 346.335 2.576 30 50 EFEA CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)nc2)CC1 277532038 YHBGLENTSUBGHM-INIZCTEOSA-N 344.459 2.586 30 50 EFEA Cc1c(C#N)c(N(C)CC2(CO)CCOCC2)nc2ccccc12 1857673840 ZTBQOFXJJDBFOH-UHFFFAOYSA-N 325.412 2.640 30 50 EFEA N#Cc1ccc(CCC(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)cc1 348251915 AGCWUFIJTRMGEO-RBUKOAKNSA-N 338.382 2.964 30 50 EFEA CC(C)NC1=C(n2nnc3ccccc32)C(=O)c2ccccc2C1=O 4686845 YSRJKDDVHKKWHW-UHFFFAOYSA-N 332.363 2.677 30 50 EFEA C#CCCC1(CCC(=O)N2CCN[C@@H](c3cccc(OC)c3)C2)N=N1 2325892260 GLSWWSUWRFFABL-QGZVFWFLSA-N 340.427 2.524 30 50 EFEA N#Cc1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 390092 QXIBFOMICZPRHH-UHFFFAOYSA-N 338.754 2.560 30 50 EFEA C=C(C)COc1cccc(CN2CCc3nc(C)[nH]c(=O)c3CC2)c1 67840270 FBZLCOLTHMZRAL-UHFFFAOYSA-N 339.439 2.634 30 50 EFEA C=CCNC(=O)CN1c2ccccc2[C@H](C(=O)N[C@H](C)CC)C[C@H]1C 230058409 COMBULIRYMFJFQ-BFYDXBDKSA-N 343.471 2.586 30 50 EFEA N#Cc1cc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)ccc1F 285133373 XYMRONFBCPUHCS-KDURUIRLSA-N 349.409 2.901 30 50 EFEA CC#CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2F)C1 497123356 BZECIYCBICDYLJ-GOEBONIOSA-N 346.402 2.668 30 50 EFEA CO[C@@H](C)CS(=O)(=O)NCc1ccc(-c2ccccc2C#N)cc1 195444031 CUTNTNYCICUBIK-AWEZNQCLSA-N 344.436 2.680 30 50 EFEA CCN(CC)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC 712332924 HOWTWZIUIJCHGG-UHFFFAOYSA-N 348.252 2.868 30 50 EFEA Cn1nccc1[C@@H]1OCCC[C@H]1c1nnc(C2(C#N)CCCC2)o1 886094905 GZKMDLBEZLYNHG-TZMCWYRMSA-N 327.388 2.774 30 50 EFEA CC(=O)/N=C1/NC(=O)/C(=C\c2ccc(Br)cc2)S1 5726022 AXAFTXDPGOIXOL-UXBLZVDNSA-N 325.187 2.556 30 50 EFEA C#CCCC1(CCNC(=O)Cc2c(C)nn(CC3CC3)c2C)N=N1 2325891599 PTZDIGOTYQRNQD-UHFFFAOYSA-N 327.432 2.534 30 50 EFEA COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O 4487927 QSXGHNJYELIQGZ-HNNXBMFYSA-N 349.390 2.753 30 50 EFEA C=CCc1cc(CN2CCC3(CC2)CN(C)CCN3C)ccc1OC 67712632 DABVRIRVLIBPKW-UHFFFAOYSA-N 343.515 2.636 30 50 EFEA C[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1cccc(/C(O)=N/C2CC2)c1 329945295 XFTRPTHBNWUFHG-KDOFPFPSSA-N 341.455 2.852 30 50 EFEA C=CCNC(=O)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 15075611 OTEVACSOJWGPFX-AWEZNQCLSA-N 328.334 2.844 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c(OC)c1 19535633 KCZYRPKBIWYGGW-KRWDZBQOSA-N 343.379 2.542 30 50 EFEA biogenic,in-vitro C[C@H]1CN(C(=O)NCc2cc3ccccc3o2)C[C@H](C)N1CC#N 864095471 MUOFEAUSIGQUMF-KBPBESRZSA-N 326.400 2.561 30 50 EFEA C#CCCC1(CCNC(=O)c2c(C)noc2-c2cc(CC)on2)N=N1 1875381824 ISDDNPJDTFQUOO-UHFFFAOYSA-N 341.371 2.896 30 50 EFEA CN(C)Cc1cc(O[C@@H]2CCN(Cc3ccccc3C#N)C2)ccn1 886084525 DVEBWXGIEGWCDJ-HXUWFJFHSA-N 336.439 2.668 30 50 EFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC 289889 YDBXPCPUOJDGGZ-OAHLLOKOSA-N 343.379 2.550 30 50 EFEA C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21OCC1=O 257356878 KVTUNQQLGNXYMG-LRIWQSHXSA-N 344.451 2.827 30 50 EFEA COc1ccc(O)c(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 254813697 BHIRGSIQQKJWJG-UHFFFAOYSA-N 337.379 2.949 30 50 EFEA COc1ccc(C2(CNC(=O)C3(C#N)CCOCC3)CCC2)cc1 408513984 SBUCIGNGZDXVBM-UHFFFAOYSA-N 328.412 2.553 30 50 EFEA COCc1cc(C)n(Cc2ccc(Br)cc2)c(=O)c1C#N 15009705 HFBMBIXSUXACRT-UHFFFAOYSA-N 347.212 2.986 30 50 EFEA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccc(C#N)c(Cl)c3)n[nH]c21 1857531210 MDODDWFZBIEITB-ZJUUUORDSA-N 344.802 2.887 30 50 EFEA N#Cc1nc(-c2ccc(Br)cc2)oc1NCCC(=O)O 2050025127 VFEBUPVICIJEMZ-UHFFFAOYSA-N 336.145 2.862 30 50 EFEA N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)o1 2882935 ORHMAWCPMBQZLK-UHFFFAOYSA-N 337.364 2.734 30 50 EFEA CCOC(=O)C1CCN(CCCCOc2ccccc2C#N)CC1 6702661 PAFIUGHZSCZZJC-UHFFFAOYSA-N 330.428 2.992 30 50 EFEA C=C(C)COc1ccc(C(=O)N2CCC[C@H](CCC(N)=O)C2)cc1 55152997 YYDYXUVYQBTFND-OAHLLOKOSA-N 330.428 2.759 30 50 EFEA Cc1cccc([C@@H]2C[C@H]2C(=O)[C@H](C#N)C(=O)NCCCOC(C)C)c1 248114911 UMUYVXFOSKOUFD-KSZLIROESA-N 342.439 2.739 30 50 EFEA COCCC[C@]1(CO)CCCN(c2nc3c(cc2C#N)CCCC3)C1 92081872 CUKXHHLNFIADHC-HXUWFJFHSA-N 343.471 2.838 30 50 EFEA C[C@@H](CCc1ccccc1)NC(=O)N1CCCn2nc(C#N)cc2C1 534576753 SIPVXGJDXPVSHQ-HNNXBMFYSA-N 337.427 2.691 30 50 EFEA Cc1ccc([C@@H]2C[C@@H](C)N(S(=O)(=O)c3cccnc3C#N)C2)cc1 278400063 NQJWRDPOVNDNCN-GDBMZVCRSA-N 341.436 2.828 30 50 EFEA N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cnc2c(c1)C(=O)CCC2 1857532576 PJZJOAHOYNPNGY-SFHVURJKSA-N 331.375 2.890 30 50 EFEA C[C@H](c1cccc(C#N)c1)N1CCN(C[C@@H](O)CC(F)(F)F)CC1 225548599 QSIKRSFEJPYECE-CJNGLKHVSA-N 341.377 2.550 30 50 EFEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)Nc2ccc(F)cn2)cn1 328628953 OGDKWRCGXBEWEB-DZGCQCFKSA-N 333.367 2.683 30 50 EFEA CCC[C@H](C)c1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)n[nH]1 427263921 YDJUQKDCMFTINR-JTQLQIEISA-N 333.417 2.689 30 50 EFEA COc1cccc(C[C@H]2CN(C(=O)c3ccccc3C#N)CCO2)c1 71753539 BIDMPVMNURKJSZ-SFHVURJKSA-N 336.391 2.651 30 50 EFEA C#CCOc1ccc(CN[C@H]2C[C@H](OCC)C23CCOCC3)cc1 185651827 BAOISWPSYMJMLQ-OALUTQOASA-N 329.440 2.762 30 50 EFEA C=CCOC(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccco1 13124914 LBKSVJCHIHSHMK-NTCAYCPXSA-N 327.336 2.788 30 50 EFEA N#C[C@@H]1N(Cc2ncnn2-c2ccccc2)CCC[C@@]12CCCCO2 240278311 DQJSTNGEAUBVDN-HKUYNNGSSA-N 337.427 2.695 30 50 EFEA CCc1cc(N2CCC[C@H](/N=C(/O)[C@]3(C)CCC(O)=NC3)C2)ncn1 328586563 FUURFJPDGSUREO-KBXCAEBGSA-N 345.447 2.721 30 50 EFEA Cc1cc(C#N)nc(N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)n1 284952308 JUMNRPTWMZPSMI-SWLSCSKDSA-N 348.328 2.988 30 50 EFEA N#CCc1cccc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1 180150242 XCFHXBBHKXHZNC-CRAIPNDOSA-N 342.345 2.979 30 50 EFEA C=C1[C@@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O 98214422 VRVOLALMVUEAHP-OBUMVCGPSA-N 334.456 2.982 30 50 EFEA biogenic C[C@@H](CN1CCc2ccccc2C1)NCc1ccc(C#CCO)s1 952971729 MLSNNNPZKZHUBE-INIZCTEOSA-N 340.492 2.628 30 50 EFEA COc1ccc(/C=N/n2cnnc2)cc1CSc1ccccn1 5090847 GEECMCNKIWUESX-AWQFTUOYSA-N 325.397 2.856 30 50 EFEA CCOc1cc(/C=N/N2CCN(Cc3ccccc3)CC2)ccc1O 12561037 DJFJAVMDRWMJLC-RCCKNPSSSA-N 339.439 2.943 30 50 EFEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2ccc(F)c(C#N)c2)C1 888102550 ADUFGJRBXXJUJU-WBVHZDCISA-N 328.391 2.999 30 50 EFEA C#CCCC1(CCNC(=O)c2ncc(-c3cccc(OC)c3)cn2)N=N1 2325891618 QRIXRVZMOHEMDE-UHFFFAOYSA-N 349.394 2.848 30 50 EFEA C=CCNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1c1nc(Cc2ccccc2)n[nH]1 102042140 ILIDGTFDQFUWHQ-ONIAQPFYSA-N 336.439 2.827 30 50 EFEA CN1CCC(Cc2noc(-c3ccc(C#CC(C)(C)O)cc3)n2)CC1 67773303 ADHYZTNHJMQGKL-UHFFFAOYSA-N 339.439 2.743 30 50 EFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCOC[C@@H]1c1ccc(CC)o1 281841988 QZIGZXYGWFENIF-KYJSFNMBSA-N 348.443 2.906 30 50 EFEA N#Cc1cnc(N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cn1 128131043 ADTVRZDSFBRXOL-KGLIPLIRSA-N 334.301 2.679 30 50 EFEA CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cc(C#N)ccc1F 170604930 HXBYJTNBNOOEHV-UHFFFAOYSA-N 349.343 2.621 30 50 EFEA Cc1csc2c(N3CCN(c4ccc(C#N)cn4)CC3)ncnc12 192520685 YDRMADNZZWQPHN-UHFFFAOYSA-N 336.424 2.593 30 50 EFEA C#CCCC1(CCC(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)N=N1 2325886053 FLTVBISRKYJMPZ-UHFFFAOYSA-N 346.394 2.920 30 50 EFEA Cc1nn(C)c(C)c1-c1cc(-c2cnn(C)c2C2CC2)c(C#N)c(N)n1 71755425 JRLRGPNKNIIGMN-UHFFFAOYSA-N 347.426 2.831 30 50 EFEA COC[C@@H](/N=C(/O)N1CCC(c2cnc[nH]2)CC1)c1ccc(C)o1 328587766 HMHRZFRKHVDACV-OAHLLOKOSA-N 332.404 2.792 30 50 EFEA CC(C)c1noc([C@H](/N=C(/O)C2(O)CCCC2)C2CCOCC2)n1 328610482 HZDJNPKRWVKQGJ-CYBMUJFWSA-N 337.420 2.922 30 50 EFEA C[C@]12[C@H]3[C@@H]4[C@@H]5/C(=N/Nc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])[C@H]3[C@H]1[C@H]5[C@H]42 257346645 XMICSROKPRPLRR-JULOPLSESA-N 326.312 2.659 30 50 EFEA Cc1cccc([C@H](O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1 1875293531 UCIOHWSXVQKEPS-OALUTQOASA-N 336.391 2.500 30 50 EFEA C#CCOc1ccc(/C=C2/C(=O)N(CC)C(=S)N2C)cc1OCC 2818760 YEMZUYOEOHXHGI-KAMYIIQDSA-N 344.436 2.517 30 50 EFEA CC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccccc1OCC#N 2863779 PAXMJVOSFDDVON-IBGZPJMESA-N 347.374 2.943 30 50 EFEA C=C(C)COc1ccccc1C(=O)N[C@H](CC(=O)O)C(F)(F)F 55183258 MNKVJMRHAHTSTB-GFCCVEGCSA-N 331.290 2.777 30 50 EFEA C=CCOC(=O)Cn1c2c(s/c1=N/C(=O)c1ccccc1)CCC2 102265566 AFAAJQKXANUWAM-VHEBQXMUSA-N 342.420 2.509 30 50 EFEA Cc1ccccc1-c1cc(-c2cn(CCO)nc2C)c(C#N)c(N)n1 67974235 LGJUMMIYUBBDKH-UHFFFAOYSA-N 333.395 2.675 30 50 EFEA CC(C)Cn1ncc(N/C(O)=N/[C@@H]2C=C[C@H](CO)C2)c1C(F)F 328835262 MFLCDRJFLNSZTL-WDEREUQCSA-N 328.363 2.740 30 50 EFEA N#Cc1ccccc1N1CCCN(C(=O)[C@H]2C[C@H]2c2ccco2)CC1 230087351 GJBLYZABEIKAOJ-SJORKVTESA-N 335.407 2.994 30 50 EFEA N#CC1(C#N)[C@@H](c2ccncc2)O[C@@]23CCCC[C@H]2[C@@]1(C#N)C(=N)O3 206002506 KPADPFKCWHSRJR-IHETXDGRSA-N 333.351 2.590 30 50 EFEA C#CCCC1(CCC(=O)N[C@H](c2ccccc2)c2ccn(C)n2)N=N1 1875368799 QMHQJTMWSITIGM-GOSISDBHSA-N 335.411 2.981 30 50 EFEA COC(=O)c1cscc1N=C(O)N1CCC[C@H](n2cc(C)cn2)C1 328587210 HONUDUIGEYJDKC-LBPRGKRZSA-N 348.428 2.922 30 50 EFEA COCc1nc([C@@H]2CCCCN2Cc2ccc(C#N)c(F)c2)n[nH]1 338085708 BHXGDAUHHUKJFS-HNNXBMFYSA-N 329.379 2.689 30 50 EFEA Cc1ccc(C[C@@H](C#N)Sc2nnnn2CC(F)(F)F)cc1 132162272 CQLLAIXHZJFKKA-NSHDSACASA-N 327.335 2.771 30 50 EFEA CCCN1CC[C@@H](NC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 584892173 OMMAZGAAGIQHIW-GOSISDBHSA-N 340.471 2.738 30 50 EFEA CCCCc1c(C)nc(N/N=C/c2ccc(OC)cc2OC)[nH]c1=O 16512869 JBGLXKXVGUPYJR-YBFXNURJSA-N 344.415 2.884 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H]2CCN(c3ccccc3OC)C2)N=N1 952882409 VIZSWRCPFIJJIM-OAHLLOKOSA-N 340.427 2.746 30 50 EFEA CC#CC(=O)N(CC(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1875376922 NGGGQAYWXMXJCM-LBPRGKRZSA-N 348.365 2.800 30 50 EFEA CC(C)c1noc([C@@H](/N=C(/O)N=c2cc[nH]cc2)C2CCOCC2)n1 328641879 YEJPRFMPTJQSLL-AWEZNQCLSA-N 345.403 2.504 30 50 EFEA Cn1cncc1[C@H]1[C@H](/N=C(/O)C2CC=CC2)CCC(=O)N1C1CC1 329063586 ZWAOLMRHHHJXOV-RHSMWYFYSA-N 328.416 2.537 30 50 EFEA CCc1nnc2n1C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)CC2 363109836 FDIWABCLPAWMRW-JTQLQIEISA-N 336.321 2.553 30 50 EFEA N#CC1(C#N)[C@H](c2ccccn2)O[C@@]23CCCCC[C@@H]2[C@@]1(C#N)C(=N)O3 226829346 WZTBGWGNYMAMTR-LVFSCSRESA-N 347.378 2.981 30 50 EFEA CC1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 230536344 FVBPXUMVAHCQPX-UHFFFAOYSA-N 329.249 2.858 30 50 EFEA CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC#N)C1 408520058 WMCYEZSBMDVGBB-CABCVRRESA-N 335.448 2.928 30 50 EFEA CC(C)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 169743601 CSORKGLMGUQQOY-UHFFFAOYSA-N 330.281 2.516 30 50 EFEA in-vitro OCC[C@H]1CN(CC#Cc2ccccc2)CCN1Cc1ccccc1 19792645 LVWGNTUWXDDFBC-QFIPXVFZSA-N 334.463 2.607 30 50 EFEA C=CCN1CCN(C(=O)[C@@H](C)Oc2cccc(C(F)(F)F)c2)CC1 20311787 UZCHQRRYJRMSAQ-CYBMUJFWSA-N 342.361 2.803 30 50 EFEA Cc1ccsc1[C@@H]1CCN(Cc2cc(C#CCO)cs2)C[C@H]1O 65535260 GODVMQAGVIOUMM-IAGOWNOFSA-N 347.505 2.812 30 50 EFEA C#CCCCCC(=O)Nc1ncc(F)cc1I 121449793 XDBAWJMJTMOZJK-UHFFFAOYSA-N 346.143 2.957 30 50 EFEA C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]1/C=C/c1ccccc1 253396970 AWSSPTWHYYQBCY-RAUBDSNISA-N 333.457 2.500 30 50 EFEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)[C@@H](O)CO 257358958 XNFSGLNHLVHCFT-SVMVYQPLSA-N 348.483 2.603 30 50 EFEA CCOc1cc(/C=N/n2c(S)nnc2-c2cccnc2)ccc1O 5906154 ANGBTSMQJMNSQJ-GIJQJNRQSA-N 341.396 2.615 30 50 EFEA CC[C@H]1C[C@@H](CC(=O)Nc2ncc3c(c2C#N)COCC3)CCO1 863947310 SLBHVJCKFLVUOA-JSGCOSHPSA-N 329.400 2.560 30 50 EFEA COc1cc(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2OC)ccc1C#N 344612642 ZIFYAKDHEZDGFO-KURKYZTESA-N 330.428 2.583 30 50 EFEA CCn1c([C@@H](C)N[C@@H](C(N)=O)c2ccc(C#N)cc2)nc2ccccc21 119428250 YFPINJBQNOONOT-FZKQIMNGSA-N 347.422 2.805 30 50 EFEA C/N=C(/O)[C@@H]1CN(CCCCCC/N=C(/O)OC(C)(C)C)CCO1 328596160 VKQHBKGEPVBKJE-AWEZNQCLSA-N 343.468 2.563 30 50 EFEA CN(C[C@H](c1cccs1)N1CCOCC1)c1ccc(C#N)nc1 267333036 CDIGZRVZGULAFE-MRXNPFEDSA-N 328.441 2.524 30 50 EFEA CC(=O)ON=C1/C(=C/c2ccccc2OC(C)=O)N2CCC1CC2 245380707 IIZBVAFXCYXRCZ-DSGQZADNSA-N 328.368 2.598 30 50 EFEA CN(Cc1nccs1)[C@H]1CC12CCN(c1ncccc1C#N)CC2 275701410 NGUFXVFCLURBFN-HNNXBMFYSA-N 339.468 2.901 30 50 EFEA COC(=O)c1cc(OCC(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 169905062 KTHUYYIYKYRAHX-UHFFFAOYSA-N 334.221 2.807 30 50 EFEA in-vitro CC(C)(O)C#Cc1ccc(C(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C32CC2)o1 209973696 MHBWOKMATOMSCQ-DZKIICNBSA-N 325.408 2.734 30 50 EFEA Cc1cccc(C(=O)N2CCCN(c3nc(C)ccc3C#N)CC2)c1 160480598 LRFWQUKEXRBLOX-UHFFFAOYSA-N 334.423 2.923 30 50 EFEA CC(=O)N1C[C@H](NC(=O)C2(C#N)CCCCC2)CC[C@@H]1C(F)(F)F 886036574 WVTCWMQBQIVJHU-CHWSQXEVSA-N 345.365 2.518 30 50 EFEA N#Cc1ccc(C(=O)N2CCC[C@H](N3CCCCCC3)C2)cc1O 225497240 SBABKBDFPXDOOG-KRWDZBQOSA-N 327.428 2.744 30 50 EFEA C=C(C)COc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)cc1 55226564 PRRVJBZDRRRJCP-OALUTQOASA-N 344.455 2.625 30 50 EFEA COC(=O)CCC/C=C1/SC[C@@H](NC(=O)c2ccccc2)/C1=N\O 100282620 CLTIGQMRSNRISD-SCEVQSGVSA-N 348.424 2.589 30 50 EFEA O/C(CCCc1ccccn1)=N/[C@@H]1CCCN(c2nccnc2O)C1 328630115 JAQFBWLTCNJCHB-OAHLLOKOSA-N 341.415 2.525 30 50 EFEA N#C[C@@H]1COCCN1C(=O)c1cc(-c2ccccn2)ccc1Cl 178823077 QUOGUTQDVSGRLU-CYBMUJFWSA-N 327.771 2.767 30 50 EFEA C=CCc1cc(C(=O)N2CC[C@]3(OC)CC[C@H](O)C[C@H]23)ccc1OC 299790263 BNSUHMTXTOTRRJ-XKGZKEIXSA-N 345.439 2.568 30 50 EFEA C#CCOc1ccc(CN[C@@H]2C[C@H](OCC)C23CCOCC3)cc1 185651866 BAOISWPSYMJMLQ-MOPGFXCFSA-N 329.440 2.762 30 50 EFEA CN(Cc1cccnc1)C[C@H]1CCN(Cc2cc(C#N)cs2)C1 190488363 OEEYEIMPSOQPIO-MRXNPFEDSA-N 326.469 2.969 30 50 EFEA COc1ccc(OC)c(NC(=NC(C)=O)Nc2nc(C)cc(C)n2)c1 15985214 POMPDLGXCLLJET-UHFFFAOYSA-N 343.387 2.537 30 50 EFEA CN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)c1cccc(C#N)c1 253425770 DRSAPXWMDREFIV-UHFFFAOYSA-N 327.347 2.892 30 50 EFEA C#CCCC1(CCNC(=O)C[C@H](c2nccn2C)C(F)(F)F)N=N1 2325891675 VHNLKLYMPIURFO-LLVKDONJSA-N 341.337 2.538 30 50 EFEA C#CCCC1(CCC(=O)N2CC(c3cc4n(n3)CCCC4)C2)N=N1 2325891966 PKQXUIHAQIYBNQ-UHFFFAOYSA-N 325.416 2.501 30 50 EFEA CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1 51951670 GOVYBPLHWIEHEJ-UHFFFAOYSA-N 335.407 2.797 30 50 EFEA in-vitro CS(=O)(=O)[C@H]1CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 274693273 KPSCZYYJHVBJBR-NSHDSACASA-N 332.347 2.590 30 50 EFEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2C(=O)Nc1ccc(F)c(F)c1 12384436 IZGLWCWPQNCQEF-SNVBAGLBSA-N 348.349 2.683 30 50 EFEA CCOc1ccc(S(=O)(=O)/N=C(/c2ccccc2)N(C)C)cc1 18081529 QIFLSIVNRTZHRN-ZCXUNETKSA-N 332.425 2.782 30 50 EFEA N#Cc1ccc(CCC(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)cc1 348251914 AGCWUFIJTRMGEO-OALUTQOASA-N 338.382 2.964 30 50 EFEA N#CC1(C#N)[C@@H](C2CCCCC2)OC2=C(CCCC2)[C@]1(C#N)C(N)=O 257540580 WVSCFTXQOWMCAZ-VQIMIIECSA-N 338.411 2.822 30 50 EFEA Cc1c(Cl)cnc(NCc2cc(O[C@@H]3CCNC3)ccn2)c1C#N 818627543 BIKLYXDCPPPHCF-CQSZACIVSA-N 343.818 2.663 30 50 EFEA N/C(=N/c1ccccc1)S[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 17859403 ANVRIWSJMGQPAF-AWEZNQCLSA-N 343.383 2.837 30 50 EFEA Cc1cccc(CC/C(O)=N/C2CCN([C@@H]3CCN(C)C3=O)CC2)c1 328591727 APXFITVLAVBEBD-GOSISDBHSA-N 343.471 2.579 30 50 EFEA CCc1cc(N2CCC[C@H](/N=C(/O)[C@@]3(C)CCC(O)=NC3)C2)ncn1 328586564 FUURFJPDGSUREO-KSSFIOAISA-N 345.447 2.721 30 50 EFEA C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)c2ccccc2C(=O)N1 360657710 OXIYBKHLSJOMGS-CQSZACIVSA-N 333.391 2.656 30 50 EFEA C=CCN1CC2(CCC1=O)CCN(c1cccc([C@@H](C)O)n1)CC2 91746339 TWKRMOBFXIWYDN-OAHLLOKOSA-N 329.444 2.530 30 50 EFEA C#CCN(CC=C)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 15073916 LPEWRCOCQJBMLN-UHFFFAOYSA-N 348.328 2.607 30 50 EFEA Cc1nc(N[C@H]2CCO[C@@H]2c2cn(C)nc2C)c(Cl)cc1C#N 886066119 XHTYEKOEHIVEAO-LSDHHAIUSA-N 331.807 2.899 30 50 EFEA C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC 4084000 OGIFJOLIUXVETI-HNNXBMFYSA-N 332.425 2.607 30 50 EFEA N#Cc1ccccc1NC(=O)CSc1nnnn1C1CCCCC1 4487750 RJOQPTSVJVHGDD-UHFFFAOYSA-N 342.428 2.781 30 50 EFEA O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccc1)c1ccccc1 4815963 SIGRKHFIAKDQIG-QGZVFWFLSA-N 337.375 2.647 30 50 EFEA C=CCOc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 10315272 MPPMRMKGIXOAHP-UHFFFAOYSA-N 346.408 2.875 30 50 EFEA COc1ccc2c(c1OC)Cc1c-2nc(N)c(C#N)c1[C@@H]1CCOC1 71764838 QCEYKWPOJOHLCU-SNVBAGLBSA-N 337.379 2.628 30 50 EFEA N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)CCCc1ccccc1 4600132 ADORDKVBSCNMHZ-UHFFFAOYSA-N 341.367 2.976 30 50 EFEA C=C(C)Cn1nc([C@@H](C)O)nc1-c1cccc(N2CCCC2=O)c1 1857667269 ZHSFRFHCIRCBOS-CYBMUJFWSA-N 326.400 2.701 30 50 EFEA CC/N=C1\S[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1CC 100633728 XAAPWLPKAVIJAU-DNZUHHBVSA-N 347.440 2.558 30 50 EFEA CC#CCNC(=O)Nc1sc(CC(F)(F)F)nc1C(=O)OCC 1875275291 QANPKZXZMJSWCL-UHFFFAOYSA-N 349.334 2.569 30 50 EFEA C=C(C)CN1CCC(NC(=O)N[C@H]2CCOC23CCCCC3)CC1 892851695 NYHWRLVULPYTRN-KRWDZBQOSA-N 335.492 2.818 30 50 EFEA Cc1nc(C#N)c(N(C)CCc2noc(-c3ccc(F)cc3)n2)o1 1857799514 HRPSRALPBCEHKQ-UHFFFAOYSA-N 327.319 2.723 30 50 EFEA CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C)cc1 6493594 XFQVKRDSAHPEEL-KRWDZBQOSA-N 336.391 2.961 30 50 EFEA C[N+]1(Cc2ccccc2)[C@H]2CC[C@H]1C(=O)N(Cc1ccccc1)C2=O 101042639 DMDDSFBWTOPMGN-OALUTQOASA-N 335.427 2.733 30 50 EFEA CC(C)c1cc(C2CCN(C(=O)C3=CC(=O)CC(C)(C)O3)CC2)[nH]n1 67673955 BAWVDVSCFDSRPF-UHFFFAOYSA-N 345.443 2.891 30 50 EFEA Cc1cc(N2CC[C@H](CN(C)Cc3cccnc3)C2)c(C#N)c(C)n1 328637296 ONYXZHJZWDHNPH-GOSISDBHSA-N 335.455 2.923 30 50 EFEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCCN(C2CCCC2)CC1 253426024 FKLZDXWZWDHBTG-FUHWJXTLSA-N 335.492 2.628 30 50 EFEA N#Cc1ccc(C(=O)N2CCC[C@@H](Cn3cnc4ccccc43)C2)cn1 373735186 FZYSMCXIHUYLLW-OAHLLOKOSA-N 345.406 2.855 30 50 EFEA N#Cc1ccc(N2CCC(c3nccn3Cc3cccnc3)CC2)nc1 91965119 OZGZSCIOQXFWAB-UHFFFAOYSA-N 344.422 2.977 30 50 EFEA C=C(C)C[C@@H]1N(c2cccc(C)c2)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 239306079 GJPFCLSDILVNOY-QRXRQMIZSA-N 339.391 2.701 30 50 EFEA C#CCCC1(CCC(=O)NC2CCN(c3ccccn3)CC2)N=N1 952880057 BJKMEZRSOXXYLU-UHFFFAOYSA-N 325.416 2.522 30 50 EFEA C#CC1(O)CCN(C(=O)NCCc2ccc(Cl)cc2Cl)CC1 952963059 CDWAFPKQYUWXEI-UHFFFAOYSA-N 341.238 2.706 30 50 EFEA N#Cc1ccc(-n2nnnc2Sc2cc(=O)oc3ccccc23)cc1 2325844111 YXHNWTNOKQIQJO-UHFFFAOYSA-N 347.359 2.792 30 50 EFEA C=C(C)C[C@@H]1N(c2ccc(F)cc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 3903718 WOALJGRKQHMPHP-LAIHZFQQSA-N 343.354 2.532 30 50 EFEA O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)s2)cc1 2789378 WMQVSZKHAKPERX-NTUHNPAUSA-N 345.789 2.622 30 50 EFEA N#Cc1cc(C(=O)N2CCC[C@@H](Oc3ccc(Cl)cn3)C2)c[nH]1 367733737 YBLVMRRDZPDSMK-CQSZACIVSA-N 330.775 2.618 30 50 EFEA COC(OC)c1csc([B-](OC(C)C)(OC(C)C)OC(C)C)n1 216703564 UDJFAVGXEGDSNV-UHFFFAOYSA-N 346.278 2.855 30 50 EFEA CO[C@@]12CC[C@H](OCC3CC3)C[C@@H]1N(c1cccc(C#N)n1)CC2 426722659 PXKXTUQEIAGJRX-JENIJYKNSA-N 327.428 2.896 30 50 EFEA C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C 257359165 YVMJVRXYBPUPKF-CAYFNDFTSA-N 328.452 2.853 30 50 EFEA C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCN(C)C3(CCN(C)CC3)C1)C2 71297184 IUGRITTUNIQNJY-DYESRHJHSA-N 345.531 2.607 30 50 EFEA C[C@H](NCC#Cc1ccc(F)cc1)c1cccc(NS(C)(=O)=O)c1 119025317 AKZICPBEGWQUCS-AWEZNQCLSA-N 346.427 2.900 30 50 EFEA N#C[C@@H]1CN(Cc2cccc(F)c2F)C[C@]12C(=O)Nc1ccccc12 369523012 VQKNEENKIUMDFF-YJYMSZOUSA-N 339.345 2.810 30 50 EFEA CNC(=O)c1ccc([C@H]2CCCCN2Cc2cccc(C#N)c2)n1C 328623636 CAEUCFJZFOUTAP-GOSISDBHSA-N 336.439 2.984 30 50 EFEA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1ncccc1C#N 328633319 SLSCJMGSJDYRNO-LLVKDONJSA-N 335.333 2.867 30 50 EFEA CC(C)N(C(=O)[C@H](C)O/N=C(\N)CN1[C@@H](C)CCC[C@@H]1C)C(C)C 253431568 WJLSUDDCXKYBDG-JYJNAYRXSA-N 340.512 2.572 30 50 EFEA COc1cccc([C@H]2O[C@@]3(C)OC(=N)[C@@](C#N)([C@H]3C)C2(C#N)C#N)c1 239135374 LDVUBUDWDJEHNC-LSJNVOPQSA-N 336.351 2.670 30 50 EFEA COc1ccccc1OCC[N+]1C(=O)C(=NO)c2cc(Cl)ccc21 343516881 HWHDYGDGCOJMJT-UHFFFAOYSA-N 346.770 2.918 30 50 EFEA COc1cccc(-n2cc([C@H](C)NC(=O)c3ccc(C#N)nc3)cn2)c1 244691028 JBJOBQWJOJTKII-ZDUSSCGKSA-N 347.378 2.639 30 50 EFEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NC1CC1)C2 14540512 CZHUXHJJJYQGKD-MRXNPFEDSA-N 342.487 2.695 30 50 EFEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(O)=Nc1ccccn1 328619739 GDLDNJHSZJUKRA-RDJZCZTQSA-N 325.416 2.647 30 50 EFEA CC(C)[C@]1(C(=O)O)C[C@H]1C(=O)NC(C)(C)Cc1ccc(C#N)cc1 899834798 LDIZCMIHDANSED-HNAYVOBHSA-N 328.412 2.742 30 50 EFEA C#CCCC1(CCC(=O)NCC(=O)OCc2ccc(Cl)cc2)N=N1 2325892712 YFDFHCRDFRZWEQ-UHFFFAOYSA-N 347.802 2.855 30 50 EFEA C#CCCC1(CC(=O)N[C@@H](CCc2ccccc2)C(=O)OCC)N=N1 2325900207 OYHBXECLGOZTHW-INIZCTEOSA-N 341.411 2.633 30 50 EFEA COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O 4956733 UPCLQWFMKFHQAU-OVCLIPMQSA-N 332.272 2.663 30 50 EFEA CN(C)CCC1CCN(c2cc(C#N)c(C#N)cc2[N+](=O)[O-])CC1 4628951 BGLGTUKDARGOME-UHFFFAOYSA-N 327.388 2.506 30 50 EFEA COc1cc(/C=C/C(=O)c2c(C)nn(C)c2C)cc(OC)c1OC 6920992 UIWQFIOMYPOOSI-BQYQJAHWSA-N 330.384 2.959 30 50 EFEA N#C[C@@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc23)CCN1C1CC1 371621272 GIYCZHNHXJUFBY-MRXNPFEDSA-N 346.434 2.925 30 50 EFEA N#CC1(C#N)[C@@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@H](c1ccncc1)O3 239287465 CVUIEDKBCHRKOC-LBTBCDHLSA-N 333.351 2.590 30 50 EFEA C=CCN(C(=O)c1cccc2cc(C)oc12)[C@H]1CCS(=O)(=O)C1 952873091 GCLNSHKICZNEIO-AWEZNQCLSA-N 333.409 2.557 30 50 EFEA COc1ccccc1[C@H](C#N)NC(=O)c1noc2c1CCCCC2 134190808 BYQDATBTYSPZHD-AWEZNQCLSA-N 325.368 2.947 30 50 EFEA CC1(C)OB(c2cc(C(=O)NCc3ccco3)ccc2F)OC1(C)C 170004235 OBKDKFSTWUGKIF-UHFFFAOYSA-N 345.179 2.648 30 50 EFEA N#Cc1cccc([C@H]2CN(c3cc(C#N)ccc3[N+](=O)[O-])CCO2)c1 328588114 UGWJXJKBJUSGFS-GOSISDBHSA-N 334.335 2.916 30 50 EFEA Cn1cc([C@H]2OCC[C@@H]2C(O)=Nc2nc(C(F)(F)F)co2)cn1 328596728 VCTPQTUQZSTCPH-WCBMZHEXSA-N 330.266 2.793 30 50 EFEA CCC(C)(C)c1cc(-c2ccc(OCC(N)=O)cc2)c(C#N)c(N)n1 71711901 GXEDKWACOJYYRW-UHFFFAOYSA-N 338.411 2.754 30 50 EFEA C=CCN1C[C@@H](C(=O)NCC(c2ccccc2)c2ccccc2)CC1=O 820474831 KFBCJCXQCJGLQD-IBGZPJMESA-N 348.446 2.969 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H]2CCN(c3ccccc3F)C2)N=N1 952880727 HQEOREJBENIMKY-CQSZACIVSA-N 328.391 2.876 30 50 EFEA C=CCN(Cc1ccc(C)s1)C(=O)C(=O)Nc1nc(C)cs1 55326145 IHVSEGDAXVMWAB-UHFFFAOYSA-N 335.454 2.975 30 50 EFEA O=C1C(Oc2ccccc2)=C(N2CCOCC2)C(=O)c2ccccc21 23549923 RVZYJNXEMNSNIO-UHFFFAOYSA-N 335.359 2.688 30 50 EFEA COC(=O)c1cc(OC(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 170004288 ZLRXOXQZCJJTPZ-UHFFFAOYSA-N 346.110 2.671 30 50 EFEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cn(CC)nc1C(F)(F)F 281358665 KQTAVGIUWFEJHA-JQWIXIFHSA-N 331.338 2.633 30 50 EFEA Cc1cccnc1C[C@@H](C)NC1CCN(c2ccc(C#N)cn2)CC1 95504416 WHBWPGZEHMBAMR-MRXNPFEDSA-N 335.455 2.846 30 50 EFEA N#Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3CC3CCC3)C2)cn1 95392321 IZVCOWDFMHWIML-QGZVFWFLSA-N 349.438 2.970 30 50 EFEA N/C(=N/OC(=O)CSc1ccccc1)c1ccc([N+](=O)[O-])cc1 18161881 FXSDYUXIDOAUCM-UHFFFAOYSA-N 331.353 2.551 30 50 EFEA C#CCCC1(CCC(=O)N2CCC3(CCCC3)C[C@H]2C(=O)O)N=N1 2325900640 CWCKBCHYPQLILB-AWEZNQCLSA-N 331.416 2.978 30 50 EFEA Cn1ccnc1C(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 245915024 FFUSCMCEDZLZGD-BFHYXJOUSA-N 327.771 2.769 30 50 EFEA CN(C)C(=O)On1c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc21 1389417 KWMPRXPVHMTRIS-UHFFFAOYSA-N 326.312 2.722 30 50 EFEA Cc1n[nH]c(C)c1-c1cc(-c2ccc(C(=O)O)cc2)c(C#N)c(N)n1 72133640 HYVGWXCOFBWWNG-UHFFFAOYSA-N 333.351 2.908 30 50 EFEA Cc1ccncc1N=C(O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 328648017 UGKAAOOSSYVVNL-KRWDZBQOSA-N 339.443 2.784 30 50 EFEA N#Cc1ccccc1COc1cccc(C(=O)N2C[C@@H](O)C3(CC3)C2)c1 364466379 QGMCXXNRPVLNFI-LJQANCHMSA-N 348.402 2.734 30 50 EFEA COc1ccc(CN[C@@H](c2nc(C)no2)C2CCOCC2)cc1C#N 1775958884 RLOGJCNCWMXVPX-QGZVFWFLSA-N 342.399 2.516 30 50 EFEA COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccc1F 6786291 LOZDEKYEGSFUHD-OAHLLOKOSA-N 345.326 2.643 30 50 EFEA CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccccc2OCC#N)C1 109112755 ICARFAXGLDCVKH-MRXNPFEDSA-N 335.407 2.722 30 50 EFEA CCCNc1sc(C(=O)c2ccc3c(c2)OCO3)c(N)c1C#N 67601963 DFCZHTMQTJPFTA-UHFFFAOYSA-N 329.381 2.984 30 50 EFEA Cc1ccc(C#N)c(-c2cccc(-c3ccn(CC(=O)N(C)C)n3)c2)n1 20535997 GLHFGOKFKHONSS-UHFFFAOYSA-N 345.406 2.880 30 50 EFEA COc1cccc(/C=N/n2c(SC)nnc2C(F)F)c1OC 2790800 GWESQICYMUGDQC-FRKPEAEDSA-N 328.344 2.837 30 50 EFEA O/C(CCc1nccs1)=N/C1CCN([C@@H]2CCCC[C@H]2O)CC1 328963861 RJSRZXLGYIXYHA-HUUCEWRRSA-N 337.489 2.800 30 50 EFEA N#Cc1ccc(N2CCN(Cc3ccc4ccccc4n3)CC2)nc1 172415869 CKJQYLJJIIULDV-UHFFFAOYSA-N 329.407 2.824 30 50 EFEA N#Cc1ccc(O[C@@H]2CCN(Cc3nc4ccc(F)cc4o3)C2)nc1 370731404 WKCNOLFFWCOFHU-CQSZACIVSA-N 338.342 2.887 30 50 EFEA Cc1noc([C@@H]2CCCCN2C(=O)Nc2snc(C)c2C#N)n1 333915503 ZDBMRVFDLLXOLQ-NSHDSACASA-N 332.389 2.774 30 50 EFEA C[C@@H](CC#N)NC(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1 284529098 WQOPXTOGBKIMFO-JTQLQIEISA-N 340.786 2.739 30 50 EFEA N#CC1(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)CCCC1 174822644 WYRPAKZEZHWOLK-OAHLLOKOSA-N 326.318 2.637 30 50 EFEA N#Cc1ccc2nc(N[C@H]3CCCN(c4ncccn4)C3)ccc2c1 179889651 WJWPFJZWFVNWLO-INIZCTEOSA-N 330.395 2.977 30 50 EFEA CC(C)c1nnsc1CN1CCN(c2ccccc2C#N)CC1 244872989 WHZORFDGLHKMRN-UHFFFAOYSA-N 327.457 2.855 30 50 EFEA N#Cc1cc(Br)ccc1N1CC[C@](O)(C(F)(F)F)C1 181506103 NVGHPSPTOSGNFA-LLVKDONJSA-N 335.123 2.824 30 50 EFEA N#Cc1c[nH]c(C(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)c1 952987030 NDQXQZWXJAPKEW-QGZVFWFLSA-N 339.395 2.587 30 50 EFEA C#CCOc1ccc(CN[C@@H]2C[C@@H](OCC)C23CCOCC3)cc1 185651845 BAOISWPSYMJMLQ-RTBURBONSA-N 329.440 2.762 30 50 EFEA N#Cc1cc(-c2nc(-c3cccnc3OCC(F)F)no2)ccn1 346877483 FGQWMCQIKVIDSI-UHFFFAOYSA-N 329.266 2.709 30 50 EFEA CCCN(C)C[C@@H]1CCN(c2nc(Br)ccc2C#N)C1 952994118 QAUPXGDMQRROPH-LBPRGKRZSA-N 337.265 2.884 30 50 EFEA CN(C)Cc1cc(O[C@H]2CCN(c3cccc(F)c3C#N)C2)ccn1 886046126 GYLGFNRBITYOLW-INIZCTEOSA-N 340.402 2.812 30 50 EFEA CN(CCC#N)C(=O)COc1ccc(Br)cc1Cl 2860657 LBCKDMSITWANSS-UHFFFAOYSA-N 331.597 2.853 30 50 EFEA N#Cc1c(N)nc2sc3c(O)cc(=O)[nH]c3c2c1-c1ccccc1 4945465 RJJJYOMUQUUMRO-UHFFFAOYSA-N 334.360 2.964 30 50 EFEA COc1ccccc1N1CC[C@H](Sc2cc(C#N)ccn2)C1=O 121653458 IYUYVMQATSAZDV-HNNXBMFYSA-N 325.393 2.859 30 50 EFEA COCc1csc(N=C(O)N2CCCC[C@H]2c2ccnn2C)n1 328588253 MREYWJBSUHAMOU-ZDUSSCGKSA-N 335.433 2.796 30 50 EFEA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2cc(C#N)cs2)cn1 328653501 WWXYFGPORHVSSP-ZBFHGGJFSA-N 329.429 2.786 30 50 EFEA Cc1cccc2c1[nH]c1nc(N/N=C\c3ccc(O)c(O)c3)nnc12 32608650 OMYFJRIZLUBDFJ-LSCVHKIXSA-N 334.339 2.672 30 50 EFEA N#CCOc1ccccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 282196098 SOHARYIOLPKBAV-USXIJHARSA-N 328.412 2.745 30 50 EFEA N#CCC[C@@H](C#N)CN1CCN(c2c(C#N)cnc3ccccc23)CC1 131289817 PISWBJUEXOXBKL-INIZCTEOSA-N 344.422 2.672 30 50 EFEA Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H](c3ccn[nH]3)C2)c(C#N)c1C 229220525 RAGPDDWRNSKHKR-GXTWGEPZSA-N 341.415 2.698 30 50 EFEA N#Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c(F)c1 299766700 KQCLQEINNBDICL-CQSZACIVSA-N 344.390 2.564 30 50 EFEA CCOC(=O)/C(=C/c1c(C)n(C)c2ccc([N+](=O)[O-])cc12)C(C)=O 283143 ZCGLQZOKVZMGPE-NTEUORMPSA-N 330.340 2.930 30 50 EFEA Oc1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1 5999434 IGUDDBQOLSJVMA-LICLKQGHSA-N 326.381 2.734 30 50 EFEA C[C@H]1CCc2c(sc(NC(=O)C(=O)NCc3ccco3)c2C#N)C1 2882204 WUKRIAWNKPTBKN-JTQLQIEISA-N 343.408 2.592 30 50 EFEA aggregator C=CCn1cc(CN2CCO[C@H](Cc3cccc(OC)c3)C2)c(C)n1 20450327 IGJGSAZJJMDHGY-HXUWFJFHSA-N 341.455 2.830 30 50 EFEA Cn1nccc1[C@H]1CCCCN1/C(O)=N/CCc1cccc(C#N)c1 328588155 XBVIFOMYMQSPDY-GOSISDBHSA-N 337.427 2.975 30 50 EFEA CCc1ncc(/C(O)=N/[C@@H](c2nc(C(C)C)no2)C2CCOCC2)[nH]1 328613138 QVYLGJHTGBMIFS-CQSZACIVSA-N 347.419 2.951 30 50 EFEA CCOC(=O)[C@]1(C)[C@H](C)CCC[C@]1(O)C#CCO[C@@H]1CCCCO1 43762343 CVILZSNPLPWYFS-FPAYPSAMSA-N 338.444 2.654 30 50 EFEA COc1ccc2[nH]c(CNCc3cc(C#CCO)cs3)cc2c1 952982071 WEQSJMMCVAKFCP-UHFFFAOYSA-N 326.421 2.872 30 50 EFEA C=C(C)COc1ccccc1NC(=O)CC[C@@H](C)N1CCN(C)CC1 952961718 YPOQLYDROZWRBF-QGZVFWFLSA-N 345.487 2.996 30 50 EFEA C=CCNC(=O)c1ccc(NC[C@@](C)(O)c2ccc(F)cc2F)nc1 301256081 FOQYWMFUIBIAIC-GOSISDBHSA-N 347.365 2.595 30 50 EFEA COc1ccc(NC(=S)N/N=C/c2ccc(O)c(OC)c2)cc1 71741 RQGAKBBNTVUNEU-LICLKQGHSA-N 331.397 2.730 30 50 EFEA Cc1ncc(CO)c(/C=N/N=C/c2c(O)ccc3ccccc23)c1O 3003542 PIKLSOWDNHWDHA-VGENTYGXSA-N 335.363 2.900 30 50 EFEA C=CCOC(=O)c1cc(C(=O)OCC=C)cc(C(=O)OCC=C)c1 2166872 VOSUIKFOFHZNED-UHFFFAOYSA-N 330.336 2.715 30 50 EFEA in-vitro C[C@H]1CCN(c2ccc(F)cc2F)CCN1c1cnc(C#N)cn1 952995216 DZAGRZIXBFJYOB-LBPRGKRZSA-N 329.354 2.732 30 50 EFEA N#C[C@@H]1CC(F)(F)CN1C(=O)c1nn(-c2ccccc2)c2c1CCC2 1875367953 CWXIFEUYPPBGOP-ZDUSSCGKSA-N 342.349 2.734 30 50 EFEA CC[C@@H]1CCCC[C@H]1NC(=O)NS(=O)(=O)c1ccccc1C#N 1875328503 VRACUGGZYXMCQU-TZMCWYRMSA-N 335.429 2.515 30 50 EFEA N#C[C@@H]1CCC[C@@H](NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)C1 225356603 YASLPYBCLVCVKP-KYOSRNDESA-N 336.819 2.817 30 50 EFEA N#Cc1ccc(OC(=O)c2ccc3nnc(C(F)F)n3c2)c(F)c1 157935750 GYVKSHILTIGWFL-UHFFFAOYSA-N 332.241 2.897 30 50 EFEA Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 252428501 IKZCSAPFNLJAJB-QRNHIYTJSA-N 345.402 2.863 30 50 EFEA C=C(C)Cc1c(C)nn(CCC(=O)N[C@@H](CO)c2ccccc2)c1C 252572396 ZFNBQSLXXKJJOB-IBGZPJMESA-N 341.455 2.858 30 50 EFEA C[C@@]1(c2cccnc2)NC(=O)N(Cc2ccc(Cl)cc2C#N)C1=O 185377133 LLOGSSGKRIXOGO-KRWDZBQOSA-N 340.770 2.574 30 50 EFEA CCCC(=O)Nc1ccc(C(=O)Cn2ccc(C)c(C#N)c2=O)cc1 163841417 ZITFZNJVSXVGER-UHFFFAOYSA-N 337.379 2.650 30 50 EFEA C=C1[C@H]2CC[C@@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(CCC[C@@]4(C)CN(CC)[C@@H]15)[C@H]3[C@@H]2O 238809293 OVXLNQAYPUEDSI-ZHWOPACKSA-N 343.511 2.821 30 50 EFEA biogenic C#CCCC1(CCC(=O)Nc2nc3c(OC)cccc3n2C)N=N1 952880410 GFXFJVGXZGKWRA-UHFFFAOYSA-N 325.372 2.876 30 50 EFEA CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(c2ccc(C#N)c(Cl)c2)C1 1775956941 CTLYOSPLPDQIQE-HIFRSBDPSA-N 343.818 2.716 30 50 EFEA C#CCCC1(CCC(=O)N2CCN[C@@H](Cc3ccc(F)cc3)C2)N=N1 2325892268 GZNCVIBYYJNDEL-KRWDZBQOSA-N 342.418 2.524 30 50 EFEA C#CCCC1(CCNC(=O)C[C@@H]2CC[C@@H](C(F)(F)F)N(C)C2)N=N1 2325900130 LXJVGULZSIAHST-STQMWFEESA-N 344.381 2.731 30 50 EFEA COc1ccc(C(=O)CSc2nc(N)nc(SC)c2C#N)cc1 2262228 IPNNYCZSLAJWGS-UHFFFAOYSA-N 346.437 2.636 30 50 EFEA aggregator C[C@H](NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(C#N)cc1 222154422 YVZKSRQQUGCBRF-ZLGUVYLKSA-N 335.451 2.844 30 50 EFEA CCCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1OCC 170004425 YFANZBXYZRCIBB-UHFFFAOYSA-N 347.264 2.914 30 50 EFEA Cn1c([C@H]2CCCN2C/C(O)=N/C2CCOCC2)nc2c1CCCC2 328626058 DTXSEYXCZRKSJE-QGZVFWFLSA-N 346.475 2.571 30 50 EFEA C=CCNC(=O)c1cccc(-c2noc([C@@](C)(OC)C3CC3)n2)c1 291119642 URTCUQLYGIYRHH-SFHVURJKSA-N 327.384 2.924 30 50 EFEA CC1(C)COc2c(C(=O)[C@@H](C#N)C(=O)NCc3ccccc3)cccc21 408515080 FAYJVVUTOOTPFJ-MRXNPFEDSA-N 348.402 2.995 30 50 EFEA Cc1ccc(NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)nc1C#N 195576758 ZQCVZRNXELIWHF-KRWDZBQOSA-N 334.423 2.765 30 50 EFEA CC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Br)ccc1O 22590663 KDKFDEALJDDIIV-CYBMUJFWSA-N 339.189 2.714 30 50 EFEA C=CCC[C@@H](CN(C)Cc1cccnc1)Oc1cc(OC)ncn1 67849855 MIUKWINPCQWAHH-INIZCTEOSA-N 328.416 2.726 30 50 EFEA Cc1nsc(N2CCCN(C(=O)c3ccsc3)CC2)c1C#N 253415236 KLVHHFVNKXJUEL-UHFFFAOYSA-N 332.454 2.737 30 50 EFEA Cc1noc([C@H](/N=C(/O)c2cc3occc3[nH]2)C2CCOCC2)n1 328614635 WKXOEMDKYCOLPB-CQSZACIVSA-N 330.344 2.925 30 50 EFEA Cc1ccc(-c2nc(N)c(C#N)c(-c3cn(CCO)nc3C)c2C)o1 71748337 GSVOXBXUKRCVCH-UHFFFAOYSA-N 337.383 2.577 30 50 EFEA Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cn2ccccc2c1C#N 378333797 OLABOWGBAAKBME-SFHVURJKSA-N 335.411 2.724 30 50 EFEA N#C[C@@]1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CCc2ccccc2C1 183919930 OKVHUFBKNUGNKQ-LJQANCHMSA-N 335.363 2.705 30 50 EFEA C=C(C)CN1CCN(C(=O)[C@@]23C[C@@H]4C[C@@](CC)(C2)C[C@](O)(C4)C3)CC1 1506402476 YVTUINJFIAQWIK-ZIBCJSCZSA-N 346.515 2.818 30 50 EFEA CSCC/N=C(/O)N[C@@H](c1nc(C(C)C)no1)C1CCOCC1 328621491 HTDVATFAYMPALI-GFCCVEGCSA-N 342.465 2.527 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2CCC(=O)N(c3ccccc3)C2)N=N1 2325899924 FCGFDWKNVIFUTQ-HNNXBMFYSA-N 338.411 2.654 30 50 EFEA COc1ccc([C@@H](O)[C@@H]2CCCN2C(O)=Nc2ccccn2)cc1 328587178 CXYQCYCXVISFKH-DOTOQJQBSA-N 327.384 2.834 30 50 EFEA Cc1ccccc1C/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1cncnc1 328625509 DFFUZVANKMDLNG-ROUUACIJSA-N 342.418 2.897 30 50 EFEA N#Cc1c(CN2CC[C@@](CO)(c3ccccc3)C2)cn2ccccc12 365850647 ZYHJUBGJKMJSLG-OAQYLSRUSA-N 331.419 2.947 30 50 EFEA CCn1c(S)nc2cc(C(=O)O[C@H](C)C(C)(C)C#N)ccc2c1=O 130672110 HFOALGRFGWGGMZ-SNVBAGLBSA-N 345.424 2.800 30 50 EFEA C=CCN(C(=O)Nc1nnn(Cc2ccccc2F)c1C)C1CC1 283543147 SLKUQZWEDBEKHM-UHFFFAOYSA-N 329.379 2.956 30 50 EFEA C=CC[C@@]1(C(=O)O)CCCN(CCC(=O)NCc2ccc(C)cc2)C1 91365199 BQGILDWJUSBMJO-HXUWFJFHSA-N 344.455 2.744 30 50 EFEA N#Cc1cccnc1N1CCC[C@@H](CNC(=O)c2cccs2)C1 952981197 RVZQKVXRNGGNDE-ZDUSSCGKSA-N 326.425 2.661 30 50 EFEA N#Cc1ccc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)cc1 1565509889 FMBIMDZZRHVPGX-OALUTQOASA-N 346.434 2.690 30 50 EFEA N#C[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 170598052 XWZFQZTYFHXDQT-MWLCHTKSSA-N 340.210 2.532 30 50 EFEA Cc1ccc(-c2cc(C(=O)[C@H](C#N)C(=O)c3nccn3C)[nH]n2)cc1C 170602528 CWKGXYLCXMWQKW-AWEZNQCLSA-N 347.378 2.632 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)cc1 19314935 JLXLFCZZWZKASV-KRWDZBQOSA-N 327.380 2.836 30 50 EFEA O/C(=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)Nc1ccccn1 328622222 IHDXCIUELAEFQW-JTQLQIEISA-N 339.321 2.885 30 50 EFEA O/C(=N/CC(F)(F)c1ccccc1)N1CCO[C@@]2(CCCOC2)C1 329248493 WQWWZCGFUDNTLN-INIZCTEOSA-N 340.370 2.574 30 50 EFEA N#Cc1cc2ccccc2nc1N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875398498 SUJSYOFYNXGWMI-FSPWUOQZSA-N 333.395 2.555 30 50 EFEA N#Cc1c[nH]c2ccc(C(=O)NC[C@@H]3NCCc4ccccc43)cc12 2325857192 SJLAIHLIDWXEIC-IBGZPJMESA-N 330.391 2.656 30 50 EFEA CNC(=O)c1cc(Oc2cccc(Oc3nccnc3C#N)c2)ccn1 346696534 RBJYWKSKBOJGEM-UHFFFAOYSA-N 347.334 2.687 30 50 EFEA CCn1c([C@H](C)N[C@H](C(N)=O)c2ccc(C#N)cc2)nc2ccccc21 119428120 YFPINJBQNOONOT-UGSOOPFHSA-N 347.422 2.805 30 50 EFEA COc1ccccc1-c1nc(Cn2nc(C)c(C#N)c2N)cs1 193672806 BHOQGZWYWZLGRU-UHFFFAOYSA-N 325.397 2.826 30 50 EFEA C[C@H](CN1CCCC1)CN(C)C(=O)c1cccc(C#CC(C)(C)O)c1 1506406111 MMQIRAGWYQBGQT-KRWDZBQOSA-N 342.483 2.613 30 50 EFEA Cc1ncc(CO)c(/C=N/N=C/c2ccc(Br)cc2)c1O 3462223 NFAMIDTYHKZMCX-WLYPEFFOSA-N 348.200 2.803 30 50 EFEA C=C(C)[C@H]1OCC[C@H]1/C(O)=N/C[C@@H]1C[C@H](O)CN1Cc1ccccc1 328588783 WIZYDIZXQRWIEA-INDMIFKZSA-N 344.455 2.560 30 50 EFEA CC[C@H](N=c1cc(C)c(C#N)c(C)[nH]1)c1ccc(S(C)(=O)=O)cc1 2356156931 XGYAEYGHDGDMEY-KRWDZBQOSA-N 343.452 2.959 30 50 EFEA C=CCCc1ccccc1N=C(O)N1CC[C@H]2OCC(O)=N[C@H]2C1 328589417 VVTCCPJARWYINU-JKSUJKDBSA-N 329.400 2.780 30 50 EFEA C[C@@]12CCC(=O)N1[C@@H](C(O)=Nc1nc3ccc(F)cc3[nH]1)CS2 328596385 MCEQWROFDOQTRN-IAQYHMDHSA-N 334.376 2.744 30 50 EFEA CO[C@H](C/N=C(/O)N1CCC2(CC1)CN=C(O)C2)c1ccc(F)cc1 328588107 TZKMFBDKCYWQAY-OAHLLOKOSA-N 349.406 2.870 30 50 EFEA N#CC1(CCCN2CC[C@](O)(c3ccc(F)cc3)C2)CCOCC1 370535947 NVIOTOFOHXQONI-LJQANCHMSA-N 332.419 2.820 30 50 EFEA N#CCSCC(=O)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 241126051 JJDCHBOHIAGWOA-ZWKOTPCHSA-N 343.496 2.756 30 50 EFEA C=CCn1ncc(CN2CCC[C@@H](c3nnc4ccccn34)C2)c1C 820505365 UHJQONKUHOTIGC-MRXNPFEDSA-N 336.443 2.800 30 50 EFEA O=[N+]([O-])c1ccccc1/C=N/Nc1nnc2c(n1)[nH]c1ccccc12 4321796 TVGQIMWNSPSKSG-RQZCQDPDSA-N 333.311 2.860 30 50 EFEA C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(CO)[C@@H](C(=O)CO)CC[C@@H]12 5764325 VPJHREHKRNIYDB-TZGXILGRSA-N 346.467 2.668 30 50 EFEA in-vitro CC#CC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 252494151 NMGMNXHAHIQBFR-MRXNPFEDSA-N 334.847 2.631 30 50 EFEA Cc1c(Cl)cnc(N2CCN(c3cccc(O)c3)CC2)c1C#N 253424046 ZTNLQHWAEIDYIB-UHFFFAOYSA-N 328.803 2.947 30 50 EFEA CN(C)c1ccc(N[C@H]2CCCN(c3ccc(C#N)cn3)CC2)cn1 328652972 WRRRGTXXAKKTMY-INIZCTEOSA-N 336.443 2.885 30 50 EFEA N#CC1(C(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)CCOCC1 372908054 QGUKJUGIQSPHSN-UHFFFAOYSA-N 343.814 2.957 30 50 EFEA CCn1cc(CN2CCC(CCN3CCCC3=O)CC2)cc1C#N 77516436 VTTFOFXMIHKRLD-UHFFFAOYSA-N 328.460 2.604 30 50 EFEA CCC1(CC)[C@H](/N=C(/O)N=c2ccc(C(F)(F)F)n[nH]2)C[C@H]1OC 329931414 IERPRBMFJUSVFB-GHMZBOCLSA-N 346.353 2.837 30 50 EFEA N#C[C@]1(NC(=O)Cc2ccccc2[N+](=O)[O-])CCc2ccccc2C1 183933174 IWCVZMCIOVTSPJ-IBGZPJMESA-N 335.363 2.705 30 50 EFEA Cc1nc(CCNC(=O)Nc2cccc(C#N)c2)nc2c1CCCC2 299759180 AVRLOKDCIUVSPH-UHFFFAOYSA-N 335.411 2.900 30 50 EFEA CCn1cc(S(=O)(=O)NC2(C#N)CCC(C(C)(C)C)CC2)cn1 170597447 OZGHTUAUYCEYPP-UHFFFAOYSA-N 338.477 2.680 30 50 EFEA C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](CSc2ccccc2)C1 229836926 RVWTYGGZAKDEFA-HUUCEWRRSA-N 347.484 2.501 30 50 EFEA C#CCCC1(CCNC(=O)C2(c3cccnc3)CC(F)(F)C2)N=N1 1875380959 FURHDKFKNPWATC-UHFFFAOYSA-N 332.354 2.830 30 50 EFEA Cc1nc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)Nc2cccnc2)cs1 328654217 XIBIAPCUDJUACX-WFASDCNBSA-N 349.435 2.785 30 50 EFEA C#CCSCCOC(=O)[C@@H]1CC(=O)N(c2ccccc2CC)C1 253424291 CXNYYADAXVOMJV-OAHLLOKOSA-N 331.437 2.512 30 50 EFEA COc1ccccc1[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)CCN1 374365753 PTCAZGLTDPEZEU-LJQANCHMSA-N 349.434 2.673 30 50 EFEA C=CCn1c(C)nnc1S(=O)(=O)Cc1ccccc1C(F)(F)F 174632375 MQCMJQWEBNOFCW-UHFFFAOYSA-N 345.346 2.765 30 50 EFEA O=C(c1ccccn1)[C@H]1CCCN(Cc2ccc(C#CCO)cc2)C1 952975127 DGZCKKNRNCBKHS-IBGZPJMESA-N 334.419 2.520 30 50 EFEA Cc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nc1C#N 302608944 BFEIJNDNLVCQDM-UHFFFAOYSA-N 340.814 2.878 30 50 EFEA C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(O)c1 194970168 NTFOIENJTKGJIR-AUUYWEPGSA-N 335.407 2.716 30 50 EFEA C[C@H]1CCCN(S(=O)(=O)c2oc(-c3ccc(F)cc3)nc2C#N)C1 1775976801 UYKVVVRXNXQCLQ-NSHDSACASA-N 349.387 2.773 30 50 EFEA O=C(O)c1ccc(/C=N/n2c(-c3cccnc3)n[nH]c2=S)cc1 5997276 AEGQVJRCMGBZGG-CAOOACKPSA-N 325.353 2.583 30 50 EFEA C=CCN1C(=O)COc2ccc(NC(=O)c3ccccc3F)cc21 12126165 UCUKMJHQFHXYBI-UHFFFAOYSA-N 326.327 2.989 30 50 EFEA C#CC1(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)CCCCC1 12342639 KWQBABFJWDEJGB-FQEVSTJZSA-N 342.483 2.522 30 50 EFEA COc1cc(N/C(N)=N\c2nc(C)cc(C)n2)c(OC)cc1Cl 18176458 NMMLTDOHSCDZGL-UHFFFAOYSA-N 335.795 2.822 30 50 EFEA CC(C)C#CC(=O)N1CC[C@@](c2nc(C3CC3)no2)(C(F)(F)F)C1 952893843 KNONJSDIJZLPMD-OAHLLOKOSA-N 341.333 2.639 30 50 EFEA C#CCCC1(CCNC(=O)c2c[nH]c3cccc(C(=O)OC)c23)N=N1 2325900274 RZKRQFNFFSHYMS-UHFFFAOYSA-N 338.367 2.650 30 50 EFEA CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H](C)OC[C@H]1c1ccccc1 247534400 ONPXNBAETIIPDJ-HHXXYDBFSA-N 329.444 2.503 30 50 EFEA Cn1nc(C(C)(C)C)c2c1NC(=O)C[C@@H]2c1cc(C#CCO)cs1 65396358 ZXEYIBNBJWOBSM-GFCCVEGCSA-N 343.452 2.597 30 50 EFEA CCOC(=O)c1csc(C2CCN(c3ccc(C#N)nc3)CC2)n1 241693847 QIFNJANUSQJXTB-UHFFFAOYSA-N 342.424 2.970 30 50 EFEA CCn1cc([C@@H]2CN(Cc3cn4ccccc4c3C#N)CCO2)cn1 190763209 SXGIWARUKCZFKT-IBGZPJMESA-N 335.411 2.601 30 50 EFEA C=CCN(C(=O)C[C@H]1C=CS(=O)(=O)C1)[C@@H]1CCc2ccccc21 1875254592 DAZVDHJFUYHCEC-RHSMWYFYSA-N 331.437 2.637 30 50 EFEA COc1ccccc1OCCOc1ccc(/C=N/n2cnnc2)cc1 2878721 MONXRFFFDOMAON-CIAFOILYSA-N 338.367 2.627 30 50 EFEA C=CCOc1ccc(OCCN2CCC[C@@H](C(=O)OCC)C2)cc1 6703404 MSSFEPLNHFISNR-MRXNPFEDSA-N 333.428 2.905 30 50 EFEA Cc1cc(N2CCN(c3ccccc3C#N)CC2)n2nc(C)c(C)c2n1 72431921 OHKPRZSYFQVBRR-UHFFFAOYSA-N 346.438 2.853 30 50 EFEA N#Cc1ccc([C@H]2CC(=O)Nc3nc(N4CCCCC4)nc(O)c32)cc1 826779474 NEZSFJJMQDRNAU-CQSZACIVSA-N 349.394 2.518 30 50 EFEA COCCN(CCCOc1cccc(C#N)c1)Cc1cccnc1 170607208 CEDDHBUPCRMBJF-UHFFFAOYSA-N 325.412 2.871 30 50 EFEA CN(C)/C=C/C(=O)c1ccc(OCCN(C)c2ccccn2)cc1 6176738 LULYIBTXNBZBRX-ACCUITESSA-N 325.412 2.855 30 50 EFEA CS(=O)(=O)[C@@H]1CCCN(/C(O)=N/[C@@H]2C[C@H]2C2CCCCC2)CC1 328722131 RQNMCYWVWLTPFJ-OWCLPIDISA-N 342.505 2.768 30 50 EFEA C=C/C(O)=N/Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1 328598149 KLGMDLDBNRPBBF-UHFFFAOYSA-N 332.381 2.920 30 50 EFEA Cc1cc([C@@H]2CCCN(C(=O)Nc3snc(C)c3C#N)C2)[nH]n1 297553672 ZTMGXHQEPLSAFN-LLVKDONJSA-N 330.417 2.766 30 50 EFEA C=CC(C)(C)c1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)o1 1330066479 MKEYTSKIWCZZJI-UHFFFAOYSA-N 347.440 2.985 30 50 EFEA CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)CC#N)CC1 408520572 MBSQEDQRJRFRMZ-OAHLLOKOSA-N 335.448 2.784 30 50 EFEA C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CO 29747240 WHBHBVVOGNECLV-KWNDPWABSA-N 346.467 2.811 30 50 EFEA biogenic COc1ccc([C@@H]2C[C@@H]2c2nc(C#N)c(N3CCOCC3)o2)cc1 1857798879 DXSKRAPAILUUKL-GJZGRUSLSA-N 325.368 2.663 30 50 EFEA COC(=O)C1=C(C)NC(C)=C(C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 4529641 XBMJSLDVNZOWGN-MRXNPFEDSA-N 330.340 2.592 30 50 EFEA O=[N+]([O-])c1ccc(N/N=C2\CCC[C@@]23CCC[C@H]3O)c([N+](=O)[O-])c1 4795104 YTDWEZJVHPXQQK-NXQWLJSCSA-N 334.332 2.986 30 50 EFEA COc1ccccc1C(=O)O/N=C(\N)c1cccc(Br)c1 4833642 YYCFPMBSRHYGIV-UHFFFAOYSA-N 349.184 2.935 30 50 EFEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c(OCC)cccc1[N+](=O)[O-] 253429516 DRVSZGCVHFEPJF-MLGOLLRUSA-N 334.372 2.705 30 50 EFEA N#C[C@H]1CN(Cc2cccc(OCc3ccccn3)c2)CCN1C1CC1 371325149 CBQJQNHMQPOLMJ-FQEVSTJZSA-N 348.450 2.833 30 50 EFEA C=CC[C@@]1(C(=O)O)CCCN(c2ncccc2C(=O)N2CCCC2)C1 91693626 SSRADXXYRXJPDE-LJQANCHMSA-N 343.427 2.565 30 50 EFEA Cn1cc(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c2ccccc21 245226975 UPHRIRMXYZVLDE-UPHDCGPKSA-N 345.402 2.565 30 50 EFEA CCN(CCC#N)CC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 408522685 BZVKCEVMLBCLRN-MVVMVCHASA-N 337.464 2.515 30 50 EFEA N/C(=N/c1ccccc1)S[C@H]1CC(=O)N(c2ccccc2)C1=O 13550150 QQHWMGNTOIDKGE-AWEZNQCLSA-N 325.393 2.698 30 50 EFEA C#CCN(CC=C)Cc1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1 19794763 JZIHEZGANFAHOX-UHFFFAOYSA-N 341.411 2.724 30 50 EFEA N#CCc1ccc(NC(=O)N[C@H]2CCN(C3CCC3)C2=O)c(Cl)c1 952885650 KCJZOPFGTPWPFG-HNNXBMFYSA-N 346.818 2.681 30 50 EFEA C#CCCC1(CCNC(=O)c2cc(OC)cc(C(=O)O)c2Cl)N=N1 2325901063 SCCDSTWFUWHJQT-UHFFFAOYSA-N 349.774 2.742 30 50 EFEA CC1=CC(=O)C=C(C)C1=NOS(=O)(=O)c1ccc(Cl)cc1 3076376 GTUHBFOHORBFLZ-UHFFFAOYSA-N 325.773 2.877 30 50 EFEA CCO[C@@H]1C[C@H](/N=C(/O)[C@@H]2COCCN2CC(F)F)C12CCCC2 329999920 VOVXZJZYQZLPQA-MELADBBJSA-N 346.418 2.647 30 50 EFEA COc1ccc(C[N+]2C(=O)C(=NO)c3cc(C)ccc32)cc1OC 343516866 CVOMKQXSQSBCHS-UHFFFAOYSA-N 326.352 2.703 30 50 EFEA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)c1ccc(C#N)cn1 275560604 WFSACWCIIUBZTD-GJZGRUSLSA-N 345.447 2.767 30 50 EFEA CCOc1cccc(/C=N/c2ccc3c(c2)N(C)C(=O)CO3)c1O 170644602 NNFUZCMLTBNSAB-VXLYETTFSA-N 326.352 2.897 30 50 EFEA C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CC2(CCOCC2)O1 279574490 VFHKUMLJLQJHSJ-CQSZACIVSA-N 327.428 2.606 30 50 EFEA O/C(=N/[C@@H]1CCCN(c2ncccn2)C1)[C@H]1C[C@@H]1c1cccc(O)c1 328588430 GQFOETOKBOQTRZ-OIISXLGYSA-N 338.411 2.911 30 50 EFEA Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nccnc1N 114678978 IVRXQSTUZLHCMY-UHFFFAOYSA-N 346.350 2.679 30 50 EFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC 289892 YDBXPCPUOJDGGZ-HNNXBMFYSA-N 343.379 2.550 30 50 EFEA C#CCN1C(=O)[C@](O)(CC(=O)c2ccc(OCC)cc2)c2ccccc21 302972 HSHVYJALVNQOEP-NRFANRHFSA-N 349.386 2.526 30 50 EFEA COc1ccc(Cl)cc1C(=O)O/N=C(\N)c1cccc([N+](=O)[O-])c1 4723525 VHFXMKVMQDZHLX-UHFFFAOYSA-N 349.730 2.734 30 50 EFEA C#CCN1CCCC[C@H]1C(=O)N1CCS[C@@H](c2ccccc2)C1 229707103 WXDVASVSLJUXQA-ZWKOTPCHSA-N 328.481 2.791 30 50 EFEA CC(C)(C)NC(=O)COc1ccc(CN2CCC[C@H](C#N)C2)cc1 216453750 HBGHPSRNQTWIQB-MRXNPFEDSA-N 329.444 2.716 30 50 EFEA N#Cc1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCC2 247778908 ZQLFEWDEONGWSL-QYAIJTBZSA-N 328.393 2.570 30 50 EFEA CC(=O)[C@@H]1C[C@H](O)[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 257356912 LCDAMWASKLSANR-GNPNMZQZSA-N 346.467 2.665 30 50 EFEA CCOC(=O)c1csc([C@@H]2CCCN2c2ccc(C#N)cn2)n1 170611274 POWJUTOMQIZIBI-ZDUSSCGKSA-N 328.397 2.928 30 50 EFEA C#CCCS(=O)(=O)N[C@@H]1CC[C@H](C)C[C@@H]1OCc1ccccc1 2325823106 FIXHOWLNCVXXTN-JQHSSLGASA-N 335.469 2.703 30 50 EFEA C#CCCC1(CCC(=O)N(CC)c2ncc(C(=O)OC)s2)N=N1 2325892530 QQTHBZPPJABPGV-UHFFFAOYSA-N 334.401 2.638 30 50 EFEA N#Cc1cccc(C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)c1 253417120 RTVAKZNSTOLUPY-LJQANCHMSA-N 333.435 2.853 30 50 EFEA N#Cc1cc([N+](=O)[O-])c(NC[C@H]2CCCO2)cc1NC[C@@H]1CCCO1 285734542 SWWGJSYHHGUGRM-UONOGXRCSA-N 346.387 2.648 30 50 EFEA N#Cc1cc(F)cc(C(=O)Nc2ccccc2CN2CCOCC2)c1 826768243 OBMRSLDOWYYTRF-UHFFFAOYSA-N 339.370 2.782 30 50 EFEA CC[C@@H](CC#N)NC(=O)[C@H](c1cc(Br)cs1)N(C)C 408514067 WNMZBHFURPKQEN-JQWIXIFHSA-N 344.278 2.922 30 50 EFEA COc1ccccc1C/C(N)=N/OC(=O)COc1ccc(Cl)cc1 5101431 HPPRBBWCEZUIGT-UHFFFAOYSA-N 348.786 2.786 30 50 EFEA CCCCN1C(=O)C(=O)/C(=C(/C)O)[C@@H]1c1ccc(OC)c(OC)c1 1772492238 DLSVPPKYVJRPIX-QZFKAFNDSA-N 333.384 2.788 30 50 EFEA O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc(C(=O)O)c(O)c1 952993097 WAIXGRAQVONEHJ-MDWZMJQESA-N 332.381 2.593 30 50 EFEA CN(CCC#N)S(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 2024104 AUICVIVIEGJBBS-UHFFFAOYSA-N 345.380 2.796 30 50 EFEA C=CCSc1nc(N)c(C(=O)Nc2ccccc2C)cc1C(N)=O 20295315 VPACTVKVUQEWEL-UHFFFAOYSA-N 342.424 2.602 30 50 EFEA C[C@@H](Cc1cnccn1)NC(=O)CC1=C(c2ccccc2)CCC1=O 219986278 XFOAYFXCXZPQQB-AWEZNQCLSA-N 335.407 2.731 30 50 EFEA C=CCc1cc(C(=O)N2CCC3(CC2)OCCC[C@H]3O)ccc1OC 91808438 NTKFGUIFWXUQMQ-GOSISDBHSA-N 345.439 2.570 30 50 EFEA N#CC1(c2ccc(C(=O)N3CC[C@H](Oc4cccnc4)C3)cc2)CC1 181563221 FKHVVKSQLRONJS-SFHVURJKSA-N 333.391 2.930 30 50 EFEA C[C@]12[C@@H]3[C@@H]4/C(=N\Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[C@@H]5[C@H]3[C@@H]1[C@@H]5[C@@H]42 257346646 XMICSROKPRPLRR-VFGPJDCUSA-N 326.312 2.659 30 50 EFEA C=CCOc1ccc(C(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)cc1OC 408520248 YAFUDCSNCLSFBX-CVEARBPZSA-N 343.423 2.901 30 50 EFEA Cn1cc(C#N)cc1C(=O)N1CCC([C@@H](O)c2cccs2)CC1 1506401711 LGFQJDJWQKBIDY-MRXNPFEDSA-N 329.425 2.544 30 50 EFEA C[C@H]1C[C@H](NC(=O)C2(C#N)CCCC2)CCN1C(=O)OC(C)(C)C 225572905 QLTHPVJDBOCSHB-UONOGXRCSA-N 335.448 2.975 30 50 EFEA C=CCN1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(C)c(F)c2)C1=O 252485444 GVRBLCGESQYBQN-XJKSGUPXSA-N 333.407 2.623 30 50 EFEA CCOC(=O)[C@@H]1CCCN(CCCCOc2ccc(C#N)cc2)C1 6703425 XBPUOBZHEIYJBR-QGZVFWFLSA-N 330.428 2.992 30 50 EFEA N#Cc1ccc(OC2CN(S(=O)(=O)c3cccc(Cl)c3)C2)cc1 119441636 AVMSBPHSNZROMV-UHFFFAOYSA-N 348.811 2.664 30 50 EFEA O=C(CCc1ccccc1)N1CCC(/N=C(/O)C[C@H]2CCOC2)CC1 329802503 ZDFFQYLLGHAZPV-QGZVFWFLSA-N 344.455 2.993 30 50 EFEA C=C(C)COc1ccc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1 217826025 IDYAUXHBOWKLIU-HNNXBMFYSA-N 343.379 2.616 30 50 EFEA biogenic C=CCC1(CC=C)CCCN1C(=O)c1cn(C[C@@H]2CCCO2)nn1 12714469 HWHNAIUCUMENJW-HNNXBMFYSA-N 330.432 2.584 30 50 EFEA CN1C[C@H](CNC(=O)c2ccccc2OCC#N)Cc2ccccc21 364602943 CHXUMJXFEOIAPY-HNNXBMFYSA-N 335.407 2.627 30 50 EFEA N#Cc1ccc(C(=O)N2CCC[C@H](Cn3cnc4ccccc43)C2)cn1 373735183 FZYSMCXIHUYLLW-HNNXBMFYSA-N 345.406 2.855 30 50 EFEA C[C@@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1CCC(=O)O 237544252 TZSJXVWYOLFJIP-UKRRQHHQSA-N 330.384 2.571 30 50 EFEA COC(=O)c1ccc(CC(=O)NC2(c3cccc(C#N)c3)CC2)cc1 295609382 VEESOGQUBRVJHO-UHFFFAOYSA-N 334.375 2.693 30 50 EFEA C=CCN1C[C@H](C(=O)Nc2ccc(C)c(NC(=O)CC)c2)CCC1=O 952961210 YCIKARWJAHQYSX-CQSZACIVSA-N 343.427 2.707 30 50 EFEA C[C@@H]1C[C@@H](NC(=O)C2(C#N)CCCC2)CCN1C(=O)OC(C)(C)C 225572871 QLTHPVJDBOCSHB-KGLIPLIRSA-N 335.448 2.975 30 50 EFEA C=CCCC(=O)NS(=O)(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1 1775994003 ZLKFPWFVBLZPDN-UHFFFAOYSA-N 347.318 2.639 30 50 EFEA C=CCNC(=O)c1ccc(C(=O)c2cc(OC)ccc2OC)cc1 4524809 PYINBCWWTXONFQ-UHFFFAOYSA-N 325.364 2.851 30 50 EFEA C=CCOc1ccc(OCCN2CCC(C(=O)OCC)CC2)cc1 6702404 QRKBBSYLVZSNOJ-UHFFFAOYSA-N 333.428 2.905 30 50 EFEA COc1cc(C#N)ccc1OCCN1CC[C@H](O)c2ccccc2C1 367923930 FRILHYKAOZSUIO-SFHVURJKSA-N 338.407 2.885 30 50 EFEA CC(C)[C@@H]1O[C@@]2(C)OC3=NC(=N)[C@@](C#N)([C@@H]2c2ccccc2)[C@]31C#N 230041726 ZGAYWLBTBNDYAN-CZAUZLFCSA-N 334.379 2.981 30 50 EFEA CCc1cc(C2CC2)nc(NS(=O)(=O)c2ccc(C#N)cc2F)n1 195579796 CGXLPBYCXAOBMN-UHFFFAOYSA-N 346.387 2.728 30 50 EFEA Cc1cc(OCCN2CCCC2)cc(B2OC(C)(C)C(C)(C)O2)c1 169978488 ZDTDVRJUJYDUBJ-UHFFFAOYSA-N 331.265 2.769 30 50 EFEA C[C@H]1C[C@]1(C#N)C(=O)N1CC(C)(c2nnc(-c3ccccc3F)o2)C1 952893172 SNRDIIQEAWSMPR-BBATYDOGSA-N 340.358 2.525 30 50 EFEA C[C@H]1CN(c2ccc(NC(=O)N3CC[C@H](C#N)C3)cc2F)C[C@@H](C)O1 1875267487 IIHMPVAPLRRYIN-HZSPNIEDSA-N 346.406 2.817 30 50 EFEA C#CCCC1(CCC(=O)N(CC(=O)O)Cc2ccc(F)c(F)c2)N=N1 2325900809 KAZVSNYVXZFBSG-UHFFFAOYSA-N 349.337 2.734 30 50 EFEA CC(C)=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(C)c(C)c2)S1 6556855 HIGYMZJFWXEKLU-CYBMUJFWSA-N 332.429 2.615 30 50 EFEA N#Cc1ccc(N2CCC(CO)(Cc3cccc(F)c3)CC2)nc1 67675940 OYHTWLADZUSWBS-UHFFFAOYSA-N 325.387 2.914 30 50 EFEA C=CCOc1ccccc1CN(CC)C(=O)Cc1c(O)n[nH]c1C 67784012 NWYZTUUAHBHNKV-UHFFFAOYSA-N 329.400 2.580 30 50 EFEA COC[C@H](/N=C(/O)N1CCC[C@H](c2nccn2C)C1)c1ccccc1 328588871 YCEWLNIYYVLVPH-IRXDYDNUSA-N 342.443 2.901 30 50 EFEA CC1(C)C[C@@]2(C[C@@H]2/C(O)=N/Cc2cnc[nH]c2=N)c2ccccc2O1 328607718 WTOZXZUNAYYBFT-KUHUBIRLSA-N 338.411 2.865 30 50 EFEA CC(C)(C(=O)Nc1ccc(Cl)c(C#N)c1)S(=O)(=O)C1CC1 284567144 QTGWMLNBIPAVGQ-UHFFFAOYSA-N 326.805 2.506 30 50 EFEA N#Cc1ccc(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)cn1 95530479 OEAMOYBQDLSCDA-INIZCTEOSA-N 335.411 2.580 30 50 EFEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)N3CCC[C@H](C)C3)o2)cc1 826802924 NRBFZYWQFTVKEZ-ZDUSSCGKSA-N 345.424 2.942 30 50 EFEA Cc1cccc([C@H](O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 1875293530 UCIOHWSXVQKEPS-MOPGFXCFSA-N 336.391 2.500 30 50 EFEA C#CCCC1(CCNC(=O)c2cccnc2Oc2cccnc2)N=N1 2325890894 ARPWOKAKINXCFI-UHFFFAOYSA-N 335.367 2.964 30 50 EFEA O=C(C[n+]1cccc(C(=O)NCc2ccccc2)c1)Nc1ccccc1 1726195 PHGZIOSQNLAOCP-UHFFFAOYSA-O 346.410 2.543 30 50 EFEA C=CCn1c(SCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C 8398579 HLJDPLLGNYCSGC-UHFFFAOYSA-N 336.461 2.672 30 50 EFEA COc1ccc(CC(=O)O/N=C(\N)c2ccc(Cl)cc2)cc1OC 8576201 HAMFLEUUPHBCQP-UHFFFAOYSA-N 348.786 2.763 30 50 EFEA Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)NC2=C1C(=O)CCC2 100421579 VHDDYRQZBLLDOK-JTQLQIEISA-N 332.787 2.730 30 50 EFEA CC(C)c1cnc(CN(C)[C@@H]2CCN(C[C@@H](C#N)CCC#N)C2)o1 229830185 GEXIIFUSYHBUNN-HZPDHXFCSA-N 329.448 2.748 30 50 EFEA N#Cc1cccc(S(=O)(=O)N2CCCC[C@H]2CCN2CCCC2)c1 77358269 MPRKEUWYXRWZAH-KRWDZBQOSA-N 347.484 2.587 30 50 EFEA CC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2[C@H]1c1ccccc1 5020227 IHCZTDPUIHKHDW-LBPRGKRZSA-N 327.409 2.850 30 50 EFEA N#Cc1cccc(CNC(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)c1 812001758 OKDMFJDJJFLUQM-HNNXBMFYSA-N 343.333 2.639 30 50 EFEA C=C(C)Cn1c(-c2nccn2C)nnc1N1CC[C@H](c2ccco2)C1 1263345326 GUVUOMQRQCXSBA-AWEZNQCLSA-N 338.415 2.842 30 50 EFEA C#CCCC1(CCC(=O)N(C)Cc2ccc3c(c2)OCCO3)N=N1 952881095 KTZDKSKHBKKISN-UHFFFAOYSA-N 327.384 2.772 30 50 EFEA Cc1cc(C#N)cc(C)c1CC(=O)N1CC(=O)N(C)c2ccccc2C1 913009927 XVYFGJGAIKBMOJ-UHFFFAOYSA-N 347.418 2.723 30 50 EFEA C=CCn1c(SCC(=O)O)nc2sc3c(c2c1=O)CCCC3 352252 FAUABQMXVULMHS-UHFFFAOYSA-N 336.438 2.700 30 50 EFEA C=CCOc1c(Br)cc(CNC[C@H](C)O)cc1OCC 2178124 YHBPFTMNBAIVOK-NSHDSACASA-N 344.249 2.883 30 50 EFEA CCc1onc(C)c1/C(O)=N/C[C@@H]1CCN(C)[C@H]1c1cccnc1 328631300 QVBRXMBSRXATEU-YOEHRIQHSA-N 328.416 2.938 30 50 EFEA C[C@H](Oc1ccccc1C#N)C(=O)N1CCCC[C@@H]1CCC(=O)O 237679871 TZSJXVWYOLFJIP-DZGCQCFKSA-N 330.384 2.571 30 50 EFEA CC1CCN(S(=O)(=O)c2oc(-c3ccccc3)nc2C#N)CC1 238899376 GCAFLLYCZGPHLM-UHFFFAOYSA-N 331.397 2.634 30 50 EFEA N#Cc1ccc(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)cc1 1565525405 LYBJQPOXODZQOP-MSOLQXFVSA-N 336.391 2.637 30 50 EFEA C[C@H](Oc1cccc(/C=N/Nc2cc(C#N)cc(Cl)n2)c1)C(=O)O 170591348 KFUAUCFCXCMGDC-XPAGJJBOSA-N 344.758 2.905 30 50 EFEA C#CCCC1(CCNC(=O)c2cc(C)n([C@@H]3CCOC3)c2C)N=N1 2325887502 XDDVCRIBSIKDBL-OAHLLOKOSA-N 328.416 2.762 30 50 EFEA C#CCCC1(CCC(=O)NCC2(c3cccc(C(=O)O)c3)CC2)N=N1 2325901182 XCORJAANRZWHEF-UHFFFAOYSA-N 339.395 2.888 30 50 EFEA C=CCn1cc(CN2CCN(Cc3ccccc3C#N)CC2)c(C)n1 55568908 NWNRZDNMQHHSCE-UHFFFAOYSA-N 335.455 2.567 30 50 EFEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc(Cl)c1)[C@H]1C=C[C@H]2C12CC2 105209465 GEPKDOJMRDNGAR-OEARENNWSA-N 326.783 2.871 30 50 EFEA N#Cc1ccc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cc1 67804908 LYBJQPOXODZQOP-ZWKOTPCHSA-N 336.391 2.637 30 50 EFEA O=C(C[C@@H]1COCCN1C(=O)C#Cc1ccccc1)c1cccs1 151960707 MBWXSDNVPQOPBF-MRXNPFEDSA-N 339.416 2.600 30 50 EFEA CCN(CC)CC#C[C@H](C)OC(=O)c1cccc(Cn2ccnc2)c1 242147519 WSKAPUJRFIQVSA-KRWDZBQOSA-N 339.439 2.822 30 50 EFEA CCCNc1ncc(-c2cc(-c3cn(C)nc3C)nc(N)c2C#N)cn1 71721667 YLHOHYKXGCKSMV-UHFFFAOYSA-N 348.414 2.523 30 50 EFEA CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H](COc2ccccc2)O1 284434876 DJCMQMMTGHDAPB-INIZCTEOSA-N 339.395 2.585 30 50 EFEA N#Cc1ccc(CNC(=O)Nc2ccc(-n3cccn3)c(F)c2)nc1 780639400 FOFYCUBJRGKGCC-UHFFFAOYSA-N 336.330 2.600 30 50 EFEA N#CC1(CNC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)CCC1 333127048 AKVGUYNQVUXTSU-KZNAEPCWSA-N 339.439 2.894 30 50 EFEA C[C@@H](Oc1cccnc1)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 1776007502 HUARSFQCTVBSJU-KGLIPLIRSA-N 346.236 2.544 30 50 EFEA C#CCCC1(CCC(=O)NCCNc2ncnc3sccc23)N=N1 2325892470 OLBJTEAMOIVGPC-UHFFFAOYSA-N 342.428 2.575 30 50 EFEA C#CCCC1(CCC(=O)Nc2nc(CC)c(C(=O)OC)s2)N=N1 2325892734 ZNTKQTVNIKQWNK-UHFFFAOYSA-N 334.401 2.786 30 50 EFEA O=[N+]([O-])c1cccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)c1 3897899 LUNSQZTVVZYEFN-RQZCQDPDSA-N 333.311 2.860 30 50 EFEA Cc1cc(C(=O)NC2CCCC2)ccc1B1OC(C)(C)C(C)(C)O1 170004175 WDYLSWHVBGXWKR-UHFFFAOYSA-N 329.249 2.967 30 50 EFEA Cn1cc(-c2nn(C)cc2/C(O)=N/CCc2cc(F)cc(F)c2)cn1 328588649 TXHZXGZPEQYTGN-UHFFFAOYSA-N 345.353 2.646 30 50 EFEA CCn1c([C@H](C)N[C@@H](C(N)=O)c2ccc(C#N)cc2)nc2ccccc21 119428377 YFPINJBQNOONOT-SCLBCKFNSA-N 347.422 2.805 30 50 EFEA Cc1noc([C@@H](N/C(O)=N/CC2(C3CC3)CC2)C2CCOCC2)n1 328621818 HZLZCTDJFKNYDC-AWEZNQCLSA-N 334.420 2.540 30 50 EFEA OC(=Nc1cccc(OC[C@@H]2CCCO2)c1)N[C@@H]1CCO[C@H]1C1CC1 328820289 FFKVDWXRUWSTSK-KSZLIROESA-N 346.427 2.947 30 50 EFEA CN(C)Cc1cccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)c1 71759987 MZSFKTMGINFNAW-MAUKXSAKSA-N 347.466 2.955 30 50 EFEA CC/N=C(/NC[C@@H]1CCO[C@H]1c1ccccc1)NCC(C)(C)N(C)C 170650683 AZGMSLONOUCYSM-ROUUACIJSA-N 346.519 2.660 30 50 EFEA COc1cccc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)c1OC 71746920 SEYAVYNXBQPOLV-UHFFFAOYSA-N 349.394 2.929 30 50 EFEA CN(Cc1nccc(=N)[nH]1)[C@@H]1CCCN(CC(C)(C)CCC#N)CC1 328641236 QMXHQFVRTFVBBA-MRXNPFEDSA-N 344.507 2.505 30 50 EFEA C=CCNc1nc(N2CCN(C(=O)OCC)CC2)nc2ccccc12 41150835 AGTQHNDPWCNPIO-UHFFFAOYSA-N 341.415 2.506 30 50 EFEA C=CC[C@]1(CO)CCCN(C2CCN(C(=O)c3ccccc3)CC2)C1 91872947 JFHVFRHTOZYEFC-NRFANRHFSA-N 342.483 2.942 30 50 EFEA C=CCc1cc(CN2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)ccc1OC 299765765 AFGRSGZVUAVGDI-YZGWKJHDSA-N 331.456 2.928 30 50 EFEA CC(C)(O)C#Cc1ccc(CN2CCC[C@@H](Cn3ccnc3)C2)cc1 820608321 RAFKAFQWPPAOJS-HXUWFJFHSA-N 337.467 2.918 30 50 EFEA C#CCCC1(CCC(=O)N2CCN[C@H](c3ccc(OC)cc3)C2)N=N1 2325892179 CYMNYPZOGKUGSY-KRWDZBQOSA-N 340.427 2.524 30 50 EFEA N#Cc1c(NC(=O)CSc2ncn[nH]2)sc2c1CCCCC2 6078953 XGHUJWTXGMRXEL-UHFFFAOYSA-N 333.442 2.738 30 50 EFEA CCN(CC(=O)O)C1CC(/N=C(/O)CCCOc2ccccc2)C1 328641271 QNXQEJJZVBAHHG-UHFFFAOYSA-N 334.416 2.740 30 50 EFEA CCN(Cc1ccc(-c2ccccc2C#N)o1)[C@H]1CCS(=O)(=O)C1 77470240 AOUIQMLTEOXXEX-HNNXBMFYSA-N 344.436 2.827 30 50 EFEA N#Cc1c(N)nc2c(c1-c1ccccc1OCC(=O)O)CCCCC2 71748218 QUPPTOFGVFEQQA-UHFFFAOYSA-N 337.379 2.935 30 50 EFEA CCCCc1ccc(S(=O)(=O)N/N=C(\C)c2cnn(C)c2C)cc1 17072446 REFAGQRUFACRES-CPNJWEJPSA-N 348.472 2.774 30 50 EFEA N#Cc1ccc(N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)c(F)c1 818145877 RUJXWKMJFIVXRY-GOSISDBHSA-N 342.374 2.532 30 50 EFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1c(C)nn(C(F)F)c1C 281501268 QPXPKSMDZDJJSG-DOMZBBRYSA-N 327.375 2.535 30 50 EFEA O/C(=N/C1CC=CC1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 328620169 GTRXCYAMUIHWMF-MRXNPFEDSA-N 342.443 2.768 30 50 EFEA CC[C@H](C)c1ccc(S(=O)(=O)N/N=C/c2ccc(O)c(O)c2)cc1 17072381 OKYRSOYNWNXWLL-HWQJWEFDSA-N 348.424 2.924 30 50 EFEA CC(C)(C#N)CC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 279096363 WUPJLXWRIXHLBB-MRXNPFEDSA-N 327.428 2.737 30 50 EFEA N#Cc1ccc(N2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)nc1 193853293 NUBKTYKWKVWGHE-UHFFFAOYSA-N 344.422 2.666 30 50 EFEA Cc1cn2c(n1)CN(C(=O)[C@H](Oc1ccccc1C#N)C(C)C)CC2 374656735 CAEVKXSALCCECH-GOSISDBHSA-N 338.411 2.509 30 50 EFEA CCCCCCCC[C@H](C)C(=O)N=c1nc[nH]n1-c1ncccn1 1875303077 UDLQDONCDPMVKD-AWEZNQCLSA-N 330.436 2.804 30 50 EFEA N#CC1CCN(C(=O)N(CCC(=O)O)Cc2ccccc2Cl)CC1 2325788912 RNNSEABCKAZOKI-UHFFFAOYSA-N 349.818 2.972 30 50 EFEA C#CCCC1(CCC(=O)N[C@](C)(CC)c2nc(O)cc(CC)n2)N=N1 2325899683 QWQFDPJCTBEEAP-QGZVFWFLSA-N 343.431 2.842 30 50 EFEA CCCCCC/C=C\CCC[C@@H](O)CC(=O)N[C@H]1CCOC1=O 8436856 GFSFGXWHLLUVRK-KTYGHDLGSA-N 325.449 2.866 30 50 EFEA in-vitro C[C@@]12CCC(=O)N1[C@H](C(O)=Nc1nc3ccc(F)cc3[nH]1)CS2 328596387 MCEQWROFDOQTRN-XHDPSFHLSA-N 334.376 2.744 30 50 EFEA N#Cc1cc(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)ccc1F 157955719 WNBISYIUGQNJLE-IBGZPJMESA-N 335.338 2.591 30 50 EFEA C=C(C)COc1ccccc1C(=O)N1CC[C@]2(OC)CC[C@H](O)C[C@H]12 299756843 JJAXYVLDZUHUHH-ZAAXVRCTSA-N 345.439 2.786 30 50 EFEA CC(=N\NS(=O)(=O)c1ccc(C)cc1)/C(=N/O)c1ccccc1 19879141 VTPZLBQJEXJKSO-ARGJOIDYSA-N 331.397 2.528 30 50 EFEA COc1ccc(Cl)c(S(=O)(=O)N(CC#N)C2CCCC2)c1 159552759 HIGZHTAFOMQHTI-UHFFFAOYSA-N 328.821 2.805 30 50 EFEA C=CCOc1cccc(CN2CC[C@](CCC)(C(=O)O)[C@@H](O)C2)c1 1704331223 LHGGTYGEIZFEDS-HKUYNNGSSA-N 333.428 2.689 30 50 EFEA Cc1ccc(C(=O)Nc2c[nH]nc2C(=O)OC(C)(C)C)cc1C#N 862070688 JKSMAENJRZKJTP-UHFFFAOYSA-N 326.356 2.797 30 50 EFEA N#Cc1cc(F)c(O)c(-n2cc(CCCO)c(C(F)(F)F)n2)c1 1875320627 HXIJCNJWMIBVKP-UHFFFAOYSA-N 329.253 2.532 30 50 EFEA Nc1cc(Cl)nc(N/N=C/c2c(F)c(F)c(F)c(F)c2F)n1 4947181 XZFNGVOGYMDJDW-FQJNFEMKSA-N 337.639 2.854 30 50 EFEA Cn1nccc1[C@@H]1OCCC[C@H]1/C(O)=N/[C@H](CO)c1ccsc1 329406625 ZLQYNPRZTXIFMH-UMVBOHGHSA-N 335.429 2.639 30 50 EFEA O=C1[C@H]2[C@H]3C4(CC4)[C@H]([C@H]2C(=O)N1c1ccccc1)[C@]12O[C@@]31[C@H]1C=C[C@H]2C1 257355531 BCAKWYYCESHKQZ-XNWBYNNZSA-N 345.398 2.546 30 50 EFEA CC1=NN(c2ccc(C(=O)Nc3cc(C)n(CCC#N)n3)cc2)CC1 271059203 KNSMBZUXOMSIMF-UHFFFAOYSA-N 336.399 2.944 30 50 EFEA Cc1cccc(-c2c(C#N)c(N)nc3c2c(=O)nc2sccn23)c1 19874372 AUBZIZOWVWGSED-UHFFFAOYSA-N 333.376 2.734 30 50 EFEA CC[C@@H]1C[C@H](CC(=O)Nc2ncc3c(c2C#N)COCC3)CCO1 863947312 SLBHVJCKFLVUOA-TZMCWYRMSA-N 329.400 2.560 30 50 EFEA C#CCCC1(CCC(=O)N2[C@H]3C=C(c4nccn4C)C[C@H]2CC3)N=N1 2325892841 JNDIPFPTUIUPHE-HZPDHXFCSA-N 337.427 2.923 30 50 EFEA C[C@H]1CN(c2oc(COc3ccc(F)cc3)nc2C#N)C[C@H](C)O1 108744 NANKRADVXHFNBL-RYUDHWBXSA-N 331.347 2.878 30 50 EFEA COc1cccc([C@H]2O[C@@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@H]3C)c1 138035020 NTIDUYYKZFRVAA-WBBBXAHXSA-N 336.351 2.670 30 50 EFEA CN1CC[C@](C)(CNC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 426699939 MDMDGDJZMVGUGU-LJQANCHMSA-N 340.471 2.595 30 50 EFEA CN(CCC[C@@H]1CCCO1)C(=O)c1cccc(C#CC(C)(C)O)c1 952986915 BROKHHVWJGPLIX-GOSISDBHSA-N 329.440 2.840 30 50 EFEA C=CC[C@H]1C=CC[C@H](CC=C)N1C(=O)CSc1nnc(N)s1 208391011 WWIKRXXDFGKZLL-RYUDHWBXSA-N 336.486 2.890 30 50 EFEA C[C@H](c1cccc(C#N)c1)N1CCN(C[C@H](O)CC(F)(F)F)CC1 225548535 QSIKRSFEJPYECE-CZUORRHYSA-N 341.377 2.550 30 50 EFEA C#CCN(C)C/C=C/C(=O)N1CCC2(C=Cc3ccccc3O2)CC1 1875387760 WDSDYMGPQLREKC-RMKNXTFCSA-N 336.435 2.575 30 50 EFEA CCO[C@H]1OC(C)=CC2=C1C(=O)c1c(OC)cc(OC)cc1C2=O 2332918134 HFMQZTBWVTUFRS-SFHVURJKSA-N 330.336 2.676 30 50 EFEA C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@H]1CCCN(C)C1 246169647 PMUZYQWUEJTQFV-KGLIPLIRSA-N 348.878 2.812 30 50 EFEA C[C@H](/N=C(/O)[C@@H]1CCCCS1(=O)=O)[C@H]1CCCN(C2CCC2)C1 329749377 HKUSNKHKZDAVJI-DZKIICNBSA-N 342.505 2.563 30 50 EFEA O/C(=N/C[C@@H]1C[C@H](F)CN1Cc1nccs1)c1cscn1 328627451 GESKENRIRNFHLT-UWVGGRQHSA-N 326.422 2.517 30 50 EFEA N#C[C@]1(C(=O)N2CCC(CCCO)CC2)CCc2ccccc2C1 363671563 KGHNCZMYXYVGCP-FQEVSTJZSA-N 326.440 2.696 30 50 EFEA CC(=O)Nc1cccc(/C(C)=N/NS(=O)(=O)c2ccc(C)cc2)c1 454243 JYRGZTGXRHSHHB-CPNJWEJPSA-N 345.424 2.656 30 50 EFEA CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2C#N)C[C@H]1C(=O)O 4241463 GFZOTUBESVHWEI-DOMZBBRYSA-N 330.384 2.811 30 50 EFEA N/C(=N\OC(=O)c1ccsc1)c1ccc(Br)cc1 4357688 LFDZXLJJHRCERZ-UHFFFAOYSA-N 325.187 2.988 30 50 EFEA C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1C(=O)N(C)Cc1ccc(C#N)cc1 248038081 JVBBQHHWTZDHCA-JLSDUUJJSA-N 339.439 2.554 30 50 EFEA CCn1ccnc1[C@@H]1CCCCN1C(O)=Nc1cc(COC)ncn1 328587730 GEXZBNJQYDYXCT-AWEZNQCLSA-N 344.419 2.612 30 50 EFEA Cc1nc(C2CC2)oc1/C(O)=N/C1CCN([C@@H]2CCCC[C@H]2O)CC1 328593873 TUVYAIFEDWIILK-HZPDHXFCSA-N 347.459 2.933 30 50 EFEA C[C@@](O)(CN1CCN(c2ccc(C#N)cc2Cl)CC1)C(F)(F)F 281327714 LQLNGMKXMVGWQC-CQSZACIVSA-N 347.768 2.647 30 50 EFEA CCn1c(S)nc2cc(C(=O)O[C@@H](C)C(C)(C)C#N)ccc2c1=O 130671924 HFOALGRFGWGGMZ-JTQLQIEISA-N 345.424 2.800 30 50 EFEA COc1cccc([C@@H](O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 378355973 MZLBLFLXRKHLPH-HXUWFJFHSA-N 348.402 2.916 30 50 EFEA C#CCNC(=O)c1ccccc1NC(=O)c1cccc([C@@H]2CCOC2)c1 408513685 CKILYCGMFOUTNP-QGZVFWFLSA-N 348.402 2.806 30 50 EFEA N#Cc1ccc(CN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)cc1 1529181084 KAKXEYBVJPINOZ-NHCUHLMSSA-N 333.435 2.816 30 50 EFEA CC(C)(C)OC(=O)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 203184040 FFPZRWCEAZXEDG-UHFFFAOYSA-N 334.221 2.706 30 50 EFEA CSc1nc(N)nc(S[C@@H](C(=O)O)c2ccccc2)c1C#N 2863430 VBPMSIIUVIYRTF-SNVBAGLBSA-N 332.410 2.570 30 50 EFEA COc1cc(OC)cc(C(=O)[C@@H]2O[C@H]2c2ccc3c(c2)OCO3)c1 6453621 IJQCFXVZGJBTKN-ROUUACIJSA-N 328.320 2.755 30 50 EFEA C=CCn1nnc(NC(=O)c2cc(Br)ccc2Cl)n1 10010730 JNSFMNSSDOKACP-UHFFFAOYSA-N 342.584 2.527 30 50 EFEA COc1ccc([C@H](O)[C@@H]2CCCN2C(O)=Nc2ccccn2)cc1 328587180 CXYQCYCXVISFKH-RDJZCZTQSA-N 327.384 2.834 30 50 EFEA Cc1ccc(C#N)c(NCc2ccccc2CN2CCC[C@@H]2CO)n1 225514052 LEXRCHKJHYSDGV-LJQANCHMSA-N 336.439 2.831 30 50 EFEA CCOC(=O)c1c(CC=O)n(C)c2cc(Br)c(O)cc12 230535823 RECXTVUGQLCMNW-UHFFFAOYSA-N 340.173 2.565 30 50 EFEA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C[C@H](C#N)CCC#N 275440617 HKGLHUHIGCGIDW-JYJNAYRXSA-N 349.479 2.739 30 50 EFEA C[C@@H](c1cccc(C#N)c1)N(C)C1CCN(CCn2cccn2)CC1 189873453 VBNSBHWTCBHYIT-KRWDZBQOSA-N 337.471 2.912 30 50 EFEA C=C(F)C1(CC(=O)Nc2cc(C)c(S(N)(=O)=O)cc2C)CCC1 2325766582 WHPMJPPORPFRGE-UHFFFAOYSA-N 340.420 2.933 30 50 EFEA C#CCCC1(CCC(=O)N2CCN[C@H](Cc3ccc(F)cc3)C2)N=N1 2325892269 GZNCVIBYYJNDEL-QGZVFWFLSA-N 342.418 2.524 30 50 EFEA N#Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)c[nH]1 225407133 BKWQOTPVZFWRQA-SWLSCSKDSA-N 349.312 2.853 30 50 EFEA CS(=O)(=O)C1(/C(O)=N/C[C@H]2CCC3(CCCCC3)O2)CCC1 330083088 KOFFYJVKGXHCRI-CYBMUJFWSA-N 329.462 2.792 30 50 EFEA N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 230087344 GJBLYZABEIKAOJ-IAGOWNOFSA-N 335.407 2.994 30 50 EFEA C#C[C@H](NC(=O)N[C@@H](C)c1nc(-c2ccccc2OC)no1)C(C)C 253428202 IHNRWHKBGZBBDV-JSGCOSHPSA-N 342.399 2.763 30 50 EFEA CCc1nc(CN2CCN(c3cc(C#N)cc(C)n3)CC2)cs1 252479014 AZJKBTVATZGIII-UHFFFAOYSA-N 327.457 2.603 30 50 EFEA N#Cc1cc2c(nc1NCc1cc(O[C@H]3CCNC3)ccn1)CCCC2 818627392 UBMIPWCOZOQPJQ-SFHVURJKSA-N 349.438 2.580 30 50 EFEA N#Cc1ccc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)cs2)cc1 2332237484 UEFNOYARYDEHGB-UHFFFAOYSA-N 341.417 2.996 30 50 EFEA Cn1c([C@@H]2CCCN2C/C(O)=N/C2CCOCC2)nc2c1CCCC2 328626057 DTXSEYXCZRKSJE-KRWDZBQOSA-N 346.475 2.571 30 50 EFEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2ccc(C#N)c(Cl)c2)C1 328608310 ABXPJEGLKIXPNY-MRXNPFEDSA-N 345.790 2.985 30 50 EFEA Cc1cc2c(cc1-c1c(C#N)c(N)nc3c1[C@H]1CC[C@@H](C3)N1)OCCO2 71771699 WVMQLPSRJHRQAS-SMDDNHRTSA-N 348.406 2.631 30 50 EFEA N#Cc1ccc(O[C@H]2CCN(Cc3nc4ccc(F)cc4o3)C2)nc1 370731403 WKCNOLFFWCOFHU-AWEZNQCLSA-N 338.342 2.887 30 50 EFEA C[C@H](CCc1ccccc1)NC(=O)N1CCCn2nc(C#N)cc2C1 534576754 SIPVXGJDXPVSHQ-OAHLLOKOSA-N 337.427 2.691 30 50 EFEA C=C(C)CNC(=O)c1cc(COc2ccc(OC)cc2Cl)[nH]n1 12303743 HJFZYCQZEVNFQD-UHFFFAOYSA-N 335.791 2.957 30 50 EFEA O=C1C[N+]([O-])=C(c2ccccc2)c2cc(Br)ccc2N1 2207012 HQNIJHRMGXERBP-UHFFFAOYSA-N 331.169 2.749 30 50 EFEA C[C@H](NCc1ccc(CC#N)cc1)c1cccc(NS(C)(=O)=O)c1 225452198 RWQYSGRANIEHRT-AWEZNQCLSA-N 343.452 2.975 30 50 EFEA Cc1cc(NS(=O)(=O)c2cccc(C)c2C#N)ccc1C(=O)O 137448744 AZLOIENJXXJRKI-UHFFFAOYSA-N 330.365 2.674 30 50 EFEA CC[C@H]1CN(c2cccc(C#N)n2)CCC(=O)N1Cc1ccccc1 71745802 MOMISEJHYHQMMJ-SFHVURJKSA-N 334.423 2.971 30 50 EFEA COC(=O)c1cc(Br)cc(C(=O)N(C)[C@@H](C)CC#N)c1 253427566 ANDQZJGIVRHSBI-VIFPVBQESA-N 339.189 2.610 30 50 EFEA Cc1nccn1C[C@@H]1CCCN1/C(O)=N/CCc1cccc(C#N)c1 328588063 OLEDIXYWSLIEQQ-SFHVURJKSA-N 337.427 2.684 30 50 EFEA C/C(=C/c1ccc(C(=O)O)cc1Cl)c1nc(=O)c(C#N)c(C)[nH]1 435340083 BUJGCQAZRRTTHB-YVMONPNESA-N 329.743 2.862 30 50 EFEA COC[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC(C)(C)O1 285464698 KMVDQCMHGCAENO-INIZCTEOSA-N 330.428 2.754 30 50 EFEA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1ccccc1Cl 245312498 UZVXTCIYZHORKC-BHTCMFTFSA-N 326.783 2.727 30 50 EFEA C=C(C)COc1ccc(NC(=O)N[C@H](C(=O)N(C)C)C(C)C)cc1 299774372 HJZSYBFUISHVRE-INIZCTEOSA-N 333.432 2.876 30 50 EFEA C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1ccc(C(=O)O)cc1 170610011 VMJGLAXEZQXFNS-ZDUSSCGKSA-N 338.363 2.682 30 50 EFEA N#CCCN1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 110710633 CXVYSMMJYPDHQA-UONOGXRCSA-N 343.324 2.576 30 50 EFEA COc1cccc(/C=N/n2c(S)nnc2-c2ccncc2)c1OC 1299953 WYMKVRPSHDYRMI-VCHYOVAHSA-N 341.396 2.528 30 50 EFEA OC1=N[C@H](C(F)(F)F)CC[C@H]1/C(O)=N/[C@@H]1CCc2c[nH]nc2C1 329888530 ZAYXTRLYLQCHDY-YWVKMMECSA-N 330.310 2.521 30 50 EFEA N#CCN(C(=O)c1ccc(Br)nc1C(F)(F)F)C1CC1 1775999185 RIUVWUFPGGYWRA-UHFFFAOYSA-N 348.122 2.991 30 50 EFEA N#CC1(C#N)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]12CC[C@H]1CO[C@H]2O1 106231346 YBGTXIWVFNFQLD-PWXKEOIMSA-N 328.755 2.708 30 50 EFEA Cc1ccc(CN2CCN(CC#Cc3ccccc3)C[C@@H]2CCO)o1 20295305 AQXOOBWCBMAATG-FQEVSTJZSA-N 338.451 2.508 30 50 EFEA COc1c(F)cc(-c2c(C#N)c(N)nc3c2C[C@H](N)CC3)cc1Cl 71760142 ZQCVKPUVCITLRZ-SECBINFHSA-N 346.793 2.820 30 50 EFEA C=CCN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 1125704 QOTYMXFKACCKAD-XGICHPGQSA-N 334.309 2.546 30 50 EFEA N#Cc1csc(CN2CCN(c3ncnc4sccc34)CC2)c1 125663169 NSPSRUPYKQISNC-UHFFFAOYSA-N 341.465 2.947 30 50 EFEA C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)c1ccc(C#N)cn1 248077349 UODKKROABKMJAK-OXQOHEQNSA-N 348.450 2.936 30 50 EFEA COCc1nc([C@H]2CN(c3ccc(F)cc3C#N)C[C@@H]2C2CC2)n[nH]1 952851338 YLEWYLZHIWRICL-CABCVRRESA-N 341.390 2.592 30 50 EFEA O=[N+]([O-])c1ccc(N/N=C2\CCC[C@]23CCC[C@@H]3O)c([N+](=O)[O-])c1 4795102 YTDWEZJVHPXQQK-HAYYONBKSA-N 334.332 2.986 30 50 EFEA CN1C[C@@H](CNC(=O)c2ccccc2OCC#N)Cc2ccccc21 364602958 CHXUMJXFEOIAPY-OAHLLOKOSA-N 335.407 2.627 30 50 EFEA Cc1ccc(N2CCC[C@@H](N(C)C(=O)c3ccc(C)c(C#N)c3)C2)nn1 369107609 USFCRDGYYQNASY-GOSISDBHSA-N 349.438 2.706 30 50 EFEA C=CC[C@]1(C(=O)O)CCCN(C(=O)c2c(OC)ccc(F)c2F)C1 91435214 SDUOMPQNLJDAIV-KRWDZBQOSA-N 339.338 2.857 30 50 EFEA NC(=S)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 565958 FKHFXGQMZHOULG-GIJQJNRQSA-N 333.800 2.726 30 50 EFEA N#CC1(NC(=O)c2cc3cc(Br)ccc3[nH]2)CCOCC1 115465312 ABCZJEKYHFIDCP-UHFFFAOYSA-N 348.200 2.733 30 50 EFEA CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@@]12C 31168009 WKUOPGZYLRFCHJ-APDQSUQKSA-N 334.412 2.533 30 50 EFEA biogenic,in-vitro CCc1nnc(C[C@@H]2CC[C@H](NC(=O)c3cccc(F)c3C#N)C2)o1 1775960257 BIVIUBBOAYOTIN-NEPJUHHUSA-N 342.374 2.784 30 50 EFEA Cc1ccccc1CS(=O)(=O)c1c(C#N)c(C(F)(F)F)nn1C 1391305 KAJOJVFXTPGOKX-UHFFFAOYSA-N 343.330 2.593 30 50 EFEA COc1cccnc1N=C(O)N1CCC[C@H]1C[C@H](O)c1ccco1 328594675 ISGRERUYQLMQOI-STQMWFEESA-N 331.372 2.817 30 50 EFEA CC1(C)OB(c2cnn(CCCOCc3ccccc3)c2)OC1(C)C 215957747 GVCVWQRSSYPAQK-UHFFFAOYSA-N 342.248 2.789 30 50 EFEA CCn1ccnc1[C@H](NC(=O)c1cccc(C#N)c1)C1CCOCC1 286946851 RDAHYCSSPMFCKQ-QGZVFWFLSA-N 338.411 2.672 30 50 EFEA Cc1nc(C2CN(c3c(C#N)cnc4c(F)c(F)c(F)cc34)C2)n[nH]1 895328031 KCNZRVAFAZODMU-UHFFFAOYSA-N 344.300 2.554 30 50 EFEA Cc1nnc(SCC(=O)N2CCc3sccc3C2)c(C#N)c1C 193049894 MQBGHPYOHDFTDC-UHFFFAOYSA-N 344.465 2.704 30 50 EFEA N#CC1(c2ccccc2)CC2(CN(C(=O)NCc3cccnc3)C2)C1 1875279211 DDUJELGLKFLZEY-UHFFFAOYSA-N 332.407 2.849 30 50 EFEA C=CCOc1ccccc1CN(CC)C(=O)[C@H]1CC12CCNCC2 55413969 VMAASCCBVLWXGI-QGZVFWFLSA-N 328.456 2.990 30 50 EFEA Cc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C1=C(C[C@@H](C)CC1=O)N2 9060930 LXLIRACUCZYJRS-ADLMAVQZSA-N 337.427 2.921 30 50 EFEA Cc1c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c2ccccc2n1C 101021473 KLGNNRWWNAHGJY-ZRFBJPMCSA-N 333.391 2.628 30 50 EFEA CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101021569 NZYSNXHFFINCNV-UBZWEWJISA-N 344.798 2.880 30 50 EFEA C[C@H](NCc1ccccc1CN1CC[C@@H](O)C1)c1ccc(C#N)cc1 248443119 LGUMQFAESXWNHG-HRAATJIYSA-N 335.451 2.976 30 50 EFEA CCN(CC)C(=O)CSc1nc2c(cc1C#N)N1CCC2CC1 4623378 NVPROYITVNHXNB-UHFFFAOYSA-N 330.457 2.611 30 50 EFEA C[C@H](CC#N)N(C)S(=O)(=O)N(C)Cc1cccc(C(F)(F)F)c1 282998288 NRCGSWCRNVQKQJ-LLVKDONJSA-N 349.378 2.616 30 50 EFEA N#Cc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cn1 301598160 TWACYTYMALKEAT-UHFFFAOYSA-N 326.787 2.569 30 50 EFEA C[C@@H]1C[C@]1(C#N)C(=O)N1C[C@H](COc2ccccc2)OC(C)(C)C1 408519465 ZJJVNTFOQDOHHK-IDHHARJASA-N 328.412 2.621 30 50 EFEA N#Cc1cc(C(=O)NCc2cccc(N3CCCC3=O)c2)ccc1F 170617675 UBIGGVWECDUUAM-UHFFFAOYSA-N 337.354 2.754 30 50 EFEA O=C(c1ccccc1NCC#Cc1ccccc1)N1CCC[C@H](O)C1 190346766 UYGUULDFPCNBKM-SFHVURJKSA-N 334.419 2.747 30 50 EFEA CCOc1cc(=O)n2c(c1C(=O)Nc1ccc(C#N)cc1)CCCC2 169752897 GURILIDKQSDOAU-UHFFFAOYSA-N 337.379 2.707 30 50 EFEA C[C@@H]1CCc2c(sc(NC(=O)C(=O)NCc3ccco3)c2C#N)C1 2882205 WUKRIAWNKPTBKN-SNVBAGLBSA-N 343.408 2.592 30 50 EFEA aggregator Cc1nc2n(n1)[C@@H](c1ccncc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 7496458 VWGDRESWAQKHQB-ACJLOTCBSA-N 347.378 2.990 30 50 EFEA N#Cc1cc2c(nc1SCC(=O)NC1CCCC1)C1CCN2CC1 4707702 JTBIFMXDVYSVJG-UHFFFAOYSA-N 342.468 2.802 30 50 EFEA C=CCn1cc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)c(C)n1 71589626 ODGXAFMDMCFUJS-UHFFFAOYSA-N 333.399 2.602 30 50 EFEA N#CC1(c2ccccc2)CCN(CC(=O)NCCc2ccccc2)CC1 244794682 QRLBCFGKXLTSNA-UHFFFAOYSA-N 347.462 2.903 30 50 EFEA C=CCOc1ccccc1CN1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529094526 HEZBEYUUNHYPKM-RTBURBONSA-N 328.456 2.546 30 50 EFEA C=CCN1C(=O)S/C(=C/c2cn(CC(=O)O)c3ccccc23)C1=O 12343738 HPSHMXOJPXKOSV-RIYZIHGNSA-N 342.376 2.948 30 50 EFEA C#CCCC1(CCC(=O)Nc2cc(C3CCOCC3)nn2C)N=N1 952880335 FQAHKLPSHFQQAA-UHFFFAOYSA-N 329.404 2.608 30 50 EFEA Cc1nc(N2CCN(C)C3(CCOCC3)CC2)c(Cl)cc1C#N 2325766139 BJYYRSFJBYQVNY-UHFFFAOYSA-N 334.851 2.606 30 50 EFEA COc1cccc(CS(=O)(=O)/N=C(/O)[C@@H]2C[C@H]2c2cccnc2)c1 328594378 GOMRJQSHLLQZSL-JKSUJKDBSA-N 346.408 2.680 30 50 EFEA COc1ccccc1O[C@H]1CCCN(C(=O)c2cc(C#N)cn2C)C1 367613788 DUIBTQIQEISLAQ-HNNXBMFYSA-N 339.395 2.589 30 50 EFEA CCOC(=O)[C@]1(C)[C@H](C)CCC[C@@]1(O)C#CCO[C@H]1CCCCO1 43762346 CVILZSNPLPWYFS-KCITZHQASA-N 338.444 2.654 30 50 EFEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2ccccc2F)cc1 222641186 CNMYNELOVNYKNA-QZTJIDSGSA-N 340.354 2.664 30 50 EFEA N#CC1(C#N)[C@@H](c2cccnc2)O[C@@]23CCCCC[C@@H]2[C@@]1(C#N)C(=N)O3 239386666 PWRHDKABVDIAPR-VVWQDTPRSA-N 347.378 2.981 30 50 EFEA N#Cc1ccc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)nc1 163398402 QQUHCXCGACHGAD-UHFFFAOYSA-N 341.314 2.914 30 50 EFEA CSc1ccccc1C(=O)O/N=C1/C(=O)N(C)c2ccccc21 5074086 KLRYOKUFGFCHOL-OBGWFSINSA-N 326.377 2.946 30 50 EFEA C=CCNc1ccccc1C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101270181 AQCBKSQKFLNBER-HOTGVXAUSA-N 349.434 2.706 30 50 EFEA Cc1ccoc1/C(O)=N/[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 328603862 HHHVMXXGJGTFEL-QWHCGFSZSA-N 332.404 2.895 30 50 EFEA Cn1cncc1[C@H]1[C@H](/N=C(/O)C[C@H]2C=CCC2)CCC(=O)N1C1CC1 328969198 ARIPKMMRGRTBTI-ZBQZNYHESA-N 342.443 2.927 30 50 EFEA N#C[C@@H](C(=O)c1cccc(-c2ncn[nH]2)c1)c1cnc2ccccc2n1 241466061 NUJJDZADFPEOMH-CQSZACIVSA-N 340.346 2.905 30 50 EFEA N#Cc1ccc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)cn1 267390410 NJPGZPJZCICTCG-GOSISDBHSA-N 326.375 2.578 30 50 EFEA N#Cc1cc(=NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)[nH]cn1 408514554 RBXFHLTWEQELCF-UHFFFAOYSA-N 347.353 2.774 30 50 EFEA COc1nc(N/N=C/c2ccccc2Cl)nc(N2CCCCC2)n1 5051655 IGWCVYGROVELMN-WOJGMQOQSA-N 346.822 2.970 30 50 EFEA O=C(C#Cc1ccccc1)N[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12437730 OBZZMGXZVBHYHA-OAQYLSRUSA-N 344.458 2.786 30 50 EFEA O=C(C[C@@H]1S/C(=N\N=C2CCCC2)NC1=O)Nc1ccccc1 4313814 UNCINGVPFCJGDB-ZDUSSCGKSA-N 330.413 2.533 30 50 EFEA N#Cc1ccc(N2CCC[C@@H](c3ncc(Br)cn3)C2)nc1 952994607 RFTQFJLIONMXGA-GFCCVEGCSA-N 344.216 2.890 30 50 EFEA C=CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(OC)cc1 4844969 HEHQCUUNDWRKLB-JXAWBTAJSA-N 336.391 2.768 30 50 EFEA COc1ccc(/C=N/[C@@H]2C(S)=NN=C2c2ccccn2)cc1OC 102285660 WGAGEDPBWTYWGU-JJLFXSABSA-N 340.408 2.633 30 50 EFEA Cc1nc(/C(O)=N/Cc2cccc(Cn3cncn3)c2)c(C)s1 328589341 FIJLTWMGBPJFOS-UHFFFAOYSA-N 327.413 2.905 30 50 EFEA Cc1cncc(N=C(O)N2CC[C@H](Oc3cccnc3N(C)C)C2)c1 328616176 BKSDEECAPYJJGK-HNNXBMFYSA-N 341.415 2.550 30 50 EFEA N#Cc1ccccc1Oc1ccc(C(=O)N2CC(O)C2)cc1Cl 170056794 SDQNDBWWKLRIIK-UHFFFAOYSA-N 328.755 2.821 30 50 EFEA C#CCNC(=O)c1ccccc1NC(=O)C[C@@H]1CCO[C@@H](CC)C1 272798273 UBRMHZRKWHLDJJ-CABCVRRESA-N 328.412 2.583 30 50 EFEA C[C@@H]1CCCN(S(=O)(=O)c2oc(-c3ccc(F)cc3)nc2C#N)C1 1775976799 UYKVVVRXNXQCLQ-LLVKDONJSA-N 349.387 2.773 30 50 EFEA N#C[C@@H]1CCC[C@@H](Nc2ccc(F)c(N3CCCS3(=O)=O)c2)C1 252494261 NQCKRRGRRVTPQH-CHWSQXEVSA-N 337.420 2.860 30 50 EFEA C#CCCC1(CCNC(=O)C[C@@H](N)Cc2ccc(C)cc2C)N=N1 2325900921 NQXYRQLMHKYYNS-KRWDZBQOSA-N 326.444 2.645 30 50 EFEA C=CCOc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)OCC)c1 4913226 WOHUYDJDIPWXHB-OAHLLOKOSA-N 332.425 2.607 30 50 EFEA C=CCN1C(=O)/C(=C2/C(=O)N(CC=C)c3ccccc32)SC1=S 4953777 NESDRVFGZLXDMM-YPKPFQOOSA-N 342.445 2.977 30 50 EFEA Cc1ccc(-c2nnc(S)n2N=Cc2ccc(O)c(O)c2)cc1 244734977 NQUFBRIRAYWMLK-UHFFFAOYSA-N 326.381 2.836 30 50 EFEA C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]21C 257359166 YVMJVRXYBPUPKF-QCPSMULASA-N 328.452 2.853 30 50 EFEA C#CC1(O)CCN(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)CC1 685943443 PNTKTMVGLYDKEN-UHFFFAOYSA-N 341.455 2.915 30 50 EFEA Cn1cnc2cc(C(=O)OC[C@H](C#N)Cc3ccc(F)cc3)cnc21 195576987 BVGGJKWEQLDSHZ-ZDUSSCGKSA-N 338.342 2.647 30 50 EFEA N#Cc1ccccc1N1CCN([C@@H]2CCN(c3ccccc3)C2)CC1 1506420172 WVUYLSSNXHGTTQ-HXUWFJFHSA-N 332.451 2.959 30 50 EFEA Cc1ccc(S(=O)(=O)N/N=C\c2ccc([Si](C)(C)C)cc2)cc1 169807360 MKSXYWBHVOTRFP-AQTBWJFISA-N 346.528 2.853 30 50 EFEA Cn1ccnc1[C@H](C#N)C(=O)CCc1ccc(Br)cc1 888099791 XWBMZWXPYZNDMJ-CYBMUJFWSA-N 332.201 2.992 30 50 EFEA O=c1n(C[C@H]2CO2)c(-c2ccccc2)c(-c2ccccc2)n1C[C@H]1CO1 3122838 VITLEIWKDUORIO-ROUUACIJSA-N 348.402 2.781 30 50 EFEA C=CCn1c(COc2cccc(Cl)c2)nnc1SCC(=O)O 4856453 DCXNQDKBRFTICE-UHFFFAOYSA-N 339.804 2.873 30 50 EFEA C=CCn1c(SCC(=O)NC2CC2)nnc1-c1cccc(OC)c1 6725619 ZGPDUBJSBRVQDP-UHFFFAOYSA-N 344.440 2.510 30 50 EFEA C=CCOc1ccccc1CN(CC)C(=O)[C@@H]1CC12CCNCC2 55413967 VMAASCCBVLWXGI-KRWDZBQOSA-N 328.456 2.990 30 50 EFEA N#C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 252467600 VAUFEULEDWIHCC-KZNAEPCWSA-N 341.455 3.000 30 50 EFEA Cc1ccc(C#N)c(N2CCC(NC(=O)c3ccsc3)CC2)n1 160798616 RRYJBYJBUXGFMA-UHFFFAOYSA-N 326.425 2.722 30 50 EFEA N#Cc1cccc(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCCO2)c1Cl 1463694488 RTOBONQNESMSBU-OLZOCXBDSA-N 340.832 2.544 30 50 EFEA CCc1ccc2[nH]c3nc(N/N=C/c4ccc(O)cc4O)nnc3c2c1 5030940 MMZJENFLNKIQJL-DJKKODMXSA-N 348.366 2.926 30 50 EFEA CCCc1cc(=O)[nH]c(/N=C(/N)Nc2cccc(C(F)(F)F)c2)n1 18156334 RILCDAIPWPLEDD-UHFFFAOYSA-N 339.321 2.800 30 50 EFEA CCN(CCC#N)S(=O)(=O)N1CCC[C@H]1c1ccccc1Cl 330032825 SALLVTVTAMAQNQ-HNNXBMFYSA-N 341.864 2.957 30 50 EFEA Cc1nsc(NC(=O)N2CC3(CCOCC3)[C@H]2C(C)C)c1C#N 333943569 RDBRQNYLDBGGOH-CYBMUJFWSA-N 334.445 2.992 30 50 EFEA Cn1cncc1[C@@H]1C[C@H](/N=C(/O)[C@@H]2COc3ccccc32)CCO1 328637990 WFNQBTQQSABRFX-MRRJBJDNSA-N 327.384 2.773 30 50 EFEA Cc1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c(O)n1 376394669 HRVKZCHYQAFGHX-ZDUSSCGKSA-N 340.358 2.571 30 50 EFEA CC(C)[C@@H]1N(S(=O)(=O)c2cncc(C#N)c2)CC12CCCCC2 333890494 GTZHYLPINSTKQO-INIZCTEOSA-N 333.457 2.933 30 50 EFEA C#CCCC1(CCC(=O)N2CCN(C)C[C@@H]2Cc2ccccc2)N=N1 952882687 XHDMDJMZDLNLIX-SFHVURJKSA-N 338.455 2.727 30 50 EFEA C#CCCC1(CCC(=O)NC[C@@H](c2ccco2)N2CCCC2)N=N1 952883755 ZMJBNUXAQKYGOS-HNNXBMFYSA-N 328.416 2.888 30 50 EFEA Cc1ccc(N2CCC[C@@H](/N=C(/O)N3CC[C@H]4CCCC[C@H]43)C2)nn1 328587169 BKEXHSPQWIBVFF-BRWVUGGUSA-N 343.475 2.932 30 50 EFEA Cc1noc(C/N=C(/O)N(C)C[C@H]2CCCc3sc(C)nc32)n1 328627148 MLLWRYHWJJOAME-LLVKDONJSA-N 335.433 2.609 30 50 EFEA C/C(=C1/C(=O)C[C@@H]2[C@H]1C2(C)C)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 888088586 HHVSHINZGPPWNV-HGCJXWPESA-N 338.451 2.786 30 50 EFEA C[C@H]1C(c2cccs2)=[N+]([O-])[C@](C)(C(=O)c2ccc(F)cc2)N1O 2253583 RDXSBVCCCKIEFV-MGPLVRAMSA-N 334.372 2.879 30 50 EFEA CCn1c2ccccc2c2nnc(N/N=C/c3cc(O)ccc3O)nc21 4991265 LEPDXFXALNTWOT-VXLYETTFSA-N 348.366 2.857 30 50 EFEA C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C 4528837 OKKRPWIIYQTPQF-UHFFFAOYSA-N 338.400 2.741 30 50 EFEA biogenic,in-vitro CC(=O)NCc1ccc([C@@H]2CCCN2c2nnc(C)c(C)c2C#N)o1 253417625 AZUHYMXWJMZPGY-INIZCTEOSA-N 339.399 2.536 30 50 EFEA CCn1cc(-c2cc(-c3ccc(OC)nc3)nc(N)c2C#N)cc1C#N 71746806 JAMNREQMYLTPPH-UHFFFAOYSA-N 344.378 2.966 30 50 EFEA N#CCC(=O)N1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1 294540730 MMLZYCRPFMGGFQ-UHFFFAOYSA-N 339.439 2.932 30 50 EFEA CC(C)[C@H](CNC(=O)N1CCC(C#N)(c2ccccc2)CC1)N(C)C 534655272 SCDPYZAEMXARTJ-SFHVURJKSA-N 342.487 2.840 30 50 EFEA Cc1cccc(Cc2nnc(NC(=O)c3cc(C#N)cn3C)s2)c1 1529195333 JZECOLVNUZBGKG-UHFFFAOYSA-N 337.408 2.900 30 50 EFEA Cc1cc(C)cc(OCC/N=C(/O)N[C@@H]2CCO[C@]3(CCOC3)C2)c1 328586913 HPTTXFVLNHQCKI-VQIMIIECSA-N 348.443 2.524 30 50 EFEA N#Cc1cccc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1 253404804 FEZFSWCMSFHOEJ-UHFFFAOYSA-N 340.814 2.959 30 50 EFEA N#CCc1ccc(NC(=O)N[C@@H]2CCN(C3CCC3)C2=O)c(Cl)c1 952885651 KCJZOPFGTPWPFG-OAHLLOKOSA-N 346.818 2.681 30 50 EFEA C#CCCC1(CCC(=O)Nc2cccc(N3CCNC3=O)c2C)N=N1 2325892257 GGLWFGSHDZUJOY-UHFFFAOYSA-N 339.399 2.819 30 50 EFEA C=C(C)COc1cccc(CNC2CCN(C(=O)NCC)CC2)c1 55183062 PFQWCLSYDTZRSQ-UHFFFAOYSA-N 331.460 2.925 30 50 EFEA N#Cc1nccnc1NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O 253432594 LNVWIHYOPJCHJQ-SJLPKXTDSA-N 326.375 2.673 30 50 EFEA C#CCCC1(CCC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)N=N1 2325900979 PIOXVIWWEOMCHO-INIZCTEOSA-N 326.400 2.642 30 50 EFEA COc1ccccc1CC1CCN(C(=O)C2(C#N)CCOCC2)CC1 109143157 MDQPGBORHBTLAO-UHFFFAOYSA-N 342.439 2.797 30 50 EFEA COc1ccccc1CN1CCN(c2cc(C)c(C#N)c(C)n2)CC1 2356167573 SYQKSWMRLPVOGV-UHFFFAOYSA-N 336.439 2.901 30 50 EFEA N#CCCn1cc(C(=O)n2nnc3ccccc32)c(-c2cccs2)n1 3410519 FFUNOZIVXKDFET-UHFFFAOYSA-N 348.391 2.958 30 50 EFEA COc1cc(F)c(CN2CCN(c3cccc(C#N)n3)CC2)c(F)c1 65397147 RXWUMEJQICYUKY-UHFFFAOYSA-N 344.365 2.562 30 50 EFEA COc1cccc(-c2c(C#N)c(N)nc3c2CN(C(=O)C2CC2)CC3)c1 71738792 CYVVQFQSTVVSPJ-UHFFFAOYSA-N 348.406 2.506 30 50 EFEA CO[C@@H]1Cc2ccccc2N(C(=O)Cc2ccc(OCC#N)cc2)C1 376416701 OQOCNSJMLVTJAW-GOSISDBHSA-N 336.391 2.736 30 50 EFEA CC(C)(C)OC(=O)N1C[C@@H](B2OC(C)(C)C(C)(C)O2)C[C@@H]1C(=O)O 575629504 DZJGGDUDPBDRSU-WDEREUQCSA-N 341.213 2.543 30 50 EFEA CC[C@@H]1OCCC[C@H]1C(=O)N1CCCN(c2ccccc2C#N)CC1 277148979 WQXSYGDPPFLNFK-MJGOQNOKSA-N 341.455 2.802 30 50 EFEA COc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Br 169746281 SEOPAIHMIABGAJ-UHFFFAOYSA-N 330.990 2.896 30 50 EFEA CCN(CC)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 405124637 NBIMERSBNJVAMW-UHFFFAOYSA-N 336.216 2.999 30 50 EFEA O/C(=N/[C@H]1CCCN(c2ncccn2)C1)[C@H]1C[C@@H]1c1cccc(O)c1 328588431 GQFOETOKBOQTRZ-UAGQMJEPSA-N 338.411 2.911 30 50 EFEA C[C@H](NC(=O)NS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 1875328275 IYXLXQOOTKLIQL-LBPRGKRZSA-N 335.429 2.515 30 50 EFEA COc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)c(OC)c1 22608029 PHGUCKHXFCGNES-DYZYQPBXSA-N 340.383 2.563 30 50 EFEA N#Cc1ccccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 586853 BPXZMXHSSSODBE-UHFFFAOYSA-N 326.337 2.593 30 50 EFEA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc(C#CC(C)(C)O)o1 65375457 BVHJFOFFKRHXMU-UHFFFAOYSA-N 343.427 2.695 30 50 EFEA COc1ccc(CN[C@H]2CCN(C(=O)Cc3ccccc3)C2)cc1C#N 370265573 IRHILSPEZPAFHH-IBGZPJMESA-N 349.434 2.500 30 50 EFEA CC(=O)[C@@H]1C[C@H](O)[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]12C 257356911 LCDAMWASKLSANR-GBKBKVFGSA-N 346.467 2.665 30 50 EFEA C#C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](O)CC[C@]5(C)[C@@H]3CC[C@@]21C 253499809 ODMURDDTNPVMMD-OBKNWHLLSA-N 330.468 2.886 30 50 EFEA biogenic Cc1cc(O)nc([C@H](C)N2CCC(Oc3cccc(C#N)c3)CC2)n1 192573861 JHAKORQCJUHVNX-AWEZNQCLSA-N 338.411 2.967 30 50 EFEA N#CCc1cccc(C(=O)N2CCC[C@]2(CO)Cc2ccccc2)c1 365112915 WHVUDFXTBURRCU-OAQYLSRUSA-N 334.419 2.962 30 50 EFEA C[C@H](NC(=O)[C@]1(C#N)CCCNC1)c1ccc(C(F)(F)F)cc1 1875291777 LLJSSECIRVMKGZ-NHYWBVRUSA-N 325.334 2.776 30 50 EFEA C(#Cc1cnn(-c2ccccc2)c1)CN1C[C@@H]2C[C@H]1CN2C1CCC1 2325804005 OOLIGFFEIWMCHY-SFTDATJTSA-N 332.451 2.535 30 50 EFEA CC(C)(C)OC(=O)N1CC2(CN(Cc3ccccc3)C[C@@H]2C#N)C1 306602635 LVJIARBAIXJWLV-INIZCTEOSA-N 327.428 2.879 30 50 EFEA OC1=N[C@@H](/C(O)=N/Cc2cccc(Cn3cncn3)c2)CCCC1 328594522 QFXOFIAGDCRAJX-OAHLLOKOSA-N 327.388 2.682 30 50 EFEA Cc1cc(C)n(C/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1 328628524 NTYMSXKRCDFEPT-WMZOPIPTSA-N 327.432 2.544 30 50 EFEA N#Cc1cccc(N2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)n1 72153511 MISKCELIOAPMEO-MRXNPFEDSA-N 336.395 2.805 30 50 EFEA C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1Cc1ccc(Cl)cc1C#N 284746114 JECGVAZOERIUPR-KSZLIROESA-N 334.847 2.964 30 50 EFEA COc1cc(N2CCN(c3snc(C)c3C#N)CC2)ccc1F 286279646 COBCNMDWFFLEOH-UHFFFAOYSA-N 332.404 2.798 30 50 EFEA Cc1ccc([C@H]2C[C@H](C)N(S(=O)(=O)c3cccnc3C#N)C2)cc1 278400073 NQJWRDPOVNDNCN-HOCLYGCPSA-N 341.436 2.828 30 50 EFEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCCCC)C2 14755724 RDURZUUKECVALQ-MRXNPFEDSA-N 344.503 2.942 30 50 EFEA C#CCCC1(CCC(=O)N2CCC(Cc3nc(CC)no3)CC2)N=N1 952883243 YFQUOYQHMZFJGK-UHFFFAOYSA-N 343.431 2.769 30 50 EFEA N#Cc1cncc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)n1 401345389 UURNGIXIIZPLSY-UHFFFAOYSA-N 333.439 2.841 30 50 EFEA C#CCCC1(CCC(=O)N2CCN([C@@H](C)c3cccnc3)CC2)N=N1 2325885764 KPNXZKKJJRBTPK-INIZCTEOSA-N 339.443 2.643 30 50 EFEA C=CCN(Cc1ccc(F)cc1)Cc1cccc(OCC(N)=O)c1 55134242 YPOLCUZCSPGGBF-UHFFFAOYSA-N 328.387 2.878 30 50 EFEA C#C[C@H](NC(=O)N1CCC[C@H]1c1nc(C(=O)OC)c(C)s1)C(C)C 253426389 UDEMOBUQBQMXOQ-STQMWFEESA-N 349.456 2.742 30 50 EFEA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Nc1ccn(CCC#N)n1 186622040 OCDPBGGCWUDTER-UHFFFAOYSA-N 328.332 2.966 30 50 EFEA CCOc1ccc(C(=O)O/N=C(\N)c2ccccc2)cc1OCC 5013235 QMODFMUTEKRDGH-UHFFFAOYSA-N 328.368 2.961 30 50 EFEA CC/N=C(\NCC)S[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 17242937 KVZNZPAIRBYLEN-GFCCVEGCSA-N 339.848 2.691 30 50 EFEA C=CCN(C)C(=O)N[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 249279553 OKUCZINNYBZCPM-MSOLQXFVSA-N 329.444 2.800 30 50 EFEA C=CCNc1cc(N2CCN(C(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-] 4740921 WTPZZUKXOVQTKC-UHFFFAOYSA-N 346.431 2.887 30 50 EFEA CN(C)/C(N)=N/C[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 253432638 MBIMAFRXHDOSRN-UKRRQHHQSA-N 342.409 2.965 30 50 EFEA Cc1nc(N=C(O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)oc1C 328642259 YJNMFOTUQSGROP-HOTGVXAUSA-N 343.431 2.857 30 50 EFEA CC(C)c1nnc2n1CCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]2C 367675999 RZBNYMXSGCXVTB-LLVKDONJSA-N 327.363 2.629 30 50 EFEA Cc1ccc(C#N)c(N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)n1 91475026 DDHCVRFYHFGSRF-FQEVSTJZSA-N 338.455 2.881 30 50 EFEA C=CCOc1cccc(C(=O)N2CCCN(C(=O)CC3CC3)CC2)c1 1772711120 WMHYOIMOBBQDJH-UHFFFAOYSA-N 342.439 2.726 30 50 EFEA CCOc1cccc(/C=N/n2c(S)nnc2-c2ccncc2)c1O 1307751 WZLMATJZJKGUGH-VCHYOVAHSA-N 341.396 2.615 30 50 EFEA Cc1c(CCO)sc[n+]1CC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4750923 PXEDQFWOBVMMCP-FVQBIDKESA-N 340.509 2.883 30 50 EFEA COCc1nc([C@H]2CCCCN2Cc2cc(C#N)ccc2OC)n[nH]1 408473725 KLNHQLBEBDNLIW-OAHLLOKOSA-N 341.415 2.559 30 50 EFEA O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@@H]2CO2)CC1 1875372247 BAJYUZSARFQUGK-ZDUSSCGKSA-N 343.210 2.569 30 50 EFEA C=CCOc1ccc([C@@H]2CC(=O)Nc3[nH]nc(C(=O)O)c32)cc1Cl 65461522 HVZURVZJXIVQLW-VIFPVBQESA-N 347.758 2.800 30 50 EFEA C[C@@H]1CCN(C(=O)Cn2cnc(C#N)c2C#N)c2ccccc2S1 126087100 ODQYUHNDMYFKHW-GFCCVEGCSA-N 337.408 2.544 30 50 EFEA Cc1nc(C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)ccc1C#N 364392094 DWEWGGRPQZHYDG-FQEVSTJZSA-N 333.391 2.923 30 50 EFEA CC(C)n1cc([C@@]2(O)CCCN(c3ccc(C#N)c(Cl)c3)C2)nn1 284666322 WGIWJPYPGBAEMI-QGZVFWFLSA-N 345.834 2.872 30 50 EFEA N#C[C@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)c1ccccc1Cl 183283927 YVZXLRSGSBDIAQ-INIZCTEOSA-N 339.782 2.758 30 50 EFEA N#CC1(C#N)[C@]2(C#N)C(=N)O[C@@]13CCCC[C@@H]3C[C@@]21CCCCC1=O 169466107 WZHIALLOUWXHNU-ZQNRLITLSA-N 336.395 3.000 30 50 EFEA C[C@@H]1NCC[C@@H]1C(=O)Nc1ncc(Cc2ccccc2C#N)s1 2325786545 WJKDULTZGGZIRH-NHYWBVRUSA-N 326.425 2.542 30 50 EFEA C/C(O)=N/c1nc(CC(=O)N(Cc2cccc(C)c2)C(C)C)n[nH]1 55358834 RVUUYYYEGDKQRP-UHFFFAOYSA-N 329.404 2.701 30 50 EFEA Cc1ccc2c(c1)S/C(=C\c1cnc(N3CCOCC3)nc1)C2=O 328589732 KLCHCUGEPSPFMA-SXGWCWSVSA-N 339.420 2.951 30 50 EFEA N#CCC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 252482781 DNOOXWJHXIMAOI-UHFFFAOYSA-N 337.217 2.870 30 50 EFEA Cc1nnc([C@H]2CC23CCN(c2nc4ccccn4c2C#N)CC3)o1 371624562 MPZQAMDABYWEPD-CYBMUJFWSA-N 334.383 2.672 30 50 EFEA N#Cc1ccc(-n2ccc(NS(=O)(=O)c3ccccc3)n2)c(F)c1 376870910 PUGDDFNTJJPVBQ-UHFFFAOYSA-N 342.355 2.684 30 50 EFEA C[C@H](CC#N)NC(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1 284529109 WQOPXTOGBKIMFO-SNVBAGLBSA-N 340.786 2.739 30 50 EFEA N#Cc1ccccc1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 91526819 JLMVXUVPEFCRSA-UHFFFAOYSA-N 346.390 2.597 30 50 EFEA C=CC[C@@H]1CC=C[C@@H](C)N1S(=O)(=O)c1cccc(NC(C)=O)c1 952961396 ZLEPCFAWYAYRPS-CZUORRHYSA-N 334.441 2.929 30 50 EFEA COc1cc(/C=C2/C(=O)c3cccc([N+](=O)[O-])c3C2=O)ccc1O 1772493185 GSMNJNWXOADTTE-XFFZJAGNSA-N 325.276 2.772 30 50 EFEA C=CCN1C(=O)COc2ccc(NC(=O)c3ccccc3OC)cc21 12162640 JAIGWOXDHLVYCD-UHFFFAOYSA-N 338.363 2.859 30 50 EFEA CCN(CC)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 3372247 XQUAAEXNNOWQDW-UHFFFAOYSA-N 341.371 2.854 30 50 EFEA N#C[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)nc2)CCN1C1CC1 376215664 LARGXRSPMKIITR-KRWDZBQOSA-N 348.406 2.686 30 50 EFEA C[C@]1(Br)C[C@@H]1C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 862164487 HFDGDDOKNJQVOM-UHOFOFEASA-N 348.244 2.639 30 50 EFEA C#CCCC1(CCC(=O)N2CC[C@](C(=O)O)(c3ccccc3)C2)N=N1 952876528 VCIUENBYQRKRRC-GOSISDBHSA-N 339.395 2.597 30 50 EFEA Cc1cc(C(F)(F)F)nc(CCN=c2cc(C)c(C#N)c(C)[nH]2)n1 2356169810 HQANAKZGDBEGIC-UHFFFAOYSA-N 335.333 2.764 30 50 EFEA Cc1nc2n(n1)[C@H](c1ccncc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 7496449 VWGDRESWAQKHQB-SCLBCKFNSA-N 347.378 2.990 30 50 EFEA O=[N+]([O-])c1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 59857813 KUCJIFOCYPORBJ-RIYZIHGNSA-N 331.244 2.857 30 50 EFEA Cc1c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc2n1C 101021470 KLGNNRWWNAHGJY-KKSKEVDBSA-N 333.391 2.628 30 50 EFEA N#Cc1cccc(N2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)n1 67804777 JGOUDEDHNRZZME-LJQANCHMSA-N 325.387 2.914 30 50 EFEA C=C(C)Cn1c([C@@H]2COc3ccccc32)nnc1N1CC[C@H](OC)C1 1343232062 DBYCOOFRRGNMHS-GOEBONIOSA-N 340.427 2.604 30 50 EFEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1Nc1ncc(C#N)cc1Cl 275301109 HOXHZHNNQTYTDG-ZFWWWQNUSA-N 331.807 2.899 30 50 EFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 13286630 YAWYILARLSRBPE-GOSISDBHSA-N 341.407 2.844 30 50 EFEA C=CCN1CC[C@@H](N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1=O 252509739 YUNWVFIQIZNGLP-RTBURBONSA-N 349.434 2.743 30 50 EFEA CC1(C)CC(=O)C2(C(=O)C1)[C@H](c1ccccc1[N+](=O)[O-])C2(C#N)C#N 5523105 ALBJJMHPKSFFTI-OAHLLOKOSA-N 337.335 2.670 30 50 EFEA C=CCn1cc(CN2C[C@H](CCC)[C@@H](NC(=O)C3CCC3)C2)cn1 91706359 RLTIAUSPQTUBOA-ROUUACIJSA-N 330.476 2.586 30 50 EFEA COc1cccc([C@H]2[C@H](NC(=O)C(C)(C)C#N)CCN2C2CC2)c1 222191895 AENKPMIPWXLKPA-SJORKVTESA-N 327.428 2.639 30 50 EFEA Cc1ccc(NC(=O)CSc2nnc(/N=C/N(C)C)s2)cc1 13154505 JQNGPAZPUVGMTG-OQLLNIDSSA-N 335.458 2.799 30 50 EFEA COc1ccc([C@H](O)[C@H]2CCCN2/C(O)=N/CC(F)(F)F)cc1 328588316 NTHGHFGEQWEAFC-OLZOCXBDSA-N 332.322 2.669 30 50 EFEA COc1ccc(N=C(O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cn1 328611207 KPPMUWKRBAUFAE-BBRMVZONSA-N 330.388 2.806 30 50 EFEA N#Cc1cccc(OCCCCC(=O)NCCc2ccc(O)nc2)c1 408517249 DMXOZCJJLWQUGL-UHFFFAOYSA-N 339.395 2.567 30 50 EFEA CC1(C)OB(c2cc(Br)c(C#N)cc2F)OC1(C)C 169951911 WVXNCZKNBKPFGO-UHFFFAOYSA-N 325.974 2.759 30 50 EFEA CC[C@@](C)(C#N)C(=O)N1CC(C)(c2nnc(-c3ccccc3F)o2)C1 952893093 RJGDULHFRZGHGI-KRWDZBQOSA-N 342.374 2.915 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)N=N1 2325886423 WXLHCJUPBNPPLQ-CVEARBPZSA-N 327.432 2.603 30 50 EFEA C#CCCC1(CCNC(=O)[C@]23C[C@H]2CN(Cc2ccccc2)C3)N=N1 2325901006 QIBATEMEPASPRA-HKUYNNGSSA-N 336.439 2.590 30 50 EFEA C/N=C(/N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[C@@H](c2cnn(C)c2)C1 225416484 SEXGTSAUZJHWAK-KBAYOESNSA-N 329.492 2.754 30 50 EFEA COc1cccc(C(=O)N[C@H](C#N)c2ccccc2F)c1[N+](=O)[O-] 225508280 FKUJIYQWSKKFHF-CYBMUJFWSA-N 329.287 2.737 30 50 EFEA C=CCn1c(=N)n(C[C@H](O)COc2ccc(C)cc2)c2ccccc21 20059823 QGLSSUCRDNQJLE-INIZCTEOSA-N 337.423 2.857 30 50 EFEA Cc1ccc(C#N)c(N2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)n1 91475023 DDHCVRFYHFGSRF-HXUWFJFHSA-N 338.455 2.881 30 50 EFEA CCc1cc(C#N)ccc1NC(=O)N(C)CCCCN1CCOCC1 299761649 XFUHADACPORUJS-UHFFFAOYSA-N 344.459 2.697 30 50 EFEA N#Cc1cccc(S(=O)(=O)N2CCC[C@H]2[C@H]2CCCO2)c1Cl 1463694493 RTOBONQNESMSBU-QWHCGFSZSA-N 340.832 2.544 30 50 EFEA CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(C#N)nc2)CC1 277532039 YHBGLENTSUBGHM-MRXNPFEDSA-N 344.459 2.586 30 50 EFEA CC(C)(C)OC(=O)Nc1csc(B2OC(C)(C)C(C)(C)O2)n1 170007093 NYSODBNJZCZYHO-UHFFFAOYSA-N 326.227 2.789 30 50 EFEA N#CCSCC(=O)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 155923746 JJDCHBOHIAGWOA-MSOLQXFVSA-N 343.496 2.756 30 50 EFEA CN(CCC[C@H]1CCCO1)C(=O)c1cccc(C#CC(C)(C)O)c1 952986918 BROKHHVWJGPLIX-SFHVURJKSA-N 329.440 2.840 30 50 EFEA Cc1ccc(CN2CCN(/N=C/c3ccc(O)c(O)c3)CC2)cc1 19882205 RKGDDBZIAUEDAP-DEDYPNTBSA-N 325.412 2.558 30 50 EFEA O=C(O)c1ccc(/C=N/n2c(-c3ccncc3)n[nH]c2=S)cc1 1299977 SLFZYBZXACLQBZ-RQZCQDPDSA-N 325.353 2.583 30 50 EFEA N#CCOc1ccc(NC(=O)C[C@H](Cc2ccccc2)C(=O)O)cc1 1875360673 FLRPFMQTLDANSE-HNNXBMFYSA-N 338.363 2.861 30 50 EFEA CC(C)Cc1ccc(C#N)c(N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)n1 1875398969 KOUILMDREZBYOP-ZTFGCOKTSA-N 339.443 2.600 30 50 EFEA C=CCNC(=S)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 1877908 ZRSKZMMPSPNTAD-LICLKQGHSA-N 330.369 2.839 30 50 EFEA CCCCSc1ncc(-c2c(C#N)c(N)nc3c2CNCC3)cn1 72145740 CSTBRPVABPAYRA-UHFFFAOYSA-N 340.456 2.530 30 50 EFEA CO[C@H]1Cc2ccccc2N(C(=O)Cc2ccc(OCC#N)cc2)C1 376416702 OQOCNSJMLVTJAW-SFHVURJKSA-N 336.391 2.736 30 50 EFEA Cc1ccc(-c2n[nH]cc2CN2CC[C@H](Oc3ccc(C#N)cn3)C2)o1 367779485 NPAXJINCAUUXGV-INIZCTEOSA-N 349.394 2.898 30 50 EFEA CC(C)(C(=O)O)c1c[nH]c2ccc(B3OC(C)(C)C(C)(C)O3)cc12 261507084 FCWNIHDCSGTOKP-UHFFFAOYSA-N 329.205 2.829 30 50 EFEA O=C1CCC(c2ccccc2)=C1CC(=O)N1CCC[C@@H]1C1(O)CC1 1772816117 IUNZUQHAIGGSRL-GOSISDBHSA-N 325.408 2.709 30 50 EFEA COc1ccc(C[C@@H]2S/C(=N\N=C\c3ccccc3)NC2=O)cc1 18209337 ORBPMTHUNPEMBU-QUYZQLMHSA-N 339.420 2.859 30 50 EFEA CN(C)Cc1nc(C(C)(C)/N=C(/O)c2cc(C(C)(C)C)on2)no1 330900113 OEXWJRDHIMYSFF-UHFFFAOYSA-N 335.408 2.657 30 50 EFEA N#C[C@H]1CSCCN1S(=O)(=O)c1ccc2ccccc2c1F 451376264 NSMSOLLGILMZGZ-LBPRGKRZSA-N 336.413 2.609 30 50 EFEA CC(C)(C)OC(=O)N1CC(C#CC(=O)NCc2cccc(Cl)c2)C1 1875335390 GKTIVMYNUFICLR-UHFFFAOYSA-N 348.830 2.827 30 50 EFEA C=C(C)COc1ccccc1C(=O)N[C@H](C(=O)O)c1c(C)n[nH]c1C 67983533 QYNNVKPXJBCUIM-INIZCTEOSA-N 343.383 2.537 30 50 EFEA C[C@@H]1CC[C@H](/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)O1 328632753 SCMKVFCALGVKCT-OUAUKWLOSA-N 331.338 2.988 30 50 EFEA COc1cccc([C@@H]2C[C@H](C)CN2CC(=O)N[C@](C)(C#N)C2CC2)c1 374603803 LRXMACOXPSFGJY-ADLFWFRXSA-N 341.455 2.887 30 50 EFEA Cc1ccc(OC2CCN(C(=O)Cc3noc(C)c3C#N)CC2)cc1 332246483 BCGPXQOHJZMQAP-UHFFFAOYSA-N 339.395 2.776 30 50 EFEA Cc1oc(/C=N/NS(=O)(=O)c2ccccc2)cc1Br 454245 CZTDTGOBEBLURF-RIYZIHGNSA-N 343.202 2.663 30 50 EFEA N#CCc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 19800238 SRYCDRFUMGTAIV-UHFFFAOYSA-N 335.407 2.837 30 50 EFEA C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]1c1ccccc1Cl 253398621 GLOCWMARVNKAMD-SWLSCSKDSA-N 341.864 2.813 30 50 EFEA C=C(C)C[C@@H]1N(c2ccccc2F)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 4981379 VSBXQTUZEZYYDS-PPLBCVRQSA-N 343.354 2.532 30 50 EFEA CCc1c(NCC(=O)NC2(C#N)CCC2)cnn1-c1ccccc1C 225726344 ILPOFUSYRXBJNQ-UHFFFAOYSA-N 337.427 2.718 30 50 EFEA C=CCC[C@H](CN(C)Cc1cccnc1)Oc1nccc(OC)n1 67965972 ZBBBSVKEFDVTGW-MRXNPFEDSA-N 328.416 2.726 30 50 EFEA O=[N+]([O-])c1cnn(C/C(O)=N/Cc2ccc(N3CCCCC3)cc2)c1 328592917 ZEKRXILJQWSOBG-UHFFFAOYSA-N 343.387 2.938 30 50 EFEA Cc1cc(N2CCC3(CCC(=O)N(C4CC4)C3)CC2)nc(C)c1C#N 91860609 RFJALHMHPRCEQV-UHFFFAOYSA-N 338.455 2.942 30 50 EFEA C=CCc1cccc(/C=N/n2c(S)nnc2-c2cccnc2)c1O 1247310 VVQVHWLPJHDXEJ-YBFXNURJSA-N 337.408 2.945 30 50 EFEA COc1cccc(/C=N\N2CCN(c3ccccc3OC)CC2)c1 13111248 HGXOGRBXPZNIIT-HKWRFOASSA-N 325.412 2.860 30 50 EFEA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(Cc2cccc(C#N)c2)C1 339081489 ICQPXFDPROKMLD-GJZGRUSLSA-N 325.334 2.590 30 50 EFEA Cc1cccc2c1NC(=O)/C2=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4737447 RZWPAPJQPIQIFG-UHFFFAOYSA-N 341.283 2.580 30 50 EFEA Cc1ccc2[nH]c3nc(N/N=C/c4ccc([N+](=O)[O-])o4)nnc3c2c1 4990090 SKPPJCVVQXEGJI-FRKPEAEDSA-N 337.299 2.762 30 50 EFEA N#Cc1cccnc1N1CCC[C@](CO)(Cc2ccc(F)cc2)C1 67675709 KAAILPHQDRSFQY-IBGZPJMESA-N 325.387 2.914 30 50 EFEA Cc1noc([C@H](N/C(O)=N/C(C2CC2)C2CC2)C2CCOCC2)n1 328624730 KCOSBEKFQDWRSA-OAHLLOKOSA-N 334.420 2.538 30 50 EFEA CN(C)/C(N)=N/C[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 253432637 MBIMAFRXHDOSRN-HIFRSBDPSA-N 342.409 2.965 30 50 EFEA Cc1nnc([C@@H]2CC23CCN(c2nc4ccccn4c2C#N)CC3)o1 371624563 MPZQAMDABYWEPD-ZDUSSCGKSA-N 334.383 2.672 30 50 EFEA N#Cc1cccnc1N1CCC(N[C@@H]2CCN(c3ccccc3)C2)CC1 1506400676 FRFMCHGNVWHGGZ-LJQANCHMSA-N 347.466 2.791 30 50 EFEA C=CCNC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 12587035 MJGXMSATKCHNOP-LJQANCHMSA-N 345.418 2.536 30 50 EFEA N=c1nc2c(c[nH]1)CCc1[nH]c3ccc(C#Cc4ccncc4)cc3c1-2 1875376379 VDDRBMLTVYICJA-UHFFFAOYSA-N 337.386 2.931 30 50 EFEA C=C1CC[C@H]2[C@@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O 36374413 GVRNTWSGBWPJGS-ORZNMBHWSA-N 334.456 2.992 30 50 EFEA biogenic CC#CC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 252507887 WVXZFWXHNOBZDS-UHFFFAOYSA-N 335.245 2.553 30 50 EFEA Cc1ccc(C#N)c(N2CCc3nc(C)nc(NC4CC4)c3CC2)n1 72410919 MQEKKNNNKSYGQK-UHFFFAOYSA-N 334.427 2.540 30 50 EFEA C=CCn1c(SCc2nccn2C2CC2)nnc1C1CCNCC1 426428751 JDKIHZZQERJNED-UHFFFAOYSA-N 344.488 2.755 30 50 EFEA CN(C1(C#N)CCC1)S(=O)(=O)c1ccc(CC(F)(F)F)cc1 191786854 LTSJCVSWFDJDHS-UHFFFAOYSA-N 332.347 2.858 30 50 EFEA Cc1ccc(O[C@H]2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)cn1 372999856 IOAGYHWPZREYRF-IBGZPJMESA-N 347.418 2.973 30 50 EFEA CC(=O)N1C[C@@H](NC(=O)C2(C#N)CCCCC2)CC[C@@H]1C(F)(F)F 886036576 WVTCWMQBQIVJHU-QWHCGFSZSA-N 345.365 2.518 30 50 EFEA CO[C@@H]1C[C@@H](COc2cccnc2)N(c2ccc(F)cc2C#N)C1 1775956970 IXULCXMILSGAQZ-DOTOQJQBSA-N 327.359 2.765 30 50 EFEA C=CCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3C)CC2)C1 55325554 GISJLGMPAYKLHT-GOSISDBHSA-N 327.472 2.684 30 50 EFEA CCc1ncsc1/C(O)=N/[C@@H](c1nc(C)no1)C1CCOCC1 328611049 KDZNXUITHVAXFS-GFCCVEGCSA-N 336.417 2.869 30 50 EFEA CCN/C(=N\C[C@@H]1CCO[C@H]1C(C)(C)C)NCC[C@@H]1CCCO1 206073648 GPOXKQKDPGILJQ-HRCADAONSA-N 325.497 2.562 30 50 EFEA C#Cc1cccc(NC(=O)CN(C)c2nnc(C(F)(F)F)s2)c1 170604224 RAWQJSGGWFYFGK-UHFFFAOYSA-N 340.330 2.613 30 50 EFEA C=CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(C(=O)OC)=C1C 120687 BLAXDRDBRUZGRU-VBKFSLOCSA-N 326.396 2.611 30 50 EFEA COc1cccc([C@@H]2C[C@H](O)CN2CCOc2cccc(C#N)c2)c1 225731351 KMQGWOQJPFPRPW-PXNSSMCTSA-N 338.407 2.754 30 50 EFEA O=C1C[C@H](C(O)=Nc2ccccc2-c2nc[nH]n2)CN1C1CCCC1 328586471 XBMQBTAEJQZVRJ-LBPRGKRZSA-N 339.399 2.851 30 50 EFEA CC(C)C#CC(=O)N1Cc2cnn(-c3ccncc3)c2CC(C)(C)C1 952894127 PTPQSKCIVFXQBA-UHFFFAOYSA-N 336.439 2.838 30 50 EFEA C=CCCCS(=O)(=O)NC(=O)c1scnc1C1CCCC1 1875285197 GILIBPMCVOYHOW-UHFFFAOYSA-N 328.459 2.827 30 50 EFEA CC(=O)C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc([N+](=O)[O-])cc1 450043 HVLPFDOKDTZXJZ-LBPRGKRZSA-N 345.336 2.540 30 50 EFEA C=CCN1CCN(Cc2cccc(O[C@@]34CCCN(CC3)C4)c2)CC1 67490935 MRUVLLLRCLXOAW-NRFANRHFSA-N 341.499 2.607 30 50 EFEA CC[C@H](C/N=C(/O)N1C[C@@H](C(=N)O)O[C@H](C)C1)Oc1cccc(C)c1 328588176 YUPJKUGAFQPWEW-FMKPAKJESA-N 349.431 2.691 30 50 EFEA C/C(=N\N1CCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 5369887 QFCSRGFPAOMMAE-XMHGGMMESA-N 325.372 2.536 30 50 EFEA Cn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/CCc1cc(F)cc(F)c1 328636622 VPOFYBKIZBSZCH-GDBMZVCRSA-N 335.354 2.975 30 50 EFEA CC[C@](C)(C#N)C(=O)N1CC(C)(c2nnc(-c3ccccc3F)o2)C1 952893097 RJGDULHFRZGHGI-QGZVFWFLSA-N 342.374 2.915 30 50 EFEA N#Cc1c(NC(=O)C[C@H]2OCCc3ccsc32)nc2n1CCS2 1875259221 GJYCEMYQAHETET-LLVKDONJSA-N 346.437 2.565 30 50 EFEA CCOC(=O)Cc1ccc(N=C(O)c2ccc(F)c(C#N)c2)cn1 328590602 DYCWQRPWASOTIC-UHFFFAOYSA-N 327.315 2.834 30 50 EFEA N#Cc1ccc(NCC2CCN(C[C@H](O)c3ccccc3)CC2)cn1 253431497 HIILDYWKLULPDG-FQEVSTJZSA-N 336.439 2.811 30 50 EFEA C[C@H]1OCC[C@@]1(C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 332784828 DBRJBCYBBGWRGE-BFUOFWGJSA-N 345.418 2.597 30 50 EFEA CC(C)(C)[C@H]1OCC[C@@H]1/C(N)=N/OCC(=O)Nc1ccc(F)cc1 170613174 TYDGWAWKNQJMMD-ZFWWWQNUSA-N 337.395 2.504 30 50 EFEA COc1ccccc1N1CCN(/N=C/c2ccccc2[N+](=O)[O-])CC1 230035 BPOLBBXOCLEQRW-XMHGGMMESA-N 340.383 2.760 30 50 EFEA COc1cccc(/C=N\N2CCN(Cc3ccc(C)cc3)CC2)c1O 15659393 JLYYXAWEYZAXRF-STZFKDTASA-N 339.439 2.861 30 50 EFEA Cc1ccc(N/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)cn1 328644418 ZHLDHPPKKIQUSZ-RDJZCZTQSA-N 325.416 2.804 30 50 EFEA N#Cc1cccnc1N1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 1057960658 OMSHBYXZUFDFSW-MOPGFXCFSA-N 346.434 2.842 30 50 EFEA C#CCN1CCC[C@H]1c1nc(-c2cc(OCC(F)F)ccn2)no1 952876823 YPQGLUGYXWYDLZ-ZDUSSCGKSA-N 334.326 2.546 30 50 EFEA COc1cc(/C=N/N=C(N)N)ccc1OCc1ccc(Cl)cc1 4673077 KYQYSANJUCXXCA-AWQFTUOYSA-N 332.791 2.535 30 50 EFEA Cc1ccc(C(=O)N2CCSCC2)cc1N=C(O)N1CCCCO1 328589641 HOWOMQQYEJOAPL-UHFFFAOYSA-N 349.456 2.757 30 50 EFEA Cc1cccc(N2C[C@@H](C)N(C(=O)c3ccc(C#N)cc3)CC2=O)c1 82146786 RVRLJGVNIMUEPH-OAHLLOKOSA-N 333.391 2.744 30 50 EFEA COc1ccc(-c2nnc(S)n2N=Cc2ccccc2O)cc1 239173624 OHWQRVAHTCKZNF-UHFFFAOYSA-N 326.381 2.830 30 50 EFEA N#Cc1cnc(NCC[C@H]2CCCCN2Cc2ccccc2)nc1N 1506409102 OEIFMQXDLFLVIJ-QGZVFWFLSA-N 336.443 2.787 30 50 EFEA NC(=S)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4366036 AIELOGHXVAZIHQ-GIJQJNRQSA-N 333.800 2.726 30 50 EFEA C[C@@]1(O)CCCN(C(=O)NCCSCc2ccccc2C#N)CC1 242389230 ZVIPXXMHEDOSPU-GOSISDBHSA-N 347.484 2.738 30 50 EFEA C#CCCC1(CCC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)N=N1 1875368581 BWSDPGSMKUKAKA-SFHVURJKSA-N 335.411 2.821 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H]2CCC[C@H]2Cc2cc(C)nn2C)N=N1 2325886327 MMZSOFBJVHGLCN-DOTOQJQBSA-N 341.459 2.912 30 50 EFEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(N)ccn1 55310598 JRHNJNWTTMAGIO-UHFFFAOYSA-N 335.367 2.542 30 50 EFEA CCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1OCC 170004410 JAMXXXGGFOBCHE-UHFFFAOYSA-N 333.237 2.524 30 50 EFEA Cc1ccc(N2CCCN(c3nc(C)c(C#N)cc3Cl)CC2)nn1 292597375 MAVIUGQJZYWKAB-UHFFFAOYSA-N 342.834 2.730 30 50 EFEA CC(C)Oc1cccc(C(=O)[C@@H](C#N)C(=O)NC2CCCCC2)n1 167798941 ZYJAWQWGOWJFOR-CQSZACIVSA-N 329.400 2.640 30 50 EFEA CCOc1cc(/C=N/n2c(S)nnc2-c2ccccn2)ccc1O 1275492 AIRMVKWKDYOSMK-VCHYOVAHSA-N 341.396 2.615 30 50 EFEA N#Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857725437 WXWCRZVJTLXMRE-WSTZPKSXSA-N 347.418 2.502 30 50 EFEA CC(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 6741053 ZXTRCHSOBUBZGQ-LLVKDONJSA-N 345.468 2.942 30 50 EFEA C[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1cccnc1C#N 428261480 UOQYVIZWRJEDHD-JTQLQIEISA-N 337.351 2.613 30 50 EFEA N#Cc1cc(C(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c[nH]1 277922551 PJWQEZIZUSXPKM-SECBINFHSA-N 337.305 2.648 30 50 EFEA O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccnc1)n1ncnc1N2 4707499 UJEUWDIFWMBAQY-PXAZEXFGSA-N 333.351 2.682 30 50 EFEA C[C@@](O)(C#Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 350847 QHDIWNGAMDBUEV-HXUWFJFHSA-N 325.383 2.922 30 50 EFEA CCCn1ncc(-c2cc(-c3cc(C#N)n(C)c3)c(C#N)c(N)n2)c1C 71770905 XCKYVRDZDCHUFS-UHFFFAOYSA-N 345.410 2.995 30 50 EFEA CO[C@H]1C[C@@H](NC(=O)N2C[C@@H](C#N)[C@H](c3ccccc3)C2)C1(C)C 332983965 SELQUWBVIDZJIV-TWMKSMIVSA-N 327.428 2.749 30 50 EFEA N#Cc1cncc(N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 333474377 BFPGPBDEXTZXJY-LBPRGKRZSA-N 326.322 2.534 30 50 EFEA CC[C@@H](Cn1ccnc1)NC(=O)CC1=C(c2ccccc2)CCC1=O 426370360 IVAUGMLCCMFWTL-INIZCTEOSA-N 337.423 2.985 30 50 EFEA CC(=O)[C@@H]1C[C@H](O)[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]12C 257357025 LQEJOAGSAHRUCT-CWQYXLLMSA-N 344.451 2.873 30 50 EFEA CC(C)(C)OC(=O)N1CC2(CN(Cc3ccccc3)C[C@H]2C#N)C1 306602636 LVJIARBAIXJWLV-MRXNPFEDSA-N 327.428 2.879 30 50 EFEA Cn1ccnc1N1CCC(/N=C(/O)Cc2cccc(F)c2F)CC1 328792849 ZWLXVJGFAUCQER-UHFFFAOYSA-N 334.370 2.866 30 50 EFEA N#Cc1ccccc1OCC(=O)N1C[C@@H](C#N)[C@H](c2ccccc2)C1 366517797 HSCMWKDVUICAOB-MSOLQXFVSA-N 331.375 2.703 30 50 EFEA C#CCSc1nc(O)c2c(n1)NC(=O)C[C@@H]2c1cccc(F)c1 4944428 FOJXTHUXWNAMIV-LLVKDONJSA-N 329.356 2.521 30 50 EFEA C=CCOc1ccc([C@H]2CC(=O)Nc3[nH]nc(C(=O)O)c32)cc1Cl 65461523 HVZURVZJXIVQLW-SECBINFHSA-N 347.758 2.800 30 50 EFEA Cn1nccc1CN1CC2CCC1(C/N=C(/O)OC(C)(C)C)CC2 328597973 JUFUXGONFWJEQP-UHFFFAOYSA-N 334.464 2.894 30 50 EFEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1ccc(C#N)cn1 328641808 XZZJBWQEMRKBIK-LBPRGKRZSA-N 335.333 2.867 30 50 EFEA C[C@@H]1c2ccccc2O[C@@H]1CNS(=O)(=O)Cc1cccc(C#N)c1 366130578 ROVLAHZIVPIRIR-FZKQIMNGSA-N 342.420 2.542 30 50 EFEA Cc1ccccc1[C@@H]1C(=O)NCCN1CCCC1(C#N)CCOCC1 369058700 YRWDPEDFXZXHPN-GOSISDBHSA-N 341.455 2.569 30 50 EFEA Cc1ccsc1[C@H]1CCN(Cc2cc(C#CCO)cs2)C[C@@H]1O 210431461 GODVMQAGVIOUMM-IRXDYDNUSA-N 347.505 2.812 30 50 EFEA C=CCn1c(CN(C)Cc2ccoc2)nnc1SC[C@H]1CCCO1 11882308 SIXLHKLUUSDXMO-OAHLLOKOSA-N 348.472 2.960 30 50 EFEA C=CCN1CCc2c(c(C(=O)NC3CCCC3)nn2CC(C)C)C1 14733022 MNGBLPHRLXJNRX-UHFFFAOYSA-N 330.476 2.756 30 50 EFEA N#Cc1ccccc1-n1cc(-c2ccc(Br)nc2)nn1 2325818174 CIMREEWOPBEJJN-UHFFFAOYSA-N 326.157 2.963 30 50 EFEA C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OC)c(OC)c1 2838136 WTMMBITVBOYAAQ-UHFFFAOYSA-N 340.379 2.872 30 50 EFEA CS(=O)(=O)C1(/C(O)=N/C[C@@H]2CCC3(CCCCC3)O2)CCC1 330083089 KOFFYJVKGXHCRI-ZDUSSCGKSA-N 329.462 2.792 30 50 EFEA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(c2ccc(C#N)cc2)CC1 328642107 QVFZLRIYECCQJQ-HXUWFJFHSA-N 349.438 2.756 30 50 EFEA CC(C)(C#N)c1ccccc1CN1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 284640465 CBHRWJTVUXAYOK-QXAKKESOSA-N 328.456 2.850 30 50 EFEA N#Cc1c[nH]c(C(=O)NCC2CCN(Cc3cccs3)CC2)c1 175477034 VWCQFRMJKXVMLR-UHFFFAOYSA-N 328.441 2.590 30 50 EFEA OCCN1CCN(CC#CCC(c2ccccc2)c2ccccc2)CC1 19371873 APGRXFDDSFKVQF-UHFFFAOYSA-N 348.490 2.822 30 50 EFEA CSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C1=C(CCCC1=O)N2 6677822 NYIIYQOGHPLTPP-AWEZNQCLSA-N 328.397 2.728 30 50 EFEA C=C(C)COc1cccc(C(=O)N(CCOC)Cc2cnn(C)c2)c1 55252527 KVMSWWVSDVGOPF-UHFFFAOYSA-N 343.427 2.664 30 50 EFEA N#C[C@H](NC(=O)[C@H]1C[C@H]1c1cccnc1)c1cnn(-c2ccccc2)c1 239667130 BOZUXYRDPMMBBI-FHWLQOOXSA-N 343.390 2.752 30 50 EFEA Cc1nc(C2CC2)oc1C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 241586447 OWBZNBODASMTCA-GFCCVEGCSA-N 325.372 2.668 30 50 EFEA CC(C)(C)OC(=O)N[C@]1(C#N)CCN(C(=O)OCc2ccccc2)C1 698346715 LSTVAQIBEQYMQX-SFHVURJKSA-N 345.399 2.816 30 50 EFEA CC#CC(=O)N1CCC[C@](Cc2ccc(F)cc2F)(C(=O)OCC)C1 12385482 FGHGMVRVCAIUKH-LJQANCHMSA-N 349.377 2.703 30 50 EFEA CC[C@@]12COC(=O)N1CCN(c1nc3ccccc3c(C)c1C#N)C2 1857675738 DKDBIXYTNPHPDN-LJQANCHMSA-N 336.395 2.836 30 50 EFEA CC(C)(C)c1ccc(C#N)c(NC[C@@H](C(=O)O)C2CCOCC2)n1 863736268 PCEOKZWUFAYJOQ-CQSZACIVSA-N 331.416 2.790 30 50 EFEA N#C[C@@H]1COCCN1C(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1 864057675 OAOYONHOUUGNOU-BFTHVDOESA-N 328.265 2.767 30 50 EFEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)Nc2nc(C)c(C)o2)cn1 328633079 SJTXEQPRQZKWOR-UONOGXRCSA-N 333.392 2.754 30 50 EFEA N#Cc1cc(C(=O)N2CCC[C@H](Oc3ccc(Cl)cn3)C2)c[nH]1 367733736 YBLVMRRDZPDSMK-AWEZNQCLSA-N 330.775 2.618 30 50 EFEA CCN(Cc1ccc(-c2ccccc2C#N)o1)[C@@H]1CCS(=O)(=O)C1 77470239 AOUIQMLTEOXXEX-OAHLLOKOSA-N 344.436 2.827 30 50 EFEA O=C(O)c1cccc(C#Cc2cccc(NC(=O)[C@H]3CCOC3)c2)c1 238200307 NWJUHKRSOCXEOV-KRWDZBQOSA-N 335.359 2.760 30 50 EFEA CN(Cc1ccc(-n2cccn2)cc1)Cc1ccc(C#CCO)s1 952964969 RBLLGXUURRVRQN-UHFFFAOYSA-N 337.448 2.910 30 50 EFEA N#Cc1cccc([C@H]2CN(C(=O)CCc3ccc(O)cc3)CCO2)c1 253419605 QDUHUPHDTRUHGL-LJQANCHMSA-N 336.391 2.797 30 50 EFEA C#CCCC1(CCC(=O)N2CCN(c3ccccc3F)CC2)N=N1 952880658 GYKXRJPIVHHJJC-UHFFFAOYSA-N 328.391 2.830 30 50 EFEA C#CCCC1(CCC(=O)N2CCc3cccc(OC)c3CC2)N=N1 952881599 OMUREBRXKJMLRH-UHFFFAOYSA-N 325.412 2.978 30 50 EFEA CO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(c2ncccc2C#N)C1 888078962 NQYSVXHYSISEOM-WBVHZDCISA-N 346.394 2.705 30 50 EFEA C#CCCC1(CCC(=O)NC[C@](O)(c2ccccc2)C2CC2)N=N1 2325886325 LVVXNFMNEKXDJR-IBGZPJMESA-N 325.412 2.756 30 50 EFEA Cc1ccc(CN2CCN(CC#Cc3ccccc3)C[C@H]2CCO)o1 104499463 AQXOOBWCBMAATG-HXUWFJFHSA-N 338.451 2.508 30 50 EFEA N#CC1(C#N)[C@H](C(=O)c2ccc(Cl)cc2)[C@]12CC[C@H]1CO[C@H]2O1 100249588 YBGTXIWVFNFQLD-QEWYBTABSA-N 328.755 2.708 30 50 EFEA biogenic CCCn1cnc2cc(C(=O)OC)cc(B3OC(C)(C)C(C)(C)O3)c21 170008548 IDNWDCGVDOREIS-UHFFFAOYSA-N 344.220 2.532 30 50 EFEA Cc1nnc(C(=O)N2CCC(/N=C(/O)c3ccsc3)CC2)s1 329412583 DLRFPAFYDVGJPM-UHFFFAOYSA-N 336.442 2.517 30 50 EFEA Cc1nc(N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)sc1C 152521233 LHPKGAJPIXFKPG-UHFFFAOYSA-N 341.440 2.986 30 50 EFEA C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 242346881 ZJVUBWCFZCKJRJ-KFKAGJAMSA-N 344.455 2.761 30 50 EFEA C[C@H]1CC[C@@H](C2CCC2)CN1Cc1cc(O)n2ncc(C#N)c2n1 2325778614 GNRLHTKHRIHFHM-GXTWGEPZSA-N 325.416 2.707 30 50 EFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(O)c1 4665779 BADMFIGZWYVFLU-KRWDZBQOSA-N 327.380 2.923 30 50 EFEA C=CCOc1ccc(/C=C2/SC(N)=NC2=O)cc1Br 9387258 BVEZZGRFKCLZHE-YRNVUSSQSA-N 339.214 2.943 30 50 EFEA COc1ccccc1N1CC[C@@H](Sc2cc(C#N)ccn2)C1=O 121653583 IYUYVMQATSAZDV-OAHLLOKOSA-N 325.393 2.859 30 50 EFEA N#Cc1ccccc1N1CCCN(C(=O)c2conc2C2CC2)CC1 253418275 NRJIJJMSAOOKFQ-UHFFFAOYSA-N 336.395 2.776 30 50 EFEA C=CCc1cc(CN2C[C@H](CC)O[C@@]3(CCOC3)C2)cc(OC)c1O 240423786 FQVBHLDZHJNYMA-PXNSSMCTSA-N 347.455 2.899 30 50 EFEA CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)C[C@H](COc2ccccc2)O1 284434877 DJCMQMMTGHDAPB-MRXNPFEDSA-N 339.395 2.585 30 50 EFEA Cc1ccc(S(=O)(=O)O[C@@H]2[C@H]3[C@H]4S[C@H]5[C@H]2[C@@H]2[C@@H]3C[C@@H]4[C@H]52)cc1 248009770 IJOQHVCJLFLQPZ-DZOCIFFESA-N 334.462 2.695 30 50 EFEA COCc1nc(O)cc([C@H]2C[C@H](Nc3cc(C)c(C#N)c(C)n3)C2)n1 253535555 CUGIVZGOVQQKFU-JOCQHMNTSA-N 339.399 2.570 30 50 EFEA Cc1cc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)ccn1 270993337 DOIGVMNCJHCHCP-UHFFFAOYSA-N 335.411 2.611 30 50 EFEA CC(C)Cn1cc(C(=O)[C@H](C#N)C(=O)N[C@H]2CCCC[C@H]2C)cn1 170593736 VEVXYXNUAQHHAA-KBMXLJTQSA-N 330.432 2.556 30 50 EFEA C=C[C@@H]1OCC[C@H]1CNc1ncnc2c1cnn2-c1ccccc1F 1120052133 KJOOPFGDCRCGAW-LRDDRELGSA-N 339.374 2.958 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H]2CCO[C@H]2c2ccnn2C(C)C)N=N1 952880104 IZXIHKRPSXMBKE-RHSMWYFYSA-N 343.431 2.766 30 50 EFEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCOc2cccc(C#N)c2)C1 888102976 XSGIIDOICICMKG-MSOLQXFVSA-N 340.427 2.739 30 50 EFEA Cc1ccc(S(=O)(=O)/N=C(\N)Nc2nc3ccccc3s2)cc1 5101257 GGDBKSSQOMYQNJ-UHFFFAOYSA-N 346.437 2.720 30 50 EFEA C=CCN(c1ccc(C(=O)N(C)c2ccccc2)cc1)S(C)(=O)=O 13613554 CNUMRYHAORFQNA-UHFFFAOYSA-N 344.436 2.915 30 50 EFEA Cc1c(F)cccc1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 421580661 WGPJKFPLTZWJBL-AWEZNQCLSA-N 325.343 2.694 30 50 EFEA NC(=O)c1ccc[n+](CC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 1958012 BYNQIQRJYDAJJR-UHFFFAOYSA-O 329.379 2.527 30 50 EFEA C=CCOc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCC)c1 4913227 WOHUYDJDIPWXHB-HNNXBMFYSA-N 332.425 2.607 30 50 EFEA N#Cc1cccc(C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)c1 253417118 RTVAKZNSTOLUPY-IBGZPJMESA-N 333.435 2.853 30 50 EFEA Cc1c(C#N)cccc1NC(=O)N1CCN(c2ncccc2F)CC1 242140834 WPQLMFVODFXCAV-UHFFFAOYSA-N 339.374 2.755 30 50 EFEA C=CCNC(=O)[C@@H](C)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 229685043 HHPRLMZFYGWVFF-NVXWUHKLSA-N 338.455 2.947 30 50 EFEA CC(C)N1CCC[C@@]2(CCCN2C(=O)c2cc(F)cc(C#N)c2)C1=O 2356159537 FYCVPGOHVINUQL-LJQANCHMSA-N 343.402 2.703 30 50 EFEA COc1cc(C=Nn2cnnc2)cc(Br)c1OC(C)C 8536301 IFHRCKARRHWMEX-UHFFFAOYSA-N 339.193 2.719 30 50 EFEA O=C(/C=[N+](\[O-])[C@@H]1CCC/C1=N/O)c1ccc(Br)cc1 102198484 FNFRELLIMRSRID-DZBULWGWSA-N 325.162 2.596 30 50 EFEA C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCOC[C@H]1C 252486460 KIZMJSMSEOXLAK-ZIAGYGMSSA-N 333.457 2.740 30 50 EFEA Cc1cccnc1CN1CCN(c2nc3c(cc2C#N)CCCC3)CC1 77504565 RCZBNQAAOCDLKX-UHFFFAOYSA-N 347.466 2.858 30 50 EFEA CCOC(=O)c1cn(CC(=O)Nc2cccc3ccccc23)nc1C#N 1875346995 GUWICLTXYYPUFM-UHFFFAOYSA-N 348.362 2.723 30 50 EFEA C#CCCC1(CCNC(=O)c2c(C)nn([C@@H]3CCCCO3)c2C)N=N1 2325887382 MBGWDVOCSFPSAG-HNNXBMFYSA-N 343.431 2.894 30 50 EFEA C=CCn1c(SCC(=O)OCC)nnc1-c1ccc([N+](=O)[O-])cc1 189719 OELUWCNENVJYDI-UHFFFAOYSA-N 348.384 2.695 30 50 EFEA N#Cc1ccnc(N2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 67818304 YYXOGUTXYKVMFO-LJQANCHMSA-N 325.387 2.914 30 50 EFEA CC(C)c1noc([C@H](/N=C(/O)Cc2cnn(C)c2)C2CCOCC2)n1 330312982 WVILPXNAFIINHL-OAHLLOKOSA-N 347.419 2.593 30 50 EFEA CCS[C@@H]1CCCCN(/C(O)=N/C[C@@H]2CCCN(C(C)=O)C2)C1 328588344 CHVOMPWNXZKMMR-JKSUJKDBSA-N 341.521 2.767 30 50 EFEA Cc1cc(C)c(/C(N)=N/OC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)n1 4784157 VWOXUABVVIJNRQ-UHFFFAOYSA-N 348.746 2.737 30 50 EFEA C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 242346880 ZJVUBWCFZCKJRJ-ATZDWAIDSA-N 344.455 2.761 30 50 EFEA C[C@]1(C2CCCC2)NC(=O)N(CCCC2(C#N)CCOCC2)C1=O 374522804 RKTDVCFNNDGXBG-QGZVFWFLSA-N 333.432 2.588 30 50 EFEA CCCN(CC#N)S(=O)(=O)Cc1ccc(Br)cc1 170615577 IICVRDINOMZTRS-UHFFFAOYSA-N 331.235 2.514 30 50 EFEA C=CCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2OC)C1=O 2126721 HVDSBAJHUDQICA-FMIVXFBMSA-N 335.381 2.935 30 50 EFEA C#CCN(CC=C)C(=O)c1cc(COc2ccc(C(C)=O)cc2)on1 12593402 MCOBLBIEUWGGJQ-UHFFFAOYSA-N 338.363 2.718 30 50 EFEA C=CCn1c(=O)c(C(=O)Nc2nc(C)cs2)c(O)c2ccccc21 100478667 ACIHUUDPSKNVCP-UHFFFAOYSA-N 341.392 2.910 30 50 EFEA C=C(C)COc1cccc(CNCc2ccc(S(N)(=O)=O)cc2)c1 55387166 BEGRFGLTYUNDQJ-UHFFFAOYSA-N 346.452 2.579 30 50 EFEA N#C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1Cl 172026283 CQAJMHVYLQRCIG-CYBMUJFWSA-N 330.731 2.825 30 50 EFEA N#CC1(c2ccccc2)CCN(Cc2cccc(OCC(N)=O)c2)CC1 215467905 MDMRBCSHZGJPNK-UHFFFAOYSA-N 349.434 2.608 30 50 EFEA C/N=C(/O)c1cc2cc(N/C(O)=N/[C@@H]3CCO[C@@H]3C3CC3)ccc2[nH]1 328588829 RECDSOBDYNTSLW-GDBMZVCRSA-N 342.399 2.996 30 50 EFEA CCc1ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc1S(C)(=O)=O 241587987 OYTRMYSZMDDGBP-KRWDZBQOSA-N 336.457 2.711 30 50 EFEA COCc1cc(/C=C/C(=O)c2c(O)cc(C)oc2=O)ccc1OC 227173031 YTMZJDFDEULRTN-GQCTYLIASA-N 330.336 2.705 30 50 EFEA C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(O)c1 194970157 NTFOIENJTKGJIR-IFXJQAMLSA-N 335.407 2.716 30 50 EFEA O/C(=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1)Nc1cccnc1 328634805 UGIFZGZGJVJQPS-SNVBAGLBSA-N 339.321 2.885 30 50 EFEA C#CCCC1(CCC(=O)NCc2ccccc2Cn2ccnc2)N=N1 2325891913 DIGZCYMQZJLXDP-UHFFFAOYSA-N 335.411 2.903 30 50 EFEA Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)NC2=C1C(=O)CCC2 100421576 VHDDYRQZBLLDOK-SNVBAGLBSA-N 332.787 2.730 30 50 EFEA N#C[C@@H](C(=O)CN1CCN(c2ccccc2F)CC1)c1ccccc1 35026051 MSIBOLNRWXJKGH-QGZVFWFLSA-N 337.398 2.824 30 50 EFEA CN1CC[C@@H](C/N=C(/O)COCC(F)(F)F)[C@@H]1c1cccnc1 328626785 MCRUNRSOCFLMGU-JSGCOSHPSA-N 331.338 2.610 30 50 EFEA C/N=C(/N[C@@H]1C[C@H]1C1CCCCC1)N1CC[C@@H](c2cnn(C)c2)C1 241816022 SEXGTSAUZJHWAK-BPQIPLTHSA-N 329.492 2.754 30 50 EFEA CN(CCCOc1ccc(Cl)cc1)C(=O)C1(C#N)CCOCC1 109140800 LNVUNNTYHOOZJN-UHFFFAOYSA-N 336.819 2.888 30 50 EFEA N#Cc1cnc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cn1 274708587 SRSFDKYZCZCFFN-IEBWSBKVSA-N 333.439 2.839 30 50 EFEA C=CCc1cc(CN2CC[C@H](C)C[C@H]2C(=O)OC)cc(OC)c1O 170599915 SVARBLAKKGZKMU-BBRMVZONSA-N 333.428 2.903 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)c2ccccc2Cl)cc1OC 4592565 DZXACYFQXDFHCX-UHFFFAOYSA-N 334.759 2.835 30 50 EFEA C=CCn1cc(CNC[C@@]2(c3ccc(F)cc3)CCOC2)c(C)n1 55199988 RJGZGCKKKINRQV-IBGZPJMESA-N 329.419 2.965 30 50 EFEA CC1(C)C[C@H](NS(=O)(=O)CCCC#N)c2ccc(F)cc2O1 364346290 NSTTYXYBVFIOBH-ZDUSSCGKSA-N 326.393 2.651 30 50 EFEA C=CC[C@]1(C(=O)O)CCCN(CCC(=O)NCc2ccc(C)cc2)C1 91365200 BQGILDWJUSBMJO-FQEVSTJZSA-N 344.455 2.744 30 50 EFEA C=CC[C@@]1(CO)CCCN(C(=O)c2cccc(N3CCCC3=O)c2)C1 92107677 KPFKQIVWBCHGPN-HXUWFJFHSA-N 342.439 2.604 30 50 EFEA O=C1N=C(N/N=C/c2ccc3c(c2)OCO3)S[C@@H]1c1ccccc1 448731 KIPHSKOKKHDXTO-QANDDYDISA-N 339.376 2.710 30 50 EFEA C=CCOc1ccccc1/C=C1/SC(=S)N(CCC(=O)O)C1=O 2522377 QBKKLAJNJMZYPI-JLHYYAGUSA-N 349.433 2.927 30 50 EFEA O/C(=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)Nc1cccnc1 328634804 UGIFZGZGJVJQPS-JTQLQIEISA-N 339.321 2.885 30 50 EFEA COc1nsc(OC)c1CN1CCO[C@H](c2cccc(C#N)c2)C1 952995341 JBYHHCCASNBYMR-HNNXBMFYSA-N 345.424 2.605 30 50 EFEA C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccco1 2859363 LWDDWCHJWIQDIP-UHFFFAOYSA-N 347.425 2.911 30 50 EFEA C=CCNc1ccccc1C(=O)N(CCCOC)C1CCN(C)CC1 55575475 RVWUHNDBJHGJDX-UHFFFAOYSA-N 345.487 2.857 30 50 EFEA CC(=O)N(C)c1cccc(N=C(O)N[C@]2(C)CCO[C@@H]2C2CC2)c1 328587277 UBAQEICCDBPSFE-SJLPKXTDSA-N 331.416 2.762 30 50 EFEA N#Cc1ccc(Br)c(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 191676199 UPLGOSUVAVWISR-CHWSQXEVSA-N 345.196 2.772 30 50 EFEA C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](CSc2ccccc2)C1 229836933 RVWTYGGZAKDEFA-LSDHHAIUSA-N 347.484 2.501 30 50 EFEA C=CCc1cc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)ccc1OC 1704340128 OJALPWUWKSQMIH-NHCUHLMSSA-N 344.499 2.702 30 50 EFEA Cc1nc(NCc2cc(O[C@@H]3CCNC3)ccn2)c(Cl)cc1C#N 818628440 KTZSGERZTCWEIO-OAHLLOKOSA-N 343.818 2.663 30 50 EFEA C=CC(=O)N(C)c1ccc(C(=O)N2CC[C@@H](CC#N)C(F)(F)C2)cc1 1875373516 DEMATGBHIJPJMB-CQSZACIVSA-N 347.365 2.846 30 50 EFEA C#CCCC1(CCC(=O)NCCN(C)[C@@H](C)c2ccccn2)N=N1 2325892934 UPKDNBBRMXVUKK-HNNXBMFYSA-N 327.432 2.546 30 50 EFEA Cc1cc(C)c(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)cc1C 1795823 HZPXIYBBUBJBJH-UHFFFAOYSA-N 345.376 2.528 30 50 EFEA CCCCCCCCCCn1c(S)nc2c1c(=O)[nH]c(=O)n2C 1882209 RZUHLCDYTBWHBE-UHFFFAOYSA-N 338.477 2.853 30 50 EFEA CC1(C)OB(c2ccc(F)cc2C(=O)NC2CCCC2)OC1(C)C 170004098 OBUCTVXBUJULSC-UHFFFAOYSA-N 333.212 2.797 30 50 EFEA COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C(F)(F)F)c1 170006949 AYHRJMPGPKEQBG-UHFFFAOYSA-N 330.111 2.791 30 50 EFEA CC1(C)OB(c2ccc(N)c(C(=O)c3ccccc3F)c2)OC1(C)C 170005831 SGMWDKRILNOXGA-UHFFFAOYSA-N 341.191 2.938 30 50 EFEA C=CCn1cc(-c2c(C#N)c(N)nc3c2Cc2c(O)cccc2-3)cn1 71754761 KYZZYOJTBWKUBC-UHFFFAOYSA-N 329.363 2.862 30 50 EFEA N#Cc1c(F)cccc1C(=O)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 376159843 ZNKZMKAZIRAQOZ-CVEARBPZSA-N 338.382 2.936 30 50 EFEA N#CCSCC(=O)N1CCN(CC(F)(F)F)c2ccccc21 242389623 ZYXOMKIDRCOBOL-UHFFFAOYSA-N 329.347 2.659 30 50 EFEA CCc1noc(C)c1Cn1c(C)c(Br)cc(C#N)c1=O 274077749 QNTHPZCVAYKUDK-UHFFFAOYSA-N 336.189 2.698 30 50 EFEA CC[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(C#N)c1 128499719 QTFJUTLEIQRQMY-KRWDZBQOSA-N 344.436 2.520 30 50 EFEA C#CCCC1(CCC(=O)Nc2ccccc2N=c2ccn(C)[nH]2)N=N1 2325892347 KGOQROGUUMSTLK-UHFFFAOYSA-N 336.399 2.880 30 50 EFEA CC1(C)CC(=O)C=C(C(=O)NCCCc2nc3ccccc3s2)O1 67755014 ABXYAECGQYSDCN-UHFFFAOYSA-N 344.436 2.997 30 50 EFEA COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc2c1OCCO2 122047918 BCELTUQFKWFYIP-LBPRGKRZSA-N 349.346 2.833 30 50 EFEA C#CCOc1c(CN2CCC3(CCNCC3)CC2)cccc1OC 72164827 HGYBCPAQMYHPJP-UHFFFAOYSA-N 328.456 2.673 30 50 EFEA CN1CCC(Oc2ccc(CNC(=O)CC(C)(C)C#N)cc2)CC1 284472016 LZFKSPILPNJBDE-UHFFFAOYSA-N 329.444 2.716 30 50 EFEA Cc1c(C(=O)N(C)Cc2cc(-c3ccccc3)no2)cnc(O)c1C#N 72423768 JROAPZAMTQEBOI-UHFFFAOYSA-N 348.362 2.895 30 50 EFEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1[C@@H]1CCOC(C)(C)C1 71764740 PXSTYDLGTYRTKM-GFCCVEGCSA-N 325.416 2.917 30 50 EFEA CCc1nccn1[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C1 286656606 DXGJVEXGSOINRY-ZDUSSCGKSA-N 340.387 2.649 30 50 EFEA Cc1cccc(N2C[C@H](C)N(C(=O)c3ccc(C#N)cc3)CC2=O)c1 82146784 RVRLJGVNIMUEPH-HNNXBMFYSA-N 333.391 2.744 30 50 EFEA C=CC[C@@H]1CC=C[C@@H](C)N1CC(=O)NCc1cc(C(=O)O)ccc1C 1529092625 WAFGZKROGOHAHU-CRAIPNDOSA-N 342.439 2.905 30 50 EFEA C/N=C(/O)[C@H]1CN(Cc2ccc(N3CCCCC3)c(C)c2)CCO1 328597964 JQSYPUDZVTVFGG-GOSISDBHSA-N 331.460 2.772 30 50 EFEA O=S(=O)([C@@H]1C[C@H]2CC[C@@H]1[C@@H]1O[C@@H]12)N1CC=C(c2ccccc2)CC1 2325891764 HXDUETSTNKETKA-ZRSRNVLSSA-N 345.464 2.671 30 50 EFEA Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1cc(C#N)cn1C 328616987 CFMXOBWHNNSRIK-ZDUSSCGKSA-N 328.441 2.854 30 50 EFEA CCC(=O)N(C1=C(NC(C)C)C(=O)c2ccccc2C1=O)C(C)C 20445359 AZNCPCJYSLBFHV-UHFFFAOYSA-N 328.412 2.922 30 50 EFEA COCC[C@H](CO)/N=C(/O)Nc1cc(-c2ccccc2)nn1C(C)C 328597856 JCNSOOXEOBHHAD-OAHLLOKOSA-N 346.431 2.854 30 50 EFEA C#CCCC1(CCNC(=O)c2ccnn2CCc2ccccc2)N=N1 2325891405 DWKLSVPPFKRVKI-UHFFFAOYSA-N 335.411 2.821 30 50 EFEA N#Cc1cc(Cl)ncc1NS(=O)(=O)c1ccc(F)c(F)c1 225530346 TVGXYJHUKUYIHQ-UHFFFAOYSA-N 329.715 2.686 30 50 EFEA CCCc1c(C(C)C)nc(N)c(C#N)c1-c1cn(CCO)nc1C 71661315 PAGBAOMHYJFYJS-UHFFFAOYSA-N 327.432 2.776 30 50 EFEA COC[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC(C)(C)O1 285500559 NAPODQLLZGJOGL-MRXNPFEDSA-N 328.412 2.508 30 50 EFEA C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cncc(C#N)n1)C2 707889739 PQLZGZHUNSTUFD-BGYRXZFFSA-N 333.439 2.697 30 50 EFEA C#CCN(C)C/C=C/C(=O)N1CCc2oc(-c3ccccc3)cc2C1 1875387677 SFXDOCAHSNIVDL-JXMROGBWSA-N 334.419 2.953 30 50 EFEA C#CCCC1(CCC(=O)NC[C@@]2(C(=O)O)CC3CCC2CC3)N=N1 2325900643 CYMVPPYNASIFIF-KVULBXGLSA-N 331.416 2.739 30 50 EFEA C=CCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 55211214 BZPKSWVCTNLHMU-MRXNPFEDSA-N 331.435 2.515 30 50 EFEA COC[C@@](C)(C#N)NC(=O)c1cc(Cl)cc(F)c1Br 253415360 OLICCSBIFRRLRQ-GFCCVEGCSA-N 349.587 2.900 30 50 EFEA CN1CCC(N(CCc2ccccc2)C(=O)c2ccc(C#N)nc2)CC1 72480661 GUYDIFSQQVGGJA-UHFFFAOYSA-N 348.450 2.732 30 50 EFEA COc1ccc([C@@H]2CCCN2C(=O)c2cc(C#N)cn2C)c(OC)c1 363364501 SPTHEPNRHDYEHP-INIZCTEOSA-N 339.395 2.891 30 50 EFEA Cc1ccc(C)c(N/C(N)=N\c2nc(O)cc(C(F)(F)F)n2)c1 15745913 XYIRRGRSUBDELK-UHFFFAOYSA-N 325.294 2.876 30 50 EFEA C=CCNC(=O)[C@H](C)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 229685051 HHPRLMZFYGWVFF-DOTOQJQBSA-N 338.455 2.947 30 50 EFEA Cc1cc(N2CCC[C@H](/N=C(/O)N3CC[C@H]4CCCC[C@H]43)C2)n(C)n1 328587346 FZIUXZKNPBLLGQ-IXDOHACOSA-N 345.491 2.876 30 50 EFEA C=CCC(C)(C)CN1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704331022 MSCHELDYXKZGKS-FXAWDEMLSA-N 331.456 2.969 30 50 EFEA COc1cc(OC)c2ncc(C#N)c(N3CCCN(C)CCC3)c2c1 1776005897 PEQABOVOGUQSJP-UHFFFAOYSA-N 340.427 2.656 30 50 EFEA COc1cc(OC)cc(C(=O)[C@H]2O[C@@H]2c2ccc3c(c2)OCO3)c1 6453620 IJQCFXVZGJBTKN-QZTJIDSGSA-N 328.320 2.755 30 50 EFEA C=CC[C@@]1(CO)CCCN(C2CCN(C(=O)c3ccccc3)CC2)C1 91872950 JFHVFRHTOZYEFC-OAQYLSRUSA-N 342.483 2.942 30 50 EFEA CC(C)(O)C#Cc1ccc(CN2CCC[C@@H](c3ccncn3)C2)cc1 97730191 UFBOCMZICAHTEQ-LJQANCHMSA-N 335.451 2.979 30 50 EFEA N#CCN1CCC(OC(=O)c2cccc(Br)c2F)CC1 170613599 XXQJCQARPPJVMN-UHFFFAOYSA-N 341.180 2.733 30 50 EFEA Cc1nnc(-c2ccc(NC(=O)Nc3ccn(CCC#N)n3)cc2)o1 170605373 ZSTBRPLVOAFMPO-UHFFFAOYSA-N 337.343 2.799 30 50 EFEA Cn1ccc([C@H](/N=C(/O)c2ccnnc2)c2ccc(Cl)cc2)n1 328587462 WMYAPCYYMIARGE-OAHLLOKOSA-N 327.775 2.958 30 50 EFEA O=C1Nc2ccc(Br)cc2C1=NNc1ccccc1O 1875339318 ZZJNQDHIYHZZEF-UHFFFAOYSA-N 332.157 2.923 30 50 EFEA C#CCCC1(CCNC(=O)c2cnc(-c3ccccn3)s2)N=N1 2325887198 XTQDSJNTGVHVMJ-UHFFFAOYSA-N 325.397 2.901 30 50 EFEA CC(=O)[C@]1(C)N(O)C(C)(C)C(c2ccc(Br)cc2)=[N+]1[O-] 2955113 DILPOLPFPWHAPD-AWEZNQCLSA-N 341.205 2.537 30 50 EFEA Cc1cc(C#N)c(N2CC[C@@]3(CCCN(C(C)C)C3=O)C2)nc1C 91519305 QRFYVHQNBBNXCD-IBGZPJMESA-N 326.444 2.797 30 50 EFEA Cc1nnc([C@H](C)N2CCN(c3ccc(C#N)cc3Cl)CC2)o1 277755422 LVSGBRXNOWTQHH-NSHDSACASA-N 331.807 2.786 30 50 EFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccsc1 2820154 MLZXPNCCKXHGIT-INIZCTEOSA-N 347.436 2.906 30 50 EFEA COc1ccccc1[C@@H](C#N)NC(=O)C(F)(F)c1ncccc1C 225604537 JMCGWIIBDBEIJD-CYBMUJFWSA-N 331.322 2.872 30 50 EFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cnn(CC)c1C 5728160 ISDTWAKQYQPYBS-KRWDZBQOSA-N 343.427 2.742 30 50 EFEA C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1)NC(=O)CCN2C 172718955 YMQOVMFVACVXDB-UHFFFAOYSA-N 341.333 2.656 30 50 EFEA Cc1cc(C)cc(N2CCN(C(=O)c3ccc(C#N)cc3)CC2=O)c1 77300962 AGLULYAEXUVTAU-UHFFFAOYSA-N 333.391 2.664 30 50 EFEA COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](CO)C3)cc2)cc1 95560373 VSLWUPHHCFQTDB-LJQANCHMSA-N 349.430 2.940 30 50 EFEA in-vitro C/N=C1\NN=C(c2ccc(OC)cc2)CCN1c1ccc(OC)cc1 96027842 MGSAUSMKYMTWDO-UHFFFAOYSA-N 338.411 2.894 30 50 EFEA N#Cc1cccc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)n1 91985611 UUJVUDFGWUXDDO-KRWDZBQOSA-N 344.422 2.977 30 50 EFEA CC1(C)OB(c2cccc(I)c2)OC1(C)C 169746021 HSHFNMSHDHAHDN-UHFFFAOYSA-N 329.974 2.590 30 50 EFEA in-vitro Cn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/Cc1nc2ccccc2n1C 328628717 NZAHGXAIKPAWIH-SJKOYZFVSA-N 339.399 2.541 30 50 EFEA CC(C)c1nc2n(n1)C[C@H](/N=C(/O)c1cccc3nccnc13)CC2 329679153 QSFBNOCNYPDVKA-GFCCVEGCSA-N 336.399 2.664 30 50 EFEA N#Cc1c(F)ccc(CNCC2(O)Cc3ccccc3C2)c1Cl 365448206 BQBJQVHPBFILDE-UHFFFAOYSA-N 330.790 2.970 30 50 EFEA Cc1cc(C#N)cc(C)c1CC(=O)N[C@@](C)(C(=O)O)c1ccccc1 902086378 FDSPJZOZJOMSDC-HXUWFJFHSA-N 336.391 2.834 30 50 EFEA C#CCCC1(CCC(=O)NC[C@H](c2ccco2)N2CCCC2)N=N1 952883756 ZMJBNUXAQKYGOS-OAHLLOKOSA-N 328.416 2.888 30 50 EFEA C=CC(=O)N1CCC(C(=O)N(CCC)Cc2ccc(C#N)cc2)CC1 1875365738 UNWSPGHFTPKKQB-UHFFFAOYSA-N 339.439 2.721 30 50 EFEA N#Cc1cnn2c(O)cc(CN3CC[C@H]4CCCCC[C@@H]4C3)nc12 2325771982 JOFIWYCIVRSCRR-ZIAGYGMSSA-N 325.416 2.709 30 50 EFEA C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC[C@H](C(N)=O)C2)c1 617279 PIEZTIFHVKMTKT-HNNXBMFYSA-N 329.444 2.862 30 50 EFEA Cc1c(C(=O)CSc2ncc(C#N)c(N)n2)c2ccccc2n1C 4973760 NYQCMJSPPFPHNI-UHFFFAOYSA-N 337.408 2.706 30 50 EFEA Cc1nn(-c2ccccc2)c(O)c1/C=N/N1C(=O)c2ccccc2C1=O 6556350 VVPZTVMXUPUBJI-RGVLZGJSSA-N 346.346 2.516 30 50 EFEA N#Cc1c(N)c(I)cc(Br)c1F 15443841 DTXQKEMULUBLLM-UHFFFAOYSA-N 340.921 2.647 30 50 EFEA C=CCN(CC=C)Cc1cnc(S(=O)(=O)CC)n1CCCC 19791029 GKUWOYKPLLEGDT-UHFFFAOYSA-N 325.478 2.651 30 50 EFEA C=CCN1C(=O)/C(=N\N=C\c2cccc([N+](=O)[O-])c2)c2ccccc21 5494988 YLPGVGCPGMSTRX-PRAGTUARSA-N 334.335 2.951 30 50 EFEA COC(=O)N1CCC[C@H](C(=O)Nc2nc3ccccc3cc2C#N)C1 1875323114 XREYYKMIDDYUAE-ZDUSSCGKSA-N 338.367 2.523 30 50 EFEA O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cccnc1)n1ncnc1N2 4707478 UJEUWDIFWMBAQY-YVEFUNNKSA-N 333.351 2.682 30 50 EFEA C=CCn1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 10149011 GGCUZXMAUROEAQ-QMMMGPOBSA-N 342.186 2.572 30 50 EFEA COC(=O)c1cc(Cl)ccc1N=C(O)N1CCC[C@](C)(O)CC1 328588112 UEXFKESOSHWNKV-INIZCTEOSA-N 340.807 2.909 30 50 EFEA N#CCOc1ccccc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 282196091 SOHARYIOLPKBAV-DJIMGWMZSA-N 328.412 2.745 30 50 EFEA CC(=O)NC[C@@H]1CCCN(Cc2ncc(-c3ccc(C#N)cc3)o2)C1 159732758 LYGNBGXZRAORBE-INIZCTEOSA-N 338.411 2.561 30 50 EFEA O=[N+]([O-])c1cccc(C=NNc2nnc3c(n2)[nH]c2ccccc23)c1O 252679487 NGQOOZFSDQRCBC-UHFFFAOYSA-N 349.310 2.566 30 50 EFEA C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)c2cccnc2O1 189055379 HUUYDPUIHQQVRX-CYBMUJFWSA-N 337.379 2.925 30 50 EFEA OC[C@@H](CN1CCCCC1)/N=C(/O)c1csc(Br)c1 330608211 MNXOGGULFYOJJV-LLVKDONJSA-N 347.278 2.662 30 50 EFEA CC1(C)Cc2c(cnn2-c2ccccn2)CN(c2ccnc(C#N)n2)C1 952895248 SMFONRBDZDLOFV-UHFFFAOYSA-N 345.410 2.518 30 50 EFEA N#Cc1cc(O)cc(C(=O)N2CCOC[C@@H]2c2cc(F)cc(F)c2)c1 1875339087 VTNCYKOKDWPQOS-QGZVFWFLSA-N 344.317 2.756 30 50 EFEA C#CCCC1(CCC(=O)N2Cc3ccccc3[C@@H](C(=O)OC)C2)N=N1 2325885751 CUPHYUWAMRBPOT-INIZCTEOSA-N 339.395 2.641 30 50 EFEA C#CCOc1ccc(/C=C2\SC(=S)N(CCOC)C2=O)cc1 2986423 OBIKXARRBUYPQN-KAMYIIQDSA-N 333.434 2.546 30 50 EFEA CN(Cc1nccn1C(F)F)/C(O)=N/C1CC(N2CCCCC2)C1 328588768 OXJUBANQPZCGSB-UHFFFAOYSA-N 341.406 2.641 30 50 EFEA OC1=NCCN(c2ccc(N=C(O)Cc3cnccn3)cc2Cl)C1 328589798 FWTZIDDYCZXDEQ-UHFFFAOYSA-N 345.790 2.737 30 50 EFEA O=C([C@@H]1CC12CCN(/C(O)=N/CC(F)(F)F)CC2)N1CCCCC1 328586937 FWCSEQNEVJIQAL-LBPRGKRZSA-N 347.381 2.577 30 50 EFEA N#Cc1cc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)c[nH]1 378471446 LYSMVXLUZPOBQZ-SECBINFHSA-N 337.305 2.648 30 50 EFEA COc1ccc(C[C@H]2S/C(=N/N=C/c3cccs3)NC2=O)cc1 5214311 JCBUCMHNESYHIN-NGWPFTMJSA-N 345.449 2.921 30 50 EFEA Cc1c(N[C@@H](C(N)=O)c2ccc(C#N)cc2)cnn1-c1ccccc1 126474803 CRMCBOBELYQNRF-GOSISDBHSA-N 331.379 2.691 30 50 EFEA C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCCC[C@H]1CCC(=O)O 237503406 VQKKNKSBQJTGFO-HIFRSBDPSA-N 330.384 2.571 30 50 EFEA C#C[C@H](NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1)C(C)C 242106191 WHTOVDMFFIZXOY-IBGZPJMESA-N 343.471 2.617 30 50 EFEA Cc1cc(Cl)c(C(=O)N(CCC#N)CCN2CCOCC2)cc1C 170593605 DVWLKPUBFQFGMQ-UHFFFAOYSA-N 349.862 2.645 30 50 EFEA C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC1=CCOC1=O 257429966 GVRNTWSGBWPJGS-DSJDWBEOSA-N 334.456 2.992 30 50 EFEA biogenic Cn1nccc1[C@H]1CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 928995916 MGNBPVJDNZKQCY-MRXNPFEDSA-N 343.818 2.721 30 50 EFEA C#CCCC1(CCC(=O)N2CCO[C@H](COc3ccccc3)C2)N=N1 952879653 GHGWBKRDMXKZSC-KRWDZBQOSA-N 341.411 2.649 30 50 EFEA CC/N=C(\NCC)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 4957372 MBPUCDHIHDIIIU-GFCCVEGCSA-N 339.848 2.691 30 50 EFEA COc1cc(/C=C/C(=O)c2c(O)cc(C)oc2=O)cc(OC)c1OC 100290887 PRGVIBXURHLHRW-AATRIKPKSA-N 346.335 2.576 30 50 EFEA biogenic C=CCOc1ccc(CN2CCC[C@@H](C(N)=O)C2)c(OCC=C)c1 55271163 NCIVDVGFKUUIMY-MRXNPFEDSA-N 330.428 2.514 30 50 EFEA CN(C(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 218060506 PJGLMYXULHFDKP-UHFFFAOYSA-N 334.225 2.752 30 50 EFEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cn(CC)nc1C(F)(F)F 281358661 KQTAVGIUWFEJHA-CMPLNLGQSA-N 331.338 2.633 30 50 EFEA CC[C@H](/N=C(/O)N1CCC2(CC1)C[C@H]2C(=O)OC)c1nccs1 328593645 SEIPIQCSANNOJB-RYUDHWBXSA-N 337.445 2.783 30 50 EFEA COCc1nccc([C@@H]2CCCN(c3c(C#N)cccc3C#N)C2)n1 365050479 COGJNSAIVSREQE-MRXNPFEDSA-N 333.395 2.750 30 50 EFEA N#Cc1c[nH]c(C(=O)N2CCC[C@H](OCc3ccccc3F)C2)c1 366262335 WBTUFCVBNNIWHI-HNNXBMFYSA-N 327.359 2.847 30 50 EFEA CC(C)CN1C(=O)CC[C@H]2CN(C(=O)c3ccccc3C#N)CC[C@H]21 72422649 QSVXSWBIFYNWIG-FUHWJXTLSA-N 339.439 2.667 30 50 EFEA COCc1nc([C@H]2CCCCN2Cc2ccc(C#N)c(F)c2)n[nH]1 338085709 BHXGDAUHHUKJFS-OAHLLOKOSA-N 329.379 2.689 30 50 EFEA CCc1cc(C#N)ccc1NC(=O)N(CCCO)Cc1cccnc1 95512758 NBPHEZACUVOPRC-UHFFFAOYSA-N 338.411 2.932 30 50 EFEA COCCN(CCOc1ccccc1F)C(=O)c1ccccc1C#N 952987004 HXHHVIQNMSQICZ-UHFFFAOYSA-N 342.370 2.865 30 50 EFEA C#CCOc1ccccc1NC(=O)N1CCO[C@@H](c2nccs2)C1 188095602 QQOZLQMVVAVNSW-OAHLLOKOSA-N 343.408 2.761 30 50 EFEA C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc(CCC#N)cc1 884876885 ONJQPXSVLYMPCJ-AWEZNQCLSA-N 329.425 2.710 30 50 EFEA COc1cc2c(cc1OC)[C@H](C1=C(O)CCCC1=O)N(C(C)=O)CC2 1427059 YEJCRIVQDUGRNS-LJQANCHMSA-N 345.395 2.715 30 50 EFEA C#CCCC1(CCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)N=N1 2325887419 PUEKWYFKVIQQNW-UHFFFAOYSA-N 335.289 2.667 30 50 EFEA COc1cc(OC)cc(C(=O)[C@@H]2O[C@@H]2c2ccc3c(c2)OCO3)c1 6453622 IJQCFXVZGJBTKN-MSOLQXFVSA-N 328.320 2.755 30 50 EFEA CO[C@@H]1C[C@@H](/N=C(/O)N2C[C@@H](C#N)[C@H](c3ccccc3)C2)C1(C)C 330197706 SELQUWBVIDZJIV-YYIAUSFCSA-N 327.428 2.953 30 50 EFEA COc1ccc(S(=O)(=O)N[C@@H](C#N)C(C)C)c(Cl)c1Cl 330923093 SEFAPADZLCDFEP-QMMMGPOBSA-N 337.228 2.828 30 50 EFEA COc1ccc(Br)cc1CN(C)c1cc(C#N)ncn1 258666153 BUXZMGFFFZRWDI-UHFFFAOYSA-N 333.189 2.756 30 50 EFEA Cc1cnn(C2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)c1 362979750 KAPVLFIWNXCTSK-OAHLLOKOSA-N 338.411 2.694 30 50 EFEA N#Cc1cncc(N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 333474351 BFPGPBDEXTZXJY-GFCCVEGCSA-N 326.322 2.534 30 50 EFEA CO[C@H]1CN(c2nc(C)c(C)c(C)c2C#N)C[C@H]1Cc1cc(C)no1 1704303128 FLMNXZAFMHNUNC-QAPCUYQASA-N 340.427 2.869 30 50 EFEA C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]1/C=C/c1ccccc1 253396930 AWSSPTWHYYQBCY-ADEBZEFOSA-N 333.457 2.500 30 50 EFEA C#CCOc1ccc(CNCc2cc(OC)ccc2OCOC)cc1 294702563 BJXPHFCZNGTHRK-UHFFFAOYSA-N 341.407 2.980 30 50 EFEA C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)[C@@H](O)CO 256512863 XNFSGLNHLVHCFT-QJZPXWABSA-N 348.483 2.603 30 50 EFEA CN(C)/C=N/c1c(Br)cc(Br)c2nonc12 84459815 ZTXGNJINSKGESD-UUILKARUSA-N 347.998 2.969 30 50 EFEA N#Cc1cnn(CCOC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1N 170621730 IRELGSNGJFTCEG-UHFFFAOYSA-N 344.374 2.765 30 50 EFEA COc1cc(/C=C2\S/C(=N/c3ccc(O)cc3)NC2=O)ccc1O 1202683 VRONASVIJLMDQP-DHDCSXOGSA-N 342.376 2.998 30 50 EFEA Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)n1 1857739393 QXHBLVFRXNUTGU-YLJYHZDGSA-N 344.418 2.850 30 50 EFEA CN(C)C(=O)C1(/C(O)=N/Cc2ccc3c(c2)nc(C2CC2)n3C)CC1 329045122 FOPBDSFHAHDFMI-UHFFFAOYSA-N 340.427 2.776 30 50 EFEA N#Cc1ccnc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 1413050785 SWYOCKNVIQOOSB-JKSUJKDBSA-N 335.329 2.577 30 50 EFEA CC1(C)CC(=O)C2=C(C1)NC(=O)[C@H](CC(=O)NC1CCCCC1)C2 1857526039 BWLURDRJYXNUOA-LBPRGKRZSA-N 332.444 2.605 30 50 EFEA CCC/N=C(/O)[C@@H]1CCCN(C(=O)Cc2ccc3c[nH]nc3c2)C1 330067548 UOKHXXQXEVBUBC-OAHLLOKOSA-N 328.416 2.711 30 50 EFEA CC[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(C#N)c1 128499942 QTFJUTLEIQRQMY-QGZVFWFLSA-N 344.436 2.520 30 50 EFEA CNc1cc(N2CCC[C@H]2CNc2cc(C#N)cc(Cl)n2)ncn1 1875275474 YYVMKOIJHFIGGN-LBPRGKRZSA-N 343.822 2.519 30 50 EFEA C#CC[C@]1(C(=O)NC2(CC=C)CC2)CCN(C(=O)OC(C)(C)C)C1 1875297471 RTHIZSLXPMUSGG-SFHVURJKSA-N 332.444 2.862 30 50 EFEA C[C@H](C(=O)Nc1sc2c(c1C#N)CCCC2)n1cc([N+](=O)[O-])cn1 1421989 FSLOIXUIJOYMBM-SECBINFHSA-N 345.384 2.803 30 50 EFEA O/C(CN(Cc1ccccn1)[C@@H]1CCCNCC1)=N/CC1CCC1 328603184 FJIQCBUOGRVPNK-GOSISDBHSA-N 330.476 2.782 30 50 EFEA COc1ccc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2)cc1OC 75999292 GSGHQQPCIZSEJP-YPMHNXCESA-N 336.395 2.569 30 50 EFEA COc1ccccc1N1CCN(/N=C/c2ccc(N(C)C)cc2)CC1 230044 WUTRXVOJLOUWFC-LTGZKZEYSA-N 338.455 2.917 30 50 EFEA N/C(=N/OC(=O)CSc1ccccc1)c1cccc([N+](=O)[O-])c1 18161879 HLXXEHKLKZVDGP-UHFFFAOYSA-N 331.353 2.551 30 50 EFEA CCCNC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC 712328116 SZIDPPXWILVGHC-UHFFFAOYSA-N 334.225 2.526 30 50 EFEA Cc1cc(C#N)ccc1C(=O)N1CCNC(=O)[C@H]1CC1CCCCC1 333667015 BZSJCAMJKMDDFM-GOSISDBHSA-N 339.439 2.778 30 50 EFEA COc1ccc2c(c1)C[C@H](C(=O)Nc1nn(C(C)C)cc1C#N)CO2 161055099 XAEPELJTSNBLJZ-ZDUSSCGKSA-N 340.383 2.534 30 50 EFEA N#Cc1cccc(CNC(=O)N2CCO[C@H](c3cccc(O)c3)C2)c1 162667429 VPKBJGYAXPJNRD-SFHVURJKSA-N 337.379 2.547 30 50 EFEA CC[C@H]1CCCC[C@H]1NC(=O)NS(=O)(=O)c1ccccc1C#N 1875328500 VRACUGGZYXMCQU-GXTWGEPZSA-N 335.429 2.515 30 50 EFEA C=CCOC(=O)c1ccc(C(=O)OCC=C)c(C(=O)OCC=C)c1 1841098 GRPURDFRFHUDSP-UHFFFAOYSA-N 330.336 2.715 30 50 EFEA biogenic N#Cc1cccnc1N1CCC(CO)(Cc2cccc(F)c2)CC1 67847707 NBPZQEDLKWEYBB-UHFFFAOYSA-N 325.387 2.914 30 50 EFEA COC[C@H](/N=C(/O)N1CCC(c2cnc[nH]2)CC1)c1ccc(C)o1 328587765 HMHRZFRKHVDACV-HNNXBMFYSA-N 332.404 2.792 30 50 EFEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 91849079 ISBYWLIJOWYLEF-LJQANCHMSA-N 347.411 2.516 30 50 EFEA C[C@H]1CCCCN1C1CN(CCCC(=O)Nc2ccc(C#N)cc2)C1 244874158 WVOBHLWTYCYUMC-INIZCTEOSA-N 340.471 2.836 30 50 EFEA O/C(=N/C[C@@H]1C[C@H](F)CN1Cc1nccs1)N[C@@H]1C=CCCC1 328656615 ZMDNTSMDFKNEOI-MJBXVCDLSA-N 338.452 2.668 30 50 EFEA Cc1ccc(N2C[C@@H](C)N(C(=O)c3cccc(C#N)c3)CC2=O)cc1 82108352 FKBNVDWZSUWCAC-OAHLLOKOSA-N 333.391 2.744 30 50 EFEA N#CCc1cccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1 180150260 XCFHXBBHKXHZNC-MAUKXSAKSA-N 342.345 2.979 30 50 EFEA Cc1cscc1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 269588366 FDZRKQXALUPTQG-UHFFFAOYSA-N 327.413 2.677 30 50 EFEA COc1cc(/C=N/n2c(-c3ccco3)n[nH]c2=S)cc(OC)c1O 1259720 CZBACVXZWLYUEQ-LZYBPNLTSA-N 346.368 2.806 30 50 EFEA C=CCN(Cc1ccccc1OCC)C(=O)C[C@@H](C)N1CCOCC1 55405128 FCIMVLHYEZEZAD-QGZVFWFLSA-N 346.471 2.711 30 50 EFEA Cc1nc(C(C)C)sc1C(=O)N1CCCn2nc(C#N)cc2C1 65404512 GOFUQYBPXSFSOU-UHFFFAOYSA-N 329.429 2.689 30 50 EFEA C#CCN(C)c1cnc(-c2noc(-c3cccc(N=C(C)O)c3)n2)cn1 328595438 VGELURGNHYWLMA-UHFFFAOYSA-N 348.366 2.871 30 50 EFEA O=S1(=O)CCC2(CC1)C[C@@H]2C(O)=Nc1scnc1C1CC1 328901506 ZCZKPZJCFVIYHC-SNVBAGLBSA-N 326.443 2.823 30 50 EFEA N#CC1(CS(=O)(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)CC1 337963539 ICISONDVGHHFRO-HNNXBMFYSA-N 342.823 2.844 30 50 EFEA C=CCn1c(SC[C@@H](O)c2ccccc2)nnc1C1CCNCC1 426646965 DMNOFDAHNUVEAT-MRXNPFEDSA-N 344.484 2.757 30 50 EFEA CC(C)=NO[C@]1(c2ccccc2)OC(=N)[C@]2(C#N)C(C#N)(C#N)[C@]12C 252443948 AZSRYZCKCCBBQT-SZMVWBNQSA-N 333.351 2.823 30 50 EFEA CCOC(=O)[C@@](C)(CNC(=O)c1sccc1C#N)c1ccccc1 170605715 RCQVEXABPQRONU-SFHVURJKSA-N 342.420 2.871 30 50 EFEA CC#CC(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 11838484 SGKGPGDSHVERBS-AWEZNQCLSA-N 348.393 2.623 30 50 EFEA Cc1noc([C@@H](/N=C(/O)c2ccc3nc[nH]c3c2)C2CCOCC2)n1 328628151 NKIDHPVBMOGKAB-HNNXBMFYSA-N 341.371 2.727 30 50 EFEA CC1(C)OB([C@H]2CCN(C(=O)N3CCC[C@@H](CC#N)C3)C2)OC1(C)C 1875366747 KZGPEQYTFMMLCM-GJZGRUSLSA-N 347.268 2.900 30 50 EFEA CC#CCNC(=O)Nc1sc(CC(C)(F)F)nc1C(=O)OCC 1775994138 VKRQAWUDABUKIO-UHFFFAOYSA-N 345.371 2.662 30 50 EFEA C[C@@]12CCCC[C@@H]1N(Cc1cc(O)n3ncc(C#N)c3n1)CCC2 2325772016 LYBIJADCRHHEHC-YJBOKZPZSA-N 325.416 2.851 30 50 EFEA C[C@@H](NC(=O)c1ccc(C#N)nc1O)c1ccc(C(F)(F)F)nc1 2325841102 CTMPZLJCKAGFSO-MRVPVSSYSA-N 336.273 2.564 30 50 EFEA C=CCN(Cc1ccccc1C)C(=O)CC[C@H](C)N1CCN(C)CC1 55053429 MTCAQMWBMZIERQ-IBGZPJMESA-N 343.515 2.926 30 50 EFEA CCOc1ccccc1[C@@H]1CC(=O)N(N(C)C)C2=C1C(=O)CCC2 1429702 JCLMKWMBKWXOFB-AWEZNQCLSA-N 328.412 2.885 30 50 EFEA CC[C@H]1OCCC[C@@H]1C(=O)N1CCCN(c2ccccc2C#N)CC1 277148983 WQXSYGDPPFLNFK-PKOBYXMFSA-N 341.455 2.802 30 50 EFEA N#Cc1cn(Cc2ccc(-n3ccnc3)nc2)c2ccccc2c1=O 193489750 WNXOTXWBGZPWPL-UHFFFAOYSA-N 327.347 2.502 30 50 EFEA Cc1ncc(/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)[nH]1 328617438 CTLSEIXLZGXDMS-VIFPVBQESA-N 327.310 2.501 30 50 EFEA C[C@@H](CC#N)NC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 368691171 AKPPZFBOPSBOKB-IINYFYTJSA-N 349.353 2.594 30 50 EFEA N#Cc1ccccc1N1CCC(NCc2cccn3ccnc23)CC1 2325777455 CLMQUNOAIHTAPE-UHFFFAOYSA-N 331.423 2.965 30 50 EFEA C#CCCC1(CCC(=O)NC[C@]2(C(=O)O)CC3CCC2CC3)N=N1 2325900644 CYMVPPYNASIFIF-MQBCKMQZSA-N 331.416 2.739 30 50 EFEA CC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OC2CCCC2)cc1 4842408 OMVJKWZEOMNQNR-KRWDZBQOSA-N 339.399 2.872 30 50 EFEA N#Cc1cccnc1N1CCN(Cc2c(Cl)cncc2Cl)CC1 65422995 KFWUAGOWUMZBPD-UHFFFAOYSA-N 348.237 2.977 30 50 EFEA Cc1c(C(=O)N(C)C)sc(NC(=O)c2cccnc2Cl)c1C#N 2763656 GKZQGSKDSAACMB-UHFFFAOYSA-N 348.815 2.931 30 50 EFEA C[C@H](/C(O)=N/C1CCN(c2nccn(C)c2=O)CC1)c1cccs1 328631167 KDMGGQOISJPJQG-LBPRGKRZSA-N 346.456 2.571 30 50 EFEA CO[C@H](C)CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 367340055 SOUSAPRBJOUTJI-CYBMUJFWSA-N 349.862 2.969 30 50 EFEA N#Cc1cccc([C@H]2CN(c3ccc([N+](=O)[O-])c(C#N)c3)CCO2)c1 328588071 PQAAPEHZKYEIRE-GOSISDBHSA-N 334.335 2.916 30 50 EFEA Cc1ncsc1N=C(O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1 329443174 BUFXUTFURNVONX-UONOGXRCSA-N 331.397 2.638 30 50 EFEA CCn1ccnc1CN(Cc1ccc(C#N)cc1)[C@@H]1CC12CCNCC2 435691133 DYQGBNUKBHEQQK-LJQANCHMSA-N 349.482 2.919 30 50 EFEA CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1c1cccnn1 159899204 VZOBUDYATHHKSF-KRWDZBQOSA-N 325.391 2.588 30 50 EFEA Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2cc(F)ccc2C#N)cn1 374306442 DKDFTYZUCZKJAK-MSOLQXFVSA-N 328.391 2.519 30 50 EFEA CCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc1[N+](=O)[O-] 177606360 SSAPHWFELHFRFT-CYBMUJFWSA-N 338.323 2.513 30 50 EFEA c1ccc([Si](c2ccccc2)(c2ccccc2)[C@@H]2C[C@@]23CO3)cc1 169833382 KKZITRSIIVACAG-FGZHOGPDSA-N 328.487 2.700 30 50 EFEA CC(C)(C)c1ccc(OCC(=O)O/N=C(\N)c2ccccn2)cc1 4551253 VARNRLRHPVKQLF-UHFFFAOYSA-N 327.384 2.622 30 50 EFEA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cccc(C#N)c3)CC2)O1 1857698508 VKOYODQYJLWECI-QZTJIDSGSA-N 342.439 2.729 30 50 EFEA COc1cc(CNC(=O)NCC(C)(C)OCC2CC2)ccc1C#N 413585149 OINQEUYKCGDLKU-UHFFFAOYSA-N 331.416 2.571 30 50 EFEA OC[C@H]1CC[C@H](N/C(O)=N/CCc2cc(F)c(F)c(F)c2)CC1 330788270 YMARTQHYFJEXLU-UMSPYCQHSA-N 330.350 2.701 30 50 EFEA Oc1nc(NCC#C[C@H]2CCCCO2)nc2c1cnn2-c1ccccc1 897457120 SHVPZMKMVNUQMI-OAHLLOKOSA-N 349.394 2.506 30 50 EFEA C#CCCC1(CCC(=O)NCCOCc2cccc(OC)c2)N=N1 2325892149 BIUSFAJKGUQSES-UHFFFAOYSA-N 329.400 2.684 30 50 EFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 2485714 KHXXSRQFMCCVNF-CQSZACIVSA-N 331.343 2.680 30 50 EFEA C=C[C@@]1(C)CC(=O)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](O)[C@@]2(C)O1 25724256 PNQDGVYRLQBNOL-GPRZKFDUSA-N 336.472 2.863 30 50 EFEA N#Cc1c(F)cccc1C(=O)N1CCC[C@](CO)(c2ccccc2)C1 374975227 FBXLHVZIURNOQU-FQEVSTJZSA-N 338.382 2.864 30 50 EFEA O=C1[C@H]2[C@H]3C4(CC4)[C@H]([C@H]2C(=O)N1c1ccccc1)[C@@]12O[C@]31[C@H]1C=C[C@H]2C1 257355530 BCAKWYYCESHKQZ-REPWSXSTSA-N 345.398 2.546 30 50 EFEA CCc1csc(CNC(=O)c2cccc(C#CC(C)(C)O)c2)n1 823542958 NCZXKMLMECJCIO-UHFFFAOYSA-N 328.437 2.758 30 50 EFEA O=C(O)c1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)cc1 4577529 CAPPGCUBNONDCY-GIJQJNRQSA-N 332.323 2.650 30 50 EFEA CS(=O)(=O)c1sccc1-c1noc(C2(C#N)CCCCC2)n1 1775994248 ZORNUFHRWJHOJX-UHFFFAOYSA-N 337.426 2.927 30 50 EFEA COC(=O)C1=C(c2ccccc2)C(c2ccccc2)=C(C(=O)OC)C1=O 68955 NTXFYWYVVGMAGT-UHFFFAOYSA-N 348.354 2.823 30 50 EFEA C=C(C)C(=O)NCCNC(=O)c1cc(Cl)c2ccccc2c1O 2171645 BAPYSZQSNLENHT-UHFFFAOYSA-N 332.787 2.621 30 50 EFEA N#Cc1c(NC(=O)Cn2c(=O)oc3ccccc32)sc2c1CCC2 2867159 VUACJLFMFOKCDQ-UHFFFAOYSA-N 339.376 2.655 30 50 EFEA N#Cc1ccc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)cc1 72156990 CYGOYMDCSLLHOJ-NRFANRHFSA-N 345.446 2.874 30 50 EFEA Cc1ccc(S(=O)(=O)O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 34100975 MWACHFODPQVXHF-CYBMUJFWSA-N 341.429 2.710 30 50 EFEA in-vitro CCO[C@@H]1C[C@H](NCCOc2cccc(C#N)c2)C12CCOCC2 286291543 VCSLWVKWUPABDR-ZWKOTPCHSA-N 330.428 2.501 30 50 EFEA CCc1nc(S[C@@H](C)C(=O)Nc2ccccc2C)[nH]c(=O)c1C#N 5238996 KHVGSVSOKDKADL-NSHDSACASA-N 342.424 2.632 30 50 EFEA N#C[C@H]1CN(Cc2ccc(OCc3ccncc3)cc2)CCN1C1CC1 363499875 PLYQTBMVILBQMP-FQEVSTJZSA-N 348.450 2.833 30 50 EFEA C#CCN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 2871575 JFGXAMLMALAIMO-KRWDZBQOSA-N 345.807 2.842 30 50 EFEA C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 4854392 WYQKUZPPFQJAKD-UHFFFAOYSA-N 334.372 2.542 30 50 EFEA CCc1nn(C)cc1C/N=C(/O)N1CCC[C@H]1c1noc(C(C)C)n1 329159546 XPRMXDKYNWUCGZ-AWEZNQCLSA-N 346.435 2.740 30 50 EFEA N#Cc1c(CN2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cn2ccccc12 333577005 SVNZFXCXHLXYHR-DSIZOQBWSA-N 331.375 2.508 30 50 EFEA N#Cc1ncn(CC(=O)Nc2ccccc2-c2ccccc2)c1C#N 180415736 KSEAGUMWAANHLC-UHFFFAOYSA-N 327.347 2.932 30 50 EFEA C=CC(=O)N1CCCc2cc(C(=O)N[C@@H](C#N)CC(C)C)ccc21 1875302992 QIAFNKVLTKQALS-MRXNPFEDSA-N 325.412 2.820 30 50 EFEA O/C(CCc1ccccc1)=N/C[C@@H]1C[C@H](F)CN1Cc1cncnc1 328646517 SPUAMVALZOKGNL-ROUUACIJSA-N 342.418 2.978 30 50 EFEA CCO[C@@H]1C[C@@H](N(C)CC(=O)Nc2sccc2C#N)C12CCC2 153967798 LVFDASMFJPCCAR-ZIAGYGMSSA-N 333.457 2.838 30 50 EFEA Cc1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c(O)n1 376394668 HRVKZCHYQAFGHX-CYBMUJFWSA-N 340.358 2.571 30 50 EFEA CC1(C)OB(c2c(F)ccc([N+](=O)[O-])c2Br)OC1(C)C 390823474 BIYJDUWLJIBHGB-UHFFFAOYSA-N 345.961 2.796 30 50 EFEA Cc1c([C@@H](C)/N=C(/O)N2CCN3CCOC[C@@H]3C2)oc2ccccc12 328594644 ANRNCZBOFOCNOA-CABCVRRESA-N 343.427 2.733 30 50 EFEA N#Cc1cn2c(nc1NS(=O)(=O)c1ccccc1)nc1ccccc12 388895 GKFZOBAYGTWZHW-UHFFFAOYSA-N 349.375 2.555 30 50 EFEA Cn1cc(-c2cc(CN3CCO[C@@H](c4cccc(C#N)c4)C3)on2)cn1 253421589 YMALSBKEEABAIE-LJQANCHMSA-N 349.394 2.520 30 50 EFEA N#Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3cccc(F)c3)C2)cc1 183240258 JPKZBEQQOUSBEB-INIZCTEOSA-N 346.383 2.539 30 50 EFEA CO[C@H](C)CS(=O)(=O)NCc1ccc(-c2ccccc2C#N)cc1 195444036 CUTNTNYCICUBIK-CQSZACIVSA-N 344.436 2.680 30 50 EFEA C=C(C)[C@@H]1CC=C(CN2CCC(Cn3cc(CO)nn3)CC2)CC1 19113885 NZHVZVWKIMDXOJ-GOSISDBHSA-N 330.476 2.785 30 50 EFEA N#Cc1c(NC(=O)C[C@H]2CCOc3ccccc32)nc2n1CCS2 118224555 OQGITNIDCSOGRE-LLVKDONJSA-N 340.408 2.755 30 50 EFEA C=CC(=O)N1CCC[C@H](C(=O)N(Cc2ccc(C#N)cc2)C(C)C)C1 1875302693 CHZSMXDXNLHMFM-SFHVURJKSA-N 339.439 2.720 30 50 EFEA N#Cc1cc(N2CCN(c3ncc[nH]3)CC2)nc2ccc(Cl)cc12 225647942 OALLSWBFQRATLV-UHFFFAOYSA-N 338.802 2.810 30 50 EFEA C=C(C)COc1ccccc1C(=O)N(CCOC)Cc1cnn(C)c1 55120457 IGBCVOGEFDUSJV-UHFFFAOYSA-N 343.427 2.664 30 50 EFEA Cc1noc(C)c1CO[C@@H]1CCN(c2nc3c(cc2C#N)CCC3)C1 375157712 GNCQRVGGKLBPLE-MRXNPFEDSA-N 338.411 2.842 30 50 EFEA Cc1ccc(S(=O)(=O)N(C)/N=C/c2ccc([N+](=O)[O-])cc2)cc1 274445 JVBYSCMIQIVWTH-LFIBNONCSA-N 333.369 2.558 30 50 EFEA COc1ccc(OC)c(/C=N/N2CCN(c3ccccc3)CC2)c1 13686672 AVOXTVVPFIIDCW-HMMYKYKNSA-N 325.412 2.860 30 50 EFEA C=CCNC(=O)[C@H]1CC(=O)c2sc(NC(=O)C[C@@H](C)CC)nc2C1 14987824 ZPWQSAMLONNIBB-WDEREUQCSA-N 349.456 2.565 30 50 EFEA C/C(=N\NOCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 5480182 FDEYWIZXKBYMMT-LFIBNONCSA-N 330.300 2.948 30 50 EFEA C#CCCC1(CCC(=O)N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)N=N1 952882112 RQDLIJODVNONFD-YESZJQIVSA-N 328.460 2.675 30 50 EFEA N#Cc1ccc(CN2C[C@@H](O)Cc3cc(Br)ccc32)o1 2325821139 IJRWVIGJHCQORZ-LBPRGKRZSA-N 333.185 2.837 30 50 EFEA C=CCn1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 10149015 GGCUZXMAUROEAQ-MRVPVSSYSA-N 342.186 2.572 30 50 EFEA Cc1cc(C)n([C@H](C)CNC(=O)c2cccc(C#CC(C)(C)O)c2)n1 65370528 YCSSYWSMTFOIJR-MRXNPFEDSA-N 339.439 2.613 30 50 EFEA CO[C@@H](C/N=C(/O)N1CCC2(CC1)CN=C(O)C2)c1ccc(F)cc1 328588106 TZKMFBDKCYWQAY-HNNXBMFYSA-N 349.406 2.870 30 50 EFEA Cc1nc(N2CCOCC2)ccc1N=C(O)[C@@H]1C[C@H](C)CC(O)=N1 328952098 XNIWDGWMEJZNAG-FZMZJTMJSA-N 332.404 2.570 30 50 EFEA CCOc1ncccc1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 378295314 OVPUHLIUPZCDFA-QGZVFWFLSA-N 337.379 2.566 30 50 EFEA O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(Br)o1 229926423 PUQOAMYQHUAWOD-GWSPRAJTSA-N 349.184 2.573 30 50 EFEA C=CCN(Cc1cccc(OC)c1)C(=O)CCN1CCCCC1=O 952960921 KCXCODZVVOYIAA-UHFFFAOYSA-N 330.428 2.612 30 50 EFEA N#Cc1cc(N2CCN(C[C@@H]3CCOC3)CC2)ccc1C(F)(F)F 170596643 GUTUNWRJNVZQAM-ZDUSSCGKSA-N 339.361 2.736 30 50 EFEA Cc1cc(OCC(=O)O/N=C(\N)c2ccncc2)cc(C)c1Cl 4349803 HBPCHNYXKJPPLP-UHFFFAOYSA-N 333.775 2.594 30 50 EFEA CCC(C)(C)N[C@H](C)C(=O)Nc1ccc(-n2cc(C#N)cn2)cc1 1875299186 CBMUJFWOMZYFIW-CYBMUJFWSA-N 325.416 2.849 30 50 EFEA COc1cc(/C=C/C(=O)c2nn(C)cc2Cl)cc(OC)c1OC 6827976 VGVRVLSMHMAXOP-AATRIKPKSA-N 336.775 2.995 30 50 EFEA C/N=C(/N[C@@H]1C[C@H]1C1CCCCC1)N1CC[C@H](c2cnn(C)c2)C1 151660531 SEXGTSAUZJHWAK-RYQLBKOJSA-N 329.492 2.754 30 50 EFEA CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@](C)(O)[C@@H](O)CO 230508976 SVSBMWDRQDUELL-LPXKSRHMSA-N 338.488 2.849 30 50 EFEA O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCc2[nH]ncc2C1 270187079 ZZCFOCVJGOGKQI-CYBMUJFWSA-N 347.340 2.701 30 50 EFEA N#CC1(C#N)[C@H](c2cccnc2)O[C@@]23CCCCC[C@H]2[C@@]1(C#N)C(=N)O3 206003631 PWRHDKABVDIAPR-STEAMIEHSA-N 347.378 2.981 30 50 EFEA C=CCn1c(CN(C)Cc2ccoc2)nnc1SC[C@@H]1CCCO1 11882307 SIXLHKLUUSDXMO-HNNXBMFYSA-N 348.472 2.960 30 50 EFEA CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(F)(F)F 169810380 RXSSSYBTLULNTH-UHFFFAOYSA-N 345.126 2.576 30 50 EFEA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2ccc(C#N)cc2C)C3)n1 888098125 FFNMGXCYUZEJOL-KXBFYZLASA-N 336.395 2.752 30 50 EFEA CCCN(CC#Cc1ccccc1)C(=O)c1ccc2c(c1)nnn2C 55196429 BGQOKBNEZGFYGP-UHFFFAOYSA-N 332.407 2.872 30 50 EFEA C=C(C)COc1ccccc1CNCCNC(=O)c1ccncc1 55371584 WUDXUKZUCKXKJT-UHFFFAOYSA-N 325.412 2.556 30 50 EFEA N#Cc1ccccc1CN1CCC[C@H](CCNC(=O)c2cnco2)C1 67642570 UWOWVACHPMMALU-OAHLLOKOSA-N 338.411 2.578 30 50 EFEA C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@@]2(CCCOC2)O1 253432437 ZLOINURWIFLDAG-IAQYHMDHSA-N 341.333 2.746 30 50 EFEA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1ccc(C#N)cn1 328629389 OVAJPPWOSXCDQX-CYBMUJFWSA-N 326.425 2.910 30 50 EFEA N#Cc1cccc(/C=C/C(=O)N2CCCC[C@H]2CN2CCCC2=O)c1 362808943 ZQAIVNAPYIKHKB-BBVFFXRHSA-N 337.423 2.575 30 50 EFEA CC1(C)CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@H]1O 225738259 IKNVUIWMHYKCDN-QGZVFWFLSA-N 340.379 2.573 30 50 EFEA C#CCCC1(CCC(=O)N2Cc3ccccc3[C@H](C(=O)OC)C2)N=N1 2325885752 CUPHYUWAMRBPOT-MRXNPFEDSA-N 339.395 2.641 30 50 EFEA C#CCCC1(CCC(=O)NCCCn2cnc3c2CCCC3)N=N1 2325886394 VLZMJTNHAKBIEP-UHFFFAOYSA-N 327.432 2.624 30 50 EFEA COc1ccc2ccccc2c1/C=N\n1c(C)cc(C)c(C(N)=O)c1=O 4964684 LAJIGPIOIBEMOE-JJFYIABZSA-N 349.390 2.608 30 50 EFEA O=C(CCCn1cncn1)N(CC#Cc1ccccc1)C1CCCC1 55074438 WASMMXFQTRUGCQ-UHFFFAOYSA-N 336.439 2.881 30 50 EFEA N#Cc1ccccc1C(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 67695714 YIPRSNXZRFBFKU-HNNXBMFYSA-N 337.398 2.949 30 50 EFEA CCN1CCN(C[C@@H](C)CNc2nc3c(cc2C#N)CCCC3)CC1 189443651 RHAOWUBOHBHWIG-INIZCTEOSA-N 341.503 2.518 30 50 EFEA C=C(C)CN(C)S(=O)(=O)c1cc(C(=O)O)cc(C(F)(F)F)c1 650436933 AEIPSUQZENBFST-UHFFFAOYSA-N 337.319 2.600 30 50 EFEA N#C[C@@H]1CSCCN1S(=O)(=O)c1ccc2ccccc2c1F 451376261 NSMSOLLGILMZGZ-GFCCVEGCSA-N 336.413 2.609 30 50 EFEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2ncc(C#N)cc2Cl)C1 888102715 IAUKHYPTDHFIDL-OCCSQVGLSA-N 331.807 2.913 30 50 EFEA N#CCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 958742354 YACATSXZFYUINE-UHFFFAOYSA-N 336.347 2.846 30 50 EFEA CCc1occc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 280774041 JMCRQQOPMZOXMI-UHFFFAOYSA-N 327.359 2.815 30 50 EFEA Cc1cccc(S(=O)(=O)N[C@]2(C#N)CC2(C)C)c1Br 290971506 QAJCFYDWJXLQQG-ZDUSSCGKSA-N 343.246 2.728 30 50 EFEA CC(C)(C)OC(=O)N[C@@]1(C#N)CCN(C(=O)OCc2ccccc2)C1 698346712 LSTVAQIBEQYMQX-GOSISDBHSA-N 345.399 2.816 30 50 EFEA Cn1nccc1[C@@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 373858144 FFRPVOHDDRQRSN-MRXNPFEDSA-N 334.423 2.995 30 50 EFEA C#C[C@H](NC(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1)C(C)C 253428205 IHNRWHKBGZBBDV-OCCSQVGLSA-N 342.399 2.763 30 50 EFEA CC(C)(C)S(=O)(=O)/C(C#N)=N/Nc1ccc(Br)cc1 3047535 TWLPFTNJDKNMGC-LFIBNONCSA-N 344.234 2.911 30 50 EFEA COCC[C@H](/N=C(/O)N1CCCC12CCN(C)CC2)c1ccco1 328587121 LJRDTFBBTCFDPU-HNNXBMFYSA-N 335.448 2.831 30 50 EFEA C[C@@H]1CC(=O)NCCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 371041101 NHPGNHJVCCSABI-CQSZACIVSA-N 349.390 2.701 30 50 EFEA C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(O)C(=O)CO 253507425 WHBHBVVOGNECLV-OHXCOFTBSA-N 346.467 2.811 30 50 EFEA biogenic CC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(O)c(O)c1 13496825 WVYIAAZJUCFFLU-QGZVFWFLSA-N 340.404 2.617 30 50 EFEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](N(CC)CC)C2 14747109 TWFQFRRTPNWPLP-MRXNPFEDSA-N 344.503 2.894 30 50 EFEA C#C[C@H](C)NC(=O)Nc1sc(CC(F)(F)F)nc1C(=O)OCC 1775993714 IBVRGDQNIZAVLI-ZETCQYMHSA-N 349.334 2.568 30 50 EFEA Cc1ccc2[nH]c(C(=O)N3CCCn4nc(C#N)cc4C3)c(C)c2c1 67649873 IOXALHBGUIIGLP-UHFFFAOYSA-N 333.395 2.899 30 50 EFEA C[C@@H](Oc1cccc(C(=O)/C=C/c2c(Cl)cnn2C)c1)C(=O)O 122670976 PEWSNEZKSQVZEC-VQCYPWCPSA-N 334.759 2.822 30 50 EFEA CC[C@@H](CO)/N=C(/O)COC1CCC(/N=C(/O)OC(C)(C)C)CC1 328600051 VJMQBICGOAXMGQ-HSBZDZAISA-N 344.452 2.771 30 50 EFEA Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccc(C#N)nc1 369363013 IXRIHFOGNIXKCQ-UHFFFAOYSA-N 332.363 2.889 30 50 EFEA Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@@H]2CCNC2=O)cc1 340455254 LGCJBWLFEWBSMM-QGZVFWFLSA-N 349.390 2.620 30 50 EFEA C=CCC(O)(CC=C)CNC(=O)c1cc(O)nc2cc(F)ccc12 820449652 ZELFJXXEZPBBLW-UHFFFAOYSA-N 330.359 2.693 30 50 EFEA CC(C)(C#N)CC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 408273845 GUPBZGPYECDPGZ-UHFFFAOYSA-N 334.464 2.549 30 50 EFEA COc1ccccc1C/C(N)=N/OC(=O)COc1cccc(C)c1C 13521612 YLDYBISSIVATFO-UHFFFAOYSA-N 342.395 2.749 30 50 EFEA C=C(C)COc1ccc(C(=O)N(C[C@H]2CCC(=O)N2)C(C)C)cc1 55099277 DHBZDADIFQIKOF-MRXNPFEDSA-N 330.428 2.771 30 50 EFEA CCOc1ccc(O)c(/C=N/[C@@H]2CCCN(c3cnn(C)c3)C2)c1 125200977 WIAFWPSEDXUXDE-GDXCHIGESA-N 328.416 2.612 30 50 EFEA Cc1ccccc1O[C@H](C)C(=O)N1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 331960486 QKGUIHCNAWMAMO-KZNAEPCWSA-N 341.455 2.599 30 50 EFEA COC(=O)c1cc(C/N=C(/O)Cc2cc(OC)ccn2)ccc1OC 328594603 XPRQZKAXEWKWDE-UHFFFAOYSA-N 344.367 2.585 30 50 EFEA N#Cc1ccccc1N1CCC(CNC(=O)[C@@H](O)c2ccccc2)CC1 371059214 LSAVDLBBVQBAJX-FQEVSTJZSA-N 349.434 2.624 30 50 EFEA N#CC1(C(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)CCOCC1 334118373 JEIXFSSPAOVVTN-UHFFFAOYSA-N 338.329 2.952 30 50 EFEA N#Cc1cc2c(nc1N[C@@H]1CCCN(c3ncccn3)C1)CCCC2 72423452 HHSFXHOFOXNYRK-MRXNPFEDSA-N 334.427 2.703 30 50 EFEA COc1cccc([C@H](C/N=C(\N)Nc2ccccn2)N2CCCC2)c1 170906666 YYODKDQOEZLNBW-KRWDZBQOSA-N 339.443 2.654 30 50 EFEA C=CCc1ccc(OCCCCON2C(=O)CCC2=O)c(OC)c1 5049059 AHVFYDVTOGVYFS-UHFFFAOYSA-N 333.384 2.663 30 50 EFEA Cn1ccnc1[C@@H]1OCCC[C@H]1CNc1c(C#N)nnc2ccccc12 858007967 GSHXFMBHFPCXJS-SCLBCKFNSA-N 348.410 2.815 30 50 EFEA CCC1(C(=O)N2CCN(c3cc(C#N)nc(C)n3)[C@H](C)C2)CCCC1 2325899398 BIYKNMKZZHLNRC-CQSZACIVSA-N 341.459 2.664 30 50 EFEA O=C(Nc1ccccc1)[C@H]1CC(O)=N/C(=N\c2ccc(F)cc2)N1 4814153 ZTDPQNLOSDYVIG-CQSZACIVSA-N 326.331 2.770 30 50 EFEA C=C(C)COc1c(CN(C)C[C@@H](C)N2CCOCC2)cccc1OC 55090712 UUIYUQGZEVXADX-QGZVFWFLSA-N 348.487 2.803 30 50 EFEA CN(C/C(O)=N/CC(F)(F)F)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328627090 FVBJQPMAHAHLTO-ZFWWWQNUSA-N 344.381 2.525 30 50 EFEA CCc1nccn1[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C1 286656599 DXGJVEXGSOINRY-CYBMUJFWSA-N 340.387 2.649 30 50 EFEA N#CC1CCN(C(=O)NC[C@H]2CCN(Cc3ccccc3F)C2)CC1 584887541 MSSMVEGZQIUJQL-MRXNPFEDSA-N 344.434 2.593 30 50 EFEA C=C1CCN(C(=O)c2cccc(C(=O)N3CCC(=C)CC3)c2N)CC1 408522027 BYRRELLSKKPLNB-UHFFFAOYSA-N 339.439 2.853 30 50 EFEA C=C(C)CS(=O)(=O)N[C@H](C)Cc1cc(C)nn1-c1ccccc1 189751570 QWENEWOHIPLREU-OAHLLOKOSA-N 333.457 2.607 30 50 EFEA N#Cc1cc2n(n1)CCN(C(=O)c1c(Cl)ccc3ncccc13)C2 1775981465 UROCJAFXCPNOOI-UHFFFAOYSA-N 337.770 2.612 30 50 EFEA CC1(C)OB(c2ccc(Cl)c(NC(=O)NC3CC3)c2)OC1(C)C 405150372 QPILTDKZBNRUHC-UHFFFAOYSA-N 336.628 2.923 30 50 EFEA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1cccc(C#CC(C)(C)O)c1 65422566 JORVIINBCCFUBW-IBGZPJMESA-N 349.430 2.885 30 50 EFEA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)C=CC2=O)cc1 28957540 WOHLJOQUCKRYMC-XCVCLJGOSA-N 348.314 2.920 30 50 EFEA Cn1cc(-c2cc(CN3CCO[C@H](c4cccc(C#N)c4)C3)on2)cn1 253421586 YMALSBKEEABAIE-IBGZPJMESA-N 349.394 2.520 30 50 EFEA O=C(Cc1ccccc1)N1CCC[C@H](/N=C(/O)c2cncs2)C1 328589587 OANYPELXERIAAI-AWEZNQCLSA-N 329.425 2.681 30 50 EFEA O/C(=N/Cc1nc[nH]n1)[C@@]12CCC[C@@H]1CN(Cc1ccccc1)C2 328603761 HDNMPTGNVRDKQC-CRAIPNDOSA-N 325.416 2.564 30 50 EFEA C#CCOc1ccc(CN[C@H]2C[C@@H](OCC)C23CCOCC3)cc1 185651808 BAOISWPSYMJMLQ-RBUKOAKNSA-N 329.440 2.762 30 50 EFEA C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OCC(=O)O)c(OCC)c1 659228045 HWHPPDJPOKKKKQ-GASCZTMLSA-N 345.395 2.872 30 50 EFEA C=CCN1C(=O)[C@](O)(CC(=O)c2ccco2)c2cc(Cl)ccc21 5245296 DCSPFKRJPMATFO-KRWDZBQOSA-N 331.755 2.926 30 50 EFEA C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)cc2)cc1 16597955 VKEJTRZEAAPLHR-UHFFFAOYSA-N 330.409 2.712 30 50 EFEA O=C1N=C(N/N=C/c2ccc(O)cc2)S[C@@H]1Cc1ccccc1 18209208 GXYQWBLGRMTMRF-CLXYIWAZSA-N 325.393 2.556 30 50 EFEA C=CCn1c(=N)n(C[C@@H](O)COc2ccc(C)cc2)c2ccccc21 20059826 QGLSSUCRDNQJLE-MRXNPFEDSA-N 337.423 2.857 30 50 EFEA COc1cc(F)ccc1-c1ccc(=O)n(Cc2ccc(C#N)cc2)n1 40268642 LJPGQFHCXMMGLW-UHFFFAOYSA-N 335.338 2.978 30 50 EFEA CCN1CC2(CCC1=O)CCN(c1nc(C)c(C)cc1C#N)CC2 91707190 HBSLEYZIOFITLS-UHFFFAOYSA-N 326.444 2.799 30 50 EFEA C=CC/C(C(=O)OCC)=C(/C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 19642880 UELKOYROEQTTNW-STTHAQSSSA-N 334.372 2.631 30 50 EFEA C#CCOc1ccc(C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 8570534 OALBMRVPDTULCY-UHFFFAOYSA-N 347.374 2.987 30 50 EFEA COc1cc(/C(C)=N/N2CCN(c3ccccc3)CC2)ccc1O 68730766 PFRRTDWFVBIIEP-HMMYKYKNSA-N 325.412 2.947 30 50 EFEA Cc1cc(C)cc(CCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 65409298 FPJNWESYHXXEAT-UHFFFAOYSA-N 348.450 2.852 30 50 EFEA CC/N=C(/NCc1ncc(C)s1)N[C@@H]1CCN(C2CCCC2)C1 86741183 QSYXFNUWDZOVNU-CQSZACIVSA-N 335.521 2.524 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)Cc2ccc(Cl)cc2)cc1OC 4191658 XOFDZDUVSVOGKN-UHFFFAOYSA-N 348.786 2.763 30 50 EFEA COc1nsc(OC)c1CN1CCO[C@@H](c2cccc(C#N)c2)C1 952995342 JBYHHCCASNBYMR-OAHLLOKOSA-N 345.424 2.605 30 50 EFEA COCc1cc(C)nc(NNC(=S)Nc2ccccc2)c1C#N 2916063 OGMHQJODDZOXEH-UHFFFAOYSA-N 327.413 2.722 30 50 EFEA C=C(C)COc1ccc(C(=O)N[C@@H](CC(=O)O)C(F)(F)F)cc1 63884831 YKUQEXFSTDNKGT-LBPRGKRZSA-N 331.290 2.777 30 50 EFEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCCN(C2CCCC2)CC1 253426025 FKLZDXWZWDHBTG-SJLPKXTDSA-N 335.492 2.628 30 50 EFEA Cc1cc(CNc2ccc(Cl)c(C#N)n2)nc(N2CCCC2)n1 488713837 DEWDGBANIMAKBM-UHFFFAOYSA-N 328.807 2.917 30 50 EFEA C[C@@H]1Cc2cc(/C=N\Nc3ncc(F)c(N4CCCC4)n3)ccc2O1 226095030 VDTIDGDJDILONR-RRSAXVHRSA-N 341.390 2.985 30 50 EFEA N#C[C@@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)c1ccccc1Cl 183283907 YVZXLRSGSBDIAQ-MRXNPFEDSA-N 339.782 2.758 30 50 EFEA C=CCn1ncc(CN2CCCN(C(=O)c3ccccc3)CC2)c1C 1775981316 JUJDFAIWTJWXQR-UHFFFAOYSA-N 338.455 2.726 30 50 EFEA COc1cccc([C@H]2C[C@H](O)CN2CCOc2cccc(C#N)c2)c1 225731375 KMQGWOQJPFPRPW-FXAWDEMLSA-N 338.407 2.754 30 50 EFEA CC(C)=N/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)S1 6556644 ZXSPUQJZHMXKPM-ZDUSSCGKSA-N 332.429 2.615 30 50 EFEA COC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(C#N)c2)c2ccccc21 252477835 WDKPQKHANSLJQJ-OKZBNKHCSA-N 346.386 2.965 30 50 EFEA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2ccc(C#N)o2)cs1 328602369 BLCHBQJFUQXHID-ZFWWWQNUSA-N 348.447 2.961 30 50 EFEA N#Cc1ccc(Br)c(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 191676168 UPLGOSUVAVWISR-BETUJISGSA-N 345.196 2.772 30 50 EFEA C=CCCC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 11711884 FWNNMRRARPSWQH-QGZVFWFLSA-N 338.411 2.768 30 50 EFEA CN1CCN(CC#CC[C@](O)(c2ccccc2)C2CCCC2)CC1 19367853 MJEVIEFAJIJTHP-NRFANRHFSA-N 326.484 2.705 30 50 EFEA Cn1cc([C@H]2CCCN2C(O)=Nc2c[nH]nc2-c2nccs2)cn1 328597662 IOLAIQZEBVXTKO-GFCCVEGCSA-N 343.416 2.649 30 50 EFEA C[C@H]1CN(c2ccc(NC(=O)N3CC[C@@H](C#N)C3)cc2F)C[C@@H](C)O1 1875267490 IIHMPVAPLRRYIN-MJBXVCDLSA-N 346.406 2.817 30 50 EFEA CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)OCc1ncc(C#N)cn1 842058102 FLGSBASRJUAAKS-KBMXLJTQSA-N 331.416 2.869 30 50 EFEA C=CCC(=O)N1CCC[C@H](N2CCN(c3ccccc3C)CC2)C1 55325555 GISJLGMPAYKLHT-SFHVURJKSA-N 327.472 2.684 30 50 EFEA C=CCc1cc(CN(C)C[C@@H](C)N2CCOCC2)ccc1OCC 55326254 FDHRMSHUIADVNN-QGZVFWFLSA-N 332.488 2.966 30 50 EFEA CCn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)c1ccc2n[nH]cc2c1 328617195 CLBYELJGCIKQBR-GJZGRUSLSA-N 325.372 2.614 30 50 EFEA C=CCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12753821 WFZQTZCIOGEDKC-IBGZPJMESA-N 348.393 2.882 30 50 EFEA COc1cc(C#N)ccc1CN(C)[C@@H]1CCC[C@@H]1N1CC[C@H](OC)C1 886082589 SOAOYFUBAFYNFH-OTWHNJEPSA-N 343.471 2.640 30 50 EFEA C#CCCC1(CCC(=O)NC[C@H]2CCc3cc(F)ccc3O2)N=N1 2325886301 GUVFXSWZKSQBGC-OAHLLOKOSA-N 329.375 2.991 30 50 EFEA Cc1ccsc1/C=N/OC(=O)c1nn(C)cc1Br 22107554 ZPNQPXRLYMYVRJ-WLRTZDKTSA-N 328.191 2.743 30 50 EFEA CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2ccc(C#N)c(F)c2)C1 344727715 KOZJHVOKDUBTNW-ZBFHGGJFSA-N 341.390 2.655 30 50 EFEA C=C(C)COc1ccccc1C(=O)N(C)CC1(CO)CCOCC1 55284192 GGRSUHXAHLVKLY-UHFFFAOYSA-N 333.428 2.503 30 50 EFEA COc1cc(OC)c([C@@H]2Nc3ccccc3C(=O)N2O)cc1OC 1015938 YAQYLMZJDJDDNN-MRXNPFEDSA-N 330.340 2.668 30 50 EFEA CN(C)c1ccc(N[C@H]2CCCN(c3ncccc3C#N)CC2)cn1 328632242 LFNULVFTSZXSCV-INIZCTEOSA-N 336.443 2.885 30 50 EFEA C=C1CCN(S(=O)(=O)c2c(C)cc(C)c(CC(=O)O)c2C)CC1 382490035 CDJRGRIZRRQXPQ-UHFFFAOYSA-N 337.441 2.580 30 50 EFEA COC[C@@H]1CN(c2c(C#N)cnc3ccccc23)C[C@H]1c1cnn(C)c1 853730688 UCBPWPDKCDMALW-WMZOPIPTSA-N 347.422 2.706 30 50 EFEA CN1C(=S)S[C@@](C)(/[N+]([O-])=C/c2ccc([N+](=O)[O-])cc2)C1(C)C 3664147 XMENNPMGTNCEDS-SLVCOGOPSA-N 339.442 2.982 30 50 EFEA C#CCCC1(CCN2C(=O)C(=O)N(c3ccc(C)cc3C)C2=O)N=N1 2325891465 IJXFLNPUXMWFOG-UHFFFAOYSA-N 338.367 2.564 30 50 EFEA C=C(C)C[C@@H]1N(c2ccccc2F)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 535849 VSBXQTUZEZYYDS-XZLOLGPPSA-N 343.354 2.532 30 50 EFEA C#C[C@H](NC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)C(C)C 252485207 GPCFKSTZQAHBAH-ROUUACIJSA-N 345.418 2.576 30 50 EFEA N#Cc1cccc(N2CCC(c3nccn3Cc3ccccn3)CC2)n1 91656498 TZDOZZHNKPWTOJ-UHFFFAOYSA-N 344.422 2.977 30 50 EFEA Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 299743101 LULFHQFZJSOYNK-YOEHRIQHSA-N 327.359 2.543 30 50 EFEA C=CCOc1ccc(CN(C)C2CCS(=O)(=O)CC2)cc1CC=C 820505635 KHNURIRNROBLSC-UHFFFAOYSA-N 349.496 2.989 30 50 EFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)o1 1506421857 KFKSZBZTWGONLU-SFHVURJKSA-N 339.391 2.616 30 50 EFEA N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CNC(=O)C2)c1 1857530576 JLFVMGYJHWTQTC-UHFFFAOYSA-N 341.754 2.533 30 50 EFEA Cc1noc(C)c1C/N=C(/O)[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C 328614968 XIZBLNZYCFNSTL-BBRMVZONSA-N 332.404 2.876 30 50 EFEA CO[C@H]1CCN([C@H]2CCC[C@H]2NCc2ccc(C#N)cc2Cl)C1 886082591 SYRLOPGDUAUTNN-JQHSSLGASA-N 333.863 2.943 30 50 EFEA COc1cccc(OCCOc2ccccc2/C=N/n2cnnc2)c1 2968662 ZJRWLDDXXJTTNN-CIAFOILYSA-N 338.367 2.627 30 50 EFEA N/C(=N\OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1 4725316 BRSRITLVCOPWOM-UHFFFAOYSA-N 343.383 2.975 30 50 EFEA N#Cc1cccc(-n2ccc(C(=O)Nc3cc([C@@H]4CCCO4)n[nH]3)n2)c1 253396109 ZQADALUOIWYFQY-INIZCTEOSA-N 348.366 2.571 30 50 EFEA COC(=O)c1cc(Br)cc(C(=O)N(C)[C@H](C)CC#N)c1 253427559 ANDQZJGIVRHSBI-SECBINFHSA-N 339.189 2.610 30 50 EFEA CC(=O)N[C@@H]1CN(c2nc(C)cc(C)c2C#N)C[C@H]1c1ccc(C)o1 95503216 SMUUPUROMGVCIS-IAGOWNOFSA-N 338.411 2.580 30 50 EFEA CC#C[C@H]1[C@@]2(C)[C@@H](CC)[C@@]3(Br)[C@](C)([C@@]13C)S2(=O)=O 252427871 IZMOMVHASBKFLY-FDFVQJQPSA-N 331.275 2.765 30 50 EFEA CC#CCN1[C@H](c2ccc(Br)cc2)CCS1(=O)=O 1875275603 BOJGLUWSEISQKW-ZDUSSCGKSA-N 328.231 2.549 30 50 EFEA N#Cc1c(C(=O)Nc2cnc3c(c2)C[C@@H](N)CC3)[nH]c2ccccc12 1875337394 TYIGJMLRORBUJU-LBPRGKRZSA-N 331.379 2.503 30 50 EFEA C=CCn1c(=O)c(C(=O)Nc2cc(C)ccn2)c(O)c2ccccc21 100331650 IEWBZVPMCMXQNU-UHFFFAOYSA-N 335.363 2.849 30 50 EFEA Cc1c(/C=C2\SC(=N)NC2=O)c(O)n2c(nc3ccccc32)c1C#N 22239172 YPRKPPWNWQNBTA-MLPAPPSSSA-N 349.375 2.512 30 50 EFEA C[C@@H]1CCO[C@@H]1/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328625264 KOKVALWLYPHZBP-BREBYQMCSA-N 331.338 2.846 30 50 EFEA CN(C)c1ccc(N[C@@H]2CCCN(c3ccc(C#N)cn3)CC2)cn1 328652981 WRRRGTXXAKKTMY-MRXNPFEDSA-N 336.443 2.885 30 50 EFEA Cc1cc(C)c(C#N)c(NCCCS(=O)(=O)c2ccccc2)n1 299254989 DONHQAFEBANEIW-UHFFFAOYSA-N 329.425 2.846 30 50 EFEA Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)CSCC#N)C1 171012344 CVDYPDMDRYTIRT-CYBMUJFWSA-N 337.876 2.848 30 50 EFEA N#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2386115 FJSOTHAUCCEZLI-KRWDZBQOSA-N 336.347 2.892 30 50 EFEA in-vitro COCC[C@@H](CO)/N=C(/O)Nc1cc(-c2ccccc2)nn1C(C)C 328597854 JCNSOOXEOBHHAD-HNNXBMFYSA-N 346.431 2.854 30 50 EFEA C(=N/Nc1ccc2ccccc2n1)\c1cn(Cc2cccnc2)nn1 1875259011 VNKGXUIUSJRBFD-RGVLZGJSSA-N 329.367 2.716 30 50 EFEA C#CCCC1(CCNC(=O)[C@@H]2CCCc3cn(C(C)C)nc32)N=N1 2325900020 IFAPSUFYZBECNS-OAHLLOKOSA-N 327.432 2.966 30 50 EFEA Cc1nc(CCn2ccnc2-c2ccc(C#CC(C)(C)O)s2)no1 77459817 XLNQCXMVEGTYHE-UHFFFAOYSA-N 342.424 2.668 30 50 EFEA CS(=O)(=O)c1ccc2c(c1)CCN(c1ccc(F)cc1C#N)CC2 374671976 AXMDEYXYQXMLNC-UHFFFAOYSA-N 344.411 2.706 30 50 EFEA CCN(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccncc1 288291801 GTULBXSOQPZIJE-HNNXBMFYSA-N 338.386 2.972 30 50 EFEA N#CCSc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1 20457354 BJVUDRPAAUWDBY-VGOFMYFVSA-N 337.206 2.629 30 50 EFEA CN1CCC[C@@H]1CCNC(=O)c1ccc(-c2cc(C#N)ccn2)cc1 426628260 NFHXDLQCTYKUNV-GOSISDBHSA-N 334.423 2.834 30 50 EFEA CC(C)Nc1ncc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cn1 97468071 SKACSTLAPRSYOK-UHFFFAOYSA-N 349.438 2.994 30 50 EFEA N#Cc1cccc(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)n1 426533844 TZYBXTLSWFKVJL-KRWDZBQOSA-N 332.407 2.596 30 50 EFEA N#Cc1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)cc1 91792864 LBRLPRWPCAFUKS-AZUAARDMSA-N 346.434 2.576 30 50 EFEA N#Cc1cc(F)c(N2CCN(C(=O)c3ccc(O)cc3)CC2)c(F)c1 170604896 MUIFATRZMUYGBD-UHFFFAOYSA-N 343.333 2.504 30 50 EFEA O=c1c(/C=N/NC(=S)NC2CCCCC2)coc2ccccc12 4210316 SEOUBZXVLCMBLW-VCHYOVAHSA-N 329.425 2.924 30 50 EFEA COc1cccc([C@@H]2C[C@@H](O)CN2CCOc2cccc(C#N)c2)c1 225731406 KMQGWOQJPFPRPW-XLIONFOSSA-N 338.407 2.754 30 50 EFEA CN(C)Cc1cc(O[C@@H]2CCN(Cc3ccc(C#N)s3)C2)ccn1 1775959158 LFQUYRCQKMNSAT-MRXNPFEDSA-N 342.468 2.730 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H]2CCC(=O)N(c3ccccc3)C2)N=N1 2325899925 FCGFDWKNVIFUTQ-OAHLLOKOSA-N 338.411 2.654 30 50 EFEA COC(=O)c1cc(Cl)c2cccc(B3OC(C)(C)C(C)(C)O3)c2n1 170004755 QWMUVEBCZPUOHD-UHFFFAOYSA-N 347.607 2.974 30 50 EFEA COC(=O)c1n[nH]cc1-c1cc(-c2ccc(C)cc2C)nc(N)c1C#N 67920133 BCSKVTICETZNTD-UHFFFAOYSA-N 347.378 2.996 30 50 EFEA N#Cc1cccnc1N1CCC(n2ccnc2-c2ccc(CO)o2)CC1 77377762 UCHCXMFADHTBIL-UHFFFAOYSA-N 349.394 2.744 30 50 EFEA C=CCc1c(C)nc(N)nc1NCCc1noc(C2CCCC2)n1 95359888 QNYACAYUKYGBSZ-UHFFFAOYSA-N 328.420 2.791 30 50 EFEA CN(C)C(=O)c1cc(NC(=O)N[C@H](CC#N)c2ccccc2)ccn1 170600061 OJLRWUWKFVUJKW-OAHLLOKOSA-N 337.383 2.560 30 50 EFEA COc1ccccc1N1CCN(/N=C\c2ccc(N(C)C)cc2)CC1 5052219 WUTRXVOJLOUWFC-PGMHBOJBSA-N 338.455 2.917 30 50 EFEA CCCC[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@H](C2CC2)O1 1875242715 YQQLIKJTHQOSBA-SJLPKXTDSA-N 348.468 2.917 30 50 EFEA CCN(CC(=O)O)C1CC(/N=C(/O)CCOc2cccc(C)c2)C1 328641155 QJZQAGRHCKHUQV-UHFFFAOYSA-N 334.416 2.658 30 50 EFEA CC[C@H](C#N)C(=O)NCc1ccc(-n2cc(C(C)(C)C)nn2)cc1 1875323239 CEQPKUMGVXZFFI-CQSZACIVSA-N 325.416 2.731 30 50 EFEA C#CCCC1(CCNC(=O)c2c(C)nn([C@H]3CCCCO3)c2C)N=N1 2325887383 MBGWDVOCSFPSAG-OAHLLOKOSA-N 343.431 2.894 30 50 EFEA Cn1ccnc1N1CCC(/N=C(/O)Cc2ccc3c(c2)CCO3)CC1 328742485 JNDOZKSUKFOCSC-UHFFFAOYSA-N 340.427 2.523 30 50 EFEA Cn1cnc(CNc2c(Br)cc(Cl)cc2C#N)n1 252494132 NMAHUCWHGDAYSC-UHFFFAOYSA-N 326.585 2.715 30 50 EFEA Cc1n[nH]c([C@H]2CN(c3cc(C#N)ccc3C(F)(F)F)CCO2)n1 126549535 IVIQJJLUECMQNX-CYBMUJFWSA-N 337.305 2.582 30 50 EFEA C#CCCC1(CCNC(=O)[C@@]2(Cc3ccc(F)cc3)CCCO2)N=N1 1875368768 OUSLFJDGNKGYNW-SFHVURJKSA-N 343.402 2.999 30 50 EFEA C=CCN1CCC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC)CCCC2 55254838 FDRCFYAYQJXQRS-ZDUSSCGKSA-N 347.484 2.575 30 50 EFEA Cc1oc(C#N)cc1C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 348261677 PZWKQCIKFFBINM-BDJLRTHQSA-N 332.306 2.686 30 50 EFEA Cc1nccn1C[C@H]1CCCN1/C(O)=N/CCc1cccc(C#N)c1 328588062 OLEDIXYWSLIEQQ-GOSISDBHSA-N 337.427 2.684 30 50 EFEA N#Cc1ccc(N2CCN(C(=O)c3conc3C3CC3)CC2)c(F)c1 329782021 NPMKCOARASIYSA-UHFFFAOYSA-N 340.358 2.525 30 50 EFEA Cc1nc([C@H]2CCCN(C(=O)C/N=C(/O)CCC3CCCC3)C2)n[nH]1 329507388 ZYWOICRAJZDFOZ-HNNXBMFYSA-N 347.463 2.746 30 50 EFEA C#CCCC1(CCC(=O)Nc2cccc([C@@]3(C)COC(=O)N3)c2)N=N1 2325892232 FQAWJVOIMDOBIF-QGZVFWFLSA-N 340.383 2.936 30 50 EFEA N#C[C@@H]1CSCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 253418178 VGBNEXLBAPXPEQ-DOTOQJQBSA-N 347.459 2.505 30 50 EFEA Cc1cccc(N=C(O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1 328616664 BZBWNEMMDHCIRF-WMZOPIPTSA-N 339.443 2.955 30 50 EFEA COc1ccccc1[C@H]1O[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@@H]2C 226963726 LUFYEGVOQAFEAJ-QQFPMYEESA-N 336.351 2.670 30 50 EFEA C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cnc(C#N)cn1)C2 705647167 OERFHQWSKMZSJU-BGYRXZFFSA-N 333.439 2.697 30 50 EFEA C[C@H]1OCCC[C@@H]1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 191273945 IBWZMJCTANIMOQ-KDOFPFPSSA-N 328.412 2.743 30 50 EFEA C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(C(N)=O)CC2)c1 194204 KNJSVUIOPBFMMJ-UHFFFAOYSA-N 329.444 2.862 30 50 EFEA CN(C)c1nc(CO/N=C(\N)C23CC4CC(CC(C4)C2)C3)ns1 134653224 BYHYGOMSDMOQOF-UHFFFAOYSA-N 335.477 2.609 30 50 EFEA CN/C(=N/Cc1cc(Br)ccc1OC(F)F)NC1CC1 253420693 VBBJCYUERHZRDL-UHFFFAOYSA-N 348.191 2.878 30 50 EFEA COc1cc(/C=N\Nc2nnc3c(n2)[nH]c2c(C)cccc23)ccc1O 32608646 DFIFUWVRQDSZMH-OCKHKDLRSA-N 348.366 2.975 30 50 EFEA Cc1cc(C)c(N=C(O)N2CCN(CCOC(C)C)CC2)c(C)n1 331311605 HSNTWJFURUSZGU-UHFFFAOYSA-N 334.464 2.595 30 50 EFEA C=C(C)COc1ccccc1NC(=O)N1C[C@H](O)[C@@H](OC(C)C)C1 95519620 AELXFGWXOBANQJ-RDJZCZTQSA-N 334.416 2.644 30 50 EFEA C=CCN1CC2(CCC1=O)CCN(C(=O)Cc1cccc(C)c1)CC2 91663476 HOAABDDNPGIVEF-UHFFFAOYSA-N 340.467 2.955 30 50 EFEA C=CCOc1ccc(C(=O)N2CCO[C@@H](C3CCC3)C2)cc1OC 408520945 CKXYJMYNGFZLIH-GOSISDBHSA-N 331.412 2.901 30 50 EFEA CC[C@@H](CC#N)NS(=O)(=O)c1cccc(C)c1Br 186431828 HTLRJMQRSHINRY-JTQLQIEISA-N 331.235 2.728 30 50 EFEA CC(C)NS(=O)(=O)c1cc(C#N)ccc1N1C[C@H]2CCCC[C@H]2C1 170602011 RGAHEMJHNZDPHD-IYBDPMFKSA-N 347.484 2.871 30 50 EFEA CCOC(=O)COc1ccccc1/C=C1\N=C(SC)SC1=O 458473 CSTADJPVJZPABG-FLIBITNWSA-N 337.422 2.962 30 50 EFEA C[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@@H](C)O1 19902705 NGUCHHJHPKUYRS-UPJWGTAASA-N 347.484 2.792 30 50 EFEA CCn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)[C@@H]1C[C@H]1c1cccnc1 328627360 MSJUFVBPBNRVFX-FZKCQIBNSA-N 326.400 2.888 30 50 EFEA C[C@]12CCC(=O)N1[C@@H](C(O)=Nc1nc3ccc(F)cc3[nH]1)CS2 328596384 MCEQWROFDOQTRN-ABAIWWIYSA-N 334.376 2.744 30 50 EFEA Cc1cncc(N=C(O)N2CC[C@@H](Oc3cccnc3N(C)C)C2)c1 328616184 BKSDEECAPYJJGK-OAHLLOKOSA-N 341.415 2.550 30 50 EFEA Cc1ccccc1-c1noc(C)c1/C(O)=N/[C@H]1CCCS(=O)(=O)C1 330017777 RSKCFJOBWJRWPE-ZDUSSCGKSA-N 348.424 2.840 30 50 EFEA COc1cccc([C@H]2O[C@@]3(C)OC(=N)[C@@](C#N)([C@@H]3C)C2(C#N)C#N)c1 217608504 LDVUBUDWDJEHNC-BKBPNQFYSA-N 336.351 2.670 30 50 EFEA N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1cccc([C@H]2CCOC2)c1 408513708 NCGPYJPEVPSOCM-OALUTQOASA-N 348.402 2.829 30 50 EFEA N#Cc1nc(-c2ccc(F)cc2)oc1S(=O)(=O)N1CCCCC1 1775975588 JDQYBHOTWIVSCH-UHFFFAOYSA-N 335.360 2.527 30 50 EFEA C=C(C)CNC(=O)c1cc(COc2ccc(C(C)=O)cc2OC)on1 12703657 PEJQVBYETSAHRJ-UHFFFAOYSA-N 344.367 2.771 30 50 EFEA CCOC(=O)c1ccc(C(=O)NC2(c3cccc(C#N)c3)CC2)nc1 343347294 SUYZZQFKCXSAFM-UHFFFAOYSA-N 335.363 2.549 30 50 EFEA N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl 4827051 KPZCYJKOLFBZBV-UHFFFAOYSA-N 336.027 2.756 30 50 EFEA COc1cc(NC(C)C)c([N+](=O)[O-])cc1B1OC(C)(C)C(C)(C)O1 170003526 WNFKOLCLYGZKLA-UHFFFAOYSA-N 336.197 2.723 30 50 EFEA N#Cc1cccc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)n1 426533855 TZYBXTLSWFKVJL-QGZVFWFLSA-N 332.407 2.596 30 50 EFEA Cc1cc(C)c(C#N)c(N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)n1 91793129 AZCBORMIUYCKQV-HXUWFJFHSA-N 338.455 2.799 30 50 EFEA CC(C)C[C@]1(CO)CCCN1C(O)=Nc1cn(C)nc1C(F)(F)F 331053345 ZNMQBEKEGKXMAA-AWEZNQCLSA-N 348.369 2.857 30 50 EFEA C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)S(=O)(=O)Cc1ccc(C#N)cc1 1775993924 OMHRZYLLQVECNM-JKIFEVAISA-N 348.468 2.556 30 50 EFEA C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(F)cc2)c2ccccc21 85896 TUHWNZKULWGTIC-IBGZPJMESA-N 325.339 2.819 30 50 EFEA COc1cccc(N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)c1 8050318 XDVQRGHJMOYKGK-UHFFFAOYSA-N 338.367 2.802 30 50 EFEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)Cc2c(C)noc2C)cn1 328618700 DYBGCXFMSAINFX-DOTOQJQBSA-N 332.404 2.927 30 50 EFEA CC(C)(/C(O)=N/Cc1ccn(C2CCCC2)n1)S(=O)(=O)C1CC1 328827799 SQNWFJISRCJBLQ-UHFFFAOYSA-N 339.461 2.811 30 50 EFEA O=C(C#CC1CC1)NCCN=[S@@](=O)(c1ccccc1)C(F)(F)F 952993967 MLKNUIHGHCHJAZ-HSZRJFAPSA-N 344.358 2.563 30 50 EFEA C#CCCC1(CCNC(=O)c2cnc(Oc3ccccc3)cn2)N=N1 1875368982 UUXWZPBGRWVQTA-UHFFFAOYSA-N 335.367 2.964 30 50 EFEA C#CCCC1(CCNC(=O)c2cccc(N=c3cc[nH]cc3)c2)N=N1 2325891150 UFRZYXZCXLQTBY-UHFFFAOYSA-N 333.395 2.943 30 50 EFEA C=C(C)COc1cccc(C(=O)NCc2cn3c(n2)SCC3)c1 55386003 DDHLYMFQWYQBHA-UHFFFAOYSA-N 329.425 2.874 30 50 EFEA N#Cc1ccnc(N2CCC(CO)(Cc3cccc(F)c3)CC2)c1 67714311 KCNZWQXOARBIMV-UHFFFAOYSA-N 325.387 2.914 30 50 EFEA N#Cc1ccc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)nc1 91908311 CGAMLUSIWZRVHA-GOSISDBHSA-N 344.422 2.977 30 50 EFEA C#CCCC1(CCC(=O)N[C@@](C)(CC)c2nc(O)cc(CC)n2)N=N1 2325899682 QWQFDPJCTBEEAP-KRWDZBQOSA-N 343.431 2.842 30 50 EFEA C=CCNS(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 4839930 DQRXIMVWKKBCNR-UHFFFAOYSA-N 330.409 2.712 30 50 EFEA COCCOCCCNc1c(C#N)cnc2c(F)c(F)c(F)cc12 281018424 RXHYTFKGUILFDA-UHFFFAOYSA-N 339.317 2.989 30 50 EFEA Cc1ncsc1N=C(O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1 329443177 BUFXUTFURNVONX-ZIAGYGMSSA-N 331.397 2.638 30 50 EFEA COC(C)(C)C(=O)N[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1C(C)C 91270185 VEDIDCCLNADAOH-MSOLQXFVSA-N 343.471 2.556 30 50 EFEA N#Cc1cc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)ncn1 408514562 ROBTVWMKNONXBR-MJGOQNOKSA-N 333.439 2.839 30 50 EFEA N#CCNC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12 2739019 DGOVLBYXRTZFIS-UHFFFAOYSA-N 345.284 2.668 30 50 EFEA CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCC2=O)cc1 225634473 MLFCKNCSJOZIKT-UHFFFAOYSA-N 334.379 2.959 30 50 EFEA Cc1nsc(NCc2ccccc2CN2CCC(O)CC2)c1C#N 240912258 IWWVSOPUAOQOKT-UHFFFAOYSA-N 342.468 2.892 30 50 EFEA C[C@@H](c1nc(C2CC2)no1)N1CC[C@@H](CNc2ccc(C#N)cn2)C1 222201465 JZZKJWJVSZHBTG-JSGCOSHPSA-N 338.415 2.709 30 50 EFEA CC(=O)[C@@H]1C[C@H](O)[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 257356913 LCDAMWASKLSANR-JMCQKSGCSA-N 346.467 2.665 30 50 EFEA Cc1ccc([C@@H]2CN(C(=O)NCc3cccc(C#N)c3)CCO2)o1 170053590 OYRFRFNRRZPNDN-KRWDZBQOSA-N 325.368 2.743 30 50 EFEA O=C(CC1=C(c2ccccc2)CCC1=O)Nc1cnn2c1NCCC2 1506412410 CHXILURRZWIWSV-UHFFFAOYSA-N 336.395 2.844 30 50 EFEA CC(C)N(CCc1nccs1)S(=O)(=O)c1ccc(C#N)cc1 155573165 MCSBGJYHELVEQM-UHFFFAOYSA-N 335.454 2.657 30 50 EFEA CN(C)C(=O)[C@H]1CC[C@@H](C2CCN(c3ccc(F)cc3C#N)CC2)O1 1775957708 JQVZIVAMNVFEPM-ZWKOTPCHSA-N 345.418 2.550 30 50 EFEA C#CCCC1(CCNC(=O)CCc2cc3cccnc3nc2C)N=N1 2325891494 KLJLRGZBHNQPFD-UHFFFAOYSA-N 335.411 2.953 30 50 EFEA Cc1ccc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)s1 225818051 NYDREOWRIDIZSA-UHFFFAOYSA-N 332.454 2.656 30 50 EFEA CC1(C)CC(=O)C2(C(=O)C1)[C@@H](c1ccccc1[N+](=O)[O-])C2(C#N)C#N 5523106 ALBJJMHPKSFFTI-HNNXBMFYSA-N 337.335 2.670 30 50 EFEA N#Cc1ccc(OC2CCN(c3cccc(C(=O)O)n3)CC2)c(F)c1 263409036 LQWPMNAADCEUDE-UHFFFAOYSA-N 341.342 2.838 30 50 EFEA N#Cc1cccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccn2)C3)c1 1565507785 GAVQEKKNPMBTAX-XLIONFOSSA-N 346.434 2.690 30 50 EFEA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1cc(F)cc(C#N)c1 952971066 CADOKPOAELOPEA-CQSZACIVSA-N 343.402 2.560 30 50 EFEA C=CCOc1ccc(Cl)cc1CN1C[C@@H]2CCOC[C@]2(CO)C1 1857669330 HJNMAUQIPOGXRO-MAUKXSAKSA-N 337.847 2.736 30 50 EFEA Cc1c(C#N)c(N2CCC(N3CCOCC3)CC2)nc2ccccc12 1857677562 IEUNAHYOPQRDIO-UHFFFAOYSA-N 336.439 2.716 30 50 EFEA N#Cc1ccc(N2CCC(O)(c3cccc4cnccc34)CC2)nc1 952882130 LYIFCRFIWZRHKU-UHFFFAOYSA-N 330.391 2.989 30 50 EFEA C=C1CC(C)(c2noc([C@H]3CC=CC[C@H]3C(=O)N3CCOCC3)n2)C1 896916502 XXWKIBRWBTVGKY-LSDHHAIUSA-N 343.427 2.586 30 50 EFEA C=CCn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O 250010 NWXJTUPMOPAZGH-UHFFFAOYSA-N 343.452 2.687 30 50 EFEA CN(C)c1ncc2c(n1)[C@@]1(CCCN(Cc3cccc(C#N)c3)C1)CC2 2356143348 DJTKWOJMTGOJNA-NRFANRHFSA-N 347.466 2.894 30 50 EFEA C=CCNC(=O)CN1c2ccccc2[C@H](C(=O)N[C@@H](C)CC)C[C@H]1C 230058415 COMBULIRYMFJFQ-ZMSDIMECSA-N 343.471 2.586 30 50 EFEA CC1(C)C(O)=Nc2ccc(/C(O)=N/[C@H]3CCCn4ncnc43)cc21 330244862 XLJNXHFQXRSAPF-ZDUSSCGKSA-N 325.372 2.997 30 50 EFEA OC[C@H](CN1CCCCC1)/N=C(/O)c1csc(Br)c1 330608212 MNXOGGULFYOJJV-NSHDSACASA-N 347.278 2.662 30 50 EFEA C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO 13513592 OMFXVFTZEKFJBZ-HJTSIMOOSA-N 346.467 2.667 30 50 EFEA endogenous,investigational Cc1ccc(C(=O)NC[C@H](C)CN=c2c(C#N)c[nH]c3ccccc23)[nH]1 1875334130 ZPQSFAADPDNQTE-CYBMUJFWSA-N 347.422 2.643 30 50 EFEA N#CCC1(COC(=O)c2ccc(F)c(Br)c2)COC1 888099332 ITNYFVKUEJAGDY-UHFFFAOYSA-N 328.137 2.675 30 50 EFEA Cc1cc2oc(=O)c3c(c2c(O)c1C(=O)/C=C/N(C)C)CCCC3 2084329504 VNYFLHVHNWHTGX-CMDGGOBGSA-N 327.380 2.944 30 50 EFEA COc1cccc([C@@H]2C[C@H](O)CN2CCOc2ccccc2C#N)c1 225728558 JQQVJQXGDXZUKZ-HKUYNNGSSA-N 338.407 2.754 30 50 EFEA C[C@H]1CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 229477655 GHNWWUNIOSHBCO-QWHCGFSZSA-N 347.484 2.936 30 50 EFEA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2nc(C)cc(C)c2C#N)C1 372167551 SZALDSMMPMMJDT-AWEZNQCLSA-N 338.415 2.636 30 50 EFEA N#Cc1ccc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)nc1 91494609 LRNXWDLDKPIJAR-KRWDZBQOSA-N 344.422 2.977 30 50 EFEA COc1ccc(CNC[C@@H]2CCCO[C@H]2c2cc[nH]n2)cc1C#N 818259438 RIZDWBPNRRYRFV-KBXCAEBGSA-N 326.400 2.547 30 50 EFEA O=[N+]([O-])c1ccc(N/N=C/c2ccc([N+](=O)[O-])s2)c([N+](=O)[O-])c1 100031017 CEDVTDLVLVWIFM-WUXMJOGZSA-N 337.273 2.919 30 50 EFEA N#CCc1cccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)c1 262893002 LOTIZYDPUMAVAW-ZWKOTPCHSA-N 334.375 2.693 30 50 EFEA C#CCN(CC)C(=O)c1cnc(Br)c(Br)c1 382292435 VDFNWPIWSPKGAA-UHFFFAOYSA-N 346.022 2.702 30 50 EFEA Cc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 16916112 UQAKGFILVVOSKA-UHFFFAOYSA-N 345.712 2.809 30 50 EFEA C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(CC)CC)cc1 3902556 ARULSSXTTCOQHG-QGZVFWFLSA-N 343.427 2.890 30 50 EFEA C=CC[C@@H]1N(c2ccccc2Cl)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 4981864 WUUOXQDEXRFYJX-KQVLKZGSSA-N 345.782 2.656 30 50 EFEA O/C(=N/[C@@H]1CCCc2sccc21)N1CCC[C@H]1Cn1ccnn1 329166861 IANARLKZVJBQDA-GXTWGEPZSA-N 331.445 2.796 30 50 EFEA N#Cc1ccccc1-c1ccc(-c2cn(CCn3cccn3)nn2)o1 95384898 UVUVBCLFXFCUNX-UHFFFAOYSA-N 330.351 2.973 30 50 EFEA CN(Cc1nccs1)[C@@H]1CC12CCN(c1ccc(C#N)cn1)CC2 275784190 SAPCREGDDWFZCE-OAHLLOKOSA-N 339.468 2.901 30 50 EFEA Cc1c(C#N)c2ccccc2n1CC(=O)NCc1ccc2c(c1)OCO2 29033 MUKCHOWMUIOSCC-UHFFFAOYSA-N 347.374 2.867 30 50 EFEA Cc1cc(NC(=O)C(=O)N(C)CC(C)(C)C#N)ccc1C(F)(F)F 342931818 CTGDMHXHBFQFMP-UHFFFAOYSA-N 341.333 2.961 30 50 EFEA CN(C)c1ccc(C(C#N)(C#N)C2C(=O)c3ccccc3C2=O)cc1 100826706 VTCQRXOHASTDPU-UHFFFAOYSA-N 329.359 2.733 30 50 EFEA COC(=O)[C@@H](c1ccccc1Cl)N1CC[C@@H]2SC(=O)C=C2C1 22065579 JBSAZVIMJUOBNB-DZGCQCFKSA-N 337.828 2.828 30 50 EFEA in-vitro N#Cc1c(F)cccc1N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO 229817934 SMWOLXQORXBSDR-VQIMIIECSA-N 339.414 2.992 30 50 EFEA CCCn1cc(/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)cn1 328634231 TVDRJKXFGAGMHL-RDJZCZTQSA-N 327.432 2.686 30 50 EFEA Cc1ccccc1C(=O)NCC(=O)N[C@H](C#N)c1cccc(Cl)c1 154782422 BNDALPPWADFJMM-MRXNPFEDSA-N 341.798 2.759 30 50 EFEA N#Cc1c(CCCNC(=O)C2=CCCCC2)nn(-c2ccccc2)c1N 195572858 OLKWSNSVVCQPDO-UHFFFAOYSA-N 349.438 2.875 30 50 EFEA C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1cccnc1 32745 WIOKITOCKQNJPY-UHFFFAOYSA-N 343.456 2.677 30 50 EFEA Cc1cc2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)ccc2o1 91876857 OXEXURJYECCLQX-UHFFFAOYSA-N 346.390 2.970 30 50 EFEA C=CCOc1ccc(CN2CCN3C(=O)OC[C@H]3C2)cc1CC=C 820505673 RPHQYBLSMFDFKF-QGZVFWFLSA-N 328.412 2.616 30 50 EFEA N#CC1(C#N)[C@@H](c2cccnc2)O[C@@]23CCCCC[C@H]2[C@@]1(C#N)C(=N)O3 206003612 PWRHDKABVDIAPR-QGWWYQLQSA-N 347.378 2.981 30 50 EFEA CSC[C@@H](C)/N=C(/O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328631209 QPQIINMWLLEYJI-KBMXLJTQSA-N 336.505 2.672 30 50 EFEA CCC(C)(C)N[C@@H](C)C(=O)Nc1ccc(-n2cc(C#N)cn2)cc1 1875299187 CBMUJFWOMZYFIW-ZDUSSCGKSA-N 325.416 2.849 30 50 EFEA CCOc1ccc(/C=C/c2nc(C#N)c(N3CCN(C)CC3)o2)cc1 4840032 JTCGMQFNAAWHFO-RMKNXTFCSA-N 338.411 2.867 30 50 EFEA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2nc(C)cc(C)c2C#N)C1 372167552 SZALDSMMPMMJDT-CQSZACIVSA-N 338.415 2.636 30 50 EFEA CCn1ccnc1CN(C)[C@@H](C(=O)O)c1ccc(C(C)(C)C#N)cc1 95362841 RFCRCRQNFBOPNS-QGZVFWFLSA-N 340.427 2.962 30 50 EFEA OCCn1cc(-c2ccc3c(c2)CCC3=NO)c(-c2ccncc2)n1 255968859 DEZZLWQELQORIU-UHFFFAOYSA-N 334.379 2.729 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)c2cc(C)ccc2C)cc1OC 5059501 IWANRGBCWVOOMX-UHFFFAOYSA-N 328.368 2.798 30 50 EFEA C#Cc1cccc(C(=O)NC[C@@H]2CC(Cc3ccc(F)cc3)=NO2)c1 11965770 GNHXBIYKJNSZJT-IBGZPJMESA-N 336.366 2.924 30 50 EFEA C[C@@H]1CN(c2snc(Cl)c2C#N)CCN1c1ccncc1F 1775991667 SVGIRVXLGPWWLS-SECBINFHSA-N 337.811 2.917 30 50 EFEA Cc1ccc(CN2CCN(N=Cc3ccc(O)cc3O)CC2)c(C)c1 2321664 QUIHIMFSIVRMLM-UHFFFAOYSA-N 339.439 2.866 30 50 EFEA C=C(C)CNc1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cn1 20917619 SZUSPRSUUUGDIR-UHFFFAOYSA-N 339.443 2.819 30 50 EFEA C[C@@H]1CN(C(O)=Nc2ccccc2OC(F)F)C[C@]2(CCOC2)O1 328587643 DRXYTVOACZAYAF-BZNIZROVSA-N 342.342 2.713 30 50 EFEA CC(C)(C)[C@H](C#N)NC(=O)c1cc(Br)cc2[nH]cnc12 282301927 GHAYOGFTCPQBLQ-NSHDSACASA-N 335.205 2.993 30 50 EFEA C[C@H]1OCCC[C@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 277329269 VGEZLPZJGKWLOI-RDTXWAMCSA-N 328.412 2.743 30 50 EFEA CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 190574274 AWKNZNSTKLRPJX-GOSISDBHSA-N 334.423 2.547 30 50 EFEA COc1cccc(/C=N/N2CCN(c3ccc(C)cc3)CC2)c1O 136671 WYAHWUYVYKTXKZ-XSFVSMFZSA-N 325.412 2.865 30 50 EFEA COc1ccc(NC(=S)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 2506341 CIJBQJHOMGIMSW-CXUHLZMHSA-N 346.368 2.630 30 50 EFEA Cc1ccc2ncc(C#N)c(N3CCN([C@@H]4CCCN(C)C4)CC3)c2c1 368194989 UHCXJKNQEQMTMY-GOSISDBHSA-N 349.482 2.631 30 50 EFEA C#CCCC1(CCNC(=O)CCNc2cc(C)ccc2OC)N=N1 2325891050 NLOWYUKPWUXQHP-UHFFFAOYSA-N 328.416 2.887 30 50 EFEA Cc1cccn2cc(C/N=C(/O)[C@@H]3CCO[C@H]3c3ccnn3C)nc12 328622832 ISAZFVPEIRPDKD-GDBMZVCRSA-N 339.399 2.611 30 50 EFEA COC(=O)c1cc(-c2cccc(OC(F)F)c2)nc2c(C#N)cnn12 20605744 SPXKUEIBSVXSKV-UHFFFAOYSA-N 344.277 2.656 30 50 EFEA C=CC[C@@]1(C(=O)O)CCCN(Cc2c(CC)nn(C)c2Cl)C1 91535611 SDJDPEQDNWHTGB-MRXNPFEDSA-N 325.840 2.879 30 50 EFEA CN1CCC(CNC(=O)c2cccc(C#N)c2)(c2ccccc2)CC1 584885610 ZXRNBWCZOUUMLM-UHFFFAOYSA-N 333.435 2.952 30 50 EFEA Cc1ccccc1-c1nc(C#N)c(S(=O)(=O)N2CCC(C)CC2)o1 1775964826 GKBFZZUCOVMPMF-UHFFFAOYSA-N 345.424 2.942 30 50 EFEA C=C(C)CN(C)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 12001767 WSDBNMISHWTGDY-UHFFFAOYSA-N 330.340 2.630 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H]2CCO[C@@H](c3ccncc3)C2)N=N1 952882156 RVPKKWNUTSVOQD-HZPDHXFCSA-N 326.400 2.774 30 50 EFEA Cn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1c1cccc(F)c1C#N 1875399902 LVLISAZUOYMQSE-IAQYHMDHSA-N 327.363 2.509 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cn(C)nc1C 20606632 UPNXXRJVUOCIHS-INIZCTEOSA-N 343.427 2.506 30 50 EFEA Cc1cc(OCC(=O)c2ccc3c(c2)CCC(=O)N3C)c(C#N)c(C)n1 155965178 PDQTWJIQXYDILO-UHFFFAOYSA-N 349.390 2.741 30 50 EFEA C[C@H](C(=O)NC1CCCC1)N1CCC(C#N)(c2ccccc2)CC1 244595108 DOUFMEJELLFQHI-MRXNPFEDSA-N 325.456 2.991 30 50 EFEA COC[C@H](C)n1c(C)cc(C(=O)Cn2ccc(C)c(C#N)c2=O)c1C 185032495 WATHKMSVKHMHQR-AWEZNQCLSA-N 341.411 2.537 30 50 EFEA CCN(CC)c1ccc(/C=C2/S/C(=N\C(C)=O)NC2=O)c(OC)c1 5564266 AZWHTMVHDOMURH-OQLLNIDSSA-N 347.440 2.648 30 50 EFEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2ccc(F)c(C#N)c2)C1 888103101 GRWYIFXXYUZNIB-ZBFHGGJFSA-N 342.374 2.640 30 50 EFEA C#CCCC1(CCC(=O)N2CC[C@@H]3C[C@@H](C(=O)O)CC[C@H]3C2)N=N1 2325901032 QYDKYFXGLPZHGL-ILXRZTDVSA-N 331.416 2.692 30 50 EFEA N#C[C@@H]1CCC[C@H](NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)C1 225356564 YASLPYBCLVCVKP-ZLDLUXBVSA-N 336.819 2.817 30 50 EFEA C=C(C)CN(C)C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NC=O 241837520 SKTVZCNBLNIKQV-CQSZACIVSA-N 329.227 2.685 30 50 EFEA C=CCn1c(SCCc2cccc(C)n2)nnc1C1CCNCC1 426390032 ZYWXMFCRGGTBDH-UHFFFAOYSA-N 343.500 2.969 30 50 EFEA O=C(/C=C/c1cn(C[C@H]2CCOC2)nn1)C(F)(F)c1ccccc1 864097020 ITRFXGMMCCXOSR-KTRBRXNASA-N 333.338 2.689 30 50 EFEA C#CCCC1(CCC(=O)Nc2ccc(C(N)=O)cc2OC(C)C)N=N1 2325894698 ISMHUECYEFRONX-UHFFFAOYSA-N 342.399 2.867 30 50 EFEA C=CCn1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21 101892980 XLWQJNOLXOZJFU-OTIOQCEHSA-N 345.402 2.968 30 50 EFEA CN(C)[C@@H](C/N=C(/O)N1CCC(c2cc[nH]n2)CC1)c1ccsc1 329290920 NHLDNEPGYPIVHY-INIZCTEOSA-N 347.488 2.868 30 50 EFEA N#Cc1c(-c2cnc(N3CCCCC3)nc2)cc(-c2ccc[nH]2)nc1N 71523609 LABBOOVMYUJMTM-UHFFFAOYSA-N 345.410 2.978 30 50 EFEA COC[C@H]1CCCCN(C(=O)CCc2c(C)nn(CCC#N)c2C)C1 375146096 XQYJYLBESUCQGI-KRWDZBQOSA-N 346.475 2.621 30 50 EFEA CC#CC(=O)N1CCC[C@H]1c1ccc(I)cc1 283232287 OYUSXSSRMOUABV-ZDUSSCGKSA-N 339.176 2.978 30 50 EFEA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C[C@@H](C#N)CCC#N 275440625 HKGLHUHIGCGIDW-PMPSAXMXSA-N 349.479 2.739 30 50 EFEA N#Cc1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)nn2)c1 170605026 UIZUGAVXHMLNQT-UHFFFAOYSA-N 336.376 2.816 30 50 EFEA OCC#CCSc1nnc(-c2ccc(Br)cc2)o1 2479149 PWXYKZFKKADRQQ-UHFFFAOYSA-N 325.187 2.587 30 50 EFEA CSc1nc(N)nc(S[C@H](C(=O)O)c2ccccc2)c1C#N 2863429 VBPMSIIUVIYRTF-JTQLQIEISA-N 332.410 2.570 30 50 EFEA COc1cccc(N2C[C@H](C(=O)Nc3ccc(C#N)cc3)CC2=O)c1 8247841 FIXPDYDOTOGFLH-CQSZACIVSA-N 335.363 2.558 30 50 EFEA CCC1(CC)[C@@H](OC)C[C@H]1/N=C(/O)N=c1ccc(C(F)(F)F)n[nH]1 329931416 IERPRBMFJUSVFB-MNOVXSKESA-N 346.353 2.837 30 50 EFEA CCN(CC(=O)O)C1CC(/N=C(/O)[C@@H]2CSc3ccccc32)C1 328623650 CAMOKXJFALGEAV-ORHYLEIMSA-N 334.441 2.770 30 50 EFEA C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F 132241977 IOFZMLGJYQJPMQ-MRVPVSSYSA-N 331.269 2.544 30 50 EFEA Cn1cc([C@@H]2CCCN2C(O)=Nc2c[nH]nc2-c2nccs2)cn1 328597663 IOLAIQZEBVXTKO-LBPRGKRZSA-N 343.416 2.649 30 50 EFEA N#Cc1cccnc1N1CCCN(Cc2ccccc2)CCOCC1 952993533 OKPKRAXXWBURKT-UHFFFAOYSA-N 336.439 2.682 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)COc2cc(C)cc(C)c2C)cc1 3906096 CAEYAWGMILAXMQ-UHFFFAOYSA-N 342.395 2.863 30 50 EFEA CN1CCC(Oc2ccc(CNC(=O)C3(C#N)CCCC3)cc2)CC1 252496452 PITNDQXAJIBQOO-UHFFFAOYSA-N 341.455 2.860 30 50 EFEA COC(=O)c1cc(N=C(O)N2CCC[C@@H](C(=N)O)C2)cc(C)c1C 330545996 PLXLEGJLDMBYIO-GFCCVEGCSA-N 333.388 2.883 30 50 EFEA N#Cc1cccnc1N1CCC(Oc2ccccc2F)(C(=O)O)CC1 72448018 MJRATAOAZKEATI-UHFFFAOYSA-N 341.342 2.595 30 50 EFEA C#CCOc1cc([C@@H]2CC(=O)Nc3c2cnn3C(C)C)ccc1OC 72115578 NQIPVYIUBKJMIC-AWEZNQCLSA-N 339.395 2.959 30 50 EFEA CCOc1cc(C=NN2CCN(Cc3ccccc3)CC2)ccc1O 244594245 DJFJAVMDRWMJLC-UHFFFAOYSA-N 339.439 2.943 30 50 EFEA CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CC1 245289938 GFKRJPYJODACSO-LESCRADOSA-N 347.409 2.761 30 50 EFEA C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC=C)cc1 4560166 JLJATCDULXJKME-INIZCTEOSA-N 328.368 2.609 30 50 EFEA COc1ccccc1[C@H](C#N)NC(=O)C(F)(F)c1ncccc1C 225604511 JMCGWIIBDBEIJD-ZDUSSCGKSA-N 331.322 2.872 30 50 EFEA CCn1ccnc1[C@H](NC(=O)c1ccc(C#N)cc1)C1CCOCC1 286767296 IKMFCSFFYLXQPT-QGZVFWFLSA-N 338.411 2.672 30 50 EFEA N#Cc1cc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c[nH]1 181333733 AZNZNEKDEDNYTB-AWEZNQCLSA-N 348.406 2.643 30 50 EFEA N#Cc1ccc(CN2CCN3[C@H](COC[C@H]3c3ccccc3)C2)cc1 1615700963 KAKXEYBVJPINOZ-SFTDATJTSA-N 333.435 2.816 30 50 EFEA Cc1nc(C2=C(N)N(c3ccc(N(C)C)cc3)CC2=O)sc1C 13730047 GKBTVGRDBWVONE-UHFFFAOYSA-N 328.441 2.543 30 50 EFEA N#Cc1ccc(OCc2nnc([C@H]3C[C@@H](N)C3)n2C2CC2)cc1Cl 222815096 RKHBTNXHEFJESV-HAQNSBGRSA-N 343.818 2.922 30 50 EFEA Cc1cc(F)ccc1C1CCN(/C(O)=N/C[C@H]2COCCO2)CC1 330185093 IWUXEGYOOJYDPU-INIZCTEOSA-N 336.407 2.643 30 50 EFEA CCOc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC(C)C 170004417 HZGXTXBAHPUCJO-UHFFFAOYSA-N 333.237 2.523 30 50 EFEA CC(C)(C)O/C(O)=N/CCC(=O)Nc1ccc2oc(CO)cc2c1 328592363 DYJQXHNHFQFLNB-UHFFFAOYSA-N 334.372 2.983 30 50 EFEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/N=C(/O)CCc1cccnc1 328611827 MTOYGFGKVYHDTE-YJBOKZPZSA-N 328.416 2.851 30 50 EFEA CCOc1ccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)cn1 71745503 XOOYADPNFXEXNL-SWLSCSKDSA-N 335.411 2.688 30 50 EFEA N#Cc1ccc2ncc(CN[C@H]3CCN(c4ccccc4F)C3)n2c1 366551764 ABZJQICHJPWWQW-HNNXBMFYSA-N 335.386 2.714 30 50 EFEA C/N=C1/S[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1C 13153489 RQNSMEBTBJWQAR-LNLNWCRDSA-N 345.346 2.594 30 50 EFEA COc1ccc(CN[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1C#N 998423831 SVYYOXJVHLCUSK-LJQANCHMSA-N 349.434 2.961 30 50 EFEA N#C[C@H]1CSCCN1C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 271761062 VNVUMXKMSSPQHT-NSHDSACASA-N 345.302 2.695 30 50 EFEA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@@H](CC#N)c1ccccc1 408514268 SDACAFWPBIBADE-LSDHHAIUSA-N 329.400 2.767 30 50 EFEA Cc1cnc(/C(O)=N/[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)cn1 331008820 UKZWELOBHLWHGY-LBPRGKRZSA-N 327.310 2.744 30 50 EFEA C=C(C)Cn1c(SCC(=O)O)nnc1-c1ccc([N+](=O)[O-])cc1 2834455 BVHKEBYIBWWWRD-UHFFFAOYSA-N 334.357 2.606 30 50 EFEA N/C(=N\OC(=O)COc1ccccc1)c1ccc(Br)cc1 4170130 GCNMYQYJFPILED-UHFFFAOYSA-N 349.184 2.692 30 50 EFEA C=CCn1ncc(CN2CCC(O)(c3ccc(C)cn3)CC2)c1C 67935367 GKSLJRYNZUGZGB-UHFFFAOYSA-N 326.444 2.565 30 50 EFEA C[C@H](N/C=C1\C(=O)N/C(=C\c2ccc(O)cc2)C1=O)c1ccccc1 110312294 AFXGWBWKUMEFTC-NPQVEVFTSA-N 334.375 2.667 30 50 EFEA N#Cc1ccnc(N2CCC[C@](CO)(Cc3ccccc3F)C2)c1 67754451 NAKKMVNKZDSXIT-IBGZPJMESA-N 325.387 2.914 30 50 EFEA C=C(C)Cn1c(-c2ccccn2)nnc1N1CCOCC2(CC2)C1 328595997 MSOZQCWRXMHEOZ-UHFFFAOYSA-N 325.416 2.533 30 50 EFEA CCn1ncnc1C/N=C(/O)N1CCC[C@H]1/C=C/c1ccccc1 328588298 BESCVXYFUMGOPY-OFAQMXQXSA-N 325.416 2.890 30 50 EFEA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2ccc(C#N)s2)cn1 328629241 IASMXBLCVBFGMK-ZBFHGGJFSA-N 329.429 2.786 30 50 EFEA Cc1noc([C@H]2OCC[C@H]2CNc2nc(C)c(C#N)cc2Cl)n1 888078726 QIVLYQHRHVJUDP-GWCFXTLKSA-N 333.779 2.796 30 50 EFEA CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCOCCO 4622612 NFPMSXJVCXCBBL-UHFFFAOYSA-N 338.411 2.651 30 50 EFEA C=CCSc1nnc(-c2cc(Br)ccc2N)c(O)n1 8581590 GDUOFAUMXWOTRA-UHFFFAOYSA-N 339.218 2.867 30 50 EFEA C/N=C(/O)N=C(O)CNc1cnn(-c2cccc(C(F)(F)F)c2)c1 328593685 XHEYOVFZRCEICQ-UHFFFAOYSA-N 341.293 2.803 30 50 EFEA C=CCN1CCN(C(=O)c2ccccc2C(F)(F)F)CCC1=O 299766060 BIDNGJHYNUDOJJ-UHFFFAOYSA-N 326.318 2.566 30 50 EFEA COc1ccc(OC)c(CCCNC(=O)N2CCC(C)(C#N)CC2)c1 272626427 YCVBPNUPSRSQAR-UHFFFAOYSA-N 345.443 2.972 30 50 EFEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1cc(C#N)ccc1F 275260385 HWRCTCIYDHYFOC-WMZOPIPTSA-N 328.391 2.668 30 50 EFEA Cc1n[nH]c([C@H]2CN(c3ccc(C#N)cc3C(F)(F)F)CCO2)n1 170023813 NYIFMANLEVABMV-CYBMUJFWSA-N 337.305 2.582 30 50 EFEA Cc1ncc(CN2CCN(Cc3ccc(F)c(C#N)c3)CC2)s1 120007134 FRPVKOOAECNMRI-UHFFFAOYSA-N 330.432 2.780 30 50 EFEA Cc1cc(C)c(C#N)c(N2CCC3(CCC(=O)N(C)CC3)CC2)n1 67787534 UWLSUIAMIBUGIZ-UHFFFAOYSA-N 326.444 2.799 30 50 EFEA N#Cc1cnc(N2CCNC(=O)[C@H]2CC2CCCCC2)c(Cl)c1 333887443 WFGRPOWLQDKTJW-OAHLLOKOSA-N 332.835 2.882 30 50 EFEA CCOc1ccc(N/C(N)=N\c2nc(-c3ccccc3)cc(=O)[nH]2)cc1 8574842 WPORCTVUFPKSKE-UHFFFAOYSA-N 349.394 2.894 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1F 25694913 KTOOEGIFGWWUON-INIZCTEOSA-N 344.386 2.998 30 50 EFEA CC(C)c1noc([C@H](/N=C(/O)CN(C)C(C)C)C2CCOCC2)n1 328612926 QCVUULHAOFFLRV-OAHLLOKOSA-N 338.452 2.957 30 50 EFEA Cc1ccncc1N=C(O)N1CC[C@H](CN(C)Cc2cccnc2)C1 328648018 UGKAAOOSSYVVNL-QGZVFWFLSA-N 339.443 2.784 30 50 EFEA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2/N=C(/O)[C@@H]2CCCS2)nn1 328606471 RQEWKKZVAITCQX-XQQFMLRXSA-N 338.477 2.841 30 50 EFEA CN1C(=O)CC[C@@H]1/C(O)=N/[C@]1(Cc2ccc(Cl)cc2)CCOC1 328718587 PXPPFODCQZTTCK-PBHICJAKSA-N 336.819 2.619 30 50 EFEA Cn1ccnc1N1CCC(/N=C(/O)c2ccnc(C3CC3)c2)CC1 328787816 XGTPFSHGIWCXSH-UHFFFAOYSA-N 325.416 2.666 30 50 EFEA O=S1(=O)CCC[C@H](/N=C(/O)N2CCCC3(CCCCC3)CC2)C1 329825927 CDRRQOFEXACPNA-HNNXBMFYSA-N 342.505 2.914 30 50 EFEA Cc1cccc2oc(CCNC(=O)C#Cc3ccc4c(c3)OCO4)nc12 408513165 DYTUCPYNVWKRCL-UHFFFAOYSA-N 348.358 2.575 30 50 EFEA C=CCN1C(=O)[C@](O)(CC(=O)c2ccccn2)c2cc(Cl)ccc21 5272621 QWDJUPRVDFLZQA-SFHVURJKSA-N 342.782 2.728 30 50 EFEA O=C1N/C(=N\c2ccc(O)cc2)S/C1=C1\C(=O)Nc2ccccc21 13126789 MHLJDVDSEAUVCD-YPKPFQOOSA-N 337.360 2.606 30 50 EFEA CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)O)nc1 914517178 FQIYDBHESDWOTE-UHFFFAOYSA-N 337.379 2.950 30 50 EFEA C=CCN1C(=O)[C@@](O)(CC(=O)c2cccc(OC)c2)c2ccccc21 315915 GVAOPXAUDVMANP-HXUWFJFHSA-N 337.375 2.688 30 50 EFEA Cc1nc(C)c(N/C(O)=N/[C@@H]2CCO[C@H](c3cncn3C)C2)s1 328618533 DVCVTNDQNHMZGD-YPMHNXCESA-N 335.433 2.740 30 50 EFEA CCn1cc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)cc1C#N 71763703 ILNQQZNDNHXTAN-UHFFFAOYSA-N 331.383 2.903 30 50 EFEA CCOC1CC2(CCN(Cc3nnc(-c4cccc(C#N)c4)o3)C2)C1 329052404 AAXAITNZTKJHSE-UHFFFAOYSA-N 338.411 2.999 30 50 EFEA Cn1cc(C#N)cc1C(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 377561241 IFADKSBIGOTFRM-AWEZNQCLSA-N 339.399 2.915 30 50 EFEA N#Cc1ccc(N2CCC[C@H](N3CC[C@H]4OCCC[C@H]4C3)C2=O)cc1 245513660 APDCWCWSQIUAHT-YTQUADARSA-N 339.439 2.555 30 50 EFEA C=CCc1cc(CN2CCC[C@H]2C(=O)NC)cc(OCC)c1OC 823358252 WMWQPWSMXRHVDT-INIZCTEOSA-N 332.444 2.533 30 50 EFEA C=CCn1cc(CN2CC[C@H](c3cccc(OC)c3)[C@@H](O)C2)c(C)n1 1565506672 ONBRFIBNJFNSDT-UXHICEINSA-N 341.455 2.737 30 50 EFEA Cc1noc([C@H](/N=C(/O)c2ccc3nc[nH]c3c2)C2CCOCC2)n1 328628152 NKIDHPVBMOGKAB-OAHLLOKOSA-N 341.371 2.727 30 50 EFEA CC(C)c1cc(CN(C)C(=O)c2ccc(C#CC(C)(C)O)o2)on1 65393367 RRXUGCYPEMOAJT-UHFFFAOYSA-N 330.384 2.786 30 50 EFEA CN(Cc1cc(C#N)cs1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328629422 IESBZYBJLCHUSN-MAUKXSAKSA-N 343.500 2.868 30 50 EFEA Cc1nc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)[C@H]2CCCOC2)cs1 328653152 WTUKTGXWSAHQBN-YDHLFZDLSA-N 341.452 2.747 30 50 EFEA N#Cc1ccccc1C(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 72163453 DVSINIXDTSBOSP-FQEVSTJZSA-N 345.446 2.874 30 50 EFEA N#Cc1ccc(OC2CCN(C(=O)Nc3ccnnc3)CC2)c(F)c1 297419368 NHXLMJHRGMWZEX-UHFFFAOYSA-N 341.346 2.563 30 50 EFEA N#CC1(C(=O)NCCc2nc(-c3ccccc3)cs2)CCOCC1 299779203 QHWHAWCDVDNFIS-UHFFFAOYSA-N 341.436 2.789 30 50 EFEA N#Cc1cc2n(n1)CCCN(Cc1c[nH]nc1-c1cccc(F)c1)C2 826805596 HIXSHARWZAPOJB-UHFFFAOYSA-N 336.374 2.690 30 50 EFEA N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@]2(CNC(=O)C2)C1 279588704 UCIQXXZIUXQZRY-NRFANRHFSA-N 345.402 2.577 30 50 EFEA CN1CCCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1=O 189806845 GODJSMPZLWIEEM-UHFFFAOYSA-N 333.391 2.530 30 50 EFEA Cc1c(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)nnn1-c1ccccc1 918486795 FWCYDTOXGCXJAR-MRXNPFEDSA-N 345.362 2.537 30 50 EFEA CN1C(=S)S[C@](C)(/[N+]([O-])=C/c2ccc([N+](=O)[O-])cc2)C1(C)C 3664149 XMENNPMGTNCEDS-CIKBWMHTSA-N 339.442 2.982 30 50 EFEA N#Cc1cccc(CC/N=C(/O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 328588061 OGIJSRABYUNAKO-PKOBYXMFSA-N 327.428 2.642 30 50 EFEA COc1cc(C#N)ccc1OCCN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 281578159 ZPQKAIHIFMIOJY-KSZLIROESA-N 344.455 2.961 30 50 EFEA CC(C)c1ncncc1/C(O)=N/C[C@H]1CCN(CC(F)(F)F)C1 330455921 XIMIQDQSPAQQAR-LLVKDONJSA-N 330.354 2.789 30 50 EFEA N#Cc1ccc(C(F)(F)F)nc1N1CC(O)(c2ccc(F)cc2)C1 253429043 OJAPDCQGUCIORZ-UHFFFAOYSA-N 337.276 2.819 30 50 EFEA C=CCOc1ccccc1CN1CCN(CC(C)C)[C@@H](CCO)C1 19790955 ITDTVNOGAXKMDY-IBGZPJMESA-N 332.488 2.776 30 50 EFEA C[C@H]1C[C@@]1(C#N)C(=O)N1CC(C)(c2nnc(-c3ccccc3F)o2)C1 952893174 SNRDIIQEAWSMPR-VOJFVSQTSA-N 340.358 2.525 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2CCN(c3cccc(OC)c3)C2)N=N1 952883314 YTQWSOOYQUXMAH-HNNXBMFYSA-N 340.427 2.746 30 50 EFEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2cccc(C#N)c2F)C1 888102932 VYMVCSOILJSDLR-CVEARBPZSA-N 328.391 2.999 30 50 EFEA C=C(C)C[C@@H]1N(c2cccc(C)c2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 239306066 GJPFCLSDILVNOY-QOSLBHJFSA-N 339.391 2.701 30 50 EFEA N#Cc1ccccc1C(=O)N1CCCN(C(=O)C2CCCCC2)CC1 1772713000 YIQLKEYQRWAVSD-UHFFFAOYSA-N 339.439 2.813 30 50 EFEA C[C@H]1CC(=O)N[C@@H](C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)C1 870194993 GODARZWEUFGLKU-UBHAPETDSA-N 331.372 2.526 30 50 EFEA C=CCC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 252479681 BJUGWCWGMFUUTH-QGZVFWFLSA-N 344.436 2.771 30 50 EFEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1c(C)nn(C(F)F)c1C 281501275 QPXPKSMDZDJJSG-SWLSCSKDSA-N 327.375 2.535 30 50 EFEA N#Cc1cnc(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cn1 121535453 HZIYCWFCLBGLHY-UHFFFAOYSA-N 348.332 2.843 30 50 EFEA N#CCSCC(=O)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 155923618 JJDCHBOHIAGWOA-ROUUACIJSA-N 343.496 2.756 30 50 EFEA C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3C)cc1OCC 72119440 DMTZYTPMIGVOJS-AWEZNQCLSA-N 339.395 2.613 30 50 EFEA COC[C@@H]1C[C@H](OC)CN1Cc1ccc(C#N)cc1Br 284699472 QNVKWTZQGXXDAX-KBPBESRZSA-N 339.233 2.556 30 50 EFEA Cc1nc(N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)ccc1C#N 685940750 HNZVLOYWIZJICA-CVEARBPZSA-N 334.427 2.887 30 50 EFEA C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1cncc(C#N)n1)C2 707889741 PQLZGZHUNSTUFD-WOJBJXKFSA-N 333.439 2.697 30 50 EFEA O=C1c2cccc3cccc(c23)C(=O)N1/N=C/c1ccc(O)cc1O 454110 ZYQASNIFBHUEQK-KEBDBYFISA-N 332.315 2.881 30 50 EFEA C#CCCC1(CCC(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)N=N1 952881841 QHGZNPAQKOLLHZ-NSHDSACASA-N 331.338 2.910 30 50 EFEA Cc1c(C(=O)NCC2(C#N)CCOCC2)cc(Cl)nc1Cl 1875369274 DXUUHZVDRAXKRV-UHFFFAOYSA-N 328.199 2.747 30 50 EFEA N#Cc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(F)c1 107193 VDMRAPDNJHEWCU-UHFFFAOYSA-N 327.334 2.799 30 50 EFEA C=CCN1C(=O)[C@](O)(CC(=O)c2c(C)coc2C)c2ccccc21 528601 VNSOHWBZTKONGW-IBGZPJMESA-N 325.364 2.890 30 50 EFEA N#CC1(CCCN(CCC2CCCCC2)CC(N)=O)CCOCC1 225626832 MMSDGYIIZZGRAD-UHFFFAOYSA-N 335.492 2.845 30 50 EFEA Cc1ccccc1-c1noc(C)c1/C(O)=N/[C@@H]1CCCS(=O)(=O)C1 330017776 RSKCFJOBWJRWPE-CYBMUJFWSA-N 348.424 2.840 30 50 EFEA C#CCCCNC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 241135422 JPEXSNBYGPLMGS-JKSUJKDBSA-N 338.373 2.827 30 50 EFEA COc1ccc(CN2CCOC[C@@H]2[C@H]2CCC[C@H]2OC)cc1C#N 284757105 WBTKHAVBPDDWRL-ZHALLVOQSA-N 330.428 2.583 30 50 EFEA N#Cc1c[nH]c(C(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)c1 426533848 ASXKOWIUEBETQP-UHFFFAOYSA-N 337.358 2.922 30 50 EFEA N#Cc1cccnc1N1CCC(c2nccn2Cc2cccnc2)CC1 95512024 ZGVKNLBFKHASIM-UHFFFAOYSA-N 344.422 2.977 30 50 EFEA CCc1nnc(Oc2cccc(S(C)(=O)=O)c2)c(C#N)c1CC 268174782 RGMCEGWEAQRKDJ-UHFFFAOYSA-N 331.397 2.669 30 50 EFEA C/N=C(/O)[C@@H]1CN(Cc2ccc(N3CCCCC3)c(C)c2)CCO1 328597965 JQSYPUDZVTVFGG-SFHVURJKSA-N 331.460 2.772 30 50 EFEA CSc1nc(NCCOC(C)=O)c(C#N)c(-c2ccccc2)n1 8844201 XODUWERSHYIRKM-UHFFFAOYSA-N 328.397 2.712 30 50 EFEA C[C@H]1CN([C@H](CNc2cccc(C#N)n2)c2cccs2)CCO1 246706829 FLDZNSGEBVDMSW-DZGCQCFKSA-N 328.441 2.889 30 50 EFEA CC(C)(O)C#Cc1ccc(CN2CCC[C@@H](N3CCCC3)C2)cc1 20995519 NWTNXDLQWGOYSI-HXUWFJFHSA-N 326.484 2.869 30 50 EFEA Cc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1/C(O)=N/Cc1ncnn1C 328606716 SNUQWDNJBOURLL-KSSFIOAISA-N 326.400 2.629 30 50 EFEA N#Cc1nccn1CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 239653700 BKURFHFXYWGBSQ-LJQANCHMSA-N 342.402 2.929 30 50 EFEA COc1ccc([C@@H](Nc2cc(C)c(C#N)c(C)n2)[C@H]2C[C@H](O)C2)cn1 244900283 ZZFMDSWTIWYINA-SPYBWZPUSA-N 338.411 2.898 30 50 EFEA O=C(N[C@@H](CS)C(=O)O)OCC1c2ccccc2-c2ccccc21 74921885 RMTDKXQYAKLQKF-INIZCTEOSA-N 343.404 2.908 30 50 EFEA in-vitro CN1CCN(CC#CCC2(O)c3ccccc3-c3ccccc32)CC1 19371917 GUBKVNXOWWJJLD-UHFFFAOYSA-N 332.447 2.544 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OC)c1 19535631 KCZYRPKBIWYGGW-QGZVFWFLSA-N 343.379 2.542 30 50 EFEA biogenic,in-vitro C=CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1 4366431 ZJOVIXVZJBQQNM-QGOAFFKASA-N 330.409 2.872 30 50 EFEA Cn1c(-c2ccccc2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 800726629 QWHDIPPKOMEITD-SFHVURJKSA-N 345.406 2.932 30 50 EFEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(C#N)nc1 55198533 AARXHRAXFDSEFT-UHFFFAOYSA-N 345.362 2.832 30 50 EFEA CN(Cc1ccc(C#N)o1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 328631556 KQCGYLYRVUOIIJ-STQMWFEESA-N 334.420 2.652 30 50 EFEA C=CCN1C[C@@H](C(=O)NCc2ccc(-c3ccccc3)o2)CCC1=O 221431792 WOIHNPNCATXNHB-INIZCTEOSA-N 338.407 2.987 30 50 EFEA N#Cc1nc(-c2ccc(Br)o2)oc1N1CCC(O)CC1 227154928 UUBQVMFRENCXHN-UHFFFAOYSA-N 338.161 2.530 30 50 EFEA N#Cc1cccc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)n1 91693845 WXQFWLSZWLWBCR-QGZVFWFLSA-N 344.422 2.977 30 50 EFEA O=C1[C@H]2[C@H]3C4(CC4)[C@H]([C@H]2C(=O)N1c1ccccc1)[C@@]12O[C@@]31[C@H]1C=C[C@H]2C1 257355529 BCAKWYYCESHKQZ-MFDYGFJESA-N 345.398 2.546 30 50 EFEA CC1(C)OB([C@@H]2CCN(C(=O)N3CCC[C@@H](CC#N)C3)C2)OC1(C)C 1875366749 KZGPEQYTFMMLCM-LSDHHAIUSA-N 347.268 2.900 30 50 EFEA N#Cc1c(NC(=O)CCCn2cc([N+](=O)[O-])cn2)sc2c1CCC2 1423523 QPBJGAHIRNZRFG-UHFFFAOYSA-N 345.384 2.632 30 50 EFEA C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccccc1 182978 XNQQMIFWOOPLLU-UHFFFAOYSA-N 331.393 2.855 30 50 EFEA CC[C@@H]1CCCCN1CC(=O)Nc1cc(OC)c(OC)cc1C#N 1422842 OCHXPQKQVKPAAL-CQSZACIVSA-N 331.416 2.778 30 50 EFEA Cc1ccccc1C(=O)NCC(=O)N[C@@H](C#N)c1cccc(Cl)c1 154782323 BNDALPPWADFJMM-INIZCTEOSA-N 341.798 2.759 30 50 EFEA N#Cc1ccc(-c2nnc(CN3C[C@H](CO)Cc4ccccc43)o2)cc1 366428801 DMZJCNWMIJPGND-OAHLLOKOSA-N 346.390 2.779 30 50 EFEA CCCCOc1ccc(CON=Cc2c(C)nc(O)nc2O)cc1 253532974 NWECFJNREIYCFD-UHFFFAOYSA-N 331.372 2.926 30 50 EFEA COc1ccc(-c2nnc(S)n2N=Cc2ccc(O)cc2)cc1 252429319 BZNVVDOHNVVNMT-UHFFFAOYSA-N 326.381 2.830 30 50 EFEA CC(=O)N[C@H]1CN(c2nc(C)cc(C)c2C#N)C[C@@H]1c1ccc(C)o1 1565509089 SMUUPUROMGVCIS-IRXDYDNUSA-N 338.411 2.580 30 50 EFEA Cc1noc(C)c1CN1CCN(c2ncc(C#N)cc2Cl)CC1 263810299 TXILGXLVBRJGRR-UHFFFAOYSA-N 331.807 2.534 30 50 EFEA C#CCCC1(CCC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)N=N1 952882203 SLVJHDWIAXZDGM-UHFFFAOYSA-N 325.372 2.958 30 50 EFEA CN1C(=O)C[C@@H](C(=O)O)S/C1=N/c1cccc(C(F)(F)F)c1 12417091 YFUCTAGBQAOWKN-NXVNHVPESA-N 332.303 2.741 30 50 EFEA CN1C[C@H](/N=C(\c2ccccc2Cl)c2nccn2C)CCC1=O 225513366 RWYBQNQZYMOLFP-SPYINAPQSA-N 330.819 2.532 30 50 EFEA CCN1CCC[C@@H](CN(C)Cc2ccc(C#N)o2)[C@@H]1c1cnn(C)c1 328647251 TWBYOUDNHSSMQA-HNAYVOBHSA-N 341.459 2.790 30 50 EFEA C=CC[C@H](C)CC(=O)N1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 216540948 GJPHJERWEXSWHZ-CFAJVAMVSA-N 325.474 2.956 30 50 EFEA N#Cc1ccc(Cl)c(C(=O)Nc2cccc3c2OCC(=O)N3)c1 378028071 RLULKYHPRSAIRJ-UHFFFAOYSA-N 327.727 2.795 30 50 EFEA CN1CCC[C@H]1CCNC(=O)c1cccc(-c2cccc(C#N)n2)c1 426392747 IARTVZLFXWCBCV-SFHVURJKSA-N 334.423 2.834 30 50 EFEA N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)c1 162366270 XFILODQQWDZDAX-LLVKDONJSA-N 347.325 2.562 30 50 EFEA OCC#Cc1csc(CN2CCCC[C@@H]2CCn2cccn2)c1 828644569 FNPQMHNWNSSIMW-QGZVFWFLSA-N 329.469 2.733 30 50 EFEA CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)CC#N)C1 408520059 WMCYEZSBMDVGBB-GJZGRUSLSA-N 335.448 2.928 30 50 EFEA NC(=S)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2542468 JNIPRBRAPHGYIH-GIJQJNRQSA-N 333.800 2.726 30 50 EFEA Cc1nc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)[C@@H]2CCCOC2)cs1 328653151 WTUKTGXWSAHQBN-IPYPFGDCSA-N 341.452 2.747 30 50 EFEA CC(=O)NC[C@H]1CCCN(Cc2ncc(-c3ccc(C#N)cc3)o2)C1 159732896 LYGNBGXZRAORBE-MRXNPFEDSA-N 338.411 2.561 30 50 EFEA Cc1nc(C2CC2)oc1C(=O)[C@H](C#N)c1nnc2n1CCCCC2 241586448 OWBZNBODASMTCA-LBPRGKRZSA-N 325.372 2.668 30 50 EFEA C#CCCC1(CCNC(=O)[C@H]2CCCc3cn(C(C)C)nc32)N=N1 2325900019 IFAPSUFYZBECNS-HNNXBMFYSA-N 327.432 2.966 30 50 EFEA C=CCN1CC[C@H](N(C)C(=O)c2cc3c(s2)CC[C@@H](C)C3)C1=O 225594811 JUYNFOVSXSOTMC-OCCSQVGLSA-N 332.469 2.732 30 50 EFEA N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)CC[C@H]1CCCO1 252487143 SMZCDDMTOJBZRA-KZNAEPCWSA-N 348.468 2.657 30 50 EFEA N#Cc1cccc(/C(O)=N/C[C@@H]2C[C@H](F)CN2Cc2nccs2)c1 328627690 GMSSROJBTJXOQR-GJZGRUSLSA-N 344.415 2.932 30 50 EFEA C#CCOc1ccccc1NC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 188088214 XMGUJJPUOVKKBB-RDTXWAMCSA-N 346.452 2.875 30 50 EFEA C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 191273955 IBWZMJCTANIMOQ-KSSFIOAISA-N 328.412 2.743 30 50 EFEA COc1cc(/C=N/n2cnnc2)c([N+](=O)[O-])cc1OCCC(C)C 445281 YYKZWJGIXNANOZ-QGMBQPNBSA-N 333.348 2.502 30 50 EFEA C=CCNC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 192087111 FYONQJIRNBDILG-COLVAYQJSA-N 326.799 2.589 30 50 EFEA CCOC(=O)c1cn(Cc2csc([C@H](C)OCC)n2)nc1C#N 1875346544 HFJLIMBGIBVAIS-JTQLQIEISA-N 334.401 2.534 30 50 EFEA C=C(CNC(=O)N1CCOC[C@H]1CC1CCOCC1)c1ccccc1 894852277 VCLLLIUAQOWQSR-LJQANCHMSA-N 344.455 2.927 30 50 EFEA CC(C)c1ncncc1/C(O)=N/C[C@@H]1CCN(CC(F)(F)F)C1 330455922 XIMIQDQSPAQQAR-NSHDSACASA-N 330.354 2.789 30 50 EFEA CC1CCN(C(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 218493528 JYQIZZXYUACBMQ-UHFFFAOYSA-N 329.249 2.858 30 50 EFEA Cc1ccc([N+](=O)[O-])c(N2CCCN(c3ccccc3C#N)CC2)n1 178172407 IPRPPYRBMNPEAR-UHFFFAOYSA-N 337.383 2.887 30 50 EFEA Cc1ncsc1CN(C)C[C@H]1CCN(c2ccc(C#N)cn2)C1 190445445 BLRDISBWOXPGDS-OAHLLOKOSA-N 327.457 2.677 30 50 EFEA C#CCCC1(CCC(=O)Nc2ccc(F)c(N3CCOCC3)c2)N=N1 952882374 VEJGHFAAICFAPC-UHFFFAOYSA-N 344.390 2.957 30 50 EFEA O=C1C=Cc2ccccc2/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 113691947 JABZBOSSCDRKEA-VLGSPTGOSA-N 338.279 2.915 30 50 EFEA CCN(Cc1noc(CC(C)C)n1)Cc1cc(C#CCO)cs1 55042359 VMBPHIYCIHVPFS-UHFFFAOYSA-N 333.457 2.696 30 50 EFEA CCOC(=O)CCCOc1cccc(B2OC(C)(C)C(C)(C)O2)c1 196315721 SWDLWVRPAGZQLZ-UHFFFAOYSA-N 334.221 2.708 30 50 EFEA C#CCCC1(CCC(=O)Nc2nc(C3(C(=O)OC)CC3)cs2)N=N1 2325894965 BWHVDDGIRVHJBA-UHFFFAOYSA-N 346.412 2.642 30 50 EFEA C=CCN(CC)C(=O)c1cc(I)ccc1O 231329143 NUEVRHSOHFERBF-UHFFFAOYSA-N 331.153 2.645 30 50 EFEA Cc1cnn(C[C@H]2CN(c3ccc4cc(C#N)ccc4n3)CCO2)c1 161973766 WXYUZDGSOFWBSS-QGZVFWFLSA-N 333.395 2.517 30 50 EFEA CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@](C)(O)[C@@H](O)CO 230509014 SVSBMWDRQDUELL-BEUFEYIVSA-N 338.488 2.849 30 50 EFEA C=CCCC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 408520665 RCJSNFKPAXNVIV-GFCCVEGCSA-N 344.224 2.822 30 50 EFEA COc1ccc(OC)c(/C=N/n2c(S)nnc2-c2ccccn2)c1 5910568 GAVXYIXJHGZION-VCHYOVAHSA-N 341.396 2.528 30 50 EFEA O=C1C[C@@H](C(O)=Nc2ccccc2-c2nc[nH]n2)CN1C1CCCC1 328586470 XBMQBTAEJQZVRJ-GFCCVEGCSA-N 339.399 2.851 30 50 EFEA CC1(C)CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CN(c3ccncc3C#N)C[C@@H]21 1875338838 NKSZCILUQXSHHF-XLNGHYISSA-N 338.455 2.720 30 50 EFEA C#CCCC1(CCC(=O)N2CCN[C@H](c3ccccc3F)C2)N=N1 2325892290 IBVDXJMQSYXVSF-INIZCTEOSA-N 328.391 2.654 30 50 EFEA C#CCCC1(CCC(=O)N(C[C@@H]2C[C@H]2c2cnn(C)c2)C2CC2)N=N1 2325892917 QAVIHJSULMUVQE-WMLDXEAASA-N 339.443 2.870 30 50 EFEA CSc1nc2n(n1)[C@H](c1cccc(O)c1)C1=C(CCCC1=O)N2 4436099 UWOQAOWQOQFZCM-CQSZACIVSA-N 328.397 2.728 30 50 EFEA N#Cc1c[nH]c(C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)c1 225403916 OMXUIYKWLAXDAD-XHDPSFHLSA-N 349.312 2.853 30 50 EFEA CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O 100061481 SZINUGQCTHLQAZ-DQYPLSBCSA-N 336.391 2.828 30 50 EFEA in-vitro CC(=O)Nc1ccc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 170003129 CLMKYWZRTCGYJS-UHFFFAOYSA-N 329.127 2.963 30 50 EFEA CCOC(=O)c1cn(CC/N=C(/O)CCc2ccc(C#N)cc2)cn1 328591391 BJUDLHKSZDKOBU-UHFFFAOYSA-N 340.383 2.521 30 50 EFEA Cc1cncc(N=C(O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 328631264 QSIUDYNHJOUNRI-WMZOPIPTSA-N 339.443 2.955 30 50 EFEA CCOc1ccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)cc1 4721290 QXLDALLUSTXDEZ-HNNXBMFYSA-N 328.412 2.885 30 50 EFEA CC(C)c1n[nH]c([C@H]2CN([C@H](C)c3ccc(C#N)cc3)CCO2)n1 257366205 NJJBPSRDZCBGSH-CZUORRHYSA-N 325.416 2.934 30 50 EFEA N#CC1(NC(=O)CN2CCC[C@H](c3ccncc3)C2)CCCCC1 289443054 WROPTGXECFSUQH-KRWDZBQOSA-N 326.444 2.604 30 50 EFEA C#CCCC1(CCNC(=O)c2ccc(OC3CC3)cc2OC)N=N1 2325891051 NUSUFXRLYYCXSY-UHFFFAOYSA-N 327.384 2.932 30 50 EFEA CCO[C@@H]1OC(C)=CC2=C1C(=O)c1c(OC)cc(OC)cc1C2=O 2332918133 HFMQZTBWVTUFRS-GOSISDBHSA-N 330.336 2.676 30 50 EFEA C=CCn1cc(CNCc2cnn(-c3cccc(OC)c3)c2)c(C)n1 55358132 GHSDHXNLEYSYAD-UHFFFAOYSA-N 337.427 2.862 30 50 EFEA C=CCC[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 252479680 BJUGWCWGMFUUTH-KRWDZBQOSA-N 344.436 2.771 30 50 EFEA Cn1nccc1[C@@H]1CCCCN1/C(O)=N/CCc1cccc(C#N)c1 328588158 XBVIFOMYMQSPDY-SFHVURJKSA-N 337.427 2.975 30 50 EFEA Cc1noc([C@@H](Nc2snc(Cl)c2C#N)C2CCOCC2)n1 328609632 FIVIJNLRFOWOBG-JTQLQIEISA-N 339.808 2.939 30 50 EFEA COc1cccc(C=NN2CCN(Cc3ccccc3)CC2)c1O 238900282 IOCOXTBWILMNFL-UHFFFAOYSA-N 325.412 2.553 30 50 EFEA CN(C)Cc1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1Br 170604618 WSMUSFMUXZQHEJ-UHFFFAOYSA-N 347.216 2.963 30 50 EFEA C#CCCC1(CCC(=O)NC2CCN(Cc3ccccn3)CC2)N=N1 952879234 BZQQWJLFKJDPIQ-UHFFFAOYSA-N 339.443 2.518 30 50 EFEA C#C[C@@H](C)NC(=O)Nc1sc(CC(F)(F)F)nc1C(=O)OCC 1775993713 IBVRGDQNIZAVLI-SSDOTTSWSA-N 349.334 2.568 30 50 EFEA COc1cc2c(cc1-c1c(C#N)c(N)nc3c1CCCC3)OCCO2 67820364 MHWBQKPQDDPMNB-UHFFFAOYSA-N 337.379 2.861 30 50 EFEA Cc1ccccc1O[C@H](C)C(=O)N1CCN([C@H]2CC[C@@H](C#N)C2)CC1 331960485 QKGUIHCNAWMAMO-KURKYZTESA-N 341.455 2.599 30 50 EFEA CN(C)/C=C/C(=O)c1cc2c(cc1Br)OCCCO2 36047689 OMNCNMSIAHCYRW-SNAWJCMRSA-N 326.190 2.868 30 50 EFEA COc1c(C)cnc(CSc2nc(N)c(C#N)cc2C#N)c1C 126791537 FDOZOXCUKHAUEJ-UHFFFAOYSA-N 325.397 2.720 30 50 EFEA CCn1nc(C)c(-c2cc(-c3cnc(OC)nc3)c(C#N)c(N)n2)c1C 71715038 CEYAUVCAAQZGCD-UHFFFAOYSA-N 349.398 2.501 30 50 EFEA O=S(=O)(O)CCCN1CCS/C1=C/C=N/c1ccccc1 4013813 DMMOMOLSKPDLPY-IROCBMIISA-N 326.443 2.557 30 50 EFEA COc1ccccc1CC(=N)NOC(=O)COc1ccc(C)cc1C 5048199 ANCULTWNEUKMFR-UHFFFAOYSA-N 342.395 2.959 30 50 EFEA C=CCNc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 19939774 RAIFYJDXFIWCLH-UHFFFAOYSA-N 338.411 2.758 30 50 EFEA CC1(C)OB(c2ccc(OC(=O)N3CCCCC3)cc2)OC1(C)C 169745863 KDAWCRTUINGBQJ-UHFFFAOYSA-N 331.221 2.971 30 50 EFEA COc1ccc(COc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)cc1 169959089 CZOSHSREWDHZQR-UHFFFAOYSA-N 341.216 2.968 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H](C)c2c(OC)nsc2OC)N=N1 1875381945 LZZJPWJCGVZGOE-JTQLQIEISA-N 336.417 2.693 30 50 EFEA CCc1nnc(C[C@@H]2CC[C@H](NC(=O)c3ccc(F)c(C#N)c3)C2)o1 1775957691 IMWJTKKLBAESGE-RISCZKNCSA-N 342.374 2.784 30 50 EFEA Cc1cccc2c1OCC[C@H]2N(C)Cc1cc(O)n2ncc(C#N)c2n1 2325814068 ONOLBZNOZSLDQK-MRXNPFEDSA-N 349.394 2.571 30 50 EFEA Cc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C1=C(C[C@H](C)CC1=O)N2 9060928 LXLIRACUCZYJRS-BBATYDOGSA-N 337.427 2.921 30 50 EFEA N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)c1cnn(-c2ccccc2)c1 239667131 BOZUXYRDPMMBBI-OTWHNJEPSA-N 343.390 2.752 30 50 EFEA COC[C@@H]1C[C@H](OC)CN1Cc1cccn1Cc1ccccc1C#N 284556554 LWNULYAYANSNST-PMACEKPBSA-N 339.439 2.644 30 50 EFEA COC(=O)c1cc(/N=C/c2ccc3c(c2)OCO3)cc(C(=O)OC)c1 43761154 WEFTXQCAJLKXFS-DJKKODMXSA-N 341.319 2.739 30 50 EFEA CS[C@H]1CN(c2cc(C#N)cc([N+](=O)[O-])c2C)C[C@H]1N1CCCC1 241846639 SMLYHJGGVQEOJU-SJORKVTESA-N 346.456 2.791 30 50 EFEA CC(C)(C(=O)N1CCC(C#N)(c2ccccc2)CC1)N1CCCC1 426545367 QXBVWDDNUAYCBI-UHFFFAOYSA-N 325.456 2.945 30 50 EFEA C=CC[C@@]1(C(=O)O)CCCN(Cc2cc(C(N)=O)oc2C(C)(C)C)C1 91416921 QXXBXIKMPHJLJF-LJQANCHMSA-N 348.443 2.919 30 50 EFEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(CCC#N)CC3)nn(C)c21 1875300250 UDQWBZUBNCBXAF-OLZOCXBDSA-N 330.432 2.598 30 50 EFEA C[C@H](C#N)OC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 2332237279 WIAFUTOLPYRCTR-RBSFLKMASA-N 344.411 2.924 30 50 EFEA CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1 381139 DOZZDPBOVVTKQI-HIFRSBDPSA-N 335.787 2.803 30 50 EFEA C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(N2CCCC2)nn1 110840505 XYIQMUGZZFARDA-FQEVSTJZSA-N 349.438 2.722 30 50 EFEA C=C(C)COc1ccccc1CNC1CCN(C(=O)NCC)CC1 55182612 JFBAMANGBFJDGI-UHFFFAOYSA-N 331.460 2.925 30 50 EFEA COCc1csc(N=C(O)N2CCCC[C@@H]2c2ccnn2C)n1 328588252 MREYWJBSUHAMOU-CYBMUJFWSA-N 335.433 2.796 30 50 EFEA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 253671792 LCZBQMKVFQNSJR-URNIPBEBSA-N 346.467 2.809 30 50 EFEA OCC#Cc1csc(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1 828644541 AXCMDCIVFVATPC-GOSISDBHSA-N 331.412 2.805 30 50 EFEA N#CCN(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CC1 170622968 CMFPNXBDLVEFNW-UHFFFAOYSA-N 336.273 2.884 30 50 EFEA C=CCNC(=O)[C@@H]1CC(=O)c2sc(NC(=O)C[C@@H](C)CC)nc2C1 14987829 ZPWQSAMLONNIBB-QWRGUYRKSA-N 349.456 2.565 30 50 EFEA CC(=O)N/C(=N\c1ccc([N+](=O)[O-])cc1C)Nc1nc(C)cc(C)n1 17180076 RNAARYJWRYBBGW-UHFFFAOYSA-N 342.359 2.546 30 50 EFEA N#Cc1cnn2c(=O)nc(S[C@@H]3CCc4cc(Cl)ccc43)[nH]c12 2325873716 QUKMGNQHNDQEBI-GFCCVEGCSA-N 343.799 2.722 30 50 EFEA C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc1 4675045 KIZWNZLOORSOGF-GXDHUFHOSA-N 347.392 2.851 30 50 EFEA Cc1n[nH]c(-c2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cc2)n1 110261660 QVBKMWAIEXGKFP-UHFFFAOYSA-N 347.378 2.864 30 50 EFEA N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1cccc([C@H]2CCOC2)c1 408513709 NCGPYJPEVPSOCM-RBUKOAKNSA-N 348.402 2.829 30 50 EFEA O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 287704 KECWZZBVSLEWKP-UHFFFAOYSA-N 346.136 2.817 30 50 EFEA O=C1[C@H]2[C@H](C(=O)N1/N=C/c1cccc(Cl)c1)[C@H]1C=C[C@H]2C12CC2 105209473 GEPKDOJMRDNGAR-LPDTVVLISA-N 326.783 2.871 30 50 EFEA C=CCC(=O)NC[C@@H]1CCN(Cc2ccc(C(F)(F)F)nc2)C1 67673404 NQMRULLKQKNMSC-ZDUSSCGKSA-N 327.350 2.615 30 50 EFEA CN1CCC(Oc2ccc(N=C(O)c3ncc(F)cc3F)cn2)CC1 328596489 WCTCOKXBESRTQQ-UHFFFAOYSA-N 348.353 2.864 30 50 EFEA O/C(=N/CCc1cnc(C2CC2)nc1)N1CCCC[C@@H]1c1ncc[nH]1 328586541 ZQHPJRYFROKJFZ-OAHLLOKOSA-N 340.431 2.761 30 50 EFEA CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 331987287 UCBFEWHURHYMKH-UHOSZYNNSA-N 328.456 2.850 30 50 EFEA COc1cccc2c1C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)C2 458079747 JENMQFNYFQBYNU-INIZCTEOSA-N 335.407 2.530 30 50 EFEA C=CCN1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC)c(Cl)c1 952961102 KOELDQPUJJDTAG-HNNXBMFYSA-N 335.835 2.679 30 50 EFEA COc1cc(OCC(=O)Nc2cc(C)ccc2OC)ccc1C#N 170614885 LGSSZDVVHNOQGB-UHFFFAOYSA-N 326.352 2.901 30 50 EFEA C=CCCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 11711894 FWNNMRRARPSWQH-KRWDZBQOSA-N 338.411 2.768 30 50 EFEA C=CCN(CC=C)[C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC(C)C)C1 14731345 QPCHNMABRHAFKZ-MRXNPFEDSA-N 344.503 2.772 30 50 EFEA N#C[C@@H]1N(Cc2ncnn2-c2ccccc2)CCC[C@]12CCCCO2 240278314 DQJSTNGEAUBVDN-PKOBYXMFSA-N 337.427 2.695 30 50 EFEA CC(C)(C)OC(=O)N1CCn2c(nnc2-c2ccc(C#N)cc2)C1 952993003 ULOGFGYHXKGCMY-UHFFFAOYSA-N 325.372 2.567 30 50 EFEA Cc1nc2n(n1)[C@@H](c1ccncc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 7496452 VWGDRESWAQKHQB-UGSOOPFHSA-N 347.378 2.990 30 50 EFEA O=C1ON=C(c2cc([N+](=O)[O-])c(Cl)cc2Cl)/C1=C1\CCCN1 100355099 ZBIHIMDBNIVKLL-LUAWRHEFSA-N 342.138 2.800 30 50 EFEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc(C#N)cc1 328627135 MKTWQSVJAWNFDN-OALUTQOASA-N 334.423 2.718 30 50 EFEA CC[C@H]1CN(c2ccc(C#N)cn2)CCC(=O)N1Cc1ccccc1 71771129 RTVBDPPTYROWDJ-SFHVURJKSA-N 334.423 2.971 30 50 EFEA C=CCOc1cccc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 820494544 MXNHJNOWNQKPKE-UHFFFAOYSA-N 334.379 2.967 30 50 EFEA C[C@@H]1C[C@@]1(C#N)C(=O)N1C[C@H](COc2ccccc2)OC(C)(C)C1 408519466 ZJJVNTFOQDOHHK-OGWOLHLISA-N 328.412 2.621 30 50 EFEA N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)Cc1ccc(Cl)cc1 13154593 RSGFNNFQAKYEMB-UHFFFAOYSA-N 347.758 2.849 30 50 EFEA C/N=C1\S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1C 16248001 HOZOUDNCQLKUJI-MGPWXQLLSA-N 327.409 2.728 30 50 EFEA CC1(C)OB(c2cccc(OCCN3CCCCC3)c2)OC1(C)C 169960679 DUVABZLNIXJVLC-UHFFFAOYSA-N 331.265 2.851 30 50 EFEA C#CCN1CCC(c2nc(-c3ccc(Br)o3)no2)CC1 267040627 HSDSTSYHBSARPZ-UHFFFAOYSA-N 336.189 2.905 30 50 EFEA Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(C#N)c1C 252516309 RPNUNFBHNXESFV-XHDPSFHLSA-N 345.447 2.705 30 50 EFEA COc1cccc(N(CCC#N)S(=O)(=O)c2cccc(F)c2)c1 225492636 LAWYSWHEOOYQQQ-UHFFFAOYSA-N 334.372 2.943 30 50 EFEA Cc1oc(C#N)cc1C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 348261678 PZWKQCIKFFBINM-BZNIZROVSA-N 332.306 2.686 30 50 EFEA C/C(=N/NC(N)=S)c1ccccc1OCc1cnc(Cl)s1 4091809 CLFUHFKSQXLVCJ-IUXPMGMMSA-N 340.861 2.933 30 50 EFEA CC#CC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 242389545 ZYFCJQMHVFGWBN-UHFFFAOYSA-N 343.427 2.617 30 50 EFEA CN(Cc1cccc2cnccc12)S(=O)(=O)c1cccc(C#N)c1 952967944 JAQLBRYXBLNLCN-UHFFFAOYSA-N 337.404 2.927 30 50 EFEA Cc1nccn1CC[C@H]1CCCCN1Cc1ccc(C#CCO)cc1 1506417974 CYSLAKASFWVSMK-OAQYLSRUSA-N 337.467 2.980 30 50 EFEA COc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)cc1 5158422 SKAJBVPTUXUHOM-UHFFFAOYSA-N 338.367 2.802 30 50 EFEA C=C(C)CN(CC)C(=O)[C@H]1CCCN(C2CCN(C(C)C)CC2)C1 11764029 QGLHAQRXJYJUFI-SFHVURJKSA-N 335.536 2.996 30 50 EFEA N#Cc1ccc(C2CCN(S(=O)(=O)[C@@H]3[C@H]4CCCC[C@H]43)CC2)nc1 1875290496 MDWUKCVQWVVMRV-VQFNDLOPSA-N 345.468 2.651 30 50 EFEA Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc(C#N)cs1 225660369 VYBMEKIVQNFDEV-UHFFFAOYSA-N 335.454 2.791 30 50 EFEA C=C(C)Cn1nc(C)c(CCC(=O)N[C@@H](CO)c2ccccc2)c1C 230215704 QZIWDCDOWOIFSU-IBGZPJMESA-N 341.455 2.858 30 50 EFEA O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccnc(C(=O)O)c1 237977581 PMRNGWIQKJALNI-UHFFFAOYSA-N 348.280 2.580 30 50 EFEA C=CCN1C(=O)[C@](O)(CC(=O)c2ccncc2)c2cc(Cl)ccc21 5269449 VLHBNCPKWWSGOY-SFHVURJKSA-N 342.782 2.728 30 50 EFEA C=CCC(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2OC)C1 12386400 PLCMHYZJIHLZLX-KRWDZBQOSA-N 330.472 2.984 30 50 EFEA N#CC1CCC(CNC(=O)NCC[S@](=O)Cc2ccccc2)CC1 252493878 NFSXZGVJLPSIJU-WLNDFMDLSA-N 347.484 2.564 30 50 EFEA COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@@H]1CO1)CC2 1875372808 MUVWOTKPZWZAJE-RDJZCZTQSA-N 345.420 2.638 30 50 EFEA C#CCCC1(CCC(=O)N2CC(c3nc4ccccc4n3C)C2)N=N1 2325891807 ZOFFERUCFIIJJG-UHFFFAOYSA-N 335.411 2.855 30 50 EFEA COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(O)cc1O 1277717 ZUTGSOUJBYPQEZ-RQZCQDPDSA-N 342.380 2.910 30 50 EFEA C=CCOc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 3002846 GYNZRIGOVNQRGJ-MRXNPFEDSA-N 325.364 2.821 30 50 EFEA Cc1ccnc(N2CCCC[C@@H]2c2nc(-c3ncccn3)no2)c1C#N 225575604 CDNBZBFQPMRROZ-CQSZACIVSA-N 347.382 2.833 30 50 EFEA Cc1noc([C@@H](/N=C(/O)c2ccc3n[nH]cc3c2)C2CCOCC2)n1 328612548 PBPAJCZWHCTKMI-HNNXBMFYSA-N 341.371 2.727 30 50 EFEA C=C(C)Cc1c(C)nn(CCC(=O)N[C@H](CO)c2ccccc2)c1C 218295270 ZFNBQSLXXKJJOB-LJQANCHMSA-N 341.455 2.858 30 50 EFEA CCCn1ccc2ccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)cc21 132301306 FJYZAKFSANNKNX-CYBMUJFWSA-N 326.400 2.750 30 50 EFEA O=C1Nc2ccc(Br)cc2/C1=N\N=C\c1cccc(O)c1 456508 DLQMIPLEKFQALI-CAOOACKPSA-N 344.168 2.930 30 50 EFEA C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2F)cc1 12343822 KZHDJKCESWYZKR-UHFFFAOYSA-N 334.372 2.542 30 50 EFEA C=CCN(C)C(=O)N[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 155745968 OKUCZINNYBZCPM-QZTJIDSGSA-N 329.444 2.800 30 50 EFEA N#Cc1cc(Br)ccc1N1CCO[C@H]([C@H]2CCCO2)C1 252486275 HONMFSADWXMJKB-CABCVRRESA-N 337.217 2.705 30 50 EFEA COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)O 70691 RSOCXHAEYSIWMY-UHFFFAOYSA-N 338.315 2.621 30 50 EFEA N#Cc1ccccc1Oc1cc(=O)n(Cc2ccc(F)cc2)c(O)n1 2325864891 CUZBYFPLVSPSTF-UHFFFAOYSA-N 337.310 2.800 30 50 EFEA COCCOc1ccc(C/C(O)=N/Cc2ccncc2OC)cc1 328597816 IVYYBSUXRFCVJM-UHFFFAOYSA-N 330.384 2.815 30 50 EFEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N/C(O)=N/[C@H](C)c1ccco1 328623111 IWIZLDWNRHDKRE-HICWGWBUSA-N 332.404 2.725 30 50 EFEA COc1cccc(C=NN2CCN(Cc3ccccc3)CC2)c1OC 238900193 HWZLCXFEKXKQPV-UHFFFAOYSA-N 339.439 2.856 30 50 EFEA C/N=C(/NCc1ncc(C)s1)N[C@@H]1CCCN(c2ccccc2)C1 86745511 AQGYKRSJZZBBNF-OAHLLOKOSA-N 343.500 2.786 30 50 EFEA C[C@@H](CC(=O)c1ccccc1)NS(=O)(=O)Cc1cccc(C#N)c1 408513593 NYFDACSNVURNMY-AWEZNQCLSA-N 342.420 2.639 30 50 EFEA C=CCN(C(=O)C[C@@H]1C=CS(=O)(=O)C1)[C@H]1CCc2ccccc21 1875254594 DAZVDHJFUYHCEC-YOEHRIQHSA-N 331.437 2.637 30 50 EFEA Cn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1c1cccc(F)c1C#N 1875399903 LVLISAZUOYMQSE-NHYWBVRUSA-N 327.363 2.509 30 50 EFEA C#CCCC1(CCC(=O)N2CC[C@@H]3C[C@@H](C(=O)O)CC[C@@H]3C2)N=N1 2325901034 QYDKYFXGLPZHGL-QLFBSQMISA-N 331.416 2.692 30 50 EFEA Cc1cc(C)c(C#N)c(N2Cc3nnc(-c4ccccn4)n3[C@@H](C)C2)n1 2356144789 MFQCISTXJVDNKK-AWEZNQCLSA-N 345.410 2.805 30 50 EFEA C=CCNC(=O)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] 2842179 UOLPOJVMACVJBI-UHFFFAOYSA-N 339.351 2.692 30 50 EFEA C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@@H](C(=O)OCC)C1 252497284 QCXMTDDJBZNXNY-CQSZACIVSA-N 344.415 2.894 30 50 EFEA C[C@H](Oc1cccc(C(=O)/C=C/c2c(Cl)cnn2C)c1)C(=O)O 122670780 PEWSNEZKSQVZEC-FGEFZZPRSA-N 334.759 2.822 30 50 EFEA N#Cc1ccc(N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 253417130 VNYDCQIVMDKKNV-HOCLYGCPSA-N 327.315 2.918 30 50 EFEA Cc1cccc(N(C)C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)n1 367714424 BCDKAGSKJHMNFA-OAHLLOKOSA-N 338.386 2.890 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2CCC[C@H]2Oc2cnn(CC)c2)N=N1 2325886451 ZDOOWYLYEHXOGK-JKSUJKDBSA-N 343.431 2.675 30 50 EFEA C#CCCC1(CCNC(=O)[C@@H](N)[C@H](c2ccccc2)C(C)C)N=N1 2325900831 KSRDPAFREYSARH-IRXDYDNUSA-N 326.444 2.835 30 50 EFEA N#Cc1cccc(N2CCC(CO)(Cc3cccc(F)c3)CC2)n1 67695287 MBZNNSOOXYQICC-UHFFFAOYSA-N 325.387 2.914 30 50 EFEA Cc1nc([C@@H]2CCCN2/C(O)=N/[C@H]2COc3c(C)cccc3C2)no1 329628481 PUXUUHMBJFBIHF-CABCVRRESA-N 342.399 2.741 30 50 EFEA C[C@@H](Oc1ccccc1C#N)C(=O)NCc1nccn1-c1ccccc1 253393143 UOEHNUIBWYGWII-OAHLLOKOSA-N 346.390 2.828 30 50 EFEA COCCN1CN(C(O)=Nc2cc(Cl)c(C)cc2Cl)CC1=O 330446074 UVLBFKAPSWXUDF-UHFFFAOYSA-N 346.214 2.595 30 50 EFEA Cc1ccc(C(=O)N[C@H](C#N)C2CCCCC2)cc1S(C)(=O)=O 176574860 HFMFERJNAQVDPC-OAHLLOKOSA-N 334.441 2.601 30 50 EFEA Cn1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1c1cccc(F)c1C#N 1875399904 LVLISAZUOYMQSE-XHDPSFHLSA-N 327.363 2.509 30 50 EFEA CC(C)(C)c1cnc(N2CCN(c3ccc(O)nc3)CC2)c(C#N)c1 2325802440 HKQHBLTVPHPHCR-UHFFFAOYSA-N 337.427 2.678 30 50 EFEA C#CCCC1(CCC(=O)Nc2ccc(NC(=O)C3CC3)nc2)N=N1 2325885341 KMCIKSGPWWJYOG-UHFFFAOYSA-N 325.372 2.724 30 50 EFEA C=C(C)COc1ccccc1C(=O)N1CCCn2nc(C#N)cc2C1 55211782 WCMHVOYLWCFPFL-UHFFFAOYSA-N 336.395 2.756 30 50 EFEA Cc1nc(C(C)C)oc1/C(O)=N/C1CCC2(CC1)N=C(O)N=C2O 329119175 VGFDJBYOHNBNIU-UHFFFAOYSA-N 334.376 2.977 30 50 EFEA N#Cc1cc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)c[nH]1 378471453 LYSMVXLUZPOBQZ-VIFPVBQESA-N 337.305 2.648 30 50 EFEA CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)O[C@@H]1CCC[C@@H]1C#N 242001135 VDEGCWKBKNQQAB-IJLUTSLNSA-N 326.418 2.532 30 50 EFEA N#Cc1ccccc1N1CCN(Cc2cc(=O)c3ccccc3[nH]2)CC1 91807679 IWQYFOCXECFYCW-UHFFFAOYSA-N 344.418 2.722 30 50 EFEA CC#CC(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2Cl)C1 12591795 KCQDKCSRJDEZNN-OAHLLOKOSA-N 346.858 2.998 30 50 EFEA CC1(C)OB(c2ccc(OCCO[C@@H]3CCCCO3)cc2)OC1(C)C 169984551 QFGHJDSHLFYPPQ-QGZVFWFLSA-N 348.248 2.908 30 50 EFEA COc1cc(C(=O)NCc2cc(C#N)ccc2F)cc(Cl)c1O 135147236 KASJUEPIDQEEHZ-UHFFFAOYSA-N 334.734 2.995 30 50 EFEA Cc1cc([C@H]2CCCN2S(=O)(=O)Cc2csc(C#N)c2)no1 913892605 VPOJVXWBLUGKBB-CQSZACIVSA-N 337.426 2.583 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H](CCC)C(=O)Nc2nccs2)N=N1 2325899849 ASUVSZSWGSJWJA-LBPRGKRZSA-N 347.444 2.722 30 50 EFEA Cc1cc(N=C(O)N2C[C@H](C)O[C@@]3(CCOC3)C2)c2ncccc2c1 328595925 KLCZVEAJHFGURH-LIRRHRJNSA-N 341.411 2.969 30 50 EFEA CO/N=C/C(=N\Nc1cc(OC)cc(OC)c1)C(=O)c1ccccc1 3132992 CEYHEZUZCXHQJM-YKTCLATHSA-N 341.367 2.987 30 50 EFEA C=CCNC(=O)c1cnc2scc(-c3ccc(C)cc3)n2c1=O 16651464 YQYVXESLVYEQBM-UHFFFAOYSA-N 325.393 2.647 30 50 EFEA O/C(=N/[C@@H]1CCc2c[nH]nc2C1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 329882008 PHJABWAKBNVPFQ-QLFBSQMISA-N 339.395 2.798 30 50 EFEA C=C1[C@H]2CC[C@@]3([C@@H]([C@H]2O)[C@@]24CCC[C@@]5(C)CN(CC)[C@H]2[C@@H]3C[C@@H]45)[C@@H]1O 1848350524 OVXLNQAYPUEDSI-RNDGIAIDSA-N 343.511 2.821 30 50 EFEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2ccc(C#N)c(F)c2)C1 888102875 SCPKJFAVCJLDLX-WBVHZDCISA-N 328.391 2.999 30 50 EFEA c1ccc(CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H]3O[C@@H]32)cc1 6339560 AOZVSPOPQDFUMI-XVMXLUHGSA-N 340.375 2.810 30 50 EFEA C=CCC(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 55211213 BZPKSWVCTNLHMU-INIZCTEOSA-N 331.435 2.515 30 50 EFEA Cn1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c2ccccc21 253390243 UPHRIRMXYZVLDE-GOUORIBYSA-N 345.402 2.565 30 50 EFEA C=CCN(C(=O)C[C@@H]1C=CS(=O)(=O)C1)[C@@H]1CCc2ccccc21 1875254593 DAZVDHJFUYHCEC-WMLDXEAASA-N 331.437 2.637 30 50 EFEA CO[C@@H]1CCN([C@H]2CCC[C@H]2NCc2ccc(C#N)cc2Cl)C1 886082592 SYRLOPGDUAUTNN-NXHRZFHOSA-N 333.863 2.943 30 50 EFEA C=CCSc1nnc([C@@H]2CCCN(Cc3cccnc3)C2)n1C 20855947 ARIMOCDJKUXCOC-OAHLLOKOSA-N 329.473 2.868 30 50 EFEA Cc1nc(C(=O)N2CCCC[C@H]2c2n[nH]c(C(C)C)n2)ccc1C#N 289025786 GOMVKGGMQHTDLK-HNNXBMFYSA-N 338.415 2.871 30 50 EFEA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1N=Cc1ccc(Cl)cc1 244795598 RJMHKOAACSZNAE-OSLXHZNNSA-N 326.783 2.727 30 50 EFEA CO[C@@H](C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)c1cnn(C)c1 360699105 HGBQJGGUKDKPQK-IAGOWNOFSA-N 340.427 2.786 30 50 EFEA C#CCCC1(CCC(=O)Nc2cc(C)nn2Cc2ccccn2)N=N1 2325892300 IFBLSYSPBXHZKA-UHFFFAOYSA-N 336.399 2.929 30 50 EFEA C#CCCC1(CCC(=O)NCc2ccccc2CCC(=O)OC)N=N1 2325892864 LMVSVHYBYWKLKZ-UHFFFAOYSA-N 341.411 2.764 30 50 EFEA CC1(C)CC(=O)C([C@H](c2cccnc2)[C@H](C#N)C(N)=S)=C(O)C1 406182 SPHUESUBWCXKME-SMDDNHRTSA-N 329.425 2.792 30 50 EFEA COc1cc(C#N)ccc1OCCN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 281578162 ZPQKAIHIFMIOJY-KURKYZTESA-N 344.455 2.961 30 50 EFEA Cc1csc(C/C(N)=N/OCc2csc([C@@H]3CCCO3)n2)n1 153112424 TXRIFEHZRONEIL-NSHDSACASA-N 338.458 2.791 30 50 EFEA CCCN1CC[C@H](NC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 584892174 OMMAZGAAGIQHIW-SFHVURJKSA-N 340.471 2.738 30 50 EFEA COc1cc(NC(=O)Cn2ccc(C(F)(F)F)n2)c(F)cc1C#N 1361918351 WTYIRZWEHHHHQE-UHFFFAOYSA-N 342.252 2.560 30 50 EFEA C=CCN1C[C@H](C(=O)Nc2ccc3c(c2)cc(C)n3CC)CC1=O 952961115 LQNAKMRZHNYGRJ-OAHLLOKOSA-N 325.412 2.943 30 50 EFEA N#Cc1ccc(CN2CCC(N[C@H]3c4ccccc4C[C@H]3O)CC2)cc1 305804632 YSCHFEFMIZJBMG-YADHBBJMSA-N 347.462 2.771 30 50 EFEA C=CCc1c(C)nc(SCC(=O)Nc2ccc(C)cc2)[nH]c1=O 18250785 HLFSXDIXKACHOD-UHFFFAOYSA-N 329.425 2.846 30 50 EFEA CCOc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)c(O)c1 19879305 CDGNOUPFWASLGP-RCCKNPSSSA-N 339.439 2.943 30 50 EFEA N#CCc1cccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)c1 367650995 MMNIQMTWQNSMEH-UXHICEINSA-N 334.419 2.991 30 50 EFEA C=C(Br)CN1CCOC[C@@H]1C[C@@H](O)c1cccs1 246321845 NAXMKERUIRHIGU-NWDGAFQWSA-N 332.263 2.781 30 50 EFEA CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C#N)cc1F 170604921 KNEGBGAFNRJUNI-UHFFFAOYSA-N 349.343 2.621 30 50 EFEA CC1(C)CCC(F)(F)C[C@H]1NCc1cc(O)n2ncc(C#N)c2n1 2325771953 FIPQFMCPCHVSIZ-GFCCVEGCSA-N 335.358 2.610 30 50 EFEA C=CCNc1nc([C@]2(C)C[C@]3(CC(C)(C)OC3=O)C(=O)O2)cs1 2198928 WEJPJKNIRSDDBM-HOTGVXAUSA-N 336.413 2.615 30 50 EFEA C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCN2CCCC[C@@H]12 229173801 RXMWYLFXYVOXBW-ROUUACIJSA-N 329.419 2.597 30 50 EFEA COc1cccc(C[C@@]2(CO)CCCN(c3cc(C#N)ccn3)C2)c1 67947498 NNYHEHIAOWYVPS-FQEVSTJZSA-N 337.423 2.783 30 50 EFEA COc1ccc(-n2ccnc2S(=O)(=O)CCCC(C)(C)C#N)cc1 195141946 XBWJTLSTJZBNPR-UHFFFAOYSA-N 347.440 2.985 30 50 EFEA CCN1CCN(C(O)=Nc2cscc2C)C[C@H]1c1nccn1C 328628979 OHNJQRPFHAESIC-AWEZNQCLSA-N 333.461 2.714 30 50 EFEA Cc1cccc(/C(O)=N/[C@H]2CCCC[C@H]2n2cc(CO)nn2)c1C 328606516 RXEDPNARDGPROT-DLBZAZTESA-N 328.416 2.876 30 50 EFEA Brc1ccc(/C=N/Nc2nnnn2-c2ccccc2)cc1 4697719 LYVIWDXUIWMWGX-MHWRWJLKSA-N 343.188 2.871 30 50 EFEA N#Cc1cc(Br)ccc1N1CCCN(C(=O)C2CC2)CC1 152833818 BUCAGHWGLFCDCI-UHFFFAOYSA-N 348.244 2.769 30 50 EFEA C=CCn1cc(CN2CCC(OCc3ccccn3)CC2)c(C)n1 215527293 GLJFQCZUXRPCIW-UHFFFAOYSA-N 326.444 2.954 30 50 EFEA C=CCNC(=O)c1cccc(-c2noc([C@](C)(OC)C3CC3)n2)c1 291119639 URTCUQLYGIYRHH-GOSISDBHSA-N 327.384 2.924 30 50 EFEA CCN1CCN(C[C@H](C)CNc2nc3c(cc2C#N)CCCC3)CC1 189443674 RHAOWUBOHBHWIG-MRXNPFEDSA-N 341.503 2.518 30 50 EFEA COc1cc(/C=N/n2cnnc2)ccc1OCc1ccccc1F 459802 CIKDICZVAPLCTO-ZVBGSRNCSA-N 326.331 2.887 30 50 EFEA C=CCN(C)C(=O)N[C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 155746089 OKUCZINNYBZCPM-ZWKOTPCHSA-N 329.444 2.800 30 50 EFEA CC1(C)OB(c2ccc([S@](=N)(=O)C(F)(F)F)cc2)OC1(C)C 1875390131 RNLKGIBLTCLPTR-QFIPXVFZSA-N 335.156 2.911 30 50 EFEA CC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccc1OC1CCCC1 4868488 DPFPURWEZFPGOT-QGZVFWFLSA-N 339.399 2.872 30 50 EFEA O=C1C2=C(NC(=S)N[C@@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc21 100222890 YRBGHTMLXLCSEN-CQSZACIVSA-N 337.360 2.721 30 50 EFEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2cc(C)nc(C(C)C)n2)C1 328610391 HPSQWDJGRZQXIW-QGZVFWFLSA-N 344.419 2.682 30 50 EFEA CC(C)(C#N)CC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 279096362 WUPJLXWRIXHLBB-INIZCTEOSA-N 327.428 2.737 30 50 EFEA Cc1c(C#N)cccc1-c1nnc([C@H]2OCC[C@H]2Cn2cccn2)o1 886096421 GUXWFPBUNMGYHH-HOCLYGCPSA-N 335.367 2.891 30 50 EFEA OC(=Nc1cccnc1-n1cncn1)N1CCC=C(c2ccccc2)C1 328586854 CBXOWECANVSHPA-UHFFFAOYSA-N 346.394 2.997 30 50 EFEA CN(C[C@@H](O)c1ccc(C#N)cc1)C1CCN(c2ccccn2)CC1 364448502 QLXXFDKZWFGPPV-LJQANCHMSA-N 336.439 2.587 30 50 EFEA N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2nccs2)cc1 127174145 NIRXSFVLQMFYKV-AWEZNQCLSA-N 340.408 2.707 30 50 EFEA Cc1ccc(-c2n[nH]cc2CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 367779486 NPAXJINCAUUXGV-MRXNPFEDSA-N 349.394 2.898 30 50 EFEA COC[C@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC(C)(C)O1 285464699 KMVDQCMHGCAENO-MRXNPFEDSA-N 330.428 2.754 30 50 EFEA Cc1c(C(=O)O[C@H]2CCCN(c3ccc(F)cc3C#N)C2)cnn1C 170608671 GNGHGUJKNXZEDF-HNNXBMFYSA-N 342.374 2.565 30 50 EFEA CCOC(=O)C(F)(F)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1857780037 ARJSOVRAPXPSDH-UHFFFAOYSA-N 342.147 2.521 30 50 EFEA CC(=N/Nc1nc(C)cc(C)n1)/C(C)=N\Nc1nc(C)cc(C)n1 2325809552 IRNKUKBNTXWCTI-JZTLMNBPSA-N 326.408 2.776 30 50 EFEA Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1NS(C)(=O)=O 10328462 HRMHHZHHINSMSC-UHFFFAOYSA-N 343.408 2.685 30 50 EFEA C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CC(=O)NC1(C#N)CCCC1 229635086 SFJACAHCMHXUCA-GPMSIDNRSA-N 341.455 2.789 30 50 EFEA CSc1nsc(N=C(O)N2CCC[C@@H](OCC3CC3)C2)n1 328587703 FMHMMNLMGIXIGP-SNVBAGLBSA-N 328.463 2.697 30 50 EFEA N#Cc1c(CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)cn2ccccc12 333577006 SVNZFXCXHLXYHR-LUVWLHFXSA-N 331.375 2.508 30 50 EFEA C#CCCC1(CCC(=O)Nc2nc3ccc(C(=O)O)cc3n2C)N=N1 2325901098 TYROWZVRKAMDEL-UHFFFAOYSA-N 339.355 2.566 30 50 EFEA C[C@H](/N=C(O)/C=C/c1ccccc1)C(=O)N1CC[C@@H](n2cccn2)C1 328594123 RWYYJTUGWVSLBL-IVAPMYIESA-N 338.411 2.715 30 50 EFEA C/N=C(/O)CN1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1 328607588 WPNPBNBURXRSSD-DNVCBOLYSA-N 340.427 2.600 30 50 EFEA C[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)c2ccccc2C(=O)N1 360657709 OXIYBKHLSJOMGS-AWEZNQCLSA-N 333.391 2.656 30 50 EFEA C=CCN1C[C@H](C(=O)NCc2ccc(-c3ccccc3)o2)CCC1=O 221431739 WOIHNPNCATXNHB-MRXNPFEDSA-N 338.407 2.987 30 50 EFEA CCn1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cn1 20606628 RMADKVWDSJZMPE-INIZCTEOSA-N 343.427 2.680 30 50 EFEA Cc1cccc(=O)n1CCC(=O)N1CCC(C#N)(c2ccccc2)CC1 97527886 IMVTVGFJBMDRBG-UHFFFAOYSA-N 349.434 2.631 30 50 EFEA C#CCOc1ccccc1NC(=O)N1CCO[C@H](c2nccs2)C1 188095578 QQOZLQMVVAVNSW-HNNXBMFYSA-N 343.408 2.761 30 50 EFEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCCCC)C2 14755725 RDURZUUKECVALQ-INIZCTEOSA-N 344.503 2.942 30 50 EFEA Cc1nc(C#N)c(C#N)n1CCc1cc(Cl)c2c(c1)OCCCO2 135482689 NPYAXWACJRSHLY-UHFFFAOYSA-N 342.786 2.992 30 50 EFEA C#CCCC1(CCC(=O)N(C)C[C@H]2COc3ccccc3O2)N=N1 952879972 COEQQZMOQLJLOX-AWEZNQCLSA-N 327.384 2.641 30 50 EFEA C#CCCC1(CCC(=O)N2CCCC[C@@H]2c2ocnc2C(=O)O)N=N1 2325900653 DHKHRIPFWUUMEB-GFCCVEGCSA-N 344.371 2.782 30 50 EFEA COc1cc(C#N)ccc1CN1CCOC[C@H]1CC(=O)c1ccco1 121124955 RNQQKHBZBGRSMZ-MRXNPFEDSA-N 340.379 2.634 30 50 EFEA C=CCCc1ccccc1N=C(O)N1CC[C@@H]2OCC(O)=N[C@H]2C1 328589415 VVTCCPJARWYINU-HOTGVXAUSA-N 329.400 2.780 30 50 EFEA COc1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)ccc1F 177698571 PRHUIMJPKYLFAK-GFCCVEGCSA-N 328.347 2.642 30 50 EFEA C[C@]1(C(F)(F)F)C[C@](O)(C(F)(F)F)C[C@](O)(C(F)(F)F)O1 100045349 ZHZPKMZKYBQGKG-HSUXUTPPSA-N 336.150 2.662 30 50 EFEA in-vitro N#CCCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc(Cl)c1 133068007 ODJWRCYURKYYTK-UHFFFAOYSA-N 342.786 2.616 30 50 EFEA Cc1nc([C@@H]2OCC[C@@H]2CNc2nc(C)c(C#N)cc2Cl)n[nH]1 895301219 AORVUDDUOFHUSZ-ZWNOBZJWSA-N 332.795 2.531 30 50 EFEA N/C(=N/S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 4566255 VFPYBWPXYLLUJQ-UHFFFAOYSA-N 339.214 2.543 30 50 EFEA CC[C@H](Oc1ccccc1)C(=O)O/N=C(\N)c1ccc(OC)cc1 4685121 KHGBUAYYFBJOQD-INIZCTEOSA-N 328.368 2.716 30 50 EFEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)CC1=CCNCC1 55053478 MKUFISYNCFJRHL-UHFFFAOYSA-N 338.411 2.561 30 50 EFEA COc1cccc(C2CC(=O)C(=CNc3cc(C)[nH]n3)C(=O)C2)c1 120991078 HIONWPDQPBTXQY-UHFFFAOYSA-N 325.368 2.738 30 50 EFEA N#C[C@H](C(=O)c1cccc(-c2ncn[nH]2)c1)c1cnc2ccccc2n1 241466060 NUJJDZADFPEOMH-AWEZNQCLSA-N 340.346 2.905 30 50 EFEA COc1cccc(-n2cc([C@@H](C)NC(=O)c3ccc(C#N)nc3)cn2)c1 244691027 JBJOBQWJOJTKII-CYBMUJFWSA-N 347.378 2.639 30 50 EFEA CCn1ccnc(N2CCC(/N=C(/O)c3cscc3C)CC2)c1=O 328630746 JRGNNJQAZJPEQH-UHFFFAOYSA-N 346.456 2.607 30 50 EFEA C[C@H]1C(=O)N(Cc2ccccc2)Cc2nnc(-c3cccc(C#N)c3)n21 2356141532 GHUWGMFKEPUDBC-AWEZNQCLSA-N 343.390 2.920 30 50 EFEA COc1ccc(OC)c(/C=N/n2c(S)nnc2-c2ccncc2)c1 4899256 GMMGAKHSRQLGNM-VCHYOVAHSA-N 341.396 2.528 30 50 EFEA C#CCCC1(CCC(=O)N2CCC(Cc3ccnn3C)CC2)N=N1 952882812 XSCDLXXMOCDHGE-UHFFFAOYSA-N 327.432 2.557 30 50 EFEA Cc1cc(N2CCN(c3ccc(F)cn3)[C@@H](C)C2)nc(C)c1C#N 2356155276 ACRCFFSIYNKDBA-ZDUSSCGKSA-N 325.391 2.819 30 50 EFEA C[C@H](/N=C(/O)C[C@@H]1CCCC(O)=N1)C(=O)N1Cc2ccccc2C1 329682990 YXHWTNBYYFCHNY-WFASDCNBSA-N 329.400 2.773 30 50 EFEA Cc1ccccc1[C@H](C)CC(=O)N1CCC(n2cnc(C#N)n2)CC1 369304861 HGMSSWOWMHBLBN-OAHLLOKOSA-N 337.427 2.816 30 50 EFEA Cc1nsc(N2CCN(c3ncnc4sccc34)CC2)c1C#N 286087892 KDUPLAWRIOFXLS-UHFFFAOYSA-N 342.453 2.655 30 50 EFEA CC#C[C@@H]1[C@@]2(C)[C@@H](CC)[C@@]3(Br)[C@](C)([C@@]13C)S2(=O)=O 252427873 IZMOMVHASBKFLY-KJKVDNPUSA-N 331.275 2.765 30 50 EFEA C=C(C)CNC(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 408514240 VOQQVBITWCMNJF-UHFFFAOYSA-N 339.461 2.602 30 50 EFEA CCc1ccc2nc(N/C(N)=N\C(=O)c3ccccc3N)nc(C)c2c1 15856244 HUSWUBZJWZVLBO-UHFFFAOYSA-N 348.410 2.650 30 50 EFEA Cn1cccc1[C@H]1COCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 162365446 GQRNLVLGCWCFLY-QGZVFWFLSA-N 349.394 2.520 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)N=N1 2325886426 WXLHCJUPBNPPLQ-JKSUJKDBSA-N 327.432 2.603 30 50 EFEA CC#CCN(Cc1ccco1)C(=O)CCNC(=O)c1ccccc1F 55131415 BUVAZDHUNZLDCV-UHFFFAOYSA-N 342.370 2.591 30 50 EFEA C=CCn1cc(CNCc2cc3ccc(F)cc3[nH]c2=O)c(C)n1 55073618 SQTBPTMZHHKJIO-UHFFFAOYSA-N 326.375 2.648 30 50 EFEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCCN(C2CCCC2)CC1 253426026 FKLZDXWZWDHBTG-WMZOPIPTSA-N 335.492 2.628 30 50 EFEA Cc1ccc(OC2CN(C(=O)c3ccc(C#CC(C)(C)O)o3)C2)cc1 299772574 BWXFAVDCPWHMGS-UHFFFAOYSA-N 339.391 2.614 30 50 EFEA C=C(Cl)CNC(=O)c1nnn(-c2ccccc2)c1C(F)(F)F 169990377 NRAKVIILEAJYNB-UHFFFAOYSA-N 330.697 2.768 30 50 EFEA N#Cc1ccc(NCCCO[C@@H]2CCOC2)c(Br)c1 120100097 OMMQSAMRFBGANO-GFCCVEGCSA-N 325.206 2.928 30 50 EFEA C=CCC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 14971188 AUBIMPSWCPXRQO-LJQANCHMSA-N 330.403 2.743 30 50 EFEA N#Cc1nccnc1N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 253420341 NXURPARBCSFIEV-AWEZNQCLSA-N 331.383 2.517 30 50 EFEA CC(C)C#CC(=O)N1CCC2(CC1)C[C@H]2N(C)Cc1nccs1 952892211 FSTCEGHVMCONFF-OAHLLOKOSA-N 331.485 2.615 30 50 EFEA CCCCCCCCNC(=O)/C=C\C(=O)N(CCC#N)CCC#N 100167923 UIYLIDHQSRUWED-KHPPLWFESA-N 332.448 2.675 30 50 EFEA C=CCCN1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 72128204 MSAYELKHNYUBSV-SFHVURJKSA-N 329.488 2.858 30 50 EFEA CC1(C)CN(C(=O)CC2=C(c3ccccc3)CCC2=O)C[C@]1(C)O 92076922 QCVMXIIWCJJGSR-FQEVSTJZSA-N 327.424 2.813 30 50 EFEA C=C(Cl)CS(=O)(=O)NC1CCN(c2cc(C)ccc2F)CC1 170608442 YEJHCIWEJIRXAE-UHFFFAOYSA-N 346.855 2.775 30 50 EFEA CC/N=C(/NC[C@@H]1CCO[C@@H]1c1ccccc1)NCC(C)(C)N(C)C 170650680 AZGMSLONOUCYSM-ZWKOTPCHSA-N 346.519 2.660 30 50 EFEA N#CCc1ccc(OC[C@@H](O)CN2CCC(C(F)(F)F)CC2)cc1 408513029 OKOSKDOEHUDPPI-HNNXBMFYSA-N 342.361 2.767 30 50 EFEA N#Cc1cnc(N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)cn1 280128788 AZKRYEKASGZONM-SMDDNHRTSA-N 334.301 2.679 30 50 EFEA N#Cc1c[nH]c(C(=O)N2CCC3(CC2)OCCc2sccc23)c1 1704359584 UAIFFHKAXBZYKD-UHFFFAOYSA-N 327.409 2.652 30 50 EFEA CC[C@H](C(=O)O/N=C(\N)c1ccc([N+](=O)[O-])cc1)c1ccccc1 18251060 QWDCEAORJAXCJS-HNNXBMFYSA-N 327.340 2.952 30 50 EFEA CC(C)[C@@]1(C(=O)O)C[C@@H]1C(=O)NC(C)(C)Cc1ccc(C#N)cc1 899834796 LDIZCMIHDANSED-BEFAXECRSA-N 328.412 2.742 30 50 EFEA CC(C)C(=O)NC[C@@H]1CCCN(CCCC2(C#N)CCOCC2)C1 225626659 IQFRPSKSIFAJKC-KRWDZBQOSA-N 335.492 2.571 30 50 EFEA Cc1c([C@H]2OCC[C@@H]2/N=C(/O)c2ccnc(C3CC3)c2)cnn1C 330273980 JKVPYBCPJOQANN-DOTOQJQBSA-N 326.400 2.836 30 50 EFEA O=C(Nc1ccccc1O)C1CCN(C(=O)C#Cc2ccccc2)CC1 178345887 IVWQIUOVZOGLJS-UHFFFAOYSA-N 348.402 2.621 30 50 EFEA CN1CCN(Cc2cc(C#CCO)cs2)[C@@H](c2ccccc2)C1 320773640 HAJMMLFKTYSWLC-LJQANCHMSA-N 326.465 2.581 30 50 EFEA N#CC1(C#N)[C@@H](c2ccccn2)O[C@@]23CCCCC[C@@H]2[C@@]1(C#N)C(=N)O3 239432957 WZTBGWGNYMAMTR-VVWQDTPRSA-N 347.378 2.981 30 50 EFEA CC(C)c1nc(CN(C)CCCC(=O)Nc2ccc(C#N)cc2)no1 240128344 IQBULSSFLWAJIN-UHFFFAOYSA-N 341.415 2.915 30 50 EFEA COc1ccccc1N1CCN(/N=C/c2ccc(C(=O)O)cc2)CC1 232160 NGPGEDHFOANAAR-XSFVSMFZSA-N 339.395 2.550 30 50 EFEA C=CC[C@@H]1N(c2ccccc2Cl)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 4174143 WUUOXQDEXRFYJX-SUKQMUEJSA-N 345.782 2.656 30 50 EFEA C=CCOc1cccc(CN(CC)C(=O)C(=O)c2cccn2C)c1 55284676 ACOKQYWXHKJKIC-UHFFFAOYSA-N 326.396 2.821 30 50 EFEA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C 257345453 LCZBQMKVFQNSJR-SVMVYQPLSA-N 346.467 2.809 30 50 EFEA Cn1/c(=N/N=C\c2ccccc2OCCO)sc2ccccc21 13228352 UMKWHIVJKJRBCH-AQHVKWFBSA-N 327.409 2.546 30 50 EFEA N#CC1(C#N)[C@@H](c2ccccn2)O[C@@]23CCCCC[C@H]2[C@@]1(C#N)C(=N)O3 206002417 WZTBGWGNYMAMTR-QGWWYQLQSA-N 347.378 2.981 30 50 EFEA C#CCCC1(CCC(=O)NCc2ccn(Cc3ccccc3)n2)N=N1 2325892528 QNCMGUKHOQEOHY-UHFFFAOYSA-N 335.411 2.903 30 50 EFEA COc1cccc(OCCOc2cccc(/C=N/n3cnnc3)c2)c1 2969251 QPKPUHZRQCMNLP-CIAFOILYSA-N 338.367 2.627 30 50 EFEA CC[C@H]1CN(c2cc(C#N)ccn2)CCC(=O)N1Cc1ccccc1 71750568 KUXXNCALPSVYRK-SFHVURJKSA-N 334.423 2.971 30 50 EFEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2cc(Cl)c[nH]2)cc1 218553285 GMYBEFYWXHNWQG-GDBMZVCRSA-N 345.786 2.506 30 50 EFEA COc1cccc2c1C[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)C2 458079748 JENMQFNYFQBYNU-MRXNPFEDSA-N 335.407 2.530 30 50 EFEA CC(C)c1nc([C@@H]2CCCCN2C(=O)c2cc(C#N)cn2C)n[nH]1 408473686 BBLRPVHRRDQEFR-ZDUSSCGKSA-N 326.404 2.506 30 50 EFEA COc1cccc(Cl)c1CNC(=O)Nc1ccn(CCC#N)n1 192269526 MAHYSTJHRYPRNF-UHFFFAOYSA-N 333.779 2.780 30 50 EFEA C=CCn1c(SCc2nnc(C)n2C)nnc1-c1ccccc1 160923832 KHALNQHJGQBQQP-UHFFFAOYSA-N 326.429 2.860 30 50 EFEA N#Cc1ccc(C2CCN(C(=O)c3ccc(O)c(F)c3)CC2)nc1 863947565 IHCGNLXWBBIDAN-UHFFFAOYSA-N 325.343 2.818 30 50 EFEA CC(C)Cc1ccc(C#N)c(N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)n1 1875398968 KOUILMDREZBYOP-BMGDILEWSA-N 339.443 2.600 30 50 EFEA C#CCCC1(CCNC(=O)[C@@](O)(c2ccccc2)C(F)(F)F)N=N1 2325891721 YAJASWAKDHSWDH-HNNXBMFYSA-N 339.317 2.518 30 50 EFEA N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)[C@H]1CCOC1 252477601 RFEGWFFGTZUWPH-MHEUCROKSA-N 338.329 2.854 30 50 EFEA Cn1ccnc(N2CCC(/N=C(/O)C3=CCCCCC3)CC2)c1=O 328633118 LSPMZOWCLYKYMV-UHFFFAOYSA-N 330.432 2.596 30 50 EFEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(C(=O)O)cc1 71711886 LQQZTWIXRRKFNR-UHFFFAOYSA-N 333.351 2.610 30 50 EFEA COc1ccc([C@@H]2O[C@@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@@H]3C)cc1 226982036 KNBJGGAZDRQYCX-TZJWZKGTSA-N 336.351 2.670 30 50 EFEA N#Cc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)c1 82109719 DBZCBOZCZIJNRD-UHFFFAOYSA-N 339.782 2.701 30 50 EFEA COc1ccc(S(=O)(=O)O/N=C2\C=C(C(C)C)C(=O)C=C2C)cc1 16225265 IREXTZXSICWXAY-FBMGVBCBSA-N 349.408 2.868 30 50 EFEA N#C[C@H]1COCCN1C(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1 864057677 OAOYONHOUUGNOU-BPLGCGBFSA-N 328.265 2.767 30 50 EFEA C=CCC1(C(=O)NC[C@H](C)C#N)CCN(C(=O)OC(C)(C)C)CC1 1875278239 KQEICCLPAAAHRO-CQSZACIVSA-N 335.448 2.856 30 50 EFEA N#Cc1cnc(NC[C@H]2CC[C@@H](c3n[nH]c(C4CC4)n3)O2)c(Cl)c1 1775959157 JMIWJQZZUFAWAH-YPMHNXCESA-N 344.806 2.934 30 50 EFEA Cn1nccc1[C@H]1[C@H](CNCc2cccc(C#N)c2)CCCN1C1CC1 343467329 WYFGFOIYGMGKQM-GHTZIAJQSA-N 349.482 2.997 30 50 EFEA COc1ccc([C@@H]2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C2)cc1 229290112 SRGIMKGXHXRHKF-APWZRJJASA-N 329.444 2.539 30 50 EFEA N#Cc1ccc(O[C@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)nc1 366386313 NDUXIDMNWIQQEG-INIZCTEOSA-N 346.390 2.657 30 50 EFEA CSCCCN1C(=O)CC[C@H]2CN(c3cc(C#N)ccn3)CC[C@H]21 72473072 QZGWITCITRRJQS-JKSUJKDBSA-N 344.484 2.524 30 50 EFEA N#CCSCC(=O)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 242302066 YPGSMVAHJBAWNR-ZWNOBZJWSA-N 344.358 2.596 30 50 EFEA CCc1nc(CN(C)[C@H](C(=O)O)c2ccc(C(C)(C)C#N)cc2)no1 95386660 HXEUJMWZAPEDTF-INIZCTEOSA-N 342.399 2.691 30 50 EFEA C#CCNC(=O)c1ccccc1NC(=O)C[C@@H]1CCO[C@H](CC)C1 272798280 UBRMHZRKWHLDJJ-HUUCEWRRSA-N 328.412 2.583 30 50 EFEA CC(C)(C)C(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21 169794154 LVERYMRCXQZLII-UHFFFAOYSA-N 344.264 2.706 30 50 EFEA in-vitro CC(C)n1cc(C#N)c(NC(=O)c2ncccc2Br)n1 193647651 MSSCSHMQIPWDRI-UHFFFAOYSA-N 334.177 2.745 30 50 EFEA O/C(=N/C[C@H]1COCCO1)N1CCC(c2cccc(Cl)c2)CC1 329990985 JMXXJKRKGBRNOZ-INIZCTEOSA-N 338.835 2.849 30 50 EFEA Cn1cnc(C#N)c1CN[C@H]1CN(Cc2ccccc2)C2(CCC2)C1 1875404434 IRJGKUKHFMFOFW-QGZVFWFLSA-N 335.455 2.579 30 50 EFEA Cc1ccc(S(=O)(=O)N=C2C=C(Cl)C(=O)C(Cl)=C2)cc1 361240 UMONOHJFHJXUQU-UHFFFAOYSA-N 330.192 2.953 30 50 EFEA CC#CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 282334455 ADTKJHFXLYTBGE-UHFFFAOYSA-N 332.709 2.779 30 50 EFEA N#Cc1cc2n(n1)CCN(C(=O)c1cc(C3CC3)nc3ccccc13)C2 426572998 CTRIEYKIYXQCAM-UHFFFAOYSA-N 343.390 2.836 30 50 EFEA COCOCCC/N=C(/O)CNC(=O)c1ccc(C(C)(C)C)cc1 328600050 VJGUFXQKQRGVME-UHFFFAOYSA-N 336.432 2.681 30 50 EFEA CCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1c1ccccc1Cl 330032827 SALLVTVTAMAQNQ-OAHLLOKOSA-N 341.864 2.957 30 50 EFEA C=CC(=O)N1CCC(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 1875369217 AYUFLBOUDVRRJK-KRWDZBQOSA-N 325.412 2.572 30 50 EFEA N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CCC[C@H]2CN)c1 2325795294 WTNPGGRVJRFRPF-PKOBYXMFSA-N 349.434 2.994 30 50 EFEA N#Cc1ccc[n+](CC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 1958015 KCJZTGWMARPXQS-UHFFFAOYSA-O 342.378 2.981 30 50 EFEA N#Cc1c(-c2cc(C#CCO)cs2)cc(-c2ccc(O)cc2)nc1N 67713625 KZKWIJBBELUEIA-UHFFFAOYSA-N 347.399 2.980 30 50 EFEA C=CC[C@@H](CC)/N=C(/O)Nc1cccc2c1CCN2S(C)(=O)=O 328587547 AOSUOSQCRYRCRM-GFCCVEGCSA-N 337.445 2.689 30 50 EFEA CN=c1ccc(/C(O)=N/CCSCc2ccccc2C#N)c[nH]1 328591161 AGLIZXOJKYCWEO-UHFFFAOYSA-N 326.425 2.655 30 50 EFEA CC(C)(C)C(=O)O[C@H]1C[C@H]2[C@@H]3C[C@@H](C=O)[C@@H](CCO)[C@@H]3C=C[C@@H]2C1 71786724 ANIOLKUWBXBYKB-GFNSITTLSA-N 334.456 2.990 30 50 EFEA N#CC1(NC(=O)CN2C[C@@H](O)C[C@@H]2C2CCCCC2)CCCCCC1 169986764 CJUFJHTYSBFPPS-ZWKOTPCHSA-N 347.503 2.735 30 50 EFEA Cc1ccc(C#N)cc1S(=O)(=O)Nc1nnc(CC2CCCC2)o1 194904489 IWRFTBYGEOUAEH-UHFFFAOYSA-N 346.412 2.783 30 50 EFEA Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCO)cc1 5818324 JTAHKXXTBSKUAH-KRWDZBQOSA-N 337.375 2.566 30 50 EFEA C/C(=N\Nc1ncc(Br)cn1)c1cccc([N+](=O)[O-])c1 4595570 PMXWENWUNMFZEF-LZYBPNLTSA-N 336.149 2.983 30 50 EFEA N#Cc1cccc(CN2CCC(Nc3ncnc4c3CCC4)CC2)c1 845774927 XELLUUMRLBFWFB-UHFFFAOYSA-N 333.439 2.913 30 50 EFEA Cn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1c1cccc(F)c1C#N 1875399901 LVLISAZUOYMQSE-ABAIWWIYSA-N 327.363 2.509 30 50 EFEA N#Cc1ccc(N2CC[C@H](n3cc(-c4ccccc4F)nn3)C2=O)cc1 2325776485 QSUCARMMWLZGNY-SFHVURJKSA-N 347.353 2.934 30 50 EFEA O/C(=N/C1CC=CC1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 328620166 GTRXCYAMUIHWMF-INIZCTEOSA-N 342.443 2.768 30 50 EFEA N#Cc1ccc(N2CCC(NC[C@H]3CCC[C@@H](CO)C3)CC2)cc1 367675259 XSQYSFOKKYHHCJ-ZWKOTPCHSA-N 327.472 2.915 30 50 EFEA CN(C)c1ccc(-c2c(C#N)c(N)nc3c2Cc2cc(O)ccc2-3)cn1 71775769 YTCUJPAONPCRNU-UHFFFAOYSA-N 343.390 2.940 30 50 EFEA C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)Nc1ccn(CCC#N)n1 284504268 DPROJHIGXBYCFX-NVXWUHKLSA-N 337.427 2.503 30 50 EFEA CC(C)n1cc([C@@]2(O)CCCN(c3cc(Cl)ccc3C#N)C2)nn1 284545301 NIDIMKIVAAHUFV-QGZVFWFLSA-N 345.834 2.872 30 50 EFEA C=C(C)CN(CC)C(=O)c1cc(=O)cc(C(=O)N(CC)CC(=C)C)o1 408524024 WYNZETSXSYNNAI-UHFFFAOYSA-N 346.427 2.716 30 50 EFEA C=C1CC(C)(c2noc([C@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)n2)C1 896916500 XXWKIBRWBTVGKY-GJZGRUSLSA-N 343.427 2.586 30 50 EFEA CC(C)c1nc(Cn2ccc3nc(O)c(C#N)cc3c2=O)cs1 67588389 WGIWEEDBZQVPJR-UHFFFAOYSA-N 326.381 2.602 30 50 EFEA O/C(=N/Cc1ccc(OC2CCCC2)nc1)N[C@@H]1CCO[C@@H]1C1CC1 328586235 MWRCCKAIHOQVQK-SJLPKXTDSA-N 345.443 2.974 30 50 EFEA C=CCn1cc(CN2CC[C@]3(CCCN(C4CCCC4)C3=O)C2)cn1 92020758 BQNZNZCIBVEPCU-HXUWFJFHSA-N 342.487 2.826 30 50 EFEA CCC#CCN1CCC2(CC1)CC(=O)N(Cc1cccc(OC)c1)C2 95502325 IFAULEXPCZINTA-UHFFFAOYSA-N 340.467 2.923 30 50 EFEA CC(C)[C@@H](CNC(=O)c1cccc(C#CC(C)(C)O)c1)N1CCCC1 670469961 MGUVUCPCJSHCHK-LJQANCHMSA-N 342.483 2.659 30 50 EFEA Cc1ccc(-n2nc(N[C@H](C)C(=O)N(C)CCC#N)cc2C)cc1 188651062 NKFLATBAXQADJQ-OAHLLOKOSA-N 325.416 2.662 30 50 EFEA N#Cc1cc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)ccn1 193070307 LFCVHMMTLSJIIR-UHFFFAOYSA-N 336.326 2.720 30 50 EFEA CCOc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)ccc1OC 449377 KWGAUCRSKALJOI-LDADJPATSA-N 348.424 2.715 30 50 EFEA CN1C(=O)/C(=N\Nc2ccccn2)c2cc(Br)ccc21 15015399 HVFIBVJNPHCORR-AQTBWJFISA-N 331.173 2.637 30 50 EFEA CCc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@H](C#N)C1 1857672592 GYWPAWDIYWDMNV-LLVKDONJSA-N 327.413 2.538 30 50 EFEA C=CCn1cc(CN2CCO[C@@H](Cc3cccc(OC)c3)C2)c(C)n1 20450329 IGJGSAZJJMDHGY-FQEVSTJZSA-N 341.455 2.830 30 50 EFEA OCCN1CCCC[C@@H]1C/N=C(/O)c1cc(F)c(Cl)cc1F 331291567 BKWIGFYIBTZJFH-SNVBAGLBSA-N 332.778 2.770 30 50 EFEA Cc1cc(C)cc(OCC(=O)N2CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 278527862 DPXYXWVRFDZRAO-ROUUACIJSA-N 341.455 2.519 30 50 EFEA CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CC#N)C[C@H]1c1cccc(F)c1 497211180 RLIFNINHVCPBOB-LSDHHAIUSA-N 347.390 2.558 30 50 EFEA C=CCN(Cc1ccccn1)c1ncnc2sc3c(c12)CCNC3 65465189 FFUAFQYFHUCAML-UHFFFAOYSA-N 337.452 2.925 30 50 EFEA COc1cc(OC)c2ncc(C#N)c(NC[C@](C)(O)CSC)c2c1 281105229 FSLVTISCHNEEGM-KRWDZBQOSA-N 347.440 2.650 30 50 EFEA C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@H](C(=O)OCC)C1 252497283 QCXMTDDJBZNXNY-AWEZNQCLSA-N 344.415 2.894 30 50 EFEA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NCc2cc(C#N)cs2)nn1 328605934 PUWUXQVOAFFFSD-LSDHHAIUSA-N 345.472 2.712 30 50 EFEA Cc1nc(N(C)CCCN2CCCCCC2)c(C#N)cc1C(=O)O 1529173805 PYBQOUSKYNRVBS-UHFFFAOYSA-N 330.432 2.662 30 50 EFEA C=CCC1(CC=C)CCCCN1C(=O)c1cn(C[C@@H]2CCCO2)nn1 11874121 VQWPTRHACYVHFQ-INIZCTEOSA-N 344.459 2.974 30 50 EFEA COc1cccc(/C=N/N2CCN(Cc3ccccc3)CC2)c1O 19771519 IOCOXTBWILMNFL-XSFVSMFZSA-N 325.412 2.553 30 50 EFEA Cc1cc(C#N)nc(N2C[C@@H](CO)[C@H](c3ccc(Cl)cc3)C2)n1 377979379 XBTNDCYXGZZGJM-BBRMVZONSA-N 328.803 2.522 30 50 EFEA COCCC1(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)CCC1 160078288 BMYMFQMMKICLAA-SFHVURJKSA-N 341.455 2.602 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H](c2ccccc2)c2ccn(C)n2)N=N1 1875368800 QMHQJTMWSITIGM-SFHVURJKSA-N 335.411 2.981 30 50 EFEA Cc1cc(OCC(=O)Nc2ccc(CC#N)cc2)ccc1[N+](=O)[O-] 94672 BJYVUJUKJIDKCX-UHFFFAOYSA-N 325.324 2.987 30 50 EFEA CC(=O)[C@H]1C(=O)c2ccccc2/C1=N/N=C/c1ccc([N+](=O)[O-])cc1 100658955 ONBYYVQNVSXIPG-CIABMETPSA-N 335.319 2.820 30 50 EFEA C[C@H]1Cc2cc(/C=N\Nc3ncc(F)c(N4CCCC4)n3)ccc2O1 226095041 VDTIDGDJDILONR-INEXWVMZSA-N 341.390 2.985 30 50 EFEA Cc1nn(COCC[Si](C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 206497011 KERWYBKIAHNWRQ-UHFFFAOYSA-N 338.333 2.803 30 50 EFEA N#CCCn1cnc2c(cnn2Cc2ccc(Cl)cc2Cl)c1=O 126459140 DOOAFBQTZUEYFS-UHFFFAOYSA-N 348.193 2.862 30 50 EFEA C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(S(N)(=O)=O)cc1 345694262 QPWOAEPIYNXCNQ-UHFFFAOYSA-N 344.436 2.553 30 50 EFEA N#Cc1ccc(Oc2cccc(C(=O)N3C[C@@H](F)C[C@H]3CO)c2)cc1 347438063 MIYYJQHORIEYBS-HOTGVXAUSA-N 340.354 2.895 30 50 EFEA CNC(=O)/C(=N\OC)c1ccccc1COc1cc(C)ccc1C 25759157 WXUZAHCNPWONDH-UZYVYHOESA-N 326.396 2.979 30 50 EFEA O=C1C[C@@H](CC(O)=Nc2cnc3c(Br)cccn23)CO1 328591734 CHJALZGMYAUXSW-MRVPVSSYSA-N 338.161 2.638 30 50 EFEA Cc1ccncc1N=C(O)N1CC[C@H](Oc2cccnc2N(C)C)C1 328627794 NCXOVPJTFJQHJL-AWEZNQCLSA-N 341.415 2.550 30 50 EFEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)Nc2cnccc2C)cn1 328626276 LMLNRXKKSCFLDF-GOEBONIOSA-N 329.404 2.853 30 50 EFEA N#Cc1c(F)cccc1Nc1cnn(Cc2nnc3n2CCCC3)c1 277996312 XDGDOYJLNMRJCS-UHFFFAOYSA-N 337.362 2.614 30 50 EFEA CN(C/C=C/C(=O)NC1(c2cccc(C#N)c2)CC1)CC(F)(F)F 408518022 SBKRAVVSHZXGHZ-ZZXKWVIFSA-N 337.345 2.714 30 50 EFEA CCOc1ccc2nc(N/C(N)=N/C(=O)c3ccccc3)nc(C)c2c1 18121755 OVTVEDPYLGMCKU-UHFFFAOYSA-N 349.394 2.904 30 50 EFEA N#Cc1cc2c(nc1NCc1nnc([C@@H]3CCCOC3)o1)CCCC2 886079425 XURFDOSTUXYLDF-CYBMUJFWSA-N 339.399 2.721 30 50 EFEA COc1cccc2c1OCCCN(Cc1cc(C#CCO)cs1)C2 65456268 DZHZXEZDWNMQDQ-UHFFFAOYSA-N 343.448 2.885 30 50 EFEA C[C@H](CO[C@@H]1CCOC1)Nc1ccc(C#N)cc1Br 120062527 OSJIZBFAVZKUQB-ZYHUDNBSSA-N 325.206 2.927 30 50 EFEA CC#CC(=O)NCc1ccc(Oc2c(OC)cccc2OC)nc1 252482554 DIZDEBOOTOFYDR-UHFFFAOYSA-N 326.352 2.531 30 50 EFEA C=CCn1c(CN2CCC3(CC2)COC(=O)O3)nc2ccccc21 216177707 GFDPQUGKRWFYQU-UHFFFAOYSA-N 327.384 2.724 30 50 EFEA Cc1cnc(/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cn1 328630248 PQULTBLZRPODKU-JTQLQIEISA-N 339.321 2.568 30 50 EFEA C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1Cc1ccc(Cl)cc1C#N 284746119 JECGVAZOERIUPR-SQNIBIBYSA-N 334.847 2.964 30 50 EFEA C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)C[C@]1(C)[C@@H](O)CCC(=C)[C@@H]21 256414170 FDDKULNHLFGRDK-DNNFFJFJSA-N 346.423 2.699 30 50 EFEA biogenic N#Cc1cnc(N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)cn1 280128784 AZKRYEKASGZONM-RISCZKNCSA-N 334.301 2.679 30 50 EFEA CCCCc1nnc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)o1 194804021 DEJPBUANXDHYQW-UHFFFAOYSA-N 340.792 2.738 30 50 EFEA CCn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)[C@@H]1C[C@@H]1c1cccnc1 328627361 MSJUFVBPBNRVFX-WCVJEAGWSA-N 326.400 2.888 30 50 EFEA CC(=O)N1C[C@H](NCc2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F 886031153 ZICFGEYNZZVWIZ-HUUCEWRRSA-N 325.334 2.590 30 50 EFEA Cc1ccccc1O[C@H](C)C(=O)O/N=C(\N)c1cccc([N+](=O)[O-])c1 4832056 MQMQHIOKOFCQAY-GFCCVEGCSA-N 343.339 2.534 30 50 EFEA CC1(C)C[C@@]1(C#N)NS(=O)(=O)c1ccc(F)c(Br)c1 290966476 PFFORYOZSFYQPV-LBPRGKRZSA-N 347.209 2.559 30 50 EFEA N#Cc1ccc(NCCCO[C@H]2CCOC2)c(Br)c1 120100280 OMMQSAMRFBGANO-LBPRGKRZSA-N 325.206 2.928 30 50 EFEA C=CCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2cc(Cl)ccc21 5272618 QWDJUPRVDFLZQA-GOSISDBHSA-N 342.782 2.728 30 50 EFEA C=CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCCCC 2303018 QHNYCVQHCOYENP-UHFFFAOYSA-N 347.463 2.772 30 50 EFEA C=CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1Br 8722954 DQQGEOJMHGRMIT-GFCCVEGCSA-N 340.217 2.923 30 50 EFEA CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 249723473 DWQGQZCNDFLGAB-BFHYXJOUSA-N 349.228 2.786 30 50 EFEA CC(=O)NCc1ccc([C@@H]2CCCN2c2nc3ccccn3c2C#N)o1 240412659 FNPDMURKTCYWJQ-HNNXBMFYSA-N 349.394 2.777 30 50 EFEA CO[C@@H]1[C@H](C)[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1(C)C 170591828 JMBCIDVLICXACS-OWYVNGRQSA-N 342.848 2.549 30 50 EFEA C=CCN1C[C@H](C)N(C(=O)CC(=O)Nc2cccc(C)c2C)C[C@@H]1C 1616096590 IABIDVRBXDQZHA-HOTGVXAUSA-N 343.471 2.739 30 50 EFEA CCN(CC)C(=O)CN1CCCN(c2ccc(Cl)cc2C#N)CC1 301200441 PEYUJJYZVBETTD-UHFFFAOYSA-N 348.878 2.592 30 50 EFEA Cc1nsc(NC(=O)N2CC3(CCOCC3)[C@@H]2C(C)C)c1C#N 333943570 RDBRQNYLDBGGOH-ZDUSSCGKSA-N 334.445 2.992 30 50 EFEA Cn1ccnc1[C@@H](C#N)C(=O)CCc1ccc(Br)cc1 888099794 XWBMZWXPYZNDMJ-ZDUSSCGKSA-N 332.201 2.992 30 50 EFEA Cc1cc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)Nc2ccsc2)on1 328631949 LABATJWLWSDRBI-AAEUAGOBSA-N 338.408 2.983 30 50 EFEA N#Cc1c[nH]c(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)c1 952987029 NDQXQZWXJAPKEW-KRWDZBQOSA-N 339.395 2.587 30 50 EFEA C#CCN1C(=O)[C@@](O)(CC(=O)c2cc(C)ccc2C)c2ccccc21 316525 PIJNIYSFMMINLI-OAQYLSRUSA-N 333.387 2.744 30 50 EFEA COc1ccc(C(=O)C[n+]2ccccc2-c2ccccn2)cc1OC 4542453 PAWPKMFIHFGVML-UHFFFAOYSA-N 335.383 2.936 30 50 EFEA Cc1c(Cl)cnc(N2CCC([C@@H](O)c3ncc[nH]3)CC2)c1C#N 365055848 NRNWXHPYGMUBNF-CQSZACIVSA-N 331.807 2.588 30 50 EFEA N#Cc1cnc(N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cn1 241897376 TYFVQYWGJJSTPI-GFCCVEGCSA-N 347.300 2.584 30 50 EFEA C=CCN1C(=O)/C(=C2/C(=O)Nc3ccc(OCC)cc32)SC1=S 12436903 NWUWWDIAKIYDDY-SEYXRHQNSA-N 346.433 2.795 30 50 EFEA CCN(CC(=O)O)C1CC(/N=C(/O)C2(c3cccc(F)c3)CC2)C1 328629253 IBIIPAROSUUODL-UHFFFAOYSA-N 334.391 2.751 30 50 EFEA C#CCCC1(CCC(=O)Nc2ccc(CN3CCOC3=O)cc2)N=N1 2325892182 DCMNASXQLVBBOA-UHFFFAOYSA-N 340.383 2.933 30 50 EFEA C=CCOc1ccc(CN2CCC(C(N)=O)CC2)c(OCC=C)c1 55392871 IAARHIXJQGKSDH-UHFFFAOYSA-N 330.428 2.514 30 50 EFEA COc1ccc(N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=N)cc1 119264858 HTSCLTLBQUIIDG-UHFFFAOYSA-N 348.406 2.859 30 50 EFEA N#Cc1ccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cn1 72433715 SHUCLZYYVOYAIT-UHFFFAOYSA-N 349.419 2.525 30 50 EFEA CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)O[C@H]1CCC[C@@H]1C#N 242001138 VDEGCWKBKNQQAB-UTUOFQBUSA-N 326.418 2.532 30 50 EFEA COc1ccc(COC(=O)c2ccc(CNC(C)=O)cc2)cc1C#N 746976361 ORLHPEQJIZIAHQ-UHFFFAOYSA-N 338.363 2.560 30 50 EFEA CN(C)c1noc(CN2CCC[C@H]2/C(O)=N/CC2CCCCC2)n1 330031598 ATFWHSUSMUXVGM-AWEZNQCLSA-N 335.452 2.637 30 50 EFEA Cc1ccc2ncc(C#N)c(N3CCN([C@H]4CCCN(C)C4)CC3)c2c1 368194990 UHCXJKNQEQMTMY-SFHVURJKSA-N 349.482 2.631 30 50 EFEA C=CC(=O)N1CCCc2cc(C(=O)N[C@H](C#N)CC(C)C)ccc21 1875302991 QIAFNKVLTKQALS-INIZCTEOSA-N 325.412 2.820 30 50 EFEA COc1ccc(CNC(=O)N2CC[C@H](c3nccs3)C2)cc1C#N 883526205 GWSSYWLRAQTLET-ZDUSSCGKSA-N 342.424 2.722 30 50 EFEA C#CCCS(=O)(=O)N[C@@H]1CC[C@@H](C)C[C@H]1OCc1ccccc1 2325823107 FIXHOWLNCVXXTN-KBAYOESNSA-N 335.469 2.703 30 50 EFEA Cc1ccc(S(=O)(=O)/N=C(\CN2CCCC2)N2CCCCC2)cc1 20367984 DDZUKMVTBXECFJ-VHEBQXMUSA-N 349.500 2.664 30 50 EFEA C[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 347992339 OYMXCQAJUPPSEM-CZUORRHYSA-N 343.390 2.994 30 50 EFEA COC(=O)[C@H]1C[C@@H](O)CCN1Cc1ccccc1C#Cc1ccccc1 65372462 YKEDYXNHOZCCMK-LEWJYISDSA-N 349.430 2.585 30 50 EFEA CCOC(=O)c1cnc(N=C(O)/C=C/c2ccc(OC)c(OC)c2)[nH]1 328591519 RRLCZYQVLXFILU-SOFGYWHQSA-N 345.355 2.905 30 50 EFEA COc1cccc(COC[C@@H](O)CN(C)c2ccc(C#N)cc2)c1 328597972 JTYMZQLIJDWPHG-SFHVURJKSA-N 326.396 2.581 30 50 EFEA CC1(C)OCC[C@@H]1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 333052277 GWOWUBONIJSCLA-KRWDZBQOSA-N 345.418 2.597 30 50 EFEA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(c2c(F)cc(C#N)cc2F)C1 284608071 RQVIAKYDSCXIIQ-RISCZKNCSA-N 345.353 2.798 30 50 EFEA CCCc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)cc1 32578337 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2.914 30 50 EFEA CN(C)C[C@]1(O)CCCN(Cc2ccc(-c3ccccc3C#N)o2)C1 72453904 CYFHHUWLXXYBQU-HXUWFJFHSA-N 339.439 2.707 30 50 EFEA CCC(=O)N1CC(=O)N(c2ccccc2C#N)C[C@H]1Cc1ccccc1 82098493 IGCVZHQEHRUDOZ-GOSISDBHSA-N 347.418 2.755 30 50 EFEA CCn1cc(CN(CCOC)C(=O)Nc2ccc(C)c(C#N)c2)cn1 96163187 QCKQLNHKQDUDLH-UHFFFAOYSA-N 341.415 2.764 30 50 EFEA N#Cc1ccccc1-c1ccc(C(=O)NCCN2CCCC2=O)cc1 426399134 ACISFXDWEJGDEC-UHFFFAOYSA-N 333.391 2.577 30 50 EFEA C=CC[C@]1(CO)CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 91779622 RIJKALLYHJSVLB-HNNXBMFYSA-N 347.839 2.818 30 50 EFEA Cc1ccc(C(=O)NC[C@@H](C)CN=c2c(C#N)c[nH]c3ccccc23)[nH]1 1875334131 ZPQSFAADPDNQTE-ZDUSSCGKSA-N 347.422 2.643 30 50 EFEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2ccccc2F)cc1 1565525291 CNMYNELOVNYKNA-ROUUACIJSA-N 340.354 2.664 30 50 EFEA O=C1N/C(=N\N=C\c2cccc([N+](=O)[O-])c2)S[C@H]1c1ccccc1 5684864 CEESHTXCKMMXKD-FBJMNJBLSA-N 340.364 2.889 30 50 EFEA Cc1cccc([C@@H]2C[C@@H]2C(=O)[C@H](C#N)C(=O)NCCCOC(C)C)c1 248114909 UMUYVXFOSKOUFD-BZSNNMDCSA-N 342.439 2.739 30 50 EFEA CCN(C[C@@H](C)C#N)C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 229386986 DUNSIKNNUVUKSC-GJZGRUSLSA-N 330.432 2.925 30 50 EFEA CC[C@H](C)c1ccc(S(=O)(=O)N/N=C/c2cccc(O)c2O)cc1 17072383 AEGMUUZUZFSSQO-HWQJWEFDSA-N 348.424 2.924 30 50 EFEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1C[C@H]1OCC(=O)[C@@]12O 252496460 PIVUIBWKOVQVES-WLSXKUEDSA-N 344.451 2.827 30 50 EFEA C=CCN1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CCC1=O 11999984 YWVYOAIFSVETRM-UHFFFAOYSA-N 332.831 2.619 30 50 EFEA N#Cc1ccccc1NC(=O)CSc1nc(-c2ccco2)n[nH]1 15919236 XQYGCLPODCOLRJ-UHFFFAOYSA-N 325.353 2.667 30 50 EFEA CCN(CC)c1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1 3526546 UWHPKEFYWVNAPO-NBVRZTHBSA-N 331.441 2.845 30 50 EFEA CC(C)(C)OC(=O)N1CCN(Cc2cccc(C#N)c2F)[C@H](C#N)C1 408516440 CYTZWDRFIFPINI-OAHLLOKOSA-N 344.390 2.642 30 50 EFEA C#CCCC1(CCC(=O)N2Cc3ccc(C(=O)OC)cc3C2)N=N1 2325892550 RMRRKRSCOWWAHU-UHFFFAOYSA-N 325.368 2.671 30 50 EFEA C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)c1cccnc1C#N 318401811 JIXHYWLHEJMZSO-NSHDSACASA-N 335.816 2.988 30 50 EFEA CCO[C@@H]1C[C@H](/N=C(/O)N2CCC(C(F)F)CC2)[C@@]12CCCO2 329556593 HLFXIOKLJHCZHE-ZENOOKHLSA-N 332.391 2.604 30 50 EFEA CC#CC(=O)N(Cc1cccc(Br)c1)C1CCOCC1 330032368 MHZKQXCVNJWUQX-UHFFFAOYSA-N 336.229 2.980 30 50 EFEA COc1ccc(-c2cc(C3CC3)nc(N)c2C#N)cc1OCC(=O)O 71765281 NQWHOYOJJAZHTD-UHFFFAOYSA-N 339.351 2.552 30 50 EFEA CC(=O)N1CCCCC[C@@H]1C1CCN(c2ccncc2C#N)CC1 368418458 WZNNIHUEQKOMPA-LJQANCHMSA-N 326.444 2.961 30 50 EFEA N#Cc1ncccc1NCC1CCN(C[C@H](O)c2ccccc2)CC1 377981948 GGBHJFMJAZLIAU-FQEVSTJZSA-N 336.439 2.811 30 50 EFEA COc1c(Br)ccc(F)c1B1OC(C)(C)C(C)(C)O1 642814801 XWKYQMRVZYFAQL-UHFFFAOYSA-N 330.990 2.896 30 50 EFEA C=CCCN(C)C(=O)C1(c2ccccc2)CCN(C(=O)C=C)CC1 847861116 URKUMYDZSPANRN-UHFFFAOYSA-N 326.440 2.767 30 50 EFEA O=C1CCCC2=C1[C@H](c1ccccc1OC(F)F)n1ncnc1N2 223040 IVCGVCTZDOQZAF-AWEZNQCLSA-N 332.310 2.902 30 50 EFEA COC(=O)c1ccn(CSc2nc(C(F)F)cc(C)c2C#N)n1 6527928 YMOVJVWJYPMSMP-UHFFFAOYSA-N 338.339 2.932 30 50 EFEA C#CCSCCOC(=O)[C@H]1CC(=O)N(c2ccccc2CC)C1 253424287 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3196705 XBJKTLIZUFKALX-LZYBPNLTSA-N 339.760 2.646 30 50 EFEA COc1cccc(OCCOc2ccc(/C=N/n3cnnc3)cc2)c1 2969821 HSZWSAHGSQBUDS-CIAFOILYSA-N 338.367 2.627 30 50 EFEA N#Cc1ccc(OC2CCC(Nc3ncnc(N)c3Cl)CC2)nc1 225484169 MOONMCYFXYSYGP-UHFFFAOYSA-N 344.806 2.781 30 50 EFEA CC1(C)OB(c2ccc(F)cc2C(=O)NCc2ccco2)OC1(C)C 170004103 ZSHNDEXBHBAWTE-UHFFFAOYSA-N 345.179 2.648 30 50 EFEA N#Cc1cnn(-c2ccccc2)c1N=C(O)CN[C@H]1CCC[C@H]1C#N 328593507 CPKHXFGMNRWXFO-BBRMVZONSA-N 334.383 2.614 30 50 EFEA Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 328618741 DZWVEEBIAUQDCN-HKUYNNGSSA-N 334.423 2.685 30 50 EFEA Cc1nc2c(s1)CCC[C@@H]2CN(C)/C(O)=N/Cc1c[nH]nc1C 328621893 IAVDHMNQOQUIQX-GFCCVEGCSA-N 333.461 2.949 30 50 EFEA N#Cc1ccc(OC2CN(C(=O)c3cccc([C@H]4CCOC4)c3)C2)cc1 363952200 ZJWMZGSQJDZJAI-SFHVURJKSA-N 348.402 2.966 30 50 EFEA CCOc1cc(/C=N/n2c(S)nnc2C(F)(F)F)ccc1O 351243 XDQHVQRTGOYWNW-OMCISZLKSA-N 332.307 2.572 30 50 EFEA CCOC(=O)[C@@H](c1nc(Br)sc1C)N(C)CCC#N 857706317 MBGFNXLFLPLPRG-SNVBAGLBSA-N 346.250 2.664 30 50 EFEA Cc1ccc(C(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)cc1C 18173071 XTFFNVQVMFCQOX-UHFFFAOYSA-N 327.340 2.883 30 50 EFEA CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 13540545 LCZBQMKVFQNSJR-UJPCIWJBSA-N 346.467 2.809 30 50 EFEA biogenic,in-vitro N#C[C@H]1CCC[C@H](Nc2ccc(F)c(N3CCCS3(=O)=O)c2)C1 252494264 NQCKRRGRRVTPQH-STQMWFEESA-N 337.420 2.860 30 50 EFEA C=CCN(C)C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 154023416 XJJPDZDQEPEPMO-UHFFFAOYSA-N 332.444 2.879 30 50 EFEA COc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)c(OC)c1 22608025 PHGUCKHXFCGNES-BMLIUANNSA-N 340.383 2.563 30 50 EFEA O=c1ccc2cc(N/C(O)=N/[C@@H]3c4ccccc4C[C@H]3O)ccc2o1 328586508 WLZGPGDEPCEJIU-CRAIPNDOSA-N 336.347 2.777 30 50 EFEA Cn1cc(C#N)cc1C(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 377561244 IFADKSBIGOTFRM-CQSZACIVSA-N 339.399 2.915 30 50 EFEA Cc1nn(C)cc1-c1c(C)c(-c2ccc3c(c2)OCO3)nc(N)c1C#N 71712062 ZMFYSKIBZORHNC-UHFFFAOYSA-N 347.378 2.949 30 50 EFEA c1ccc([Si](c2ccccc2)(c2ccccc2)[C@H]2C[C@]23CO3)cc1 169833390 KKZITRSIIVACAG-VXKWHMMOSA-N 328.487 2.700 30 50 EFEA C#CCCC1(CCNC(=O)[C@@H]2C[C@@H]2OCc2ccc(OC)cc2)N=N1 2325900312 TTWJGCZKXOPYQV-SJORKVTESA-N 341.411 2.682 30 50 EFEA CC[C@H](C/N=C(/O)N1C[C@@H](C)O[C@@H](C(=N)O)C1)Oc1cccc(C)c1 328588183 YUPJKUGAFQPWEW-IIAWOOMASA-N 349.431 2.691 30 50 EFEA CCn1ccnc1CN(Cc1ccc(C#N)cc1)[C@H]1CC12CCNCC2 435691130 DYQGBNUKBHEQQK-IBGZPJMESA-N 349.482 2.919 30 50 EFEA Cc1n[nH]c(C)c1-c1cc(-c2ccc(N(C)C)nc2)c(C#N)c(N)n1 71776937 XKUBQHVEVRUNPD-UHFFFAOYSA-N 333.399 2.670 30 50 EFEA COCc1n[nH]c([C@H]2CCCCN2Cc2ccc(C#N)cc2F)n1 289017623 GASCSZYOOFPRAM-OAHLLOKOSA-N 329.379 2.689 30 50 EFEA C[C@@H]1CN(C(=O)CC2=C(c3ccccc3)CCC2=O)CC[C@]1(C)O 91535965 FADUDTOBGJXSNR-VLIAUNLRSA-N 327.424 2.813 30 50 EFEA N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3ccncc3)CC2)cc1 952992587 PJGGKGPRKHXWDA-INIZCTEOSA-N 341.436 2.912 30 50 EFEA COCCC(C)(C)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 277535102 HTOZEBBRXIVAOF-UHFFFAOYSA-N 349.862 2.923 30 50 EFEA COc1cc(/C=N/N2CCN(c3ccccc3)CC2)cc(OC)c1O 232137 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O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccc1)c1ccccc1 4815965 SIGRKHFIAKDQIG-KRWDZBQOSA-N 337.375 2.647 30 50 EFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1F 2746546 CXDPJJZZJYBCJT-CQSZACIVSA-N 331.343 2.680 30 50 EFEA N#C[C@H]1CN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)CCN1C1CC1 361201001 LPYWAZXBOODFDY-INIZCTEOSA-N 338.386 2.633 30 50 EFEA C[C@@H](c1nc(C2CC2)no1)N1CC[C@@H](CNc2ncccc2C#N)C1 222203208 FCANELVTWRYIEO-STQMWFEESA-N 338.415 2.709 30 50 EFEA O=S(=O)(O)CCCN1CCS/C1=C/C=Nc1ccccc1 254590730 DMMOMOLSKPDLPY-HOEVUHEGSA-N 326.443 2.557 30 50 EFEA Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)CSCC#N)C1 171012347 CVDYPDMDRYTIRT-ZDUSSCGKSA-N 337.876 2.848 30 50 EFEA O=[N+]([O-])c1cccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c1 289025 RBCXRZVKYGNPSL-OQLLNIDSSA-N 339.760 2.561 30 50 EFEA COC(=O)[C@@H](CCC(C)C)NC(=O)c1ccc(C2(C#N)CC2)cc1 2325782348 QXLVGBIPBZIUCH-MRXNPFEDSA-N 328.412 2.949 30 50 EFEA N#CCCCOc1cccc(CN2CC(=O)N[C@H]3CCCC[C@H]32)c1 230090703 YSJFSVMCDYGIJY-ZWKOTPCHSA-N 327.428 2.612 30 50 EFEA N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)CC[C@H]1CCCO1 252487142 SMZCDDMTOJBZRA-KURKYZTESA-N 348.468 2.657 30 50 EFEA Cn1cc(C#N)cc1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 81030588 CPPNFHHVVRIOBK-INIZCTEOSA-N 325.368 2.707 30 50 EFEA Cc1cc(C#N)c(N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)nc1C 91663877 BYVJUJZHTZGTGN-FQEVSTJZSA-N 338.455 2.799 30 50 EFEA C=CCNC(=O)[C@@H]1CCCN1c1nc(C)c2cc(OCC)ccc2n1 12097782 VYXSKFMQPBGTFG-KRWDZBQOSA-N 340.427 2.608 30 50 EFEA CN1C[C@@H](N/C(O)=N/Cc2cc(Cl)sc2Cl)CCC1=O 330652415 YQINPSVKNVSBCG-QMMMGPOBSA-N 336.244 2.679 30 50 EFEA CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccc([N+](=O)[O-])c1 18190362 YQTJKLSAHMCRNY-OAHLLOKOSA-N 339.355 2.844 30 50 EFEA Cc1c(C#N)c2ccccc2n1CC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2100542902 JSCPWYZQIPWTSR-PHZGNYQRSA-N 337.423 2.583 30 50 EFEA COC[C@@H](C)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 342606233 KFVBTCGKOCLMBL-CYBMUJFWSA-N 349.862 2.969 30 50 EFEA Cc1cccc2c(CCNC(=O)C3=CC(=O)CC(C)(C)O3)c[nH]c12 67934228 RVCYKJQNLCIRBC-UHFFFAOYSA-N 326.396 2.787 30 50 EFEA N#Cc1ccc(N2C[C@H](O)C[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 253417126 VNYDCQIVMDKKNV-GDBMZVCRSA-N 327.315 2.918 30 50 EFEA N#C[C@H]1CN(c2nc3ccccc3o2)C[C@]12C(=O)Nc1ccccc12 242339153 ZFJKBCHTZVBIBO-BUXKBTBVSA-N 330.347 2.678 30 50 EFEA C#CCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 39953891 BTHZEMFPZILBCR-UHFFFAOYSA-N 335.359 2.955 30 50 EFEA C=CCCN1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 77539643 XGSAHXITZSSVFD-HXUWFJFHSA-N 327.472 2.905 30 50 EFEA Cc1cc(N2CCC(NCc3cc(C#N)cs3)CC2)nc(C)n1 178615106 QPFYHYZNTUEALC-UHFFFAOYSA-N 327.457 2.785 30 50 EFEA CCCCNC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC 712327079 OEHNHGXWXNRCTR-UHFFFAOYSA-N 348.252 2.916 30 50 EFEA CNC(=O)CC1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 126139564 PYPCJCMUWKZNCQ-UHFFFAOYSA-N 325.334 2.930 30 50 EFEA N#Cc1cccc(C2(NC(=O)c3cc(O)nc4c3CCCC4)CC2)c1 935026755 QQXQDCYDKNEIOD-UHFFFAOYSA-N 333.391 2.957 30 50 EFEA N#Cc1c[nH]c(C(=O)N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)c1 225403959 OMXUIYKWLAXDAD-ABAIWWIYSA-N 349.312 2.853 30 50 EFEA COC(=O)c1cc(N=C(O)N2CCC[C@H](C(=N)O)C2)cc(C)c1C 330545998 PLXLEGJLDMBYIO-LBPRGKRZSA-N 333.388 2.883 30 50 EFEA C[C@H](N[C@@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc(C#N)c1 282248065 MQQGBJCVCQFNEN-QFBILLFUSA-N 349.434 2.889 30 50 EFEA N#Cc1ccccc1N1CCC(CNC(=O)[C@H](O)c2ccccc2)CC1 371059215 LSAVDLBBVQBAJX-HXUWFJFHSA-N 349.434 2.624 30 50 EFEA CN1CCN(c2c(F)cc(C#N)cc2F)C[C@H]1c1nc(C2CC2)no1 284675338 WUFGXBGRLTZODF-AWEZNQCLSA-N 345.353 2.590 30 50 EFEA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cc(F)c(C#N)c(F)c3)n[nH]c21 1875294004 KGQVVKXVWRGMIK-BDAKNGLRSA-N 346.337 2.512 30 50 EFEA N#C[C@@H]1CC[C@H](NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 170598053 XWZFQZTYFHXDQT-KOLCDFICSA-N 340.210 2.532 30 50 EFEA CCC(=O)/N=C(/Nc1ccc(OC)cc1)Nc1nc(C)cc(C)n1 2291719 NGSOHACVLXMUCO-UHFFFAOYSA-N 327.388 2.919 30 50 EFEA C=CC[C@H](CC)NC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C 253427456 UGRQCDSDRAQSHR-BQFCYCMXSA-N 330.476 2.946 30 50 EFEA C[C@H](NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21)c1ccc(C#N)cc1 230192262 VVHBBJCFOCYYGN-JCGIZDLHSA-N 326.444 2.745 30 50 EFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 43652 KHXXSRQFMCCVNF-AWEZNQCLSA-N 331.343 2.680 30 50 EFEA COC(=O)c1cccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)c1 67872845 XPVXITLRWCRHEC-XJKSGUPXSA-N 348.406 2.680 30 50 EFEA Cc1noc([C@H](/N=C(/O)[C@@H]2COc3ccccc32)C2CCOCC2)n1 328614165 VODZWYMNTIPASC-GDBMZVCRSA-N 343.383 2.978 30 50 EFEA Cn1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c2ccccc21 245226973 UPHRIRMXYZVLDE-IJPPCXMXSA-N 345.402 2.565 30 50 EFEA COc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccccc2)c(OC)c1 6493610 XTXTUOMOZCUZJL-INIZCTEOSA-N 339.347 2.570 30 50 EFEA COCc1nc([C@@H]2CCCCN2Cc2cc(C#N)ccc2OC)n[nH]1 408473724 KLNHQLBEBDNLIW-HNNXBMFYSA-N 341.415 2.559 30 50 EFEA Cc1noc([C@H](/N=C(/O)c2cccc(C#N)c2)C2CCOCC2)n1 328614464 WESFQGNDRILULD-OAHLLOKOSA-N 326.356 2.722 30 50 EFEA CC1(C)OB(CC(=O)c2ccc(N3CCOCC3)cc2)OC1(C)C 170006266 JVRHANVQIUTXOU-UHFFFAOYSA-N 331.221 2.798 30 50 EFEA CC(C)c1cc(-c2ccc(OCC(N)=O)c(Cl)c2)c(C#N)c(N)n1 67772382 QPKXUYZCSQXCII-UHFFFAOYSA-N 344.802 2.843 30 50 EFEA CC[C@@H](OC1CCCC1)/C(O)=N/C1CC(N(CC)CC(=O)O)C1 328622663 BLNRRLMYBHFVBL-SSDMNJCBSA-N 326.437 2.618 30 50 EFEA COc1cccc([C@@H]2O[C@@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@H]3C)c1 138034814 NTIDUYYKZFRVAA-VHWLVUOQSA-N 336.351 2.670 30 50 EFEA Cc1ccc(CS(=O)(=O)N(CCC#N)Cc2cccnc2)cc1F 183998209 TVOTVTFRAWZRQW-UHFFFAOYSA-N 347.415 2.775 30 50 EFEA C=CCN1CCC[C@H]1C(=O)NC1CCN(c2cccc(C)c2)CC1 670460138 NRJMMCNYDWXNBM-IBGZPJMESA-N 327.472 2.730 30 50 EFEA CCc1nnc(C[C@@H]2CC[C@H](NCc3cc(C#N)n(C)c3C)C2)o1 952889957 IUUHGFNGZDERFS-HIFRSBDPSA-N 327.432 2.652 30 50 EFEA Cc1noc([C@H]2OCC[C@H]2CNc2ncc(Cl)c(C)c2C#N)n1 888078656 HYSCVKHLJDEHHP-GWCFXTLKSA-N 333.779 2.796 30 50 EFEA Cc1nc(NC[C@@H]2CCO[C@@H]2c2nc(C3CC3)no2)ccc1C#N 888078611 BASUKBITMASGLO-ZFWWWQNUSA-N 325.372 2.712 30 50 EFEA CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)c1 169935954 YMUFDFRNXHUJLZ-UHFFFAOYSA-N 329.127 2.963 30 50 EFEA in-vitro Cc1c(C(=O)O[C@@H]2CCCN(c3ccc(F)cc3C#N)C2)cnn1C 170608670 GNGHGUJKNXZEDF-OAHLLOKOSA-N 342.374 2.565 30 50 EFEA C#Cc1ccc(CN2CCN(Cc3ccsc3)[C@H](CCO)C2)cc1 19229069 SFYJFEZQKFPAKI-HXUWFJFHSA-N 340.492 2.798 30 50 EFEA C=CCn1c(=S)[nH]n2c(=N)c(C#N)c(-c3cccs3)c(C#N)c12 135998436 HYXVZDGFAVLFTE-UHFFFAOYSA-N 338.421 2.936 30 50 EFEA N#C[C@H]1CN(C(=O)c2cc(-c3ccccn3)ccc2Cl)CCO1 179055017 QJJMJWUYKHXSFC-ZDUSSCGKSA-N 327.771 2.767 30 50 EFEA CC#C[C@@H]1[C@@]2(C)[C@H](CC)[C@@]3(Br)[C@](C)([C@@]13C)S2(=O)=O 252427874 IZMOMVHASBKFLY-XOKHJRTDSA-N 331.275 2.765 30 50 EFEA C#CCCC1(CCC(=O)NC2(c3noc(CC)n3)CCCC2)N=N1 952882957 ZKXJFXQOZDZESJ-UHFFFAOYSA-N 329.404 2.873 30 50 EFEA COc1ccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1Cl 5001087 OKJOEXYPZDXLJZ-UHFFFAOYSA-N 345.786 2.638 30 50 EFEA CC(C)(C)OC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21 169988726 LUBBFUFCFDJHKZ-UHFFFAOYSA-N 346.236 2.678 30 50 EFEA C[C@@]12CCCC[C@H]1N(Cc1cc(O)n3ncc(C#N)c3n1)CCC2 2325772015 LYBIJADCRHHEHC-QAPCUYQASA-N 325.416 2.851 30 50 EFEA O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO 3873638 JTDYUFSDZATMKU-UHFFFAOYSA-N 326.352 2.502 30 50 EFEA investigational O/C(CN1CCN(c2ccccc2)CC1)=N\c1nnc(C2CC2)s1 20018397 PMWXGTBCELSUCQ-UHFFFAOYSA-N 343.456 2.826 30 50 EFEA O/C(=N/[C@H]1CCOC1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 328602222 AWFSCVMOGWMPKY-QRTARXTBSA-N 345.374 2.834 30 50 EFEA O=S1(=O)CCC[C@@H]1C/N=C(/O)[C@@H]1CCSc2ccccc21 330150133 KNZOCKWKICGMSP-DGCLKSJQSA-N 325.455 2.800 30 50 EFEA CC(C)c1noc(C2CCN(C(=O)Nc3ccc(C#N)nc3)CC2)n1 299760410 JTZOSAPRCVUITD-UHFFFAOYSA-N 340.387 2.871 30 50 EFEA C#CCCC1(CCC(=O)Nc2cc(C)nn2C2CCOCC2)N=N1 952882164 RXSZTNOXWVIVAL-UHFFFAOYSA-N 329.404 2.837 30 50 EFEA N#Cc1ccc(Cn2c(Cc3ccc(F)cc3)noc2=O)c(F)c1 1875318188 JSUHLSMCVGDAOW-UHFFFAOYSA-N 327.290 2.625 30 50 EFEA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1cc(F)cc(C#N)c1 952971057 CADOKPOAELOPEA-AWEZNQCLSA-N 343.402 2.560 30 50 EFEA Cc1ccc(C)c(CC(=O)N2CCCN(c3cccc(C#N)n3)CC2)c1 1772808517 SIQXUJBMEXYQLC-UHFFFAOYSA-N 348.450 2.852 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(OC)c1 19639993 MYSSDDDYYXEMGX-KRWDZBQOSA-N 327.380 2.836 30 50 EFEA Cn1cc(C#N)cc1C(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857670290 FYWXFQACJIHECB-UHFFFAOYSA-N 345.406 2.528 30 50 EFEA CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1ccccc1Cl 264478 LFBMSEQJTDXMDM-CQSZACIVSA-N 329.791 2.985 30 50 EFEA Cc1[nH]c(C#N)c(C)c1[C@H]1CC(=O)Oc2c1c(=O)n(C)c1ccccc21 1431993 LDKSEONQCLTFPC-CYBMUJFWSA-N 347.374 2.796 30 50 EFEA C=CCN1CC[C@H](Sc2nnc(C(C)C)n2Cc2ccco2)C1=O 253419767 IDEDEBQJJMEBQS-AWEZNQCLSA-N 346.456 2.922 30 50 EFEA CN(CC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl)c1ccc(C#N)cn1 241287509 LMAIZCXZYLTPFC-GOEBONIOSA-N 340.814 2.715 30 50 EFEA C[C@@H]1CCCCN1C1CN(CCCC(=O)Nc2ccc(C#N)cc2)C1 244874159 WVOBHLWTYCYUMC-MRXNPFEDSA-N 340.471 2.836 30 50 EFEA CO[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1O 670442932 ULCFKHULSCTGLG-PMACEKPBSA-N 336.435 2.578 30 50 EFEA CC(C)(O)C#Cc1ccc(C(=O)N(CC2CCC2)C[C@H]2CCCO2)o1 952976766 ONPOSBRUDDZDID-QGZVFWFLSA-N 345.439 2.823 30 50 EFEA CC(=O)N1C[C@@H](NCc2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F 886031154 ZICFGEYNZZVWIZ-LSDHHAIUSA-N 325.334 2.590 30 50 EFEA Oc1nc(NCC#C[C@@H]2CCCCO2)nc2c1cnn2-c1ccccc1 897457119 SHVPZMKMVNUQMI-HNNXBMFYSA-N 349.394 2.506 30 50 EFEA CSCCCN1C(=O)CC[C@@H]2CN(c3cccc(C#N)n3)CC[C@@H]21 1565527604 WLWRWDQXJIGYML-ZBFHGGJFSA-N 344.484 2.524 30 50 EFEA COc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3nc(SC)nn32)cc1 15016914 MBWDDCVVWMIYDH-CQSZACIVSA-N 330.413 2.887 30 50 EFEA COc1cc(C#N)ccc1OC[C@H]1CCCN(C(=O)c2cc[nH]c2)C1 1857735871 CVTVNBYFYYFZIA-HNNXBMFYSA-N 339.395 2.826 30 50 EFEA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)c2ccc(C#N)cn2)cs1 328606304 QZZGOXOYIFATLR-HOCLYGCPSA-N 345.447 2.767 30 50 EFEA N#Cc1cn(Cc2nccn2CC(F)(F)F)c2ccccc2c1=O 348084684 RSSNYEOWPIIJQS-UHFFFAOYSA-N 332.285 2.680 30 50 EFEA O=c1cc(/C(O)=N/c2nnc([C@H]3CCCO3)s2)c2ccccc2[nH]1 31811315 XNQHPJZOFIUJIK-GFCCVEGCSA-N 342.380 2.867 30 50 EFEA Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)[C@H]2CCNC2=O)cc1 340455253 LGCJBWLFEWBSMM-KRWDZBQOSA-N 349.390 2.620 30 50 EFEA C=CCn1cc(-c2cn(Cc3nc(C)c4c(n3)CCCC4)nn2)c(C)n1 92037236 VODCCOXPKMIQIB-UHFFFAOYSA-N 349.442 2.662 30 50 EFEA O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCC1CCOCC1 194819900 YJKNUWCMPREBTR-UHFFFAOYSA-N 340.345 2.783 30 50 EFEA O/C(=N/C1(c2nccs2)CCCC1)c1ccc2nnc(O)n2c1 328702818 XMWQOMKLPVZYCU-UHFFFAOYSA-N 329.385 2.666 30 50 EFEA C#CCCC1(CCC(=O)Nc2cccc([C@]3(C)COC(=O)N3)c2)N=N1 2325892231 FQAWJVOIMDOBIF-KRWDZBQOSA-N 340.383 2.936 30 50 EFEA CCn1ccnc1[C@@H](NC(=O)c1cccc(C#N)c1)C1CCOCC1 286946848 RDAHYCSSPMFCKQ-KRWDZBQOSA-N 338.411 2.672 30 50 EFEA Cc1nsc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1C#N 298225619 AMIYOZUQRIHNSG-NWDGAFQWSA-N 341.392 2.837 30 50 EFEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCCC(C)C)C2 14543673 NIEFFTHNBLMUGY-MRXNPFEDSA-N 344.503 2.798 30 50 EFEA Cn1ccc(C(O)=Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)cc1=O 330032623 PXDCUZLJPCEJFO-UHFFFAOYSA-N 335.367 2.684 30 50 EFEA COc1cccc(-c2ccc(=O)n(Cc3ccc(OCC#N)cc3)n2)c1 2325854754 SRDLAEZMJQWVSD-UHFFFAOYSA-N 347.374 2.870 30 50 EFEA Cc1cc(CNC(=O)C(C)(C)C#N)ccc1I 330414047 ZVRAWFVBCRSMQX-UHFFFAOYSA-N 342.180 2.766 30 50 EFEA CC(C)(C)/N=C(/O)N1CCC(NC(=O)C(C)(C)c2cccnc2)CC1 330742396 QJXNWGZNZYQTLE-UHFFFAOYSA-N 346.475 2.652 30 50 EFEA COc1cccc(COCCNC(=O)c2ccc(F)c(C#N)c2)c1 341426865 ROWCPTZITIMFHP-UHFFFAOYSA-N 328.343 2.653 30 50 EFEA C=C1[C@@H]2C[C@H](O)[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O 238772250 VRVOLALMVUEAHP-JYSNTAMXSA-N 334.456 2.982 30 50 EFEA biogenic CCN(C)C1(Cn2ccc3nc(O)c(C#N)cc3c2=O)CCCCC1 67867938 SBJZWXDPEFVBLQ-UHFFFAOYSA-N 340.427 2.628 30 50 EFEA C[C@@H]1C[C@]1(C#N)C(=O)N1C[C@@H](COc2ccccc2)OC(C)(C)C1 408519467 ZJJVNTFOQDOHHK-SIXWZSSISA-N 328.412 2.621 30 50 EFEA CN(CC#N)Cc1cccc(Br)c1OC[C@H]1CCCO1 190510182 ZQLFMZNTIRQBQG-CYBMUJFWSA-N 339.233 2.962 30 50 EFEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N(C)CC(C)C)C2 14530494 VYQQSCODYSQSGA-MRXNPFEDSA-N 344.503 2.750 30 50 EFEA N#Cc1c(NC(=O)C[C@@H]2CCOc3ccccc32)nc2n1CCS2 118224553 OQGITNIDCSOGRE-NSHDSACASA-N 340.408 2.755 30 50 EFEA CC(C)(C)n1cc(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)cn1 157343973 ACFBFHOYPVALIQ-LJQANCHMSA-N 337.471 2.848 30 50 EFEA C=C(C)COc1cccc(C(=O)N(CC)Cc2nc(COC)no2)c1 55271099 KRNLEXBXSFKEHX-UHFFFAOYSA-N 345.399 2.833 30 50 EFEA CO[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)c2C#N)C1 333902216 TVRDMJPMCOGSCG-SVBLFDIKSA-N 332.425 2.629 30 50 EFEA N#Cc1nccn1CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 239653698 BKURFHFXYWGBSQ-IBGZPJMESA-N 342.402 2.929 30 50 EFEA COC(=O)c1cc(OCC2CC2)cc(B2OC(C)(C)C(C)(C)O2)c1 169905065 JTVONZUKAQNKSL-UHFFFAOYSA-N 332.205 2.561 30 50 EFEA in-vitro CCO[C@@H]1C[C@H](/N=C(/O)[C@@H](O)Cc2ccccc2)C12CCOCC2 328588912 SGIJLVJJCWUPMR-YESZJQIVSA-N 333.428 2.521 30 50 EFEA CCC/N=C(/O)[C@H]1CCCN(C(=O)Cc2ccc3c[nH]nc3c2)C1 330067547 UOKHXXQXEVBUBC-HNNXBMFYSA-N 328.416 2.711 30 50 EFEA N#Cc1ccccc1CN1CCC[C@@H](CCNC(=O)c2cnco2)C1 67642571 UWOWVACHPMMALU-HNNXBMFYSA-N 338.411 2.578 30 50 EFEA Cc1oc(C#N)cc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 348261679 PZWKQCIKFFBINM-MEDUHNTESA-N 332.306 2.686 30 50 EFEA CC(C)C[C@H](C)S(=O)(=O)NC(=O)[C@H]1C[C@H]1c1cccc(C#N)c1 252478006 ZQYXUZBTWHNSMK-RCBQFDQVSA-N 334.441 2.542 30 50 EFEA Cc1cc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)c(C#N)c(C)n1 328637297 ONYXZHJZWDHNPH-SFHVURJKSA-N 335.455 2.923 30 50 EFEA N#Cc1c(N)nc2c(c1-c1ccc(CO)o1)CCc1cc(O)ccc1-2 71751277 UWCWHEFGRKGIQK-UHFFFAOYSA-N 333.347 2.759 30 50 EFEA COc1cc(CNCc2ccc(C#N)cc2F)cc2c1OCCO2 237306124 PBDUZISUVZAYIU-UHFFFAOYSA-N 328.343 2.767 30 50 EFEA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C)Cc1cccc(C#N)c1 284447791 CHRRSDTUJAQMKY-IAGOWNOFSA-N 338.411 2.511 30 50 EFEA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(Cc2ccc(Cl)cc2C#N)C1 284743095 YACMTHFJIAROEX-CABCVRRESA-N 331.807 2.600 30 50 EFEA C[C@@H](CCN=C1N[C@H]2C[C@@H](O)C[C@H]2N1)c1cccc(C(F)(F)F)c1 1875315193 KWWLCKCBUZXHOA-HPEDKQMDSA-N 341.377 2.640 30 50 EFEA C#Cc1cc(F)c(NCC(=O)NCc2cccc(COC)c2)c(F)c1 170616339 CKJZTHQSONLWOL-UHFFFAOYSA-N 344.361 2.821 30 50 EFEA CCCCO/C(O)=N/c1nnc(CC(=O)NCc2ccccc2)s1 5013309 SFNFGUDDNKDFSG-UHFFFAOYSA-N 348.428 2.759 30 50 EFEA CC(=O)Nc1ccc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)cc1 71753476 VIKIUQXAEFBYPS-UHFFFAOYSA-N 346.394 2.870 30 50 EFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cn(CC)nc1C 5728196 QQEVKGHMFNPWIP-QGZVFWFLSA-N 343.427 2.742 30 50 EFEA N#CC1(c2ccccc2)CCN(C(=O)NCc2nccs2)CC1 426506530 BYSHZCHSACNLPE-UHFFFAOYSA-N 326.425 2.910 30 50 EFEA COC(=O)c1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1 201601112 SIWNNYVLNBGRQK-UHFFFAOYSA-N 330.111 2.791 30 50 EFEA C=CCNC(=O)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 15075609 OTEVACSOJWGPFX-CQSZACIVSA-N 328.334 2.844 30 50 EFEA CC1(C)OB(c2cnc(N)c(OCc3ccccc3)c2)OC1(C)C 169747180 RPQADWBEACHUFT-UHFFFAOYSA-N 326.205 2.542 30 50 EFEA COCC[C@@H](CO)/N=C(/O)Nc1ncc(-c2ccccc2C)s1 328600182 WLWMFNBAGOXZCR-LBPRGKRZSA-N 335.429 2.842 30 50 EFEA O/C(=N/Cc1nnc(C2CC2)o1)[C@H]1CCCN(CC(F)(F)F)C1 329381884 OEQQPQXZVATNRR-JTQLQIEISA-N 332.326 2.678 30 50 EFEA C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccncc1 6730016 CPULMJOQPAKOAU-UHFFFAOYSA-N 343.456 2.677 30 50 EFEA Cc1ccc(NS(=O)(=O)c2ccccc2CC#N)c(C(=O)O)c1 355877635 DARJUWMZOCFUHM-UHFFFAOYSA-N 330.365 2.560 30 50 EFEA CC[C@H]1CN(c2ncccc2C#N)CCC(=O)N1Cc1ccccc1 71757174 MOHVYYKSULLGKY-SFHVURJKSA-N 334.423 2.971 30 50 EFEA N#CC1(NC(=O)CN2CCC[C@@H](c3ccncc3)C2)CCCCC1 289443055 WROPTGXECFSUQH-QGZVFWFLSA-N 326.444 2.604 30 50 EFEA N#Cc1cccnc1N1CCC[C@H](c2nccn2Cc2ccccn2)C1 95516504 VLWVKKILBKPUCK-KRWDZBQOSA-N 344.422 2.977 30 50 EFEA CCOc1cccc(/C=N/N2CCN(c3ccccc3)CC2)c1O 46638 AOYBGXRLFUHMKS-HMMYKYKNSA-N 325.412 2.947 30 50 EFEA Cc1nc(C/C(O)=N/[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cs1 328608987 BVEJJAMQABJWEC-BBRMVZONSA-N 334.445 2.831 30 50 EFEA N#Cc1ccc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)cc1 174335753 BHOSDUSIPFTUOH-UHFFFAOYSA-N 334.354 2.856 30 50 EFEA N#C[C@@]12C(O)=NC(=O)[C@]1(C#N)C1c3ccccc3C2c2ccccc21 45070491 HDEMPJHKOPJMTG-BIUPVWIKSA-N 325.327 2.794 30 50 EFEA CCCCCCCn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C 97976916 WDWGTAGQJMTGHQ-UHFFFAOYSA-N 338.477 2.894 30 50 EFEA Cc1ncc(S(=O)(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1C#N 408360901 ALGQZIKNTJMEIW-KRWDZBQOSA-N 331.441 2.773 30 50 EFEA N#C[C@H]1CN(Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CCO1 365507768 JQRIPABWXRZFNS-AWEZNQCLSA-N 336.317 2.820 30 50 EFEA Cc1oc2ccccc2c1CN(C)Cc1cc(O)n2ncc(C#N)c2n1 2325873620 NJJKXLVTYOGZEI-UHFFFAOYSA-N 347.378 2.993 30 50 EFEA C#CCCC1(CCNC(=O)c2c(C)[nH]c(C(=O)OCC)c2CC)N=N1 2325891634 SELKZHCNIKEXBD-UHFFFAOYSA-N 344.415 2.758 30 50 EFEA C=C(C)COc1c(CN(C)C[C@H](C)N2CCOCC2)cccc1OC 55090709 UUIYUQGZEVXADX-KRWDZBQOSA-N 348.487 2.803 30 50 EFEA COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1cccc(Cl)c1 101348550 JHHBTHAUHPMWAV-LYSGOOTNSA-N 347.798 2.596 30 50 EFEA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1cc(F)cc(C#N)c1 77421726 YFGKGMVJVNEWPL-IBGZPJMESA-N 337.398 2.826 30 50 EFEA Cc1noc(C)c1CN1CCN(c2cc(C#N)cc(Cl)n2)CC1 685945077 SCYZDGUPKWZRNQ-UHFFFAOYSA-N 331.807 2.534 30 50 EFEA CCn1cnc2c1CCN(c1ncc(Br)cc1CC#N)C2 1875395129 MNCBQGRTUGFCFR-UHFFFAOYSA-N 346.232 2.689 30 50 EFEA C=C[C@H](CC(=O)N1CCC[C@@]2(CC(C(=O)O)=NO2)C1)c1ccccc1 1775993598 SERPAMAKSZWUIS-AUUYWEPGSA-N 342.395 2.568 30 50 EFEA C#CCCCC(=O)N(C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 408514664 UHQNSNKQRCYPLG-OAHLLOKOSA-N 348.468 2.549 30 50 EFEA C=CCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 14971184 AUBIMPSWCPXRQO-IBGZPJMESA-N 330.403 2.743 30 50 EFEA C#CCCC1(CCC(=O)NC[C@@H]2CCCN2Cc2ccccn2)N=N1 2325898757 YPPLHRLUMKKGKZ-KRWDZBQOSA-N 339.443 2.518 30 50 EFEA N#Cc1cccc([C@@H]2CN(C(=O)c3cc(F)c(O)c(F)c3)CCO2)c1 328587683 FDSFLUDAMVVGSK-INIZCTEOSA-N 344.317 2.756 30 50 EFEA CC(C)n1cc(C#N)c(NC(=O)CCc2cccc(N(C)C)c2)n1 253416571 SOGRHBKPQCXRPQ-UHFFFAOYSA-N 325.416 2.973 30 50 EFEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H]1OCC(=O)[C@@]12O 253623587 PIVUIBWKOVQVES-QKXXUVGISA-N 344.451 2.827 30 50 EFEA C#CCCC1(CCC(=O)Nc2ccc(OCc3nc[nH]n3)cc2)N=N1 2325886275 BKTSXCMLELAPBX-UHFFFAOYSA-N 338.371 2.678 30 50 EFEA CCn1cc(C(=O)CSc2ncc(C#N)c(N)n2)c2ccccc21 10007634 LDGLLKBOELCDIY-UHFFFAOYSA-N 337.408 2.880 30 50 EFEA C=CCN(CC=C)C(=O)C1CCN(C(=O)c2ccccc2F)CC1 9341148 YSKRCKJYWDNJKP-UHFFFAOYSA-N 330.403 2.879 30 50 EFEA CC(C)[C@H](CNC(=O)c1cccc(C#CC(C)(C)O)c1)N1CCCC1 670469960 MGUVUCPCJSHCHK-IBGZPJMESA-N 342.483 2.659 30 50 EFEA C=CC(=O)N1CCC[C@@H](C(=O)N(Cc2ccc(C#N)cc2)C(C)C)C1 1875302692 CHZSMXDXNLHMFM-GOSISDBHSA-N 339.439 2.720 30 50 EFEA Cc1cc(C#N)ccc1-c1nnc([C@H]2OCC[C@H]2Cn2ccnc2)o1 886082229 NOTYIHXXGABPFV-HOCLYGCPSA-N 335.367 2.891 30 50 EFEA CN1CC[C@@H](CN=c2cc(C#N)nc[nH]2)[C@H]1c1ccc(Cl)c(F)c1 408514531 LXHRSJNYKADWIG-YVEFUNNKSA-N 345.809 2.668 30 50 EFEA N#Cc1cccc(/C=C/C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c1 110762989 DFBSHEGCLXFSPO-NADMHLTPSA-N 347.422 2.904 30 50 EFEA O=C(O)c1cccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)n1 362488763 MJXVRKLKLRTBIE-UHFFFAOYSA-N 348.280 2.580 30 50 EFEA Cc1ccc(N2CCC[C@H](/N=C(/O)N3CC[C@H]4CCCC[C@H]43)C2)nn1 328587170 BKEXHSPQWIBVFF-IXDOHACOSA-N 343.475 2.932 30 50 EFEA Cc1cccc(OC/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)c1 328647676 UEISLUQJASAXTP-UHFFFAOYSA-N 346.427 2.658 30 50 EFEA N#CCC[C@H](C#N)CN1CCN(c2c(C#N)cnc3ccccc23)CC1 131290018 PISWBJUEXOXBKL-MRXNPFEDSA-N 344.422 2.672 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)N=N1 888096290 RVPKKWNUTSVOQD-CVEARBPZSA-N 326.400 2.774 30 50 EFEA C=CCn1c2ccccc2c2nnc(SCC(=O)OCC)nc21 80169 LTKFBJLHOUDWGT-UHFFFAOYSA-N 328.397 2.821 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2C[C@H]3CC[C@H]2C[C@@]3(C)C(=O)O)N=N1 2325900895 MYVFHRHLYUXWQN-QDEZUTFSSA-N 331.416 2.738 30 50 EFEA COc1cccc(N2C[C@@H](C(=O)Nc3ccc(C#N)cc3)CC2=O)c1 8247845 FIXPDYDOTOGFLH-AWEZNQCLSA-N 335.363 2.558 30 50 EFEA CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 105246448 NZYSNXHFFINCNV-SQOSCVHDSA-N 344.798 2.880 30 50 EFEA CC(C)[C@@H]1CN(C(=O)c2ccccc2C#N)CCC(=O)N1CC1CC1 71755087 BBTFFOWFMQWDAN-SFHVURJKSA-N 339.439 2.667 30 50 EFEA CC1(C#N)CCN(C(=O)c2ccc(-c3ccc(C(N)=O)o3)cc2)CC1 426444629 PFTOALWXDPHFJZ-UHFFFAOYSA-N 337.379 2.811 30 50 EFEA C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)Cc1cc(C)[nH]n1 161069211 WTCBBNHCMYAACB-LLVKDONJSA-N 330.363 2.622 30 50 EFEA C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43CO)[C@H]1CC[C@H]2C(N)=O 257345644 FCKREEZOLFAONZ-OXAWTZHMSA-N 331.456 2.592 30 50 EFEA CCn1cc([C@@H]2OCC[C@H]2CNc2nc3ccccn3c2C#N)cn1 886072160 YPXKVLYJIVYOOC-SUMWQHHRSA-N 336.399 2.612 30 50 EFEA C=CCN1CC[C@@H](N(C)C(=O)c2cc3c(s2)CC[C@H](C)C3)C1=O 225594777 JUYNFOVSXSOTMC-GXTWGEPZSA-N 332.469 2.732 30 50 EFEA CC(C)NC(=O)CCNc1c(C#N)cnc2c(F)c(F)c(F)cc12 225538479 ZZAGIPGVCYLYBF-UHFFFAOYSA-N 336.317 2.850 30 50 EFEA C#CCN(Cc1ccco1)C[C@H]1[C@@H]2CN(C(=O)C3CCCC3)C[C@H]12 101956927 YJKHIDARCGZTFU-LDLYASANSA-N 326.440 2.609 30 50 EFEA Cc1ncc(/C(O)=N/[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)[nH]1 328591110 LKMVTUNJBYAFBO-HZPDHXFCSA-N 348.834 2.748 30 50 EFEA CC(C)n1c([C@H]2OCC[C@H]2C)nn(C/C(O)=N/C2CCCC2)c1=O 328628278 HCWIUZJYBWFNEK-DOMZBBRYSA-N 336.436 2.622 30 50 EFEA C[C@H]1OCC[C@]1(C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 332784829 DBRJBCYBBGWRGE-YJYMSZOUSA-N 345.418 2.597 30 50 EFEA C#CCCC1(CCC(=O)Nc2cnn(C3CCOCC3)c2C)N=N1 952880315 FKSVJSFTDBTQEQ-UHFFFAOYSA-N 329.404 2.837 30 50 EFEA N#Cc1ccccc1S(=O)(=O)N1CC[C@H](Oc2ccccc2F)C1 1875332474 UEJLENUDLJDDCQ-AWEZNQCLSA-N 346.383 2.539 30 50 EFEA C=C(C)[C@H](NC(=O)N1CCn2nc(C)nc2C1)c1ccc(F)c(F)c1 275143581 QPHSFVOIFWDCAE-INIZCTEOSA-N 347.369 2.707 30 50 EFEA CN(C)c1noc(CN2CCC[C@@H]2/C(O)=N/CC2CCCCC2)n1 330031599 ATFWHSUSMUXVGM-CQSZACIVSA-N 335.452 2.637 30 50 EFEA N#Cc1cnn2c(O)cc(CN3CC[C@H]4CCCCC[C@H]4C3)nc12 2325771980 JOFIWYCIVRSCRR-KGLIPLIRSA-N 325.416 2.709 30 50 EFEA N#Cc1cc(N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)ncn1 253428572 ASBSMULHSDNMAO-LBPRGKRZSA-N 347.300 2.584 30 50 EFEA N#Cc1ccncc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 362735196 IRYKQWUIKNCVGM-UHFFFAOYSA-N 346.434 2.616 30 50 EFEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(N(C)C)cc1 71721371 GKSOLCVRKOECGV-UHFFFAOYSA-N 332.411 2.977 30 50 EFEA Cc1c([C@@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1C1CCNCC1 71712017 DZDGEJHFIZEHMJ-CQSZACIVSA-N 328.460 2.984 30 50 EFEA Cc1cc(C#N)nc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1 287777730 IFZQQGYDYFCYJE-ZDUSSCGKSA-N 343.381 2.818 30 50 EFEA CCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc1[N+](=O)[O-] 177606369 SSAPHWFELHFRFT-ZDUSSCGKSA-N 338.323 2.513 30 50 EFEA C[C@]1(/C(O)=N/[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CCCOC1 330089505 VYCPEJCTCIRRCM-QAPCUYQASA-N 334.391 2.700 30 50 EFEA C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O 3882527 XMJAJFVLHDIEHF-CRBRZBHVSA-N 332.440 2.768 30 50 EFEA biogenic,in-vitro COc1ccc(C(=O)C[n+]2ccc(-c3cccc(OC)c3)nc2)cc1 6127728 CNWLOAMMORCKCP-UHFFFAOYSA-N 335.383 2.936 30 50 EFEA C=C(C)COc1ccccc1CNCCNC(=O)c1cccnc1 65371934 UJGACDMIFDMVTN-UHFFFAOYSA-N 325.412 2.556 30 50 EFEA O=C(Cc1ccccc1)N1CCC[C@@H](/N=C(/O)c2cncs2)C1 328589588 OANYPELXERIAAI-CQSZACIVSA-N 329.425 2.681 30 50 EFEA COC[C@H](/N=C(/O)N1CCC[C@@H](c2nccn2C)C1)c1ccccc1 328588872 YCEWLNIYYVLVPH-SJORKVTESA-N 342.443 2.901 30 50 EFEA N#Cc1ccc(NC(=O)CCCN2CCOC3(CCCC3)C2)cc1 244673936 HYJPAZMPWPWYNC-UHFFFAOYSA-N 327.428 2.922 30 50 EFEA Cc1nnc([C@H]2CCCN(CCOc3cccc(C#N)c3)[C@H]2C)o1 886077724 HMAUWYGLUURDEM-GUYCJALGSA-N 326.400 2.897 30 50 EFEA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 190588872 QGIIQLVFLHCTLA-SFHVURJKSA-N 340.471 2.836 30 50 EFEA N#Cc1ccc(CC(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1 348242724 KWHWZNFGBIFLMY-QAPCUYQASA-N 342.345 2.713 30 50 EFEA Cc1nc2n(n1)CCN(/C(O)=N/Cc1oc3ccc(F)cc3c1C)C2 328588322 NVAAYEPFKCKSDS-UHFFFAOYSA-N 343.362 2.710 30 50 EFEA CN(Cc1cccc(C#N)c1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328624855 CRFNUULTWHQSQU-AZUAARDMSA-N 337.471 2.807 30 50 EFEA N#Cc1cccc(/C=C/C(=O)N2CCCC[C@@H]2CN2CCCC2=O)c1 362808944 ZQAIVNAPYIKHKB-QZEKMECESA-N 337.423 2.575 30 50 EFEA Cc1nc(NCc2nnc3n2CC[C@H](C(F)(F)F)C3)ccc1C#N 952881548 PULXOAUIJGDXNV-NSHDSACASA-N 336.321 2.590 30 50 EFEA C=C(C)CN1CCN(C(=O)[C@H]2CCCN(C3CCCCC3)C2)CC1 952961470 JCQVEIUIYXMNIG-SFHVURJKSA-N 333.520 2.751 30 50 EFEA C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(N2CCCC2)nn1 110840503 XYIQMUGZZFARDA-HXUWFJFHSA-N 349.438 2.722 30 50 EFEA O=C(NC[C@H]1CCCN(CC#Cc2ccccc2)C1)c1cccnc1 12474560 BKCJJANHUVOESP-LJQANCHMSA-N 333.435 2.575 30 50 EFEA C=CCCc1ccccc1N=C(O)N1CC[C@H]2OCC(O)=N[C@@H]2C1 328589416 VVTCCPJARWYINU-HZPDHXFCSA-N 329.400 2.780 30 50 EFEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)/C(O)=N/C[C@@H]1CCCS1 328621229 HOWLFICELHZFCW-ULQDDVLXSA-N 348.516 2.816 30 50 EFEA CC(C)C[C@H]1COCCN1C(O)=Nc1cn(C)nc1C(F)(F)F 330880011 MPLFNWDKKKLLJT-JTQLQIEISA-N 334.342 2.731 30 50 EFEA N#Cc1cccc(-n2ccc(C(=O)Nc3cc([C@H]4CCCO4)n[nH]3)n2)c1 253396112 ZQADALUOIWYFQY-MRXNPFEDSA-N 348.366 2.571 30 50 EFEA CC#CC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 253392927 LRCJYUXOJUUMOQ-SECBINFHSA-N 334.173 2.700 30 50 EFEA N#Cc1c(N)nc2c(c1-c1c[nH]nc1-c1ccc(F)cc1)COCC2 71759841 AGXWJLRMTMSTMC-UHFFFAOYSA-N 335.342 2.804 30 50 EFEA C#CCCC1(CCC(=O)Nc2cccc(N3CCOCC3)c2)N=N1 952881864 QKJDOSYNZCLANU-UHFFFAOYSA-N 326.400 2.817 30 50 EFEA C#CCCC1(CCC(=O)N2C[C@H](C(=O)O)C3(CCCCC3)C2)N=N1 952876288 KOHOUSCRMFIBQY-CQSZACIVSA-N 331.416 2.836 30 50 EFEA Cc1nc(-c2cccc(NC(=O)Nc3ccn(CCC#N)n3)c2)no1 170600051 KDZRPIQFRBQOOQ-UHFFFAOYSA-N 337.343 2.799 30 50 EFEA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cc(C#N)cn1C 1506409966 BQHQNMBQIUIUIB-UHFFFAOYSA-N 349.394 2.918 30 50 EFEA CC(C)(C)NC[C@@H](O)CO/N=C(\c1ccccc1)c1ccccn1 1951895 UMVBYLBBKIVOFM-XEFZIOHMSA-N 327.428 2.600 30 50 EFEA COC(=O)c1cccc(-c2cc(-c3cn(C)nc3C)nc(N)c2C#N)c1 71752099 DMJQFVLASMTTGY-UHFFFAOYSA-N 347.378 2.698 30 50 EFEA CCOc1ccc(NC(=O)NCCCn2nc(C)cc2C)cc1C#N 299776077 NEVTYTPWESLKNP-UHFFFAOYSA-N 341.415 2.982 30 50 EFEA C#CCCc1noc([C@@]2(C(F)(F)F)CCN(c3ccccn3)C2)n1 952894327 NIKRXGROPIMHIR-OAHLLOKOSA-N 336.317 2.741 30 50 EFEA Cc1ccc(NC(=O)CO/N=C(/N)[C@H]2CCO[C@@H]2C(C)(C)C)cc1 170613176 XTBFEEPIVGUHDE-HOCLYGCPSA-N 333.432 2.674 30 50 EFEA Cc1cccc(C/N=C(/O)CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)c1 328593514 CUSNHWFRJTVZPB-GJZGRUSLSA-N 332.366 2.989 30 50 EFEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)c2ccc(C)nc2O)cn1 328626479 LTAKVDMYSWPLOH-LSDHHAIUSA-N 330.388 2.537 30 50 EFEA COC(=O)[C@H]1CN(c2ccc(C#N)nc2)C[C@@H]1c1ccc(F)cc1F 242047892 VQXOVPMZDOZRNH-CVEARBPZSA-N 343.333 2.624 30 50 EFEA CCCCN1C[C@]2(CCCN(Cc3cc(C#N)n(C)c3)C2)CCC1=O 77342506 PPVWAKDZFDQCOP-HXUWFJFHSA-N 342.487 2.901 30 50 EFEA C=CCn1ncc(-c2cc(-c3ccc(OC)nc3)nc(N)c2C#N)c1C 71419214 ZCNNEKMDHCTHDW-UHFFFAOYSA-N 346.394 2.964 30 50 EFEA CCOc1cccc(C=NN2CCN(Cc3ccccc3)CC2)c1O 245296686 OQVQXCVTPVIZCG-UHFFFAOYSA-N 339.439 2.943 30 50 EFEA CC(C)n1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1Cc1cc(C#N)c[nH]1 1875399096 OQDOZBPLXHLCLK-HZPDHXFCSA-N 340.431 2.738 30 50 EFEA N#Cc1cc2n(n1)CCN(C(=O)C[C@H](c1ccccc1)c1ccco1)C2 952966023 DUZSJCUOCLHZII-GOSISDBHSA-N 346.390 2.912 30 50 EFEA N#Cc1cnn2c(O)cc(CN3CC[C@@H]4CCCCC[C@H]4C3)nc12 2325771979 JOFIWYCIVRSCRR-KBPBESRZSA-N 325.416 2.709 30 50 EFEA CN(Cc1cc(O)n2ncc(C#N)c2n1)C[C@@H]1CCc2ccccc2C1 2325798569 BNQAARHAPGSGRO-CQSZACIVSA-N 347.422 2.543 30 50 EFEA N#Cc1cccc(CN2CCC[C@H](CNC(=O)c3cncs3)C2)c1 67741020 RADGHNQWFYAXQE-MRXNPFEDSA-N 340.452 2.657 30 50 EFEA CC#CCN1CC=C(c2cnn(Cc3ccc4c(c3)OCO4)c2)CC1 67739804 ZHAFNTNKOWBHRX-UHFFFAOYSA-N 335.407 2.773 30 50 EFEA Cn1ccnc1C(=O)[C@@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 77342689 RHRDQNCUTLSSOX-OAHLLOKOSA-N 349.438 2.665 30 50 EFEA N#Cc1ccccc1C(=O)N[C@H]1C[C@@H](c2cc(N3CCCC3)ncn2)C1 252551792 UGZXHQICDBDFIM-IYBDPMFKSA-N 347.422 2.624 30 50 EFEA C=CCSc1ccccc1NC(=O)Cn1ccc(C)c(C#N)c1=O 163858712 TVNDKOFUUFRIHQ-UHFFFAOYSA-N 339.420 2.945 30 50 EFEA CCS[C@@H](C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(C)C 192830229 BNEXOTPVRWMVOG-OAHLLOKOSA-N 343.456 2.914 30 50 EFEA N#Cc1ccc(-c2cccc(-c3ccn(C[C@@H]4COCCO4)n3)c2)nc1 19740172 QDXYJHHUVUDONL-GOSISDBHSA-N 346.390 2.899 30 50 EFEA N#Cc1ccccc1-c1ccc(-c2nccn2Cc2nc(O)n[nH]2)o1 1857671449 XVIFOZMWCNAVRO-UHFFFAOYSA-N 332.323 2.554 30 50 EFEA C=C(C)COc1ccc(C(=O)N(CCOC)C2CCN(C)CC2)cc1 55359398 OWKOJQRKBNBSAK-UHFFFAOYSA-N 346.471 2.824 30 50 EFEA Cc1cc(C)nc(-n2nc(C)c(C#N)c2NC(=O)c2ccccc2)n1 9135129 FHRQCCDLRLOOLI-UHFFFAOYSA-N 332.367 2.712 30 50 EFEA CC(C)(C)c1cnc(N=C(O)N2CCC(Cn3ccnn3)CC2)s1 328747804 QFTRMVZTZXWPPS-UHFFFAOYSA-N 348.476 2.990 30 50 EFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCOC[C@H]1c1ccc(CC)o1 281841979 QZIGZXYGWFENIF-HFTRVMKXSA-N 348.443 2.906 30 50 EFEA N#Cc1cccnc1NC[C@@H]1CCN(C[C@@H](O)c2cccc(F)c2)C1 222203006 QGKUBMGETATFFI-KBXCAEBGSA-N 340.402 2.560 30 50 EFEA N#Cc1cc2c([nH]c1=NCc1cc(CC3CC3)on1)CCSC2 1875313098 HFMSTHKIPZRIGO-UHFFFAOYSA-N 326.425 2.717 30 50 EFEA COc1ccc([C@H]2C(C(C)=O)=C(C)Nc3nc(SC)nn32)cc1 15016915 MBWDDCVVWMIYDH-AWEZNQCLSA-N 330.413 2.887 30 50 EFEA CC(C)c1cc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)no1 120936633 UCGAYYIADONTPC-UHFFFAOYSA-N 342.374 2.771 30 50 EFEA Cn1cncc1[C@@H]1C[C@H](/N=C(/O)c2ccc3c(c2)COC3)CCO1 330341100 YUQMVAYDAQFYKC-WBVHZDCISA-N 327.384 2.675 30 50 EFEA C#CCCC1(CCC(=O)N2CC(c3cccc(C(=O)OC)c3)C2)N=N1 2325893460 HQLGFRKSOLWCEF-UHFFFAOYSA-N 339.395 2.755 30 50 EFEA N#Cc1ccnc(N2CCC[C@@](CO)(Cc3ccccc3F)C2)c1 67754450 NAKKMVNKZDSXIT-LJQANCHMSA-N 325.387 2.914 30 50 EFEA Cc1cc(NC(=O)C(=O)NCC2(CC#N)CC2)ccc1-c1ccncc1 340419123 WNRAUBLHKXPNGV-UHFFFAOYSA-N 348.406 2.806 30 50 EFEA N#Cc1cnccc1CN1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 685940928 KOQJPDSGYHUYQR-LPHOPBHVSA-N 335.411 2.767 30 50 EFEA C=CCN1C[C@@H](C(=O)Nc2ccc(C)c(NC(=O)CC)c2)CCC1=O 952961209 YCIKARWJAHQYSX-AWEZNQCLSA-N 343.427 2.707 30 50 EFEA CCN/C(=N\C[C@H]1CCO[C@H]1C(C)(C)C)NCC[C@@H]1CCCO1 206073669 GPOXKQKDPGILJQ-OWCLPIDISA-N 325.497 2.562 30 50 EFEA O=C(Nc1ccccc1)[C@@H]1CC(O)=N/C(=N\c2ccc(F)cc2)N1 2241052 ZTDPQNLOSDYVIG-AWEZNQCLSA-N 326.331 2.770 30 50 EFEA C/C(=N\N=C1/NC(=O)[C@H](C)S1)c1ccc(Br)cc1 5061256 CSPBWNLDCZECRE-CUXJQWCSSA-N 326.219 2.781 30 50 EFEA CN(C)CCC[C@](O)(c1ccc(F)cc1)c1ccc(C#N)cc1CO 5046721 GNULRNVWXYXBQY-FQEVSTJZSA-N 342.414 2.767 30 50 EFEA in-vitro C#Cc1cccc(NC(=O)C(=O)Nc2cccc(OCCF)c2)c1 120659253 HIYBRLRMJDJMEK-UHFFFAOYSA-N 326.327 2.593 30 50 EFEA O/C(=N/c1c[n+](CCc2ccc(O)cc2)no1)Nc1ccccc1 138772619 JCMTVHODDLDLFL-UHFFFAOYSA-O 325.348 2.568 30 50 EFEA CN(C1(C#N)CCC1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 225706726 BOLAJQFJTIEZED-UHFFFAOYSA-N 343.330 2.644 30 50 EFEA CC[C@]1(C(=O)O)CCCN(C(=O)c2ccc(C#CC(C)(C)O)cc2)C1 91987442 JULJIJHNMQHPIB-FQEVSTJZSA-N 343.423 2.526 30 50 EFEA Cc1c(Cl)cnc(N[C@H]2CCCN(c3cccnc3)C2=O)c1C#N 253426409 GZCYOHUPNORTKS-HNNXBMFYSA-N 341.802 2.918 30 50 EFEA COc1ccc([C@@H]2C[C@H]2c2nc(C#N)c(N3CCOCC3)o2)cc1 1857798881 DXSKRAPAILUUKL-LSDHHAIUSA-N 325.368 2.663 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H]2C[C@H]2c2cnn(CC(C)C)c2)N=N1 2325892002 WSFHCNLERIWKHY-JKSUJKDBSA-N 327.432 2.867 30 50 EFEA C=CCNC(=O)c1ccccc1NC(=O)c1cc(OC)cc(OC)c1 2842251 YREBQTGBHJEPTM-UHFFFAOYSA-N 340.379 2.872 30 50 EFEA CC(=O)Nc1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2C)cc1 100431681 OWDAHVHZMJDLAX-FXBPSFAMSA-N 335.367 2.836 30 50 EFEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2ccc(Cl)cc2C#N)C1 328610525 IFGPZMUTAXLFAD-INIZCTEOSA-N 345.790 2.985 30 50 EFEA C=CC[C@@H]1N(/C(O)=N/C[C@H]2CCCS(=O)(=O)C2)CCCC1(C)C 329714209 SPYWGMAXBBVCEV-CABCVRRESA-N 342.505 2.792 30 50 EFEA C[C@@H](NC(=O)[C@]1(C#N)CCCNC1)c1ccc(C(F)(F)F)cc1 1875291775 LLJSSECIRVMKGZ-ABAIWWIYSA-N 325.334 2.776 30 50 EFEA Cc1ncncc1C(=O)N1CCC[C@H](CB2OC(C)(C)C(C)(C)O2)C1 1875370613 VSKWFCVSSYLIKK-CQSZACIVSA-N 345.252 2.729 30 50 EFEA Cc1nnc([C@H]2CCCN(CCOc3ccc(C#N)cc3)[C@H]2C)o1 886078389 XSWJCGMDUBOZAC-GUYCJALGSA-N 326.400 2.897 30 50 EFEA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cccc(C#N)c2C)C3)n1 888098045 ADPSIMKCNGRDSX-KXBFYZLASA-N 336.395 2.752 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(C)C)cc1 13285518 OUUGQOLSGBFYRU-SFHVURJKSA-N 340.423 2.894 30 50 EFEA C[C@H]1CCc2c(sc(NC(=O)CN3C[C@H](C)O[C@H](C)C3)c2C#N)C1 19902707 NGUCHHJHPKUYRS-RWMBFGLXSA-N 347.484 2.792 30 50 EFEA C#CCCC1(CCC(=O)N(C)[C@H](c2ccccc2)c2nc[nH]n2)N=N1 2325886323 KVGXOOPUDBGOCD-MRXNPFEDSA-N 336.399 2.708 30 50 EFEA C#CCCC1(CCNC(=O)C[C@@H]2CC[C@H](C(F)(F)F)N(C)C2)N=N1 2325900129 LXJVGULZSIAHST-QWHCGFSZSA-N 344.381 2.731 30 50 EFEA O=C(c1ncoc1C1CC1)N1CCC[C@H]1C(O)=Nc1nccs1 328691894 JANITMZXYAFSKG-JTQLQIEISA-N 332.385 2.901 30 50 EFEA O/C(=N/CCc1cn2c(n1)SCC2)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 329805262 MUYHPWUGSLJMLB-CSOUEMRRSA-N 346.500 2.860 30 50 EFEA COc1cc(CN[C@H]2CCN(C(=O)Cc3ccccc3)C2)ccc1C#N 376718068 VQJJSCNUKKGJFY-IBGZPJMESA-N 349.434 2.500 30 50 EFEA CC(C)C#CC(=O)NCCN=[S@](=O)(c1ccccc1)C(F)(F)F 1153087983 VWCAQGDTFBLSBY-QHCPKHFHSA-N 346.374 2.809 30 50 EFEA C[C@@H]1C[C@@]1(C#N)C(=O)N1CC(C)(c2nnc(-c3ccccc3F)o2)C1 952893175 SNRDIIQEAWSMPR-ZMZPIMSZSA-N 340.358 2.525 30 50 EFEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)Cc3ccc(C#N)cc3)nn(C)c21 1875301044 BAVLZXUQIAMNIV-OLZOCXBDSA-N 338.411 2.586 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)c2ccc(C)cc2C)cc1OC 4685136 CFSNMMRDWKPRSW-UHFFFAOYSA-N 328.368 2.798 30 50 EFEA Cc1ccc(C)c(-c2cc(-c3cn(CCO)nc3C)c(C#N)c(N)n2)c1 67908954 KAILHJJTPHEKQS-UHFFFAOYSA-N 347.422 2.984 30 50 EFEA CC(C)N1C[C@@H](/C(O)=N/[C@H](c2ccccc2)[C@H](C)C(=O)O)CC1=O 328595633 ZPIDNFBVYYLIEJ-NOLJZWGESA-N 332.400 2.662 30 50 EFEA O/C(=N/[C@H]1CCCc2sccc21)N1CCC[C@H]1Cn1ccnn1 329166862 IANARLKZVJBQDA-JSGCOSHPSA-N 331.445 2.796 30 50 EFEA CC(C)[C@H](/N=C(/O)NC1C2CC3CC(C2)CC1C3)c1nncn1C 329415802 CXVXXTCGNIPCJG-CGAUPDFVSA-N 331.464 2.841 30 50 EFEA C=CCCN1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 77452563 KIHMMCLXVAZXHY-LJQANCHMSA-N 328.460 2.566 30 50 EFEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](N(C)CC(C)C)C2 14530495 VYQQSCODYSQSGA-INIZCTEOSA-N 344.503 2.750 30 50 EFEA N#CCc1ccc(NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)cc1 4487114 GBHLNFYNKLHEBS-UHFFFAOYSA-N 341.754 2.953 30 50 EFEA O/C(=N/C[C@@H]1CCCn2ccnc21)N1CCCC[C@H]1c1cc[nH]n1 329535199 LHEYQTUHDYWZQM-ZFWWWQNUSA-N 328.420 2.625 30 50 EFEA CSC1(CNC(=O)C2CCN(c3ccc(C#N)cn3)CC2)CCC1 1875264099 PZLDXDJDKSSSGU-UHFFFAOYSA-N 344.484 2.572 30 50 EFEA N#Cc1ccccc1NC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccccc1C#N 195249712 STCBQKVTUBHVIY-HUUCEWRRSA-N 330.347 2.643 30 50 EFEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)CCS(=O)(=O)c1ccccc1 1506407862 KJSBBZHUALBEEM-HZPDHXFCSA-N 333.453 2.972 30 50 EFEA C#CCN(CC=C)C(=O)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 12725804 RGHPUUIEYOUBTI-IBGZPJMESA-N 338.451 2.506 30 50 EFEA CS(=O)(=O)c1ccc2c(c1)CCN(c1ccc(C#N)cc1)CC2 374678553 VYTNNUJAJDCQQA-UHFFFAOYSA-N 326.421 2.567 30 50 EFEA C#CCCC1(CCNC(=O)[C@H]2C[C@H]2OCc2ccc(OC)cc2)N=N1 2325900309 TTWJGCZKXOPYQV-DLBZAZTESA-N 341.411 2.682 30 50 EFEA CCCCCCCCCCn1c(NCC)nc2c1c(=O)[nH]c(=O)n2C 8396630 ATAAUGDGXAPXHI-UHFFFAOYSA-N 349.479 2.996 30 50 EFEA COc1ccc(C(=O)/C(=C/N(C)C)S(=O)(=O)c2ccccc2)cc1 1396964 QUZGIPCTOCCRNL-LGMDPLHJSA-N 345.420 2.755 30 50 EFEA CCCCOc1cc(N)c([N+](=O)[O-])cc1B1OC(C)(C)C(C)(C)O1 170003321 OZVCPGRBIYMFCY-UHFFFAOYSA-N 336.197 2.655 30 50 EFEA CC[C@@H]1CN(c2ncccc2C#N)CCC(=O)N1Cc1ccccc1 71757173 MOHVYYKSULLGKY-GOSISDBHSA-N 334.423 2.971 30 50 EFEA CN(Cc1ncccn1)[C@H]1CCN(c2ccc3cc(C#N)ccc3n2)C1 365961842 KQMFJATZYIFPKR-KRWDZBQOSA-N 344.422 2.607 30 50 EFEA Cc1cc(C)cc(-c2cc(-c3cn(CCO)nc3C)c(C#N)c(N)n2)c1 71764397 SUKNDMDIKVWXHA-UHFFFAOYSA-N 347.422 2.984 30 50 EFEA COc1cc2c(cc1-c1cc(-c3ccc[nH]3)nc(N)c1C#N)OCCO2 71721601 AOQQJDPITJFKNR-UHFFFAOYSA-N 348.362 2.977 30 50 EFEA COc1ccc(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2OC)cc1C#N 284757099 WBTKHAVBPDDWRL-LMMKCTJWSA-N 330.428 2.583 30 50 EFEA C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO 245190540 OMFXVFTZEKFJBZ-DGONOLKGSA-N 346.467 2.667 30 50 EFEA CC[C@@H]1CCCC[C@@H]1NC(=O)NS(=O)(=O)c1cccc(C#N)c1 1875328482 UTCWKLIMZIRNLE-HIFRSBDPSA-N 335.429 2.515 30 50 EFEA CC1(C)CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@@H]1O 225738230 IKNVUIWMHYKCDN-KRWDZBQOSA-N 340.379 2.573 30 50 EFEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2C(=O)Nc1ccccc1F 100418434 XBGNSOUZLHUNKM-SNVBAGLBSA-N 330.359 2.544 30 50 EFEA Cc1ncsc1CN(C)C[C@@H]1CCN(/C(O)=N/C2CC=CC2)C1 328630915 JWFCYHFZNIWYRR-AWEZNQCLSA-N 334.489 2.838 30 50 EFEA C[C@H](C#N)CN(C[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1 341908722 KFQSLWRNEUYHMF-XLIONFOSSA-N 327.472 2.902 30 50 EFEA CC(=NN1CCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 244787866 QFCSRGFPAOMMAE-UHFFFAOYSA-N 325.372 2.536 30 50 EFEA Cc1cc(CN2CC[C@H](C3CC3)[C@H]2c2nnc(O)n2C)ccc1C#N 1875399292 VCEFFPUJKNZUAW-SJORKVTESA-N 337.427 2.674 30 50 EFEA CCOc1cc(Br)c(F)cc1N=C(O)CN/C(O)=N/C 328596327 GVRMNZDPFTXJRG-UHFFFAOYSA-N 348.172 2.708 30 50 EFEA CC(C)(O)C#Cc1cccc(C(=O)NC[C@H]2OCCc3ccccc32)c1 65426616 UVNUUPDADRKVAV-HXUWFJFHSA-N 349.430 2.853 30 50 EFEA C[C@H](/N=C(/O)C[C@H]1CCCC(O)=N1)C(=O)N1Cc2ccccc2C1 329682988 YXHWTNBYYFCHNY-SWLSCSKDSA-N 329.400 2.773 30 50 EFEA Cc1cc(N=C(O)CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)on1 328628296 HEGSHUVPKGOYIO-YJBOKZPZSA-N 343.431 2.591 30 50 EFEA CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O 331987285 UCBFEWHURHYMKH-QRQLOZEOSA-N 328.456 2.850 30 50 EFEA Cc1ccc(C[C@H](C#N)Sc2nnnn2CC(F)(F)F)cc1 132162473 CQLLAIXHZJFKKA-LLVKDONJSA-N 327.335 2.771 30 50 EFEA CC#CCNC(=O)[C@H]1CCO[C@@H]1c1c(C)nn(-c2ccccc2)c1C 277171453 JCYTYLWKWMPASN-HKUYNNGSSA-N 337.423 2.706 30 50 EFEA Cc1cnc(CS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)o1 170612330 DVDDEYWUANNPQN-UHFFFAOYSA-N 330.287 2.847 30 50 EFEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NC1CCCCCC1)C2 14752203 ZQXUUNVSAGDTIS-MRXNPFEDSA-N 344.503 2.941 30 50 EFEA C=CCOc1ccccc1/C=N/NS(=O)(=O)c1ccc(C)cc1 3661171 HZKOFAIHEBEYCA-QGOAFFKASA-N 330.409 2.872 30 50 EFEA CC[C@]12COC(=O)N1CCN(c1nc3ccccc3c(C)c1C#N)C2 1857675735 DKDBIXYTNPHPDN-IBGZPJMESA-N 336.395 2.836 30 50 EFEA N#CC1(COC(=O)c2c[nH]nc2-c2c(F)cccc2F)CCOCC1 156450987 FGPUDXSDDCYOSF-UHFFFAOYSA-N 347.321 2.832 30 50 EFEA C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H]1CCN1C(=O)OC(C)(C)C 818027112 GEWOKWZZBSODRA-ZIAGYGMSSA-N 336.432 2.522 30 50 EFEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(O)=Nc1cccnc1 328626991 MINMERWGDWFDEV-RDJZCZTQSA-N 325.416 2.647 30 50 EFEA N#Cc1ccc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)cc1 72156992 CYGOYMDCSLLHOJ-OAQYLSRUSA-N 345.446 2.874 30 50 EFEA C#CCCC1(CCC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)N=N1 952882224 SOQDONRADXADGN-UHFFFAOYSA-N 349.394 2.637 30 50 EFEA CC#CC(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 408515885 BCJNOTMABVQZJE-UHFFFAOYSA-N 341.329 2.505 30 50 EFEA COc1ccc(O[C@H](C)C(=O)O/N=C(\N)c2ccc(C)cc2)cc1 4685138 LYMSSRPIMDOJKW-CYBMUJFWSA-N 328.368 2.635 30 50 EFEA N#Cc1cccc(CC/N=C(/O)N2CCC[C@@H]2/C(O)=N/C2CC2)c1 328587880 GLRPKVXVNUEZJO-MRXNPFEDSA-N 326.400 2.598 30 50 EFEA C=C1[C@H]2CC[C@@]3([C@@H]1O)[C@H]1C[C@H]4[C@@]5(CCC[C@@]4(C)CN(CC)[C@@H]15)[C@H]3[C@H]2O 1848350523 OVXLNQAYPUEDSI-KRIQJKDLSA-N 343.511 2.821 30 50 EFEA C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OC(C)C 4113614 QUGKKOSMBOWDCU-INIZCTEOSA-N 330.384 2.831 30 50 EFEA N#Cc1c(F)cccc1N1CCN(C(=O)CCCn2cccc2)CC1 158919146 RKHGPXNOQGZKQL-UHFFFAOYSA-N 340.402 2.628 30 50 EFEA C=C[C@@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 584897110 UIWMZHILOGWGSN-QGZVFWFLSA-N 327.472 2.911 30 50 EFEA CC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Br)ccc1O 291411 HTBXTNVZKLGPNS-LBPRGKRZSA-N 341.230 2.537 30 50 EFEA COc1ccccc1C/C(N)=N/OC(=O)c1ccc(C)c([N+](=O)[O-])c1 8574816 XKNMHYBWPOWHGN-UHFFFAOYSA-N 343.339 2.584 30 50 EFEA N#Cc1cc(C(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)ccn1 281957042 TUAVOZHYWWMDAX-NSHDSACASA-N 349.316 2.715 30 50 EFEA C=CC[C@H](C)CC(=O)N1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 216540997 GJPHJERWEXSWHZ-LOUJCGABSA-N 325.474 2.956 30 50 EFEA N#Cc1ccnc(N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)c1 95385201 MUZDAKHBFDJRRV-CEWLAPEOSA-N 346.434 2.725 30 50 EFEA CN1CCN(C(=O)c2ccnc(-c3ccc(C(C)(C)C#N)cc3)c2)CC1 97578586 CJAPCPWVOQEXBJ-UHFFFAOYSA-N 348.450 2.937 30 50 EFEA C=CC(=O)N(C)c1ccc(C(=O)N2CCc3cc(C#N)ccc32)cc1 1875373795 OURXEIXEDFIMID-UHFFFAOYSA-N 331.375 2.910 30 50 EFEA CC(C)Cn1cc(C(=O)[C@H](C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cn1 170593737 VEVXYXNUAQHHAA-BPUTZDHNSA-N 330.432 2.556 30 50 EFEA Cc1ncsc1C(=O)O[C@H]1CCCN(c2cc(C#N)ccn2)C1 170611840 UZCUPZDFDYQCQT-ZDUSSCGKSA-N 328.397 2.544 30 50 EFEA C=C(C)COc1cc(CN[C@@H](CCSC)C(=O)O)ccc1OC 170612802 WHGCNQGCGMRUOK-AWEZNQCLSA-N 339.457 2.946 30 50 EFEA O=C(C[C@H]1S/C(=N\N=C2CCCC2)NC1=O)Nc1ccccc1 13402468 UNCINGVPFCJGDB-CYBMUJFWSA-N 330.413 2.533 30 50 EFEA C=CC[C@@H](CC)NC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 252492466 MNBWLVIEFOTGLF-HLLBOEOZSA-N 346.475 2.849 30 50 EFEA CSc1nc(-n2ncc(C#N)c2N)c2c3c(sc2n1)CCC3 477096 JRUUSKIQEYSIRK-UHFFFAOYSA-N 328.426 2.541 30 50 EFEA C#CCOc1ccc(NC(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)cc1 110668058 FHNJETLKEHLXLI-PNIPZHNDSA-N 348.468 2.900 30 50 EFEA COC(=O)c1ccc(Oc2c(C#N)c(C(F)(F)F)nn2C)cc1 1391309 TZPQTERVKZPWOS-UHFFFAOYSA-N 325.246 2.889 30 50 EFEA CC(=O)N1CC[C@@H](C/N=C(/O)c2cnn(-c3ccccc3C)c2C)C1 328593411 ZLFQLFAIDGBSCK-INIZCTEOSA-N 340.427 2.662 30 50 EFEA OC1=N[C@H](C2CC2)[C@@H](/N=C(/O)c2ccc(=NCC3CC3)[nH]c2)CC1 329111528 KDEYSANCEBSILR-WMLDXEAASA-N 328.416 2.528 30 50 EFEA COc1ccccc1[C@@H]1O[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@H]2C 137839849 LUFYEGVOQAFEAJ-VHWLVUOQSA-N 336.351 2.670 30 50 EFEA COC(=O)c1cc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)ccc1O 67820520 ZSSGLNAULHSLJP-UHFFFAOYSA-N 348.362 2.700 30 50 EFEA C=CCn1ncc(CN2CC[C@H](c3ccc(F)cc3)[C@@H](O)C2)c1C 1565530908 MYZGNXBLELTDOB-MOPGFXCFSA-N 329.419 2.867 30 50 EFEA CC1(C)CCCN(C(=O)CN2C(=O)CCc3ccccc32)[C@H]1C#N 277977239 QKTHZINSWLYOBU-INIZCTEOSA-N 325.412 2.507 30 50 EFEA O=[N+]([O-])c1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)s1 442033 RWCNRARHAUYOSN-NTUHNPAUSA-N 345.789 2.622 30 50 EFEA Oc1c(Br)cc(Br)cc1/C=N/c1nnc[nH]1 16662135 XLZYRGAKSUHPJX-KGVSQERTSA-N 345.982 2.786 30 50 EFEA C=CCn1c(SCC(N)=O)nnc1-c1ccc(N(CC)CC)cc1 6715197 OLBUTEHUFPOLAC-UHFFFAOYSA-N 345.472 2.555 30 50 EFEA O=C(C[C@H]1COCCN1CC#Cc1ccc(F)cc1)c1ccco1 121066492 CCBORXREKQYOJL-KRWDZBQOSA-N 327.355 2.744 30 50 EFEA C[C@H]1CN([C@H](CNc2ncccc2C#N)c2cccs2)CCO1 252506387 RWMPPLBWDZDRRA-DZGCQCFKSA-N 328.441 2.889 30 50 EFEA Cc1[nH]c(C#N)c(C)c1[C@@H]1CC(=O)Oc2c1c(=O)n(C)c1ccccc21 1431994 LDKSEONQCLTFPC-ZDUSSCGKSA-N 347.374 2.796 30 50 EFEA CNC(=O)c1cccc(-n2ccnc2-c2ccc(C#CCCO)cc2)c1 72431747 WECNBMIFQJPQFQ-UHFFFAOYSA-N 345.402 2.633 30 50 EFEA N#Cc1cc(Br)ccc1N1CC[C@@](O)(C(F)(F)F)C1 181506124 NVGHPSPTOSGNFA-NSHDSACASA-N 335.123 2.824 30 50 EFEA C#CCCC1(CCC(=O)N2CCO[C@@H](COc3ccccc3)C2)N=N1 952879657 GHGWBKRDMXKZSC-QGZVFWFLSA-N 341.411 2.649 30 50 EFEA N=c1[nH]oc2cc(CNC(=O)c3cccc(C#CC4CC4)c3)ccc12 1875359898 SOPKKEDCOXHNAR-UHFFFAOYSA-N 331.375 2.932 30 50 EFEA N#Cc1ccc(CN2CC[C@@H](NCc3cccc4[nH]ccc34)C2=O)cc1 192243235 QFXNSFFVYBPBGQ-HXUWFJFHSA-N 344.418 2.930 30 50 EFEA O=C1Nc2ccccc2/C1=N\Nc1ncnc2sc3c(c12)CCC3 5257524 JRQLCVNCKHDIFO-UHFFFAOYSA-N 335.392 2.948 30 50 EFEA C#CCC(CC#C)C(=O)Nc1nc(-c2cccc(OC)c2)ns1 225706065 SKUIDQLFFCCJKR-UHFFFAOYSA-N 325.393 2.815 30 50 EFEA N#Cc1cccnc1N1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 67675710 KAAILPHQDRSFQY-LJQANCHMSA-N 325.387 2.914 30 50 EFEA COc1cccc(CN=c2[nH]c3c(c(C#N)c2C#N)CCCCCC3)n1 330053976 RFLMIFDLJJSHLJ-UHFFFAOYSA-N 347.422 2.922 30 50 EFEA CCn1ccnc(N2CCC(/N=C(/O)C[C@@H]3C=CCC3)CC2)c1=O 328637029 OLEPJMQOXUQWGD-CQSZACIVSA-N 330.432 2.545 30 50 EFEA O/C(Cc1n[nH]c2ccccc12)=N/[C@H]1CCOC2(CCOCC2)C1 329412633 ATRQJXVVFIZUMN-ZDUSSCGKSA-N 329.400 2.790 30 50 EFEA N#CC1(c2ccc(C(=O)N3CCCC[C@H]3Cn3ccnn3)cc2)CC1 374772096 TXAXSMSQZIUZIX-KRWDZBQOSA-N 335.411 2.528 30 50 EFEA C[C@@H]1CC[C@H](CCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)O1 175344240 LAMWOUBIUMQHNC-HUUCEWRRSA-N 345.418 2.694 30 50 EFEA COc1cccc([C@@H]2O[C@@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@@H]3C)c1 226984305 NTIDUYYKZFRVAA-TZJWZKGTSA-N 336.351 2.670 30 50 EFEA Cc1ccc(N2C[C@H](C)N(C(=O)c3cccc(C#N)c3)CC2=O)cc1 82108351 FKBNVDWZSUWCAC-HNNXBMFYSA-N 333.391 2.744 30 50 EFEA CCn1ccnc1CN(C)[C@H](C(=O)O)c1ccc(C(C)(C)C#N)cc1 95362840 RFCRCRQNFBOPNS-KRWDZBQOSA-N 340.427 2.962 30 50 EFEA N#Cc1cc(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c[nH]1 181333717 AZNZNEKDEDNYTB-CQSZACIVSA-N 348.406 2.643 30 50 EFEA N#Cc1cnc(N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)cn1 280128778 AZKRYEKASGZONM-FZMZJTMJSA-N 334.301 2.679 30 50 EFEA Cc1ccc(S(=O)(=O)O[N@@]2CC2(C(F)(F)F)C(F)(F)F)cc1 1857666666 LCGUTLSKADDWFF-SFHVURJKSA-N 349.252 2.794 30 50 EFEA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@@H]2c1ccc(Cl)cc1 16527354 CGHDKDJSZUBWGM-UAKXVISKSA-N 347.798 2.596 30 50 EFEA N#Cc1cccc(N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)n1 72161767 SBVHMFABDAWONC-CQSZACIVSA-N 326.787 2.820 30 50 EFEA C=CCn1c(=N)n(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 22146281 HTDLODHNCAQPJM-UHFFFAOYSA-N 336.351 2.899 30 50 EFEA COCCN1CCC(c2c(C#N)c(N)nc3c2CCCCC3)CC1 67820238 LHPBQQDBPVNPNW-UHFFFAOYSA-N 328.460 2.630 30 50 EFEA C[C@@H](CO[C@@H]1CCOC1)Nc1ccc(C#N)cc1Br 120062354 OSJIZBFAVZKUQB-CMPLNLGQSA-N 325.206 2.927 30 50 EFEA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(Cc2cc(C#N)ccc2F)C1 284909578 SKQDJOBIXMTWCD-ZBFHGGJFSA-N 341.390 2.655 30 50 EFEA N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 179352130 LYMGIBCTGKMKEY-OAGJVSPASA-N 347.422 2.973 30 50 EFEA C#CCCC1(CCC(=O)NCc2cccc(N3CCCC3=O)c2)N=N1 952882588 VYFGOSAISZLSLV-UHFFFAOYSA-N 338.411 2.785 30 50 EFEA C#CCCC1(CCC(=O)N2CCO[C@H](Cc3ccccc3)C2)N=N1 952880839 IZTHDITVWYCZNE-QGZVFWFLSA-N 325.412 2.812 30 50 EFEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCc4cc(C#N)ccc4C3)n[nH]c21 1875396958 YXJMEYYSSVYYDF-NEPJUHHUSA-N 336.395 2.502 30 50 EFEA C=CCn1cc(C(=O)N2[C@H]3CC[C@H]2CC(CC(F)(F)F)C3)nn1 884937433 IAHONCUQMBMHLY-RYUDHWBXSA-N 328.338 2.800 30 50 EFEA C#Cc1ccc(CN2CCN(Cc3ccsc3)[C@@H](CCO)C2)cc1 19229071 SFYJFEZQKFPAKI-FQEVSTJZSA-N 340.492 2.798 30 50 EFEA C[C@@](O)(CCc1ccccc1)C(=O)NCc1cc(C#N)ccc1F 252507947 WXWILFCFGHGWNM-LJQANCHMSA-N 326.371 2.697 30 50 EFEA C#CCCC1(CCNC(=O)[C@H](CN2CCCC2)c2ccccc2)N=N1 2325891443 HEHYXLQWXOJTTJ-GOSISDBHSA-N 338.455 2.948 30 50 EFEA CC[C@@H](Oc1ccccc1)C(=O)O/N=C(\N)c1cccc([N+](=O)[O-])c1 4978386 KTBWHWOKPSKHDL-OAHLLOKOSA-N 343.339 2.616 30 50 EFEA C=CCn1c(CC)nnc1SCC(=O)Nc1ccc(Cl)cn1 6698356 ACKMYVAEQCWHCA-UHFFFAOYSA-N 337.836 2.806 30 50 EFEA Cc1noc([C@H](N/C(O)=N/[C@@H](C)c2ccco2)C2CCOCC2)n1 328640960 XRJZXLXFNPFQFG-IINYFYTJSA-N 334.376 2.704 30 50 EFEA Cc1noc([C@@H](/N=C(/O)c2cc3occc3[nH]2)C2CCOCC2)n1 328614634 WKXOEMDKYCOLPB-AWEZNQCLSA-N 330.344 2.925 30 50 EFEA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(Cc2cc(F)ccc2C#N)C1 284811891 KVQGVGCWTBNCSO-CVEARBPZSA-N 341.390 2.655 30 50 EFEA COC(=O)c1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1 244873295 WNMSSHCEANHRFO-UHFFFAOYSA-N 337.423 2.625 30 50 EFEA Cc1cc([C@@H]2CCCCN2S(=O)(=O)c2cccc(C#N)c2)n[nH]1 952995552 PUFQQMGKPYOQOH-INIZCTEOSA-N 330.413 2.506 30 50 EFEA CS(C)(=O)=NC[C@H]1CCCN(c2ncc(C#N)cc2Cl)C1 952993726 PXESTOJXTVNFNR-LLVKDONJSA-N 326.853 2.551 30 50 EFEA CCc1nc(C2CCN(C(=O)/C=C/c3cccc(C#N)c3)CC2)n[nH]1 191502907 SEMPZEWPKHHMQE-VOTSOKGWSA-N 335.411 2.658 30 50 EFEA C#CCCC1(CCC(=O)N2CCC(Nc3cc(C)ncn3)CC2)N=N1 2325891751 DFYCONBPBSEGRS-UHFFFAOYSA-N 340.431 2.544 30 50 EFEA C#CCCC1(CCC(=O)Nc2nc3ccc(C(=O)OC)cc3[nH]2)N=N1 2325894816 RANMAMBAXYDORD-UHFFFAOYSA-N 339.355 2.644 30 50 EFEA COc1ccc(OC)c([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)c1 1429746 IUJJZDHMHDHDOR-AWEZNQCLSA-N 344.411 2.503 30 50 EFEA O/C(=N/[C@H]1CCCN(c2cccnn2)C1)[C@H]1C[C@@H]1c1cccc(O)c1 328588744 NWNKQVYKOUHZSQ-UAGQMJEPSA-N 338.411 2.911 30 50 EFEA COc1cc2c(cc1CN1CCN(c3ncccc3C#N)CC1)CCC2 218384161 ZXXZBRFZHAJXAO-UHFFFAOYSA-N 348.450 2.773 30 50 EFEA Cc1ccc(S(=O)(=O)N/N=C/c2cc3ccccc3cn2)cc1 43761466 OOGACYGELHCCPT-XDHOZWIPSA-N 325.393 2.856 30 50 EFEA N#Cc1ccc(CN2C(=O)C[C@H](Cc3ccc(F)cc3)C2=O)cc1F 188017515 CGHCOSQULDSWOH-HNNXBMFYSA-N 340.329 2.954 30 50 EFEA C#Cc1cccc(C(=O)NC[C@H]2CC(Cc3ccc(F)cc3)=NO2)c1 11965765 GNHXBIYKJNSZJT-LJQANCHMSA-N 336.366 2.924 30 50 EFEA C=C(C)Cn1c(-c2nccn2C)nnc1N1CC[C@@H](c2ccco2)C1 1263345327 GUVUOMQRQCXSBA-CQSZACIVSA-N 338.415 2.842 30 50 EFEA CC1=NN(Cc2ccccc2)C(=O)[C@@H]1[C@H](c1ccncc1)C(C#N)C#N 271773 MXVQLLCNOKPDHM-RBUKOAKNSA-N 343.390 2.863 30 50 EFEA C[C@H](Oc1ccccc1C#N)C(=O)NCc1nccn1-c1ccccc1 253393139 UOEHNUIBWYGWII-HNNXBMFYSA-N 346.390 2.828 30 50 EFEA CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)c1cccc(F)c1C#N 366506205 RQGGUMDSFGXOME-STQMWFEESA-N 329.354 2.541 30 50 EFEA N#Cc1cnc(N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)c(F)c1 685943251 UKDNXUGNBUNXTK-KGLIPLIRSA-N 338.390 2.718 30 50 EFEA C=C(C)CNC(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1 408514234 KGDLJPQCTHIIBO-UHFFFAOYSA-N 325.796 2.505 30 50 EFEA C=CC[C@H](CC)NC(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 252479865 BOFOHEXCQGHNDK-BQFCYCMXSA-N 329.444 2.860 30 50 EFEA Cc1cccc([C@H]2CCCN2S(=O)(=O)Cc2csc(C#N)c2)n1 914258537 YEWDHODWAXLRKX-MRXNPFEDSA-N 347.465 2.990 30 50 EFEA N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(F)c(F)c3)C2)nc1 367829429 KJYHOUYIKDNVCS-CYBMUJFWSA-N 329.306 2.525 30 50 EFEA C#CCN(Cc1ccc(C)cc1)C1=CC(=O)N(c2ccccc2)C1=O 2325825812 CTLBHGIKLISANM-UHFFFAOYSA-N 330.387 2.888 30 50 EFEA O=C(O)/C(Cl)=C(Cl)/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4827946 MNVXJIABGNKCND-RFXXRNEGSA-N 349.086 2.675 30 50 EFEA CCCCCCCCCCCC(=O)OC[C@H](O)CS(=O)(=O)O 101022766 QSCVMVDOAMAIHJ-AWEZNQCLSA-N 338.466 2.699 30 50 EFEA CCOc1ccc([C@@H](O)C2CCN(c3cnc(C#N)cn3)CC2)cc1 365706085 WUYHRQMYRVQEPG-LJQANCHMSA-N 338.411 2.697 30 50 EFEA COc1ccc(F)cc1CN1CCN(c2ccc(C#N)cc2)C(=O)C1 82107832 LJRDAKSTEILEEU-UHFFFAOYSA-N 339.370 2.555 30 50 EFEA CCN(C)[C@@H](C)CCNC(=O)N1CCC(C#N)(c2ccccc2)CC1 534669262 YBBPOIQVKJMLQL-KRWDZBQOSA-N 342.487 2.984 30 50 EFEA COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@H]1CO1)CC2 1875372809 MUVWOTKPZWZAJE-WBVHZDCISA-N 345.420 2.638 30 50 EFEA Cc1nc(NCc2nnc([C@@H]3CCCOC3)o2)c(Cl)cc1C#N 886079311 QVODLZLKUNXLMC-SNVBAGLBSA-N 333.779 2.804 30 50 EFEA C[C@H]1CC(C)(C)OB(c2ccc(I)cc2)O1 169807041 LTEDPPGGUGAOAC-VIFPVBQESA-N 329.974 2.590 30 50 EFEA in-vitro CC(C)c1nnc2n1CCN(C(=O)CCc1ccc(C#N)cc1)[C@@H]2C 188793777 PAKWHVOGCLTGFZ-CQSZACIVSA-N 337.427 2.809 30 50 EFEA N/C(=N\OC(=O)CCCc1ccccc1)c1cccc([N+](=O)[O-])c1 13154026 SPRBSLNYUREYFM-UHFFFAOYSA-N 327.340 2.781 30 50 EFEA COc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)c(OC)c1 22608027 PHGUCKHXFCGNES-QGHHPUGFSA-N 340.383 2.563 30 50 EFEA C=CCNC(=O)c1ccccc1NC(=O)COc1ccc(OC)cc1 2837934 FQUXVQLJHCEMAB-UHFFFAOYSA-N 340.379 2.629 30 50 EFEA CC(C)c1nnc2n1CCN(C(=O)c1ccc(F)c(C#N)c1)[C@H]2C 367676000 RZBNYMXSGCXVTB-NSHDSACASA-N 327.363 2.629 30 50 EFEA C=CCn1c(SCC(N)=O)nnc1[C@@H](C)Oc1ccc(C)cc1C 17072148 HDDHGXPNLUHKOF-CYBMUJFWSA-N 346.456 2.798 30 50 EFEA C=CCc1cc(C(=O)NCCCn2c(C)cccc2=O)ccc1OC 220143740 DSUUCUYHXILMPA-UHFFFAOYSA-N 340.423 2.714 30 50 EFEA C=CCn1c(SCc2csc(C)n2)nnc1C1CCNCC1 426361873 BPXRSJGZXCUXGW-UHFFFAOYSA-N 335.502 2.988 30 50 EFEA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C 253671787 LCZBQMKVFQNSJR-AIGJGIFASA-N 346.467 2.809 30 50 EFEA C#CC[C@@H]1CCN(C(=O)c2nc(-c3ccccc3)n3c2COCC3)C1 1875272529 SEXCADXLDBAEHC-OAHLLOKOSA-N 335.407 2.566 30 50 EFEA O=C1c2ccccc2C(=O)N1/N=C/c1ccc(O)c(Br)c1 353737 JXADMLCEJTXWTH-CAOOACKPSA-N 345.152 2.785 30 50 EFEA Cc1noc([C@H](Nc2ncc(C#N)cc2Cl)C2CCOCC2)n1 328611828 MUNGGOHHGFBSJH-CYBMUJFWSA-N 333.779 2.878 30 50 EFEA CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(Cc2cccc(C#N)c2)C1 339081491 ICQPXFDPROKMLD-LSDHHAIUSA-N 325.334 2.590 30 50 EFEA O=S(=O)(/N=C/c1cc(Br)ccc1O)c1ccccc1 263524 QKRLYSMDFHASKU-OQLLNIDSSA-N 340.198 2.963 30 50 EFEA CCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)cc1OC 2341981 HTQKSKYLRZBAIN-INIZCTEOSA-N 333.384 2.788 30 50 EFEA CC(C)Oc1cncc(/C(O)=N/C[C@@H]2CCC[C@@]23N=C(O)N=C3O)c1 330166187 XSMPRODHKUTKCV-YVEFUNNKSA-N 346.387 2.596 30 50 EFEA CCN(CC)CC#C[C@@H](C)OC(=O)c1cccc(Cn2ccnc2)c1 242147520 WSKAPUJRFIQVSA-QGZVFWFLSA-N 339.439 2.822 30 50 EFEA CCn1cc(CN2CCN(c3ncnc4ccccc34)CC2)cc1C#N 72133837 BASSQVGISSNMAF-UHFFFAOYSA-N 346.438 2.645 30 50 EFEA N#Cc1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)cc1 91468757 FMBIMDZZRHVPGX-RTBURBONSA-N 346.434 2.690 30 50 EFEA Cc1cc(Br)cc2c1CN(c1cc(C#N)ncn1)CC2 408514518 JQTZOVVKWZCLDX-UHFFFAOYSA-N 329.201 2.982 30 50 EFEA COCCOc1ccc(CC(=O)N2CCc3cc(C#N)ccc32)cc1 408521728 OLYTUJYRWAUZBL-UHFFFAOYSA-N 336.391 2.715 30 50 EFEA COc1ccc(OC)c(/C=N/n2c(S)nnc2-c2cccnc2)c1 1242204 PARRSPNWAWYGJY-VCHYOVAHSA-N 341.396 2.528 30 50 EFEA C=CC[C@H]1CC=C[C@H](C)N1CC(=O)NCc1cc(C(=O)O)ccc1C 1616076965 WAFGZKROGOHAHU-YJBOKZPZSA-N 342.439 2.905 30 50 EFEA N#Cc1ccccc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 152721249 JPOFYEKNJARIJZ-UHFFFAOYSA-N 342.355 2.684 30 50 EFEA C#CCCC1(CCC(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)N=N1 2325886407 WBXJORSUCDDZHB-GOSISDBHSA-N 348.410 2.635 30 50 EFEA Cc1cc(C#N)nc(N2CCN(Cc3cccc(Cl)c3)CC2)n1 225536868 YUEPDVISPQYCGL-UHFFFAOYSA-N 327.819 2.632 30 50 EFEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2ncc(Cl)cc2F)C1 328610342 HILYCHKLFNZKQS-CQSZACIVSA-N 339.758 2.648 30 50 EFEA CC(C)O[B-](OC(C)C)(OC(C)C)c1cccc(C2OCCO2)n1 390823540 CALSJIQVKXUOFU-UHFFFAOYSA-N 338.233 2.548 30 50 EFEA Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 269390066 VCLCEYDCGSPSDH-CZUORRHYSA-N 330.819 2.895 30 50 EFEA C[C@@H](NCC#Cc1ccc(F)cc1)c1cccc(NS(C)(=O)=O)c1 119025468 AKZICPBEGWQUCS-CQSZACIVSA-N 346.427 2.900 30 50 EFEA CCn1ccnc(N2CCC(/N=C(/O)C[C@H]3C=CCC3)CC2)c1=O 328637027 OLEPJMQOXUQWGD-AWEZNQCLSA-N 330.432 2.545 30 50 EFEA CCOC(=O)c1cccc(-c2cc(-c3cnn(C)c3)c(C#N)c(N)n2)c1 71746438 IPDRCEAWNBTJIL-UHFFFAOYSA-N 347.378 2.780 30 50 EFEA CN(CCC#N)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 241739173 RASCISHUOAQCBL-KSZLIROESA-N 339.439 2.832 30 50 EFEA CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc2ccccc2[nH]1 241837476 SKKYXWVUMGCCKQ-QGZVFWFLSA-N 328.372 2.763 30 50 EFEA COCc1nc(C)c(C(=O)O[C@H](C)CC#Cc2cccnc2)s1 888099554 QIANGZDMANMCOM-GFCCVEGCSA-N 330.409 2.980 30 50 EFEA C#CCNCC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 1343247507 GEBQPYHWJRTLHL-CQSZACIVSA-N 343.427 2.666 30 50 EFEA COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)NC(C)(C)C 712327157 PBCBEQUQDKPZMV-UHFFFAOYSA-N 348.252 2.914 30 50 EFEA CC(C)Oc1cncc(/C(O)=N/C[C@@H]2CCC[C@]23N=C(O)N=C3O)c1 330166186 XSMPRODHKUTKCV-SJCJKPOMSA-N 346.387 2.596 30 50 EFEA CC(C)NC(=O)[C@H](C#N)C(=O)c1c[nH]nc1-c1ccc(F)c(Cl)c1 155711502 DREUBZAMAMMZGF-SNVBAGLBSA-N 348.765 2.716 30 50 EFEA Cc1cc(C)c(C#N)c(NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)n1 284901336 OOEPZTTVNGLSQX-MAUKXSAKSA-N 338.459 2.799 30 50 EFEA C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 239358457 NIVUXOQOVIGZAB-ZOBORPQBSA-N 336.439 2.900 30 50 EFEA N#Cc1cc2c(nc1N1CCCN(Cc3ccncc3)CC1)CCCC2 77459311 QPSCTAQKMLHLLK-UHFFFAOYSA-N 347.466 2.939 30 50 EFEA N#CCSCC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 189542850 DWUJXMWYEBPTOP-UHFFFAOYSA-N 329.347 2.760 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1 19300860 HIEYXBURGQZTNM-INIZCTEOSA-N 326.396 2.859 30 50 EFEA CCOc1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 5012139 YKJZUANDGXTUGG-UHFFFAOYSA-N 334.379 2.678 30 50 EFEA O/C(=N/[C@@H]1CCCN(c2nccnc2O)C1)[C@@H]1C[C@@H]1c1ccccc1 328635379 NIPVIZPJTKGFGA-BZUAXINKSA-N 338.411 2.911 30 50 EFEA N#Cc1cccnc1NCCOC(=O)c1cc2ccncc2cc1F 2325854183 RIARZWVKCWSUSE-UHFFFAOYSA-N 336.326 2.909 30 50 EFEA C#CCCC1(CCC(=O)NCc2ccnn2Cc2ccccc2)N=N1 2325901192 XSHJWWKRDYVPEC-UHFFFAOYSA-N 335.411 2.903 30 50 EFEA C=CCN1C[C@@H](C(=O)N(C)CCOc2cc(C)cc(C)c2)CCC1=O 55036412 YESACPAGMLDLKZ-KRWDZBQOSA-N 344.455 2.565 30 50 EFEA COc1nccc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)c1C#N 67886398 LWVJPGHKMGQSTI-UHFFFAOYSA-N 349.369 2.866 30 50 EFEA C=CC[C@@H](CC)NC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 253430754 LJGGKHFFVBHTDV-MRXNPFEDSA-N 345.443 2.564 30 50 EFEA C#CCCC1(CCC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)N=N1 1875368580 BWSDPGSMKUKAKA-GOSISDBHSA-N 335.411 2.821 30 50 EFEA C=CCN1C(=O)COc2ccc(NC(=O)c3ccc(OC)cc3)cc21 12164096 ZFZKPFRZTBMIDY-UHFFFAOYSA-N 338.363 2.859 30 50 EFEA CCCC(=O)C1=C(Nc2ccncc2)CC(C)(C)[C@H](C(=O)OC)C1=O 234617 FOZBUBKTCOZNFF-INIZCTEOSA-N 344.411 2.905 30 50 EFEA Cc1ccc(S(=O)(=O)OCCCOc2ccc(C=O)cc2)cc1 3121998 LVORQNKZFBKXTB-UHFFFAOYSA-N 334.393 2.982 30 50 EFEA COc1cc(/C=N/NNc2nc(C)cc(C)n2)ccc1OC(F)F 170621881 NNTPGSALLKMAAL-QGMBQPNBSA-N 337.330 2.654 30 50 EFEA CCn1cc([C@H]2OCC[C@@H]2/N=C(/O)c2cccc3c[nH]nc23)cn1 328628304 NNMGYNOPBNINIY-GOEBONIOSA-N 325.372 2.614 30 50 EFEA N#Cc1c(N)nc2c(c1-c1cccc(Cn3cccn3)c1)COCC2 71745291 LUSHAHYYVSNPOJ-UHFFFAOYSA-N 331.379 2.520 30 50 EFEA O=C1Nc2ccccc2C1=NNC(=S)N/N=C/C=C/c1ccccc1 670431501 LLRPBRCJJBQTRC-YKIVCEQRSA-N 349.419 2.506 30 50 EFEA COc1ccc(C(=O)O/N=C(\N)c2ccccc2Cl)cc1OC 4191557 QASYRVOWGACADM-UHFFFAOYSA-N 334.759 2.835 30 50 EFEA C#CCCC1(CCC(=O)NC[C@H]2CCCN2Cc2ccccn2)N=N1 2325898758 YPPLHRLUMKKGKZ-QGZVFWFLSA-N 339.443 2.518 30 50 EFEA CN(C)c1ccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)cc1 67921150 UVEXKDRABTUKJL-WMLDXEAASA-N 333.439 2.960 30 50 EFEA COc1cccc([C@@H]2C[C@@H](C)CN2CC(=O)N[C@@](C)(C#N)C2CC2)c1 374603813 LRXMACOXPSFGJY-WNYOCNMUSA-N 341.455 2.887 30 50 EFEA N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@H](c1ccncc1)O3 138098424 CVUIEDKBCHRKOC-LTCOOKNTSA-N 333.351 2.590 30 50 EFEA C=CC(=O)N1CCC(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 1875369218 AYUFLBOUDVRRJK-QGZVFWFLSA-N 325.412 2.572 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H](CO)c2csc(C(C)C)n2)N=N1 2325892398 LXTZZHBHHGAXRE-LBPRGKRZSA-N 334.445 2.772 30 50 EFEA N#Cc1ccc(NC[C@@H]2COC3(CCOCC3)O2)c(C(F)(F)F)c1 129628226 WMRPPQPEAGJDIF-GFCCVEGCSA-N 342.317 2.911 30 50 EFEA N#C[C@H]1CCCN(C(=O)NC2CCN(c3ccc(F)cc3)CC2)C1 426551378 TYHJPGLXQAPCFQ-CQSZACIVSA-N 330.407 2.740 30 50 EFEA C#CCC[C@H]1CCCCN1C(=O)c1cccc2c1O[C@@H](C)C(=O)N2 1875329632 AXXHKJHXWDTULP-KBPBESRZSA-N 326.396 2.814 30 50 EFEA N#Cc1cc(NCc2ccon2)cc(NCc2ccon2)c1[N+](=O)[O-] 301469731 IHDWTCYFTGHGDY-UHFFFAOYSA-N 340.299 2.667 30 50 EFEA C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NC1(C#N)CCOCC1 189541273 AOOMEEIITONKEN-LLVKDONJSA-N 342.317 2.662 30 50 EFEA CC(=O)OC1CC(C)(C)N(OC(=O)c2ccc(N)cc2)C(C)(C)C1 269191 BVCXOEIOBRWZCA-UHFFFAOYSA-N 334.416 2.925 30 50 EFEA C#CCOc1ccc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc1 2970224 YYDRNYZNAQQJAM-UHFFFAOYSA-N 334.327 2.881 30 50 EFEA N#Cc1cccc(N2CCC[C@](CO)(Cc3ccccc3F)C2)n1 67773355 AKLCLANCQCLUGI-IBGZPJMESA-N 325.387 2.914 30 50 EFEA O/C(=N/[C@@H]1CCCN(c2nccnc2O)C1)c1cccc2c1CCC2 328632251 LGECGGDAKZSRQF-CQSZACIVSA-N 338.411 2.645 30 50 EFEA C[C@H]1CN([C@@H](CNc2cccc(C#N)n2)c2cccs2)CCO1 175043988 FLDZNSGEBVDMSW-ZFWWWQNUSA-N 328.441 2.889 30 50 EFEA C=CCn1c(S)nc(=O)c2c(C(=O)O)cc(-c3cccs3)nc21 20615917 FQSAXSCPUIMTFL-UHFFFAOYSA-N 345.405 2.693 30 50 EFEA COc1ccc(OC)c(C=NN2CCN(Cc3ccccc3)CC2)c1 245238060 DZLGTZHPWWBYFB-UHFFFAOYSA-N 339.439 2.856 30 50 EFEA CC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 257355837 CXDWHYOBSJTRJU-LTGKAUERSA-N 346.467 2.809 30 50 EFEA C#CCCC1(CCC(=O)NCc2ccc3c(c2)OCCCO3)N=N1 952880278 FHIBXARVTCLVAC-UHFFFAOYSA-N 327.384 2.820 30 50 EFEA O=C(c1cccc(C#CCO)c1)N1CC[C@@H]2CC[C@@]21c1cccnc1 888832773 BVTUJWRGRCMISC-RXVVDRJESA-N 332.403 2.577 30 50 EFEA C[C@H](CNC(=O)c1ccnc(C#N)c1)c1nc(-c2ccccc2)no1 193701202 SUWFUHFJHAMZDN-GFCCVEGCSA-N 333.351 2.537 30 50 EFEA C#CCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2C)C1=O 13522057 SRUZBKBXJVXZOP-VBKFSLOCSA-N 342.420 2.501 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(O)c1 19772407 RCDUYZIBSAJFDD-KRWDZBQOSA-N 343.379 2.542 30 50 EFEA N#Cc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc12 382326 BVOGMTMQYMRVTH-UHFFFAOYSA-N 333.347 2.558 30 50 EFEA OCC#Cc1csc(CN(Cc2ccccn2)C[C@@H]2CCCO2)c1 55119613 TYRKWRJEKFVJOQ-SFHVURJKSA-N 342.464 2.668 30 50 EFEA CN(C)c1ccc(N[C@@H]2CCCN(c3ncccc3C#N)CC2)cn1 328632243 LFNULVFTSZXSCV-MRXNPFEDSA-N 336.443 2.885 30 50 EFEA CN(C)c1ccc(N[C@@H]2CCCN(/C(O)=N/CC3CC3)CC2)cn1 328622048 AXMVGPVNPRZISU-OAHLLOKOSA-N 331.464 2.738 30 50 EFEA C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2cccc(C#N)c2)C1 240555639 GWUKFLYSNZVKTM-INMHGKMJSA-N 347.484 2.584 30 50 EFEA CCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C 97976919 BQVNSVJIBFQFEM-UHFFFAOYSA-N 338.477 2.803 30 50 EFEA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1c[nH]c2ccccc12)[C@@H]1C[C@@H]31 245226763 KHLAISZHHLNBQU-WUGIYAPVSA-N 331.375 2.555 30 50 EFEA COc1ccc(-c2ccc(C#N)c(SCC(=O)NC3CC3)n2)cc1 5611723 FTPFTDYWRHDTIA-UHFFFAOYSA-N 339.420 3.000 30 50 EFEA CCC(=O)/N=C(\NC(=O)CC)Nc1nc(C)c2cc(C)c(C)cc2n1 4548516 PUEQHQXSGSJTRY-UHFFFAOYSA-N 341.415 2.786 30 50 EFEA COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1F 62220 FUEIPQMJCLUJET-CQSZACIVSA-N 345.370 2.926 30 50 EFEA C=CCn1nnnc1SCC(=O)Nc1ccc(Cl)cc1Cl 8020410 BZGGPBOZQHDTHR-UHFFFAOYSA-N 344.227 2.897 30 50 EFEA Cc1noc(C[C@H](/N=C(/O)N2CCCO[C@H](C)C2)c2ccccc2)n1 330261344 UFDMGFCBIDSQBY-CJNGLKHVSA-N 344.415 2.687 30 50 EFEA Cn1cc(/C(O)=N/[C@@H]2C[C@@H]2c2ccccc2F)c([C@@H]2CCOC2)n1 328636976 VVLBMYIOYATKDZ-AXAPSJFSSA-N 329.375 2.924 30 50 EFEA N#C[C@H](NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)C1CC1 154879475 ZPTFPQOEXKGCGF-SFHVURJKSA-N 333.391 2.502 30 50 EFEA COC(=O)c1ccccc1N(C)C(=O)COc1cccc(F)c1C#N 182387700 ROUCLOJDXDQDHR-UHFFFAOYSA-N 342.326 2.526 30 50 EFEA Cc1nsc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1C#N 298225621 AMIYOZUQRIHNSG-VXGBXAGGSA-N 341.392 2.837 30 50 EFEA N#Cc1ccc(C2CCN(S(=O)(=O)C3[C@@H]4CCCC[C@@H]34)CC2)nc1 1875290495 MDWUKCVQWVVMRV-HZPDHXFCSA-N 345.468 2.651 30 50 EFEA CCN1CCC[C@@H](CN(C)c2ccc(C#N)cn2)[C@@H]1c1cnn(C)c1 328630373 PTHVFKTVLFNTGT-QFBILLFUSA-N 338.459 2.596 30 50 EFEA CCOC(=O)c1cnn(CC(=O)Nc2cccc3ccccc23)c1C#N 241435122 NKUOSPXLQAXCMY-UHFFFAOYSA-N 348.362 2.723 30 50 EFEA C=CCN1CC[C@H](N[C@H](C(=O)Nc2ccccc2)c2ccccc2)C1=O 252509737 YUNWVFIQIZNGLP-OALUTQOASA-N 349.434 2.743 30 50 EFEA COc1ccccc1C/C(O)=N/C1CC(N(CC(=O)O)CC2CC2)C1 328627485 GHFYEPBTTAKAKG-UHFFFAOYSA-N 346.427 2.522 30 50 EFEA CC/N=C(\NCC)S[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 95532301 KVZNZPAIRBYLEN-LBPRGKRZSA-N 339.848 2.691 30 50 EFEA CNC(=O)Cc1nc(-c2ccc(C#N)cc2)cc(-c2c(C)noc2C)n1 823825757 UNKHEVKORZOPTO-UHFFFAOYSA-N 347.378 2.576 30 50 EFEA C=CCc1cc(C(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)ccc1OC 952961359 JRQWPQATKDERLD-HNNXBMFYSA-N 344.455 2.753 30 50 EFEA N/C(=N\OC(=O)Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 5044381 VKGUZIWRTIFUST-UHFFFAOYSA-N 333.731 2.654 30 50 EFEA N#Cc1ccc(N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)c(F)c1 818145879 RUJXWKMJFIVXRY-SFHVURJKSA-N 342.374 2.532 30 50 EFEA C=CC(C)(C)NC(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 929358946 QVHDFRAKJFFOTK-VXGBXAGGSA-N 338.477 2.838 30 50 EFEA C#CCCC1(CCNC(=O)CCC(=O)Nc2c(F)cccc2F)N=N1 2325891633 RZXZYRGNJKDRFR-UHFFFAOYSA-N 348.353 2.765 30 50 EFEA Cc1nc(CC(C)C)sc1/C(O)=N/CC1(C(=O)O)CCOCC1 331166247 BHEMDQYAIAJNQL-UHFFFAOYSA-N 340.445 2.836 30 50 EFEA O/C(=N/[C@@H]1CCO[C@@H](C2CC2)C1)Nc1cn(Cc2ccccc2)nn1 328588886 YETLFIKLTSNZJG-HZPDHXFCSA-N 341.415 2.610 30 50 EFEA O=C(O)/C(=N/Nc1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F 2383802 WWJUIZMNOHIYHX-FBCYGCLPSA-N 328.168 2.689 30 50 EFEA COc1ccc(C#N)cc1CN1CCCC[C@H]1CN1CCCC1=O 370844880 XOYFXDQVAOHMCU-KRWDZBQOSA-N 327.428 2.544 30 50 EFEA COC(=O)[C@H](C#N)c1cc(Br)c(Cl)cc1[N+](=O)[O-] 95494773 MDXNPQYBWWSCHR-ZCFIWIBFSA-N 333.525 2.791 30 50 EFEA CC[C@@H](CC#N)NCc1c(Br)n[nH]c1Br 888093446 QDUPUBRDCZWQHG-LURJTMIESA-N 336.031 2.717 30 50 EFEA C=CCN(CC=C)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 12864381 BMXGFRLDQNVRKJ-UHFFFAOYSA-N 330.403 2.879 30 50 EFEA COC(=O)[C@H](CNc1nccc(C#N)c1Cl)Cc1ccc(O)cc1 225651382 QHMVNTMLCFDVAV-ZDUSSCGKSA-N 345.786 2.756 30 50 EFEA C[C@H](Oc1cccc(C#N)c1)C(=O)NC[C@@H](CO)CC1CCCC1 225622259 PDEVBAJDSLAAPS-YOEHRIQHSA-N 330.428 2.631 30 50 EFEA C=CCn1cc(CNCCNC(=O)c2ccccc2Cl)c(C)n1 55060785 ZVAVHQYEPMYITH-UHFFFAOYSA-N 332.835 2.551 30 50 EFEA Cc1ccc(S(=O)(=O)OC[C@@H]2CCN2C(=O)OC(C)(C)C)cc1 34372780 GHOGMHPEFWQXQZ-ZDUSSCGKSA-N 341.429 2.710 30 50 EFEA C(#Cc1nc2ncccc2nc1OCCN1CCCC1)c1ccccc1 72180432 MNYJJHBAEYKXEG-UHFFFAOYSA-N 344.418 2.899 30 50 EFEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2cc(C)nc(C(C)C)n2)C1 328610390 HPSQWDJGRZQXIW-KRWDZBQOSA-N 344.419 2.682 30 50 EFEA C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 253428513 AQZSCYKGZFARCG-RTBURBONSA-N 346.446 2.841 30 50 EFEA CN(C(=O)CNC(=O)c1ccc(Cl)cc1Cl)C1(C#N)CCC1 154066778 YMAPPBBPAZUIMO-UHFFFAOYSA-N 340.210 2.628 30 50 EFEA Cc1nsc(NCc2ccccc2CN2CCC[C@H]2CO)c1C#N 283783583 QVINTQNPZPTWJQ-INIZCTEOSA-N 342.468 2.892 30 50 EFEA CCc1ccccc1OCCN1CCN(c2ccc(C#N)cc2)C(=O)C1 91943326 ZGOFJSQSTQCOCU-UHFFFAOYSA-N 349.434 2.848 30 50 EFEA C=CCn1cc(CN(Cc2ccncc2)C2CCN(C)CC2)cn1 1506405121 LBZASCMIEHMUMY-UHFFFAOYSA-N 325.460 2.561 30 50 EFEA COc1cc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)ccc1O 1277376 WLPNKKAPVNBANH-GIJQJNRQSA-N 344.371 2.969 30 50 EFEA C#CCCC1(CCNC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)N=N1 2325891716 XUBPBUPXHXMQCB-IAGOWNOFSA-N 325.412 2.889 30 50 EFEA N#CCCN(C(=O)C[C@@H]1COC(=O)C1)C12CC3CC(CC(C3)C1)C2 133735651 KIVWEMXOPGZXLU-DZPQGLOJSA-N 330.428 2.651 30 50 EFEA COC(=O)[C@@H](CNc1nccc(C#N)c1Cl)Cc1ccc(O)cc1 225651408 QHMVNTMLCFDVAV-CYBMUJFWSA-N 345.786 2.756 30 50 EFEA C[C@H]1CSc2ccccc2N1S(=O)(=O)c1ccc(C#N)nc1 126030618 RNKOPYQVGYMXSU-NSHDSACASA-N 331.422 2.643 30 50 EFEA Cc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c(O)c1 123508916 WWKZIZJCPWRBAJ-SFHVURJKSA-N 335.407 2.723 30 50 EFEA Cn1cc(C#N)cc1C(=O)N1CCC[C@H](Cn2cnc3ccccc32)C1 366627709 FVJGQTNDSNJHDL-HNNXBMFYSA-N 347.422 2.799 30 50 EFEA CC(=O)N1CC[C@@H](NC(=O)COc2ccccc2C#N)c2ccccc21 366956034 WLPQDSCJDVEEKJ-QGZVFWFLSA-N 349.390 2.551 30 50 EFEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)Cc2cccs2)cc1 220249785 VZDIUMIGPJGVCV-IAGOWNOFSA-N 342.420 2.515 30 50 EFEA CCc1nnc(N2CCN(c3ccc(O)cc3)CC2)c(C#N)c1CC 301612451 FXIIFAJVGSCLAU-UHFFFAOYSA-N 337.427 2.505 30 50 EFEA C#CCOc1ccccc1NC(=O)N[C@H]1CCO[C@]2(CCSC2)C1 188088237 XMGUJJPUOVKKBB-KBXCAEBGSA-N 346.452 2.875 30 50 EFEA N#Cc1ccccc1CN1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857681344 JTLKKLGBEIJDLM-OAQYLSRUSA-N 347.418 2.808 30 50 EFEA CCc1oc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1C 367842554 XRWJGXUHYNEMIW-CQSZACIVSA-N 325.368 2.711 30 50 EFEA CCn1cc(CN2CCN(CCOc3ccccc3)CC2)cc1C#N 72412502 NECPARBOCZWLIH-UHFFFAOYSA-N 338.455 2.576 30 50 EFEA CC(C)c1cc(C(=O)Nc2ncccc2OCCCC#N)nn1C 173398844 IXKHJZWFQUPBJS-UHFFFAOYSA-N 327.388 2.873 30 50 EFEA Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1cn2ccccc2c1C#N 374467086 AFLJQGTXFGSNGV-IBGZPJMESA-N 349.438 2.735 30 50 EFEA Cc1ccc2[nH]cc(C#N)c(=NCc3nnc([C@H]4CCCOC4)o3)c2c1 886079064 CRSIXKHTGOMMRW-ZDUSSCGKSA-N 349.394 2.726 30 50 EFEA C[C@H](Oc1cccnc1)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 1776007501 HUARSFQCTVBSJU-KBPBESRZSA-N 346.236 2.544 30 50 EFEA N#Cc1ccc(NC(=O)N2CC(Cc3ccc(F)c(F)c3)C2)nc1 1434737867 JAMQPUGEPCLURN-UHFFFAOYSA-N 328.322 2.938 30 50 EFEA Cc1ccc(CN2CCN(/N=C/c3ccccc3C(=O)O)CC2)cc1 232192 NAZNHYNGBYEIET-KGENOOAVSA-N 337.423 2.845 30 50 EFEA Cc1cc(C)c(S(=O)(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(C)c1 169904700 NYZMFQDOEYZPDE-LICLKQGHSA-N 347.396 2.832 30 50 EFEA Cc1nnccc1N=C(O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 329596680 ITCYVLXPCMSWCA-HNNXBMFYSA-N 340.383 2.939 30 50 EFEA N#Cc1ccc(NC(=O)CCN2CCN(C3CCCCC3)CC2)cc1 141816242 UCAPIIPHYHBXGW-UHFFFAOYSA-N 340.471 2.837 30 50 EFEA C#CCCC1(CCC(=O)NCCNc2cc(OC)cc(OC)c2)N=N1 2325892133 AQCYSODIEAIZPY-UHFFFAOYSA-N 344.415 2.588 30 50 EFEA C#CCOCCOCCOP(OCCC#N)N(C(C)C)C(C)C 219026856 WEJZAWTVOQPXEP-UHFFFAOYSA-N 344.392 2.945 30 50 EFEA N#Cc1cccc(CNC(=O)N2CCO[C@@H](c3ccsc3)C2)c1 160150066 ULSIJDOCAYJGNR-MRXNPFEDSA-N 327.409 2.903 30 50 EFEA N#Cc1c(NCc2ccccc2CN2CCOCC2)nc2ccccn12 263970671 MAROLDLXEVQVCI-UHFFFAOYSA-N 347.422 2.650 30 50 EFEA C=CC[C@@]1(C(=O)O)CCCN(c2ccc(C(=O)N3CCCC3)cn2)C1 91657108 ANHNDWVJWHHBRY-LJQANCHMSA-N 343.427 2.565 30 50 EFEA N/C(Cc1ccc(Cl)cc1)=N\OC(=O)Cc1ccc([N+](=O)[O-])cc1 18276255 TUGOZMRZIJMWAB-UHFFFAOYSA-N 347.758 2.849 30 50 EFEA CN1CC[C@H](CN=c2cc(C#N)nc[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 408514528 LXHRSJNYKADWIG-PXAZEXFGSA-N 345.809 2.668 30 50 EFEA Cc1ccc(F)c(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 452008024 OMZJCKYEEDQSHJ-MRXNPFEDSA-N 339.370 2.623 30 50 EFEA COc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)c(OC)c1 22608031 PHGUCKHXFCGNES-BTDLBPIBSA-N 340.383 2.563 30 50 EFEA N#Cc1cnn2c(=O)nc(S[C@H]3CCc4cc(Cl)ccc43)[nH]c12 2325873717 QUKMGNQHNDQEBI-LBPRGKRZSA-N 343.799 2.722 30 50 EFEA CCNc1sc(C(=O)c2ccc(OC)c(OC)c2)c(N)c1C#N 59606787 IPAKFDQUTPYJQU-UHFFFAOYSA-N 331.397 2.882 30 50 EFEA C#Cc1ccc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)cc1 23358381 KAYYHVNTSLLGCQ-NRFANRHFSA-N 326.484 2.869 30 50 EFEA COc1ccc(C=NN2CCN(Cc3ccccc3)CC2)c(OC)c1 240662414 PKUJGZBFJHGVPO-UHFFFAOYSA-N 339.439 2.856 30 50 EFEA O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCc2[nH]ncc2C1 270187082 ZZCFOCVJGOGKQI-ZDUSSCGKSA-N 347.340 2.701 30 50 EFEA N/C(=N\OC(=O)CCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 18251049 UPQGHVSTBVSHIA-UHFFFAOYSA-N 343.339 2.618 30 50 EFEA N#Cc1cnc(N2CCOc3ccc(Br)cc3C2)cn1 225778629 FRDOJVKJCVJCJD-UHFFFAOYSA-N 331.173 2.510 30 50 EFEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccncc1Br 331241900 PDYOQKDPJBCWJY-GXFFZTMASA-N 325.206 2.555 30 50 EFEA N#Cc1ccc(CC(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)cc1 348242723 KWHWZNFGBIFLMY-MAUKXSAKSA-N 342.345 2.713 30 50 EFEA N#C[C@@H]1COCCN1C(=O)CCSc1nc2ccccc2s1 176648747 HBMYYTNUIZKWQI-LLVKDONJSA-N 333.438 2.529 30 50 EFEA C=CCN(C(=O)c1cnnn1-c1ccccc1Br)C1CC1 904170047 RSVJOJRELXUJJV-UHFFFAOYSA-N 347.216 2.820 30 50 EFEA N#C[C@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc23)CCN1C1CC1 371621269 GIYCZHNHXJUFBY-INIZCTEOSA-N 346.434 2.925 30 50 EFEA N#Cc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2=O)cc1 82134708 IDTSGSYVMSPKFO-UHFFFAOYSA-N 339.782 2.701 30 50 EFEA C=CCN1C(=O)/C(=C\c2cc(Br)ccc2O)N=C1S 20160839 HUAPVNUDYRHDFB-JXMROGBWSA-N 339.214 2.810 30 50 EFEA CNC(=O)C[C@H](C)N(C)C(=O)c1ccc(-c2cccc(C#N)c2)cc1 426389499 SQJVXKWIKLAHTO-AWEZNQCLSA-N 335.407 2.822 30 50 EFEA C=CCc1cc(C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)ccc1OC 91665255 KPZHVOVTLHGVPY-FQEVSTJZSA-N 342.439 2.508 30 50 EFEA C=CCN1C[C@@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)CC1=O 952961198 WCHPRFFPTLSFSR-AWEZNQCLSA-N 332.831 2.866 30 50 EFEA CCCCOc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)OC)c1 169905069 YVQOJFRMGGKLDD-UHFFFAOYSA-N 334.221 2.951 30 50 EFEA in-vitro C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C(=O)Nc1ccc(F)cc1C#N 189870321 KXRDVDFUARMCRL-HSMVNMDESA-N 329.375 2.815 30 50 EFEA C=CCOc1ccc(OCCN2CCC[C@H](C(=O)OCC)C2)cc1 6703405 MSSFEPLNHFISNR-INIZCTEOSA-N 333.428 2.905 30 50 EFEA COCc1cc(C)nc(SCC(=O)Nc2nc(C)cs2)c1C#N 8915116 XDCSJWYJAADCMS-UHFFFAOYSA-N 348.453 2.904 30 50 EFEA CCCNc1cc(OC)c(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] 170003407 LSJZSAORPSBHMJ-UHFFFAOYSA-N 336.197 2.725 30 50 EFEA CCn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)c1cccc2nc[nH]c12 328629526 OXGWBNFGXLIFJP-ZFWWWQNUSA-N 325.372 2.614 30 50 EFEA N#Cc1c(N)nc2c(c1-c1cnc(C3CCCCC3)nc1)CNCC2 72134277 LKWSXHOGPRZKNZ-UHFFFAOYSA-N 334.427 2.686 30 50 EFEA CO[C@@H]1[C@@H](C)[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1(C)C 170591827 JMBCIDVLICXACS-QCZZGDTMSA-N 342.848 2.549 30 50 EFEA C[C@@H]1CN(C(=O)CSCC#N)c2cc(Br)ccc2O1 195274926 ZCLNACVNFBCCDG-SECBINFHSA-N 341.230 2.820 30 50 EFEA CCOc1cccc(/C=N/n2c(S)nnc2-c2cccnc2)c1O 1249189 WNXLSSYNNIYAKT-VCHYOVAHSA-N 341.396 2.615 30 50 EFEA C#CCCC1(CCC(=O)N[C@H](C)Cc2cc(OC)ccc2O)N=N1 2325892818 HNMIWRFDSRMOCI-CYBMUJFWSA-N 329.400 2.804 30 50 EFEA C=CCOn1c(=O)c(-c2ccc(Cl)cc2)[n+]([O-])c2ccccc21 1781939 VQWUXIOTYKDLJT-UHFFFAOYSA-N 328.755 2.570 30 50 EFEA CC(C)OC(=O)c1cn(CCC#N)nc1-c1ccc2c(c1)OCCO2 4516909 IKLNUYKOHSRUQQ-UHFFFAOYSA-N 341.367 2.800 30 50 EFEA C=CCn1c(CC2CCCCC2)nnc1N1CCO[C@@]2(CCOC2)C1 253398241 QUVWRTXIEJNCHJ-IBGZPJMESA-N 346.475 2.583 30 50 EFEA Cc1ccc(CC/C(O)=N/[C@H]2CCCN(c3nccnc3O)C2)o1 328623885 CBVXICKXTSIPOU-ZDUSSCGKSA-N 330.388 2.642 30 50 EFEA Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccncc3F)C2)n1 122869008 JUNCOXRCBNXMFS-CQSZACIVSA-N 339.374 2.651 30 50 EFEA Cc1cc(C#N)nc(N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)n1 284952295 JUMNRPTWMZPSMI-DOMZBBRYSA-N 348.328 2.988 30 50 EFEA N#Cc1c(C(=O)Nc2cnc3c(c2)C[C@H](N)CC3)[nH]c2ccccc12 1875337392 TYIGJMLRORBUJU-GFCCVEGCSA-N 331.379 2.503 30 50 EFEA CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1 381141 DOZZDPBOVVTKQI-UKRRQHHQSA-N 335.787 2.803 30 50 EFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)cc1 289836 KJGIPYPNUBCCTL-OAHLLOKOSA-N 343.379 2.550 30 50 EFEA N#Cc1cc([N+](=O)[O-])cnc1Oc1ccc(C(=O)N2CCCC2)cc1 341938050 XZEZZULJVJDNIG-UHFFFAOYSA-N 338.323 2.890 30 50 EFEA C=CC[C@]1(C(=O)O)CCCN(c2ncccc2C(=O)N2CCCC2)C1 91693624 SSRADXXYRXJPDE-IBGZPJMESA-N 343.427 2.565 30 50 EFEA Cc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(Oc3ccccc3)cc2)n1 17824505 KJFCEDOEAVKEPY-UHFFFAOYSA-N 335.367 2.929 30 50 EFEA Cc1ccc(C2=NO[C@H](CNC(=O)NCc3ccc(C#N)cc3)C2)cc1 225745004 AIBAJTSXDBNFRW-SFHVURJKSA-N 348.406 2.859 30 50 EFEA CSc1nsc(N=C(O)N2CC[C@H](C3CCOCC3)C2)n1 328586497 NQWWUOGBDIYGME-JTQLQIEISA-N 328.463 2.554 30 50 EFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccs1 2981152 GYCMMZCDLHTCSH-KRWDZBQOSA-N 347.436 2.906 30 50 EFEA COc1ccc(CCNC=C2C(=O)CC(C)(C)CC2=O)cc1OC 100319831 ADMMTEXAAXNDOL-UHFFFAOYSA-N 331.412 2.678 30 50 EFEA biogenic CC(C)(O)C#Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2)o1 65508254 MUHIHLVQFXZZSS-UHFFFAOYSA-N 349.390 2.518 30 50 EFEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)N3CCC[C@@H](C)C3)o2)cc1 826802923 NRBFZYWQFTVKEZ-CYBMUJFWSA-N 345.424 2.942 30 50 EFEA C=CCN1C[C@H](C)N(C(=O)CCn2cnc3ccccc32)C[C@@H]1C 1615751379 QJDNPDHSXVYQSL-HOTGVXAUSA-N 326.444 2.534 30 50 EFEA Cc1ccc(C[C@H]2S/C(=N\N=C\c3ccccc3O)NC2=O)cc1 4284093 SGXSBAAMNOMVAN-YDDPGSGASA-N 339.420 2.865 30 50 EFEA COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2nccs2)cc1 444210 XGXKWSYTEPZKBY-CYBMUJFWSA-N 330.365 2.641 30 50 EFEA N#CCN1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC1 331790152 JQXUXUBIUFAQGE-UHFFFAOYSA-N 334.832 2.678 30 50 EFEA CCn1ncnc1[C@H](NC(=O)Nc1cc(F)c(C#N)cc1F)C1CC1 95521634 FDCMOCIJXUXREL-CQSZACIVSA-N 346.341 2.721 30 50 EFEA Cc1cc(CN=C2N[C@H](C)[C@H]([C@H](O)c3ccccc3)N2)cc(C)c1O 1875349387 VLUZVXFMGJBPKJ-LSBZLQRGSA-N 339.439 2.549 30 50 EFEA Cc1nnc(CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)n1C1CC1 170604247 LRCWOXXPGCEVCA-UHFFFAOYSA-N 349.354 2.862 30 50 EFEA N#C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 13584669 SPXFAUXQZWJGCJ-ROUUACIJSA-N 339.439 2.515 30 50 EFEA in-vitro C[C@](O)(CCc1ccccc1)C(=O)NCc1cc(C#N)ccc1F 252507946 WXWILFCFGHGWNM-IBGZPJMESA-N 326.371 2.697 30 50 EFEA C[C@@H]1CC[C@@H](C2CCC2)CN1Cc1cc(O)n2ncc(C#N)c2n1 2325778617 GNRLHTKHRIHFHM-TZMCWYRMSA-N 325.416 2.707 30 50 EFEA C#CCCC1(CCNC(=O)c2ncsc2-c2ccccn2)N=N1 2325891464 IFTWSVAXWHJJAK-UHFFFAOYSA-N 325.397 2.901 30 50 EFEA CCOc1cc(C#N)ccc1OCC(=O)N1CCc2ccccc2C1 4840342 PPPZVYDUHOOLBB-UHFFFAOYSA-N 336.391 2.921 30 50 EFEA CC/N=C1/S[C@@H](CC(=O)Nc2ccccc2OCC)C(=O)N1CC 100481374 QBAZDZVNJBIYCS-YWMAMYRUSA-N 349.456 2.754 30 50 EFEA Cc1cccc2c1[nH]c1nc(N/N=C\c3ccc(O)cc3O)nnc12 55436633 XXNXEADEOBPZIE-LSCVHKIXSA-N 334.339 2.672 30 50 EFEA C#C[C@@H](NC(=O)N1CCC[C@H]1c1nc(C(=O)OC)c(C)s1)C(C)C 253426381 UDEMOBUQBQMXOQ-OLZOCXBDSA-N 349.456 2.742 30 50 EFEA CC(C)n1cc([C@@H]2CN(c3ncc(C#N)cc3Cl)C[C@H]2CO)cn1 375240780 PQNDVNMTJFRXQX-GJZGRUSLSA-N 345.834 2.596 30 50 EFEA N#Cc1cccc(N2CCC(Oc3ccccc3F)(C(=O)O)CC2)n1 72428017 WLUWEHNVBPWPRA-UHFFFAOYSA-N 341.342 2.595 30 50 EFEA C[C@@H](CNc1oc(/C=C/c2ccccc2)nc1C#N)N1CCOCC1 826802931 PJCYJVHRXIESGC-KIUWMYQTSA-N 338.411 2.849 30 50 EFEA C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Cc1cnn(-c2ccccc2)n1 1461081917 VHGUZAFOZCVSKQ-HNNXBMFYSA-N 345.406 2.901 30 50 EFEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)Cc2ccsc2)cc1 1565513375 UIHFBOOSGPXZCM-IRXDYDNUSA-N 342.420 2.515 30 50 EFEA COC(=O)C(CC#CCN1CCCCC1)CC#CCN1CCCCC1 5526119 JDUJBVOEZDUVJI-UHFFFAOYSA-N 344.499 2.534 30 50 EFEA C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 347992342 OYMXCQAJUPPSEM-XJKSGUPXSA-N 343.390 2.994 30 50 EFEA COc1ccc([C@H](O)[C@@H]2CCCN2/C(O)=N/CC(F)(F)F)cc1 328588319 NTHGHFGEQWEAFC-STQMWFEESA-N 332.322 2.669 30 50 EFEA COc1ccc(CC/N=C(/N)N2CCCCC2)cc1OC(F)F 241171119 KEJFOBOSQWCNLO-UHFFFAOYSA-N 327.375 2.640 30 50 EFEA COc1cccc(C=Nn2c(S)nnc2-c2ccccc2)c1O 239121271 JPPLAWRMOSLQFA-UHFFFAOYSA-N 326.381 2.830 30 50 EFEA CN(C(=O)c1c(F)cc(C#N)cc1F)[C@H]1CCO[C@@H]1c1cccnc1 299740902 CCDKTVVNEPZBFF-DOTOQJQBSA-N 343.333 2.834 30 50 EFEA Cn1ccnc1CC1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 302203465 ITYKIOBLEXMIJP-UHFFFAOYSA-N 325.372 2.659 30 50 EFEA C=CCN1CC2(CCC1=O)CCN(CCOc1ccccc1)CC2 91452746 ORPAEMODSODYEU-UHFFFAOYSA-N 328.456 2.956 30 50 EFEA C(=N/Nc1ncnc2c1cnn2Cc1ccccc1)\c1cccnc1 5683635 IYYVYKOERSXQCA-LSHDLFTRSA-N 329.367 2.716 30 50 EFEA C#CCCC1(CCC(=O)NC[C@@H]2CCc3cc(F)ccc3O2)N=N1 2325886300 GUVFXSWZKSQBGC-HNNXBMFYSA-N 329.375 2.991 30 50 EFEA O=[S@]1CC[C@H](N/C(O)=N/CC2(Cc3ccccc3)CCCC2)C1 329246210 AOHWOBVFBKYMAH-HJPURHCSSA-N 334.485 2.814 30 50 EFEA C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)C[C@]1(C)[C@H](O)CCC(=C)[C@@H]21 256414175 FDDKULNHLFGRDK-HANQWMIRSA-N 346.423 2.699 30 50 EFEA biogenic N#Cc1cc(Cl)ccc1CN1CCC(CN2CCOCC2)CC1 186680627 CWWSXYNLLWZNPP-UHFFFAOYSA-N 333.863 2.756 30 50 EFEA COC[C@@H](NC(=O)Nc1ccn(CCC#N)n1)c1ccc(Cl)cc1 193569665 NBLWGGKPHYIVKB-CQSZACIVSA-N 347.806 2.959 30 50 EFEA C=CCn1nc(C(=O)OCC)c2c1CCN(Cc1ccccc1)C2 14532788 BQNFFOZMHNINCJ-UHFFFAOYSA-N 325.412 2.804 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 100102087 GEDBZJDRNZKIPJ-QGZVFWFLSA-N 341.363 2.556 30 50 EFEA N/C(=N\OC(=O)Cc1cccs1)c1ccc(Br)cc1 4916301 FXXUEJJFVWYPJD-UHFFFAOYSA-N 339.214 2.917 30 50 EFEA COC(=O)C[C@]1(O)C(=O)C=C(c2ccc(C)cc2)N1c1ccccc1 6660507 DZADKUKCLAXCMI-FQEVSTJZSA-N 337.375 2.677 30 50 EFEA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccccc1Oc1ccccc1C#N 281688760 DPNQZMLMGBJCKM-CJNGLKHVSA-N 349.390 2.747 30 50 EFEA Cc1ncc(N=C(O)N2CCC[C@@H]2c2cnn(C)c2)c(C2CC2)n1 328588001 LKHGMZQHBTVHEB-OAHLLOKOSA-N 326.404 2.779 30 50 EFEA COc1cccc([C@@H]2C[C@@H](O)CN2CCOc2ccc(C#N)cc2)c1 282333584 UWINNGHRTKQAPO-XLIONFOSSA-N 338.407 2.754 30 50 EFEA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2/N=C(/O)[C@H]2CCCS2)nn1 328606472 RQEWKKZVAITCQX-YNEHKIRRSA-N 338.477 2.841 30 50 EFEA CN1CCC[C@@H]1CCNC(=O)c1cccc(-c2cccc(C#N)n2)c1 426392745 IARTVZLFXWCBCV-GOSISDBHSA-N 334.423 2.834 30 50 EFEA N#Cc1ccc(C(F)(F)F)nc1NC[C@H](C(=O)O)C1CCOCC1 863732715 BGJZKUYGRLPCNO-NSHDSACASA-N 343.305 2.511 30 50 EFEA C#CCCC1(CCC(=O)Nc2cc([C@@H]3CCCOC3)nn2C)N=N1 952879753 AOWLEZOQQRKVLU-CYBMUJFWSA-N 329.404 2.608 30 50 EFEA Cc1cc(C)cc(OCC(=O)N2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 278527860 DPXYXWVRFDZRAO-MSOLQXFVSA-N 341.455 2.519 30 50 EFEA Cc1ccc(-c2cc(C(=O)[C@@H](C#N)C(=O)c3nccn3C)[nH]n2)cc1C 170602527 CWKGXYLCXMWQKW-CQSZACIVSA-N 347.378 2.632 30 50 EFEA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Nc1cccc(C#N)c1C)CC2 187616410 MSGKOPSACYBLHF-DLBZAZTESA-N 343.427 2.651 30 50 EFEA C=CCN1C[C@@H](C)N(C(=O)CC(=O)Nc2cccc(C)c2C)C[C@H]1C 1506398932 IABIDVRBXDQZHA-HZPDHXFCSA-N 343.471 2.739 30 50 EFEA COc1ccc(OC)c(/C=N/N2CCN(Cc3ccccc3)CC2)c1 19771321 DZLGTZHPWWBYFB-RCCKNPSSSA-N 339.439 2.856 30 50 EFEA CSCC/N=C(/O)N[C@H](c1nc(C(C)C)no1)C1CCOCC1 328621492 HTDVATFAYMPALI-LBPRGKRZSA-N 342.465 2.527 30 50 EFEA CN1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3F)cc2)CC1 4865949 LLEITKBCHFBPHN-UHFFFAOYSA-N 338.386 2.701 30 50 EFEA CCn1nc(C)c(-c2cc(-c3cc(C#N)n(C)c3)c(C#N)c(N)n2)c1C 71479478 JXPBEAKQNGXULM-UHFFFAOYSA-N 345.410 2.913 30 50 EFEA COc1cc(C(=O)N[C@H](C#N)C2CCCCC2)cc2c1OCCO2 176580871 GNZJUBCEJMJEQL-CQSZACIVSA-N 330.384 2.669 30 50 EFEA CC(=O)[C@@H]1C[C@H](O)[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C 257357024 LQEJOAGSAHRUCT-BULBTXNYSA-N 344.451 2.873 30 50 EFEA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)C2(C#N)CCCC2)CC1 276096946 WCMMYDCWMMVRKG-GOSISDBHSA-N 340.471 2.978 30 50 EFEA N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@@H](C(=O)O)C2)cc1 263245454 OGLYNXSMVWVWGN-QGZVFWFLSA-N 349.390 2.841 30 50 EFEA C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 10313912 SYBKOMAFBLQSLU-UHFFFAOYSA-N 330.409 2.712 30 50 EFEA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(C#N)nc1 115010179 VMGXSMMUWGGGSQ-UHFFFAOYSA-N 331.379 2.686 30 50 EFEA O=c1c2ccccc2ccn1C/C(O)=N/[C@@H]1Cc2ccccc2[C@H]1O 328588094 SVAKJUBBANSCGG-IEBWSBKVSA-N 334.375 2.616 30 50 EFEA C=CC[C@H](CC)NC(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 281952381 MHBBNAWFFIPDOQ-ZDUSSCGKSA-N 349.406 2.774 30 50 EFEA Cn1cc([C@H]2OCCC[C@@H]2/N=C(/O)c2cccc(C(=N)O)c2)cn1 328637993 WFTUUDSGTYBRRX-LSDHHAIUSA-N 328.372 2.528 30 50 EFEA CC(C)C[C@@H]1COCCN1C(O)=Nc1cn(C)nc1C(F)(F)F 330880012 MPLFNWDKKKLLJT-SNVBAGLBSA-N 334.342 2.731 30 50 EFEA COc1ccc(-n2cccc2-c2c(C#N)c(N)nc3c2CNCC3)cc1 72174155 KBEPJHJCWSBVAO-UHFFFAOYSA-N 345.406 2.647 30 50 EFEA N#Cc1ccc(C2=CCN(C(=O)[C@@H](O)Cc3ccccc3)CC2)cc1 369147374 IWKOJYPFZPVGRM-FQEVSTJZSA-N 332.403 2.778 30 50 EFEA Cc1ccccc1/C(O)=N/C1CCN(C(=O)c2cccc(O)n2)CC1 329885267 UITGQSGVFYKBJT-UHFFFAOYSA-N 339.395 2.705 30 50 EFEA N#CCc1cccc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 180150274 XCFHXBBHKXHZNC-QAPCUYQASA-N 342.345 2.979 30 50 EFEA C=C[C@@H](CC(=O)N1CCC[C@@]2(CC(C(=O)O)=NO2)C1)c1ccccc1 1775993601 SERPAMAKSZWUIS-IFXJQAMLSA-N 342.395 2.568 30 50 EFEA Cc1cc(C#N)ccc1C(=O)N1CCOC[C@H]1c1nnc(C(C)C)o1 275373061 OCOQZRJBDYSCCK-HNNXBMFYSA-N 340.383 2.587 30 50 EFEA C=CCOc1ccc(Cl)cc1CN1C[C@@H]2COCC[C@]2(CO)C1 1772707553 UZGSMTRCPPFPBY-CRAIPNDOSA-N 337.847 2.736 30 50 EFEA Cc1cc(N2CCC[C@@H](/N=C(/O)N3CC[C@H]4CCCC[C@H]43)C2)n(C)n1 328587345 FZIUXZKNPBLLGQ-BRWVUGGUSA-N 345.491 2.876 30 50 EFEA Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C#N)c3)n2)cc1 6767434 ZFTYUMXJMBASQZ-UHFFFAOYSA-N 344.374 2.729 30 50 EFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(O)c1 100506273 BADMFIGZWYVFLU-QGZVFWFLSA-N 327.380 2.923 30 50 EFEA N#Cc1cc(C(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)c[nH]1 225552259 KSEFNFPAVQEJRH-UHFFFAOYSA-N 344.418 2.998 30 50 EFEA Cc1cc(C)c(C#N)c(N[C@@H]2CCCN(C3CCN(C)CC3)C2)n1 72429598 MPRVFJDVMJHDBI-MRXNPFEDSA-N 327.476 2.541 30 50 EFEA N#Cc1cccc(NC(=O)N2CCCC[C@@H]2CCN2CCCC2=O)c1 72152961 UXBBQGKQZQXSSF-QGZVFWFLSA-N 340.427 2.957 30 50 EFEA C=C(C)CN(C)C(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC=O 241837519 SKTVZCNBLNIKQV-AWEZNQCLSA-N 329.227 2.685 30 50 EFEA C[C@H](C#N)CN(C[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1 341908723 KFQSLWRNEUYHMF-YLJYHZDGSA-N 327.472 2.902 30 50 EFEA C=CCOc1cccc(C(=O)N2CCN(Cc3ccccn3)CC2)c1 820494627 ZWKGOJXSGCNTLI-UHFFFAOYSA-N 337.423 2.604 30 50 EFEA C[C@H]1OCCC[C@@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 277329259 VGEZLPZJGKWLOI-KDOFPFPSSA-N 328.412 2.743 30 50 EFEA N#CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 110710628 CXVYSMMJYPDHQA-ZIAGYGMSSA-N 343.324 2.576 30 50 EFEA Cc1cccc(C[C@@H]2S/C(=N\N=C\c3ccc(O)cc3)NC2=O)c1 4159976 QFLKASKIAZKZEY-ZVCOJXFSSA-N 339.420 2.865 30 50 EFEA C=C1CC[C@@H]2[C@](C)(CO)[C@@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O 136674950 XMJAJFVLHDIEHF-HGFJTWFSSA-N 332.440 2.768 30 50 EFEA Cc1c(C(=O)Nc2ccc(C#N)c(C#N)c2)cnn1-c1ccccn1 150800709 BOOFAHHKCVWXLA-UHFFFAOYSA-N 328.335 2.571 30 50 EFEA Cc1ccc(-c2nc(N)c(C#N)c(-c3cn(CCO)nc3C)c2C)cc1 67982031 LZNLXQVWZVMBID-UHFFFAOYSA-N 347.422 2.984 30 50 EFEA COC[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CC(C)(C)O1 285148242 SYILMWTYSCIRHV-LLVKDONJSA-N 329.322 2.602 30 50 EFEA C#CCCC1(CCNC(=O)[C@@H]2[C@H]3C[C@@]2(c2ccccc2C)CO3)N=N1 1875381765 HHWHSAVFEWRJJK-AOIWGVFYSA-N 337.423 2.733 30 50 EFEA C/C=C(\C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@@]12C 4098154 KUPPZVXLWANEJJ-YFVRYKHXSA-N 346.423 2.843 30 50 EFEA biogenic,in-vitro O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\Nc1cccc2cccnc12 4751109 UCUNEPYJSNGJMM-UHFFFAOYSA-N 333.307 2.911 30 50 EFEA c1ccc(CO[C@@H]2O[C@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H]3O[C@@H]32)cc1 6339558 AOZVSPOPQDFUMI-DWIKVQACSA-N 340.375 2.810 30 50 EFEA Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(CC#N)cc1 10328063 VUDNZOUONLHKHW-UHFFFAOYSA-N 343.408 2.685 30 50 EFEA N#Cc1ccnc(N2CCCn3nc([C@H](O)c4ccccc4)cc3C2)c1 217137112 NTSJVEPIWLVKIS-HXUWFJFHSA-N 345.406 2.642 30 50 EFEA COc1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)ccc1F 177698583 PRHUIMJPKYLFAK-LBPRGKRZSA-N 328.347 2.642 30 50 EFEA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]12C 257356763 KDHBHXVDYRGRDL-PIUNGXHFSA-N 346.467 2.665 30 50 EFEA C=CCN1C[C@H](N[C@H](C)c2ccc(OC)c(OC)c2C)CCC1=O 1875279627 ZPHWIKNMVXZPSA-HUUCEWRRSA-N 332.444 2.840 30 50 EFEA N#CCC1(CN2C(=O)CCc3cc(NC(=O)c4cc[nH]n4)ccc32)CC1 408514374 VQLGTXQTPITVQA-UHFFFAOYSA-N 349.394 2.635 30 50 EFEA Cc1ccc(CS(=O)(=O)NCc2ccc(C#N)cc2F)c(F)c1 192610052 UYVMSTDRYRIRLW-UHFFFAOYSA-N 336.363 2.765 30 50 EFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cnn(CC)c1C 5728163 ISDTWAKQYQPYBS-QGZVFWFLSA-N 343.427 2.742 30 50 EFEA C=CCc1c(C)nc(SCC(=O)Nc2ccc(OC)cc2)[nH]c1=O 18254407 UZXVTOFMTXZXPB-UHFFFAOYSA-N 345.424 2.546 30 50 EFEA CCn1c([C@@H](C)NCC(=O)NC2(C#N)CCCC2)nc2ccccc21 119289494 XLCFPTXOCAIGLC-CQSZACIVSA-N 339.443 2.659 30 50 EFEA Cc1csc(CCCNC(=O)c2cccc(C#CC(C)(C)O)c2)n1 1506420028 QVVVXEFCPPZABA-UHFFFAOYSA-N 342.464 2.937 30 50 EFEA Cc1ccc2[nH]c3nc(N/N=C/c4ccc5c(c4)OCO5)nnc3c2c1 4990091 WJSPHPUXEOOSRY-UFWORHAWSA-N 346.350 2.989 30 50 EFEA N#CCOc1ccccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 282196097 SOHARYIOLPKBAV-UAGQMJEPSA-N 328.412 2.745 30 50 EFEA Cc1ncsc1/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1nccs1 328650164 VIRPPHOZCWCEGV-QWRGUYRKSA-N 340.449 2.825 30 50 EFEA COc1ccc(OC2CCN(C(=O)c3ccc(C#N)nc3)CC2)cc1 77321164 QWESUFQXNGMNNH-UHFFFAOYSA-N 337.379 2.645 30 50 EFEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2ccc(Cl)cc2C#N)C1 328610526 IFGPZMUTAXLFAD-MRXNPFEDSA-N 345.790 2.985 30 50 EFEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)[C@@H]2CC23CCOCC3)cn1 328618352 DQVAWKFWMKNUTC-HRCADAONSA-N 333.432 2.896 30 50 EFEA C[C@@]1(Cc2ccccc2)CCCN1S(=O)(=O)c1cccnc1C#N 240333712 FEXOZFIIJKMQRN-SFHVURJKSA-N 341.436 2.739 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2CCO[C@@H](c3ccncc3)C2)N=N1 952882157 RVPKKWNUTSVOQD-JKSUJKDBSA-N 326.400 2.774 30 50 EFEA Cc1nccn1CC[C@@H]1CCCCN1Cc1ccc(C#CCO)cc1 1506417964 CYSLAKASFWVSMK-NRFANRHFSA-N 337.467 2.980 30 50 EFEA Cc1nc(N=C(O)c2cnn(C(C)(C)C)c2C(F)(F)F)nn1C 330660205 BDYLSFRAIBCIBR-UHFFFAOYSA-N 330.314 2.730 30 50 EFEA CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/N=C(N)N)cc2)cc1 4673521 PPNVBEPWLZAGPX-WSDLNYQXSA-N 338.411 2.811 30 50 EFEA N#CCNC(=O)CNc1ccc(C(F)(F)F)c(Br)c1 225534650 IBYRHHPOVPBDNG-UHFFFAOYSA-N 336.111 2.520 30 50 EFEA Cc1cc([C@H]2CCCN2C(=O)c2ccc(C#CC(C)(C)O)o2)on1 1506405603 AOSYSWUNNYSZND-CQSZACIVSA-N 328.368 2.676 30 50 EFEA COc1ccc([C@@H]2CCN(CC(=O)N[C@](C)(C#N)C(C)C)C2)cc1 249899965 SRGIMKGXHXRHKF-VQIMIIECSA-N 329.444 2.539 30 50 EFEA CN1C(=O)CC[C@@H]1/C(O)=N/[C@@]1(Cc2ccc(Cl)cc2)CCOC1 328718588 PXPPFODCQZTTCK-RHSMWYFYSA-N 336.819 2.619 30 50 EFEA CC(C)n1cnnc1CN(C)Cc1ccc(C#CC(C)(C)O)s1 823719856 RTGKIIBLPOQYBG-UHFFFAOYSA-N 332.473 2.675 30 50 EFEA N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](Oc2ccccc2F)C1 1875332475 UEJLENUDLJDDCQ-CQSZACIVSA-N 346.383 2.539 30 50 EFEA C=CCN(CC=C)C(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 12863735 WCJQZGARAWHLEE-UHFFFAOYSA-N 330.403 2.879 30 50 EFEA CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(C)CC1 135301 CTJWNPCXOUMMOL-UHFFFAOYSA-N 333.439 2.982 30 50 EFEA CN1C(=C2C(=N)N(Cc3ccccc3)CC2=O)N(C)c2ccccc21 119254781 WQPDOOWOZZHBDR-UHFFFAOYSA-N 332.407 2.846 30 50 EFEA OC1=NC[C@H](C/N=C(/O)CCc2ccc(OC(F)(F)F)cc2)O1 328589526 BPJKVUMPBXQLML-NSHDSACASA-N 332.278 2.787 30 50 EFEA Cc1ccc(N=C(O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cn1 328618311 DOIALTFDAFGOSK-WMZOPIPTSA-N 339.443 2.955 30 50 EFEA Cc1ccc(OC/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)cc1 328630747 JRLVCUTTYPIXQJ-UHFFFAOYSA-N 346.427 2.658 30 50 EFEA CO[C@@H]1[C@H]2C[C@@H]3CN(/C(O)=N/C[C@H](C)c4nc(C)cs4)[C@@H]1[C@H]3C2 329249816 AVHGDYZIYXRGNW-BMJAIKTRSA-N 335.473 2.824 30 50 EFEA CC[C@H](CNC(=O)C1(C#N)CCOCC1)Oc1ccccc1Cl 177372191 XTHINFJHYYZUNU-CYBMUJFWSA-N 336.819 2.934 30 50 EFEA CCc1cccc(Oc2ccc(NC(=O)Cn3cnc(C#N)n3)cn2)c1 178418582 HAUCXFIWVOPPPY-UHFFFAOYSA-N 348.366 2.538 30 50 EFEA CC[C@H](Cn1ccnc1)NC(=O)CC1=C(c2ccccc2)CCC1=O 426370367 IVAUGMLCCMFWTL-MRXNPFEDSA-N 337.423 2.985 30 50 EFEA N#C[C@@H]1CCCN(C(=O)NCCCc2nc3ccc(F)cc3[nH]2)C1 534581153 SMAKSHXBUWYLMX-LBPRGKRZSA-N 329.379 2.580 30 50 EFEA Cc1ccc(C(=O)Nc2c(C#N)cnn2-c2nc(C)cc(C)n2)cc1 4992926 VGKYQSJJUFDERC-UHFFFAOYSA-N 332.367 2.712 30 50 EFEA N#Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)c[nH]1 225407093 BKWQOTPVZFWRQA-IUODEOHRSA-N 349.312 2.853 30 50 EFEA C=C(C)C1(n2[nH]c(=O)n(-c3ccccc3)c2=O)[C@H]2C=CC=C[C@H]1C=C2 101052755 ZAHYYYUENKRRPE-HOTGVXAUSA-N 333.391 2.527 30 50 EFEA O/C(=N/Cc1ccoc1)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 328622068 AZNLXPWUYWADKA-KBPBESRZSA-N 337.420 2.957 30 50 EFEA C=CCNC(=S)NCCNc1ncc(C(F)(F)F)cc1Cl 18145362 DXLPZBRTKOZHOY-UHFFFAOYSA-N 338.786 2.816 30 50 EFEA O=C1Oc2ccccc2C(=O)/C1=C\Nc1cccc(-c2nc[nH]n2)c1 828327472 USBPWUGMMQGWBD-NTEUORMPSA-N 332.319 2.569 30 50 EFEA CC(C)(C)NS(=O)(=O)c1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 185801023 GHLHWWIBPYYQOJ-GDBMZVCRSA-N 349.500 2.935 30 50 EFEA COc1ccc(OCC#CCN2CCN(c3ccccc3)CC2)cc1 16285905 RPSNLKJYEINHMZ-UHFFFAOYSA-N 336.435 2.900 30 50 EFEA N#Cc1c(N)n(-c2ccc(C(=O)O)cc2)c2nc3ccccc3nc12 90124 IYEGONGDMXONML-UHFFFAOYSA-N 329.319 2.726 30 50 EFEA C=CCNS(=O)(=O)c1ccc(NC(=O)c2csc(C)c2)cc1 6726734 RCKNZKSBBRIMPP-UHFFFAOYSA-N 336.438 2.773 30 50 EFEA C#C[C@H](NC(=O)c1ccc(F)cc1I)C(C)C 253393710 NPCOMYSQVHFZIE-LBPRGKRZSA-N 345.155 2.818 30 50 EFEA CCO[C@@H](/C(O)=N/C1CC(N(CC)CC(=O)O)C1)c1ccccc1 328641737 QTYBNMQNEPFKRS-VMBOVVBDSA-N 334.416 2.658 30 50 EFEA CN(Cc1cccc(C#N)c1)C(=O)c1cc(C(C)(C)C)n2ncnc2n1 1350010769 UZHURQDNHUMLEL-UHFFFAOYSA-N 348.410 2.566 30 50 EFEA COCc1nc([C@H]2CCCCN2Cc2ccc(F)cc2C#N)n[nH]1 408473729 LIEOHKYARBBCPL-OAHLLOKOSA-N 329.379 2.689 30 50 EFEA Cc1ccc(C2=NO[C@@H](CNC(=O)NCc3ccc(C#N)cc3)C2)cc1 225744977 AIBAJTSXDBNFRW-GOSISDBHSA-N 348.406 2.859 30 50 EFEA CC(C)n1cnc(/C(O)=N/[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1 328586578 HLGMCYCEZCOIOA-UKRRQHHQSA-N 326.400 2.963 30 50 EFEA C#CCCC1(CCC(=O)N2CCN[C@@H](c3ccccc3OC)C2)N=N1 2325892524 QHSIMVNMMWLNMO-MRXNPFEDSA-N 340.427 2.524 30 50 EFEA COc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)cc1OC 22608047 YWXXGGKFIJNBAA-BTDLBPIBSA-N 340.383 2.563 30 50 EFEA C#CCCS(=O)(=O)NC(=O)c1sc2ccccc2c1Cl 253415766 AMFRQBOLOYSRPN-UHFFFAOYSA-N 327.814 2.638 30 50 EFEA Cn1cc(CNC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1C#N 365085379 LFDLFWDJOKUUNI-ZDUSSCGKSA-N 330.382 2.791 30 50 EFEA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1cc(F)cc(C#N)c1 77421725 YFGKGMVJVNEWPL-LJQANCHMSA-N 337.398 2.826 30 50 EFEA N#C[C@@H]1CCCN(C(=O)Nc2cnn(Cc3ccccc3F)c2)C1 426661217 IXPZIKSSUGCLJX-ZDUSSCGKSA-N 327.363 2.838 30 50 EFEA N#Cc1cc2n(n1)CCN(C(=O)C[C@@H](c1ccccc1)c1ccco1)C2 952966057 DUZSJCUOCLHZII-SFHVURJKSA-N 346.390 2.912 30 50 EFEA CCn1cc([C@@H]2OCC[C@H]2CNc2nc3c(cc2C#N)CCC3)cn1 886091771 SNDFQOVAHRZLPX-KBXCAEBGSA-N 337.427 2.848 30 50 EFEA 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EFEA C[C@@H](Oc1cccc(/C=N/Nc2cc(C#N)cc(Cl)n2)c1)C(=O)O 170591349 KFUAUCFCXCMGDC-XTTRTJGBSA-N 344.758 2.905 30 50 EFEA COc1ccc(CCNC(=O)Nc2ccccc2C#N)cc1OC 1431553 KRYPAYMLFXBNNU-UHFFFAOYSA-N 325.368 2.940 30 50 EFEA Cc1cccc(CC/C(O)=N/C2CCN([C@H]3CCN(C)C3=O)CC2)c1 328591728 APXFITVLAVBEBD-SFHVURJKSA-N 343.471 2.579 30 50 EFEA Cc1c(Cl)cnc(N[C@H]2CCO[C@@H]2c2cnn(C)c2C)c1C#N 431386350 OKZZTFURWQJGGL-LSDHHAIUSA-N 331.807 2.899 30 50 EFEA Cc1nc2ccc(N=C(O)[C@H]3CCCN3c3nccs3)cn2n1 329091572 JOOJZKHTJNZBIO-GFCCVEGCSA-N 328.401 2.751 30 50 EFEA CCOC1CC2(CCN(C/C(O)=N/C[C@H]3Cc4ccccc4O3)C2)C1 329157641 DGXZBXDQXSOLTJ-ZRZPHAQCSA-N 344.455 2.838 30 50 EFEA O=S1(=O)CCC[C@@H]1C/N=C(/O)[C@H]1CCSc2ccccc21 330150134 KNZOCKWKICGMSP-YPMHNXCESA-N 325.455 2.800 30 50 EFEA CC1(C)CCN(N/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)CC1 71770122 DNIDQAKPWHMXQZ-UHFFFAOYSA-N 345.852 2.569 30 50 EFEA COc1cccc([C@@H]2C[C@H](O)CN2Cc2cc(C#N)ccc2OC)c1 337407878 NOLRZZGVQYYKDD-HKUYNNGSSA-N 338.407 2.883 30 50 EFEA Cc1cc(S(=O)(=O)N[C@@]2(C#N)CC2(C)C)sc1Br 290926658 JBVPTXMIWSCKAC-LLVKDONJSA-N 349.275 2.790 30 50 EFEA CN(CC1CCOCC1)[C@@H](C(=O)O)c1ccc(C(C)(C)C#N)cc1 95388822 UTIYWGJXWNTMTN-QGZVFWFLSA-N 330.428 2.972 30 50 EFEA N#Cc1cc(CN2CCC(CNC(=O)c3cccs3)CC2)c[nH]1 826756095 RMTCOUNQNJDQQJ-UHFFFAOYSA-N 328.441 2.590 30 50 EFEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(CCC#N)Cc3ccco3)n[nH]c21 1875394113 VYKMBNLSFIZATH-NEPJUHHUSA-N 328.372 2.581 30 50 EFEA COc1ccc(C(=O)/C=C/NCC(=O)c2ccccc2)cc1OC 5044792 DHEHBGMUFCMMMP-ZHACJKMWSA-N 325.364 2.873 30 50 EFEA N#Cc1ccc(OCCNC(=O)N[C@H]2CCCC23CCOCC3)cc1 252491654 LPPDBDRDLQYYIX-KRWDZBQOSA-N 343.427 2.586 30 50 EFEA CC1(C)OB(c2cc(C(F)(F)F)ccc2CC(=O)O)OC1(C)C 170008014 WWUNWYNUXABWEU-UHFFFAOYSA-N 330.111 2.632 30 50 EFEA COc1cccc([C@H]2C[C@H](O)CN2CCOc2ccc(C#N)cc2)c1 282333572 UWINNGHRTKQAPO-FXAWDEMLSA-N 338.407 2.754 30 50 EFEA Cn1cc([C@H](O)C[C@H]2CCCN2Cc2cc(F)ccc2C#N)cn1 374306443 DKDFTYZUCZKJAK-QZTJIDSGSA-N 328.391 2.519 30 50 EFEA N#Cc1ccnc(N2CCC(c3nccn3Cc3ccncc3)CC2)c1 91518950 DLJBNRBRWAGYJR-UHFFFAOYSA-N 344.422 2.977 30 50 EFEA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)OCc1ncc(C#N)cn1 842058100 FLGSBASRJUAAKS-FVQBIDKESA-N 331.416 2.869 30 50 EFEA C=CCS[C@H](C)C(=O)N(CCOC)Cc1c(C)nn(CC)c1C 55271167 MEIAWYGIBMVYRA-OAHLLOKOSA-N 339.505 2.803 30 50 EFEA CCOC(=O)Cc1cnc(N(C)C(=O)c2cccc(CC#N)c2)s1 424064268 YKYFLBMIRYCHCN-UHFFFAOYSA-N 343.408 2.591 30 50 EFEA OCCCC/N=C(/O)Nc1cccc2c1CN(c1nccs1)C2 328588566 SPEUHEAXTKCOGO-UHFFFAOYSA-N 332.429 2.762 30 50 EFEA Cc1noc([C@@H](N/C(O)=N/Cc2ccsc2)C2CCOCC2)n1 328615350 AUKDYRYPKBASNO-ZDUSSCGKSA-N 336.417 2.611 30 50 EFEA Cc1noc(C)c1CN1CCN(c2ccc(Cl)c(C#N)n2)CC1 264550427 XJAYTGISTPNYSW-UHFFFAOYSA-N 331.807 2.534 30 50 EFEA CN(C)C(=O)Nc1cccc(C(=O)OCCC#CBr)c1 888099333 IUVUHIDUIKQBEE-UHFFFAOYSA-N 339.189 2.683 30 50 EFEA CCN(Cc1cc(O)n2ncc(C#N)c2n1)[C@H]1CCc2ccccc21 2325771887 YJAJKXPRILHQIN-KRWDZBQOSA-N 333.395 2.816 30 50 EFEA CCCCCCCCCn1c(SC)nc2c1c(=O)[nH]c(=O)n2C 2239934 RMDGFDKNFBNEFC-UHFFFAOYSA-N 338.477 2.896 30 50 EFEA Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)CCc2ccccc2)n1 6669569 KRKDXNVKBUCSAJ-UHFFFAOYSA-N 346.394 2.722 30 50 EFEA C=CCC[C@H](CN(C)Cc1cccnc1)Oc1ccc(OC)nn1 67755586 WBUPQNZFDXANLO-MRXNPFEDSA-N 328.416 2.726 30 50 EFEA C(=N/Nc1nc(-c2ccncc2)no1)\c1cnn(-c2ccccc2)c1 1875252069 TXBDYVOAEXUVNX-VXLYETTFSA-N 331.339 2.763 30 50 EFEA C/C(=C1/C(=O)C[C@H]2[C@H]1C2(C)C)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 888088587 HHVSHINZGPPWNV-WLJNDBHBSA-N 338.451 2.786 30 50 EFEA Cc1ccc2ncnc(NC3CCN(c4ncccc4C#N)CC3)c2n1 1857699376 SNUVDYLUQMATDW-UHFFFAOYSA-N 345.410 2.681 30 50 EFEA COC(=O)[C@H](CCC(C)C)NC(=O)c1ccc(C2(C#N)CC2)cc1 2325782347 QXLVGBIPBZIUCH-INIZCTEOSA-N 328.412 2.949 30 50 EFEA CN1CCCC(C)(C)[C@@H]1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 225736767 SDVJYUGBFXGZJE-KRWDZBQOSA-N 343.471 2.952 30 50 EFEA CCc1nnc(/N=C(\O)[C@H](C)N2CCN(c3ccccc3)CC2)s1 20018940 UHOQMMXPLWSFBV-ZDUSSCGKSA-N 345.472 2.899 30 50 EFEA CCCn1c(C)nc2cc(C(=O)O)cc(B3OC(C)(C)C(C)(C)O3)c21 170008568 MYPPESNRVGJRDO-UHFFFAOYSA-N 344.220 2.752 30 50 EFEA O=C(CCc1ccccc1)N1CCC(/N=C(/O)C[C@@H]2CCOC2)CC1 329802501 ZDFFQYLLGHAZPV-KRWDZBQOSA-N 344.455 2.993 30 50 EFEA N#C[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)CCN1C1CC1 361201002 LPYWAZXBOODFDY-MRXNPFEDSA-N 338.386 2.633 30 50 EFEA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccccc1Cl 245312501 UZVXTCIYZHORKC-WZBLXURGSA-N 326.783 2.727 30 50 EFEA COCc1nc([C@H]2CN(c3ccc(C#N)cc3F)C[C@@H]2C2CC2)n[nH]1 952850372 LYDVQBWQNBSQGK-KGLIPLIRSA-N 341.390 2.592 30 50 EFEA Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2cccc(F)c2C#N)cn1 794453234 KTGMZRBOMVNQFL-YJBOKZPZSA-N 328.391 2.519 30 50 EFEA O=C1CS/C(=N/N=C/c2ccc(OCc3ccccc3)cc2)N1 8381267 GZRIHUABPOYAHW-VCHYOVAHSA-N 325.393 2.819 30 50 EFEA N#Cc1cnc(N2CCNC(=O)[C@@H]2CC2CCCCC2)c(Cl)c1 333887442 WFGRPOWLQDKTJW-HNNXBMFYSA-N 332.835 2.882 30 50 EFEA C=CC[C@H](CC)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 252492467 MNBWLVIEFOTGLF-INMHGKMJSA-N 346.475 2.849 30 50 EFEA CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC 2208282 HJGOQIXNUVZWLA-UHFFFAOYSA-N 338.477 2.896 30 50 EFEA C=CC[C@@]1(C(=O)O)CCCN(Cc2cc3c(cc2OC)OCO3)C1 91819237 YYOSWCRECCJVBS-GOSISDBHSA-N 333.384 2.667 30 50 EFEA C[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CC(=O)N1 296211817 NISVOHUKMUKLHV-QGZVFWFLSA-N 333.435 2.707 30 50 EFEA Cc1cc(CNC[C@H]2CC[C@@H](c3n[nH]c(C4CC4)n3)O2)ccc1C#N 1775959209 LWFGFDXMDXYXSF-SJORKVTESA-N 337.427 2.872 30 50 EFEA C=CCOc1ccc(C(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)cc1OC 408520253 YAFUDCSNCLSFBX-JKSUJKDBSA-N 343.423 2.901 30 50 EFEA N/C(=N\OC(=O)c1cccs1)c1cccc(Br)c1 13519018 LNIHPYMKYOLFIN-UHFFFAOYSA-N 325.187 2.988 30 50 EFEA C=CC[C@H](CC)NC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C 253427476 UGRQCDSDRAQSHR-XYJFISCASA-N 330.476 2.946 30 50 EFEA CC(C)c1cc(NCCOCCO)n2c(nc3ccccc32)c1C#N 4114967 CTWZSENMLFAYHW-UHFFFAOYSA-N 338.411 2.903 30 50 EFEA C=CC[C@@H](CC)NC(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 253431492 QXDBWWJQALSKTN-LLVKDONJSA-N 341.433 2.543 30 50 EFEA Cc1cnc(C/N=C(/O)[C@H]2CCCN2C(=O)Cc2cccs2)o1 328595652 ZVELELDZEYNTTC-CYBMUJFWSA-N 333.413 2.735 30 50 EFEA N#Cc1ccc(NC(=O)N2CCCC[C@@H]2CCN2CCOCC2)cc1 72149669 QONMBVHMLLZUKD-GOSISDBHSA-N 342.443 2.667 30 50 EFEA CN(Cc1ccc(C#N)cc1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328630989 KABSESFKRNKLEF-AZUAARDMSA-N 337.471 2.807 30 50 EFEA C/N=C(/NCC(=O)N1CCCC1)N1CCCC2(CCCCCC2)C1 153587267 CSPJUUMYLCFTAX-UHFFFAOYSA-N 334.508 2.621 30 50 EFEA Cc1cc(C#N)nc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1 287777726 IFZQQGYDYFCYJE-CYBMUJFWSA-N 343.381 2.818 30 50 EFEA N#Cc1ccc(NC[C@@H]2CCN(C[C@@H](O)c3cccc(F)c3)C2)nc1 222201273 FINNZIGBMIQRMS-MAUKXSAKSA-N 340.402 2.560 30 50 EFEA Cn1c(NC(=O)CCC(=O)OC(C)(C)C)nc2c(C#N)cccc21 408514504 DJFYNJHLUGVDFE-UHFFFAOYSA-N 328.372 2.505 30 50 EFEA C=CCn1c(=O)c(CNCCCn2ccnc2)cc2cc(C)ccc21 12151079 MGRHCSIRKMQVJU-UHFFFAOYSA-N 336.439 2.872 30 50 EFEA C=C1[C@H]2CC[C@@]3([C@@H]([C@H]2O)[C@@]24CCC[C@@]5(C)CN(CC)[C@H]2[C@@H]3C[C@H]45)[C@@H]1O 238809291 OVXLNQAYPUEDSI-NDUBFONPSA-N 343.511 2.821 30 50 EFEA biogenic C=CCC[C@H](CO)NC(=O)c1cc(OC)ccc1Br 315981286 ZTCIFVNRHHXAEK-SNVBAGLBSA-N 328.206 2.515 30 50 EFEA C#CCCC1(CCNC(=O)[C@H](C)Oc2ccc(Cl)cc2CO)N=N1 2325891562 OEWQLHAYZWFDNL-LBPRGKRZSA-N 349.818 2.681 30 50 EFEA CC#CC(=O)N[C@H](CC(=O)OCC)c1cccc(Br)c1 253392287 OLQRVBLNCDYTDU-CYBMUJFWSA-N 338.201 2.583 30 50 EFEA N#C[C@H]1CSCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 253418189 VGBNEXLBAPXPEQ-RDJZCZTQSA-N 347.459 2.505 30 50 EFEA CN1CCN(c2c(F)cc(C#N)cc2F)C[C@@H]1c1nc(C2CC2)no1 284675343 WUFGXBGRLTZODF-CQSZACIVSA-N 345.353 2.590 30 50 EFEA N#Cc1c(N)nc2c(c1-c1ccccc1F)c(=O)nc1sccn12 19933113 OKPRNXCJDOSTNO-UHFFFAOYSA-N 337.339 2.564 30 50 EFEA N#Cc1ccc(NS(=O)(=O)c2cccnc2)c(Br)c1 170609127 LSHMZXUXVBOAQQ-UHFFFAOYSA-N 338.186 2.517 30 50 EFEA N/C(=N\OC(=O)COc1ccc(Cl)cc1Cl)c1cccnc1 4192023 YFEWZWVKEUSSMO-UHFFFAOYSA-N 340.166 2.631 30 50 EFEA COc1ccc(/C=C/c2nc(C#N)c(NCCN(C)C)o2)cc1OC 4851959 WFSQKVNSOJRNCQ-SOFGYWHQSA-N 342.399 2.707 30 50 EFEA COc1cc2c(cc1OC)[C@@H](C1=C(O)CCCC1=O)N(C(C)=O)CC2 1427058 YEJCRIVQDUGRNS-IBGZPJMESA-N 345.395 2.715 30 50 EFEA CCOc1cc2c(cc1CO/N=C(/N)C1CCOCC1)O[C@@H](C)C2 116873795 MCSRWJZARQGIBX-LBPRGKRZSA-N 334.416 2.624 30 50 EFEA COc1nccc(N2CCCN(Cc3ccccc3F)CC2)c1C#N 77438963 CWGJTMGPSORTKF-UHFFFAOYSA-N 340.402 2.813 30 50 EFEA C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)C[C@@]1(C)[C@@H]2C(=C)CC[C@H]1O 256414181 FDDKULNHLFGRDK-OAPSZQPKSA-N 346.423 2.699 30 50 EFEA biogenic COc1ccc(CN[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1C#N 998423827 SVYYOXJVHLCUSK-IBGZPJMESA-N 349.434 2.961 30 50 EFEA CC#CC(=O)N1CCC[C@@](Cc2ccccc2C)(C(=O)OCC)C1 12207021 RAUJSPMENBQRMX-FQEVSTJZSA-N 327.424 2.733 30 50 EFEA COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)cc2O)cc1 4926017 CSHNWFXMPNGJFG-RQZCQDPDSA-N 342.380 2.910 30 50 EFEA O=C1N/C(=N/N=C/c2ccccc2O)S[C@@H]1Cc1ccccc1 22170936 QVRZSFPZCRZFBQ-CLXYIWAZSA-N 325.393 2.556 30 50 EFEA CC(C)(O)C#Cc1cccc(C(=O)N[C@H]2COc3ccccc3C2)c1 1506409107 OGOAZPQZIXAZPS-GOSISDBHSA-N 335.403 2.543 30 50 EFEA C[C@@H]1CN(c2ccc(NC(=O)N3CC[C@H](C#N)C3)cc2F)C[C@@H](C)O1 1875267489 IIHMPVAPLRRYIN-MGPQQGTHSA-N 346.406 2.817 30 50 EFEA C=C[C@@H](O)C(=O)N1CCC(c2nccc(-c3ccc(F)cc3)n2)CC1 952893137 LCLBMLKOXFQZTB-QGZVFWFLSA-N 341.386 2.536 30 50 EFEA N#CCc1ccc(OC[C@H](O)CN2CCC(C(F)(F)F)CC2)cc1 408513030 OKOSKDOEHUDPPI-OAHLLOKOSA-N 342.361 2.767 30 50 EFEA N#Cc1c[nH]c2ccc(C(=O)NCc3cccc4c3CCNC4)cc12 2325857283 WBBZBZFLHVSFAR-UHFFFAOYSA-N 330.391 2.615 30 50 EFEA C=CCN1C[C@@H](C(=O)N(CC=C)Cc2ccccc2C)CCC1=O 55325816 LIURXXOIZRDKNZ-SFHVURJKSA-N 326.440 2.934 30 50 EFEA CC(C)(C)O/C(O)=N/CC/C(O)=N/CCCO[C@@H]1CCCCO1 328592153 CGERUXLONNMLPZ-CQSZACIVSA-N 330.425 2.995 30 50 EFEA Cc1occc1-c1cc(=N/C(O)=N/[C@@H]2CCO[C@H](C3CC3)C2)[nH]o1 328587700 FLNOCNFUQIHUNK-OCCSQVGLSA-N 331.372 2.948 30 50 EFEA CCc1cc(-c2cc(-c3ccc4c(c3)OCCO4)nc(N)c2C#N)[nH]n1 67908221 SGSUBZZHWLUFDE-UHFFFAOYSA-N 347.378 2.926 30 50 EFEA N#Cc1ccc(O[C@@H]2CCN(C(=O)/C=C/c3ccccc3C#N)C2)nc1 366387705 QBRVUIGZGUFOBW-JHTBKMLMSA-N 344.374 2.518 30 50 EFEA CC(C)[C@H]1CN(C(=O)c2ccccc2C#N)CCC(=O)N1CC1CC1 71755088 BBTFFOWFMQWDAN-GOSISDBHSA-N 339.439 2.667 30 50 EFEA CC#CC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 241161363 KAFRFIBIXYVEGO-UHFFFAOYSA-N 332.201 2.850 30 50 EFEA C=C(C)C[C@@H]1N(c2cccc(C)c2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 239306080 GJPFCLSDILVNOY-ZPFYTHJMSA-N 339.391 2.701 30 50 EFEA Cc1ccc(NC(=O)NCCC(=O)NC2CCCCC2)cc1C#N 95528038 AEIDPEHNTFMNAD-UHFFFAOYSA-N 328.416 2.827 30 50 EFEA CN(C)Cc1cc(O[C@H]2CCN(Cc3ccc(C#N)s3)C2)ccn1 1775959155 LFQUYRCQKMNSAT-INIZCTEOSA-N 342.468 2.730 30 50 EFEA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NCc2cccc(C#N)c2)nn1 276298860 JKWKPCBIZHAZNL-DLBZAZTESA-N 339.443 2.651 30 50 EFEA C#CCNC(=O)c1ccccc1NC(=O)c1cccc([C@H]2CCOC2)c1 408513684 CKILYCGMFOUTNP-KRWDZBQOSA-N 348.402 2.806 30 50 EFEA C=CCN1C(=O)COc2ccc(NC(=O)c3cccc(OC)c3)cc21 12163417 HEHAQHFOCWWMRP-UHFFFAOYSA-N 338.363 2.859 30 50 EFEA N#Cc1ccc(NC(=O)N2CCCN(C(=O)C3CC3)CC2)cc1Cl 121773790 QJUANYIENJIPPO-UHFFFAOYSA-N 346.818 2.688 30 50 EFEA C=CCN(Cc1ccccn1)C[C@H]1[C@@H]2CN(C(=O)c3ccco3)C[C@H]12 102487045 RGRUJSHTFQKJRR-NNZMDNLPSA-N 337.423 2.681 30 50 EFEA N#Cc1ccc(N2CCN(C[C@H](O)CC3CCCC3)CC2)c(F)c1 352856249 CSYDAPXRXAZWMR-QGZVFWFLSA-N 331.435 2.761 30 50 EFEA CCCCCCCN[C@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 59768452 MUMZVHWDAPKNQL-INIZCTEOSA-N 346.427 2.665 30 50 EFEA C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C(=O)CO)CC[C@]12O 254478539 XKCAPZYNIKDWOX-OHXCOFTBSA-N 346.467 2.811 30 50 EFEA CC(C)CC[C@]1(C2CC2)NC(=O)N(Cc2ccc(C#N)cn2)C1=O 408522844 MNNMMWOZTMMYQM-GOSISDBHSA-N 326.400 2.590 30 50 EFEA C=CCOc1ccc(/C=C2/NC(C)=C(C(=O)OCC)C2=O)cc1OC 4094864 SIKXAFXOMRZIQE-GXDHUFHOSA-N 343.379 2.610 30 50 EFEA C=CCNc1ncnc2sc(C(=O)NCc3ccon3)c(C)c12 12217884 HGHDEYAZWBUUDF-UHFFFAOYSA-N 329.385 2.516 30 50 EFEA N/C(=N/OC(=O)CCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 18161883 GPMUKEIZCUXRDG-UHFFFAOYSA-N 343.339 2.618 30 50 EFEA Cc1c(C#N)c(N2CCC3(CC2)CN(C)C(=O)O3)nc2ccccc12 1857677097 XATBBENZRRORHZ-UHFFFAOYSA-N 336.395 2.836 30 50 EFEA CCc1nn(C)cc1C/N=C(/O)N1CCC[C@@H]1c1noc(C(C)C)n1 329159547 XPRMXDKYNWUCGZ-CQSZACIVSA-N 346.435 2.740 30 50 EFEA C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F 132241789 IOFZMLGJYQJPMQ-QMMMGPOBSA-N 331.269 2.544 30 50 EFEA CC(C)(C#N)CCCN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 177149784 KFZUFBKXTIKKCM-GOSISDBHSA-N 327.384 2.546 30 50 EFEA Cn1cc(C#N)cc1C(=O)N1CCN(c2ccccc2Cl)CC1 80938091 QLMLLUJBROZJMF-UHFFFAOYSA-N 328.803 2.513 30 50 EFEA N#Cc1ccc(Cn2c(Cc3ccc(F)cc3)noc2=O)cc1F 1875318977 WYYJJQBNWPJIDW-UHFFFAOYSA-N 327.290 2.625 30 50 EFEA CO[C@H]1CN(/C(O)=N/[C@H](C)c2c(F)cccc2Cl)C[C@H]1OC 331125040 QTQGSFSFSZWRTO-WQAKAFBOSA-N 330.787 2.800 30 50 EFEA Cc1ncc(N=C(O)N2CCC[C@H]2Cn2ccnc2C)c(C2CC2)n1 328587665 DXAJHIJPRYVHLH-HNNXBMFYSA-N 340.431 2.877 30 50 EFEA Cc1cc(C#N)ccc1S(=O)(=O)Nc1nnc(-c2ccccc2)o1 170596531 FQOGIWVKNJSKNV-UHFFFAOYSA-N 340.364 2.718 30 50 EFEA N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 279588709 UCIQXXZIUXQZRY-OAQYLSRUSA-N 345.402 2.577 30 50 EFEA N#Cc1ccccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 620995 MHUYGGLBANGXQB-UHFFFAOYSA-N 333.347 2.573 30 50 EFEA CS(=O)(=O)Oc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 4118313 NIRAUKLDARHTRI-KRXBUXKQSA-N 346.360 2.650 30 50 EFEA N#CCCn1cc(C(=O)n2nnc3ccccc32)c(-c2ccccc2)n1 3355964 UTJVSGWWDQLTDJ-UHFFFAOYSA-N 342.362 2.897 30 50 EFEA COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@@H](c2ccccc2)C1 229862258 RSNUZUDCEVLHRK-RTBURBONSA-N 336.391 2.846 30 50 EFEA CC[C@H]1COCCN1/C(O)=N/Cc1ccncc1OCC(F)(F)F 330964390 ZMEZQNHKKINRRN-LBPRGKRZSA-N 347.337 2.548 30 50 EFEA N#Cc1ncccc1NCC1CCN(C[C@@H](O)c2ccccc2)CC1 377981954 GGBHJFMJAZLIAU-HXUWFJFHSA-N 336.439 2.811 30 50 EFEA CCNc1ncc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cn1 91694039 SGBMVKCRBOCMNX-UHFFFAOYSA-N 335.411 2.606 30 50 EFEA C[C@@H]1CCCN(S(=O)(=O)c2oc(-c3ccccc3)nc2C#N)C1 252483710 FHFJZUYVJWXINX-GFCCVEGCSA-N 331.397 2.634 30 50 EFEA COC1(OC)CC2(CN(c3cncc(C#N)n3)[C@H]2c2ccccc2)C1 952883106 QUARXIWUUPKWIK-KRWDZBQOSA-N 336.395 2.679 30 50 EFEA N#Cc1ncccc1S(=O)(=O)N(CC1CCC1)c1ccccc1 277156161 LFNMQSAZQZFKRM-UHFFFAOYSA-N 327.409 2.949 30 50 EFEA Cc1oc(C#N)cc1C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 281013166 HNSAJPXYEQKLTJ-BDJLRTHQSA-N 332.306 2.686 30 50 EFEA CC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccccc1OCC#N 2863780 PAXMJVOSFDDVON-LJQANCHMSA-N 347.374 2.943 30 50 EFEA CCO[C@H]1C[C@@H](N(C)CC(=O)Nc2sccc2C#N)C12CCC2 153967898 LVFDASMFJPCCAR-KGLIPLIRSA-N 333.457 2.838 30 50 EFEA C=CCCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 72430354 OVVSYMDGDKZFGI-FQEVSTJZSA-N 341.455 2.779 30 50 EFEA C=CC(=O)Nc1ccc(O)c(C(=O)N2CC[C@H](CC#N)C(F)(F)C2)c1 1875297161 FDGFRVOMOVCZEL-NSHDSACASA-N 349.337 2.528 30 50 EFEA C[C@@H](NC(=O)NS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 1875328274 IYXLXQOOTKLIQL-GFCCVEGCSA-N 335.429 2.515 30 50 EFEA CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4097110 CXDWHYOBSJTRJU-SRWWVFQWSA-N 346.467 2.809 30 50 EFEA biogenic,in-vitro C#CCCC1(CCN2C(=O)N[C@@](CC)(c3ccc(F)cc3)C2=O)N=N1 2325891375 BVULLCVZQFUDPC-SFHVURJKSA-N 342.374 2.948 30 50 EFEA C=C(C)COc1cccc(C(=O)N(C)Cc2cc(COC)[nH]n2)c1 55342056 GYPVWSVQEFXZSM-UHFFFAOYSA-N 329.400 2.783 30 50 EFEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2ncc(Cl)cc2F)C1 328610340 HILYCHKLFNZKQS-AWEZNQCLSA-N 339.758 2.648 30 50 EFEA CC(C)(C#N)c1ccccc1CN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 284640468 CBHRWJTVUXAYOK-UHOSZYNNSA-N 328.456 2.850 30 50 EFEA C=CCn1cc(CN2CCN(c3nc4ccccc4o3)CC2)c(C)n1 214968095 XZTDHHNCKSPFFK-UHFFFAOYSA-N 337.427 2.841 30 50 EFEA COC1(OC)CC2(CN(c3cncc(C#N)n3)[C@@H]2c2ccccc2)C1 952883109 QUARXIWUUPKWIK-QGZVFWFLSA-N 336.395 2.679 30 50 EFEA C=C(C)COc1ccccc1NC(=O)c1nn(C)c2c1CC(=O)CC2 952869355 HQKSJQMVBQYSIS-UHFFFAOYSA-N 339.395 2.685 30 50 EFEA C[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1n1ccnc1 110700327 XJQOULNWLMJKNW-RHSMWYFYSA-N 348.410 2.888 30 50 EFEA COc1cccnc1N=C(O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 328594672 ISGRERUYQLMQOI-CHWSQXEVSA-N 331.372 2.817 30 50 EFEA Cc1noc([C@@H](N/C(O)=N/C(C2CC2)C2CC2)C2CCOCC2)n1 328624729 KCOSBEKFQDWRSA-HNNXBMFYSA-N 334.420 2.538 30 50 EFEA N#Cc1ccc(N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 253417128 VNYDCQIVMDKKNV-GOEBONIOSA-N 327.315 2.918 30 50 EFEA N#Cc1ccc(O[C@H]2CCN(C(=O)/C=C/c3ccccc3C#N)C2)nc1 366387701 QBRVUIGZGUFOBW-IWHGQQBYSA-N 344.374 2.518 30 50 EFEA Cc1oc(C#N)cc1C(=O)N1CCC[C@@H](Cc2nnc3ccccn23)C1 375628182 MYLUXWYHHRHOMZ-AWEZNQCLSA-N 349.394 2.597 30 50 EFEA C=CCN1CCc2c(c(C(=O)NCc3ccccc3)nn2CC=C)C1 14531046 NDVQTDPEEFMYHT-UHFFFAOYSA-N 336.439 2.543 30 50 EFEA Cc1cc([C@H]2CCCN(C(=O)Nc3snc(C)c3C#N)C2)[nH]n1 297553674 ZTMGXHQEPLSAFN-NSHDSACASA-N 330.417 2.766 30 50 EFEA CC(C)(C)c1ccc(C#N)c(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)n1 952890732 YZPDVCPZQXGCSW-JSGCOSHPSA-N 326.404 2.559 30 50 EFEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)CC2=CCCC2)cc1 1565512058 QVUHQGFPSAUWKJ-ROUUACIJSA-N 326.396 2.711 30 50 EFEA Cc1ccc(S(=O)(=O)O[C@@H](C#N)c2ccccc2[N+](=O)[O-])cc1 2023884 LTPIGNRUKWZMSY-HNNXBMFYSA-N 332.337 2.873 30 50 EFEA C=CCn1c(CC2CCCCC2)nnc1N1CCO[C@]2(CCOC2)C1 253398245 QUVWRTXIEJNCHJ-LJQANCHMSA-N 346.475 2.583 30 50 EFEA CN1CCCC[C@@H]1CNC(=O)N1CCC(C#N)(c2ccccc2)CC1 426727525 RCSPGPUTYDFGTC-GOSISDBHSA-N 340.471 2.738 30 50 EFEA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2ccc(C)c(C#N)c2)C3)o1 952851886 YIGXFRLTGGVPAQ-LPHOPBHVSA-N 336.395 2.752 30 50 EFEA CC[C@@H](CC#N)NC(=O)c1cc2nc(Br)sc2[nH]1 1776006295 OGSQLVUSEPTXDZ-LURJTMIESA-N 327.207 2.809 30 50 EFEA C[C@H]1CN(C(=O)CSCC#N)c2cc(Br)ccc2O1 195274931 ZCLNACVNFBCCDG-VIFPVBQESA-N 341.230 2.820 30 50 EFEA C#CCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 2871576 JFGXAMLMALAIMO-QGZVFWFLSA-N 345.807 2.842 30 50 EFEA N#CCCN(C(=O)C[C@H]1COC(=O)C1)C12CC3CC(CC(C3)C1)C2 133735456 KIVWEMXOPGZXLU-LZUXJJCOSA-N 330.428 2.651 30 50 EFEA COC(=O)COc1ccccc1-c1cc(C(C)C)nc(N)c1C#N 67726503 AMPMCXXPZJKMJQ-UHFFFAOYSA-N 325.368 2.878 30 50 EFEA O=S(=O)(c1ccsc1)N1CCC[C@H]1C(O)=Nc1nccs1 329027697 AABFNUKJKOMLEF-JTQLQIEISA-N 343.455 2.646 30 50 EFEA C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1cccc(/C(O)=N/C2CC2)c1 329945296 XFTRPTHBNWUFHG-RDTXWAMCSA-N 341.455 2.852 30 50 EFEA Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccccc1F 129405327 XPBQHFBRNXAFNW-UHFFFAOYSA-N 349.369 2.581 30 50 EFEA CN(C(=O)Cn1ccc(C(F)(F)F)cc1=O)C1(C#N)CCCCC1 289778533 WSLRLQWBRJPOJL-UHFFFAOYSA-N 341.333 2.552 30 50 EFEA N#Cc1nc(NC[C@H]2CC[C@@H](c3n[nH]c(C4CC4)n3)O2)ccc1Cl 1775957715 JWRMTQVTLJDWCX-MFKMUULPSA-N 344.806 2.934 30 50 EFEA C#CCCCNC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 193380593 JPEXSNBYGPLMGS-HOTGVXAUSA-N 338.373 2.827 30 50 EFEA C=CCCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 11873275 QFKYSVYYKXQXCR-CYBMUJFWSA-N 340.345 2.889 30 50 EFEA C[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@H](C)O1 19902709 NGUCHHJHPKUYRS-AGIUHOORSA-N 347.484 2.792 30 50 EFEA N#CC1(C#N)[C@@H](c2ccccn2)O[C@@]23CCCC[C@H]2[C@@]1(C#N)C(=N)O3 208168926 OTQRLNCCPUJYEO-IHETXDGRSA-N 333.351 2.590 30 50 EFEA C=CCN(Cc1cccc(OCC)c1)C(=O)[C@H]1CCN(CCOC)C1 55405235 NTTWDNFRCJLWQU-SFHVURJKSA-N 346.471 2.568 30 50 EFEA Cc1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)CCC3)cc1Cl 100257109 XKSGQTDNRFYCDY-NSHDSACASA-N 332.787 2.730 30 50 EFEA N#Cc1cc2n(n1)CCCN(C(=O)c1ccc([C@@H]3CCCO3)s1)C2 65399403 OBSTTZFZTIQFPD-AWEZNQCLSA-N 342.424 2.714 30 50 EFEA OC1=NC[C@H](/N=C(/O)Nc2ccc(OC(F)F)c3cccnc23)C1 328596024 OHRBMIZENHJSFG-MRVPVSSYSA-N 336.298 2.891 30 50 EFEA COC[C@H]1CCCN(C(=O)c2ccc(Br)cc2C#N)C1 448981104 SCBHMVBKKZLMRL-NSHDSACASA-N 337.217 2.819 30 50 EFEA C=C(C)C(C)(C)C(=O)NCc1cccc(-n2cc([C@@H](C)O)nn2)c1 1875323590 MUYGYYMEWIODPE-CYBMUJFWSA-N 328.416 2.539 30 50 EFEA C#CCOc1cc(C(=O)N(CC)C[C@@H]2CCCCO2)ccc1OC 952959968 VADUUEKVTSGSPL-INIZCTEOSA-N 331.412 2.738 30 50 EFEA Cn1cc([C@@H]2OCCC[C@H]2CNc2ncc(C#N)cc2Cl)cn1 886094247 XJZTWNLOPIYIDY-SWLSCSKDSA-N 331.807 2.920 30 50 EFEA C=CCOc1ccc(C(=O)NCCc2c(C)n[nH]c2C)cc1OCC 55269490 LPTTVJXASPUNLI-UHFFFAOYSA-N 343.427 2.963 30 50 EFEA C=CCN(c1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1)S(C)(=O)=O 101470052 JKKJOITZJVEORZ-QRTARXTBSA-N 348.468 2.557 30 50 EFEA C=CCc1cccc(Cl)c1OCCCNCCN1CCOCC1 20482450 PSEDXZFIIYVTGR-UHFFFAOYSA-N 338.879 2.759 30 50 EFEA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(O)=Nc1cccnc1 328631369 KLDSKPBQYCFNEJ-JSGCOSHPSA-N 349.435 2.628 30 50 EFEA N#C[C@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CCN1C1CC1 370969174 PVBHIHGMMQBDGV-KRWDZBQOSA-N 336.439 2.689 30 50 EFEA N#Cc1ccccc1OCC(=O)N1CC[C@@H](n2ncc3ccccc32)C1 378581620 UFEMPRWSWIWUAT-QGZVFWFLSA-N 346.390 2.760 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H]2CCO[C@@H](c3ccccn3)C2)N=N1 952876286 KNZWZLLUBNHINV-GDBMZVCRSA-N 326.400 2.774 30 50 EFEA Cc1nc(C#N)cc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)n1 952992039 IFUNBCVYOVIZNY-UHFFFAOYSA-N 336.321 2.783 30 50 EFEA COc1c(C)cc(C)cc1S(=O)(=O)Nc1[nH]nc(C2CC2)c1C#N 253398142 MPGOFYQBYRGUPL-UHFFFAOYSA-N 346.412 2.585 30 50 EFEA COCc1cc(C)nc(SCC(=O)Nc2ncc(C)s2)c1C#N 2846060 GUCGESLUKBUHEX-UHFFFAOYSA-N 348.453 2.904 30 50 EFEA CC(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 240321580 FAMYNOXEJURBLX-ZVZYQTTQSA-N 330.428 2.893 30 50 EFEA COc1ccc(O)c(/C=N/[C@@H](C)Cn2ncc3ccccc3c2=O)c1 160085916 BFYHFQUPHNZASN-NPNVKNKFSA-N 337.379 2.618 30 50 EFEA CN(Cc1cccnc1)C[C@H]1CCN(Cc2ccc(C#N)s2)C1 190471279 QBUSKVSGSADJGN-MRXNPFEDSA-N 326.469 2.969 30 50 EFEA C[C@@H](C/N=C(/O)c1cncc(-n2ccnn2)c1)c1ccc(F)cc1 330032522 OWYMNFMDWGWSJF-LBPRGKRZSA-N 325.347 2.910 30 50 EFEA C=C(C)CN1C(=O)N[C@@](CC)(C2CCN(C(=O)[C@H](C)CC)CC2)C1=O 14879189 VAEHOPKTILIXNV-KUHUBIRLSA-N 349.475 2.548 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)CSc2ccccc2)cc1OC 4978576 KTMMTYICGBFUSI-UHFFFAOYSA-N 346.408 2.660 30 50 EFEA O/C(=N/[C@@H]1CCO[C@H](C2CC2)C1)Nc1cn(Cc2ccccc2)nn1 328588884 YETLFIKLTSNZJG-CVEARBPZSA-N 341.415 2.610 30 50 EFEA O=S(=O)(N/N=C\c1cccc(O)c1O)c1ccc2ccccc2c1 17071509 JHBRHEKBSGQYKF-WQRHYEAKSA-N 342.376 2.563 30 50 EFEA CCn1nccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CC(C)(C)C2 20606636 IGLRLDBMQFBTDQ-QGZVFWFLSA-N 343.427 2.680 30 50 EFEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43CO)[C@H]1CC[C@H]2C(N)=O 257345642 FCKREEZOLFAONZ-KHKZNYETSA-N 331.456 2.592 30 50 EFEA N#C[C@@H]1CCC[C@H](NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)C1 221847519 YASLPYBCLVCVKP-OSAQELSMSA-N 336.819 2.817 30 50 EFEA Cc1nnc(CN2CCN(c3ccc(C#N)cc3Cl)CC2)s1 277834410 RRVAZDGPMPCMFN-UHFFFAOYSA-N 333.848 2.694 30 50 EFEA Cn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccco1 5864631 OFWFBRMAXNMFIQ-UHFFFAOYSA-N 339.380 2.678 30 50 EFEA N#Cc1cc(NS(=O)(=O)c2ccns2)ccc1OC(F)(F)F 2325855922 VBVAGVFBCXQILP-UHFFFAOYSA-N 349.315 2.714 30 50 EFEA C[C@@H](CC(=O)c1ccc(F)cc1)/N=C(/O)C1(N2CCOCC2)CCC1 328587201 HBBFTYJBZPSOFE-AWEZNQCLSA-N 348.418 2.998 30 50 EFEA O=C(O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3CCOC3)c2)c1 238200232 NWJUHKRSOCXEOV-QGZVFWFLSA-N 335.359 2.760 30 50 EFEA CC(C)(C)[C@H](C#N)NC(=O)c1n[nH]c2ccc(Br)cc12 268004574 NVKYXYLFUOCEQE-NSHDSACASA-N 335.205 2.993 30 50 EFEA C=CCN1C[C@H](N[C@@H](C)c2ccc(OC)c(OC)c2C)CCC1=O 1875279628 ZPHWIKNMVXZPSA-LSDHHAIUSA-N 332.444 2.840 30 50 EFEA CNc1cc(N2CCC[C@@H]2CNc2cc(C#N)cc(Cl)n2)ncn1 1875275473 YYVMKOIJHFIGGN-GFCCVEGCSA-N 343.822 2.519 30 50 EFEA N#Cc1ccnc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 1413050780 SWYOCKNVIQOOSB-HZPDHXFCSA-N 335.329 2.577 30 50 EFEA C=CCN1C(=O)/C(=C2\SC(=S)N(CC)C2=O)c2ccccc21 2287340 RHPCSPBTSKRETH-SEYXRHQNSA-N 330.434 2.811 30 50 EFEA COc1cc(/C=N/N2CCN(Cc3ccccc3)CC2)ccc1O 19771331 YQSUJZQWPPACLY-XSFVSMFZSA-N 325.412 2.553 30 50 EFEA CC(C)c1nc2n(n1)C[C@@H](/N=C(/O)c1cccc3nccnc13)CC2 329679155 QSFBNOCNYPDVKA-LBPRGKRZSA-N 336.399 2.664 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2CCCC[C@H]2c2ccnn2C)N=N1 2325886393 VKSBXGUVXJRTPB-CABCVRRESA-N 327.432 2.918 30 50 EFEA COc1ccc(C(=O)[C@@]2(C)N(O)[C@H](C)C(c3cccs3)=[N+]2[O-])cc1 4314837 TUHVFKNTNUSOMW-DIFFPNOSSA-N 346.408 2.749 30 50 EFEA N#Cc1cc2n(n1)CCCN(C(=O)c1ccc([C@H]3CCCO3)s1)C2 65399404 OBSTTZFZTIQFPD-CQSZACIVSA-N 342.424 2.714 30 50 EFEA COc1ccc(CNC[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1C#N 328656925 ZUTGWRBTVNEJGX-PXNSSMCTSA-N 336.439 2.744 30 50 EFEA C=CCn1cc(-c2cn(Cc3cc(C(C)(C)C)n[nH]3)nn2)c(C)n1 91390879 DHSMACCRBUYCEZ-UHFFFAOYSA-N 325.420 2.705 30 50 EFEA N#C[C@@H]1CN(C(=O)CCc2ccc(O)cc2)CCN1Cc1ccccc1 183623200 QWDPCGZYVQGMJX-LJQANCHMSA-N 349.434 2.561 30 50 EFEA CN(C)C(=O)c1cc(NC(=O)N[C@@H](CC#N)c2ccccc2)ccn1 170600060 OJLRWUWKFVUJKW-HNNXBMFYSA-N 337.383 2.560 30 50 EFEA COC(=O)c1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 4488887 LRDAHSGOXMGNIS-ZDUSSCGKSA-N 327.380 2.720 30 50 EFEA Cc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1=C(C[C@@H](C)CC1=O)N2 9060931 LXLIRACUCZYJRS-ZMZPIMSZSA-N 337.427 2.921 30 50 EFEA CC(C)Oc1c(B2OC(C)(C)C(C)(C)O2)cc(F)cc1[N+](=O)[O-] 170003744 LYDWWFWBAZBLPS-UHFFFAOYSA-N 325.145 2.820 30 50 EFEA C#C[C@@H](NC(=O)N[C@@H](C)c1nc(-c2ccccc2OC)no1)C(C)C 253428195 IHNRWHKBGZBBDV-GXTWGEPZSA-N 342.399 2.763 30 50 EFEA COc1cc(C#N)ccc1OCCN1CC[C@@H](O)c2ccccc2C1 367923929 FRILHYKAOZSUIO-GOSISDBHSA-N 338.407 2.885 30 50 EFEA Cc1nsc(NC(=O)NC[C@@]2(C)OCCc3sccc32)c1C#N 297289823 ALTAPCDRCVYAPK-OAHLLOKOSA-N 348.453 2.994 30 50 EFEA O=C(C#Cc1ccccc1)NC[C@H]1CC(Cc2ccc(F)cc2)=NO1 14993238 KPAMYIPFJPZHQW-LJQANCHMSA-N 336.366 2.681 30 50 EFEA COc1cc(Cl)c(C)cc1NC(=O)CCNc1cnc(C#N)cn1 126246931 PSHYLTPADLKJDH-UHFFFAOYSA-N 345.790 2.759 30 50 EFEA Cc1ccccc1-c1noc(=O)n1CCCC1(C#N)CCOCC1 252479239 BBVSRUQHRJPQTK-UHFFFAOYSA-N 327.384 2.912 30 50 EFEA C=CCOC(=O)C1=C(C)N(CC)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 2757592 SRVHFXQSMQPBBD-HNNXBMFYSA-N 345.355 2.684 30 50 EFEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)/C(O)=N/Cc1ccoc1 328641865 YDQPHEQKYXKWDM-IRXDYDNUSA-N 328.416 2.713 30 50 EFEA Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc(C#N)c(C)n2)n1 369495971 HDRAEFFSKSENRL-INIZCTEOSA-N 335.411 2.682 30 50 EFEA COc1ccccc1CC1(O)CCN(C[C@@H](C#N)CCC#N)CC1 373967928 HJMGEAANDNTRGS-MRXNPFEDSA-N 327.428 2.508 30 50 EFEA CC#CC(=O)NCc1cc(Br)ccc1Br 242191319 XEOBODFTYCCIAV-UHFFFAOYSA-N 331.007 2.851 30 50 EFEA CCOC(=O)c1[nH]c(C2CCN(c3ccc(C#N)cn3)CC2)nc1C 1775993779 KIJDIMSNMRRFGI-UHFFFAOYSA-N 339.399 2.546 30 50 EFEA CC(=C1C(=O)c2ccccc2C1=O)N1CCN(c2ccccn2)CC1 19899332 LORLWUYVUNESLV-UHFFFAOYSA-N 333.391 2.557 30 50 EFEA N#CC1(CNC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)CCC1 333127046 AKVGUYNQVUXTSU-FGTMMUONSA-N 339.439 2.894 30 50 EFEA Cc1c(CCC#N)c(N2CCOCC2)n2c(nc3ccccc32)c1C#N 4114920 APEATUFBGRYWLV-UHFFFAOYSA-N 345.406 2.960 30 50 EFEA COc1ccc(Br)cc1N/C(O)=N/[C@@H]1CCCN=C1O 328589549 LSPIRMMBUAJQMH-SECBINFHSA-N 342.193 2.903 30 50 EFEA COc1cccc(COC[C@H](O)CN(C)c2ccc(C#N)cc2)c1 328597971 JTYMZQLIJDWPHG-GOSISDBHSA-N 326.396 2.581 30 50 EFEA CCCCN1C[C@@]2(CCCN(Cc3cc(C#N)n(C)c3)C2)CCC1=O 77342505 PPVWAKDZFDQCOP-FQEVSTJZSA-N 342.487 2.901 30 50 EFEA N#C[C@@H]1N(C(=O)c2nc3cccnc3s2)CCC[C@@]12CCCCO2 239672571 BTXHRXZOIJGPLE-GUYCJALGSA-N 342.424 2.759 30 50 EFEA N#Cc1cncc(N2CCN(Cc3cccc4ccccc34)CC2)n1 420585824 NMWXWWJSKHEDLG-UHFFFAOYSA-N 329.407 2.824 30 50 EFEA Cc1nc(C(=O)N2CCc3[nH]nc(-c4cccc(C#N)c4)c3C2)cs1 19850495 FEMZDIVMGMUPPV-UHFFFAOYSA-N 349.419 2.912 30 50 EFEA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C 253671789 LCZBQMKVFQNSJR-GMKKGPAZSA-N 346.467 2.809 30 50 EFEA C#CCCC1(CCC(=O)Nc2ccccc2CN2CCOCC2)N=N1 952880734 LAAWGYYPDZQVPJ-UHFFFAOYSA-N 340.427 2.813 30 50 EFEA COc1ccc2nc(N/C(N)=N/C(=O)c3ccccc3)nc(C)c2c1 4187552 JZEBNMBOOLXBMC-UHFFFAOYSA-N 335.367 2.514 30 50 EFEA C=CC[C@H](CC)NC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C 253427468 UGRQCDSDRAQSHR-SOLBZPMBSA-N 330.476 2.946 30 50 EFEA Cc1ccc(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1C#N 375612980 PHHXJMOAANRZOQ-GOSISDBHSA-N 328.412 2.667 30 50 EFEA C=CCOc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 6702530 VCTRFIKANPDISU-UHFFFAOYSA-N 346.408 2.875 30 50 EFEA C=CCC[C@@H](NC(=O)N1CCCN(C(C)=O)CC1)c1ccccc1 178452364 GKJAAGLCQHTJTD-GOSISDBHSA-N 329.444 2.958 30 50 EFEA Cc1cccc(Nc2ccncc2S(=O)(=O)/N=C(\O)NC(C)C)c1 5823 NGBFQHCMQULJNZ-UHFFFAOYSA-N 348.428 2.734 30 50 EFEA biogenic,fda CC(C)=NO[C@]1(c2ccccc2)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@]12C 169680410 AZSRYZCKCCBBQT-JQHSSLGASA-N 333.351 2.823 30 50 EFEA C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 1004074 NACORSFPULUHJH-UHFFFAOYSA-N 346.408 2.895 30 50 EFEA Cc1c(CCC(=O)N2CCCC2)c(=O)n2c([nH]c3ccccc32)c1C#N 9047262 AEVYTKKOGUOZJH-UHFFFAOYSA-N 348.406 2.516 30 50 EFEA Cc1nc(CN(C)[C@@H]2CCCN(Cc3ccc(C#N)cc3)CC2)no1 328653871 XAZRYSDJZGUUCV-GOSISDBHSA-N 339.443 2.736 30 50 EFEA COc1ccc(-c2cc[n+](CC(=O)c3cccs3)cn2)cc1OC 5670973 ANJTXQCHJVRXTO-UHFFFAOYSA-N 341.412 2.998 30 50 EFEA O=S1(=O)CCCN1CC/C(O)=N/[C@@H](c1cccs1)C1CC1 328877304 KMXDGKXTCWTIFX-CQSZACIVSA-N 328.459 2.581 30 50 EFEA C#CCCC1(CCC(=O)N2CCNC[C@@H]2c2ccc(F)cc2)N=N1 2325901221 YLVIZACTRYWBIJ-MRXNPFEDSA-N 328.391 2.654 30 50 EFEA Cc1cc(C)nc(/N=C(\N)N2CCN(c3cccc(Cl)c3)CC2)n1 54253627 OFTZUXXGXBJPQC-UHFFFAOYSA-N 344.850 2.515 30 50 EFEA CCc1nc(CN(C)[C@@H](C(=O)O)c2ccc(C(C)(C)C#N)cc2)no1 95386661 HXEUJMWZAPEDTF-MRXNPFEDSA-N 342.399 2.691 30 50 EFEA C=C1[C@@H](NC(=O)CCc2cccnc2C(=O)O)C[C@H]2C[C@@H]1C2(C)C 1875286495 WDMPJRIHRSGTFO-ILXRZTDVSA-N 328.412 2.819 30 50 EFEA C#CC1(O)CCN(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)CC1 952879756 RVRSJCQAENECRI-GFCCVEGCSA-N 338.354 2.519 30 50 EFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC(c3ccncc3)CC2)o1 952991519 ZFGPWSHSPZUFCG-UHFFFAOYSA-N 338.407 2.817 30 50 EFEA N#Cc1cc2c(nc1N[C@@H]1COC[C@H]1Cc1ccncc1)CCCC2 1704336759 MYXKRGXKLXIKEU-IEBWSBKVSA-N 334.423 2.897 30 50 EFEA CC(=O)O/N=C1C(=C\c2ccccc2OC(C)=O)/N2CCC/1CC2 448314 IIZBVAFXCYXRCZ-FLXQFUDPSA-N 328.368 2.598 30 50 EFEA CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc([N+](=O)[O-])cc1 5853179 MBJZLKRKNDUXQH-OAHLLOKOSA-N 342.307 2.672 30 50 EFEA CC1(C)OB(c2ccc(C(=O)NCc3ccccc3)cc2)OC1(C)C 169746076 VAFYISMQZLEYKR-UHFFFAOYSA-N 337.228 2.916 30 50 EFEA N#Cc1ccc(N2CCN(C(=O)C3(O)CCCCC3)CC2)c(Cl)c1 332379055 FUKQTGKUKIIONG-UHFFFAOYSA-N 347.846 2.555 30 50 EFEA C#CCC(C)(C)N[C@@H](C(N)=O)c1ccc(Br)cc1F 2325771908 AXXLKACOACAREN-GFCCVEGCSA-N 327.197 2.506 30 50 EFEA COc1cc(C(=O)ON=C2C=C(C)C(=O)C(C)=C2)cc(OC)c1OC 193536 DTVHIFQMJDOHJN-UHFFFAOYSA-N 345.351 2.701 30 50 EFEA aggregator C=CCn1c(=O)c(C(=O)Nc2ncccc2C)c(O)c2ccccc21 100331643 VAOYGZCNCIHQPR-UHFFFAOYSA-N 335.363 2.849 30 50 EFEA Cc1ccc(N2CC[C@@H](CN(C)Cc3scnc3C)C2)nc1C#N 225603704 JIQYBEAUAPHERP-HNNXBMFYSA-N 341.484 2.985 30 50 EFEA C[C@@H](/C(O)=N/C1CCN(c2nccn(C)c2=O)CC1)c1cccs1 328631166 KDMGGQOISJPJQG-GFCCVEGCSA-N 346.456 2.571 30 50 EFEA CC(C)[C@H]1N(S(=O)(=O)c2cncc(C#N)c2)CC12CCCCC2 333890499 GTZHYLPINSTKQO-MRXNPFEDSA-N 333.457 2.933 30 50 EFEA C=CC[C@@]1(C(=O)O)CCCN(CCC(=O)NCc2ccc(F)cc2)C1 91536847 AERZYUBOEBDUQS-LJQANCHMSA-N 348.418 2.575 30 50 EFEA N#Cc1ccnc(NS(=O)(=O)c2ccccc2Br)c1 170608335 AVADZDYLXBFGDI-UHFFFAOYSA-N 338.186 2.517 30 50 EFEA C#CCOc1ccccc1NC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 188088285 XMGUJJPUOVKKBB-KSSFIOAISA-N 346.452 2.875 30 50 EFEA C=CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OC)SC1=S 16667220 LFKUWSVNIBJVBW-WQLSENKSSA-N 336.394 2.991 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC 19314922 YSGYVCFASCFXQP-QGZVFWFLSA-N 327.380 2.836 30 50 EFEA CC(C)(C#N)CCN1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 345728229 NAACYFRHNCXNOT-UHFFFAOYSA-N 348.878 2.836 30 50 EFEA C[C@H]1Cc2c(C#N)cccc2N1C(=O)c1ccc(Cn2cncn2)cc1 2325848824 SNYYBKZHXFDAMP-AWEZNQCLSA-N 343.390 2.789 30 50 EFEA O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc(Cl)cc1)[C@H]1C=C[C@H]2C12CC2 105214719 GZALAPHOSCORED-LPDTVVLISA-N 326.783 2.871 30 50 EFEA O=C1CCCC2=C1C(c1ccc(O)c(O)c1)C1=C(CCCC1=O)N2 20513124 OILDDLXQXRDARC-UHFFFAOYSA-N 325.364 2.799 30 50 EFEA C[C@H](NC(=O)c1cc(Cl)cn1C)/C(O)=N/CCc1ccccc1 328598705 NSAMXBFXQWHRPR-LBPRGKRZSA-N 333.819 2.996 30 50 EFEA OC1=N[C@H](/C(O)=N/Cc2cccc(Cn3cncn3)c2)CCCC1 328594521 QFXOFIAGDCRAJX-HNNXBMFYSA-N 327.388 2.682 30 50 EFEA C#CCCC1(CCC(=O)N2CC(OCc3ccccc3F)C2)N=N1 1875368805 RHABZUPCHMLOPL-UHFFFAOYSA-N 329.375 2.909 30 50 EFEA N#Cc1ccc(NC(=O)CN2CCC[C@H](c3cn[nH]c3)C2)cc1Cl 1775985814 RJALBHZMKNTGQN-ZDUSSCGKSA-N 343.818 2.753 30 50 EFEA N#CCC1(CN2C(=O)CCc3cc(NC(=O)c4cn[nH]c4)ccc32)CC1 408514371 HVFBKTVVKJRDST-UHFFFAOYSA-N 349.394 2.635 30 50 EFEA C=CCN1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)SC1=S 4498930 HBEFZCPNYHWRAX-NTCAYCPXSA-N 346.477 2.910 30 50 EFEA COC(=O)c1cnc(O)c(N=C(O)[C@H](C)/N=C(/O)CC(C)(C)C)c1 330033297 YXTFXEBJWSURMB-VIFPVBQESA-N 337.376 2.943 30 50 EFEA CC(=O)NC1CC([C@H]2CCN(C(=O)c3cc(C#N)ccc3Cl)C2)C1 2325849344 MPAMZJKQUBLDFR-NFOMZHRRSA-N 345.830 2.588 30 50 EFEA COc1cc(C#N)ccc1OCCN1CCC[C@@H]1[C@H]1CCCC[C@H]1O 281578166 ZPQKAIHIFMIOJY-KZNAEPCWSA-N 344.455 2.961 30 50 EFEA C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)c1cccnc1C#N 318401808 JIXHYWLHEJMZSO-LLVKDONJSA-N 335.816 2.988 30 50 EFEA COCCCN(Cc1ccc(C)cc1)C(=O)c1cc(C#N)cn1C 215243051 YQFKGSBCLSMLFP-UHFFFAOYSA-N 325.412 2.884 30 50 EFEA C=CCn1c(SCc2cccnc2C)nnc1C1CCNCC1 426667634 SFRKMYGNOXUINV-UHFFFAOYSA-N 329.473 2.927 30 50 EFEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)c2cc(F)c(OC)c(F)c2)C1 92097222 WPBHYJIOXFFDAY-QGZVFWFLSA-N 339.338 2.857 30 50 EFEA N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1ccc2[nH]ccc2c1 164196632 MYIAVKQXMRWWSC-UHFFFAOYSA-N 336.351 2.642 30 50 EFEA N#Cc1cnc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cn1 274708593 SRSFDKYZCZCFFN-PKOBYXMFSA-N 333.439 2.839 30 50 EFEA C[C@@H]1OCCC[C@H]1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 191273929 IBWZMJCTANIMOQ-KBXCAEBGSA-N 328.412 2.743 30 50 EFEA CCN(C[C@H](C)C#N)S(=O)(=O)N(C)Cc1ccc(F)cc1Cl 253397713 PVLHROLLGWZTLU-LLVKDONJSA-N 347.843 2.637 30 50 EFEA CCn1cc(CN(Cc2cccnc2)C2CCN(C)CC2)cc1C#N 72156818 GQLGFPMXWNYUHC-UHFFFAOYSA-N 337.471 2.871 30 50 EFEA Cc1c(CN2CCCC[C@H]2CCc2nccn2C)cc(C#N)n1C 77406866 AQSVCQMTTAXKES-KRWDZBQOSA-N 325.460 2.926 30 50 EFEA CCCCc1ccc(S(=O)(=O)N/N=C\c2cccc(O)c2O)cc1 17072396 FBIGQGYEKSPJOX-PDGQHHTCSA-N 348.424 2.753 30 50 EFEA CC1(C)OB(c2ccccc2I)OC1(C)C 196261560 HSQZIRZPACYGJJ-UHFFFAOYSA-N 329.974 2.590 30 50 EFEA in-vitro CC(C)(O)C#Cc1ccc([C@H]2CC(=O)Nc3c2cnn3CC2CC2)cc1 65385213 UFVUFCURFFDVGE-QGZVFWFLSA-N 349.434 2.890 30 50 EFEA Cc1ncsc1CN(C)C[C@@H]1CCN(/C(O)=N/CC(C)(C)C#N)C1 328628839 HQFRTWHQSWKZGD-AWEZNQCLSA-N 349.504 2.669 30 50 EFEA CCOC(=O)c1cccc(-c2cc([C@@H]3CCOC3)c(C#N)c(N)n2)c1 71736144 ALMGARKQUHWXJZ-CQSZACIVSA-N 337.379 2.883 30 50 EFEA C#CCCC(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 1875257723 WNPLXJOPBHUPFF-UHFFFAOYSA-N 349.437 2.534 30 50 EFEA N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCN3)c2)c1 1875358079 IOUDPNSMICCPPP-KRWDZBQOSA-N 334.379 2.501 30 50 EFEA C=CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc1OCC 5027723 KSCWSBDQBJXPGY-KRWDZBQOSA-N 330.384 2.867 30 50 EFEA CC1(C)OB(c2ccc(F)c(C(=O)N3CCCCC3)c2)OC1(C)C 200999861 FHDRVESENFGOHH-UHFFFAOYSA-N 333.212 2.751 30 50 EFEA N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 253428064 GNGNGUNOADAAGE-NSHDSACASA-N 340.343 2.506 30 50 EFEA CCC#CCN1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 72476825 NLDSLSGHEBQOQP-HXUWFJFHSA-N 325.456 2.700 30 50 EFEA CN(C[C@H](O)c1ccc(C#N)cc1)C1CCN(c2ccccn2)CC1 364448496 QLXXFDKZWFGPPV-IBGZPJMESA-N 336.439 2.587 30 50 EFEA CC#CCN1CCC(OC)(c2nc(Cc3ccccc3)no2)CC1 284464599 NRKPPVSCTCJKMU-UHFFFAOYSA-N 325.412 2.621 30 50 EFEA N#Cc1ccc([C@H](O)CN2CCC(c3ccccc3CO)CC2)cc1 375566237 OVHDCZZLCPYPDR-OAQYLSRUSA-N 336.435 2.964 30 50 EFEA CN(Cc1cccc(C#N)c1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 284750744 FHGGLYCLXFPZBV-AZUAARDMSA-N 337.471 2.807 30 50 EFEA Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)N(C)C[C@H](C)C#N)c1 240934437 JCBRLFHNRVNWPC-RHSMWYFYSA-N 335.473 2.777 30 50 EFEA N#Cc1ccc2nc(N[C@@H]3CCCN(c4ncccn4)C3)ccc2c1 179889672 WJWPFJZWFVNWLO-MRXNPFEDSA-N 330.395 2.977 30 50 EFEA CC(C)N(C)c1ccc(CNc2cnn(-c3ncccc3C#N)c2)cn1 191600687 FGPANDOMOXEMDG-UHFFFAOYSA-N 347.426 2.991 30 50 EFEA N#Cc1ccc(Cl)cc1NCCc1ccc(S(N)(=O)=O)cc1 301177462 XFWFCWQZQBDSRI-UHFFFAOYSA-N 335.816 2.514 30 50 EFEA O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1cccnc1)n1ncnc1N2 4707486 UJEUWDIFWMBAQY-SJCJKPOMSA-N 333.351 2.682 30 50 EFEA C=CCN(C(=O)NCCCC)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O 2768712 MRMPPMNIZYXSPJ-MRXNPFEDSA-N 343.427 2.625 30 50 EFEA Cc1nn(CCO)c(C)c1-c1c(C)c(C2CCCC2)nc(N)c1C#N 71762086 PJDSBHXUSFQYIW-UHFFFAOYSA-N 339.443 2.974 30 50 EFEA CC(C)c1nnc2n1C[C@H](/N=C(/O)N1CCC(F)(F)[C@H](C)C1)CC2 329664667 PNUGTGXAKNJAEJ-VXGBXAGGSA-N 341.406 2.607 30 50 EFEA CCC1(C/N=C(/O)N2CCC(/N=C(/O)C3CC3)CC2)CCOCC1 329799050 GZYHMTKUVIBXQN-UHFFFAOYSA-N 337.464 2.938 30 50 EFEA Cc1nnc([C@H](C)N2CCN(c3ccc(C#N)cc3F)CC2)s1 332420442 QATCTDZFRDUSAQ-NSHDSACASA-N 331.420 2.741 30 50 EFEA C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1ccc(C(=O)O)cc1 170610013 VMJGLAXEZQXFNS-CYBMUJFWSA-N 338.363 2.682 30 50 EFEA C[C@H]1COC[C@H]2CN(Cc3ccc(-c4ccccc4C#N)o3)CCN12 1875250671 VYBQMSWUYSQVSB-DOTOQJQBSA-N 337.423 2.723 30 50 EFEA CCC(CC)(C(=O)O)C(=O)NC1CCN(c2ccccc2C#N)CC1 902298932 UOZIEZBWMYZOQF-UHFFFAOYSA-N 343.427 2.534 30 50 EFEA Cc1ccc2c(c1)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)N2 4962915 JSQULMHBYJBPPC-UHFFFAOYSA-N 341.283 2.580 30 50 EFEA C=CC[C@H](CC)NC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 253430751 LJGGKHFFVBHTDV-INIZCTEOSA-N 345.443 2.564 30 50 EFEA O=C1[C@H]2[C@H]3C4(CC4)[C@H]([C@H]2C(=O)N1c1ccccc1)[C@]12O[C@]31[C@H]1C=C[C@H]2C1 257355528 BCAKWYYCESHKQZ-BMCXGXQWSA-N 345.398 2.546 30 50 EFEA C[C@](O)(CN1CCN(c2ccc(C#N)cc2Cl)CC1)C(F)(F)F 281327712 LQLNGMKXMVGWQC-AWEZNQCLSA-N 347.768 2.647 30 50 EFEA Cn1cc(CNc2nnc(CC3CC3)o2)c(-c2ccc(C#N)cc2)n1 195552743 LCDLVNUVXUHBLR-UHFFFAOYSA-N 334.383 2.906 30 50 EFEA C#Cc1cccc(NC(=O)C(=O)Nc2cc(F)c(OC)cc2F)c1 120588705 FEAVMMJRILUZCP-UHFFFAOYSA-N 330.290 2.532 30 50 EFEA Cc1cc(C)c(C#N)c(N2CC[C@]3(CCCN(C(C)C)C3=O)C2)n1 91433723 YZZJXASHURPZIE-LJQANCHMSA-N 326.444 2.797 30 50 EFEA O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccccc1Cl)[C@H]1C=C[C@H]2C12CC2 245226909 RWKOTIBHCJTIHZ-VEOYCTDQSA-N 326.783 2.871 30 50 EFEA Cn1ncc2c(B3OC(C)(C)C(C)(C)O3)cc(Br)cc21 675050780 XVNANRFLWFUVGX-UHFFFAOYSA-N 337.026 2.635 30 50 EFEA C[C@]1(c2cccnc2)NC(=O)N(Cc2ccc(Cl)cc2C#N)C1=O 185377149 LLOGSSGKRIXOGO-QGZVFWFLSA-N 340.770 2.574 30 50 EFEA O=C(c1ccccn1)[C@@H]1CCCN(Cc2ccc(C#CCO)cc2)C1 952975143 DGZCKKNRNCBKHS-LJQANCHMSA-N 334.419 2.520 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC 19314925 YSGYVCFASCFXQP-KRWDZBQOSA-N 327.380 2.836 30 50 EFEA COC(=O)c1cscc1N=C(O)N1CCC[C@H](OCC2CC2)C1 328587940 KECUUHUZELWCHZ-LBPRGKRZSA-N 338.429 2.971 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H](CC(=O)O)Cc2ccccc2F)N=N1 2325901103 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EFEA N#C[C@@H]1CN(C(=O)c2ccc3oc(O)nc3c2)C[C@H]1c1ccccc1 367850795 SLERIKJOOLFSTD-CABCVRRESA-N 333.347 2.913 30 50 EFEA COc1ccccc1[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)CCN1 374365747 PTCAZGLTDPEZEU-IBGZPJMESA-N 349.434 2.673 30 50 EFEA Cc1cnc(C(C)(C)NS(=O)(=O)Cc2cccc(C#N)c2)s1 175887169 GLDDRCDRHRKVCG-UHFFFAOYSA-N 335.454 2.678 30 50 EFEA Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccnc(C#N)c1 1875365383 PDTCPRXTLWKYNL-UHFFFAOYSA-N 332.363 2.889 30 50 EFEA COc1ccc(/C=N/Nc2ncc(Br)cn2)c(OC)c1 4595573 PSWWKGLSCDMPQX-UBKPWBPPSA-N 337.177 2.702 30 50 EFEA N#CC1(C#N)[C@H](c2ccncc2)O[C@@]23CCCCC[C@H]2[C@@]1(C#N)C(=N)O3 208159784 LTEPMQYWZQIEHW-STEAMIEHSA-N 347.378 2.981 30 50 EFEA C#CCCC1(CCC(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)N=N1 2325886392 VIKLASUHYDZBHN-MSOLQXFVSA-N 338.455 2.804 30 50 EFEA CNc1ccccc1C(=O)N=C(N)Nc1nc(C)c2cc(C)ccc2n1 1814224 GXQPJSXRGYLZTA-UHFFFAOYSA-N 348.410 2.855 30 50 EFEA C=CCn1nc(-c2ccc(N3CCCC3)cc2)nc1COC(C)=O 1875347642 ASFKAECKRKNRSB-UHFFFAOYSA-N 326.400 2.794 30 50 EFEA Cc1nnccc1N=C(O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 329596682 ITCYVLXPCMSWCA-OAHLLOKOSA-N 340.383 2.939 30 50 EFEA CC(C)(C)c1ccc(S(=O)(=O)N/N=C\c2ccc(O)cc2O)cc1 55498037 PDCXSJVTMZYFFO-WQRHYEAKSA-N 348.424 2.708 30 50 EFEA N#Cc1ccc(OC2CN(C(=O)c3cccc([C@@H]4CCOC4)c3)C2)cc1 363952193 ZJWMZGSQJDZJAI-GOSISDBHSA-N 348.402 2.966 30 50 EFEA N#C[C@H]1CSCCN1C(=O)Cc1coc(-c2ccc(F)c(F)c2)n1 366694642 KOECQEXGKZLUGB-LBPRGKRZSA-N 349.362 2.630 30 50 EFEA N#Cc1ccccc1CSCCNC(=O)N1CC[C@]2(CCOC2)C1 176436694 DVSXOBKJRSMCRI-SFHVURJKSA-N 345.468 2.613 30 50 EFEA C=C(C)C(C)(C)C(=O)NCc1cccc(-n2cc([C@H](C)O)nn2)c1 1875323591 MUYGYYMEWIODPE-ZDUSSCGKSA-N 328.416 2.539 30 50 EFEA C#CCOc1ccc(NC(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)cc1 195535627 FHNJETLKEHLXLI-NZEOALSQSA-N 348.468 2.900 30 50 EFEA CC(C)(C)OC(=O)Nc1ncc(F)cc1B1OC(C)(C)C(C)(C)O1 169969067 ZDMKDMKSPFFLNM-UHFFFAOYSA-N 338.188 2.867 30 50 EFEA C[C@@H]1CN(C(=O)COc2ccccc2C#N)c2ccccc2NC1=O 150757270 LZDUDMGCMWHZCI-CYBMUJFWSA-N 335.363 2.558 30 50 EFEA N#CCCN(C[C@@H]1CCOC1)C(=O)c1ccc2nc(S)oc2c1 121652607 PLHNUPSONGUPEZ-NSHDSACASA-N 331.397 2.509 30 50 EFEA N#Cc1cccc([C@H]2CN(C(=O)c3cc(F)c(O)c(F)c3)CCO2)c1 328587684 FDSFLUDAMVVGSK-MRXNPFEDSA-N 344.317 2.756 30 50 EFEA CC[C@@H](CNC(=O)C1(C#N)CCOCC1)Oc1ccccc1Cl 177372176 XTHINFJHYYZUNU-ZDUSSCGKSA-N 336.819 2.934 30 50 EFEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)CCS(=O)(=O)c1ccccc1 1616096776 KJSBBZHUALBEEM-HOTGVXAUSA-N 333.453 2.972 30 50 EFEA CC#CC(=O)N1CCC2(CC1)C[C@H]2C(=O)NCCC1=CCCCC1 11968882 ZVWFKCVDDTXMFS-KRWDZBQOSA-N 328.456 2.645 30 50 EFEA CSc1ncc(C#N)c(N2CCCN(Cc3ccccc3)CC2)n1 225537636 VHGGFQKPNCLTJI-UHFFFAOYSA-N 339.468 2.782 30 50 EFEA N#Cc1ccc(CCC(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)cc1 348251913 AGCWUFIJTRMGEO-MOPGFXCFSA-N 338.382 2.964 30 50 EFEA N#Cc1c(Cl)nsc1NCC1(N2CCCC2)CCOCC1 264218382 GSTQOQPONFMXJZ-UHFFFAOYSA-N 326.853 2.725 30 50 EFEA C#CCCC1(CCNC(=O)Cc2ccc(C(=O)O)cc2Cl)N=N1 2325901023 QPOYFPYYFLVYJL-UHFFFAOYSA-N 333.775 2.663 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)c2ccc(Cl)cc2)cc1OC 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2.514 30 50 EFEA Cc1nc(S(=O)(=O)NC2CCCCC2)c(C#N)c(C)c1Cl 118992 RLGUKGSBVIXJCK-UHFFFAOYSA-N 327.837 2.835 30 50 EFEA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2ccc(F)c(C#N)c2)C3)n1 888098817 VRTYFOURZNIUNU-KSSFIOAISA-N 340.358 2.583 30 50 EFEA Cc1cc(C)cc(OCC(=O)N2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 278527863 DPXYXWVRFDZRAO-ZWKOTPCHSA-N 341.455 2.519 30 50 EFEA CC(C)(C)OC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl 169936727 CMWOCEFRPBMXRD-UHFFFAOYSA-N 339.628 2.990 30 50 EFEA COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)NC(C)C 712331621 BQZOYUOPOGLQIX-UHFFFAOYSA-N 334.225 2.524 30 50 EFEA COc1cc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)ccc1O 8829237 APTMPCBBQGEFAP-GIJQJNRQSA-N 334.339 2.666 30 50 EFEA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1N=Cc1ccc(Cl)cc1)[C@@H]1C[C@@H]31 244795597 RJMHKOAACSZNAE-OJFNHCPVSA-N 326.783 2.727 30 50 EFEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H]1OCC(=O)[C@@]12O 253623586 PIVUIBWKOVQVES-CGHSHZOCSA-N 344.451 2.827 30 50 EFEA CC#CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 1875366133 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AMQSOTISXVMCLC-SFHVURJKSA-N 348.468 2.726 30 50 EFEA COC(=O)N1CCC[C@@H](C(=O)Nc2nc3ccccc3cc2C#N)C1 1875323113 XREYYKMIDDYUAE-CYBMUJFWSA-N 338.367 2.523 30 50 EFEA O=C1C=C/C(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 5021008 ZCHCDEZTEJGBNI-BMRADRMJSA-N 342.332 2.525 30 50 EFEA C[C@@H]1Cc2c(C#N)cccc2N1C(=O)c1ccc(Cn2cncn2)cc1 2325848825 SNYYBKZHXFDAMP-CQSZACIVSA-N 343.390 2.789 30 50 EFEA C#CCCC1(CCC(=O)Nc2ccc(N3CCC(N)CC3)cc2)N=N1 2325900678 FQBUDLCFBRVKAB-UHFFFAOYSA-N 339.443 2.908 30 50 EFEA N#CCC(=N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 153377 SKWFSNXNPZWFRB-UHFFFAOYSA-N 331.729 2.767 30 50 EFEA C=CCN(Cc1cccc(OC)c1)C(=O)CN(C)Cc1cccnc1 55357782 KFCNXUPQRPELLI-UHFFFAOYSA-N 339.439 2.737 30 50 EFEA CN(C)c1ncccc1O[C@@H]1CCN(/C(O)=N/Cc2ccsc2)C1 328631406 QVRXPTJBMWDPFH-CQSZACIVSA-N 346.456 2.776 30 50 EFEA COc1ccc(NC(=O)[C@H](C#N)C(=O)CC2CCCC2)cc1OC 130069692 QASYAEXJOYSHPU-CQSZACIVSA-N 330.384 2.931 30 50 EFEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCOc2ccccc2C#N)C1 888102693 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HZYBHZACRVDPKC-INIZCTEOSA-N 335.411 2.564 30 50 EFEA Cc1cc(CN2CC[C@@H](C3CC3)[C@@H]2c2nnc(O)n2C)ccc1C#N 1875399289 VCEFFPUJKNZUAW-DLBZAZTESA-N 337.427 2.674 30 50 EFEA COc1cc(/C=N/N2CCN(c3ccccc3OC)CC2)ccc1O 136615 BRNAGEXGPAEQKD-XSFVSMFZSA-N 341.411 2.566 30 50 EFEA CC1(C)OB(c2cccc(C(=O)NCc3ccccc3)c2)OC1(C)C 169746075 FIKRNCQRGXLNPR-UHFFFAOYSA-N 337.228 2.916 30 50 EFEA CC1=NN(Cc2ccccc2)C(=O)[C@H]1[C@H](c1ccncc1)C(C#N)C#N 100548106 MXVQLLCNOKPDHM-RTBURBONSA-N 343.390 2.863 30 50 EFEA C=CCc1cc(CNCC(=O)Nc2nccs2)ccc1OCC 65491884 UASVGHQFXZWVTM-UHFFFAOYSA-N 331.441 2.999 30 50 EFEA C=C(C)COc1ccccc1C(=O)N[C@@H](C(=O)O)c1c(C)n[nH]c1C 67983534 QYNNVKPXJBCUIM-MRXNPFEDSA-N 343.383 2.537 30 50 EFEA COc1cc(/C=N/N=C(N)N)ccc1OCc1ccccc1Cl 5101603 XYSDIGROKUHACN-AWQFTUOYSA-N 332.791 2.535 30 50 EFEA C=CCN1CC2(CCC1=O)CCN(Cc1ccc3c(c1)OCO3)CC2 91411677 QHWKKSNJJRPUPZ-UHFFFAOYSA-N 342.439 2.806 30 50 EFEA C=C[C@H]1CCN(C(=O)CCSc2nnc(-c3ccncc3)o2)C1 952960879 BMFORJNQNUCPOE-LBPRGKRZSA-N 330.413 2.648 30 50 EFEA CC(C)(C)OC(=O)N1CC[C@H](CN(CC#N)Cc2cccnc2)C1 888093317 FKFZYPJMBWSRMD-MRXNPFEDSA-N 330.432 2.664 30 50 EFEA Cc1nnc([C@H]2C[C@@H](O)CN2c2ccc(C(F)(F)F)cc2C#N)o1 1775957197 IKMNECHWYRRYJC-DGCLKSJQSA-N 338.289 2.581 30 50 EFEA COc1ccc(/C=N/n2c(S)nnc2-c2ccncc2)c(OC)c1 1260345 TWLMDAMPSZYVNH-VCHYOVAHSA-N 341.396 2.528 30 50 EFEA CC(C)(NC(=O)Nc1ccc(CC#N)cc1)C(=O)NCC1CCCC1 225851883 OEMIGHSUCOPTQU-UHFFFAOYSA-N 342.443 2.959 30 50 EFEA C=CCN(CC#Cc1ccccc1)C(=O)c1cccc(NCC(=O)O)c1 55387314 GACBSSMYKZRQLG-UHFFFAOYSA-N 348.402 2.863 30 50 EFEA CC(C)[C@@](C)(C#N)NC(=O)CN1CCO[C@@H](c2ccccc2Cl)C1 229575631 HROYYQABLBCGRG-SJLPKXTDSA-N 349.862 2.768 30 50 EFEA N#Cc1ccnc(NC[C@H]2CC[C@@H](c3n[nH]c(C4CC4)n3)O2)c1Cl 1775959136 IUSYOHJGGHISAB-NEPJUHHUSA-N 344.806 2.934 30 50 EFEA Cc1cc2c(cc1-c1c(C#N)c(N)nc3c1[C@@H]1CC[C@H](C3)N1)OCCO2 75999300 WVMQLPSRJHRQAS-RISCZKNCSA-N 348.406 2.631 30 50 EFEA CNC(=O)C(C)(C)CNC(=O)c1ccccc1-c1ccccc1C#N 154466334 QIBCPSZSRCUOLR-UHFFFAOYSA-N 335.407 2.727 30 50 EFEA COc1ccc2c(c1)CCC/C2=N\NS(=O)(=O)c1ccccc1 101000222 FUCGJFNMAHUWNL-ISLYRVAYSA-N 330.409 2.714 30 50 EFEA C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 55546829 JRCJDUASJNNGKC-UHFFFAOYSA-N 330.409 2.712 30 50 EFEA C=CCn1cnnc1S[C@H](C)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248376767 DOIQHLRWNUZHHZ-NIFZNCRKSA-N 334.489 2.886 30 50 EFEA CCn1cc(-c2c(C#N)c(N)nc3c2CN(C(C)C)CC3)cc1C#N 72135633 HTGQFZDIFIGPFT-UHFFFAOYSA-N 334.427 2.662 30 50 EFEA C[C@@H](C(=O)NC1CCCC1)N1CCC(C#N)(c2ccccc2)CC1 244595107 DOUFMEJELLFQHI-INIZCTEOSA-N 325.456 2.991 30 50 EFEA Cn1cc(CN2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)cc1C#N 685940505 CAJSYXFAFZMBMM-KXBFYZLASA-N 337.427 2.711 30 50 EFEA C[C@H](c1cccc(C#N)c1)N(C)C1CCN(CCn2cccn2)CC1 189873473 VBNSBHWTCBHYIT-QGZVFWFLSA-N 337.471 2.912 30 50 EFEA N#Cc1c(N)nc2c(c1-c1cccc(F)c1)c(=O)nc1sccn12 19874667 UARKHXUJFLRDHX-UHFFFAOYSA-N 337.339 2.564 30 50 EFEA C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(c1cnc(C#N)cn1)C2 705647168 OERFHQWSKMZSJU-PMACEKPBSA-N 333.439 2.697 30 50 EFEA C=CC[C@H](CC)NC(=O)N1CCc2c(nnn2-c2ccccc2)C1 366367118 XBSGZJLZYMDAMT-AWEZNQCLSA-N 325.416 2.690 30 50 EFEA C#CCCC1(CCC(=O)Nc2ccc(N3CCCC3=O)nc2)N=N1 2325899852 AUTODJKAGVOGAX-UHFFFAOYSA-N 325.372 2.503 30 50 EFEA CCN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O 20028805 JMAPLYWTURMZDC-UHFFFAOYSA-N 329.377 2.820 30 50 EFEA CC12C3[C@H]4C5/C(=N/Nc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])C([C@H]41)[C@@H]2[C@H]53 104280727 XMICSROKPRPLRR-GBCGGLIKSA-N 326.312 2.659 30 50 EFEA Cn1cc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)Cc2cccs2)cn1 328644655 RYFGURUILGACFK-KBPBESRZSA-N 336.436 2.593 30 50 EFEA CC(C)(C(=O)N1CCN(c2ccccc2C#N)C(=O)C1)c1ccccc1 82166658 QCFIPWADHNNEEP-UHFFFAOYSA-N 347.418 2.711 30 50 EFEA CCn1cc(CN2CC(=O)N(c3cccc(C)c3)C[C@@H]2C)cc1C#N 82091928 FCKKAHKVMIVCMW-INIZCTEOSA-N 336.439 2.925 30 50 EFEA N#CC1CCN(C(=O)NC[C@@H]2CCN(Cc3ccccc3F)C2)CC1 584887540 MSSMVEGZQIUJQL-INIZCTEOSA-N 344.434 2.593 30 50 EFEA C#CCCC1(CCC(=O)NCC(F)(F)c2n[nH]c3c2CCCC3)N=N1 1875381732 FZKVXDXDOKTZKM-UHFFFAOYSA-N 349.385 2.852 30 50 EFEA CN(Cc1cccc(C#N)c1)c1nc(O)c2cnn(C(C)(C)C)c2n1 263919550 SKBIVMKGHHMTHL-UHFFFAOYSA-N 336.399 2.795 30 50 EFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1F 61401 CXDPJJZZJYBCJT-AWEZNQCLSA-N 331.343 2.680 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2CCN(C(C)=O)c3ccccc32)N=N1 952881530 NNRLDYXFEGIDMM-INIZCTEOSA-N 338.411 2.956 30 50 EFEA C[C@H](CN1CCc2ccccc2C1)NCc1ccc(C#CCO)s1 952971753 MLSNNNPZKZHUBE-MRXNPFEDSA-N 340.492 2.628 30 50 EFEA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NCc2ccc(C#N)s2)nn1 276307209 LGGBICKMNHZXCK-LSDHHAIUSA-N 345.472 2.712 30 50 EFEA Cc1ccc(S(=O)(=O)N/N=C/c2cccc3cccnc23)cc1 442061 CCLNPAXIQNRJJD-XDHOZWIPSA-N 325.393 2.856 30 50 EFEA Cc1c(C#N)c(N2CCC(N3CCOC3=O)CC2)nc2ccccc12 853969913 WAZGHEQKQSGEDM-UHFFFAOYSA-N 336.395 2.836 30 50 EFEA Cc1ccccc1O[C@@H](C)C(=O)O/N=C(\N)c1cccc([N+](=O)[O-])c1 4832052 MQMQHIOKOFCQAY-LBPRGKRZSA-N 343.339 2.534 30 50 EFEA C=CCn1c(COC)nnc1SCc1nnc(-c2ccccc2)o1 4868993 XFTWYTRIJMDTHT-UHFFFAOYSA-N 343.412 2.953 30 50 EFEA CC(=O)N1CCC[C@H](C/N=C(/O)N(C)[C@@H](C)c2ccc(F)cc2)C1 331060662 NURFWMQDJZYHHE-DZGCQCFKSA-N 335.423 2.991 30 50 EFEA C=CCn1c(SCc2cc(CC)no2)nnc1C1CCNCC1 426582756 FSIWNTOKUUQSTL-UHFFFAOYSA-N 333.461 2.774 30 50 EFEA COc1ccc(OC)c([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)c1 1429745 IUJJZDHMHDHDOR-CQSZACIVSA-N 344.411 2.503 30 50 EFEA O=C(Nc1cccc2nonc12)C(F)(F)C(F)(F)C(F)(F)F 2278145 SLYPJSIHAFLKNQ-UHFFFAOYSA-N 331.147 2.994 30 50 EFEA Cc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1=C(C[C@H](C)CC1=O)N2 9060929 LXLIRACUCZYJRS-VOJFVSQTSA-N 337.427 2.921 30 50 EFEA N#Cc1ccc(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cn1 115712751 RPRGYWDTABKQEO-SFHVURJKSA-N 339.370 2.678 30 50 EFEA Cc1noc([C@H](Nc2snc(Cl)c2C#N)C2CCOCC2)n1 328609633 FIVIJNLRFOWOBG-SNVBAGLBSA-N 339.808 2.939 30 50 EFEA N#Cc1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccccn3)CC2)c1 253430458 JFOSYXOFDKOZPW-UHFFFAOYSA-N 337.383 2.938 30 50 EFEA O=S1(=O)CC[C@H](/C(O)=N/[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)C1 330061249 NZHWFWRHPGJYSW-WCFLWFBJSA-N 345.367 2.535 30 50 EFEA CCO[C@@H]1C[C@H](N(C)CC(=O)Nc2sccc2C#N)C12CCC2 153967613 LVFDASMFJPCCAR-UONOGXRCSA-N 333.457 2.838 30 50 EFEA CCc1nnc2n1C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)CC2 363109837 FDIWABCLPAWMRW-SNVBAGLBSA-N 336.321 2.553 30 50 EFEA Cc1cc(C)c(C#N)c(N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)n1 91793130 AZCBORMIUYCKQV-FQEVSTJZSA-N 338.455 2.799 30 50 EFEA CC(C)(NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(F)(F)F 297825744 MHRJZXLFEYPSBP-NSHDSACASA-N 343.324 2.981 30 50 EFEA CCOc1ccccc1/C=N/n1c(S)nnc1-c1cccnc1 1305069 DBIMIELSLDWJLB-WOJGMQOQSA-N 325.397 2.910 30 50 EFEA COC(=O)c1cnc(N(C(=O)c2ccc(F)c(C#N)c2)C2CC2)s1 241720856 QSWAVEMAWLTQAT-UHFFFAOYSA-N 345.355 2.750 30 50 EFEA Cc1sc(NC(=O)COCC(=O)O)c(C#N)c1-c1ccccc1 17067678 DTQQPLUYAWVBSU-UHFFFAOYSA-N 330.365 2.635 30 50 EFEA N#C[C@@H](C(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1 95351594 FJUSMEHWDPJRAK-HXUWFJFHSA-N 333.435 2.681 30 50 EFEA COc1ccc(O[C@@H](C)C(=O)O/N=C(\N)c2ccc(Cl)cc2)cc1 5059635 LFCNVPOBWIIXMJ-NSHDSACASA-N 348.786 2.980 30 50 EFEA COc1ccc(C[C@@H]2S/C(=N\N=C\c3cccs3)NC2=O)cc1 4075931 JCBUCMHNESYHIN-FBJMNJBLSA-N 345.449 2.921 30 50 EFEA CC(C)(C)OC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)cnc1F 169969321 WDSXXXQAKHAZAY-UHFFFAOYSA-N 338.188 2.867 30 50 EFEA CN(C)c1ncccc1O[C@H]1CCN(c2ccc(Cl)c(C#N)n2)C1 241435132 NKWPHEBXXWNQFB-LBPRGKRZSA-N 343.818 2.725 30 50 EFEA N#CCC1(COC(=O)c2c(Br)nc3n2CCCC3)CC1 838808534 DLZZQGDJSQQDRT-UHFFFAOYSA-N 338.205 2.833 30 50 EFEA C=CCOc1ccc(Oc2nc(NC(C)C)nc(NC(C)C)n2)nn1 4844876 SPAFHSSXIJAUOA-UHFFFAOYSA-N 345.407 2.659 30 50 EFEA CCc1n[nH]c(SCC(=O)N(CC#Cc2ccccc2)C2CC2)n1 55284860 JCLRLPAZMRZCGX-UHFFFAOYSA-N 340.452 2.502 30 50 EFEA Cc1ccnc(NC[C@@H]2CCN(c3nc4ccccn4c3C#N)C2)c1 364690730 MXUVESISBZUUIC-HNNXBMFYSA-N 332.411 2.848 30 50 EFEA C[C@]12CC[C@@H]3[C@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO 254793297 NCYJPPVFCXZXCE-XRWXYCCSSA-N 346.467 2.667 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H]2CCN(C(C)=O)c3ccccc32)N=N1 952881531 NNRLDYXFEGIDMM-MRXNPFEDSA-N 338.411 2.956 30 50 EFEA 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2.966 30 50 EFEA N/C(=N\OC(=O)CCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 18161712 BKBFETIXABNDLS-UHFFFAOYSA-N 327.340 2.781 30 50 EFEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(c2noc(C)n2)C1 1875240646 DDHPVHNYVGPQBG-CQSZACIVSA-N 328.372 2.554 30 50 EFEA CSc1nc(O)nc(C)c1C(=O)N[C@@H](C)c1ccc(C#N)cc1 266990771 VFIUBFDTDPDCRD-VIFPVBQESA-N 328.397 2.575 30 50 EFEA O=S(=O)([C@@H]1C[C@H]2CC[C@@H]1[C@@H]1O[C@@H]12)N1CCC[C@H]1c1ccccc1 2325891737 ARGZMAVCGAAZIX-YRDXOGEASA-N 333.453 2.719 30 50 EFEA COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 36714 HPGUVJXGSOQLHH-CYBMUJFWSA-N 333.409 2.848 30 50 EFEA C=CCn1c(=O)c(-c2nc3ccccc3c(=O)[nH]2)c(O)c2ccccc21 100329695 YLMDZFICPMGTGE-UHFFFAOYSA-N 345.358 2.797 30 50 EFEA COC(=O)c1ccc(-c2cc(-c3[nH]cnc3C)c(C#N)c(N)n2)cc1 71747458 FFJYVHASZLCZBE-UHFFFAOYSA-N 333.351 2.688 30 50 EFEA CCCCn1c(=O)c(=O)n(Cc2cccc(C#N)c2)c2ccccc21 40545138 SHDYLONONBWOET-UHFFFAOYSA-N 333.391 2.883 30 50 EFEA C=CC[C@H]1N(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)CCCC1(C)C 332889162 SPYWGMAXBBVCEV-LSDHHAIUSA-N 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Cc1ccccc1C[C@@H](C)N(C)Cc1cc(O)n2ncc(C#N)c2n1 2325771649 CMSWYUFAMPMRTR-CQSZACIVSA-N 335.411 2.678 30 50 EFEA N#Cc1ccc(CN2C[C@H](O)Cc3cc(Br)ccc32)o1 2325821138 IJRWVIGJHCQORZ-GFCCVEGCSA-N 333.185 2.837 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)N=N1 2325886425 WXLHCJUPBNPPLQ-HZPDHXFCSA-N 327.432 2.603 30 50 EFEA CC[C@@H](CO)N(Cc1cccnc1)C(=O)c1cc(F)cc(C#N)c1 55166054 LIVGVNHSZHFMCF-KRWDZBQOSA-N 327.359 2.506 30 50 EFEA CO[C@@H]1[C@H]2C[C@@H]3CN(/C(O)=N/C[C@H](C)c4nc(C)cs4)[C@H]1[C@H]3C2 329249817 AVHGDYZIYXRGNW-ILHQOTHWSA-N 335.473 2.824 30 50 EFEA CC(C)[C@@H](/N=C(/O)NC1C2CC3CC(C2)CC1C3)c1nncn1C 329415801 CXVXXTCGNIPCJG-BAPHQMLMSA-N 331.464 2.841 30 50 EFEA COc1ccc(OCC/N=C(/O)N2CC(O)=N[C@@H]3CCCC[C@H]32)cc1 330205813 CSHBLKKODUWYSM-HZPDHXFCSA-N 347.415 2.571 30 50 EFEA CCOC1CC(CNc2cc(Cl)ccc2C#N)(N2CCOCC2)C1 241439931 NNNHUGDNSUEOCC-UHFFFAOYSA-N 349.862 2.893 30 50 EFEA CCc1ncc(-c2cc(-c3cccc(C(=O)O)c3)nc(N)c2C#N)cn1 71749514 BVNPDTHYRIGIQU-UHFFFAOYSA-N 345.362 2.920 30 50 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Cc1cncc(N=C(O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)c1 328626888 MDTFENIPPKEXAQ-CYBMUJFWSA-N 331.376 2.515 30 50 EFEA CCN(CC)Cc1cnc2c(C(=O)Nc3cccc(C#N)c3)cnn2c1 67956244 QVDZFEMEYRXETO-UHFFFAOYSA-N 348.410 2.695 30 50 EFEA Cc1cc(C)n(CC(=O)Nc2ccccc2OC(F)F)c(=O)c1C#N 223245107 CVLGUELQZIMEOV-UHFFFAOYSA-N 347.321 2.577 30 50 EFEA C=C[C@H](CC(=O)N1CCC[C@]2(CC(C(=O)O)=NO2)C1)c1ccccc1 1775993603 SERPAMAKSZWUIS-KUHUBIRLSA-N 342.395 2.568 30 50 EFEA Cc1cc(N[C@H]2CCOC[C@@H]2OCc2cscn2)nc(C)c1C#N 1565529502 KKPPNUCPTGTOND-HOTGVXAUSA-N 344.440 2.813 30 50 EFEA C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21OCC1=O 17377713 KVTUNQQLGNXYMG-MKIDGPAKSA-N 344.451 2.827 30 50 EFEA C[C@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1n1ccnc1 110700323 XJQOULNWLMJKNW-WMLDXEAASA-N 348.410 2.888 30 50 EFEA Cc1ccccc1O[C@H](C)C(=O)N1CCN([C@@H]2CC[C@H](C#N)C2)CC1 331960484 QKGUIHCNAWMAMO-FGTMMUONSA-N 341.455 2.599 30 50 EFEA CC(O)=Nc1ccc(OC(=O)c2ccc3nnc(S)n3c2)cc1 328590001 UHGFQGDXPKSJTH-UHFFFAOYSA-N 328.353 2.845 30 50 EFEA Cc1[nH]c(C#N)cc1C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 450371076 DNLLGORGBNOHKJ-UHFFFAOYSA-N 349.390 2.896 30 50 EFEA CC[C@@H](CC#N)NC(=O)CSc1nccn1Cc1ccccc1 864057469 MRBKRUOKPLYRPX-HNNXBMFYSA-N 328.441 2.832 30 50 EFEA CC(=O)N1CCC[C@H](CNc2cc(Br)ccc2C#N)C1 1458354241 GHQKZOCFBVXUJY-GFCCVEGCSA-N 336.233 2.991 30 50 EFEA C=CCc1cc(C(=O)NC2(c3ncon3)CCC2)cc(OC)c1OC 952995209 DRXRPUAZPNPLMR-UHFFFAOYSA-N 343.383 2.625 30 50 EFEA C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(C#N)cc1 1775993921 OMHRZYLLQVECNM-CKEIUWERSA-N 348.468 2.556 30 50 EFEA N#Cc1cnc(NCC[C@@H]2CCCCN2Cc2ccccc2)nc1N 1506409047 OEIFMQXDLFLVIJ-KRWDZBQOSA-N 336.443 2.787 30 50 EFEA COc1ccc(Cl)cc1C(=O)O/N=C(\N)c1ccc([N+](=O)[O-])cc1 4993752 KIFAIRPZNRZWIV-UHFFFAOYSA-N 349.730 2.734 30 50 EFEA N#Cc1cc(F)c(NCC2(CO)CCOCC2)cc1Br 408516822 LTPJZWPZWSGZLT-UHFFFAOYSA-N 343.196 2.661 30 50 EFEA O=C(C[n+]1ccc(C(=O)NCc2ccccc2)cc1)c1ccc(F)cc1 1835919 XUYZMYGUXNCQED-UHFFFAOYSA-O 349.385 2.926 30 50 EFEA CCCc1cc(NCCOCCO)n2c(nc3ccccc32)c1C#N 4074933 JYVVZMATLGYPMB-UHFFFAOYSA-N 338.411 2.732 30 50 EFEA C=CCOc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1OCC 55195964 YVICVJFEYQGCCZ-MRXNPFEDSA-N 330.428 2.570 30 50 EFEA CC(C)Oc1cncc(/C(O)=N/C2CCN(c3nccn3C)CC2)c1 328740628 IMSPSZPADFKQKN-UHFFFAOYSA-N 343.431 2.576 30 50 EFEA N#Cc1ccc(F)c(CNC(=O)N2CCC(Cn3cccn3)CC2)c1 174023063 PRXURVJGFDTLBO-UHFFFAOYSA-N 341.390 2.516 30 50 EFEA CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H](COc2ccccc2)O1 284888078 GXRHJGOTLBJTQE-KRWDZBQOSA-N 339.395 2.585 30 50 EFEA CN1[C@H]2CC[C@@H]1CCN(C(=O)c1ccc(-c3ccc(C#N)nc3)cc1)C2 1565511007 INHPZKWYHBQKNT-UXHICEINSA-N 346.434 2.929 30 50 EFEA N#Cc1cccc(C(=O)NCCN2CCCCC2)c1Br 408519335 AROMWSUADICVHJ-UHFFFAOYSA-N 336.233 2.536 30 50 EFEA CC(C)(O)C#Cc1ccc(C(=O)NCc2cc(-c3ccco3)on2)o1 1506399842 QTLQMMPLRTXUHE-UHFFFAOYSA-N 340.335 2.580 30 50 EFEA O=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 3028989 OWCFVQYLAVBFMP-UHFFFAOYSA-N 347.350 2.996 30 50 EFEA CC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2[C@@H]1c1ccccc1 5020231 IHCZTDPUIHKHDW-GFCCVEGCSA-N 327.409 2.850 30 50 EFEA Cc1cc(Br)c2c(c1)/C(=N/Nc1ccccn1)C(=O)N2C 4982550 JZPCUULVKKSAFP-UYRXBGFRSA-N 345.200 2.945 30 50 EFEA C=C1C[C@@H]1CNC(=O)[C@H](COC1CCCC1)NC(=O)OC(C)(C)C 2325792623 ZEBGUIRVQBRUEE-HIFRSBDPSA-N 338.448 2.531 30 50 EFEA C#CCCC1(CCC(=O)NC[C@@H](Cc2ccc(F)cc2)C(=O)O)N=N1 2325901152 VXBOISMWSCVYMZ-CQSZACIVSA-N 345.374 2.541 30 50 EFEA Cn1cc(CN[C@H]2CCO[C@@H]2c2nccn2-c2ccccc2)cc1C#N 343407143 WESGHABTVZXAOX-OALUTQOASA-N 347.422 2.702 30 50 EFEA C=CCN(Cc1ccccn1)C(=O)CCNC(=O)c1ccccc1F 55327808 XNIBTQGMSTVPCJ-UHFFFAOYSA-N 341.386 2.555 30 50 EFEA COc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)cc1OC 22608045 YWXXGGKFIJNBAA-DYZYQPBXSA-N 340.383 2.563 30 50 EFEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)Cn2nc(C)cc2C)cn1 328638807 WMCSNTJLUIGIBI-DOTOQJQBSA-N 331.420 2.593 30 50 EFEA N/C(=N/OCc1ccc(-n2cccn2)cc1)c1ccc2c(c1)CCO2 158143786 RKJDCMBBVQGQFS-UHFFFAOYSA-N 334.379 2.644 30 50 EFEA N#CC1(c2ccc(C(=O)N3CC[C@@H](Oc4cccnc4)C3)cc2)CC1 181563202 FKHVVKSQLRONJS-GOSISDBHSA-N 333.391 2.930 30 50 EFEA C#CCCC1(CCNC(=O)[C@@H]2C[C@H]2c2nn(C)c3ccccc23)N=N1 1875381208 NPHIPFVSXULONT-HUUCEWRRSA-N 335.411 2.759 30 50 EFEA Cn1cnc(C#N)c1CN[C@@H]1CN(Cc2ccccc2)C2(CCC2)C1 1875404433 IRJGKUKHFMFOFW-KRWDZBQOSA-N 335.455 2.579 30 50 EFEA C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@H]1C 278855790 QUDJAATXKDILND-NXEZZACHSA-N 343.246 2.597 30 50 EFEA N#Cc1ccc(N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)nc1 72172651 BKSUFDWQJWLGQH-HXUWFJFHSA-N 347.466 2.744 30 50 EFEA O=[S@]1CC[C@@H](N/C(O)=N/CC2(Cc3ccccc3)CCCC2)C1 329246211 AOHWOBVFBKYMAH-MWTRTKDXSA-N 334.485 2.814 30 50 EFEA O=P1(c2ccccc2)CO[B-](c2ccccc2)(c2ccccc2)OC1 195761090 NXJWKXFDKHOPQH-UHFFFAOYSA-N 349.155 2.893 30 50 EFEA Cn1cc(CN2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)cc1C#N 952890813 JGNWHSBGCFVFBL-SJORKVTESA-N 336.443 2.518 30 50 EFEA N#Cc1ccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccn2)cc1 216605286 LBRLPRWPCAFUKS-QUCCMNQESA-N 346.434 2.576 30 50 EFEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/N=C(/O)c1cc(C(C)C)on1 328614636 WLHNINRBECJWOE-LRDDRELGSA-N 332.404 2.983 30 50 EFEA O=C(NCC/N=C(/O)[C@@H]1CCCN1C1CCCC1)c1cccs1 328825600 RXPYFENLVPCRIG-AWEZNQCLSA-N 335.473 2.841 30 50 EFEA O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@@H]1CO1 1875373077 SXYDGBDQJSISFU-UONOGXRCSA-N 329.318 2.688 30 50 EFEA CO[C@@H]1[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1(C)C 170591829 JMBCIDVLICXACS-CUOATXAZSA-N 342.848 2.549 30 50 EFEA C=CCNC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 5015973 JGSJHTCFDJUQMA-NSHDSACASA-N 330.331 2.811 30 50 EFEA C=CCOc1c(Br)cc(CNC[C@@H](C)O)cc1OCC 2178123 YHBPFTMNBAIVOK-LLVKDONJSA-N 344.249 2.883 30 50 EFEA N#Cc1nc(-c2ccccc2Cl)oc1NCCN1CCOCC1 20150079 ZLIGRXUFALKOMF-UHFFFAOYSA-N 332.791 2.611 30 50 EFEA Cc1nn(CCN2CCC(C#N)CC2)cc1CNCc1ccccc1 65409855 MNKLFONXJYWOOB-UHFFFAOYSA-N 337.471 2.717 30 50 EFEA N#Cc1ccc(N2CCN(c3nccc4ccc(F)cc34)CC2)nc1 354561582 NDVRBXJBBVNDNU-UHFFFAOYSA-N 333.370 2.967 30 50 EFEA CC(=O)C1=C(O)[C@@H]2[C@@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O 12405148 SZINUGQCTHLQAZ-JLZZUVOBSA-N 336.391 2.828 30 50 EFEA biogenic,in-vitro N#C[C@@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CCN1C1CC1 370969175 PVBHIHGMMQBDGV-QGZVFWFLSA-N 336.439 2.689 30 50 EFEA Cc1c([C@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1C1CCNCC1 71712018 DZDGEJHFIZEHMJ-AWEZNQCLSA-N 328.460 2.984 30 50 EFEA C=CC[C@]1(C(=O)O)CCCN(Cc2c(CC)nn(C)c2Cl)C1 91535615 SDJDPEQDNWHTGB-INIZCTEOSA-N 325.840 2.879 30 50 EFEA C=CCn1cc(CN2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)cn1 92020763 BQNZNZCIBVEPCU-FQEVSTJZSA-N 342.487 2.826 30 50 EFEA Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 253396261 MWEMXCPTSIFYQE-BRWVUGGUSA-N 348.468 2.571 30 50 EFEA COc1ccc([C@H]2NC(=N)N/C(=N\c3ccc(Cl)cc3)N2)cc1 3077723 RFBGTHIOWPRFRD-AWEZNQCLSA-N 329.791 2.752 30 50 EFEA C=CCNC(=O)[C@H]1CC(=O)c2sc(NC(=O)C[C@H](C)CC)nc2C1 14987821 ZPWQSAMLONNIBB-GHMZBOCLSA-N 349.456 2.565 30 50 EFEA CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc(OC)c(C#N)c2)cn1 328628424 HFLXZPQCPBVWMG-PKOBYXMFSA-N 340.427 2.793 30 50 EFEA COc1ccc(CC(=O)ONC(=O)c2ccc(Cl)cc2)cc1OC 204668 UEGMJGJWWQEZKA-UHFFFAOYSA-N 349.770 2.788 30 50 EFEA CC(C)N(CC#CCC1(O)c2ccccc2-c2ccccc21)CCO 2469755 PNRHKDLOMHYRIW-UHFFFAOYSA-N 335.447 2.999 30 50 EFEA COc1cc(Cl)c(OC)c(N/C(N)=N\c2nc(C)cc(C)n2)c1 66324831 JQPWILQMTWJJBR-UHFFFAOYSA-N 335.795 2.822 30 50 EFEA C#CCN1CCCC[C@@H]1C(=O)N[C@H]1CCOc2c(Cl)cccc21 230199675 UPFLZIQEQFOMPS-JKSUJKDBSA-N 332.831 2.768 30 50 EFEA CCN1CCC[C@H](/N=C(/O)[C@H]2CC(=O)N(c3ccccc3F)C2)C1 328917223 RQZOEJWDBMVSQZ-KBPBESRZSA-N 333.407 2.619 30 50 EFEA N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2cnccn2)cc1 152290702 RNEUBQPELKRYHQ-QGZVFWFLSA-N 348.406 2.915 30 50 EFEA Cc1ccc2c(c1)[C@@H](NC(=O)N1CC(Oc3ccc(C#N)cc3)C1)CO2 153598517 IPNQTLGUIDPLBN-SFHVURJKSA-N 349.390 2.773 30 50 EFEA CN(C)c1cc(C#N)cc(C(=O)N2CCC(N3CCCCC3)CC2)c1 292489028 BCWZKYWZEBCDQZ-UHFFFAOYSA-N 340.471 2.715 30 50 EFEA CNS(=O)(=O)c1cc(/C(N)=N/c2c(C)cccc2C)ccc1C 96027837 QHLXZDMPOFMLDZ-UHFFFAOYSA-N 331.441 2.557 30 50 EFEA CC(C)(C)c1ccc(C#N)c(NC[C@H](C(=O)O)C2CCOCC2)n1 863736267 PCEOKZWUFAYJOQ-AWEZNQCLSA-N 331.416 2.790 30 50 EFEA C=CCNC(=O)CN(Cc1cccc(OC)c1OC)C1CCCC1 1506407821 YXPRXMZYBFKUBL-UHFFFAOYSA-N 332.444 2.751 30 50 EFEA C=CCNC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 12024332 JOOKUHPNGYYMFJ-IBGZPJMESA-N 333.476 2.777 30 50 EFEA Cc1sc(NC(=O)c2nn(C)c(=O)c3ccccc23)c(C#N)c1C 12795230 LMYVJLGPNXZIAZ-UHFFFAOYSA-N 338.392 2.736 30 50 EFEA C#CCCC1(CCC(=O)N2CCC3(CCCC3)C[C@@H]2C(=O)O)N=N1 2325900641 CWCKBCHYPQLILB-CQSZACIVSA-N 331.416 2.978 30 50 EFEA CC(C)c1cc(-c2cc(Cl)ccc2OCC(N)=O)c(C#N)c(N)n1 71498238 ADGKWJFLSYEFGT-UHFFFAOYSA-N 344.802 2.843 30 50 EFEA CCO[C@H]1C[C@@H](NCCOc2cccc(C#N)c2)C12CCOCC2 286291534 VCSLWVKWUPABDR-MSOLQXFVSA-N 330.428 2.501 30 50 EFEA Cc1ccc(C(=Nc2nc[nH]n2)C2C(=O)c3ccccc3C2=O)cc1 245239851 FVHOHZVQBWBGOQ-UHFFFAOYSA-N 330.347 2.929 30 50 EFEA Cc1cc(C#N)ccc1CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 185984929 DGNVKZZUMXHICC-FQEVSTJZSA-N 347.374 2.597 30 50 EFEA COc1ccc(/C=N/n2c(S)nnc2-c2ccncc2)cc1OC 1248363 JTWNSMROKKQNKF-VCHYOVAHSA-N 341.396 2.528 30 50 EFEA CCN[P+](CNC(=O)c1ccc(Cl)cc1)(NCC)NCC 5591718 SEZPWSKRGHFJNN-UHFFFAOYSA-O 331.808 2.618 30 50 EFEA CC1(C)OB(c2ccc(CN3CCC(C#N)CC3)cc2)OC1(C)C 204755242 RKSRYKKUHKMUPS-UHFFFAOYSA-N 326.249 2.721 30 50 EFEA CCOC(=O)/C(=C\NC1CC1)C(=O)c1cc(F)c(F)cc1Cl 197657 UUQBPARIUBTUKI-YFHOEESVSA-N 329.730 3.000 30 50 EFEA CCCn1c(N)[n+](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 3121453 YRFZXRKKPKDGBR-UHFFFAOYSA-O 339.375 2.712 30 50 EFEA C[C@H]1CN(C(O)=Nc2ccccc2OC(F)F)C[C@]2(CCOC2)O1 328587645 DRXYTVOACZAYAF-ZBEGNZNMSA-N 342.342 2.713 30 50 EFEA OCCN1CCCC[C@H]1C/N=C(/O)c1cc(F)c(Cl)cc1F 331291565 BKWIGFYIBTZJFH-JTQLQIEISA-N 332.778 2.770 30 50 EFEA N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)cn1 245382568 KDLHSFAGRFJHNE-QBYUYEEZSA-N 345.468 2.933 30 50 EFEA N#CC1(NC(=O)CN2CCC(F)(c3ccccn3)CC2)CCCCC1 289345229 MHSQJQXRUXZKMB-UHFFFAOYSA-N 344.434 2.685 30 50 EFEA C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C(=O)CO)CC[C@]12O 254478533 XKCAPZYNIKDWOX-IPTGWOMKSA-N 346.467 2.811 30 50 EFEA COc1ccc(CNC(=O)N2CC[C@@H](c3nccs3)C2)cc1C#N 883526204 GWSSYWLRAQTLET-CYBMUJFWSA-N 342.424 2.722 30 50 EFEA NC(=O)c1coc(-c2cs/c(=N\C3CC3)n2N=C2CCCC2)c1 170620492 LTFAWJZBWSKIGL-VLGSPTGOSA-N 330.413 2.750 30 50 EFEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)N3CCC(C)CC3)o2)cc1 1857799587 MOSYYHJDULYQDP-UHFFFAOYSA-N 345.424 2.942 30 50 EFEA N#Cc1cccc(-n2cc(-c3ccc(Br)cn3)nn2)c1 2325818214 LTLDTWVCZOKDEZ-UHFFFAOYSA-N 326.157 2.963 30 50 EFEA C#CCCC1(CCNC(=O)[C@](O)(c2ccccc2)C(F)(F)F)N=N1 2325891722 YAJASWAKDHSWDH-OAHLLOKOSA-N 339.317 2.518 30 50 EFEA COc1ccc(-c2nc(C#N)c(N3C[C@@H](C)O[C@H](C)C3)o2)cc1OC 1050006 MWKWQUQBXJUSTE-VXGBXAGGSA-N 343.383 2.844 30 50 EFEA C=CCN(CC=C)C(=O)c1cccc(Nc2ncnc3c2cnn3C)c1 20860581 MXDZDDYPBIQQBE-UHFFFAOYSA-N 348.410 2.921 30 50 EFEA CCn1ccnc1[C@@H](NC(=O)c1ccc(C#N)cc1)C1CCOCC1 286767291 IKMFCSFFYLXQPT-KRWDZBQOSA-N 338.411 2.672 30 50 EFEA Cc1ccc(C(=O)N[C@@H](C#N)C2CCCCC2)cc1S(C)(=O)=O 176574843 HFMFERJNAQVDPC-HNNXBMFYSA-N 334.441 2.601 30 50 EFEA CCc1ccccc1C(=O)N1CCN(c2ccc(C#N)cc2)C(=O)C1 82107302 KOWPWWSUDHENPV-UHFFFAOYSA-N 333.391 2.610 30 50 EFEA N#Cc1ccc(CN2CC[C@H](Nc3nc4ccccc4o3)C2=O)cc1 192248119 RXQPGMAWQWESHC-INIZCTEOSA-N 332.363 2.912 30 50 EFEA CC1(C)OB(c2ccc(I)cc2F)OC1(C)C 169983784 HZPYYKYWFLEWSK-UHFFFAOYSA-N 347.964 2.730 30 50 EFEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(O)=Nc1ccc(F)cn1 328633307 SKYDLORNTATDJZ-YOEHRIQHSA-N 343.406 2.786 30 50 EFEA C[C@@]1(C2CCCC2)NC(=O)N(CCCC2(C#N)CCOCC2)C1=O 374522803 RKTDVCFNNDGXBG-KRWDZBQOSA-N 333.432 2.588 30 50 EFEA CSc1nnc(CCCNc2cccc(C#N)n2)n1CC(C)C 170692569 QMVJERMQNBHSAJ-UHFFFAOYSA-N 330.461 2.967 30 50 EFEA C=CCN1CCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC)CCCC2 55254840 FDRCFYAYQJXQRS-CYBMUJFWSA-N 347.484 2.575 30 50 EFEA OC1=Nc2ccc(/C(O)=N/[C@@H]3CCC(O)=N[C@H]3C3CC3)cc2OC1 328903491 HYNGBUKMDUPSAP-WBMJQRKESA-N 329.356 2.869 30 50 EFEA C#CC[C@H]1CCN(C(=O)c2nc(-c3ccccc3)n3c2COCC3)C1 1875272528 SEXCADXLDBAEHC-HNNXBMFYSA-N 335.407 2.566 30 50 EFEA C#CCCC1(CCNC(=O)c2cnn(-c3nc(CC)cs3)c2)N=N1 1875381548 YLOXUCSQGVPSIA-UHFFFAOYSA-N 342.428 2.587 30 50 EFEA C=C(C)CN(C)c1ccc(C(=O)NCC[C@@H]2CCCCN2C)cn1 11956703 ZFZZEYARURHIHH-KRWDZBQOSA-N 330.476 2.698 30 50 EFEA CC1(C)OB(c2ccc(OCCN3CCCCC3)cc2)OC1(C)C 169810330 JKCDXXAFGMZLQJ-UHFFFAOYSA-N 331.265 2.851 30 50 EFEA COCC[C@H](CO)/N=C(/O)Nc1ncc(-c2ccccc2C)s1 328600181 WLWMFNBAGOXZCR-GFCCVEGCSA-N 335.429 2.842 30 50 EFEA C#CCCC1(CCNC(=O)C[C@H]2CC[C@H](C(F)(F)F)N(C)C2)N=N1 2325900127 LXJVGULZSIAHST-CHWSQXEVSA-N 344.381 2.731 30 50 EFEA CN(C[C@@H]1C[C@H](F)CN1c1cccnn1)C(O)=Nc1ccsc1 328625321 CZMAQGFBDFJAPG-AAEUAGOBSA-N 335.408 2.632 30 50 EFEA N#Cc1cc(S(=O)(=O)N2CC[C@@H](Oc3ccccc3)C2)ccc1F 374224046 PVWCPSRKOWMBTA-OAHLLOKOSA-N 346.383 2.539 30 50 EFEA CC(C)(C)CN1CCC[C@@]2(CCN(c3ncccc3C#N)C2)C1=O 426374451 YKZDLPBOKSBXTM-IBGZPJMESA-N 326.444 2.818 30 50 EFEA C=CCn1c(CN2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)nc2ccccc21 299780980 CQMWOVXMEMMJHB-MOXGXCLJSA-N 341.455 2.727 30 50 EFEA C[C@@H]1c2ccccc2CN1/C(O)=N/C1CCN(c2cccnn2)CC1 330265342 ZCQQRJGJPOOKJX-CQSZACIVSA-N 337.427 2.936 30 50 EFEA N#Cc1cccc2c1CC[C@H]2NC(=O)c1ccc2c(c1)COCCN2 2325799421 WZOLSXMJZNIEFY-LJQANCHMSA-N 333.391 2.918 30 50 EFEA CCCn1cc(-c2cc(-c3cnc(OC)nc3)c(C#N)c(N)n2)c(C)n1 71745379 WYZBQCHRHPTWEW-UHFFFAOYSA-N 349.398 2.583 30 50 EFEA O=C(CC1=C(c2ccccc2)CCC1=O)NCc1ccc(C(=O)O)o1 218679687 WCNSAWPXEBTEHX-UHFFFAOYSA-N 339.347 2.801 30 50 EFEA COc1ccc(N/N=C(C)/C(=N/O)C(=O)Nc2ccccc2)cc1 20385818 BPGGDJJSBCFUIK-VUSHSRTPSA-N 326.356 2.952 30 50 EFEA C=CCc1cc(C(=O)N2CCC3(CC2)OCCC[C@@H]3O)ccc1OC 91808440 NTKFGUIFWXUQMQ-SFHVURJKSA-N 345.439 2.570 30 50 EFEA C#CCCC1(CCC(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)N=N1 1875382274 WWRRBKLUYXMMFN-UHFFFAOYSA-N 349.398 2.969 30 50 EFEA N#CCC[C@@H](C#N)CN1CCN(c2ccc(C#N)cc2Cl)CC1 277863676 UIIJCIGZRUYMCG-HNNXBMFYSA-N 327.819 2.777 30 50 EFEA CN(C)c1ncccc1O[C@@H]1CCN(c2ccc(Cl)c(C#N)n2)C1 241435131 NKWPHEBXXWNQFB-GFCCVEGCSA-N 343.818 2.725 30 50 EFEA CC(C)c1nc([C@@H]2CN(c3ncc(C#N)cc3Cl)CCO2)no1 361831587 SAOHYBWZWULFAD-LBPRGKRZSA-N 333.779 2.691 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2C[C@H]3CC[C@H]2C[C@]3(C)C(=O)O)N=N1 2325900894 MYVFHRHLYUXWQN-LOUJCGABSA-N 331.416 2.738 30 50 EFEA CC1(C)CC(=O)C([C@H](c2cccnc2)[C@@H](C#N)C(N)=S)=C(O)C1 406180 SPHUESUBWCXKME-BXUZGUMPSA-N 329.425 2.792 30 50 EFEA CCOc1cc(/C=N/O)ccc1OS(=O)(=O)c1ccc(C)cc1 2990846 HGDFCODWMVUDAB-GZTJUZNOSA-N 335.381 2.970 30 50 EFEA C#CCNC(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 3133288 OELWCIWAXWKJQI-UHFFFAOYSA-N 327.693 2.908 30 50 EFEA Cc1nn([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1C#N 359392853 NTAMWKIYFBQWRZ-MRXNPFEDSA-N 330.338 2.705 30 50 EFEA N#Cc1ccc(OC2CCC(NC(=O)Nc3ccccn3)CC2)nc1 156249220 HQDCTSFGFJSDLQ-UHFFFAOYSA-N 337.383 2.860 30 50 EFEA CC(C)(NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(F)(F)F 297825740 MHRJZXLFEYPSBP-LLVKDONJSA-N 343.324 2.981 30 50 EFEA 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CCOc1cccc(/C=N\N2CCN(c3ccccc3)CC2)c1O 15685377 AOYBGXRLFUHMKS-HKWRFOASSA-N 325.412 2.947 30 50 EFEA CC(C)(C)c1cccc(OCCCON=C(N)c2ccncn2)c1 863488091 GDYZBGQKWDPDBR-UHFFFAOYSA-N 328.416 2.880 30 50 EFEA C#CCOc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 6715863 BMJCTOQOWYZXJM-UHFFFAOYSA-N 338.382 2.800 30 50 EFEA O/C(=N/[C@H]1CCCN(c2nccnc2O)C1)c1cccc2[nH]ccc12 328650690 VSAYRDINSAUUFY-LBPRGKRZSA-N 337.383 2.637 30 50 EFEA CC/N=C(/O)CN1CCCN(C(=O)c2ccc3c(c2)CCC=C3)CC1 329026662 VRWXAKSEJZXCIP-UHFFFAOYSA-N 341.455 2.770 30 50 EFEA COc1cc(C#N)ccc1OCCN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 281578170 ZPQKAIHIFMIOJY-RCCFBDPRSA-N 344.455 2.961 30 50 EFEA Cc1cc(OCC(=O)O/N=C(\N)c2cccnc2)cc(C)c1Cl 4318719 LQSVVHYGDSTXJS-UHFFFAOYSA-N 333.775 2.594 30 50 EFEA CCO[C@@H]1C[C@H](/N=C(/O)[C@H]2COCCN2CC(F)F)C12CCCC2 329999919 VOVXZJZYQZLPQA-HZSPNIEDSA-N 346.418 2.647 30 50 EFEA COC(=O)c1cccc(NC2CCN(c3ncccc3C#N)CC2)c1 154947462 WPXFWURCANUSGD-UHFFFAOYSA-N 336.395 2.821 30 50 EFEA 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CCc1ncsc1/C(O)=N/[C@H](c1nc(C)no1)C1CCOCC1 328611050 KDZNXUITHVAXFS-LBPRGKRZSA-N 336.417 2.869 30 50 EFEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2cc(Cl)ccc2C#N)C1 328612767 PUIOKQOOGWLETH-MRXNPFEDSA-N 345.790 2.985 30 50 EFEA N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 253424242 BZDQDPQLQPSATN-UHFFFAOYSA-N 338.323 2.999 30 50 EFEA CCC#CCN1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 72476824 NLDSLSGHEBQOQP-FQEVSTJZSA-N 325.456 2.700 30 50 EFEA Cc1noc(C)c1CO[C@H]1CCN(c2nc3c(cc2C#N)CCC3)C1 375157711 GNCQRVGGKLBPLE-INIZCTEOSA-N 338.411 2.842 30 50 EFEA Cc1cc(C)c(C#N)c(N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)n1 72146058 MFXRURSKPVFRRV-QGZVFWFLSA-N 346.434 2.750 30 50 EFEA CCOC(=O)c1[nH]c(C2CCN(c3ccnc(C#N)c3)CC2)nc1C 1775985611 NVZGDSRVXOQXMJ-UHFFFAOYSA-N 339.399 2.546 30 50 EFEA C[C@H](c1cccc(C#N)c1)N(C)C(=O)Cc1cnn(-c2ccccc2)n1 1461081921 VHGUZAFOZCVSKQ-OAHLLOKOSA-N 345.406 2.901 30 50 EFEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)c1 169746758 UDZGGUNDDHBCGY-UHFFFAOYSA-N 330.111 2.791 30 50 EFEA in-vitro C#CCN(CC)S(=O)(=O)c1ccc2c(c1)c1ccccc1n2C 919929855 PRUHXWPAZNIBJP-UHFFFAOYSA-N 326.421 2.975 30 50 EFEA C#C[C@@H](NC(=O)Nc1ccc(F)cc1OCC1CC1)[C@@H]1CCOC1 252507876 WVQVCSZJJZBPGG-UKRRQHHQSA-N 332.375 2.774 30 50 EFEA C=C(C)Cn1nc(C)c(CCC(=O)N[C@H](CO)c2ccccc2)c1C 218368861 QZIWDCDOWOIFSU-LJQANCHMSA-N 341.455 2.858 30 50 EFEA CSCCCN1C(=O)CC[C@@H]2CN(c3cc(C#N)ccn3)CC[C@@H]21 1565527216 QZGWITCITRRJQS-CVEARBPZSA-N 344.484 2.524 30 50 EFEA N#Cc1cccnc1N1CCC(N[C@H]2CCN(c3ccccc3)C2)CC1 1506400670 FRFMCHGNVWHGGZ-IBGZPJMESA-N 347.466 2.791 30 50 EFEA C=CCOc1ccccc1CN1CCN2[C@H](COC[C@H]2C2CC2)C1 1616074669 HEZBEYUUNHYPKM-OALUTQOASA-N 328.456 2.546 30 50 EFEA CC#CC(=O)N1CCC[C@@](Cc2ccc(F)cc2F)(C(=O)OCC)C1 12385483 FGHGMVRVCAIUKH-IBGZPJMESA-N 349.377 2.703 30 50 EFEA COc1ccc(-c2nc(C#N)c(N3C[C@H](C)O[C@H](C)C3)o2)cc1OC 13153115 MWKWQUQBXJUSTE-TXEJJXNPSA-N 343.383 2.844 30 50 EFEA C=CCn1c(SCc2ncnn2CCC)nnc1-c1cccnc1 253430874 MGWHURQCHMJQLD-UHFFFAOYSA-N 341.444 2.820 30 50 EFEA C#CCCC1(CCNC(=O)CCc2cncc(Br)c2)N=N1 2325887509 XZHHRDWGCDPIGK-UHFFFAOYSA-N 349.232 2.859 30 50 EFEA Cc1cc(Cl)ccc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O 10683175 YEYZXHUPJYQFJO-UHFFFAOYSA-N 329.787 2.937 30 50 EFEA N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1[C@H]1CCCC1=O 252477327 MAPDBADWYXGMHE-GDBMZVCRSA-N 345.830 2.984 30 50 EFEA C#C[C@@H](NC(=O)c1ccc(F)cc1I)C(C)C 253393708 NPCOMYSQVHFZIE-GFCCVEGCSA-N 345.155 2.818 30 50 EFEA Cc1ccc(N=C(O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)c(C)n1 328628099 NHEYHUCNSLJAHQ-CQSZACIVSA-N 345.403 2.824 30 50 EFEA CCOc1cc(/C=N\NS(=O)(=O)c2ccc(CC)cc2)ccc1O 32575560 MXCXHQCPVSGSHW-PDGQHHTCSA-N 348.424 2.666 30 50 EFEA N#Cc1ccc([C@H](O)CN2CCC(c3ccc(C#N)cn3)CC2)cc1 879025567 CBGXKCMRCLZFDR-HXUWFJFHSA-N 332.407 2.738 30 50 EFEA CN(Cc1cc(C#CCO)cs1)C[C@H]1Cc2ccccc2CN1C 952966642 IPJNSINQFCUBEL-LJQANCHMSA-N 340.492 2.580 30 50 EFEA C/C(=C1/C(=O)C[C@@H]2[C@@H]1C2(C)C)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 888088585 HHVSHINZGPPWNV-ASRGCRSLSA-N 338.451 2.786 30 50 EFEA CC1(C)OB([C@H]2CCN(C(=O)NCCc3cccnc3)C2)OC1(C)C 1776007554 LDQPSYILSQZTLH-HNNXBMFYSA-N 345.252 2.502 30 50 EFEA CC1(C)OB(c2ccc(OCCO[C@H]3CCCCO3)cc2)OC1(C)C 169984554 QFGHJDSHLFYPPQ-KRWDZBQOSA-N 348.248 2.908 30 50 EFEA N#Cc1ccncc1C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 358444838 NRBUGPOZKWZFCJ-MRXNPFEDSA-N 327.771 2.820 30 50 EFEA C#CCCC1(CCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2CO)N=N1 2325891561 OEWQLHAYZWFDNL-GFCCVEGCSA-N 349.818 2.681 30 50 EFEA OC(=Nc1nccn1-c1ccccc1)N1CC[C@@H](CN2CCCC2)C1 328596136 UNTRDLMCNBYQRK-INIZCTEOSA-N 339.443 2.836 30 50 EFEA CC(=O)c1c(F)cccc1N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 240412636 FNNBDJRPLTXWPC-RBZFPXEDSA-N 349.365 2.878 30 50 EFEA C[C@@H](CNC(=O)c1ccnc(C#N)c1)c1nc(-c2ccccc2)no1 193701191 SUWFUHFJHAMZDN-LBPRGKRZSA-N 333.351 2.537 30 50 EFEA COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)c1ccco1 712292408 XKFOLDONRFKUAA-UHFFFAOYSA-N 343.188 2.840 30 50 EFEA C[C@H](C(=O)N(CC#Cc1ccccc1)C1CCCC1)N1CCCC1=O 55392879 SLMOECWFYJYWES-QGZVFWFLSA-N 338.451 2.820 30 50 EFEA Cc1ccsc1CN(CCN(C)C)C(=O)c1ccc(C#N)nc1 55211286 ZBDAQIGUTZOGOD-UHFFFAOYSA-N 328.441 2.527 30 50 EFEA CN(C)C[C@@H]1CN(C(=O)c2ccc(F)c(C#N)c2)c2ccccc2O1 375165420 KOPGYUALMWJXBC-OAHLLOKOSA-N 339.370 2.667 30 50 EFEA N#Cc1nccn1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 179869195 NAKLZRPKQGZCKA-IBGZPJMESA-N 348.431 2.991 30 50 EFEA CCn1cnnc1[C@@H]1CCCN(C(=O)/C=C/c2cccc(C#N)c2)C1 110751739 AJRRPOFGOBIYDW-KBOKABMXSA-N 335.411 2.589 30 50 EFEA C=CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)O)s2)c1 673629533 OQJHIRWBQIQWMZ-UHFFFAOYSA-N 339.394 2.812 30 50 EFEA COc1ccccc1N/C(=N\OCc1ccccc1)c1nonc1N 6174923 CQCLPRRPLJJHQO-UHFFFAOYSA-N 339.355 2.651 30 50 EFEA C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccco1 100594004 WIUQCCVLEXDDIZ-UHFFFAOYSA-N 343.379 2.973 30 50 EFEA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(c2ccc(C#N)cc2)CC1 328642099 QVFZLRIYECCQJQ-FQEVSTJZSA-N 349.438 2.756 30 50 EFEA N#Cc1cc(N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)ncn1 253428565 ASBSMULHSDNMAO-GFCCVEGCSA-N 347.300 2.584 30 50 EFEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(-c2cc[nH]n2)o1 71763778 SPXGIEKHXXEDTO-UHFFFAOYSA-N 345.366 2.895 30 50 EFEA N#Cc1c(N)nc2c(c1-c1ccc(-n3ccnc3)cc1)[C@H]1CC[C@@H](C2)N1 71614578 QNIQCNYAIWKZRM-XJKSGUPXSA-N 342.406 2.737 30 50 EFEA COc1cc(OC)c2ncc(C#N)c(N3CC[C@H]4OCC[C@H]4C3)c2c1 376428839 RUCDLDWUVXIAII-BLLLJJGKSA-N 339.395 2.739 30 50 EFEA CN1CCN(c2c(C#N)nnc3ccccc23)C[C@@H]1Cc1ccccc1 286824363 XJPWUSGTVOCWSQ-KRWDZBQOSA-N 343.434 2.865 30 50 EFEA Cc1cc(N2CCC(Nc3ccc(C#N)cc3CO)CC2)nc(C)n1 874435526 WPXDCTZWYBZVSP-UHFFFAOYSA-N 337.427 2.538 30 50 EFEA C=CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1ccc(C)c(C)c1 6731290 INTHYHNNOJTEGQ-ZDUSSCGKSA-N 346.456 2.798 30 50 EFEA COc1ccc(CC2(CO)CCN(c3ncccc3C#N)CC2)cc1 67713367 HBRVSDCMHXRIKJ-UHFFFAOYSA-N 337.423 2.783 30 50 EFEA CCc1nc(C)c(N=C(O)N=c2cc([C@H]3CCCOC3)[nH][nH]2)s1 329951303 MIUOMNGDAHOTKN-JTQLQIEISA-N 335.433 2.711 30 50 EFEA Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 269390065 VCLCEYDCGSPSDH-CJNGLKHVSA-N 330.819 2.895 30 50 EFEA CO[C@@H](C(=O)Nc1ccc(-n2cc(C#N)c(N)n2)cc1)c1ccccc1 170593535 CJPFHPQYKUPKOI-QGZVFWFLSA-N 347.378 2.652 30 50 EFEA C=CCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 12581356 RXKIHTZWYGTSJU-IBGZPJMESA-N 348.393 2.882 30 50 EFEA CCn1cc([C@H]2OCCC[C@@H]2NC(O)=Nc2cncc(C)c2)cn1 328632452 RWGMCGZIBICFMX-JKSUJKDBSA-N 329.404 2.662 30 50 EFEA CC(C)(C)n1ncc(/C(O)=N/[C@@H]2C=C[C@H](CO)C2)c1C(F)(F)F 330553355 YLLCWFVZSGUVDH-VHSXEESVSA-N 331.338 2.899 30 50 EFEA C#CCCC1(CCC(=O)N2CC[C@]3(Cc4ccccc4C3=O)C2)N=N1 2325900180 NZOSSSUTSVWNOI-IBGZPJMESA-N 335.407 3.000 30 50 EFEA Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 225587114 MWEMXCPTSIFYQE-BBWFWOEESA-N 348.468 2.571 30 50 EFEA Cc1ccc(S(=O)(=O)O[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 34100976 MWACHFODPQVXHF-ZDUSSCGKSA-N 341.429 2.710 30 50 EFEA in-vitro COc1ccccc1N1CCN(/N=C(\C)c2ccc(O)cc2)CC1 12342960 PTIIBZDTRPVUJW-HMMYKYKNSA-N 325.412 2.947 30 50 EFEA N#Cc1c(NC(=O)CCn2ccnn2)sc2c1CCCCCC2 253392471 BZJLLYQHNCYCJK-UHFFFAOYSA-N 329.429 2.899 30 50 EFEA Cc1nc(/C(O)=N/[C@@H](Cc2ccc(O)cc2)C(=O)OC(C)C)c(C)o1 328597984 JXJDCPOBXRUICZ-HNNXBMFYSA-N 346.383 2.865 30 50 EFEA C=CCc1cc(CN2C[C@H](CC)O[C@]3(CCOC3)C2)cc(OC)c1O 240423785 FQVBHLDZHJNYMA-FXAWDEMLSA-N 347.455 2.899 30 50 EFEA C=CCn1nc(C(=O)OCC)c2c1CCN(Cc1cccc(O)c1)C2 14540323 FDUDRYUJMAAPTJ-UHFFFAOYSA-N 341.411 2.510 30 50 EFEA COc1ccccc1[C@@H]1O[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@@H]2C 226963717 LUFYEGVOQAFEAJ-TZJWZKGTSA-N 336.351 2.670 30 50 EFEA C#CCCC1(CCC(=O)N2CCN(c3ccc(Cl)cn3)CC2)N=N1 952881527 PJXGBOIWKCVCGG-UHFFFAOYSA-N 345.834 2.739 30 50 EFEA C=CCN(Cc1cccc(OC)c1)Cc1c(CO)cnc(C)c1O 952961163 QEFONBZJIOCPGR-UHFFFAOYSA-N 328.412 2.785 30 50 EFEA Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(C#N)c1C 170637109 RPNUNFBHNXESFV-ABAIWWIYSA-N 345.447 2.705 30 50 EFEA C#C[C@@H](CCC)NC(=O)c1ccccc1I 170611754 CLCMXCIXJOGMNY-JTQLQIEISA-N 327.165 2.823 30 50 EFEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N(C)C)C2 14753803 OQVBXQSDXNUAMC-OAHLLOKOSA-N 330.476 2.504 30 50 EFEA N#C[C@H]1CN(Cc2cccc(F)c2F)C[C@]12C(=O)Nc1ccccc12 369523010 VQKNEENKIUMDFF-DJJJIMSYSA-N 339.345 2.810 30 50 EFEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 5013426 SZSIXECQPOKVJJ-KRWDZBQOSA-N 337.375 2.911 30 50 EFEA N#Cc1cc(Oc2ccc(CC(=O)OCc3cnccn3)cc2)ccn1 2325714042 WZHPNCNHFYTZOJ-UHFFFAOYSA-N 346.346 2.821 30 50 EFEA C=CCN(c1ccc(C(=O)N2CCC[C@H](C)C2)cc1)S(C)(=O)=O 10541581 NLBGEUDBPPIFKZ-AWEZNQCLSA-N 336.457 2.511 30 50 EFEA CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)CC1 328639056 PJZPSVDTNNHWKN-GOSISDBHSA-N 347.484 2.731 30 50 EFEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)c2cccc3c2NCCC3)C1 91365105 BKAVGFBPEGHNQY-LJQANCHMSA-N 328.412 2.928 30 50 EFEA N#Cc1cccc(NC(=O)c2ncn(-c3ccc(F)c(F)c3)n2)c1 252488368 IQOCWSZOWHVROZ-UHFFFAOYSA-N 325.278 2.669 30 50 EFEA COc1ccc2c3c(n(CC#N)c(=O)c2c1OC)-c1ccccc1C3=O 826744569 ODZYDURTKLCABA-UHFFFAOYSA-N 346.342 2.754 30 50 EFEA biogenic CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2ccc(Cl)c(C#N)n2)C1 888102946 WIJDUWJLTZQYKG-RISCZKNCSA-N 331.807 2.913 30 50 EFEA CC(C)(C)c1nnc(C/N=C(/O)N[C@@H]2CCO[C@@H](C3CC3)C2)s1 328587362 GZMYLFSUSPMZNI-VXGBXAGGSA-N 338.477 2.797 30 50 EFEA N#CCCN(CCC#N)S(=O)(=O)c1cc(Cl)ccc1Cl 2855968 IAHQDONKVNGVQO-UHFFFAOYSA-N 332.212 2.811 30 50 EFEA C#Cc1c[nH]nc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 2325813446 YIDOXCFILNAELR-UHFFFAOYSA-N 329.787 2.728 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2CCC[C@H]2Cc2cnn(C)c2)N=N1 2325886424 WXLHCJUPBNPPLQ-HOTGVXAUSA-N 327.432 2.603 30 50 EFEA C#CCCC1(CCNC(=O)CCc2cnc3n2CCCCC3)N=N1 2325899876 BZXTXQXBECNPEX-UHFFFAOYSA-N 327.432 2.624 30 50 EFEA Cc1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)o1 438616069 AVZCFHMRQOCGIA-UHFFFAOYSA-N 325.368 2.975 30 50 EFEA O=C(NCC/N=C(/O)[C@H]1CCCN1C1CCCC1)c1cccs1 328825604 RXPYFENLVPCRIG-CQSZACIVSA-N 335.473 2.841 30 50 EFEA Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C 278347710 GFKBDBXYBCZULV-UHFFFAOYSA-N 342.830 2.821 30 50 EFEA C[C@@H]1NCC[C@H]1C(=O)Nc1ncc(Cc2ccccc2C#N)s1 2325786546 WJKDULTZGGZIRH-XHDPSFHLSA-N 326.425 2.542 30 50 EFEA C=C1C[C@H]1CNC(=O)[C@H](COC1CCCC1)NC(=O)OC(C)(C)C 2325792624 ZEBGUIRVQBRUEE-ZFWWWQNUSA-N 338.448 2.531 30 50 EFEA N#CCCN(C(=O)[C@@H]1CC12CCOCC2)c1ccc2c(c1)OCCO2 253432190 JCPXUUMOLHEJKR-HNNXBMFYSA-N 342.395 2.521 30 50 EFEA CC(=O)Nc1ccc(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 241634590 PNQWJSCPWPOARO-NRFANRHFSA-N 348.450 2.855 30 50 EFEA CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2ccc(F)c(C#N)c2)C1 1775957434 UOMOBABTYWTBMX-FUHWJXTLSA-N 341.386 2.761 30 50 EFEA CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 1776007592 NWAUNPGQVBQHMF-HOTGVXAUSA-N 349.280 2.838 30 50 EFEA Cc1cc(NC(=O)C2CCN(c3cccc(F)c3C#N)CC2)no1 170621701 YYYYDFXZIGOONS-UHFFFAOYSA-N 328.347 2.849 30 50 EFEA N/C(=N\OC(=O)/C=C/c1ccc(Br)cc1)c1ccccn1 5092985 DOVLTFQWAQYCBL-RMKNXTFCSA-N 346.184 2.721 30 50 EFEA aggregator CC1(C)CC(=O)C(=C(N)NC(=O)Nc2ccc(Cl)cc2)C(=O)C1 1776111426 WFWGPPHOPXFSAB-UHFFFAOYSA-N 335.791 2.590 30 50 EFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)cc1 19314891 WWAPEASXPFKEOB-QGZVFWFLSA-N 327.380 2.923 30 50 EFEA CC(=O)c1cc(C#N)c(SCC(=O)c2ccc(O)c(O)c2)nc1C 239931 PFIGCTCGGFRAPI-UHFFFAOYSA-N 342.376 2.851 30 50 EFEA COc1ccc(-n2nnc(C(=O)Nc3ccccc3C#N)c2C)cc1 4938702 JHHCVAXQHOFISD-UHFFFAOYSA-N 333.351 2.708 30 50 EFEA C=C(C)COc1cccc(C(=O)NCc2cn3nc(C)sc3n2)c1 55255973 GJDGQANXTKXLDJ-UHFFFAOYSA-N 342.424 2.984 30 50 EFEA CN(CCC#N)C(=O)CCN1CCC(c2c[nH]c3ncccc23)CC1 131876138 MGENHPSDTZGFBF-UHFFFAOYSA-N 339.443 2.504 30 50 EFEA Cc1oc(C#N)cc1C(=O)N1CCCC[C@H]1COC(=O)N1CCCC1 376381674 FRKXMQZUDFOQOC-AWEZNQCLSA-N 345.399 2.687 30 50 EFEA C=CCn1c(SCc2c(C)noc2C)nnc1C1CCNCC1 426414494 FVDVXMMNPPHPKJ-UHFFFAOYSA-N 333.461 2.828 30 50 EFEA Cc1cc(C#N)cnc1N1C[C@@H](NC(=O)C2CCC2)CC2(CCC2)C1 1875349914 SMNKBUPMNMOCPR-KRWDZBQOSA-N 338.455 2.927 30 50 EFEA Cc1c(Cl)cnc(NCc2nnc([C@@H]3CCCOC3)o2)c1C#N 886079004 AYRJGVWYEIYHDQ-SNVBAGLBSA-N 333.779 2.804 30 50 EFEA Cc1cc(C)n(-c2ccccc2CN2CCCn3nc(C#N)cc3C2)n1 1506404979 BFCSNYWONYVTRO-UHFFFAOYSA-N 346.438 2.963 30 50 EFEA COc1cc(/C=N/CC/N=C/c2ccc(O)c(OC)c2)ccc1O 2165281 XZTBGZJDASVCCM-AYKLPDECSA-N 328.368 2.653 30 50 EFEA Cn1ccc(C2CCN(c3nc4c(cc3C#N)CCCC4)CC2)cc1=O 1772808618 WHZLFLXAJRIHNT-UHFFFAOYSA-N 348.450 2.915 30 50 EFEA Cc1nc(C2=C(N)N(CCc3ccccc3F)CC2=O)sc1C 13683729 RZKMBHVWCVAPHN-UHFFFAOYSA-N 331.416 2.654 30 50 EFEA C#CCCC1(CCC(=O)N[C@H](C(=O)O)[C@H]2CCc3ccccc32)N=N1 2325887136 VWGFEHIAFOMBOW-RDJZCZTQSA-N 339.395 2.642 30 50 EFEA Cc1nnc2ccc(N/N=C/c3ccc(Br)cc3)nn12 4990820 VXWGLJFSABOIBH-OVCLIPMQSA-N 331.177 2.641 30 50 EFEA Cc1c(C(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)cnc(O)c1C#N 77456210 MFZDFLAYUYUNTI-HNNXBMFYSA-N 349.390 2.702 30 50 EFEA N#Cc1cc(F)c(C(=O)N2CC3(CCOCC3)[C@H]2C2CC2)c(F)c1 294375359 WJHMLIXCTSPCER-MRXNPFEDSA-N 332.350 2.868 30 50 EFEA Cc1cc(C)c(C#N)c(NC[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 952817939 WYKSNHJRVYZKAH-YJBOKZPZSA-N 335.411 2.597 30 50 EFEA CCNS(=O)(=O)c1ccc2c(c1)N(CC(C)(C)CCC#N)CC2 191561043 BJWALQQIQPXCLN-UHFFFAOYSA-N 335.473 2.677 30 50 EFEA C=CCC(=O)N1CC[C@]2(CCCN(CCc3ccccc3)C2=O)C1 15064674 MIASFPRITDIKDU-HXUWFJFHSA-N 326.440 2.646 30 50 EFEA COc1ccc(-c2nc(CNc3nccnc3C#N)c(C)o2)cc1O 1857670524 SELGEZWRJRGBGG-UHFFFAOYSA-N 337.339 2.638 30 50 EFEA C#CCCC1(CCC(=O)N2CC[C@@H](Nc3cccc(C#N)c3)C2)N=N1 2325892191 DIBFQDAOPHJYMW-QGZVFWFLSA-N 335.411 2.927 30 50 EFEA CCOC(=O)[C@H]1CCCN(CCCCOc2ccc(C#N)cc2)C1 6703426 XBPUOBZHEIYJBR-KRWDZBQOSA-N 330.428 2.992 30 50 EFEA NC1=N/C(=N\c2ccc(Br)cc2)NC2(CCCCC2)N1 8688054 DNAPJUXHSDUKFZ-UHFFFAOYSA-N 336.237 2.605 30 50 EFEA aggregator C#Cc1ccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)cc1 23358379 KAYYHVNTSLLGCQ-OAQYLSRUSA-N 326.484 2.869 30 50 EFEA CCCNc1ncc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)cn1 71751792 VVAKHIRHIPDOPH-UHFFFAOYSA-N 348.414 2.523 30 50 EFEA CCc1cn[nH]c1[C@@H]1CCCN(Cc2cc(C#CCO)cs2)C1 82087358 BQMYDACCZXRWEY-MRXNPFEDSA-N 329.469 2.757 30 50 EFEA N#Cc1ccc(N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cn1 252511341 ZZRYWTJNLIDKQZ-AUUYWEPGSA-N 335.411 2.847 30 50 EFEA C#CCCC1(CCC(=O)NCc2cccc(N3CCCC3)n2)N=N1 2325900234 QGUFVCWZMDRBGG-UHFFFAOYSA-N 325.416 2.654 30 50 EFEA C=CCNc1nc([C@@]2(C)C[C@]3(CC(C)(C)OC3=O)C(=O)O2)cs1 2198924 WEJPJKNIRSDDBM-CVEARBPZSA-N 336.413 2.615 30 50 EFEA C=CCN(CC#Cc1ccccc1)C(=O)[C@@H]1COc2ccccc2O1 55393725 APPPWHWORGYPDL-FQEVSTJZSA-N 333.387 2.893 30 50 EFEA C[C@@H]1CSc2ccccc2N1S(=O)(=O)c1ccc(C#N)nc1 126030514 RNKOPYQVGYMXSU-LLVKDONJSA-N 331.422 2.643 30 50 EFEA N#Cc1c(F)cc(CNC(=O)Nc2cnc(C3CC3)nc2)cc1F 685943164 FKRRHFZGMANXGK-UHFFFAOYSA-N 329.310 2.826 30 50 EFEA C=CCN(C)C(=O)c1ccc(I)cc1NC 408521295 OQWFPZWYRVVVGN-UHFFFAOYSA-N 330.169 2.591 30 50 EFEA COC[C@H](NC(=O)Nc1ccn(CCC#N)n1)c1ccc(Cl)cc1 193569657 NBLWGGKPHYIVKB-AWEZNQCLSA-N 347.806 2.959 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)N=N1 2325892258 GKYZINGBLKHJMC-SHTZXODSSA-N 341.415 2.639 30 50 EFEA C=CCn1c(SCc2nc(C(C)C)no2)nnc1C1CCNCC1 426376414 QJCLFACUBPJJKY-UHFFFAOYSA-N 348.476 2.730 30 50 EFEA COc1cc(/C=N/N=C2\NC(=O)[C@@H](c3ccccc3)S2)ccc1O 5670155 JFDJCUVTFVZIGT-BFERYNQYSA-N 341.392 2.695 30 50 EFEA CCOC(=O)C1(CCOC)CCN(CC#Cc2ccccc2)CC1 11720766 OHEQSFDFMOKJNM-UHFFFAOYSA-N 329.440 2.720 30 50 EFEA C=C(C)CN1C(=O)N[C@](CC)(C2CCN(C(=O)[C@H](C)CC)CC2)C1=O 14879187 VAEHOPKTILIXNV-AUUYWEPGSA-N 349.475 2.548 30 50 EFEA N#Cc1ccc(OCC(=O)N2CCCC[C@H]2C2CCOCC2)cc1 2325787289 PXMLDLFAYFSEMH-SFHVURJKSA-N 328.412 2.745 30 50 EFEA C[C@@H]1CCCCN1S(=O)(=O)c1oc(-c2ccccc2)nc1C#N 1857799722 WAUIFJDLBHEIJY-GFCCVEGCSA-N 331.397 2.776 30 50 EFEA CC(=O)[C@@H](OC1=CC(=O)C[C@H](c2ccccc2)C1)C(=O)OC(C)C 100161773 QEAFHWWVECLYFF-MAUKXSAKSA-N 330.380 2.943 30 50 EFEA C=CC[C@@H]1C=CC[C@@H](CC=C)N1C(=O)CSc1nnc(N)s1 55253035 WWIKRXXDFGKZLL-VXGBXAGGSA-N 336.486 2.890 30 50 EFEA CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1cccc(Br)c1 250570240 WKIMYRIQRDNBJD-MELADBBJSA-N 349.228 2.786 30 50 EFEA N#CCCn1ccc(=NC(=O)c2c(F)cc(C(F)(F)F)cc2F)[nH]1 354453501 NIWFEFCBFQACHM-UHFFFAOYSA-N 344.243 2.768 30 50 EFEA Cc1nc(N)sc1-c1cc(-c2cc(C#N)n(C)c2C)c(C#N)c(N)n1 71415687 KTPZMDFIILYZAV-UHFFFAOYSA-N 349.423 2.735 30 50 EFEA N#Cc1ccc2ncc(CN[C@@H]3CCN(c4ccccc4F)C3)n2c1 366551765 ABZJQICHJPWWQW-OAHLLOKOSA-N 335.386 2.714 30 50 EFEA CC[C@@H](C)Sc1ncc(-c2c(C#N)c(N)nc3c2COCC3)cn1 71760182 KAACITAIZLIKNX-SNVBAGLBSA-N 341.440 2.956 30 50 EFEA Cc1ccc(F)cc1CN1CCN(c2nccnc2C#N)C[C@H]1C 245985423 PXHIIZYGHNJIOK-CQSZACIVSA-N 325.391 2.507 30 50 EFEA C[C@@](C#N)(NC(=O)CN1CCC[C@H]1CCc1ccccc1)C1CC1 242339320 ZGVSYLWOUBPSAN-ICSRJNTNSA-N 325.456 2.892 30 50 EFEA NC(=S)C(=NNc1ccc(Cl)cc1Cl)C(=O)N1CCCC1 254833397 DIJYPRLNEIRPCP-UHFFFAOYSA-N 345.255 2.670 30 50 EFEA CN1C[C@@H](/N=C(\c2ccccc2Cl)c2nccn2C)CCC1=O 225513335 RWYBQNQZYMOLFP-WREBDXAUSA-N 330.819 2.532 30 50 EFEA N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)c1nnc2n1CCCCC2 192707676 WXYGOARNJYUACH-CYBMUJFWSA-N 329.791 2.904 30 50 EFEA C=CCN1C[C@H](C)N(C(=O)CSc2cccc(OC)c2)C[C@@H]1C 1615708272 ZQUTZJGZCJVRRS-GJZGRUSLSA-N 334.485 2.895 30 50 EFEA C=CCOc1ccccc1CNC(=O)c1ccnc(N2CCCC2)n1 265791583 SBKKYVOZZZYTCM-UHFFFAOYSA-N 338.411 2.572 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2CCc3cc(OC)ccc3C2=O)N=N1 2325893138 ZADSLZVGDMUJER-INIZCTEOSA-N 339.395 2.665 30 50 EFEA C=C/C(O)=N/CC1(N2CCN(c3ccccc3)CC2)CCOCC1 328600307 WRJBRLIELLHIJN-UHFFFAOYSA-N 329.444 2.500 30 50 EFEA COc1ccc(CN2C(=O)N[C@](C)(C3CCCC3)C2=O)cc1C#N 374524364 VTSBQYGRRPHZIK-GOSISDBHSA-N 327.384 2.568 30 50 EFEA Cc1ccc(N2CCCC2=O)cc1NC(=O)N1CCC[C@@H](C#N)C1 426399369 HWACHUXFFQDUMI-AWEZNQCLSA-N 326.400 2.889 30 50 EFEA CC(C)N1C[C@@H](C(=O)Nc2sc3c(c2C#N)CCCC3)CC1=O 5633206 ZFTYIOKUXRFTGD-NSHDSACASA-N 331.441 2.694 30 50 EFEA COc1ccccc1/C=N\N1CCN(c2ccccc2OC)CC1 15685205 NDIDLTGZXNWDKI-HKWRFOASSA-N 325.412 2.860 30 50 EFEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 5013425 SZSIXECQPOKVJJ-QGZVFWFLSA-N 337.375 2.911 30 50 EFEA C[C@H]1NCC[C@H]1C(=O)Nc1ncc(Cc2ccccc2C#N)s1 2325786544 WJKDULTZGGZIRH-IAQYHMDHSA-N 326.425 2.542 30 50 EFEA C#CCCC1(CCC(=O)NCC(=O)Nc2cccc3ncccc23)N=N1 2325892373 LBAPTHGMUWSFOB-UHFFFAOYSA-N 349.394 2.645 30 50 EFEA N#C[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1cccc(Br)c1 127705509 RNYVVGBAWSJZQQ-CYBMUJFWSA-N 345.200 2.656 30 50 EFEA N#Cc1cnc(N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cn1 241897377 TYFVQYWGJJSTPI-LBPRGKRZSA-N 347.300 2.584 30 50 EFEA CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(C#N)cc2OC)[nH]n1 184867734 YPYYTKYBVCEGRR-NSHDSACASA-N 348.428 2.994 30 50 EFEA C#CCCC1(CCC(=O)Nc2nc3ccc(OC)nc3s2)N=N1 2325892900 PMRLYKUHZRCZAJ-UHFFFAOYSA-N 329.385 2.994 30 50 EFEA C=CCN(Cc1cccc(OCC)c1)C(=O)[C@@H]1CCN(CCOC)C1 55405231 NTTWDNFRCJLWQU-GOSISDBHSA-N 346.471 2.568 30 50 EFEA Cc1noc([C@H](N/C(O)=N/[C@H](C)c2ccco2)C2CCOCC2)n1 328640961 XRJZXLXFNPFQFG-QMTHXVAHSA-N 334.376 2.704 30 50 EFEA N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCc3ccccc32)c1 365086543 BMSOOPSIAQKQSO-LJQANCHMSA-N 345.402 2.639 30 50 EFEA CCn1ncnc1[C@@H](NC(=O)Nc1cc(F)c(C#N)cc1F)C1CC1 95521635 FDCMOCIJXUXREL-AWEZNQCLSA-N 346.341 2.721 30 50 EFEA Cc1[nH]c2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 252428500 IKZCSAPFNLJAJB-MYZINFCKSA-N 345.402 2.863 30 50 EFEA N#Cc1cnc2ccccc2c1N[C@H]1CCN(C(=O)c2ccccn2)C1 195546286 BUPQNCNVSKFXLS-HNNXBMFYSA-N 343.390 2.828 30 50 EFEA C=C(C)COc1cccc(C(=O)N(C)CCCCN2CCOCC2)c1 55309041 CVRSLLRSUPRQBJ-UHFFFAOYSA-N 346.471 2.826 30 50 EFEA C=CCSc1nnc([C@H]2CCCN(Cc3cccnc3)C2)n1C 20855953 ARIMOCDJKUXCOC-HNNXBMFYSA-N 329.473 2.868 30 50 EFEA N#Cc1c(N)nc2c(c1-c1cn(CC(N)=O)c3ccccc13)CCCC2 67868141 UCZYSTHDBGLYCD-UHFFFAOYSA-N 345.406 2.521 30 50 EFEA CC(C)(C)O/C(O)=N/CCC(=O)N1CCC=C(c2cccnc2)C1 328591858 YCTMVLHOYBIYQL-UHFFFAOYSA-N 331.416 2.817 30 50 EFEA Cc1noc([C@H](/N=C(/O)[C@H]2COc3ccccc32)C2CCOCC2)n1 328614167 VODZWYMNTIPASC-GOEBONIOSA-N 343.383 2.978 30 50 EFEA Cn1nc(C(F)(F)F)c(C#N)c1N1CCN(c2ccccc2)CC1 3116847 IABAUSVVAXNMKN-UHFFFAOYSA-N 335.333 2.637 30 50 EFEA N#Cc1cccnc1N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 72161990 HHHOXXXLBIPESR-INIZCTEOSA-N 340.814 2.862 30 50 EFEA COC(=O)c1cc(-c2ccc(Br)cc2)nc(O)c1C#N 328579072 NHBKOLHBXMFRJC-UHFFFAOYSA-N 333.141 2.875 30 50 EFEA COc1ccccc1OCCC[N+]1C(=O)C(=NO)c2ccccc21 343516870 CZZFOSRVUJMWKE-UHFFFAOYSA-N 326.352 2.654 30 50 EFEA N#Cc1c(N)sc2c1CCN(Cc1nc(-c3cccs3)no1)C2 1875254331 XSCRKVFRPHAYRB-UHFFFAOYSA-N 343.437 2.872 30 50 EFEA C=CCNC(=O)c1ccc(NC[C@](C)(O)c2ccc(F)cc2F)nc1 301256082 FOQYWMFUIBIAIC-SFHVURJKSA-N 347.365 2.595 30 50 EFEA N#Cc1ccc(Br)c(COc2ccccc2C(N)=O)c1 191675897 LMVFGHGXNFLJBK-UHFFFAOYSA-N 331.169 2.999 30 50 EFEA C=CCN(Cc1ccccc1OC)C(=O)CC[C@@H](C)N1CCOCC1 55118961 SVBWVRIRHXMJOA-QGZVFWFLSA-N 346.471 2.711 30 50 EFEA COc1ccc(OC)c(/C=N/n2c(SC)nnc2C(F)F)c1 2789765 KBZLLRYIEWHWAJ-FRKPEAEDSA-N 328.344 2.837 30 50 EFEA N#C[C@@]1(C(=O)N2CCC(CCCO)CC2)CCc2ccccc2C1 363671567 KGHNCZMYXYVGCP-HXUWFJFHSA-N 326.440 2.696 30 50 EFEA C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]21OCC1=O 71769871 KVTUNQQLGNXYMG-LXYRKZDWSA-N 344.451 2.827 30 50 EFEA N#Cc1nc(O)n(-c2ccccc2)c(=N)c1N=Cc1ccc(F)cc1 253530008 MEJPJOLXJYWCEV-UHFFFAOYSA-N 333.326 2.819 30 50 EFEA C/N=C(/NCc1ncc(C)s1)N[C@H]1CCCN(c2ccccc2)C1 86745512 AQGYKRSJZZBBNF-HNNXBMFYSA-N 343.500 2.786 30 50 EFEA C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)c2cccnc2O1 189055403 HUUYDPUIHQQVRX-ZDUSSCGKSA-N 337.379 2.925 30 50 EFEA CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)C(F)(F)F 1772575834 ORINYPZCOZOYOC-UHFFFAOYSA-N 343.154 2.507 30 50 EFEA N#Cc1cnc(C(=O)N2CCCCC[C@H]2c2ncon2)c(Cl)c1 408273029 MQFZDGTZDOBHAC-LBPRGKRZSA-N 331.763 2.747 30 50 EFEA N#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 34309848 FJSOTHAUCCEZLI-QGZVFWFLSA-N 336.347 2.892 30 50 EFEA CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1C[C@@H](O)c1ccccc1 245338788 ONXQAFOXRPXIEX-NSHGMRRFSA-N 343.471 2.629 30 50 EFEA C=CC[C@@H](C(=O)NCc1nc[nH]c1C(=O)OCC)c1ccccc1 1304142386 MOVSETLHDSRMNW-CQSZACIVSA-N 327.384 2.563 30 50 EFEA COc1ccc(C(=O)/C=C\NCC(=O)c2ccccc2)c(OC)c1 5611079 BEQZFLXLFVAHSH-KHPPLWFESA-N 325.364 2.873 30 50 EFEA C[C@@H]1CC(=O)NCCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 371044248 UCKSEJZTUGDNEE-CQSZACIVSA-N 348.406 2.652 30 50 EFEA C=C(C)COc1ccccc1C(=O)N(CCO)Cc1nccs1 55385413 WKXMKJQIXSAAOC-UHFFFAOYSA-N 332.425 2.733 30 50 EFEA N#Cc1cccc(CN2CCC[C@@H](CNC(=O)c3cncs3)C2)c1 67741022 RADGHNQWFYAXQE-INIZCTEOSA-N 340.452 2.657 30 50 EFEA CCN1CCC[C@H](/N=C(/O)[C@@H]2CC(=O)N(c3ccccc3F)C2)C1 328917226 RQZOEJWDBMVSQZ-KGLIPLIRSA-N 333.407 2.619 30 50 EFEA N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1 38698888 BLTVBQXJFVRPFK-UHFFFAOYSA-N 334.379 2.639 30 50 EFEA in-man N#C[C@H]1CCCN(C(=O)Nc2cnn(Cc3ccccc3F)c2)C1 426661215 IXPZIKSSUGCLJX-CYBMUJFWSA-N 327.363 2.838 30 50 EFEA CO[C@@]12CC[C@H](OCC3CC3)C[C@@H]1N(c1ncccc1C#N)CC2 426555892 LTGUIUMVMIEQFQ-JENIJYKNSA-N 327.428 2.896 30 50 EFEA N#Cc1cc(F)c(C(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)c(F)c1 294375355 WJHMLIXCTSPCER-INIZCTEOSA-N 332.350 2.868 30 50 EFEA Cn1cc(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c2ccccc21 245226972 UPHRIRMXYZVLDE-GYYKNPCSSA-N 345.402 2.565 30 50 EFEA CC(C)c1nc([C@H]2CN(C(=O)C3(C#N)CCC3)C[C@@H]2C2CC2)n[nH]1 952848951 OIQFDSNIRRPDCZ-KGLIPLIRSA-N 327.432 2.574 30 50 EFEA C#Cc1ccnc(N(CC)C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)c1 1775998422 DDIICMVQYXADCG-UHFFFAOYSA-N 339.395 2.851 30 50 EFEA COc1ccc(/C=N/n2cnnc2)cc1COc1ccccc1F 442969 LLUWMJNYGBUOLD-ZVBGSRNCSA-N 326.331 2.887 30 50 EFEA C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO 1903846752 OMFXVFTZEKFJBZ-SXRIAOIPSA-N 346.467 2.667 30 50 EFEA CCOC(=O)CC(=O)CSc1nc(-c2cccnc2)ccc1C#N 37866330 GHEYAKOHURIGNL-UHFFFAOYSA-N 341.392 2.630 30 50 EFEA C#CCCC1(CCC(=O)N2CCN[C@@H](c3ccccc3F)C2)N=N1 2325892291 IBVDXJMQSYXVSF-MRXNPFEDSA-N 328.391 2.654 30 50 EFEA N#Cc1ccc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cn1 115355790 FUKKETSUOVGJHV-UHFFFAOYSA-N 336.326 2.720 30 50 EFEA N#Cc1ccc(N2CCC[C@](CO)(Cc3ccccc3F)C2)nc1 67908013 QAGLPSMJQHPBDN-IBGZPJMESA-N 325.387 2.914 30 50 EFEA N#Cc1ccccc1CN1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 67982484 QIJRVEYRDYRBLJ-ZWKOTPCHSA-N 336.391 2.637 30 50 EFEA C=CCC[C@@H](CN(C)Cc1cccnc1)Oc1ccc(OC)nn1 67755588 WBUPQNZFDXANLO-INIZCTEOSA-N 328.416 2.726 30 50 EFEA C[C@@H](N[C@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc(C#N)c1 282248060 MQQGBJCVCQFNEN-APWZRJJASA-N 349.434 2.889 30 50 EFEA O/C(=N/[C@@H]1CCOC1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 328602221 AWFSCVMOGWMPKY-KMFMINBZSA-N 345.374 2.834 30 50 EFEA Cc1nc2c(s1)CCC[C@@H]2CN(C)/C(O)=N/Cc1ccnn1C 328631218 QPXFZHMSJOCVHQ-GFCCVEGCSA-N 333.461 2.651 30 50 EFEA CCOc1ccc(O)c(/C=N/[C@H]2CCCN(c3cnn(C)c3)C2)c1 125201184 WIAFWPSEDXUXDE-RPJLVFAOSA-N 328.416 2.612 30 50 EFEA N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CCc3[nH]ncc3C2)c1 162366391 XFILODQQWDZDAX-NSHDSACASA-N 347.325 2.562 30 50 EFEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)Cc2ccsc2)cc1 220191578 UIHFBOOSGPXZCM-IAGOWNOFSA-N 342.420 2.515 30 50 EFEA Cc1cc(C)c(NC(=O)Cn2ccc(C)c(C#N)c2=O)c(Cl)c1 183279750 SWRKQUFCLVPRCV-UHFFFAOYSA-N 329.787 2.937 30 50 EFEA C[C@]1(C(F)(F)F)C[C@](O)(C(F)(F)F)C[C@@](O)(C(F)(F)F)O1 169526949 ZHZPKMZKYBQGKG-PBXRRBTRSA-N 336.150 2.662 30 50 EFEA in-vitro C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](N(CC)CC)C2 14747110 TWFQFRRTPNWPLP-INIZCTEOSA-N 344.503 2.894 30 50 EFEA Cc1cc(C#N)cc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1 370571236 BDJWKILQNJLLPL-QFBILLFUSA-N 338.459 2.515 30 50 EFEA Cn1nccc1[C@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 373858143 FFRPVOHDDRQRSN-INIZCTEOSA-N 334.423 2.995 30 50 EFEA COC(=O)c1ccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)cc1 67756975 UPDXTQYJZANVIP-XJKSGUPXSA-N 348.406 2.680 30 50 EFEA NC(=S)C(=NNc1c(Cl)cccc1Cl)C(=O)N1CCCC1 254739343 AXGNWPOKAZCSPT-UHFFFAOYSA-N 345.255 2.670 30 50 EFEA CC(C)(O)C#Cc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1 670460146 FPSBKCJOICGXKG-UHFFFAOYSA-N 349.478 2.522 30 50 EFEA C[C@H](CC(=O)c1ccccc1)NS(=O)(=O)Cc1cccc(C#N)c1 408513594 NYFDACSNVURNMY-CQSZACIVSA-N 342.420 2.639 30 50 EFEA N#C[C@@H]1CCC[C@@H](NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)C1 221847466 YASLPYBCLVCVKP-UXIGCNINSA-N 336.819 2.817 30 50 EFEA COc1cc(S(=O)(=O)Nc2cc(N(C)C)ccc2C#N)ccc1F 191005769 MTSWXECIRFFZGN-UHFFFAOYSA-N 349.387 2.573 30 50 EFEA C#CCCC1(CCC(=O)Nc2ncccc2OC2CCOCC2)N=N1 2325899878 CEJNJJRXJCHMPN-UHFFFAOYSA-N 342.399 2.934 30 50 EFEA CC1(C)C(O)=Nc2ccc(/C(O)=N/[C@@H]3CCCn4ncnc43)cc21 330244861 XLJNXHFQXRSAPF-CYBMUJFWSA-N 325.372 2.997 30 50 EFEA Cc1ccc(-c2n[nH]cc2/C=N\NS(=O)(=O)c2ccccc2)cc1 32573600 PIYUHTWNBOXOCG-UNOMPAQXSA-N 340.408 2.698 30 50 EFEA COc1cc(/C(O)=N/C[C@@H]2C[C@H](F)CN2Cc2cccs2)on1 328648509 USESRYRKHPVOJT-QWRGUYRKSA-N 339.392 2.662 30 50 EFEA CC1(C)OB(c2cc(OC[C@H]3CCCO3)c(C#N)cc2F)OC1(C)C 170008716 VIIXWSNVMOJCDK-CYBMUJFWSA-N 347.195 2.554 30 50 EFEA COC(=O)C[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccco1 217904725 HUGGNIBLSPRQAK-GFCCVEGCSA-N 326.304 2.818 30 50 EFEA biogenic CC1(C)CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CN(c3ccncc3C#N)C[C@@H]21 1875338836 NKSZCILUQXSHHF-QMCVQRASSA-N 338.455 2.720 30 50 EFEA C#CCCC1(CCC(=O)N2CC[C@@](C(=O)O)(c3ccccc3)C2)N=N1 952876713 VCIUENBYQRKRRC-SFHVURJKSA-N 339.395 2.597 30 50 EFEA C#CCNC(=O)c1ccccc1NC(=O)C[C@H]1CCO[C@H](CC)C1 272798284 UBRMHZRKWHLDJJ-LSDHHAIUSA-N 328.412 2.583 30 50 EFEA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C(=O)Nc1ccc(F)cc1C#N 189870282 KXRDVDFUARMCRL-WQGACYEGSA-N 329.375 2.815 30 50 EFEA CCOC(=O)c1ccc(N/C(S)=N/CCCn2ccnc2)cc1 13556548 SPJWAMXRKWZOQJ-UHFFFAOYSA-N 332.429 2.848 30 50 EFEA COC1(OC)[C@H](C=Cc2ccc(C)cc2)C(C#N)(C#N)C1(OC)OC 1857795380 GYTCFYIQKPCWCT-MRXNPFEDSA-N 342.395 2.650 30 50 EFEA N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1 4807381 JKIVOAACSFBDBM-UHFFFAOYSA-N 326.337 2.932 30 50 EFEA C=CCn1cc(CN2CCO[C@H](c3ccc(OC)cc3)C2)c(C)n1 55242147 YPJFTHXQHNFHPI-IBGZPJMESA-N 327.428 2.960 30 50 EFEA Cn1ccnc1[C@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 369365658 DWFLJRLPIQAORT-INIZCTEOSA-N 334.423 2.995 30 50 EFEA Cn1c(C/N=C(/O)Cc2ccc3c(c2)CCO3)nnc1C1CCC1 329659289 NRQHIDDDYDOPGG-UHFFFAOYSA-N 326.400 2.717 30 50 EFEA N#C[C@@]12C(=O)N=C(O)[C@@]1(C#N)C1c3ccccc3C2c2ccccc21 45070494 HDEMPJHKOPJMTG-YEYPGUGLSA-N 325.327 2.794 30 50 EFEA C=CCCC(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55166169 AGNJWOXVFRZDSP-IBGZPJMESA-N 345.462 2.905 30 50 EFEA N#Cc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(F)c1 20313995 KRJGBKILPYJKSR-UHFFFAOYSA-N 339.370 2.782 30 50 EFEA CN(C(=O)CN1CCC=C(c2cccnc2)C1)C1(C#N)CCCCC1 295715137 GMJTYNBMKRATMI-UHFFFAOYSA-N 338.455 2.856 30 50 EFEA N#C[C@H]1CCC[C@@H]1S(=O)(=O)NCc1ccc(Br)s1 1775989179 GDNHRWKVFDHXHS-SCZZXKLOSA-N 349.275 2.622 30 50 EFEA N#Cc1ccc(C(=O)N(Cc2ccccn2)[C@@H]2CCCNCC2)cc1 186603628 JFHCFDSOUNJDEK-LJQANCHMSA-N 334.423 2.738 30 50 EFEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1c(C)nn(C(F)F)c1C 281501270 QPXPKSMDZDJJSG-IUODEOHRSA-N 327.375 2.535 30 50 EFEA CCOC(=O)c1ccsc1N=C(O)CN1CCN(C)C[C@@H]1CC 328595927 KMABPYNOWCDQHJ-LBPRGKRZSA-N 339.461 2.539 30 50 EFEA C#CCCC1(CCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)N=N1 2325891931 IZFOJAKNCBOKPE-NSHDSACASA-N 326.356 2.700 30 50 EFEA C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1 4838998 FDLMYWDZJHUBDG-UHFFFAOYSA-N 330.409 2.712 30 50 EFEA N#Cc1ccccc1COc1cccc(C(=O)N2C[C@H](O)C3(CC3)C2)c1 364466378 QGMCXXNRPVLNFI-IBGZPJMESA-N 348.402 2.734 30 50 EFEA CCCCc1nc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)c[nH]1 71748092 HWTXWYAHFCIYQJ-UHFFFAOYSA-N 335.415 2.977 30 50 EFEA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccccc1Cl)[C@@H]1C[C@@H]31 245312499 UZVXTCIYZHORKC-LRQFOGGRSA-N 326.783 2.727 30 50 EFEA CCOc1ccc(S(=O)(=O)N(CCC#N)c2cccc(C)c2)cn1 184492755 LZLGRIMKHGPZKY-UHFFFAOYSA-N 345.424 2.898 30 50 EFEA CC(C)N(Cc1ccc(C#CC(C)(C)O)cc1)Cc1nccn1C 821724612 ZOXBMAAGTRMLGJ-UHFFFAOYSA-N 325.456 2.953 30 50 EFEA C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC=C)cc1 4560167 JLJATCDULXJKME-MRXNPFEDSA-N 328.368 2.609 30 50 EFEA C=CCN(Cc1ccccc1C)C(=O)C(=O)Nc1nc(C)cs1 65494307 COADVGOLJAXQLI-UHFFFAOYSA-N 329.425 2.913 30 50 EFEA CC(C)(O)C#Cc1ccc(C(=O)NCc2ccc(-n3cccn3)cc2)o1 216988295 BJPCUHMPRYUWAM-UHFFFAOYSA-N 349.390 2.518 30 50 EFEA O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1ccccc1Cl)[C@H]1C=C[C@H]2C12CC2 245226907 RWKOTIBHCJTIHZ-PKTUKSLYSA-N 326.783 2.871 30 50 EFEA CCNC(=O)[C@H]1CC[C@@](C)(C(=O)NCc2ccc(C#N)cc2)C1(C)C 299793453 HWIOZMXMOSDUMJ-UZLBHIALSA-N 341.455 2.753 30 50 EFEA N#Cc1cc(-c2ccc(C(F)F)c(F)c2)cc(S(N)(=O)=O)c1 1875338825 NHSWACVMPNJBRJ-UHFFFAOYSA-N 326.299 2.949 30 50 EFEA N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccccc2)CC1 6698137 XVAQOBGLAKGUBJ-UHFFFAOYSA-N 348.362 2.769 30 50 EFEA C=CCN(c1ccc(C(=O)N2CCCCCC2)cc1)S(C)(=O)=O 2877272 ISMDKSBVAKWGJF-UHFFFAOYSA-N 336.457 2.655 30 50 EFEA C=CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1Br 8722953 DQQGEOJMHGRMIT-LBPRGKRZSA-N 340.217 2.923 30 50 EFEA C=CCn1cc(CNCCc2csc(-c3cnccn3)n2)c(C)n1 55212052 MLBGKZTVLZZVOQ-UHFFFAOYSA-N 340.456 2.623 30 50 EFEA CC(C)c1nc2n(n1)C[C@@H](/N=C(/O)Cn1cc3ccccc3n1)CC2 329819593 GFGVBOVBTUIFNT-AWEZNQCLSA-N 338.415 2.723 30 50 EFEA N#Cc1ccc(-c2nnc(CN3C[C@@H](O)Cc4ccccc43)o2)cc1 377043731 YRGWHNCOWYGURS-INIZCTEOSA-N 332.363 2.532 30 50 EFEA CN1CCC(Oc2ccc(CNC(=O)c3cccc(C#N)c3)cc2)CC1 241837523 SKUWMCITFVYSAY-UHFFFAOYSA-N 349.434 2.961 30 50 EFEA N#C[C@@H]1CN(c2nc3ccccc3o2)C[C@]12C(=O)Nc1ccccc12 242339152 ZFJKBCHTZVBIBO-BLVKFPJESA-N 330.347 2.678 30 50 EFEA Cc1ccc2oc(C(=O)[C@H](C#N)c3nnc4n3CCCCC4)cc2n1 179000289 WDHXIMGNDIEAKW-LBPRGKRZSA-N 335.367 2.944 30 50 EFEA O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@H]1CO1 1875373078 SXYDGBDQJSISFU-ZIAGYGMSSA-N 329.318 2.688 30 50 EFEA C=CCc1cccc(/C=N/n2c(S)nnc2-c2ccccn2)c1O 1294560 XQIRIPNTUZJMAG-YBFXNURJSA-N 337.408 2.945 30 50 EFEA CCCCN1C(=O)C(=O)/C(=C(/C)O)[C@H]1c1ccc(OC)c(OC)c1 1772492239 DLSVPPKYVJRPIX-UVQBRAAOSA-N 333.384 2.788 30 50 EFEA CC(C)(C)OC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 206041514 SMHWEXDGXVPRTN-UHFFFAOYSA-N 326.227 2.789 30 50 EFEA N#Cc1cccc([C@@H]2CN(C(=O)CCc3ccc(O)cc3)CCO2)c1 253419602 QDUHUPHDTRUHGL-IBGZPJMESA-N 336.391 2.797 30 50 EFEA C[C@]1(Br)C[C@@H]1C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 862164481 HFDGDDOKNJQVOM-KCXAZCMYSA-N 348.244 2.639 30 50 EFEA CC(C)(O)C#Cc1ccc([C@@H]2CC(=O)Nc3c2cnn3CC2CC2)cc1 65385211 UFVUFCURFFDVGE-KRWDZBQOSA-N 349.434 2.890 30 50 EFEA C=CCn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCC3 1052592 JBQIHRFOGDQPEH-UHFFFAOYSA-N 342.420 2.931 30 50 EFEA Cc1nc(SC/C(O)=N/Cc2nc(-c3cccc(F)c3)no2)n[nH]1 328587801 IEOLZCIZODDTQX-UHFFFAOYSA-N 348.363 2.551 30 50 EFEA C[C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@H]1CO 241139479 JRFYHHFQKGMVOM-KOLCDFICSA-N 343.305 2.549 30 50 EFEA CN(Cc1cc(C#CCO)cs1)C[C@@H]1Cc2ccccc2CN1C 952966635 IPJNSINQFCUBEL-IBGZPJMESA-N 340.492 2.580 30 50 EFEA N#Cc1c(N)nc2c(c1-c1ccc(-c3cc[nH]n3)o1)N1CCC2CC1 102688914 YGDASTYPKUSVGE-UHFFFAOYSA-N 332.367 2.883 30 50 EFEA CC1=C/C(=N\S(=O)(=O)c2ccccc2)C=C(Br)C1=O 15223349 BWMVRDWWIXBHLC-XNTDXEJSSA-N 340.198 2.624 30 50 EFEA C=C(C)CN1C(=O)N[C@@](CC)(C2CCN(C(=O)[C@@H](C)CC)CC2)C1=O 14879190 VAEHOPKTILIXNV-LIRRHRJNSA-N 349.475 2.548 30 50 EFEA Cc1noc([C@H]2CCN(c3oc(-c4cccs4)nc3C#N)C2)n1 1857798915 GFQGAMAHYALPGU-JTQLQIEISA-N 327.369 2.960 30 50 EFEA N#Cc1ccc(N2CC[C@@H](n3cc(-c4ccccc4F)nn3)C2=O)cc1 2325776484 QSUCARMMWLZGNY-GOSISDBHSA-N 347.353 2.934 30 50 EFEA CN1CCN(c2c3c(c(C#N)c4nc5ccccc5n24)CCC3)CC1 135264 GHWWPKGEXYATFJ-UHFFFAOYSA-N 331.423 2.600 30 50 EFEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)/C(O)=N/C[C@H]1CCCS1 328621228 HOWLFICELHZFCW-BBWFWOEESA-N 348.516 2.816 30 50 EFEA Cc1ccc(N=C(O)N2CC[C@@H](Oc3cccnc3N(C)C)C2)cn1 328624708 KAPCWTXLNMFUDH-OAHLLOKOSA-N 341.415 2.550 30 50 EFEA C[C@@H](CC#N)N(C)S(=O)(=O)N(C)Cc1cccc(C(F)(F)F)c1 282998292 NRCGSWCRNVQKQJ-NSHDSACASA-N 349.378 2.616 30 50 EFEA Cc1ccnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1C#N 253426679 NGTHVXLOGYHTFB-UHFFFAOYSA-N 340.814 2.878 30 50 EFEA N#C[C@H]1N(C(=O)c2nc3cccnc3s2)CCC[C@@]12CCCCO2 239672570 BTXHRXZOIJGPLE-DYVFJYSZSA-N 342.424 2.759 30 50 EFEA COC(=O)[C@@H](C#N)c1cc(Br)c(Cl)cc1[N+](=O)[O-] 95494772 MDXNPQYBWWSCHR-LURJTMIESA-N 333.525 2.791 30 50 EFEA CC1(C)CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]2CN(c3ccncc3C#N)C[C@H]21 1875338835 NKSZCILUQXSHHF-MWQQHZPXSA-N 338.455 2.720 30 50 EFEA C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1CCC(=O)N(C)CCC#N 189510108 GPPOADAXLBHVRA-YOEHRIQHSA-N 349.862 2.864 30 50 EFEA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2sccc2C#N)C1 190589204 LOSAEABKDHXIKQ-HNNXBMFYSA-N 340.452 2.609 30 50 EFEA COc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1O 4548701 DVTBFLDOPXRTTR-OVCLIPMQSA-N 332.272 2.663 30 50 EFEA Cc1ccc(CN2CCN(/N=C/c3ccc(C(=O)O)cc3)CC2)cc1 4951558 CXDBXMSOGOSCJY-KGENOOAVSA-N 337.423 2.845 30 50 EFEA CC(=O)N(C)c1cccc(N=C(O)N[C@@]2(C)CCO[C@@H]2C2CC2)c1 328587275 UBAQEICCDBPSFE-AEFFLSMTSA-N 331.416 2.762 30 50 EFEA Cc1cc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)[C@H](C)OCC2CC2)on1 328636693 OFSAWXVFGOMBCJ-QEJZJMRPSA-N 339.411 2.667 30 50 EFEA CC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1c1ccc(C)cc1 77376582 NKUDQJZQFNDNSF-LEWJYISDSA-N 333.435 2.971 30 50 EFEA CC(C)(C(=O)NCCCNc1ccccn1)c1cc(F)cc(C#N)c1 285613708 XNWLPKSIRFKZGI-UHFFFAOYSA-N 340.402 2.988 30 50 EFEA C#CCCC1(CCC(=O)N(C[C@H]2CCCO2)c2ccncc2)N=N1 952880773 ICRIVBLKTALBLT-MRXNPFEDSA-N 326.400 2.949 30 50 EFEA C/C(C[C@@]1(O)C(=O)Nc2ccccc21)=N\Nc1ccc([N+](=O)[O-])cc1 5289594 YXZFQRVVVRVMFZ-WAKXPGHKSA-N 340.339 2.613 30 50 EFEA Cc1ccc(CN2CCN(/N=C/c3ccc(O)cc3O)CC2)c(C)c1 19791038 QUIHIMFSIVRMLM-FYJGNVAPSA-N 339.439 2.866 30 50 EFEA COc1ccc(COc2cncc(B3OC(C)(C)C(C)(C)O3)c2)cc1 169794687 UANQIDKGSZWJFX-UHFFFAOYSA-N 341.216 2.968 30 50 EFEA OC(=Nc1ccccn1)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 328586764 HRSDTRFWMCOFNS-KRWDZBQOSA-N 331.803 2.960 30 50 EFEA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)OCc1ncc(C#N)cn1 842058098 FLGSBASRJUAAKS-BMFZPTHFSA-N 331.416 2.869 30 50 EFEA COc1cccc(-n2cc(CNC(=O)c3ccccc3C#N)cn2)c1 217804279 RDKFCXCMHFTCDC-UHFFFAOYSA-N 332.363 2.683 30 50 EFEA COC[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C#N)C1 448981103 SCBHMVBKKZLMRL-LLVKDONJSA-N 337.217 2.819 30 50 EFEA Cc1nc(NC(=O)Nc2ccn(CCC#N)n2)ccc1Br 170605392 ATWSWRYYOXWZNF-UHFFFAOYSA-N 349.192 2.907 30 50 EFEA CC[C@@H](C#N)NC(=O)c1ccn(-c2ccc(Br)cc2)n1 339627604 NAQKTEPTUQSCJO-NSHDSACASA-N 333.189 2.667 30 50 EFEA C#CCCC1(CCC(=O)NCc2cccc3c2OCCCO3)N=N1 952881563 NWUKHLJDDDPYMG-UHFFFAOYSA-N 327.384 2.820 30 50 EFEA Cc1oc(C#N)cc1C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 281013191 HNSAJPXYEQKLTJ-MEDUHNTESA-N 332.306 2.686 30 50 EFEA CC[C@@H](C(=O)O/N=C(\N)c1ccc([N+](=O)[O-])cc1)c1ccccc1 18251059 QWDCEAORJAXCJS-OAHLLOKOSA-N 327.340 2.952 30 50 EFEA C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]1c1ccccc1Cl 253398615 GLOCWMARVNKAMD-DOMZBBRYSA-N 341.864 2.813 30 50 EFEA CN1CCN(Cc2ccccc2C#Cc2ccccc2)C[C@@H]1CCO 20540609 XPFNDXNYPUZTHQ-QFIPXVFZSA-N 334.463 2.585 30 50 EFEA N#Cc1ccccc1NC(=O)CCN1C[C@H](O)C[C@H]1C1CCCCC1 230148790 JTLNTEVGBGYMRH-MJGOQNOKSA-N 341.455 2.902 30 50 EFEA O/C(=N/[C@@H]1CCO[C@H]1C1CC1)N1CCC(Cc2cccnc2)CC1 329129499 WAWIOKLUPPSIRU-MSOLQXFVSA-N 329.444 2.818 30 50 EFEA Cn1ccnc1C(=O)[C@H](C#N)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 245915027 FFUSCMCEDZLZGD-MELADBBJSA-N 327.771 2.769 30 50 EFEA C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@H]1CCCN(C)C1 246169644 PMUZYQWUEJTQFV-KBPBESRZSA-N 348.878 2.812 30 50 EFEA Cn1cc(C#N)cc1C(=O)NCCN1CCC[C@H](c2ccccc2)C1 216208361 IRIOLOFEDXFOEY-SFHVURJKSA-N 336.439 2.506 30 50 EFEA Cc1ccc(-c2nnn(C)n2)cc1-n1ccnc1-c1cccc(C#N)c1 77440345 WTTTUXRROHJGBL-UHFFFAOYSA-N 341.378 2.910 30 50 EFEA CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1C[C@H](O)c1ccccc1 245338787 ONXQAFOXRPXIEX-BJLQDIEVSA-N 343.471 2.629 30 50 EFEA C/C(O)=N/C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 328605482 NYYFOZHMASFOBP-YVEFUNNKSA-N 330.363 2.507 30 50 EFEA Cn1cc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)CCc2ccoc2)cn1 328627005 FPYASSDRCQADPU-HOTGVXAUSA-N 334.395 2.515 30 50 EFEA N#Cc1ccc([C@H]2C[C@H](N[C@H]3CCN(CC(F)(F)F)C3=O)C2)cc1 2325777275 RHOGFOHNKJOVPX-KKUMJFAQSA-N 337.345 2.557 30 50 EFEA C#CCCC1(CCC(=O)Nc2nc(C(C)(C)C(=O)OC)cs2)N=N1 2325892659 VYQPVIKBJADTQB-UHFFFAOYSA-N 348.428 2.888 30 50 EFEA C=CCn1c(SCc2cc(O)n[nH]2)nc2sc(CC)cc2c1=O 4911328 VUXSDPLIVLDVJE-UHFFFAOYSA-N 348.453 2.927 30 50 EFEA C=CCn1nc(C)c([C@@H]2CC(=O)NCc3nc4cc(C)ccn4c32)c1C 65525868 STFOSKFRQFTSNL-HNNXBMFYSA-N 349.438 2.794 30 50 EFEA CN(Cc1ncccn1)[C@@H]1CCN(c2ccc3cc(C#N)ccc3n2)C1 365961843 KQMFJATZYIFPKR-QGZVFWFLSA-N 344.422 2.607 30 50 EFEA Cc1occc1/C(O)=N/[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 328607116 UOOFOYCFGWKFFK-UONOGXRCSA-N 332.404 2.895 30 50 EFEA N#Cc1ccc(OCc2cccc(C(=O)N3C[C@@H](O)C4(CC4)C3)c2)cc1 368786341 JQDDMCRGPNDBDH-LJQANCHMSA-N 348.402 2.734 30 50 EFEA N#Cc1ccc(N2CCC[C@H](N3CC[C@@H]4OCCC[C@H]4C3)C2=O)cc1 245513657 APDCWCWSQIUAHT-WDSOQIARSA-N 339.439 2.555 30 50 EFEA CC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 257355836 CXDWHYOBSJTRJU-CJAFCWQJSA-N 346.467 2.809 30 50 EFEA C#CCN1CCC(C(=O)N[C@@H](C)CSc2ccc(C)cc2)CC1 187603463 OCJUFORIKAESMM-INIZCTEOSA-N 330.497 2.937 30 50 EFEA C=C(C)CN1CCC(NC(=O)NCCc2ccc(F)c(F)c2)CC1 189391100 PXRNHNQANUASCB-UHFFFAOYSA-N 337.414 2.847 30 50 EFEA Cc1csc(NC2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)n1 225497891 XAYSWOBZBGGOBY-UHFFFAOYSA-N 342.424 2.746 30 50 EFEA CCC(CC)n1ncc(/C(O)=N/[C@H](C)/C(O)=N/CCN(C)C)c1C 328593506 CMRDNOMTFMIRPM-GFCCVEGCSA-N 337.468 2.764 30 50 EFEA C#CCCC1(CCC(=O)NC[C@H](Cc2ccc(F)cc2)C(=O)O)N=N1 2325901151 VXBOISMWSCVYMZ-AWEZNQCLSA-N 345.374 2.541 30 50 EFEA C#CCN(Cc1ccco1)C(=O)[C@H]1CC(=O)Nc2ccc(F)cc21 65461247 DQXHOXIIIYRRTF-HNNXBMFYSA-N 326.327 2.507 30 50 EFEA C=CCOc1cccc(C(=O)N[C@@H]2CC(=O)N(CC(C)(C)C)C2)c1 12466901 XUQLDNKPKDAXRU-OAHLLOKOSA-N 330.428 2.628 30 50 EFEA C=CCN[C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 14732530 MFJOOQNFQSRVMD-MRXNPFEDSA-N 344.503 2.798 30 50 EFEA C#CCCC1(CCC(=O)Nc2cc(C(N)=O)ccc2NC2CC2)N=N1 2325894792 QBTHSXUYYGWHHF-UHFFFAOYSA-N 339.399 2.654 30 50 EFEA CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC1 245289939 GFKRJPYJODACSO-ZVZYQTTQSA-N 347.409 2.761 30 50 EFEA CC[C@@H](Oc1ccccc1)C(=O)O/N=C(\N)c1ccc(OC)cc1 4685122 KHGBUAYYFBJOQD-MRXNPFEDSA-N 328.368 2.716 30 50 EFEA COc1cccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)c1O 20102653 JLYYXAWEYZAXRF-KGENOOAVSA-N 339.439 2.861 30 50 EFEA CCO[C@H](/C(O)=N/C1CC(N(CC)CC(=O)O)C1)c1ccccc1 328641735 QTYBNMQNEPFKRS-DQPZFDDXSA-N 334.416 2.658 30 50 EFEA CCN(CC(=O)O)C1CC(/N=C(/O)[C@H]2CSc3ccccc32)C1 328623651 CAMOKXJFALGEAV-YIZWMMSDSA-N 334.441 2.770 30 50 EFEA Cc1sc(NC(=O)C(C)(C)S(=O)(=O)C2CC2)c(C#N)c1C 328851092 UWNZVYJTVSJLLK-UHFFFAOYSA-N 326.443 2.531 30 50 EFEA N#CC1(CS(=O)(=O)N2CCC[C@@H](c3ccccc3)C2)CCOCC1 952965204 ZMBATDHROSGMNY-QGZVFWFLSA-N 348.468 2.516 30 50 EFEA COc1ccc(-n2cnnc2)cc1NC(=O)c1cc(F)cc(C#N)c1 952970974 IGCQYHXLDWSFFF-UHFFFAOYSA-N 337.314 2.539 30 50 EFEA N#Cc1cc(C(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)ccn1 281957029 TUAVOZHYWWMDAX-LLVKDONJSA-N 349.316 2.715 30 50 EFEA C=CCOc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 4986115 OWGPFWJXFNKEGD-UHFFFAOYSA-N 337.379 2.694 30 50 EFEA C=CCc1c(C)nc(Nc2nc(C)c3cccc(OC)c3n2)[nH]c1=O 9288057 VMCRXSAFKPEDCD-UHFFFAOYSA-N 337.383 2.811 30 50 EFEA CC(=O)c1ccc(-n2nc(C)c(B3OC(C)(C)C(C)(C)O3)c2C)cc1 170005638 ZSDIYUZGHCKOPN-UHFFFAOYSA-N 340.232 2.991 30 50 EFEA COc1ccc([C@@H](O)[C@H]2CCCN2C(O)=Nc2ccccn2)cc1 328587179 CXYQCYCXVISFKH-NVXWUHKLSA-N 327.384 2.834 30 50 EFEA N#Cc1ccc(-c2nnc(CN3C[C@@H](CO)Cc4ccccc43)o2)cc1 366428800 DMZJCNWMIJPGND-HNNXBMFYSA-N 346.390 2.779 30 50 EFEA Cc1ccc(C#N)c(N2CCC[C@@H](Cc3nnc4ccccn34)C2)n1 372002412 GUHRXTQVRKYEJG-HNNXBMFYSA-N 332.411 2.764 30 50 EFEA CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2ccc(F)cc2C#N)C1 1775957185 HTQYSWGKHRGFJE-PKOBYXMFSA-N 341.386 2.761 30 50 EFEA O/C(=N/[C@@H]1CCN(c2ncccc2Cl)C1)[C@H]1CCn2cncc2C1 328957735 PJUAYTVIHRNVBN-QWHCGFSZSA-N 345.834 2.729 30 50 EFEA CC(C)C[C@@]1(CO)CCCN1C(O)=Nc1cn(C)nc1C(F)(F)F 331053346 ZNMQBEKEGKXMAA-CQSZACIVSA-N 348.369 2.857 30 50 EFEA N#Cc1nccnc1N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 2356135991 BOUGOJNONDOJPH-KDOFPFPSSA-N 331.379 2.566 30 50 EFEA COC(=O)C1=C(C)NC(C)=C(C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 4529640 XBMJSLDVNZOWGN-INIZCTEOSA-N 330.340 2.592 30 50 EFEA C=CCn1c(=O)c(C(=O)Nc2nccs2)c(O)c2ccccc21 100682692 KZDRPIVEHVRWMC-UHFFFAOYSA-N 327.365 2.602 30 50 EFEA in-vitro Cc1cc(Br)c(S(=O)(=O)N[C@]2(C#N)CC2(C)C)s1 290992386 UDVSTMQHDSRXNP-NSHDSACASA-N 349.275 2.790 30 50 EFEA Cc1cccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1C#N 181149252 ZSFSHVKJGBNTRR-UHFFFAOYSA-N 338.392 2.853 30 50 EFEA C=C(C)Cn1c(-c2c[nH]nc2C)nnc1N1CCC(C)(COC)CC1 1775985649 DFJIAHJOLKATAJ-UHFFFAOYSA-N 344.463 2.806 30 50 EFEA CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CCOCC2)n1 5607417 KZRVLKSQISVJHX-UHFFFAOYSA-N 326.425 2.882 30 50 EFEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c(OCC)cccc1[N+](=O)[O-] 253429500 DRVSZGCVHFEPJF-BLLLJJGKSA-N 334.372 2.705 30 50 EFEA Cc1cc(C)c(C#N)c(N[C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)n1 72146059 MFXRURSKPVFRRV-KRWDZBQOSA-N 346.434 2.750 30 50 EFEA Cc1ccc(S(=O)(=O)OC[C@@H](C)NC(=O)OC(C)(C)C)cc1 39419747 KLEPSZKPAIHWIS-GFCCVEGCSA-N 329.418 2.614 30 50 EFEA in-vitro Cc1cnn(C[C@@H]2CN(c3ccc4cc(C#N)ccc4n3)CCO2)c1 161973626 WXYUZDGSOFWBSS-KRWDZBQOSA-N 333.395 2.517 30 50 EFEA C=CCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccn(C)n3)nc21 20604647 YNKMTFSAJKHUAN-UHFFFAOYSA-N 349.366 2.978 30 50 EFEA CCOc1ccc(NC(=O)NCc2nnc(CC)s2)cc1C#N 97295073 JGXYLANSOYZHRJ-UHFFFAOYSA-N 331.401 2.693 30 50 EFEA C=CCOc1ccccc1CN(CC)C(=O)[C@@H](N)c1c(C)n[nH]c1C 91665246 KQQHNKVIUUIYEZ-SFHVURJKSA-N 342.443 2.640 30 50 EFEA Cc1ccc(NC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cc1C#N 299761724 NFAIFDAAULARAO-SFHVURJKSA-N 342.443 2.632 30 50 EFEA Cc1ccc(S(=O)(=O)OCCNC(=O)OCc2ccccc2)cc1 38793168 NJNKTPXABYMFJM-UHFFFAOYSA-N 349.408 2.627 30 50 EFEA N#CCSCC(=O)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 242302063 YPGSMVAHJBAWNR-GWCFXTLKSA-N 344.358 2.596 30 50 EFEA C#CCCC1(CCC(=O)NC2CCN(c3ccncc3)CC2)N=N1 952882336 PQYTUWDDHMTUDH-UHFFFAOYSA-N 325.416 2.522 30 50 EFEA C[C@H](c1cccc(C#N)c1)N1CCN(C(=O)c2ccc(O)cc2)CC1 186359626 ALTXNWHLMSIEKZ-OAHLLOKOSA-N 335.407 2.783 30 50 EFEA Cc1ncc(CN(C)C(O)=Nc2cn(C)nc2C(F)(F)F)s1 331323754 MORGSKUMJJPYRI-UHFFFAOYSA-N 333.339 2.881 30 50 EFEA Cc1cc(N2CCN(CC#N)CC2)n2nc(C)c(-c3ccccc3)c2n1 20589532 BLJUNSWXDCRUMJ-UHFFFAOYSA-N 346.438 2.659 30 50 EFEA CSCCC/N=C(/O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328629326 OQUSFGYMWVBOSI-HOTGVXAUSA-N 336.505 2.673 30 50 EFEA CS(=O)(=O)C1(/C(O)=N/CCC2=CCCCCC2)CCOCC1 329124776 LZTHNJBDYPXAIG-UHFFFAOYSA-N 329.462 2.817 30 50 EFEA N#Cc1cccc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)c1 72170062 ZOSKLWNFWITHSX-NRFANRHFSA-N 345.446 2.874 30 50 EFEA CC(=O)N1C[C@H](NCc2ccc(C#N)cc2)CC[C@H]1C(F)(F)F 886031151 ZICFGEYNZZVWIZ-CABCVRRESA-N 325.334 2.590 30 50 EFEA COC(=O)c1cc(Cl)cc2cc(B3OC(C)(C)C(C)(C)O3)cnc12 1772572654 KQULSYWXSIYSPZ-UHFFFAOYSA-N 347.607 2.974 30 50 EFEA C=CCC1(CC=C)CCCCN1C(=O)c1cn(C[C@H]2CCCO2)nn1 11874122 VQWPTRHACYVHFQ-MRXNPFEDSA-N 344.459 2.974 30 50 EFEA O=C(C1CC1)N1CCCN(/C(O)=N/CC2CCC(F)(F)CC2)CC1 328586543 BHTDGHKJZJYUQR-UHFFFAOYSA-N 343.418 2.670 30 50 EFEA CC(=O)c1c(F)cccc1N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 240412638 FNNBDJRPLTXWPC-XCLFUZPHSA-N 349.365 2.878 30 50 EFEA Cn1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c2ccccc21 245226974 UPHRIRMXYZVLDE-JLZSVDHQSA-N 345.402 2.565 30 50 EFEA CN(C)c1ccc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2C)cc1 71311762 UVEXKDRABTUKJL-PBHICJAKSA-N 333.439 2.960 30 50 EFEA C=CCN1C(=O)COc2ccc(NC(=O)c3ccc(F)cc3)cc21 12127856 FKVQTCQKMQAMNG-UHFFFAOYSA-N 326.327 2.989 30 50 EFEA N#CC1(C#N)[C@@H](c2ccncc2)O[C@@]23CCCCC[C@H]2[C@@]1(C#N)C(=N)O3 208159744 LTEPMQYWZQIEHW-QGWWYQLQSA-N 347.378 2.981 30 50 EFEA C=C(C)CN1CCC(NC(=O)N2CCO[C@H](c3cccs3)C2)CC1 159339732 RZVAWZCVGDVMSA-INIZCTEOSA-N 349.500 2.872 30 50 EFEA C#CCCC1(CCC(=O)N2CC[C@@H]3C[C@H](C(=O)O)CC[C@H]3C2)N=N1 2325901033 QYDKYFXGLPZHGL-KFWWJZLASA-N 331.416 2.692 30 50 EFEA N#Cc1ccc(OCc2ncccn2)c(I)c1 253397004 QWVCOECUQZEYNN-UHFFFAOYSA-N 337.120 2.532 30 50 EFEA CCc1nc(N=C(O)N[C@@]2(CO)CCOc3ccccc32)sc1C 328587581 CBENOSRXTBQNLN-QGZVFWFLSA-N 347.440 2.819 30 50 EFEA Cc1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c(O)c1 123509141 WWKZIZJCPWRBAJ-GOSISDBHSA-N 335.407 2.723 30 50 EFEA O/C(=N/CCc1cn2c(n1)SCC2)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 329805263 MUYHPWUGSLJMLB-MBEZOWKRSA-N 346.500 2.860 30 50 EFEA CC(=O)C1=C(Sc2ccc(C)cc2)CS(=O)(=O)/C1=C/N(C)C 12955061 PDLKNBIWZVNKOH-OQLLNIDSSA-N 337.466 2.762 30 50 EFEA N#C[C@H]1N(C(=O)c2nc3cccnc3s2)CCC[C@]12CCCCO2 239672569 BTXHRXZOIJGPLE-CXAGYDPISA-N 342.424 2.759 30 50 EFEA C=CCn1cc(-c2cc(-c3cccc(C(=O)O)c3)nc(N)c2C#N)cn1 71767921 XQDDAGQZQBTQFC-UHFFFAOYSA-N 345.362 2.950 30 50 EFEA CO[C@H]1C[C@@H](CN2CCCC2)N(c2ncc(Cl)c(C)c2C#N)C1 286434300 PTYHVRCOUOINAA-KBPBESRZSA-N 334.851 2.605 30 50 EFEA C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 161069332 WTCBBNHCMYAACB-NSHDSACASA-N 330.363 2.622 30 50 EFEA N#C[C@H]1CC(F)(F)CN1C(=O)c1nn(-c2ccccc2)c2c1CCC2 1875367952 CWXIFEUYPPBGOP-CYBMUJFWSA-N 342.349 2.734 30 50 EFEA N#Cc1cc(N2CCN(C[C@H]3CCOC3)CC2)ccc1C(F)(F)F 170596644 GUTUNWRJNVZQAM-CYBMUJFWSA-N 339.361 2.736 30 50 EFEA COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC(F)(F)F 200043004 ABQURIWFQPWOTQ-UHFFFAOYSA-N 346.110 2.671 30 50 EFEA C=CCN1C(=O)[C@@](O)(CC(=O)c2ccco2)c2cc(Cl)ccc21 5245292 DCSPFKRJPMATFO-QGZVFWFLSA-N 331.755 2.926 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H]2CCC[C@@H]2Cc2cc(C)nn2C)N=N1 2325886328 MMZSOFBJVHGLCN-NVXWUHKLSA-N 341.459 2.912 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)COc2ccccc2Cl)cc1 4725322 PUYBTWFYQDLCOW-UHFFFAOYSA-N 334.759 2.591 30 50 EFEA Cc1cc(C)n([C@@H](C)CNC(=O)c2cccc(C#CC(C)(C)O)c2)n1 65370527 YCSSYWSMTFOIJR-INIZCTEOSA-N 339.439 2.613 30 50 EFEA O=S(=O)(c1ccsc1)N1CCC[C@@H]1C(O)=Nc1nccs1 329027698 AABFNUKJKOMLEF-SNVBAGLBSA-N 343.455 2.646 30 50 EFEA N#C[C@H]1CN(C(=O)c2cc(F)ccc2-c2ccoc2)CCN1C1CC1 369376193 SMMDZUVDYZSKCX-INIZCTEOSA-N 339.370 2.898 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)N=N1 952882274 UAHFIDGNNNHXBE-MRXNPFEDSA-N 338.411 2.654 30 50 EFEA N#Cc1ccc2nc(N[C@@H]3C[C@@H](Cn4cccn4)C[C@H]3O)ccc2c1 1875399267 UMYQCHHYPQOYJC-ZTFGCOKTSA-N 333.395 2.555 30 50 EFEA C[C@]1(C(F)(F)F)C[C@@](O)(C(F)(F)F)C[C@@](O)(C(F)(F)F)O1 169526943 ZHZPKMZKYBQGKG-SRQIZXRXSA-N 336.150 2.662 30 50 EFEA in-vitro C=CCc1cccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c1O 437337 PSPOVSQXQURTCK-LDADJPATSA-N 330.409 2.742 30 50 EFEA CCOc1ccccc1/C=N/n1c(S)nnc1-c1ccncc1 1253926 YPUHKRPVVPVRDP-WOJGMQOQSA-N 325.397 2.910 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 100102084 GEDBZJDRNZKIPJ-KRWDZBQOSA-N 341.363 2.556 30 50 EFEA CCN(CCc1nccs1)[C@H]1CCN(c2sccc2C#N)C1=O 121042681 CTMNNMFSTTWORA-ZDUSSCGKSA-N 346.481 2.746 30 50 EFEA COc1ccc(Br)c(B2OC(C)(C)C(C)(C)O2)c1F 170170843 WJGGNVJNZKPOLO-UHFFFAOYSA-N 330.990 2.896 30 50 EFEA NC(=S)C(=NNc1cc(Cl)ccc1Cl)C(=O)N1CCCC1 254761838 JMMYNKQHMMBVIA-UHFFFAOYSA-N 345.255 2.670 30 50 EFEA N#Cc1ccc(OS(=O)(=O)C2(Br)CC2)c(Cl)c1 1875275549 PXXIQYGUUPGJRI-UHFFFAOYSA-N 336.594 2.805 30 50 EFEA C#CCCC1(CCC(=O)N2CCP(=O)(c3ccccc3)CC2)N=N1 1875382096 QRKVPFMJSNYQAH-UHFFFAOYSA-N 343.367 2.873 30 50 EFEA CC(C)c1nnc([C@H]2CN(Cc3cccc(C#N)c3F)CCO2)o1 332365518 UDGHXQZVAWMJNK-CQSZACIVSA-N 330.363 2.777 30 50 EFEA C#CCCC1(CCC(=O)NCc2ncc(Cc3ccccc3)n2C)N=N1 2325892840 JNCZZVVUNIOLIW-UHFFFAOYSA-N 349.438 2.983 30 50 EFEA O/C(CCCc1ccccn1)=N/[C@H]1CCCN(c2nccnc2O)C1 328630114 JAQFBWLTCNJCHB-HNNXBMFYSA-N 341.415 2.525 30 50 EFEA N#Cc1cc(F)cc(C(=O)N[C@H]2CC(=O)N(CC3CCCCC3)C2)c1 72148515 LMSOBEGDEBHEQD-KRWDZBQOSA-N 343.402 2.608 30 50 EFEA Cc1noc(C)c1CCCNC1CCN(c2ccc(C#N)cn2)CC1 95497641 ZXTVZJNCSJALTJ-UHFFFAOYSA-N 339.443 2.749 30 50 EFEA O=C(C#Cc1ccc(F)cc1F)NCCc1nc2ccccc2[nH]1 408513997 XAAOSUXOPQJFJC-UHFFFAOYSA-N 325.318 2.552 30 50 EFEA COc1ccccc1N1CCN(/N=C\c2ccc([N+](=O)[O-])cc2)CC1 4482747 AIABCCLQLAWZCM-RGEXLXHISA-N 340.383 2.760 30 50 EFEA C=C(Cl)CN(CCC(C)(C)O)S(=O)(=O)c1ccc(C)cc1 3053548 JQACJROAUSLYJL-UHFFFAOYSA-N 331.865 2.899 30 50 EFEA CCCCCCCCCCNC(=O)C[n+]1cccc(C(=O)N(C)C)c1 100857679 YNGZMTITZHMCPM-UHFFFAOYSA-O 348.511 2.933 30 50 EFEA C=CCC1(CC=C)CCCN1C(=O)c1cn(C[C@H]2CCCO2)nn1 12714476 HWHNAIUCUMENJW-OAHLLOKOSA-N 330.432 2.584 30 50 EFEA CCn1cc(CN2CCN(c3ccc(Cl)cn3)CC2)cc1C#N 72154010 OQTXNCIMYLVQQD-UHFFFAOYSA-N 329.835 2.750 30 50 EFEA N#Cc1cccnc1N1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 299796803 OMSHBYXZUFDFSW-RBUKOAKNSA-N 346.434 2.842 30 50 EFEA N#CCCCNC(=O)c1ccc(Br)nc1C(F)(F)F 1775998694 GVYKMHPAICXKEF-UHFFFAOYSA-N 336.111 2.896 30 50 EFEA CC1(C)OB(c2ccc(I)cc2)OC1(C)C 169746024 ACCWXFPZHMACEN-UHFFFAOYSA-N 329.974 2.590 30 50 EFEA in-vitro COc1ccsc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 171707970 ONHOGBBGZQKPRE-UHFFFAOYSA-N 345.399 2.730 30 50 EFEA C=CCNC(=O)N1CC[C@@]2(CCCN(Cc3cccc(C)c3)C2=O)C1 12711217 MEPLYWKTQWYFGR-FQEVSTJZSA-N 341.455 2.705 30 50 EFEA C=CCN1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(C)c(F)c2)C1=O 252485441 GVRBLCGESQYBQN-BBRMVZONSA-N 333.407 2.623 30 50 EFEA N#Cc1ccc([C@H]2C[C@H](N[C@@H]3CCN(CC(F)(F)F)C3=O)C2)cc1 2325777276 RHOGFOHNKJOVPX-RBSFLKMASA-N 337.345 2.557 30 50 EFEA Cc1nc(CN2C[C@@H](F)C[C@H]2CNCc2ccc(C#N)o2)cs1 348863818 BDOYJUMONIATBD-JSGCOSHPSA-N 334.420 2.618 30 50 EFEA N#Cc1c(N)nc2c(c1-c1cccc3c1OC(F)(F)O3)COCC2 71714872 WBPSHJBGNUDECM-UHFFFAOYSA-N 331.278 2.597 30 50 EFEA CN1[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-c3ccc(C#N)nc3)cc1)CC2 426471333 INHPZKWYHBQKNT-VQTJNVASSA-N 346.434 2.929 30 50 EFEA Cc1ccc(S(=O)(=O)O[C@@H]2[C@H]3[C@H]4S[C@@H]5[C@H]6[C@H]4C[C@H]3[C@H]6[C@H]25)cc1 248009782 IJOQHVCJLFLQPZ-PBEASOQCSA-N 334.462 2.695 30 50 EFEA Cc1cccc(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 124130581 BHYOPLGWHSMFKP-KRWDZBQOSA-N 335.411 2.632 30 50 EFEA COC(=O)c1cccc(Cn2cc(-c3ccc(OC)cc3)nn2)c1C#N 2325820874 YSDSDDDHJKMTLE-UHFFFAOYSA-N 348.362 2.660 30 50 EFEA C#CCCC1(CCC(=O)N2CCN[C@@H](c3ccc(OC)cc3)C2)N=N1 2325892180 CYMNYPZOGKUGSY-QGZVFWFLSA-N 340.427 2.524 30 50 EFEA COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1F 2500705 FUEIPQMJCLUJET-AWEZNQCLSA-N 345.370 2.926 30 50 EFEA C=CCn1cc(CN2CC=C(n3c(=O)[nH]c4ccccc43)CC2)c(C)n1 55269713 KHZRYCLCYLFQBB-UHFFFAOYSA-N 349.438 2.767 30 50 EFEA C#CCN(Cc1ccc(C)cc1)C(=O)CCC(=O)NC1CCCC1 55405161 SCYPGUJXBDDDSY-UHFFFAOYSA-N 326.440 2.796 30 50 EFEA CCN1CCC[C@@H](CN(C)c2ccnc(C#N)c2)[C@@H]1c1cnn(C)c1 376383485 OBDRQGNWVDFGMH-HNAYVOBHSA-N 338.459 2.596 30 50 EFEA N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)CSc1ccccc1 4986264 GPTBCLBBTCTQKG-UHFFFAOYSA-N 345.380 2.745 30 50 EFEA C=CCOc1c(Cl)cc(CNn2cn[nH]c2=S)cc1OC 6603455 VIJSSYXFKLLPKR-UHFFFAOYSA-N 326.809 2.911 30 50 EFEA C=CCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 10360425 DCACISLIEOYWHG-UHFFFAOYSA-N 330.409 2.712 30 50 EFEA CCOC(=O)c1sc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1N 170007813 ZDIZNQRELJHJLE-UHFFFAOYSA-N 347.245 2.959 30 50 EFEA C[C@@H]1OCC[C@@H]1/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328637439 VYSYTUYBEQCWGM-AXFHLTTASA-N 331.338 2.846 30 50 EFEA CCc1nccn1[C@H]1CCCN(C(O)=Nc2ncc(OC)s2)C1 329243126 OTCZZXMSMKHCON-NSHDSACASA-N 335.433 2.793 30 50 EFEA CN(CCc1cnn(C)c1)[C@H](C(=O)O)c1ccc(C(C)(C)C#N)cc1 95388817 YZBIJEHALLRFNG-KRWDZBQOSA-N 340.427 2.521 30 50 EFEA N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)cc1 183240241 JPKZBEQQOUSBEB-MRXNPFEDSA-N 346.383 2.539 30 50 EFEA Cc1cccc(-c2noc(CCCC(=O)Nc3[nH]cnc3C#N)n2)c1 1940197483 UIULMCVIZPCUCT-UHFFFAOYSA-N 336.355 2.601 30 50 EFEA Cc1ccc(CNC(=O)[C@@H]2C[C@@]2(C(=O)O)c2ccccc2)cc1C#N 899840938 KCSNXUOUZHNWEY-FXAWDEMLSA-N 334.375 2.525 30 50 EFEA N#Cc1cc(F)c(N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)c(F)c1 1775958412 XTFYXINARGAQCQ-LSDHHAIUSA-N 336.338 2.685 30 50 EFEA COc1cc(Br)ccc1C(=O)N1CCSC[C@H]1C#N 271683765 CMFMCCJPMXTVTB-SNVBAGLBSA-N 341.230 2.539 30 50 EFEA C#CCOc1ccccc1/C=N/NS(=O)(=O)c1ccc(Cl)cc1 2997067 POCLTGIZUWMBKC-LDADJPATSA-N 348.811 2.664 30 50 EFEA N#CCCN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 122104303 FOEPBWIHCLYZFS-UHFFFAOYSA-N 349.343 2.843 30 50 EFEA O/C(Cc1n[nH]c2ccccc12)=N/[C@@H]1CCOC2(CCOCC2)C1 329412632 ATRQJXVVFIZUMN-CYBMUJFWSA-N 329.400 2.790 30 50 EFEA CCOCCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 368599432 ZNYJBWALXLTTEF-UHFFFAOYSA-N 349.862 2.971 30 50 EFEA C=CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3C)cc1OC 72117583 DGIVJIQYZHUCDD-ZDUSSCGKSA-N 327.384 2.776 30 50 EFEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1cc(C)oc1C)CC2 91636335 ARHNSGPACZDYIF-UHFFFAOYSA-N 330.428 2.927 30 50 EFEA Cn1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c2ccccc21 253390245 UPHRIRMXYZVLDE-HAGXJWPFSA-N 345.402 2.565 30 50 EFEA O=S(=O)(N/N=C\c1ccc(O)c(O)c1)c1ccc2ccccc2c1 32575684 GIAJAFSCFZCNPY-WQRHYEAKSA-N 342.376 2.563 30 50 EFEA Cc1c(Cl)cnc(NCc2nnc([C@H]3CCCOC3)o2)c1C#N 886079003 AYRJGVWYEIYHDQ-JTQLQIEISA-N 333.779 2.804 30 50 EFEA Cc1nc(NC(N)=S)sc1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 5678646 FYGMLLCYSLYVSV-AATRIKPKSA-N 348.409 2.911 30 50 EFEA N#Cc1ccc(N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)nc1 1857667822 LWRSCZUGXUCOMJ-FQEVSTJZSA-N 347.422 2.811 30 50 EFEA N#Cc1ccc(Nc2cccc(C(=O)N3CC[C@H](CC(N)=O)C3)c2)cc1 377161725 ILTXFLLMEAKYHL-OAHLLOKOSA-N 348.406 2.639 30 50 EFEA C#CCCC1(CCNC(=O)[C@@H](N)[C@@H](c2ccccc2)C(C)C)N=N1 2325900832 KSRDPAFREYSARH-SJORKVTESA-N 326.444 2.835 30 50 EFEA C=CCN1CCN(Cc2ccc(OC(F)(F)F)cc2)CCC1=O 59331455 HPRVLSRATDURAN-UHFFFAOYSA-N 328.334 2.806 30 50 EFEA C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H]1c1cnn(C)c1 245859857 QOZBJCQQMSGXSJ-MOPGFXCFSA-N 341.455 2.725 30 50 EFEA O=C(c1ccccn1)[C@H]1CCCN(Cc2cc(C#CCO)cs2)C1 952986882 GSOFRTOUWJYKEB-INIZCTEOSA-N 340.448 2.582 30 50 EFEA CN(Cc1ccc(C#CC(C)(C)O)cc1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529126098 ZAPBYKJLNJVIMA-FGYAAKKASA-N 327.468 2.790 30 50 EFEA CCc1oc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1C 367842553 XRWJGXUHYNEMIW-AWEZNQCLSA-N 325.368 2.711 30 50 EFEA COc1cc(C(=O)ON=C2CCSCC2)cc(OC)c1OC 192184 XKQRKJMCSAZVGT-UHFFFAOYSA-N 325.386 2.752 30 50 EFEA CC(=O)Nc1cc(C2=CCCN(Cc3cccc(C#N)c3)C2)nn1C 65529514 WCPGZFUWCNPNCF-UHFFFAOYSA-N 335.411 2.539 30 50 EFEA N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1ccc(-c2cnccn2)cc1 152290780 RNEUBQPELKRYHQ-KRWDZBQOSA-N 348.406 2.915 30 50 EFEA N#CCCN(C(=O)[C@H]1CC12CCOCC2)c1ccc2c(c1)OCCO2 253432192 JCPXUUMOLHEJKR-OAHLLOKOSA-N 342.395 2.521 30 50 EFEA N#Cc1ccc(NC2CC2)c(NC(=O)c2ccnc(-n3ccnc3)c2)c1 242324465 ZBMMFHJIYJMQLY-UHFFFAOYSA-N 344.378 2.966 30 50 EFEA N#Cc1ccc(N2CC[C@H](N3CCO[C@H](c4ccccc4)C3)C2=O)cc1 298276553 KMSWAXCXJYHTFM-PMACEKPBSA-N 347.418 2.737 30 50 EFEA N#Cc1c(NC(=O)C[C@@H]2OCCc3ccsc32)nc2n1CCS2 1875259222 GJYCEMYQAHETET-NSHDSACASA-N 346.437 2.565 30 50 EFEA CCON1CCC(CC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 408523099 OXAVSEIBLLEZFC-UHFFFAOYSA-N 327.428 2.717 30 50 EFEA C=CCn1cc(CNC[C@@H](c2cccnc2)N2CCCC2)c(C)n1 55283407 OEDGOSUDGOSTRB-IBGZPJMESA-N 325.460 2.699 30 50 EFEA C=C(C)COc1ccccc1C(=O)NCCC(=O)Nc1nccs1 55168078 GLRQPWLVAWKDKO-UHFFFAOYSA-N 345.424 2.857 30 50 EFEA N#Cc1cccc(N2CCC[C@](CO)(Cc3ccc(F)cc3)C2)n1 67804776 JGOUDEDHNRZZME-IBGZPJMESA-N 325.387 2.914 30 50 EFEA CO[C@@H](C)CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 367340056 SOUSAPRBJOUTJI-ZDUSSCGKSA-N 349.862 2.969 30 50 EFEA C[C@]1(Cc2ccccc2)CCCN1S(=O)(=O)c1cccnc1C#N 240333711 FEXOZFIIJKMQRN-GOSISDBHSA-N 341.436 2.739 30 50 EFEA N#Cc1ccc(I)c(OCc2ncccn2)c1 241776818 RSXZALISDKULNI-UHFFFAOYSA-N 337.120 2.532 30 50 EFEA COC[C@H](C)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 342606245 KFVBTCGKOCLMBL-ZDUSSCGKSA-N 349.862 2.969 30 50 EFEA N#Cc1cccc(N2CCC(c3nccn3Cc3ccncc3)CC2)n1 91643880 LASXGMARGUHKHJ-UHFFFAOYSA-N 344.422 2.977 30 50 EFEA N#Cc1cccc(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)c1 952848380 LSAGMMZYTDSSJH-SJORKVTESA-N 347.422 2.820 30 50 EFEA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@H](CC#N)c1ccccc1 408514267 SDACAFWPBIBADE-HUUCEWRRSA-N 329.400 2.767 30 50 EFEA C=CCOc1ccc(C(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)cc1OC 408520251 YAFUDCSNCLSFBX-HOTGVXAUSA-N 343.423 2.901 30 50 EFEA CN(CC#N)Cc1cccc(Br)c1OC[C@@H]1CCCO1 190510163 ZQLFMZNTIRQBQG-ZDUSSCGKSA-N 339.233 2.962 30 50 EFEA N#C[C@@H]1CN(Cc2ccc(OCc3ccncc3)cc2)CCN1C1CC1 363499876 PLYQTBMVILBQMP-HXUWFJFHSA-N 348.450 2.833 30 50 EFEA N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(F)c(F)c3)C2)nc1 367829430 KJYHOUYIKDNVCS-ZDUSSCGKSA-N 329.306 2.525 30 50 EFEA N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@H](C(=O)O)C2)cc1 263245450 OGLYNXSMVWVWGN-KRWDZBQOSA-N 349.390 2.841 30 50 EFEA N#Cc1ccc(S(=O)(=O)Nc2ccc(CCCC(=O)O)cc2)cc1 134618569 JVQXIPWARJQMKG-UHFFFAOYSA-N 344.392 2.766 30 50 EFEA CCn1c([C@@H](C)N[C@H](C(N)=O)c2ccc(C#N)cc2)nc2ccccc21 119427986 YFPINJBQNOONOT-ACJLOTCBSA-N 347.422 2.805 30 50 EFEA COc1ccccc1/C=N/c1cnn(C)c1C(=O)NCc1ccco1 2797854 FINPULSFZIFKII-VXLYETTFSA-N 338.367 2.702 30 50 EFEA COCCOc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1C 253424941 YHRHVAAKTMBAQB-UHFFFAOYSA-N 346.408 2.693 30 50 EFEA COc1cc(OC)c(NC(=O)C(C)(C)C#N)cc1Br 162014563 AIIDMFPHPUKHBU-UHFFFAOYSA-N 327.178 2.955 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H]2CCN(c3cccc(OC)c3)C2)N=N1 952883316 YTQWSOOYQUXMAH-OAHLLOKOSA-N 340.427 2.746 30 50 EFEA N#Cc1ccc(Br)nc1N[C@H]1CCN(c2ccccn2)C1 952994415 UHJSBYFSRPLCKY-LBPRGKRZSA-N 344.216 2.802 30 50 EFEA O=C(C#CC1CC1)NCCN=[S@](=O)(c1ccccc1)C(F)(F)F 952993968 MLKNUIHGHCHJAZ-QHCPKHFHSA-N 344.358 2.563 30 50 EFEA C/C(C[C@]1(O)C(=O)Nc2ccccc21)=N\Nc1ccc([N+](=O)[O-])cc1 5289597 YXZFQRVVVRVMFZ-HDZGYNCQSA-N 340.339 2.613 30 50 EFEA C[C@H](CC#N)NC(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 368691173 AKPPZFBOPSBOKB-YGRLFVJLSA-N 349.353 2.594 30 50 EFEA C=CCC[C@@H](CN(C)Cc1cccnc1)Oc1nccc(OC)n1 67965973 ZBBBSVKEFDVTGW-INIZCTEOSA-N 328.416 2.726 30 50 EFEA Cc1nc2n(n1)CCN(C(O)=Nc1cc(F)ccc1OCC1CC1)C2 328595320 RCJWHVSLJLBQSL-UHFFFAOYSA-N 345.378 2.576 30 50 EFEA CCN1CCN(/C(O)=N/CCC2=CCCC2)C[C@@H]1c1nccn1C 328635138 UOHFTUICLVANDE-MRXNPFEDSA-N 331.464 2.513 30 50 EFEA O/C(=N/[C@H](c1ccccc1)[C@@H]1CCOC1)[C@@H]1CCc2nn[nH]c2C1 328961652 KUBOPXFRPWKKNB-CKEIUWERSA-N 326.400 2.644 30 50 EFEA COc1ccccc1CC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 378295254 AOOMJKGBRJBTHD-IBGZPJMESA-N 336.391 2.709 30 50 EFEA COc1ccc(CN[C@H](c2nccn2C)C2CCOCC2)cc1C#N 284776485 QCWXOWMXTHYSMB-SFHVURJKSA-N 340.427 2.558 30 50 EFEA C=CCN1C[C@@H](N[C@@H](C)c2ccc(OC)c(OC)c2C)CCC1=O 1875279626 ZPHWIKNMVXZPSA-GJZGRUSLSA-N 332.444 2.840 30 50 EFEA CC1(C)OB(c2cccc(OCCO[C@@H]3CCCCO3)c2)OC1(C)C 169984557 NKIILZHOZLXOFU-QGZVFWFLSA-N 348.248 2.908 30 50 EFEA C=C(Br)CNC(=O)c1ccc2nc(O)n(C3CC3)c2c1 823961334 COWBGNPVJNOBMS-UHFFFAOYSA-N 336.189 2.715 30 50 EFEA CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 6493589 CXHDXNQKLQHDRJ-OAHLLOKOSA-N 338.319 2.803 30 50 EFEA CC1=NN(Cc2ccccc2)C(=O)[C@H]1[C@@H](c1ccncc1)C(C#N)C#N 100548102 MXVQLLCNOKPDHM-MOPGFXCFSA-N 343.390 2.863 30 50 EFEA CN(/N=C/c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104244020 SZNCICYWJGUGEM-OQLLNIDSSA-N 345.271 2.882 30 50 EFEA N#CCCCOc1cccc(CN2CC(=O)N[C@@H]3CCCC[C@H]32)c1 242302405 YSJFSVMCDYGIJY-QZTJIDSGSA-N 327.428 2.612 30 50 EFEA COc1ccc(CN[C@H](c2nc(C)no2)C2CCOCC2)cc1C#N 1775958883 RLOGJCNCWMXVPX-KRWDZBQOSA-N 342.399 2.516 30 50 EFEA N#Cc1cccc(C2(C(=O)N3CCC(c4cc(O)no4)CC3)CC2)c1 1776006514 QXUSPZRAIHSJDM-UHFFFAOYSA-N 337.379 2.690 30 50 EFEA CC1(C)OB(c2ccn(C(=O)OCc3ccccc3)c2)OC1(C)C 169936305 MHUYEVSKFAMONG-UHFFFAOYSA-N 327.189 2.972 30 50 EFEA in-vitro N#Cc1c(N)nc2c(c1-c1ccc(F)cc1)c(=O)nc1sccn12 19874263 KRXQVDIWTAZLPC-UHFFFAOYSA-N 337.339 2.564 30 50 EFEA O=C(C[n+]1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1 2834436 HNPQTOQWIUIKTC-UHFFFAOYSA-N 333.415 2.842 30 50 EFEA COc1ccc(C(=O)C[n+]2ccc(-c3ccncc3)cc2)cc1OC 4542454 ORFSRNRMVWWRBO-UHFFFAOYSA-N 335.383 2.936 30 50 EFEA COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)c(O)c2)c1 6007342 VQQKVCOFLMCVRU-RQZCQDPDSA-N 342.380 2.910 30 50 EFEA C[C@]1(Br)C[C@H]1C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 862164485 HFDGDDOKNJQVOM-RCBQFDQVSA-N 348.244 2.639 30 50 EFEA O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc(O)c([N+](=O)[O-])c1 136508528 FOBVKQJIJBOWSC-DAFODLJHSA-N 327.292 2.968 30 50 EFEA COc1cccc(CC2(CO)CCN(c3cccc(C#N)n3)CC2)c1 67946316 LHJFMQROQGCODT-UHFFFAOYSA-N 337.423 2.783 30 50 EFEA C[C@@H](N[C@@H]1CCN(C(=O)COc2ccccc2)C1)c1cccc(C#N)c1 282248066 MQQGBJCVCQFNEN-VQIMIIECSA-N 349.434 2.889 30 50 EFEA CC(C)(C)[C@@H](C#N)NC(=O)c1cc(Br)cc2[nH]cnc12 282301924 GHAYOGFTCPQBLQ-LLVKDONJSA-N 335.205 2.993 30 50 EFEA N#Cc1c(N)nc2c(c1-c1ccc(O)cc1)CCc1occ(C(=O)O)c1-2 72162442 QRFBEZMZMPKQFX-UHFFFAOYSA-N 347.330 2.965 30 50 EFEA COC(=O)[C@H](c1ccccc1Cl)N1CC[C@H]2SC(=O)C=C2C1 34141652 JBSAZVIMJUOBNB-HIFRSBDPSA-N 337.828 2.828 30 50 EFEA endogenous,world Cn1cc(C#N)cc1C(=O)NCCN1CCC[C@@H](c2ccccc2)C1 216208408 IRIOLOFEDXFOEY-GOSISDBHSA-N 336.439 2.506 30 50 EFEA CC1(C)CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CN(c3ccncc3C#N)C[C@H]21 1875338837 NKSZCILUQXSHHF-RKTXRCNFSA-N 338.455 2.720 30 50 EFEA C=C(C)CN1CCC(NC(=O)N[C@@H]2CCOC23CCCCC3)CC1 892851696 NYHWRLVULPYTRN-QGZVFWFLSA-N 335.492 2.818 30 50 EFEA CC(C)c1nc([C@H]2CCCCN2C(=O)c2cc(C#N)cn2C)n[nH]1 408473685 BBLRPVHRRDQEFR-CYBMUJFWSA-N 326.404 2.506 30 50 EFEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N(C)C(=O)C(C)(C)C 169746074 UDQCKKFSDYYIAI-UHFFFAOYSA-N 332.253 2.698 30 50 EFEA COc1ccccc1C/C(N)=N/OC(=O)c1cccc([N+](=O)[O-])c1C 4551546 BGYAWMGHQNKEHV-UHFFFAOYSA-N 343.339 2.584 30 50 EFEA N#Cc1cc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)ncn1 408514557 ROBTVWMKNONXBR-HKUYNNGSSA-N 333.439 2.839 30 50 EFEA C=CCn1cc(CN2CCCN(c3ccncc3C)CC2)c(C)n1 55307008 HBDNMABKUMGMFL-UHFFFAOYSA-N 325.460 2.793 30 50 EFEA N#Cc1ccc(CC(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)cc1 348242722 KWHWZNFGBIFLMY-CRAIPNDOSA-N 342.345 2.713 30 50 EFEA N#Cc1ccnc(N2CCC(c3nccn3Cc3ccccn3)CC2)c1 91876722 YLDFGYONPLESSC-UHFFFAOYSA-N 344.422 2.977 30 50 EFEA C#CCCC1(CCNC(=O)c2cc3c(cc2Cl)NC(=O)C3)N=N1 1875381330 RAZIBBCAVOPKPW-UHFFFAOYSA-N 330.775 2.530 30 50 EFEA CC[S@](=O)[C@@H]1CCC[C@@H](/N=C(/O)Nc2ncc(OC)s2)C1 330489600 MCYYMWZKXXIFNQ-QDXVKYEASA-N 331.463 2.557 30 50 EFEA C#CCCC1(CCC(=O)NCCc2ccnn2-c2ccccc2)N=N1 2325886448 YSYHLRHHKNCOHP-UHFFFAOYSA-N 335.411 2.887 30 50 EFEA N#Cc1nc(/C=C/c2cccs2)oc1NCCN1CCOCC1 20512823 SXMMPVCISYOUFY-ONEGZZNKSA-N 330.413 2.522 30 50 EFEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)CC2=CCCC2)cc1 219873661 QVUHQGFPSAUWKJ-QZTJIDSGSA-N 326.396 2.711 30 50 EFEA CC[C@@H](NC(=O)c1ccc(C#CC(C)(C)O)o1)c1cccc(C)n1 218911512 HYNWNJSXJZVCOZ-OAHLLOKOSA-N 326.396 2.987 30 50 EFEA COc1ccc([C@H](Nc2cc(C)c(C#N)c(C)n2)[C@H]2C[C@H](O)C2)cn1 244900282 ZZFMDSWTIWYINA-DOXZYTNZSA-N 338.411 2.898 30 50 EFEA C=CCn1cc(CN2C[C@H](c3ccc(OC)cc3)[C@@H](N(C)C)C2)cn1 213254151 ZSBYNAIYCGJTDB-UXHICEINSA-N 340.471 2.607 30 50 EFEA C=CCN[C@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 14732531 MFJOOQNFQSRVMD-INIZCTEOSA-N 344.503 2.798 30 50 EFEA N#Cc1nccnc1N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 253420347 NXURPARBCSFIEV-CQSZACIVSA-N 331.383 2.517 30 50 EFEA C#CC[C@H](NC(=O)C1(c2cncc(Br)c2)CC1)C1CC1 2325806479 ZJWTZSKTSNYMSI-AWEZNQCLSA-N 333.229 2.794 30 50 EFEA C=CCNC(=O)CCCc1nc(-c2ccc(OCC)c(OC)c2)no1 4840428 XVIVRMAWQARRGL-UHFFFAOYSA-N 345.399 2.769 30 50 EFEA CCOC(=O)c1ccc(NC(=O)CSc2ncccc2C#N)cc1 9295478 QQBOQPAMECGPAZ-UHFFFAOYSA-N 341.392 2.861 30 50 EFEA C#C[C@H](NC(=O)Nc1ccc(F)cc1OCC1CC1)[C@@H]1CCOC1 252507875 WVQVCSZJJZBPGG-HIFRSBDPSA-N 332.375 2.774 30 50 EFEA CC[C@@H]1COCCN1/C(O)=N/Cc1ccncc1OCC(F)(F)F 330964389 ZMEZQNHKKINRRN-GFCCVEGCSA-N 347.337 2.548 30 50 EFEA O=c1c2ccccc2nc2ccc(N/N=C/c3ccc(F)cc3)nn12 4653422 KCEQCMBVJKCMCL-RGVLZGJSSA-N 333.326 2.828 30 50 EFEA N#Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2CCN2CCCC2)c1 77358264 MPRKEUWYXRWZAH-QGZVFWFLSA-N 347.484 2.587 30 50 EFEA N#CCSCC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 181002902 JFBWOEJFVPJBLS-OCCSQVGLSA-N 328.796 2.682 30 50 EFEA CC[C@@H]1C[C@@H](CC(=O)Nc2ncc3c(c2C#N)COCC3)CCO1 863947309 SLBHVJCKFLVUOA-GXTWGEPZSA-N 329.400 2.560 30 50 EFEA C#CCCC1(CCC(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)N=N1 2325886269 AXMHSAWVGBJJBY-INIZCTEOSA-N 344.459 2.640 30 50 EFEA CCOC(=O)c1sc(N2C(=O)c3ccccc3C2=O)c(C#N)c1C 75919 HNDKMUGHXUMZMG-UHFFFAOYSA-N 340.360 2.906 30 50 EFEA CCOC(=O)[C@H]1CCC/C1=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4947963 RKNJNYYCAGXQGL-NVRAKJRWSA-N 336.304 2.634 30 50 EFEA C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)N1CCSCC1 151808930 PSPCTRMRNMOZRL-OAHLLOKOSA-N 329.469 2.510 30 50 EFEA Cn1cc([C@@H](NC(=O)c2c(F)cc(C#N)cc2F)C(F)(F)F)cn1 241961289 URCPEOFOXFUTFU-GFCCVEGCSA-N 344.243 2.603 30 50 EFEA N#C[C@@H]1CC[C@@H](N2CCC(C(=O)NCCc3cccs3)CC2)C1 292938808 ZSOUGJCWCVWRBD-GDBMZVCRSA-N 331.485 2.811 30 50 EFEA C=CC[C@]1(C(=O)O)CCCN(C(=O)c2cc(F)c(OC)c(F)c2)C1 92097225 WPBHYJIOXFFDAY-KRWDZBQOSA-N 339.338 2.857 30 50 EFEA Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCCC#N)c3ccccc32)o1 2840421 MHAOOOOCNLJTND-IBGZPJMESA-N 338.363 2.699 30 50 EFEA CC#CC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1 20782779 CVXHOZCDIFBODV-UHFFFAOYSA-N 332.447 2.796 30 50 EFEA CN1C(=O)C[C@H](C(=O)O)S/C1=N/c1cc(Cl)c(O)c(Cl)c1 100262996 HSZYBHSAASJTTM-NKMMAWQQSA-N 349.195 2.735 30 50 EFEA CC(C)Cc1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)n[nH]1 67908231 HJFFWUHTPPKWLZ-BLLLJJGKSA-N 336.443 2.815 30 50 EFEA Cc1ccc(CC/C(O)=N/[C@@H]2CCCN(c3nccnc3O)C2)o1 328623884 CBVXICKXTSIPOU-CYBMUJFWSA-N 330.388 2.642 30 50 EFEA CCOc1ccc2c(C)nc(N/C(N)=N/C(=O)c3ccccc3)nc2c1 4350886 QSQBWGFASKFOPP-UHFFFAOYSA-N 349.394 2.904 30 50 EFEA CC#CC(=O)N[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 801188751 RYHHTOJYTYZPCV-PBHICJAKSA-N 336.794 2.669 30 50 EFEA C#CCCC1(CCNC(=O)[C@H]2C[C@@H]2OCc2ccc(OC)cc2)N=N1 2325900311 TTWJGCZKXOPYQV-IRXDYDNUSA-N 341.411 2.682 30 50 EFEA C=C(C)COc1ccc(CN(CC)[C@H]2COC[C@@H]2O)cc1OCC 55401167 HFGSZCAUXJKWAS-IRXDYDNUSA-N 335.444 2.622 30 50 EFEA CCn1cc(CN2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc1C#N 77456988 QVEZOCJLNGYTEU-HXUWFJFHSA-N 340.471 2.747 30 50 EFEA C=C1[C@H](NC(=O)CCc2cccnc2C(=O)O)C[C@H]2C[C@@H]1C2(C)C 1875286498 WDMPJRIHRSGTFO-QLFBSQMISA-N 328.412 2.819 30 50 EFEA CC(C)(C)NS(=O)(=O)c1ccccc1CN[C@H]1CCC[C@H](C#N)C1 185801001 GHLHWWIBPYYQOJ-HOCLYGCPSA-N 349.500 2.935 30 50 EFEA COC(=O)c1cc(OC(F)(F)F)cc(B2OC(C)(C)C(C)(C)O2)c1 169904699 NLRSCERUFCDHRU-UHFFFAOYSA-N 346.110 2.671 30 50 EFEA in-vitro NS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 61277 KTTRXPZAPZPZER-YBFXNURJSA-N 326.377 2.943 30 50 EFEA CSc1nc2n(n1)[C@@H](c1cccc(O)c1)C1=C(CCCC1=O)N2 4436100 UWOQAOWQOQFZCM-AWEZNQCLSA-N 328.397 2.728 30 50 EFEA CCOC(=O)CS/C(=N\Nc1ccc(Cl)cc1)C(=O)OCC 17111026 FCRSPGLWPZHHLE-LGMDPLHJSA-N 344.820 2.925 30 50 EFEA Cc1cc(N2CCN(Cc3ccc(F)cc3)C(=O)C2)nc(C)c1C#N 2356164473 UMLPWFLBAHQMRL-UHFFFAOYSA-N 338.386 2.558 30 50 EFEA O=[N+]([O-])c1ccc(N/N=C2\CCC[C@@]23CCC[C@@H]3O)c([N+](=O)[O-])c1 4795100 YTDWEZJVHPXQQK-ILYOEDHISA-N 334.332 2.986 30 50 EFEA N#Cc1cccnc1NCCOC(=O)/C=C/SCc1ccco1 151248213 QRCNPAPMBBBQDY-BJMVGYQFSA-N 329.381 2.948 30 50 EFEA Cc1cc(O)ncc1N=C(O)[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C 328614805 WXSBYBVDXBMFIY-LRDDRELGSA-N 330.388 2.812 30 50 EFEA N#Cc1cc(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)ccc1F 157955854 WNBISYIUGQNJLE-LJQANCHMSA-N 335.338 2.591 30 50 EFEA Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc(C#N)c[nH]1 175479569 KXBJADFXHNFPTO-UHFFFAOYSA-N 340.452 2.996 30 50 EFEA CCn1ncc([C@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)c1C 20607898 BSPMJPSQYMOYNX-AWEZNQCLSA-N 344.444 2.547 30 50 EFEA COc1ccc(/C=N/S(=O)(=O)CCc2ccccc2)c(OC)c1 97361865 VXIKATTUXREXJO-QGOAFFKASA-N 333.409 2.695 30 50 EFEA CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2sccc2C#N)C1 190589230 LOSAEABKDHXIKQ-OAHLLOKOSA-N 340.452 2.609 30 50 EFEA N#Cc1cc(Br)ccc1N[C@H]1CC(=O)N2CCCC[C@@H]12 328649202 IPZXBWOCMCUSRU-KBPBESRZSA-N 334.217 2.886 30 50 EFEA C#CCCC1(CCNC(=O)c2cc(C)n(-c3cnn(C)c3)c2C)N=N1 2325887465 URJQTAYJJFIFJF-UHFFFAOYSA-N 338.415 2.523 30 50 EFEA CCc1nnc(/N=C(\O)CN2CCN(c3ccccc3F)CC2)s1 20027054 WREIIJJMZVUAHV-UHFFFAOYSA-N 349.435 2.650 30 50 EFEA N#Cc1ccccc1N1CCCN(C(=O)CCCn2cccc2)CC1 131845242 CUNRAOPYVKQABP-UHFFFAOYSA-N 336.439 2.879 30 50 EFEA Cn1ccnc1C(=O)[C@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 77342693 RHRDQNCUTLSSOX-HNNXBMFYSA-N 349.438 2.665 30 50 EFEA N#CC1(c2ccc(C(=O)N3CCC(Nc4cccnn4)CC3)cc2)CC1 181513178 ZDQCAYKUQIMLGR-UHFFFAOYSA-N 347.422 2.748 30 50 EFEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1c[nH]c3ccccc13)[C@H]1C=C[C@H]2C12CC2 245226609 GPKIGMVEVNSPCK-DRDRIESESA-N 331.375 2.699 30 50 EFEA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Cl)cc1 252428632 RJMHKOAACSZNAE-NJQYJPLRSA-N 326.783 2.727 30 50 EFEA C#CCCc1noc([C@]2(C(F)(F)F)CCN(c3ccccn3)C2)n1 952894321 NIKRXGROPIMHIR-HNNXBMFYSA-N 336.317 2.741 30 50 EFEA Cc1csc(C2=C(N)N(Cc3c(F)cccc3Cl)CC2=O)n1 13719436 ASRGDZFJPGCJJQ-UHFFFAOYSA-N 337.807 2.956 30 50 EFEA COc1ccccc1[C@@H](C#N)NC(=O)c1noc2c1CCCCC2 134190606 BYQDATBTYSPZHD-CQSZACIVSA-N 325.368 2.947 30 50 EFEA N#C[C@]1(C(=O)N2CC3(CCC3)[C@@](F)(C(=O)O)C2)CC2CCC1CC2 923087569 ZSMLTWUVUUEJQR-UGTAFDGBSA-N 334.391 2.512 30 50 EFEA COc1cccc(C[C@]2(CO)CCCN(c3cc(C#N)ccn3)C2)c1 67947497 NNYHEHIAOWYVPS-HXUWFJFHSA-N 337.423 2.783 30 50 EFEA CCC#CCN1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 77319008 HASROFFKDGTWOV-NRFANRHFSA-N 339.483 2.742 30 50 EFEA CC(C)n1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1Cc1cc(C#N)c[nH]1 1875399097 OQDOZBPLXHLCLK-JKSUJKDBSA-N 340.431 2.738 30 50 EFEA CC1=C/C(=N\S(=O)(=O)c2ccc(Br)cc2)C=CC1=O 16225218 CGIHKVURRJDUOC-PTNGSMBKSA-N 340.198 2.664 30 50 EFEA O=C1c2ccccc2C(=O)N1N=Cc1cc(Br)ccc1O 252394289 FJJQCLDPXCSCAR-UHFFFAOYSA-N 345.152 2.785 30 50 EFEA N#Cc1cc(Br)ccc1N[C@H]1CC(=O)N2CCCC[C@H]12 328649205 IPZXBWOCMCUSRU-UONOGXRCSA-N 334.217 2.886 30 50 EFEA CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O 4685857 SZINUGQCTHLQAZ-ZLIFDBKOSA-N 336.391 2.828 30 50 EFEA biogenic,in-vitro COC[C@@H]1C[C@@H](OC)CN1Cc1cc(C#N)ccc1Br 344378621 ZRGRFXDAWIGZTI-UONOGXRCSA-N 339.233 2.556 30 50 EFEA Cc1nnc(/N=C(\O)[C@@H](C)N2CCN(c3ccccc3)CC2)s1 20706649 SFJYVPVFCJNZSO-GFCCVEGCSA-N 331.445 2.645 30 50 EFEA CC(=O)N(C)c1cccc(N=C(O)N[C@]2(C)CCO[C@H]2C2CC2)c1 328587276 UBAQEICCDBPSFE-FUHWJXTLSA-N 331.416 2.762 30 50 EFEA Cc1ccc(N=C(O)N2CCCOCC2)cc1C(=O)N(C)C(C)C 328587563 AZPCWHAUNKIRQG-UHFFFAOYSA-N 333.432 2.743 30 50 EFEA C=CC[C@]1(CO)CCCN(C(=O)c2cccc(N3CCCC3=O)c2)C1 92107674 KPFKQIVWBCHGPN-FQEVSTJZSA-N 342.439 2.604 30 50 EFEA C=CCN1C(=O)/C(=C2/C(=O)N(CC)c3ccccc32)SC1=S 13766096 MZBSSHPANBODLT-SEYXRHQNSA-N 330.434 2.811 30 50 EFEA CCn1cc(B2OC(C)(C)C(C)(C)O2)c(-c2ccc([N+](=O)[O-])cc2)n1 204718334 BNJLOSTYUZRZME-UHFFFAOYSA-N 343.192 2.777 30 50 EFEA C[C@@H]1C(c2cccs2)=[N+]([O-])[C@](C)(C(=O)c2ccc(F)cc2)N1O 4314816 RDXSBVCCCKIEFV-QLJPJBMISA-N 334.372 2.879 30 50 EFEA C=CCN1CC[C@@H](Sc2nnc(C(C)C)n2Cc2ccco2)C1=O 253419778 IDEDEBQJJMEBQS-CQSZACIVSA-N 346.456 2.922 30 50 EFEA C#C[C@H](NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)C(C)C 225589471 XPUXOQSEKNPTNR-SFHVURJKSA-N 341.455 2.770 30 50 EFEA CCCCc1c(C)nc(N/N=C/c2cccc(OC)c2O)[nH]c1=O 16512851 UAHZKQVYYHTZAP-VCHYOVAHSA-N 330.388 2.581 30 50 EFEA CCOC(=O)c1sc(/N=N/C(C#N)C#N)c(C(=O)OCC)c1C 4159887 LYPPNJVLXDVMEJ-ISLYRVAYSA-N 334.357 2.909 30 50 EFEA Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)nnn1-c1ccccc1 918486792 FWCYDTOXGCXJAR-INIZCTEOSA-N 345.362 2.537 30 50 EFEA N#Cc1cc2n(n1)CCCN(C(=O)c1scc3c1CCCC3)C2 65403243 YWGNWQJWTRULEQ-UHFFFAOYSA-N 326.425 2.741 30 50 EFEA C[C@H]1[C@@H](/N=C(/O)[C@@H]2C[C@H]2c2ccccc2Cl)CCS1(=O)=O 329119682 PHLNZCJQNKWTQH-ZKCLLBTKSA-N 327.833 2.976 30 50 EFEA CC[C@H]1COCCN1C(O)=Nc1ccnc(OCC(F)(F)F)c1 330671958 FRBCDCCAVUEZIV-NSHDSACASA-N 333.310 2.679 30 50 EFEA N#Cc1cccc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c1 174352298 FEFMRECBGIYVSI-UHFFFAOYSA-N 334.354 2.856 30 50 EFEA CCCc1ccc(S(=O)(=O)N/N=C\c2cccc(OC)c2O)cc1 17072386 OQIUJLIFEICRRH-PDGQHHTCSA-N 348.424 2.666 30 50 EFEA N#Cc1ccc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2=O)cc1 82106574 QTZWUDBGTQZYSL-UHFFFAOYSA-N 330.391 2.888 30 50 EFEA C=CCN1CCC[C@H]1C(=O)NC1(CN2CCCCC2)CCCCC1 584889837 YUPZBOQOXASRMX-SFHVURJKSA-N 333.520 2.942 30 50 EFEA C=C[C@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 584897109 UIWMZHILOGWGSN-KRWDZBQOSA-N 327.472 2.911 30 50 EFEA CC[C@H](CC#N)NCc1c(Br)n[nH]c1Br 888093447 QDUPUBRDCZWQHG-ZCFIWIBFSA-N 336.031 2.717 30 50 EFEA Cc1cc(C)cc(N/C(S)=N\Cc2ccc(S(N)(=O)=O)cc2)c1 13544999 MGWNLERFXZPPGS-UHFFFAOYSA-N 349.481 2.849 30 50 EFEA OC1=N[C@@H](/C(O)=N/Cc2cc(Cl)ccc2N2CCOCC2)CC1 329824032 ZUUOHTGNVFQZOG-CYBMUJFWSA-N 337.807 2.752 30 50 EFEA C[C@H](CC#N)N(C)C(=O)c1csc(=Nc2cc(F)cc(F)c2)[nH]1 450063294 UJAXHHYRLZLIOQ-SECBINFHSA-N 336.367 2.961 30 50 EFEA COc1cc(Cl)cc(-c2c(C#N)c(N)nc3c2CNCC3)c1OC 72172438 ZATHDJWDEBWUMC-UHFFFAOYSA-N 344.802 2.519 30 50 EFEA Cc1ccc(S(=O)(=O)OC[C@H]2CCN2C(=O)OC(C)(C)C)cc1 34372781 GHOGMHPEFWQXQZ-CYBMUJFWSA-N 341.429 2.710 30 50 EFEA N#Cc1cccc(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)c1 1565529864 NSOCGPXNQBIRDG-MSOLQXFVSA-N 336.391 2.637 30 50 EFEA C=CCOc1ccc(C(=O)N2CCO[C@H](C3CCC3)C2)cc1OC 408520946 CKXYJMYNGFZLIH-SFHVURJKSA-N 331.412 2.901 30 50 EFEA Cn1cc(/C(O)=N/[C@@H]2C[C@@H]2c2ccccc2F)c([C@H]2CCOC2)n1 328636978 VVLBMYIOYATKDZ-NORZTCDRSA-N 329.375 2.924 30 50 EFEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1[C@H]1CCOC(C)(C)C1 71764741 PXSTYDLGTYRTKM-LBPRGKRZSA-N 325.416 2.917 30 50 EFEA C/C(O)=N/[C@H](/C(O)=N/[C@@H]1CN(c2ccccc2)C1=O)C1CCCC1 329610453 RDSGCVCWPUKKEF-CVEARBPZSA-N 329.400 2.894 30 50 EFEA C#CC[C@H](OC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)C1CC1 239527597 ATJKETOKLGIKJH-AWEZNQCLSA-N 342.363 2.571 30 50 EFEA N#Cc1cccnc1N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 95506806 MRZBHVBBCKOWJT-GOSISDBHSA-N 344.422 2.977 30 50 EFEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)NCc2ccc(OC)cc2)C1 91255549 QVILIHUWSYVHTH-GOSISDBHSA-N 332.400 2.648 30 50 EFEA C=CCNC(=O)[C@H](C)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 192087123 FYONQJIRNBDILG-NZVBXONLSA-N 326.799 2.589 30 50 EFEA COC(=O)c1ccc(/C=N/NC(=S)Nc2ccc(OC)cc2)cc1 2506468 MFIXNRCVUOIDGB-WOJGMQOQSA-N 343.408 2.802 30 50 EFEA CN(C)C[C@@H]1OCCN(C(=O)c2ccccc2C#N)[C@H]1c1ccccc1 1857717593 ZWIUUWHIJIFERR-PMACEKPBSA-N 349.434 2.702 30 50 EFEA C[C@H](C/N=C(/O)c1cncc(-n2ccnn2)c1)c1ccc(F)cc1 330032514 OWYMNFMDWGWSJF-GFCCVEGCSA-N 325.347 2.910 30 50 EFEA C=C(C)COc1ccccc1C(=O)N[C@@H](CC(=O)O)C(F)(F)F 55183257 MNKVJMRHAHTSTB-LBPRGKRZSA-N 331.290 2.777 30 50 EFEA N#Cc1c(-c2ccc(C#CCO)s2)cc(-c2ccc(O)cc2)nc1N 67457722 HMIVEWVXCWBWAJ-UHFFFAOYSA-N 347.399 2.980 30 50 EFEA CC[C@@H]1COCCN1C(O)=Nc1ccnc(OCC(F)(F)F)c1 330671957 FRBCDCCAVUEZIV-LLVKDONJSA-N 333.310 2.679 30 50 EFEA C#CCN(Cc1ccco1)C(=O)[C@@H]1CC(=O)Nc2ccc(F)cc21 65461245 DQXHOXIIIYRRTF-OAHLLOKOSA-N 326.327 2.507 30 50 EFEA N#Cc1cc2c(nc1NC(=O)Cc1cccc([N+](=O)[O-])c1)CCCC2 121992380 SAZZSGQXVOYAEZ-UHFFFAOYSA-N 336.351 2.921 30 50 EFEA C=CC[C@@]1(CO)CCCN(C(=O)C2CCN(Cc3ccco3)CC2)C1 91461661 FIEDGGFMFMFSPC-HXUWFJFHSA-N 346.471 2.669 30 50 EFEA CCn1cc(CN2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)cc1C#N 91433877 DOFFPJQQSBDDDP-FQEVSTJZSA-N 340.471 2.604 30 50 EFEA CCOc1ccc(NC(=O)N(CC)CCn2cccn2)cc1C#N 96151903 UWPJXUZJVMLTIS-UHFFFAOYSA-N 327.388 2.707 30 50 EFEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43CO)[C@H]1CC[C@H]2C(N)=O 257345643 FCKREEZOLFAONZ-MJKUBCPDSA-N 331.456 2.592 30 50 EFEA C=CCN1CCC[C@H]1C(=O)Nc1cc(C(=O)NCC(C)C)ccc1C 952961086 IHBOBMDMPKLEIZ-SFHVURJKSA-N 343.471 2.970 30 50 EFEA CC(=O)N1C[C@H](NC(=O)C2(C#N)CCCCC2)CC[C@H]1C(F)(F)F 886036575 WVTCWMQBQIVJHU-OLZOCXBDSA-N 345.365 2.518 30 50 EFEA N#Cc1cnc(Cl)c(NC(=O)c2ccc(N3CCOCC3)cc2)c1 170601471 PGMCIOLSKQKIGU-UHFFFAOYSA-N 342.786 2.696 30 50 EFEA N#Cc1c[nH]c(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)c1 225404008 OMXUIYKWLAXDAD-NHYWBVRUSA-N 349.312 2.853 30 50 EFEA C=CCS(=O)(=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 11878218 PBEIJAUHQZXYFG-MRXNPFEDSA-N 329.425 2.626 30 50 EFEA C=CCc1ccc(OCCSc2nc(C)cc(=O)[nH]2)c(OC)c1 16381875 XKQOMVKDRLLROV-UHFFFAOYSA-N 332.425 2.987 30 50 EFEA Cc1cc(C)n(C[C@H]2CN(c3ccc(C#N)c(Cl)c3)CCO2)n1 110584996 IGGFNUODIPLBFA-MRXNPFEDSA-N 330.819 2.930 30 50 EFEA O=S(=O)([C@@H]1C[C@H]2CC[C@@H]1[C@@H]1O[C@@H]12)N1CCC[C@@H]1c1ccccc1 2325891736 ARGZMAVCGAAZIX-HVKXIDHRSA-N 333.453 2.719 30 50 EFEA CCc1nc(N=C(O)N[C@]2(CO)CCOc3ccccc32)sc1C 328587580 CBENOSRXTBQNLN-KRWDZBQOSA-N 347.440 2.819 30 50 EFEA CCCCc1nc(NC(=O)c2cc(C#N)oc2C)c(C(=O)OCC)[nH]1 253432487 KPULEEPFDUAFNT-UHFFFAOYSA-N 344.371 2.954 30 50 EFEA N#CCOc1ccccc1C(=O)N1CCC([C@H]2CCCOC2)CC1 378595722 ZOZDEDLZVZRQIM-INIZCTEOSA-N 328.412 2.868 30 50 EFEA COc1ccc(C#N)cc1CN1CCCC[C@@H]1CN1CCCC1=O 370844881 XOYFXDQVAOHMCU-QGZVFWFLSA-N 327.428 2.544 30 50 EFEA C#C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@@]21C 253499808 ODMURDDTNPVMMD-ITAPTBOFSA-N 330.468 2.886 30 50 EFEA biogenic N#Cc1ccnc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)c1 299760535 VZJAQSTUWSXRIL-OAQYLSRUSA-N 332.451 2.628 30 50 EFEA N#Cc1cc(F)c(C(F)(F)F)cc1NCCCN1C(=O)CCC1=O 952880267 NMWIKYFXOSGBAD-UHFFFAOYSA-N 343.280 2.667 30 50 EFEA C=C(C)CS(=O)(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 189775386 HMWKHSWBZYNMCX-AWEZNQCLSA-N 347.383 2.567 30 50 EFEA C=CC[C@H]1CC=C[C@H](C)N1S(=O)(=O)c1cccc(NC(C)=O)c1 1615702004 ZLEPCFAWYAYRPS-BBRMVZONSA-N 334.441 2.929 30 50 EFEA Oc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c(O)c1 19771349 TZHAMAUHEJHNFI-UDWIEESQSA-N 345.830 2.903 30 50 EFEA N#CCCCN1C(=O)[C@@](O)(CC(=O)c2cccs2)c2ccccc21 2841910 AFNBNLROUZWYOU-GOSISDBHSA-N 340.404 2.859 30 50 EFEA CCN(CC(=O)O)C1CC(/N=C(/O)CCc2cccc(OC)c2)C1 328654529 XNJQIUROXLHXTN-UHFFFAOYSA-N 334.416 2.522 30 50 EFEA CC(C)N(C(=O)[C@H](C)O/N=C(\N)CN1[C@@H](C)CCC[C@H]1C)C(C)C 253431577 WJLSUDDCXKYBDG-XHSDSOJGSA-N 340.512 2.572 30 50 EFEA CC[C@H]1CCCCN1CC(=O)Nc1cc(OC)c(OC)cc1C#N 1422841 OCHXPQKQVKPAAL-AWEZNQCLSA-N 331.416 2.778 30 50 EFEA O=C(O)c1cccc(/C=C/C(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1 126371748 IGGUQTLSVKOCBU-GQCTYLIASA-N 337.253 2.988 30 50 EFEA CCOC(=O)Cn1c(C)[n+](CC(=O)c2ccccc2)c2ccccc21 13635321 IGKHASRDECYUMF-UHFFFAOYSA-N 337.399 2.683 30 50 EFEA N#Cc1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cn1 352175120 RLTDCPUMGDLEPH-UHFFFAOYSA-N 339.420 2.719 30 50 EFEA N#Cc1c(F)cccc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 188016212 IYYJVQSERBNBRG-INIZCTEOSA-N 348.381 2.548 30 50 EFEA CCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)c(OC)c1 1763111 LQRHLYPPOVBMIZ-INIZCTEOSA-N 333.384 2.788 30 50 EFEA biogenic CC/N=C1/S[C@H](CS(=O)(=O)c2ccccc2)CN1C(C)C 4760210 XQQWBSGOJUMBRW-ZGTROFRASA-N 326.487 2.662 30 50 EFEA Cn1cc(/C(O)=N/C[C@@H]2CCc3ccccc32)c([C@H]2CCOC2)n1 328626090 LISBCBDARAJPMC-GJZGRUSLSA-N 325.412 2.959 30 50 EFEA Cc1cncc(N=C(O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)c1 328624738 KCXNDRSQJFVSOU-CYBMUJFWSA-N 331.376 2.515 30 50 EFEA CN(C)S(=O)(=O)N(CC#N)CC1CCC(c2ccccc2)CC1 289410387 PGYIJGXMIILFKU-UHFFFAOYSA-N 335.473 2.592 30 50 EFEA CNC(=O)C[C@@H](C)N(C)C(=O)c1ccc(-c2cccc(C#N)c2)cc1 426389500 SQJVXKWIKLAHTO-CQSZACIVSA-N 335.407 2.822 30 50 EFEA C[C@]12CC[C@@H]3[C@H](C[C@H](O)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO 254793299 NCYJPPVFCXZXCE-ZLWKQIJCSA-N 346.467 2.667 30 50 EFEA N#CC1(c2ccccc2)CCN(C(=O)NCCC2(O)CCCC2)CC1 534655050 HDAZQGNTBRBCLC-UHFFFAOYSA-N 341.455 2.949 30 50 EFEA CC(=O)N1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC12CCCCC2 270815616 QSUBJTCESYKLCQ-UHFFFAOYSA-N 342.399 2.838 30 50 EFEA N#Cc1ccc(C(=O)N2CCc3nnc(-c4cccc(F)c4)cc3C2)[nH]1 952893730 IZQPIAAXRUJJGV-UHFFFAOYSA-N 347.353 2.681 30 50 EFEA O=C(NO)c1cccc(-c2cn(CSc3ccccc3)nn2)c1 72316041 DORPIZJGSLWDIY-UHFFFAOYSA-N 326.381 2.814 30 50 EFEA in-vitro N#C[C@@H]1CCC[C@H]1S(=O)(=O)NCc1ccc(Br)s1 1775989180 GDNHRWKVFDHXHS-WCBMZHEXSA-N 349.275 2.622 30 50 EFEA C=C(C)[C@@H](NC(=O)N1CCn2nc(C)nc2C1)c1ccc(F)c(F)c1 275143585 QPHSFVOIFWDCAE-MRXNPFEDSA-N 347.369 2.707 30 50 EFEA C=CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 15074168 VCWCZCANZVXVRI-QGZVFWFLSA-N 344.430 2.807 30 50 EFEA Cc1noc([C@@H]2CCN(c3oc(-c4cccs4)nc3C#N)C2)n1 1857798916 GFQGAMAHYALPGU-SNVBAGLBSA-N 327.369 2.960 30 50 EFEA C=CCc1cc(CN[C@H]2CCCCNC2=O)cc(OC)c1OC(C)C 55271737 TVKNINFPGRFMFM-KRWDZBQOSA-N 346.471 2.969 30 50 EFEA C=CCn1c(CN2CCC[C@@H](N3CCCC3=O)C2)nc2ccccc21 71714770 TWOJIAVPQKGEBI-MRXNPFEDSA-N 338.455 2.809 30 50 EFEA Cc1cnc(/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)cn1 328630249 PQULTBLZRPODKU-SNVBAGLBSA-N 339.321 2.568 30 50 EFEA Cc1nc(C(=O)N2CC[C@H](n3ncc4ccccc43)C2)ccc1C#N 378585113 UUBZCPHJTSBTLE-INIZCTEOSA-N 331.379 2.699 30 50 EFEA N#Cc1cc(F)cc(C(=O)N[C@@H]2CC(=O)N(CC3CCCCC3)C2)c1 72148514 LMSOBEGDEBHEQD-QGZVFWFLSA-N 343.402 2.608 30 50 EFEA CCc1nc(S[C@H](C)C(=O)Nc2ccc(C)cc2)[nH]c(=O)c1C#N 5238995 LRNRDJXHCVYWFQ-LLVKDONJSA-N 342.424 2.632 30 50 EFEA COc1ccc(OC)c(NC(=O)CSc2ncccc2C#N)c1 7051432 AYQULPAKFHXCEO-UHFFFAOYSA-N 329.381 2.701 30 50 EFEA C[C@H](c1ccccc1F)N1CCC[C@@H](Nc2cncc(C#N)n2)C1=O 420636413 MIROYGAHCXUFIQ-MLGOLLRUSA-N 339.374 2.651 30 50 EFEA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1ccc(C#N)cn1 328641807 XZZJBWQEMRKBIK-GFCCVEGCSA-N 335.333 2.867 30 50 EFEA Cc1ccc(N=C(O)N2CCOC[C@H]2c2nnc(C(C)C)o2)cn1 328628729 OAEYGUDRDGGQEX-ZDUSSCGKSA-N 331.376 2.515 30 50 EFEA COc1ccsc1/C(O)=N/[C@H](c1nc(C)no1)C1CCOCC1 328612945 QFRIPPVKLMLMRL-LBPRGKRZSA-N 337.401 2.921 30 50 EFEA CCCCCCCC(=O)NC1CCN(CC(=O)N(CC)CC)CC1 408517310 GQAZHLZZAVCYMG-UHFFFAOYSA-N 339.524 2.796 30 50 EFEA CCOC(=O)c1cccc(NC(=O)CSc2ncccc2C#N)c1 15019324 LRUQXAFDNVEHQV-UHFFFAOYSA-N 341.392 2.861 30 50 EFEA CC1(C)CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccc([N+](=O)[O-])c1 18190365 YQTJKLSAHMCRNY-HNNXBMFYSA-N 339.355 2.844 30 50 EFEA C[C@H]1[C@H](N=c2cc[nH]c(C#N)c2)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 912301955 WIUFXIWONNXKHH-WBQNTZJQSA-N 342.443 2.964 30 50 EFEA CC(C)c1csc(CN2CCN(c3ncccc3C#N)CC2)n1 65384375 QQWQDGYJCZRYEI-UHFFFAOYSA-N 327.457 2.855 30 50 EFEA COC(=O)c1cscc1N=C(O)N1CCC[C@@H](n2cc(C)cn2)C1 328587209 HONUDUIGEYJDKC-GFCCVEGCSA-N 348.428 2.922 30 50 EFEA C=CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1ccc(C)cc1C 17072149 HDDHGXPNLUHKOF-ZDUSSCGKSA-N 346.456 2.798 30 50 EFEA Cc1cc(C(=O)N2CC(=O)N(c3ccccc3C#N)C[C@H]2C)c(C)o1 82120590 WNUCGEPWVXVINS-GFCCVEGCSA-N 337.379 2.646 30 50 EFEA N#Cc1cnc(Nc2ccc(OCCO)cc2)c(Br)c1 1413875828 BDBSDFMHSWDZIK-UHFFFAOYSA-N 334.173 2.830 30 50 EFEA Cc1cccc2c1OCC[C@@H]2N(C)Cc1cc(O)n2ncc(C#N)c2n1 2325814067 ONOLBZNOZSLDQK-INIZCTEOSA-N 349.394 2.571 30 50 EFEA CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1c(O)cccc1F 121268718 HMSHMQHYQMFBDJ-UHFFFAOYSA-N 341.386 2.607 30 50 EFEA CC1(C)[C@H]2CC[C@@]1(C)[C@H](N/C(O)=N/C[C@@H]1CCCS(=O)(=O)C1)C2 329249944 UBAHRIWJDSHTCZ-ZJOBFFGXSA-N 342.505 2.530 30 50 EFEA CCc1ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc1S(C)(=O)=O 241587988 OYTRMYSZMDDGBP-QGZVFWFLSA-N 336.457 2.711 30 50 EFEA C#CCOc1ccccc1NC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 188088261 XMGUJJPUOVKKBB-KDOFPFPSSA-N 346.452 2.875 30 50 EFEA C[C@H]1CC(=O)NCCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 371044243 UCKSEJZTUGDNEE-AWEZNQCLSA-N 348.406 2.652 30 50 EFEA C[C@]12CCCC[C@H]1N(Cc1cc(O)n3ncc(C#N)c3n1)CCC2 2325772013 LYBIJADCRHHEHC-CRAIPNDOSA-N 325.416 2.851 30 50 EFEA C=CCN(CCSc1ccccc1)C(=O)[C@H]1CCCN(C(N)=O)C1 65459740 NTNSOYXXKWLUHF-HNNXBMFYSA-N 347.484 2.584 30 50 EFEA C=CCn1cc(CN2CC[C@@H](c3cccc(OC)c3)[C@H](O)C2)c(C)n1 65372541 ONBRFIBNJFNSDT-VQTJNVASSA-N 341.455 2.737 30 50 EFEA CCCNc1c(B2OC(C)(C)C(C)(C)O2)cc(C#N)cc1[N+](=O)[O-] 170008365 GOBGCSHZTQNJBJ-UHFFFAOYSA-N 331.181 2.588 30 50 EFEA C=CC[C@H](CC)/N=C(/O)Nc1cccc2c1CCN2S(C)(=O)=O 328587548 AOSUOSQCRYRCRM-LBPRGKRZSA-N 337.445 2.689 30 50 EFEA Cc1ncc(N=C(O)N2CCC[C@@H]2Cn2ccnc2C)c(C2CC2)n1 328587666 DXAJHIJPRYVHLH-OAHLLOKOSA-N 340.431 2.877 30 50 EFEA OCC[C@H](/N=C(/O)c1sccc1Br)C1CCOCC1 330906367 SDZHLYBLLQXAGP-NSHDSACASA-N 348.262 2.993 30 50 EFEA N#Cc1ccnc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)c1 91656987 TWDWIMIWROESHA-KRWDZBQOSA-N 344.422 2.977 30 50 EFEA C=CCC(=O)N1CC[C@@]2(CCCN(CCc3ccccc3)C2=O)C1 15064673 MIASFPRITDIKDU-FQEVSTJZSA-N 326.440 2.646 30 50 EFEA Cc1c(C/N=C(/O)NC[C@@H]2CCCN2C2CCCCC2)cnn1C 328587754 GWKQKMDPQAMHAQ-KRWDZBQOSA-N 333.480 2.529 30 50 EFEA C/N=C1\S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C 100635678 ZOTZOKJSBDKOAG-MGPWXQLLSA-N 327.409 2.728 30 50 EFEA N#C[C@@H]1CC[C@H](N2CCC(C(=O)NCCc3cccs3)CC2)C1 292938820 ZSOUGJCWCVWRBD-ZBFHGGJFSA-N 331.485 2.811 30 50 EFEA C=CC[C@@H](CC)NC(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 281952379 MHBBNAWFFIPDOQ-CYBMUJFWSA-N 349.406 2.774 30 50 EFEA Cn1cccc1[C@@H]1COCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 162365295 GQRNLVLGCWCFLY-KRWDZBQOSA-N 349.394 2.520 30 50 EFEA N#Cc1ccc(NC(=O)NCc2cccnc2N)cc1C(F)(F)F 1425341282 XOWFHVPHAOWNCY-UHFFFAOYSA-N 335.289 2.876 30 50 EFEA COc1ccc(OC)c([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)c1 4488864 USQRMWIJCUZORL-CYBMUJFWSA-N 329.396 2.951 30 50 EFEA Cc1nc(-c2cccs2)sc1C(=O)NC1(C#N)CCOCC1 115467545 DNLXTTCRQMAUHX-UHFFFAOYSA-N 333.438 2.983 30 50 EFEA Cn1nccc1CN1C[C@@H](F)C[C@H]1C/N=C(/O)CCc1ccco1 328642914 REAGNNIVUSAJTL-ZFWWWQNUSA-N 334.395 2.515 30 50 EFEA C=CCN(C(=O)c1cccc2cc(C)oc12)[C@@H]1CCS(=O)(=O)C1 952873093 GCLNSHKICZNEIO-CQSZACIVSA-N 333.409 2.557 30 50 EFEA C[C@@H](CN1CCc2ccccc2C1)NCc1cc(C#CCO)cs1 952973199 WRDGIYXNKUSXER-INIZCTEOSA-N 340.492 2.628 30 50 EFEA Cn1/c(=N/N=C/c2cccc([N+](=O)[O-])c2O)sc2ccccc21 13195089 YNLBKFRONSRQCF-CEIRTLRLSA-N 328.353 2.788 30 50 EFEA OCC[C@@H]1CN(CC#Cc2ccccc2)CCN1Cc1ccsc1 20255564 XKMBAMOMVSZHRE-HXUWFJFHSA-N 340.492 2.668 30 50 EFEA CC(=O)Nc1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)cc1 4450899 BQBYKLAUYZKWKS-VXLYETTFSA-N 345.366 2.911 30 50 EFEA CC1(C)C[C@@H](NS(=O)(=O)CCCC#N)c2ccc(F)cc2O1 364346289 NSTTYXYBVFIOBH-CYBMUJFWSA-N 326.393 2.651 30 50 EFEA CC(C)(C)[C@@H](C#N)NC(=O)c1n[nH]c2ccc(Br)cc12 268004572 NVKYXYLFUOCEQE-LLVKDONJSA-N 335.205 2.993 30 50 EFEA Cn1cc(CN2CCC(c3nnc4n3CCCCC4)CC2)cc1C#N 670454639 YHKHTYGMPWMERI-UHFFFAOYSA-N 338.459 2.594 30 50 EFEA C[C@@H](NCc1cc(C#CCO)cs1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952973664 DGLPEMWPNAPGIJ-DMUCTKMQSA-N 345.508 2.901 30 50 EFEA Cc1noc([C@@H]2CC[C@H](CNc3snc(Cl)c3C#N)O2)n1 275235499 BDJGHIWJUDJYOH-APPZFPTMSA-N 325.781 2.692 30 50 EFEA N#C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1Cl 172026286 CQAJMHVYLQRCIG-ZDUSSCGKSA-N 330.731 2.825 30 50 EFEA CC(C)c1nccc(N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 302716340 JPFXSNYWAQFCEJ-MRXNPFEDSA-N 335.411 2.685 30 50 EFEA C=CCOc1c(Br)cc(CNC(C)(C)CO)cc1OC 6702905 RRKRJHYUAZTIAA-UHFFFAOYSA-N 344.249 2.883 30 50 EFEA Cc1c(CCO)sc[n+]1CC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 9209386 PXEDQFWOBVMMCP-CWRNSKLLSA-N 340.509 2.883 30 50 EFEA CC1(C)OB(c2cc(F)cc(C(=O)NC3CCCC3)c2)OC1(C)C 170007206 PZKFLLVFUIDTRJ-UHFFFAOYSA-N 333.212 2.797 30 50 EFEA C=CCOc1c(Br)cc(CNCCN(C)C)cc1OC 20406692 VMHCHKXNNFFKLS-UHFFFAOYSA-N 343.265 2.674 30 50 EFEA CC1(C)CN(C(=O)Cc2cccc(OCC#N)c2)[C@@H]2CCC[C@H]2O1 367018348 XPFMCOLZIOBGEB-IAGOWNOFSA-N 328.412 2.690 30 50 EFEA C[C@@]1(O)CCCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 179492241 VHGTWBFWYGFPQO-MRXNPFEDSA-N 340.345 2.613 30 50 EFEA N#Cc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)cc1 220012019 LTRJLTOGGWKOBI-MOPGFXCFSA-N 336.391 2.662 30 50 EFEA Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)N(C)CC(C)(C)C#N 871967223 GZUJDHZDDFLOAF-UHFFFAOYSA-N 344.820 2.517 30 50 EFEA Cc1cc(C)c(C#N)c(NC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)n1 886055399 BFRKGBLZWPCHMA-YJBOKZPZSA-N 335.411 2.597 30 50 EFEA O/C(CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2)=N/Cc1cccnc1 328654202 XHTVMZAQQUWXCD-QGZVFWFLSA-N 339.443 2.977 30 50 EFEA Cc1ccc(CC(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)cc1 4986183 XXHQKAQYPCUYER-UHFFFAOYSA-N 327.340 2.504 30 50 EFEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2C(=O)Nc1ccc(F)cc1 9013426 VMWNHAJTFPUPAH-LBPRGKRZSA-N 330.359 2.544 30 50 EFEA C#CCN1CCCC[C@H]1C(=O)N[C@H]1CCOc2c(Cl)cccc21 230199668 UPFLZIQEQFOMPS-HOTGVXAUSA-N 332.831 2.768 30 50 EFEA CC[C@H](OC1CCCC1)/C(O)=N/C1CC(N(CC)CC(=O)O)C1 328622659 BLNRRLMYBHFVBL-PIMMBPRGSA-N 326.437 2.618 30 50 EFEA C/N=C(/N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[C@H](c2cnn(C)c2)C1 151660404 SEXGTSAUZJHWAK-CGTJXYLNSA-N 329.492 2.754 30 50 EFEA O=S1(=O)CC[C@@H](/C(O)=N/[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)C1 330061248 NZHWFWRHPGJYSW-KGYLQXTDSA-N 345.367 2.535 30 50 EFEA CN(C[C@@H](c1cccs1)N1CCOCC1)c1ccc(C#N)nc1 267333031 CDIGZRVZGULAFE-INIZCTEOSA-N 328.441 2.524 30 50 EFEA O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 38144604 WVDJVZCLXNOQCZ-VGOFMYFVSA-N 347.243 2.563 30 50 EFEA CSc1nsc(N=C(O)N2CC[C@@H](C3CCOCC3)C2)n1 328586498 NQWWUOGBDIYGME-SNVBAGLBSA-N 328.463 2.554 30 50 EFEA C[C@@H](NCc1ccccc1CN1CC[C@@H](O)C1)c1ccc(C#N)cc1 248443123 LGUMQFAESXWNHG-IIBYNOLFSA-N 335.451 2.976 30 50 EFEA Cc1cc(-c2cc(-c3cc(C(=O)O)[nH]n3)nc(N)c2C#N)ccc1F 71735824 XMSWEQLCHOQCOP-UHFFFAOYSA-N 337.314 2.738 30 50 EFEA CC(=O)[C@@H]1C[C@H](O)[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 90649993 LQEJOAGSAHRUCT-CKBUFISISA-N 344.451 2.873 30 50 EFEA C[C@H]1CN(C(=O)NCc2cc3ccccc3o2)C[C@@H](C)N1CC#N 864095472 MUOFEAUSIGQUMF-OKILXGFUSA-N 326.400 2.561 30 50 EFEA Cc1cc([C@@H]2CCCN2C(=O)c2ccc(C#CC(C)(C)O)o2)no1 1506408622 NYMLCAFMCLSXED-HNNXBMFYSA-N 328.368 2.676 30 50 EFEA C=CCc1ccc(C(=O)N2C[C@H](c3ccncc3)[C@@H](C(=O)O)C2)cc1 212977216 MHYPWLKLMIZCBI-MSOLQXFVSA-N 336.391 2.751 30 50 EFEA N#CC1CN(C(=O)C2CCN(c3nc4ccc(Cl)cc4o3)CC2)C1 1857713950 YRTCHMOQBGGQPL-UHFFFAOYSA-N 344.802 2.680 30 50 EFEA C=CCOc1c(Cl)cc(CN[C@H]2C=CS(=O)(=O)C2)cc1Cl 55119527 LDLYKKPWDJPMEC-NSHDSACASA-N 348.251 2.959 30 50 EFEA C=CCN1C[C@H](C(=O)N(C)CCOc2cc(C)cc(C)c2)CCC1=O 55036410 YESACPAGMLDLKZ-QGZVFWFLSA-N 344.455 2.565 30 50 EFEA CS/C(C)=N/N=C/c1cc(C)cc(/C=N/N=C(\N)SC)c1O 102310815 YXDNPMNIGQDRRV-VQASKMNOSA-N 337.474 2.828 30 50 EFEA CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC(F)(F)F 170003236 UTVPADUONDVIAL-UHFFFAOYSA-N 345.126 2.843 30 50 EFEA Cn1c(C#N)ccc1C(=O)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 450278132 PBMYVRKCHMHNQE-HNNXBMFYSA-N 339.370 2.913 30 50 EFEA C[C@H]1CC[C@@H](CCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)O1 175344296 LAMWOUBIUMQHNC-GJZGRUSLSA-N 345.418 2.694 30 50 EFEA Cc1ccc(CN(CCCO)Cc2cc(C#CCO)cs2)s1 63844552 RWOQPJZDEHXGEK-UHFFFAOYSA-N 335.494 2.846 30 50 EFEA COc1cc(O)ccc1-c1cc(-c2c(C)n[nH]c2C)nc(N)c1C#N 71752626 JVAFYCMYERXCRM-UHFFFAOYSA-N 335.367 2.924 30 50 EFEA CCN1CCCC[C@@H]1C(=O)N1CCC(C#N)(c2ccccc2)CC1 97637983 GKACTYAOFNMXFN-GOSISDBHSA-N 325.456 2.945 30 50 EFEA C#CCCC1(CCC(=O)NCC2(N(C)C)Cc3ccccc3C2)N=N1 952882193 SGTQZOFDOGOGCJ-UHFFFAOYSA-N 338.455 2.558 30 50 EFEA CC[C@H]1CCCC[C@H]1NC(=O)NS(=O)(=O)c1cccc(C#N)c1 1875328481 UTCWKLIMZIRNLE-DZGCQCFKSA-N 335.429 2.515 30 50 EFEA C=CCN1C[C@@H](C)N(C(=O)CCn2cnc3ccccc32)C[C@H]1C 952961164 QJDNPDHSXVYQSL-HZPDHXFCSA-N 326.444 2.534 30 50 EFEA Cn1ccnc1[C@@H]1OCCC[C@H]1c1nnc(-c2ccc(C#N)cc2)o1 886084486 AOXJZNLDZMVOLU-HUUCEWRRSA-N 335.367 2.977 30 50 EFEA N#Cc1ccccc1CS(=O)(=O)c1ncccc1Br 408514991 XUSYMVUBDFJINZ-UHFFFAOYSA-N 337.198 2.690 30 50 EFEA CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 6493596 CXHDXNQKLQHDRJ-HNNXBMFYSA-N 338.319 2.803 30 50 EFEA N#C[C@H]1CC[C@@H](NC(=O)N2CCCN(CC3CCCCC3)CC2)C1 333394637 MREXUKCRVYTJAE-ZWKOTPCHSA-N 332.492 2.976 30 50 EFEA CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)nn2CCC#N)c1 253393147 UJDHANJGKWGFSF-UHFFFAOYSA-N 343.343 2.664 30 50 EFEA N#Cc1ccc(C(F)(F)F)nc1NCCc1cccc(C(N)=O)c1 301310192 ZACMMNHHXQNPJF-UHFFFAOYSA-N 334.301 2.726 30 50 EFEA C[C@@H](Oc1cccc(C#N)c1)C(=O)NC[C@@H](CO)CC1CCCC1 225622308 PDEVBAJDSLAAPS-PBHICJAKSA-N 330.428 2.631 30 50 EFEA COc1ccc(/C=N/n2c(S)nnc2-c2cccnc2)cc1OC 1304902 PIGMIDLSOLPMAI-GIJQJNRQSA-N 341.396 2.528 30 50 EFEA C=CCOc1cccc(C(=O)N[C@H]2CC(=O)N(CC(C)(C)C)C2)c1 12466898 XUQLDNKPKDAXRU-HNNXBMFYSA-N 330.428 2.628 30 50 EFEA CC1(C)OB(c2cc(C(F)(F)F)nn2[C@H]2CCCCO2)OC1(C)C 201193785 JHXFDRHFIZRGGF-GFCCVEGCSA-N 346.158 2.900 30 50 EFEA N#Cc1ccccc1CN1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857681343 JTLKKLGBEIJDLM-NRFANRHFSA-N 347.418 2.808 30 50 EFEA C=CC[C@@H]1N(c2ccccc2Cl)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 536070 WUUOXQDEXRFYJX-ZFHCCXERSA-N 345.782 2.656 30 50 EFEA Cn1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CCCCC3)n1 6828088 PMPSGXSJIVKDPE-UHFFFAOYSA-N 345.384 2.783 30 50 EFEA N#Cc1cccc(C(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1 91665093 FYPZNSMFTFOKCO-UHFFFAOYSA-N 337.423 2.565 30 50 EFEA Cc1ccc(C#N)c(N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)n1 685941048 PDGKLVVYAHRMRI-CVEARBPZSA-N 334.427 2.887 30 50 EFEA C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 1776007503 HUARSFQCTVBSJU-UONOGXRCSA-N 346.236 2.544 30 50 EFEA C=CCc1cc(CN2CC[C@@H](C)C[C@H]2C(=O)OC)cc(OC)c1O 170599914 SVARBLAKKGZKMU-CJNGLKHVSA-N 333.428 2.903 30 50 EFEA N#CCCN(Cc1ccco1)C(=O)Nc1cccc(N2CCC2=O)c1 280145038 MOJJIOLVCLAFDK-UHFFFAOYSA-N 338.367 2.964 30 50 EFEA CCc1nnc(NC(=O)CSc2nc(C)cc(C)c2C#N)s1 53461 VCVNLIPQNMPZMI-UHFFFAOYSA-N 333.442 2.715 30 50 EFEA CCCN1CCC(N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)CC1 219537647 SAGLIORNDLXIID-WOJBJXKFSA-N 343.471 2.559 30 50 EFEA C=CCOc1cccc(NC(=O)N2CCN(CCSC)CC2)c1 299774277 BKICNZVRJXBRMK-UHFFFAOYSA-N 335.473 2.764 30 50 EFEA C[C@H](NC(=O)[C@@]1(C#N)CCCNC1)c1ccc(C(F)(F)F)cc1 1875291778 LLJSSECIRVMKGZ-XHDPSFHLSA-N 325.334 2.776 30 50 EFEA CCn1nc(C(=O)N2CCC(CC#N)CC2)c2c1[C@H](C)O[C@H](C)C2 1875404149 WUXIYLXVPCRIDF-OLZOCXBDSA-N 330.432 2.691 30 50 EFEA Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1CCN(C)C2 170636851 MFSJENPIAPZXLD-UHFFFAOYSA-N 341.436 2.655 30 50 EFEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NC(C)C)C2 14543034 CAVBUILIQHRZBQ-HNNXBMFYSA-N 330.476 2.551 30 50 EFEA CCOC(=O)CC(=O)CSc1nc(C(F)(F)F)cc(C)c1C#N 2863431 QSKMFHRTFWJYCY-UHFFFAOYSA-N 346.330 2.895 30 50 EFEA C#CCCC1(CCC(=O)N2CC[C@@]3(Cc4ccccc4C3=O)C2)N=N1 2325900181 NZOSSSUTSVWNOI-LJQANCHMSA-N 335.407 3.000 30 50 EFEA CCc1n[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 4385296 OTUQRHWBJHVNTE-UHFFFAOYSA-N 347.469 2.910 30 50 EFEA CS[C@@H]1CN(CCCOc2ccc(C#N)cc2)C[C@H]1N1CCCC1 252511636 IXWCRHGWJUAEIF-RTBURBONSA-N 345.512 2.839 30 50 EFEA CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C/c2cccc(O)c2O)cc1 17072382 AEGMUUZUZFSSQO-MBNTZHJCSA-N 348.424 2.924 30 50 EFEA CC(C)(C)OC(=O)N1CC[C@@H](CN(CC#N)Cc2cccnc2)C1 888093316 FKFZYPJMBWSRMD-INIZCTEOSA-N 330.432 2.664 30 50 EFEA O=C1/C(=C\c2ccc([N+](=O)[O-])c(O)c2)Cc2cc3c(cc21)OCCO3 170657722 LSFSKNUFWOGTLE-XGICHPGQSA-N 339.303 2.894 30 50 EFEA C=CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccccc1O 13124804 RYXVCPJFFNQHIY-UHFFFAOYSA-N 346.456 2.844 30 50 EFEA N#CC1(C#N)[C@@H](C2CCCCC2)OC2=C(CCCC2)[C@@]1(C#N)C(N)=O 257540577 WVSCFTXQOWMCAZ-APWZRJJASA-N 338.411 2.822 30 50 EFEA C#CCCC1(CCNC(=O)c2[nH]c(C)c(C(=O)OC)c2CCC)N=N1 2325891072 PBGHHOBVBGGPLS-UHFFFAOYSA-N 344.415 2.758 30 50 EFEA C=CCNS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 4855716 IAUYVKOOWWGGFK-UHFFFAOYSA-N 331.397 2.795 30 50 EFEA CC[C@H](CO)N(Cc1cccnc1)C(=O)c1cc(F)cc(C#N)c1 55166058 LIVGVNHSZHFMCF-QGZVFWFLSA-N 327.359 2.506 30 50 EFEA Cc1nc(CN(C)[C@H]2CCCN(Cc3ccc(C#N)cc3)CC2)no1 328653872 XAZRYSDJZGUUCV-SFHVURJKSA-N 339.443 2.736 30 50 EFEA N#Cc1ccc(N2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)nc1 67559659 WUZYXIMCWMNBBI-LJQANCHMSA-N 325.387 2.914 30 50 EFEA N#Cc1c(F)cccc1N1CCN(Cc2cccc3nonc23)CC1 241738526 QYGURONJXCHZKI-UHFFFAOYSA-N 337.358 2.556 30 50 EFEA Cc1c[nH]ccc1=NCCNC(=O)CC1=C(c2ccccc2)CCC1=O 827801478 JWTBIGKKUJWTGG-UHFFFAOYSA-N 349.434 2.547 30 50 EFEA C#CCCC1(CCC(=O)NCc2ccc(C(=O)O)c(C3CC3)n2)N=N1 952878711 IBRPXUDLIVTBSX-UHFFFAOYSA-N 340.383 2.629 30 50 EFEA Cc1c(Cl)cnc(N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)c1C#N 1775958231 LRLUOLFUGDAFPA-LSDHHAIUSA-N 349.818 2.764 30 50 EFEA C=CCc1cc(CN2CC[C@H](C)C[C@@H]2C(=O)OC)cc(OC)c1O 221893433 SVARBLAKKGZKMU-XJKSGUPXSA-N 333.428 2.903 30 50 EFEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCC(C)C)C2 14748336 LLZXWLVGFNDFED-INIZCTEOSA-N 344.503 2.798 30 50 EFEA C=CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2OC)SC1=S 16667185 YWOUFOSLGMXEDS-FLIBITNWSA-N 336.394 2.991 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1 19300859 HIEYXBURGQZTNM-MRXNPFEDSA-N 326.396 2.859 30 50 EFEA Cc1ccc(S(=O)(=O)NC(=O)N(CCC#N)c2ccccc2)cc1 2869134 VGSDIDZQAVSJON-UHFFFAOYSA-N 343.408 2.814 30 50 EFEA N#Cc1ccc(N2CCN(C(=O)CCC3CCOCC3)CC2)c(F)c1 172969912 PYCDKEKTEDEMLA-UHFFFAOYSA-N 345.418 2.553 30 50 EFEA CCn1cc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1C#N 77456985 QVEZOCJLNGYTEU-FQEVSTJZSA-N 340.471 2.747 30 50 EFEA CC(=O)NCc1ccc([C@H]2CCCN2c2nc3ccccn3c2C#N)o1 240412660 FNPDMURKTCYWJQ-OAHLLOKOSA-N 349.394 2.777 30 50 EFEA CN1CCN(Cc2cc(C#CCO)cs2)[C@H](c2ccccc2)C1 320773637 HAJMMLFKTYSWLC-IBGZPJMESA-N 326.465 2.581 30 50 EFEA N#Cc1cc2c(nc1N[C@H](CO)Cc1c[nH]c3ccccc13)CCC2 1875260801 INDGMOQVGJIJJJ-INIZCTEOSA-N 332.407 2.939 30 50 EFEA C[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 191103683 TUDPWSYWDBPVOT-RISCZKNCSA-N 341.333 2.743 30 50 EFEA Cc1cc(C(F)(F)F)nc(SCCN2CCOCC2)c1C#N 19597342 SDOFETOHPRCXKT-UHFFFAOYSA-N 331.363 2.705 30 50 EFEA N#Cc1c(NC(=O)Cn2ccsc2=O)sc2c1CCCCC2 265944400 JXIVUJYBTHOUDB-UHFFFAOYSA-N 333.438 2.751 30 50 EFEA Cc1ncsc1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 277813782 XGXYQHCOICELAJ-UHFFFAOYSA-N 346.843 2.939 30 50 EFEA C=CCNC(=O)N1CC[C@]2(CCCN(CC3CCCCC3)C2=O)C1 12024338 JOOKUHPNGYYMFJ-LJQANCHMSA-N 333.476 2.777 30 50 EFEA CC(C)(C)OC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(Cl)n1 169936721 LOAWJVXTSJUHIB-UHFFFAOYSA-N 339.628 2.990 30 50 EFEA C[C@]1(/C(O)=N/[C@H]2CCN(Cc3ccc(F)cc3)C2=O)CCCOC1 330089506 VYCPEJCTCIRRCM-YJBOKZPZSA-N 334.391 2.700 30 50 EFEA C=CCN1C[C@H](C(=O)N(CC=C)Cc2ccccc2C)CCC1=O 55325815 LIURXXOIZRDKNZ-GOSISDBHSA-N 326.440 2.934 30 50 EFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCN(C2CCCC2)CC1 253426016 FKLZDXWZWDHBTG-AEFFLSMTSA-N 335.492 2.628 30 50 EFEA C[C@@H]1CC[C@@H](CCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)O1 175344275 LAMWOUBIUMQHNC-CABCVRRESA-N 345.418 2.694 30 50 EFEA C=CCOc1ccc(Br)cc1/C=N/NC(=S)NCC 2521993 ZNQGTWIHNKPTIY-CXUHLZMHSA-N 342.262 2.832 30 50 EFEA Cn1c([C@@H](C#N)C(=O)c2ccc3c(c2)CCC(=O)N3)nc2ccccc21 122187270 ATEYOJLPGXPVSW-AWEZNQCLSA-N 344.374 2.948 30 50 EFEA CCN1CCC[C@@H](CN(C)c2ncccc2C#N)[C@@H]1c1cnn(C)c1 328636642 VPVPRKOWKRGDON-FUHWJXTLSA-N 338.459 2.596 30 50 EFEA Cn1cc(C#N)cc1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 81030592 CPPNFHHVVRIOBK-MRXNPFEDSA-N 325.368 2.707 30 50 EFEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)[C@@H](O)CO 257346285 XNFSGLNHLVHCFT-KDNRZTQCSA-N 348.483 2.603 30 50 EFEA CC#CCNC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 170604264 UYBRDJDOZRJTTG-UHFFFAOYSA-N 342.420 2.805 30 50 EFEA C#CCCC1(CCC(=O)Nc2cccc(Cn3cccnc3=O)c2)N=N1 952881622 QMQXACKFTRMRGJ-UHFFFAOYSA-N 349.394 2.586 30 50 EFEA COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)OC(C)(C)C)c1 170004058 SNLKAYUWGCFHDF-UHFFFAOYSA-N 334.221 2.950 30 50 EFEA COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H]1CO1)CC2 1875372807 MUVWOTKPZWZAJE-NVXWUHKLSA-N 345.420 2.638 30 50 EFEA CC(=O)N1CCN(Cc2ccccc2NCc2ccc(C#N)cc2)CC1 187523154 HHKJDEUGCOJRHT-UHFFFAOYSA-N 348.450 2.834 30 50 EFEA Cc1ccc(-c2nc(CCNC(=O)c3ccnc(C#N)c3)co2)cc1 193076637 NTWFPARPJANBRU-UHFFFAOYSA-N 332.363 2.889 30 50 EFEA OCC#CCSc1nnc(-c2ccccc2Br)o1 2864380 BZMNKKGYGFVYLE-UHFFFAOYSA-N 325.187 2.587 30 50 EFEA C=CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccccc1 8391185 MXHGJGSUHORCGU-UHFFFAOYSA-N 328.441 2.846 30 50 EFEA C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CC2(CCOCC2)O1 279574485 VFHKUMLJLQJHSJ-AWEZNQCLSA-N 327.428 2.606 30 50 EFEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1c(C)nn(C(F)F)c1C 281501280 QPXPKSMDZDJJSG-WFASDCNBSA-N 327.375 2.535 30 50 EFEA O=c1c2c3c(sc2ncn1/N=C/c1ccc([N+](=O)[O-])o1)CCCC3 324520 MFZMDTGFONQCPX-REZTVBANSA-N 344.352 2.720 30 50 EFEA OCC#Cc1csc(CN2CCC(Cc3ccc(O)nc3)CC2)c1 1772813382 ZCLQQSZHFZZEMW-UHFFFAOYSA-N 342.464 2.647 30 50 EFEA O=C(C[C@@H]1S/C(=N/c2ccccc2)NC1=O)Nc1ccccc1 13464363 GZLHJLJEIVRVKW-AWEZNQCLSA-N 325.393 2.935 30 50 EFEA CC(C)c1nnc([C@@H]2CN(Cc3cccc(C#N)c3F)CCO2)o1 332365515 UDGHXQZVAWMJNK-AWEZNQCLSA-N 330.363 2.777 30 50 EFEA N#Cc1ccc([C@@H](O)CN2CCC(c3ccc(C#N)cn3)CC2)cc1 879025566 CBGXKCMRCLZFDR-FQEVSTJZSA-N 332.407 2.738 30 50 EFEA COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 36715 HPGUVJXGSOQLHH-ZDUSSCGKSA-N 333.409 2.848 30 50 EFEA CCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OC)cc1OC 2341985 HTQKSKYLRZBAIN-MRXNPFEDSA-N 333.384 2.788 30 50 EFEA C=CCS[C@@H](C)C(=O)N(CCOC)Cc1c(C)nn(CC)c1C 55271169 MEIAWYGIBMVYRA-HNNXBMFYSA-N 339.505 2.803 30 50 EFEA CCO[C@@H]1C[C@@H](NC(=O)c2cccc(C#N)c2C)C12CCOCC2 337798444 GMNJRECNJSAGNE-IAGOWNOFSA-N 328.412 2.571 30 50 EFEA CC[C@H](NC(=O)c1ccc(C#CC(C)(C)O)o1)c1cccc(C)n1 218911595 HYNWNJSXJZVCOZ-HNNXBMFYSA-N 326.396 2.987 30 50 EFEA N#Cc1ccc(-c2nnc(CN3C[C@H](O)Cc4ccccc43)o2)cc1 377043732 YRGWHNCOWYGURS-MRXNPFEDSA-N 332.363 2.532 30 50 EFEA C=CCn1c(SC[C@@H]2CCC[C@H](N)C2)nnc1C1CCNCC1 426518193 DDFOYBMICOVNQH-HIFRSBDPSA-N 335.521 2.541 30 50 EFEA Cc1cccc(C(=O)N2CCCN(c3nc(C)cc(C)c3C#N)CC2)n1 1772815007 BVEUSTHHFCVYBW-UHFFFAOYSA-N 349.438 2.626 30 50 EFEA CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc([N+](=O)[O-])cc1 34825 MBJZLKRKNDUXQH-HNNXBMFYSA-N 342.307 2.672 30 50 EFEA COc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccccc2)c(OC)c1 6493609 XTXTUOMOZCUZJL-MRXNPFEDSA-N 339.347 2.570 30 50 EFEA Cc1cnccc1-n1nc(C(C)C)nc1-c1cc(C#N)c(=O)[nH]c1C 67459969 BAOWCBMYBDTAKX-UHFFFAOYSA-N 334.383 2.630 30 50 EFEA Cc1nsc(N2CCN(Cc3ccc(C#N)cc3F)CC2)c1C#N 289610759 YIZRMKUCEVCXAS-UHFFFAOYSA-N 341.415 2.656 30 50 EFEA CCn1cc(CN2CCCN(c3ccc(F)cc3C#N)CC2)cn1 266308999 DEUBVVQPFINQQB-UHFFFAOYSA-N 327.407 2.626 30 50 EFEA N#C[C@H]1COCCN1C(=O)c1cc(-c2ccccn2)ccc1Cl 178823068 QUOGUTQDVSGRLU-ZDUSSCGKSA-N 327.771 2.767 30 50 EFEA C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1c1nc2c(n1C)CCCC2 275922125 JYYPIUOTUQBVGN-GOSISDBHSA-N 344.503 2.860 30 50 EFEA O=C1N/C(=N/N=C/c2ccccc2O)S[C@H]1Cc1ccccc1 13425360 QVRZSFPZCRZFBQ-LZNAANCOSA-N 325.393 2.556 30 50 EFEA C=CC/C(C(=O)OCC)=C(/C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 19642876 UELKOYROEQTTNW-ASNKMWSDSA-N 334.372 2.631 30 50 EFEA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(Cc2cccc(C#N)c2)C1 339081488 ICQPXFDPROKMLD-CABCVRRESA-N 325.334 2.590 30 50 EFEA COc1ccccc1OCCOc1cccc(/C=N/n2cnnc2)c1 2873550 ZMZUXWAJONHYOL-CIAFOILYSA-N 338.367 2.627 30 50 EFEA C#Cc1cccc(C(=O)N(CCOC)Cc2c(C)nn(CC)c2C)c1 55120199 UGPCDIVDPLABJH-UHFFFAOYSA-N 339.439 2.790 30 50 EFEA Cc1nnc(/N=C(\O)[C@H](C)N2CCN(c3ccccc3)CC2)s1 20706653 SFJYVPVFCJNZSO-LBPRGKRZSA-N 331.445 2.645 30 50 EFEA C=CCN(Cc1ccccc1Cl)C(=O)CCCN1CCOCC1 55393559 UEZSWROWYCBIPV-UHFFFAOYSA-N 336.863 2.967 30 50 EFEA OCC#Cc1ccc(CN2CCc3[nH]nc(C4CCC4)c3C2)s1 23620124 HWHDBUCUSNSOPQ-UHFFFAOYSA-N 327.453 2.641 30 50 EFEA COc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)cc1OC 22608041 YWXXGGKFIJNBAA-BMLIUANNSA-N 340.383 2.563 30 50 EFEA C#Cc1cccc(N(Cc2ccccc2)C(=O)CCn2ccnn2)c1 253392593 DMONILIUEDLYBN-UHFFFAOYSA-N 330.391 2.883 30 50 EFEA C=CCOc1cccc(NC(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OC)c1 229436018 XKDDIFSHBOCOMS-MGBSGCIJSA-N 344.411 2.961 30 50 EFEA Nc1nc(CCNC(=O)CC2=C(c3ccccc3)CCC2=O)cs1 218737084 SEQXZTCBDQBSJI-UHFFFAOYSA-N 341.436 2.591 30 50 EFEA Cc1cc(C#N)nc(N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1 285173478 VBAIKJUYSYXIOS-HUUCEWRRSA-N 348.328 2.988 30 50 EFEA N#Cc1ccc(CN2CC[C@@H](Nc3nc4ccccc4o3)C2=O)cc1 192248113 RXQPGMAWQWESHC-MRXNPFEDSA-N 332.363 2.912 30 50 EFEA C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC 4083999 OGIFJOLIUXVETI-OAHLLOKOSA-N 332.425 2.607 30 50 EFEA N#C[C@H]1CN(C(=O)c2ncccc2Oc2ccccc2)CCN1C1CC1 366899723 GSVUTFUXSUCOCD-INIZCTEOSA-N 348.406 2.686 30 50 EFEA COc1ccccc1[C@H]1O[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@H]2C 137840054 LUFYEGVOQAFEAJ-WBBBXAHXSA-N 336.351 2.670 30 50 EFEA N#CC1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)CC1 195326365 BWNXLSWGANKDRL-UHFFFAOYSA-N 340.471 2.639 30 50 EFEA N#C[C@@H]1CCCN(C(=O)NCCc2nc3ccc(Cl)cc3[nH]2)C1 426434402 BKPRQGVPLQHGPZ-NSHDSACASA-N 331.807 2.704 30 50 EFEA CN(CCC#N)S(=O)(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 248003024 NZSHVXAHTOHIPN-KRWDZBQOSA-N 346.456 2.785 30 50 EFEA O=C(c1ccccn1)[C@@H]1CCCN(Cc2cc(C#CCO)cs2)C1 952986885 GSOFRTOUWJYKEB-MRXNPFEDSA-N 340.448 2.582 30 50 EFEA N#Cc1ccc(CN2CC[C@H](NCc3cccc4[nH]ccc34)C2=O)cc1 192243239 QFXNSFFVYBPBGQ-FQEVSTJZSA-N 344.418 2.930 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)CCCc2ccccc2)cc1OC 4318731 DXFRRTIKNVKPBS-UHFFFAOYSA-N 342.395 2.890 30 50 EFEA CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1C#N 12865537 DGGTYMFHCDOFQK-UHFFFAOYSA-N 328.393 2.994 30 50 EFEA N#CC1(NC(=O)c2cc(-c3cccc(Cl)c3)on2)CCOCC1 115466550 JUGADJWZIDZNDE-UHFFFAOYSA-N 331.759 2.798 30 50 EFEA Cc1nc(C(=O)N2CCc3nc(CCC(C)C)ncc3C2)ccc1C#N 1875297312 KUBIEFSGOSAMBP-UHFFFAOYSA-N 349.438 2.839 30 50 EFEA CN(C)Cc1cc(O[C@H]2CCN(Cc3ccccc3C#N)C2)ccn1 886084524 DVEBWXGIEGWCDJ-FQEVSTJZSA-N 336.439 2.668 30 50 EFEA C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1/C=C/c1ccccc1 328586245 AVMBUIUYMLZORD-ALZIZJOTSA-N 333.457 2.643 30 50 EFEA Cc1ncsc1CCN1CCN(Cc2ccc(C#N)cc2)CC1 253393895 FLHMVJVLAVNQEB-UHFFFAOYSA-N 326.469 2.684 30 50 EFEA CC#CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cccc(F)c2)C1 497109542 UKSQCTJXXIMFDL-JKSUJKDBSA-N 346.402 2.668 30 50 EFEA C#CC1(O)CCN(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)CC1 952879765 RVRSJCQAENECRI-LBPRGKRZSA-N 338.354 2.519 30 50 EFEA CN1CCC2(CCN(c3ccc(C#N)c(Br)c3)CC2)C1=O 952963994 OFEGUDXDABDTPV-UHFFFAOYSA-N 348.244 2.769 30 50 EFEA COc1cc(OC)c(OC)cc1/C=C/C(=O)c1c(O)cc(C)oc1=O 6542605 KIJDFJLZQOKTMZ-AATRIKPKSA-N 346.335 2.576 30 50 EFEA C=C(C)COc1ccc(C(=O)NCCc2nc(C(=O)O)cs2)cc1 55042054 KESXMKGRFYKCTE-UHFFFAOYSA-N 346.408 2.769 30 50 EFEA CC(=O)N1CC[C@H](C/N=C(/O)c2cnn(-c3ccccc3C)c2C)C1 328593412 ZLFQLFAIDGBSCK-MRXNPFEDSA-N 340.427 2.662 30 50 EFEA CC1(/C(O)=N/CCN=c2[nH]cnc3ccc([N+](=O)[O-])cc23)CCC1 328591389 ATABGDSQYSWPSL-UHFFFAOYSA-N 329.360 2.519 30 50 EFEA CCC(CC)NC(=O)COc1cccc(B2OC(C)(C)C(C)(C)O2)c1 1775954701 TWDUITYIHIBWNJ-UHFFFAOYSA-N 347.264 2.669 30 50 EFEA COc1ccc(OC)c(/C=N\N2CCN(c3ccccc3)CC2)c1 5009122 AVOXTVVPFIIDCW-HKWRFOASSA-N 325.412 2.860 30 50 EFEA C#CCCC1(CCNC(=O)c2ccccc2CC2CCNCC2)N=N1 2325900598 BIVMOGNAVKAHGN-UHFFFAOYSA-N 338.455 2.924 30 50 EFEA O=C(C#Cc1ccc2c(c1)OCO2)Nc1ccc2c(c1)CCCC(=O)N2 136232120 TXVFFLKWQSXJHG-UHFFFAOYSA-N 348.358 2.680 30 50 EFEA Cn1cc([C@H]2OCCC[C@@H]2/N=C(/O)[C@@H]2C[C@@H]2c2cccnc2)cn1 328630467 PXHNFVKLUGZRFL-WCXIOVBPSA-N 326.400 2.795 30 50 EFEA N#C[C@H]1CN(C(=O)c2cccc(Oc3ccncc3)c2)CCN1C1CC1 363081627 RDECVBGXTPEONG-KRWDZBQOSA-N 348.406 2.686 30 50 EFEA CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(C#N)c(Cl)c2)C1 47988361 HFJOPRGJVKMQSO-GFCCVEGCSA-N 334.807 2.544 30 50 EFEA C=C(C)CS(=O)(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 189775404 HMWKHSWBZYNMCX-CQSZACIVSA-N 347.383 2.567 30 50 EFEA CCc1nc(S[C@H](C)C(=O)Nc2ccccc2C)[nH]c(=O)c1C#N 5238997 KHVGSVSOKDKADL-LLVKDONJSA-N 342.424 2.632 30 50 EFEA CO[C@H]1CN(/C(O)=N/[C@@H](C)c2c(F)cccc2Cl)C[C@H]1OC 331125039 QTQGSFSFSZWRTO-TVYUQYBPSA-N 330.787 2.800 30 50 EFEA CC(=O)NC1CC([C@@H]2CCN(C(=O)c3cc(C#N)ccc3Cl)C2)C1 2325849345 MPAMZJKQUBLDFR-WLYUNCDWSA-N 345.830 2.588 30 50 EFEA COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl 196691 KUDASVLKGBNMLE-ZDUSSCGKSA-N 333.771 2.804 30 50 EFEA CCCCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O 100071581 YNDPSOLPIPLPMB-UHFFFAOYSA-N 345.313 2.700 30 50 EFEA COc1cc(/C(O)=N/Cc2nc3ccncc3n2C)cc(OC)c1C 328591715 YNXPWKJHRSXZDM-UHFFFAOYSA-N 340.383 2.799 30 50 EFEA C=CCN(CC(F)(F)F)C(=O)c1cc2c(cc1F)NC(=O)CC2 155760457 JVYDJBJJUNAJAM-UHFFFAOYSA-N 330.281 2.901 30 50 EFEA Cc1nn(CCO)cc1-c1cc(C2CCCCC2)nc(N)c1C#N 71750067 DDGZWQPRMAWGLI-UHFFFAOYSA-N 325.416 2.747 30 50 EFEA C#CC[C@@]1(C(=O)NC2(CC=C)CC2)CCN(C(=O)OC(C)(C)C)C1 1875297470 RTHIZSLXPMUSGG-GOSISDBHSA-N 332.444 2.862 30 50 EFEA CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F 169746350 LBTMJYMEGPLBQY-UHFFFAOYSA-N 329.127 2.963 30 50 EFEA CCn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)c1cccc2c[nH]nc12 328626742 MAPUWJFIEMJCRO-ZFWWWQNUSA-N 325.372 2.614 30 50 EFEA CCn1ncc([C@@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)c1C 20607896 BSPMJPSQYMOYNX-CQSZACIVSA-N 344.444 2.547 30 50 EFEA CC(C)N1CC2(CCC1=O)CCN(C(=O)c1ccc(C#N)cc1)CC2 91364907 SWRGUBMRROUVRJ-UHFFFAOYSA-N 339.439 2.811 30 50 EFEA C[C@]12CCC(=O)C=C1[C@H](O)C[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)CO)CC[C@H]12 254793294 NCYJPPVFCXZXCE-JJTFAANOSA-N 346.467 2.667 30 50 EFEA C=CCn1cc2ccc(NC(=O)N3CCC(C)(C(=O)O)CC3)cc2n1 899317745 PGZNELODBIRZHP-UHFFFAOYSA-N 342.399 2.941 30 50 EFEA CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@H](C#N)C1 79061931 INPROUMRGMMTSE-HNNXBMFYSA-N 345.399 2.768 30 50 EFEA in-vitro C[C@@H](NCCN1C(=O)c2ccccc2C1=O)c1ccc(C#N)cc1F 170072883 ISKCBDHAPUXBTO-GFCCVEGCSA-N 337.354 2.644 30 50 EFEA O=[N+]([O-])c1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 441970 SRXJBDRHYUBUTA-OQLLNIDSSA-N 339.760 2.561 30 50 EFEA CC1(C)CC(=O)C=C(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)O1 11662944 SORMMXKJOJEWBV-HNNXBMFYSA-N 346.402 2.881 30 50 EFEA Cn1nccc1[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 928995915 MGNBPVJDNZKQCY-INIZCTEOSA-N 343.818 2.721 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2CC[C@H](c3n[nH]c(C)n3)CC2)N=N1 2325891792 UPSFQJXFUNFUGH-HDJSIYSDSA-N 328.420 2.611 30 50 EFEA Cc1cc(Br)cc2c1NC(=O)/C2=N\Nc1ccccn1 4713013 QRPNGJPKTARXRF-UHFFFAOYSA-N 331.173 2.921 30 50 EFEA N#Cc1cc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1C#N 55010028 DDJGAEXFQXVESH-UHFFFAOYSA-N 347.378 2.660 30 50 EFEA C=CCn1c(CN(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)nc2ccccc21 1704344387 MYLBGADYBTWWRT-OWCLPIDISA-N 338.455 2.569 30 50 EFEA Cc1cc(=O)nc(/N=C(/NC(=O)c2ccccc2)Nc2ccccc2)[nH]1 2233507 UFJBTNGROIMBLY-UHFFFAOYSA-N 347.378 2.608 30 50 EFEA c1ccc([Si](c2ccccc2)(c2ccccc2)[C@H]2C[C@@]23CO3)cc1 169833385 KKZITRSIIVACAG-FCHUYYIVSA-N 328.487 2.700 30 50 EFEA Cn1nc(B2OC(C)(C)C(C)(C)O2)c2cc(Br)ccc21 169988720 XLLMZHRTHXSWQJ-UHFFFAOYSA-N 337.026 2.635 30 50 EFEA C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccccc2CC#N)C1=O 225795763 ATAMWEWPXPAYOA-CQSZACIVSA-N 349.390 2.895 30 50 EFEA O=S1(=O)CCCN1CC/C(O)=N/[C@H](c1cccs1)C1CC1 328877303 KMXDGKXTCWTIFX-AWEZNQCLSA-N 328.459 2.581 30 50 EFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 2981151 GYCMMZCDLHTCSH-QGZVFWFLSA-N 347.436 2.906 30 50 EFEA Cc1n[nH]cc1-c1nc([C@H]2CC[C@H](N)CC2)n(-c2ccc(C#N)cc2)n1 2100556020 BGBKRQNTYSEIFU-SHTZXODSSA-N 347.426 2.822 30 50 EFEA Cc1cc(N2CCC(CCN3CCCC3=O)CC2)nc(C)c1C#N 2356163868 VEOMDCAYIWFPME-UHFFFAOYSA-N 326.444 2.799 30 50 EFEA C#CCOc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1 6746509 GNFSSELPYWIYGA-UHFFFAOYSA-N 339.391 2.688 30 50 EFEA C=CCn1nnc(NC(=O)c2ccc(OCc3ccccc3)cc2)n1 10010732 JTBCYSZVXMYFOR-UHFFFAOYSA-N 335.367 2.690 30 50 EFEA Cc1nc(CN(C)[C@H]2CCCN(Cc3cccc(C#N)c3)CC2)no1 328625123 CTJODLQZGGGWGD-SFHVURJKSA-N 339.443 2.736 30 50 EFEA NC1=NN(c2ccccc2)C(=O)/C1=N\Nc1cccc2ccccc12 100501888 MICGTJBJNVCPQC-XLNRJJMWSA-N 329.363 2.927 30 50 EFEA CN1C(=O)C2(CCN(C(=O)c3ccccc3C#N)CC2)c2ccccc21 72138839 REDFPTJFEXIPKP-UHFFFAOYSA-N 345.402 2.709 30 50 EFEA Cc1cc(C#N)ccc1CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 185984951 DGNVKZZUMXHICC-HXUWFJFHSA-N 347.374 2.597 30 50 EFEA CC(C)c1ccc(C#N)c(N2CCCN(C(=O)c3ccncc3)CC2)n1 1772814533 FGFQKMJHISYBDT-UHFFFAOYSA-N 349.438 2.824 30 50 EFEA CC1(C)OB(c2cc(Br)cc3c2OCC3)OC1(C)C 169935312 WPLAOSMXAGBQJF-UHFFFAOYSA-N 325.011 2.683 30 50 EFEA C=CCN1CC[C@@H](O)[C@]2(CCCN(C(=O)c3ccccc3Cl)C2)C1 1857690049 UAHOLNLNOZPRAG-IEBWSBKVSA-N 348.874 2.815 30 50 EFEA Cc1cc([C@@H]2CCCN2S(=O)(=O)Cc2csc(C#N)c2)no1 913892604 VPOJVXWBLUGKBB-AWEZNQCLSA-N 337.426 2.583 30 50 EFEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 55212106 RQVKNIOSSUXDII-CZUORRHYSA-N 348.468 2.686 30 50 EFEA C#Cc1cccc(NC(=O)C(=O)Nc2cccc(-c3nccn3C)c2)c1 120556148 HZUJRGYJHYOVEA-UHFFFAOYSA-N 344.374 2.646 30 50 EFEA Cc1cccc(C)c1/C(O)=N/[C@@H]1CCc2c(nc(C)n2CCO)C1 328596861 AYAMHNMBXZKRFV-OAHLLOKOSA-N 327.428 2.663 30 50 EFEA Cc1n[nH]c([C@@H]2CN(c3cc(C#N)ccc3C(F)(F)F)CCO2)n1 126549296 IVIQJJLUECMQNX-ZDUSSCGKSA-N 337.305 2.582 30 50 EFEA Cn1nccc1[C@H]1[C@H](CNCc2ccc(C#N)cc2)CCCN1C1CC1 284465768 HUFQZMWVFHXLBM-GHTZIAJQSA-N 349.482 2.997 30 50 EFEA N#C[C@@H]1N(C(=O)c2nc3cccnc3s2)CCC[C@]12CCCCO2 239672572 BTXHRXZOIJGPLE-SUMWQHHRSA-N 342.424 2.759 30 50 EFEA Cc1nc(C(F)(F)F)c(Cn2nc(C)c(C)c(C#N)c2=O)s1 273515165 VQRCZNHARMHPIE-UHFFFAOYSA-N 328.319 2.564 30 50 EFEA CC(C)[C@@](C)(NCC(=O)NCC#N)c1ccc(Br)cc1 192372859 DQDOLMQSJODYJJ-OAHLLOKOSA-N 338.249 2.550 30 50 EFEA N#Cc1ccccc1N1CCN([C@H]2CCN(c3ccccc3)C2)CC1 1506420171 WVUYLSSNXHGTTQ-FQEVSTJZSA-N 332.451 2.959 30 50 EFEA COc1ccc(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2OC)cc1C#N 284757103 WBTKHAVBPDDWRL-YQVWRLOYSA-N 330.428 2.583 30 50 EFEA O=C([C@@H]1CO1)N1CCC(COc2ccccc2C(F)(F)F)CC1 1875373127 UOGFZGIGTKNJOA-AWEZNQCLSA-N 329.318 2.722 30 50 EFEA C=CCn1cnnc1S[C@H](C)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248376766 DOIQHLRWNUZHHZ-AIEDFZFUSA-N 334.489 2.886 30 50 EFEA C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]1/C=C/c1ccccc1 328586247 AVMBUIUYMLZORD-RAUBDSNISA-N 333.457 2.643 30 50 EFEA CCc1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2O)cc1 32575581 KISGHSJOWWJAJM-YVLHZVERSA-N 338.816 2.920 30 50 EFEA C=CCS(=O)(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 11878219 PBEIJAUHQZXYFG-INIZCTEOSA-N 329.425 2.626 30 50 EFEA C[C@H]1NCC[C@@H]1C(=O)Nc1ncc(Cc2ccccc2C#N)s1 2325786543 WJKDULTZGGZIRH-ABAIWWIYSA-N 326.425 2.542 30 50 EFEA Cn1ccnc1[C@@H](O)[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 269390064 VCLCEYDCGSPSDH-BBRMVZONSA-N 330.819 2.895 30 50 EFEA COc1cc(C)nc(N/N=C/c2ccc(Oc3cnccn3)cc2)n1 1875262093 JILIPMMWHYUQQY-KEBDBYFISA-N 336.355 2.822 30 50 EFEA N#Cc1c(F)cccc1Cn1c(Cc2ccc(F)cc2)noc1=O 1875327983 SOZVZVXSLKNCHY-UHFFFAOYSA-N 327.290 2.625 30 50 EFEA C#CCCC1(CCC(=O)N2CCO[C@@H](Cc3ccccc3)C2)N=N1 952880837 IZTHDITVWYCZNE-KRWDZBQOSA-N 325.412 2.812 30 50 EFEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2cc(C#N)ccc2F)C1 888102680 FPLSAORWXCZOGY-WBVHZDCISA-N 328.391 2.999 30 50 EFEA CCCn1nnnc1/N=C(\O)COc1ccc(Br)cc1 386314 GEKBSQBYBXYIQQ-UHFFFAOYSA-N 340.181 2.513 30 50 EFEA C[C@H]1[C@@H](N=c2cc[nH]c(C#N)c2)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 912301953 WIUFXIWONNXKHH-NKKGCODLSA-N 342.443 2.964 30 50 EFEA C#CC[C@@H](NC(=O)C1(c2cncc(Br)c2)CC1)C1CC1 2325806480 ZJWTZSKTSNYMSI-CQSZACIVSA-N 333.229 2.794 30 50 EFEA CCCOc1cc(NC)c([N+](=O)[O-])cc1B1OC(C)(C)C(C)(C)O1 170003476 CAJXCENFYKBDDB-UHFFFAOYSA-N 336.197 2.725 30 50 EFEA Cc1c(C#N)c(N2CCC[C@H](CS(C)(=O)=O)C2)nc2ccccc12 295691158 OJAOUEPXYCQKGH-AWEZNQCLSA-N 343.452 2.676 30 50 EFEA Cc1cc(C)n(C[C@@H]2CN(c3ccc(C#N)c(Cl)c3)CCO2)n1 110584993 IGGFNUODIPLBFA-INIZCTEOSA-N 330.819 2.930 30 50 EFEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccncc1Br 331241899 PDYOQKDPJBCWJY-GWCFXTLKSA-N 325.206 2.555 30 50 EFEA C=CCN(Cc1ccccc1C)C(=O)c1ccc(-n2cnnn2)cc1O 55182960 LOUONHLXTUGLKQ-UHFFFAOYSA-N 349.394 2.505 30 50 EFEA C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]1/C=C/c1ccccc1 253396960 AWSSPTWHYYQBCY-GSSPJMICSA-N 333.457 2.500 30 50 EFEA CCCCN1C(=O)CC[C@H]2CN(C(=O)c3ccccc3C#N)CC[C@H]21 72447768 QNQYAFFOCINOGD-FUHWJXTLSA-N 339.439 2.811 30 50 EFEA N#CCSCC(=O)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 242302065 YPGSMVAHJBAWNR-MFKMUULPSA-N 344.358 2.596 30 50 EFEA CN(Cc1cc(C2CC2)on1)C(=O)c1ccc(C#CC(C)(C)O)o1 299796645 OCMQEZPKWOBLAE-UHFFFAOYSA-N 328.368 2.540 30 50 EFEA COc1ccc(-c2nnc(C)o2)cc1NC(=O)c1cc(C#N)cn1C 952973080 KBWCTYKVUDYAAO-UHFFFAOYSA-N 337.339 2.516 30 50 EFEA COc1ccc(OC)c(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2)c1 75996049 YHWFWGXEYPLISO-YGRLFVJLSA-N 336.395 2.569 30 50 EFEA CC[C@@]1(CO)CCCN1CC(=O)Nc1sc2c(c1C#N)CCCC2 170603286 RPYLWDGSBQZTGX-SFHVURJKSA-N 347.484 2.674 30 50 EFEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)c2cccc3c2CCC3)C1 328622653 BLKFPXJNJYFUOM-UHFFFAOYSA-N 342.439 2.808 30 50 EFEA COc1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1OC 239175793 QQOSESNGQIQTDF-UHFFFAOYSA-N 339.439 2.856 30 50 EFEA C#C[C@@H](NC(=O)N1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1)C(C)C 253426379 UDEMOBUQBQMXOQ-CHWSQXEVSA-N 349.456 2.742 30 50 EFEA CC(C)C#CC(=O)N1CC[C@](c2nc(C3CC3)no2)(C(F)(F)F)C1 952893841 KNONJSDIJZLPMD-HNNXBMFYSA-N 341.333 2.639 30 50 EFEA C#CCCC1(CCC(=O)N2CCN(Cc3cccc(F)c3)CC2)N=N1 952879195 BGSORVQCWAGEQO-UHFFFAOYSA-N 342.418 2.826 30 50 EFEA CN(Cc1nccs1)[C@@H]1CC12CCN(c1ncccc1C#N)CC2 275701412 NGUFXVFCLURBFN-OAHLLOKOSA-N 339.468 2.901 30 50 EFEA Cc1ccc(C[C@@H]2S/C(=N/N=C/c3ccccc3O)NC2=O)cc1 4464207 SGXSBAAMNOMVAN-ZVCOJXFSSA-N 339.420 2.865 30 50 EFEA N#CC1(c2ccccc2)CCN(C(=O)[C@@H]2CCn3nccc3C2)CC1 1857673457 SQMUIKRWJSMJAK-MRXNPFEDSA-N 334.423 2.529 30 50 EFEA Cc1ccc(F)cc1CN1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 378501829 XDEPXNHVHSOTCJ-MGPUTAFESA-N 335.382 2.980 30 50 EFEA C#CCCC1(CCC(=O)N2CCN([C@H](C)c3cccnc3)CC2)N=N1 2325885765 KPNXZKKJJRBTPK-MRXNPFEDSA-N 339.443 2.643 30 50 EFEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)[C@H]2CC23CCOCC3)cn1 328618353 DQVAWKFWMKNUTC-OWCLPIDISA-N 333.432 2.896 30 50 EFEA COC(=O)[C@@H](c1ccccc1Cl)N1CC[C@H]2SC(=O)C=C2C1 34141651 JBSAZVIMJUOBNB-UKRRQHHQSA-N 337.828 2.828 30 50 EFEA in-vitro N#Cc1c(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cn2ccccc12 333577007 SVNZFXCXHLXYHR-RPLLJCPNSA-N 331.375 2.508 30 50 EFEA Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2cc(F)ccc2C#N)cn1 374306446 DKDFTYZUCZKJAK-ZWKOTPCHSA-N 328.391 2.519 30 50 EFEA COc1cccc([C@H](O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 378355962 MZLBLFLXRKHLPH-FQEVSTJZSA-N 348.402 2.916 30 50 EFEA C[C@@H](NCc1ccccc1CN1CC[C@H](O)C1)c1ccc(C#N)cc1 180646288 LGUMQFAESXWNHG-IERDGZPVSA-N 335.451 2.976 30 50 EFEA C#CCOc1cc(F)ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 195532190 PUCDBPZJIGBIRC-CABCVRRESA-N 331.391 2.538 30 50 EFEA O[C@@H]1/C(=N\Nc2ccccc2)[C@@H]2OC[C@@H](O2)[C@H]1/N=N/c1ccccc1 6339724 XMZFFOLXUKPTHA-KKDZPLOYSA-N 338.367 2.723 30 50 EFEA CCO[C@@H]1C[C@@H](/N=C(/O)N2CCC(c3ncc[nH]3)CC2)C12CCC2 329806514 NYXHGALTUCFKBA-HUUCEWRRSA-N 332.448 2.851 30 50 EFEA C#CCOc1c(I)cc(C=O)cc1OCC 2776057 BZJAHEZGCWUFJZ-UHFFFAOYSA-N 330.121 2.514 30 50 EFEA Cc1ccc(S(=O)(=O)N/N=C2\C(=O)[C@@]3(C)CC[C@H]2C3(C)C)cc1 101758766 DERMWXVVQMZLLW-YUIKVHKISA-N 334.441 2.655 30 50 EFEA N#Cc1cccc(N2CCC[C@@](CO)(Cc3ccccc3F)C2)n1 67773352 AKLCLANCQCLUGI-LJQANCHMSA-N 325.387 2.914 30 50 EFEA N#Cc1cc([N+](=O)[O-])ccc1NCCNC(=O)c1ccccc1Cl 253392684 TZNSWFWUDIXRNV-UHFFFAOYSA-N 344.758 2.962 30 50 EFEA N#C[C@H](NC(=O)c1n[nH]c2c1CCC2)c1cccc(Br)c1 127705722 RNYVVGBAWSJZQQ-ZDUSSCGKSA-N 345.200 2.656 30 50 EFEA CC#CCN1CCC2(CC1)C[C@@H](O)c1nn(C3CCCC3)cc1O2 1875395573 FJKPOAAIBPCFAX-MRXNPFEDSA-N 329.444 2.672 30 50 EFEA COc1cccc([C@@H](C/N=C(\N)Nc2ccccn2)N2CCCC2)c1 170906662 YYODKDQOEZLNBW-QGZVFWFLSA-N 339.443 2.654 30 50 EFEA CO[C@@H]1CCC[C@H](/C(O)=N/C[C@@H]2CCC3(CCOCC3)[C@H]2O)C1 329152953 BLFMHDYEFADQEH-JONQDZQNSA-N 325.449 2.716 30 50 EFEA C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1c(C)nn2C 72119393 VGYIYUGUNORJRV-ZDUSSCGKSA-N 327.384 2.776 30 50 EFEA CC(C)N1C(=O)N[C@@H]2CN(Cc3ccc(Cl)cc3C#N)CC[C@@H]21 286146284 XXSKXLMLVHLDHV-CVEARBPZSA-N 332.835 2.588 30 50 EFEA C=CCOc1ccccc1CN(CC)C(=O)[C@H](N)c1c(C)n[nH]c1C 91665245 KQQHNKVIUUIYEZ-GOSISDBHSA-N 342.443 2.640 30 50 EFEA C=CCc1c(C)nc(N)nc1N1CCC[C@H](OCc2ccccn2)C1 91724624 LSDJRVQZPQLJPB-INIZCTEOSA-N 339.443 2.676 30 50 EFEA N#Cc1ccccc1NC(=O)c1ncn(-c2ccc(F)c(F)c2)n1 252502841 UUTUGAPOGIURHT-UHFFFAOYSA-N 325.278 2.669 30 50 EFEA CN(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc(F)c(C#N)c1 952995764 YCYABROGODRZBN-UHFFFAOYSA-N 342.378 2.679 30 50 EFEA N#Cc1ccccc1N1CCCN(c2cc(N3CCCC3)ncn2)CC1 277452268 NKNZLJVILIYSSM-UHFFFAOYSA-N 348.454 2.665 30 50 EFEA C=CCCN1CC[C@@H](O)[C@]2(CCCN(C(=O)CCC(F)(F)F)C2)C1 1857682274 IAIKWBRGNPMUCV-GDBMZVCRSA-N 348.409 2.580 30 50 EFEA Cc1c(F)cccc1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 421580668 WGPJKFPLTZWJBL-CQSZACIVSA-N 325.343 2.694 30 50 EFEA CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(O)=Nc1ccsc1 328622350 BEJMWMODHXWCBA-ZFWWWQNUSA-N 349.435 2.628 30 50 EFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccsc1 2820153 MLZXPNCCKXHGIT-MRXNPFEDSA-N 347.436 2.906 30 50 EFEA C=CCN(CC=C)C(=O)CN1CCc2nc[nH]c2C12CCCCC2 65408079 QCPZJCBSBZNTPP-UHFFFAOYSA-N 328.460 2.628 30 50 EFEA Cc1csc([C@@H]2CN(c3nc4ccccn4c3C#N)CCO2)n1 240912254 IWWNBQUNNMXCLC-ZDUSSCGKSA-N 325.397 2.549 30 50 EFEA N#CCSCC(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 242302064 YPGSMVAHJBAWNR-GXFFZTMASA-N 344.358 2.596 30 50 EFEA CCO[C@H]1CN(C)C[C@@H]1NC(=O)Nc1ccc(C#N)c2ccccc12 95498103 BRCWQUNGYGNDBQ-ROUUACIJSA-N 338.411 2.552 30 50 EFEA CCc1ccccc1N1CCN(C(=O)Nc2ccc(C#N)nc2)CC1 299756315 GJUWEQSGBOUWAR-UHFFFAOYSA-N 335.411 2.870 30 50 EFEA CC[C@H]1CCCC[C@@H]1NC(=O)NS(=O)(=O)c1cccc(C#N)c1 1875328484 UTCWKLIMZIRNLE-ZFWWWQNUSA-N 335.429 2.515 30 50 EFEA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2cccc(C#N)c2C)C3)o1 952851807 WMRVDPRUASVJQQ-KXBFYZLASA-N 336.395 2.752 30 50 EFEA CCOc1cc(/C=N/N2CCN(c3ccccc3)CC2)ccc1O 136551 XAJCFJLXDFGZTE-HMMYKYKNSA-N 325.412 2.947 30 50 EFEA N#Cc1ccc(C(=O)C[n+]2ccc(C(=O)c3ccccc3)cc2)cc1 5899738 FFRMGLMSPOXLKG-UHFFFAOYSA-N 327.363 2.960 30 50 EFEA COC(=O)c1ccc(/C=N/Nc2nncc(-c3ccccc3)n2)cc1 13477127 LDNJJELNVBAREU-YBFXNURJSA-N 333.351 2.771 30 50 EFEA COc1cccc(/C=N/N2CCN(Cc3ccccc3)CC2)c1OC 19771482 HWZLCXFEKXKQPV-RCCKNPSSSA-N 339.439 2.856 30 50 EFEA OC1=N[C@@H](C(F)(F)F)CC[C@H]1/C(O)=N/[C@@H]1CCc2c[nH]nc2C1 329888529 ZAYXTRLYLQCHDY-WCABBAIRSA-N 330.310 2.521 30 50 EFEA COc1ccc(/C=C/c2nc(C#N)c(N3CCOCC3)o2)cc1OC 4866434 CIQNLOCUPVDQMS-GQCTYLIASA-N 341.367 2.570 30 50 EFEA OC1=NC[C@@H](/N=C(/O)Nc2ccc(OC(F)F)c3cccnc23)C1 328596025 OHRBMIZENHJSFG-QMMMGPOBSA-N 336.298 2.891 30 50 EFEA CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1[C@@H]1COCC[C@H]1O 331987286 UCBFEWHURHYMKH-QXAKKESOSA-N 328.456 2.850 30 50 EFEA Cc1cc(C#N)nc(N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)n1 284952312 JUMNRPTWMZPSMI-WFASDCNBSA-N 348.328 2.988 30 50 EFEA Cc1ccnc(NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1C#N 371696162 JRTNXETWGXVPQO-KRWDZBQOSA-N 334.423 2.765 30 50 EFEA CCOC(=O)[C@]1(C)[C@H](C)CCC[C@@]1(O)C#CCO[C@@H]1CCCCO1 43762344 CVILZSNPLPWYFS-ZAWLATJESA-N 338.444 2.654 30 50 EFEA Cc1nc(N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)c(C#N)c(C)c1C 252570559 WTYNQUDGDBZBBW-UKPHBRMFSA-N 325.416 2.536 30 50 EFEA C=CCN1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 12343746 ABTYBCGWHPXXMF-UHFFFAOYSA-N 329.227 2.702 30 50 EFEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCC(C)C)C2 14748335 LLZXWLVGFNDFED-MRXNPFEDSA-N 344.503 2.798 30 50 EFEA CN(C)CCC[C@@](O)(c1ccc(F)cc1)c1ccc(C#N)cc1CO 5046720 GNULRNVWXYXBQY-HXUWFJFHSA-N 342.414 2.767 30 50 EFEA in-vitro C#CCCC1(CCNC(=O)[C@H](N)[C@H](c2ccccc2)C(C)C)N=N1 2325900829 KSRDPAFREYSARH-DLBZAZTESA-N 326.444 2.835 30 50 EFEA C/C(=N\NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cn(C)nc1C 17072440 WFHKRKAYOPGIPW-LDADJPATSA-N 348.472 2.729 30 50 EFEA N#C[C@@H]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 1875268096 SYPOOSYUYSYTPJ-JTQLQIEISA-N 345.200 2.825 30 50 EFEA Cc1nnc([C@H]2C[C@@H](O)CN2c2ccc(C#N)c(C(F)(F)F)c2)o1 1775957530 ZGDCHMIWOFMGHV-DGCLKSJQSA-N 338.289 2.581 30 50 EFEA N#C[C@H]1CCC[C@H]1S(=O)(=O)NCc1ccc(Br)s1 1775989178 GDNHRWKVFDHXHS-PSASIEDQSA-N 349.275 2.622 30 50 EFEA CC1(C)OB(c2cc(Br)c(F)c3c2OCO3)OC1(C)C 169956044 MQIFCUNYOGZZBA-UHFFFAOYSA-N 344.973 2.616 30 50 EFEA CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)C(Cl)=C(Cl)C2=O 490586 QIJKSJNUTOPANC-UHFFFAOYSA-N 343.118 2.605 30 50 EFEA N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[C@H]2C[C@H]3CC[C@H]2C3)cn1 245382566 KDLHSFAGRFJHNE-LJIGWXMPSA-N 345.468 2.933 30 50 EFEA C#CCN(CC#C)C(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl 225810891 ATAMPVCZQHKABQ-UHFFFAOYSA-N 344.842 2.711 30 50 EFEA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)NCc1cc(C#N)ccc1F)CC2 242287992 YKCDNKHJYXCNRD-IRXDYDNUSA-N 344.434 2.854 30 50 EFEA Cc1c(CCO)sc[n+]1CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 245380055 PXEDQFWOBVMMCP-VNQPRFMTSA-N 340.509 2.883 30 50 EFEA CN(CCCNC(=O)c1cccc(C#CC(C)(C)O)c1)C1CCCC1 952975028 XMRRIFUFDHWWCF-UHFFFAOYSA-N 342.483 2.803 30 50 EFEA Cc1ccc(NCc2cccc(NC(=O)Cn3cccn3)c2)nc1C#N 170604906 FZIAZMKKJCBWOP-UHFFFAOYSA-N 346.394 2.709 30 50 EFEA Cc1nc(N=C(O)N2CCOCC3(CC3)C2)ccc1Br 330121953 BQUGISMCQFTWPF-UHFFFAOYSA-N 340.221 2.810 30 50 EFEA Cc1cc(N2CCN(c3ncnc4ccccc34)CC2)nc(C)c1C#N 2356151206 XDZXOXPLGFMROM-UHFFFAOYSA-N 344.422 2.840 30 50 EFEA CC(C)c1nnc2n1C[C@H](/N=C(/O)N1CCC(F)(F)[C@@H](C)C1)CC2 329664666 PNUGTGXAKNJAEJ-NWDGAFQWSA-N 341.406 2.607 30 50 EFEA COc1ccc(OC)c(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1 183934925 LMHVCRNINYQACK-FQEVSTJZSA-N 336.391 2.885 30 50 EFEA OC(C(F)(F)F)(C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F 95682114 GKDCWKGUOZVDFX-UHFFFAOYSA-N 334.056 2.698 30 50 EFEA in-vitro C=CCN1C(=O)[C@@](O)(CC(=O)c2c(C)coc2C)c2ccccc21 528599 VNSOHWBZTKONGW-LJQANCHMSA-N 325.364 2.890 30 50 EFEA CCCn1cc(/C(O)=N/[C@H]2CCCO[C@@H]2c2cnn(CC)c2)cn1 328625437 KTGPFNDXPBZAQS-JKSUJKDBSA-N 331.420 2.734 30 50 EFEA N#Cc1c[nH]c(C(=O)N2CCC[C@@H](Cn3cnc4ccccc43)C2)c1 366629936 KXKQILWMUMJATA-CQSZACIVSA-N 333.395 2.788 30 50 EFEA COC(=O)CCn1cc(-c2cc(C3CCCC3)nc(N)c2C#N)cn1 71749221 BECQIHOZWBSTKB-UHFFFAOYSA-N 339.399 2.620 30 50 EFEA CN(C)C[C@H]1CN(C(=O)c2ccc(F)c(C#N)c2)c2ccccc2O1 375165417 KOPGYUALMWJXBC-HNNXBMFYSA-N 339.370 2.667 30 50 EFEA Cc1ccc(N2CCCC2=O)cc1NC(=O)N1CCC[C@H](C#N)C1 426399370 HWACHUXFFQDUMI-CQSZACIVSA-N 326.400 2.889 30 50 EFEA O=C1Nc2cc(Br)cnc2N/C1=C/C(=O)c1ccco1 334163466 TXEBVJCKMDDMMM-WEVVVXLNSA-N 334.129 2.568 30 50 EFEA O=S(=O)(N/N=C\c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 32575570 ZKZXBYSZLOHKRS-ODLFYWEKSA-N 344.371 2.528 30 50 EFEA CCCn1cc(CNC(=O)Nc2ccc(OCC)c(C#N)c2)cn1 299773591 DTALZUXLPIQGNC-UHFFFAOYSA-N 327.388 2.885 30 50 EFEA CC(C)[C@]1(C(=O)O)C[C@@H]1C(=O)NC(C)(C)Cc1ccc(C#N)cc1 899834797 LDIZCMIHDANSED-DNVCBOLYSA-N 328.412 2.742 30 50 EFEA C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CCOc1ccccc1F 137599711 UEOSLYHVDIXVJV-OAHLLOKOSA-N 347.434 2.867 30 50 EFEA Cc1ccc(C)c([C@@H]2CCCN2S(=O)(=O)N(C)C[C@@H](C)C#N)c1 240934439 JCBRLFHNRVNWPC-YOEHRIQHSA-N 335.473 2.777 30 50 EFEA C=C(C)CN(CC)C(=O)CN1CCC[C@H]1c1nc2c([nH]1)CCCC2 275884517 HDLPVYGNPWCBOU-KRWDZBQOSA-N 330.476 2.850 30 50 EFEA COc1cccc([C@H]2C[C@@H](O)CN2CCOc2ccccc2C#N)c1 225728643 JQQVJQXGDXZUKZ-IEBWSBKVSA-N 338.407 2.754 30 50 EFEA C=CCN1C[C@H](C(=O)Nc2nc3c(s2)CCCCCC3)CC1=O 1529179318 XANHQTHRPWIAFA-GFCCVEGCSA-N 333.457 2.775 30 50 EFEA COc1ccccc1N1CCN(/N=C\c2ccccc2[N+](=O)[O-])CC1 5052584 BPOLBBXOCLEQRW-RGEXLXHISA-N 340.383 2.760 30 50 EFEA C=CCOc1ccccc1[C@H](c1c(O)n[nH]c1C)c1c(C)n[nH]c1O 19799827 CWAYJAFDSQXMSM-UHFFFAOYSA-N 340.383 2.906 30 50 EFEA COc1ccc(NC(=S)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 2506348 AVECWCZLFGZKPE-MHWRWJLKSA-N 330.369 2.924 30 50 EFEA O/C(=N/C[C@@H]1C[C@H](F)CN1Cc1nccs1)C1=COCCC1 328655020 XYQZZXHTFOZGMQ-STQMWFEESA-N 325.409 2.706 30 50 EFEA CCOc1ncccc1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 378295304 OVPUHLIUPZCDFA-KRWDZBQOSA-N 337.379 2.566 30 50 EFEA C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C 221855335 ZRPVPJUNHDXNEZ-CABCVRRESA-N 330.428 2.569 30 50 EFEA Cc1ccc(S(=O)(=O)/N=C(\O)Nc2cccc([N+](=O)[O-])c2)cc1 337799 UXEKFASJJKJHMD-UHFFFAOYSA-N 335.341 2.618 30 50 EFEA COc1ccc([C@@H]2NC(=N)N/C(=N\c3ccc(Cl)cc3)N2)cc1 3077722 RFBGTHIOWPRFRD-CQSZACIVSA-N 329.791 2.752 30 50 EFEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NC1CCCCCC1)C2 14752205 ZQXUUNVSAGDTIS-INIZCTEOSA-N 344.503 2.941 30 50 EFEA CNc1cc(N2CCC[C@@H]2CNc2ncc(C#N)cc2Cl)ncn1 114709468 DVQFOOFIFSYLMN-GFCCVEGCSA-N 343.822 2.519 30 50 EFEA Cc1ccc(F)cc1CN1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 378501827 XDEPXNHVHSOTCJ-FOIQADDNSA-N 335.382 2.980 30 50 EFEA N#Cc1nc(-c2ccccc2)oc1N1CCN(C(=O)c2ccco2)CC1 6661175 JFQAQKOICFMDIJ-UHFFFAOYSA-N 348.362 2.769 30 50 EFEA N#Cc1cnn2c(O)cc(CN3CCCCc4ccccc4C3)nc12 2325790779 KIWLTJSOECKZOX-UHFFFAOYSA-N 333.395 2.645 30 50 EFEA C/N=C1\S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1C 100635674 ZOTZOKJSBDKOAG-DNZUHHBVSA-N 327.409 2.728 30 50 EFEA N#C[C@@H](NC(=O)c1ncccc1Br)c1ccccc1F 252489509 JSEPSXCMDNTHRO-GFCCVEGCSA-N 334.148 2.978 30 50 EFEA Cc1cc(F)ccc1C1CCN(/C(O)=N/C[C@@H]2COCCO2)CC1 330185094 IWUXEGYOOJYDPU-MRXNPFEDSA-N 336.407 2.643 30 50 EFEA COc1ncc(-c2cc(-c3c(F)cccc3F)nc(N)c2C#N)cn1 71614223 DSSRKRRRWPZYIW-UHFFFAOYSA-N 339.305 2.946 30 50 EFEA N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)NCc1ccccc1 334162091 JHEXKIGOATZDGF-UHFFFAOYSA-N 339.376 2.692 30 50 EFEA N#C[C@H]1CC[C@H](NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 170598051 XWZFQZTYFHXDQT-ONGXEEELSA-N 340.210 2.532 30 50 EFEA N#Cc1cc(Cl)ccc1CN1CCCC[C@H]1c1n[nH]cc1C(N)=O 780071169 OIGNBAWWJCVAFY-HNNXBMFYSA-N 343.818 2.761 30 50 EFEA Cn1cc(C#N)cc1C(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529118677 OAWKKKSPDXAAHZ-RBUKOAKNSA-N 335.407 2.889 30 50 EFEA C=CCn1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c2ccccc21 101021174 XLWQJNOLXOZJFU-ASSVNYGOSA-N 345.402 2.968 30 50 EFEA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)c2ncccc2C#N)cs1 328605694 OWJJMILRPPYHNV-HOCLYGCPSA-N 345.447 2.767 30 50 EFEA O=S1(=O)CCC2(CC1)C[C@H]2C(O)=Nc1scnc1C1CC1 328901505 ZCZKPZJCFVIYHC-JTQLQIEISA-N 326.443 2.823 30 50 EFEA CO[C@@H](C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)c1cnn(C)c1 360699104 HGBQJGGUKDKPQK-DLBZAZTESA-N 340.427 2.786 30 50 EFEA N#Cc1ccc(O)c(-c2ccc(C(=O)NCC3CCNCC3)cc2)c1 534592021 HOHYYCYUFSCINY-UHFFFAOYSA-N 335.407 2.660 30 50 EFEA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1ccc(OC)c(C#N)c1 275711355 YHYGOBNALNQNBS-HNAYVOBHSA-N 340.427 2.651 30 50 EFEA Cc1ccc(S(=O)(=O)/N=C2\C=CC(=O)C(Br)=C2)cc1 207185 TVSOQMUWVNTQPH-XNTDXEJSSA-N 340.198 2.542 30 50 EFEA CCCCCCCCn1c(N[C@@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 53306930 OVWFPGLFCAQGJO-ZDUSSCGKSA-N 349.479 2.994 30 50 EFEA CCNc1cc(OCC)c(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] 170003403 QCVWMYQYMWJCOR-UHFFFAOYSA-N 336.197 2.725 30 50 EFEA O=C(NCCCN1CCOCC1)c1ccc(C#Cc2ccccc2)cc1 22109334 FWDWEQZLCMBUDU-UHFFFAOYSA-N 348.446 2.539 30 50 EFEA OC(=Nc1nccn1-c1ccccc1)N1CC[C@H](CN2CCCC2)C1 328596137 UNTRDLMCNBYQRK-MRXNPFEDSA-N 339.443 2.836 30 50 EFEA CC#CC(=O)N[C@@H](CC(=O)OCC)c1cccc(Br)c1 253392288 OLQRVBLNCDYTDU-ZDUSSCGKSA-N 338.201 2.583 30 50 EFEA Cc1cc([N+](=O)[O-])ccc1OCC(=O)N(CC#N)c1ccccc1 131411736 OSAKCTCSLUXTDI-UHFFFAOYSA-N 325.324 2.839 30 50 EFEA COc1ccc(-c2nnc(S)n2N=Cc2ccc(O)cc2O)cc1 252394265 CSHNWFXMPNGJFG-UHFFFAOYSA-N 342.380 2.536 30 50 EFEA N#Cc1ccc(NC(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)cc1 866134592 CYVIZQIDQPKTTH-UHFFFAOYSA-N 346.390 2.577 30 50 EFEA C[C@@H]1CN(c2ccc(NC(=O)N3CC[C@@H](C#N)C3)cc2F)C[C@@H](C)O1 1875267488 IIHMPVAPLRRYIN-MCIONIFRSA-N 346.406 2.817 30 50 EFEA C=C1CCN(C(=O)NCc2cccc(OCC(F)(F)F)n2)CC1 1262371422 LALBIIYMWLFRMQ-UHFFFAOYSA-N 329.322 2.884 30 50 EFEA C=CCN(c1ccc(C(=O)N2CCC(C)CC2)cc1)S(C)(=O)=O 4820820 KHWFLWCYHAKRRZ-UHFFFAOYSA-N 336.457 2.511 30 50 EFEA N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(O)cc1 27195995 OFHKDLYFKPBXER-UHFFFAOYSA-N 348.391 2.795 30 50 EFEA in-vitro CN1C(=O)[C@H](c2ccccc2)CC12CCN(c1cc(C#N)ccn1)CC2 95357658 DMAZWUJRBRBBLH-SFHVURJKSA-N 346.434 2.938 30 50 EFEA N#Cc1ccc(NCC(=O)N2CCO[C@]3(CCc4ccccc43)C2)cc1 155511426 ADZROHQLHJEYBX-OAQYLSRUSA-N 347.418 2.671 30 50 EFEA Cc1ccc(C(=O)C[n+]2cccc(Br)c2)cc1[N+](=O)[O-] 4831570 KRMJDOBZJJAMTQ-UHFFFAOYSA-N 336.165 2.836 30 50 EFEA COc1ccc(/C=N/n2c(S)nnc2-c2cccnc2)c(OC)c1 4887360 SFBSQZWYLDSABW-VCHYOVAHSA-N 341.396 2.528 30 50 EFEA Cn1ccn2ncc(C(=O)N3CCC(c4cccc(C#N)c4)CC3)c12 65528138 WXGGXIHLDVUSPE-UHFFFAOYSA-N 333.395 2.564 30 50 EFEA CCc1nnc(/N=C(\O)[C@@H](C)N2CCN(c3ccccc3)CC2)s1 20018936 UHOQMMXPLWSFBV-CYBMUJFWSA-N 345.472 2.899 30 50 EFEA CCN(CC(=O)O)C1CC(/N=C(/O)CCc2ccc(OC)cc2)C1 328634110 MMWNIDAPZDYHET-UHFFFAOYSA-N 334.416 2.522 30 50 EFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c(OCC)cccc1[N+](=O)[O-] 253429519 DRVSZGCVHFEPJF-WBMJQRKESA-N 334.372 2.705 30 50 EFEA COCCOCc1ccc(CNC(=O)c2cc(C#N)oc2C)cc1 293375405 QNYIBLDGBSSDAU-UHFFFAOYSA-N 328.368 2.553 30 50 EFEA C[C@@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)CCc1ccccc1 82172029 LDGZKKLTJKSOKG-MRXNPFEDSA-N 347.418 2.755 30 50 EFEA C=CCn1cc(CN2C[C@@H](N(C)C)[C@H](c3ccc(OC)cc3)C2)cn1 91649828 ZSBYNAIYCGJTDB-VQTJNVASSA-N 340.471 2.607 30 50 EFEA OCC#Cc1csc(CN2CCC(O)(Cc3ccccc3)CC2)c1 828644609 LGESTVCWTBEBKT-UHFFFAOYSA-N 341.476 2.662 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 19314990 QRWZBUQJFCIWHJ-MRXNPFEDSA-N 342.351 2.736 30 50 EFEA Cn1nc(B2OC(C)(C)C(C)(C)O2)c2ccc(Br)cc21 169988724 NVFLBAILAWPXFF-UHFFFAOYSA-N 337.026 2.635 30 50 EFEA N#C[C@@H]1CCC[C@H](Nc2ccc(F)c(N3CCCS3(=O)=O)c2)C1 252494262 NQCKRRGRRVTPQH-OLZOCXBDSA-N 337.420 2.860 30 50 EFEA CN(C)c1ccc(-c2c(C#N)c(N)nc3c2Cc2c(O)cccc2-3)cn1 71749302 ZQVQLDZMWHOPGP-UHFFFAOYSA-N 343.390 2.940 30 50 EFEA N#Cc1cnc(N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cn1 128130628 ADTVRZDSFBRXOL-KBPBESRZSA-N 334.301 2.679 30 50 EFEA N#Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)cn1 95530480 OEAMOYBQDLSCDA-MRXNPFEDSA-N 335.411 2.580 30 50 EFEA NC(=S)C(=NNc1cccc(Cl)c1Cl)C(=O)N1CCCC1 254730090 MDFDHYBBVILBEC-UHFFFAOYSA-N 345.255 2.670 30 50 EFEA C=C(CNC(=O)N1CCOC[C@@H]1CC1CCOCC1)c1ccccc1 894852273 VCLLLIUAQOWQSR-IBGZPJMESA-N 344.455 2.927 30 50 EFEA COc1cccc(/C=N\N2CCN(c3ccc(C)cc3)CC2)c1O 15685277 WYAHWUYVYKTXKZ-ZHZULCJRSA-N 325.412 2.865 30 50 EFEA C[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](C)O1 19791882 OWACVIQXMJMVLT-RYUDHWBXSA-N 333.457 2.546 30 50 EFEA CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 4841562 GGTKSSPGIBEPJH-UHFFFAOYSA-N 343.408 2.767 30 50 EFEA C=CCNc1ccccc1C(=O)N1CCC(Oc2ncccn2)CC1 65375092 KRUUNBIUXVDTKE-UHFFFAOYSA-N 338.411 2.758 30 50 EFEA COc1ccc(NC(=O)[C@@H](C#N)C(=O)CC2CCCC2)cc1OC 130069488 QASYAEXJOYSHPU-AWEZNQCLSA-N 330.384 2.931 30 50 EFEA COc1ccc(C=NNc2cccc(C(=O)O)c2)c(C(=O)O)c1OC 254746063 UNUDNCMKRGQQSP-UHFFFAOYSA-N 344.323 2.546 30 50 EFEA N#Cc1ccc(N2CCC[C@H](c3ncc(Br)cn3)C2)nc1 952994608 RFTQFJLIONMXGA-LBPRGKRZSA-N 344.216 2.890 30 50 EFEA CCc1nc(C)sc1CNC(=O)c1ccc(C#CC(C)(C)O)o1 1506421689 KSNZEHAKFRBSKV-UHFFFAOYSA-N 332.425 2.659 30 50 EFEA N#CCCCNC(=O)c1cc(Br)cnc1Br 935338989 PHHYFEGEEGCBSW-UHFFFAOYSA-N 347.010 2.640 30 50 EFEA N#Cc1cnn2c(=O)nc(S[C@H]3CCc4c(Cl)cccc43)[nH]c12 2325873812 UORQMTJMMGKJQV-LBPRGKRZSA-N 343.799 2.722 30 50 EFEA C=CCOc1c(CNc2ccc(S(N)(=O)=O)cc2)cccc1OC 2181817 KTIIQMXMFGJINI-UHFFFAOYSA-N 348.424 2.520 30 50 EFEA CCCCCCCN1CCN(c2ncnc3c2c(C)nn3C)CC1 102705700 WYVVZIIWOBSDAL-UHFFFAOYSA-N 330.480 2.764 30 50 EFEA CN1C(=C2C(=N)N(CCc3ccccc3)CC2=O)N(C)c2ccccc21 119255159 UHRLVFQPMXHAGI-UHFFFAOYSA-N 346.434 2.889 30 50 EFEA N#CC1(NC(=O)CN2C[C@@H](O)C[C@H]2C2CCCCC2)CCCCCC1 230190726 CJUFJHTYSBFPPS-ROUUACIJSA-N 347.503 2.735 30 50 EFEA CC(C)COc1cc(N)c([N+](=O)[O-])cc1B1OC(C)(C)C(C)(C)O1 170003327 BTISGUNIHLDUPM-UHFFFAOYSA-N 336.197 2.511 30 50 EFEA Cc1cccc([C@@H](O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1 1875293532 UCIOHWSXVQKEPS-RBUKOAKNSA-N 336.391 2.500 30 50 EFEA C[C@H](C(=O)N(CCC#N)Cc1cccnc1)n1cnc2ccccc21 171473556 OJQKEKCCVKRLCT-OAHLLOKOSA-N 333.395 2.935 30 50 EFEA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccccc1Oc1ccccc1C#N 281688765 DPNQZMLMGBJCKM-CZUORRHYSA-N 349.390 2.747 30 50 EFEA O=C(C[n+]1ccc(-c2ccccc2F)nc1)c1ccc([N+](=O)[O-])cc1 5717642 PMSKMDDZTXFBPF-UHFFFAOYSA-N 338.318 2.966 30 50 EFEA Cc1ccn(CC(O)=Nc2c[nH]nc2-c2ccccc2F)c(=O)c1 328589547 GKQGNDROUQLAMF-UHFFFAOYSA-N 326.331 2.974 30 50 EFEA CC1(C)OB(c2cc(F)ccc2OCC2CCOCC2)OC1(C)C 384464207 RDJLASUFBUARRK-UHFFFAOYSA-N 336.212 2.930 30 50 EFEA O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1c[nH]c3ccccc13)[C@H]1C=C[C@H]2C12CC2 245226611 GPKIGMVEVNSPCK-YWLVJXABSA-N 331.375 2.699 30 50 EFEA CC[C@@H](NC(=O)C1(C#N)CCOCC1)c1nc2cc(C)ccc2[nH]1 299783080 NVAIHYZINCSOTK-CYBMUJFWSA-N 326.400 2.759 30 50 EFEA CC(C)(C)OC(=O)N1CCC[C@](C#N)(c2nc(CC3CC3)no2)C1 1875290855 FPUNNKKZHAGLMH-QGZVFWFLSA-N 332.404 2.814 30 50 EFEA C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1CCC(=O)N(C)CCC#N 189510086 GPPOADAXLBHVRA-PBHICJAKSA-N 349.862 2.864 30 50 EFEA CN1CCN(CC#CC[C@@](O)(c2ccccc2)C2CCCC2)CC1 19367852 MJEVIEFAJIJTHP-OAQYLSRUSA-N 326.484 2.705 30 50 EFEA Cc1ccc(S(=O)(=O)/N=C(\CN2CCCCC2)N2CCCC2)cc1 19940139 UYDUJEFLSRUZLI-VHEBQXMUSA-N 349.500 2.664 30 50 EFEA N#CC1(C#N)[C@H](c2ccccn2)O[C@@]23CCCCC[C@H]2[C@@]1(C#N)C(=N)O3 206002437 WZTBGWGNYMAMTR-STEAMIEHSA-N 347.378 2.981 30 50 EFEA N#Cc1cccc(CNC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c1 162667557 VPKBJGYAXPJNRD-GOSISDBHSA-N 337.379 2.547 30 50 EFEA CC1(/C(O)=N/CC2CCC(C/N=C(/O)C3(C)COC3)CC2)COC1 329337117 POSGKXOGEUMGSE-UHFFFAOYSA-N 338.448 2.779 30 50 EFEA C=CCC[C@H](NC(=O)N1CCCN(C(C)=O)CC1)c1ccccc1 178452353 GKJAAGLCQHTJTD-SFHVURJKSA-N 329.444 2.958 30 50 EFEA N#Cc1ccc(C(F)(F)F)nc1NC[C@@H](C(=O)O)C1CCOCC1 863732714 BGJZKUYGRLPCNO-LLVKDONJSA-N 343.305 2.511 30 50 EFEA CC(C)(C)OC(=O)N1CC[C@H]1CSc1nc(N)c(C#N)cc1C#N 952993829 RSZPVSUDIGOVMM-LBPRGKRZSA-N 345.428 2.509 30 50 EFEA C#CC[C@H](OC(=O)c1ccc2c(=O)n(CC)c(S)nc2c1)C1CC1 170654755 YXSPKDKEOVDMFR-HNNXBMFYSA-N 342.420 2.664 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(C)nn1C 20606674 OMVKRBVZEQGMQR-QGZVFWFLSA-N 343.427 2.506 30 50 EFEA N#C[C@@H]1CN(Cc2cccc(F)c2F)C[C@@]12C(=O)Nc1ccccc12 369523005 VQKNEENKIUMDFF-BFUOFWGJSA-N 339.345 2.810 30 50 EFEA C#CCCC1(CCC(=O)N2CCC(c3n[nH]c(C4CC4)n3)CC2)N=N1 2325892371 KZQIMWHNGMRXHM-UHFFFAOYSA-N 340.431 2.744 30 50 EFEA C=CCOc1c(Cl)cc(CN[C@@H]2C=CS(=O)(=O)C2)cc1Cl 55119529 LDLYKKPWDJPMEC-LLVKDONJSA-N 348.251 2.959 30 50 EFEA Cc1noc([C@H]2CN(Cc3ccccc3C(C)(C)C#N)CCN2C)n1 284816909 JGDNTINGXAAFSJ-QGZVFWFLSA-N 339.443 2.668 30 50 EFEA CN(CCC#N)C(=O)c1cc(Br)nc(Br)c1 888099752 WHAGDGCEMYVCOQ-UHFFFAOYSA-N 347.010 2.592 30 50 EFEA C=CCSc1nnc(NC(=O)CSc2nnc(C)s2)s1 2871910 URAGGMHNCFBLIM-UHFFFAOYSA-N 345.500 2.707 30 50 EFEA CC#CC(=O)N1CCC2(CC1)C[C@@H]2N(Cc1ccsc1)C(C)=O 283722259 DKYXKPXTLJBNCG-INIZCTEOSA-N 330.453 2.501 30 50 EFEA CC1(C)CCCCN(C(O)=Nc2cc(F)cc(S(N)(=O)=O)c2)C1 328597019 CLZDDSFIZYNGEV-UHFFFAOYSA-N 343.424 2.531 30 50 EFEA CCCN1CCC(/N=C(/O)Nc2ccc3ccn(C)c(=O)c3c2)CC1 329057463 MPFOOGYPVTUPLP-UHFFFAOYSA-N 342.443 2.739 30 50 EFEA N#Cc1ccc(NCc2cc3n(n2)CCN(C2CCCCC2)C3)nc1 82138342 CZTMLODTRBMWLU-UHFFFAOYSA-N 336.443 2.910 30 50 EFEA COc1ccc(NC(=O)N(C)CCN2CCCCCC2)cc1C#N 96180809 SHKSQMYMPJJHCN-UHFFFAOYSA-N 330.432 2.907 30 50 EFEA C#CC[C@@H](OC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)C1CC1 239527598 ATJKETOKLGIKJH-CQSZACIVSA-N 342.363 2.571 30 50 EFEA COC(C)(C)C(=O)N[C@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1C(C)C 91690254 FPHLRQQBGMDMKG-MSOLQXFVSA-N 343.471 2.556 30 50 EFEA CC(C)(C)n1cc(C#N)c(NS(=O)(=O)c2c[nH]c3ccccc23)n1 888099809 YGMQAXFOBTZUAU-UHFFFAOYSA-N 343.412 2.792 30 50 EFEA N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)cn1 1857673182 OKVPYBKYRUZBGP-ZVDOUQERSA-N 347.418 2.552 30 50 EFEA CCCc1nc(C)c(Cn2ccc3nc(O)c(C#N)cc3c2=O)s1 67674673 YUZFOUILYBXPDA-UHFFFAOYSA-N 340.408 2.740 30 50 EFEA Cc1nc(C#N)c(C#N)n1Cc1nn(-c2ccccc2)c2c1CCC2 155269728 SRJVFJIFTVBUBF-UHFFFAOYSA-N 328.379 2.658 30 50 EFEA N#Cc1ccc(NC(=O)N2CCC(OCc3ccccn3)CC2)cn1 96159994 AXVIXBDJPRPHMC-UHFFFAOYSA-N 337.383 2.561 30 50 EFEA Cc1cccc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 274232017 YHSGGLJKPVXQJZ-UHFFFAOYSA-N 335.411 2.611 30 50 EFEA COCCc1ccccc1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 188038287 XYMZLRCHNFTDCV-LJQANCHMSA-N 335.407 2.965 30 50 EFEA N#CCOc1ccc(CC(=O)NCc2nccn2-c2ccccc2)cc1 225701924 DGOSOCBLZLKJLB-UHFFFAOYSA-N 346.390 2.634 30 50 EFEA CC/N=C1/S[C@@H](CS(=O)(=O)c2ccccc2)CN1C(C)C 4760209 XQQWBSGOJUMBRW-UWZWCOGJSA-N 326.487 2.662 30 50 EFEA Cc1ocnc1/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328643397 YWGATOJDKGWFRA-VIFPVBQESA-N 328.294 2.766 30 50 EFEA N#Cc1ccccc1OCCN1CC[C@]2(C1)C(=O)Nc1ccccc12 375318050 HGTPGZXELLDOEV-HXUWFJFHSA-N 333.391 2.533 30 50 EFEA CC(C)(C)C(=O)O[C@H]1C[C@H]2[C@@H]3C[C@H](C=O)[C@@H](CCO)[C@@H]3C=C[C@@H]2C1 71786723 ANIOLKUWBXBYKB-VOQGBYLISA-N 334.456 2.990 30 50 EFEA C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 181282454 DNDHWKWGVCXSMK-GFCCVEGCSA-N 344.365 2.684 30 50 EFEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)Cc2cccs2)cc1 1565513607 VZDIUMIGPJGVCV-IRXDYDNUSA-N 342.420 2.515 30 50 EFEA N#CCC[C@H](C#N)CN1CCN(c2ccc(C#N)cc2Cl)CC1 277863678 UIIJCIGZRUYMCG-OAHLLOKOSA-N 327.819 2.777 30 50 EFEA COc1ccc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)cc1 238538 JXTQZEIULXAAMX-LICLKQGHSA-N 332.429 2.549 30 50 EFEA CCOC(=O)/C(O)=N/c1nnc(COc2ccc(Cl)cc2)s1 2735225 MZYUYKPSEFSLDS-UHFFFAOYSA-N 341.776 2.922 30 50 EFEA N#CC1(C#N)[C@H](C2CCCCC2)OC2=C(CCCC2)[C@]1(C#N)C(N)=O 257540579 WVSCFTXQOWMCAZ-QFBILLFUSA-N 338.411 2.822 30 50 EFEA C=CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 10328072 RAMAXHKHHQTOKH-UHFFFAOYSA-N 330.409 2.712 30 50 EFEA CC(=O)Nc1ccc2c(c1)NC(=O)C[C@H]2c1ccc(C#CCCO)cc1 65374168 PCAPTLDKNHMWIR-IBGZPJMESA-N 348.402 2.853 30 50 EFEA Cc1cc(=O)oc2cc(NC(=O)CCCCCCC(=O)NO)ccc12 64859456 YSRCADVJNRJJAV-UHFFFAOYSA-N 346.383 2.886 30 50 EFEA in-vitro N#Cc1ccnc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)c1 91350650 YFKOGQPPVSPQLL-SFHVURJKSA-N 344.422 2.977 30 50 EFEA O=[N+]([O-])c1ccc(O)c(/C=N/NC(=S)Nc2ccc(F)cc2)c1 1708407 BBDKZXQRYSBXDP-LZYBPNLTSA-N 334.332 2.760 30 50 EFEA COc1cccc(/C=N\NS(=O)(=O)c2ccc(C(C)C)cc2)c1O 17072397 VNTVOXMCSHVHEN-WQRHYEAKSA-N 348.424 2.837 30 50 EFEA O=[N+]([O-])c1cccc(C=NNc2nc3ccccc3n3cnnc23)c1 252680069 VERVUXUHHJLLBD-UHFFFAOYSA-N 333.311 2.632 30 50 EFEA Cc1cccc(N(CCC#N)S(=O)(=O)c2c(C3CC3)cnn2C)c1 888100824 YIAZZBICIQMEIN-UHFFFAOYSA-N 344.440 2.715 30 50 EFEA Cc1nc(O)c2c(n1)C1(CC2)CCN(Cc2cccc(C#N)c2)CC1 2100555092 LOMXNNALPHUVHG-UHFFFAOYSA-N 334.423 2.842 30 50 EFEA CCc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc(F)c(Cl)c2)co1 123646580 WMTIRDSXKUIPEQ-VIFPVBQESA-N 335.722 2.991 30 50 EFEA CC(=O)Nc1cccc(-c2cc(-c3cnc(C)n3C)c(C#N)c(N)n2)c1 71747613 MZOAOYATZWISPC-UHFFFAOYSA-N 346.394 2.870 30 50 EFEA N#Cc1cc2n(n1)CCCN(C(=O)/C=C/c1nc3ccccc3s1)C2 952964195 BXDGOILRNNZUGE-VOTSOKGWSA-N 349.419 2.810 30 50 EFEA CN(C)C(=O)[C@H]1CC[C@@H](C2CCN(c3cccc(F)c3C#N)CC2)O1 1775957716 JWYAYASORAOJKH-ZWKOTPCHSA-N 345.418 2.550 30 50 EFEA CC(C)c1nccc(N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 302716339 JPFXSNYWAQFCEJ-INIZCTEOSA-N 335.411 2.685 30 50 EFEA CC1(C)OB(c2ccc(C(=O)OCc3ccccc3)nc2)OC1(C)C 1772572546 FRYJUEBTYNHTMT-UHFFFAOYSA-N 339.200 2.738 30 50 EFEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(C(=O)c2cc[nH]c2)C1 1857735876 CVTVNBYFYYFZIA-OAHLLOKOSA-N 339.395 2.826 30 50 EFEA COc1cccc(CSc2sc3c(O)[nH]c(=O)nc3c2C#N)c1 4987668 APSYUAUOSPVIIN-UHFFFAOYSA-N 345.405 2.863 30 50 EFEA C=C(C)COc1ccccc1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 55393284 GISRGRZLTADSPQ-UHFFFAOYSA-N 337.379 2.741 30 50 EFEA Cc1ccncc1N/C(O)=N/[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C 328619905 GKCJHNOCSAACSN-BBRMVZONSA-N 329.404 2.596 30 50 EFEA N#CCCCOc1cc([N+](=O)[O-])ccc1I 128191616 WKPYTLYYFGWGKK-UHFFFAOYSA-N 332.097 2.882 30 50 EFEA N#CCOc1ccccc1C(=O)N1CCC([C@@H]2CCCOC2)CC1 378595723 ZOZDEDLZVZRQIM-MRXNPFEDSA-N 328.412 2.868 30 50 EFEA CN(Cc1cc(F)ccc1C#N)C[C@H]1CCCN1c1cccnn1 159899332 VZOBUDYATHHKSF-QGZVFWFLSA-N 325.391 2.588 30 50 EFEA C=CCOc1ccc(/C=N\NS(=O)(=O)c2ccc(OC)cc2)cc1 32577595 YUGNADHEMXYOJR-AQTBWJFISA-N 346.408 2.572 30 50 EFEA Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)cc1 382677319 XRAKRCWHGGQELJ-BETUJISGSA-N 326.414 2.821 30 50 EFEA C#CCCC1(CCC(=O)Nc2cc([C@H]3CCCOC3)nn2C)N=N1 952879757 AOWLEZOQQRKVLU-ZDUSSCGKSA-N 329.404 2.608 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)c2ccc(Br)cc2)cc1 5091384 MTSXBTCJGNCSGI-UHFFFAOYSA-N 349.184 2.935 30 50 EFEA CCOc1ccc(/C=C2/S/C(=N\C(C)=O)NC2=O)cc1OCC 15722905 LKXVHVLJSZCHSS-NTEUORMPSA-N 334.397 2.590 30 50 EFEA C=C(C(C)=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169833393 OZYKCNSKSITAPC-UHFFFAOYSA-N 328.487 2.841 30 50 EFEA N#Cc1ccc(N2CCN(C[C@@H](O)CC3CCCC3)CC2)c(F)c1 352856248 CSYDAPXRXAZWMR-KRWDZBQOSA-N 331.435 2.761 30 50 EFEA N#Cc1ccc(Cl)c(C(=O)N2CC[C@@H](Oc3ccncc3)C2)c1 354088386 OUXNQIRTFYTWDB-CQSZACIVSA-N 327.771 2.900 30 50 EFEA CCn1cc([C@H]2OCC[C@@H]2/N=C(/O)[C@@H]2C[C@@H]2c2cccnc2)cn1 328631868 RLWCAJXVPDWMIW-WCXIOVBPSA-N 326.400 2.888 30 50 EFEA CSc1cccc(CN(C)C(=O)c2cc(C#N)c(O)nc2C)c1 71715136 NYZBWIUZFDHXNV-UHFFFAOYSA-N 327.409 2.961 30 50 EFEA CS(C)(=O)=NC[C@@H]1CCCN(c2ncc(C#N)cc2Cl)C1 952993730 PXESTOJXTVNFNR-NSHDSACASA-N 326.853 2.551 30 50 EFEA Cn1ncc([N+](=O)[O-])c1C(=O)Nc1sc2c(c1C#N)CCCCC2 2757204 LAXCXHDWBRALOE-UHFFFAOYSA-N 345.384 2.783 30 50 EFEA N#Cc1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCC2 247778905 ZQLFEWDEONGWSL-LBLXLQPISA-N 328.393 2.570 30 50 EFEA CC1(C)OB(c2cccc(NC(=O)NCc3ccco3)c2)OC1(C)C 1772718396 ODMTZBFGNYBFMZ-UHFFFAOYSA-N 342.204 2.901 30 50 EFEA N#Cc1cccc(CNC(=O)N[C@H]2COc3c(F)cc(F)cc3C2)c1 812001759 OKDMFJDJJFLUQM-OAHLLOKOSA-N 343.333 2.639 30 50 EFEA C[C@@H]1[C@H](N=c2cc[nH]c(C#N)c2)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 912301952 WIUFXIWONNXKHH-BASLNEPJSA-N 342.443 2.964 30 50 EFEA O=C(On1c(-c2ccccc2)nc2ccccc2c1=O)c1ccco1 181754 KQYTZCTXRMUNNS-UHFFFAOYSA-N 332.315 2.926 30 50 EFEA aggregator Cc1ccc(-n2cccn2)cc1N/C(O)=N/[C@H]1CCc2c[nH]nc2C1 328594682 MYPICWDFCIANBB-AWEZNQCLSA-N 336.399 2.787 30 50 EFEA COc1cc(/C(O)=N/C(C)(C)CN2CCOCC2)ccc1Cl 331348973 NEXNLKJLTMAASV-UHFFFAOYSA-N 326.824 2.764 30 50 EFEA CN1C(=O)[C@@]2(CCCN(C(=O)c3cccc(C#N)c3)C2)c2ccccc21 72166800 QVOROGHRIROSHL-OAQYLSRUSA-N 345.402 2.709 30 50 EFEA N#Cc1cccnc1N1CCC[C@H](CNC(=O)c2cccs2)C1 952981195 RVZQKVXRNGGNDE-CYBMUJFWSA-N 326.425 2.661 30 50 EFEA Cc1ccc(N=C(O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)cn1 328629987 PITJGHCCJPXENO-ZDUSSCGKSA-N 331.376 2.515 30 50 EFEA CN1CCN(c2cccc(Br)c2C#N)C[C@H]1c1ncc[nH]1 377983050 HNCWTCQZYQECOI-AWEZNQCLSA-N 346.232 2.537 30 50 EFEA CC1(C)OB(c2cccc([S@@](=N)(=O)C(F)(F)F)c2)OC1(C)C 1857779820 OPYQZJOYZIEUFT-JOCHJYFZSA-N 335.156 2.911 30 50 EFEA COC(=O)c1cc(-c2c(C#N)c(N)nc3c2N2CCC3CC2)cs1 102766873 AFHMDLRWOSMLGW-UHFFFAOYSA-N 340.408 2.748 30 50 EFEA CC1(C)OB(c2cccc(OC(F)(F)F)c2C(=O)O)OC1(C)C 170004538 ARMVPPDWZSSFBV-UHFFFAOYSA-N 332.083 2.583 30 50 EFEA CC(=O)c1ccccc1NC(=O)CSc1nnc(C)c(C)c1C#N 182704035 GWAZHCXNUIDAAJ-UHFFFAOYSA-N 340.408 2.899 30 50 EFEA CS(=O)(=O)OCC(F)(F)c1ncc(C(F)(F)F)cc1Cl 261494985 ZYRUMXYVTBQCPJ-UHFFFAOYSA-N 339.669 2.822 30 50 EFEA C[C@@H]1[C@@H](N=c2cc[nH]c(C#N)c2)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 912301954 WIUFXIWONNXKHH-VDNDLQMASA-N 342.443 2.964 30 50 EFEA Cc1ncn(-c2ccc(NC(=O)C3CC4(CNC[C@H]4C#N)C3)cc2)c1C 2325795626 PZTMIPOXZJUMQS-LFDOHDQPSA-N 349.438 2.567 30 50 EFEA CCCCCC/C=C\CCC[C@H](O)CC(=O)N[C@H]1CCOC1=O 8436854 GFSFGXWHLLUVRK-FLELRFNZSA-N 325.449 2.866 30 50 EFEA in-vitro N#Cc1cccc(N2CCC(Oc3ccc(F)cc3)(C(=O)O)CC2)n1 72418996 CGAACMFPGDSTGX-UHFFFAOYSA-N 341.342 2.595 30 50 EFEA CN1CCCCC[C@H]1C(=O)N1CCC(C#N)(c2ccccc2)CC1 92078562 CKADJSOYWSQCRR-SFHVURJKSA-N 325.456 2.945 30 50 EFEA N#Cc1ccc(F)c(CNS(=O)(=O)C2=Cc3ccccc3OC2)c1 170608415 NZAVMFUGCCOYAS-UHFFFAOYSA-N 344.367 2.550 30 50 EFEA COc1ccccc1N1CCN(/N=C\c2cccc([N+](=O)[O-])c2)CC1 5059015 FCRSLESJQWNSRH-RGEXLXHISA-N 340.383 2.760 30 50 EFEA Cc1cc(NC(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)no1 253420070 VVPYZJZOJFZFEL-UHFFFAOYSA-N 346.337 2.988 30 50 EFEA C=CCOc1ccc(CN2CCC[C@H](C(N)=O)C2)c(OCC=C)c1 55271161 NCIVDVGFKUUIMY-INIZCTEOSA-N 330.428 2.514 30 50 EFEA N#Cc1cccnc1N1CCCN(CC[C@@H](O)c2ccccc2)CC1 375709315 DDPDDHYKUQZQMO-LJQANCHMSA-N 336.439 2.589 30 50 EFEA 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2.561 30 50 EFEA COC(=O)c1cc(C(=O)Nc2ccc(C#N)cc2)cc([N+](=O)[O-])c1 303999 OSFMDVGYJWXPQB-UHFFFAOYSA-N 325.280 2.505 30 50 EFEA C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OC(C)C 4113615 QUGKKOSMBOWDCU-MRXNPFEDSA-N 330.384 2.831 30 50 EFEA C=CC[C@H](CC)NC(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 253431495 QXDBWWJQALSKTN-NSHDSACASA-N 341.433 2.543 30 50 EFEA CC(C)NS(=O)(=O)c1cc(C(=O)O)cc(-c2ccccc2C#N)c1 71614495 VMGFHNUDDIDFQU-UHFFFAOYSA-N 344.392 2.610 30 50 EFEA CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c(C2CC2)n1 216705194 DUYMAVKOQYYUCM-UHFFFAOYSA-N 334.225 2.843 30 50 EFEA Cn1ccnc1CN(CCO)Cc1ccc(-c2ccccc2C#N)o1 223011264 IMXJBOYVKIBFSR-UHFFFAOYSA-N 336.395 2.546 30 50 EFEA N#Cc1cccc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c1 220526137 QDEFPCJOOXMAPA-MOPGFXCFSA-N 336.391 2.662 30 50 EFEA CC(=O)[C@@H]1C[C@H](O)[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]12C 257356914 LCDAMWASKLSANR-VWIAZMDYSA-N 346.467 2.665 30 50 EFEA N#Cc1c(F)cccc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 187449678 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340.305 2.570 30 50 EFEA Cc1ccnc(N2CCC(N(C)CC(=O)OC(C)(C)C)CC2)c1C#N 253431747 IBNHRSRZXRYVLQ-UHFFFAOYSA-N 344.459 2.504 30 50 EFEA CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 240321579 FAMYNOXEJURBLX-LESCRADOSA-N 330.428 2.893 30 50 EFEA Cc1ccc(C)c(C(=O)N2CCN(c3ccccc3C#N)C(=O)C2)c1 82138367 NITVPUKWSQLJRK-UHFFFAOYSA-N 333.391 2.664 30 50 EFEA Cc1nsc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1C#N 298225617 AMIYOZUQRIHNSG-NEPJUHHUSA-N 341.392 2.837 30 50 EFEA C[C@H]1CN(c2snc(Cl)c2C#N)CCN1c1ccncc1F 1775991670 SVGIRVXLGPWWLS-VIFPVBQESA-N 337.811 2.917 30 50 EFEA N#CCOc1cccc(CC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 225620066 QMSBNXLTKHTVJZ-OTWHNJEPSA-N 342.439 2.674 30 50 EFEA O=c1ccn(CC#Cc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 135307879 VEJSZUXWKTZKNY-UHFFFAOYSA-N 338.241 2.707 30 50 EFEA COc1ccc(OCC/N=C(/O)N2CC(O)=N[C@@H]3CCCC[C@@H]32)cc1 330205812 CSHBLKKODUWYSM-CVEARBPZSA-N 347.415 2.571 30 50 EFEA CCc1ccc(/C=N/NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 372829 WQPUDTURRCBDOJ-NTEUORMPSA-N 339.398 2.531 30 50 EFEA COC[C@@H]1CCCCN(C(=O)CCc2c(C)nn(CCC#N)c2C)C1 375146100 XQYJYLBESUCQGI-QGZVFWFLSA-N 346.475 2.621 30 50 EFEA CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 95093083 GGHJQNYGQBUGMG-UHFFFAOYSA-N 332.360 2.524 30 50 EFEA N#Cc1cc(C#N)c(SCc2ccc(-n3ccnc3)cc2)nc1N 191709919 WDLRZEFTIUGSLB-UHFFFAOYSA-N 332.392 2.885 30 50 EFEA C=CCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(OC)c3)C2=O)C1 11661059 HXZVGAJXBYAEBS-FQEVSTJZSA-N 342.439 2.612 30 50 EFEA O=[N+]([O-])/N=C1\NCN(c2ccc(Cl)cc2)CN1c1ccccc1 16666923 FWLCTKFAEVXVAJ-UHFFFAOYSA-N 331.763 2.719 30 50 EFEA N#Cc1ccc(N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)nc1 72428939 ILSHAXGAVCFSLH-UHFFFAOYSA-N 346.434 2.972 30 50 EFEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/C(O)=N/Cc1ncccc1F 328609853 FZFZCWOMUOGXCD-LRDDRELGSA-N 332.379 2.805 30 50 EFEA Cc1nsc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1C#N 329178842 CTPDSOPOHXODAL-UHFFFAOYSA-N 338.440 2.522 30 50 EFEA COc1ccccc1CC1(O)CCN(C[C@H](C#N)CCC#N)CC1 373967927 HJMGEAANDNTRGS-INIZCTEOSA-N 327.428 2.508 30 50 EFEA C[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)c2ccc(O)cc2)CC1 186359608 ALTXNWHLMSIEKZ-HNNXBMFYSA-N 335.407 2.783 30 50 EFEA COc1ccc(N/N=C2/Oc3c(c(=O)oc4ccccc34)C2=O)cc1 2325809576 KVXRKOPORWZJGS-LVZFUZTISA-N 336.303 2.802 30 50 EFEA C#CCCC1(CCNC(=O)c2sc(-c3ncc[nH]3)nc2C)N=N1 2325891699 WMQRVEPHIVXBIX-UHFFFAOYSA-N 328.401 2.537 30 50 EFEA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C(=O)Nc1ccc(F)cc1C#N 249169860 KXRDVDFUARMCRL-XHBSWPGZSA-N 329.375 2.815 30 50 EFEA CCn1nccc1[C@@H]1OCC[C@H]1C(O)=Nc1cnc(C2CC2)nc1 328615549 AWOWNDBQCBSKDF-UKRRQHHQSA-N 327.388 2.936 30 50 EFEA N#Cc1cnc(N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cn1 128131323 ADTVRZDSFBRXOL-ZIAGYGMSSA-N 334.301 2.679 30 50 EFEA C[C@H]1CC(=O)NCCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 371041100 NHPGNHJVCCSABI-AWEZNQCLSA-N 349.390 2.701 30 50 EFEA COc1cccc([C@@H]2C[C@H](C)CN2CC(=O)N[C@@](C)(C#N)C2CC2)c1 374603809 LRXMACOXPSFGJY-DCPHZVHLSA-N 341.455 2.887 30 50 EFEA Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2ccc(C#N)o2)C1 190458412 UJUBBZRPLIGEBJ-AWEZNQCLSA-N 330.457 2.870 30 50 EFEA CC(=O)N1C(=O)/C(=C\C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 290262 WNLAKPQEYJMQAE-GDNBJRDFSA-N 336.303 2.754 30 50 EFEA Cn1ccc([C@@H](/N=C(/O)c2ccnnc2)c2ccc(Cl)cc2)n1 328587461 WMYAPCYYMIARGE-HNNXBMFYSA-N 327.775 2.958 30 50 EFEA CC(C)c1nc([C@H]2CN(c3ncc(C#N)cc3Cl)CCO2)no1 361831580 SAOHYBWZWULFAD-GFCCVEGCSA-N 333.779 2.691 30 50 EFEA C#CCCC1(CCC(=O)NCCN(C)[C@H](C)c2ccccn2)N=N1 2325892935 UPKDNBBRMXVUKK-OAHLLOKOSA-N 327.432 2.546 30 50 EFEA CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2ccc(F)cc2C#N)C1 344723706 QOPJGBPHEICZOZ-CVEARBPZSA-N 341.390 2.655 30 50 EFEA N#Cc1cccc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c1 67956101 NSOCGPXNQBIRDG-ZWKOTPCHSA-N 336.391 2.637 30 50 EFEA N#Cc1cc([N+](=O)[O-])c(NC[C@H]2CCCO2)cc1NC[C@H]1CCCO1 285734547 SWWGJSYHHGUGRM-ZIAGYGMSSA-N 346.387 2.648 30 50 EFEA N#C[C@@H]1CN(C(=O)c2cc(-c3ccccn3)ccc2Cl)CCO1 179055007 QJJMJWUYKHXSFC-CYBMUJFWSA-N 327.771 2.767 30 50 EFEA N#Cc1ccc(NC(=O)CN2CCC[C@@H](c3cn[nH]c3)C2)cc1Cl 1775985813 RJALBHZMKNTGQN-CYBMUJFWSA-N 343.818 2.753 30 50 EFEA C=CCNc1ccccc1C(=O)N(CCO)Cc1ccccc1OC 55166195 OZHMTPBGKGLEOM-UHFFFAOYSA-N 340.423 2.928 30 50 EFEA N#Cc1cnn(-c2ccccc2)c1N=C(O)CN[C@H]1CCC[C@@H]1C#N 328593508 CPKHXFGMNRWXFO-CJNGLKHVSA-N 334.383 2.614 30 50 EFEA CC(C)(C)O/C(O)=N/CC/C(O)=N/Cc1cn2c(n1)SCC2 328594476 MSHQFYFTBZVTHP-UHFFFAOYSA-N 326.422 2.565 30 50 EFEA Cc1cc(C)n(-c2ccc(-c3noc(-c4cc(C#N)c[nH]4)n3)cn2)n1 178406851 XDUMLIYIBQXFEY-UHFFFAOYSA-N 331.339 2.801 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cn(C)nc1C 20606630 UPNXXRJVUOCIHS-MRXNPFEDSA-N 343.427 2.506 30 50 EFEA N#Cc1ccnc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)c1 91350649 YFKOGQPPVSPQLL-GOSISDBHSA-N 344.422 2.977 30 50 EFEA C#CCCC1(CCC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)N=N1 952879838 ABOGHMDFOYYERF-INIZCTEOSA-N 330.407 2.900 30 50 EFEA CS(=O)(=O)[C@@H]1CCCN(c2cc(C#N)ccc2C(F)(F)F)C1 274693270 KPSCZYYJHVBJBR-LLVKDONJSA-N 332.347 2.590 30 50 EFEA C[C@H]1CCCN(C(=O)C2CCN(c3c(C#N)cccc3C#N)CC2)C1 302828133 ILDRKFSHCMKUMP-HNNXBMFYSA-N 336.439 2.905 30 50 EFEA CCOc1ccc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)cc1 238547 IFIJZNCOBBZODS-WOJGMQOQSA-N 346.456 2.939 30 50 EFEA C=CCn1c(CNC(=O)CCc2ccc(C)cc2)nnc1SC 14968462 GFTZYYICFDIACJ-UHFFFAOYSA-N 330.457 2.743 30 50 EFEA Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 800726626 QWHDIPPKOMEITD-GOSISDBHSA-N 345.406 2.932 30 50 EFEA N#Cc1cccnc1NCCOC(=O)c1cc(F)cc2ccncc12 2325854678 PVVZDQVSFPOLBK-UHFFFAOYSA-N 336.326 2.909 30 50 EFEA C#CCCC1(CCNC(=O)[C@@H](C)Cc2cnc3ccccc3n2)N=N1 2325887405 OLPNPHCMFNAOMX-AWEZNQCLSA-N 335.411 2.890 30 50 EFEA CCCC(=O)C1=C(N2CCCCC2)CC(C)(C)[C@@H](C(=O)OC)C1=O 287165 KPXMINXTRXIWEN-MRXNPFEDSA-N 335.444 2.884 30 50 EFEA CC(C)(C)OC(=O)N1C[C@H](Cc2ccc(C#N)cc2)C[C@H]1C(=O)O 4241474 FLPKPHIPSKPATG-CABCVRRESA-N 330.384 2.811 30 50 EFEA C#Cc1ccc(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)cc1 20352021 BKDKBPGSKPAQKZ-FQEVSTJZSA-N 338.451 2.638 30 50 EFEA N#CCCN(C[C@H]1CCOC1)C(=O)c1ccc2nc(S)oc2c1 121652733 PLHNUPSONGUPEZ-LLVKDONJSA-N 331.397 2.509 30 50 EFEA N#Cc1cnn(-c2ccccc2)c1N=C(O)CN[C@@H]1CCC[C@@H]1C#N 328593509 CPKHXFGMNRWXFO-CZUORRHYSA-N 334.383 2.614 30 50 EFEA CC1(C)OCC[C@H]1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 333052278 GWOWUBONIJSCLA-QGZVFWFLSA-N 345.418 2.597 30 50 EFEA N#Cc1c[nH]c(C(=O)N2CCC[C@H](Cn3cnc4ccccc43)C2)c1 366629933 KXKQILWMUMJATA-AWEZNQCLSA-N 333.395 2.788 30 50 EFEA Cc1n[nH]c(C)c1CCCNC(=O)c1cccc(C#CC(C)(C)O)c1 952979021 UERDWKFQVFWKSE-UHFFFAOYSA-N 339.439 2.512 30 50 EFEA CN1CCC[C@@](C)(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 225604684 VHQDNNQMFRWWAT-IBGZPJMESA-N 329.444 2.564 30 50 EFEA C=CCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 4457201 INKXFOKHNVOYGC-NTCAYCPXSA-N 330.409 2.746 30 50 EFEA COc1ccccc1OCCOc1ccccc1/C=N/n1cnnc1 2873534 QZEGUIUJPDEICR-CIAFOILYSA-N 338.367 2.627 30 50 EFEA COc1cc(CN2CCOC[C@@H]2[C@H]2CCC[C@H]2OC)ccc1C#N 344612645 ZIFYAKDHEZDGFO-KZNAEPCWSA-N 330.428 2.583 30 50 EFEA COc1ccc([C@@H]2CC(=O)C=C(NCCc3c[nH]cn3)C2)cc1OC 100432703 BDICAURQQHSWDV-AWEZNQCLSA-N 341.411 2.590 30 50 EFEA CC1(C)OB(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)OC1(C)C 170004713 SFNVYAMGSDXMTI-UHFFFAOYSA-N 338.427 2.867 30 50 EFEA CC(C)c1noc([C@@H](/N=C(/O)C2(O)CCCC2)C2CCOCC2)n1 328610483 HZDJNPKRWVKQGJ-ZDUSSCGKSA-N 337.420 2.922 30 50 EFEA Cc1noc(C)c1[C@@H](C)CC(=O)N1CC(Oc2ccc(C#N)cc2)C1 130359693 BZPYATIMBCCNTH-LBPRGKRZSA-N 339.395 2.947 30 50 EFEA Cc1cc(CN2CC[C@H](C3CC3)[C@@H]2c2nnc(O)n2C)ccc1C#N 1875399290 VCEFFPUJKNZUAW-IAGOWNOFSA-N 337.427 2.674 30 50 EFEA Cc1cc(NC(=O)N2CCC[C@@]2(CO)CC(C)C)nn1CCC#N 276647443 PLGLZZCSHZQTKO-KRWDZBQOSA-N 333.436 2.510 30 50 EFEA CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C)cc1 6493587 XFQVKRDSAHPEEL-QGZVFWFLSA-N 336.391 2.961 30 50 EFEA C[C@H]1C[C@@H](NC(=O)C2(C#N)CCCC2)CCN1C(=O)OC(C)(C)C 225572935 QLTHPVJDBOCSHB-KBPBESRZSA-N 335.448 2.975 30 50 EFEA COc1ccccc1/C=N/N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 4795973 RZGCWBGFAPBQBK-AMRJIULGSA-N 344.436 2.723 30 50 EFEA C#C[C@H](NC(=O)N1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1)C(C)C 253426385 UDEMOBUQBQMXOQ-QWHCGFSZSA-N 349.456 2.742 30 50 EFEA N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCc3ccccc32)c1 365086542 BMSOOPSIAQKQSO-IBGZPJMESA-N 345.402 2.639 30 50 EFEA CC(C)(C)CN1CCC[C@]2(CCN(c3ncccc3C#N)C2)C1=O 426374452 YKZDLPBOKSBXTM-LJQANCHMSA-N 326.444 2.818 30 50 EFEA C[C@H](CNc1oc(/C=C/c2ccccc2)nc1C#N)N1CCOCC1 826802932 PJCYJVHRXIESGC-MVGZEHJDSA-N 338.411 2.849 30 50 EFEA CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1 381146 DOZZDPBOVVTKQI-DZGCQCFKSA-N 335.787 2.803 30 50 EFEA CC(=O)C1=C(O)[C@@H]2[C@@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O 100151253 SZINUGQCTHLQAZ-VUCTXSBTSA-N 336.391 2.828 30 50 EFEA in-vitro CCN1CCOC[C@@H]1/C(O)=N/CCc1nc2ccccc2n1C(C)C 328586794 YALGMULJQJDXPL-QGZVFWFLSA-N 344.459 2.837 30 50 EFEA N#C[C@@H](NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)C1CC1 154879599 ZPTFPQOEXKGCGF-GOSISDBHSA-N 333.391 2.502 30 50 EFEA CC(C)(C)NC(=O)COc1ccc(CN2CCC[C@@H](C#N)C2)cc1 216453798 HBGHPSRNQTWIQB-INIZCTEOSA-N 329.444 2.716 30 50 EFEA N#Cc1ccc(N2CCC[C@H]2Cn2cncn2)c(Br)c1 378307749 CFNBDEMXIGJBKM-LBPRGKRZSA-N 332.205 2.581 30 50 EFEA C=C(C)COc1cccc(NC(=O)NCCN2CCCCC2=O)c1 299784012 HIWGQMMMDCRFII-UHFFFAOYSA-N 331.416 2.776 30 50 EFEA CC1(C)[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C[C@@H]21 281862814 ZTRMTWOTIDZZQG-STQMWFEESA-N 344.358 2.854 30 50 EFEA C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)O 16552336 LHQVNSMALZDWSF-UHFFFAOYSA-N 333.413 2.837 30 50 EFEA N#Cc1ccc(OCc2nnc([C@H]3C[C@H](N)C3)n2C2CC2)cc1Cl 220469174 RKHBTNXHEFJESV-TXEJJXNPSA-N 343.818 2.922 30 50 EFEA Cc1nc([C@@H]2CCCN(C(=O)C/N=C(/O)CCC3CCCC3)C2)n[nH]1 329507389 ZYWOICRAJZDFOZ-OAHLLOKOSA-N 347.463 2.746 30 50 EFEA C[C@H]1CCc2c(sc(NC(=O)CSc3nncn3C)c2C#N)C1 77442 FKROQUIHOAMSMQ-VIFPVBQESA-N 347.469 2.604 30 50 EFEA C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCCC)cc1 4113532 BGUNCDJDWLHIPF-MRXNPFEDSA-N 330.384 2.833 30 50 EFEA CC/N=C1\S[C@@H](CC(=O)Nc2cccc(C)c2C)C(=O)N1CC 100964593 GMZRKRVUKOWNLJ-DNZUHHBVSA-N 333.457 2.972 30 50 EFEA C[C@H](c1ccccc1F)N1CCC[C@H](Nc2cncc(C#N)n2)C1=O 420636414 MIROYGAHCXUFIQ-WBMJQRKESA-N 339.374 2.651 30 50 EFEA CCn1nccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CC(C)(C)C2 20606638 IGLRLDBMQFBTDQ-KRWDZBQOSA-N 343.427 2.680 30 50 EFEA C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1C[C@@H]1OCC(=O)[C@@]12O 252496457 PIVUIBWKOVQVES-BSHMEKIXSA-N 344.451 2.827 30 50 EFEA C=CCN1C(=O)/C(=C\c2ccc(OCC#N)c(OC)c2)SC1=S 2052014 QIMUSMWRINAUJG-GXDHUFHOSA-N 346.433 2.985 30 50 EFEA CC#CC(=O)N1CCC(CCC(=O)NCc2cccc(Cl)c2)CC1 14961970 GRZULXRKQBLTIT-UHFFFAOYSA-N 346.858 2.998 30 50 EFEA N#CC1(C#N)[C@@H]2CCCC[C@@]23OC(=N)[C@@]1(C#N)[C@@H](c1cccnc1)O3 169685624 UTGGKOZCMLMNPO-MJSCVDMRSA-N 333.351 2.590 30 50 EFEA COc1ccc(-c2nc(C#N)c(N(C)CCc3noc(C)n3)o2)cc1 1857800596 IVJXYKLDOZCTLZ-UHFFFAOYSA-N 339.355 2.592 30 50 EFEA C=CCOc1c(Cl)cc(CN2CCC[C@@H]2C(N)=O)cc1OCC 55108954 WQAICZLUWHGYIR-CQSZACIVSA-N 338.835 2.753 30 50 EFEA C[C@H](/N=C(/O)C1CCCC1)C(=O)N1CC=C(c2ccnn2C)CC1 329278214 JQECGDHCKPQNBN-ZDUSSCGKSA-N 330.432 2.571 30 50 EFEA CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)Cc1ccc(F)cc1Cl 253397716 PVLHROLLGWZTLU-NSHDSACASA-N 347.843 2.637 30 50 EFEA C=CC[C@]1(C(=O)O)CCCN(c2ccc(C(=O)N3CCCC3)cn2)C1 91657107 ANHNDWVJWHHBRY-IBGZPJMESA-N 343.427 2.565 30 50 EFEA CN(Cc1cnc2ccccc2n1)C(=O)c1ccc(C#CC(C)(C)O)o1 952974192 QOUYBNIJVUVEFU-UHFFFAOYSA-N 349.390 2.617 30 50 EFEA N#Cc1nccnc1N1CCC(n2cc(-c3ccsc3)nn2)CC1 19147168 HAUXVSADJVOOSK-UHFFFAOYSA-N 337.412 2.510 30 50 EFEA C[C@@H](CC#N)NC(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 368691170 AKPPZFBOPSBOKB-HZMBPMFUSA-N 349.353 2.594 30 50 EFEA C#CCN1CCCC[C@@H]1C(=O)N1CCS[C@@H](c2ccccc2)C1 229707096 WXDVASVSLJUXQA-QZTJIDSGSA-N 328.481 2.791 30 50 EFEA CC(=O)/C(=C/Nc1nc(C)cc(C)n1)S(=O)(=O)c1ccc(C)cc1 5752710 YBNKQHIBEASVHJ-YBEGLDIGSA-N 345.424 2.718 30 50 EFEA C#CC(C)(C)NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 491503797 FMUZCBKISOXKAO-UHFFFAOYSA-N 337.210 2.775 30 50 EFEA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(Cc2ccc(F)c(C#N)c2)C1 284959774 WIWCPHMJOACOKC-ZBFHGGJFSA-N 341.390 2.655 30 50 EFEA C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 275884521 HDLPVYGNPWCBOU-QGZVFWFLSA-N 330.476 2.850 30 50 EFEA COCCC1(C(=O)N2CCC(Nc3ccc(C#N)cn3)CC2)CCC1 170597682 IBYLCWVTHXZYDG-UHFFFAOYSA-N 342.443 2.563 30 50 EFEA N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 194630136 NGLSWHZTHDEZQY-UHFFFAOYSA-N 349.343 2.843 30 50 EFEA CCCSc1ncc(OCC#CI)cn1 5591340 KKMVTZXGEAPXID-UHFFFAOYSA-N 334.182 2.753 30 50 EFEA Cc1c(CCO)sc[n+]1CC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1958154 PXEDQFWOBVMMCP-NUEKZKHPSA-N 340.509 2.883 30 50 EFEA CCN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccncc1 288291803 GTULBXSOQPZIJE-OAHLLOKOSA-N 338.386 2.972 30 50 EFEA CCCCCCCC[C@@H](C)C(=O)N=c1nc[nH]n1-c1ncccn1 1875303078 UDLQDONCDPMVKD-CQSZACIVSA-N 330.436 2.804 30 50 EFEA COCc1nc(C)c(C(=O)O[C@@H](C)CC#Cc2cccnc2)s1 888099555 QIANGZDMANMCOM-LBPRGKRZSA-N 330.409 2.980 30 50 EFEA N#Cc1cc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c[nH]1 170069712 SFTRXDBSFNRSTI-UHFFFAOYSA-N 343.408 2.855 30 50 EFEA Cc1oc(C#N)cc1C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 281013179 HNSAJPXYEQKLTJ-BZNIZROVSA-N 332.306 2.686 30 50 EFEA CC1(C)OB(c2ccc(/C=N/CCCn3ccnc3)cc2)OC1(C)C 169810251 JLISNACBKHYCAI-KGENOOAVSA-N 339.248 2.692 30 50 EFEA N#Cc1ccc(CCC(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cc1 348254823 GDXNLZVZCBTALP-RTBURBONSA-N 338.382 2.964 30 50 EFEA COCc1nc2ccc(N/C=C3/C(=O)Oc4ccccc4C3=O)cc2[nH]1 824475016 BYNDJDVWKRGRNZ-UKTHLTGXSA-N 349.346 2.807 30 50 EFEA O=C1Oc2ccccc2C(=O)/C1=C\Nc1ccc2occc(=O)c2c1 828327478 VKTVQUOZZKFBHQ-GXDHUFHOSA-N 333.299 2.891 30 50 EFEA biogenic N#C[C@H]1CSCCN1C(=O)Cc1cccc(OC(F)(F)F)c1 271741961 PYKHFOOZMHRROK-NSHDSACASA-N 330.331 2.595 30 50 EFEA CC#CC(=O)N(CC(F)(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1875376921 NGGGQAYWXMXJCM-GFCCVEGCSA-N 348.365 2.800 30 50 EFEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCCC(C)C)C2 14543675 NIEFFTHNBLMUGY-INIZCTEOSA-N 344.503 2.798 30 50 EFEA COc1ccccc1-c1cc[n+](CC(=O)c2ccc(C#N)cc2)cn1 5671298 WVOJPTDXZHXJHH-UHFFFAOYSA-N 330.367 2.799 30 50 EFEA N/C(Cc1ccc(Cl)cc1)=N\OC(=O)c1ccccc1[N+](=O)[O-] 4671598 GELCDLJKCQPIJE-UHFFFAOYSA-N 333.731 2.920 30 50 EFEA CC(C)Cc1ccccc1CSc1nc(=O)n2ncc(C#N)c2[nH]1 2325863691 UCZKELMPAVFAJO-UHFFFAOYSA-N 339.424 2.780 30 50 EFEA CCCC(=O)C1=C(Nc2ccncc2)CC(C)(C)[C@@H](C(=O)OC)C1=O 234605 FOZBUBKTCOZNFF-MRXNPFEDSA-N 344.411 2.905 30 50 EFEA C=CCN1C[C@H](C(=O)Nc2ccc(NC(=O)CC)c(Cl)c2)CC1=O 55414355 LRUCIQIWTXPODV-LLVKDONJSA-N 349.818 2.662 30 50 EFEA Cc1ccsc1/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1ccnn1C 328640209 PWAQAADNOZGZMG-JSGCOSHPSA-N 336.436 2.707 30 50 EFEA C[C@H](C(=O)Nc1nccs1)N(CC#Cc1ccccc1)C1CC1 65383623 XIKNUNAJAOGZRW-CQSZACIVSA-N 325.437 2.986 30 50 EFEA CC1(C)OB(c2ccc(OCCCN3CCCC3)cc2)OC1(C)C 384464234 RRGLNQKZTYQWOV-UHFFFAOYSA-N 331.265 2.851 30 50 EFEA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1c[nH]c2ccccc12 245226761 KHLAISZHHLNBQU-MUHAEZCISA-N 331.375 2.555 30 50 EFEA Cc1ccc([C@H]2C[C@@H](C)N(S(=O)(=O)c3cccnc3C#N)C2)cc1 278400078 NQJWRDPOVNDNCN-ZBFHGGJFSA-N 341.436 2.828 30 50 EFEA N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1cccc([C@@H]2CCOC2)c1 408513710 NCGPYJPEVPSOCM-RTBURBONSA-N 348.402 2.829 30 50 EFEA CCS[C@H](C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(C)C 192830205 BNEXOTPVRWMVOG-HNNXBMFYSA-N 343.456 2.914 30 50 EFEA CC1=CC2(CCN(C(=O)c3ccc(C#CC(C)(C)O)o3)CC2)OCC1 1704305389 VITWKYCRTTWINL-UHFFFAOYSA-N 343.423 2.743 30 50 EFEA N#Cc1cccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 616024 RBALVCKXASVZMB-UHFFFAOYSA-N 333.347 2.573 30 50 EFEA Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CCCC#N)c3ccccc32)o1 2840420 MHAOOOOCNLJTND-LJQANCHMSA-N 338.363 2.699 30 50 EFEA N#CCCCN1C(=O)[C@@](O)(CC(=O)c2ccccc2)c2ccccc21 4166007 UTQUPUOOAPHMDU-HXUWFJFHSA-N 334.375 2.798 30 50 EFEA Cc1nnc(/N=C(\O)[C@@H](C)N2CCN(c3ccccc3F)CC2)s1 20018401 DIALPVJBABJJEQ-LLVKDONJSA-N 349.435 2.784 30 50 EFEA COc1cccc([C@@H]2O[C@@]3(C)OC(=N)[C@@](C#N)([C@@H]3C)C2(C#N)C#N)c1 217608420 LDVUBUDWDJEHNC-HHBBGTKASA-N 336.351 2.670 30 50 EFEA CC(C)(O)C#Cc1ccc(CN2CCC[C@H](Cn3ccnc3)C2)cc1 820608318 RAFKAFQWPPAOJS-FQEVSTJZSA-N 337.467 2.918 30 50 EFEA N#Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C2CC2)cc1 185473655 RFCYLUXMOWQGQT-UHFFFAOYSA-N 337.335 2.977 30 50 EFEA C=CCC(F)(F)C(=O)NCc1nnc(C2CC2)n1-c1ccccc1 1775993914 OEZMCTDYFNMGPB-UHFFFAOYSA-N 332.354 2.972 30 50 EFEA CC(=O)C1=C(C)NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)C1 1857526075 IUSXQEBPKPCUAJ-GFCCVEGCSA-N 334.803 2.976 30 50 EFEA N#C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CCO1 365507770 JQRIPABWXRZFNS-CQSZACIVSA-N 336.317 2.820 30 50 EFEA O=C(NCc1ccc(C#CC2CC2)cc1)Nc1cnn2cccnc12 2325818769 XSZLVJWDEHWGEW-UHFFFAOYSA-N 331.379 2.813 30 50 EFEA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C#N)c(Cl)c2)cc1 288026 BWHKXVBTBXDFNY-UHFFFAOYSA-N 349.799 2.971 30 50 EFEA N#Cc1c(NC(=O)C(=O)NCc2ccccc2)sc2c1CCCC2 4866555 YDDIKLJPQWWKBA-UHFFFAOYSA-N 339.420 2.753 30 50 EFEA Cc1nsc(NCc2ccccc2CN2CCC[C@@H]2CO)c1C#N 283784072 QVINTQNPZPTWJQ-MRXNPFEDSA-N 342.468 2.892 30 50 EFEA C=CCN(C(=O)C[C@H]1C=CS(=O)(=O)C1)[C@H]1CCc2ccccc21 1875254591 DAZVDHJFUYHCEC-PBHICJAKSA-N 331.437 2.637 30 50 EFEA CC1CCC2(CC1)OC[C@@H](CNc1nccc(C#N)c1[N+](=O)[O-])O2 272050889 XMJSGSVELSDUJQ-RYCVTPFZSA-N 332.360 2.595 30 50 EFEA CN1CCC(CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 225505422 JDLSTLYNWPUHFR-UHFFFAOYSA-N 325.372 2.768 30 50 EFEA CC1=C(Br)CN(CC(=O)Nc2sccc2C#N)CC1 281328391 YLPIGWDMVGDBKD-UHFFFAOYSA-N 340.246 2.933 30 50 EFEA Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(CC(C)(C)C)nn1C 114850144 FRCLGMVUVSRLAA-UHFFFAOYSA-N 346.456 2.990 30 50 EFEA N#Cc1ccc(N2CCC[C@@](CO)(Cc3ccccc3F)C2)nc1 67908012 QAGLPSMJQHPBDN-LJQANCHMSA-N 325.387 2.914 30 50 EFEA C=CCCc1ccccc1N=C(O)N1CC[C@@H]2OCC(O)=N[C@@H]2C1 328589414 VVTCCPJARWYINU-CVEARBPZSA-N 329.400 2.780 30 50 EFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)cc1 3191390 KJGIPYPNUBCCTL-HNNXBMFYSA-N 343.379 2.550 30 50 EFEA CS(=O)(=O)c1ccc(-n2nc(C(F)F)c(C#N)c2Cl)cc1 44126800 WRRFEUIXHYRXPC-UHFFFAOYSA-N 331.731 2.738 30 50 EFEA N#Cc1cccnc1N1CCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 91706969 HOZMEIIAGHRUSM-KRWDZBQOSA-N 346.434 2.722 30 50 EFEA N#C[C@@]12CCCCC[C@H]1CN(C(=O)c1ccc3c(O)ncnc3c1)C2 1875297276 JBRFAEBHLKLJCC-IFXJQAMLSA-N 336.395 2.881 30 50 EFEA N#C[C@]12CCCCC[C@@H]1CN(C(=O)c1ccc3c(O)ncnc3c1)C2 1875297277 JBRFAEBHLKLJCC-KUHUBIRLSA-N 336.395 2.881 30 50 EFEA Cc1ccc([C@@H]2C[C@H]2C(=O)NC2(C#N)CCC3(CC2)OCCO3)s1 169979431 ILJDPTPQNSXLGS-ZIAGYGMSSA-N 346.452 2.856 30 50 EFEA Cc1nc(CCCNC(=O)c2ccc(C#CC(C)(C)O)o2)sc1C 1506421905 KOJSNFUWWNQMHJ-UHFFFAOYSA-N 346.452 2.838 30 50 EFEA C=CCN(Cc1cccnc1)c1ncnc2sc3c(c12)CCNC3 65398282 LOOJEXZIAPBHEE-UHFFFAOYSA-N 337.452 2.925 30 50 EFEA CC(=O)N1CCC[C@H](C/N=C(/O)N(C)[C@H](C)c2ccc(F)cc2)C1 331060663 NURFWMQDJZYHHE-UKRRQHHQSA-N 335.423 2.991 30 50 EFEA Cn1nc(C(F)(F)F)c(C#N)c1S(=O)(=O)c1ccc(Cl)cc1 1388016 BPQPXFWMWOJZOG-UHFFFAOYSA-N 349.721 2.797 30 50 EFEA N#Cc1c(N)nc2c(c1-c1ccc(-c3ccccn3)cc1)CNCC2 72145801 HQILAILCFIUQCM-UHFFFAOYSA-N 327.391 2.910 30 50 EFEA N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3ccncc3)CC2)cc1 952992588 PJGGKGPRKHXWDA-MRXNPFEDSA-N 341.436 2.912 30 50 EFEA N#Cc1ccc(N2CCC(Nc3cc(C#N)c(Cl)cn3)CC2)nc1 1875279645 KXZDOCMUWHWCNI-UHFFFAOYSA-N 338.802 2.954 30 50 EFEA CC#CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 1875366134 REBVZYZGIYAAEJ-OAHLLOKOSA-N 328.412 2.660 30 50 EFEA CC[C@@H]1CCCC[C@@H]1NC(=O)NS(=O)(=O)c1ccccc1C#N 1875328502 VRACUGGZYXMCQU-OCCSQVGLSA-N 335.429 2.515 30 50 EFEA C#CCCC1(CCNC(=O)c2cccn3c(CC(C)C)nnc23)N=N1 1875380950 FSCULFOSMDGCGH-UHFFFAOYSA-N 338.415 2.623 30 50 EFEA CN(C)Cc1cccc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2C)c1 75995939 MZSFKTMGINFNAW-QAPCUYQASA-N 347.466 2.955 30 50 EFEA CC(=O)Nc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(C)cc2)cc1 452250 BJBRNQULBOIVCH-CPNJWEJPSA-N 345.424 2.656 30 50 EFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)cc1 19314893 WWAPEASXPFKEOB-KRWDZBQOSA-N 327.380 2.923 30 50 EFEA Cc1cc(C)cc(OCC/N=C(/O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c1 328586912 HPTTXFVLNHQCKI-APWZRJJASA-N 348.443 2.524 30 50 EFEA N#Cc1c[nH]c2ccc(C(=O)NC[C@H]3NCCc4ccccc43)cc12 2325857193 SJLAIHLIDWXEIC-LJQANCHMSA-N 330.391 2.656 30 50 EFEA N#Cc1ccc(C(=O)NC[C@H]2CCN(Cc3cccc(O)c3)C2)cc1 67833685 BSUFUMMDKPAHGQ-QGZVFWFLSA-N 335.407 2.516 30 50 EFEA Cn1cc([C@H](/N=C(/O)CCc2ccccn2)C2(CO)CCC2)cn1 328592116 AKKVHNKRFPUTOP-KRWDZBQOSA-N 328.416 2.608 30 50 EFEA Cc1ccc2c(CC/N=C(/O)[C@H]3CCc4nn[nH]c4C3)cn(C)c2c1 329054631 SENYAZUQNYRWGN-ZDUSSCGKSA-N 337.427 2.909 30 50 EFEA N#CC1(C#N)[C@H](c2ccncc2)O[C@@]23CCCCC[C@@H]2[C@@]1(C#N)C(=N)O3 226829282 LTEPMQYWZQIEHW-LVFSCSRESA-N 347.378 2.981 30 50 EFEA N#Cc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cn1 91325730 BPSRMXJYMAPFQY-UHFFFAOYSA-N 340.814 2.565 30 50 EFEA CN(Cc1cc(C2CC2)on1)C(=O)c1cccc(C#CC(C)(C)O)c1 299755940 AOYFDGPPRZDOOZ-UHFFFAOYSA-N 338.407 2.947 30 50 EFEA N#Cc1cc(O)cc(C(=O)N2CCOC[C@H]2c2cc(F)cc(F)c2)c1 1875339086 VTNCYKOKDWPQOS-KRWDZBQOSA-N 344.317 2.756 30 50 EFEA O=C(/C=C/c1ccnn1CC1CC1)c1ccc(N2C(=O)CCC2=O)cc1 888099194 CJAAJEXLIYETBY-BQYQJAHWSA-N 349.390 2.843 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)N=N1 2325892506 PKHIWURLOHQHGR-DZFIZOCASA-N 336.439 2.589 30 50 EFEA CCN1CCN(c2oc(/C=C/c3ccccc3OC)nc2C#N)CC1 4868331 JWWUYSYXYJCEQH-CMDGGOBGSA-N 338.411 2.867 30 50 EFEA CCOC(=O)[C@H](c1nc(Br)sc1C)N(C)CCC#N 857706316 MBGFNXLFLPLPRG-JTQLQIEISA-N 346.250 2.664 30 50 EFEA CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C/c2ccc(O)c(O)c2)cc1 17072380 OKYRSOYNWNXWLL-MBNTZHJCSA-N 348.424 2.924 30 50 EFEA C=CCn1c(SCc2ncccc2OC)nnc1C1CCNCC1 426548555 RURYLTUPJCLPME-UHFFFAOYSA-N 345.472 2.627 30 50 EFEA CN1CCCC[C@H]1CNC(=O)N1CCC(C#N)(c2ccccc2)CC1 426727526 RCSPGPUTYDFGTC-SFHVURJKSA-N 340.471 2.738 30 50 EFEA C=CCN1CC2(CCC1=O)CCN(Cc1ccc(OC)c(O)c1)CC2 91575509 NQLJSDFLJZBLMW-UHFFFAOYSA-N 344.455 2.791 30 50 EFEA C#CCNCC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 1343247503 GEBQPYHWJRTLHL-AWEZNQCLSA-N 343.427 2.666 30 50 EFEA N#Cc1ccc(OC2CCN(C(=O)C3(O)CCCCC3)CC2)cc1 86583524 WIQPCCALORKBJK-UHFFFAOYSA-N 328.412 2.623 30 50 EFEA C=C[C@@](C)(CC)C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 412770146 GORHYAABYRMSQI-IBGZPJMESA-N 330.472 2.732 30 50 EFEA COc1ccccc1N1CCN(/N=C/c2ccccc2C(=O)O)CC1 232169 MYEPOEGBNGCBAR-XSFVSMFZSA-N 339.395 2.550 30 50 EFEA N#CCCN(Cc1cccnc1)C(=O)c1ncc(C#N)cc1Cl 225491023 XWTKTUQKCXXFQL-UHFFFAOYSA-N 325.759 2.558 30 50 EFEA Cc1c(C(=O)N(C)C)sc(NC(=O)C#Cc2ccccc2)c1C#N 6727094 XPSCTKTURMMRPJ-UHFFFAOYSA-N 337.404 2.620 30 50 EFEA C[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 347992333 OYMXCQAJUPPSEM-CJNGLKHVSA-N 343.390 2.994 30 50 EFEA COC(=O)c1n[nH]cc1-c1c(C)c(-c2ccc(C)cc2)nc(N)c1C#N 67955240 CSAFHLJJNFMTFW-UHFFFAOYSA-N 347.378 2.996 30 50 EFEA Cc1nc(C)c(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)o1 174486196 CAUICNBZPPTSHY-UHFFFAOYSA-N 338.411 2.511 30 50 EFEA O=C(C/N=C(/O)c1cccc(Cl)c1)N1CC[C@H](N2CCCCC2)C1 329145873 AJKRSGOIDSELGP-INIZCTEOSA-N 349.862 2.731 30 50 EFEA N#Cc1cc2c(nc1NCC(=O)N1CCc3ccccc31)CCCC2 301891179 ODHGJPKGPORLNE-UHFFFAOYSA-N 332.407 2.833 30 50 EFEA Cc1nnc([C@@H](C)N2CCN(c3ccc(C#N)cc3Cl)CC2)o1 277755419 LVSGBRXNOWTQHH-LLVKDONJSA-N 331.807 2.786 30 50 EFEA CN1CC[C@H](CN=c2cc(C#N)nc[nH]2)[C@H]1c1ccc(Cl)c(F)c1 408514530 LXHRSJNYKADWIG-SJKOYZFVSA-N 345.809 2.668 30 50 EFEA COCc1cc(C)nc(SCC(=O)NC2CCCCC2)c1C#N 337862 VVMKTMROHMSTJR-UHFFFAOYSA-N 333.457 2.949 30 50 EFEA C#CCOc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 6715964 UETXJTHPQJJCIF-UHFFFAOYSA-N 338.382 2.800 30 50 EFEA C=C(C)CN(CC)Cc1cnc(S(=O)(=O)CC)n1CCCC 55167090 YONUGTPYLPAUCA-UHFFFAOYSA-N 327.494 2.875 30 50 EFEA N#Cc1ccnc(N2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c1 67818307 YYXOGUTXYKVMFO-IBGZPJMESA-N 325.387 2.914 30 50 EFEA N#Cc1ccc(N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)nc1 72172652 BKSUFDWQJWLGQH-FQEVSTJZSA-N 347.466 2.744 30 50 EFEA C#CCCC1(CCC(=O)N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)N=N1 952882105 RQDLIJODVNONFD-ULQDDVLXSA-N 328.460 2.675 30 50 EFEA C=CCN1C[C@@H](N[C@H](C)c2ccc(OC)c(OC)c2C)CCC1=O 1875279625 ZPHWIKNMVXZPSA-CABCVRRESA-N 332.444 2.840 30 50 EFEA N#Cc1ccnc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 1413050744 SWYOCKNVIQOOSB-HOTGVXAUSA-N 335.329 2.577 30 50 EFEA CC(C)NS(=O)(=O)c1cc(C#N)ccc1N1C[C@H]2CCCC[C@@H]2C1 170602012 RGAHEMJHNZDPHD-HZPDHXFCSA-N 347.484 2.871 30 50 EFEA C=CCC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12753825 WFZQTZCIOGEDKC-LJQANCHMSA-N 348.393 2.882 30 50 EFEA Cc1ccc(CN2CCN(/N=C\c3ccc(O)cc3O)CC2)cc1 19773020 WVKMBJILQDSTRG-MOSHPQCFSA-N 325.412 2.558 30 50 EFEA OCC#Cc1csc(CN(Cc2ccccn2)C[C@H]2CCCO2)c1 55119615 TYRKWRJEKFVJOQ-GOSISDBHSA-N 342.464 2.668 30 50 EFEA CC1(C)OB(c2cc(OC[C@@H]3CCCO3)c(C#N)cc2F)OC1(C)C 170008713 VIIXWSNVMOJCDK-ZDUSSCGKSA-N 347.195 2.554 30 50 EFEA COc1cccc([C@@H]2C[C@H]2C(=O)NCCOc2ccc(C#N)cc2)c1 173887823 MBIZYLSAXIIVSH-RBUKOAKNSA-N 336.391 2.866 30 50 EFEA CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@H](COc2ccccc2)O1 284888083 GXRHJGOTLBJTQE-QGZVFWFLSA-N 339.395 2.585 30 50 EFEA Cc1cc(CN=C2N[C@H](C)[C@H]([C@@H](O)c3ccccc3)N2)cc(C)c1O 1875349384 VLUZVXFMGJBPKJ-BJZITVGISA-N 339.439 2.549 30 50 EFEA CN(C)Cc1cc(O[C@@H]2CCN(Cc3cc(C#N)cs3)C2)ccn1 886071832 AYACSSIGSJIUQZ-QGZVFWFLSA-N 342.468 2.730 30 50 EFEA N#Cc1ccccc1CN1C[C@@H]2CC[C@H]1CN(C1CCOCC1)C2 1565517034 RSZKJUAPPHGWNV-JXFKEZNVSA-N 325.456 2.633 30 50 EFEA N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)c2ccc(Cl)o2)cc1 1565509227 KSNZSPZZOXXEFV-KBPBESRZSA-N 346.770 2.771 30 50 EFEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cn(CC)nc1C(F)(F)F 281360929 KQTAVGIUWFEJHA-ZYHUDNBSSA-N 331.338 2.633 30 50 EFEA COc1ccc(NC(=S)N/N=C/c2cccc(OC)c2O)cc1 2506372 HSIGVPXAKBISAM-LICLKQGHSA-N 331.397 2.730 30 50 EFEA C=CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(C)=O)cc1OCC 5027722 KSCWSBDQBJXPGY-QGZVFWFLSA-N 330.384 2.867 30 50 EFEA O=[N+]([O-])c1ccc(N/N=C2\CCC[C@]23CCC[C@H]3O)c([N+](=O)[O-])c1 4795107 YTDWEZJVHPXQQK-SBMGLGDMSA-N 334.332 2.986 30 50 EFEA N/C(=N/c1ccccc1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O 100313867 QQHWMGNTOIDKGE-CQSZACIVSA-N 325.393 2.698 30 50 EFEA Cc1ccc(-n2cccn2)cc1N/C(O)=N/[C@@H]1CCc2c[nH]nc2C1 328594683 MYPICWDFCIANBB-CQSZACIVSA-N 336.399 2.787 30 50 EFEA COc1ccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)cc1OC 1429505 FFNBWZDFEKIMKM-ZDUSSCGKSA-N 344.411 2.503 30 50 EFEA N#CC1(/N=C(/O)[C@@H]2C[C@]23CCOC3)CCN(Cc2ccccc2)CC1 329650553 JZGNUKISMQHNNO-HKUYNNGSSA-N 339.439 2.928 30 50 EFEA Cc1ccc(C#N)c(N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)n1 71524321 WHQMPPXZWUQQAL-KRWDZBQOSA-N 326.444 2.735 30 50 EFEA COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2c(C#N)cnn12 20605734 APFWDVWCZICKNV-UHFFFAOYSA-N 344.277 2.656 30 50 EFEA CC(C)(C)c1nnc(NS(=O)(=O)c2cccc(Cl)c2C#N)o1 194793961 XPLXXTFQZAAYIB-UHFFFAOYSA-N 340.792 2.693 30 50 EFEA CC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(O)c(O)c1 13496826 WVYIAAZJUCFFLU-KRWDZBQOSA-N 340.404 2.617 30 50 EFEA C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1CCC1=CCOC1=O 238740028 GVRNTWSGBWPJGS-GCLMUHHRSA-N 334.456 2.992 30 50 EFEA biogenic C[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H](C)O1 19791881 OWACVIQXMJMVLT-VXGBXAGGSA-N 333.457 2.546 30 50 EFEA Cn1cc(C#N)cc1C(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1 368543684 PSWJVAHJJXEWSD-CYBMUJFWSA-N 325.372 2.525 30 50 EFEA C=CCN(c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1)S(C)(=O)=O 101470049 JKKJOITZJVEORZ-JLJPHGGASA-N 348.468 2.557 30 50 EFEA CC(=O)c1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)cs1 20821452 LJTTZIVMCDVHPV-UHFFFAOYSA-N 339.420 2.785 30 50 EFEA Cc1ccc(CN2CCN(C(=O)c3ccccc3C#N)[C@H](C)C2=O)cc1 55042381 RLXUVCJIQJEAML-MRXNPFEDSA-N 347.418 2.740 30 50 EFEA CCc1ccsc1/C(O)=N/C1CC(N(CC(=O)O)CC2CC2)C1 328622540 BHICSRWGQYSQTF-UHFFFAOYSA-N 336.457 2.943 30 50 EFEA Cc1[nH]nc(C(C)C)c1/C(O)=N/Cc1cccc(N2CCOCC2)n1 330155275 NZORZAPJNBLALD-UHFFFAOYSA-N 343.431 2.578 30 50 EFEA C[C@H]1CN(C(=O)COc2ccccc2C#N)c2ccccc2NC1=O 150757286 LZDUDMGCMWHZCI-ZDUSSCGKSA-N 335.363 2.558 30 50 EFEA C#CC[C@]1(O)C[C@@H](C(=O)Nc2cccc(SC(=O)N(C)C)c2)C1 1776005115 AGZZHUULMTWZRH-LAUQKZGBSA-N 332.425 2.563 30 50 EFEA CC(C)Oc1cccc(C(=O)[C@H](C#N)C(=O)NC2CCCCC2)n1 167799041 ZYJAWQWGOWJFOR-AWEZNQCLSA-N 329.400 2.640 30 50 EFEA CC1(C)OB(c2c(C(F)(F)F)n[nH]c2C(F)(F)F)OC1(C)C 169902927 CLZOYAKINXVSHM-UHFFFAOYSA-N 330.037 2.747 30 50 EFEA in-vitro O/C(CN1CCC[C@H]1c1nc2c([nH]1)CCCC2)=N/Cc1cccnc1 328654201 XHTVMZAQQUWXCD-KRWDZBQOSA-N 339.443 2.977 30 50 EFEA N#CC1CCN(C(=O)c2cc(Br)cc(C(=O)O)c2)CC1 2325796168 XDAOZTATEVAQGL-UHFFFAOYSA-N 337.173 2.523 30 50 EFEA C=C(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2)c(O)c1 2165048 PIPFIPANBSUPIP-UHFFFAOYSA-N 332.381 2.708 30 50 EFEA Cc1nc(CN(C)[C@H]2CCCN(c3cccc(F)c3C#N)CC2)no1 328656948 ZVMHEKBQMONMBY-AWEZNQCLSA-N 343.406 2.880 30 50 EFEA N#Cc1c(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)cn2ccccc12 364433913 JVEWTXQHPGKLMD-OAQYLSRUSA-N 342.402 2.907 30 50 EFEA Cn1cc(CNC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1C#N 365085376 LFDLFWDJOKUUNI-CYBMUJFWSA-N 330.382 2.791 30 50 EFEA N#Cc1ccc(N[C@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)nc1 72167120 VVQIXXQNGPZPBA-INIZCTEOSA-N 340.814 2.862 30 50 EFEA COc1cc(CN[C@@H]2CCN(C(=O)Cc3ccccc3)C2)ccc1C#N 376718069 VQJJSCNUKKGJFY-LJQANCHMSA-N 349.434 2.500 30 50 EFEA Cc1csc([C@H]2CN(c3nc4ccccn4c3C#N)CCO2)n1 240912253 IWWNBQUNNMXCLC-CYBMUJFWSA-N 325.397 2.549 30 50 EFEA Cn1nc(C2CCCC2)cc1NC(=O)Nc1ccn(CCC#N)n1 195577429 NUNDWXZJHYTCNG-UHFFFAOYSA-N 327.392 2.832 30 50 EFEA CCOc1ccc(/C=N/n2c(S)nnc2-c2ccccn2)cc1 5906394 AENKDMLHIHXZCD-WOJGMQOQSA-N 325.397 2.910 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H](C)Cc2cc(OC)ccc2O)N=N1 2325892819 HNMIWRFDSRMOCI-ZDUSSCGKSA-N 329.400 2.804 30 50 EFEA Cc1nc(CN(C)[C@@H]2CCCN(C(O)=Nc3ccsc3)CC2)no1 328625169 CVZDAVIFOLILLW-CQSZACIVSA-N 349.460 2.972 30 50 EFEA C=CCOc1cccc(NC(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OC)c1 252676544 XKDDIFSHBOCOMS-WRFANHODSA-N 344.411 2.961 30 50 EFEA Cc1nsc(NC(=O)NC[C@]2(C)OCCc3sccc32)c1C#N 297289820 ALTAPCDRCVYAPK-HNNXBMFYSA-N 348.453 2.994 30 50 EFEA CN(C/C=C/C(=O)NC(C)(C)C#Cc1ccccc1)CC(F)(F)F 1875338252 QTZHYKUZKGCMGK-JXMROGBWSA-N 338.373 2.983 30 50 EFEA N#Cc1cc(NC2CCN(Cc3ccccn3)CC2)ccc1[N+](=O)[O-] 165798087 GZAJIAWDQMNFLX-UHFFFAOYSA-N 337.383 2.938 30 50 EFEA N#Cc1ccc(CN2C(=O)C[C@@H](Cc3ccc(F)cc3)C2=O)cc1F 188017493 CGHCOSQULDSWOH-OAHLLOKOSA-N 340.329 2.954 30 50 EFEA COc1ccc(/C=C2/C(=O)c3ccc(C(=O)O)cc3C2=O)cc1OC 16156637 YGGQSFAKSUYDMP-AUWJEWJLSA-N 338.315 2.865 30 50 EFEA biogenic CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2ccc(C#N)cc2C)cn1 328617233 CMZYNFJKYPDINC-ZWKOTPCHSA-N 338.411 2.733 30 50 EFEA Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(C#N)c1C 230216859 RPNUNFBHNXESFV-NHYWBVRUSA-N 345.447 2.705 30 50 EFEA CCOc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 381171 SPLVTVLTCGCBDD-WBVHZDCISA-N 345.395 2.549 30 50 EFEA Cc1cccc(C(=O)Nc2c(C#N)cnn2-c2nc(C)cc(C)n2)c1 6746241 FTGDYTXHPXZGMM-UHFFFAOYSA-N 332.367 2.712 30 50 EFEA N#Cc1c(-c2cccn2-c2ncccn2)cc(-c2ccc[nH]2)nc1N 71757282 KHAPINOQHHIWRU-UHFFFAOYSA-N 327.351 2.778 30 50 EFEA C[C@@H](C#N)NC(=O)c1cc(Br)c(O)c(Br)c1 162428379 BPEKZLLTQVDBET-YFKPBYRVSA-N 347.994 2.559 30 50 EFEA N#Cc1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)c1 91327173 GAVQEKKNPMBTAX-FXAWDEMLSA-N 346.434 2.690 30 50 EFEA O=C(c1ccccc1NCC#Cc1ccccc1)N1CCC[C@@H](O)C1 190346786 UYGUULDFPCNBKM-GOSISDBHSA-N 334.419 2.747 30 50 EFEA Cc1ccc(S(=O)(=O)ON2CC2(C(F)(F)F)C(F)(F)F)cc1 2939813 LCGUTLSKADDWFF-UHFFFAOYSA-N 349.252 2.794 30 50 EFEA CC(C)(C#N)c1ccccc1CN1CCC[C@@H]1[C@H]1COCC[C@H]1O 331987277 UCBFEWHURHYMKH-BHIYHBOVSA-N 328.456 2.850 30 50 EFEA CCOC(=O)/C(=N/Nc1ccccc1)S(=O)(=O)c1ccc(C)cc1 283659 SIQRAJLTVGQMSB-MNDPQUGUSA-N 346.408 2.757 30 50 EFEA COc1cc(C#N)ccc1OC[C@H]1CCCN(Cc2ncc[nH]2)C1 1857711690 CIALOUOBOLWMRR-HNNXBMFYSA-N 326.400 2.581 30 50 EFEA CN1C[C@H](N/C(O)=N/Cc2cc(Cl)sc2Cl)CCC1=O 330652414 YQINPSVKNVSBCG-MRVPVSSYSA-N 336.244 2.679 30 50 EFEA C=C(C)COc1cccc(CNCCNC(=O)c2ccncc2)c1 55226890 XEQRZZWJRUJVQI-UHFFFAOYSA-N 325.412 2.556 30 50 EFEA CC(C)c1noc([C@@H](/N=C(/O)Cc2cnn(C)c2)C2CCOCC2)n1 330312981 WVILPXNAFIINHL-HNNXBMFYSA-N 347.419 2.593 30 50 EFEA C=CCS(=O)(=O)NCc1cccnc1Oc1ccc(F)cc1F 11938062 XEKATBJCZIPFHI-UHFFFAOYSA-N 340.351 2.758 30 50 EFEA C=CCNC(=O)[C@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 12597450 LACVCDQSBPYRJR-IBGZPJMESA-N 341.499 2.665 30 50 EFEA CCOc1ccc(N2CC(=O)C(c3nc4ccc(C)cc4[nH]3)=C2N)cc1 8844101 KZAYTVCBELJQNW-UHFFFAOYSA-N 348.406 2.987 30 50 EFEA N#Cc1cc(N2CCC[C@@H]2C(=O)NCc2ccco2)nc2ccccc12 134898936 MVICJHCKACTTPY-GOSISDBHSA-N 346.390 2.985 30 50 EFEA C#CCCC1(CCNC(=O)c2ccc(-c3ccncc3)nc2O)N=N1 2325890931 DPAGCUMKLIIOOK-UHFFFAOYSA-N 335.367 2.545 30 50 EFEA Cc1c2c(n3c(nc4ccccc43)c1C#N)N(CCCN(C)C)CC2 4170434 YADBDSGDOVCGPY-UHFFFAOYSA-N 333.439 2.982 30 50 EFEA C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 6269871 BBMYITWBNZBAHZ-UHFFFAOYSA-N 330.409 2.712 30 50 EFEA C=CCn1cc(CNC[C@H](c2cccnc2)N2CCCC2)c(C)n1 55283411 OEDGOSUDGOSTRB-LJQANCHMSA-N 325.460 2.699 30 50 EFEA Cc1oc(C#N)cc1C(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 348261680 PZWKQCIKFFBINM-ZBEGNZNMSA-N 332.306 2.686 30 50 EFEA Cc1nc(N2CCN(C3CCOCC3)CC2)c(C#N)c(C)c1Cl 65381265 ILJAEGHWOBMXMU-UHFFFAOYSA-N 334.851 2.525 30 50 EFEA Cc1nc(C)c(N/C(O)=N/[C@@H]2CCO[C@@H](c3cncn3C)C2)s1 328618532 DVCVTNDQNHMZGD-DGCLKSJQSA-N 335.433 2.740 30 50 EFEA N#Cc1ccccc1/C=C/C(=O)N1CC[C@](CO)(c2ccccc2)C1 367861172 YNIIZGVBCWYWTP-ZJVMWOEPSA-N 332.403 2.734 30 50 EFEA N#Cc1cc(C(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c[nH]1 277922553 PJWQEZIZUSXPKM-VIFPVBQESA-N 337.305 2.648 30 50 EFEA N#Cc1cccnc1N1CCN(c2nnc(-c3ccccc3)s2)CC1 170591665 DYXGAENYZGMWDS-UHFFFAOYSA-N 348.435 2.798 30 50 EFEA COc1ccc(-c2c(C=O)c3cc(C#N)c(C#N)cc3n2OC)cc1 653846491 BJSUTCOTEQZKNS-UHFFFAOYSA-N 331.331 2.931 30 50 EFEA COc1cc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O 4143820 XLTOSQBPCROTRY-LLVKDONJSA-N 345.395 2.656 30 50 EFEA C[C@@H]1C(c2cccs2)=[N+]([O-])[C@@](C)(C(=O)c2ccc(F)cc2)N1O 4314788 RDXSBVCCCKIEFV-HWPZZCPQSA-N 334.372 2.879 30 50 EFEA CCc1noc(C)c1N/C(O)=N/[C@@H]1CCCN(c2cc(C)nn2C)C1 328588424 PESSLGRCDFNTMY-CYBMUJFWSA-N 346.435 2.582 30 50 EFEA C=CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3C)cc1OC 72117582 DGIVJIQYZHUCDD-CYBMUJFWSA-N 327.384 2.776 30 50 EFEA C=CCN1CC2(CCC1=O)CCN(C(=O)NCc1cccs1)CC2 91973782 XPKMJKDFDIGHAI-UHFFFAOYSA-N 347.484 2.848 30 50 EFEA Cc1cnccc1N1CCN(Cc2ccc(C#CC(C)(C)O)cc2)CC1 825253379 MBKWCIHGELXMPO-UHFFFAOYSA-N 349.478 2.835 30 50 EFEA CN(Cc1nnc(-c2ccccc2)o1)Cc1cc(C#CCO)cs1 828644660 UFJAFFLYCPSTQT-UHFFFAOYSA-N 339.420 2.774 30 50 EFEA C#C[C@@H](NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)C(C)C 225589495 XPUXOQSEKNPTNR-GOSISDBHSA-N 341.455 2.770 30 50 EFEA N#C[C@@]1(C(=O)N2CC3(CCC3)[C@](F)(C(=O)O)C2)CC2CCC1CC2 923087567 ZSMLTWUVUUEJQR-DJQNDVTLSA-N 334.391 2.512 30 50 EFEA C=CC(C)(C)NC(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1 929358945 QVHDFRAKJFFOTK-TXEJJXNPSA-N 338.477 2.838 30 50 EFEA N#Cc1ccc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)c(F)c1 318931 KHPDBBJWJMYIFR-UHFFFAOYSA-N 345.324 2.938 30 50 EFEA Cc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1NS(C)(=O)=O 10314250 DXJVIVUJSLUCRK-UHFFFAOYSA-N 343.408 2.685 30 50 EFEA COC(=O)[C@H](c1ccccc1Cl)N1CC[C@@H]2SC(=O)C=C2C1 22065576 JBSAZVIMJUOBNB-ZFWWWQNUSA-N 337.828 2.828 30 50 EFEA endogenous,world O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1)[C@@H]1CO1 1875373075 SXYDGBDQJSISFU-KBPBESRZSA-N 329.318 2.688 30 50 EFEA CC(C)(C)n1ncnc1C/N=C(/O)N1CCO[C@H](C2CCCCC2)C1 328586553 FCHJSCLTTMESHU-HNNXBMFYSA-N 349.479 2.728 30 50 EFEA Cc1ncc(/C(O)=N/[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)[nH]1 328591111 LKMVTUNJBYAFBO-JKSUJKDBSA-N 348.834 2.748 30 50 EFEA Cc1occc1-c1cc(=N/C(O)=N/[C@@H]2CCO[C@@H](C3CC3)C2)[nH]o1 328587701 FLNOCNFUQIHUNK-TZMCWYRMSA-N 331.372 2.948 30 50 EFEA N#Cc1cc(F)cc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)c1 77298025 CLEWXRLBNDGBDO-UHFFFAOYSA-N 344.777 2.708 30 50 EFEA CC(C)c1noc(C2CCN(Cc3ccc(C#CCO)cc3)CC2)n1 952982060 WDKOADICGAYJTO-UHFFFAOYSA-N 339.439 2.916 30 50 EFEA C=CCNC(=O)CNC(=O)Nc1ccc(Br)c(Cl)c1 170592510 IORICWMNNZDFGS-UHFFFAOYSA-N 346.612 2.526 30 50 EFEA C#CCCC1(CCC(=O)N2CCN[C@H](c3ccccc3OC)C2)N=N1 2325892523 QHSIMVNMMWLNMO-INIZCTEOSA-N 340.427 2.524 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C[C@@]3(C)C(=O)O)N=N1 2325900896 MYVFHRHLYUXWQN-ZOMKSWQUSA-N 331.416 2.738 30 50 EFEA CSc1nc2n(n1)[C@H](c1ccc(O)cc1)C1=C(CCCC1=O)N2 6677821 NYIIYQOGHPLTPP-CQSZACIVSA-N 328.397 2.728 30 50 EFEA CCn1c([C@H](C)NCC(=O)NC2(C#N)CCCC2)nc2ccccc21 119289618 XLCFPTXOCAIGLC-AWEZNQCLSA-N 339.443 2.659 30 50 EFEA O=C1C2=C(NC(=S)N[C@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc21 100222886 YRBGHTMLXLCSEN-AWEZNQCLSA-N 337.360 2.721 30 50 EFEA C=C(C)COc1ccc(C(=O)N2CCC[C@@H](CCC(N)=O)C2)cc1 55152999 YYDYXUVYQBTFND-HNNXBMFYSA-N 330.428 2.759 30 50 EFEA CC1(OS(C)(=O)=O)CN(C(c2ccccc2)c2ccccc2)C1 20286751 HLYCKHOZSJZTKH-UHFFFAOYSA-N 331.437 2.827 30 50 EFEA N#C[C@@H]1CN(C(=O)c2cc(F)ccc2-c2ccoc2)CCN1C1CC1 369376194 SMMDZUVDYZSKCX-MRXNPFEDSA-N 339.370 2.898 30 50 EFEA C=CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1c(C)nn2C 72119392 VGYIYUGUNORJRV-CYBMUJFWSA-N 327.384 2.776 30 50 EFEA Cc1cc(C(=O)N2CC(=O)N(c3ccccc3C#N)C[C@H]2C)cs1 82160720 MFHYMDQAKXXEMU-GFCCVEGCSA-N 339.420 2.806 30 50 EFEA C[C@]1(O)CCCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 179492228 VHGTWBFWYGFPQO-INIZCTEOSA-N 340.345 2.613 30 50 EFEA C=CC[C@]1(C(=O)O)CCCN(CCC(=O)NCc2ccc(F)cc2)C1 91536845 AERZYUBOEBDUQS-IBGZPJMESA-N 348.418 2.575 30 50 EFEA COC[C@@H](C)n1c(C)cc(C(=O)Cn2ccc(C)c(C#N)c2=O)c1C 185032513 WATHKMSVKHMHQR-CQSZACIVSA-N 341.411 2.537 30 50 EFEA C#CCCC1(CCC(=O)NCc2cccnc2N2CCCC2)N=N1 952879884 CAESXEHOQVAXDH-UHFFFAOYSA-N 325.416 2.654 30 50 EFEA C#CCCC1(CCC(=O)N2CCOC[C@@H]2Cc2ccccc2)N=N1 952882289 TUCJPIZSEKHNRH-KRWDZBQOSA-N 325.412 2.812 30 50 EFEA N/C(=N\OC(=O)Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 5044333 FBWAHVHVUBYOLJ-UHFFFAOYSA-N 333.731 2.654 30 50 EFEA CCOC(=S)N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 12732567 PLNUMSZZEAPXPD-UHFFFAOYSA-N 348.449 2.733 30 50 EFEA CC(C)(C)c1ccc(OCC(=O)O/N=C(\N)c2cccnc2)cc1 18161849 HCSSUJQGVNEYJE-UHFFFAOYSA-N 327.384 2.622 30 50 EFEA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cccc(C#N)c3)C1)CC2 2356136077 GBAXQNXMLPTAKG-FQEVSTJZSA-N 332.407 2.777 30 50 EFEA CO[C@H](C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)c1cnn(C)c1 360699107 HGBQJGGUKDKPQK-SJORKVTESA-N 340.427 2.786 30 50 EFEA OCC1(NC(O)=Nc2ccc(N3CCCCC3)c3ncccc23)CC1 329911921 OBQYWKDSXFXUNO-UHFFFAOYSA-N 340.427 2.885 30 50 EFEA N#C[C@@H]1CN(C(=O)c2cccc(Oc3ccncc3)c2)CCN1C1CC1 363081628 RDECVBGXTPEONG-QGZVFWFLSA-N 348.406 2.686 30 50 EFEA Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc(C#N)c(C)n2)n1 369495972 HDRAEFFSKSENRL-MRXNPFEDSA-N 335.411 2.682 30 50 EFEA CC(C)(C)n1cc(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)cn1 245500409 ACFBFHOYPVALIQ-IBGZPJMESA-N 337.471 2.848 30 50 EFEA N#Cc1cc(CN2CCCN(C(=O)c3cc(F)cc(F)c3)CC2)c[nH]1 1772804227 JLVMAOQQSNGPAH-UHFFFAOYSA-N 344.365 2.513 30 50 EFEA Cc1cc(Br)c2c(c1)/C(=N/Nc1ccccn1)C(=O)N2 4458470 BSZWXPZMHSBACS-UHFFFAOYSA-N 331.173 2.921 30 50 EFEA N#Cc1ccc(N2CCN(C(=O)CCCc3ccccc3)CC2)cn1 253430866 MFSXMHALXFQCTQ-UHFFFAOYSA-N 334.423 2.625 30 50 EFEA COc1cccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)c1OC 4488862 ZOGBVAJWJPJSOE-GFCCVEGCSA-N 329.396 2.951 30 50 EFEA COCc1nccc([C@H]2CCCN(c3c(C#N)cccc3C#N)C2)n1 365050476 COGJNSAIVSREQE-INIZCTEOSA-N 333.395 2.750 30 50 EFEA C=CCNC(=O)c1ccc(OC)c(OC2CCN(C(C)C)CC2)c1 11878156 XIDHEYPICFFJEI-UHFFFAOYSA-N 332.444 2.863 30 50 EFEA C=CCNc1nc([C@@]2(C)C[C@@]3(CC(C)(C)OC3=O)C(=O)O2)cs1 2198926 WEJPJKNIRSDDBM-HZPDHXFCSA-N 336.413 2.615 30 50 EFEA CC(C)(C)n1c(=O)[nH]c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cc21 170005777 NALICXJHAURIML-UHFFFAOYSA-N 334.200 2.523 30 50 EFEA N#CCOc1cccc(CC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 253396759 QMSBNXLTKHTVJZ-GUDVDZBRSA-N 342.439 2.674 30 50 EFEA C=CCNC(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1 243230939 KMXIBDJJSYCBRO-UHFFFAOYSA-N 326.371 2.714 30 50 EFEA C=CCN1CC[C@H](CNC(=O)c2ccc(Cl)cc2NC(=O)CC)C1 952961041 BGKSWSXKEMSNKD-CYBMUJFWSA-N 349.862 2.926 30 50 EFEA OCC[C@@H]1CN(CC#Cc2ccccc2)CCN1Cc1ccccc1 19792644 LVWGNTUWXDDFBC-JOCHJYFZSA-N 334.463 2.607 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)c2cccc(Br)c2)cc1 4281349 KTNSMCCQFNYXPJ-UHFFFAOYSA-N 349.184 2.935 30 50 EFEA C=CCN(Cc1cccc(OCC)c1)C(=O)[C@H](C)N1CCCC1=O 55271404 PTDYCJWTUZZGFV-HNNXBMFYSA-N 330.428 2.611 30 50 EFEA C/N=C(/O)N1CCC[C@H]1c1ccccc1I 328587125 MJUOHPUTWSIGBC-NSHDSACASA-N 330.169 2.972 30 50 EFEA Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cn2ccccc2c1C#N 374467090 AFLJQGTXFGSNGV-LJQANCHMSA-N 349.438 2.735 30 50 EFEA COC[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CC(C)(C)O1 285148248 SYILMWTYSCIRHV-NSHDSACASA-N 329.322 2.602 30 50 EFEA COc1ccc(-c2nc(CCNC(=O)c3ccnc(C#N)c3)co2)cc1 1875365359 DWPCLLPERRMBJM-UHFFFAOYSA-N 348.362 2.589 30 50 EFEA CN1CCN(c2ccc(/C=N/Nc3ccccc3)cc2[N+](=O)[O-])CC1 4046445 GDSQRWYCHIOQTJ-XMHGGMMESA-N 339.399 2.793 30 50 EFEA CC(=O)O[C@@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O 16954710 WNFXUXZJJKTDOZ-HNNXBMFYSA-N 330.336 2.691 30 50 EFEA biogenic,in-vitro Cn1c(C2=C3N=C(O)c4ccccc4N3CC2=O)nc2ccccc21 101095110 MNFXATVMNOOQGQ-UHFFFAOYSA-N 330.347 2.649 30 50 EFEA C=CCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 9046124 RJDWFMYEECEVHY-UHFFFAOYSA-N 345.468 2.852 30 50 EFEA C=CCN(c1ccc(C(=O)N2CCC[C@@H](C)C2)cc1)S(C)(=O)=O 10541579 NLBGEUDBPPIFKZ-CQSZACIVSA-N 336.457 2.511 30 50 EFEA CS[C@H]1CN(CCCOc2ccc(C#N)cc2)C[C@H]1N1CCCC1 252511635 IXWCRHGWJUAEIF-MOPGFXCFSA-N 345.512 2.839 30 50 EFEA C=CCN(C)C[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O 67803446 JRWJDIPLLUKZPM-HXUWFJFHSA-N 330.472 2.781 30 50 EFEA CO[C@@H]1CCC[C@H](/C(O)=N/C[C@@H]2CCC3(CCOCC3)[C@@H]2O)C1 329152952 BLFMHDYEFADQEH-CAOSSQGBSA-N 325.449 2.716 30 50 EFEA C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@@]2(CCCOC2)O1 253432443 ZLOINURWIFLDAG-XHDPSFHLSA-N 341.333 2.746 30 50 EFEA CN(Cc1ccccc1)c1cnn(Cc2ccc(C#N)cc2)c(=O)c1 72163599 BWIXMWXVNUURFQ-UHFFFAOYSA-N 330.391 2.800 30 50 EFEA COc1nccc(CN2CCC(Oc3ccc(C#N)cc3F)CC2)n1 295574189 AYOFUTHNLZTCEL-UHFFFAOYSA-N 342.374 2.539 30 50 EFEA C#CCOc1cc(C(=O)N(CC)C[C@H]2CCCCO2)ccc1OC 952959969 VADUUEKVTSGSPL-MRXNPFEDSA-N 331.412 2.738 30 50 EFEA N#C[C@]1(C(=O)N2CC3(CCC3)[C@](F)(C(=O)O)C2)CC2CCC1CC2 923087568 ZSMLTWUVUUEJQR-SRZVHWMBSA-N 334.391 2.512 30 50 EFEA N#Cc1ccccc1CSCCNC(=O)N1CC[C@@]2(CCOC2)C1 176436713 DVSXOBKJRSMCRI-GOSISDBHSA-N 345.468 2.613 30 50 EFEA N#Cc1ccc(C(=O)N2CCC[C@H](c3nccn3CC3CCC3)C2)cn1 95392320 IZVCOWDFMHWIML-KRWDZBQOSA-N 349.438 2.970 30 50 EFEA COCc1nc([C@H]2CN(c3cccc(F)c3C#N)C[C@@H]2C2CC2)n[nH]1 952850704 OJVNDEZVPHRVSG-KGLIPLIRSA-N 341.390 2.592 30 50 EFEA C=CCCC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F 408520750 VJAWPYNDJAHEJS-NSHDSACASA-N 344.224 2.822 30 50 EFEA Cc1ccc(C)c(/C(O)=N/[C@H]2CCCC[C@H]2n2cc(CO)nn2)c1 328604867 LPRSLICZTUAFNJ-DLBZAZTESA-N 328.416 2.876 30 50 EFEA Cc1cc(C#N)ccc1C(=O)N1CCC(OC[C@H]2CCCO2)CC1 128888729 QGLMSABLNCIHOF-QGZVFWFLSA-N 328.412 2.667 30 50 EFEA CCCCCCCN[C@@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 2183474 MUMZVHWDAPKNQL-MRXNPFEDSA-N 346.427 2.665 30 50 EFEA C=C(C)COc1ccccc1CNCc1ccc(S(N)(=O)=O)cc1 55403846 QJUMERIMCIAYJU-UHFFFAOYSA-N 346.452 2.579 30 50 EFEA N#CC1(C#N)[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12CC[C@H]1CO[C@H]2O1 106231342 YBGTXIWVFNFQLD-GUSZCTEKSA-N 328.755 2.708 30 50 EFEA C=CCC(=O)NC[C@H]1CCN(Cc2ccc(C(F)(F)F)nc2)C1 67673405 NQMRULLKQKNMSC-CYBMUJFWSA-N 327.350 2.615 30 50 EFEA COc1cc(C#N)ccc1CN1CCOC[C@@H]1CC(=O)c1ccco1 121124811 RNQQKHBZBGRSMZ-INIZCTEOSA-N 340.379 2.634 30 50 EFEA Cc1cc(C#N)ccc1S(=O)(=O)Nc1cnccc1N1CCCC1 328594013 ISTWTUPKHCCFQC-UHFFFAOYSA-N 342.424 2.663 30 50 EFEA C[C@H](NCc1ccccc1CN1CC[C@H](O)C1)c1ccc(C#N)cc1 180646269 LGUMQFAESXWNHG-KKSFZXQISA-N 335.451 2.976 30 50 EFEA N#Cc1cnc(N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)c(F)c1 685940617 PWZXBEOJADUESY-UGSOOPFHSA-N 339.374 2.911 30 50 EFEA CCCCCCCCNC(=O)N1CCC(CO)(CN(C)C)CC1 1772700742 GVTPJUVGZLRZLQ-UHFFFAOYSA-N 327.513 2.693 30 50 EFEA C1=CC[C@@H](/C=N/N=C(/c2ccccc2)C23CN4CN(CN(C4)C2)C3)CC1 19326457 GZYLUHJANOCZAJ-LDZZFEKASA-N 349.482 2.624 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2CCC[C@@H]2Cc2cc(C)nn2C)N=N1 2325886330 MMZSOFBJVHGLCN-WBVHZDCISA-N 341.459 2.912 30 50 EFEA C#CCCC1(CCNC(=O)c2cccc(Nc3ncccn3)c2)N=N1 2325891100 QOPSQKCXNZASBH-UHFFFAOYSA-N 334.383 2.916 30 50 EFEA Cc1ccc(Cl)cc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O 4384498 VOPOBMWQPUVNPP-UHFFFAOYSA-N 329.787 2.937 30 50 EFEA CCn1ncnc1C/N=C(/O)N1CCC[C@@H]1/C=C/c1ccccc1 328588299 BESCVXYFUMGOPY-SIFUEBAJSA-N 325.416 2.890 30 50 EFEA Cc1noc([C@H]2C[C@H](O)CN2C(O)=Nc2csc3ccccc23)n1 328633688 STVRRCZRZPQZLD-GXFFZTMASA-N 344.396 2.946 30 50 EFEA Cc1nsc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1C#N 298225620 AMIYOZUQRIHNSG-RYUDHWBXSA-N 341.392 2.837 30 50 EFEA OCC#Cc1csc(CN2CCCC[C@H]2CCn2cccn2)c1 828644568 FNPQMHNWNSSIMW-KRWDZBQOSA-N 329.469 2.733 30 50 EFEA C=C[C@@H](CC(=O)N1CCC[C@]2(CC(C(=O)O)=NO2)C1)c1ccccc1 1775993605 SERPAMAKSZWUIS-LIRRHRJNSA-N 342.395 2.568 30 50 EFEA C=CCN1C[C@H](C)N(C(=O)Nc2cc(C(=O)OC)ccc2C)C[C@@H]1C 1565511146 QUPYGIUSELEJJE-GJZGRUSLSA-N 345.443 2.894 30 50 EFEA CC(C)NS(=O)(=O)c1cc(C#N)ccc1N1C[C@@H]2CCCC[C@H]2C1 170602013 RGAHEMJHNZDPHD-HOTGVXAUSA-N 347.484 2.871 30 50 EFEA CN(C)c1cc(C#N)cc(C(=O)N2CCCN(CC3CCC3)CC2)c1 412320652 WTAIWEFLEHNUHT-UHFFFAOYSA-N 340.471 2.572 30 50 EFEA COc1ccc([C@H]2C[C@@H]2c2nc(C#N)c(N3CCOCC3)o2)cc1 1857798878 DXSKRAPAILUUKL-CABCVRRESA-N 325.368 2.663 30 50 EFEA C[C@](O)(C#Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 350849 QHDIWNGAMDBUEV-FQEVSTJZSA-N 325.383 2.922 30 50 EFEA N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]1[C@H]1CCCC1=O 252477328 MAPDBADWYXGMHE-ZBFHGGJFSA-N 345.830 2.984 30 50 EFEA CCN(CC(=O)O)C1CC(/N=C(/O)c2cccc(F)c2Cl)C1 328648986 UVLQNHLMWITJFU-UHFFFAOYSA-N 328.771 2.721 30 50 EFEA N#Cc1cccc(CNC(=O)N2CCO[C@@H](c3cccs3)C2)c1 156124669 CAMKCXXKTSFAHL-OAHLLOKOSA-N 327.409 2.903 30 50 EFEA COc1ccc(CN[C@H]2CCO[C@@H]2c2ccnn2C(C)C)cc1C#N 284706073 KGPLUHTYKFBJGA-LPHOPBHVSA-N 340.427 2.964 30 50 EFEA N#CC1(c2ccc(C(=O)N3CCCC[C@@H]3Cn3ccnn3)cc2)CC1 374772097 TXAXSMSQZIUZIX-QGZVFWFLSA-N 335.411 2.528 30 50 EFEA Cc1cc(S(=O)(=O)N[C@]2(C#N)CC2(C)C)sc1Br 290926660 JBVPTXMIWSCKAC-NSHDSACASA-N 349.275 2.790 30 50 EFEA C=CC[C@]1(CO)CCCN(C(=O)c2cnc(CN3CCCC3)s2)C1 91665492 KDXNOYWVHBZAGB-SFHVURJKSA-N 349.500 2.530 30 50 EFEA C=CC[C@@H](C)NC(=O)c1c(Br)n[nH]c1Br 1775990437 AZNUZOAKHBWXIK-RXMQYKEDSA-N 337.015 2.629 30 50 EFEA CCOc1cc(/C=N\N2CCN(c3ccccc3)CC2)ccc1O 15685134 XAJCFJLXDFGZTE-HKWRFOASSA-N 325.412 2.947 30 50 EFEA N#Cc1c[nH]c(C(=O)N2CCOc3ccc(Br)cc3C2)c1 252508906 XXDRLTSTAFKJBE-UHFFFAOYSA-N 346.184 2.684 30 50 EFEA CC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1OC1CCCC1 4868487 DPFPURWEZFPGOT-KRWDZBQOSA-N 339.399 2.872 30 50 EFEA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]21C 253671791 LCZBQMKVFQNSJR-MVYRNHQGSA-N 346.467 2.809 30 50 EFEA C[C@]12[C@@H]3[C@H]4/C(=N\Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[C@@H]5[C@H]([C@H]41)[C@@H]2[C@H]35 257346644 XMICSROKPRPLRR-AYKOGLFUSA-N 326.312 2.659 30 50 EFEA C=CCN1C[C@@H](C)N(C(=O)Nc2cc(C(=O)OC)ccc2C)C[C@H]1C 299765746 QUPYGIUSELEJJE-HUUCEWRRSA-N 345.443 2.894 30 50 EFEA COc1ccc(CCNC(=O)c2cccc(C#CC(C)(C)O)c2)cc1 824664721 AOUVDPMOKNJKMN-UHFFFAOYSA-N 337.419 2.790 30 50 EFEA CCC1(/N=C(/O)N=c2cc[nH]cc2Br)CCOCC1 330796423 GTGKMCZVSQGPQP-UHFFFAOYSA-N 328.210 2.551 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)cc1 19314932 JLXLFCZZWZKASV-QGZVFWFLSA-N 327.380 2.836 30 50 EFEA CCN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1ccnn1CC 253427719 NYQVHTDUWVMPPZ-UHFFFAOYSA-N 338.820 2.643 30 50 EFEA C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO 3860956 WHBHBVVOGNECLV-OBQKJFGGSA-N 346.467 2.811 30 50 EFEA endogenous,in-man Cc1c(/N=C/c2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C 100271198 DHYACILHZHDUBX-RGVLZGJSSA-N 335.363 2.964 30 50 EFEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2nc3ccccc3o2)C1 328612995 QOHZTGLIRKJROQ-INIZCTEOSA-N 327.344 2.601 30 50 EFEA Cc1cnn(C2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)CC2)c1 362979749 KAPVLFIWNXCTSK-HNNXBMFYSA-N 338.411 2.694 30 50 EFEA Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]3S[C@H]3[C@H]2[C@@H]4[C@H]53)cc1 248009775 IJOQHVCJLFLQPZ-FEDPUQNWSA-N 334.462 2.695 30 50 EFEA C=C(C)COc1ccccc1C(=O)N1CC[C@]2(OC)CC[C@@H](O)C[C@H]12 299794463 JJAXYVLDZUHUHH-MOXGXCLJSA-N 345.439 2.786 30 50 EFEA Cn1c2ccc(Br)cc2c2nnc(SCC#N)nc21 826724912 MUVVCGWRKJTSKB-UHFFFAOYSA-N 334.202 2.895 30 50 EFEA Cc1nc(NCc2nnc([C@H]3CCCOC3)o2)c(Cl)cc1C#N 886079310 QVODLZLKUNXLMC-JTQLQIEISA-N 333.779 2.804 30 50 EFEA N#C[C@H]1CC[C@@H](NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 170598050 XWZFQZTYFHXDQT-GXSJLCMTSA-N 340.210 2.532 30 50 EFEA C#CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 12725802 RGHPUUIEYOUBTI-LJQANCHMSA-N 338.451 2.506 30 50 EFEA COc1ccc(/C=N/OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 2519752 TWTJCVWXXIEEMA-CXUHLZMHSA-N 345.267 2.703 30 50 EFEA COC1(CN(C)C)CCN(c2nc3ccccc3c(C)c2C#N)CC1 2356153278 ZDOCEJTUMKMVEB-UHFFFAOYSA-N 338.455 2.962 30 50 EFEA CC(C)(O)C#Cc1cccc(C(=O)N[C@@H]2COc3ccccc3C2)c1 1506409114 OGOAZPQZIXAZPS-SFHVURJKSA-N 335.403 2.543 30 50 EFEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1ncccc1C#N 328633320 SLSCJMGSJDYRNO-NSHDSACASA-N 335.333 2.867 30 50 EFEA Cc1cc(C#N)nc(N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1 285173482 VBAIKJUYSYXIOS-LSDHHAIUSA-N 348.328 2.988 30 50 EFEA C=CCn1ncc(CN2CCC[C@H](c3nnc4ccccn34)C2)c1C 820505364 UHJQONKUHOTIGC-INIZCTEOSA-N 336.443 2.800 30 50 EFEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2cc(Cl)c[nH]2)cc1 1565507245 GMYBEFYWXHNWQG-HOCLYGCPSA-N 345.786 2.506 30 50 EFEA CC[C@H]1OCCC[C@H]1C(=O)N1CCCN(c2ccccc2C#N)CC1 277148975 WQXSYGDPPFLNFK-IEBWSBKVSA-N 341.455 2.802 30 50 EFEA CCOC(=O)COc1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 169905043 KDZLXLNAHRVMPT-UHFFFAOYSA-N 340.612 2.581 30 50 EFEA in-vitro Cc1ccnc(N=C(O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)c1 328626461 LSHYJURUEDRVSL-GFCCVEGCSA-N 331.376 2.515 30 50 EFEA O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1cccnc1)n1ncnc1N2 4707494 UJEUWDIFWMBAQY-SJKOYZFVSA-N 333.351 2.682 30 50 EFEA C=CCN(Cc1ccccc1C)C(=O)CC[C@@H](C)N1CCN(C)CC1 55053426 MTCAQMWBMZIERQ-LJQANCHMSA-N 343.515 2.926 30 50 EFEA Cc1nc(C)c(C(=O)/C=C2/Nc3ccc([N+](=O)[O-])cc3OC2=O)s1 100147120 SCCXTAWGPIARGU-IZZDOVSWSA-N 345.336 2.766 30 50 EFEA C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 403529 WJBLNOPPDWQMCH-MBPVOVBZSA-N 339.435 2.513 30 50 EFEA biogenic,world Cc1cccc(C)c1/C(O)=N/[C@H]1CCc2c(nc(C)n2CCO)C1 328596860 AYAMHNMBXZKRFV-HNNXBMFYSA-N 327.428 2.663 30 50 EFEA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1ccccc1Cl 239425682 UZVXTCIYZHORKC-XMDOAZLISA-N 326.783 2.727 30 50 EFEA COCCOc1ccc(NC(=O)NCC2CCC(C#N)CC2)cn1 282666147 KCQXIQGLKKYSNM-UHFFFAOYSA-N 332.404 2.558 30 50 EFEA COC(=O)c1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1 2506450 HGCMSVSNIXRNKJ-VCHYOVAHSA-N 331.372 2.933 30 50 EFEA CC(C)(O)C#Cc1ccc(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C32CC2)o1 102268070 MHBWOKMATOMSCQ-IIAWOOMASA-N 325.408 2.734 30 50 EFEA CC1(C#N)CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)CC1 408165796 NYCPEMJHEUQHKK-CVEARBPZSA-N 331.460 2.567 30 50 EFEA N#CC1(C(=O)N2CCC[C@H](OCc3ccccc3F)C2)CCOCC1 375917330 QYAYYOROBWDYHJ-INIZCTEOSA-N 346.402 2.654 30 50 EFEA C=CC[C@]1(CO)CCCN(C(=O)C2CCN(Cc3ccco3)CC2)C1 91461660 FIEDGGFMFMFSPC-FQEVSTJZSA-N 346.471 2.669 30 50 EFEA COC(=O)c1cc(-c2ccc(/C=N/n3cnnc3)o2)ccc1Cl 440597 BDSSIGAHMPQOFZ-FBCYGCLPSA-N 330.731 2.860 30 50 EFEA CC1(C)Cc2c(sc(/N=C/N3CCOCC3)c2C#N)C(C)(C)N1 13113850 DDUSAGRCHSZJGP-YBFXNURJSA-N 332.473 2.771 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(C)C)cc1 13285517 OUUGQOLSGBFYRU-GOSISDBHSA-N 340.423 2.894 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 19911972 XIJNKSNOHTVHTR-MRXNPFEDSA-N 326.396 2.859 30 50 EFEA C[C@@H]1C[C@H](NC(=O)C2(C#N)CCCC2)CCN1C(=O)OC(C)(C)C 225572840 QLTHPVJDBOCSHB-ZIAGYGMSSA-N 335.448 2.975 30 50 EFEA Cn1cc(-c2ccc(=O)n(Cc3ccc(C#N)c4ccccc34)n2)cn1 2325854617 MQRFPXCTOVLGFF-UHFFFAOYSA-N 341.374 2.717 30 50 EFEA COc1cc(C(=O)Nc2ccc(C#N)cc2)c([N+](=O)[O-])cc1OC 304002 GLENJTKAMUBSHK-UHFFFAOYSA-N 327.296 2.736 30 50 EFEA C=CC[C@@]1(CO)CCCN(Cc2cc(C(N)=O)oc2C(C)(C)C)C1 91829193 KYNJFMBWALAQIT-LJQANCHMSA-N 334.460 2.827 30 50 EFEA N#Cc1ccc(C2(C(=O)N3CC[C@H](Oc4cccnc4)C3)CC2)cc1 188574715 LFJHZINCZARNSF-SFHVURJKSA-N 333.391 2.665 30 50 EFEA COc1cc(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2OC)ccc1C#N 344612646 ZIFYAKDHEZDGFO-RCCFBDPRSA-N 330.428 2.583 30 50 EFEA C=CCN1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Cl)CC1 20311760 ZCUDCPSPJLQPKJ-GFCCVEGCSA-N 326.799 2.577 30 50 EFEA C=C(C)COc1ccc(C(=O)N[C@H](C(=O)O)c2c(C)n[nH]c2C)cc1 67741059 NOEBSUGAJDITDE-INIZCTEOSA-N 343.383 2.537 30 50 EFEA CN(C/C(O)=N/Cc1ccco1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328625748 DMBYGZJSSRWIPD-LPHOPBHVSA-N 342.443 2.756 30 50 EFEA Cn1cc(C#N)cc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 408283578 MCISUJYGZLVVLZ-UHFFFAOYSA-N 348.450 2.560 30 50 EFEA Cc1ncc(CN(C)CC#CCN(C)Cc2cnc(C)s2)s1 283979732 FRVUHKJNGLFOSK-UHFFFAOYSA-N 334.514 2.784 30 50 EFEA CC(C)(C)OC(=O)N1CC[C@@H]1CSc1nc(N)c(C#N)cc1C#N 952993825 RSZPVSUDIGOVMM-GFCCVEGCSA-N 345.428 2.509 30 50 EFEA C[C@@H]1CCCN(C(=O)C2CCN(c3c(C#N)cccc3C#N)CC2)C1 302828134 ILDRKFSHCMKUMP-OAHLLOKOSA-N 336.439 2.905 30 50 EFEA CCOC(=O)c1ccc(-n2c(C)cc(/C=N/n3cnnc3)c2C)cc1 37440 BQHQXVWITSLFQK-UFFVCSGVSA-N 337.383 2.745 30 50 EFEA CCOc1ccc(C[C@H]2S/C(=N/N=C/c3ccco3)NC2=O)cc1 5047069 OUGPJWOLZOBHHI-CLXYIWAZSA-N 343.408 2.843 30 50 EFEA C#Cc1ccc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)cc1 19794692 ICXAYDIYQVCFSQ-QHCPKHFHSA-N 348.490 2.779 30 50 EFEA Cc1c([C@@H](C)/N=C(/O)N2CCN3CCOC[C@H]3C2)oc2ccccc12 328594645 ANRNCZBOFOCNOA-HUUCEWRRSA-N 343.427 2.733 30 50 EFEA COC1(OC)[C@@H](C=Cc2ccc(C)cc2)C(C#N)(C#N)C1(OC)OC 1857795379 GYTCFYIQKPCWCT-INIZCTEOSA-N 342.395 2.650 30 50 EFEA CC[C@H](CC#N)NC(=O)CSc1nccn1Cc1ccccc1 864057477 MRBKRUOKPLYRPX-OAHLLOKOSA-N 328.441 2.832 30 50 EFEA CN(CCN(C)C1CCCC1)C(=O)c1ccc(C#CC(C)(C)O)cc1 1506416030 SBZJFBPVQJGUJN-UHFFFAOYSA-N 342.483 2.755 30 50 EFEA COC(=O)c1cc(C/N=C(/O)c2c[nH]c3cccnc23)ccc1OC 328594398 HRPSGLWINXJLKR-UHFFFAOYSA-N 339.351 2.863 30 50 EFEA N#Cc1cccc(CC/N=C(/O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 328588060 OGIJSRABYUNAKO-IEBWSBKVSA-N 327.428 2.642 30 50 EFEA O/C(=N/C[C@@H]1C[C@H](F)CN1Cc1nccs1)N[C@H]1C=CCCC1 328656614 ZMDNTSMDFKNEOI-IHRRRGAJSA-N 338.452 2.668 30 50 EFEA O/C(CCc1nccs1)=N/C1CCN([C@@H]2CCCC[C@@H]2O)CC1 328963860 RJSRZXLGYIXYHA-CABCVRRESA-N 337.489 2.800 30 50 EFEA OC(=Nc1nc2ccsc2s1)N1CCn2c(nnc2C2CC2)C1 329546147 IAPIDEFXXHKWIK-UHFFFAOYSA-N 346.441 2.888 30 50 EFEA CC(C)OC(=O)COc1ccc2c(c1)O/C(=C/c1cccn1C)C2=O 218062100 KFARCARVBVXAFD-RQZCQDPDSA-N 341.363 2.972 30 50 EFEA biogenic CCc1nc(C)c(-c2cc(-c3c(C)nn(C)c3C)nc(N)c2C#N)[nH]1 71589573 STCWZUJAQWBCLF-UHFFFAOYSA-N 335.415 2.814 30 50 EFEA Cc1cc(C(=O)N2CC(=O)N(c3ccccc3C#N)C[C@@H]2C)c(C)o1 82120589 WNUCGEPWVXVINS-LBPRGKRZSA-N 337.379 2.646 30 50 EFEA C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 257359168 YVMJVRXYBPUPKF-TVWVXWENSA-N 328.452 2.853 30 50 EFEA C=CCNC(=O)CCN1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 252500121 SNIBFIUMDKLCKK-OAHLLOKOSA-N 326.444 2.510 30 50 EFEA C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]21OCC1=O 257357985 RCHAJOCTTNTLHW-LXYRKZDWSA-N 342.435 2.603 30 50 EFEA C#CCCC1(CCNC(=O)c2ccnc(N(C)CC3CC3)c2)N=N1 2325891063 OHNMJDXWTZKEKI-UHFFFAOYSA-N 325.416 2.623 30 50 EFEA C=CCC(=O)N1CCOc2c(O)cc(-c3nc(C)cnc3C)cc2C1 67641840 LIWLVOBMMUNCAW-UHFFFAOYSA-N 339.395 2.763 30 50 EFEA CCn1ccnc(N2CCC(/N=C(/O)C(C3CC3)C3CC3)CC2)c1=O 328631969 LBFBBUDMVQVJTH-UHFFFAOYSA-N 344.459 2.625 30 50 EFEA N#Cc1ccc(NCC2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 253431502 HIILDYWKLULPDG-HXUWFJFHSA-N 336.439 2.811 30 50 EFEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)COc2cccnc2)cn1 328641335 XTYPOOCHGSDVTD-DOTOQJQBSA-N 330.388 2.554 30 50 EFEA N#Cc1cc(F)cc(C(=O)N2CCC[C@@H](OCc3cccnc3)C2)c1 91547784 IGDUQWLDXDYFLC-GOSISDBHSA-N 339.370 2.914 30 50 EFEA N#Cc1ccccc1CN1C[C@H]2CC[C@@H]1CN(C1CCOCC1)C2 95378094 RSZKJUAPPHGWNV-OXQOHEQNSA-N 325.456 2.633 30 50 EFEA N#Cc1ccnc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)c1 299760534 VZJAQSTUWSXRIL-NRFANRHFSA-N 332.451 2.628 30 50 EFEA C#CCCC1(CCC(=O)Nc2ccccc2N2CCC(O)CC2)N=N1 952883722 ZATCTAHEPPVILE-UHFFFAOYSA-N 340.427 2.942 30 50 EFEA C#CC[C@@H](OC(=O)c1ccc2c(=O)n(CC)c(S)nc2c1)C1CC1 170654757 YXSPKDKEOVDMFR-OAHLLOKOSA-N 342.420 2.664 30 50 EFEA O=C1N/C(=N/c2ccc(O)cc2)S/C1=C1/C(=O)Nc2ccccc21 19794742 MHLJDVDSEAUVCD-BUHFOSPRSA-N 337.360 2.606 30 50 EFEA CC1=C(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O 401315 OAERAWMXUYTXEK-UHFFFAOYSA-N 331.327 2.678 30 50 EFEA Cc1noc([C@@H](/N=C(/O)c2sc(C)nc2C)C2CCOCC2)n1 328610165 GSKGPHNQHGCCSZ-LBPRGKRZSA-N 336.417 2.924 30 50 EFEA C=CCOC(=O)N1CCN(c2ccc(Br)cc2)CC1 38537493 MTNKHWRTDGQBGE-UHFFFAOYSA-N 325.206 2.894 30 50 EFEA C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]1/C=C/c1ccccc1 253396950 AWSSPTWHYYQBCY-ALZIZJOTSA-N 333.457 2.500 30 50 EFEA CC[C@@H]1CN(c2ccc(C#N)cn2)CCC(=O)N1Cc1ccccc1 71771127 RTVBDPPTYROWDJ-GOSISDBHSA-N 334.423 2.971 30 50 EFEA C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CCC(C)(C#N)CC1 285222017 PIEWVWCDCMUNCT-SJLPKXTDSA-N 325.456 2.907 30 50 EFEA Cc1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc(C)n1 981248553 FZFBUGUBRMLQFB-UHFFFAOYSA-N 348.450 2.918 30 50 EFEA C=CCN(C)CCN(CC)C(=O)Cc1csc(-c2ccccn2)n1 408515195 CVCLPWCLKKWPSP-UHFFFAOYSA-N 344.484 2.714 30 50 EFEA CC#CCN1[C@@H](c2ccc(Br)cc2)CCS1(=O)=O 1875275602 BOJGLUWSEISQKW-CYBMUJFWSA-N 328.231 2.549 30 50 EFEA O=[N+]([O-])c1cccc(/C=N/n2c(-c3cccnc3)n[nH]c2=S)c1 13110577 KLGQQTFNYXCYNG-LZYBPNLTSA-N 326.341 2.793 30 50 EFEA CN1CC[C@@H](CN/C(O)=N/Cc2ccsc2)[C@@H]1c1cccnc1 328625961 LFPSSVIGEKKQKJ-HOTGVXAUSA-N 330.457 2.840 30 50 EFEA C/C=C(/C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@@]12C 5132563 KUPPZVXLWANEJJ-UXPPPGSFSA-N 346.423 2.843 30 50 EFEA biogenic,in-vitro CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)OCc1ncc(C#N)cn1 842058105 FLGSBASRJUAAKS-VNQPRFMTSA-N 331.416 2.869 30 50 EFEA C#CCCC1(CCC(=O)N(C)CCc2ccc(O)c(OC)c2)N=N1 2325893465 JOPLNSZHIIKGRA-UHFFFAOYSA-N 329.400 2.757 30 50 EFEA N#CCc1cccc(/C(O)=N/Cc2nc(CN3CCCCC3)no2)c1 328589977 QLNIFYVDAFAYMK-UHFFFAOYSA-N 339.399 2.626 30 50 EFEA C=CCc1cc(C(=O)N2CC[C@]3(CCCN(C)C3=O)C2)ccc1OC 91665254 KPZHVOVTLHGVPY-HXUWFJFHSA-N 342.439 2.508 30 50 EFEA N#Cc1ccc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)nc1 91908314 CGAMLUSIWZRVHA-SFHVURJKSA-N 344.422 2.977 30 50 EFEA CN(C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/c1ccn(C)c1 276875146 HQZXHFRESUQBDP-BQYQJAHWSA-N 336.439 2.500 30 50 EFEA CC/N=C(/NC[C@H]1CCO[C@H]1c1ccccc1)NCC(C)(C)N(C)C 170650685 AZGMSLONOUCYSM-MSOLQXFVSA-N 346.519 2.660 30 50 EFEA COc1ccc(Cl)cc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O 5001083 RHMBBWVQDCVNBS-UHFFFAOYSA-N 345.786 2.638 30 50 EFEA Cc1cc(C(=O)CSc2ncc(C#N)c(N)n2)c(C)n1C1CC1 15019453 GORQRSFCUALHDH-UHFFFAOYSA-N 327.413 2.659 30 50 EFEA CC1(C)OB(c2ccc(C(=O)NCc3ccco3)cc2)OC1(C)C 169746078 ZNYVQYJVECCENX-UHFFFAOYSA-N 327.189 2.509 30 50 EFEA Cn1cncc1[C@@H]1C[C@@H](/N=C(/O)c2ccc3c(c2)COC3)CCO1 330341099 YUQMVAYDAQFYKC-RDJZCZTQSA-N 327.384 2.675 30 50 EFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(C)s1 296661 NRHBHYGVLUFVEL-CQSZACIVSA-N 333.409 2.911 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)c2cccc(Cl)c2)cc1OC 4915545 GYKNRVJPGKTAOW-UHFFFAOYSA-N 334.759 2.835 30 50 EFEA CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/N2CCCC2)C1=O 100858594 QIDXPVFVCBTANK-QBFSEMIESA-N 325.364 2.970 30 50 EFEA CC(C)N(C(=O)[C@H](C)O/N=C(\N)CN1[C@H](C)CCC[C@H]1C)C(C)C 253431571 WJLSUDDCXKYBDG-OAGGEKHMSA-N 340.512 2.572 30 50 EFEA Cc1ccccc1[C@H]1C(=O)NCCN1CCCC1(C#N)CCOCC1 369058706 YRWDPEDFXZXHPN-SFHVURJKSA-N 341.455 2.569 30 50 EFEA Cc1c(C#N)c(N2CCC[C@@H](CS(C)(=O)=O)C2)nc2ccccc12 295691164 OJAOUEPXYCQKGH-CQSZACIVSA-N 343.452 2.676 30 50 EFEA COC(=O)c1ccc(Br)cc1CN(C)[C@H](C)CC#N 252509267 YIUPUYDRINGZGK-SNVBAGLBSA-N 325.206 2.970 30 50 EFEA C[C@H]1CN(c2oc(COc3ccc(F)cc3)nc2C#N)C[C@@H](C)O1 12492495 NANKRADVXHFNBL-TXEJJXNPSA-N 331.347 2.878 30 50 EFEA C#CCCS(=O)(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1OCc1ccccc1 2325823108 FIXHOWLNCVXXTN-NXHRZFHOSA-N 335.469 2.703 30 50 EFEA C#CCCC1(CCNC(=O)c2cnn(C)c2-n2c(C)ccc2C)N=N1 2325891106 QYJYWHPAKUPOGN-UHFFFAOYSA-N 338.415 2.523 30 50 EFEA Cc1nnc(/N=C(\O)[C@H](C)N2CCN(c3ccccc3F)CC2)s1 20018405 DIALPVJBABJJEQ-NSHDSACASA-N 349.435 2.784 30 50 EFEA Cc1cc(N=C(O)N2C[C@@H](C)O[C@]3(CCOC3)C2)c2ncccc2c1 328595922 KLCZVEAJHFGURH-AUUYWEPGSA-N 341.411 2.969 30 50 EFEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2ccc(C#N)c(Cl)c2)C1 328608309 ABXPJEGLKIXPNY-INIZCTEOSA-N 345.790 2.985 30 50 EFEA Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/N2CCN(C)CC2)o1 2744820 PUZGEXQLJVTNQW-LDADJPATSA-N 328.372 2.745 30 50 EFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cn(CC)nc1C 5728190 QQEVKGHMFNPWIP-KRWDZBQOSA-N 343.427 2.742 30 50 EFEA C=CCCN1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 77539640 XGSAHXITZSSVFD-FQEVSTJZSA-N 327.472 2.905 30 50 EFEA CCN1CCc2nc(N)c(C#N)c(-c3ccc(NC(C)=O)cc3)c2C1 72130641 BMGFEDZOLMXCAW-UHFFFAOYSA-N 335.411 2.539 30 50 EFEA C=CCCCS(=O)(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 952994138 QKQWDBQPXBMFMM-UHFFFAOYSA-N 343.298 2.841 30 50 EFEA N#Cc1cnc(N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)cn1 280127067 AZKRYEKASGZONM-BXUZGUMPSA-N 334.301 2.679 30 50 EFEA C=C1[C@H]2CC[C@]3([C@@H]([C@H]2O)[C@@]24CCC[C@@]5(C)CN(CC)[C@H]2[C@@H]3C[C@@H]45)[C@@H]1O 100073512 OVXLNQAYPUEDSI-BVSYEXFBSA-N 343.511 2.821 30 50 EFEA C#CCCC1(CCC(=O)N[C@H](CCC)C(=O)Nc2nccs2)N=N1 2325899848 ASUVSZSWGSJWJA-GFCCVEGCSA-N 347.444 2.722 30 50 EFEA COc1ccc(C(=O)[C@]2(C)N(O)[C@H](C)C(c3cccs3)=[N+]2[O-])cc1 2994170 TUHVFKNTNUSOMW-PIGZYNQJSA-N 346.408 2.749 30 50 EFEA C=CCOc1c(I)cc(CNCC)cc1OC 4856383 IQNJDOPSAGTOPN-UHFFFAOYSA-N 347.196 2.974 30 50 EFEA CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 250570239 WKIMYRIQRDNBJD-BFHYXJOUSA-N 349.228 2.786 30 50 EFEA Cc1ncsc1-c1cc(-c2ccc(C#CCO)cc2)c(C#N)c(N)n1 71748362 RHXMRQAHLSBAIO-UHFFFAOYSA-N 346.415 2.978 30 50 EFEA Cc1cc(C)n([C@@H]2CCCN(Cc3cnc4ccc(C#N)cn34)C2)n1 371415944 DQYKKURTKBOZFJ-QGZVFWFLSA-N 334.427 2.856 30 50 EFEA COc1ccc2c(c1)C[C@@H](C(=O)Nc1snc(C)c1C#N)CO2 298550894 DUNCJVFDZJIWBW-LLVKDONJSA-N 329.381 2.522 30 50 EFEA C=CCn1cc2ccc(NC(=O)NC3CCC(C(=O)O)CC3)cc2n1 899318230 SBARJYWHARKQDB-UHFFFAOYSA-N 342.399 2.987 30 50 EFEA N#Cc1ccc2c(c1)C[C@H](NS(=O)(=O)/C=C/c1ccc(F)cc1)C2 1365727715 HKODWQNDIGRNLE-LKGOPFMKSA-N 342.395 2.755 30 50 EFEA Cn1nc(-c2ccccc2)c2c1CCN(Cc1c[nH]c(C#N)c1)CC2 1857698353 MWGADJZGPMHRII-UHFFFAOYSA-N 331.423 2.888 30 50 EFEA C[C@@H]1CN(c2oc(COc3ccc(F)cc3)nc2C#N)C[C@@H](C)O1 108737 NANKRADVXHFNBL-VXGBXAGGSA-N 331.347 2.878 30 50 EFEA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@H]2c1cccc(Cl)c1 101348546 JHHBTHAUHPMWAV-FMSQNYNMSA-N 347.798 2.596 30 50 EFEA N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2ccc(Cl)o2)cc1 219111638 KSNZSPZZOXXEFV-ZIAGYGMSSA-N 346.770 2.771 30 50 EFEA Cc1oc(/C(O)=N/[C@]2(C)CC=CCC2)cc1S(=O)(=O)N(C)C 331358799 VQDGYEGETQCQCH-OAHLLOKOSA-N 326.418 2.642 30 50 EFEA Cc1oc(NC(=O)CN2CC[C@@H](Cc3ccncc3)C2)c(C#N)c1C 364703142 HETMJLNIAXONIV-INIZCTEOSA-N 338.411 2.666 30 50 EFEA CCOC(=O)c1cccc(-c2cc([C@H]3CCOC3)c(C#N)c(N)n2)c1 71736146 ALMGARKQUHWXJZ-AWEZNQCLSA-N 337.379 2.883 30 50 EFEA N#Cc1cc(F)c(N2CC[C@H]3CC[C@@H](O)[C@H]32)cc1Br 1875299415 KCRWTYUHNKPYKG-WZYXQFPFSA-N 325.181 2.809 30 50 EFEA CC1(c2cc(=NC(=O)c3ccc(N4CCCC4)c(C#N)c3)[nH][nH]2)CC1 1875278637 QQVPKXUVFIYUKP-UHFFFAOYSA-N 335.411 2.607 30 50 EFEA CCNC(=O)[C@@H]1CC[C@](C)(C(=O)NCc2ccc(C#N)cc2)C1(C)C 1076139942 HWIOZMXMOSDUMJ-OXJNMPFZSA-N 341.455 2.753 30 50 EFEA C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccon1 119239767 OIYOCKPEBVIYSU-UHFFFAOYSA-N 325.777 2.543 30 50 EFEA N#Cc1cc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)ncn1 408514560 ROBTVWMKNONXBR-IEBWSBKVSA-N 333.439 2.839 30 50 EFEA CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101021566 NZYSNXHFFINCNV-NFUMSXHISA-N 344.798 2.880 30 50 EFEA C=CCn1ncc(CN2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)c1C 65531116 MYZGNXBLELTDOB-RBUKOAKNSA-N 329.419 2.867 30 50 EFEA N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 253428062 GNGNGUNOADAAGE-LLVKDONJSA-N 340.343 2.506 30 50 EFEA COc1cccc([C@H]2O[C@@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@@H]3C)c1 226984310 NTIDUYYKZFRVAA-QQFPMYEESA-N 336.351 2.670 30 50 EFEA N#C[C@]1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CCc2ccccc2C1 183919950 OKVHUFBKNUGNKQ-IBGZPJMESA-N 335.363 2.705 30 50 EFEA CC1CCC2(CC1)OC[C@H](CNc1nccc(C#N)c1[N+](=O)[O-])O2 272050891 XMJSGSVELSDUJQ-ULKWEWGCSA-N 332.360 2.595 30 50 EFEA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1cc(C#N)c[nH]1)CC2 1857710523 BNCVJMNLDYZCRX-UHFFFAOYSA-N 345.406 2.528 30 50 EFEA CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)CC(C)C 35287621 XLWZJEAUSXBPLM-IHRRRGAJSA-N 325.453 2.980 30 50 EFEA in-vitro Cn1cc(/C(O)=N/C[C@@H]2CCc3ccccc32)c([C@@H]2CCOC2)n1 328626091 LISBCBDARAJPMC-LSDHHAIUSA-N 325.412 2.959 30 50 EFEA Cc1c(CN2CCCC[C@@H]2CCN2CCCC2=O)cc(C#N)n1C 77343507 OMOHFSRIAAUTIR-QGZVFWFLSA-N 328.460 2.572 30 50 EFEA CC(C)(C#N)CCCN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 177149770 KFZUFBKXTIKKCM-SFHVURJKSA-N 327.384 2.546 30 50 EFEA C=CC[C@@H](CC)NC(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 252479866 BOFOHEXCQGHNDK-JZXOWHBKSA-N 329.444 2.860 30 50 EFEA C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)O 135378 DLLXLPVRSGKCOD-UHFFFAOYSA-N 339.804 2.873 30 50 EFEA Cc1cc(C#N)c(N2CC[C@]3(CCCN(C(C)C)C3=O)C2)nc1C 91519304 QRFYVHQNBBNXCD-LJQANCHMSA-N 326.444 2.797 30 50 EFEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2ccc(C#N)cc2F)C1 888102876 SDQKRXHQLMKPBX-WBVHZDCISA-N 328.391 2.999 30 50 EFEA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2Cc1cc(C#CCO)cs1 1857679727 RRJHSWDXNLWHOV-KVSKMBFKSA-N 347.480 2.788 30 50 EFEA C[C@@](O)(C/N=C(/O)C1(c2cncc(Br)c2)CC1)C1CC1 328837580 TUJDVACHCHNIKP-CQSZACIVSA-N 339.233 2.993 30 50 EFEA Cc1cccc([C@@H]2CCCN2S(=O)(=O)Cc2csc(C#N)c2)n1 914258536 YEWDHODWAXLRKX-INIZCTEOSA-N 347.465 2.990 30 50 EFEA C#CCn1c(C(=O)Nc2nccc3nccnc23)cc2ccccc21 2325828491 INIYQAKDQAKDIE-UHFFFAOYSA-N 327.347 2.865 30 50 EFEA C=CCN(Cc1ccc(F)cc1)Cc1ccccc1OCC(N)=O 55357816 QIWCMISIIADWSY-UHFFFAOYSA-N 328.387 2.878 30 50 EFEA Cc1cccc(N(C)C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)n1 367714423 BCDKAGSKJHMNFA-HNNXBMFYSA-N 338.386 2.890 30 50 EFEA C=CCCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 72430355 OVVSYMDGDKZFGI-HXUWFJFHSA-N 341.455 2.779 30 50 EFEA C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](c3cccs3)C2)CC1 159339879 RZVAWZCVGDVMSA-MRXNPFEDSA-N 349.500 2.872 30 50 EFEA C=CCc1c(C)nc(N2CCN(c3cccc(Cl)c3)CC2)[nH]c1=O 9095250 MZFQXISJRGRGGC-UHFFFAOYSA-N 344.846 2.787 30 50 EFEA CC(=O)[C@H](OC1=CC(=O)C[C@H](c2ccccc2)C1)C(=O)OC(C)C 100161778 QEAFHWWVECLYFF-YJBOKZPZSA-N 330.380 2.943 30 50 EFEA CC1(C)CO[C@H](c2ccccc2)CN1CC(=O)N[C@](C)(C#N)C1CC1 229494928 FTOVRUYNOFLMEJ-FXAWDEMLSA-N 341.455 2.647 30 50 EFEA O/C(=N/[C@H]1CCCN(c2nccnc2O)C1)c1cccc2c1CCC2 328632250 LGECGGDAKZSRQF-AWEZNQCLSA-N 338.411 2.645 30 50 EFEA CCN(CC(=O)O)C1CC(/N=C(/O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 328651490 VYHBARAISCFKJP-QDIHITRGSA-N 334.391 2.823 30 50 EFEA N#Cc1cc2c(nc1N[C@H]1CCCN(c3ncccn3)C1)CCCC2 72423450 HHSFXHOFOXNYRK-INIZCTEOSA-N 334.427 2.703 30 50 EFEA O=C(NC1CCN(C(=O)C#Cc2ccccc2)CC1)c1ccsc1 175054655 ABCMHJNJJPWWBE-UHFFFAOYSA-N 338.432 2.521 30 50 EFEA N#Cc1ccc(CSc2nnnn2C2CC2)c(Br)c1 182267025 BOINHUKVDUKUGS-UHFFFAOYSA-N 336.218 2.934 30 50 EFEA C=CCN(CC=C)C(=O)CCSCCC(=O)N(CC=C)CC=C 5898809 MHNLWCKTVUKEHG-UHFFFAOYSA-N 336.501 2.901 30 50 EFEA CC#CC(=O)N(CCOC)CC1CCN(Cc2ccccc2F)CC1 12314818 XWHGKMCIJGSERH-UHFFFAOYSA-N 346.446 2.536 30 50 EFEA COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccc1 12970218 KDVKWXAFIIJKKP-INIZCTEOSA-N 341.363 2.813 30 50 EFEA CN(Cc1ccc(C#N)s1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328632296 LIOKFSRCGVRMCZ-KBXCAEBGSA-N 343.500 2.868 30 50 EFEA N#Cc1ccc(Nc2cccc(C(=O)N3CC[C@@H](CC(N)=O)C3)c2)cc1 377161724 ILTXFLLMEAKYHL-HNNXBMFYSA-N 348.406 2.639 30 50 EFEA COc1cc(C(=O)ON=C2C(C)=CC(=O)C=C2C)cc(OC)c1OC 102100 ZRXYXSXFKCLGLM-UHFFFAOYSA-N 345.351 2.701 30 50 EFEA Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1ccc(C#N)cn1 328629390 OVAJPPWOSXCDQX-ZDUSSCGKSA-N 326.425 2.910 30 50 EFEA N#Cc1ncc(C(F)(F)F)cc1-n1cnc(C(F)(F)F)cc1=O 261494835 KWUFVCRYLYTYOJ-UHFFFAOYSA-N 334.179 2.537 30 50 EFEA C#CCN(C)C/C=C/C(=O)N1CCc2cccc(C(F)(F)F)c2C1 1875387356 DCQNDFWBSLXOPW-VMPITWQZSA-N 336.357 2.711 30 50 EFEA CC[C@@H](CC#N)NC(=O)[C@@H](c1cc(Br)cs1)N(C)C 408514066 WNMZBHFURPKQEN-CMPLNLGQSA-N 344.278 2.922 30 50 EFEA N#Cc1cnn(-c2ccccc2)c1N=C(O)CN[C@@H]1CCC[C@H]1C#N 328593510 CPKHXFGMNRWXFO-XJKSGUPXSA-N 334.383 2.614 30 50 EFEA N#CCC[C@H](NS(=O)(=O)c1ccc2c(c1)CCO2)c1ccccc1 124566718 SDRTVTXZAMFXLO-KRWDZBQOSA-N 342.420 2.945 30 50 EFEA COc1cc(OC)c([C@H]2Nc3ccccc3C(=O)N2O)cc1OC 1015937 YAQYLMZJDJDDNN-INIZCTEOSA-N 330.340 2.668 30 50 EFEA N#Cc1cccnc1N1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 75996613 DSKZKYXVFOSDCP-UHFFFAOYSA-N 347.422 2.796 30 50 EFEA C/N=C(/NCCc1nc(C)c(C)s1)NCCc1ccccc1F 170590937 NVJOVGMIEORTGS-UHFFFAOYSA-N 334.464 2.849 30 50 EFEA N#Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)c[nH]1 225407171 BKWQOTPVZFWRQA-DOMZBBRYSA-N 349.312 2.853 30 50 EFEA Cc1ccnc(N2CCCC[C@H]2c2nc(-c3ncccn3)no2)c1C#N 225575634 CDNBZBFQPMRROZ-AWEZNQCLSA-N 347.382 2.833 30 50 EFEA COc1cc(C(=O)O/N=C2\C=CC(=O)C(C)=C2C)cc(OC)c1OC 13113819 NJUFONRZJKYFCP-CPNJWEJPSA-N 345.351 2.701 30 50 EFEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(Cl)cc1)[C@H]1C=C[C@H]2C12CC2 105214710 GZALAPHOSCORED-OEARENNWSA-N 326.783 2.871 30 50 EFEA C=CCN1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Cl)CC1 20311764 ZCUDCPSPJLQPKJ-LBPRGKRZSA-N 326.799 2.577 30 50 EFEA C#C[C@@H](NC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)C(C)C 252485205 GPCFKSTZQAHBAH-MSOLQXFVSA-N 345.418 2.576 30 50 EFEA Cc1cc(C)c(C#N)c(N[C@H]2CCCN(C3CCN(C)CC3)C2)n1 72429600 MPRVFJDVMJHDBI-INIZCTEOSA-N 327.476 2.541 30 50 EFEA O=C([C@H]1CO1)N1CCC(COc2ccccc2C(F)(F)F)CC1 1875373128 UOGFZGIGTKNJOA-CQSZACIVSA-N 329.318 2.722 30 50 EFEA O=S(=O)(N/N=C/c1ccc(Br)cc1)c1ccccc1 439477 MHHOXIPBUUSOOX-XNTDXEJSSA-N 339.214 2.762 30 50 EFEA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2Cc1cc(C#N)n(C)c1C 1857673663 QOYFANNKFFSFOP-KVSKMBFKSA-N 329.444 2.901 30 50 EFEA C#CCCC1(CCC(=O)NC[C@H](c2ccccc2)n2cccn2)N=N1 2325892896 PAGKJDUNUVLHRZ-QGZVFWFLSA-N 335.411 2.944 30 50 EFEA C=CCN(Cc1ccccc1OC)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 55119775 QOZFVQSEZDCSLO-UHFFFAOYSA-N 337.379 2.693 30 50 EFEA O=[N+]([O-])c1ccc(O)c(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)c1 33837348 GQUPSAVNUQKTDF-CAOOACKPSA-N 349.310 2.566 30 50 EFEA CC(C)c1noc([C@@H]2CCCN(Cc3ccc(C#CCO)cc3)C2)n1 215908091 MLRMYSNJMKAHSX-GOSISDBHSA-N 339.439 2.916 30 50 EFEA C[C@@H]1Cc2c(C#N)cccc2N1C(=O)c1cc(C2CCOCC2)[nH]n1 1875330057 KYOBKVLCGCVWPR-GFCCVEGCSA-N 336.395 2.767 30 50 EFEA CN(CCN1CCCCCC1)C(=O)c1cccc(C#CC(C)(C)O)c1 952977325 QBBZAUBLJBMBNM-UHFFFAOYSA-N 342.483 2.757 30 50 EFEA CC[C@H](CC#N)NS(=O)(=O)c1cccc(C)c1Br 186431846 HTLRJMQRSHINRY-SNVBAGLBSA-N 331.235 2.728 30 50 EFEA N#C[C@H]1CCC[C@@H](Nc2ccc(F)c(N3CCCS3(=O)=O)c2)C1 252494263 NQCKRRGRRVTPQH-QWHCGFSZSA-N 337.420 2.860 30 50 EFEA CCn1ccnc1[C@H]1CCCCN1C(O)=Nc1cc(COC)ncn1 328587731 GEXZBNJQYDYXCT-CQSZACIVSA-N 344.419 2.612 30 50 EFEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)Nc2cc(C)ccn2)cn1 328631479 QZXWIMVSKYTSCT-GOEBONIOSA-N 329.404 2.853 30 50 EFEA COc1ccc2c(c1)sc(=N)n2CC(=O)Nc1cccc(C#N)c1 334157757 NOUSSDMBJUTAMY-UHFFFAOYSA-N 338.392 2.701 30 50 EFEA N#Cc1cnc2ccccc2c1N1CCN(CCc2ccccn2)CC1 130872860 PYLGPMLRARCVLJ-UHFFFAOYSA-N 343.434 2.866 30 50 EFEA C=C(C)COc1cccc(CN2CCCn3nc(CO)cc3C2)c1 217467569 RLDCOABKSPICKT-UHFFFAOYSA-N 327.428 2.736 30 50 EFEA C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)[C@H](O)CO 257346286 XNFSGLNHLVHCFT-MEBXZZOTSA-N 348.483 2.603 30 50 EFEA Cc1c(-c2cc(F)ccc2OC[C@H]2CCCO2)cn(C)c(=O)c1C#N 874434602 WYDASJDFRTXZAH-CQSZACIVSA-N 342.370 2.929 30 50 EFEA Cc1cn2c(n1)CC[C@@H](CN(C)c1ccc([N+](=O)[O-])cc1C#N)C2 1776006439 VXIQABNPGQFZQL-ZDUSSCGKSA-N 325.372 2.670 30 50 EFEA CC(C)(O)C#Cc1ccc(C(=O)NCCSc2ccccn2)cc1 1506397754 XFWSWHILYISGSD-UHFFFAOYSA-N 340.448 2.726 30 50 EFEA NS(=O)(=O)c1ccc(N/C=C/C(=O)c2ccc(Cl)s2)cc1 434092 ZZOVJDSPSQSMDJ-BQYQJAHWSA-N 342.829 2.857 30 50 EFEA C=CC[C@H](CC)NC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C 253427462 UGRQCDSDRAQSHR-RYRKJORJSA-N 330.476 2.946 30 50 EFEA C=CCN1CC[C@@H](N(C)C(=O)c2c(-c3cccs3)noc2C)C1=O 1120735259 WHPPITMDBQBXDH-GFCCVEGCSA-N 345.424 2.570 30 50 EFEA CN(Cc1cccc(Cl)c1)Cc1cc(O)n2ncc(C#N)c2n1 2325873738 RRUHEJNLTRXSQN-UHFFFAOYSA-N 327.775 2.592 30 50 EFEA NC(=S)N/N=C\c1cccn1-c1ccc(OC(F)(F)F)cc1 29763870 YCLZDTLGRFLMJO-LSCVHKIXSA-N 328.319 2.543 30 50 EFEA CN(C[C@H]1Cc2ccccc2O1)C(=O)c1cccc(C#CC(C)(C)O)c1 65422571 JORVIINBCCFUBW-LJQANCHMSA-N 349.430 2.885 30 50 EFEA C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(cc1O)OCO2 119891869 SXNBAXAYGGANDE-UHFFFAOYSA-N 336.347 2.821 30 50 EFEA N#Cc1c(NC(=O)CCn2ccc([N+](=O)[O-])n2)sc2c1CCCC2 2781415 JWKZBROPVGWQLT-UHFFFAOYSA-N 345.384 2.632 30 50 EFEA Cn1c(C#N)ccc1C(=O)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 450278133 PBMYVRKCHMHNQE-OAHLLOKOSA-N 339.370 2.913 30 50 EFEA C[C@H](c1nc(C2CC2)no1)N1CC[C@@H](CNc2ncccc2C#N)C1 222203262 FCANELVTWRYIEO-OLZOCXBDSA-N 338.415 2.709 30 50 EFEA C#CCN1CCC(NCCCc2nc3ccc(Cl)cc3[nH]2)CC1 820365105 YBRDVUXHUZVYBU-UHFFFAOYSA-N 330.863 2.836 30 50 EFEA N#C[C@H]1N(Cc2ncnn2-c2ccccc2)CCC[C@]12CCCCO2 240278312 DQJSTNGEAUBVDN-IEBWSBKVSA-N 337.427 2.695 30 50 EFEA O=c1c2ccccc2ccn1C/C(O)=N/[C@@H]1Cc2ccccc2[C@@H]1O 328588095 SVAKJUBBANSCGG-MJGOQNOKSA-N 334.375 2.616 30 50 EFEA Cc1ccc(C(=O)NC[C@@H]2CCN(Cc3ccccc3C#N)C2)cn1 67673047 BMVRHPDIZCSZDH-INIZCTEOSA-N 334.423 2.514 30 50 EFEA COc1cccc(-n2cc(CN(C)c3ccnc(OC)c3C#N)cn2)c1 77457389 QFSOGPBNCXWSOY-UHFFFAOYSA-N 349.394 2.793 30 50 EFEA Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cn2ccccc2c1C#N 378333790 OLABOWGBAAKBME-GOSISDBHSA-N 335.411 2.724 30 50 EFEA N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H](c2ccnc(N)n2)C1 170616216 SDKSTTFINZBJKP-NSHDSACASA-N 348.332 2.728 30 50 EFEA C[C@@H](NCc1ccc(CC#N)cc1)c1cccc(NS(C)(=O)=O)c1 225452182 RWQYSGRANIEHRT-CQSZACIVSA-N 343.452 2.975 30 50 EFEA CN1CCC[C@](C)(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 225604654 VHQDNNQMFRWWAT-LJQANCHMSA-N 329.444 2.564 30 50 EFEA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Nc1cccc(C#N)c1C)CC2 187616464 MSGKOPSACYBLHF-SJORKVTESA-N 343.427 2.651 30 50 EFEA COc1cc(/C=N\N2CCN(c3ccccc3OC)CC2)ccc1O 15685200 BRNAGEXGPAEQKD-ZHZULCJRSA-N 341.411 2.566 30 50 EFEA CC[S@](=O)[C@@H]1CCC[C@H](/N=C(/O)Nc2ncc(OC)s2)C1 330489601 MCYYMWZKXXIFNQ-YRMIWKTRSA-N 331.463 2.557 30 50 EFEA C#CCCC1(CCNC(=O)c2cc(C)n([C@H]3CCOC3)c2C)N=N1 2325887501 XDDVCRIBSIKDBL-HNNXBMFYSA-N 328.416 2.762 30 50 EFEA O=C(OCC/N=C(/O)Cc1csc(-c2ccccn2)n1)C1CC1 328589789 DFSHEUGJFFURFF-UHFFFAOYSA-N 331.397 2.657 30 50 EFEA C[C@H]1CN(C(O)=Nc2ccccc2OC(F)F)C[C@@]2(CCOC2)O1 328587644 DRXYTVOACZAYAF-MEDUHNTESA-N 342.342 2.713 30 50 EFEA CC(C)(C#N)NC(=O)c1cnc(Br)c(Br)c1 311818667 YFUIKHZEMVPYIP-UHFFFAOYSA-N 347.010 2.639 30 50 EFEA CN([C@@](C)(C#N)C1CC1)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 252499939 SJODNMYEQIUQPH-AWEZNQCLSA-N 348.346 2.740 30 50 EFEA NC(=N/C(=O)Cn1c(Cl)ccc1Cl)/N=C(\O)c1ccccc1 71770919 QESGBEUCTVXANJ-UHFFFAOYSA-N 339.182 2.641 30 50 EFEA N#Cc1cccc(CNC(=O)N2CCO[C@H](c3ccsc3)C2)c1 160149919 ULSIJDOCAYJGNR-INIZCTEOSA-N 327.409 2.903 30 50 EFEA COC(=O)c1ccc(Br)cc1CN(C)[C@@H](C)CC#N 252509266 YIUPUYDRINGZGK-JTQLQIEISA-N 325.206 2.970 30 50 EFEA C=CCn1c(=O)c(C(=O)Nc2ccc(O)cc2)c(O)c2ccccc21 5685802 UWEJIMVECVLKGI-UHFFFAOYSA-N 336.347 2.851 30 50 EFEA Cc1noc([C@H](/N=C(/O)c2cc(C(C)C)on2)C2CCOCC2)n1 328614641 WMMXDPLCHUKDDO-CQSZACIVSA-N 334.376 2.962 30 50 EFEA N#Cc1cc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)ncn1 408514563 ROBTVWMKNONXBR-PKOBYXMFSA-N 333.439 2.839 30 50 EFEA C#CCCC1(CCNC(=O)CCCc2ccc3c(c2)CC(=O)N3)N=N1 2325890906 BRGQPRJFDCQXCM-UHFFFAOYSA-N 338.411 2.586 30 50 EFEA Cc1noc([C@H](/N=C(/O)c2cccc3c[nH]nc23)C2CCOCC2)n1 328611833 MUUCQPFBMHMVPX-OAHLLOKOSA-N 341.371 2.727 30 50 EFEA Cc1ccc(N=C(O)N2CCOC[C@H]2c2nnc(C(C)C)o2)c(C)n1 328627998 NHEYHUCNSLJAHQ-AWEZNQCLSA-N 345.403 2.824 30 50 EFEA Cc1nc[nH]c1-c1nccn1C1CCN(c2ncccc2C#N)CC1 77376279 OQOJJVYMNOZZOH-UHFFFAOYSA-N 333.399 2.690 30 50 EFEA O=C(C[C@H]1COCCN1C(=O)C#Cc1ccccc1)c1cccs1 151960623 MBWXSDNVPQOPBF-INIZCTEOSA-N 339.416 2.600 30 50 EFEA COc1cc(Br)ccc1C(=O)N1CCSC[C@@H]1C#N 271683764 CMFMCCJPMXTVTB-JTQLQIEISA-N 341.230 2.539 30 50 EFEA C#CCCC1(CCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)N=N1 952883333 VZEKUUPKKISBEB-UHFFFAOYSA-N 349.438 2.558 30 50 EFEA C#CCCC1(CCC(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)N=N1 952881830 QHGZNPAQKOLLHZ-LLVKDONJSA-N 331.338 2.910 30 50 EFEA C[C@@H](NCc1ccc(C#CCO)s1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952969388 NBEHBWNQYHCPSE-RIWOBZSASA-N 345.508 2.901 30 50 EFEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H](N)c1ccccc1 55402199 GVXDGLFEKNPSMK-GOSISDBHSA-N 348.406 2.951 30 50 EFEA C=CCn1c(=O)c(C(=O)NCCc2ccccc2)c(O)c2ccccc21 100485730 KEOHUBWCCPBWQV-UHFFFAOYSA-N 348.402 2.866 30 50 EFEA C=CCc1cc(C(=O)N2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)ccc1OC 299790415 BNSUHMTXTOTRRJ-IMFGXOCKSA-N 345.439 2.568 30 50 EFEA C=CCN1C[C@@H](C(=O)Nc2ccc3c(c2)cc(C)n3CC)CC1=O 952961114 LQNAKMRZHNYGRJ-HNNXBMFYSA-N 325.412 2.943 30 50 EFEA N#Cc1ccccc1CN1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 1565530906 QIJRVEYRDYRBLJ-MSOLQXFVSA-N 336.391 2.637 30 50 EFEA C#CCCC1(CCC(=O)Nc2nc(CCC(=O)OC)cs2)N=N1 2325892481 ORDLBSPFKBWDFY-UHFFFAOYSA-N 334.401 2.543 30 50 EFEA C=CCOc1ccc(C(=O)N2CCn3cncc3C2)cc1OCC 72144916 UWFDXNLNWPIVQY-UHFFFAOYSA-N 327.384 2.503 30 50 EFEA COc1cc2c(c(OC)c1OC)CCN(c1ccc(C#N)nc1)CC2 253429134 CARQCDIMRPLDBY-UHFFFAOYSA-N 339.395 2.584 30 50 EFEA N#Cc1cc(C(=O)N2CCN[C@H](c3cccc(F)c3)C2)ccc1F 375909115 FYCNXDWQKUPMMV-KRWDZBQOSA-N 327.334 2.623 30 50 EFEA C=C1[C@H]2CC[C@@]3([C@@H]([C@@H]2O)[C@@]24CCC[C@@]5(C)CN(CC)[C@H]2[C@@H]3C[C@H]45)[C@@H]1O 238809290 OVXLNQAYPUEDSI-DUBHBOHZSA-N 343.511 2.821 30 50 EFEA biogenic CO[C@@H]1C[C@H](/N=C(/O)N2C[C@@H](C#N)[C@H](c3ccccc3)C2)C1(C)C 330197705 SELQUWBVIDZJIV-LTIDMASMSA-N 327.428 2.953 30 50 EFEA N#Cc1ccc(N2CCC[C@@H]2Cn2cncn2)c(Br)c1 378307748 CFNBDEMXIGJBKM-GFCCVEGCSA-N 332.205 2.581 30 50 EFEA CC(C)n1cc([C@@H]2CN(c3ccc(F)cc3C#N)C[C@H]2CO)cn1 299741011 CVAAVSIMHHELMA-RDJZCZTQSA-N 328.391 2.687 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2CCN(c3ccccc3F)C2)N=N1 952880725 HQEOREJBENIMKY-AWEZNQCLSA-N 328.391 2.876 30 50 EFEA N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H](n4cccn4)C3)C2=O)cc1 222196096 NIAWOMIHSGPZAJ-MOPGFXCFSA-N 349.438 2.587 30 50 EFEA C#CCN1C(=O)S/C(=C/c2cc(CC=C)c(O)c(OC)c2)C1=O 1154733 GHYPHMPSTIWWBY-GXDHUFHOSA-N 329.377 2.799 30 50 EFEA O=[N+]([O-])c1cccc(/C(=N\O)Nc2nnc(-c3cccnc3)s2)c1 4560130 IIWHPZYOQUYGPO-UHFFFAOYSA-N 342.340 2.756 30 50 EFEA CCOC(=O)c1ccsc1N=C(O)CN1CCN(C)C[C@H]1CC 328595926 KMABPYNOWCDQHJ-GFCCVEGCSA-N 339.461 2.539 30 50 EFEA CCN(CC)Cc1ccc([N+](=O)[O-])cc1B1OC(C)(C)C(C)(C)O1 170008654 QQQFXUUULYKYFX-UHFFFAOYSA-N 334.225 2.736 30 50 EFEA CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2c(c1)ncn2CC 170008539 MCAKCFOSCCUGRD-UHFFFAOYSA-N 344.220 2.532 30 50 EFEA N#Cc1ccccc1OCC(=O)N1CC[C@H](n2ncc3ccccc32)C1 378581618 UFEMPRWSWIWUAT-KRWDZBQOSA-N 346.390 2.760 30 50 EFEA C=C(C)COc1ccc(NC(=O)N[C@@H](C(=O)N(C)C)C(C)C)cc1 299774374 HJZSYBFUISHVRE-MRXNPFEDSA-N 333.432 2.876 30 50 EFEA COc1cccc(OC)c1S(=O)(=O)Nc1ccc(C#N)cc1F 187031174 LOHUOLSXFPEKTP-UHFFFAOYSA-N 336.344 2.515 30 50 EFEA CC[C@@H](Oc1ccccc1)C(=O)O/N=C(\N)c1ccc([N+](=O)[O-])cc1 4985805 XTELUXQGHYWCDN-OAHLLOKOSA-N 343.339 2.616 30 50 EFEA N#Cc1ccc(CCC(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1 348254818 GDXNLZVZCBTALP-OALUTQOASA-N 338.382 2.964 30 50 EFEA CC/C(Nc1ccccc1O)=C1/C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 100157759 VJNKLXMFIFUFRL-RBFDBLARSA-N 345.395 2.826 30 50 EFEA C#C[C@@H](NC(=O)Nc1ccc(F)cc1OCC1CC1)[C@H]1CCOC1 252507874 WVQVCSZJJZBPGG-DZGCQCFKSA-N 332.375 2.774 30 50 EFEA Cc1c(C(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)cnc(O)c1C#N 77456213 MFZDFLAYUYUNTI-OAHLLOKOSA-N 349.390 2.702 30 50 EFEA CC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 257355838 CXDWHYOBSJTRJU-WZGFBNHNSA-N 346.467 2.809 30 50 EFEA CC1(C)CC(=O)C([C@@H](c2cccnc2)[C@H](C#N)C(N)=S)=C(O)C1 406181 SPHUESUBWCXKME-FZMZJTMJSA-N 329.425 2.792 30 50 EFEA CCCC(=O)ON1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 619956 AYCKLJLOODOQMO-UHFFFAOYSA-N 328.280 2.602 30 50 EFEA C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCCC)cc1 4113533 BGUNCDJDWLHIPF-INIZCTEOSA-N 330.384 2.833 30 50 EFEA Cc1cc(C)c(C#N)c(N2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)n1 72133111 POBTWFHGAKRATE-INIZCTEOSA-N 334.423 2.738 30 50 EFEA CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 287402962 SZOQSZMEYGYKKF-ZOWXZIJZSA-N 335.429 2.682 30 50 EFEA CC[C@H](CC#N)NC(=O)c1cc2nc(Br)sc2[nH]1 1776006301 OGSQLVUSEPTXDZ-ZCFIWIBFSA-N 327.207 2.809 30 50 EFEA Cc1ccn(CC(=O)c2ccc(NC(=O)C(C)C)cc2)c(=O)c1C#N 170596977 ADACLSKYCKWSGK-UHFFFAOYSA-N 337.379 2.506 30 50 EFEA COc1ccc(/C(N)=N/OC(=O)COc2ccc(C)cc2C)cc1 5047941 WGROKIZFKONHDY-UHFFFAOYSA-N 328.368 2.555 30 50 EFEA CC/N=C(/O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 328586328 ZMEJPNRNWPMEQT-UHFFFAOYSA-N 346.349 2.889 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1F 25694909 KTOOEGIFGWWUON-MRXNPFEDSA-N 344.386 2.998 30 50 EFEA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2ccccc2C(C)(C)C#N)C1 284480162 BUZWVSDVGMKZES-ZBFHGGJFSA-N 325.416 2.568 30 50 EFEA N#Cc1cccc(CN2C(=O)C3(CCNCC3)Nc3ccccc32)c1 82100262 ZSIUFAQRFUHRDK-UHFFFAOYSA-N 332.407 2.639 30 50 EFEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)c2c(OC)ccc(F)c2F)C1 91435212 SDUOMPQNLJDAIV-QGZVFWFLSA-N 339.338 2.857 30 50 EFEA C=CCNC(=O)CC12CC3CC(C1)CC(CC(=O)NCC=C)(C3)C2 5061095 SQAPTCJEHXAHJC-UHFFFAOYSA-N 330.472 2.958 30 50 EFEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2C(=O)Nc1ccc(F)c(F)c1 12384437 IZGLWCWPQNCQEF-JTQLQIEISA-N 348.349 2.683 30 50 EFEA Cc1ncsc1N=C(O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1 329443168 BUFXUTFURNVONX-KBPBESRZSA-N 331.397 2.638 30 50 EFEA Cc1noc(C[C@H](/N=C(/O)N2CCCO[C@@H](C)C2)c2ccccc2)n1 330261343 UFDMGFCBIDSQBY-BBRMVZONSA-N 344.415 2.687 30 50 EFEA C=CCOc1ccccc1C(=O)N1CCN(CC(F)(F)F)CC1 45056674 SZBMQSYSGSYXEQ-UHFFFAOYSA-N 328.334 2.572 30 50 EFEA C[C@H](CNC(=O)N1CCO[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 191103651 TUDPWSYWDBPVOT-BXUZGUMPSA-N 341.333 2.743 30 50 EFEA C#CCCC1(CCC(=O)N2C[C@H](OC)C[C@H]2c2nc(C)c(C)[nH]2)N=N1 2325892273 HCKHZCKIRSJAQQ-CABCVRRESA-N 343.431 2.671 30 50 EFEA O/C(CCc1ccoc1)=N/C[C@@H]1C[C@H](F)CN1Cc1cncnc1 328638178 PAJLSXOEGCJCEO-HOTGVXAUSA-N 332.379 2.571 30 50 EFEA CCN(CC(=O)O)C1CC(/N=C(/O)c2ccc(F)c(Cl)c2)C1 328655978 YWMGVARRYUKQJL-UHFFFAOYSA-N 328.771 2.721 30 50 EFEA CCc1cc(-c2cc(-c3c(C)nn(CC)c3C)nc(N)c2C#N)[nH]n1 71738745 LESHPPZMDOBYPV-UHFFFAOYSA-N 335.415 2.988 30 50 EFEA N#Cc1cnc2ccccc2c1NCCNC(=O)c1ccc(O)cc1 301499689 DEHLLOUKHSJACR-UHFFFAOYSA-N 332.363 2.654 30 50 EFEA Cc1ncsc1CN(C)C[C@H]1CCN(c2ccc(C#N)nc2)C1 225603304 XXVDXXGGSUWBQU-CQSZACIVSA-N 327.457 2.677 30 50 EFEA C=CCn1c(SCC(N)=O)nnc1-c1csc2ccccc12 12379117 CJCJGHAQSCUGPJ-UHFFFAOYSA-N 330.438 2.923 30 50 EFEA COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 19911975 XIJNKSNOHTVHTR-INIZCTEOSA-N 326.396 2.859 30 50 EFEA C=CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccccc1O 2858608 YVOHXGBKFMVTBH-UHFFFAOYSA-N 344.440 2.551 30 50 EFEA C[C@H](CO[C@H]1CCOC1)Nc1ccc(C#N)cc1Br 120062802 OSJIZBFAVZKUQB-PWSUYJOCSA-N 325.206 2.927 30 50 EFEA CN(Cc1ccccc1C#N)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 284945834 VPQSODMWIPUZNS-AZUAARDMSA-N 337.471 2.807 30 50 EFEA CCC[C@@H]1C[C@H]1NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 287402950 SZOQSZMEYGYKKF-LALPHHSUSA-N 335.429 2.682 30 50 EFEA CN1CCC[C@H]1CCNC(=O)c1ccc(-c2cc(C#N)ccn2)cc1 426628264 NFHXDLQCTYKUNV-SFHVURJKSA-N 334.423 2.834 30 50 EFEA Cc1nc(-c2cccc(NC(=O)N[C@H]3CCCN(O)C3=O)c2)cs1 1875269400 QYKKWNOBQJOUMJ-ZDUSSCGKSA-N 346.412 2.620 30 50 EFEA CN(CCNC(=O)c1cccc(C#CC(C)(C)O)c1)c1ccccc1 952968681 KZEPYEXRGDUAKW-UHFFFAOYSA-N 336.435 2.675 30 50 EFEA N#Cc1ccccc1OCC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 171464094 OCLRFOZHKCPCOS-AZUAARDMSA-N 336.391 2.974 30 50 EFEA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccccc1Oc1ccccc1C#N 281688770 DPNQZMLMGBJCKM-XJKSGUPXSA-N 349.390 2.747 30 50 EFEA CCO[C@@H]1C[C@H](/N=C(/O)N2CCC(c3ncc[nH]3)CC2)C12CCC2 329806515 NYXHGALTUCFKBA-LSDHHAIUSA-N 332.448 2.851 30 50 EFEA Cc1c(Cl)cnc(N[C@@H]2CCCN(c3cccnc3)C2=O)c1C#N 253426413 GZCYOHUPNORTKS-OAHLLOKOSA-N 341.802 2.918 30 50 EFEA C=CCC[C@@H](CO)NC(=O)c1cc(OC)ccc1Br 315981283 ZTCIFVNRHHXAEK-JTQLQIEISA-N 328.206 2.515 30 50 EFEA O=C(O)C[C@@H]1S/C(=N/N=C/c2ccco2)N(c2ccccc2)C1=O 4189026 IYIYQTSVISWHQU-XLLHKAGKSA-N 343.364 2.593 30 50 EFEA C#CCCC1(CCC(=O)Nc2cc(C)c(C(=O)OC)c(C)n2)N=N1 2325892958 WPAVTTYPTCRJCB-UHFFFAOYSA-N 328.372 2.779 30 50 EFEA CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)c(C#N)c2)cc1C#N 192429 XMSPEXRXKHAXLL-UHFFFAOYSA-N 332.363 2.938 30 50 EFEA CSc1cccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)c1 4384528 VARATVWJCPASQJ-UHFFFAOYSA-N 327.409 2.697 30 50 EFEA CCOC(=O)Oc1c(I)cc(C#N)cc1OC 6702654 ISYYGEFCECCFSU-UHFFFAOYSA-N 347.108 2.707 30 50 EFEA CCOc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC(C)(C)C 170004421 KYQVAZVBWDGYTN-UHFFFAOYSA-N 347.264 2.913 30 50 EFEA CCOc1ccc(CCCn2ccc3[nH]c(=O)c(C#N)cc3c2=O)cc1 67739726 AQQYBJGGKOTDKN-UHFFFAOYSA-N 349.390 2.593 30 50 EFEA CC(C)CCOc1ccc(S(=O)(=O)Nc2nn(C)cc2C#N)cc1 123339509 IVTXBSBMLNKPFP-UHFFFAOYSA-N 348.428 2.517 30 50 EFEA C#CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3C)cc1OCC 72119441 DMTZYTPMIGVOJS-CQSZACIVSA-N 339.395 2.613 30 50 EFEA Cc1ccc(C#N)c(N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)n1 71524322 WHQMPPXZWUQQAL-QGZVFWFLSA-N 326.444 2.735 30 50 EFEA CC(C)=NO[C@]1(c2ccccc2)OC(=N)[C@]2(C#N)C(C#N)(C#N)[C@@]12C 230094928 AZSRYZCKCCBBQT-NJAFHUGGSA-N 333.351 2.823 30 50 EFEA C=CC[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 91779623 RIJKALLYHJSVLB-OAHLLOKOSA-N 347.839 2.818 30 50 EFEA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)c1ncccc1C#N 275398784 AVMHBLFLQCTCEP-GJZGRUSLSA-N 345.447 2.767 30 50 EFEA CCCCc1c(C)nc(N/N=C/c2ccc(OC)c(OC)c2)[nH]c1=O 13548625 ILJSRSHBYVJSLF-YBFXNURJSA-N 344.415 2.884 30 50 EFEA COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl 196689 KUDASVLKGBNMLE-CYBMUJFWSA-N 333.771 2.804 30 50 EFEA CC(=O)[C@H](OC1=CC(=O)C[C@@H](c2ccccc2)C1)C(=O)OC(C)C 100161785 QEAFHWWVECLYFF-QAPCUYQASA-N 330.380 2.943 30 50 EFEA N#Cc1ccc(C(=O)NC[C@@H]2CCN(Cc3cccc(C#N)c3)C2)cc1 67818442 MMFYMZKSLDPIGD-IBGZPJMESA-N 344.418 2.682 30 50 EFEA N#C[C@H]1CCCN(C(=O)NCCc2nc3ccc(Cl)cc3[nH]2)C1 426434401 BKPRQGVPLQHGPZ-LLVKDONJSA-N 331.807 2.704 30 50 EFEA N#CCCN(C(=O)C[C@H]1CC2(CC2)CO1)c1ccc2c(c1)OCCO2 1875306798 PHOIDUVHAUKLQZ-HNNXBMFYSA-N 342.395 2.664 30 50 EFEA CC(C)N1CCC[C@@H](O/N=C/C(=O)Nc2ccccc2Cl)C1=O 170651778 MPTFCGGFWRSYGL-YFEUJDIGSA-N 337.807 2.680 30 50 EFEA COc1ccc(C(=O)[C@@]2(C)N(O)[C@@H](C)C(c3cccs3)=[N+]2[O-])cc1 4314844 TUHVFKNTNUSOMW-GTNSWQLSSA-N 346.408 2.749 30 50 EFEA Cc1cccc(OCCN2CCN(c3ncccc3C#N)CC2)c1C 65500811 ISXDIZSBLCQQEV-UHFFFAOYSA-N 336.439 2.771 30 50 EFEA Cc1[nH]c(-c2cc(-c3cccnc3)c(C#N)c(N)n2)c(C)c1C(=O)O 71762479 JMDFCZHQEOVKBT-UHFFFAOYSA-N 333.351 2.908 30 50 EFEA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1cccc(C#CC(C)(C)O)c1 217762452 BOEMXIIEBXWVCM-GFCCVEGCSA-N 325.412 2.640 30 50 EFEA Cn1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c2ccccc21 253390247 UPHRIRMXYZVLDE-WWLMHMGMSA-N 345.402 2.565 30 50 EFEA C#CCCC1(CCC(=O)N[C@H]2CCO[C@H](c3ccncc3)C2)N=N1 952882153 RVPKKWNUTSVOQD-HOTGVXAUSA-N 326.400 2.774 30 50 EFEA N#Cc1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12 390224 ULAAHIVDDHFWPT-UHFFFAOYSA-N 329.319 2.756 30 50 EFEA Cc1sc(NC(=O)c2ccccc2)c(/C=N\NC(N)=S)c1C 22018907 HTIFDANJRAZDHS-IUXPMGMMSA-N 332.454 2.784 30 50 EFEA C=CCc1ccccc1OCCN(C)C(=O)c1ccc2[nH]nnc2c1 55402742 WOVAOOPAIXXPAR-UHFFFAOYSA-N 336.395 2.837 30 50 EFEA C[C@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1cccnc1C#N 428261482 UOQYVIZWRJEDHD-SNVBAGLBSA-N 337.351 2.613 30 50 EFEA N#Cc1cccnc1N1CCC[C@@](CO)(Cc2ccccc2F)C1 67788318 IDYJSCYIKALHBP-LJQANCHMSA-N 325.387 2.914 30 50 EFEA COc1ccc([C@H]2OCC[C@@H]2NCc2ccc(C#N)c(OC)c2)cn1 284731503 MHLMDLWBKPWKQJ-QFBILLFUSA-N 339.395 2.590 30 50 EFEA CC(=O)c1cc(CN2CCN(c3ccccc3C#N)C(=O)C2)cs1 82128167 DDYBGKUYTPOKIK-UHFFFAOYSA-N 339.420 2.671 30 50 EFEA N#C[C@@H](NC(=O)c1ccc(-n2ccnn2)cc1)c1ccccc1Cl 179482959 CYWMTCRXCTUUTG-MRXNPFEDSA-N 337.770 2.915 30 50 EFEA CN(C)/C(N)=N/Cc1cc(Br)ccc1Br 187049931 ZRRDWRFGGIIQNR-UHFFFAOYSA-N 335.043 2.588 30 50 EFEA Cc1ncn(-c2ccc(NC(=O)C3CC4(CNC[C@@H]4C#N)C3)cc2)c1C 2325795627 PZTMIPOXZJUMQS-NGEICVOHSA-N 349.438 2.567 30 50 EFEA O=[N+]([O-])c1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)cc1 4976325 GGONYRPZLDZZLM-RQZCQDPDSA-N 333.311 2.860 30 50 EFEA CC1(C)OB(c2ccc(C(=O)NCC3CC3)c(Cl)c2)OC1(C)C 170008801 FGJNTCOUTGDBHK-UHFFFAOYSA-N 335.640 2.779 30 50 EFEA C#CC1(O)CCN(C(=O)Nc2ccccc2N2CCCCC2)CC1 877870912 HYSXCKZZAZXXQT-UHFFFAOYSA-N 327.428 2.669 30 50 EFEA N#Cc1c(NS(=O)(=O)c2cccnc2Cl)ccc2ncccc12 1875387966 HHOALQVAMYNGSU-UHFFFAOYSA-N 344.783 2.956 30 50 EFEA C=CCCC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F 408520749 VJAWPYNDJAHEJS-LLVKDONJSA-N 344.224 2.822 30 50 EFEA COc1ccc(/C=N\N2CCN(c3ccccc3)CC2)c(OC)c1 13942063 TXYBLSRLQGQPOI-HKWRFOASSA-N 325.412 2.860 30 50 EFEA N#Cc1c[nH]c(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)c1 1857706454 SNKVUJUGIBSJKG-UHFFFAOYSA-N 331.379 2.517 30 50 EFEA CC(C)(C)c1nc(C#N)c(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)o1 1857799517 HYRPROZKRRCTIZ-OLZOCXBDSA-N 338.411 2.629 30 50 EFEA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1 328954 MLYMKTVKXLXJMS-UHFFFAOYSA-N 329.381 2.512 30 50 EFEA CN([C@](C)(C#N)C1CC1)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 252499940 SJODNMYEQIUQPH-CQSZACIVSA-N 348.346 2.740 30 50 EFEA CC(C)Nc1sc(C(=O)c2ccc3c(c2)OCO3)c(N)c1C#N 35324587 VSVKXGFFYDIDDG-UHFFFAOYSA-N 329.381 2.982 30 50 EFEA N#CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 173978077 TXNRVRQUNHRSSX-UHFFFAOYSA-N 326.727 2.807 30 50 EFEA N#Cc1cccc(N2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)n1 72153510 MISKCELIOAPMEO-INIZCTEOSA-N 336.395 2.805 30 50 EFEA CCOC(=O)c1ccnc(Oc2cccc(F)c2C#N)c1[N+](=O)[O-] 133521893 IDIFLOGHFMTLKY-UHFFFAOYSA-N 331.259 2.970 30 50 EFEA N#Cc1ccccc1OCCN1CC[C@@]2(C1)C(=O)Nc1ccccc12 375318046 HGTPGZXELLDOEV-FQEVSTJZSA-N 333.391 2.533 30 50 EFEA C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@@]2(C)[C@H](C(=O)CO)CC[C@H]12 253537545 OMFXVFTZEKFJBZ-DNWZOHJTSA-N 346.467 2.667 30 50 EFEA CCCN1CCN(C(=O)c2cc(C#N)cn2C)c2cc(F)ccc21 170608958 PASXCWPHCBMXRP-UHFFFAOYSA-N 326.375 2.913 30 50 EFEA Cc1cccc(C[C@H]2S/C(=N/N=C/c3ccc(O)cc3)NC2=O)c1 5006067 QFLKASKIAZKZEY-YDDPGSGASA-N 339.420 2.865 30 50 EFEA Cc1csc(C2=C(N)N(CCc3ccc(Cl)cc3)CC2=O)n1 13692459 VVLXZJITWOPKCI-UHFFFAOYSA-N 333.844 2.860 30 50 EFEA CNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(OC)c(F)c1 408515673 UQRHUDHECFAEEN-UHFFFAOYSA-N 335.360 2.548 30 50 EFEA C=CCN1CC[C@@H](N[C@H](C(=O)Nc2ccccc2)c2ccccc2)C1=O 252509736 YUNWVFIQIZNGLP-MOPGFXCFSA-N 349.434 2.743 30 50 EFEA N#CCCCN1C(=O)[C@](O)(CC(=O)c2ccccc2)c2ccccc21 4166005 UTQUPUOOAPHMDU-FQEVSTJZSA-N 334.375 2.798 30 50 EFEA C=CCn1cc(CNCCc2nc(C)cc(C(F)(F)F)n2)c(C)n1 55344165 UVWWABMJTGNZCE-UHFFFAOYSA-N 339.365 2.827 30 50 EFEA CC[C@@H](C#N)NC(=O)c1cccc(I)c1C 151930000 XRVUBXNRIXVXFS-VIFPVBQESA-N 328.153 2.632 30 50 EFEA C=CCN(Cc1ccccc1OC)C(=O)CSCc1nc(C)no1 55370689 FDPSXHMDEAJMLS-UHFFFAOYSA-N 347.440 2.835 30 50 EFEA Cc1ccncc1N=C(O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328635985 VGDFHCHFYVMONE-WMZOPIPTSA-N 339.443 2.955 30 50 EFEA COc1ccc(OC)c(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2)c1 71765286 YHWFWGXEYPLISO-IINYFYTJSA-N 336.395 2.569 30 50 EFEA N#C[C@]12C(=O)N=C(O)[C@]1(C#N)C1c3ccccc3C2c2ccccc21 45070488 HDEMPJHKOPJMTG-PNGKTBNWSA-N 325.327 2.794 30 50 EFEA Cc1c(C(C)C)[nH][nH]c1=NC(=O)c1ccc(N2CCCC2)c(C#N)c1 1875266654 JIKYURDOXAMGPB-UHFFFAOYSA-N 337.427 2.988 30 50 EFEA CC#CCN1CCC2(CC1)C[C@H](O)c1nn(C3CCCC3)cc1O2 1875395572 FJKPOAAIBPCFAX-INIZCTEOSA-N 329.444 2.672 30 50 EFEA CC1(C)OB([C@@H]2CCN(C(=O)NCCc3cccnc3)C2)OC1(C)C 1776007555 LDQPSYILSQZTLH-OAHLLOKOSA-N 345.252 2.502 30 50 EFEA Cc1cc(C)cc(OCC(=O)N2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 278527861 DPXYXWVRFDZRAO-QZTJIDSGSA-N 341.455 2.519 30 50 EFEA COc1cccc([C@H]2[C@@H](NC(=O)C(C)(C)C#N)CCN2C2CC2)c1 222191832 AENKPMIPWXLKPA-IRXDYDNUSA-N 327.428 2.639 30 50 EFEA C#CCN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O 12342654 UMLIGMGUAFOCLW-YRNVUSSQSA-N 338.182 2.824 30 50 EFEA N#Cc1cccc(N[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)n1 72161768 SBVHMFABDAWONC-AWEZNQCLSA-N 326.787 2.820 30 50 EFEA Cc1cc(C#N)nc(N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)n1 285173469 VBAIKJUYSYXIOS-CABCVRRESA-N 348.328 2.988 30 50 EFEA N#Cc1ccc(-n2cccc2-c2c(C#N)c(N)nc3c2CNCC3)cc1 72157398 SWYYMKAMBGUKOC-UHFFFAOYSA-N 340.390 2.511 30 50 EFEA Cc1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2O)cc1C 17071058 NWACVUPBRMDZEN-MFOYZWKCSA-N 338.816 2.975 30 50 EFEA CC(C)(C)OC(=O)N1CCC[C@@](C#N)(c2nc(CC3CC3)no2)C1 1875290854 FPUNNKKZHAGLMH-KRWDZBQOSA-N 332.404 2.814 30 50 EFEA C#CCCC1(CCC(=O)N[C@H](C)c2c(OC)nsc2OC)N=N1 1875381946 LZZJPWJCGVZGOE-SNVBAGLBSA-N 336.417 2.693 30 50 EFEA Cc1ccc([C@H]2C[C@@H]2C(=O)NC2(C#N)CCC3(CC2)OCCO3)s1 169979428 ILJDPTPQNSXLGS-KBPBESRZSA-N 346.452 2.856 30 50 EFEA Cc1cccc(C)c1NC(=O)CSc1nc(N)c(C#N)cc1C#N 19809897 LEHWTZFTULJOCR-UHFFFAOYSA-N 337.408 2.755 30 50 EFEA CCOc1cc(=O)n2c(c1C(=O)Nc1cccc(C#N)c1)CCCC2 169755658 NNINAGJRAYAMMP-UHFFFAOYSA-N 337.379 2.707 30 50 EFEA CCc1nnc([C@]23CCC[C@H]2CN(c2ncc(C#N)cc2F)C3)o1 912370005 UTYPUYSPKKJPDD-SJCJKPOMSA-N 327.363 2.596 30 50 EFEA COCc1cc(C)nc(SCC(=O)NCc2ccccc2)c1C#N 92809 LQLIKDGHYQKOID-UHFFFAOYSA-N 341.436 2.817 30 50 EFEA C=C(C)C[C@@H]1N(c2ccccc2F)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 207853 VSBXQTUZEZYYDS-NTODXPRQSA-N 343.354 2.532 30 50 EFEA COc1ccc(C(=O)/C=C/c2c(Cl)cnn2C)cc1CC(=O)O 122645699 RPFTWTAYJXCRFP-SNAWJCMRSA-N 334.759 2.605 30 50 EFEA N/C(=N\OC(=O)Cc1ccccc1)c1ccc(Br)cc1 4819101 PTYBIHWLGIWXPU-UHFFFAOYSA-N 333.185 2.855 30 50 EFEA C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CC(=O)NC1(C#N)CCCC1 229635111 SFJACAHCMHXUCA-MDZRGWNJSA-N 341.455 2.789 30 50 EFEA C=C(CNS(=O)(=O)c1ccc(C(=O)O)c(F)c1)c1ccccc1 352191694 HTWSHZCFIKTOAX-UHFFFAOYSA-N 335.356 2.516 30 50 EFEA N#Cc1c(-c2ccccc2)nc(-c2cccnc2)nc1N1CCOCC1 1393405 HORSLSDSHRJGDD-UHFFFAOYSA-N 343.390 2.914 30 50 EFEA N#Cc1cccc(S(=O)(=O)Nc2cncnc2-c2ccccc2)c1 253419130 IUVMQENQTLFNHH-UHFFFAOYSA-N 336.376 2.816 30 50 EFEA C=CCc1cc(CN2CC[C@]3(OC)CC[C@H](O)C[C@H]23)ccc1OC 299761754 AFGRSGZVUAVGDI-YSIASYRMSA-N 331.456 2.928 30 50 EFEA N#Cc1cc(CN2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)ccn1 952851337 IRHCGMOCSHQKJQ-SJORKVTESA-N 334.427 2.574 30 50 EFEA CS(=O)(=O)C1CCC(/N=C(/O)N[C@@H]2C[C@H]2C2CCCCC2)CC1 328588526 RZGKOZUDVLOFGS-SSHXOBKSSA-N 342.505 2.815 30 50 EFEA C#CCCC1(CCC(=O)N2CC[C@@H]3C[C@H](C(=O)O)CC[C@@H]3C2)N=N1 2325901035 QYDKYFXGLPZHGL-RBSFLKMASA-N 331.416 2.692 30 50 EFEA CCCC(=O)C1=C(N2CCCCC2)CC(C)(C)[C@H](C(=O)OC)C1=O 287168 KPXMINXTRXIWEN-INIZCTEOSA-N 335.444 2.884 30 50 EFEA CCN(CC)CC[C@H](CO)/N=C(/O)[C@H](C)Oc1ccc(OC)cc1 328591372 SAWLCVDBZKAPTN-LSDHHAIUSA-N 338.448 2.512 30 50 EFEA CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2c1cnc(C#N)cn1 129162467 FVLAPZZBHIYOKO-JWTNVVGKSA-N 347.422 2.620 30 50 EFEA Cc1ccc(C)c([C@H]2CCCN2S(=O)(=O)N(C)C[C@@H](C)C#N)c1 240934438 JCBRLFHNRVNWPC-WMLDXEAASA-N 335.473 2.777 30 50 EFEA Cc1ccc(C#N)c(N2CCC[C@H](Cc3nnc4ccccn34)C2)n1 372002413 GUHRXTQVRKYEJG-OAHLLOKOSA-N 332.411 2.764 30 50 EFEA N#Cc1c[nH]c(C(=O)N2CCc3cccc(Br)c3C2)c1 175714674 BEFLOKCPCMFJBW-UHFFFAOYSA-N 330.185 2.847 30 50 EFEA Cc1ccc2oc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)cc2n1 179000280 WDHXIMGNDIEAKW-GFCCVEGCSA-N 335.367 2.944 30 50 EFEA COCc1cccc(S(=O)(=O)Nc2cc(C#N)c(Cl)cn2)c1 1875316897 HOLDHDZTEMCDFI-UHFFFAOYSA-N 337.788 2.554 30 50 EFEA C[C@@H](CC#N)N(C)C(=O)c1csc(=Nc2cc(F)cc(F)c2)[nH]1 450063295 UJAXHHYRLZLIOQ-VIFPVBQESA-N 336.367 2.961 30 50 EFEA O=S(=O)(N/N=C(/c1ccccc1)c1ccncc1)c1ccccc1 4954640 YODPGYYIKDAKTI-ZZEZOPTASA-N 337.404 2.813 30 50 EFEA Cn1c([C@H](C#N)C(=O)c2ccc3c(c2)CCC(=O)N3)nc2ccccc21 122187499 ATEYOJLPGXPVSW-CQSZACIVSA-N 344.374 2.948 30 50 EFEA O/C(=N/Cc1ccc(OC2CCCC2)nc1)N[C@@H]1CCO[C@H]1C1CC1 328586234 MWRCCKAIHOQVQK-AEFFLSMTSA-N 345.443 2.974 30 50 EFEA C[C@@H]1CCc2c(sc(NC(=O)CN3C[C@@H](C)O[C@H](C)C3)c2C#N)C1 33783823 NGUCHHJHPKUYRS-JHJVBQTASA-N 347.484 2.792 30 50 EFEA C=C(C)CN(CC)C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 154687641 FIGDMNABRIBNJL-UHFFFAOYSA-N 336.260 2.745 30 50 EFEA Cc1c(Cl)cnc(N2CCC([C@H](O)c3ncc[nH]3)CC2)c1C#N 365055847 NRNWXHPYGMUBNF-AWEZNQCLSA-N 331.807 2.588 30 50 EFEA Cc1nc(C(=O)N2Cc3ccccc3[C@H](n3cccn3)C2)ccc1C#N 364596527 VEDXDSPSEMLZGW-LJQANCHMSA-N 343.390 2.704 30 50 EFEA CO[C@@H]1C[C@@H](COc2cccnc2)N(c2c(F)cc(C#N)cc2F)C1 886048129 YAXOYCICFASVOH-DZGCQCFKSA-N 345.349 2.904 30 50 EFEA CCO[C@H]1C[C@H](O)C12CCN(C(=O)Nc1cccc(C#N)c1C)CC2 187616428 MSGKOPSACYBLHF-IRXDYDNUSA-N 343.427 2.651 30 50 EFEA CC(C)CCN1CCC(C/N=C(/O)N[C@@H]2CCc3c[nH]nc3C2)CC1 328588074 PTHPSVBUJHYREW-QGZVFWFLSA-N 347.507 2.529 30 50 EFEA C#CCCC1(CCC(=O)Nc2cc3c[nH]nc3cc2C(=O)OC)N=N1 2325894723 KPAPNGPBYWRRKE-UHFFFAOYSA-N 339.355 2.644 30 50 EFEA CC(=O)N1CCCN(c2ccc(F)cc2N/C(O)=N/[C@@H]2C[C@@H]2C)CC1 328587743 GOOMGVLWADSSAC-SWLSCSKDSA-N 348.422 2.619 30 50 EFEA C=CCn1cc(CNC[C@]2(c3ccc(F)cc3)CCOC2)c(C)n1 55199984 RJGZGCKKKINRQV-LJQANCHMSA-N 329.419 2.965 30 50 EFEA CCn1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cn1 20606627 RMADKVWDSJZMPE-MRXNPFEDSA-N 343.427 2.680 30 50 EFEA CC[C@@H](C#N)C(=O)NCc1ccc(-n2cc(C(C)(C)C)nn2)cc1 1875323238 CEQPKUMGVXZFFI-AWEZNQCLSA-N 325.416 2.731 30 50 EFEA C/C(=N\N1CCN(c2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 5369890 BOVGZURAPAKBLH-XMHGGMMESA-N 325.372 2.536 30 50 EFEA C#CCCC1(CCNC(=O)c2csc(-c3ccccn3)n2)N=N1 2325891033 MJAKPSKUUKCDOO-UHFFFAOYSA-N 325.397 2.901 30 50 EFEA Cc1conc1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 242001074 VCTOTAQPZIYATA-UHFFFAOYSA-N 331.275 2.674 30 50 EFEA COC(=O)[C@@H](c1cccc(C#N)c1)N(C)CC[C@H]1CCCCN1C 242183861 XCMUOPFVLYBORR-QZTJIDSGSA-N 329.444 2.579 30 50 EFEA Cc1cc(C)n([C@H]2CCCN(Cc3cnc4ccc(C#N)cn34)C2)n1 371415939 DQYKKURTKBOZFJ-KRWDZBQOSA-N 334.427 2.856 30 50 EFEA COCc1n[nH]c([C@H]2CCCCN2Cc2ccc(F)c(C#N)c2)n1 289021942 GHXFDXQZUICLGK-OAHLLOKOSA-N 329.379 2.689 30 50 EFEA COc1ccc(/C=N/N2CCN(c3ccccc3)CC2)c(OC)c1 136471 TXYBLSRLQGQPOI-HMMYKYKNSA-N 325.412 2.860 30 50 EFEA CCc1nnsc1/C(O)=N/[C@H]1CCCO[C@@H]1c1cnn(CC)c1 328628186 NLZSHSJBIMBELH-QWHCGFSZSA-N 335.433 2.542 30 50 EFEA CC(C)(C#N)CNC(=O)c1csc(=Nc2cc(F)cc(F)c2)[nH]1 450523011 CCYUTSHXUVRNKE-UHFFFAOYSA-N 336.367 2.866 30 50 EFEA CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(Cc2cccc(C#N)c2)C1 339081490 ICQPXFDPROKMLD-HUUCEWRRSA-N 325.334 2.590 30 50 EFEA CC(C)CN(CC#Cc1ccccc1)C(=O)[C@@H](N)Cc1cscn1 55133493 IPNVXTPWMGJDNM-SFHVURJKSA-N 341.480 2.549 30 50 EFEA CN1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 328849424 UDSQEIYFHIOXRQ-FQEVSTJZSA-N 346.434 2.616 30 50 EFEA C/C(=N/NS(=O)(=O)c1ccc(CC(C)C)cc1)c1ccncc1 15934498 KBRUOTAHMOAKKJ-RGEXLXHISA-N 331.441 2.983 30 50 EFEA N#CCSCC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 181002921 JFBWOEJFVPJBLS-GXTWGEPZSA-N 328.796 2.682 30 50 EFEA Cn1cc(CNc2ccccc2CC(N)=O)c(-c2ccc(C#N)cc2)n1 170593013 WAKWDAFUWDPSGJ-UHFFFAOYSA-N 345.406 2.599 30 50 EFEA C#CCCC1(CCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C[C@]3(C)C(=O)O)N=N1 2325900893 MYVFHRHLYUXWQN-CFAJVAMVSA-N 331.416 2.738 30 50 EFEA CN(C)c1ncc2c(n1)[C@]1(CCCN(Cc3cccc(C#N)c3)C1)CC2 2356143349 DJTKWOJMTGOJNA-OAQYLSRUSA-N 347.466 2.894 30 50 EFEA C=CCN(Cc1cccc(OCC)c1)C(=O)[C@@H](C)N1CCCC1=O 55271402 PTDYCJWTUZZGFV-OAHLLOKOSA-N 330.428 2.611 30 50 EFEA Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)c2ccc(F)cc2)n1 10338890 RYOCUNWRDOPXSU-UHFFFAOYSA-N 336.330 2.542 30 50 EFEA Cc1ncsc1CN(C)C[C@H]1CCN(/C(O)=N/C2CC=CC2)C1 328630916 JWFCYHFZNIWYRR-CQSZACIVSA-N 334.489 2.838 30 50 EFEA Cc1cc(Br)cc(C(=O)[C@@H](C#N)C(=O)c2nccn2C)c1 156224534 GJKKYUNAEJBRTN-GFCCVEGCSA-N 346.184 2.696 30 50 EFEA N#Cc1ccccc1-c1ccc(C(=O)NCCN2CCCOC2=O)cc1 426506828 OVRXIFBYYIPIDR-UHFFFAOYSA-N 349.390 2.797 30 50 EFEA C=CC[C@]1(C(=O)O)CCCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 91849080 ISBYWLIJOWYLEF-IBGZPJMESA-N 347.411 2.516 30 50 EFEA CCN(CCc1nc2ccccc2[nH]1)c1nc(C)c(C(=O)O)cc1C#N 1529114715 UCNSMPSXZDEGIR-UHFFFAOYSA-N 349.394 2.905 30 50 EFEA N#CC1(C#N)[C@H](c2ccccn2)O[C@@]23CCCC[C@H]2[C@@]1(C#N)C(=N)O3 208168964 OTQRLNCCPUJYEO-DFEHZGFQSA-N 333.351 2.590 30 50 EFEA N#CC1(CNC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)CCC1 333127049 AKVGUYNQVUXTSU-SQNIBIBYSA-N 339.439 2.894 30 50 EFEA CC[C@@H](CO)/N=C(/O)c1cc(C(C)(C)/N=C(/O)OC(C)(C)C)no1 328597045 CTQAAASBGLQDBU-JTQLQIEISA-N 341.408 2.714 30 50 EFEA CCN1CC[C@@H](NC(=O)C(C)(C)C#N)[C@H]1c1cc(F)c(F)c(F)c1 253370628 UBLWYIUMKXVTOK-UKRRQHHQSA-N 339.361 2.905 30 50 EFEA Cc1ccc(C#N)cc1NC(=O)c1cnn(CCN2CCCCC2)c1 377671458 UJIXZYYQNVSDSQ-UHFFFAOYSA-N 337.427 2.801 30 50 EFEA Cc1cc(C)c(C#N)c(N2CCC3(CC2)Nc2ccccc2NC3=O)n1 85533905 LQULIFNNGLNKHI-UHFFFAOYSA-N 347.422 2.973 30 50 EFEA CCc1cc(C2CC2)nc(NS(=O)(=O)c2cccc(C#N)c2)n1 195579797 BUQSSFFOUHYSDK-UHFFFAOYSA-N 328.397 2.589 30 50 EFEA C=C1[C@H]2CC[C@@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(CCC[C@@]4(C)CN(CC)[C@@H]15)[C@H]3[C@H]2O 238809292 OVXLNQAYPUEDSI-SZNFTCCFSA-N 343.511 2.821 30 50 EFEA biogenic C=CCn1c(=S)[nH]c2ccc(I)cc2c1=O 1244380 RLJDCUHXFZKGSU-UHFFFAOYSA-N 344.177 2.850 30 50 EFEA C=CCN(Cc1ccccc1C)C(=O)CCc1c(C)nc(=O)[nH]c1C 55060792 BFVBLXYLYKGQPY-UHFFFAOYSA-N 339.439 2.843 30 50 EFEA C/N=C1/S[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1C 13153490 RQNSMEBTBJWQAR-BPLQLKKBSA-N 345.346 2.594 30 50 EFEA C=CCN1CCN(C(=O)[C@H](C)Oc2cccc(C(F)(F)F)c2)CC1 20311792 UZCHQRRYJRMSAQ-ZDUSSCGKSA-N 342.361 2.803 30 50 EFEA CC(C)C#CC(=O)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 952894207 QQJGFENUAHSJDT-UHFFFAOYSA-N 327.359 2.635 30 50 EFEA C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 1776007504 HUARSFQCTVBSJU-ZIAGYGMSSA-N 346.236 2.544 30 50 EFEA Cc1ncc(S(=O)(=O)N2CCC[C@]3(CC=CCC3)C2)cc1C#N 408360902 ALGQZIKNTJMEIW-QGZVFWFLSA-N 331.441 2.773 30 50 EFEA C=CCC(=O)N(C)C[C@H]1CCCN(CCc2ccccc2OC)C1 12386401 PLCMHYZJIHLZLX-QGZVFWFLSA-N 330.472 2.984 30 50 EFEA N#Cc1cc(-c2nc(-c3ccc(OCC(F)F)nc3)no2)ccn1 346971426 ZJJZUWQRQKEJPA-UHFFFAOYSA-N 329.266 2.709 30 50 EFEA CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)CCCO1 332213134 HMMNVNPESNCFRI-AWEZNQCLSA-N 342.848 2.647 30 50 EFEA O=C(O)Cn1cc(/C=C/C(=O)c2cc(Cl)sc2Cl)nn1 134382944 WYMKPJRAWLAWJC-OWOJBTEDSA-N 332.168 2.627 30 50 EFEA N#Cc1c(SCc2ccccc2F)sc2c(O)[nH]c(=O)nc12 4987663 NBQKOJUSEBTVAZ-UHFFFAOYSA-N 333.369 2.993 30 50 EFEA CC/N=C1\S[C@H](CC(=O)Nc2cccc(C)c2C)C(=O)N1CC 100964596 GMZRKRVUKOWNLJ-MGPWXQLLSA-N 333.457 2.972 30 50 EFEA CCOc1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] 170005133 IQDITZHUUQBOKE-UHFFFAOYSA-N 327.573 2.946 30 50 EFEA Cc1cnccc1N1CCCN(Cc2cc(C#CCO)cs2)CC1 67879577 CMBQNAPQLBAKBG-UHFFFAOYSA-N 341.480 2.508 30 50 EFEA Cc1oc(C#N)cc1C(=O)N1CCCC[C@@H]1COC(=O)N1CCCC1 376381676 FRKXMQZUDFOQOC-CQSZACIVSA-N 345.399 2.687 30 50 EFEA CN1CC[C@@](C)(CNC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 426699938 MDMDGDJZMVGUGU-IBGZPJMESA-N 340.471 2.595 30 50 EFEA COC(=O)c1cc(C#CCN)ccc1NC(=O)OCc1ccccc1 96300339 SMZJIWJKOXSLEP-UHFFFAOYSA-N 338.363 2.532 30 50 EFEA N#C[C@@H]1CCC[C@@H]1S(=O)(=O)NCc1ccc(Br)s1 1775989181 GDNHRWKVFDHXHS-WPRPVWTQSA-N 349.275 2.622 30 50 EFEA N#Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)c[nH]1 225407214 BKWQOTPVZFWRQA-WFASDCNBSA-N 349.312 2.853 30 50 EFEA C=CCC(C)(C)CN1C[C@@H]2[C@H](CNC(=O)C3(C)CC3)[C@H]3CC[C@]2(C1)O3 1857718142 ANDPZDGJVSXDAM-BIZBXSGISA-N 346.515 2.984 30 50 EFEA