smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1nsc(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1C#N 376431860 BAZLLWOAMVKKSY-UHFFFAOYSA-N 374.417 2.910 30 50 FFEA C#CCCC1(CCC(=O)N2CCN(Cc3ccccc3OC)CC2)N=N1 952879640 GCEALHDTFWNRRZ-UHFFFAOYSA-N 354.454 2.695 30 50 FFEA Cc1ccccc1/C(O)=N/[C@@H](C(=O)N1CCC[C@H]2C(O)=NC[C@H]21)C(C)C 328586477 BJZMAYRRJYLGKU-BRWVUGGUSA-N 357.454 2.902 30 50 FFEA CCOc1cc([C@@H]2C3=C(CCCC3=O)Nc3nc(O)nc(O)c32)ccc1O 17821053 NCEUEJHVLLZFRA-CQSZACIVSA-N 369.377 2.557 30 50 FFEA Cc1nc2c([nH]1)[C@H](C(=O)N1CCO[C@H](c3ccc(C#N)cc3)C1)CCC2 2325806372 MALOMRCFSMSFPN-AEFFLSMTSA-N 350.422 2.610 30 50 FFEA N#Cc1ccc([C@H](O)CN2CCC(O)(Cc3cccc(F)c3)CC2)cc1 186919817 PTQUUUQINWHPHJ-HXUWFJFHSA-N 354.425 2.800 30 50 FFEA N/C(=N\OC(=O)c1cc(Br)ccc1Cl)c1ccccn1 5059847 CGXGAXMMGDPJML-UHFFFAOYSA-N 354.591 2.975 30 50 FFEA Cc1ccc(/C=N/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)o1 6862363 JJSQBDTWBFXSGZ-YFEUJDIGSA-N 356.407 2.538 30 50 FFEA CC1(C)CN(/C(O)=N/C2CCN(c3nccs3)CC2)[C@@H]1[C@@H]1CCCO1 329676525 UWQPHBVQXKELIO-LSDHHAIUSA-N 364.515 2.915 30 50 FFEA C[C@@H](NC(=O)N1CCCn2nc(C#N)cc2C1)c1nc2c(s1)CCCC2 584887205 ZMNCNNSEIUJORU-GFCCVEGCSA-N 370.482 2.767 30 50 FFEA CCc1noc([C@H](C)N2CCN(/C(O)=N/[C@@H]3C[C@H]3c3ccccc3)CC2)n1 330312551 WNVIMUDFVNUNFL-BHYGNILZSA-N 369.469 2.781 30 50 FFEA C/N=C1/S[C@@H](CC(=O)Nc2ccc(C)cc2Br)C(=O)N1C 16265633 CUZVFNJLVMZFFE-QPQCVSCISA-N 370.272 2.646 30 50 FFEA Cc1ccc(S(=O)(=O)CC#CCOC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2891850 XFUYNASYVIGKBI-UHFFFAOYSA-N 373.386 2.537 30 50 FFEA aggregator COc1cccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)c1 100801613 MYOUVIMNPAUVPN-UHFFFAOYSA-N 364.401 2.730 30 50 FFEA O=C(C#Cc1ccccc1)NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1 12452054 QLQAZUHMPSPNIR-IBGZPJMESA-N 355.397 2.615 30 50 FFEA C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2C)S1)c1ccco1 4980156 SGFNMJFWGNMZSQ-VRCTWVPOSA-N 370.434 2.928 30 50 FFEA C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCCN(c2ccccc2C#N)CC1 229690119 BOQMJLYQHDGKAH-IEBWSBKVSA-N 371.481 2.571 30 50 FFEA COC(=O)[C@H](NC(=O)CSc1nc(C)cc(C)c1C#N)c1ccccc1 6659331 VKWLLMQQFQGNHU-QGZVFWFLSA-N 369.446 2.693 30 50 FFEA Cc1cncc(N=C(O)N2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)c1 328648429 UNHDMNNRZRXUSI-MRXNPFEDSA-N 358.446 2.613 30 50 FFEA CCOc1ccccc1NC(=O)CSc1nc(N)c(C#N)cc1C#N 19830754 MYWRFFKONORMFJ-UHFFFAOYSA-N 353.407 2.537 30 50 FFEA Cc1c(C(=O)N(C)C)sc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C#N 669045 FCURHHJGEFBJEX-UHFFFAOYSA-N 358.379 2.791 30 50 FFEA CCCc1cc(N2CCN(Cc3ccccc3C#N)CC2)n2nccc2n1 72454511 JQFJWDBGXZUTTG-UHFFFAOYSA-N 360.465 2.876 30 50 FFEA Cc1cc(C)c(C#N)c(N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)n1 95512913 JRJSMSAHHQTDHM-GOEBONIOSA-N 367.478 2.654 30 50 FFEA N#Cc1cccc([C@H](C#CC2CCCCC2)N2CCN(CCO)CC2)c1 96132830 GJQCLLYQTNGSTK-QFIPXVFZSA-N 351.494 2.793 30 50 FFEA C=C(C)Cn1nc(C)c(CCC(=O)N[C@@H](CO)Cc2ccccc2)c1C 230211979 PBRMTBUIZXRAHK-LJQANCHMSA-N 355.482 2.728 30 50 FFEA N#Cc1ncccc1-c1cccc(C(=O)N2CCN(C3CCCC3)C(=O)C2)c1 299803111 XCMBNXVRGOYANC-UHFFFAOYSA-N 374.444 2.847 30 50 FFEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCC(F)(F)F)C2 14749385 YAGLUIPEVYXNGH-ZDUSSCGKSA-N 370.419 2.704 30 50 FFEA Cc1c([C@H]2OCC[C@@H]2Nc2nc(C(F)(F)F)ccc2C#N)cnn1C 431363429 KLKCPDIBUSBIBF-GXTWGEPZSA-N 351.332 2.956 30 50 FFEA Cc1c(C#N)c2ccccc2n1CC(=O)NCc1cccnc1-n1ccnc1 67975282 QRGYMIAEDAYZBZ-UHFFFAOYSA-N 370.416 2.719 30 50 FFEA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc(-c2ccc(F)c(C#N)c2)cc1 426412505 WDGWLBWMYZOGCH-PMACEKPBSA-N 367.424 2.813 30 50 FFEA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ccc(C#CCCO)cc1)C2 91409964 CBUXCFAMLFIMJA-FCHUYYIVSA-N 366.505 2.810 30 50 FFEA C=CCN1CC[C@H](CNC(=O)N2CCN(c3ccccc3Cl)CC2)C1 584887183 LXQDHZOIVSSHIM-MRXNPFEDSA-N 362.905 2.680 30 50 FFEA Cc1sc2nc(CCNCc3cc(C#N)n(C)c3C)nc(O)c2c1C 952869063 HLHFZJGJOXWPNL-UHFFFAOYSA-N 355.467 2.865 30 50 FFEA CN1CCC[C@@H](CNc2nc3c(cc2C#N)CCC3)[C@@H]1c1cncn1C 886034924 GZLRQGPCPXBLNN-HNAYVOBHSA-N 350.470 2.670 30 50 FFEA CC1(C)OB(c2cc(Br)nc(Br)c2)OC1(C)C 169935968 GGABMANFVFZXDF-UHFFFAOYSA-N 362.858 2.906 30 50 FFEA in-vitro C#CCOc1cccc(-c2noc([C@H]3CCCN(C(=O)C4CC4)C3)n2)c1 225592569 LAQVBJKSAWSFCT-INIZCTEOSA-N 351.406 2.865 30 50 FFEA CCN(CC)CCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Cl)cc1 19771721 SXWMXAMCCURCEG-MRXNPFEDSA-N 350.846 2.966 30 50 FFEA CCCCOc1ccc(S(=O)(=O)N/N=C2/C(=O)Nc3ccccc32)cc1 6359629 ORTOHVOUASXPMW-UHFFFAOYSA-N 373.434 2.500 30 50 FFEA Cc1nn(C)c2[nH]c(=NCc3cccc(CN4CCCC4)c3)c(C#N)cc12 2325775221 LHAVVKPEMDITHO-UHFFFAOYSA-N 360.465 2.778 30 50 FFEA C#CCOC(=O)c1ccccc1C(=O)Nc1ccc(C(=O)OCC)cc1 2913577 OJSPLPNFRQNILD-UHFFFAOYSA-N 351.358 2.906 30 50 FFEA CN1CCC[C@]2(CCN(C(=O)CC3=C(c4ccccc4)CCC3=O)C2)C1=O 91644610 LCHJNROTWSZEAM-JOCHJYFZSA-N 366.461 2.664 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)o1 1506431400 MVSYTVGUADVRPH-SFHVURJKSA-N 357.381 2.755 30 50 FFEA CCC#CCN1CCC2(CC1)CC(=O)N(CC[C@@H]1CC1(F)F)CCO2 1857692372 BKDIZYVRGGJNNQ-MRXNPFEDSA-N 354.441 2.529 30 50 FFEA C=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)NCC(C)C)nc2c1=O 72439690 HURWFTFETLLRCI-UHFFFAOYSA-N 368.412 2.874 30 50 FFEA O=[S@+]1(O)C[C@@H]2NC(=S)N(c3cc(C(F)(F)F)ccc3Cl)[C@H]2C1 334158401 MBECCIKFSULBET-WPRPVWTQSA-P 371.813 2.777 30 50 FFEA CO[C@@H](C)c1noc(CN2CCCN(c3cccc(F)c3C#N)CC2)n1 301582959 VGBMWWZMUZMGNB-ZDUSSCGKSA-N 359.405 2.500 30 50 FFEA C=CCc1cc(CN(CCO)Cc2cnc(C)[nH]2)cc(OCC)c1OC 1704326105 WYJPOSOGPRFHDL-UHFFFAOYSA-N 359.470 2.848 30 50 FFEA CC1(C)CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1[C@@H]1CCCO1 377920511 NKXXNFJVJSOROL-LSDHHAIUSA-N 354.859 2.790 30 50 FFEA CC(C)(C)C(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 170003045 VLLYMHNHSIZODO-UHFFFAOYSA-N 372.318 2.681 30 50 FFEA NC(=O)N1CCC[C@H](C(=O)N(CC#Cc2ccccc2)C2CCCC2)C1 65532834 MVNHCWJMCGPUFF-SFHVURJKSA-N 353.466 2.600 30 50 FFEA COc1ccc(OC)c([C@H]2O[C@@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@@H]3C)c1 226966242 AWPUFUSRPAOQJY-BFZPOMTKSA-N 366.377 2.678 30 50 FFEA O=C1c2ccccc2OC[C@@H]1/N=C(/O)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 328619442 VYFXFCMAEYFWPB-BTXBGFNFSA-N 355.312 2.943 30 50 FFEA N#Cc1cc(CN2CCC(CNC(=O)c3ccc(F)cc3F)CC2)c[nH]1 826756107 UEEAIDDIUSQEAE-UHFFFAOYSA-N 358.392 2.807 30 50 FFEA Cn1cc(C#N)cc1C(=O)N1CCC([C@H](O)CCc2ccccc2)CC1 952974084 YJSMHIBLNGJURH-HXUWFJFHSA-N 351.450 2.743 30 50 FFEA Cc1ccc(NC(=O)/C(=N/NC(N)=S)[C@@H](C#N)c2ccccc2)cc1C 5684150 AMXVHNALGLFVHS-RNWAHURQSA-N 365.462 2.739 30 50 FFEA CC1(C)OB([C@@H]2CCN(C(=O)NCCc3cccc(C#N)c3)C2)OC1(C)C 1875366728 FPUDAIULFQVEKU-QGZVFWFLSA-N 369.274 2.978 30 50 FFEA C=CCn1c(S[C@H]2CCOC2=O)nc2sc3c(c2c1=O)CCCC3 727911 CKJFQLCEMGIKTO-LBPRGKRZSA-N 362.476 2.930 30 50 FFEA C=CCNC(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O 2809790 OBYBEPNEJOKNOM-UHFFFAOYSA-N 350.418 2.908 30 50 FFEA CC(C)(O)C#Cc1ccccc1C(=O)N[C@@H](CC(=O)O)c1ccccc1 4697997 MVPFLELHOXSKAD-SFHVURJKSA-N 351.402 2.755 30 50 FFEA N#Cc1cc2c(=O)n(CCC3CCN(C4CCCC4)CC3)ccc2[nH]c1=O 67772563 GKTBHZXOIIBLLF-UHFFFAOYSA-N 366.465 2.606 30 50 FFEA N#Cc1cccc(N2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1 72447079 RESUHJLQOQTYGN-OAQYLSRUSA-N 361.449 2.757 30 50 FFEA COc1cccc([C@H]2O[C@@]3(C)OC(=N)[C@@](C#N)([C@H]3C)C2(C#N)C#N)c1OC 245310683 JSIXCCUXPRCOEI-TYVGYZLZSA-N 366.377 2.678 30 50 FFEA C=CCNC(=O)CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704303783 BGNDDZWBPBMLKX-JOCHJYFZSA-N 362.477 2.726 30 50 FFEA C=CCn1c(=N)n(C[C@H](O)COc2ccccc2OC)c2ccccc21 20026789 YBBWHDDKRCZQTE-HNNXBMFYSA-N 353.422 2.557 30 50 FFEA COC(=O)c1ccccc1N=CC(C#N)=[S@](=O)(O)c1ccc(OC)cc1 334157956 ASYLDPSRSYTATG-UHFFFAOYSA-N 372.402 2.697 30 50 FFEA Cc1cc(=N[C@@H]2CC23CC(NC(=O)[C@H]2CCC2(C)C)C3)[nH]c(C)c1C#N 1875408343 TZMUVYAFBZLEOR-ABLWEVDZSA-N 352.482 2.877 30 50 FFEA CN(C(=O)C1=CC(=O)CC(C)(C)O1)[C@H]1CCCN(Cc2ccccc2F)C1 12453166 KIVIWCWCLQUJHO-INIZCTEOSA-N 374.456 2.900 30 50 FFEA COc1cc(/C=N/N2CCN(Cc3ccccc3)CC2)ccc1OC(C)=O 19879252 CFXUYSCAYBOJSG-PXLXIMEGSA-N 367.449 2.772 30 50 FFEA CCN(CC)CC(=O)N(C)[C@](C#N)(c1ccc(OC)c(OC)c1)C(C)C 5591565 HSZOKSIISLTYDO-FQEVSTJZSA-N 361.486 2.879 30 50 FFEA C=CCNC(=O)CN1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704303786 BGNDDZWBPBMLKX-QFIPXVFZSA-N 362.477 2.726 30 50 FFEA C=CCOc1ccc(/C=c2/sc3nc(-c4ccccc4)nn3c2=O)cc1 1889065 QDFJUGQQLLFBOT-GHRIWEEISA-N 361.426 2.931 30 50 FFEA CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccncc1 3501732 FOYNAZJSQGUFKI-UHFFFAOYSA-N 364.434 2.962 30 50 FFEA Cn1cc(CN2CCN(c3ccc(C#N)cn3)CC2)c(-c2ccccc2)n1 179672612 FBQVQWUVSYKAEN-UHFFFAOYSA-N 358.449 2.676 30 50 FFEA N#Cc1cccnc1N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95371700 MOYUBACTPFXIPG-IOMROCGXSA-N 374.444 2.749 30 50 FFEA COc1cc(/C=N/N=C2/NC(=O)[C@H](Cc3ccc(F)cc3)S2)ccc1O 12843912 LMPXOCAGHMWLDY-UWSDUSPXSA-N 373.409 2.704 30 50 FFEA C/C(=N\N=C(/N)S[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1cccs1 13154799 PQOSJXZNDUUZQP-HIPSJFSSSA-N 372.475 2.852 30 50 FFEA O=C(O)C[C@@H]1S/C(=N/N=C/c2cccc(Oc3ccccc3)c2)NC1=O 4755533 ASZILSSEGHELLO-BKQORJHRSA-N 369.402 2.875 30 50 FFEA COc1cc(-c2nnc(S)n2/N=C/c2ccncc2)cc(OC)c1OC 6004650 HCVHRLBJDWPFNR-VXLYETTFSA-N 371.422 2.537 30 50 FFEA CN(Cc1cc(C#N)cs1)C(=O)c1cc(C(C)(C)C)n2ncnc2n1 1463081158 VFSAFUDKCYRWPW-UHFFFAOYSA-N 354.439 2.627 30 50 FFEA Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1CCOCCC#N 952888280 RGSWITSNXPYDKS-IBGZPJMESA-N 354.454 2.793 30 50 FFEA CCCn1cc(C(=O)N[C@H](CNc2ncc(C#N)cc2F)CC(C)C)cn1 1875334098 XTVACLCKFZFAKL-INIZCTEOSA-N 372.448 2.955 30 50 FFEA C=CCN(c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1)S(C)(=O)=O 2882074 ZRECRMPEFXDZDU-UHFFFAOYSA-N 369.446 2.957 30 50 FFEA Cn1ccnc(N2CCC[C@H](/N=C(/O)[C@@H]3C[C@@H]3c3ccccc3)C2)c1=O 328656493 ZJFRYILNJCDTAX-GVDBMIGSSA-N 352.438 2.509 30 50 FFEA N#Cc1c(N)nc2c(c1-c1ccc(OCCO)cc1)Cc1cc(O)ccc1-2 71416233 MYWXBGNMWOARNU-UHFFFAOYSA-N 359.385 2.850 30 50 FFEA CCOC(=O)N1CCN(C(=O)c2ccc(-c3ncccc3C#N)cc2)CC1 426409545 VBSRYUWTRWYCFZ-UHFFFAOYSA-N 364.405 2.535 30 50 FFEA N#Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)cn1 95529819 IKMDVAXGVJBUDR-GOSISDBHSA-N 372.432 2.613 30 50 FFEA O=C1NC[C@H]2[C@@H]1CCCN2C(=O)Nc1cccc(C#Cc2ccccc2)c1 170608467 NOESCEDWHCGJKY-PMACEKPBSA-N 359.429 2.829 30 50 FFEA C=CCN(C(=O)[C@H]1CC(C)(C)Oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 412218288 RKDIIOLWLMBYQK-ZBFHGGJFSA-N 363.479 2.533 30 50 FFEA CN(CCc1ccccn1)c1ncccc1CNC(=O)c1ccccc1C#N 67818371 CTGVMAXTPYKIOV-UHFFFAOYSA-N 371.444 2.957 30 50 FFEA Cc1ccc(C#N)c(N2CCC[C@H](c3n[nH]c(=O)n3-c3ccccc3)C2)n1 67817943 MNTNDUPOODMRPP-INIZCTEOSA-N 360.421 2.520 30 50 FFEA N#Cc1ccc(N2C[C@H](Cc3ccccc3)N(C(=O)C3CC3)CC2=O)cc1 82120637 AHSDVMMSEJTLNR-FQEVSTJZSA-N 359.429 2.755 30 50 FFEA CCN(C(=O)c1cccc(-c2ccc(F)c(C#N)c2)c1)[C@H]1COC[C@@H]1O 426552000 ORZLBZUSXXRJGK-OALUTQOASA-N 354.381 2.586 30 50 FFEA C[C@@]1(O)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1O 96153374 WYRMBKUQFMGZPG-LEWJYISDSA-N 350.462 2.704 30 50 FFEA CCCCCCCCC[C@@H](O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 96094885 ULWDPUHFMOBGFJ-IAGOWNOFSA-O 360.515 2.971 30 50 FFEA in-vitro N#CC1(CS(=O)(=O)N2CCc3c(F)ccc(Br)c3C2)CC1 297103328 OQHJKUVWZUTFQV-UHFFFAOYSA-N 373.247 2.580 30 50 FFEA COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](O)C3)c(F)c2)cc1 96271026 QBCRLDPMQHPGIM-QGZVFWFLSA-N 353.393 2.831 30 50 FFEA in-vitro Cc1ccc(S(=O)(=O)N/N=C(\Cl)c2ccc([N+](=O)[O-])cc2)cc1 3077752 YYLROGJJMFYHFE-PEZBUJJGSA-N 353.787 2.782 30 50 FFEA C#CCCC1(CCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)N=N1 952879150 ALJYKDWXLUNSTM-UHFFFAOYSA-N 352.438 2.763 30 50 FFEA C#CCCC1(CCC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)N=N1 2325892721 YUTCSBZZUIDBKZ-WBVHZDCISA-N 352.438 2.648 30 50 FFEA CN(Cc1noc(C2CCCC2)n1)C(=O)c1ccc(C#CC(C)(C)O)o1 65430399 WUCKXFDRMDDEQB-UHFFFAOYSA-N 357.410 2.715 30 50 FFEA COc1nccc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)c1C#N 95372540 QLWOYUJZLRXFQD-MRXNPFEDSA-N 362.433 2.605 30 50 FFEA N#Cc1ccccc1-c1ccccc1C(=O)N[C@H](CO)CN1CCCCC1 241144855 JTRHVDYXJAGTQM-SFHVURJKSA-N 363.461 2.802 30 50 FFEA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cccc(C#N)c3)C1)CC2 2356137268 VPAKSYASJUTGKP-NRFANRHFSA-N 361.449 2.534 30 50 FFEA O/C(=N/[C@@H]1CCN(c2c(F)cccc2F)C1)c1c[nH]nc1[C@H]1CCOC1 330318589 CMFNOEKNDQKWPS-NWDGAFQWSA-N 362.380 2.775 30 50 FFEA COCCNC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)c1 488086697 KUPPMUSUEPDRGW-CQSZACIVSA-N 366.421 2.817 30 50 FFEA N#Cc1cc(C(=O)O)cc(Br)c1I 263625313 YQUQMIRGDYGMBL-UHFFFAOYSA-N 351.925 2.624 30 50 FFEA C[C@@H](NC(=O)CSc1nc2c(cc1C#N)CN(C)CC2)c1ccccc1 19851697 VLOAMKXOHBTEKY-CQSZACIVSA-N 366.490 2.911 30 50 FFEA CCN1CCC[C@@H](CN(C)/C(O)=N/CCn2cccc2)[C@@H]1c1cnn(C)c1 328618977 FJNSRNKGHMBYSU-PKOBYXMFSA-N 372.517 2.541 30 50 FFEA CN(Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C[C@H]1COCCO1 65455815 YYZDUKHAJBDTNW-FQEVSTJZSA-N 365.433 2.658 30 50 FFEA Cc1ccccc1OCC(=O)N1CC(=O)N(c2ccc(C#N)cc2)C[C@@H]1C 82091782 DIPDCJUSJRHRIQ-INIZCTEOSA-N 363.417 2.509 30 50 FFEA CC(C)(C)N1C[C@@H](C(=O)N2CCC(c3cccc(C#N)c3)CC2)CC1=O 91849153 WJKYTNSEJBNQHJ-SFHVURJKSA-N 353.466 2.911 30 50 FFEA C#CCCC1(CCNC(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2C(F)(F)F)N=N1 1875380907 DMXMJHLXZFRJTC-STQMWFEESA-N 358.408 2.977 30 50 FFEA Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)CC2)o1 170608008 IGBPYVWQFVFMEX-IAGOWNOFSA-N 368.412 2.883 30 50 FFEA N#CC1(CCCN2CCN(Cc3cn4ccccc4n3)CC2)CCOCC1 282031625 QDOSAKAXWGHQNY-UHFFFAOYSA-N 367.497 2.552 30 50 FFEA O=C(/C=C\c1ccc2c(c1)OCO2)C[C@]1(O)C(=O)Nc2ccc(Cl)cc21 16184301 IKDGZBPSXNMNSR-DCFVNDKZSA-N 371.776 2.881 30 50 FFEA Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CCc1nc(C(C)C)no1 821638345 SIAALDGDUZUEQS-UHFFFAOYSA-N 365.397 2.525 30 50 FFEA Cc1nc2c([nH]1)[C@H](C(=O)N1CCO[C@@H](c3cccc(C#N)c3)C1)CCC2 2325806342 ILWZFGQTTIUWSQ-SJLPKXTDSA-N 350.422 2.610 30 50 FFEA N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCCC34CCCC4)CC2)n1 2325827791 QOGAZFRFYZLZST-QGZVFWFLSA-N 353.470 2.898 30 50 FFEA COC[C@@H](C)n1c(CCCC(=O)N2CCC(C#N)CC2)nc2cccnc21 77406244 UCSOYWCKNWZEDK-OAHLLOKOSA-N 369.469 2.724 30 50 FFEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1c(F)cccc1F)C2 14530722 PCMBEDZWMOIVKO-ZDUSSCGKSA-N 374.435 2.696 30 50 FFEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCCCOCC)C2 14534842 QCFHMEMRXLYZBX-QGZVFWFLSA-N 374.529 2.569 30 50 FFEA C#CCCC1(CCNC(=O)[C@H](N)Cc2cccc(C(F)(F)F)c2F)N=N1 2325901066 SGLXSLVBGAVLLW-CYBMUJFWSA-N 370.350 2.796 30 50 FFEA Cc1ccc(C(C)(C)/N=C(/O)c2cc(S(=O)(=O)N(C)C)c(C)o2)cn1 330814382 LXGJYVJLGSTLMJ-UHFFFAOYSA-N 365.455 2.782 30 50 FFEA C=CCC(O)(CC=C)CNC(=O)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 12596257 RIFWFYCZPSAIDA-KRWDZBQOSA-N 374.456 2.564 30 50 FFEA O=C1C(O)=C(CC2=C(O)C(=O)[C@H]3C=CC=C[C@@H]3C2=O)C(=O)c2ccccc21 101022497 CSTUXAZAWKGUIT-JQWIXIFHSA-N 362.337 2.590 30 50 FFEA Cc1cc(C#N)cc(C)c1C(=O)N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O 1875402685 KGQSKEWVHUOFKS-DJIMGWMZSA-N 372.856 2.595 30 50 FFEA C#CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 3904467 NFYQYYBJFAPREN-LDADJPATSA-N 350.349 2.931 30 50 FFEA C=CCN(c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1)S(C)(=O)=O 4827513 ZMJCVJDNQJCQQG-UHFFFAOYSA-N 374.418 2.620 30 50 FFEA C[C@H](CC#N)NC(=O)c1cc(Br)c(O)c(Br)c1 126221469 YDGZBAADPVAEEP-ZCFIWIBFSA-N 362.021 2.949 30 50 FFEA C=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)NCC3CC3)nc2c1=O 72480896 UQQQVXCKQCSEJG-UHFFFAOYSA-N 366.396 2.628 30 50 FFEA N#Cc1ccc(-c2cccc(C(=O)NC[C@@]3(O)CCCNC3)c2)cc1Cl 426359521 JVPHOCOJGZHWNG-HXUWFJFHSA-N 369.852 2.723 30 50 FFEA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(c2ncccc2C#N)CC1 95497703 UMERTMGQIPWFSB-LJQANCHMSA-N 369.513 2.550 30 50 FFEA N#Cc1ccsc1N1CC[C@@H](N2CC[C@]3(C2)OCc2ccccc23)C1=O 186718473 VTAASBYCJISXQR-YLJYHZDGSA-N 365.458 2.856 30 50 FFEA N/C(Cc1cccs1)=N\OC(=O)COc1ccc(Br)cc1 5092314 WHGNKACDSDZLNU-UHFFFAOYSA-N 369.240 2.948 30 50 FFEA C=C(C)[C@@H](O)CC(=O)N1CCc2cc(Br)c(O)cc2[C@@H](C)C1 2325784162 DYNFMYFYBVFJBX-NHYWBVRUSA-N 368.271 2.970 30 50 FFEA N#Cc1cccc(C[C@@H](N)C(=O)N2CCC(c3c[nH]c4cccnc34)CC2)c1 2325808209 GCHYJNDYXXTECO-LJQANCHMSA-N 373.460 2.711 30 50 FFEA O=C1O/C(=C\NN/C(C[N+](=O)[O-])=N/c2ccc(Cl)cc2)c2ccccc21 13121996 ZMBRSGPDZYLZEE-DHDCSXOGSA-N 372.768 2.910 30 50 FFEA N#C[C@@H]1CCCN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)C1 91966435 WTXNBGXMDDHQRA-JHMRYYBSSA-N 366.465 2.613 30 50 FFEA CC(C)[C@H](C#N)NS(=O)(=O)c1ccc(Br)c(Cl)c1 330925321 URABVEBGLJBDCB-NSHDSACASA-N 351.653 2.929 30 50 FFEA N=C(O)c1cnn2c1C[C@H](C/N=C(/O)[C@@H]1CCCc3cccnc31)CC2 328862339 AVHSRVCPASITEF-TZMCWYRMSA-N 353.426 2.800 30 50 FFEA CN1CCC[C@@H](C/N=C(/O)N2CCC(C(F)F)CC2)[C@@H]1c1ccnn1C 329523505 RQAHSTLEYWQTGH-GOEBONIOSA-N 369.460 2.694 30 50 FFEA CCOC(=O)c1sc(NC(=O)c2ccnn2C(F)F)c(C#N)c1C 2792440 ZPZBKAOSDDJTMR-UHFFFAOYSA-N 354.338 2.949 30 50 FFEA C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1C#N 284585666 OKVQLYIMKGQDRI-XEZPLFJOSA-N 355.360 2.728 30 50 FFEA CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)c(C(F)(F)F)c2)CC1 255189569 QTPADTYMGCKCBA-UHFFFAOYSA-N 370.224 2.756 30 50 FFEA C=CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)C(=O)NC1=S 15012431 TVRDLKLDSPUJQT-PTNGSMBKSA-N 352.415 2.661 30 50 FFEA COc1ccc(C[C@H]2S/C(=N\N=C\c3ccc(O)cc3)NC2=O)cc1 6973636 GPCBQVUDWKQALV-YDDPGSGASA-N 355.419 2.565 30 50 FFEA N#Cc1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cn1 115070376 QIGKJXRNVAQVQK-UHFFFAOYSA-N 353.769 2.629 30 50 FFEA Cc1csc(CN(C)C[C@H]2[C@@H]3CN(C(=O)c4cccc(C#N)c4)C[C@H]23)n1 102829861 XPYMQOUVXZWHEH-NNZMDNLPSA-N 366.490 2.773 30 50 FFEA CCN1CCC[C@@H](CN(C)/C(O)=N/Cc2ccco2)[C@@H]1c1cnn(C)c1 328635108 ULVIQRICOJHDKK-MAUKXSAKSA-N 359.474 2.832 30 50 FFEA CCCn1nnc2cc(-c3cc(-c4cnn(C)c4)c(C#N)c(N)n3)ccc21 71750792 MJACUQALCXQXDP-UHFFFAOYSA-N 358.409 2.758 30 50 FFEA CC1CCN(CC(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 230553359 DFZHWDWJFAUUIZ-UHFFFAOYSA-N 358.291 2.656 30 50 FFEA N#Cc1cc(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)ccn1 193270956 XZMVFBIZOLEIOM-UHFFFAOYSA-N 353.769 2.629 30 50 FFEA CC(=O)c1ccc(N/N=C(/C(N)=O)C2=NC(C)(C)Cc3ccccc32)cc1 13145035 ALJIEVIJBAJISI-NCELDCMTSA-N 362.433 2.966 30 50 FFEA Cc1cc(N2CCc3nc(Cc4ccccc4)nn3CC2)nc(C)c1C#N 2356158944 FWEQIKSOCGBBRG-UHFFFAOYSA-N 358.449 2.815 30 50 FFEA COc1ccccc1C(=O)C[C@@]1(O)C(=O)N(CCCC#N)c2ccccc21 4784414 DHQDMQAJHXWIRJ-NRFANRHFSA-N 364.401 2.806 30 50 FFEA COc1ccc(-c2cc(-c3cn(CCO)nc3C)c(C#N)c(N)n2)cc1F 67489972 DOZMNDIUNPBDJP-UHFFFAOYSA-N 367.384 2.514 30 50 FFEA CC(C)Oc1ccccc1/C=N/O[C@H]1CCCN(c2cnn(C)c2)C1=O 170642552 RMGGQCRTIWUWCC-NIQDBXHUSA-N 356.426 2.753 30 50 FFEA CN(C)[C@H](C(=O)N1CCN(c2ccccc2C#N)CC1)c1cccc(F)c1 92061742 UIODYADZRCTRFD-FQEVSTJZSA-N 366.440 2.649 30 50 FFEA Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccn2)o1 13569845 DXGUHZMWBMUKCE-QGZVFWFLSA-N 369.421 2.513 30 50 FFEA CC1(C)OB(C2CCN(C(=O)N3CCOCC4(CC4)C3)CC2)OC1(C)C 1875366866 OLTDLXBXGWVYIC-UHFFFAOYSA-N 364.295 2.777 30 50 FFEA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)C(=O)CCc2ccc(C#N)cc2)C1 886094058 PLUHWVUFMASGSR-AQNXPRMDSA-N 355.482 2.591 30 50 FFEA C#CCCC1(CCNC(=O)c2cc3ccccc3c(OCCOC)n2)N=N1 2325890966 IVLYOXSLJLFMFJ-UHFFFAOYSA-N 366.421 2.955 30 50 FFEA C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cccnc1 6731906 SFJXMZBKKLWKBP-UHFFFAOYSA-N 358.452 2.713 30 50 FFEA C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NCCc1nc3ccccc3c(=O)[nH]1)C2 67769909 RKPFXKHESLGMNF-QKKBWIMNSA-N 351.450 2.964 30 50 FFEA Cc1nn(CCCNC(=O)c2cccc(C#CC(C)(C)O)c2)c(C)c1C 222390982 BIBRCQTXYOAOFM-UHFFFAOYSA-N 353.466 2.751 30 50 FFEA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(/C(O)=N/CC2CCCC2)CC1 328623196 BSAQCFKNCPFCSC-LJQANCHMSA-N 373.501 2.784 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H](CN2CCOCC2)c2ccccc2C)N=N1 2325900451 ZIQKPBLVKXCBNP-IBGZPJMESA-N 368.481 2.840 30 50 FFEA C(=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)\c1ccco1 3898973 KYNKNROVOLXNFQ-XMHGGMMESA-N 355.446 2.891 30 50 FFEA COc1ccc(-c2cc([C@@H]3CCOC3)c(C#N)c(N)n2)c(OC)c1OC 67724376 ZBFCPJNWVBZCJQ-LLVKDONJSA-N 355.394 2.732 30 50 FFEA CNC(=O)c1ccc([C@H]2CCCCN2C/C(O)=N/Cc2ccco2)n1C 328628005 GTJPYXKYNUYRBV-MRXNPFEDSA-N 358.442 2.661 30 50 FFEA CN1C(=O)C[C@@H](CNCc2cnc3ccc(C#N)cn23)[C@@H]1c1ccccc1 373465942 BNWWAOUJEQQDEZ-UWJYYQICSA-N 359.433 2.515 30 50 FFEA Cc1ccc(OCc2nc(C#N)c(NCCCN3CCOCC3)o2)cc1 19911299 IFXDPFVVKXLCKP-UHFFFAOYSA-N 356.426 2.568 30 50 FFEA N#Cc1cccc(N2CCN(c3cccc(-n4cccc4)c3C#N)CC2)n1 2325867272 PWAHLCKFCNLDQV-UHFFFAOYSA-N 354.417 2.942 30 50 FFEA C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 629303 CMLXZGNWLHNQIR-UHFFFAOYSA-N 370.478 2.724 30 50 FFEA Cc1ccc(C(=O)N2CCN(/C(O)=N/[C@H](C)[C@@H]3CCCOC3)CC2)s1 329394455 VGHAUGKJSWKXKP-HUUCEWRRSA-N 365.499 2.543 30 50 FFEA CC1CCN(C(=O)C2CCN(/C(O)=N/[C@H](C)[C@@H]3CCCOC3)CC2)CC1 329485412 FXWKUCWRNNBSJO-SJLPKXTDSA-N 365.518 2.686 30 50 FFEA C[C@H]1C[C@H](C)C(=O)C(=C(CC2CC(=O)NC(=O)C2)Nc2ccccc2)C1=O 5690841 TYSGJWLNVJBNHV-STQMWFEESA-N 368.433 2.610 30 50 FFEA C#CCCC1(CCC(=O)NC[C@H]2CCN(c3ccccc3OC)C2)N=N1 952881726 MNKPGOCACAGRLF-MRXNPFEDSA-N 354.454 2.993 30 50 FFEA C=CCn1c(SCC(N)=O)nc2scc(-c3ccccc3)c2c1=O 632119 HNUVSLOYUHNEKO-UHFFFAOYSA-N 357.460 2.888 30 50 FFEA CC#CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 11839155 URSSWAZHLLKKGZ-LJQANCHMSA-N 364.449 2.832 30 50 FFEA N#Cc1cc(N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)ccc1C(F)(F)F 367756965 JFZLRVGZKRMJRP-FMKPAKJESA-N 353.344 2.815 30 50 FFEA N/C(=N\OC(=O)COc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 5044290 OMQLFEBBGDXTAH-UHFFFAOYSA-N 365.345 2.991 30 50 FFEA C=C(C)CN(C)Cc1ccc(OC[C@@H](O)CN(C)C(C)C)c(OC)c1 11840638 WHGRGPPPHFGQCH-SFHVURJKSA-N 350.503 2.783 30 50 FFEA COc1ccc(N2C(=O)C[C@H](S/C(N)=N\c3ccccc3)C2=O)cc1 95532295 NHDWRKZDZXTELC-HNNXBMFYSA-N 355.419 2.707 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc(O)c(CN3CCOCC3)c2)N=N1 2325892254 GFIALTVKQZARMA-UHFFFAOYSA-N 356.426 2.519 30 50 FFEA CC/N=C1/S[C@H](CC(=O)Nc2ccc(OC(F)F)cc2)C(=O)N1CC 100867804 UASCXDMRKLYMSO-OHEASWGXSA-N 371.409 2.956 30 50 FFEA Cc1c(N=C(O)N2CC(=O)N(C)[C@H](C)C2)cccc1OCC(F)(F)F 330387300 VQOWLFJBBOHDPC-SNVBAGLBSA-N 359.348 2.644 30 50 FFEA Cc1cc(C)c(C#N)c(-c2ccc(C(=O)N[C@H](C)Cn3cncn3)cc2)n1 426715831 FZQRXZJTNNDCBR-OAHLLOKOSA-N 360.421 2.647 30 50 FFEA C[C@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)[C@H](c2ccccc2)CO1 164039158 XELSUKBSZUSLBA-LIRRHRJNSA-N 374.437 2.989 30 50 FFEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccco1 19927998 LONDGNMUQDZLJD-MRXNPFEDSA-N 358.369 2.559 30 50 FFEA C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CCc3c(nnn3C)C2)c1 2325750101 IRURDWXZJDGFAK-MRXNPFEDSA-N 360.417 2.728 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc(CN3CCN(C)CC3)cc2F)N=N1 2325892637 UXSQDHFWLNMQDK-UHFFFAOYSA-N 371.460 2.867 30 50 FFEA O/C(=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)NCc1cscn1 328639296 WWLMOZBLOJZOPP-VIFPVBQESA-N 359.377 2.625 30 50 FFEA CC(C)(C/N=C(/O)N[C@@H]1CCCNC1=O)c1ccccc1Br 331341509 XYZZRWBPEWVYLZ-CYBMUJFWSA-N 368.275 2.509 30 50 FFEA N#Cc1cc2c(=O)n(C[C@@H](c3ccccc3)N3CCCCC3)ccc2[nH]c1=O 67674765 QGYYHDWYRMRLGL-FQEVSTJZSA-N 374.444 2.789 30 50 FFEA Cc1cc(C)n2ncc(-c3cc(-c4c(C)nn(C)c4C)nc(N)c3C#N)c2n1 71422433 WVXDVUIRAJJHAW-UHFFFAOYSA-N 372.436 2.879 30 50 FFEA CC(C)[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1NC(=O)C1CCOCC1 92028146 HVHLTTYYLPNJPY-UXHICEINSA-N 355.482 2.557 30 50 FFEA O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1ccc(Br)cc1)[C@H]1C=C[C@H]2C12CC2 105214517 QMTDZAVNWVAJSX-AMJPZWGQSA-N 371.234 2.980 30 50 FFEA CCc1nc(C/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)cs1 328637830 OWFUKEYBACWZSM-UHFFFAOYSA-N 351.472 2.532 30 50 FFEA COc1cc(/C=C/C(=O)c2cnnn2-c2ccccc2)cc([N+](=O)[O-])c1O 253424624 INPPSWCAYNFASF-BQYQJAHWSA-N 366.333 2.786 30 50 FFEA CCNc1ncc(-c2cc(-c3cccc(C(=O)O)c3)nc(N)c2C#N)cn1 72166938 MMYVRGAFXYGOEE-UHFFFAOYSA-N 360.377 2.789 30 50 FFEA C[C@H]1CN(c2ccccc2C#N)C(=O)CN1Cc1noc(C2CCCC2)n1 426552295 HHECBSKNTDSBOG-AWEZNQCLSA-N 365.437 2.836 30 50 FFEA CN(C)CCn1ccnc1C1CCN(C(=O)Nc2cccc(C#N)c2)CC1 91807569 ALROMYASPGXDEX-UHFFFAOYSA-N 366.469 2.728 30 50 FFEA N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)CCN2 414903059 LJJQDZXNDDRDPM-ICSRJNTNSA-N 374.444 2.891 30 50 FFEA O=C(CO[C@H]1C#CCCCCC1)Nc1cc2c(cc1Cl)NC(=O)CO2 2325797882 JVGMRSVUZCPYJF-GFCCVEGCSA-N 362.813 2.962 30 50 FFEA C=CCn1c(SCc2cccc3c2OCCO3)nnc1-c1cnccn1 124061984 JHGSOKOOUHIHHA-UHFFFAOYSA-N 367.434 2.985 30 50 FFEA N#Cc1ccsc1N1CC[C@@H](Sc2nnc(NC3CC3)s2)C1=O 176934910 MUQKNDRDDSDVNY-SNVBAGLBSA-N 363.493 2.943 30 50 FFEA C=CC[C@@]1(CO)CCCN(C(=O)C2(c3ccccc3)CCN(C)CC2)C1 91876853 WVVHYNFAULRUGG-OAQYLSRUSA-N 356.510 2.827 30 50 FFEA C#CCCC1(CCNC(=O)c2cc(C3CC3)nc3c(Cl)cnn23)N=N1 1875382311 XQNRHZMDKOTYEK-UHFFFAOYSA-N 356.817 2.956 30 50 FFEA C[C@@H](Oc1ccc(-c2c(C#N)c(N)nc3c2N2CCC3CC2)cc1)C(=O)O 102147374 ONQHJPAOUNEFLP-LLVKDONJSA-N 364.405 2.752 30 50 FFEA COC(=O)c1cc(I)cc(Br)c1C#N 263623305 GJHOPARZXHIGKQ-UHFFFAOYSA-N 365.952 2.712 30 50 FFEA N#Cc1ccccc1CN1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 213336248 NXWOFCVXSUUBSS-AEFFLSMTSA-N 352.463 2.638 30 50 FFEA C/C(CC(=O)N(C(C)C)C(C)C)=N\NS(=O)(=O)c1ccc(C)cc1 5683460 WIEZPKWEURSYGT-OBGWFSINSA-N 353.488 2.685 30 50 FFEA C=CCN(CC=C)C(=O)[C@H]1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1 12036195 JZHXSPAIRNHAFV-CYBMUJFWSA-N 373.478 2.827 30 50 FFEA CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C2(C#N)CC2)cc1 376857349 RIBCNCPYUWKFNW-LJQANCHMSA-N 359.429 2.555 30 50 FFEA Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1CCOCCC#N 952888284 RGSWITSNXPYDKS-LJQANCHMSA-N 354.454 2.793 30 50 FFEA C[C@H]1CCc2c(sc(NC(=O)C(=O)NCc3ccccc3)c2C#N)C1 2891003 IRSCKHOGVIQHQJ-LBPRGKRZSA-N 353.447 2.999 30 50 FFEA C#CCCC1(CCNC(=O)c2cn(CCN(C)C)c3ccccc23)N=N1 2325891127 RWBHDIKJXTWBCD-UHFFFAOYSA-N 351.454 2.898 30 50 FFEA Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 845097 SJRFQQUPAQTQFN-VIFPVBQESA-N 359.411 2.796 30 50 FFEA CCCCOc1ccc(Br)cc1/C(C)=N/NC1=NCCN1 4696910 RXMDCSNWVQQFHW-YBFXNURJSA-N 353.264 2.901 30 50 FFEA Cc1cc(N2CCN(Cc3ccccc3C#N)CC2)n2nc(C)c(C)c2n1 72420356 PXEFUCOQYCXOQU-UHFFFAOYSA-N 360.465 2.848 30 50 FFEA CC(C)N1C[C@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1=O 121143475 NCTXKRVYUZGIHS-OAHLLOKOSA-N 368.462 2.801 30 50 FFEA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(CCOCCC#N)CC2 294561182 LMCUCSWEWRTXBX-SFHVURJKSA-N 361.511 2.881 30 50 FFEA 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)c([N+](=O)[O-])c1 252428601 PYFMQUCYIDMEMK-OXGWSZEBSA-N 371.780 2.635 30 50 FFEA CC1=CC(=O)C=C/C1=N\OC(=O)c1ccc(I)cc1 4754824 JFWHXUFAKIADSP-DTQAZKPQSA-N 367.142 2.889 30 50 FFEA C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4C[C@@H](C)O[C@H](C)C4)[C@H]3[C@@H]3O[C@]132 252693039 ADDHZWLTSYXUMP-YOYCCLINSA-N 363.498 2.621 30 50 FFEA biogenic O=[N+]([O-])c1ccccc1/C=N/n1c(S)nnc1COc1ccccc1 15988015 OMPGJOQTZBOCKG-LICLKQGHSA-N 355.379 2.936 30 50 FFEA N#Cc1nnc2ccccc2c1N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O 1875399516 YSTSDEATGKXEJN-UXEPBGEESA-N 368.828 2.603 30 50 FFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)cc1 2057129 PGRXLUNHDKOPDJ-GOSISDBHSA-N 357.406 2.550 30 50 FFEA COc1nccc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)c1C#N 95497254 GBORHYHUTAOLFO-INIZCTEOSA-N 374.448 2.986 30 50 FFEA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)CN1Cc1cc(C#CCO)cs1 828644565 FJTPAPQVJFIWED-IBGZPJMESA-N 366.442 2.585 30 50 FFEA O=C1C=C(c2ccccc2)C[C@@H](c2ccccc2)[C@H]1n1nnc([N+](=O)[O-])n1 5006097 AWJFAYCECIVOOU-FUHWJXTLSA-N 361.361 2.963 30 50 FFEA C=CCC(=O)N1CC[C@]2(CCCN(Cc3cc(OC)ccc3F)C2=O)C1 12571658 UZFCHZIKOBVELK-HXUWFJFHSA-N 360.429 2.752 30 50 FFEA O=C(C[C@@H]1CCOC1)N1CCOc2c(N=C(O)C[C@@H]3CCOC3)cccc21 328906764 LAEVKBMXIHXFBN-GJZGRUSLSA-N 374.437 2.853 30 50 FFEA N#Cc1cc(N2CCN(Cc3cn4ccccc4n3)CC2)c(Cl)cn1 2325789403 NOADHSYXNKHWOR-UHFFFAOYSA-N 352.829 2.577 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCCC[C@H]2CCn2cccn2)o1 65387891 KLTZYTSRQQIZOK-INIZCTEOSA-N 355.438 2.684 30 50 FFEA O/C(=N/[C@H](CN1CCOCC1)c1ccccc1)c1cn2c(n1)CCCC2 328733472 XZTWKJPXAQODHU-QGZVFWFLSA-N 354.454 2.598 30 50 FFEA C=C(C)CNC(=O)c1cccc(OC2CCN(C3CCN(C)CC3)CC2)c1 19223726 JUKOQQAKUKMTIS-UHFFFAOYSA-N 371.525 2.930 30 50 FFEA CC(=O)NC1CC([C@@H]2CCN(C(=O)C(C)(C)c3ccc(C#N)cc3)C2)C1 2325849258 JPHFJQIMZDAUJK-LRYGQEGESA-N 353.466 2.599 30 50 FFEA C#CCCC1(CCC(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)N=N1 2325892691 XBOULFOROMWMQU-MRXNPFEDSA-N 367.453 2.923 30 50 FFEA CCCCCCCCCCCCNC(=O)C[C@](O)(CC(=O)O)C(=O)O 100969993 ABGBGJXCHTWNJK-SFHVURJKSA-N 359.463 2.704 30 50 FFEA O=[N+]([O-])c1cc(/C=N/c2ccc3c(c2)OCCO3)ccc1N1CCOCC1 227156855 ASMIYEOQKGYGQQ-DEDYPNTBSA-N 369.377 2.953 30 50 FFEA Cc1nccc(N=C(O)N[C@H](c2nc(C(C)C)no2)C2CCOCC2)n1 328635740 UZQOUDSPVINWIG-AWEZNQCLSA-N 360.418 2.594 30 50 FFEA CCOc1cc2c(cc1C/N=C(/O)N1CC(/N=C(/O)C3CC3)C1)O[C@H](C)C2 330262549 VEPBJYSMKOADII-GFCCVEGCSA-N 373.453 2.873 30 50 FFEA N#Cc1cccnc1N1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 72463167 BRMIIAXRTGKRLP-NRFANRHFSA-N 361.449 2.757 30 50 FFEA C[C@@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)c1cnc2ccccc2c1 82097823 XZTQPJGJSYDNOX-OAHLLOKOSA-N 370.412 2.984 30 50 FFEA COCC1(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CCCC1 534665552 JMBJAFVRPWVKLY-UHFFFAOYSA-N 356.470 2.597 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCCN(C3CCCCC3)CC2)o1 952985502 BUOHTRVZYHOPLT-UHFFFAOYSA-N 358.482 2.883 30 50 FFEA COc1ccc(OC)c(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c1 1187672 NVAZUDZFEXCHJO-LICLKQGHSA-N 354.815 2.670 30 50 FFEA C#CC(C)(C)OC[C@@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 12381138 SPZBELCEWZYPKC-KRWDZBQOSA-N 370.415 2.617 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)NCC[C@@H]2COc3ccccc3O2)c1 65398318 OAPKWDVHGIMOLA-GOSISDBHSA-N 365.429 2.769 30 50 FFEA CC(=O)c1cccc(S(=O)(=O)NC(=O)C(C)(C)c2cccc(C#N)c2)c1 170645554 MHNWIKVOEXAIQA-UHFFFAOYSA-N 370.430 2.544 30 50 FFEA C#CCOc1ccc(/C=C2\NC(=S)N(c3ccc(OC)cc3)C2=O)cc1 2898848 PBUKCTRNLOCQGX-AQTBWJFISA-N 364.426 2.969 30 50 FFEA N#Cc1cccnc1N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 72463168 BRMIIAXRTGKRLP-OAQYLSRUSA-N 361.449 2.757 30 50 FFEA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 95363318 OGCNDNJVEVBNIR-KRWDZBQOSA-N 366.469 2.728 30 50 FFEA C=C1C(=O)O[C@@H]2C=C(C)C[C@H]3C=C(C[C@H](OC(=O)/C(C)=C\C)[C@@H]12)C(=O)O3 585660584 FTPHYXGWMIZVMP-WEXDWKJPSA-N 358.390 2.554 30 50 FFEA biogenic,in-vitro O=C1NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C1\Nc2ccccc2C1=O 100164461 DKPLKYYSZIMXOP-YPKPFQOOSA-N 374.183 2.934 30 50 FFEA biogenic C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 367095773 ZFBBEVAAZIOSOA-NEWSRXKRSA-N 366.502 2.727 30 50 FFEA COc1cc(C)sc1C(=O)N[C@@H]1COCC[C@H]1Oc1ccc(C#N)cc1 218939497 RIUXUGZIBJAVQT-HZPDHXFCSA-N 372.446 2.903 30 50 FFEA COCc1cc(C)nc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)c1C#N 18149176 NNWWUIBRWWNDSL-MRXNPFEDSA-N 367.430 2.832 30 50 FFEA O=C(c1cccs1)N1CCN(/C(O)=N/[C@H]2CCc3ccccc3C2)CC1 328844481 WVMNMHRAYBKYLH-KRWDZBQOSA-N 369.490 2.977 30 50 FFEA COc1nccc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)c1C#N 95529681 LGAISXPIUNDFJS-KRWDZBQOSA-N 374.448 2.986 30 50 FFEA C=C(C)C(=O)Oc1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 5495189 RWFZILGFHZXRMA-UHFFFAOYSA-N 352.302 2.877 30 50 FFEA C=C(Cl)Cn1c(=O)c(CNCCOC)cc2cc(OC)c(OC)cc21 12218842 UFWRONFVESYPEU-UHFFFAOYSA-N 366.845 2.507 30 50 FFEA C=CCC1(C(=O)NCC2(CO)CCN(C(=O)OC(C)(C)C)CC2)CCC1 1875321147 WGZYAWPDCLTPSI-UHFFFAOYSA-N 366.502 2.859 30 50 FFEA N#Cc1ccc(OCC(=O)N2N=C3CCCC[C@H]3[C@@]2(O)C(F)(F)F)cc1 4866673 RAUHRSFCKJQRDR-CZUORRHYSA-N 367.327 2.576 30 50 FFEA COc1ccc(-c2cc(-c3ccc(CO)o3)c(C#N)c(N)n2)cc1OC 67755564 IILHVPLXPOTCQH-UHFFFAOYSA-N 351.362 2.972 30 50 FFEA Cc1nccc(N=C(O)N[C@@H](c2nc(C(C)C)no2)C2CCOCC2)n1 328635741 UZQOUDSPVINWIG-CQSZACIVSA-N 360.418 2.594 30 50 FFEA N#C[C@@H]1CC[C@@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 278654040 QAEMWQLCYUOGSZ-VQIMIIECSA-N 369.490 2.838 30 50 FFEA C#CCCC1(CCC(=O)N2CCC[C@@H](c3ccnc(COC)n3)C2)N=N1 2325900913 NJUKARQQUNIJNQ-OAHLLOKOSA-N 355.442 2.685 30 50 FFEA C#CCN(Cc1ccco1)C(=O)CCc1nc(-c2ccccc2OC)no1 55054007 ZKRJFBBNGFSODU-UHFFFAOYSA-N 365.389 2.933 30 50 FFEA N#Cc1ccccc1N1CCN(Cc2ccc(-c3cc[nH]n3)s2)CC1=O 82086770 XZDJWJIMZWMKCZ-UHFFFAOYSA-N 363.446 2.859 30 50 FFEA COc1nccc(N2CCC(c3nccn3Cc3ccccn3)CC2)c1C#N 95512350 JLNWLTCGXKOION-UHFFFAOYSA-N 374.448 2.986 30 50 FFEA CCc1cc(C#N)ccc1NC(=O)N1CCCO[C@H](CN2CCCC2)C1 95502483 KLFKYYMTTQTQIU-GOSISDBHSA-N 356.470 2.839 30 50 FFEA CN(C)[C@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1F 91547166 XHWNCVRLYIYHQH-FQEVSTJZSA-N 366.440 2.649 30 50 FFEA CSc1cc(C(=O)NS(=O)(=O)c2cccc(C#N)c2)ccc1F 179422558 FSNQSWSKQKINIK-UHFFFAOYSA-N 350.396 2.538 30 50 FFEA 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(Br)cc1 252327548 URPZHFWDRVPDSQ-NNTZHCNHSA-N 371.234 2.836 30 50 FFEA N#Cc1ccccc1Cn1ccn2nc(-c3cccc(F)c3)c(CO)c2c1=O 263616347 IEUGFGBRBLVEEX-UHFFFAOYSA-N 374.375 2.714 30 50 FFEA O=C1NC[C@@H]2[C@@H]1CCCN2C(=O)Nc1cccc(C#Cc2ccccc2)c1 170608469 NOESCEDWHCGJKY-VQTJNVASSA-N 359.429 2.829 30 50 FFEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccncc1 19884962 NDPNZZSIYWRFDE-INIZCTEOSA-N 371.462 2.673 30 50 FFEA COCc1nc([C@H]2CN(c3c(F)cc(C#N)cc3F)C[C@@H]2C2CC2)n[nH]1 952849968 JHKNVGHFUYNYAW-OLZOCXBDSA-N 359.380 2.731 30 50 FFEA COc1cc(C)c(S(=O)(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1C 123158659 OHXDXZLMSAFZPA-UHFFFAOYSA-N 362.455 2.936 30 50 FFEA CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(C#N)cc2)NC(=S)N1 4807538 PQWBNUJGRADPKT-SFHVURJKSA-N 362.458 2.667 30 50 FFEA C/C(=N\N=C(/N)S[C@H]1CC(=O)N(c2ccccc2)C1=O)c1cccs1 8682367 PQOSJXZNDUUZQP-YRIIZNAFSA-N 372.475 2.852 30 50 FFEA COCC/N=C(/O)c1c[nH]nc1[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 328604449 JXSUKWIHVLYHKF-QGZVFWFLSA-N 367.453 2.612 30 50 FFEA CC(C)(CN(C(=O)[C@@H]1CCCOC1)C1CC1)/N=C(/O)[C@@H]1CCCOC1 329946698 GNLVGXCFVOXOQY-HUUCEWRRSA-N 352.475 2.566 30 50 FFEA CCn1c(CN2CCCC2)nnc1C1CCN(c2ncccc2C#N)CC1 82108175 OSLSRNXXZZBBIS-UHFFFAOYSA-N 365.485 2.544 30 50 FFEA C#CCCC1(CCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)N=N1 952881401 LSMXLZSMSSYTLT-UHFFFAOYSA-N 363.465 2.948 30 50 FFEA COc1ccccc1N(CCC#N)C(=O)CN1CCC[C@]2(CCCCO2)C1 2325750098 IGLMHVJXVGFACM-OAQYLSRUSA-N 371.481 2.977 30 50 FFEA O=C1CCC(c2ccccc2)=C1CC(=O)N1CCC(c2ncon2)CC1 426504450 GQZVLQYINWAZTE-UHFFFAOYSA-N 351.406 2.982 30 50 FFEA C[C@H]1CN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@H]5[C@@H]32)C[C@@H](C)O1 252693037 ADDHZWLTSYXUMP-RSLHCFLNSA-N 363.498 2.621 30 50 FFEA biogenic Cn1cc(N2CCC[C@@H](O/N=C/c3ccccc3C(F)(F)F)C2=O)cn1 170642547 DEDXABBOQCMKCH-XUMUCCENSA-N 366.343 2.985 30 50 FFEA COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O 2166843 YARKTHNUMGKMGS-LQGKIZFRSA-N 360.366 2.585 30 50 FFEA in-vitro Cc1cccc(/C(O)=N/[C@@H](CO)CN2CCCCC2)c1Br 330798999 IDVVXSIFUFOJEI-CYBMUJFWSA-N 355.276 2.909 30 50 FFEA CN(C)Cc1cc(O[C@@H]2CCN(CCOc3cccc(C#N)c3)C2)ccn1 886068726 LKNDRKPUMLMHTL-OAQYLSRUSA-N 366.465 2.547 30 50 FFEA Cc1nc([C@H]2OCC[C@H]2CNc2ccc(C(F)(F)F)c(C#N)n2)n[nH]1 888094470 SRPRFJOBJFFYHR-ZANVPECISA-N 352.320 2.588 30 50 FFEA COc1cccc(-c2nnc(S)n2/N=C/c2ccc(C(=O)O)cc2)c1 6848411 BMRDYAHWSMEBRD-VCHYOVAHSA-N 354.391 2.823 30 50 FFEA C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)NCc2nc(N)sc21 65462070 GAWCHMMLYFLUAC-GFCCVEGCSA-N 359.451 2.841 30 50 FFEA CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)CC1 253426245 DLSRHEKWAMDTPN-HDJSIYSDSA-N 360.458 2.947 30 50 FFEA N#Cc1ccc(C(=O)N(Cc2nccs2)[C@@H]2CC23CCNCC3)cc1 261697759 SSEVEFDSFQGLBW-MRXNPFEDSA-N 352.463 2.799 30 50 FFEA N#Cc1ccc(N2CC[C@H](N3CCO[C@H](c4cccc(C#N)c4)C3)C2=O)cc1 371292921 SGCFELMWHPBMCC-SFTDATJTSA-N 372.428 2.609 30 50 FFEA N#Cc1ccc(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)nc1 72480492 DOHPWVNISZLFPW-NRFANRHFSA-N 361.449 2.757 30 50 FFEA Cc1cc2ccccc2n1CCNC(=O)N1CCCn2nc(C#N)cc2C1 426651912 AJEXKTVTERGUFQ-UHFFFAOYSA-N 362.437 2.633 30 50 FFEA N#Cc1cccc([C@@H](C#CC2CCCCC2)N2CCN(CCO)CC2)c1 96132829 GJQCLLYQTNGSTK-JOCHJYFZSA-N 351.494 2.793 30 50 FFEA N#CC1(c2ccccc2)CCN(CC(=O)N2CCOc3ccccc32)CC1 244716255 LLUZWCXIZJAVIU-UHFFFAOYSA-N 361.445 2.969 30 50 FFEA C#CCOc1cc(C(=O)Nc2cccc(C(=O)N(C)C)c2C)ccc1OC 952959974 XPRNCBPIWIAFQY-UHFFFAOYSA-N 366.417 2.970 30 50 FFEA C=CCC(O)(CC=C)CNC(=O)CCc1nnc(Cc2cccc(C)c2)o1 12304365 PYAFSUZXGBJGKX-UHFFFAOYSA-N 369.465 2.901 30 50 FFEA CCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C#N)c1 12866294 CZZNXURJZHQNDX-UHFFFAOYSA-N 357.435 2.889 30 50 FFEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](N(C)Cc1nc(C)cs1)C2 14533678 IDHHNVDILRHZDM-CQSZACIVSA-N 373.526 2.525 30 50 FFEA C#CCCC1(CCC(=O)NCc2ccc(Cn3ccccc3=O)cc2)N=N1 2325886085 LIFDQOYMRXNEKR-UHFFFAOYSA-N 362.433 2.869 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 759581 HBXDWZUICJHBGK-UHFFFAOYSA-N 366.436 2.911 30 50 FFEA CC(C)c1cccc(N2CCN(Cc3cc(C#CCO)cs3)CC2)n1 67947533 PGMLNQAGLBRFQL-UHFFFAOYSA-N 355.507 2.933 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1ccc3nccnc3c1)CC2 91943761 JZQWOAGIWINMLL-UHFFFAOYSA-N 364.449 2.661 30 50 FFEA CC(C)(O)C#Cc1ccc(CN2CCC(O)(c3ccccn3)CC2)s1 670434346 PGTPNWFHKINWIM-UHFFFAOYSA-N 356.491 2.749 30 50 FFEA C=CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)OC 730193 WWDWLWXVVMFKTP-UHFFFAOYSA-N 370.434 2.856 30 50 FFEA O=[N+]([O-])c1ccc(OCCOc2ccccc2)c(/C=N/n2cnnc2)c1 2970848 FLRHBKAPYNRXJX-RGVLZGJSSA-N 353.338 2.526 30 50 FFEA N#Cc1cccnc1N1CCN(c2nccc(CCC(F)(F)F)n2)CC1 71415629 UBMGZBMTXBHWSH-UHFFFAOYSA-N 362.359 2.565 30 50 FFEA COc1cccc([C@@H]2O[C@@]3(C)OC(=N)[C@@](C#N)([C@H]3C)C2(C#N)C#N)c1OC 245310682 JSIXCCUXPRCOEI-MYBNSGEKSA-N 366.377 2.678 30 50 FFEA CN(C)/C=C\C(=O)[C@@H](Cc1c(F)cccc1Cl)C(=O)/C=C/N(C)C 250339927 KVZJOAJNYCILEU-JNJVWEPISA-N 352.837 2.927 30 50 FFEA COC[C@@H]1CCCN1C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@H]3C[C@@H]21 252462273 REILRXPTAKYZGI-FXKZTBAMSA-N 363.498 2.624 30 50 FFEA biogenic C=CCNCC[C@@H]1CCC(=O)N1Cc1cnn(-c2ccccc2OC)c1 299779856 QOMQPIDCHMZNBR-KRWDZBQOSA-N 354.454 2.538 30 50 FFEA N#Cc1ccc([C@@H](O)C(=O)NCCc2sccc2Br)cc1 1471565840 WJOBNEZWDRKHDX-CQSZACIVSA-N 365.252 2.775 30 50 FFEA N#Cc1ccccc1CN1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 91657218 NXWOFCVXSUUBSS-FUHWJXTLSA-N 352.463 2.638 30 50 FFEA COC[C@@H]1CCCN1C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]21 252462274 REILRXPTAKYZGI-JEOUVKQFSA-N 363.498 2.624 30 50 FFEA biogenic C=CCCC(=O)N1CCOc2c(cc(-c3ccc(OC)nn3)cc2OC)C1 11965887 CQABQLXMBKKBOL-UHFFFAOYSA-N 369.421 2.848 30 50 FFEA CN(C)[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1cccc(F)c1 91756777 WLRXLVYNEKKZFQ-HXUWFJFHSA-N 366.440 2.649 30 50 FFEA CN(C(=O)c1cccc(F)c1C#N)[C@@H]1CCN(c2ccccc2F)C1=O 188059175 PNERUAIBKMWRKC-QGZVFWFLSA-N 355.344 2.714 30 50 FFEA Cc1oc(C#N)cc1C(=O)N1C[C@H](c2n[nH]c(C(C)C)n2)[C@@H](C2CC2)C1 952848997 PRLARAQAGIZZFM-CVEARBPZSA-N 353.426 2.967 30 50 FFEA COC(=O)/C=C/CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 1875273185 DWQACAHASFWDQC-GQCTYLIASA-N 366.421 2.540 30 50 FFEA C#CCCC1(CCC(=O)N[C@H]2Cc3n[nH]cc3[C@H](C(F)(F)F)C2)N=N1 1875368835 RQPKFBJCXRMDHS-ZYHUDNBSSA-N 353.348 2.842 30 50 FFEA O=C(NCc1ccccc1)C1CCN(Cc2cc(C#CCO)cs2)CC1 216550626 LDFLZHLZMURNSC-UHFFFAOYSA-N 368.502 2.620 30 50 FFEA N#Cc1ccc(N2CC[C@H](N3CCO[C@@H](c4cccc(C#N)c4)C3)C2=O)cc1 371292918 SGCFELMWHPBMCC-LEWJYISDSA-N 372.428 2.609 30 50 FFEA CN1CCN([C@@H]2CCN(C(=O)c3cccc(-c4ccccc4C#N)c3)C2)CC1 426730260 BMLMPVPOZNHCFC-OAQYLSRUSA-N 374.488 2.687 30 50 FFEA C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)NC1=S 12343704 WVWLXSGWPMGOHI-UVTDQMKNSA-N 356.378 2.898 30 50 FFEA OC(=Nc1cnns1)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 330256177 KKHUWEGKYONRQB-WDEREUQCSA-N 358.345 2.910 30 50 FFEA N#Cc1cc(F)ccc1CN1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 375791063 NUAKEEHVGMPPRC-QZTJIDSGSA-N 361.417 2.567 30 50 FFEA COc1ccc2c(c1)OC[C@]1(CO)CN(Cc3ccccc3C#N)C[C@H]21 95506380 DDRCJZZKRRHGTA-TZIWHRDSSA-N 350.418 2.537 30 50 FFEA N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3C[C@@H](O)C3)c2)cc1 296798018 YHZGHIVSBQTRTN-HDICACEKSA-N 351.406 2.976 30 50 FFEA CCn1c(NC(=O)c2cc(C)nc3cc(C)nn23)nc2cc(C#N)ccc21 764513518 JUZLYLYFASIUIY-UHFFFAOYSA-N 359.393 2.840 30 50 FFEA O/C(CN1CCN(c2ccccc2F)CC1)=N\c1nnc(C2CC2)s1 19852592 UJMSQFWOEZLSIC-UHFFFAOYSA-N 361.446 2.965 30 50 FFEA CN1CC[C@H](N2CCC(/N=C(/O)Cc3c(F)cccc3Cl)CC2)C1=O 329054021 AMDVKHOQMIMDBP-INIZCTEOSA-N 367.852 2.673 30 50 FFEA Cc1cc(=N[C@H]2CC23CC(NC(=O)[C@H]2CCC2(C)C)C3)[nH]c(C)c1C#N 1875408344 TZMUVYAFBZLEOR-ARMXKFQOSA-N 352.482 2.877 30 50 FFEA CC(C)N1C[C@@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1=O 121143610 NCTXKRVYUZGIHS-HNNXBMFYSA-N 368.462 2.801 30 50 FFEA N#Cc1c(NCCNc2ncc(C(F)(F)F)cc2Cl)cc[nH]c1=O 20365378 UNASGWQHVZJWKX-UHFFFAOYSA-N 357.723 2.838 30 50 FFEA C=CCN(CC=C)C(=O)[C@@H]1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1 12036190 JZHXSPAIRNHAFV-ZDUSSCGKSA-N 373.478 2.827 30 50 FFEA N/C(=N/OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 18172990 RINNLBDFZOWRCO-UHFFFAOYSA-N 364.155 2.835 30 50 FFEA C#CCCC1(CCC(=O)N2CCc3c(C(=O)O)ccc(OC)c3C2)N=N1 952878135 AIXDBWDRRDSILJ-UHFFFAOYSA-N 355.394 2.634 30 50 FFEA Cc1cc(C#N)ccc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 178565519 AMQXWSPGXPAFDT-UHFFFAOYSA-N 355.419 2.659 30 50 FFEA COc1cccc2c1OC[C@H](NCc1ccc(C#Cc3cncnc3)cc1)C2 15065307 INFYYRHFHJKZKV-OAQYLSRUSA-N 371.440 2.978 30 50 FFEA CCNC(=O)Nc1cc(F)ccc1NS(=O)(=O)c1ccc(C#N)cc1 1875264080 DMTDDAWIEKEOTH-UHFFFAOYSA-N 362.386 2.640 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1cccc(OC)c1 8771359 ZWFNOZWOPRKQCV-KRWDZBQOSA-N 371.389 2.821 30 50 FFEA Cc1nc(C)n(CCCNC(=O)CC2=C(c3ccccc3)CCC2=O)n1 952990502 VSBNDNWLGJHPGU-UHFFFAOYSA-N 352.438 2.608 30 50 FFEA C=CCN1CCc2c(c(C(=O)OCC)nn2CCCc2cccnc2)C1 14755321 ZWGFRAUYLJBVOS-UHFFFAOYSA-N 354.454 2.632 30 50 FFEA Cc1cc(OC(=O)c2ccccc2)ccc1C#CC#CCN1CCOCC1 19639548 ZEXHDVBHCUCXMN-UHFFFAOYSA-N 359.425 2.901 30 50 FFEA C#CCCC1(CCC(=O)NC[C@@H]2[C@H](C(=O)OC)[C@@H]2c2ccccc2)N=N1 2325893495 RVNSVRXLBIENJI-JQHSSLGASA-N 353.422 2.661 30 50 FFEA C=CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C#N)cn3)cc2)CC1 65424974 NTXYVJMYUURKFD-UHFFFAOYSA-N 361.449 2.509 30 50 FFEA CCC1CCC2(CC1)N=C(O)N(C/C(O)=N/[C@H]1CCCSC1)C2=O 329145815 AHORORILKKOHCU-JZLYGMAVSA-N 353.488 2.934 30 50 FFEA OCC#Cc1ccc(CN2C[C@@H]3CC[C@H]2CN(Cc2ccncc2)C3)cc1 1565516997 YQZGLKTXXATESM-PKTZIBPZSA-N 361.489 2.522 30 50 FFEA C=CC(=O)Nc1ccc(C(=O)N[C@H]2[C@@H](C#N)CCC23CCOCC3)cc1 1875371149 QVFCSEHMHBITHY-QAPCUYQASA-N 353.422 2.640 30 50 FFEA N#Cc1cccnc1N1CCN(Cc2cccc(Cn3cccn3)c2)CC1 65463486 LQBWPPOLUMKAHD-UHFFFAOYSA-N 358.449 2.520 30 50 FFEA N#Cc1ccccc1N1CCN(C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 299796699 OGKXEGRCTOBCFS-SFHVURJKSA-N 360.461 2.733 30 50 FFEA CC(C)(C)OC(=O)NCCNc1cccc(B2OC(C)(C)C(C)(C)O2)c1 225094884 YTHSYKPLKRMZIP-UHFFFAOYSA-N 362.279 2.922 30 50 FFEA CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 95371444 CIRZWQDCZMHHNC-IBGZPJMESA-N 365.481 2.726 30 50 FFEA C[C@@H]1OCC[C@@]12CN(/C(O)=N/C[C@H]1CCO[C@@H]1c1ccccc1)CCO2 329988828 HNJAMVBCZNIHNI-ZCDKGFTFSA-N 360.454 2.558 30 50 FFEA C=CCOC(=O)N1CCC[C@H](NC(=O)c2cc(-c3csc(C)n3)c[nH]2)C1 1875332136 MHPREZGBHKTISR-AWEZNQCLSA-N 374.466 2.963 30 50 FFEA N#Cc1ccccc1-c1ccc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])o1 32690742 SQQZGLVXGBPHCU-ALCCZGGFSA-N 350.290 2.686 30 50 FFEA C=CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)N1CC=CCC1 67773882 FYUZNFZVAXQOLU-GOSISDBHSA-N 353.422 2.668 30 50 FFEA COC(=O)C[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1cccc(O)c1 217665154 OFGPIMVMKXKDKK-OAHLLOKOSA-N 352.342 2.930 30 50 FFEA biogenic C=CCN(C(=O)CC12CC3CC(CC(C3)C1)C2)[C@H]1CCS(=O)(=O)C1 55244780 SSDFRMUYBIRJKE-WCWCZOKXSA-N 351.512 2.795 30 50 FFEA CN(CCc1ccccn1)c1ncccc1CNC(=O)c1ccc(C#N)cc1 67675302 AVVGECGYTBKJFM-UHFFFAOYSA-N 371.444 2.957 30 50 FFEA N#Cc1cccnc1N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 72468299 TWFMGFWHDANQQQ-NRFANRHFSA-N 361.449 2.757 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(COC)s1)CC2 91390785 BYVPZKIRHWADAQ-UHFFFAOYSA-N 362.495 2.925 30 50 FFEA CO[C@H]1CCCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 594760892 VVZXFDCXSZEMOT-ZDUSSCGKSA-N 350.465 2.881 30 50 FFEA N#Cc1cccc(C(=O)N2C[C@H](Cc3ccc4ccccc4n3)[C@@H](O)C2)c1 1615965690 MOOFWSMBZKYSRD-RXVVDRJESA-N 357.413 2.782 30 50 FFEA C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 5094031 NRJBJFXHZFUEID-MHWRWJLKSA-N 353.787 2.951 30 50 FFEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F 19582798 HODXMUDWABFYCQ-SFHVURJKSA-N 368.408 2.966 30 50 FFEA N#Cc1ccc(N2CC[C@H](C(=O)N3CCCc4ncccc43)C2)c(F)c1 329254865 CMVCLHWJSDEHNH-HNNXBMFYSA-N 350.397 2.898 30 50 FFEA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2c(F)cc(C#N)cc2F)C3)n1 888098845 WPIOMGHQYFBNGK-SGTLLEGYSA-N 358.348 2.722 30 50 FFEA C#CCCC1(CCC(=O)N(C)C[C@@H]2CN(Cc3ccccc3)CCO2)N=N1 2325901200 XXHAOXBDIRLEQH-LJQANCHMSA-N 368.481 2.702 30 50 FFEA CN(C)c1cc(N/N=C\c2ccc(Br)cc2)nc(N(C)C)n1 32603789 ARZVUADQXJBWNE-YVLHZVERSA-N 363.263 2.817 30 50 FFEA C=C(C)COc1ccccc1C(=O)N1CCCn2nc([C@H](C)O)cc2C1 216964639 OWJCHVFQZDVSBV-HNNXBMFYSA-N 355.438 2.937 30 50 FFEA C=CCCCS(=O)(=O)N1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1 489891772 QORQTYFDSSPNBJ-HNNXBMFYSA-N 369.556 2.725 30 50 FFEA CC(C)(C)[C@@H](CNC(=O)[C@]1(C#N)CCCOC1)NC(=O)CCCC1CC1 1875332920 QTCVOEJUDFCKFL-UZLBHIALSA-N 363.502 2.534 30 50 FFEA CC(C)Cc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)cc1 32568421 BIUAGKYVSJYYNW-ODLFYWEKSA-N 360.435 2.926 30 50 FFEA C=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)NCCC)nc2c1=O 72407002 PJHNBCYLUPBTPA-UHFFFAOYSA-N 354.410 2.699 30 50 FFEA CCCNc1ncc(-c2cc(-c3ccc(OC)nc3)nc(N)c2C#N)cn1 71765116 JUJWRQYZQWWKDZ-UHFFFAOYSA-N 361.409 2.885 30 50 FFEA COCc1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)s1 219610559 JCNKNEPZYSZOQY-IAGOWNOFSA-N 372.446 2.732 30 50 FFEA Cc1nc(O)c(C#N)cc1C(=O)N(C)Cc1cnn(-c2ccc(F)cc2)c1 72462546 GBMVEISXPMOROX-UHFFFAOYSA-N 365.368 2.564 30 50 FFEA C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(O)(c2ccccc2)CC1 185902369 XGZJVNNTTZWDQW-INIZCTEOSA-N 350.418 2.836 30 50 FFEA N#Cc1ccc(CCC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 114309177 MUVASEXMVSAHAD-NRFANRHFSA-N 358.445 2.727 30 50 FFEA O=C(C[C@H]1S/C(=N/N=C/c2ccccc2)NC1=O)Nc1ccccc1 4755532 JECURSFHBDEZAI-IYSPOMMRSA-N 352.419 2.637 30 50 FFEA Cc1cc(/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)c(F)cc1F 328649810 VDHBZWWQMIIYGB-UHFFFAOYSA-N 352.381 2.905 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(C(=O)Nc1cccc(C#N)c1)CC2 91738410 FSAVJRQLKPZPFK-UHFFFAOYSA-N 352.438 2.981 30 50 FFEA Cc1noc([C@]23CCC[C@H]2CN(C(=O)Cc2ccccc2CC#N)C3)n1 888098572 ONNYXEVZXAUIBR-PXNSSMCTSA-N 350.422 2.567 30 50 FFEA C=CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccncc1 623103 JLKDPDJWANTFOY-UHFFFAOYSA-N 365.462 2.935 30 50 FFEA COc1ccc(/C(N)=N/OC(=O)COc2ccc(Cl)cc2)cc1OC 5077813 CJTDQYWOQAXXCN-UHFFFAOYSA-N 364.785 2.600 30 50 FFEA OCC#Cc1csc(CN[C@@H]2CCCN(Cc3ccccc3F)C2)c1 20780490 ZNSGUEHLTQHBFJ-GOSISDBHSA-N 358.482 2.985 30 50 FFEA CO[C@]1(C)C[C@H](N(C)/C(O)=N/Cc2ncnn2-c2ccccc2)C1(C)C 329979252 JENHSKKHZQVPMS-HNAYVOBHSA-N 357.458 2.817 30 50 FFEA C=CC[C@@]1(C(=O)NCCC2CC(O)C2)CCCN(C(=O)OC(C)(C)C)C1 1875278170 GAIJWLNOPUVOQA-ALLBUHFWSA-N 366.502 2.857 30 50 FFEA O=C(CO[C@@H]1C#CCCCCC1)Nc1cc2c(cc1Cl)NC(=O)CO2 2325797883 JVGMRSVUZCPYJF-LBPRGKRZSA-N 362.813 2.962 30 50 FFEA C#CCN1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 230086284 PFSLGUCLDZOBSE-APWZRJJASA-N 359.901 2.770 30 50 FFEA N#Cc1cc(I)cc(Br)c1C(=O)O 263623344 GRHQEUXOAFRIMM-UHFFFAOYSA-N 351.925 2.624 30 50 FFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(=O)OC)cc1 19536365 OUTDMSLBYKDQIA-QGZVFWFLSA-N 355.390 2.614 30 50 FFEA COc1ccc(CN2C[C@@H](NC(C)=O)CC[C@@H]2C(F)(F)F)cc1C#N 492670628 QXKLJMDFDJGCMF-GOEBONIOSA-N 355.360 2.598 30 50 FFEA COc1ccccc1-c1cc[n+](CC(=O)Nc2ccccc2C(C)=O)cn1 2529451 YWTWEHBKDQYYPX-UHFFFAOYSA-O 362.409 2.886 30 50 FFEA Cc1n(C)c(=O)c2ccccc2[n+]1CC(=O)N(c1ccccc1)C(C)C 2546724 ZJEGQJVSZVXXGH-UHFFFAOYSA-N 350.442 2.576 30 50 FFEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1Cc1ccc(OC)cc1 170008682 BULGIBNVUZDBEA-UHFFFAOYSA-N 371.242 2.631 30 50 FFEA CN(C)Cc1cc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2C)ccc1O 75941866 MWFZRQPEGBXABM-PBHICJAKSA-N 363.465 2.661 30 50 FFEA CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(OC(F)F)c1 193579140 OXTCHYZHUBQWTG-UHFFFAOYSA-N 359.332 2.757 30 50 FFEA CC1(C)CC(=O)C(=NNc2cc(C(N)=O)c(Cl)cc2Cl)C(=O)C1 15660033 VPEDDDHZGIVQTG-UHFFFAOYSA-N 356.209 2.818 30 50 FFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 19639015 LDVWJJUIDDKSJI-IBGZPJMESA-N 370.449 2.875 30 50 FFEA C#Cc1ccc(C(=O)NCCc2nc3ccc(C(=O)O)cc3[nH]2)cc1Cl 2325875302 MSIWMEPUMDMJBH-UHFFFAOYSA-N 367.792 2.868 30 50 FFEA Cc1cc(C)n(C)c(=O)c1C(=O)NCCc1c(C)[nH]c2ccc(C#N)cc12 67851734 XIGZZHVFMNUUDH-UHFFFAOYSA-N 362.433 2.636 30 50 FFEA COc1cc(OC)c(C(=O)CCC(=O)N2CCC(C)(C#N)CC2)cc1OC 218038138 JWXSURKOLWUYKZ-UHFFFAOYSA-N 374.437 2.828 30 50 FFEA CC(C)c1nnc([C@@H]2COCCN2C(=O)CCc2ccc(C#N)cc2)o1 328614921 XHLAAFBBNSXKRJ-INIZCTEOSA-N 354.410 2.597 30 50 FFEA N#Cc1ccnc(N2CCN(c3cccc(-n4cccc4)c3C#N)CC2)c1 2325867848 HJLMIADTFPCDJA-UHFFFAOYSA-N 354.417 2.942 30 50 FFEA C=CCc1cccc2cc(C(=O)NCc3c(C)nn(C)c3C)c(=O)oc12 6526202 UMUYCISCUFJSNA-UHFFFAOYSA-N 351.406 2.802 30 50 FFEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)/C(O)=N/C[C@H]1CCCCO1 328636906 VUELODNFOUYZAR-QWHCGFSZSA-N 374.407 2.879 30 50 FFEA C=CCNCC[C@H]1CCC(=O)N1Cc1cnn(-c2ccccc2OC)c1 299779862 QOMQPIDCHMZNBR-QGZVFWFLSA-N 354.454 2.538 30 50 FFEA C=CCOc1cc(Cl)c(CN2CCN3C(=O)OC[C@@H]3C2)cc1OC 820491545 BRITTXZPRGANKG-ZDUSSCGKSA-N 352.818 2.550 30 50 FFEA CC(C)(C)[C@H]1OCC[C@@H]1/C(N)=N/OCC(=O)NCCC1=CCCCC1 170613180 CPLHYNOEYBERMG-RDJZCZTQSA-N 351.491 2.733 30 50 FFEA C=CCNC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12090673 NDMMCQRXNXIBHA-IBGZPJMESA-N 363.408 2.675 30 50 FFEA C=C(C)CN(CC)C(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C 12327117 RKWBSKZQMJXGPF-UHFFFAOYSA-N 373.526 2.790 30 50 FFEA C=CCC(=O)N1CC[C@@]2(CCCN(Cc3cc(OC)ccc3F)C2=O)C1 12571652 UZFCHZIKOBVELK-FQEVSTJZSA-N 360.429 2.752 30 50 FFEA Cc1cc(N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)nc(C)c1C#N 2356143412 GSJHURVSKAKNFV-GOEBONIOSA-N 367.478 2.654 30 50 FFEA C=C(C)CN(C)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55369688 HEFQCNXHWRVGHY-UHFFFAOYSA-N 372.444 2.784 30 50 FFEA C[C@@H]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1n1ccnc1 245606383 NHLPPVCPTJANAW-KBMXLJTQSA-N 355.467 2.505 30 50 FFEA CCn1nccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SC)nn21 20607197 MZCYHIAOFTVAMH-CQSZACIVSA-N 358.471 2.875 30 50 FFEA CCc1cc(C#N)ccc1NC(=O)NC[C@H](O)c1cc(OC)cc(OC)c1 95505762 QYOMFSAYFCKIGJ-IBGZPJMESA-N 369.421 2.993 30 50 FFEA COc1ncc(-c2cc(-c3cc(CN(C)C)cs3)nc(N)c2C#N)cn1 71750014 AVDSBRAZOFGTNG-UHFFFAOYSA-N 366.450 2.791 30 50 FFEA C/C=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 5101802 AOBVVXCUKZEAQC-KNRRNSMISA-N 359.238 2.915 30 50 FFEA CN(C)c1nc2ccc(N=C(O)[C@H]3COCCN3C3CCCC3)cc2[nH]1 329265000 CCUGLKOCPMGHMW-QGZVFWFLSA-N 357.458 2.860 30 50 FFEA CN1CC[C@H](/N=C(/O)N2CCOc3cc(O)ccc3C2)[C@H]1c1ccccc1 329400517 XUSRGJISLLQPDO-AZUAARDMSA-N 367.449 2.946 30 50 FFEA CC(C)c1ccc(C#N)c(N2CCC3(CCC(=O)N(CCCO)C3)CC2)n1 92098517 JKZZLYLSCUYVDY-UHFFFAOYSA-N 370.497 2.668 30 50 FFEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccncc1 19884964 NDPNZZSIYWRFDE-MRXNPFEDSA-N 371.462 2.673 30 50 FFEA CN1C(=O)C[C@@H](CNC(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccccc1 375165771 LTPIPRTXKKKZML-LPHOPBHVSA-N 351.381 2.647 30 50 FFEA C#CCCC1(CCC(=O)N2CCC[C@@H](n3c(O)nc4cccnc43)C2)N=N1 2325893499 RXVGLXGMJKKNHD-CQSZACIVSA-N 366.425 2.656 30 50 FFEA N#Cc1nccnc1N1CCC[C@H](c2nn(-c3ccccc3)cc2C(=N)O)C1 328607300 VIFUAKWKADARCY-AWEZNQCLSA-N 373.420 2.801 30 50 FFEA C=CCn1c(S[C@H](CC)C(=O)NC(C)(C)C)nnc1C1CCNCC1 426424382 QWXGZFHZMWWBFY-CQSZACIVSA-N 365.547 2.717 30 50 FFEA Cc1ncsc1CCCNC(=O)N1CCN(c2ccccc2C#N)CC1 426431032 JKCLUGAGQAORFT-UHFFFAOYSA-N 369.494 2.788 30 50 FFEA CC1(C)CC(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC(C)(C)N1 287211527 UAGVVGNZJQWIAU-OAHLLOKOSA-N 372.488 2.949 30 50 FFEA N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@@H](c3cccc(O)c3F)C2)cc1 1875299810 XANYJMLUPRUOAP-DNVCBOLYSA-N 354.381 2.843 30 50 FFEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccco1 19927996 LONDGNMUQDZLJD-INIZCTEOSA-N 358.369 2.559 30 50 FFEA COc1cc(C)sc1/C(O)=N/C1CC(N(CC(=O)O)CC2CC2)C1 328629559 IIIAQSMGZFFYPV-UHFFFAOYSA-N 352.456 2.697 30 50 FFEA O=C(c1cnn(C/C(O)=N/C2CCCCC2)c1)N1CCc2ccncc21 329420198 HFFOBPVBZAEBTM-UHFFFAOYSA-N 353.426 2.770 30 50 FFEA Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(C#CC(C)(C)O)s2)CC1 670462638 PAHIYYUCKXOCEC-GOSISDBHSA-N 373.522 2.550 30 50 FFEA CN1CCN(C(=O)c2ccc(C#CC(C)(C)O)o2)[C@H](c2ccccc2)C1 1506424670 MFVFIBHDEAHNSP-SFHVURJKSA-N 352.434 2.531 30 50 FFEA C#CCCC1(CCC(=O)Nc2cccc(OCCn3cncn3)c2)N=N1 2325892280 HPRMRPVDYUFHQN-UHFFFAOYSA-N 352.398 2.651 30 50 FFEA C#CCCC1(CCC(=O)N2CCC[C@H](n3c(O)nc4cccnc43)C2)N=N1 2325893498 RXVGLXGMJKKNHD-AWEZNQCLSA-N 366.425 2.656 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)o1 65387890 KLTZYTSRQQIZOK-MRXNPFEDSA-N 355.438 2.684 30 50 FFEA Cn1nc(C2CC2)c2c1NC(=O)C[C@H]2c1ccc(C#CC(C)(C)O)s1 65404749 HLPCAMAFYJSKLL-ZDUSSCGKSA-N 355.463 2.956 30 50 FFEA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(c2ncc(Cl)c(C)c2C#N)C1 284532359 KZTZNRPLYCEGSY-RISCZKNCSA-N 358.833 2.877 30 50 FFEA CN(C)CCCn1ccnc1C1CCN(C(=O)c2ccccc2C#N)CC1 95362938 PPSKLWBSBFGEIT-UHFFFAOYSA-N 365.481 2.726 30 50 FFEA N#Cc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)c1 91677012 GTAMNDBCTMABAH-VQTJNVASSA-N 359.429 2.821 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)N2CCC(Oc3cccnc3)CC2)c1 952962440 BRCOTQFJQSYXGQ-UHFFFAOYSA-N 364.445 2.888 30 50 FFEA C=CCC(=O)N(CCOC)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 12093028 VDRLUXCZQHHVAH-SFHVURJKSA-N 356.510 2.917 30 50 FFEA Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)o1 19884683 FCESQUBFKOVFQR-MRXNPFEDSA-N 358.394 2.711 30 50 FFEA N#Cc1ccc(NC[C@H]2CCC3(CCC3)[C@@H]2NC(=O)c2cocn2)cn1 1875407729 GULBSZCJFGVZMF-CXAGYDPISA-N 351.410 2.732 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)NCc2noc(-c3ccccc3)n2)c1 65366199 CQDFNOMCLGUIEK-UHFFFAOYSA-N 361.401 2.789 30 50 FFEA N#Cc1c(N)nc2c(c1-c1ccc(OCc3ccccn3)cc1)CNCC2 72168661 AXOHMRCTMFDJNV-UHFFFAOYSA-N 357.417 2.822 30 50 FFEA COc1ccc(C#N)cc1CN1C[C@@H](CO)[C@H](c2cnn(C(C)C)c2)C1 299745531 QXKFEXREGGEGAS-OALUTQOASA-N 354.454 2.552 30 50 FFEA N#CC(CCOC(=O)C[C@H]1CCNC1=O)(c1ccccc1)c1ccccc1 884926558 ZVTHDVMSVCRHGA-QGZVFWFLSA-N 362.429 2.956 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)N2CCC(CN3CCCC3)CC2)c1 1506422253 QRAOCBWOFJFNRN-UHFFFAOYSA-N 354.494 2.757 30 50 FFEA COc1cc(Br)c([C@H]2NC(=O)NC(C)=C2C(C)=O)cc1OC 5064549 SZHANYXHBGVCCB-CQSZACIVSA-N 369.215 2.683 30 50 FFEA COc1ccc(C/C(N)=N/OC(=O)Cc2ccc(Cl)cc2)cc1OC 5720745 VULZJYHNOAHRQE-UHFFFAOYSA-N 362.813 2.958 30 50 FFEA Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1B1OC(C)(C)C(C)(C)O1 169905205 NOPYKVMGHVNISZ-UHFFFAOYSA-N 350.098 2.655 30 50 FFEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(C(=O)c2cccn2C)C1 1857736194 ZHKIVMZHRGZBEM-MRXNPFEDSA-N 353.422 2.837 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)N=N1 2325892305 IIAYYAGLWAQICD-FUHWJXTLSA-N 353.470 2.764 30 50 FFEA C#CCN1C(=O)[C@@](O)(CC(=O)c2ccc(-n3cccc3)cc2)c2ccccc21 1078368 IRLMZIOKUVVUQX-HSZRJFAPSA-N 370.408 2.918 30 50 FFEA CO/C(=N\[C@@H](NC(N)=S)C(Cl)(Cl)Cl)c1ccc(C)cc1 100297718 TYEHXYOJLURBQD-HLGUWXJESA-N 354.690 2.918 30 50 FFEA Cc1noc(C/N=C(/O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)n1 328604057 IHGHXNVCCAENFM-YOEHRIQHSA-N 371.372 2.937 30 50 FFEA C=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)NCC3CC3)nc2c1=O 72477249 ZUCKRUBZCSSZDI-UHFFFAOYSA-N 366.421 2.699 30 50 FFEA N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCc4ccccc4C3)CC2=O)c1 82099111 VZKALJOYMSCVSF-LJQANCHMSA-N 359.429 2.539 30 50 FFEA CN(C/C(O)=N/C1CCOCC1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328635334 NHDLXYJWROBFLW-LBPRGKRZSA-N 374.407 2.532 30 50 FFEA C#CCCC1(CCC(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)N=N1 2325892538 RCEGZYOFRRHCCN-XLIONFOSSA-N 369.465 2.911 30 50 FFEA C=CCOc1ccc(-c2c(C#N)c(N)nc3c2CNCC3)c(OCC=C)c1 72158515 TYQCHJRHEWBJII-UHFFFAOYSA-N 362.433 2.978 30 50 FFEA C[C@H](Cc1ccccc1)[n+]1c/c(=N\C(=N\Nc2ccccc2)N(C)C)o[nH]1 334159646 AKIMUKQHNWYDLE-MRXNPFEDSA-O 365.461 2.544 30 50 FFEA N#Cc1cccnc1N1CCN(C(=O)c2ccc([C@H]3CCCO3)s2)CC1 91645523 HISKMPUTOBCXHO-OAHLLOKOSA-N 368.462 2.829 30 50 FFEA CC[C@@](C)(C#N)C(=O)N1CCC(c2nccc(-c3cncnc3)n2)CC1 952894308 YYTIWLMZDLCJRD-IBGZPJMESA-N 350.426 2.579 30 50 FFEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1)c1ccco1 4334111 JDEZCXYYDFHWCS-KRWDZBQOSA-N 361.357 2.848 30 50 FFEA COc1ccccc1-n1c(SCC(=O)O)nnc1-c1cccc(C#N)c1 67820790 UADFEASYSIXVBP-UHFFFAOYSA-N 366.402 2.991 30 50 FFEA C[C@H]1CN(c2cccc(F)c2)CCN1S(=O)(=O)CC1(C#N)CCCC1 330218757 OXWPNLDOQSNSGK-HNNXBMFYSA-N 365.474 2.750 30 50 FFEA N#Cc1c(I)cc(Br)cc1C(=O)O 263624508 REHWGJGWRLOYGI-UHFFFAOYSA-N 351.925 2.624 30 50 FFEA CC(C)(CNc1ccc(C(F)(F)F)c(C#N)c1)N1CCS(=O)CC1 269669614 ZWFMQIPOHQYNBE-UHFFFAOYSA-N 359.417 2.832 30 50 FFEA COc1ccc(CN/C(=N\c2ccccc2)S[C@@H]2CC(=O)NC2=O)cc1 18010394 DXCHRTPJBRKGQE-MRXNPFEDSA-N 369.446 2.621 30 50 FFEA C=CCC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)c1cc3ccccc3c(O)n1)C2 2325878398 NZJSGHXGFZWNME-HOTGVXAUSA-N 365.433 2.722 30 50 FFEA C#CCCC1(CCC(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)N=N1 2325886366 SESLSUCFUJGKLI-ROUUACIJSA-N 355.438 2.833 30 50 FFEA C#CCCC1(CCC(=O)N2CCCC[C@@H]2c2n[nH]cc2C(=O)N(C)C)N=N1 2325886981 POANPSPQGQQUGG-OAHLLOKOSA-N 370.457 2.521 30 50 FFEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)CN1CCCCCC1=O 55099591 MBDHCWCCXMWIQB-UHFFFAOYSA-N 368.437 2.654 30 50 FFEA Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2sccc2C#N)cs1 328629295 IDAXCUNERRCQGI-JSGCOSHPSA-N 364.471 2.727 30 50 FFEA Cc1ccccc1N1CCN(C(=O)c2cc(C#N)c(O)nc2C)[C@@H](C)C1 77354819 XFMVYMZXOTYBSZ-AWEZNQCLSA-N 350.422 2.627 30 50 FFEA COCc1ccc(C(=O)N2CC(=O)N(c3ccccc3C#N)C[C@H]2C)s1 82100086 UAHZYYHURMRVQM-CYBMUJFWSA-N 369.446 2.644 30 50 FFEA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@@H]1C(O)=Nc1nccs1 329389289 QXKVYYGEAGTNAL-BFHYXJOUSA-N 367.471 2.696 30 50 FFEA C=CCn1ncc(CN2CCCN(C(=O)c3cncc(Cl)c3)CC2)c1C 1775981421 CYAYQJWQADIMLS-UHFFFAOYSA-N 373.888 2.774 30 50 FFEA Cc1ccccc1[C@H](C)CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 246782566 CLZDNFOGKRRRRP-IAGOWNOFSA-N 363.465 2.888 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H]2Cc3n[nH]cc3[C@@H](C(F)(F)F)C2)N=N1 1875368831 RQPKFBJCXRMDHS-JQWIXIFHSA-N 353.348 2.842 30 50 FFEA CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCC#N)cc1 4854835 MQKKIDDPIDRPBQ-KRWDZBQOSA-N 356.426 2.618 30 50 FFEA N#CC1(c2ccccc2)CCN(C(=O)c2cccc(-n3cnnc3)c2)CC1 91595608 ICACWOLCOAYAKM-UHFFFAOYSA-N 357.417 2.965 30 50 FFEA COc1ccccc1OCC#CCN1CCN(Cc2ccccc2)CC1 95326481 ZIIQDPHKGIWJSC-UHFFFAOYSA-N 350.462 2.895 30 50 FFEA C=CCN1C[C@@H](C)N(C(=O)c2ccc(-c3cncc(O)n3)cc2)C[C@H]1C 534667451 SXGIAAGHQILTOV-HUUCEWRRSA-N 352.438 2.570 30 50 FFEA CCOc1cc(C(=O)O/N=C(\N)c2ccncc2)cc(OCC)c1OCC 4178303 UHXCPZAZSFUTBZ-UHFFFAOYSA-N 373.409 2.755 30 50 FFEA Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)o1 19884210 CXYZDUZUGKGHDF-OAHLLOKOSA-N 360.435 2.789 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H]2CCOC[C@@H]2OCc2ccccc2)N=N1 2325886364 SESLSUCFUJGKLI-MSOLQXFVSA-N 355.438 2.833 30 50 FFEA O=C1Oc2cc([N+](=O)[O-])ccc2N/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1 100477011 OQWXWTWQIGDDET-MDWZMJQESA-N 355.262 2.601 30 50 FFEA C[C@H](/N=C(/O)[C@@H]1COCCN1C)[C@H](OC1CCOCC1)c1ccccc1 329002649 XUZSMEHFIHYAHL-SNRMKQJTSA-N 362.470 2.599 30 50 FFEA COCCCN1C[C@@]2(CCCN(c3nc(C)ccc3C#N)C2)CCC1=O 72439876 LAFJUENCBVIBRU-HXUWFJFHSA-N 356.470 2.507 30 50 FFEA CN(CCN(C)S(=O)(=O)c1ccc(C#N)cc1Cl)C1CCCC1 952982245 QWNLUAWWMALTGF-UHFFFAOYSA-N 355.891 2.707 30 50 FFEA C=CCn1cc(CN2C[C@@H]3CC[C@H]2CN(Cc2[nH]cnc2C)C3)c(C)n1 1073274512 YNNNFMBYLTWDDF-MJGOQNOKSA-N 354.502 2.505 30 50 FFEA C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCn3nc(C(=O)NC4CC4)cc3C1)C2 65468709 HHMNUURKLFVDCU-QKKBWIMNSA-N 368.481 2.500 30 50 FFEA CC(C)(O)C#Cc1ccc(CN2CCCN(C(=O)c3ccco3)CC2)s1 65372932 LLLBAVFGWHNIEX-UHFFFAOYSA-N 372.490 2.812 30 50 FFEA N#Cc1ccc(N2CC[C@@H](N3CCO[C@@H](c4cccc(C#N)c4)C3)C2=O)cc1 371292919 SGCFELMWHPBMCC-NHCUHLMSSA-N 372.428 2.609 30 50 FFEA N#Cc1ccc(C2CCN(C(=O)c3cc4c(s3)CCNC4)CC2)nc1 2325796051 PJEPDESYKPPEQR-UHFFFAOYSA-N 352.463 2.680 30 50 FFEA C=C(C)COc1cccc(C(=O)NCCc2nc(-c3cccnc3)n[nH]2)c1 55154427 GPGRFGLNXFHUJE-UHFFFAOYSA-N 363.421 2.794 30 50 FFEA Cc1cccc(N2C[C@H](C)N(C(=O)c3cc(F)cc(C#N)c3)CC2=O)c1 82137685 SACKPPXRZQNGFA-AWEZNQCLSA-N 351.381 2.883 30 50 FFEA Cc1c(CN2C[C@H](Cc3ccc4ccccc4n3)[C@@H](O)C2)cc(C#N)n1C 1615740354 SUXGGVHQWJDRKW-AVRDEDQJSA-N 360.461 2.789 30 50 FFEA COc1cc(C#N)ccc1OC[C@H]1CCCN(c2nccnc2OC)C1 1875243192 VOIMTSAARBYONR-HNNXBMFYSA-N 354.410 2.661 30 50 FFEA CCc1ccc(NC(=O)[C@@H](C)Sc2nc(CC)c(C#N)c(=O)[nH]2)cc1 5239000 NPSRKMQCWFXLNC-LLVKDONJSA-N 356.451 2.886 30 50 FFEA C=CCN(Cc1cccc(OC)c1)C(=O)c1ccc(Cn2cnnn2)cc1 55227257 ULBBVMLCLNRGIP-UHFFFAOYSA-N 363.421 2.558 30 50 FFEA COC(=O)CCn1cc(-c2cc(-c3cccc(C)c3)nc(N)c2C#N)cn1 67851605 RXLVGWYZCCPDMS-UHFFFAOYSA-N 361.405 2.938 30 50 FFEA OCCC#Cc1ccc(CN2CCN(c3nc4ccccc4o3)CC2)cc1 65383074 JPFCDWGVQTXZRE-UHFFFAOYSA-N 361.445 2.884 30 50 FFEA CS(=O)(=O)[C@@H]1CCCN(/C(O)=N/CCOC2CCCCCC2)CC1 328720721 QSPKQZJEIKEIDM-MRXNPFEDSA-N 360.520 2.539 30 50 FFEA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 72423270 UJQOKGKUMRKTEG-LJQANCHMSA-N 364.497 2.662 30 50 FFEA OCC#Cc1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)cc1 91746853 YQZGLKTXXATESM-XZOQPEGZSA-N 361.489 2.522 30 50 FFEA C=C(C)CN(C)Cc1ccc(OC)c(OC[C@H](O)CN(C)C(C)C)c1 12387585 LNOPUFLNMXLJNH-GOSISDBHSA-N 350.503 2.783 30 50 FFEA N#Cc1ccc([C@H](O)C(=O)N2CCC[C@H](c3cccc(O)c3F)C2)cc1 1875299812 XANYJMLUPRUOAP-KXBFYZLASA-N 354.381 2.843 30 50 FFEA COC[C@](C)(C#N)NC(=O)c1cc(I)cc(C)c1C 156193040 LAPPRQYNWWCAEN-AWEZNQCLSA-N 372.206 2.567 30 50 FFEA Cc1cc(-c2c(C#N)c(N)nc3c2C[C@@H](N)CC3)c(C)n1-c1cccnc1 71776328 VUJBPRGTSLCQHG-AWEZNQCLSA-N 358.449 2.821 30 50 FFEA C=CCc1cc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)ccc1OC 223031127 HLEMYEAJTYIRNM-LJQANCHMSA-N 358.482 2.751 30 50 FFEA C#CCCC1(CCC(=O)NC[C@H](Cc2ccccc2F)C(=O)OC)N=N1 2325892202 DUBFOCGZQHPWAM-HNNXBMFYSA-N 359.401 2.629 30 50 FFEA N#Cc1ccc(C(=O)N2CCOc3c(O)cc(-c4cccnc4)cc3C2)cn1 67894590 JZDYETMNJUXMKX-UHFFFAOYSA-N 372.384 2.756 30 50 FFEA CN(C)c1nc2ccc(N=C(O)[C@@H]3COCCN3C3CCCC3)cc2[nH]1 329264999 CCUGLKOCPMGHMW-KRWDZBQOSA-N 357.458 2.860 30 50 FFEA Cc1nc(-c2ccc(C(=O)NCC(=O)NC3CC3)cc2)c(C#N)c(C)c1C 584901767 ARLSIBIUQPJCGE-UHFFFAOYSA-N 362.433 2.554 30 50 FFEA C=CCNCC[C@@H]1CCC(=O)N1Cc1cnn(-c2cccc(OC)c2)c1 12330311 YCTDXDFRUZPHNY-KRWDZBQOSA-N 354.454 2.538 30 50 FFEA C#CCCC1(CCC(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)N=N1 952881717 MNKPGOCACAGRLF-INIZCTEOSA-N 354.454 2.993 30 50 FFEA N#Cc1ccc(N2CCC(C(=O)NCc3cccc(C(F)F)n3)CC2)nc1 1875310698 YWZWGLAWOZAZEV-UHFFFAOYSA-N 371.391 2.819 30 50 FFEA CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCC#N)cc1 4854834 MQKKIDDPIDRPBQ-QGZVFWFLSA-N 356.426 2.618 30 50 FFEA N#Cc1ccccc1C(=O)N1CCC(Oc2ccccc2)(C(=O)O)CC1 72410521 JSCBHUQHMYCIEV-UHFFFAOYSA-N 350.374 2.697 30 50 FFEA N#Cc1ccc(N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)nc1 72475891 HBRTXGXTFMAASD-OAQYLSRUSA-N 361.449 2.757 30 50 FFEA O=C(O/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 12957509 VWXKTDNUMNEURA-NDENLUEZSA-N 373.340 2.761 30 50 FFEA N#Cc1ccc(-c2ccc(C(=O)NCCN3CCNCC3)cc2)cc1Cl 426371209 UEDPCJCQFFXPSH-UHFFFAOYSA-N 368.868 2.514 30 50 FFEA C=CCCC(=O)N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 96136308 FSOSWXLTRUQCFA-UHFFFAOYSA-N 354.458 2.530 30 50 FFEA C=C(C)COc1cccc(NC(=O)N2CCN(Cc3nccn3C)CC2)c1 96139305 PUUHKWHRJFFAQY-UHFFFAOYSA-N 369.469 2.725 30 50 FFEA COC(=O)c1cc(C#N)cc(Br)c1I 263624072 NDMKQUZAKVSCBV-UHFFFAOYSA-N 365.952 2.712 30 50 FFEA N#Cc1ccc(NC[C@@H]2CCC3(CCC3)[C@H]2NC(=O)c2cocn2)cn1 1875407731 GULBSZCJFGVZMF-GUYCJALGSA-N 351.410 2.732 30 50 FFEA N#CC(CCOC(=O)C[C@@H]1CCNC1=O)(c1ccccc1)c1ccccc1 884926557 ZVTHDVMSVCRHGA-KRWDZBQOSA-N 362.429 2.956 30 50 FFEA C#CC1(OC[C@H](O)CN2CCN(c3ccccc3F)CC2)CCCCC1 12342640 UXUBEUMTKHWTPC-GOSISDBHSA-N 360.473 2.661 30 50 FFEA C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 1161743 JXPVSVSHBMGRAE-LJQANCHMSA-N 352.346 2.588 30 50 FFEA CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1OC 105227931 MJKLNCOKKURFGN-YUUNAMAGSA-N 366.417 2.625 30 50 FFEA CC(=O)c1cccc(C(=O)N2CC(=O)N(c3ccc(C#N)cc3)C[C@H]2C)c1 82087582 XUZHONKTPDDHNU-CQSZACIVSA-N 361.401 2.638 30 50 FFEA N#Cc1ccc(-c2ccc(C(=O)NCCN3CCCC[C@H]3CO)cc2)cc1 426734156 SKHDZIWCNAIJAR-NRFANRHFSA-N 363.461 2.802 30 50 FFEA CO[C@@H]1CCCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 594760890 VVZXFDCXSZEMOT-CYBMUJFWSA-N 350.465 2.881 30 50 FFEA CCCc1nc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)cs1 1565514706 QBJHEUZIYDSCKN-RDJZCZTQSA-N 371.462 2.934 30 50 FFEA O=C1C(Cl)=CC(=NS(=O)(=O)c2ccccc2)C=C1Br 1857666361 KSEVDEPQKVOEAT-UHFFFAOYSA-N 360.616 2.801 30 50 FFEA C[C@@H]1OCC[C@]12CN(/C(O)=N/C[C@H]1CCO[C@@H]1c1ccccc1)CCO2 329988827 HNJAMVBCZNIHNI-MMTROXRISA-N 360.454 2.558 30 50 FFEA N#Cc1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c(=N)c1/N=C/c1ccco1 100406777 MVCKQPVAXSGFIZ-XVIBJPGCSA-N 373.294 2.879 30 50 FFEA C=CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 2990101 MWRSSHLXGNLXGF-UHFFFAOYSA-N 374.462 2.583 30 50 FFEA CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)S/C(=C\N(C)C)C1=O 3902506 DMSIIFIHBRVRGG-XFXZXTDPSA-N 363.395 2.500 30 50 FFEA N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)CCN2 414903049 LJJQDZXNDDRDPM-AZUAARDMSA-N 374.444 2.891 30 50 FFEA CN1CCC[C@@]2(CCN(C(=O)CC3=C(c4cccs4)CCC3=O)C2)C1=O 67676119 DMXIVOQVBDLVPQ-FQEVSTJZSA-N 372.490 2.726 30 50 FFEA O/C(=N/CC[C@@H]1CCCO1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 328631435 QXNZEVJHJCQTRA-DLBZAZTESA-N 374.485 2.618 30 50 FFEA O=C1c2ccccc2OC[C@@H]1/N=C(/O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 328619443 VYFXFCMAEYFWPB-RBQFQAMWSA-N 355.312 2.943 30 50 FFEA N#Cc1ccc(CN2CC[C@]3(CCCN(C4CCOCC4)C3=O)C2)cc1 91548212 IFVRCWDLRFLTMZ-OAQYLSRUSA-N 353.466 2.552 30 50 FFEA Cc1ncsc1CCC(=O)N[C@H]1COCC[C@@H]1Oc1ccc(C#N)cc1 1565514035 XJHOFERFGSEIOD-IRXDYDNUSA-N 371.462 2.609 30 50 FFEA C#CCCC1(CCC(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)N=N1 952879747 HCDCUCLMGBIQII-MRXNPFEDSA-N 358.829 2.695 30 50 FFEA N#Cc1ccc(OC2CCN(C(=O)[C@@]34CCCN(CC3)C4)CC2)c(F)c1 897744520 UDSFMBDOQRODRX-FQEVSTJZSA-N 357.429 2.553 30 50 FFEA N#C[C@@H]1CCCN(Cc2cccc(OCCCCN3CCOCC3)c2)C1 215114960 NOOJAJKJPOASHD-FQEVSTJZSA-N 357.498 2.913 30 50 FFEA CN(C)P(=N[P@+]1(NC(C)(C)C)NCCCN1C)(N(C)C)N(C)C 71771927 SDSPQCWIJHBQQU-JOCHJYFZSA-N 366.455 2.608 30 50 FFEA CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(C#N)cc1 5490064 NRPRLQDRXRBNQR-CQSZACIVSA-N 364.430 2.928 30 50 FFEA CC1(C)CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H]1[C@H]1CCCO1 377920506 NKXXNFJVJSOROL-CABCVRRESA-N 354.859 2.790 30 50 FFEA CCN1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(OC)c(C#N)c3)C2)[C@H]1C(C)C 922392590 DYJCLKSSUIFDMU-UKAVVXHISA-N 357.498 2.526 30 50 FFEA COC1(OC)[C@@H](C=Cc2ccc(Cl)cc2)C(C#N)(C#N)C1(OC)OC 1857795375 WTXBTYXCVPLYNX-HNNXBMFYSA-N 362.813 2.995 30 50 FFEA COc1ccc([C@H]2C[C@H]2c2nc(C#N)c(N3CCCN(C)CC3)o2)cc1 1857798732 MCASJBAYUPORNU-IAGOWNOFSA-N 352.438 2.968 30 50 FFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCC 716031 YKVFPXJTTJBBLM-MRXNPFEDSA-N 357.406 2.940 30 50 FFEA Cc1ccc(S(=O)(=O)N2CCC(Nc3cc(C#N)cc(C)n3)CC2)cc1 225816628 GXVWCTRZZUIJCB-UHFFFAOYSA-N 370.478 2.835 30 50 FFEA CN(C)c1n[nH]c(C2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)n1 285583772 KRMGGIYSSXGMNI-UHFFFAOYSA-N 365.363 2.540 30 50 FFEA C[C@]1(C#N)CCCN(C(=O)NC2CCN(Cc3cccc(O)c3)CC2)C1 534590136 JOURZUOMGUGMTN-HXUWFJFHSA-N 356.470 2.692 30 50 FFEA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(C#N)cc3)C1)CC2 2356154696 GOSYUECSHZWMSN-NRFANRHFSA-N 361.449 2.534 30 50 FFEA Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=N/n2cnnc2)c1 2969593 ZDXAFPIHEGXSMI-SRZZPIQSSA-N 367.365 2.835 30 50 FFEA N#Cc1ccc(OC2CCN(C(=O)NCc3ccc(F)cn3)CC2)c(F)c1 499580043 GGGYIXFRMDLKSZ-UHFFFAOYSA-N 372.375 2.984 30 50 FFEA C=CCN1CCC(Nc2nn3c(C(F)(F)F)nnc3c(C)c2C)CC1 269379729 OZIVBNWRMUSQDP-UHFFFAOYSA-N 354.380 2.822 30 50 FFEA CS[C@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 170640629 CTHTVVJAVGMOFI-HOTGVXAUSA-N 366.508 2.778 30 50 FFEA C=CCN(CC=C)C(=O)CCc1nnc(CCc2ccc(OC)cc2)o1 11843197 HAMZILJJFZUQBS-UHFFFAOYSA-N 355.438 2.997 30 50 FFEA C=CCNCc1ccc(OC)c(OC[C@H](O)CN(C)Cc2ccccc2)c1 12597575 KGSHYXDLPHBWAC-HXUWFJFHSA-N 370.493 2.843 30 50 FFEA COCc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(Oc3ccccc3)cc2)n1 15985600 HEIUVWXGUHFISP-UHFFFAOYSA-N 365.393 2.767 30 50 FFEA N=C(N/N=C/c1cc(Cl)ccc1O)N/N=C/c1cc(Cl)ccc1O 1695742 IGWAWNDBEPRQQY-OKXCLTPOSA-N 366.208 2.887 30 50 FFEA CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328635694 NOZWBECBCHLSSJ-OXJNMPFZSA-N 355.461 2.946 30 50 FFEA C=CCN(c1ccc(C(=O)NCc2ccc(OC)cc2)cc1)S(C)(=O)=O 2875924 GDCCEYXRSSWAIM-UHFFFAOYSA-N 374.462 2.577 30 50 FFEA OCC[C@H]1CN(CC#Cc2ccccc2)CCN1Cc1ccc(F)c(F)c1 20992757 BCJNNILRRGVKGY-FQEVSTJZSA-N 370.443 2.885 30 50 FFEA C=CCn1nc(C)c([C@H]2CC(=O)Nc3cc(NS(C)(=O)=O)ccc32)c1C 65421269 AKAWTRREPBQOQJ-HNNXBMFYSA-N 374.466 2.532 30 50 FFEA CCN1CCC[C@@H](CN(C)CC(O)=Nc2cc(C)no2)[C@@H]1c1cnn(C)c1 328627613 GILZXZGDDFMJQH-HNAYVOBHSA-N 374.489 2.710 30 50 FFEA CC(C)(O)C#Cc1ccc(CN2CCCN(Cc3ccncc3)CC2)s1 952979023 SRCQSJBWZWPREN-UHFFFAOYSA-N 369.534 2.973 30 50 FFEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCCSC)C2 14534508 CDSLEGNKZCUTOR-OAHLLOKOSA-N 362.543 2.505 30 50 FFEA C=CCNC(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 15067035 JZYPXWRJOYNOPW-HXUWFJFHSA-N 355.526 2.708 30 50 FFEA C=C[C@H]1OCC[C@@H]1C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 1857532954 CULMVNOGHSMVMH-RCCFBDPRSA-N 356.466 2.682 30 50 FFEA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(O)=Nc1ccc(F)cn1 328630695 QESNEADALQGUCN-SUMWQHHRSA-N 360.437 2.515 30 50 FFEA COCc1cc(C)nc(S[C@H]2CC(=O)N(c3ccccc3)C2=O)c1C#N 101071907 NNWWUIBRWWNDSL-INIZCTEOSA-N 367.430 2.832 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@@H](OCc3cccnc3)C2)o1 215094866 PYIZUKFDWWWVKM-GOSISDBHSA-N 368.433 2.618 30 50 FFEA CS(=O)(=O)[C@H]1CCCN(/C(O)=N/CCOC2CCCCCC2)CC1 328720720 QSPKQZJEIKEIDM-INIZCTEOSA-N 360.520 2.539 30 50 FFEA CN(C)C[C@@H]1COCCN(C(=O)c2cccc(-c3ccccc3C#N)c2)C1 426621531 BLLFIAXKLRIOIY-KRWDZBQOSA-N 363.461 2.875 30 50 FFEA N#Cc1ccc(S(=O)(=O)NCc2n[nH]c3c2CCCCC3)c(Cl)c1 670448957 QDRPVGWSESCSOZ-UHFFFAOYSA-N 364.858 2.682 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)NC[C@H]2CCN(C3CCCC3)C2)c1 1506412285 BNBNEZRZKXKEBA-GOSISDBHSA-N 354.494 2.803 30 50 FFEA O=c1c(/C=N/Cc2cccnc2)c(NCc2cccnc2)nc2ccccn12 1091467 OZSVRVJYGOLJBX-BUVRLJJBSA-N 370.416 2.716 30 50 FFEA C#CCN(C(=O)[C@H]1CCC(=O)N(Cc2ccccn2)C1)C1CCCCC1 12304734 BWHWHUXSOHUECS-KRWDZBQOSA-N 353.466 2.615 30 50 FFEA COc1ccccc1C(=O)[C@H]1CCCN(C(=O)C2=CC(=O)CC(C)(C)O2)C1 12587383 CDUUQEIXJYCLIY-AWEZNQCLSA-N 371.433 2.768 30 50 FFEA CN(C)Cc1cc(O[C@H]2CCN(CCOc3ccccc3C#N)C2)ccn1 886068781 QXXGPIHSQXWZIC-FQEVSTJZSA-N 366.465 2.547 30 50 FFEA C#CCCC1(CCNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)N=N1 2325891360 BHRZFRUXTVDYID-HNNXBMFYSA-N 353.401 2.605 30 50 FFEA N#Cc1cc(I)ccc1I 4014186 SXOHPRPFFZRIJO-UHFFFAOYSA-N 354.916 2.767 30 50 FFEA N#C[C@]1(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CCSC1 225552887 IFVSNWYDYFJBEA-CQSZACIVSA-N 368.340 2.884 30 50 FFEA C#C[C@@](C)(CC)NC(=O)c1nn2cc(Br)cnc2c1Cl 1423359 PREJJUCZWQXQEO-ZDUSSCGKSA-N 355.623 2.677 30 50 FFEA CCN1CCC[C@H]1CNC(=O)CCC1CCN(c2ccc(C#N)cn2)CC1 95519823 XRTBREZPKDBKKN-IBGZPJMESA-N 369.513 2.550 30 50 FFEA N/C(=N\OC(=O)c1cc(Br)ccc1Cl)c1ccncc1 5060105 NIZVULFNGVWBRV-UHFFFAOYSA-N 354.591 2.975 30 50 FFEA CCN1C(=O)[C@@](O)(CC(=O)/C=C\c2ccc3c(c2)OCO3)c2ccccc21 16185299 MVYYHXDGYFFMIB-XYBJCVHJSA-N 365.385 2.642 30 50 FFEA N#Cc1ccc(N2CCC[C@@H](NCc3cccc(C(N)=O)c3)C2)c(F)c1 109351992 PPMSZHSOWFBKKW-QGZVFWFLSA-N 352.413 2.555 30 50 FFEA CN(C)C[C@]1(O)CCCN(C(=O)c2ccc(-c3cccc(C#N)c3)cc2)C1 426683782 IRGIZANPPOIZNJ-JOCHJYFZSA-N 363.461 2.754 30 50 FFEA C[C@]12C[C@H](O)[C@@]3(F)[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21OCC1=O 257357407 NVDNCLODVOXYKU-FFICGRQZSA-N 362.441 2.919 30 50 FFEA Cn1ccc([C@H](N/C(O)=N/[C@H]2CCCC[C@@H]2O)c2ccc(Cl)cc2)n1 330279067 QMBDMWWMBAZBRP-BHYGNILZSA-N 362.861 2.970 30 50 FFEA COc1cc(C#N)ccc1OCC(=O)N1CC[C@H](Oc2ccccc2)C1 363410548 GOVOEMQESWDEBH-KRWDZBQOSA-N 352.390 2.626 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)N=N1 2325892711 YEXCTPNUDNQSQW-QGZVFWFLSA-N 368.437 2.899 30 50 FFEA CCn1nccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2nc(SC)nn21 20607199 MZCYHIAOFTVAMH-AWEZNQCLSA-N 358.471 2.875 30 50 FFEA OC[C@H](CN1CCCCC1)/N=C(/O)c1cc(F)cc(Br)c1 330606504 KNYCAWHPDRMJCV-AWEZNQCLSA-N 359.239 2.740 30 50 FFEA C#CC1(OC[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCCCC1 12419861 WQHUJXMQMAMHMD-FQEVSTJZSA-N 372.509 2.531 30 50 FFEA C#CCCC1(CCNC(=O)c2cnn(-c3ccncc3)c2C(F)F)N=N1 2325891181 WARUUNNPJGQPSR-UHFFFAOYSA-N 358.352 2.900 30 50 FFEA C#CCCC1(CCC(=O)N2CC[C@@H](Cc3nc(C)c(C(=O)O)s3)C2)N=N1 2325900388 WPGMAMZCKSIIPJ-ZDUSSCGKSA-N 374.466 2.896 30 50 FFEA N=C(O)c1cnn2c1C[C@H](C/N=C(/O)c1ccc(OCC3CC3)nc1)CC2 328603515 GHQAWFWFCXWYGS-CYBMUJFWSA-N 369.425 2.517 30 50 FFEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2nc(C(C)(C)C)ns2)C1 328610785 JCMRGNJRILNPTP-HNNXBMFYSA-N 350.448 2.609 30 50 FFEA C=CCCC(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 82134259 AAYLOAFGBKPAET-NRFANRHFSA-N 355.482 2.822 30 50 FFEA COc1cccc(C)c1C(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C#N)cc1 1565513546 XVVLMMCYYVYRTM-HKUYNNGSSA-N 366.417 2.842 30 50 FFEA C=CCNC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12090675 NDMMCQRXNXIBHA-LJQANCHMSA-N 363.408 2.675 30 50 FFEA N#Cc1ccc(O[C@H]2CCN(C(=O)CCc3ccc(F)cc3F)C2)nc1 370667859 QLEYPSCCTIJNBZ-INIZCTEOSA-N 357.360 2.844 30 50 FFEA Cc1cocc1C(=O)N[C@@H]1CC[C@@H]2CN(c3ccncc3C#N)C[C@@H]2C1 1875339057 UYNJDNGTRQCTLY-HLLBOEOZSA-N 350.422 2.890 30 50 FFEA Cc1ccc(C)c(S(=O)(=O)/N=C(/c2ccccc2)N2CCOCC2)c1 100831603 PKDLZXAEDVCOPI-VXPUYCOJSA-N 358.463 2.771 30 50 FFEA COc1nccc(N2CCC[C@@](CO)(Cc3ccccc3F)C2)c1C#N 67789131 MPFDRZUBFAYSCI-HXUWFJFHSA-N 355.413 2.923 30 50 FFEA CC(C)c1nc(CN(C)/C(O)=N/c2nc(-c3ccccc3F)n[nH]2)no1 23153687 CITUJHFJRLTCGW-UHFFFAOYSA-N 359.365 2.795 30 50 FFEA CC(C)CN1CCc2[nH]cnc2C12CCN(Cc1c[nH]c(C#N)c1)CC2 91988161 OXZSTTRFIZTDHA-UHFFFAOYSA-N 352.486 2.615 30 50 FFEA CCC#CCN1C[C@H]2CN(C(=O)COCC)C[C@]2(CCc2ccccc2)C1 1772708165 DKYBOYAWXFRBEL-GMAHTHKFSA-N 368.521 2.830 30 50 FFEA Cc1ccccc1NC(=O)C[C@H]1S/C(=N/c2ccc(O)cc2)NC1=O 12338840 RKUWCNXWGUDJSU-OAHLLOKOSA-N 355.419 2.949 30 50 FFEA COc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)c(OC)c1OC 19771326 LJGNYSMRPNCQDB-PXLXIMEGSA-N 369.465 2.864 30 50 FFEA Cc1ccc(S(=O)(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 5008736 CCVKYXMPAGPKPM-CXUHLZMHSA-N 353.787 2.869 30 50 FFEA COc1cnc(N/C(O)=N/[C@H]2CCCN(C3CCCCC3)C2=O)s1 329238009 KTELCAYZVIWZNW-LBPRGKRZSA-N 352.460 2.801 30 50 FFEA COc1ccc([C@H](NS(=O)(=O)c2ccc(C#N)nc2)C(F)(F)F)cc1 180744698 FXFKXTSYECCSTL-AWEZNQCLSA-N 371.340 2.544 30 50 FFEA C/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S1)C(C)C 5563162 TVOGTZZDJQYQEY-NPNVKNKFSA-N 350.419 2.774 30 50 FFEA CC[C@H](Oc1ccccc1)C(=O)O/N=C(\N)c1ccc(OC)c(OC)c1 4986129 AIYZEGQKZALNEX-HNNXBMFYSA-N 358.394 2.725 30 50 FFEA C#CCCC1(CCNC(=O)c2ccc(OCc3nccn3C)cc2)N=N1 2325891237 ZWXXWUKJPAKHJT-UHFFFAOYSA-N 351.410 2.695 30 50 FFEA CC(C)(O)[C@H]1CCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 376114476 JMPWTSSYIVDNPY-GOSISDBHSA-N 359.445 2.676 30 50 FFEA Cc1cccc(CN2CCN(Cc3cc(C#CCO)cs3)[C@@H](C)C2=O)c1 828644617 MJGICCUREJXVRQ-KRWDZBQOSA-N 368.502 2.633 30 50 FFEA C[C@H](C(=O)NS(C)(=O)=O)c1ccc(-c2cccc(F)c2C#N)c(F)c1 1875384861 XUWQDPSBLIQMJN-JTQLQIEISA-N 364.373 2.683 30 50 FFEA N#Cc1cccc([C@@H](NC(=O)C2CC(O)(CN)C2)c2ccc(Cl)cc2)c1 1875319701 OJGHQJTWZWJDKL-IPCDKGFNSA-N 369.852 2.517 30 50 FFEA N#Cc1ccc(OCC(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)cc1 4866675 RAUHRSFCKJQRDR-XJKSGUPXSA-N 367.327 2.576 30 50 FFEA C=CCN(CC#Cc1ccccc1)C(=O)CCn1cnc2ccccc2c1=O 55401915 ALUNNBWAABHQAA-UHFFFAOYSA-N 371.440 2.853 30 50 FFEA COc1cc(Cl)cc(-c2c(C#N)c(N)nc3c2C[C@@H](N)CC3)c1OC 71754270 WQFVYDNBPIMZNV-JTQLQIEISA-N 358.829 2.689 30 50 FFEA CC(C)[C@H]1COC(=O)N1CC(=O)N1CCC(c2cccc(C#N)c2)CC1 95531051 DLMNPJSBCIOSTO-GOSISDBHSA-N 355.438 2.741 30 50 FFEA N#CC1CCN(Cc2ccccc2OC[C@H](O)CN2CCCCC2)CC1 95504458 KGOGFPUWZRTGDI-HXUWFJFHSA-N 357.498 2.648 30 50 FFEA CCCS(=O)(=O)N1CCC(Nc2ncc(C#N)c3ccsc23)CC1 865440554 JFVAZGOGQOPGHW-UHFFFAOYSA-N 364.496 2.784 30 50 FFEA Cn1ccc(N2CCC[C@H](O/N=C/c3ccccc3C(F)(F)F)C2=O)n1 170642543 IHYUFMSHDNTTAB-FVUPAENESA-N 366.343 2.985 30 50 FFEA C[C@@H](Oc1cccc(Cl)c1)C(=O)O/N=C(\N)c1ccc([N+](=O)[O-])cc1 4986364 RICBOGMYMKEWHU-SNVBAGLBSA-N 363.757 2.879 30 50 FFEA CCS(=O)(=O)c1ccc2c(c1)NC(=CC(=O)c1cccs1)C(=O)O2 2083176135 MQONYJDSUQOHNU-UHFFFAOYSA-N 363.416 2.639 30 50 FFEA C#CCCC1(CCC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)N=N1 2325892714 YKMGBWGZOVLGNS-UHFFFAOYSA-N 360.421 2.931 30 50 FFEA N#Cc1ccc(NC(=O)CN2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1Cl 248358737 RCUHZPBHARPVAD-YZVOILCLSA-N 372.900 2.956 30 50 FFEA O=C1[C@H](/N=C(/O)N2CCCCO2)CCCN1c1ccc(OC(F)F)cc1 328714764 SNZHXZKPASHWGX-CQSZACIVSA-N 369.368 2.725 30 50 FFEA Cc1ccccc1N1CC[C@H](CNC(=O)c2ccc(C#CC(C)(C)O)o2)C1 670457476 WZJTUJSMZFKVNP-QGZVFWFLSA-N 366.461 2.967 30 50 FFEA COc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccc(F)cc3)S2)cc1 1221193 SUISFERHVPBWFB-MBTVCVBTSA-N 357.410 2.999 30 50 FFEA CCOC(=O)[C@@H](C)Sc1nc(O)c(C#N)c(-c2ccc(OC)cc2)n1 18247554 PINDRGDWTAEMKF-SNVBAGLBSA-N 359.407 2.773 30 50 FFEA O=C(O)COc1ccc(Br)cc1/C=N/Nc1ccccn1 4982579 GMFYYSUEPKYPRH-CAOOACKPSA-N 350.172 2.754 30 50 FFEA C=CCN(C(=O)c1cc(C)nc2ccc(C)cc12)[C@H]1CCS(=O)(=O)C1 65383640 XVEIRMGIWXUQRU-HNNXBMFYSA-N 358.463 2.667 30 50 FFEA CCN1CCC[C@@H](CN(C)/C(O)=N/Cc2ccoc2)[C@@H]1c1cnn(C)c1 328634875 UJKVRPMETPDIBP-FUHWJXTLSA-N 359.474 2.832 30 50 FFEA N#Cc1ccsc1C(=O)N1CCC[C@H](Cc2nnc3ccccn23)C1 370695627 BWJRHEKDHFVOFW-CYBMUJFWSA-N 351.435 2.757 30 50 FFEA C=CCN1[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N[C@@H]2CCCC[C@H]21 239212623 TVERLAUBMYZBFH-BRWVUGGUSA-N 361.873 2.966 30 50 FFEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N(C)Cc1ccco1)C2 14747633 NNCJMYRTQQSCQX-MRXNPFEDSA-N 368.481 2.887 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N[C@H](CC(=O)O)c2ccccc2)s1 4694015 OABGBAQJPQTJCK-OAHLLOKOSA-N 357.431 2.816 30 50 FFEA CCc1nnc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)s1 1026823 HEZZPMQOAKEGTL-UHFFFAOYSA-N 359.480 2.977 30 50 FFEA N/C(S)=N\N=C\c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1 8680852 SGFRXCPDEMMQKB-WOJGMQOQSA-N 360.395 2.631 30 50 FFEA aggregator CNc1cc(N2CCC[C@@H]2CNc2nc(C)c(C#N)cc2Cl)ncn1 461790517 ZAFKBXMIVBTDIZ-CYBMUJFWSA-N 357.849 2.828 30 50 FFEA C=CCC[C@@H](CN(C)Cc1cccnc1)Oc1cc(C(=O)NC)ccn1 67841344 KTIGNAYUWTUWQV-SFHVURJKSA-N 354.454 2.682 30 50 FFEA COc1cc(C)sc1C(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C#N)cc1 1565515448 XGCHAMBDCSKZCG-RDJZCZTQSA-N 372.446 2.903 30 50 FFEA N#Cc1c[nH]c(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)c1 1857720704 GCXVKHZPURPFKQ-PMACEKPBSA-N 364.449 2.564 30 50 FFEA CCc1nc(SCC(=O)N(CC)c2cccc(C)c2)[nH]c(=O)c1C#N 5238972 KPGSYJMPSJKUNC-UHFFFAOYSA-N 356.451 2.658 30 50 FFEA Cc1nnc([C@H]2CC23CCN(C(=O)c2c(F)cc(C#N)cc2F)CC3)o1 370338113 YTZMFESQNJYWDO-GFCCVEGCSA-N 358.348 2.938 30 50 FFEA CCOC(=O)[C@@H]1CCc2nc(N)c(C#N)c(-c3ccc(O)cc3OC)c2C1 71776350 RDKMOUHTYDJESN-LLVKDONJSA-N 367.405 2.585 30 50 FFEA N#Cc1ccccc1-c1ccc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1 426599469 CJGNJLALFLVNJH-HNNXBMFYSA-N 359.429 2.966 30 50 FFEA CC#CC(=O)NCC1(C2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1 1875373079 SXYZTCRATBXEGC-UHFFFAOYSA-N 364.486 2.570 30 50 FFEA C[C@@H]1CCc2c(sc(NC(=O)C(=O)NCc3ccccc3)c2C#N)C1 2891004 IRSCKHOGVIQHQJ-GFCCVEGCSA-N 353.447 2.999 30 50 FFEA C=CCn1c(SCC(=O)O)nc2sc3c(c2c1=O)CC[C@H](C)C3 4801861 XLZHULRHDNURTP-VIFPVBQESA-N 350.465 2.946 30 50 FFEA COc1cc(/C=C/c2nc(C#N)c(N3CCOCC3)o2)cc(OC)c1OC 4839165 MNEONVZVASGLBU-SNAWJCMRSA-N 371.393 2.579 30 50 FFEA Cc1nn(-c2ccccc2)c(Cl)c1/C=N/n1c(=S)[nH]nc(C)c1=O 100150289 BLDKJWTUGAYYRA-CAOOACKPSA-N 360.830 2.639 30 50 FFEA CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(OCC)c1 101021694 JABPDADPXZNWGV-CYJYOAIMSA-N 354.406 2.625 30 50 FFEA CN(C)c1ncc(C/N=C(/O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)n1C 328734298 JZSHEUMYDKXDQA-ZDUSSCGKSA-N 373.423 2.955 30 50 FFEA Cc1cc(C)c(S(=O)(=O)Nc2ccccc2-n2cnc(C#N)n2)s1 431135715 CGKLNEFLRQPAKB-UHFFFAOYSA-N 359.436 2.618 30 50 FFEA Cc1ccc(N2CCC[C@H](/N=C(/O)[C@H](C)OC[C@@H]3CCCCO3)C2)nn1 329613264 RTMGOIBHEPYAFY-ULQDDVLXSA-N 362.474 2.685 30 50 FFEA CC1(C)CC(=O)C=C(C(=O)N2CCO[C@@H](CCCc3ccccc3)C2)O1 19782289 JYDQXGYQDQEBAH-SFHVURJKSA-N 357.450 2.889 30 50 FFEA CCC[C@H](C)N1CC2(CCN(C(=O)c3ccc(C#N)nc3)CC2)OC1=O 77379721 DXDINDSVHHSJLG-AWEZNQCLSA-N 356.426 2.569 30 50 FFEA N#Cc1ccccc1N1CCN(C(=O)Cc2c(F)cccc2Cl)CC1=O 82157599 YIRYQXDGXNFPGU-UHFFFAOYSA-N 371.799 2.769 30 50 FFEA C/C(=N/NC(=S)Nc1ccccc1)c1cccc(NS(C)(=O)=O)c1 17074613 GQTXXAIIKSOWPO-PDGQHHTCSA-N 362.480 2.769 30 50 FFEA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(CCOCCC#N)CC2 294561178 LMCUCSWEWRTXBX-GOSISDBHSA-N 361.511 2.881 30 50 FFEA C=CCOc1cc(Cl)c(CN2CCC[C@@](O)(CN(C)C)C2)cc1OC 820491565 RMPCZENVXWGRPH-LJQANCHMSA-N 368.905 2.802 30 50 FFEA O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(F)cc1 17138255 XTWUBXXMEAJWMR-SSGOSMAHSA-N 367.376 2.796 30 50 FFEA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cc(F)c(C#N)c(F)c3)nn(C)c21 1875403803 DTYCOMAMKVAULY-ZJUUUORDSA-N 360.364 2.522 30 50 FFEA CN(C)c1ccc(N[C@@H]2CCCN(/C(O)=N/Cc3cscn3)CC2)cn1 328630778 JUAPMYHCIWPWKO-CQSZACIVSA-N 374.514 2.985 30 50 FFEA CCc1ncc(-c2c(C#N)c(N)nc3c2CN(Cc2ccccn2)CC3)cn1 72171335 YXEBJCQEWYLMNL-UHFFFAOYSA-N 371.448 2.508 30 50 FFEA N#Cc1ccccc1C(=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 91691295 WKQJSGAUBGFWSS-OAQYLSRUSA-N 351.450 2.813 30 50 FFEA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 190511410 BTEFJYXKZWQPKA-INIZCTEOSA-N 354.479 2.917 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCCN(c3ccc(F)cc3)CC2)o1 1506401433 JLBSIMFTYXCDQO-UHFFFAOYSA-N 370.424 2.894 30 50 FFEA Cc1cc(C)nc(N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)n1 15408005 DCYBRWZYJKXCMK-UUASQNMZSA-N 366.175 2.916 30 50 FFEA CN1C(=O)/C(=N/OC(=O)c2ccc(Br)cc2)c2ccccc21 15745773 FLAGZLFLRLUWGK-NBVRZTHBSA-N 359.179 2.987 30 50 FFEA O/C(=N/CCc1nnc2n1CCCCC2)N1CCC(c2nccs2)CC1 328786476 WRGYAPMGGCYOIG-UHFFFAOYSA-N 374.514 2.797 30 50 FFEA Cc1cccc2c1OC[C@H](/N=C(/O)N1CCOc3cc(O)ccc3C1)C2 329640708 XFVXOJTWXPQTDB-MRXNPFEDSA-N 354.406 2.813 30 50 FFEA Cc1cc(C)n([C@@H](C)CC(=O)NC2CCN(/C(O)=N/C(C)(C)C)CC2)n1 330677634 LIRILPOPWHVBEY-HNNXBMFYSA-N 363.506 2.744 30 50 FFEA Cc1ccc(NC(=O)NCC2(N3CCN(C)CC3)CCCC2)cc1C#N 96137778 XTPFFZYAUQBYPF-UHFFFAOYSA-N 355.486 2.548 30 50 FFEA N#Cc1cc(CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)ccc1F 183754339 FGLYVARFTMZJHK-KRWDZBQOSA-N 365.474 2.524 30 50 FFEA N#Cc1cccc(C(=O)NCc2nnc3ccc(-c4ccccc4)nn23)c1 169778297 WZSOKKXIMAMFPW-UHFFFAOYSA-N 354.373 2.593 30 50 FFEA C#CCCC1(CCC(=O)NCC2(N3CCN(C(C)C)CC3)CCCC2)N=N1 1875382415 ZZZKDLHELZNLCX-UHFFFAOYSA-N 373.545 2.797 30 50 FFEA COCCOc1cccc(C#CCOC(=O)c2cc3c(ncn3C)s2)c1 2325794710 OECILIXJDPWMNQ-UHFFFAOYSA-N 370.430 2.869 30 50 FFEA CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(CN2CCc3ccccc32)CC1 111307724 BIIFGPGPYIDUTL-JOCHJYFZSA-N 368.525 2.816 30 50 FFEA COc1ccc(Br)cc1[C@H]1NC(=S)NC(C)=C1C(C)=O 6857153 UIFFLWCOZLBMQQ-CYBMUJFWSA-N 355.257 2.840 30 50 FFEA C#CCOc1ccccc1NC(=O)Nc1ccc(F)c(-n2nnnc2C)c1 186979070 ZFFPVEIFRWXPKM-UHFFFAOYSA-N 366.356 2.766 30 50 FFEA CCOc1cc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)ccc1O 2513464 RXVLAJWKZVPICY-LICLKQGHSA-N 354.815 2.757 30 50 FFEA N#Cc1ccc(NC(=O)CN2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1Cl 248358736 RCUHZPBHARPVAD-DOXZYTNZSA-N 372.900 2.956 30 50 FFEA COC(=O)CCn1cc(-c2cc(-c3cccs3)nc(N)c2C#N)cn1 67880150 XFMSKJNYDDPNFM-UHFFFAOYSA-N 353.407 2.691 30 50 FFEA C/N=C(/O)C/N=C(/O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1OC 328602929 DFAYSDUWEFJSOK-SJCJKPOMSA-N 358.398 2.501 30 50 FFEA CCc1cc(-c2cc(-c3ccc(N4CCOCC4)cc3)nc(N)c2C#N)[nH]n1 71712026 UGIUAUYFXBNXJO-UHFFFAOYSA-N 374.448 2.992 30 50 FFEA Cc1nc(CN(C)[C@H]2CCCN(c3ncc(C#N)cc3Cl)CC2)no1 328624280 CJWHCDACTRNEFU-AWEZNQCLSA-N 360.849 2.789 30 50 FFEA N#Cc1cccnc1N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 72409075 SFHSDBFKUYNODG-NRFANRHFSA-N 361.449 2.757 30 50 FFEA C=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)N(C)CC)nc2c1=O 72410461 UOVREIYXGHQXPD-UHFFFAOYSA-N 354.410 2.651 30 50 FFEA CC[C@@]12OC(=N)[C@@](C#N)([C@H]1C)C(C#N)(C#N)[C@H](c1ccc([N+](=O)[O-])cc1)O2 239377980 OIUQJVXWKRBEHP-VUYXQBRFSA-N 365.349 2.960 30 50 FFEA COc1ccc(CCNC(=O)c2ccc(C#CC(C)(C)O)cc2)cc1OC 1220902 DFOBXZFAOORPAD-UHFFFAOYSA-N 367.445 2.799 30 50 FFEA CCn1ncc(NC(=O)Cn2ncc3cc(-c4cccc(C#N)c4)ccc32)n1 55568668 XLCYRQRHNHQUMU-UHFFFAOYSA-N 371.404 2.825 30 50 FFEA CCCCCCCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 97944125 NBJDLJLRNKFWOH-UHFFFAOYSA-N 357.252 2.546 30 50 FFEA Cn1ccnc1SCCNC(=O)CC1=C(c2ccccc2)CCC1=O 827801441 BNWCIBNZXWMVMN-UHFFFAOYSA-N 355.463 2.835 30 50 FFEA COc1ccc(OC)c(/C=N/N=C2\SCC(=O)N2Cc2ccco2)c1 13522734 XAVIGUQINUWVRF-LDRVEFRDSA-N 359.407 2.762 30 50 FFEA C=CCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 5480591 VPFGPICGSKBJHU-GHRIWEEISA-N 351.362 2.668 30 50 FFEA C=CC(=O)Nc1cccc(C(=O)N[C@H]2[C@H](C#N)CCC23CCOCC3)c1 1875367832 QLCORILICYYFLR-YJBOKZPZSA-N 353.422 2.640 30 50 FFEA C[C@@H](NCc1cc(O)n2ncc(C#N)c2n1)c1cccc(Br)c1 2325849996 INKGAQFYPUJGFJ-SNVBAGLBSA-N 372.226 2.920 30 50 FFEA C=CCN(CC#Cc1ccccc1)C(=O)c1ccc(S(C)(=O)=O)cc1 55182554 HTWXLWVYJDYPEL-UHFFFAOYSA-N 353.443 2.770 30 50 FFEA C#CCOc1ccc(F)cc1NC(=O)N1CC(O)(c2ccc(F)cc2)C1 242302212 YQNHXQHAYAKFNB-UHFFFAOYSA-N 358.344 2.712 30 50 FFEA Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)o1 19884681 FCESQUBFKOVFQR-INIZCTEOSA-N 358.394 2.711 30 50 FFEA N#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)c4ccc(C5CC5)cc4)[C@@H]3C2)[nH]1 1875330858 FLFGJXRUUADVGC-FXAWDEMLSA-N 374.444 2.750 30 50 FFEA Cc1cc(C(=O)CSc2ncc(C#N)c(N)n2)c(C)n1Cc1ccco1 8990162 TULDCCUZQHEYST-UHFFFAOYSA-N 367.434 2.965 30 50 FFEA O=C1N/C(=N\N=C\c2ccccc2)S[C@H]1Cc1cccc([N+](=O)[O-])c1 18209325 SPRMZDNAEZLFRM-LZNAANCOSA-N 354.391 2.759 30 50 FFEA CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(C#CC(C)(C)O)o1 65454950 ICLGIOOLMXCFEP-UHFFFAOYSA-N 365.389 2.724 30 50 FFEA O/C(=N/[C@@H]1CCO[C@]2(CCOC2)C1)N1CC[C@@H](Cc2ccc(F)cc2)C1 329157807 WMFLIMIYXZNFNS-ILZDJORESA-N 362.445 2.942 30 50 FFEA N#Cc1c(N2CCC[C@@H](n3ccnn3)C2)nc2c(c1C#N)CCCCCC2 333398706 FFWZRUXXBZHWNB-OAHLLOKOSA-N 361.453 2.917 30 50 FFEA C/C=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)S1 5101550 UZEAYCHQIQAAID-JPWOZQFDSA-N 358.345 2.627 30 50 FFEA CN(C)CCCC(=O)NCC[C@@H]1CCCN(Cc2ccccc2C#N)C1 2325867281 QEUTYBLHTFIQFJ-SFHVURJKSA-N 356.514 2.618 30 50 FFEA N#Cc1ccc(N2CCN(Cc3ccc(CN4CCCC4)s3)CC2)nc1 65394751 JXYSJMAOZXQMSA-UHFFFAOYSA-N 367.522 2.933 30 50 FFEA CC(C)c1nc([C@H]2CCCCN2C(=O)COc2ccccc2C#N)n[nH]1 289161431 RATFXMZRZBUTPG-OAHLLOKOSA-N 353.426 2.932 30 50 FFEA Cn1c(NN=Cc2ccco2)nc2sc3c(c2c1=O)CC(C)(C)OC3 254382059 OMISGLPFUMKEJR-UHFFFAOYSA-N 358.423 2.885 30 50 FFEA C=CCN1CC[C@@H](CNC(=O)N2CCC(c3nc(C(C)C)no3)CC2)C1 584901544 CHOJPDUGCNKAGJ-HNNXBMFYSA-N 361.490 2.590 30 50 FFEA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)/C(O)=N/C1CCOCC1 328630790 JUKBGFLTKGNFRU-ZFWWWQNUSA-N 355.479 2.685 30 50 FFEA Cn1cncc1[C@H]1[C@H](/N=C(/O)CC[C@@H]2CCCO2)CCC(=O)N1C1CC1 329062041 NTQNHLFHRLMYQN-QMTMVMCOSA-N 360.458 2.530 30 50 FFEA N#Cc1cccnc1N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 72468301 TWFMGFWHDANQQQ-OAQYLSRUSA-N 361.449 2.757 30 50 FFEA COc1ccc2[nH]c(C(=O)N3CCN(c4ccccc4C#N)C(=O)C3)cc2c1 82155895 GKAIYNMCRLWLIP-UHFFFAOYSA-N 374.400 2.537 30 50 FFEA C#CC(C)(C)OC[C@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 16577020 NGJATZCHDYUODI-QGZVFWFLSA-N 350.890 2.560 30 50 FFEA O=C(/C=C\c1ccc(/C=C\C(=O)c2cc[n+]([O-])cc2)cc1)c1cc[n+]([O-])cc1 4566658 XHLSCWAKZXCENT-SFECMWDFSA-N 372.380 2.746 30 50 FFEA CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccsc2)C2=C(CCCC2=O)N1 100640828 HQAGOUBGYBJTFZ-QGZVFWFLSA-N 358.463 2.575 30 50 FFEA N#CCCn1c(=O)c(C(=O)NCc2ccc(F)cc2)c(O)c2ccccc21 170624779 GSENSCUCLKUQDV-UHFFFAOYSA-N 365.364 2.690 30 50 FFEA C[C@@]1(C#N)CCCN(C(=O)NC2CCN(Cc3cccc(O)c3)CC2)C1 534590135 JOURZUOMGUGMTN-FQEVSTJZSA-N 356.470 2.692 30 50 FFEA Cc1cc(C)c(C#N)c(N2CCCN(C(=O)Cc3cccs3)CC2)n1 1772816611 PVWDKZFCXNHJOD-UHFFFAOYSA-N 354.479 2.913 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(O)c1 5045087 YBEMBAWBMKGNFC-GOSISDBHSA-N 367.401 2.925 30 50 FFEA Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)/C(O)=N/Cc2ccco2)on1 328636083 NWFKTFUPQSCWHD-KBPBESRZSA-N 350.394 2.534 30 50 FFEA C=C(Cl)CCC(=O)N(C)C[C@@H](C)NC(=O)Cc1cc(C2CC2)on1 2325867967 KLIPSKBOARKPEW-GFCCVEGCSA-N 353.850 2.590 30 50 FFEA C=CCNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 2989410 GLRHVZZORRWECB-UHFFFAOYSA-N 358.463 2.801 30 50 FFEA CC(C)(O)C#Cc1ccccc1C(=O)N[C@H](CC(=O)O)c1ccccc1 4697998 MVPFLELHOXSKAD-GOSISDBHSA-N 351.402 2.755 30 50 FFEA CC[C@@]12OC(=N)[C@@](C#N)([C@H]1C)C(C#N)(C#N)[C@H](c1cccc([N+](=O)[O-])c1)O2 239310057 IAGWJPOMLYEFDO-VUYXQBRFSA-N 365.349 2.960 30 50 FFEA CCN1CCN(C(=O)CCC2CCN(Cc3cccc(C#N)c3)CC2)CC1 95501822 FBFVKHXRBGGPOW-UHFFFAOYSA-N 368.525 2.715 30 50 FFEA O/C(=N/CCC1=CCCC1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328620638 HESGJSYPSPJUSW-GOSISDBHSA-N 371.485 2.865 30 50 FFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)cc1OC 682748 DYUSMYFZDXTHIS-INIZCTEOSA-N 373.405 2.558 30 50 FFEA N/C(=N\OC(=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 4993946 PFKGUUXMFQUFFP-UHFFFAOYSA-N 364.155 2.835 30 50 FFEA O=[N+]([O-])c1ccc(Br)c(NN=C(O)CCCn2ccnn2)c1 328589383 AINRHMWPDGVTEI-UHFFFAOYSA-N 369.179 2.713 30 50 FFEA Cn1cc(-c2cc(-c3cc(CC(=O)O)cs3)nc(N)c2C#N)cc1C#N 71416071 XNEHZTPSTXKBMS-UHFFFAOYSA-N 363.402 2.768 30 50 FFEA CO[C@H]1O[C@]23CCC4=CC(=O)CC[C@@]41[C@@H]2CC[C@]1(C)[C@@H]3CC[C@H]1C(=O)CO 257349572 OZBRSASHLPSDOA-QWQRBHLCSA-N 374.477 2.801 30 50 FFEA N#Cc1ccccc1-c1ccc(CN2CC[C@@]34OCCCN3C(=O)C[C@@H]24)o1 1857731264 NEHMCMSACJLKBP-CTNGQTDRSA-N 363.417 2.741 30 50 FFEA O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)(=O)c1ccc(F)cc1 2946718 TVDHBKLSXQTJFI-UHFFFAOYSA-N 371.345 2.895 30 50 FFEA COc1ccc(CN2Cc3nnc(-c4ccc(C#N)cc4)n3[C@@H](C)C2=O)cc1 2356147329 RMMOTIDBJNHDBB-AWEZNQCLSA-N 373.416 2.929 30 50 FFEA CC(C)n1c([C@H]2OCC[C@H]2C)nn(Cc2cn3ccccc3c2C#N)c1=O 328644514 RSEMKJDTDRGCQD-KDOFPFPSSA-N 365.437 2.896 30 50 FFEA N#Cc1ccc(N2CCC(NCCCn3ncc4ccccc43)CC2)nc1 95520019 JDOLUWAWKIGDBI-UHFFFAOYSA-N 360.465 2.952 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(C(=O)Cc1ccc(F)cc1F)CC2 91574806 SRFQRPJNRABEBO-UHFFFAOYSA-N 362.420 2.925 30 50 FFEA O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccc1F)c1ccccc1 13081129 GKOUMPYFUMCMLQ-KRWDZBQOSA-N 355.365 2.786 30 50 FFEA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2ccc(OC)c(C#N)c2)cn1 328657009 ZXCSAPYCHWBSQE-APWZRJJASA-N 353.426 2.733 30 50 FFEA CC(C)(C)[C@H](CNC(=O)[C@@]1(C#N)CCCOC1)NC(=O)CCCC1CC1 1875332918 QTCVOEJUDFCKFL-OXJNMPFZSA-N 363.502 2.534 30 50 FFEA CN(C)Cc1cc(O[C@@H]2CCN(CCOc3ccc(C#N)cc3)C2)ccn1 886068801 UROLWCGEEMBZBF-OAQYLSRUSA-N 366.465 2.547 30 50 FFEA C#CCCC1(CCC(=O)NC2CCN(CC3(O)CCCCC3)CC2)N=N1 2325892205 DWFMCURDCRWTAS-UHFFFAOYSA-N 360.502 2.618 30 50 FFEA C=CCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 2061070 PHTPOIBXAUGBHA-UHFFFAOYSA-N 362.426 2.632 30 50 FFEA Cc1c(CN[C@H](c2nc(C(C)C)no2)C2CCOCC2)cc(C#N)n1C 328642240 YITCFKYCUYXMKJ-KRWDZBQOSA-N 357.458 2.969 30 50 FFEA CC[C@H](C)n1ncc(N=C(O)N[C@@H]2CS(=O)(=O)c3ccccc32)c1C 330122023 JZMYODOAVRMCGW-XHDPSFHLSA-N 362.455 2.826 30 50 FFEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1cnc(N2CCCC2)s1 71749542 ZQWWOCPWRXNNQB-UHFFFAOYSA-N 365.466 2.968 30 50 FFEA Cc1cc(C)cc(NC(=O)CCN2CCN(c3ncccc3C#N)CC2)c1 244724322 MRVNTSGGIGQLGG-UHFFFAOYSA-N 363.465 2.721 30 50 FFEA CCC1=NO[C@H](CNC(=O)c2cccc(-c3cnc4c(C#N)cnn4c3)c2)C1 534672336 USCCRQJIKJHPNX-SFHVURJKSA-N 374.404 2.553 30 50 FFEA Cc1nc(-c2ccc(F)cc2)n(Cc2ccc(C#N)cc2)c(=O)c1CCO 169755808 BJOPKIGRNVGZGO-UHFFFAOYSA-N 363.392 2.813 30 50 FFEA O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1C/C(O)=N/[C@@H]1CCCCC12CCCC2 329597532 CPACKIDFJYTWIY-ZJPZJRRFSA-N 360.454 2.608 30 50 FFEA C#Cc1cccc(NC(=O)N2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c1 1875339322 FGHGCYYVZLBUJS-UHFFFAOYSA-N 373.453 2.551 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2)s1 4694014 OABGBAQJPQTJCK-HNNXBMFYSA-N 357.431 2.816 30 50 FFEA N#Cc1cccnc1N1CCC(NC(=O)Cc2ccc(O)c(Cl)c2)CC1 220483184 YUDKZQJMJFYWGP-UHFFFAOYSA-N 370.840 2.640 30 50 FFEA N#C[C@H]1CCCN(C(=O)c2cccc(-c3nc4c(cc3C(N)=O)CCC4)c2)C1 426438909 QPQYWZZMHASLLV-CQSZACIVSA-N 374.444 2.712 30 50 FFEA C[C@@H]1CN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)C[C@@H](C)O1 229992485 ZHQRYBIJOKTXQH-WIOPJUBLSA-N 363.498 2.623 30 50 FFEA biogenic CC(C)(O)C#Cc1ccc(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)o1 670460954 ZRPAHEQCLHOLNG-HNNXBMFYSA-N 372.490 2.858 30 50 FFEA N#Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C(N)=O)ccc1Cl 170642242 AZGXUEXMNCVFAI-UHFFFAOYSA-N 370.217 2.765 30 50 FFEA COc1ccc(CO/N=C(\Nc2ccc(C)cc2)c2nonc2N)cc1 12447749 YHYLLLLYPZRHFL-UHFFFAOYSA-N 353.382 2.959 30 50 FFEA Cc1nc(C)c(N=C(O)N2CCOC[C@H]2c2nnc(C(C)C)o2)s1 328628149 NKDVVZWESNPCBA-NSHDSACASA-N 351.432 2.885 30 50 FFEA Cc1ccc(S(=O)(=O)O[C@H]2[C@H]3CCC4(OCCO4)[C@H]3C[C@H]2C)cc1 71786154 JFLAOVOCSDIJQI-BSWAZPDLSA-N 352.452 2.878 30 50 FFEA N#Cc1cccc(-c2cn(CCc3csc(-c4cnccn4)n3)nn2)c1 91769762 YTYASXYYEUJFQE-UHFFFAOYSA-N 359.418 2.973 30 50 FFEA COc1cccc2c1C1(CCN(C(=O)c3ccc(C#N)nc3)CC1)OCC2 1704342790 DRAMUQLCEIAPJC-UHFFFAOYSA-N 363.417 2.666 30 50 FFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCC)cc1 753509 GTYXABNBHJRXTF-MRXNPFEDSA-N 357.406 2.940 30 50 FFEA COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(O)c(OC)c2)c1 1220692 LJXFQXKMJYMNPL-SFHVURJKSA-N 369.373 2.898 30 50 FFEA N#Cc1ccc(N2CCN(Cc3ccc(-n4ccnc4)cc3)CC2=O)cc1 82138835 SHFPJSMGOSGBKS-UHFFFAOYSA-N 357.417 2.593 30 50 FFEA N#Cc1ccnc(N2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)c1 91907332 QRFAIHZBYJCZIQ-UHFFFAOYSA-N 374.452 2.508 30 50 FFEA Cc1cccc(C)c1NC(=O)/C(=N\NC(N)=S)[C@@H](C#N)c1ccccc1 5711297 LXMQZLHHRDXMNE-ADSWHHSESA-N 365.462 2.739 30 50 FFEA C[C@@H](NC[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)c1cccc(C#N)c1 886026748 UAURBKWSQJNODV-ZTQAJYAQSA-N 351.454 2.552 30 50 FFEA COc1ccc(NC(=O)c2cccc(NC(=O)C3(C#N)CCC3)c2)cn1 119670342 UKJYTFQYQFGVAT-UHFFFAOYSA-N 350.378 2.975 30 50 FFEA CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)CC1 120839003 BFXAXUVBVQQNRZ-CQSZACIVSA-N 369.444 2.658 30 50 FFEA COC[C@]1(O)CCN(C(=O)CC2=C(c3ccccc3)CCC2=O)CC1(C)C 91326029 ZXVGMBREBPSQEP-JOCHJYFZSA-N 371.477 2.829 30 50 FFEA COC(=O)c1c(Br)cc(I)cc1C#N 263623415 HHBFJANYYDNANE-UHFFFAOYSA-N 365.952 2.712 30 50 FFEA CNS(=O)(=O)c1cccc([C@@H](C)Nc2nc3ncccc3cc2C#N)c1 1472683683 ONRYDHHETTVBSX-GFCCVEGCSA-N 367.434 2.583 30 50 FFEA C[C@H]1CN(Cc2ccc(C#N)cc2)CCN1c1nc(C#N)ncc1Cl 2325802404 FWAIKZUNOKCFQB-ZDUSSCGKSA-N 352.829 2.584 30 50 FFEA Cc1ccc2c(c1)/C(=N\Nc1nnc3c(n1)[nH]c1c(C)cccc13)C(=O)N2 4713018 WJOUBIFCRIPCRV-UHFFFAOYSA-N 357.377 2.891 30 50 FFEA CCOc1ccc(-c2cc(-c3c[nH]nc3C(=O)OC)c(C#N)c(N)n2)cc1 67757072 KJORBLSOYGRQAT-UHFFFAOYSA-N 363.377 2.778 30 50 FFEA N#Cc1cc(I)c(Br)cc1C(=O)O 263624921 VFAYKKAFIJLGND-UHFFFAOYSA-N 351.925 2.624 30 50 FFEA Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CC2)o1 170608012 IGBPYVWQFVFMEX-DLBZAZTESA-N 368.412 2.883 30 50 FFEA O=C(Cn1cc(/C=N/n2cnnc2)c2ccccc21)Nc1ccc(F)cc1 1092418 MRGSRDNZNGJPTL-NUGSKGIGSA-N 362.368 2.893 30 50 FFEA C=C(C)CCN(CC(=O)NC)C(=O)c1cccc(-n2ccnc2SC)c1 1857532586 VOIOGTMUMZCLDI-UHFFFAOYSA-N 372.494 2.749 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc(N3CCOC3=O)c(OC)c2)N=N1 1875381851 JJOZJFMLIZFKGC-UHFFFAOYSA-N 356.382 2.946 30 50 FFEA N#CC(C#N)C1CCN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)CC1 1875308540 KDYJSWYVTSLMRU-UHFFFAOYSA-N 351.332 2.752 30 50 FFEA CC(C)[C@](C)(C#N)NC(=O)CN1CCC(CN2CCc3ccccc32)CC1 111307726 BIIFGPGPYIDUTL-QFIPXVFZSA-N 368.525 2.816 30 50 FFEA C=CCn1cc(CN2CCN(c3cc(C(C)C)nc(C)n3)CC2)c(C)n1 65451653 MAUUPXQAQDOUGL-UHFFFAOYSA-N 354.502 2.922 30 50 FFEA C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1=O 253427367 MDTHUIJJTPATIW-OAHLLOKOSA-N 371.437 2.979 30 50 FFEA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)c1sccc1C#N 328628563 NWJGWDRUPQWRTI-GOEBONIOSA-N 357.483 2.508 30 50 FFEA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2nc3c(cc2C#N)CCC3)C1 364220880 VPNHJBGQDYYWCC-AWEZNQCLSA-N 350.426 2.507 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccccc2CN2C(=O)CCC2=O)N=N1 1875381888 KGLFTMDCWUDGNT-UHFFFAOYSA-N 352.394 2.630 30 50 FFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)ccc1OC 632629 FSIZAFTZDFOGLF-INIZCTEOSA-N 373.405 2.558 30 50 FFEA CCCCC(=O)N1CCC2(CC1)CN(Cc1ccccc1C#N)CCN2C 67856613 IEBCXBVKICOFJG-UHFFFAOYSA-N 368.525 2.857 30 50 FFEA N#CC1(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)CCCCC1 115550027 LGHZKBLTIDOYGI-UHFFFAOYSA-N 352.438 2.746 30 50 FFEA C=CCN1C[C@@H](c2nc(Cc3cccs3)nn2-c2cccnc2)CC1=O 820478076 QIVSKDZGGKPRRY-AWEZNQCLSA-N 365.462 2.817 30 50 FFEA CCOc1ccc(/C=N/n2c(S)nnc2-c2ccccn2)cc1OC 5900510 LSIXSRZZYQZBEP-YBFXNURJSA-N 355.423 2.918 30 50 FFEA CC#CC(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1 12575671 OODMEUCRDQIIPK-UHFFFAOYSA-N 369.400 2.853 30 50 FFEA O=C1C[C@H](C(=O)Nc2ccccc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 100129515 WVXMFPBHRRHFRF-OCCSQVGLSA-N 350.374 2.755 30 50 FFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(F)c1 2776116 HIOWWPSIXISDCN-SFHVURJKSA-N 359.397 2.983 30 50 FFEA C[C@H](Oc1ccccc1-c1c(C#N)c(N)nc2c1N1CCC2CC1)C(=O)O 102380301 IUPPNHWLFFAXLJ-NSHDSACASA-N 364.405 2.752 30 50 FFEA Cn1ncc(Br)c1C(=O)Nc1sc2c(c1C#N)CCC2 2775154 RTSYPGOHFIXCSX-UHFFFAOYSA-N 351.229 2.857 30 50 FFEA N#Cc1ccccc1N1CCN(Cc2ccccc2Cn2cccn2)CC1=O 82138838 OXAHWPWONUGKCR-UHFFFAOYSA-N 371.444 2.652 30 50 FFEA N#CC1(c2ccc(C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3)cc2)CC1 288680947 SPZWWZAEOIKVAT-OAHLLOKOSA-N 351.372 2.998 30 50 FFEA N/C(=N\OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 4568510 VEBLWVAHNMDSJP-UHFFFAOYSA-N 364.701 2.634 30 50 FFEA C#CC1(OC[C@@H](O)CN2CCc3cc(OC)c(OC)cc3C2)CCCCC1 12419871 GLYLDZJJRNDIKA-IBGZPJMESA-N 373.493 2.776 30 50 FFEA biogenic CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(OCC)c1 105246167 JABPDADPXZNWGV-HDEMRVJASA-N 354.406 2.625 30 50 FFEA N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)CCc2cccs2)cc1 219150779 ZJSCUSAFDKORJN-QZTJIDSGSA-N 356.447 2.905 30 50 FFEA O=C(C[C@@H]1S/C(=N/N=C/c2ccccc2)NC1=O)Nc1ccccc1 5649878 JECURSFHBDEZAI-UZUMKDMXSA-N 352.419 2.637 30 50 FFEA C#CC[C@@H](NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)C1CC1 2325806278 AMCLPCBSLKLYJQ-UONOGXRCSA-N 361.239 2.793 30 50 FFEA Cc1cc(N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)nc(C)c1C#N 223582782 AGYRRBZSRGKTKG-RTBURBONSA-N 353.422 2.711 30 50 FFEA C=CCO[C@@H]1[C@H](OC)O[C@H](COCc2ccccc2)[C@H]2OC(C)(C)O[C@@H]12 257358478 URZWLLVLOQIALO-IEWDOMPSSA-N 364.438 2.666 30 50 FFEA CC/N=C1/S[C@H](CC(=O)Nc2ccccc2OC(F)F)C(=O)N1CC 13471200 IGEJLUGZBAPFLL-OHEASWGXSA-N 371.409 2.956 30 50 FFEA N#CCCN(CCc1ccccc1)S(=O)(=O)c1cccc2nsnc12 2240180 HWCWFCCAQDSWLK-UHFFFAOYSA-N 372.475 2.838 30 50 FFEA COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1Cn1cncn1 67885023 CVFLMUMELLFCPC-UHFFFAOYSA-N 360.421 2.730 30 50 FFEA Cc1ccc(C/N=C(/O)N2CCOC[C@H]2CC(C)C)cc1S(C)(=O)=O 331288297 OFYMRPKNWTZOJK-MRXNPFEDSA-N 368.499 2.559 30 50 FFEA C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]2(C)[C@@]1(O)C(=O)CO 257359398 ZYTXTXAMMDTYDQ-ZYOGLIBTSA-N 356.462 2.753 30 50 FFEA COc1ccc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)cc1OC 1190004 HBFNFKNTSUINGR-VCHYOVAHSA-N 362.455 2.557 30 50 FFEA C=CCOc1cccc(C(=O)N[C@H]2CCCc3nc(N(C)C)ncc32)c1 15074492 HVXIKBMCJVPGJC-KRWDZBQOSA-N 352.438 2.915 30 50 FFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(OC)c1 19315204 GXKZABJXYDCBHU-SFHVURJKSA-N 357.406 2.845 30 50 FFEA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)Cc2ccccc2CC#N)C3)o1 952851399 KUTRVKWEVYDWDY-PXNSSMCTSA-N 350.422 2.567 30 50 FFEA CC(=O)NC1CC([C@H]2CCN(C(=O)C(C)(C)c3ccc(C#N)cc3)C2)C1 2325849259 JPHFJQIMZDAUJK-MUYFXNHWSA-N 353.466 2.599 30 50 FFEA O=S1(=O)CCN(/C(O)=N/CC(F)(F)c2ccccc2)[C@@H]2CCCC[C@@H]21 329626254 TWIWDLGHOICXSY-CABCVRRESA-N 372.437 2.734 30 50 FFEA N#Cc1c(-c2cc(Cl)ccc2OCC(N)=O)cc(-c2ccc[nH]2)nc1N 71759500 QYLLWSKGUJCONB-UHFFFAOYSA-N 367.796 2.715 30 50 FFEA CN1C[C@]2(CCCN(CCCC(=O)Nc3ccc(C#N)cc3)C2)CCC1=O 244748552 OJNZZBOXPLLWTP-NRFANRHFSA-N 368.481 2.611 30 50 FFEA CC(C)=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)S1 18208137 WADHXGKKAQXDRR-GFCCVEGCSA-N 352.847 2.960 30 50 FFEA COc1cc(/C(C)=N/N2CCN(c3ccccc3OC)CC2)ccc1O 19791028 CPVXFDYBLNCITH-RCCKNPSSSA-N 355.438 2.956 30 50 FFEA Cc1ccc(-c2ccc3nnc(CNC(=O)c4cccc(C#N)c4)n3n2)cc1 169781387 UDPQWXAKUXIIOM-UHFFFAOYSA-N 368.400 2.901 30 50 FFEA O=S(=O)(C/C(O)=N/c1nnc(C(F)(F)F)s1)c1ccccc1 4436658 WGYHKVJATXBGQA-UHFFFAOYSA-N 351.331 2.619 30 50 FFEA C=CCN(Cc1ccccc1C)C(=O)c1cc(S(N)(=O)=O)ccc1C 55358323 RCKWPWODWTVIFF-UHFFFAOYSA-N 358.463 2.779 30 50 FFEA N#Cc1c(-c2cnc(NC[C@H]3CCCO3)nc2)cc(C2CCC2)nc1N 67895367 RJLAHPCFAMQRGQ-CQSZACIVSA-N 350.426 2.851 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)N=N1 2325886365 SESLSUCFUJGKLI-QZTJIDSGSA-N 355.438 2.833 30 50 FFEA C#CCCC1(CCC(=O)Nc2cnc3ccc(C(=O)OCC)cn23)N=N1 2325895206 BLRQYYOCBNMARV-UHFFFAOYSA-N 353.382 2.805 30 50 FFEA N#Cc1c(NC(=O)CCn2cnc3ccccc3c2=O)sc2c1CCC2 2867166 MNQXCUVWXMAARE-UHFFFAOYSA-N 364.430 2.847 30 50 FFEA C=CCN1CCN(C(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 20311778 DFLNOZIGNIAVQJ-CYBMUJFWSA-N 353.260 2.547 30 50 FFEA N#Cc1c(NC[C@@H]2CCN(C(=O)Cc3ccccc3)C2)nc2ccccn12 363691691 TZVJHIQKNJCTSI-KRWDZBQOSA-N 359.433 2.709 30 50 FFEA C[C@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)[C@@H](c2ccccc2)CO1 331480196 XELSUKBSZUSLBA-IFXJQAMLSA-N 374.437 2.989 30 50 FFEA C=CCn1nc(C(=O)O)c2c1CC[C@H](N1CCCC3(CCOCC3)C1)C2 77393257 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CN1CCN(Cc2ccc(C(=O)N3CCCC(C)(C)[C@H]3C#N)cc2)CC1 277621307 WGAYZNPUMMIYSD-LJQANCHMSA-N 354.498 2.588 30 50 FFEA C#CCCC1(CCC(=O)Nc2cc(OC)c(OC)cc2C(=O)N(C)C)N=N1 2325891923 HLNCAFYGONVECH-UHFFFAOYSA-N 372.425 2.700 30 50 FFEA Cc1nc(CNC(=O)c2cccc(C#CC(C)(C)O)c2)nc2c1CCCC2 65494442 DLKHPVFNEORODX-UHFFFAOYSA-N 363.461 2.716 30 50 FFEA C[C@]1(C2CC2)CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCO1 952994903 YYBQPBLLYXHLIR-LJQANCHMSA-N 369.400 2.916 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H](c2cccc(OC)c2)c2nccn2C)N=N1 2325892018 YNSCEZLWCUSLAK-SFHVURJKSA-N 365.437 2.990 30 50 FFEA N#Cc1cc2c(nc1N1CCC[C@]3(CCc4c[nH]c(=N)nc43)C1)CCCC2 2356137676 VCDQCUOAJDUQDD-NRFANRHFSA-N 360.465 2.519 30 50 FFEA C[S@](=O)C1(CNC(=O)c2ccc(COc3ccccc3C#N)o2)CCC1 225499847 SSTIDCILCDHEOV-SANMLTNESA-N 372.446 2.761 30 50 FFEA N#Cc1cc(N2CCN(c3nc4ccccc4o3)CC2)c([N+](=O)[O-])cc1C#N 4628953 XQBBDUYHSLXVHU-UHFFFAOYSA-N 374.360 2.806 30 50 FFEA C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccn1 6820162 QKTLBGPXGARCSI-UHFFFAOYSA-N 358.452 2.713 30 50 FFEA Cc1c(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)c2ccccc2n1CC(N)=O 71708005 SXHROCAFGGRELE-UHFFFAOYSA-N 370.416 2.946 30 50 FFEA N#C[C@]1(NC(=O)c2ccc3c(c2)NC(=O)CS3)CCc2ccccc2C1 183992074 ZZDGHZAYTRIQSN-FQEVSTJZSA-N 363.442 2.912 30 50 FFEA CCOP(=O)(OCC)C(=NOC(=O)c1ccccc1Cl)C(N)=O 254628860 KFRFBORXTMYUJL-UHFFFAOYSA-N 362.706 2.562 30 50 FFEA C=CCCC(=O)N[C@@H]1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21 15079781 KJRXVIJWZHAWNY-MRXNPFEDSA-N 358.486 2.534 30 50 FFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1 19790817 ZLYSIRJICAQGDE-GOSISDBHSA-N 370.449 2.875 30 50 FFEA Cc1ccc(F)c(OC2(C(=O)O)CCN(c3cc(C#N)ccn3)CC2)c1 72478341 FVNIZVVHYQFGOH-UHFFFAOYSA-N 355.369 2.903 30 50 FFEA N#Cc1ccc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c(F)c1 302156682 WOQRWDCDAGQOSS-HNNXBMFYSA-N 351.447 2.528 30 50 FFEA CCCS(=O)(=O)Nc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1 277561264 PJYAEZFGBWHEMY-INIZCTEOSA-N 363.483 2.993 30 50 FFEA C=CCn1c(S)nc2cc(C(=O)N[C@H]3C[C@H](C)O[C@H](C)C3)ccc2c1=O 245501636 DEJXPGCGRQEYQN-DABQJJPHSA-N 373.478 2.557 30 50 FFEA CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(/C(O)=N/[C@@H]2C=CCCC2)CC1 328625398 DDKLQHKNRFJTIP-NVXWUHKLSA-N 369.531 2.678 30 50 FFEA O=C(O)c1cccc(NC(=S)N/N=C/c2ccc([N+](=O)[O-])s2)c1 5130564 OQTYAOPSBSQEKM-VGOFMYFVSA-N 350.381 2.675 30 50 FFEA N#Cc1ccc(N2CCCN(C(=O)CCc3cccc(F)c3)CC2)nc1 1775983487 MDQAUZPYKLEBSM-UHFFFAOYSA-N 352.413 2.764 30 50 FFEA Cc1ccc(S(=O)(=O)/N=C2\S/C(=C\c3ccco3)C(=O)N2C)cc1 16677264 ISMWJZDMRXNLSX-IAENUNMASA-N 362.432 2.879 30 50 FFEA COc1cc(C#N)ccc1CN1CC[C@H](Oc2ccnc(CN(C)C)c2)C1 886096543 LOUACBDTBKVUHX-FQEVSTJZSA-N 366.465 2.677 30 50 FFEA C[C@@H]1CN(c2ccccc2N/C(O)=N/[C@@H]2CCc3c[nH]nc3C2)C[C@@H](C)O1 329794830 CISLPQGUPBMBLO-IIAWOOMASA-N 369.469 2.907 30 50 FFEA C=CCN1CCN(C(=O)c2ccc(-c3cncc(C(C)(C)O)c3)cc2)CC1 584888611 GUMLNIQAXBOZNP-UHFFFAOYSA-N 365.477 2.920 30 50 FFEA N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3[C@H]4CCc5ccccc5[C@H]43)CC2)c1 269478244 PXCHXLZQMUHUSB-CEWLAPEOSA-N 373.460 2.513 30 50 FFEA N#Cc1cc(S(=O)(=O)NCC(F)(F)F)ccc1N1CCC2(CCC2)C1 1875262095 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COc1ccc2c(c1)[C@H](/N=C(/O)[C@@H]1CCOC1)CCN2C(=O)[C@@H]1CCOC1 329542614 XWGAFPHGQJONQW-CKEIUWERSA-N 374.437 2.503 30 50 FFEA O/C(=N/Cc1noc2c1CCCC2)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 329692313 CDRJLQANSRMUTD-MPGHIAIKSA-N 358.486 2.774 30 50 FFEA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(C#N)cc1)C2 91390916 RMMUQMSECUJRNC-PKOBYXMFSA-N 364.449 2.900 30 50 FFEA COc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3ccc(F)cc3)S2)cc1 18209434 SUISFERHVPBWFB-YODDIOPGSA-N 357.410 2.999 30 50 FFEA C=CCOC(=O)N1CCC[C@@H](NC(=O)c2cc(-c3csc(C)n3)c[nH]2)C1 1875332137 MHPREZGBHKTISR-CQSZACIVSA-N 374.466 2.963 30 50 FFEA C[C@@]1(CO)COCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 2325801167 ZKAFRHLJYCBBKI-OAQYLSRUSA-N 366.417 2.822 30 50 FFEA C#CCCC1(CCC(=O)NC[C@@H]2[C@@H](C(=O)OC)[C@H]2c2ccccc2)N=N1 2325893496 RVNSVRXLBIENJI-RYQLBKOJSA-N 353.422 2.661 30 50 FFEA C=CCn1nc(C(=O)O)c2c1CC[C@@H](N1CCCC3(CCOCC3)C1)C2 77393253 XNWFMRXTUNCXHL-OAHLLOKOSA-N 359.470 2.517 30 50 FFEA C=CCO[C@H]1[C@H]2OC(C)(C)O[C@H]2[C@@H](COCc2ccccc2)O[C@H]1OC 257358477 URZWLLVLOQIALO-HVMFNXBNSA-N 364.438 2.666 30 50 FFEA Cc1cccc(S(=O)(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)c1C#N 183238602 BTKBKPIBTYBNKB-MRXNPFEDSA-N 360.410 2.848 30 50 FFEA Cc1nnc(N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)c(C#N)c1C 275466212 AEFHSLHOLYZAEH-MRXNPFEDSA-N 368.510 2.913 30 50 FFEA CC1(C)CC(=O)C=C(C(=O)N2CCC(n3cc(C4CCCC4)nn3)CC2)O1 63871196 TYOPNHVKYONSGW-UHFFFAOYSA-N 372.469 2.751 30 50 FFEA CC(C)c1csc(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 177921486 PRYCSQBDMCUUAU-UHFFFAOYSA-N 370.482 2.565 30 50 FFEA N#Cc1ccccc1C(=O)N1CCCN(C(=O)Cc2ccsc2)CC1 1772709465 JVJOKVVCNRJTLW-UHFFFAOYSA-N 353.447 2.537 30 50 FFEA C[C@@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)CCOc1ccccc1 82160336 IBXQLBNIGLRXAP-MRXNPFEDSA-N 363.417 2.591 30 50 FFEA C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1 5050030 LDOIKBBAFPHVID-UHFFFAOYSA-N 358.452 2.713 30 50 FFEA CC1=CC(=O)C=C/C1=N/OS(=O)(=O)c1ccc(Br)cc1 1802632 OSWQCUFRXSHREO-SQFISAMPSA-N 356.197 2.596 30 50 FFEA CN(C/C(O)=N/C1CCOCC1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328635331 NHDLXYJWROBFLW-GFCCVEGCSA-N 374.407 2.532 30 50 FFEA COc1ccc([C@]2(C#N)C[C@@H]3NCCN=C3CN2Cc2ccccc2)cc1 22576565 GMTZLFQZPBBABA-RBBKRZOGSA-N 360.461 2.733 30 50 FFEA Cc1cc(C(=O)N2CC(F)(F)C[C@@H]2CO)c(C)n1-c1ccc(C#N)cc1 372559271 ZCUUMPOYVURSMF-MRXNPFEDSA-N 359.376 2.808 30 50 FFEA CC#CC(=O)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14537202 GYDGGFYKMOLTCG-HXUWFJFHSA-N 368.477 2.599 30 50 FFEA COc1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 4610933 CQMZGBFWDHVKIP-XSFVSMFZSA-N 367.457 2.527 30 50 FFEA C#CCCC1(CCC(=O)N2CCC[C@H](C(=O)Nc3ccc(O)cc3)C2)N=N1 2325900317 TYSBPXVAZQQIJU-HNNXBMFYSA-N 368.437 2.925 30 50 FFEA CN1C(=O)c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2C1=O 2278038 WWMSMOXDNDKSNV-UHFFFAOYSA-N 372.196 2.684 30 50 FFEA N#Cc1ccsc1N1CC[C@@H](N2CC[C@@]3(C2)OCc2ccccc23)C1=O 186718489 VTAASBYCJISXQR-XLIONFOSSA-N 365.458 2.856 30 50 FFEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCC1CC1)C2 14731988 SSFOOZPNKMDAQG-QGZVFWFLSA-N 356.514 2.942 30 50 FFEA N#Cc1cnn2c(=O)nc(SCc3cc(Cl)ccc3Cl)[nH]c12 2325863439 JXTUQTAVSCZEHQ-UHFFFAOYSA-N 352.206 2.888 30 50 FFEA Cc1cc(NS(=O)(=O)c2cccc(C#N)c2)n(-c2ccc(F)cc2)n1 171148967 GHJPTODRFLPVTP-UHFFFAOYSA-N 356.382 2.992 30 50 FFEA Cc1ccccc1OCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C#N)cc1 220122922 UHIMWMGMKOKKPF-UYAOXDASSA-N 366.417 2.598 30 50 FFEA Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)C[C@@H]1CN(C(C)C)CCO1 97732691 JLJNYECCHITFFR-QGZVFWFLSA-N 368.481 2.506 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(CC(=O)N[C@@H](C)c1ccccc1)CC2 91585729 KUCVKEBIAYJNOI-SFHVURJKSA-N 369.509 2.754 30 50 FFEA COc1cc(OC)c(/C=N/N2CCN(c3ccccc3)CC2)c(OC)c1 1214142 RFRMNKNWRBAWJD-RCCKNPSSSA-N 355.438 2.869 30 50 FFEA COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCO)cc1 9110375 KERLSMVSKUSEIX-GOSISDBHSA-N 367.401 2.656 30 50 FFEA Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C[C@H]1CCOc2ccccc21 118148991 QFBMMWILUFDSGT-OAHLLOKOSA-N 370.430 2.628 30 50 FFEA O/C(=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1)NCc1cscn1 328639295 WWLMOZBLOJZOPP-SECBINFHSA-N 359.377 2.625 30 50 FFEA CC(C)n1cc([C@]2(O)CCCN(Cc3ccc(Cl)cc3C#N)C2)nn1 284749517 XKYXZBKMYVVISM-SFHVURJKSA-N 359.861 2.868 30 50 FFEA COc1nccc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)c1C#N 95371295 JKDQKCFIMWKJLM-DLBZAZTESA-N 362.433 2.589 30 50 FFEA 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)c([N+](=O)[O-])c1 252428602 PYFMQUCYIDMEMK-UGCUUYFESA-N 371.780 2.635 30 50 FFEA CC(C)NC(=O)[C@H](C#N)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170623077 SZHJMHUYUWVSQQ-LLVKDONJSA-N 366.299 2.602 30 50 FFEA COc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2NC2CC2)cc1OC 170619888 QWIYLWRIJPQUDH-UHFFFAOYSA-N 373.434 2.951 30 50 FFEA C=CCOc1ccc(Cl)cc1CN1C[C@@H](O)[C@H](Cc2cc(C)[nH]n2)C1 1529145057 AJROBHYNGFSGIJ-RDTXWAMCSA-N 361.873 2.972 30 50 FFEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1cccc(C)c1)C2 19799986 VVKZSOBLYRCBHM-KRWDZBQOSA-N 352.482 2.726 30 50 FFEA C#CCCC1(CCC(=O)Nc2cc(C(=O)N3CCOCC3)ccc2C)N=N1 2325892598 SZPWSDQPTIUEKH-UHFFFAOYSA-N 368.437 2.762 30 50 FFEA COC(=O)c1n[nH]cc1-c1c(C)c(-c2ccc(F)cc2F)nc(N)c1C#N 71759762 AWZZMJKHGXNODJ-UHFFFAOYSA-N 369.331 2.966 30 50 FFEA C#CCCC1(CCC(=O)NC2(c3ccc(O)cc3)CC(C(=O)OC)C2)N=N1 2325894759 NMVXNIGNGCSUNY-UHFFFAOYSA-N 369.421 2.642 30 50 FFEA CC(C)(O)C#Cc1ccc(CN2CCN(c3ncc(Cl)cn3)CC2)cc1 65507498 SWJMLZIWBDXIAE-UHFFFAOYSA-N 370.884 2.575 30 50 FFEA COCCN(C(=O)c1cn(-c2ccc(F)cc2)nn1)c1ccc(C#N)cc1 173271167 SSMVYPYHQKUFSA-UHFFFAOYSA-N 365.368 2.571 30 50 FFEA Cc1cc(C)nc(-n2cc(C(=O)NCC#Cc3ccccn3)c(C(C)C)n2)n1 158908311 QKDDDDMLPIRYEL-UHFFFAOYSA-N 374.448 2.579 30 50 FFEA N#Cc1ccnc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1 95352784 HJYVXNHYOYYNBF-MTNREXPMSA-N 374.444 2.749 30 50 FFEA Cc1cccc(NC(=O)CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 952872559 REAHPHAWGJPFOB-UHFFFAOYSA-N 362.433 2.544 30 50 FFEA CC(C)COCCCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 170616946 MJPSBWFCYWFMLS-CQSZACIVSA-N 367.471 2.557 30 50 FFEA C=C(C)CN(CC)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 12314313 QTPJTKMZWXVHMB-UHFFFAOYSA-N 367.409 2.873 30 50 FFEA COc1ccc2c(c1)[C@H](C)CN(CC(=O)NCc1cccc(C#N)c1)CC2 2325749384 MNUOQLQSZAAPKD-MRXNPFEDSA-N 363.461 2.845 30 50 FFEA N#Cc1cc(CC(=O)NC[C@H]2C[C@@H]3CC[C@H](C2)N3)ccc1Br 2325787575 IRVBROGWNAQZBL-XMQYKBBCSA-N 362.271 2.510 30 50 FFEA COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O 622123 DDUHZTYCFQRHIY-RBHXEPJQSA-N 352.770 2.810 30 50 FFEA biogenic,fda Cn1ncc(C#N)c1NC(=O)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 814928 BEGVJTKTZZFZEU-CYBMUJFWSA-N 364.192 2.730 30 50 FFEA C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 2984281 KYUZBEBGUFIYID-QINSGFPZSA-N 364.332 2.504 30 50 FFEA Cc1ccc(C(=O)N2CCN(/C(O)=N/[C@H](C)[C@H]3CCCOC3)CC2)s1 329394454 VGHAUGKJSWKXKP-CABCVRRESA-N 365.499 2.543 30 50 FFEA C=C(C)COc1ccc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1OC 217742562 UKJGNYCXHFFUFL-CQSZACIVSA-N 373.405 2.625 30 50 FFEA biogenic CCOC(=O)c1ccc(N/C(O)=N/S(=O)(=O)c2ccc(C)cc2)cc1 778333 RSPPBTJFGFZZBY-UHFFFAOYSA-N 362.407 2.887 30 50 FFEA COc1cc(OC)c(OC)cc1/C=N/n1c(S)nnc1-c1cccnc1 1475340 JSCIHSNWDSAYIU-VXLYETTFSA-N 371.422 2.537 30 50 FFEA CCOc1ccc(S(=O)(=O)N/N=C2\CCCC[C@@H]2c2cncnc2)cc1 1875262052 LRVZBAPZBGNXJW-STIUTOJCSA-N 374.466 2.867 30 50 FFEA O=S(=O)(NC1CC1)c1ccc(N/N=C2\C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)nc1 1875390902 AHLJSRPYYHMZGL-UIYQASQKSA-N 360.483 2.746 30 50 FFEA C#CCCC1(CCC(=O)N[C@]2(C(=O)OCC)CCc3ccccc32)N=N1 2325885758 WLKZNSADIUUGKB-HXUWFJFHSA-N 353.422 2.863 30 50 FFEA COC1=CC(=O)C[C@H](C)[C@@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O 537809 DDUHZTYCFQRHIY-WNWIJWBNSA-N 352.770 2.810 30 50 FFEA biogenic,in-vitro C[C@@H]1CN(/C(O)=N/C2CCN([C@@H]3CCCC[C@H]3O)CC2)CCC1(F)F 329629730 VEQLFQGHVPBDAH-FVQBIDKESA-N 359.461 2.645 30 50 FFEA CC/N=C(/O)N1CCC(N(CCCc2ccccc2C)CC(=O)O)CC1 328604298 JHRAKRIMFLNNNP-UHFFFAOYSA-N 361.486 2.713 30 50 FFEA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2sccc2C#N)C1 190522526 XOZNCIGMNJUWMS-ZDUSSCGKSA-N 360.508 2.979 30 50 FFEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccnc1 19582314 AYANXDOUVHIXID-INIZCTEOSA-N 371.462 2.673 30 50 FFEA N#Cc1c(-c2cnc(NC[C@@H]3CCCO3)nc2)cc(C2CCC2)nc1N 67895365 RJLAHPCFAMQRGQ-AWEZNQCLSA-N 350.426 2.851 30 50 FFEA CO[C@@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 78893150 VHDRWGBHECRWQQ-OAQYLSRUSA-N 363.461 2.980 30 50 FFEA CC[C@@H](NC(=O)c1cccc(C#CC(C)(C)O)c1)c1cn2cccnc2n1 1506418172 OAFMOVUGJCWDHN-QGZVFWFLSA-N 362.433 2.733 30 50 FFEA N#C[C@@H](NC(=O)Cc1cnn(-c2ccccc2)n1)c1c(F)cccc1Cl 1875363477 CXNCKIODTZFXHS-MRXNPFEDSA-N 369.787 2.983 30 50 FFEA C=C(C)Cn1nc(C)c(CCC(=O)N[C@H](CO)Cc2ccccc2)c1C 218217998 PBRMTBUIZXRAHK-IBGZPJMESA-N 355.482 2.728 30 50 FFEA OC[C@@H]1c2ccccc2CCN1/C(O)=N/[C@@H]1CCN(Cc2ccccc2)C1 330035498 XKXXJAHWKSJTHK-TZIWHRDSSA-N 365.477 2.767 30 50 FFEA COC(=O)c1cc(Br)c(C#N)cc1I 263624893 UYCVZNZUWLKQTI-UHFFFAOYSA-N 365.952 2.712 30 50 FFEA COCCOc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1[N+](=O)[O-] 170003714 CPNXOJYDNMSBAI-UHFFFAOYSA-N 357.599 2.573 30 50 FFEA C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C 332091956 AKXBKMLKYCNLQI-PMPSAXMXSA-N 370.501 2.783 30 50 FFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 281493500 QGRNJRFZOQOVNM-JYBIWHBTSA-N 356.466 2.694 30 50 FFEA COc1ccccc1-n1cc([C@H](C)NC(=O)N2CCC(C#N)CC2)cn1 534675678 OORWQVYHVDFGPD-AWEZNQCLSA-N 353.426 2.887 30 50 FFEA CCn1nccc1[C@@H]1OCC[C@H]1CN[C@H](Cc1ccccc1)/C(O)=N/C 328630587 JORLAHBRMWBRNE-YQVWRLOYSA-N 356.470 2.768 30 50 FFEA CO[C@H](C/N=C(/O)N1CCC[C@@H](NC(C)=O)C1)c1ccc(Cl)cc1 330984770 PKEHNUMNBLEQEJ-HZPDHXFCSA-N 353.850 2.542 30 50 FFEA Cc1nn(C)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1[N+](=O)[O-] 2782526 BPPCPJTYTXGHJO-QMMMGPOBSA-N 359.411 2.947 30 50 FFEA CN(CCOc1ccc(C#N)cc1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328621657 APRRCLLIESYEPK-GHTZIAJQSA-N 367.497 2.685 30 50 FFEA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(Cc2cccc(C#N)c2)C1 72423271 UJQOKGKUMRKTEG-IBGZPJMESA-N 364.497 2.662 30 50 FFEA COC(=O)c1cc(I)c(Br)c(C#N)c1 263623438 HLCUGVAGFUOSEB-UHFFFAOYSA-N 365.952 2.712 30 50 FFEA N#Cc1cccc(CS(=O)(=O)N2CC[C@@]3(C2)OCc2ccccc23)c1 185137672 ZVRKGZWHGTUUNN-IBGZPJMESA-N 354.431 2.519 30 50 FFEA CC1(C)C(CNC(=O)N2CCCN(c3ncccc3C#N)CC2)C1(C)C 1875262012 MPVILDWGFUPHAM-UHFFFAOYSA-N 355.486 2.857 30 50 FFEA O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 2887424 RZNYHTATYSEUEX-UHFFFAOYSA-N 372.185 2.910 30 50 FFEA C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO 71257352 ZYTXTXAMMDTYDQ-YDOWFDMNSA-N 356.462 2.753 30 50 FFEA Cc1nc(N2CCN(c3ncccc3C#N)CC2)ccc1Br 271749070 RYEAXGPGGJNUOL-UHFFFAOYSA-N 358.243 2.746 30 50 FFEA C=CCN1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 16671010 LGEFNBRRCXRSDH-YRNVUSSQSA-N 352.393 2.696 30 50 FFEA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)c1ccc(C#N)cn1)CC2 328655423 YKEQRINKFLJHDN-INIZCTEOSA-N 367.478 2.536 30 50 FFEA C#CCCC1(CCC(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)N=N1 2325885227 BHKBXFSTDGRLPL-UHFFFAOYSA-N 374.391 2.605 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc([C@@H](O)c3nccn3C)cc2)N=N1 2325900253 RAEVQKLWXGNPRO-QGZVFWFLSA-N 351.410 2.796 30 50 FFEA C#CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101021168 BMHHPDWORMWWTC-LKUXTKQQSA-N 370.408 2.993 30 50 FFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cnn(C)c1C 2759198 MKVRPTQVCYBAOQ-QGZVFWFLSA-N 357.454 2.896 30 50 FFEA C=C(C)CN(C)Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nc2sccn12 71764772 CBYGYOPCAKYCCN-OKILXGFUSA-N 362.499 2.653 30 50 FFEA CC[C@@]12OC(=N)[C@@](C#N)([C@@H]1C)C(C#N)(C#N)[C@H](c1ccc([N+](=O)[O-])cc1)O2 230042057 OIUQJVXWKRBEHP-MNKNLDABSA-N 365.349 2.960 30 50 FFEA C=CC[C@H](NC(=O)c1cc(OC)c(Br)s1)C(=O)OCC 170594723 CHRWGDHHYCBPRQ-QMMMGPOBSA-N 362.245 2.757 30 50 FFEA COc1ccc(-c2csc3nc(C)n(/N=C/N(C)C)c(=O)c23)cc1OC 4174351 XYRKELZMDRLTBZ-VXLYETTFSA-N 372.450 2.804 30 50 FFEA C=CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)NCc2ccsc2)c1=O 12333729 CIWNGAOCHALPFY-ZDUSSCGKSA-N 373.478 2.727 30 50 FFEA C=CCC(=O)N1C[C@@H](C)CN(C(=O)C(Br)=C(C)C)C[C@@H]1C 2325878314 KWBZKHLYHNGAKW-STQMWFEESA-N 357.292 2.947 30 50 FFEA C=CCOC(=O)c1sc(NC(=O)COc2ccc(OC)cc2)nc1C 2891989 RKXVEYKQPHNXLD-UHFFFAOYSA-N 362.407 2.820 30 50 FFEA Cc1nn(C)c(C)c1[C@H]1CCCN1[C@H]1CCN(c2sccc2C#N)C1=O 246350576 FYKCNZROTJPYAU-CVEARBPZSA-N 369.494 2.913 30 50 FFEA 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366.377 2.517 30 50 FFEA C=CCN(Cc1ccccc1OC)C(=O)c1cc2n(n1)CCCN(C)C2 65467644 GXWRHUPINKKIER-UHFFFAOYSA-N 354.454 2.556 30 50 FFEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2nc3ccccc3nc2C)C1 328613139 QWEYBGIGJFCRNW-GOSISDBHSA-N 352.398 2.712 30 50 FFEA CCN(CC)c1ccc(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 244899401 ZJFAFNLKQZZYEM-IPJCAIGPSA-N 363.461 2.920 30 50 FFEA CNC1=C(N(Cc2ccccc2OC)C(C)=O)C(=O)c2ccccc2C1=O 100939831 ZTMIQNLIKZVKSG-UHFFFAOYSA-N 364.401 2.554 30 50 FFEA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2nc3c(cc2C#N)CCC3)C1 364220883 VPNHJBGQDYYWCC-CQSZACIVSA-N 350.426 2.507 30 50 FFEA C=CCCO[C@@H](C)C(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 952892139 KRLVOXUCFXMMMY-HNNXBMFYSA-N 369.469 2.564 30 50 FFEA CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cccc(F)c2)C1=O 589683 IJWPAFMIFNSIGD-UHFFFAOYSA-N 361.394 2.719 30 50 FFEA investigational CN(Cc1cc(C#CCO)cs1)CC1(N2CCOCC2)CCCCC1 828644611 LRJAJTIDCOMUPE-UHFFFAOYSA-N 362.539 2.559 30 50 FFEA N#Cc1ccc(O[C@@H]2CCN(C(=O)NC3CCC(C(F)F)CC3)C2)nc1 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C=CCn1nc(C(=O)O)c2c1CC[C@H](N1CCC(c3ccncc3)CC1)C2 67895983 SWQXXDMTRDIYDD-KRWDZBQOSA-N 366.465 2.899 30 50 FFEA C[C@@H]1CN(C2CCOCC2)CCN1C(O)=Nc1cnc2c(c1)CCCC2 330197497 RVNYAZZGBJHDAJ-OAHLLOKOSA-N 358.486 2.691 30 50 FFEA C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@H]1COc2ccccc2O1 241326079 LZCFIMIYHLFUGG-YOEHRIQHSA-N 351.406 2.657 30 50 FFEA Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(F)c(F)c3O)CC2)o1 457298339 SKYCTHBWGHLIMS-UHFFFAOYSA-N 362.336 2.694 30 50 FFEA Cc1csc(C2=C(N)N(c3cccc(Br)c3)CC2=O)n1 12324946 NJYLUYDGLROFMJ-UHFFFAOYSA-N 350.241 2.931 30 50 FFEA O=C1CN2C(=C1c1ccccc1)NC(=O)c1cc(Br)ccc12 101090362 IONUEJMNXSAKTG-UHFFFAOYSA-N 355.191 2.950 30 50 FFEA CC(C)CCOc1cc(N)c([N+](=O)[O-])cc1B1OC(C)(C)C(C)(C)O1 170003335 PDEJSHYXZKBCCM-UHFFFAOYSA-N 350.224 2.901 30 50 FFEA Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)cc1 330252904 OMYWLLFHFSKLAD-SQNIBIBYSA-N 361.511 2.678 30 50 FFEA C=CCc1cc(-c2c(C#N)c(N)nc3c2CNCC3)cc(OC)c1OCC 72141789 OZAQVSHTCUHNBW-UHFFFAOYSA-N 364.449 2.984 30 50 FFEA 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30 50 FFEA Cc1c(C#N)c2ccccc2n1CC(=O)N1CCC[C@@H](c2nccn2C)C1 82133920 VTIHCCCMTFPMCF-MRXNPFEDSA-N 361.449 2.961 30 50 FFEA C=CCN1CC[C@]2(CCC1=O)CN(C(=O)Nc1ccc(F)cc1)CCN2C 91320522 DGMGNGNFYQOKTM-HXUWFJFHSA-N 374.460 2.542 30 50 FFEA CC(C)c1noc([C@H](NC(=O)c2cccc(C#N)c2)C2CCOCC2)n1 275311770 NSWRPJCIEFWDTO-MRXNPFEDSA-N 354.410 2.962 30 50 FFEA COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C#N)cc1)c1ccc(F)cc1F 1875254035 OTIJVICKRPSIES-LZLYRXPVSA-N 370.355 2.970 30 50 FFEA C#CC1(OC[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CCCCC1 12419858 WQHUJXMQMAMHMD-HXUWFJFHSA-N 372.509 2.531 30 50 FFEA N#Cc1cccnc1N1CCN(c2cccc(-n3cccc3)c2C#N)CC1 2325867133 LYVUCRKKIIFGOS-UHFFFAOYSA-N 354.417 2.942 30 50 FFEA C=CCNS(=O)(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 4852258 VZGZSIANLYDVIT-UHFFFAOYSA-N 374.462 2.785 30 50 FFEA C#CCOc1ccc(C(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1 6755851 XXSRGUNRVREVMH-UHFFFAOYSA-N 363.373 2.687 30 50 FFEA N#Cc1ccccc1-c1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)o1 9010337 QUFBCEBHGUHEIM-VURMDHGXSA-N 350.290 2.686 30 50 FFEA CC(C)(O)C#Cc1ccc(CN2CC[C@@H](N3CCCCCC3)[C@H](O)C2)cc1 11878377 GHFMSYVQLVGHPD-FGZHOGPDSA-N 370.537 2.620 30 50 FFEA Cc1ccc(C(=O)O/N=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 12954479 GRLXBOLSGWTWCM-MOSHPQCFSA-N 369.377 2.931 30 50 FFEA COc1ncc(NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 169969086 YXKLQBQOGNKZGB-UHFFFAOYSA-N 350.224 2.736 30 50 FFEA C#CCCC1(CCNC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)N=N1 2325887283 BCLGCIPMNIKHAO-UHFFFAOYSA-N 366.377 2.808 30 50 FFEA Cc1ccc(N/C(S)=N\CCc2ccc(S(N)(=O)=O)cc2)cc1C 8682774 HOGQMFQJKXASIC-UHFFFAOYSA-N 363.508 2.891 30 50 FFEA Cc1ccc(NS(=O)(=O)c2cccc(Br)c2C#N)nc1 242389434 ZXFWMAZPZVGQKU-UHFFFAOYSA-N 352.213 2.825 30 50 FFEA CC(=O)c1cccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)c1 222466305 WRRBDDRCJNGOAS-WOJBJXKFSA-N 364.401 2.727 30 50 FFEA Cc1cc(N2C[C@@H]3CN(C4CCCCC4)C[C@]3(C(=O)O)C2)nc(C)c1C#N 1615752303 PNDGNHLPJYPDEG-KKSFZXQISA-N 368.481 2.726 30 50 FFEA C#CCN1CC[C@H](N2CCC(c3nc4ccccc4[nH]3)CC2)CCC1=O 11912199 LXDGASJDIBSJMZ-QGZVFWFLSA-N 350.466 2.757 30 50 FFEA Cn1ncc(C#N)c1NC(=O)[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 814929 BEGVJTKTZZFZEU-ZDUSSCGKSA-N 364.192 2.730 30 50 FFEA C[C@@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1cccc(O)c1 112456775 MWKMVTSMXJPPDJ-CQSZACIVSA-N 368.412 2.996 30 50 FFEA C[C@H](/N=C(/O)N1CCCC[C@@H]1c1nnc2n1CCCC2)C1=CCN(C)CC1 329712379 PYUGEBZLDLALPF-DOTOQJQBSA-N 372.517 2.706 30 50 FFEA N#Cc1ccccc1N1C[C@H](Cc2ccccc2)N(C(=O)C2CC2)CC1=O 82148387 YQMXRFOEKSHNFP-IBGZPJMESA-N 359.429 2.755 30 50 FFEA Cc1cc([N+](=O)[O-])c(C#N)cc1NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 408517012 NXODMYZNVVGONN-IBGZPJMESA-N 365.345 2.885 30 50 FFEA C#CCCC1(CCNC(=O)c2nccn2Cc2ccc(OC)cc2)N=N1 2325891353 BCPRCHGYDXDHEO-UHFFFAOYSA-N 351.410 2.635 30 50 FFEA OCC#Cc1ccc(-c2cn(Cc3ccc4c(c3)CCCO4)nn2)s1 91476274 GLCAVZABDFJOPF-UHFFFAOYSA-N 351.431 2.724 30 50 FFEA C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H]1CC[C@]2(O)C(=O)CF 257357273 MYHOAFKYKANCBW-GYKIMFSQSA-N 364.457 2.759 30 50 FFEA Cc1ccc(/C=N/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccccc3C)S2)o1 5101462 GTSBQWPISLNAQS-GDXCHIGESA-N 370.434 2.847 30 50 FFEA COc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1ccc(Cl)cc1 2390800 XBTZHDJDKPHCCH-DJKKODMXSA-N 363.826 2.735 30 50 FFEA Cc1sc(Br)c(/C(O)=N/[C@H]2COC[C@H]2n2ccnn2)c1C 329134926 QHBMRYFNUMCGAY-VHSXEESVSA-N 371.260 2.664 30 50 FFEA Cc1nn(C)c(C)c1[C@@H](NC(=O)c1cc(O)cc(C#N)c1)C(F)(F)F 1875357548 LGNUYXYRFNDFNG-CQSZACIVSA-N 352.316 2.648 30 50 FFEA Cc1ccc(Cn2c(=N)c(C#N)cc3c(=O)n4cccc(C)c4nc32)cc1 702319 CAVDNCZIJBTTEN-UHFFFAOYSA-N 355.401 2.665 30 50 FFEA C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1 6703883 IDRXZIHNEYTADY-UHFFFAOYSA-N 357.435 2.697 30 50 FFEA C=CCC[C@@H](CN(C)C1CCN(C)CC1)Oc1ccnc(OC)c1C#N 67974224 KJZJRRICLVSRDP-KRWDZBQOSA-N 358.486 2.701 30 50 FFEA COC(=O)[C@@H](NC(=O)CSc1nc(C)cc(C)c1C#N)c1ccccc1 6659330 VKWLLMQQFQGNHU-KRWDZBQOSA-N 369.446 2.693 30 50 FFEA CCn1nc(C(C)C)cc1C(=O)N1CCN(c2cccc(C#N)c2)CC1 91997190 KGANRGACGGBKNI-UHFFFAOYSA-N 351.454 2.860 30 50 FFEA CC(C)CC1=NN(C(=O)COc2ccc(C#N)cc2)[C@](O)(C(F)(F)F)C1 5064885 XOPZECPTNFAVCK-MRXNPFEDSA-N 369.343 2.822 30 50 FFEA COc1ccc(CN[C@H]2CC[C@H](C(F)(F)F)N(C(C)=O)C2)cc1C#N 886065754 SPQHMSHDDGLNGH-GOEBONIOSA-N 355.360 2.598 30 50 FFEA COC(=O)CCn1cc(-c2c(C)c(-c3ccc(C)o3)nc(N)c2C#N)cn1 71765431 KZYDRSYHQDHAAE-UHFFFAOYSA-N 365.393 2.839 30 50 FFEA C=CCCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95370137 YPFXGLGPWGCTJQ-ZLGUVYLKSA-N 354.450 2.770 30 50 FFEA Brc1cc2c(cc1CO/N=C1\CCCc3nonc31)OCO2 4594227 WLTVAKUDLLHQPS-MHWRWJLKSA-N 366.171 2.818 30 50 FFEA C=CCOn1c(=O)c(-c2ccc(Br)cc2)[n+]([O-])c2ccccc21 1816012 GTNNSUDGWQAVBN-UHFFFAOYSA-N 373.206 2.679 30 50 FFEA CCOC(=O)c1cnn(-c2ncnc3sc(C)c(C)c23)c1/N=C/N(C)C 8656208 VLPSGABPGSATPJ-AWQFTUOYSA-N 372.454 2.892 30 50 FFEA COCCN(C[C@H]1CCCO1)C(=O)c1ccc(-c2cc(C#N)ccn2)cc1 426414882 VZYBLOPZIQCPJM-LJQANCHMSA-N 365.433 2.888 30 50 FFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c(OCC)c1 632634 XCDATYWEFJOKFG-MRXNPFEDSA-N 373.405 2.645 30 50 FFEA C#CCOc1ccc(C(=O)N[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc1 225644276 AMEZJYQKXZKVFB-AWEZNQCLSA-N 361.405 2.678 30 50 FFEA Cc1n[nH]cc1C/N=C(/O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328616660 BYUGWURHXBNZDN-LLVKDONJSA-N 370.379 2.542 30 50 FFEA CC(C)(C#N)CCCS(=O)(=O)c1nnc(NCc2ccco2)s1 170600086 WWAMWNCTSGWUDS-UHFFFAOYSA-N 354.457 2.847 30 50 FFEA Cc1[nH]c(C#N)cc1C(=O)N1C[C@@H]2CCC[C@]2(c2nc(C(C)C)no2)C1 846558958 HGGLAXBLDARQGF-DJJJIMSYSA-N 353.426 2.895 30 50 FFEA C=CC(=O)N1CCC(C(=O)NCC#Cc2ccccc2)(c2ccccc2)CC1 847310574 KPOURKZZHJJWJY-UHFFFAOYSA-N 372.468 2.901 30 50 FFEA COc1ccc([C@H](NC(=O)C2(C#N)CCOCC2)c2ccncc2)cc1 299792413 DXQUDJKLSRQYOI-SFHVURJKSA-N 351.406 2.616 30 50 FFEA C=CCN1CCC[C@H]1C(=O)N1CCC2(CC1)OCCc1cccc(OC)c12 1704343723 YIZWKBKPNHNQPE-SFHVURJKSA-N 370.493 2.736 30 50 FFEA NC(=S)N/N=C1\C[C@@H](c2ccc3c(c2)OCCO3)Oc2ccc(F)cc21 13635317 PJMFWFQNKWVXOR-REIAIGDLSA-N 373.409 2.658 30 50 FFEA C=CCNC(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 14968205 QSQSPOVIWSDMJZ-HXUWFJFHSA-N 367.537 2.632 30 50 FFEA N#C[C@H](NC(=O)Cc1cnn(-c2ccccc2)n1)c1c(F)cccc1Cl 1875363476 CXNCKIODTZFXHS-INIZCTEOSA-N 369.787 2.983 30 50 FFEA COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccco2)cc1OC 1097768 UVXZICPBUYVOPH-QGZVFWFLSA-N 357.362 2.781 30 50 FFEA N#Cc1cccc(-c2nnc(N3C[C@@H]4C[C@H]3[C@H]3C[C@H]34)n2C[C@H]2CCCO2)c1 2325839448 UOLKYOIAIZLCBK-PJVZLEMVSA-N 361.449 2.840 30 50 FFEA CCCCN(CC#Cc1ccccc1)C(=O)Cc1c(C)nc(N)nc1C 55243520 VVSJXFIWOLEQMT-UHFFFAOYSA-N 350.466 2.899 30 50 FFEA O=S1(=O)CCCC[C@H]1CN/C(O)=N/C[C@H]1CCCC[C@H]1C(F)(F)F 329515399 DFGLKUUVTVGPHO-FRRDWIJNSA-N 370.437 2.826 30 50 FFEA N#C[C@H](C(=O)NC1CCCCC1)C(=O)c1cccc(OCC(F)(F)F)n1 123982060 JHEHVMJGOUUBGU-LBPRGKRZSA-N 369.343 2.794 30 50 FFEA COC(=O)c1cc(NC=C2C(=O)c3ccccc3C2=O)cc(C(=O)OC)c1 1150766 LFGDFKJCUQBADU-UHFFFAOYSA-N 365.341 2.635 30 50 FFEA CC(C)(O)C#Cc1ccc(-c2c(-c3ccccc3)ncn2CC(N)=O)s1 65491368 IKNRBEAMWRKYLV-UHFFFAOYSA-N 365.458 2.886 30 50 FFEA CCn1c(CN(C)C)nnc1C1CCN(Cc2cccc(C#N)c2)CC1 77536603 HTSLVPACJVNTKP-UHFFFAOYSA-N 352.486 2.611 30 50 FFEA C=CCN(Cc1nc(-c2ccc(C)o2)oc1C)[C@@H]1CCS(=O)(=O)C1 20855771 KRNLRZWCZXZAOU-CQSZACIVSA-N 350.440 2.727 30 50 FFEA C[C@@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)c1ccc2c(c1)CCC2 82120756 PPTUFBLAWPWWLE-OAHLLOKOSA-N 359.429 2.924 30 50 FFEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCCc1cccs1)C2 19220436 RBTFGMMUSDZZPX-CQSZACIVSA-N 358.511 2.522 30 50 FFEA C=CCCC(=O)N1CCC[C@]2(C1)CN(C(=O)c1cccc(F)c1)CC[C@H]2O 1857702754 BROSTXWMCPKTJR-NQIIRXRSSA-N 374.456 2.608 30 50 FFEA Cn1c(NN=C(O)CCn2cnc3sccc3c2=O)nc2ccccc21 328592085 XTNRZCAUYZEJJS-UHFFFAOYSA-N 368.422 2.718 30 50 FFEA COCc1nc([C@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@@H]2C2CC2)n[nH]1 952888630 UKOPBPGTNBVUOD-CVEARBPZSA-N 355.417 2.587 30 50 FFEA CCCS(=O)(=O)Nc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1 277561266 PJYAEZFGBWHEMY-MRXNPFEDSA-N 363.483 2.993 30 50 FFEA CN(c1ccc(C#N)c(C(F)(F)F)n1)C1CCN(c2cnccn2)CC1 2325780588 XKWQEKWDIWZWDI-UHFFFAOYSA-N 362.359 2.867 30 50 FFEA C#CCCC1(CCC(=O)N[C@H](CC(C)C)C(=O)Nc2c(C)n[nH]c2C)N=N1 2325900290 SLYCJJJZRQHVAB-OAHLLOKOSA-N 372.473 2.852 30 50 FFEA Cc1cc(C)c(C#N)c(N2CCN(Cc3cccc4nsnc34)CC2)n1 65492302 MKOFCASRXHPLFL-UHFFFAOYSA-N 364.478 2.897 30 50 FFEA CCN(CC/N=C(/N)NCc1ccc(OC)c(OC)c1)c1cccc(C)c1 303790408 WGGKWZBBZQFCDH-UHFFFAOYSA-N 370.497 2.943 30 50 FFEA N#Cc1ccsc1NC(=O)CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 276155060 ZTIMTFRDSAHMRA-OAHLLOKOSA-N 355.467 2.997 30 50 FFEA Cc1ccccc1/C(O)=N/[C@H](C(=O)N1CCC[C@H]2C(O)=NC[C@H]21)C(C)C 328586478 BJZMAYRRJYLGKU-ZACQAIPSSA-N 357.454 2.902 30 50 FFEA N#Cc1ccc(N2CC[C@H](N3CCO[C@H](c4cccc(F)c4)C3)C2=O)cc1 245403725 MTLHDOCGPLZSOR-PMACEKPBSA-N 365.408 2.876 30 50 FFEA C#CCOc1cccc(-c2noc([C@@H]3CCCN(C(=O)C4CC4)C3)n2)c1 225592537 LAQVBJKSAWSFCT-MRXNPFEDSA-N 351.406 2.865 30 50 FFEA Cn1cc(C#N)cc1C(=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1506408597 NOHYSDKZQRGDRI-UHFFFAOYSA-N 351.385 2.932 30 50 FFEA COc1ccnc(N2CCN(c3nc4c(cc3C#N)CC[C@@H](C)C4)CC2)c1 2325825489 RHWNNBADBSKPGG-OAHLLOKOSA-N 363.465 2.808 30 50 FFEA Cc1noc(C)c1C[C@H](C)/N=C(/O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 329648020 BMHQYPTZZHIRET-POHZPAGDSA-N 373.457 2.522 30 50 FFEA Cc1c(Br)c(C)n(NC(=O)C[C@H]2C=CCC2)c(=O)c1C#N 408515262 XTGPJPPCMXQQMO-NSHDSACASA-N 350.216 2.526 30 50 FFEA C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccnc(C#N)c2)CC1 193158836 VIQKCUYQGIWSKV-ZDUSSCGKSA-N 356.376 2.750 30 50 FFEA C=CCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC)C1=O 5027528 ILGDKUPXBQQWMP-BENRWUELSA-N 372.475 2.514 30 50 FFEA OC[C@]1(F)CCN(/C(O)=N/Cc2cccc(CN3CCCCCC3)c2)C1 328722802 XTYLHGQCHKWZAV-FQEVSTJZSA-N 363.477 2.883 30 50 FFEA CCN1C[C@]2(C[C@@H](O)[C@H](NCc3ccc(OC)c(C#N)c3)C2)[C@@H]1C(C)C 922392580 DYJCLKSSUIFDMU-QCFAMHMHSA-N 357.498 2.526 30 50 FFEA C#CCOc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1 2992623 ZLYWRPFGOCQURR-GHRIWEEISA-N 362.410 2.530 30 50 FFEA Cn1ccnc1C(=O)[C@@H]1CCCN(Cc2ccc(C#CC(C)(C)O)s2)C1 670462247 BBXOKSNRECMDGO-OAHLLOKOSA-N 371.506 2.699 30 50 FFEA C/N=C1/S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1C 1062669 VRJFHLVDSMVMRO-KBGIPRRMSA-N 355.213 2.710 30 50 FFEA C=CCn1c(S)nc2cc(C(=O)N3C[C@H]4CCC[C@@H]4C3)ccc2c1=O 153793731 YWEOCTDKQCYDMJ-ZIAGYGMSSA-N 355.463 2.743 30 50 FFEA N=C(N/N=C/c1ccccc1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O 16309424 LEIVYVJGMUDIOA-RVZJCZPVSA-N 352.419 2.610 30 50 FFEA O/C(=N/Cc1ccsc1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328616792 CASGVGYKLAIVAV-MRXNPFEDSA-N 373.482 2.626 30 50 FFEA C#CCCC1(CCC(=O)N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)N=N1 2325892249 GBTPDBGCOXADER-UHFFFAOYSA-N 370.428 2.774 30 50 FFEA COc1cccc2c1CC[C@H]2/N=C(/O)N1CCN(Cc2cscn2)CC1 329923682 HEFSGLDFAJGKCU-QGZVFWFLSA-N 372.494 2.871 30 50 FFEA C=CC[C@@]12C[C@@H](OC1=O)[C@@H]1[C@@H](CC=C3CC4(CC[C@]31C)OCCO4)C2=O 253595701 HPJIPJBUJISTCO-WVPQZDDBSA-N 358.434 2.943 30 50 FFEA N#Cc1cc(Br)c(I)cc1C(=O)O 263622806 BBNZJFXNYZMEPL-UHFFFAOYSA-N 351.925 2.624 30 50 FFEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1ccccc1N1CCC(=O)NC1=O 55134336 UKELLXBJIBODMC-HUUCEWRRSA-N 353.422 2.868 30 50 FFEA Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)cc(C)n1 1565528670 AQGBCMXBVURACG-OALUTQOASA-N 351.406 2.536 30 50 FFEA COc1ccccc1NC(=O)C[C@@H]1S/C(=N\N=C2CCCC2)NC1=O 5486208 CUCHINYTBFICSV-AWEZNQCLSA-N 360.439 2.541 30 50 FFEA C#CCCC1(CCC(=O)NC[C@@H]2[C@@H](C(=O)OC)[C@@H]2c2ccccc2)N=N1 2325893494 RVNSVRXLBIENJI-CGTJXYLNSA-N 353.422 2.661 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)C(=O)c2ccc(C#CC(C)(C)O)cc2)cc1 1884010 RCYRZSSIUZIBMT-UHFFFAOYSA-N 374.436 2.997 30 50 FFEA COCCN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2cc(C#N)ccn2)cc1 426414879 VZYBLOPZIQCPJM-IBGZPJMESA-N 365.433 2.888 30 50 FFEA CCS(=O)(=O)c1ccc2c(c1)NC(=CC(=O)c1ccc(C)cc1)C(=O)O2 2082929058 OLGWUQVVEHVYAE-UHFFFAOYSA-N 371.414 2.886 30 50 FFEA COC[C@@H]1CCCN1C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21 252462275 REILRXPTAKYZGI-QPZSCLIPSA-N 363.498 2.624 30 50 FFEA biogenic CC(C)c1ocnc1C(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C#N)cc1 1565512750 VNMTWIUTIORFCA-HOTGVXAUSA-N 355.394 2.636 30 50 FFEA O=[N+]([O-])c1ccn([C@@H]2CCCC/C2=N\N=c2nc(-c3ccccc3)[nH]o2)n1 1875261602 BUIDNRYSNMKDAU-NFECSFHCSA-N 367.369 2.846 30 50 FFEA C[C@]1(C2CC2)CC(=O)N(CC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 20654242 XQTMUWKZHLOFKM-NRFANRHFSA-N 365.477 2.719 30 50 FFEA CC(C)(O)C#Cc1ccc(CN2CCCN(C(=O)C3CCC3)CC2)s1 65399161 XWTUGATXVGOLSF-UHFFFAOYSA-N 360.523 2.705 30 50 FFEA NC(=S)N/N=C1\C[C@H](c2ccc3c(c2)OCCO3)Oc2ccc(F)cc21 13635315 PJMFWFQNKWVXOR-WMRWHDLOSA-N 373.409 2.658 30 50 FFEA O=C1Nc2cc([N+](=O)[O-])ccc2N/C1=C\C(=O)c1ccc([N+](=O)[O-])cc1 18046821 RPOSXGCRUIHYBU-ZSOIEALJSA-N 354.278 2.634 30 50 FFEA C[C@H]1CN(c2cc(N3C[C@H](C)O[C@H](C)C3)c([N+](=O)[O-])cc2C#N)C[C@@H](C)O1 252549627 RLHRZRZIDKWMDT-NMWPEEMBSA-N 374.441 2.694 30 50 FFEA C=C(CO)[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 253499340 FHMTWLTWUUIXDI-YRCTWBNTSA-N 360.494 2.769 30 50 FFEA biogenic O=C1C=C[C@H](Nc2ccc([N+](=O)[O-])cc2)[C@H]1Nc1ccc([N+](=O)[O-])cc1 5014557 NTRZVTZLASRAHE-DOTOQJQBSA-N 354.322 2.903 30 50 FFEA N#CCCN(C1CCCCC1)S(=O)(=O)c1cccc2nsnc12 2321596 LMIRENSXTBECOH-UHFFFAOYSA-N 350.469 2.928 30 50 FFEA C=CCn1nc(CCCO)nc1-c1nc(CC)sc1Br 1875335687 CPMNROXZFZJOMG-UHFFFAOYSA-N 357.277 2.837 30 50 FFEA CN(C)C(=O)C1(C(O)=NNc2ncnc3sc4c(c23)CCCC4)CC1 328591279 DPQILZDYXXXKHR-UHFFFAOYSA-N 359.455 2.722 30 50 FFEA N#Cc1ccc(N2CCC(C(=O)N[C@H]3CC34CCOCC4)CC2)c(F)c1 333966074 QQFPSMHDOJGRPJ-SFHVURJKSA-N 357.429 2.599 30 50 FFEA Cn1ccc(N2CCC[C@@H](O/N=C/c3ccccc3OC(F)F)C2=O)n1 170642530 CMIODXQMQGKTON-XLTHYULKSA-N 364.352 2.568 30 50 FFEA O=C1N/C(=N\N=C\c2ccccc2F)S[C@@H]1Cc1cccc([N+](=O)[O-])c1 18209064 GBAJZGFOTIVNJV-GDXCHIGESA-N 372.381 2.898 30 50 FFEA CC1(C)O[S@](=O)O[C@@H]1COc1c2ccoc2cc2oc(=O)ccc12 2049252063 ILWHZPBGKDWLME-YEBMWUKDSA-N 350.348 2.691 30 50 FFEA COc1cccc(/C=N\NS(=O)(=O)c2ccc(CC(C)C)cc2)c1O 17074589 BYKOJAXLCLIQAC-UNOMPAQXSA-N 362.451 2.912 30 50 FFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)cc1 2057130 PGRXLUNHDKOPDJ-SFHVURJKSA-N 357.406 2.550 30 50 FFEA N#Cc1cccc(CN2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)c1 71779883 LZUTWLVLJSXGQQ-UHFFFAOYSA-N 373.460 2.871 30 50 FFEA COc1ccc(-c2nnc(S)n2/N=C/c2ccc(C(=O)O)cc2)cc1 5578666 VITSTBJSRAANKA-VCHYOVAHSA-N 354.391 2.823 30 50 FFEA CN(C)Cc1cc(O[C@H]2CCN(Cc3cc(C#N)ccc3F)C2)ccn1 886096648 MZCMUVKRMCIJGY-IBGZPJMESA-N 354.429 2.807 30 50 FFEA C=CCn1nc(C(=O)O)c2c1CC[C@@H](N1CCOc3ccccc3C1)C2 67434114 BKQRWTQYQVFSFX-OAHLLOKOSA-N 353.422 2.519 30 50 FFEA COCCN1CCC[C@@]2(CCN(c3nc(C(C)C)ccc3C#N)C2)C1=O 91973991 DGIPADRJUSCYDG-FQEVSTJZSA-N 356.470 2.542 30 50 FFEA C=CCn1c(=O)c(CN2CCN(CC)CC2)cc2cc3c(cc21)CCC3 19810080 JMZXYMQEKFZAKN-UHFFFAOYSA-N 351.494 2.814 30 50 FFEA C=CCOC(=O)c1sc(NC(=O)COc2ccccc2OC)nc1C 2910602 IWOTUEPSBQPLPR-UHFFFAOYSA-N 362.407 2.820 30 50 FFEA CN(CCOc1ccccc1C#N)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328648978 UVGWXIRVMZFDCZ-FPOVZHCZSA-N 350.466 2.957 30 50 FFEA COc1ccc(-c2nnc(CO/N=C(/N)[C@H]3CCO[C@@H]3C(C)(C)C)o2)cc1 170613178 LVDDJVDAGPAIPY-HOCLYGCPSA-N 374.441 2.985 30 50 FFEA N#Cc1ccc(C(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)cc1 1529178891 UEEZTZRXEFTQNI-NQIIRXRSSA-N 357.413 2.782 30 50 FFEA C[C@@H](/N=C(/NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)C(=O)O 8671484 XJJYRBBPLOPBOW-LLVKDONJSA-N 366.826 2.538 30 50 FFEA Cc1cc(N2CCN(c3ncccn3)CC2)n2c(nc3ccccc32)c1C#N 787949 JMDOVCFDDHVOSC-UHFFFAOYSA-N 369.432 2.784 30 50 FFEA CC[C@@H]1CCc2c(sc(NC(=O)CN3CCN(CC)CC3)c2C#N)C1 20581427 GJPILIXFOHTXOH-CQSZACIVSA-N 360.527 2.711 30 50 FFEA C=CCn1cc(CN2CCC(Oc3ccccc3F)(C(=O)O)CC2)cn1 72457183 HIJMUADQEZLMII-UHFFFAOYSA-N 359.401 2.706 30 50 FFEA Cc1cc(C)c(C#N)c(-c2cccc(C(=O)NCCCn3ccnn3)c2)n1 426643068 WAHSTOYDBRALTR-UHFFFAOYSA-N 360.421 2.649 30 50 FFEA Cc1cccc(CN2CCN(Cc3cc(C#CCO)cs3)[C@H](C)C2=O)c1 828644618 MJGICCUREJXVRQ-QGZVFWFLSA-N 368.502 2.633 30 50 FFEA Cc1ccc(Br)cc1C(=O)NCCNc1ccc(C#N)cn1 742043576 CGDXAOLEHNMLPG-UHFFFAOYSA-N 359.227 2.866 30 50 FFEA C=CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])SC1=S 13633039 XODLEJGIJLBUTJ-QPEQYQDCSA-N 366.420 2.999 30 50 FFEA C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC(O)(CC#N)C1 225424297 BPAWSDDGCFVUSQ-SNVBAGLBSA-N 352.316 2.777 30 50 FFEA C#CC[C@H](NC(=O)Nc1ccc(N2CCN(C3CC3)CC2)cc1)C1CC1 2325805900 CEGZZFYFAMEJEM-FQEVSTJZSA-N 352.482 2.894 30 50 FFEA C#CCCC1(CCNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)N=N1 2325900188 OFVYMWMWWKCRCA-UHFFFAOYSA-N 365.393 2.543 30 50 FFEA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccncc2)C2=C(CCCC2=O)N1 100449306 KWSACYXBMDOFEG-DNVCBOLYSA-N 368.433 2.772 30 50 FFEA Cc1ccc(CNC(=O)c2c(O)c3ccccc3n(CCC#N)c2=O)cc1 170624784 NGFRKBNVUITHEW-UHFFFAOYSA-N 361.401 2.859 30 50 FFEA CS(=O)(=O)C1(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)CCC1 332491067 SRYFIBSBZPOYSN-LLVKDONJSA-N 361.250 2.642 30 50 FFEA CCOC(=O)N1CCN(C(=O)c2cccc(-c3ccc(C#N)nc3)c2)CC1 426521515 SMZWMLGTJPIXTD-UHFFFAOYSA-N 364.405 2.535 30 50 FFEA CSC(N)=NN=Cc1cc(Br)cc(Br)c1O 252680219 XQMJSDXMUFHKER-UHFFFAOYSA-N 367.066 2.929 30 50 FFEA CC(C)(C)CN1CCC[C@@]2(CCN(Cc3ccc(C#CCO)s3)C2)C1=O 12055285 OHIVHXHLXMXTBH-NRFANRHFSA-N 374.550 2.953 30 50 FFEA COc1ccc(NC(=O)CSc2nc3c(cc2C#N)CN(C)CC3)cc1 19852711 KLJPHYWKWWUFMB-UHFFFAOYSA-N 368.462 2.681 30 50 FFEA aggregator COc1cc(-c2nnc(S)n2/N=C/c2ccco2)cc(OC)c1OC 5558426 WPPGQXRWYOGHEA-RQZCQDPDSA-N 360.395 2.735 30 50 FFEA COCc1ccc(NC(=O)NC[C@@H]2Cc3ccccc3CO2)cc1C#N 888100475 QXGBHMXELDOHDI-IBGZPJMESA-N 351.406 2.968 30 50 FFEA COC[C@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC(C)(C)O1 417144773 WEQRZOZEPYZVBB-OAHLLOKOSA-N 360.458 2.590 30 50 FFEA Cc1nccn1-c1ccccc1Cn1ccc2nc(O)c(C#N)cc2c1=O 67758725 XWSKMMAIUWYKSP-UHFFFAOYSA-N 357.373 2.516 30 50 FFEA N#Cc1ccccc1CN1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 71738547 QZTGEGAWRNRQBW-LJQANCHMSA-N 366.509 2.513 30 50 FFEA O/C(=N/Cc1nc(C(F)(F)F)n[nH]1)N1CCC[C@@H](c2nccs2)C1 330165869 XJGZFCOIHSHFMT-MRVPVSSYSA-N 360.365 2.574 30 50 FFEA COc1ccc(C=NN2CCN(Cc3ccccc3)CC2)c(OC)c1OC 244716146 LJGNYSMRPNCQDB-UHFFFAOYSA-N 369.465 2.864 30 50 FFEA C/C(O)=N/C[C@@H]1CCn2ncc(C(=O)N3CCc4ccc(C)cc43)c2C1 328602340 BEDAXSLPCNPWCH-OAHLLOKOSA-N 352.438 2.933 30 50 FFEA C=C(C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)B1OC(C)(C)C(C)(C)O1 1857785274 CAIAMWTXMQXSBN-GFCCVEGCSA-N 355.240 2.630 30 50 FFEA O=C(N1CCN2CCC[C@H]2C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 53332872 YSEDKLFURRHTDJ-ZETCQYMHSA-N 372.231 2.761 30 50 FFEA CCn1cc(CN2CCn3nc([C@H](O)c4ccccc4)cc3C2)cc1C#N 221221038 RCHPXQIRVHXNHI-OAQYLSRUSA-N 361.449 2.674 30 50 FFEA COc1ccc(NC(=O)[C@@H]2CC(=O)N/C(=N\c3ccccc3)S2)cc1 18105993 JCYDXVRGNYGRCY-HNNXBMFYSA-N 355.419 2.943 30 50 FFEA Cc1cc(C)c(C#N)c(N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)n1 1857690121 AVKWCAQJBFGDSM-NRFANRHFSA-N 362.433 2.824 30 50 FFEA Cn1cc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c(C2CC2)n1 864235613 DYTQXZPMIVUYQA-UHFFFAOYSA-N 359.279 2.996 30 50 FFEA CO[C@]1(/C(O)=N/Cc2nc3cc(Br)ccc3o2)CCOC1 329208078 YOXKGPRYABJHIZ-CQSZACIVSA-N 355.188 2.852 30 50 FFEA COc1ccc(C#N)cc1CN(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328621746 ASMXBYHZBVUXTJ-LAUBAEHRSA-N 367.497 2.815 30 50 FFEA Cc1c(CN2C[C@H](Cc3ccnc4ccccc34)[C@@H](O)C2)cc(C#N)n1C 1614974249 XJFWZOXTKSYEBP-AVRDEDQJSA-N 360.461 2.789 30 50 FFEA C=CCCOCCNC(=O)N1CCC(c2nccc(N3CCCC3)n2)CC1 952890648 FTUHFKOWUMRVDX-UHFFFAOYSA-N 373.501 2.559 30 50 FFEA N#Cc1cnn2c(O)cc(CN3CCCC[C@@H]3c3ccc(F)cn3)nc12 2325771672 DYIFXSJSWNRSHV-MRXNPFEDSA-N 352.373 2.568 30 50 FFEA CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1OC 105227938 MJKLNCOKKURFGN-QPJQUSPXSA-N 366.417 2.625 30 50 FFEA 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(O)ccc2ccccc12 252428623 QQRCACCILUTOLS-OJUQCPHYSA-N 358.397 2.932 30 50 FFEA C=CC(=O)N1CCC(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 1875370829 FODIUOFLOMLVHS-UHFFFAOYSA-N 364.367 2.598 30 50 FFEA COCCn1cc(Nc2c(C#N)cnc3c(OC)cc(OC)cc23)cn1 225538691 VIMTXJBXNRDRHT-UHFFFAOYSA-N 353.382 2.710 30 50 FFEA Cn1cnc2cc(C(=O)N3CCC(C#N)(c4ccccc4)CC3)ccc2c1=O 215610358 DIRYCPUITKZPQI-UHFFFAOYSA-N 372.428 2.631 30 50 FFEA O=C(CC1=C(c2ccccc2)CCC1=O)NCCCc1nnc2ccccn12 426403473 HAGCZMVMWBHFKO-UHFFFAOYSA-N 374.444 2.985 30 50 FFEA C=CC[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@H]2[C@@H](C(=O)OC)[C@H]3C=C[C@]21O3 239403213 RQCWAQWAWPQZFH-LAIHZFQQSA-N 359.809 2.744 30 50 FFEA COc1ccc([C@@H]2CN(Cc3ccc(C#CCO)s3)C[C@H]2N(C)C)cc1 95506702 YOSOLZFVRVWBHB-LEWJYISDSA-N 370.518 2.630 30 50 FFEA C=CCN(C)Cc1ccc(C(=O)Nc2c(C(N)=O)n[nH]c2C(C)C)cc1 1875265827 CBSZBDHCRZZKFC-UHFFFAOYSA-N 355.442 2.502 30 50 FFEA N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCCc2c1cnn2CCO 364884776 GABHLAJNMLCQLJ-LBPRGKRZSA-N 351.332 2.650 30 50 FFEA C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc1 366185523 CQEHXQAFZCQDJF-XLIONFOSSA-N 353.422 2.879 30 50 FFEA CN(C)Cc1ccccc1CN(C)C(=O)c1ccc(C#CC(C)(C)O)o1 952983096 URXFFAXCXAJBDI-UHFFFAOYSA-N 354.450 2.736 30 50 FFEA C[C@H](NC(=O)CSc1nc2c(cc1C#N)CN(C)CC2)c1ccccc1 19851703 VLOAMKXOHBTEKY-AWEZNQCLSA-N 366.490 2.911 30 50 FFEA COc1cc(/C=N/NC2=NC(=O)[C@H](Cc3ccccc3)S2)ccc1O 12843714 CSBPGIJGWXMQNB-ZVCOJXFSSA-N 355.419 2.565 30 50 FFEA Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)o1 19928004 SQWMHSBMJPOGHH-QGZVFWFLSA-N 372.396 2.867 30 50 FFEA Cc1cc(Br)c(O)c(N=C(O)[C@@H]2CCc3nncn3C2)c1 328933950 CBNUWIJFCFXWQV-SECBINFHSA-N 351.204 2.905 30 50 FFEA COCc1nc([C@H]2CN(c3ccc(Cl)c(C#N)n3)C[C@@H]2C2CC2)n[nH]1 952850322 KLNQYPHOPLSZSG-NEPJUHHUSA-N 358.833 2.501 30 50 FFEA Cc1cc(Cn2cc(C)n(-c3ccc(C#N)cc3)c2=O)nc(CC2CC2)n1 1875404363 GKRNGVNKAMNZDH-UHFFFAOYSA-N 359.433 2.918 30 50 FFEA Cc1cc(N2CC[C@H](N(C)CCc3ccccc3)C2)n2ncc(C#N)c2n1 2325792781 LTZZZDFMGUMYNG-IBGZPJMESA-N 360.465 2.663 30 50 FFEA Cc1ccc(N2CCC[C@@]3(CCCN3C(=O)c3cc(C#N)c[nH]3)C2=O)cc1 2356143752 VQLJDIKXZPEXQC-OAQYLSRUSA-N 362.433 2.997 30 50 FFEA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)C=CC(=O)[C@H]12 100012087 DCGCFQBJRLWZID-VVJJBPBLSA-N 372.031 2.588 30 50 FFEA N#Cc1cc(NC(=O)N[C@@H]2CCc3c[nH]nc3C2)ccc1OC(F)(F)F 367004425 MLSXTXKYPULVFS-GFCCVEGCSA-N 365.315 2.859 30 50 FFEA C=C(C)CN(CC)C(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12702580 XZRNDUFRNLSZRH-GOSISDBHSA-N 361.530 2.524 30 50 FFEA Cn1ccnc1CN1CCC(C2CCN(c3ncccc3C#N)CC2)CC1 1857719616 QBQCBCOGMBHTGM-UHFFFAOYSA-N 364.497 2.815 30 50 FFEA C[C@@H]1C[C@@H]2C(=O)C=C3OCO[C@]34Oc3cc5c(cc3[C@H]([C@@H]1C)[C@H]24)OCO5 257426753 GMTJIWUFFXGFHH-HRBSTLEASA-N 356.374 2.967 30 50 FFEA biogenic COc1cc(F)cc(-n2ccc(C(=O)N(C)c3cccc(C#N)n3)n2)c1 1875345233 WSYFUBLLLIMHFB-UHFFFAOYSA-N 351.341 2.563 30 50 FFEA CSc1cc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2C#N)o1 1875408598 ZXLSVVKBUYEWBA-KBPBESRZSA-N 354.435 2.680 30 50 FFEA C#CC[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)C1CC1 2325806277 AMCLPCBSLKLYJQ-KGLIPLIRSA-N 361.239 2.793 30 50 FFEA COc1ccc2nc(N/C(N)=N/C(=O)Nc3ccccc3)nc(C)c2c1 8830265 XAVPMMOTFNOEMA-UHFFFAOYSA-N 350.382 2.906 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)NCCC2=CSC3=NCCCN23)c1 101768789 QKWFBBNDBPGGDP-UHFFFAOYSA-N 369.490 2.579 30 50 FFEA N#Cc1cc2c(nc1N1CCN(C3CCCC3)[C@@H](CCO)C1)CCCC2 107013839 NFGOUZJULGFVJU-IBGZPJMESA-N 354.498 2.648 30 50 FFEA C=CCn1cc(CN2CCC(Oc3cccc(C)c3)(C(=O)O)CC2)cn1 72409174 FQEIOIOYBVYUJN-UHFFFAOYSA-N 355.438 2.876 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)c1 1800410645 YSGZMGZNBYXMDM-JOCHJYFZSA-N 363.461 2.652 30 50 FFEA COc1cc(C#N)ccc1OC[C@H]1CCCN(c2ccnc(C(=O)O)c2)C1 1875244041 JOQGRJORWIQWAK-HNNXBMFYSA-N 367.405 2.955 30 50 FFEA Cc1nn(C)c(C)c1[C@H](NC(=O)c1cc(O)cc(C#N)c1)C(F)(F)F 1875357547 LGNUYXYRFNDFNG-AWEZNQCLSA-N 352.316 2.648 30 50 FFEA Cc1ccc2c(c1)/C(=N/Nc1nnc3c(n1)[nH]c1ccccc13)C(=O)N2C 100507262 FYGRNQJWCYCPSS-KQWNVCNZSA-N 357.377 2.607 30 50 FFEA CN(C)c1ccc(N[C@@H]2CCCN(/C(O)=N/C[C@@H]3CCCO3)CC2)cn1 328647166 TULVQEMYQLCMJQ-WBVHZDCISA-N 361.490 2.507 30 50 FFEA C=CCc1cc(C(=O)N2CC[C@H](O)[C@](CC3CC3)(C(=O)O)C2)ccc1OC 1940196245 UXIVESUQIFOUKJ-GHTZIAJQSA-N 373.449 2.502 30 50 FFEA C#CC[C@H](NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)C1CC1 2325806276 AMCLPCBSLKLYJQ-KBPBESRZSA-N 361.239 2.793 30 50 FFEA C#CCCC1(CCC(=O)NC[C@H]2CNCC[C@H]2c2ccc(F)cc2)N=N1 2325900642 CXCGWNLQIJAFSQ-AEFFLSMTSA-N 356.445 2.991 30 50 FFEA Oc1cccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)c1 4674742 ZAPOLWKWHTVJKA-XSFVSMFZSA-N 352.442 2.829 30 50 FFEA CC[C@@H](Oc1ccccc1)C(=O)O/N=C(\N)c1ccc(OC)c(OC)c1 4986131 AIYZEGQKZALNEX-OAHLLOKOSA-N 358.394 2.725 30 50 FFEA CN(C(=O)c1cccc(N=C(O)c2cccnc2)c1)[C@H]1CC(C)(C)OC1=O 328592270 BKUVVDJROGUTES-INIZCTEOSA-N 367.405 2.884 30 50 FFEA Cn1ncc(/N=C/c2cccc([N+](=O)[O-])c2)c1C(=O)NCc1ccco1 2798408 HOIQHNJLQIYMQV-GIJQJNRQSA-N 353.338 2.602 30 50 FFEA Cc1nc(CN(C)C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cs1 885821603 IXNWTKIKMYJGQS-AWEZNQCLSA-N 358.442 2.947 30 50 FFEA N#Cc1cnn2c(O)cc(CN3CCCC[C@H]3c3ccc(F)cn3)nc12 2325771671 DYIFXSJSWNRSHV-INIZCTEOSA-N 352.373 2.568 30 50 FFEA N#Cc1ccc(N2CCN(C(=O)[C@@H]3OCCc4ccccc43)CC2)c(F)c1 138733234 SKSHOHWPDILGDO-HXUWFJFHSA-N 365.408 2.660 30 50 FFEA CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2c(c1)nc(C)n2CC 170008543 QXUJWTLHDJCLET-UHFFFAOYSA-N 358.247 2.841 30 50 FFEA COc1c(C)cnc(CNC(=O)c2ccc(C#CC(C)(C)O)cc2)c1C 65453897 DGUKIELERVDZRD-UHFFFAOYSA-N 352.434 2.759 30 50 FFEA COc1ccc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc1C#N 328635376 NIKZDBRUHZBNKE-LAUBAEHRSA-N 367.497 2.815 30 50 FFEA COc1ccc2c(=NC(=O)C3CCC(/N=C(/O)C4CC4)CC3)[nH][nH]c2c1 330043754 CNDMXGGUPPKFME-UHFFFAOYSA-N 356.426 2.857 30 50 FFEA COc1ccc(-n2cc(-c3cc(-c4cnn(C)c4)c(C#N)c(N)n3)cn2)cc1 71777070 RKWJSAQUKJOABO-UHFFFAOYSA-N 371.404 2.797 30 50 FFEA COc1ccc(OC)c(/C=N/N2CCN(c3ccccc3OC)CC2)c1 946034 XSNUAYHZMGOKCG-RCCKNPSSSA-N 355.438 2.869 30 50 FFEA Cn1c(=O)n(C)c2cc(/C=N/N=c3\[nH]c(-c4ccccc4)cs3)ccc21 5648799 COHDZUIITAPCPD-RGVLZGJSSA-N 363.446 2.868 30 50 FFEA CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 20028824 CLINSPURAAZLSW-GOSISDBHSA-N 358.463 2.575 30 50 FFEA N#Cc1ccsc1N1CC[C@@H](N2CCC=C(c3cccnc3)C2)C1=O 298537122 MUMBAVAEPHEPQC-QGZVFWFLSA-N 350.447 2.909 30 50 FFEA Cc1c(C#N)c2ccccc2n1CC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1940198463 XIMQBSIFYJYDPZ-YLJYHZDGSA-N 374.444 2.590 30 50 FFEA COc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1Br 4070650 HQLFHYJHYKWBFC-CQSZACIVSA-N 363.215 2.927 30 50 FFEA CC(C)(O)C#Cc1ccc(CN2CCC(Oc3ncccn3)CC2)s1 820608243 CUXBGPUKFLPQHA-UHFFFAOYSA-N 357.479 2.704 30 50 FFEA COc1cc(/C=N/N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC 19790542 QOCUDWITGDNBBA-PXLXIMEGSA-N 369.465 2.864 30 50 FFEA COc1ccnc(N2CCC[C@@H](COc3ccc(C#N)cc3OC)C2)n1 1875249819 CUNRJQGVDYELGG-OAHLLOKOSA-N 354.410 2.661 30 50 FFEA N#Cc1cc2c(=O)n(CCc3cccc(C(F)(F)F)c3)ccc2[nH]c1=O 67908602 IGAZHZMMVWTKJC-UHFFFAOYSA-N 359.307 2.823 30 50 FFEA CCn1ncc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1C 5728158 OHZNXNYJTTVXGF-KRWDZBQOSA-N 357.454 2.988 30 50 FFEA N#Cc1cccnc1N1CCC(NC(=O)Nc2ccc3c(c2)COC3)CC1 96130752 VIPIIGLVGOGEQP-UHFFFAOYSA-N 363.421 2.774 30 50 FFEA CC(C)(O)C#Cc1ccc(CN2CCOc3ccc(CO)cc3C2)s1 828827014 AJUWVSOWJGEQBS-UHFFFAOYSA-N 357.475 2.757 30 50 FFEA CN(C)Cc1cc(O[C@@H]2CCN(Cc3cccc(C#N)c3F)C2)ccn1 886096502 KGRHFMLGNRCKBG-LJQANCHMSA-N 354.429 2.807 30 50 FFEA C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCC(c3nn(C)c(=O)n3CC)CC1)C2 67955179 MJBNMJQRBPXTMK-KKSFZXQISA-N 372.513 2.690 30 50 FFEA CSCc1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)o1 223039373 BHUCVFIEFBVKMJ-SJLPKXTDSA-N 372.446 2.981 30 50 FFEA O=c1c2c3c(sc2ncn1/N=C/c1ccc2c(c1)OCO2)CCCC3 1183925 PRJBAKXYGGQOIV-DNTJNYDQSA-N 353.403 2.948 30 50 FFEA CCN(c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1)S(C)(=O)=O 13678479 JNZZZYFOMFWKKX-UHFFFAOYSA-N 357.435 2.791 30 50 FFEA C=CCOc1cccc(C(=O)N[C@@H]2CCCc3nc(N(C)C)ncc32)c1 15074493 HVXIKBMCJVPGJC-QGZVFWFLSA-N 352.438 2.915 30 50 FFEA Cc1cc(OCC(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)ccc1Cl 4598877 PNAPWELEZCTNMT-UHFFFAOYSA-N 363.757 2.799 30 50 FFEA O=C(N1CCN2CCC[C@@H]2C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 53332876 YSEDKLFURRHTDJ-SSDOTTSWSA-N 372.231 2.761 30 50 FFEA CN(Cc1noc(C2CCCCC2)n1)S(=O)(=O)c1cccc(C#N)c1 269435879 RATXOIIHNWUIEM-UHFFFAOYSA-N 360.439 2.810 30 50 FFEA CC1(C)OB(c2cnc(NC(=O)OCc3ccccc3)nc2)OC1(C)C 169936267 NZIYVGONUAHWNB-UHFFFAOYSA-N 355.203 2.525 30 50 FFEA in-vitro COc1cc(OC)c(OC)cc1/C=N\N1CCN(c2ccccc2)CC1 16901412 GGMYONQSDKQZJJ-QNGOZBTKSA-N 355.438 2.869 30 50 FFEA O=C(C[C@H]1CCOC1)N1CCOc2c(N=C(O)C[C@@H]3CCOC3)cccc21 328906766 LAEVKBMXIHXFBN-LSDHHAIUSA-N 374.437 2.853 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc(O[C@H]3CCOC3=O)cc2C)N=N1 2325899808 YDLFOVOFSYFXJC-INIZCTEOSA-N 355.394 2.984 30 50 FFEA C=C(C)CN1C(=O)[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 1065723 UICKALHPHHQEJU-HXUWFJFHSA-N 366.373 2.978 30 50 FFEA C=CCN1CC[C@]2(CCC1=O)CN(Cc1cc(F)cc(F)c1)CCN2C 107418535 ZGRCVKNXKRTCEF-HXUWFJFHSA-N 363.452 2.650 30 50 FFEA COc1ccc2c(c1)[C@@H](/N=C(/O)N1CCC(O)(C(F)F)CC1)CCO2 330284029 WXPPVUDCSFJZDK-ZDUSSCGKSA-N 356.369 2.525 30 50 FFEA CCC1(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCOCC1 330381278 VWVNMANKEJDXEF-UHFFFAOYSA-N 362.373 2.815 30 50 FFEA CN1CCN(C(=O)c2ccc(-c3ccc(F)c(C#N)c3)cc2)C[C@@H]1CCO 426441761 MEDJPHTTWDEMRM-IBGZPJMESA-N 367.424 2.503 30 50 FFEA CC(C)(C#N)c1ccc([C@H](C(=O)O)N2CCN(c3ccccn3)CC2)cc1 95352717 ZXCAKONSZDDHSL-LJQANCHMSA-N 364.449 2.831 30 50 FFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1 19315201 GXKZABJXYDCBHU-GOSISDBHSA-N 357.406 2.845 30 50 FFEA C=CCN1CCC[C@H]1C(=O)N1CCC2(CC1)OCCc1cc(OC)ccc12 2356146402 DRYLGTAEZWUIMJ-FQEVSTJZSA-N 370.493 2.736 30 50 FFEA CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccco1 20057793 XTSFDYOYFRWVTG-MRXNPFEDSA-N 358.394 2.793 30 50 FFEA CCOc1ccccc1N1CCN(C/C(O)=N/c2nnc(C)s2)CC1 20190187 NVBVNOJPVDRULS-UHFFFAOYSA-N 361.471 2.655 30 50 FFEA Cc1ccc(-c2nnc(S)n2N=Cc2ccccc2OCC(=O)O)cc1 245266603 KGVZMTOTLCTJRL-UHFFFAOYSA-N 368.418 2.888 30 50 FFEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1ccc(C)c(F)c1)C2 19839220 AQEVKZRSPVKHER-INIZCTEOSA-N 370.472 2.866 30 50 FFEA C=CCN1C[C@H]2CN(C(=O)c3cc4ccccc4s3)C[C@@]2(C(=O)O)C1 248138702 AXLIKFSQCMVGAA-LIRRHRJNSA-N 356.447 2.546 30 50 FFEA C#CCCC1(CCC(=O)NCC2(N3CCC(OC)CC3)CCCC2)N=N1 2325886303 HGOUYIZIAINBLG-UHFFFAOYSA-N 360.502 2.882 30 50 FFEA CN(C/C(O)=N/Cc1ccccc1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328634058 MLTHMDJWDAJYLX-GHTZIAJQSA-N 369.513 2.892 30 50 FFEA CNC(=O)c1ccc([C@@H]2CCCCN2C/C(O)=N/Cc2ccco2)n1C 328628004 GTJPYXKYNUYRBV-INIZCTEOSA-N 358.442 2.661 30 50 FFEA CN(C)c1ccc(N[C@H]2CCCN(C(=O)c3ccc(C#N)cn3)CC2)cn1 328630516 JKQDXPHFMNDWMQ-INIZCTEOSA-N 364.453 2.521 30 50 FFEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCCN1C(=O)c1cccs1 281535516 SAHOPRQFNYXPEZ-UXLLHSPISA-N 362.495 2.840 30 50 FFEA C=CCC1(OCc2ccccc2)CCN(C(=O)CN2CCCC2=O)CC1 95529747 LWPWNNMINRDWTB-UHFFFAOYSA-N 356.466 2.763 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(CC(=O)N[C@H](C)c1ccccc1)CC2 91585733 KUCVKEBIAYJNOI-GOSISDBHSA-N 369.509 2.754 30 50 FFEA C=CCN(C)Cc1ccc(OC[C@@H](O)CN2CCCCCC2)c(OC)c1 95506520 HMRKERYWQXIOMA-IBGZPJMESA-N 362.514 2.929 30 50 FFEA CC[C@@]1(O)CCC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3Cl)C[C@@H]21 1704303874 CTEZXKYRLCJTFI-JKIFEVAISA-N 368.886 2.773 30 50 FFEA Cc1n[nH]cc1C/N=C(/O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328655632 YOQDEWRIIGURRN-GJZGRUSLSA-N 365.478 2.738 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(C(=O)C[C@H](C)n1ccnc1C)CC2 91440877 JMGBVZXSQXLNRH-INIZCTEOSA-N 358.486 2.560 30 50 FFEA C=CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H](C#N)CCC23CCOCC3)c1 1875367830 QLCORILICYYFLR-MAUKXSAKSA-N 353.422 2.640 30 50 FFEA C=CCOc1ccc(/C=c2/sc3nc(-c4cccs4)nn3c2=O)cc1 1829305 MQSBLVWSIXNAGJ-RVDMUPIBSA-N 367.455 2.992 30 50 FFEA COc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC 4488868 VIGJXLBGOHSOIK-GFCCVEGCSA-N 359.422 2.959 30 50 FFEA CCCOc1ccccc1CCCn1ccc2[nH]c(=O)c(C#N)cc2c1=O 67604178 GFFZBCHNVYVRFF-UHFFFAOYSA-N 363.417 2.983 30 50 FFEA Cc1ccc2c(c1)c(CNC(=O)c1cccc(C#CC(C)(C)O)c1)nn2C 65372434 JJRWYSNJRQGUFV-UHFFFAOYSA-N 361.445 2.934 30 50 FFEA COC(=O)C[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1cccc(O)c1 217665226 OFGPIMVMKXKDKK-HNNXBMFYSA-N 352.342 2.930 30 50 FFEA biogenic C=CCN1CC2(CCC1=O)CCN(C(=O)C[C@@H](C)n1ccnc1C)CC2 91440879 JMGBVZXSQXLNRH-MRXNPFEDSA-N 358.486 2.560 30 50 FFEA CCc1cc(N2CCN(Cc3ccc(C#CC(C)(C)O)s3)CC2)ncn1 823557301 LECGNKWOEJKAHO-UHFFFAOYSA-N 370.522 2.545 30 50 FFEA N#Cc1cccc(NS(=O)(=O)c2ccc(N3CCCCC3=O)cc2)c1 11906609 LTSDFWASXVQOFG-UHFFFAOYSA-N 355.419 2.876 30 50 FFEA CC1(C)O[S@](=O)O[C@H]1COc1c2ccoc2cc2oc(=O)ccc12 2049252061 ILWHZPBGKDWLME-RKNYENMMSA-N 350.348 2.691 30 50 FFEA C#CCCC1(CCC(=O)N(C)C[C@H]2OCCN(C)[C@H]2c2ccccc2)N=N1 2325887202 XZAVPWTZCNIFGU-QUCCMNQESA-N 368.481 2.872 30 50 FFEA COC1(c2nc(CC(F)(F)F)no2)CCN(c2cccc(C#N)n2)CC1 284525668 RLYWDZYZKAOYHW-UHFFFAOYSA-N 367.331 2.583 30 50 FFEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)Cc2ccccc2F)cc1 220046195 COEBXPHIDWIKRY-RTBURBONSA-N 354.381 2.593 30 50 FFEA CC(C)COCCCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 170616945 MJPSBWFCYWFMLS-AWEZNQCLSA-N 367.471 2.557 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(OC)c1 5013462 SWKRGKYQVXYIJS-SFHVURJKSA-N 367.401 2.920 30 50 FFEA Cc1cccc2c1NC(=O)/C2=N/Nc1nnc2c(n1)[nH]c1c(C)cccc12 4646442 ZTTDCZODHPDOBL-UHFFFAOYSA-N 357.377 2.891 30 50 FFEA C#CCCC1(CCC(=O)N2CC[C@@H](n3c(=O)oc4ccccc43)C2)N=N1 2325887196 XONQIANUDVOQGD-CQSZACIVSA-N 352.394 2.724 30 50 FFEA C=CCc1cc([C@H]2CC(=O)NCc3nc4sccn4c32)cc(OC)c1O 65469630 DGDWDJKFMIZKSG-CYBMUJFWSA-N 369.446 2.990 30 50 FFEA Cc1cc(C)c(C#N)c(N2CCN(Cc3c(C)nc4sccn34)CC2)n1 65410794 DBPGMNGCYYAJEJ-UHFFFAOYSA-N 366.494 2.910 30 50 FFEA CCN1CCc2nc(N=C(O)[C@@H]3CCO[C@H]3c3ccnn3C)sc2C1 328646037 ZYIZQSHPPNIBDP-IAQYHMDHSA-N 361.471 2.620 30 50 FFEA C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C 332091955 AKXBKMLKYCNLQI-OWCLPIDISA-N 370.501 2.783 30 50 FFEA CCOC(=O)[C@H](C)Sc1nc(O)c(C#N)c(-c2ccc(OC)cc2)n1 18247556 PINDRGDWTAEMKF-JTQLQIEISA-N 359.407 2.773 30 50 FFEA CC(C)=CCN1CCN(Cc2ccc(C#CC(C)(C)O)cc2)C[C@@H]1CCO 19744208 USUCEBPIGBWLCO-QFIPXVFZSA-N 370.537 2.644 30 50 FFEA C#CCCC1(CCC(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)N=N1 952880810 LZKWKWLMSHXHJQ-UHFFFAOYSA-N 356.426 2.537 30 50 FFEA CCn1cc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(F)c(C#N)c2)cn1 886079088 HJYNQHSOBWNJPC-KBXCAEBGSA-N 356.401 2.811 30 50 FFEA Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 2325762801 MEJIHEAUSQXWLF-AWEZNQCLSA-N 363.417 2.926 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1cccnc1SC)CC2 91693801 YCADBXYHIBCNQP-UHFFFAOYSA-N 359.495 2.834 30 50 FFEA CCN1CCC[C@H]1CNC(=O)CCC1CCN(c2ncccc2C#N)CC1 95497704 UMERTMGQIPWFSB-IBGZPJMESA-N 369.513 2.550 30 50 FFEA C=C(C)COc1ccccc1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 244723848 MIQDOSNKBSEYRK-IDHHARJASA-N 355.438 2.617 30 50 FFEA Cc1cc(N[C@H]2CCOC[C@@H]2Oc2ccc(CO)cc2)nc(C)c1C#N 1565529653 AGYRRBZSRGKTKG-OALUTQOASA-N 353.422 2.711 30 50 FFEA C=CCn1c(SCC(=O)Nc2nncs2)nnc1-c1ccoc1C 6731418 LQHMBQJZXWBLDG-UHFFFAOYSA-N 362.440 2.615 30 50 FFEA COc1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)cc2c1OCO2 67885794 XEMDXADMSRORRV-SMDDNHRTSA-N 364.405 2.631 30 50 FFEA COC(=O)CCn1cc(-c2cc(-c3cccc(F)c3)nc(N)c2C#N)cn1 67472849 RNZCDGLYXVAJAA-UHFFFAOYSA-N 365.368 2.768 30 50 FFEA Cc1ccc(F)c(OC2(C(=O)O)CCN(c3cccc(C#N)n3)CC2)c1 72435558 CXGMLTBKFYVDPC-UHFFFAOYSA-N 355.369 2.903 30 50 FFEA COc1ccc(S(=O)(=O)N/N=C\c2c[nH]nc2-c2ccc(F)cc2)cc1 32575536 UBQMNTQXYQZRHF-JAIQZWGSSA-N 374.397 2.537 30 50 FFEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1cc(F)cc(F)c1)C2 14746444 ATGCSFABKDZHOK-MRXNPFEDSA-N 374.435 2.696 30 50 FFEA C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Br)cc1 4919272 CWNDCZVIGGDMHY-CYBMUJFWSA-N 367.268 2.971 30 50 FFEA C=CC[C@@H](NC(=O)c1cc(OC)c(Br)s1)C(=O)OCC 170594722 CHRWGDHHYCBPRQ-MRVPVSSYSA-N 362.245 2.757 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(O)cc1 17824879 PCYCQCWBPMSDPM-GOSISDBHSA-N 367.401 2.925 30 50 FFEA Cn1ccnc1N1CCC(/N=C(/O)c2ncccc2Br)CC1 328741912 JGNWTKFZAAPLJG-UHFFFAOYSA-N 364.247 2.551 30 50 FFEA C[C@H](NC(=O)N1C[C@H]2[C@H](CN)[C@H]2C1)c1nc(-c2ccc(C#N)cc2)cs1 1875274052 CTSDUOMHXWWFBD-VCOSZWKGSA-N 367.478 2.589 30 50 FFEA CN(C)Cc1cc(O[C@H]2CCN(CCOc3ccc(C#N)cc3)C2)ccn1 886068800 UROLWCGEEMBZBF-NRFANRHFSA-N 366.465 2.547 30 50 FFEA CCNc1ncc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)c2C#N)cn1 67675401 HXCOBASZHHYYMP-UHFFFAOYSA-N 360.377 2.820 30 50 FFEA N#Cc1ccsc1NC(=O)CN1CCC[C@H]1c1nc2c([nH]1)CCCC2 276155056 ZTIMTFRDSAHMRA-HNNXBMFYSA-N 355.467 2.997 30 50 FFEA OCC#Cc1ccc(CN2C[C@H](Cc3ccnc4ccccc34)[C@@H](O)C2)cc1 1616072488 WUPLHIRZOSAOLD-URXFXBBRSA-N 372.468 2.614 30 50 FFEA CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCC#N)c(OC)c2)NC(=O)N1 5064692 IGOGAHOMMVPDPW-QGZVFWFLSA-N 373.409 2.569 30 50 FFEA COc1cc2c(cc1O)NC(=O)C[C@H]2c1ccc(C#CC(C)(C)O)cc1 65407143 DNONVEHHLSIKIR-HNNXBMFYSA-N 351.402 2.997 30 50 FFEA C=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)NC3CCC3)nc2c1=O 72428670 GCTJYELMPAGNHH-UHFFFAOYSA-N 366.396 2.770 30 50 FFEA CCNC(=O)[C@H]1CCN(C(=O)c2cccc(-c3cc(C#N)ccc3O)c2)C1 534670389 BENVNPWAVOCJML-KRWDZBQOSA-N 363.417 2.529 30 50 FFEA COc1cccc(/C(C)=C/C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c1 170656435 JDGQFXYBICXYDN-GXDHUFHOSA-N 370.430 2.616 30 50 FFEA C#CCCC1(CCNC(=O)[C@H]2CCCN(C(=O)c3oc(C)cc3C)C2)N=N1 1875387324 BUWKPQMGKUSUMW-INIZCTEOSA-N 370.453 2.830 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H]2CCCN(c3ccc(F)cc3F)C2=O)N=N1 2325886602 BRLMXBVYGRQAKT-OAHLLOKOSA-N 374.391 2.932 30 50 FFEA Cc1cc(C#N)ccc1S(=O)(=O)NCc1nccn1-c1ccccc1 253427842 DMZZBGWGVOEEIT-UHFFFAOYSA-N 352.419 2.531 30 50 FFEA CN(C)c1nccc(N2C[C@@H](F)C[C@H]2C/N=C(/O)Nc2ccsc2)n1 328635306 NGOQWXOQQKXGET-AAEUAGOBSA-N 364.450 2.547 30 50 FFEA C[C@@H]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1n1ccnc1 129336511 NHLPPVCPTJANAW-BMFZPTHFSA-N 355.467 2.505 30 50 FFEA C=CCn1ncc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccncc2)C3)c1C 1565525984 IDJVLSOBHHPNEW-PXNSSMCTSA-N 365.481 2.509 30 50 FFEA C=C(C)CN(C)Cc1ccc(OC[C@H](O)CN(C)C(C)C)c(OC)c1 11840640 WHGRGPPPHFGQCH-GOSISDBHSA-N 350.503 2.783 30 50 FFEA O=C(C[C@H]1S/C(=N/N=C/c2ccc(F)cc2)NC1=O)Nc1ccccc1 16115537 GJQRRZPTVLCSAX-PZUDMAOCSA-N 370.409 2.776 30 50 FFEA Cc1cc(Br)c(O)c(N=C(O)[C@H]2CCc3nncn3C2)c1 328933951 CBNUWIJFCFXWQV-VIFPVBQESA-N 351.204 2.905 30 50 FFEA Cc1cccc2nc([C@H](C#N)C(=O)c3ccc4c(c3)n(C)c(=O)n4C)[nH]c12 1875345291 UWJCVZGZESKVPJ-CYBMUJFWSA-N 359.389 2.552 30 50 FFEA N#Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cs1 6680604 QQMNEGOADZECGP-UHFFFAOYSA-N 361.448 2.657 30 50 FFEA C=CCn1nc(C)c(-c2c(-c3ccccc3)ncn2CCc2nnn[nH]2)c1C 67886603 VAPPFQUFULMQKO-UHFFFAOYSA-N 374.452 2.972 30 50 FFEA CCOc1ccc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)cc1CO 71753338 FGFGIVSSUVOMIC-UHFFFAOYSA-N 363.421 2.802 30 50 FFEA N#Cc1ccccc1N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1=O 82138370 ZYDCRLJWBUWONV-UHFFFAOYSA-N 371.343 2.649 30 50 FFEA CCc1cc(C#N)ccc1NC(=O)N1CCCN(C(=O)C2CCC2)CC1 95507477 CEMCUUBCQNIHFT-UHFFFAOYSA-N 354.454 2.987 30 50 FFEA C=CCN(Cc1ccccc1OCC)C(=O)c1cnc(SC)[nH]c1=O 55327624 KDTGFKBEXPLPDI-UHFFFAOYSA-N 359.451 2.719 30 50 FFEA C#CCN1CCCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 229488969 PCYVENZFBHTEBA-ZWKOTPCHSA-N 364.848 2.867 30 50 FFEA CC(=O)N1C(C)(C)CC(=NOS(=O)(=O)c2ccccc2)CC1(C)C 5518144 FPNIERWROMRNDA-UHFFFAOYSA-N 352.456 2.947 30 50 FFEA CCc1cnccc1C/N=C(/O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 329961617 OTOYUBQFEXSZSZ-QZTJIDSGSA-N 357.454 2.542 30 50 FFEA CCn1c(N)nc2cc(C(=O)N3CCC(C#N)(c4ccccc4)CC3)cnc21 77471794 DHLGRRPXDKKWFQ-UHFFFAOYSA-N 374.448 2.731 30 50 FFEA CC(C)(CC#N)CS(=O)(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 296526686 CPEGRPFSWPVEEJ-HNNXBMFYSA-N 356.875 2.983 30 50 FFEA Cc1ccc(Oc2ccc(N=C(O)N3CCN4CCOC[C@@H]4C3)cn2)cc1 329686072 UWVDXRSOELZDDB-KRWDZBQOSA-N 368.437 2.744 30 50 FFEA N#Cc1ccc(N2CCN(c3cccc(-n4cccc4)c3C#N)CC2)cn1 2325868268 UYEVJOXMAQKPBV-UHFFFAOYSA-N 354.417 2.942 30 50 FFEA CCOC(=O)c1sc(NC(=O)c2ccn(C(F)F)n2)c(C#N)c1C 2792707 JDZQXWJKBLQASQ-UHFFFAOYSA-N 354.338 2.949 30 50 FFEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2nnc(C(C)(C)C)s2)C1 328610697 IWXGZLRRYNDDGP-OAHLLOKOSA-N 350.448 2.609 30 50 FFEA CC(C)[C@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)c1nccn1C 534675309 QKGKNYCTCIJARX-SFHVURJKSA-N 366.469 2.521 30 50 FFEA Cc1ccc(N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)nc1C#N 302634050 JVVQYLBZXNZGPF-UHFFFAOYSA-N 366.856 2.885 30 50 FFEA C=CCNC(=O)c1cn([C@H](C)CC)cc(C(=O)N(CCC)CC2CC2)c1=O 11909712 KKDMPKPFBLKWRI-OAHLLOKOSA-N 373.497 2.997 30 50 FFEA Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)O)[C@H]2c2ccccc2)cc1 13202585 MOXJPPPSICWVIS-KRWDZBQOSA-N 351.358 2.658 30 50 FFEA CC(C)Nc1ncccc1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 371360045 NDBAFLDNPQDQAB-GOSISDBHSA-N 350.422 2.987 30 50 FFEA C=CCC(O)(CC=C)[C@@H](C)NC(=O)c1cn(CCCc2ccccc2)nn1 11715400 QNSCQDNOVGRCMQ-QGZVFWFLSA-N 368.481 2.913 30 50 FFEA O=C(CC[C@H]1CCCN(Cc2ccc(C#CCCO)cc2)C1)NC1CC1 12304070 RSRNWPYOMJIYOG-LJQANCHMSA-N 354.494 2.691 30 50 FFEA O=S(=O)(/N=C(\O)OC[C@@H]1CCCN2CCCC[C@@H]12)Oc1ccccc1 19848927 VHCVKDWHJIEYJP-HOCLYGCPSA-N 368.455 2.505 30 50 FFEA C(=N/Nc1ccc2nnc(-c3ccccc3)n2n1)\c1ccc2c(c1)OCO2 4698070 BUGFHVGUGROLMI-RGVLZGJSSA-N 358.361 2.966 30 50 FFEA C#CCOc1ccccc1CNc1cccc(N2CCCS2(=O)=O)c1 122923249 FYUABYUHYSOHLZ-UHFFFAOYSA-N 356.447 2.851 30 50 FFEA Cc1ccc(C(=O)ON=C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 1392838 OULDDLRBGNRHSH-UHFFFAOYSA-N 372.446 2.993 30 50 FFEA CCn1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(C)n1 5728187 HKRJVOFQSXAULX-KRWDZBQOSA-N 357.454 2.988 30 50 FFEA N#Cc1ccccc1N1C[C@@H](Cc2ccccc2)N(C(=O)C2CC2)CC1=O 82148382 YQMXRFOEKSHNFP-LJQANCHMSA-N 359.429 2.755 30 50 FFEA COc1cc(C(C)=Nn2c(C)cc(C)c(C#N)c2=O)cc(OC)c1OC 254771637 MVBWVYGEHLRTSB-UHFFFAOYSA-N 355.394 2.635 30 50 FFEA Cc1cccc(S(=O)(=O)N2CC[C@H](Oc3cccc(F)c3)C2)c1C#N 183238572 BTKBKPIBTYBNKB-INIZCTEOSA-N 360.410 2.848 30 50 FFEA N/C(=N\OC(=O)COc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 5102010 FVLGCUAMVKMQSN-UHFFFAOYSA-N 365.345 2.991 30 50 FFEA CCc1nc(C)c(/C(O)=N/[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)s1 329088511 VOCFHJYDXRDYAF-MLGOLLRUSA-N 373.482 2.557 30 50 FFEA C#CCCC1(CCC(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)N=N1 2325892332 JLTMFXXQYDWMSF-KRWDZBQOSA-N 368.437 2.578 30 50 FFEA C=C(C)Cn1c(SCc2cccc(C)c2)nc2c1c(=O)n(C)c(=O)n2C 624077 PENHFUCOMFFTKH-UHFFFAOYSA-N 370.478 2.611 30 50 FFEA OCC[C@H]1CN(CC#Cc2ccccc2)CCN1Cc1ccc(F)cc1 20205992 VWUCBXXXIYMUNT-QFIPXVFZSA-N 352.453 2.746 30 50 FFEA C=CCN1CC[C@H](CNC(=O)CCSc2ccc3c(c2)OCCO3)C1 65370099 JCXDMDVQMREJCR-OAHLLOKOSA-N 362.495 2.564 30 50 FFEA Cc1noc([C@H](NCc2ccc(O[C@@H](C)C#N)cc2)C2CCOCC2)n1 328619484 FVWWDSVMOFYINJ-SCLBCKFNSA-N 356.426 2.926 30 50 FFEA COCCCN1CC2(CCC1=O)CCN(c1cc(C)c(C#N)c(C)n1)CC2 91444576 OWDNPUFXENUCSU-UHFFFAOYSA-N 370.497 2.816 30 50 FFEA CN1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)c2ccccc2C1 170598813 JPDYPMKIZIPOFK-UHFFFAOYSA-N 361.854 2.852 30 50 FFEA N#Cc1ccc(F)c(CN2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 140691107 QOWDCUIXNPNDPH-UHFFFAOYSA-N 373.453 2.640 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H](c2ccccc2)C2(CO)CCOCC2)N=N1 2325892128 AJQLDBHDRDXTLL-IBGZPJMESA-N 369.465 2.989 30 50 FFEA Cn1nc(C2CC2)c2c1NC(=O)C[C@@H]2c1ccc(C#CC(C)(C)O)s1 65404750 HLPCAMAFYJSKLL-CYBMUJFWSA-N 355.463 2.956 30 50 FFEA C=CCC[C@H](CN(C)Cc1cnccn1)Oc1ccnc(OC)c1C#N 72408439 BJSSPFYWEJBPOA-MRXNPFEDSA-N 353.426 2.597 30 50 FFEA N#CC1(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccc(F)cc2)C3)CCOCC1 247649159 LVEJDHZSJVPSKC-MJGOQNOKSA-N 371.456 2.569 30 50 FFEA O=C1/C(=N\Nc2ccc([N+](=O)[O-])cc2)Oc2c1c(=O)oc1ccccc21 2325809694 YZPWDJSVDUOKNZ-KNTRCKAVSA-N 351.274 2.702 30 50 FFEA COC(=O)c1c(C(=O)OC)c2cc(C#N)ccn2c1C(=O)c1ccccc1 638891 IHFOVEBVIXDXLW-UHFFFAOYSA-N 362.341 2.615 30 50 FFEA C=CCn1c(=O)c(C(=O)NCc2ccc(F)cc2)c(O)c2ccccc21 100517110 MTSGFLSDNFXJCL-UHFFFAOYSA-N 352.365 2.962 30 50 FFEA N#Cc1ccc(N2CCN(C[C@@]3(c4cccc(F)c4)CCOC3)CC2)nc1 20820934 KKKTWGNNOVCTIR-NRFANRHFSA-N 366.440 2.573 30 50 FFEA O=C(/C=C\c1ccc(/C=C/C(=O)c2cccc[n+]2[O-])cc1)c1cccc[n+]1[O-] 25692833 VKLARNVFGTZVNZ-HEEUSZRZSA-N 372.380 2.746 30 50 FFEA C=CCn1nc(C)c(CN2CCc3[nH]cnc3[C@@H]2c2cc(C)no2)c1C 72409206 GZICHJYFIQGBEH-IBGZPJMESA-N 352.442 2.853 30 50 FFEA C=CCOc1ccccc1CN[C@@H]1C[C@@H](C(=O)NC(C)C)N(C(C)C)C1 23363075 PUCDVOFAUUANGL-MOPGFXCFSA-N 359.514 2.717 30 50 FFEA C/C=N/N=C1/NC(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S1 5101548 UZEAYCHQIQAAID-UDDIIRNGSA-N 358.345 2.627 30 50 FFEA CC(C)(C)n1cc(C#N)c(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)n1 266837072 FLWXTTUZXTYLDG-CYBMUJFWSA-N 355.373 2.713 30 50 FFEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 17163281 HHTZHWDAZBEMLB-SFHVURJKSA-N 368.408 2.966 30 50 FFEA CC(C)c1ccc(OCC(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)cc1 4819842 LKZYNLGWZXNONY-UHFFFAOYSA-N 357.366 2.961 30 50 FFEA C=CC[C@@]1(C(=O)NC2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C 225621747 JVULHJMQBZNNCH-IBGZPJMESA-N 351.491 2.543 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)o1 65397510 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30 50 FFEA CS(=O)(=O)c1ccc(Cl)c(/C(O)=N/C2CCC(C(=O)O)CC2)c1 328591334 FXKFQCHZVCQDKD-UHFFFAOYSA-N 359.831 2.692 30 50 FFEA C=CCNC(=O)c1cn([C@H](C)CC)cc(C(=O)NCc2ccsc2)c1=O 12333726 CIWNGAOCHALPFY-CYBMUJFWSA-N 373.478 2.727 30 50 FFEA C=CCNC(=O)c1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 4858090 VMURBUNCOIBGKI-UHFFFAOYSA-N 370.405 2.881 30 50 FFEA Cc1cc(C(=O)N2CC(=O)N(c3ccccc3C#N)C[C@@H]2C)ccc1F 82126750 VOIIMGNUDGWHQA-AWEZNQCLSA-N 351.381 2.883 30 50 FFEA CCNC(=S)N/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)cc1 2391614 HOCDQQBOJLVTJQ-UDWIEESQSA-N 357.435 2.732 30 50 FFEA CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)/N=C1/NCCS1 1476080 BZFSDAVTASDSDP-OAHLLOKOSA-N 361.511 2.958 30 50 FFEA Cc1cccc(S(=O)(=O)Nc2nc(C)n(-c3ccccc3)n2)c1C#N 1875318716 UBBSERBOWQRBSW-UHFFFAOYSA-N 353.407 2.557 30 50 FFEA C#CCCC1(CCNC(=O)Cc2csc(Cc3ccccn3)n2)N=N1 2325890942 FXYTVWNKOQOUHP-UHFFFAOYSA-N 353.451 2.753 30 50 FFEA C#CCCC1(CCNC(=O)C2(N[C@@H](C)CC)Cc3ccccc3C2)N=N1 2325891461 IAGCWRKFVGBJIJ-INIZCTEOSA-N 352.482 2.994 30 50 FFEA N#CCCn1cc(C(=O)N2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 3372288 BIMBCYAWZKNQMH-UHFFFAOYSA-N 353.382 2.998 30 50 FFEA CCc1ccc(/C=N\NS(=O)(=O)c2cc(OC)ccc2OC)s1 17073330 XRALTXUGCJHFDX-YBEGLDIGSA-N 354.453 2.640 30 50 FFEA C=CCC(C(=O)OC)(C(=O)OC)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] 8781867 WVQMCEURAPIKOD-UHFFFAOYSA-N 361.272 2.774 30 50 FFEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCCCOCC)C2 14534843 QCFHMEMRXLYZBX-KRWDZBQOSA-N 374.529 2.569 30 50 FFEA C#CCCC1(CCC(=O)N2CCN(c3c(F)cccc3OC)CC2)N=N1 952882353 UQZLXZFVAHDQRV-UHFFFAOYSA-N 358.417 2.839 30 50 FFEA C#CCCC1(CCNC(=O)[C@@H](C(C)C)n2nnc(-c3ccccc3)n2)N=N1 2325891076 PIUFYSRVGSTFSE-MRXNPFEDSA-N 365.441 2.619 30 50 FFEA C=CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccn1 6730953 PQAWVYHQZQPENF-UHFFFAOYSA-N 365.462 2.935 30 50 FFEA CN1C[C@@H](C(=O)Nc2cc(C#N)cn2C(C)(C)C)c2ccccc2C1=O 376110211 DXOUCRXZIDALCE-MRXNPFEDSA-N 350.422 2.923 30 50 FFEA CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)c(C#N)c2)C12CCC2 153722490 YHTDBINCCWUNMK-CVEARBPZSA-N 352.431 2.666 30 50 FFEA C#CCCC1(CCC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)N=N1 952879744 HCDCUCLMGBIQII-INIZCTEOSA-N 358.829 2.695 30 50 FFEA COc1ccc(C(=O)Nc2cc(C)cc(B3OC(C)(C)C(C)(C)O3)c2)cn1 1565504924 NEBIWLYWBUAMEG-UHFFFAOYSA-N 368.242 2.950 30 50 FFEA O=C(/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 109481866 YFDFROSCOORKAJ-OVCLIPMQSA-N 359.254 2.692 30 50 FFEA C=CCn1c(-c2cccc(Cl)c2)cn2cc(C(=O)NCCF)nc2c1=O 72479780 KCXVBSTZZXMRCE-UHFFFAOYSA-N 374.803 2.702 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3)C2)o1 12835305 WTQHXQSHIDGXEU-JOCHJYFZSA-N 370.493 2.740 30 50 FFEA COc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2ccc(F)cc2)S1 18209086 KRALAFVFXGMXQM-YODDIOPGSA-N 357.410 2.999 30 50 FFEA C[C@@H](Oc1cccc(Cl)c1)C(=O)O/N=C(\N)c1cccc([N+](=O)[O-])c1 4985727 YPDGNGJROLDPNO-SNVBAGLBSA-N 363.757 2.879 30 50 FFEA CCc1nnc(NC(=O)C(=O)N(CC#Cc2ccccc2)[C@H](C)CC)s1 65372120 AADVFIOYJORCIV-CQSZACIVSA-N 370.478 2.718 30 50 FFEA N#Cc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3cccc4ccccc34)C2)cn1 72159264 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N#Cc1ccc(C(=O)N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)cn1 92003821 JYVLWCVWMPBCTD-OAQYLSRUSA-N 366.465 2.741 30 50 FFEA Cc1ccc(Oc2ccc(N=C(O)N3CCN4CCOC[C@H]4C3)cn2)cc1 329686074 UWVDXRSOELZDDB-QGZVFWFLSA-N 368.437 2.744 30 50 FFEA C#C[C@@H](Cc1ccc(F)cc1F)N(C)C(=O)c1nc(Br)c[nH]1 2325869158 ASUCXUMUNMKCNG-NSHDSACASA-N 368.181 2.767 30 50 FFEA C#CCCC1(CCNC(=O)CCCOc2ccc3c(c2)NC(=O)CC3)N=N1 2325891170 VFTUVQMCHNQJRL-UHFFFAOYSA-N 368.437 2.812 30 50 FFEA C#CCCC1(CCC(=O)N2CC[C@@H](c3ccccc3)[C@H]2C(=O)OC)N=N1 2325892909 PONCFEYJYKMVLW-WMZOPIPTSA-N 353.422 2.900 30 50 FFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(OC)ccc1OC 626367 DSWNUCDMQUKWCU-SFHVURJKSA-N 357.406 2.845 30 50 FFEA COCc1cc(C)nc(SCC(=O)Nc2ccc3c(c2)OCO3)c1C#N 807459 RWXCJSFTNPIDMU-UHFFFAOYSA-N 371.418 2.868 30 50 FFEA CC1=CC(=O)C=C(C)C1=NOS(=O)(=O)c1ccc(Br)cc1 1802653 OBYJXZNQNUYSIQ-UHFFFAOYSA-N 370.224 2.986 30 50 FFEA C=C(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C(=O)OC)C1 252487937 IFDIQGFBERYCJP-AWEZNQCLSA-N 374.416 2.572 30 50 FFEA Cc1cc([N+](=O)[O-])c(C#N)cc1NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 408517013 NXODMYZNVVGONN-LJQANCHMSA-N 365.345 2.885 30 50 FFEA CCc1nc(SCC(=O)Nc2ccc(F)c(Cl)c2)[nH]c(=O)c1C#N 5238952 IEPZVOXQWLGJGS-UHFFFAOYSA-N 366.805 2.727 30 50 FFEA OC[C@@H](CN1CCCCC1)/N=C(/O)c1cc(Br)ccc1F 330601691 GRBUNYWACKEJFH-GFCCVEGCSA-N 359.239 2.740 30 50 FFEA C=CCNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C)cc1 2902878 WZBBHBPOEGWWHM-QGOAFFKASA-N 365.389 2.976 30 50 FFEA N#Cc1cncc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 290034897 CDUMCGFXENFETQ-QRVBRYPASA-N 353.447 2.910 30 50 FFEA CCOC(=O)CN1[C@H](C)C[C@](O)(C#Cc2ccccc2)[C@@H]2CCCC[C@H]21 1848444016 COUQXMNGIJLRAS-JWUVWSEFSA-N 355.478 2.985 30 50 FFEA O=C1C[C@H](NCc2ccc(C#CCCO)cc2)CN1C1CCCCCC1 12703387 CZDJNHGWJNPEPS-FQEVSTJZSA-N 354.494 2.834 30 50 FFEA Cc1cc(C)c(C#N)c(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)n1 247867362 JRJSMSAHHQTDHM-ZBFHGGJFSA-N 367.478 2.654 30 50 FFEA C/N=C(/S)N/N=C/c1cc(Br)cc(Br)c1O 8694089 KLONKKLSBDSLRJ-YIXHJXPBSA-N 367.066 2.756 30 50 FFEA COC[C@@](C)(C#N)NC(=O)c1cc(I)cc(C)c1C 156192924 LAPPRQYNWWCAEN-CQSZACIVSA-N 372.206 2.567 30 50 FFEA C=CCc1cc(C(=O)N(CCN(C)C)Cc2cnc(C)[nH]2)ccc1OC 1704325636 RAHNMABGJMVLFN-UHFFFAOYSA-N 356.470 2.659 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(F)cc1 5045106 MKWNTEQYMDHNIN-INIZCTEOSA-N 359.353 2.952 30 50 FFEA Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)o1 19884208 CXYZDUZUGKGHDF-HNNXBMFYSA-N 360.435 2.789 30 50 FFEA C=CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc([N+](=O)[O-])cc1 2836845 JTODYCVNZXRBDD-UHFFFAOYSA-N 373.438 2.754 30 50 FFEA COc1ccc(C(=O)/C=C2/Nc3ccc([N+](=O)[O-])cc3OC2=O)cc1OC 100301584 KHBWFDOPMWKQBA-UKTHLTGXSA-N 370.317 2.710 30 50 FFEA COc1ccccc1OC1CN(C(=O)c2cccc(C#CC(C)(C)O)c2)C1 65503437 ISIPTDVJRBKTDE-UHFFFAOYSA-N 365.429 2.721 30 50 FFEA Cn1ncc(NC(=O)Cn2ccc3cc(-c4cccc(C#N)c4)ccc32)n1 48170802 YPFVJSFXFZHVBI-UHFFFAOYSA-N 356.389 2.947 30 50 FFEA C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO 257359396 ZYTXTXAMMDTYDQ-HWQRTRDKSA-N 356.462 2.753 30 50 FFEA CSCCN1CCN(C(=O)c2cccc(-c3ccc(C#N)nc3)c2)CC1 534591428 WIVRIXZNUDAXRH-UHFFFAOYSA-N 366.490 2.741 30 50 FFEA C=C(C)CN(C)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 15075542 YCCBUXUJXQUOTR-UHFFFAOYSA-N 361.511 2.927 30 50 FFEA CC(=O)/N=C(\NCCc1c[nH]c2ccc(F)cc12)Nc1nc(C)cc(C)n1 18058527 CWWVWIVTMXOOKN-UHFFFAOYSA-N 368.416 2.861 30 50 FFEA Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1C(=O)C#CC(C)C 952894758 QMCQIDJUMUZZCR-CQSZACIVSA-N 357.376 2.622 30 50 FFEA CN(C)Cc1cc(O[C@@H]2CCN(c3ccc(Cl)c(C#N)n3)C2)ccn1 886027999 MEOFHAVGBCGNSE-OAHLLOKOSA-N 357.845 2.721 30 50 FFEA COc1cc(/C=C2\N=C(SC)SC2=O)cc(OC)c1OC(C)=O 2874155 BZTWTWUUPJBAIC-YHYXMXQVSA-N 353.421 2.962 30 50 FFEA Cc1cnc([C@H](C)/N=C(/O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)o1 329454371 PNDUGGZOXOYGJY-STQMWFEESA-N 371.393 2.825 30 50 FFEA CC(C)(O)C#Cc1ccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2)s1 71760229 YZKXSKUCUDMTDY-SMDDNHRTSA-N 364.474 2.736 30 50 FFEA CCN1CCC[C@@H](CN(C)Cc2cc(C#N)n(C)c2)[C@@H]1c1cnn(C)c1 364589957 OKFIWZZSJRSXAL-FXAWDEMLSA-N 354.502 2.535 30 50 FFEA N#Cc1ccc(CN(CC(F)(F)F)C(=O)C[C@H]2CCCC(=O)N2)cc1 377338939 DMDHBXLNDRVYSL-CQSZACIVSA-N 353.344 2.508 30 50 FFEA C#CCN(Cc1ccco1)C(=O)[C@@H]1CCCN(C2CCN(C(C)C)CC2)C1 14957960 OLXFFISAHXINJZ-LJQANCHMSA-N 371.525 2.826 30 50 FFEA C=CCOc1ccccc1CNC(=O)NC1CCC(N2CCOC2=O)CC1 1875288881 IMUHBQIDYQJVLV-UHFFFAOYSA-N 373.453 2.814 30 50 FFEA CN(C)Cc1cc(O[C@H]2CCN(Cc3ccc(C#N)cc3F)C2)ccn1 886056955 ZCQRFXPHEKSCEP-IBGZPJMESA-N 354.429 2.807 30 50 FFEA CCSc1nc(CC(=O)N2CCc3c(cnc(C)c3C#N)C2)cs1 55182992 ARVPEBKLYRBMLC-UHFFFAOYSA-N 358.492 2.958 30 50 FFEA N#Cc1cccnc1N1CCC(Cn2cc([C@@H](O)c3ccccc3)nn2)CC1 23339274 JFVCFPDFNULBJP-FQEVSTJZSA-N 374.448 2.543 30 50 FFEA Cc1ccc(NC(=O)N2CCCC[C@H]2CCN2CCN(C)CC2)cc1C#N 299776817 DFPYKSFNRTVWKF-FQEVSTJZSA-N 369.513 2.891 30 50 FFEA C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(O)(c2ccccc2)CC1 185902393 XGZJVNNTTZWDQW-MRXNPFEDSA-N 350.418 2.836 30 50 FFEA CCN1C(=O)/C(=C\NN=C2CCCC2)c2ccc(C3=NNC(=O)CC3)cc21 4350953 WFWVLASVABFAMP-VBKFSLOCSA-N 365.437 2.528 30 50 FFEA C=CCOc1ccc([C@@H]2CC(=O)NCc3nc(N(C)C)sc32)cc1OC 65506789 WQGFTIPRXCKVNJ-ZDUSSCGKSA-N 373.478 2.934 30 50 FFEA Cc1cc(CN(C[C@H]2CN(C)CCO2)C(=O)c2sccc2C#N)c(C)[nH]1 252527884 DPGNUTLTEUNCMC-QGZVFWFLSA-N 372.494 2.538 30 50 FFEA CCCN1CCC(/N=C(/O)N2CCO[C@H](c3nc(C)cs3)C2)CC1 328755208 SVRHNJDWJJZNJB-HNNXBMFYSA-N 352.504 2.613 30 50 FFEA C=CCOc1ccccc1C=c1sc2nc(-c3cccs3)nn2c1=O 254530102 CGWBPDNEIPNWFK-UHFFFAOYSA-N 367.455 2.992 30 50 FFEA C=CCOc1cc(Cl)c(CN2CCN3C(=O)OC[C@H]3C2)cc1OC 820491544 BRITTXZPRGANKG-CYBMUJFWSA-N 352.818 2.550 30 50 FFEA Cc1cccc(N/N=C2\C(=O)N(C(N)=S)N=C2c2ccccc2)c1C 5447726 MDCXISDQEOWNPM-PGMHBOJBSA-N 351.435 2.561 30 50 FFEA CO/C(=N\[C@H](NC(N)=S)C(Cl)(Cl)Cl)c1ccc(C)cc1 100297714 TYEHXYOJLURBQD-LGQZLYSRSA-N 354.690 2.918 30 50 FFEA O=C1C=C(N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)C(=O)c2ccccc21 100222454 DZZUYZXINNHEGM-SFHVURJKSA-N 360.369 2.716 30 50 FFEA in-vitro Cn1cc(C#N)cc1C(=O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91585655 MZHQDGIABGJKCL-OAQYLSRUSA-N 368.481 2.684 30 50 FFEA Cc1c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c2ccccc2n1C 245226718 JMKLJPSHWBKORH-JTVZQZNYSA-N 359.429 2.874 30 50 FFEA C[C@@H](C/N=C(\O)C(F)(F)C(F)(F)F)NC(=O)C(F)(F)C(F)(F)F 68572247 PWNFPORUSSGBMA-VKHMYHEASA-N 366.155 2.843 30 50 FFEA biogenic C=CCc1cc(OC)cc(CN2CCN(C(=O)N3CCCCC3)CC2)c1O 844258146 XQDGJOCQOGWNGI-UHFFFAOYSA-N 373.497 2.853 30 50 FFEA COc1cc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)cc(OC)c1OC 1429747 ONEAQYGIKRIZFF-CYBMUJFWSA-N 374.437 2.512 30 50 FFEA Cc1ccc(N/C(=N/OCc2ccc([N+](=O)[O-])cc2)c2nonc2N)cc1 2811034 FAYVAVIJLUIBJG-UHFFFAOYSA-N 368.353 2.859 30 50 FFEA COc1ccc(OC)c(/C=N\N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 4796049 MLUPMJZKBMPXLH-YVLHZVERSA-N 360.326 2.991 30 50 FFEA CCc1nnc(/N=C(\O)CN2CCN(Cc3ccc(F)cc3)CC2)s1 20213840 LZBJXOWAVYGPSP-UHFFFAOYSA-N 363.462 2.645 30 50 FFEA COC(=O)C[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc(O)cc1 217749513 NVOQKBOWIRAJIZ-HNNXBMFYSA-N 352.342 2.930 30 50 FFEA biogenic CC(C)(C)c1ccn(C2(C(=O)O)CCN(c3cc(C#N)ccn3)CC2)n1 72410136 WWJJQKLGVCUAFG-UHFFFAOYSA-N 353.426 2.528 30 50 FFEA CC(C)(C)N1C[C@@H](N/C(O)=N/Cc2ccsc2Br)CC1=O 330407757 ZWGDBGSYVNPZNO-JTQLQIEISA-N 374.304 2.914 30 50 FFEA C=C(C)Cn1c(SCc2cccc(C)c2)nc2c1c(=O)[nH]c(=O)n2C 622446 CHLJKPRASCPVIL-UHFFFAOYSA-N 356.451 2.600 30 50 FFEA COc1nccc(N=C(O)N2CCCN(Cc3ccccc3)C[C@H]2C)n1 328759819 XATLMGSLKKMFQH-OAHLLOKOSA-N 355.442 2.627 30 50 FFEA C=CCn1cc(-c2cc(-c3cc(C(=O)OC)oc3C)nc(N)c2C#N)cn1 71479630 OIPFHPVQHWOEHC-UHFFFAOYSA-N 363.377 2.940 30 50 FFEA COc1cc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O 35989380 FEQGCFQXIIRDDF-SNVBAGLBSA-N 360.366 2.556 30 50 FFEA C=CCC(=O)N(CCN(C)C)C[C@H]1CCCN(Cc2ccccc2OC)C1 15079088 ABGZZNMOGQBHMD-IBGZPJMESA-N 373.541 2.874 30 50 FFEA O=c1c2c3c(sc2ncn1/N=C/c1cccc([N+](=O)[O-])c1O)CCCC3 38159984 ZJOUXUIKFKTCMF-UFWORHAWSA-N 370.390 2.833 30 50 FFEA C[C@H]1[C@H](C)C[C@@H]2C(=O)C=C3OCO[C@]34Oc3cc5c(cc3[C@H]1[C@H]24)OCO5 34095164 GMTJIWUFFXGFHH-UEHZMWGCSA-N 356.374 2.967 30 50 FFEA biogenic CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCC)cc1 753508 GTYXABNBHJRXTF-INIZCTEOSA-N 357.406 2.940 30 50 FFEA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccc(C#N)c3)C1)CC2 2356137269 VPAKSYASJUTGKP-OAQYLSRUSA-N 361.449 2.534 30 50 FFEA N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CCOc3ccccc3C2)CC1 95499327 SZIOCDOUJBEYPX-GOSISDBHSA-N 361.445 2.848 30 50 FFEA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 95371443 CIRZWQDCZMHHNC-LJQANCHMSA-N 365.481 2.726 30 50 FFEA C=CCn1c(CN(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)nc2ccccc21 1704339693 WVRVXEFWUCFVEX-IXDOHACOSA-N 352.482 2.911 30 50 FFEA CC#CC(=O)N1CCC(C(=O)Nc2cccc(-c3nnc(C)s3)c2)CC1 11701320 NSBJBCYVLONKOP-UHFFFAOYSA-N 368.462 2.714 30 50 FFEA Cc1ncc(CO)c(/C=N/N=C/c2cc(Br)ccc2O)c1O 3001217 FHZUJDDQONILOU-JRGWAENISA-N 364.199 2.509 30 50 FFEA C/C(O)=N/C[C@H]1CCn2ncc(C(=O)N3CCc4ccc(C)cc43)c2C1 328602339 BEDAXSLPCNPWCH-HNNXBMFYSA-N 352.438 2.933 30 50 FFEA COc1ccc(/C(N)=N/OC(=O)COc2ccccc2Cl)cc1OC 4725433 CFPGNWOLPFZBOI-UHFFFAOYSA-N 364.785 2.600 30 50 FFEA OCCC#Cc1ccc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)cc1 20600339 RJBSYFJRXJNHQF-QHCPKHFHSA-N 370.537 2.622 30 50 FFEA N#Cc1ccsc1C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 328627365 MSLJTCSXPBDALA-OAHLLOKOSA-N 368.462 2.908 30 50 FFEA C[C@@H](C/N=C(/O)N1C[C@@H]2CC[C@H](C1)O2)Oc1ccccc1Br 330138987 VZCUJYLAXSFEIC-RWMBFGLXSA-N 369.259 2.994 30 50 FFEA C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)N1CCOCC1 4943768 OBOFJTNPQQDPBO-UHFFFAOYSA-N 362.817 2.830 30 50 FFEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2ccccc2O)cc1 6876130 AISZPONEGSTYOY-WOJGMQOQSA-N 355.423 2.916 30 50 FFEA COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2cccnc2)c(OC)c1 5669032 KFDDKGASDIPLEI-KRWDZBQOSA-N 354.362 2.588 30 50 FFEA CC(C)(C)n1cc(C#N)c(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1 266837076 FLWXTTUZXTYLDG-ZDUSSCGKSA-N 355.373 2.713 30 50 FFEA C=CCNS(=O)(=O)c1ccc(NC(=O)COc2ccc(CC)cc2)cc1 4858639 UKAOLNSWNXWVHC-UHFFFAOYSA-N 374.462 2.731 30 50 FFEA CCC(=O)Nc1ccc(S(=O)(=O)N(CCC#N)CC(F)(F)F)cc1 173978792 COSMNSHTRODIKP-UHFFFAOYSA-N 363.361 2.502 30 50 FFEA C=CCn1c(S)nc(=O)c2c(C(=O)O)cc(-c3ccccc3F)nc21 20615911 PIGPWRQKLCTKKV-UHFFFAOYSA-N 357.366 2.771 30 50 FFEA N#Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C2Cc4ccccc4C2)C3)cn1 1565526026 WWTPYBHIZPFHGS-IERDGZPVSA-N 372.472 2.657 30 50 FFEA CN1CCN(C(=O)c2ccc(C#CC(C)(C)O)o2)[C@@H](c2ccccc2)C1 1506424664 MFVFIBHDEAHNSP-GOSISDBHSA-N 352.434 2.531 30 50 FFEA COC(=O)c1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1 5577576 KXKLMKWYQSYYSF-YBFXNURJSA-N 368.418 2.815 30 50 FFEA C=C(C)CN1CCN(c2cc(C)nc3c4c(C)cc(C)nc4nn23)CC1 2338369 VPRLLNYPXIXQGE-UHFFFAOYSA-N 350.470 2.901 30 50 FFEA CC(=O)N1c2ccc(S(=O)(=O)N(C)c3ccc(C#N)cc3)cc2C[C@H]1C 903145257 RNDBMCGVGZZAHD-CYBMUJFWSA-N 369.446 2.681 30 50 FFEA C=CC(=O)N(C)c1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1875374037 YEBKVILWRHZSSH-LJQANCHMSA-N 363.417 2.513 30 50 FFEA Cc1[nH]c(=N[C@@H]2CN(C(=O)C3(F)CC3)Cc3ccccc32)ccc1C#N 1875407545 CGZSLVSEKSHHQB-QGZVFWFLSA-N 350.397 2.681 30 50 FFEA CSc1ccccc1C(=O)N1CCN(c2ccccc2C#N)C(=O)C1 82114581 VMQDEXMSGKMFTB-UHFFFAOYSA-N 351.431 2.769 30 50 FFEA C[C@H](Cc1ccccc1)[n+]1c/c(=N\C(=N\Cc2ccccc2)N(C)C)o[nH]1 137071370 WDLGCTGLMFRNAI-CXMPSTCBSA-N 364.473 2.717 30 50 FFEA C=CCNC(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 15073658 SWMUFIKCLHINFA-LJQANCHMSA-N 363.408 2.675 30 50 FFEA CC1(C(=O)N2CCCC[C@]3(CCN(c4cncc(C#N)n4)C3)C2)CCC1 1875407860 JEQCROFERYUJER-HXUWFJFHSA-N 353.470 2.747 30 50 FFEA C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccco1 3624233 GWFXATSAJMZQOS-UHFFFAOYSA-N 362.440 2.615 30 50 FFEA N#Cc1cnn2c(=O)nc(SCc3cc(Cl)sc3Cl)[nH]c12 2325863646 QYGUOZKQMKQEDQ-UHFFFAOYSA-N 358.235 2.950 30 50 FFEA C=CCn1c(SCC(=O)O)nc2sc3c(c2c1=O)CC(C)(C)OC3 820776 SNSLCCKLTIUTBA-UHFFFAOYSA-N 366.464 2.672 30 50 FFEA C=CCOc1c(Cl)cc(CNCCCN2CCOCC2)cc1OC 2860655 GWTPJCPHTVWZLQ-UHFFFAOYSA-N 354.878 2.725 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(OC)cc1 6813287 WXMIMTJRGFSWPW-QGZVFWFLSA-N 371.389 2.821 30 50 FFEA CCc1cc(-c2cc(-c3cc(C(=O)OC)oc3C)nc(N)c2C#N)[nH]n1 71614836 NIXALSGDZZPTNE-UHFFFAOYSA-N 351.366 2.843 30 50 FFEA CO[C@H](C)c1noc(CN2CCCN(c3cccc(F)c3C#N)CC2)n1 301582951 VGBMWWZMUZMGNB-CYBMUJFWSA-N 359.405 2.500 30 50 FFEA CCCn1cc(C(=O)N2CCCN(Cc3cccc(C#N)c3)CC2)c(C)n1 1704355349 RKHDACYQOULCHA-UHFFFAOYSA-N 365.481 2.821 30 50 FFEA C=CCNC(=O)N1CCC[C@H](N(C)CCc2ccc(OC)c(OC)c2)C1 14974020 YLCGNSFZSBMIAQ-KRWDZBQOSA-N 361.486 2.538 30 50 FFEA COC(=O)c1cnc2c(c1)CCCN2C(=O)Cc1c(C)cc(C#N)cc1C 2325806544 RONUXLUHMKSDKD-UHFFFAOYSA-N 363.417 2.879 30 50 FFEA CSC[C@H](C)N/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1csc(C)n1 328635830 NQNGPVGELKFDOH-JKOKRWQUSA-N 360.524 2.619 30 50 FFEA CCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O 70669861 XTJKNGLLPGBHHO-HNNXBMFYSA-N 356.511 2.740 30 50 FFEA biogenic CCOc1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2O)cc1 32577087 JFLPSRZEDIXNNR-YVLHZVERSA-N 354.815 2.757 30 50 FFEA C#CCCC1(CCC(=O)N[C@H](C(=O)O)c2c(F)cc(OC)cc2F)N=N1 2325901159 WFTVZSNVUIRQGB-HNNXBMFYSA-N 365.336 2.571 30 50 FFEA N/C(=N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)N[N+](=O)[O-] 6457500 IYQJNNFNTLPDGS-AWQFTUOYSA-N 370.800 2.773 30 50 FFEA Cc1ncc2c(c1C#N)CCN(C(=O)[C@H]1CCCN(Cc3ccco3)C1)C2 55227415 ZEQMPFWDKAZQER-INIZCTEOSA-N 364.449 2.652 30 50 FFEA CC(C)(C)c1ccc(CN2CCN(c3ncc(C#N)c(N)n3)CC2)cc1 65375212 ZEMWKWOANYYFFC-UHFFFAOYSA-N 350.470 2.550 30 50 FFEA CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(C#N)[nH]2)CC1 120839143 BFXAXUVBVQQNRZ-AWEZNQCLSA-N 369.444 2.658 30 50 FFEA N#Cc1ccnc(-c2ccc(C(=O)N3CCC(c4nc[nH]n4)CC3)cc2)c1 426442794 ZLJZOACYMKKMHA-UHFFFAOYSA-N 358.405 2.758 30 50 FFEA CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(C#CC(C)(C)O)c1 65434127 GLIKRNIPNZSCSV-UHFFFAOYSA-N 351.402 2.810 30 50 FFEA C=CCCC(=O)N1CCC[C@H](CNC(=O)c2cc(OC)cc(OC)c2)C1 11718480 ABTVSHWUTLZHCC-OAHLLOKOSA-N 360.454 2.638 30 50 FFEA Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)cc1 17180062 KHBCCFUZWYQXNU-QGZVFWFLSA-N 354.406 2.728 30 50 FFEA C=CC(=O)N1CCC[C@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 1875370886 HPTFBBWBMNEMIH-HNNXBMFYSA-N 364.367 2.598 30 50 FFEA Cn1cnc([N+](=O)[O-])c1Sc1ncnc2c(C#N)c3n(c12)CCCCC3 2941229 OLLRGQXUVKKAFK-UHFFFAOYSA-N 369.410 2.822 30 50 FFEA N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)CC3CCCC3)C2)c(F)c1 330077287 MWQQWVKWYCVNQZ-MRXNPFEDSA-N 365.474 2.776 30 50 FFEA N#Cc1ccccc1CN1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 71765400 AJIGDFXYIXTDTA-UHFFFAOYSA-N 373.460 2.871 30 50 FFEA C=CCc1cc(CN2CCC(C(=O)O)(n3cccn3)CC2)ccc1OC 72463767 XXUMGGXPZRHZJL-UHFFFAOYSA-N 355.438 2.696 30 50 FFEA C=CCN(CC=C)C(=O)c1ccccc1OC1CCN(C(=O)COC)CC1 12205000 RQZWQXAKONOWBI-UHFFFAOYSA-N 372.465 2.517 30 50 FFEA COc1cc([C@H]2NC(=S)NC(c3ccccc3)=C2C(C)=O)ccc1O 13497056 VEQFIOLYKLLRDI-GOSISDBHSA-N 354.431 2.920 30 50 FFEA N#Cc1cccc(C(=O)N2CCNC(=O)[C@H]2c2c(F)cccc2Cl)c1 375174337 GDLNPQVXVXUOQJ-MRXNPFEDSA-N 357.772 2.664 30 50 FFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(OC)c1OC 636797 RWBGWTAORJVYSI-KRWDZBQOSA-N 357.406 2.845 30 50 FFEA Cc1cnc([C@H](C)/N=C(/O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)o1 329454370 PNDUGGZOXOYGJY-QWHCGFSZSA-N 371.393 2.825 30 50 FFEA N#Cc1ccc(O[C@H]2CCN(C(=O)NC3CCC(C(F)F)CC3)C2)nc1 459278549 MAPYRBXIVLLZAD-NRXISQOPSA-N 364.396 2.940 30 50 FFEA N/C(=N\OC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 4833810 BLLKMNJDKPWHQV-UHFFFAOYSA-N 364.155 2.835 30 50 FFEA Cc1c(C(=O)Nc2ccc(CC#N)cc2)cccc1N(C)S(C)(=O)=O 65362837 YUAWNLTUEJLHHJ-UHFFFAOYSA-N 357.435 2.709 30 50 FFEA COC[C@](C)(C#N)/N=C(/O)c1scc(C)c1I 330972949 SKAQZTOWQDYXIE-NSHDSACASA-N 364.208 2.894 30 50 FFEA N#Cc1ccc(C(=O)N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)cn1 92003825 JYVLWCVWMPBCTD-NRFANRHFSA-N 366.465 2.741 30 50 FFEA OCC#Cc1csc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)c1 828644593 JJKOHYRTWWISII-NRFANRHFSA-N 366.530 2.767 30 50 FFEA C=CCNC(=O)c1cn([C@H](C)CC)cc(C(=O)NCc2cccs2)c1=O 12212258 WKVPFDXUASHHRW-CYBMUJFWSA-N 373.478 2.727 30 50 FFEA N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCCN(C(=O)Cc3ccccc3)C1)CC2 225516883 HXJFONMMESCOMH-FQEVSTJZSA-N 373.456 2.929 30 50 FFEA CCc1nnc(N2C[C@@H]3CCC[C@]3(c3nnc(C)o3)C2)c(C#N)c1CC 912373267 LMDIYKPNOZZDHK-DJJJIMSYSA-N 352.442 2.723 30 50 FFEA C=CCCC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 82134260 AAYLOAFGBKPAET-OAQYLSRUSA-N 355.482 2.822 30 50 FFEA COc1ccc(Cl)cc1C(=O)O/N=C(\N)Cc1ccc([N+](=O)[O-])cc1 4685127 VUTUVARUXHWDLQ-UHFFFAOYSA-N 363.757 2.929 30 50 FFEA C=CCN(c1ccc(C(=O)Nc2cccc(OC)c2)cc1)S(C)(=O)=O 687835 OQTIFADSWZTXGY-UHFFFAOYSA-N 360.435 2.900 30 50 FFEA CCc1cc(C#N)ccc1NC(=O)NC[C@@H](O)c1cc(OC)cc(OC)c1 95505763 QYOMFSAYFCKIGJ-LJQANCHMSA-N 369.421 2.993 30 50 FFEA COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C)cc1OC 15951932 LUHTVXGEIAPNSC-KRWDZBQOSA-N 353.374 2.912 30 50 FFEA CC(C)[C@@H](C#N)CS(=O)(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 1875321088 UEMWWKQQATZLDV-HNNXBMFYSA-N 358.467 2.778 30 50 FFEA O/C(CN1CCN(Cc2ccc(F)cc2Cl)CC1)=N\c1nncs1 20435983 MFDMSGOPZDNNME-UHFFFAOYSA-N 369.853 2.736 30 50 FFEA Cc1c(C(=O)[C@@H](C#N)c2ccc(F)cn2)cnn1CCO[C@@H]1CCCCO1 131145001 AQPHPVRLHRLJNA-MAUKXSAKSA-N 372.400 2.759 30 50 FFEA C=CCOc1nc2ccc(C)cc2cc1CNCCCN1CCOCC1 12040151 HFYBXAGZJKYJPR-UHFFFAOYSA-N 355.482 2.920 30 50 FFEA C[Sn](C)(C)C#C[Sn](C)(C)C 169743337 CDIFRACRLLNHOO-UHFFFAOYSA-N 351.654 2.745 30 50 FFEA COC(=O)c1sc(B2OC(C)(C)C(C)(C)O2)c(C)c1Br 1857786209 BOOBGVLPHJLMJS-UHFFFAOYSA-N 361.066 2.905 30 50 FFEA N/C(=N/OCC(=O)N1CCCCCCC1)c1cccnc1N1CCCCC1 119863960 UZNXDLPRLGYGQE-UHFFFAOYSA-N 373.501 2.502 30 50 FFEA Cc1cc(N=C(O)CN(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)on1 328631565 KQKXMDFMNMUAOC-LLVKDONJSA-N 371.363 2.981 30 50 FFEA CCOc1ccc(/C=N/n2c(S)nnc2-c2ccncc2)cc1OC 1251679 GYPORSISIVFJII-YBFXNURJSA-N 355.423 2.918 30 50 FFEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCC1CC1)C2 14731986 SSFOOZPNKMDAQG-KRWDZBQOSA-N 356.514 2.942 30 50 FFEA C[C@H]1CCS(=O)(=O)CCN1/C(O)=N/[C@@H]1C[C@H]1c1c(F)cccc1Cl 328601394 FJYQNQZYLNZHTI-MISXGVKJSA-N 374.865 2.758 30 50 FFEA COc1ccc(C)cc1CC(=O)NC1CCN(/C(O)=N/C(C)(C)C)CC1 330675556 JJPCJBAXABNUFW-UHFFFAOYSA-N 361.486 2.839 30 50 FFEA Cc1nc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)NCc2ccco2)cs1 328648455 UOUAQAQJVIQAAB-JSGCOSHPSA-N 352.435 2.661 30 50 FFEA COc1cc(-c2nc(CNC(=O)c3ccc(C#N)nc3)c(C)o2)ccc1O 1857679876 YVYALXDXIUPMAE-UHFFFAOYSA-N 364.361 2.561 30 50 FFEA CN(C)Cc1cc(O[C@H]2CCN(Cc3ccc(F)cc3C#N)C2)ccn1 886096398 DTTHFMQFKIUTKG-FQEVSTJZSA-N 354.429 2.807 30 50 FFEA Cc1cc(OCC(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)ccc1Cl 4725406 BXZSEZILXPUAGA-UHFFFAOYSA-N 363.757 2.799 30 50 FFEA C[C@H](C1CC1)n1cc(N=C(O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)cn1 330214657 LVDVGBATXKQYEC-XHBKTUGNSA-N 370.457 2.785 30 50 FFEA CC(=O)c1cccc(C(=O)N2CC(=O)N(c3ccc(C#N)cc3)C[C@@H]2C)c1 82087583 XUZHONKTPDDHNU-AWEZNQCLSA-N 361.401 2.638 30 50 FFEA COc1cc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccc(F)cc3)S2)ccc1O 18209488 LMPXOCAGHMWLDY-OVEPSTSESA-N 373.409 2.704 30 50 FFEA CC(C)[C@H]1COCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 2325784194 HFEIKUDWHVQVQV-DLBZAZTESA-N 359.445 2.655 30 50 FFEA C#CCCC1(CCC(=O)Nc2cccc(N3C(=O)CCC3=O)c2C)N=N1 2325892222 FMDSTTQCLNHGQG-UHFFFAOYSA-N 352.394 2.943 30 50 FFEA N#Cc1c(-c2cnc(NC[C@H]3CCCO3)nc2)cc(-c2ccc[nH]2)nc1N 71721373 LBUYJBWRSSBPDK-CYBMUJFWSA-N 361.409 2.578 30 50 FFEA COc1ccc(-c2c(C#N)c(N)nc3c2C[C@H](N)CC3)c(Cl)c1OC 71762089 HIYFVUDBAFHBGR-SECBINFHSA-N 358.829 2.689 30 50 FFEA N#Cc1cc(Br)c(C(=O)O)c(I)c1 263624422 QIIPNTZHRBGYCO-UHFFFAOYSA-N 351.925 2.624 30 50 FFEA CC(C)(O)C#Cc1ccc(CN2CCCN(Cc3ccccn3)CC2)cc1 670453940 ZBQIFBQLRLQUBM-UHFFFAOYSA-N 363.505 2.912 30 50 FFEA C=CCOC(=O)c1sc(NC(=O)COc2ccc(F)cc2)nc1C 2899025 MWVZGXVNAVBOOU-UHFFFAOYSA-N 350.371 2.951 30 50 FFEA OC(=Nc1ccsc1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328630230 PQDTXUDGCAPXLQ-OAHLLOKOSA-N 359.455 2.757 30 50 FFEA N#Cc1cccc(N2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)n1 96133798 DZNNCBNNPDRQHQ-UHFFFAOYSA-N 374.452 2.508 30 50 FFEA O=c1c2c3c(sc2ncn1/N=C/c1cc([N+](=O)[O-])ccc1O)CCCC3 826958 NTXKASMSOQNOKF-UFWORHAWSA-N 370.390 2.833 30 50 FFEA CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 16579295 HQKULEKIQSQWFI-UHFFFAOYSA-N 357.435 2.791 30 50 FFEA CC(C)(C)OC(=O)N1[C@H]2CC[C@@]1(C=O)CN(C(=O)OCc1ccccc1)C2 1857786700 ZBZUZVUAMAKVGR-JXFKEZNVSA-N 374.437 2.976 30 50 FFEA Cc1ccc(OCCOCCOc2cccc(/C=N/n3cnnc3)c2)cc1 2884044 WWUHUFYBURBDFK-OEAKJJBVSA-N 366.421 2.943 30 50 FFEA COc1ccc(C(=O)C[n+]2ccc(-c3ccc(OC)c(OC)c3)nc2)cc1 6127718 HMDFTYINUXJNQE-UHFFFAOYSA-N 365.409 2.945 30 50 FFEA COc1ccc(NC(=O)CSc2nc(O)cc(C)c2C#N)cc1OC 8762888 VGANLMVUQOPBSN-UHFFFAOYSA-N 359.407 2.715 30 50 FFEA Cc1ccc(N=C(O)C2CCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)nc1 329381656 QKHYTYJMUYSRFF-MRXNPFEDSA-N 367.453 2.676 30 50 FFEA Cc1[nH]c2ccc(C#N)cc2c1CCn1ccnc1-c1cc2n(n1)CCNC2 72479708 JTGUWCJQCWDHPT-UHFFFAOYSA-N 371.448 2.754 30 50 FFEA N#Cc1ncccc1S(=O)(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 373207719 FCJCJBIQUZPOGZ-UHFFFAOYSA-N 372.837 2.766 30 50 FFEA COc1c(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)nn1C 109351935 QVBALKVWAZDSCV-HNNXBMFYSA-N 357.433 2.507 30 50 FFEA Cc1cc(C#N)cc(C)c1C(=O)N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O 1875402686 KGQSKEWVHUOFKS-USXIJHARSA-N 372.856 2.595 30 50 FFEA CC(C)c1noc([C@H]2CCCN2C(=O)c2ccc(C#CC(C)(C)O)o2)n1 65497181 VYTURNPMYRECBV-CQSZACIVSA-N 357.410 2.886 30 50 FFEA Cc1nn(CCO)cc1-c1c(C)c([C@H]2CCOC(C)(C)C2)nc(N)c1C#N 67895287 NEJQWUASBNSGNK-AWEZNQCLSA-N 369.469 2.681 30 50 FFEA CSc1nnnn1-c1cccc(NC(=O)c2ccc(C#N)c(Cl)n2)c1 253630104 FHVIVHXYLWAXBP-UHFFFAOYSA-N 371.813 2.557 30 50 FFEA Cc1c(CN(C)Cc2cccc(C(=O)Nc3ccc(C#N)nc3)c2)cnn1C 67587372 DGJNMBOASSPRTO-UHFFFAOYSA-N 374.448 2.880 30 50 FFEA CC(C)(C)CCCS(=O)(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 241316698 LUDFDNCEZVGPIK-UHFFFAOYSA-N 363.527 2.832 30 50 FFEA CN1C(=O)CC[C@H](C(=O)NCc2cc(C#N)ccc2F)[C@@H]1c1ccccc1 174425105 OHIUWJLAFDWSIB-PXNSSMCTSA-N 365.408 2.923 30 50 FFEA O=C(N[C@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1 3045084 CYRKHKSTQZXEFE-SECBINFHSA-N 351.193 2.906 30 50 FFEA C=CCNc1cc(N2CCN(C(=O)c3ccco3)CC2)ccc1[N+](=O)[O-] 4740967 QFGKFZFWTNULIL-UHFFFAOYSA-N 356.382 2.748 30 50 FFEA Cc1c(C(=O)N(C)CC2(N3CCCCC3)CCCCC2)c[nH]c(=O)c1C#N 72478718 ABLQKVQTQULYKN-UHFFFAOYSA-N 370.497 2.816 30 50 FFEA O=S(=O)(/N=C(\O)OC[C@H]1CCCN2CCCC[C@H]12)Oc1ccccc1 36034369 VHCVKDWHJIEYJP-GDBMZVCRSA-N 368.455 2.505 30 50 FFEA Cn1ccnc1[C@@H](N/C=C1/C(=O)Oc2ccccc2C1=O)c1ccccc1 828327172 DACZKTUSHCOVRK-QCUIPMNBSA-N 359.385 2.785 30 50 FFEA CNS(=O)(=O)c1cccc([C@H](C)Nc2nc3ncccc3cc2C#N)c1 1472683684 ONRYDHHETTVBSX-LBPRGKRZSA-N 367.434 2.583 30 50 FFEA C=CCNC(=O)c1sc2ncnc(NCCN3CCCCC3)c2c1C 14952903 MKDFRWMZCSBWSL-UHFFFAOYSA-N 359.499 2.813 30 50 FFEA COc1ccc2c(c1)c(N1CCC(c3ncc[nH]3)CC1)c(C#N)c(=O)n2C 2325789539 WSGMSFXIZNTLQS-UHFFFAOYSA-N 363.421 2.526 30 50 FFEA C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(Br)c1 4263693 OCLVMKCGPWMXHB-CYBMUJFWSA-N 351.200 2.806 30 50 FFEA C=CCn1nc(C(=O)O)c2c1CC[C@@H](N1CCC(c3ccncc3)CC1)C2 67895979 SWQXXDMTRDIYDD-QGZVFWFLSA-N 366.465 2.899 30 50 FFEA Cc1c(Cl)cccc1N/C(N)=N/c1nc(-c2ccncc2)cc(=O)[nH]1 22607749 GTSILGOQGLKTST-UHFFFAOYSA-N 354.801 2.852 30 50 FFEA COc1cccc(/C=N/n2c(S)nnc2COc2ccccc2)c1O 1475886 HXNAVQPCTYOPGN-VCHYOVAHSA-N 356.407 2.742 30 50 FFEA C#CCN(Cc1ccco1)C(=O)c1cc(Cn2c(C)nc3ccccc32)[nH]n1 12203221 RZOJNQVLJAHSPD-UHFFFAOYSA-N 373.416 2.985 30 50 FFEA C[C@@H](N[C@@H]1CCCC[C@@H]1Cc1nnc(O)n1C)c1ccc(C#N)c(F)c1 888099032 PNTGTPLRCWROJU-SUYBPPKGSA-N 357.433 2.984 30 50 FFEA C=CCn1c(N)cc(=O)nc1S[C@H](C)C(=O)Nc1cccc(Cl)c1 2751111 YVHPQNWPKRPGFO-SNVBAGLBSA-N 364.858 2.784 30 50 FFEA N#Cc1nccnc1N1CCC[C@@H](c2nn(-c3ccccc3)cc2C(=N)O)C1 328607301 VIFUAKWKADARCY-CQSZACIVSA-N 373.420 2.801 30 50 FFEA COc1c(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)nn1C 109351933 QVBALKVWAZDSCV-OAHLLOKOSA-N 357.433 2.507 30 50 FFEA Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2nnn(-c3ccccc3)c2C)c1 918487103 JVHHPLVZAGPWAK-QGZVFWFLSA-N 359.389 2.845 30 50 FFEA N#Cc1cnn2c(=O)nc(SCc3cscc3C(F)(F)F)[nH]c12 2325863527 MSTXJYBDQQDULN-UHFFFAOYSA-N 357.342 2.662 30 50 FFEA N#Cc1cccc(CN2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c1 2356148565 GAKZPNYZUNHNBK-KCZVDYSFSA-N 367.493 2.819 30 50 FFEA C[C@@H](CN1CCC(/C(O)=N/CCN2CCOCC2)CC1)c1ccccc1 22241740 URJQMSDYIBFZBX-SFHVURJKSA-N 359.514 2.791 30 50 FFEA N#Cc1cccnc1N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 72409076 SFHSDBFKUYNODG-OAQYLSRUSA-N 361.449 2.757 30 50 FFEA N#Cc1ccccc1CN1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 71738546 QZTGEGAWRNRQBW-IBGZPJMESA-N 366.509 2.513 30 50 FFEA CCCN1CCC(CC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 95382975 WBFFJUJBZLMYGM-UHFFFAOYSA-N 354.498 2.719 30 50 FFEA O=C1C=C[C@@H](Nc2ccc([N+](=O)[O-])cc2)[C@H]1Nc1ccc([N+](=O)[O-])cc1 5014555 NTRZVTZLASRAHE-NVXWUHKLSA-N 354.322 2.903 30 50 FFEA C[C@@H]1CCc2sc(C(=O)NS(=O)(=O)c3cccc(C#N)c3)cc2C1 916808993 JNESGADUTSBAOO-LLVKDONJSA-N 360.460 2.863 30 50 FFEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccco1 19882566 OAHUCMQJANXRCR-KRWDZBQOSA-N 372.396 2.949 30 50 FFEA C/C(=C\c1cc(Cl)ccc1O)CN1CCN(c2nccnc2C#N)CC1 65395866 XMXMWHVOYQJOMI-GXDHUFHOSA-N 369.856 2.933 30 50 FFEA CC#CCN(Cc1ccco1)C(=O)c1cc(Cn2nc(C)cc2C)[nH]n1 12316854 IJMSIKIOIKUOKR-UHFFFAOYSA-N 351.410 2.530 30 50 FFEA C/C=C\C[C@H](C)C[C@H](C)/C(O)=C1/C(=O)N[C@H]([C@H](O)c2ccc(O)cc2)C1=O 238784577 IWIISBMWNKBQQH-OMBQEDPYSA-N 373.449 2.934 30 50 FFEA C#CCCC1(CCC(=O)N2CC[C@@](Cc3ccccc3)(C(=O)O)C2)N=N1 2325900919 NPSKGKYVKGDYGI-IBGZPJMESA-N 353.422 2.888 30 50 FFEA N#Cc1c[nH]c(C(=O)N2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)c1 2356154238 NQBJZFNCTOVTQY-OAQYLSRUSA-N 362.433 2.684 30 50 FFEA CC1(C)CC(=O)c2cc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)c(=O)[nH]c2C1 225499918 UJVCUOPBMBBWAP-INIZCTEOSA-N 355.438 2.684 30 50 FFEA N#Cc1ccc(N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)nc1 72476546 NIFMMEGAVLAYJH-OAQYLSRUSA-N 361.449 2.757 30 50 FFEA Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(C#CC(C)(C)O)cc2)C1 82086880 FSTQPLUVTMQQEC-GOSISDBHSA-N 351.450 2.562 30 50 FFEA COc1ccc2[nH]c(CNC(=O)c3ccc(C#CC(C)(C)O)o3)cc2c1 824758604 OIYCCVDAQGEBNS-UHFFFAOYSA-N 352.390 2.822 30 50 FFEA Cc1csc(/C(O)=N/C2CCN([C@@H]3CCN(C)C3=O)CC2)c1Cl 329159996 DZZUSJNHQZSDCR-GFCCVEGCSA-N 355.891 2.710 30 50 FFEA COc1ccc(/C=N/n2cnnc2)cc1COc1ccc(NC(C)=O)cc1 2954459 BUKFICSDWLFGRV-LSHDLFTRSA-N 365.393 2.706 30 50 FFEA CN(CC/N=C(/O)C1CCCC1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328646136 SKFBBSGWEARDLI-PKOBYXMFSA-N 361.534 2.882 30 50 FFEA N#Cc1cccc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 71764753 FEJDWYURQHZYMN-LJQANCHMSA-N 366.509 2.513 30 50 FFEA O/C(=N/[C@H]1CCc2ccccc2C1)N1CCN(c2cccc(O)c2)CC1 328808828 LUJOIKYNVRSXPB-SFHVURJKSA-N 351.450 2.986 30 50 FFEA OC(=Nc1cnns1)N1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 330256174 KKHUWEGKYONRQB-MNOVXSKESA-N 358.345 2.910 30 50 FFEA COC[C@@](C)(C#N)/N=C(/O)c1scc(C)c1I 330972948 SKAQZTOWQDYXIE-LLVKDONJSA-N 364.208 2.894 30 50 FFEA COc1ccc(-c2nnc(S)n2N=Cc2ccc(O)c(OC)c2)cc1 252429410 LLVALXGAPFYBOI-UHFFFAOYSA-N 356.407 2.839 30 50 FFEA CSc1ncccc1C(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C#N)cc1 1565525391 NJXBTHGUWFYNDZ-IRXDYDNUSA-N 369.446 2.641 30 50 FFEA CO[C@H]1CCCN(c2cc(C#N)c([N+](=O)[O-])c(N3CCC[C@@H](OC)C3)c2)C1 301390580 AJUCSBSEDBMNCP-DLBZAZTESA-N 374.441 2.697 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3F)C2)o1 1506398806 FSVAPKXJOMWPKD-HNNXBMFYSA-N 370.424 2.797 30 50 FFEA Cc1ccc2oc(N3CCC(C(=O)N4CCC[C@H](C#N)C4)CC3)nc2n1 1875242484 VJGYJJUFPIBOFZ-CQSZACIVSA-N 353.426 2.510 30 50 FFEA Cc1nc(SCC(=O)Nc2ccc(C(N)=O)cc2)c(C#N)c(C)c1C 705911 OJFUVGMNSPLFCD-UHFFFAOYSA-N 354.435 2.708 30 50 FFEA Cc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n(C)c1=O 427298343 BMVCSXFOQPYKKC-UHFFFAOYSA-N 353.403 2.519 30 50 FFEA CCc1c(C#N)c(N)nc(SCC(=O)OCc2ccccc2)c1C#N 19337959 QXKSXRIFPZHVRS-UHFFFAOYSA-N 352.419 2.805 30 50 FFEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccs1 19927974 QCOVMFKCDZTCKB-HNNXBMFYSA-N 360.435 2.871 30 50 FFEA C=CCn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 628111 VOKHHJBYBYYDOP-UHFFFAOYSA-N 362.842 2.555 30 50 FFEA biogenic O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc(Br)cc1)[C@H]1C=C[C@H]2C12CC2 105214522 QMTDZAVNWVAJSX-LPDTVVLISA-N 371.234 2.980 30 50 FFEA COC(=O)/C(=C/C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(OC)cc1 100567179 IMXQQZVKMTUBGA-WJDWOHSUSA-N 356.334 2.955 30 50 FFEA Cc1ccc2c(c1)CCCN2C(=O)CN1CCc2c(cnc(C)c2C#N)C1 65406746 XOOGOMRGHMICHD-UHFFFAOYSA-N 360.461 2.908 30 50 FFEA Cc1ccc(C#N)c(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)n1 82096960 GDFVJMKXSGDITC-UHFFFAOYSA-N 364.453 2.603 30 50 FFEA N#Cc1cccc(Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)c1 263617157 MIHVXOWDMPJMTA-UHFFFAOYSA-N 356.385 2.575 30 50 FFEA CCc1nn2c(N3CCN(CC#N)CC3)cc(C)nc2c1-c1ccccc1 20533546 PECRCTRHROXTGR-UHFFFAOYSA-N 360.465 2.913 30 50 FFEA C=CCC(=O)N1C[C@H](C)CN(C(=O)C(Br)=C(C)C)C[C@H]1C 2325878311 KWBZKHLYHNGAKW-CHWSQXEVSA-N 357.292 2.947 30 50 FFEA C=C(C)Cn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C 622442 UWUPJHZTZSIDKD-UHFFFAOYSA-N 356.451 2.600 30 50 FFEA N#Cc1cccc(N2CCN(Cc3ccc(Cn4cccn4)cc3)CC2)n1 65491247 LYRIFTMOLPSWAE-UHFFFAOYSA-N 358.449 2.520 30 50 FFEA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(Cc2cc(C#N)cs2)CC1 328656192 ZCHJMSREIOCKNE-GOSISDBHSA-N 369.494 2.813 30 50 FFEA CCN(CC)c1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 244899402 ZJFAFNLKQZZYEM-RPZLJYRGSA-N 363.461 2.920 30 50 FFEA C=CCn1c(SCC(=O)NC2=NCCS2)nnc1-c1ccc(C)cc1 13945021 QSCAKSGAMOQQIE-UHFFFAOYSA-N 373.507 2.751 30 50 FFEA C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1nc(C)cs1 253408182 XXNFCZIPHXCKEL-UHFFFAOYSA-N 369.899 2.997 30 50 FFEA Cc1ccc2[nH]c(=O)c(CN3CCN(c4ccccc4C#N)C(=O)C3)cc2c1 82120322 RNEBMVQGDFTYRO-UHFFFAOYSA-N 372.428 2.557 30 50 FFEA CC[C@H](Oc1ccccc1)C(=O)O/N=C(\N)Cc1ccc([N+](=O)[O-])cc1 4985695 DAFLPVSEMJZGNO-INIZCTEOSA-N 357.366 2.810 30 50 FFEA C=CCN1CC[C@@]2(CCC1=O)CN(CCSc1ccccc1)CCN2C 91769565 KAALUDFUFCWHKB-NRFANRHFSA-N 373.566 2.963 30 50 FFEA O=C(O)C[C@@H]1S/C(=N/N=C/c2ccccc2)N(c2ccc(O)cc2)C1=O 5101629 ZFXSHIOAVVLRMG-GVEDISACSA-N 369.402 2.705 30 50 FFEA N#Cc1ccc(NC[C@H]2CCC3(CCC3)[C@H]2NC(=O)c2cocn2)cn1 1875407730 GULBSZCJFGVZMF-DYVFJYSZSA-N 351.410 2.732 30 50 FFEA C#CCCC1(CCNC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)N=N1 2325891057 OCNRPEVUQVVDFS-UHFFFAOYSA-N 366.469 2.908 30 50 FFEA C#CCCC1(CCNC(=O)c2ccc(NCCn3ccnc3)cc2)N=N1 2325891472 IWOBVEVZGKRAOS-UHFFFAOYSA-N 350.426 2.691 30 50 FFEA N#Cc1cccc(S(=O)(=O)N2CCC3(CC2)OCCc2sccc23)c1 2356134049 VCHDOWSJFJCHFP-UHFFFAOYSA-N 374.487 2.872 30 50 FFEA COc1cc(OC)nc(-c2ccc(C(=O)N3CCC[C@@H](C#N)C3)cc2)n1 426502829 COZDGNAIOLTJIF-ZDUSSCGKSA-N 352.394 2.537 30 50 FFEA N#Cc1cccnc1N1CCN(C[C@H]2CCN(Cc3ccccc3)C2)CC1 252497537 QKBMFQQDSACRQL-HXUWFJFHSA-N 361.493 2.597 30 50 FFEA C=CCN(CC=C)C(=O)c1ccc(OC2CCN(C(C)=O)CC2)c(OC)c1 11816351 NAWGFRDIVLXSDK-UHFFFAOYSA-N 372.465 2.899 30 50 FFEA N#Cc1cccc(C2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)c1 91973915 DETOBBAGPUYQRH-UHFFFAOYSA-N 365.477 2.913 30 50 FFEA COC(=O)c1cc(Br)c(I)cc1C#N 263624451 QOTDMSMHVAPRKL-UHFFFAOYSA-N 365.952 2.712 30 50 FFEA Cc1c(C#N)c(NC(=O)CN(CCO)C(C)C)n(-c2ccccc2)c1C 170653646 NSSJBVXLOQYNMG-UHFFFAOYSA-N 354.454 2.607 30 50 FFEA Cc1ccc(S(=O)(=O)NCCCNc2nc(C)cc(C)c2C#N)cc1 1506430155 XASMIADQTGJFRR-UHFFFAOYSA-N 358.467 2.659 30 50 FFEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccncc1 19884093 UWSGAXZROWZFHU-GOSISDBHSA-N 365.433 2.612 30 50 FFEA CC(C)[C@](C)(C#N)NC(=O)CN[C@H]1Cc2ccccc2O[C@@H]1C(F)(F)F 1857532594 ARTLDICUTPBCGJ-JQFCIGGWSA-N 369.387 2.565 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc3c(c2)CCN3C(=O)COC)N=N1 952879177 ATVQTSSRRDHJPK-UHFFFAOYSA-N 354.410 2.516 30 50 FFEA COc1ccc(N/C(O)=N/S(=O)(=O)c2ccc(C)cc2)c(OC)c1 862254 DTFJCVKLBXSCLC-UHFFFAOYSA-N 350.396 2.727 30 50 FFEA COC(=O)c1sc(NC(=O)c2cccc(OC)c2OC)c(C#N)c1C 1053433 GVUSRLVXRBCGQK-UHFFFAOYSA-N 360.391 2.984 30 50 FFEA C=CCn1nc(C(=O)O)c2c1CC[C@H](N1CCOc3ccccc3C1)C2 67434117 BKQRWTQYQVFSFX-HNNXBMFYSA-N 353.422 2.519 30 50 FFEA C[C@@H]1c2nnc(C3CCCC3)n2CCN1/C(O)=N/Cc1noc(C2CC2)n1 329372621 JMHPFBPSFIIMPX-LLVKDONJSA-N 371.445 2.687 30 50 FFEA Cc1cc2c(cc1CN1CC(=O)N(c3ccccc3C#N)C[C@@H]1C)OCO2 82099081 HYOIOYJZBWVDBT-HNNXBMFYSA-N 363.417 2.833 30 50 FFEA COc1ccnc(COc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1OC 204078980 FSQUMXBFVYEYGZ-UHFFFAOYSA-N 371.242 2.977 30 50 FFEA N/C(=N\OC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc([N+](=O)[O-])c1 4576898 VQMFAYVUWVLXGD-UHFFFAOYSA-N 364.701 2.634 30 50 FFEA O=C1C(O)=C(CC2=C(O)C(=O)[C@@H]3C=CC=C[C@H]3C2=O)C(=O)c2ccccc21 101022501 CSTUXAZAWKGUIT-ZYHUDNBSSA-N 362.337 2.590 30 50 FFEA COC(=O)C1=C(C)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 4094928 MTPQHQVTDBPAAH-NTEUORMPSA-N 354.318 2.815 30 50 FFEA COc1ccc([C@H]2CCN(S(=O)(=O)Cc3cccc(C#N)c3)C2)cc1 264468913 IIWAEOYJRGEHJZ-SFHVURJKSA-N 356.447 2.886 30 50 FFEA Cn1cc(C#N)cc1C(=O)N1CCC([C@@H](O)CCc2ccccc2)CC1 952974067 YJSMHIBLNGJURH-FQEVSTJZSA-N 351.450 2.743 30 50 FFEA C=C(C)CNC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 12029478 CSWUVANGQMEIPH-UHFFFAOYSA-N 372.465 2.781 30 50 FFEA C[C@@H]1C[C@@H]2C(=O)C=C3OCO[C@]34Oc3cc5c(cc3[C@@H]([C@@H]24)[C@@H]1C)OCO5 13458968 GMTJIWUFFXGFHH-NADRZMKCSA-N 356.374 2.967 30 50 FFEA biogenic N#Cc1cccc(NC(=O)N[C@H](Cc2c[nH]c3cccc(F)c23)C(=O)O)c1 1875320109 GZOVPSJLVBMTQC-MRXNPFEDSA-N 366.352 2.996 30 50 FFEA N#Cc1ccc2ncc(CNCc3ccccc3CN3CCCC3=O)n2c1 238056304 SNRLQXBNRLBXBN-UHFFFAOYSA-N 359.433 2.618 30 50 FFEA Cn1nc(C(=O)Nc2ccccc2C#N)cc1C(=O)Nc1ccccc1C#N 20617467 SVEYRCWRWUQQKF-UHFFFAOYSA-N 370.372 2.668 30 50 FFEA C=CC(=O)N1CCC(C(=O)N2CCC[C@H](Cc3ccc(C#N)cc3)C2)CC1 1875370020 XUFDWPSUJMPRKF-LJQANCHMSA-N 365.477 2.764 30 50 FFEA C=CC[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2[C@@H](C(=O)OC)[C@H]3C=C[C@@]12O3 2126623 RQCWAQWAWPQZFH-XZLOLGPPSA-N 359.809 2.744 30 50 FFEA biogenic CN(C)c1nc(N)nc(CSc2nc3c(cc2C#N)CCCCCC3)n1 4623373 JVRTVCWAFQWKLP-UHFFFAOYSA-N 369.498 2.738 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc(N3CCOCC3)cc2C(=O)O)N=N1 952876486 RXYIEDCBAZSPGL-UHFFFAOYSA-N 370.409 2.516 30 50 FFEA C=CCN(CCSc1ccccc1)C(=O)Cn1nc(Cl)ccc1=O 55254766 CYTSJQQQIYFEPP-UHFFFAOYSA-N 363.870 2.704 30 50 FFEA O=C([C@H](Cc1ccccc1)/N=C(/O)[C@@H]1CCC(F)(F)C1)N1CCOCC1 330130171 FEVWSATUMCEUGP-CVEARBPZSA-N 366.408 2.848 30 50 FFEA O=C1C[C@]2(CCN(C(=O)Nc3ccccc3C#Cc3ccccc3)C2)CN1 366028854 URSHKLWOLNYAMC-JOCHJYFZSA-N 359.429 2.830 30 50 FFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 95347206 LCLABDHKXTVHRE-QGZVFWFLSA-N 372.377 2.831 30 50 FFEA C=CCN1C[C@@H]2CN(C(=O)c3cc4ccccc4s3)C[C@]2(C(=O)O)C1 96180119 AXLIKFSQCMVGAA-AUUYWEPGSA-N 356.447 2.546 30 50 FFEA C=CCN(Cc1c[nH]nc1-c1cc2ccccc2o1)[C@H]1CCS(=O)(=O)C1 19225998 VWZKXZJFRMPCGJ-INIZCTEOSA-N 371.462 2.998 30 50 FFEA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3ccc(C#N)cc3F)CC2)O1 1857710578 FGWUNTHKJCVUPD-CRAIPNDOSA-N 360.429 2.868 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)N=N1 952883009 VVVDOEROYKVXMJ-UHFFFAOYSA-N 351.410 2.682 30 50 FFEA C=CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@@H](C#N)CCC23CCOCC3)cc1 1875371147 QVFCSEHMHBITHY-CRAIPNDOSA-N 353.422 2.640 30 50 FFEA N#CC12COC(CNC(=O)/C=C/c3ccccc3OC(F)(F)F)(C1)C2 2325782993 RTQOCYKQWNQKBC-AATRIKPKSA-N 352.312 2.787 30 50 FFEA COCCn1cc([C@H]2[C@H](C/N=C(/O)C(C)C)CC(=O)N2C(C)(C)C)cn1 328602907 DBXWFFIGLMUVJC-WMLDXEAASA-N 364.490 2.830 30 50 FFEA N#CC1(/N=C(/O)[C@H]2CCn3cncc3C2)CCN(Cc2ccccc2)CC1 329250238 UEHIXXRKJUXROC-SFHVURJKSA-N 363.465 2.960 30 50 FFEA C[C@H]1c2nnc(C3CCCC3)n2CCN1/C(O)=N/Cc1noc(C2CC2)n1 329372622 JMHPFBPSFIIMPX-NSHDSACASA-N 371.445 2.687 30 50 FFEA Cc1ncsc1N=C(O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 329958976 QWHJVMUBLMFWEY-LLVKDONJSA-N 359.407 2.864 30 50 FFEA N#Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)cn1 95371798 FZLCMUIHWQDFKI-GOSISDBHSA-N 372.432 2.613 30 50 FFEA N#Cc1ccc2c(c1)CCN(S(=O)(=O)c1c[nH]c3cccc(F)c13)C2 2325817787 WTDJEPMAFFLVQV-UHFFFAOYSA-N 355.394 2.926 30 50 FFEA C#CCCC1(CCNC(=O)Cn2ccc3c(NC(C)=O)cccc32)N=N1 2325891469 IPYWHUPEHOPRST-UHFFFAOYSA-N 351.410 2.682 30 50 FFEA C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CF 31996633 MYHOAFKYKANCBW-MKIDGPAKSA-N 364.457 2.759 30 50 FFEA C=CCNC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc1nc2c(C)cccc2[nH]1 209979553 JVMYMCQMPRDALJ-JKSUJKDBSA-N 368.481 2.639 30 50 FFEA CNc1ccccc1C(=O)/N=C(\N)Nc1nc(C)c2cc(OC)ccc2n1 18276948 UYMZXEQIGHUKGZ-UHFFFAOYSA-N 364.409 2.556 30 50 FFEA biogenic C#CC1(OC[C@H](O)CN2CCc3cc(OC)c(OC)cc3C2)CCCCC1 12419869 GLYLDZJJRNDIKA-LJQANCHMSA-N 373.493 2.776 30 50 FFEA biogenic CN(Cc1cc(C#CCO)cs1)Cc1nccn1Cc1ccccc1 828644588 HTPWDBXWSBESLB-UHFFFAOYSA-N 351.475 2.969 30 50 FFEA C#CCCC1(CCC(=O)N2CC[C@H](Cc3nc(C)c(C(=O)O)s3)C2)N=N1 2325900387 WPGMAMZCKSIIPJ-CYBMUJFWSA-N 374.466 2.896 30 50 FFEA C=CCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 2958048 LMILOORUMBHEEK-UHFFFAOYSA-N 364.854 2.838 30 50 FFEA C[C@H](/N=C(/O)OCc1ccccc1)C(=O)N1CC(C)(C)[C@H]1c1cnn(C)c1 328591785 JLZAYALVNRFXRL-WMLDXEAASA-N 370.453 2.849 30 50 FFEA CS(=O)(=O)c1cccnc1CNc1ccc(C(F)(F)F)c(C#N)c1 486478335 KTFANPVETGSTGR-UHFFFAOYSA-N 355.341 2.988 30 50 FFEA CC(=O)/N=C1/NC(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 5061654 DDIQFFDJQSKZDF-RIYZIHGNSA-N 357.347 2.961 30 50 FFEA C=CCN1C(=O)[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 1164127 BJUGBEHIZKJTEU-IBGZPJMESA-N 352.346 2.588 30 50 FFEA C=CCN1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 20160910 DPFNIXYURWJORM-UHFFFAOYSA-N 373.678 2.812 30 50 FFEA Cc1nsc(N2CCN(C/C(O)=N/CC3CCCCC3)CC2)c1C#N 329808262 BRYQZRDGHQVHGQ-UHFFFAOYSA-N 361.515 2.982 30 50 FFEA Cc1n[nH]c(C)c1-c1cc(-c2ccccc2OCC(=O)O)c(C#N)c(N)n1 71615043 XPBIMALCWUDDQX-UHFFFAOYSA-N 363.377 2.673 30 50 FFEA Cc1ccc(CN2CCN(c3nc(C)ccc3C#N)C[C@@H]2CCO)cc1 72448322 WUVFZUHIBGOTEL-FQEVSTJZSA-N 350.466 2.643 30 50 FFEA CCn1c(CCNC(=O)c2ccc(C#CC(C)(C)O)o2)nc2ccccc21 219546833 YMZBTLXZRLMARY-UHFFFAOYSA-N 365.433 2.744 30 50 FFEA C=CCn1c2ccccc2c2nnc(SCC(=O)NC(=O)OCC)nc21 334160804 MRORXPGXOOLRJM-UHFFFAOYSA-N 371.422 2.530 30 50 FFEA C=C(C)CN(CC)Cc1cnc(S(=O)(=O)CCC(C)C)n1CCOC 55054306 NOWPCEQCRDAHNN-UHFFFAOYSA-N 371.547 2.747 30 50 FFEA N#Cc1cccc(OCc2ccoc2C(=O)NS(=O)(=O)C2CCCC2)c1 151170599 WOHRLZPARVSGBR-UHFFFAOYSA-N 374.418 2.732 30 50 FFEA COc1nccc(N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)c1C#N 77342556 TTZFRXOQWSIIBF-HXUWFJFHSA-N 354.454 2.581 30 50 FFEA N#Cc1cccc(Cn2ccn3nc(-c4cccc(F)c4)c(CO)c3c2=O)c1 263616116 HDWSESNYFOZYJH-UHFFFAOYSA-N 374.375 2.714 30 50 FFEA C=C(C)[C@@H]1CC=C(CN2CCCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)CC1 1772818239 AVFWVBBCXNUGFG-RTWAWAEBSA-N 373.541 2.834 30 50 FFEA CC#CC(=O)N1CCc2c(cnc(C)c2CNC(=O)c2ccc(C)s2)C1 12247025 JRCMMLJHJREJDW-UHFFFAOYSA-N 367.474 2.598 30 50 FFEA C=C(C)CNC(=O)[C@H]1C[C@@](CC)(C(=O)OC)N(C)[C@H]1c1ccc(OC)cc1 15072325 JZUBBQOORSCKPY-WFXMLNOXSA-N 374.481 2.702 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)N=N1 1875381935 LMPWHXZHQIQAEJ-MRXNPFEDSA-N 353.426 2.765 30 50 FFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OC)c1 2055251 OZCRNIGHFYEONV-LJQANCHMSA-N 371.433 2.853 30 50 FFEA C[C@@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)Cn1ccc2ccccc21 426515473 DAUVSVQLJLDDSP-MRXNPFEDSA-N 372.428 2.777 30 50 FFEA C=CCC(O)(CC=C)CNC(=O)c1cn(Cc2ccc(Cl)cc2)nn1 12582417 SARPVTDSXNIULY-UHFFFAOYSA-N 360.845 2.593 30 50 FFEA COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccccc2)cc1 18028742 BSYGDHMKMNVSIX-GOSISDBHSA-N 367.401 2.656 30 50 FFEA biogenic CCc1nc(S[C@@H](C)C(=O)Nc2ccccc2Cl)[nH]c(=O)c1C#N 5239014 NJGBPBHAHQHYCI-VIFPVBQESA-N 362.842 2.977 30 50 FFEA Cc1nc(CN(C)C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cs1 885821604 IXNWTKIKMYJGQS-CQSZACIVSA-N 358.442 2.947 30 50 FFEA CN(C)Cc1cc(O[C@H]2CCN(c3ncc(C#N)cc3Cl)C2)ccn1 886041121 WNFLBRUASICGDJ-INIZCTEOSA-N 357.845 2.721 30 50 FFEA C#CCCC1(CCC(=O)NC[C@H]2CCN2Cc2ccc(OC)cc2)N=N1 2325892271 GZUMITSIPJBACF-QGZVFWFLSA-N 354.454 2.741 30 50 FFEA Cc1ccc(-c2nnc(-c3ccccc3S(=O)(=O)/N=C\N(C)C)o2)cc1 104751807 ZECGOIGTEHEYOP-UNOMPAQXSA-N 370.434 2.991 30 50 FFEA CCOc1cccc(C(=O)NCC2CCN(c3ccc(C#N)cn3)CC2)c1 952983627 WFBAYGSJYWRUDS-UHFFFAOYSA-N 364.449 2.998 30 50 FFEA C=CC[C@@H]1C=CC[C@@H](CC=C)N1S(=O)(=O)c1cccc(C(=O)NC)c1 1506414431 YWAVOPLCAGASOR-IAGOWNOFSA-N 360.479 2.886 30 50 FFEA O=C1C[C@H](C(=O)Nc2ccccc2)C2=C(C[C@H](c3ccco3)CC2=O)N1 100129520 WVXMFPBHRRHFRF-JSGCOSHPSA-N 350.374 2.755 30 50 FFEA Cc1c(C#N)c2ccccc2n1CC(=O)N1CCC[C@]2(CCC[C@H]2O)C1 2356159732 OKXQLOCFQWMOOR-TZIWHRDSSA-N 351.450 2.975 30 50 FFEA CN(Cc1nccs1)[C@H]1CC12CCN(/C(O)=N/C1CCOCC1)CC2 328622484 BGKJZBQINDAOEB-HNNXBMFYSA-N 364.515 2.522 30 50 FFEA CS(=O)(=O)Nc1ccc(F)c(-n2ccnc2-c2cccc(C#N)c2)c1 77323888 ZJKCXOIMJINKGC-UHFFFAOYSA-N 356.382 2.922 30 50 FFEA Cn1ccnc1[C@@H](/N=C(/O)N1CCC(C(F)F)CC1)C1CCOCC1 329341304 OVKYYXZLOCSJNV-AWEZNQCLSA-N 356.417 2.779 30 50 FFEA Cc1ccc(OCC(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)cc1C 13635619 IOWLRQQXTGMXDY-UHFFFAOYSA-N 357.366 2.649 30 50 FFEA CCOC(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)c2cccc(OC)c2)cc1 16134221 VGQJNEDGHFYJMG-QGZVFWFLSA-N 366.373 2.833 30 50 FFEA N#Cc1ccccc1N1CCN(C(=O)c2ccccc2-n2cccn2)CC1 19143690 ZJMMJTDVHBTHQS-UHFFFAOYSA-N 357.417 2.706 30 50 FFEA Brc1cc(/C=N/N=c2nc(-c3cccnc3)[nH]o2)cs1 1875252988 XORKZKVOSOFDSW-PJQLUOCWSA-N 350.201 2.824 30 50 FFEA C=C(Cl)CCC(=O)N1CCCN(C(=O)c2ccc(O)c(C)c2)CC1 2325877977 AOQLQYPUALAONM-UHFFFAOYSA-N 350.846 2.908 30 50 FFEA CSC1=Nc2oc3c(c2[C@H](n2ncc(C#N)c2N)N1)CC(C)(C)SC3 2478711 ZJRFVGAQLIHERX-ZDUSSCGKSA-N 374.495 2.998 30 50 FFEA CN1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)CC1 20481947 QOFWJWJQVGMXES-CQSZACIVSA-N 374.554 2.957 30 50 FFEA CO[C@@H]1CCCN(c2cc(C#N)c([N+](=O)[O-])c(N3CCC[C@@H](OC)C3)c2)C1 301390581 AJUCSBSEDBMNCP-IAGOWNOFSA-N 374.441 2.697 30 50 FFEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1cc(F)ccc1F)C2 14744629 VNKTZWKWXYOGSR-OAHLLOKOSA-N 374.435 2.696 30 50 FFEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1cc(F)ccc1F)C2 14744630 VNKTZWKWXYOGSR-HNNXBMFYSA-N 374.435 2.696 30 50 FFEA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1ccc(C#N)cn1)CC2 328655424 YKEQRINKFLJHDN-MRXNPFEDSA-N 367.478 2.536 30 50 FFEA O=C1C(Nc2cccc(F)c2)=C(N2CCOCC2)C(=O)c2ccccc21 4320666 BCOKXJDLBUOKPY-UHFFFAOYSA-N 352.365 2.861 30 50 FFEA C=CCN(C(=O)Cc1c(C)[nH]c2c(C)cc(C)cc12)[C@H]1CCS(=O)(=O)C1 67935294 VTGHJSMNKWFHIB-INIZCTEOSA-N 374.506 2.837 30 50 FFEA C=CCN1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1=O 253427362 MDTHUIJJTPATIW-HNNXBMFYSA-N 371.437 2.979 30 50 FFEA C=CCC(C)(C)CN1C[C@@H]2[C@H](CNC(=O)c3ccccn3)[C@H]3CC[C@]2(C1)O3 1857719310 JOKZRKNCZJCDOR-ODULNIPZSA-N 369.509 2.893 30 50 FFEA N#Cc1ccc(N2CCN(C(=O)[C@H]3OCCc4ccccc43)CC2)c(F)c1 138733108 SKSHOHWPDILGDO-FQEVSTJZSA-N 365.408 2.660 30 50 FFEA CC1(C)OB(c2ccc(C(=O)NOCc3ccccc3)cc2)OC1(C)C 169745814 XECXLZBBBRYLFW-UHFFFAOYSA-N 353.227 2.847 30 50 FFEA in-vitro CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)[C@@H](C#N)c1cnc2ccccc2n1 792107509 HGPSBGXSRICUMI-IFXJQAMLSA-N 373.416 2.656 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H](CC(C)C)C(=O)Nc2c(C)n[nH]c2C)N=N1 2325900289 SLYCJJJZRQHVAB-HNNXBMFYSA-N 372.473 2.852 30 50 FFEA C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 4704466 FGWDTFHYPCMAMJ-CPNJWEJPSA-N 374.396 2.982 30 50 FFEA COc1ccc(/C(N)=N/OC(=O)[C@H](C)Oc2ccccc2C)cc1OC 4833405 RHLZEBGXDPCMHI-ZDUSSCGKSA-N 358.394 2.643 30 50 FFEA CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2csc(N=C(C)O)n2)C1 328975703 WFXFMXHAEYGLHJ-OLZOCXBDSA-N 362.459 2.709 30 50 FFEA CN1[C@H]2CCC[C@@H]1c1c(nc(N)c(C#N)c1-c1cccc(OCCO)c1)C2 71752677 JSNJXZMCHXAXME-KBXCAEBGSA-N 364.449 2.655 30 50 FFEA COc1ccc(F)cc1C(=O)N1CC(=O)N(c2ccc(C#N)cc2)C[C@@H]1C 82133488 JXLLPLQAGGVNCP-ZDUSSCGKSA-N 367.380 2.583 30 50 FFEA COc1cc(C(=O)N2CCN(C(=O)c3cc(C#N)cs3)CC2)ccc1C 176963477 GOBZVKUSTBBCMP-UHFFFAOYSA-N 369.446 2.535 30 50 FFEA COc1cc(C(=O)/C=C2/Nc3cc4nc(O)[nH]c4cc3NC2=O)ccc1C 824592362 OGPFTPIXGKKNTD-OVCLIPMQSA-N 364.361 2.716 30 50 FFEA Cc1cc(=N[C@@H]2CC23CC(NC(=O)[C@@H]2CCC2(C)C)C3)[nH]c(C)c1C#N 1875408345 TZMUVYAFBZLEOR-VYAKWRIJSA-N 352.482 2.877 30 50 FFEA CN(C)c1nc(N/N=C/c2ccc(O)cc2)nc(Nc2ccc(F)cc2)n1 4474089 NIOQSVDQTLLTAX-RGVLZGJSSA-N 367.388 2.972 30 50 FFEA C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 333502480 CULMVNOGHSMVMH-KURKYZTESA-N 356.466 2.682 30 50 FFEA C=CCN(CC=C)C(=O)CCc1nnc(CCc2ccccc2OC)o1 12091671 VYKBNQWBSGWDQA-UHFFFAOYSA-N 355.438 2.997 30 50 FFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC(C)=O)cc1 19638297 XKXDNPJVRDCWPK-SFHVURJKSA-N 355.390 2.753 30 50 FFEA CCn1c([C@H]2OCC[C@H]2C)nn(C/C(O)=N/Cc2sccc2C)c1=O 328629811 IRFNHKZJYHQHCN-DOMZBBRYSA-N 364.471 2.689 30 50 FFEA Cc1nc(C)c(CNC(=O)N2CCN(c3ccccc3C#N)CC2)s1 266624552 VYPREIZWYPATJK-UHFFFAOYSA-N 355.467 2.663 30 50 FFEA C=CCN1CC[C@]2(CCC1=O)CN(C/C(C)=C/c1ccco1)CCN2C 107665181 CQFVEGCGVGZCAU-BKBDBRRMSA-N 357.498 2.868 30 50 FFEA C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1c1nc(C(F)(F)F)ccc1C#N 284585654 OKVQLYIMKGQDRI-IOASZLSFSA-N 355.360 2.728 30 50 FFEA N#Cc1cccc(-c2ccc(C(=O)N3CCN(C4CCCC4)C(=O)C3)cc2)n1 426477478 YRFIFGWQUINQKJ-UHFFFAOYSA-N 374.444 2.847 30 50 FFEA Cc1cc(C#N)c(-c2cccc(C(=O)NC3(C(N)=O)CCCC3)c2)nc1C 584886290 SEGVKHOHVOXTJK-UHFFFAOYSA-N 362.433 2.765 30 50 FFEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 1857726515 VKGOCYHZBOMSGZ-GOSISDBHSA-N 365.433 2.822 30 50 FFEA Cc1cc(C#N)nc(N[C@@H]2CCCCN(C(=O)c3cnsc3C)C2)n1 1875359645 LPEZZCPWNGEOOO-CYBMUJFWSA-N 356.455 2.528 30 50 FFEA COc1ccc([C@]2(C#N)C[C@H]3NCCN=C3CN2Cc2ccccc2)cc1 22576559 GMTZLFQZPBBABA-IFMALSPDSA-N 360.461 2.733 30 50 FFEA CO/N=C/c1ccc(N2CCN(C(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 4049813 BEYIUOQJPACBOC-LDADJPATSA-N 374.422 2.599 30 50 FFEA N#Cc1cc(-c2cccc(C(=O)NCC(=O)N3CCCC3)c2)ccc1F 426477534 HVNJJOXMUGBYNX-UHFFFAOYSA-N 351.381 2.717 30 50 FFEA C[C@@H](Cc1ccccc1)[n+]1c/c(=N\C(=N\Nc2ccccc2)N(C)C)o[nH]1 334159645 AKIMUKQHNWYDLE-INIZCTEOSA-O 365.461 2.544 30 50 FFEA C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)ccc2[nH]c1=O 1771591529 NEQYWYXGTJDAKR-JTQLQIEISA-N 354.797 2.925 30 50 FFEA C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H]1CC[C@]2(O)C(=O)CF 257358064 RKZQIIAUELZWEU-GYKIMFSQSA-N 362.441 2.535 30 50 FFEA N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cccc(C(F)(F)F)n3)C2)nc1 452009975 QDPBHWHDYOCDPB-GFCCVEGCSA-N 362.311 2.661 30 50 FFEA Cc1ccc(C(=O)ON/C(=N/c2ccccc2C)c2nonc2N)cc1 3661854 DQCZJLOSAKWNPM-UHFFFAOYSA-N 351.366 2.709 30 50 FFEA O=C(/C=C/C(=O)N1CCn2cccc2C12COC2)c1cccc(Cl)c1 2325805089 OOQITABPZDKEBK-VOTSOKGWSA-N 356.809 2.648 30 50 FFEA COc1ccccc1N1CCC(/N=C(/O)N2CC3(CCOCC3)C2)CC1 330162746 AJZPMQJXWQJJCB-UHFFFAOYSA-N 359.470 2.690 30 50 FFEA Cn1cnnc1C1CCN(/C(O)=N/CCc2ccc3ccccc3n2)CC1 329206186 DTFNGYUCCRDAAM-UHFFFAOYSA-N 364.453 2.699 30 50 FFEA C[C@@](O)(C/N=C(/N)N[C@@H]1CCOc2ccccc21)c1ccc(F)cc1F 262540256 RHHOIPJCULBOSA-VQIMIIECSA-N 361.392 2.600 30 50 FFEA C=CCOc1cccc(C(=O)N2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)c1 426544393 NMCUHEFMZQEQEN-MRXNPFEDSA-N 369.421 2.552 30 50 FFEA C=C(C)CN(C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCCCC2)c1 95497428 VCFHMKOGZUYBSL-IBGZPJMESA-N 362.514 2.929 30 50 FFEA N#Cc1cc(C#N)c(SCC(=O)Nc2cccc3cccnc23)nc1N 253471717 XVXSWFSECGPGQW-UHFFFAOYSA-N 360.402 2.686 30 50 FFEA C=CCn1c(SCc2ccc(C(=O)OC)o2)nnc1C1CCNCC1 534640144 DTYARNPESZGHCH-UHFFFAOYSA-N 362.455 2.603 30 50 FFEA O=S(=O)(N/N=C\c1ccc(O)c(O)c1)c1cc(Cl)ccc1Cl 32575554 FXIWIRYEFMQMEJ-APSNUPSMSA-N 361.206 2.717 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)o1 1506417027 JYEXDYAPBVBKHV-HNNXBMFYSA-N 366.417 2.532 30 50 FFEA COc1ccc(/C=N/NC(=S)NC2CCCCC2)c(OC)c1OC 3278762 PTLZTYRWKOIIDK-WOJGMQOQSA-N 351.472 2.843 30 50 FFEA C=C(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)B1OC(C)(C)C(C)(C)O1 1857785275 CAIAMWTXMQXSBN-LBPRGKRZSA-N 355.240 2.630 30 50 FFEA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1 1875269545 OUJLGAGZBXFOIJ-FXAWDEMLSA-N 353.422 2.879 30 50 FFEA C#CC[C@@H](NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21)C1CC1 2325806279 AMCLPCBSLKLYJQ-ZIAGYGMSSA-N 361.239 2.793 30 50 FFEA N#Cc1cc(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)n2c1CCCC2 2325865779 QIKBHZIBHRUWHH-HNNXBMFYSA-N 355.369 2.781 30 50 FFEA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(C#N)cc3)C1)CC2 2356154697 GOSYUECSHZWMSN-OAQYLSRUSA-N 361.449 2.534 30 50 FFEA C=CCN1C[C@H](C(=O)Nc2ccc(Oc3cccc(OC)c3)nc2)CC1=O 952961030 AJSBVSXPWBGRCA-CQSZACIVSA-N 367.405 2.856 30 50 FFEA Cn1ccc(N2CCC[C@@H](Nc3ccc(C#N)c(C(F)(F)F)c3)C2=O)n1 170642997 CQJXULXHWIMETC-CQSZACIVSA-N 363.343 2.918 30 50 FFEA COc1ccc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)c(OC)c1 941106 OEOSZFNRZPNEGC-VCHYOVAHSA-N 362.455 2.557 30 50 FFEA O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(Cl)cc1)c1ccccc1 17971484 KTDRPKOFZFSWDJ-INIZCTEOSA-N 357.793 2.911 30 50 FFEA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c1 1875269546 OUJLGAGZBXFOIJ-PXNSSMCTSA-N 353.422 2.879 30 50 FFEA COc1ccc(/C(N)=N/OC(=O)c2ccc(Br)o2)cc1OC 4906602 DHFSBZVMSKUERM-UHFFFAOYSA-N 369.171 2.537 30 50 FFEA CCc1c(C)cc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c(=O)n1C 216181547 XCJBXHZXJFYSIC-UHFFFAOYSA-N 363.461 2.954 30 50 FFEA COc1ccc(OC)c([C@@H]2O[C@@]3(C)OC(=N)[C@@](C#N)([C@H]3C)C2(C#N)C#N)c1 239305926 GFHRKJBJWRYYFO-MYBNSGEKSA-N 366.377 2.678 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)NCCc2nc3c(s2)CCCC3)o1 1506427178 VMEALMYKVGZHRW-UHFFFAOYSA-N 358.463 2.710 30 50 FFEA Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cc1 17139040 NTCQKYPCXHNSSY-SFHVURJKSA-N 365.433 2.530 30 50 FFEA Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cn1 864236098 XZNSXUWXRCECKA-JKSUJKDBSA-N 359.279 2.608 30 50 FFEA Cc1noc(C[C@]2(O)CCCN(Cc3ccccc3C(C)(C)C#N)C2)n1 886091649 FCXQYLUJPCZKCL-HXUWFJFHSA-N 354.454 2.749 30 50 FFEA COc1cc([C@H]2NC(=S)NC(C)=C2C(C)=O)cc(Br)c1O 6857150 GGPNSTXLLFOZLM-GFCCVEGCSA-N 371.256 2.545 30 50 FFEA C=CCOc1c(Cl)cc(CN2C[C@H](O)[C@@H](N3CCCC3)C2)cc1OC 55153232 JJUSMBXOMCKSMR-IRXDYDNUSA-N 366.889 2.554 30 50 FFEA N#Cc1ccsc1N1CC[C@H](N2CCC=C(c3cccnc3)C2)C1=O 298537120 MUMBAVAEPHEPQC-KRWDZBQOSA-N 350.447 2.909 30 50 FFEA COc1nc(N(C)Cc2ccc(C#N)cc2)nc(N2CCCCCC2)n1 301493385 QKKCYCCISXYDLV-UHFFFAOYSA-N 352.442 2.769 30 50 FFEA Cc1cc(CN2CCN(c3cccc(Br)c3C#N)CC2)on1 276354699 YLVPOXGZCYUKEK-UHFFFAOYSA-N 361.243 2.939 30 50 FFEA COc1cc(C(=O)NC(=S)Nc2ccc(C#N)cc2)cc(OC)c1OC 675722 MMDQHACQXBSSPP-UHFFFAOYSA-N 371.418 2.711 30 50 FFEA N#Cc1c(NC(=O)CSc2nnc(N)s2)sc2c1CCCC2 2846995 XXTWMYOTYDTURU-UHFFFAOYSA-N 351.482 2.663 30 50 FFEA C#CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 2985682 CJLXXBCHBBEKNQ-OWBHPGMISA-N 364.332 2.504 30 50 FFEA N#Cc1c(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2 225747665 RYXMVXQAXNBIMW-UXOAXIEHSA-N 360.435 2.705 30 50 FFEA CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 252428767 ZJFAFNLKQZZYEM-YNYYKJMLSA-N 363.461 2.920 30 50 FFEA CC(C)(C)OC(=O)N1C(=O)Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 169935908 COBKTUPAYDCBHU-UHFFFAOYSA-N 359.231 2.810 30 50 FFEA N#Cc1cnc(NCc2ccc3c(c2)CC[C@H]3NC(=O)C2(F)CC2)cn1 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COC(=O)c1c(Br)cc(C#N)cc1I 263625415 ZSRYXKJQLTXWCN-UHFFFAOYSA-N 365.952 2.712 30 50 FFEA N#Cc1c(Br)cc(I)cc1C(=O)O 263624061 NBVWEEBBKOCKBR-UHFFFAOYSA-N 351.925 2.624 30 50 FFEA C[C@H](NC(=O)N1CCCn2nc(C#N)cc2C1)c1nc2c(s1)CCCC2 584887206 ZMNCNNSEIUJORU-LBPRGKRZSA-N 370.482 2.767 30 50 FFEA Cc1ccsc1/C=N/N=C(/c1ccccc1)C12CN3CN(CN(C3)C1)C2 19321342 XNKBDTMPAAJVAH-VITKLESHSA-N 365.506 2.685 30 50 FFEA Cc1noc(C)c1[C@@H](C)C(=O)N1CCN(Cc2ccc(C#N)cc2)C[C@H]1C 225356899 OXSUASSFLQNYDT-HUUCEWRRSA-N 366.465 3.000 30 50 FFEA N#Cc1ccc(C(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)cc1 275785741 YYAVMRHXNOEPCP-SFHVURJKSA-N 362.433 2.847 30 50 FFEA N#Cc1cccc(CN2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)c1 1857736507 JRTFCGXOPONCPL-VWPQPMDRSA-N 359.429 2.833 30 50 FFEA C#CCCC1(CCNC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)F)N=N1 2325891703 WRYNZJLTNBPCOF-ZYHUDNBSSA-N 350.373 2.589 30 50 FFEA CC(C)=C1Oc2c(ccc(O)c2CN2CCN(CC(F)(F)F)CC2)C1=O 218548231 YYAKEFYZBYCLFC-UHFFFAOYSA-N 370.371 2.941 30 50 FFEA O=C1[C@H](O/N=C2/CCOc3ccccc32)CCN1c1cccc([N+](=O)[O-])c1 109145875 OFSGZFSVYWLPHP-HWLQVLAGSA-N 367.361 2.904 30 50 FFEA Cn1ccc(=NCC/N=C(/O)C2(c3ccc(Br)cc3)CC2)[nH]1 328591806 NVFXURNYAURQAV-UHFFFAOYSA-N 363.259 2.705 30 50 FFEA C#CCCC1(CCC(=O)N2CCn3c(C(=O)NC(C)C)ccc3[C@@H]2C)N=N1 1875381865 JZKWAWSVXKSMBW-HNNXBMFYSA-N 369.469 2.885 30 50 FFEA CCCN(CC#Cc1ccccc1)C(=O)Cc1nc(-c2ccncc2)n[nH]1 55401836 YIJWSUPHUXWIPG-UHFFFAOYSA-N 359.433 2.700 30 50 FFEA N#Cc1ccc(Cn2cnc(NS(=O)(=O)c3ccccc3Cl)n2)cc1 225454815 MVKPYOYKCXMRFN-UHFFFAOYSA-N 373.825 2.652 30 50 FFEA C=CCN1CCN(C(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC1 55060406 OYJUXHKXRQZKTQ-UHFFFAOYSA-N 362.470 2.827 30 50 FFEA Cn1c(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1-c1ccccc1 173000945 MOVFOBYUYONLNB-UHFFFAOYSA-N 371.444 2.921 30 50 FFEA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)/C(O)=N/Cc1ccoc1 328627896 GSSJOCRXBOCKHE-KBPBESRZSA-N 352.435 2.695 30 50 FFEA N#Cc1cccnc1N1CCN(C(=O)c2ccc([C@@H]3CCCO3)s2)CC1 91645522 HISKMPUTOBCXHO-HNNXBMFYSA-N 368.462 2.829 30 50 FFEA N#Cc1ccc(N2CCN([C@H]3CCc4ccccc4NC3=O)CC2)c(F)c1 191980556 UUQCMKAAWBBCFT-FQEVSTJZSA-N 364.424 2.773 30 50 FFEA CCOc1cc([C@H]2C3=C(CCCC3=O)Nc3nc(O)nc(O)c32)ccc1O 18180696 NCEUEJHVLLZFRA-AWEZNQCLSA-N 369.377 2.557 30 50 FFEA COc1ccc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1Br 4070648 HQLFHYJHYKWBFC-AWEZNQCLSA-N 363.215 2.927 30 50 FFEA Cc1c(C#N)c(NC(=O)CN2CCCC[C@@H]2C)n(C[C@H]2CCCO2)c1C 229678295 DNIXNUVBBVJQOI-WMLDXEAASA-N 358.486 2.969 30 50 FFEA CN1CCCC[C@H]1CC/C(O)=N/CC(=O)N1CCN(c2ccccc2)CC1 330344802 DJZINZWRRQKFPS-SFHVURJKSA-N 372.513 2.556 30 50 FFEA Cc1noc([C@@H](NCc2ccc(O[C@H](C)C#N)cc2)C2CCOCC2)n1 328619482 FVWWDSVMOFYINJ-ACJLOTCBSA-N 356.426 2.926 30 50 FFEA C=CCNc1nc(C2CC2)nc2c1CCN(C(=O)c1cscn1)CC2 72433216 OVIGQAUKKGESDM-UHFFFAOYSA-N 355.467 2.649 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(OC)c1 5013457 SWKRGKYQVXYIJS-GOSISDBHSA-N 367.401 2.920 30 50 FFEA C#CCN(CC=C)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 19791009 SESOYWAFQWPQMU-UHFFFAOYSA-N 371.506 2.541 30 50 FFEA Cc1ccccc1[C@@H](C)CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 246782547 CLZDNFOGKRRRRP-DLBZAZTESA-N 363.465 2.888 30 50 FFEA C#CCCC1(CCC(=O)NCC(OCC)(OCC)c2ccccn2)N=N1 2325892612 UIPCWDXPHUHNPC-UHFFFAOYSA-N 358.442 2.779 30 50 FFEA COc1ccc(S(=O)(=O)N/N=C(\C)c2cc(Cl)ccc2O)cc1 17073400 HDKJZQXADCCAMF-LICLKQGHSA-N 354.815 2.757 30 50 FFEA CN1CCc2nc3sc(C(=O)Nc4cccc(C#N)c4)c(N)c3cc2C1 19853437 PXFSGGNWQFIKOK-UHFFFAOYSA-N 363.446 2.990 30 50 FFEA O=C(CC1=C(c2ccccc2)CCC1=O)NCc1noc([C@@H]2CCCO2)n1 299785527 UBPFVMANQCNXFP-KRWDZBQOSA-N 367.405 2.744 30 50 FFEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1ccccc1)C2 20908925 OEQDMQOSRSZTPP-GOSISDBHSA-N 364.493 2.952 30 50 FFEA N#CC(CCN1CCC(O)(CO)CC1)(c1ccccc1)c1ccccc1 67756787 HZRZMYHKHPRQAJ-UHFFFAOYSA-N 350.462 2.706 30 50 FFEA C=CCOc1ccc([C@H]2CC(=O)NCc3nc(N(C)C)sc32)cc1OC 65506791 WQGFTIPRXCKVNJ-CYBMUJFWSA-N 373.478 2.934 30 50 FFEA C=CCn1c(-c2cccc(Cl)c2)cn2cc(C(=O)N(C)C)nc2c1=O 72480559 MJNWMRIPJXCXMI-UHFFFAOYSA-N 356.813 2.704 30 50 FFEA Cn1ccnc1C(=O)[C@H]1CCCN(Cc2ccc(C#CC(C)(C)O)s2)C1 670462246 BBXOKSNRECMDGO-HNNXBMFYSA-N 371.506 2.699 30 50 FFEA N#Cc1cnc(NCc2ccc3c(c2)CC[C@@H]3NC(=O)C2(F)CC2)cn1 1875408037 MYDLKVZFTSHWNS-INIZCTEOSA-N 351.385 2.566 30 50 FFEA COc1ccc(CN[C@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)cc1C#N 886065756 SPQHMSHDDGLNGH-HOCLYGCPSA-N 355.360 2.598 30 50 FFEA C=CCN(c1ccc(C(=O)NCc2ccccc2OC)cc1)S(C)(=O)=O 4811218 XYRCCXJPOMEVJX-UHFFFAOYSA-N 374.462 2.577 30 50 FFEA Cc1nn(C)c(C)c1-c1cc(-c2cccn2-c2ncccn2)c(C#N)c(N)n1 71765634 SMLBIVUNLYPAIW-UHFFFAOYSA-N 370.420 2.801 30 50 FFEA Cn1ccc([C@@H](N/C(O)=N/[C@H]2CCCC[C@@H]2O)c2ccc(Cl)cc2)n1 330279068 QMBDMWWMBAZBRP-XIRDDKMYSA-N 362.861 2.970 30 50 FFEA CCN1CCC[C@H]1CN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 9575824 BLBMNRLNOMZQPN-HNNXBMFYSA-N 368.506 2.806 30 50 FFEA CC(C)c1ccn(C2(C(=O)O)CCN(Cc3ccccc3C#N)CC2)n1 72411538 DGKPXVPUJQWOAF-UHFFFAOYSA-N 352.438 2.954 30 50 FFEA CC1(C)OB(c2cnc(Cl)c(OCCN3CCCC3)c2)OC1(C)C 252478607 AQHOSBMBAATNJH-UHFFFAOYSA-N 352.671 2.509 30 50 FFEA C#CCCC1(CCC(=O)N[C@H](c2ccc(OC)cc2)c2nccn2C)N=N1 2325891980 SMQVLAMKKXSMAW-GOSISDBHSA-N 365.437 2.990 30 50 FFEA C=CCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(Br)o1 2996378 MAYWDASSIJUSEB-LUAWRHEFSA-N 365.183 2.708 30 50 FFEA CCn1c(CN2CCCC2)nnc1C1CCN(c2ccc(C#N)cn2)CC1 82120085 CMLQLQKTPOCLQN-UHFFFAOYSA-N 365.485 2.544 30 50 FFEA CN1CCN(C)/C(=N\c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2)C1 206425941 DCAMTBFFNOHDAW-UZYVYHOESA-N 367.409 2.754 30 50 FFEA OC[C@@H](CN1CCCCC1)/N=C(/O)c1cc(F)cc(Br)c1 330606505 KNYCAWHPDRMJCV-CQSZACIVSA-N 359.239 2.740 30 50 FFEA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](Cc3ccc(C#N)cc3)C2)C1 1875371062 NONFGLMVRQBZOX-WOJBJXKFSA-N 365.477 2.764 30 50 FFEA CN(C)Cc1cc(O[C@H]2CCN(Cc3cccc(C#N)c3F)C2)ccn1 886096501 KGRHFMLGNRCKBG-IBGZPJMESA-N 354.429 2.807 30 50 FFEA CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3F)cc2)CC1 4412732 UNPNJEVYKDHSOU-UHFFFAOYSA-N 366.396 2.618 30 50 FFEA O=C1C[C@@]2(CCN(C(=O)Nc3ccccc3C#Cc3ccccc3)C2)CN1 366028857 URSHKLWOLNYAMC-QFIPXVFZSA-N 359.429 2.830 30 50 FFEA CC(C)c1ocnc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C#N)cc1 220005871 VNMTWIUTIORFCA-HZPDHXFCSA-N 355.394 2.636 30 50 FFEA C#CCCC1(CCC(=O)N2CCC[C@@H](Cc3nnc4ccccn34)C2)N=N1 2325886056 HAALQGGRWKVFED-INIZCTEOSA-N 364.453 2.866 30 50 FFEA C=CCn1c(C)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 631982 CTHFIWWNOMWPQP-UHFFFAOYSA-N 353.447 2.734 30 50 FFEA CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(C#N)cc2)NC(=S)N1 4807539 PQWBNUJGRADPKT-GOSISDBHSA-N 362.458 2.667 30 50 FFEA C[C@H](CN1CCC(/C(O)=N/CCN2CCOCC2)CC1)c1ccccc1 22241742 URJQMSDYIBFZBX-GOSISDBHSA-N 359.514 2.791 30 50 FFEA C=CCC1(CC=C)CCCCN1C(=O)c1cn(CC(=O)N(CC)CC)nn1 12224618 POBWSZHLIZZITJ-UHFFFAOYSA-N 373.501 2.664 30 50 FFEA O=C([C@@H]1CCCN(/C(O)=N/Cc2ccn(C3CCCC3)n2)C1)N1CCCC1 330348295 IOVRNVUPVXVMFR-MRXNPFEDSA-N 373.501 2.747 30 50 FFEA COCC/N=C(/O)c1c[nH]nc1[C@H]1CCCN(Cc2cccc(C#N)c2)C1 328604448 JXSUKWIHVLYHKF-KRWDZBQOSA-N 367.453 2.612 30 50 FFEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)NCc2ccccc2)cc1 1565527278 JAIYNHNVOKNMMO-OALUTQOASA-N 351.406 2.594 30 50 FFEA Cc1c(Br)c(C)n(NC(=O)C[C@@H]2C=CCC2)c(=O)c1C#N 408515261 XTGPJPPCMXQQMO-LLVKDONJSA-N 350.216 2.526 30 50 FFEA CCOc1cccc(/C=N\N2CCN(c3ccccc3OC)CC2)c1O 15685401 POBKBJSFHMZDIQ-QNGOZBTKSA-N 355.438 2.956 30 50 FFEA N#Cc1ccsc1C(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1 328630270 PSDXHZATNIGLIP-SECBINFHSA-N 354.357 2.827 30 50 FFEA C=CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)NCc2cccs2)c1=O 12212260 WKVPFDXUASHHRW-ZDUSSCGKSA-N 373.478 2.727 30 50 FFEA C#CCCC1(CCC(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)N=N1 952882507 RUJZPFRHMIDCLQ-LJQANCHMSA-N 368.481 2.840 30 50 FFEA N=C(N/N=C/c1ccccc1)S[C@H]1CC(=O)N(c2ccccc2)C1=O 100331520 LEIVYVJGMUDIOA-SLDJAQPHSA-N 352.419 2.610 30 50 FFEA Cc1cccc(F)c1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 248473650 LAEQMZRFBVXURV-KRWDZBQOSA-N 373.453 2.533 30 50 FFEA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C#N)C1 17072708 ACHPLJCTRGJGJD-JTQLQIEISA-N 350.440 2.810 30 50 FFEA Cc1nc(C)c(C(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C#N)cc2)s1 1565512987 YGFOANHLVMPMCI-HOTGVXAUSA-N 357.435 2.598 30 50 FFEA COc1ccc2nc(N[C@@H]3C[C@@H](Cn4cccn4)C[C@H]3O)c(C#N)cc2c1 1875398831 GJZNRBXZDNWMOD-UPRAQXHNSA-N 363.421 2.563 30 50 FFEA CNc1cc(N2CCC[C@H]2CNc2nc(C)c(C#N)cc2Cl)ncn1 461790518 ZAFKBXMIVBTDIZ-ZDUSSCGKSA-N 357.849 2.828 30 50 FFEA CN1C(=O)CC[C@@H](C(=O)NCc2cc(C#N)ccc2F)[C@@H]1c1ccccc1 174425083 OHIUWJLAFDWSIB-XLIONFOSSA-N 365.408 2.923 30 50 FFEA N#Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)cc1Cl 730405847 MOJVXHLTYVEVIY-UHFFFAOYSA-N 369.229 2.913 30 50 FFEA O=C1N/C(=N\N=C\c2ccccc2F)S[C@@H]1Cc1ccccc1[N+](=O)[O-] 5005609 LNJYSCXFJAIDQB-GDXCHIGESA-N 372.381 2.898 30 50 FFEA CC(C)c1cc(N2CCN(CCO)CC2)n2c(nc3ccccc32)c1C#N 19682081 MMLFRJGOHCIJDP-UHFFFAOYSA-N 363.465 2.597 30 50 FFEA N#Cc1c[nH]c2cccc(C(=O)NCc3ccccc3CN3CC[C@@H](O)C3)c12 2325791570 QLHVDYGEIAFHAB-GOSISDBHSA-N 374.444 2.536 30 50 FFEA C=CCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 2966384 GQSGRNFPSRQJKF-UHFFFAOYSA-N 374.462 2.501 30 50 FFEA C=C[C@@H]1OCC[C@H]1/N=C(/O)c1ccc(I)c(O)c1 331296959 CXLRDIMXCGVLEV-PWSUYJOCSA-N 359.163 2.645 30 50 FFEA C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C 332091953 AKXBKMLKYCNLQI-BZUAXINKSA-N 370.501 2.783 30 50 FFEA N#Cc1cccc(-c2cn(CCN3N=C(c4ccccc4)CCC3=O)nn2)c1 91997794 HGLHDQGJXQJHPE-UHFFFAOYSA-N 370.416 2.843 30 50 FFEA O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccco1)c1ccco1 95011320 DWLBMFZWOYSOKW-MRXNPFEDSA-N 367.361 2.738 30 50 FFEA CC(C)(CNc1ccc(Br)cc1C#N)N1CCS(=O)CC1 272835147 LUJWDDXCVFJDRQ-UHFFFAOYSA-N 370.316 2.576 30 50 FFEA CCC(F)(F)C(C)(C)CNS(=O)(=O)C[C@@H](C#N)C1CCOCC1 2325776436 MNSIOZXUOBOEFF-CYBMUJFWSA-N 352.447 2.544 30 50 FFEA Cc1cc(C)n(C[C@H]2CN(C(O)=Nc3scnc3C3CC3)CCO2)n1 328939995 SFICMEFTWQPDFE-CQSZACIVSA-N 361.471 2.780 30 50 FFEA CCc1nnc(NC(=O)[C@@H](C)N2CCC(C#N)(c3ccccc3)CC2)s1 244734631 NJEAXXLTQRFOMQ-CQSZACIVSA-N 369.494 2.985 30 50 FFEA C#CCCC1(CCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)N=N1 952880219 DCKSSSAIDICOBD-UHFFFAOYSA-N 368.485 2.913 30 50 FFEA COc1ccc(CN[C@@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)cc1C#N 886065758 SPQHMSHDDGLNGH-ZBFHGGJFSA-N 355.360 2.598 30 50 FFEA CC(=O)N/C(=C\c1ccc(OC(C)=O)cc1)C(=O)Nc1ccccc1C#N 4954284 QXNLYUBVWOKROR-ODLFYWEKSA-N 363.373 2.599 30 50 FFEA N#CC1(c2ccccc2)CCN(S(=O)(=O)NCc2ccccc2)CC1 71748459 PJQSPKMCICQTSO-UHFFFAOYSA-N 355.463 2.578 30 50 FFEA O=S1(=O)CCN(/C(O)=N/CC(F)(F)c2ccccc2)[C@@H]2CCCC[C@H]21 329626255 TWIWDLGHOICXSY-HUUCEWRRSA-N 372.437 2.734 30 50 FFEA Cc1ccc(C#C[C@H](c2ccccc2OCCO)N2CCSCC2)nc1 95523186 HYTVVNXXPSRZFB-HXUWFJFHSA-N 368.502 2.903 30 50 FFEA O=C1CCC(c2ccccc2)=C1CC(=O)N1CCN(c2ccccn2)CC1 827956925 IQTTVELFAAHJMQ-UHFFFAOYSA-N 361.445 2.937 30 50 FFEA C#Cc1ccc(CN2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)cc1 12718493 ZMSMMKYYFAESKC-UHFFFAOYSA-N 365.521 2.623 30 50 FFEA CN/C(=N\c1ccccc1)S[C@H]1CC(=O)N(c2cccc(OC)c2)C1=O 100650777 ZPNSZRVISQIIGY-INIZCTEOSA-N 369.446 2.967 30 50 FFEA CC1(C)OB(c2cc3c(c(B4OC(C)(C)C(C)(C)O4)c2)CCC3)OC1(C)C 169936251 GXBZIEBGOAZWAC-UHFFFAOYSA-N 370.107 2.774 30 50 FFEA in-vitro C=CCS(=O)(=O)N[C@@H](C)c1cnc(N2CCCCCCC2)nc1C 15074454 DJRDJUGHEBVPMU-HNNXBMFYSA-N 352.504 2.722 30 50 FFEA COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2cccnc2)cc1OC 707649 YNQKNSBQNSTBBE-QGZVFWFLSA-N 354.362 2.588 30 50 FFEA N#Cc1ccc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1 71750165 QHLZYFAKGPYYSO-LJQANCHMSA-N 366.509 2.513 30 50 FFEA C#CCOC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 96308769 RVEQAPLSYFNSJW-IBGZPJMESA-N 365.385 2.628 30 50 FFEA N#Cc1c2c(c(NCCOCCO)n3c1nc1ccccc13)CCCC2 4115876 ZKGIMKUMFKMLOD-UHFFFAOYSA-N 350.422 2.659 30 50 FFEA COc1cc(/C(O)=N/[C@H](c2nc(C(C)C)no2)C2CCOCC2)on1 328612329 OJRUTCHSACWXBL-ZDUSSCGKSA-N 350.375 2.662 30 50 FFEA Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)C(=O)N1CCCC1 124625214 VMVGQKASKCOKDV-LBPRGKRZSA-N 361.467 2.986 30 50 FFEA N#Cc1ccccc1C(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95355196 APXDARIGZSUYRU-BHDDXSALSA-N 373.456 2.966 30 50 FFEA C#CCCC1(CCNC(=O)C2(Oc3ccc(F)cc3)CCOCC2)N=N1 2325891424 GAHOCBFKNZLTFD-UHFFFAOYSA-N 359.401 2.836 30 50 FFEA C#CCCC1(CCC(=O)N2CCC[C@H](C(=O)Nc3ncccc3C)C2)N=N1 2325892142 AZEVYDHATFFTEX-INIZCTEOSA-N 367.453 2.923 30 50 FFEA CCOc1ccc(/C=C/c2nc(C#N)c(NCCN3CCOCC3)o2)cc1 20639171 NMOUDSTYSSUERU-VMPITWQZSA-N 368.437 2.859 30 50 FFEA CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 252428764 ZJFAFNLKQZZYEM-CJAAANBISA-N 363.461 2.920 30 50 FFEA COC(=O)c1cc(C#N)c(I)cc1Br 263624672 SMWPFCYSGKBQKA-UHFFFAOYSA-N 365.952 2.712 30 50 FFEA C=CCOc1ccc([C@H]2CC(=O)Nc3[nH]nc(C(=O)NC)c32)cc1CC=C 65455286 UIWQIGDZRYIYGG-CQSZACIVSA-N 366.421 2.537 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)o1 65421918 RBNNDEVQCCTYNQ-ZWKOTPCHSA-N 371.408 2.532 30 50 FFEA COC(=O)[C@H](C)Sc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1C#N 221528095 SNKVVEXLGJCLFK-JTQLQIEISA-N 368.418 2.736 30 50 FFEA N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)NCc2ccccc2)cc1 1565529723 UNLULXAHBIOENX-OALUTQOASA-N 351.406 2.594 30 50 FFEA Cc1ccc(CN2CCN(/N=C\c3ccccc3OCC(=O)O)CC2)cc1 4482721 LRCNPZXHKIAXCG-HMAPJEAMSA-N 367.449 2.610 30 50 FFEA C[C@H](/C(O)=N/[C@@H]1CCCc2cn(C3CCCC3)nc21)N1CCN(C)CC1 329353411 UYHHGRIVSRTRDA-CRAIPNDOSA-N 359.518 2.968 30 50 FFEA Cc1cccc(CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c1Cl 225387010 QOSJHFCTFOXMOG-UHFFFAOYSA-N 362.838 2.709 30 50 FFEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)c2ccc(OC)c(OC)c2OC)C1 91943692 MQSXVAUQFIQKHD-LJQANCHMSA-N 363.410 2.596 30 50 FFEA C[C@@H](NC(=O)N1CCC(C#N)(c2ccccc2)CC1)C1CCN(C)CC1 534581833 GUAXKWCFSRBBNM-QGZVFWFLSA-N 354.498 2.984 30 50 FFEA C[C@H]1Oc2c(C(=O)NS(=O)(=O)Cc3ccccc3C#N)cccc2[C@H]1C 170630555 RVHZMVMTYCDVNO-QWHCGFSZSA-N 370.430 2.702 30 50 FFEA CCCn1c(N)[n+](CC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 3121702 JVYODYUKBDPEMB-UHFFFAOYSA-O 354.430 2.821 30 50 FFEA O=C(C1CCS(=O)(=O)CC1)N(CC#Cc1ccccc1)C1CCCC1 55211748 PHGRSXCOJZCRGK-UHFFFAOYSA-N 359.491 2.634 30 50 FFEA N#CC1(c2ccccc2)CCN(C(=O)C2CCN(C(=O)C3CC3)CC2)CC1 91616873 JRGQVUOIVFFSML-UHFFFAOYSA-N 365.477 2.719 30 50 FFEA OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO 100025762 XZJPYETUABEQFI-UHFFFAOYSA-N 362.110 2.783 30 50 FFEA in-vitro C=CCC(C)(C)CN1CCC2(CC1)CN(C(=O)CSC)C[C@@H]2C(=O)O 1857702895 HSNFBCIJCXPDMT-OAHLLOKOSA-N 368.543 2.577 30 50 FFEA CC(C)(O)C#Cc1ccc(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)cc1 20455299 CUJJEJIKUSSUIX-NRFANRHFSA-N 372.553 2.724 30 50 FFEA C[C@H]1CN(c2cc(N3C[C@@H](C)O[C@H](C)C3)c(C#N)cc2[N+](=O)[O-])C[C@@H](C)O1 252549628 RLHRZRZIDKWMDT-TUVASFSCSA-N 374.441 2.694 30 50 FFEA O=C1CCCCN1C1CCN(/C(O)=N/CCOC2CCCCC2)CC1 330056953 WRGKWEZQZCSQRB-UHFFFAOYSA-N 351.491 2.727 30 50 FFEA 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(O)ccc2ccccc12 239175804 QQRCACCILUTOLS-DEGRCIOYSA-N 358.397 2.932 30 50 FFEA CCN(C(=O)c1cn(CC2(C)COC2)nn1)c1ccc(C#N)c(Cl)c1 185248933 IGYFVJMZSLTFMR-UHFFFAOYSA-N 359.817 2.506 30 50 FFEA CC1(C)OB(c2cnn(Cc3ccccc3Br)c2)OC1(C)C 223846676 DSFLJQAALJOSCZ-UHFFFAOYSA-N 363.064 2.993 30 50 FFEA O=C(O)c1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1 1475920 LTZBXYVYFIHMDY-VCHYOVAHSA-N 354.391 2.726 30 50 FFEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2cccc(O)c2)cc1 6876098 JRYQRNMVBZMTNQ-WOJGMQOQSA-N 355.423 2.916 30 50 FFEA CN(C)CCN(CC1CCCCC1)S(=O)(=O)c1ccc(C#N)s1 331233340 RUALESFTOWTIPO-UHFFFAOYSA-N 355.529 2.752 30 50 FFEA C=CCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc2sccn32)cc1 4722093 ZWZKCRWHQQIILF-CYBMUJFWSA-N 353.403 2.795 30 50 FFEA COc1ccc(-n2cccn2)c(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2)c1 215002051 IHSUICBQMVPWMM-WBMJQRKESA-N 372.432 2.746 30 50 FFEA Cn1c(O)nnc1C[C@H]1CCCC[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 826786514 CSHKCPSZAZWUIA-KBAYOESNSA-N 351.454 2.771 30 50 FFEA Cc1ccc(NC(=NOCc2cccc([N+](=O)[O-])c2)c2nonc2N)cc1 712851 PMUYTEAQXNAMBD-UHFFFAOYSA-N 368.353 2.859 30 50 FFEA C/C(=N/NC(=S)NNC(=S)Nc1ccccc1F)c1ccco1 4105297 ZJIGKSVIXOGVLE-MFOYZWKCSA-N 351.432 2.508 30 50 FFEA C=CCn1c(-c2cccs2)cn2cc(C(=O)NC3CCC3)nc2c1=O 72429505 HACCVKPRSSKDHF-UHFFFAOYSA-N 354.435 2.693 30 50 FFEA CC[C@@]12OC(=N)[C@@](C#N)([C@@H]1C)C(C#N)(C#N)[C@H](c1cccc([N+](=O)[O-])c1)O2 230049861 IAGWJPOMLYEFDO-MNKNLDABSA-N 365.349 2.960 30 50 FFEA CC(C)c1nnc2n1CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2 15009194 SRQZIWPMFSJOHZ-UHFFFAOYSA-N 352.482 2.582 30 50 FFEA N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCN(C(=O)Cc3ccccc3)C1)CC2 225516850 HXJFONMMESCOMH-HXUWFJFHSA-N 373.456 2.929 30 50 FFEA COc1cc(/C(O)=N/[C@@H](c2nc(C(C)C)no2)C2CCOCC2)on1 328612320 OJRUTCHSACWXBL-CYBMUJFWSA-N 350.375 2.662 30 50 FFEA OC(=Nc1ccsc1)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328630225 PQDTXUDGCAPXLQ-HNNXBMFYSA-N 359.455 2.757 30 50 FFEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)cc1 19788485 FWHMOCAPLULCTL-GOSISDBHSA-N 366.417 2.532 30 50 FFEA CCCN(C(=O)[C@H](CC)N(C)C)C1CCN(c2nc(C)ccc2C#N)CC1 1875302258 HRAQDCIFBCFLEX-IBGZPJMESA-N 371.529 2.809 30 50 FFEA C#CCCC1(CCNC(=O)c2cc(OCCOC)c3ccccc3n2)N=N1 2325891188 WSNGSQVYXFKJFQ-UHFFFAOYSA-N 366.421 2.955 30 50 FFEA COc1cc(OC)c([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC 4488877 VJHBFNXJZAMQOI-LBPRGKRZSA-N 359.422 2.959 30 50 FFEA C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1cccc2ccccc12 1132230 XMHBDHJDXIRGDZ-UHFFFAOYSA-N 366.446 2.896 30 50 FFEA CC1(C)[C@@H](OCc2ccccc2)C[C@H]1/N=C(/O)N1CC[C@](F)(CO)C1 328703803 OKCCVZZZLFICIL-JTDSTZFVSA-N 350.434 2.691 30 50 FFEA CC(C)(C)c1ccn(C2(C(=O)O)CCN(c3cccc(C#N)n3)CC2)n1 72411533 BXQTXEUYRFICBM-UHFFFAOYSA-N 353.426 2.528 30 50 FFEA COc1ccc(OC)c([C@H]2O[C@@]3(C)OC(=N)[C@@](C#N)([C@H]3C)C2(C#N)C#N)c1 239305927 GFHRKJBJWRYYFO-TYVGYZLZSA-N 366.377 2.678 30 50 FFEA Cc1c(CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)cc(C#N)n1C 1529119504 XJFWZOXTKSYEBP-GCJKJVERSA-N 360.461 2.789 30 50 FFEA C=CCc1cc(C(=O)N2CCC3(CC2)[C@H](O)C[C@]3(C)OC)ccc1OC 91306187 SVFGVTQZWMMQFZ-QUCCMNQESA-N 359.466 2.816 30 50 FFEA CC(C)c1nccn1[C@@H](C)C(=O)NC1CCN(c2ncccc2C#N)CC1 95526679 FMMUMFKNUFCCGB-HNNXBMFYSA-N 366.469 2.619 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)NC[C@@H]2CCN(C3CCCC3)C2)c1 1506412286 BNBNEZRZKXKEBA-SFHVURJKSA-N 354.494 2.803 30 50 FFEA C#CCN(CC=C)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12074668 JDFZVEFNJTZHKI-UHFFFAOYSA-N 366.461 2.728 30 50 FFEA Cc1nc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)COc2cccnc2)cs1 328649318 UXXYTCZPAHNCBN-ZFWWWQNUSA-N 364.446 2.794 30 50 FFEA COc1ccccc1N(CCC#N)C(=O)CN1CCC[C@@]2(CCCCO2)C1 2325750097 IGLMHVJXVGFACM-NRFANRHFSA-N 371.481 2.977 30 50 FFEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1)c1ccco1 4334107 JDEZCXYYDFHWCS-QGZVFWFLSA-N 361.357 2.848 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(C(=O)[C@H](OC)c1ccccc1)CC2 92081785 OUVAEFXEBCKQSH-LJQANCHMSA-N 356.466 2.791 30 50 FFEA Cc1cc(C)c(C#N)c(N2CCC[C@H](c3nccn3CCN(C)C)C2)n1 95357981 GBWHDVPWCJYCGP-KRWDZBQOSA-N 352.486 2.712 30 50 FFEA CC(C)[C@H](NC(=O)c1ccccn1)C(=O)[C@H](C#N)c1cnc2ccccc2n1 792107510 HGPSBGXSRICUMI-KUHUBIRLSA-N 373.416 2.656 30 50 FFEA O=C(CSc1n[nH]c(NN=C2CCCC2)n1)Nc1ccc2c(c1)OCO2 20608315 SCLCYIABWLEJNG-UHFFFAOYSA-N 374.426 2.606 30 50 FFEA COC1(OC)N=C(N)[C@]2(C#N)[C@@H](c3cccc(Oc4ccccc4)c3)[C@]12C#N 1425671 XVNXFLCFBRUWDE-HOJAQTOUSA-N 374.400 2.913 30 50 FFEA Cn1cncc1[C@H]1[C@H](/N=C(/O)CC[C@H]2CCCO2)CCC(=O)N1C1CC1 329062043 NTQNHLFHRLMYQN-SPYBWZPUSA-N 360.458 2.530 30 50 FFEA N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCCc2c1cnn2CCO 364884775 GABHLAJNMLCQLJ-GFCCVEGCSA-N 351.332 2.650 30 50 FFEA CCC[C@@H](C)N1CC2(CCN(C(=O)c3ccc(C#N)nc3)CC2)OC1=O 77379719 DXDINDSVHHSJLG-CQSZACIVSA-N 356.426 2.569 30 50 FFEA COc1cc(/C=N/NC2=NC(=O)[C@@H](Cc3ccccc3)S2)ccc1O 18209038 CSBPGIJGWXMQNB-YDDPGSGASA-N 355.419 2.565 30 50 FFEA N#Cc1cc(F)ccc1CN1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 375791065 NUAKEEHVGMPPRC-ROUUACIJSA-N 361.417 2.567 30 50 FFEA N#Cc1ccc(N2C[C@@H](Cc3ccccc3)N(C(=O)C3CC3)CC2=O)cc1 82120636 AHSDVMMSEJTLNR-HXUWFJFHSA-N 359.429 2.755 30 50 FFEA O=C(C[C@@H]1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1ccccc1F 14134961 RSKNQUAMQPFUQQ-BBJIBYMTSA-N 370.409 2.776 30 50 FFEA CO[C@H]1CCN([C@H]2CCC[C@H]2N(C)C(=O)CCc2ccc(C#N)cc2)C1 886094059 PLUHWVUFMASGSR-ZCNNSNEGSA-N 355.482 2.591 30 50 FFEA O=C1C=C/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cccc(O)c21 3894632 WGMDXCRDQYXFQK-GZTJUZNOSA-N 354.278 2.777 30 50 FFEA N#CCCn1c(CC(=O)NCc2ccccc2[N+](=O)[O-])nc2ccccc21 2911271 WJXJPZBUVBNNDQ-UHFFFAOYSA-N 363.377 2.717 30 50 FFEA Cc1ccc(CN2CCN(c3nc(C)ccc3C#N)C[C@H]2CCO)cc1 106985207 WUVFZUHIBGOTEL-HXUWFJFHSA-N 350.466 2.643 30 50 FFEA Cc1ccccc1OCC(=O)N1CC(=O)N(c2ccc(C#N)cc2)C[C@H]1C 82091784 DIPDCJUSJRHRIQ-MRXNPFEDSA-N 363.417 2.509 30 50 FFEA COc1ccc(NC(=O)NC[C@@H]2Cc3ccccc3CN2C)cc1C#N 299775125 HGSJAGUBQZGTKN-SFHVURJKSA-N 350.422 2.745 30 50 FFEA Cc1ccc(NC(=O)/C(=N/NC(N)=S)[C@H](C#N)c2ccccc2)cc1C 5684153 AMXVHNALGLFVHS-WKRZDEFASA-N 365.462 2.739 30 50 FFEA CCOC(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)c2cccc(OC)c2)cc1 16134220 VGQJNEDGHFYJMG-KRWDZBQOSA-N 366.373 2.833 30 50 FFEA C#CCOc1ccc(CCN[C@H](C)c2ccc3c(c2)OCC(=O)N3)cc1 2325720052 PJSFITPMDQKMDS-OAHLLOKOSA-N 350.418 2.923 30 50 FFEA O=[N+]([O-])c1ccc(O)c(/C=N/N=C(/Nc2ccccn2)c2ccccn2)c1 4738482 PTMYTTUWVRLXEF-CIAFOILYSA-N 362.349 2.983 30 50 FFEA COCCCN1C[C@]2(CCCN(c3nc(C)ccc3C#N)C2)CCC1=O 72439879 LAFJUENCBVIBRU-FQEVSTJZSA-N 356.470 2.507 30 50 FFEA Cc1c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c2ccccc2n1C 245226721 JMKLJPSHWBKORH-RNOWTZCBSA-N 359.429 2.874 30 50 FFEA C=CCNC(=O)N(CCOC)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 12717093 TUPGBKVTHBMWHS-SFHVURJKSA-N 371.525 2.710 30 50 FFEA C#CCCC1(CCC(=O)Nc2cccc(OCCN3CCOCC3)c2)N=N1 2325892897 PAURUHVHEUYIFB-UHFFFAOYSA-N 370.453 2.692 30 50 FFEA C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ncn[nH]1 100292324 IRFHWICBZXDBBD-KCVFQHSDSA-N 370.463 2.965 30 50 FFEA Cn1cnnc1CC1CCN(Cc2cccn2-c2ccc(C#N)cc2)CC1 55198317 SSHAANXBGFMTGP-UHFFFAOYSA-N 360.465 2.932 30 50 FFEA COc1ccc(CN2CCN(c3ccc(C#N)cc3)C(=O)C2)c(F)c1F 82127375 VKPIDSVDXZRHOU-UHFFFAOYSA-N 357.360 2.694 30 50 FFEA COc1cccc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)c1O 17073585 ZVMUWRDJPOIOAI-UNOMPAQXSA-N 356.403 2.866 30 50 FFEA COc1cccc(CN2CCN(CC#Cc3ccccc3)C[C@@H]2CCO)c1 96902022 UWPXKPVLKYGNGE-QFIPXVFZSA-N 364.489 2.616 30 50 FFEA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)Nc2ccc(C#N)nc2)n1 96165677 GOTMTZHVWCOJMP-JTQLQIEISA-N 366.347 2.935 30 50 FFEA C=C(C)CNc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 15066817 CTVAOFUXMAJLNF-UHFFFAOYSA-N 356.470 2.544 30 50 FFEA C#CCCC1(CCC(=O)NC[C@H]2[C@H](c3ccccc3)[C@H]2C(=O)OC)N=N1 2325893497 RVNSVRXLBIENJI-SZMVWBNQSA-N 353.422 2.661 30 50 FFEA COc1cc(-c2c(C#N)c(N)nc3c2CN(C(C)C)CC3)cc2c1OCO2 72167938 UJNAOGJFCNEFQP-UHFFFAOYSA-N 366.421 2.706 30 50 FFEA Cc1ncsc1CCC(=O)N1CCN(Cc2ccccc2C#N)CC1 82166650 WJWXMJUCDYBZND-UHFFFAOYSA-N 354.479 2.600 30 50 FFEA COC(=O)[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(C#N)cc1)c1ccc(F)cc1F 1875254037 OTIJVICKRPSIES-XYJFISCASA-N 370.355 2.970 30 50 FFEA C[C@@H]1CC(C)(C)[C@@H](CNC(=O)C2(C#N)CCC2)[C@@H]1NC(=O)C1(C#N)CCC1 135332817 VEOOTKVWHSIFGH-OWCLPIDISA-N 370.497 2.657 30 50 FFEA COc1ccc(NC(=O)NC2CCN(Cc3cccnc3)CC2)cc1C#N 426563548 ZUEBUULPOWVAIM-UHFFFAOYSA-N 365.437 2.748 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1n[nH]c3ccc(C)cc13)CC2 91769358 PQNNOQQDLAVXPW-UHFFFAOYSA-N 366.465 2.902 30 50 FFEA C=CCCC(=O)N[C@H]1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21 15079784 KJRXVIJWZHAWNY-INIZCTEOSA-N 358.486 2.534 30 50 FFEA C=CCN(CC=C)Cc1cnc(S(=O)(=O)CC(C)(C)C)n1CCOC 19883084 YGFXELYJVQEWLY-UHFFFAOYSA-N 369.531 2.523 30 50 FFEA CN1CCN(C)/C(=N/c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2)C1 169303304 DCAMTBFFNOHDAW-DYTRJAOYSA-N 367.409 2.754 30 50 FFEA in-vitro N#C[C@@H]1C[C@@H](O)[C@H](NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)C1 1875297823 FBGPQFMBTAZYDI-ZWKOPEQDSA-N 365.311 2.753 30 50 FFEA C#CCCC1(CCC(=O)Nc2n[nH]c(-c3cccc(N(C)C)c3)n2)N=N1 1875387783 XAKVDFNLXRHEIK-UHFFFAOYSA-N 351.414 2.832 30 50 FFEA Cc1nnc(NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c(C#N)c1C 328629160 ONHJOXNKHFXMDZ-NSHDSACASA-N 350.348 2.855 30 50 FFEA C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)cc1 366185522 CQEHXQAFZCQDJF-PXNSSMCTSA-N 353.422 2.879 30 50 FFEA CCCN1CCC[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 426719847 KJKVPCJCHKELQQ-GOSISDBHSA-N 369.513 2.512 30 50 FFEA N#Cc1cnn2cc(-c3cccc(C(=O)N4CCC5(CCO5)CC4)c3)cnc12 534590943 RFHFQXDZLXDIQX-UHFFFAOYSA-N 373.416 2.663 30 50 FFEA N#Cc1ccc(S(=O)(=O)Nc2cncc(Cl)n2)cc1C(F)(F)F 170609091 GMEKEMPYBWSVOT-UHFFFAOYSA-N 362.720 2.821 30 50 FFEA N#Cc1ccc(F)cc1CN1CCCN(Cc2noc(C3CC3)n2)CC1 160035570 XGESHSVCBPKDBX-UHFFFAOYSA-N 355.417 2.666 30 50 FFEA C#CCCC1(CCNC(=O)C[C@@H]2Oc3ccc(Cl)cc3NC2=O)N=N1 2325893838 ILYFNOZAVVWFPS-AWEZNQCLSA-N 360.801 2.511 30 50 FFEA C=CCN1C(=O)[C@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 1161742 JXPVSVSHBMGRAE-IBGZPJMESA-N 352.346 2.588 30 50 FFEA COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2nccs2)c(OC)c1 1219443 YPJJOPVPEPWNBW-CQSZACIVSA-N 360.391 2.649 30 50 FFEA C=CCn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccccc1 3485333 JBGGSCIGZQKMET-OAHLLOKOSA-N 358.467 2.518 30 50 FFEA C#CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101021169 BMHHPDWORMWWTC-VIOQCSKWSA-N 370.408 2.993 30 50 FFEA C=CCc1cc(CN2CCN(C)C3(CCN(C)CC3)C2)cc(OCC)c1O 67982556 TVZGLEOWEKWXOC-UHFFFAOYSA-N 373.541 2.731 30 50 FFEA Cc1cccc(CN2CCN(C(=O)Nc3ccc(C#N)nc3)[C@@H](C)C2=O)c1 299785322 XYNHRDNHUAIRHV-HNNXBMFYSA-N 363.421 2.527 30 50 FFEA C[C@H](/N=C(/O)N1CCCC[C@H]1c1nnc2n1CCCC2)C1=CCN(C)CC1 329712380 PYUGEBZLDLALPF-RDJZCZTQSA-N 372.517 2.706 30 50 FFEA CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@@H](c2cc[nH]c(=N)n2)C1 331678064 YDKNPPUVKCWTJE-CQSZACIVSA-N 367.457 2.729 30 50 FFEA C/C(=N\NS(=O)(=O)c1ccc2ccccc2c1)c1c(O)cc(C)oc1=O 17076201 JPKSWBRMEXNNBA-XDHOZWIPSA-N 372.402 2.510 30 50 FFEA Cc1[nH]c(C#N)cc1C(=O)N1C[C@@H]2CCC[C@@]2(c2nnc(C3CC3)o2)C1 1857529456 VAUAQBDETONPIY-ORAYPTAESA-N 351.410 2.649 30 50 FFEA C=CC(=O)Nc1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)cc1 366185524 CQEHXQAFZCQDJF-YLJYHZDGSA-N 353.422 2.879 30 50 FFEA N#Cc1cc(C(=O)O)c(I)cc1Br 263623424 HJIKDVOOZDVORW-UHFFFAOYSA-N 351.925 2.624 30 50 FFEA COc1ccc(-c2noc([C@@H](C)NC(=O)N3CCC(C#N)CC3)n2)cc1 534592615 CSLKULZVEYMXAB-GFCCVEGCSA-N 355.398 2.751 30 50 FFEA C/C(=N\O)[C@]1(C)N(O)C(C)(C)C(c2ccc(Br)cc2)=[N+]1[O-] 13147359 ZRJYUWUPXPVMMA-FSEGOYHTSA-N 356.220 2.798 30 50 FFEA COc1ccccc1OCc1nc(C#N)c(NCCCn2ccnc2)o1 2200554 BBKDULOQLKMBKP-UHFFFAOYSA-N 353.382 2.833 30 50 FFEA C=CCN(CC=C)Cc1ccc(OC[C@H](O)CN(C)C(C)C)c(OC)c1 12718882 MFADZKBPIPDQPH-LJQANCHMSA-N 362.514 2.949 30 50 FFEA COc1cc(/C=N/N2CCN(Cc3ccccc3)CC2)cc(OC)c1O 19809385 VXTCLMIBILHGHD-KGENOOAVSA-N 355.438 2.561 30 50 FFEA N#Cc1cnn2c(=O)nc(SCc3cc(F)cc(C(F)(F)F)c3)[nH]c12 2325863495 LRIGLECMEKIQQO-UHFFFAOYSA-N 369.303 2.739 30 50 FFEA O=C1C=CC(=NOC(=O)c2cccc([N+](=O)[O-])c2Br)C=C1 1184532 ILVLHUADGOVANK-UHFFFAOYSA-N 351.112 2.565 30 50 FFEA CCCC(=O)N1CCC[C@H]1/C(O)=N/[C@@H](C)C(=O)N1Cc2ccccc2C1 330092926 RCZGMRSDXLATNA-YOEHRIQHSA-N 357.454 2.665 30 50 FFEA Cc1ccc(S(=O)(=O)O[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1 216708171 ZXYMQPDMDCNQEI-ZDUSSCGKSA-N 355.456 2.956 30 50 FFEA N#Cc1ccc(N2CCC[C@H](NCc3cccc(C(N)=O)c3)C2)c(F)c1 109351995 PPMSZHSOWFBKKW-KRWDZBQOSA-N 352.413 2.555 30 50 FFEA O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccc1F)c1ccccc1 13081135 GKOUMPYFUMCMLQ-QGZVFWFLSA-N 355.365 2.786 30 50 FFEA N#Cc1ccc(CN2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)cc1 1857735384 BGYGZWMZBYRDPE-VWPQPMDRSA-N 359.429 2.833 30 50 FFEA CN1C(=O)C[C@@H](CN=c2c(C#N)c[nH]c3ccccc23)[C@@H]1c1ccncc1 886048333 KCJURFXQBDEIME-BTYIYWSLSA-N 357.417 2.555 30 50 FFEA C#CCCC1(CCNC(=O)C2(OCc3ccccc3)CCOCC2)N=N1 2325891143 STFHJTJFZJODHB-UHFFFAOYSA-N 355.438 2.834 30 50 FFEA O/C(=N/[C@@H]1CCc2c[nH]nc2C1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 329857816 ZPJVBJLAUPYMCW-HUUCEWRRSA-N 359.861 2.703 30 50 FFEA O/C(=N/Cc1ccc(-n2cncn2)nc1)[C@@H]1C[C@]12CCOc1ccccc12 328602579 CEDCPADQUVOPBE-JXFKEZNVSA-N 361.405 2.859 30 50 FFEA O/C(=N/CC[C@@H]1CCCO1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 328631436 QXNZEVJHJCQTRA-IRXDYDNUSA-N 374.485 2.618 30 50 FFEA N#C[C@H]1CCCN(C(=O)NCC2CCN(CCc3ccccc3)CC2)C1 426746121 PPUPKKHALCADLL-HXUWFJFHSA-N 354.498 2.886 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)o1 55090260 HTWLSZSZHUMPQN-GOSISDBHSA-N 368.433 2.618 30 50 FFEA CC(C)(C)OC(=O)Nc1ncc([N+](=O)[O-])cc1B1OC(C)(C)C(C)(C)O1 169969074 JVFYGBNUVHDLDJ-UHFFFAOYSA-N 365.195 2.636 30 50 FFEA C=CCOc1ccc(I)cc1CNC(C)(C)CO 4866145 UQPGHJNXHOOQEE-UHFFFAOYSA-N 361.223 2.717 30 50 FFEA N#Cc1c(F)cccc1S(=O)(=O)NC(=O)c1ccccc1OC1CCC1 160102530 WODRSYBKRCQPKR-UHFFFAOYSA-N 374.393 2.747 30 50 FFEA COC(=O)c1cc(Br)c(I)c(C#N)c1 263624025 MTPREVPUMJMNAP-UHFFFAOYSA-N 365.952 2.712 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)o1 1506417028 JYEXDYAPBVBKHV-OAHLLOKOSA-N 366.417 2.532 30 50 FFEA C[C@]12CC[C@@H]3c4ccc(O)cc4/C(=N\OCC(=O)O)C[C@H]3[C@@H]1CC[C@@H]2O 4521754 AWARIMYXKAIIGO-UYGYUSPXSA-N 359.422 2.872 30 50 FFEA in-vitro C#CCCC1(CCC(=O)NCc2nnc3n2CCC[C@@H]3C(F)(F)F)N=N1 952879962 IGXHIVGPRDLWNA-NSHDSACASA-N 368.363 2.690 30 50 FFEA CC(C)(C)[C@H](CNC(=O)[C@]1(C#N)CCCOC1)NC(=O)CCCC1CC1 1875332917 QTCVOEJUDFCKFL-JXFKEZNVSA-N 363.502 2.534 30 50 FFEA Cc1ccc([C@H](C(=O)N2CCN(c3ccccc3C#N)CC2)N(C)C)cc1 95388434 NJJXLDNHTUFVDN-OAQYLSRUSA-N 362.477 2.818 30 50 FFEA CCc1oc(C(=O)N2CCCn3nc(C#N)cc3C2)cc1CN(CC)CC 55369017 DZGZXLQAQGVTMR-UHFFFAOYSA-N 369.469 2.798 30 50 FFEA C=CCn1c2ccccc2c2nnc(SCCN3CCOCC3)nc21 19732193 ROSAAEOWJQTXEA-UHFFFAOYSA-N 355.467 2.590 30 50 FFEA COc1cccc(CN2CCN(CC#Cc3ccccc3)C[C@H]2CCO)c1 104528822 UWPXKPVLKYGNGE-JOCHJYFZSA-N 364.489 2.616 30 50 FFEA C=CCNC(=O)N1CCCn2nc(-c3nc4ccccc4n3C)cc2C1 65435069 ZGLVEEAZISGFHR-UHFFFAOYSA-N 350.426 2.538 30 50 FFEA CNC(=O)c1ccc([C@@H]2CCCCN2C/C(O)=N/[C@@](C)(C#N)C2CC2)n1C 328629919 ITYCMXAHYDQFOY-JXFKEZNVSA-N 371.485 2.560 30 50 FFEA Cc1n[nH]cc1C/N=C(/O)N1CCC[C@H](Nc2ccc(N(C)C)nc2)CC1 328637799 OVLUWSLYVMSPRQ-INIZCTEOSA-N 371.489 2.560 30 50 FFEA Cc1c(C#N)c2ccccc2n1CC(=O)N1CCC[C@H](c2nccn2C)C1 82133918 VTIHCCCMTFPMCF-INIZCTEOSA-N 361.449 2.961 30 50 FFEA CN(C)Cc1cc(O[C@H]2CCN(c3ccc(Cl)c(C#N)n3)C2)ccn1 886027994 MEOFHAVGBCGNSE-HNNXBMFYSA-N 357.845 2.721 30 50 FFEA CC(C)(C#Cc1ccccc1)NC(=O)CCc1ccc2c(c1)NC(=O)CO2 2325781504 XUFNQLXETBOCNW-UHFFFAOYSA-N 362.429 2.897 30 50 FFEA N#Cc1cccc(N2CCC(CNC(=O)Cn3ccc4ccccc43)CC2)n1 826791876 CHTFZMOVDQRHPV-UHFFFAOYSA-N 373.460 2.941 30 50 FFEA C=CCOc1ccc(/C=c2\sc3nc(-c4cccs4)nn3c2=O)cc1 13801967 MQSBLVWSIXNAGJ-PTNGSMBKSA-N 367.455 2.992 30 50 FFEA CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)/N=C1/NCCS1 4008559 BJVRTNTVXIZAOI-ZBUUCQELSA-N 363.527 2.563 30 50 FFEA C[C@@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)[C@H](c2ccccc2)CO1 164039087 XELSUKBSZUSLBA-KUHUBIRLSA-N 374.437 2.989 30 50 FFEA N#Cc1cc(=NS(=O)(=O)c2cccc(Cl)c2Br)cc[nH]1 1875317382 XTTXYEVUIQOECX-UHFFFAOYSA-N 372.631 2.592 30 50 FFEA C#CCCC1(CCC(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)N=N1 2325894942 ZPYVYVJYFVEHKE-UHFFFAOYSA-N 367.409 2.816 30 50 FFEA C=CCn1c(N)cc(=O)nc1S[C@H](C)C(=O)Nc1ccc(Cl)cc1 798409 HVTUSXVJMHXHAF-SNVBAGLBSA-N 364.858 2.784 30 50 FFEA Cc1cc(C)cc(N(CCC#N)C(=O)CN2C(=O)N[C@H](C(C)(C)C)C2=O)c1 241774157 RNNFWPILEMJBET-KRWDZBQOSA-N 370.453 2.517 30 50 FFEA O=C(C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 954190428 YFDFROSCOORKAJ-UHFFFAOYSA-N 359.254 2.692 30 50 FFEA C=CCNCc1ccc(OC[C@H](O)CN(C)C2CCCCC2)c(OC)c1 12090395 WYMRBIBPXAHLLP-LJQANCHMSA-N 362.514 2.975 30 50 FFEA N#CC1CC2(C1)CC(C(=O)NCC(=O)N1CCCCc3ccccc31)C2 2325764079 WKDIEELVZAWPLB-UHFFFAOYSA-N 351.450 2.802 30 50 FFEA Cc1c([C@H]2CC2(C)C)nc(N)c(C#N)c1-c1cccc(OCC(N)=O)c1 71415846 KNKAUNUJFXWLSB-OAHLLOKOSA-N 350.422 2.889 30 50 FFEA N#Cc1ccsc1C(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328630271 PSDXHZATNIGLIP-VIFPVBQESA-N 354.357 2.827 30 50 FFEA C#CCCC1(CCC(=O)NC[C@H]2CC(=O)N(CCc3ccccc3)C2)N=N1 2325892507 PNWURHJCHYLOHF-GOSISDBHSA-N 366.465 2.550 30 50 FFEA C/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2C)S1)c1ccco1 4980157 SGFNMJFWGNMZSQ-NGZBARDMSA-N 370.434 2.928 30 50 FFEA COC(=O)c1n[nH]cc1-c1c(C)c([C@@H]2CCOC(C)(C)C2)nc(N)c1C#N 67840301 VOCKWEZTFPEXDU-LLVKDONJSA-N 369.425 2.693 30 50 FFEA CN(C)c1ccc(N[C@H]2CCCN(/C(O)=N/Cc3cscn3)CC2)cn1 328630777 JUAPMYHCIWPWKO-AWEZNQCLSA-N 374.514 2.985 30 50 FFEA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1ccc(C#N)nc1)CC2 1857672001 CJJMMAOZROLUFY-UHFFFAOYSA-N 357.417 2.595 30 50 FFEA C#CCCC1(CCC(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)N=N1 2325892536 RCEGZYOFRRHCCN-FXAWDEMLSA-N 369.465 2.911 30 50 FFEA Cn1cc([C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2CO)cn1 375936074 YXVPHZVPLLMJRX-ZFWWWQNUSA-N 350.344 2.523 30 50 FFEA C=CCn1c(SCc2[nH]cc(C)c(=O)c2C)nnc1C1CCNCC1 426536222 CMLFWNBGVSEYDW-UHFFFAOYSA-N 359.499 2.529 30 50 FFEA N#Cc1cccc(CN2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)c1 2356148566 GAKZPNYZUNHNBK-ONTIZHBOSA-N 367.493 2.819 30 50 FFEA C=CCC[C@H](CN(C)Cc1cccnc1)Oc1cc(C(=O)NC)ccn1 67841346 KTIGNAYUWTUWQV-GOSISDBHSA-N 354.454 2.682 30 50 FFEA N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC2CSCCSC2)cc1 222400429 TXGLIDILKOOFCF-IAGOWNOFSA-N 350.509 2.533 30 50 FFEA COc1nccc(N2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)c1C#N 91535125 XSFNVAQJEKVLBB-HXUWFJFHSA-N 354.454 2.581 30 50 FFEA CCCCCCCCCCCCn1c(NN)nc2c1c(=O)[nH]c(=O)n2C 97976969 OGXXWKQZYHDSBA-UHFFFAOYSA-N 364.494 2.630 30 50 FFEA CCN1CCN(C(=O)CC2CCN([C@H](C)c3cccc(C#N)c3)CC2)CC1 187678825 RKBJKINUXFDCGZ-GOSISDBHSA-N 368.525 2.885 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2)c1 1506417767 BMXLQTYHCZMPEB-SFHVURJKSA-N 351.402 2.755 30 50 FFEA C#CCN1C(=O)S/C(=C/c2cc(Br)c(O)c(OC)c2)C1=O 1147139 KTOKWBXTZQXDSB-YRNVUSSQSA-N 368.208 2.833 30 50 FFEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccc1F 19808031 SVRHGSYHHZAPCX-MRXNPFEDSA-N 358.369 2.559 30 50 FFEA C=CCN(c1ccc(C(=O)NCc2ccccc2C)cc1)S(C)(=O)=O 2877134 DLUKJGIDIDCYGP-UHFFFAOYSA-N 358.463 2.877 30 50 FFEA C[C@@H]1CCCC[C@@H]1/N=C(/O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328645952 ZVVVFJISXSNHSS-SOLBZPMBSA-N 373.501 2.943 30 50 FFEA COc1ccnc(N2CCC[C@H](COc3ccc(C#N)cc3OC)C2)n1 1875249818 CUNRJQGVDYELGG-HNNXBMFYSA-N 354.410 2.661 30 50 FFEA CCn1cc(Br)c(=O)c(N=C(O)Cc2c(C)nn(C)c2C)c1 329670955 NBIYTUMYRCDHGO-UHFFFAOYSA-N 367.247 2.812 30 50 FFEA C#CCCC1(CCC(=O)NCc2ccc(CN3CCN(C)C3=O)cc2)N=N1 2325886734 HEQJTZCHQUEMOZ-UHFFFAOYSA-N 367.453 2.526 30 50 FFEA Cn1c(NN=C(O)c2cccc(N3CCOC3=O)c2)nc2ccccc21 328591965 INSGBWAQYIEERI-UHFFFAOYSA-N 351.366 2.862 30 50 FFEA CCCCCCCCc1cccc(NC(=O)[C@H](N)COP(=O)(O)O)c1 38152247 MRUSUGVVWGNKFE-MRXNPFEDSA-N 372.402 2.965 30 50 FFEA in-vitro N#Cc1cccnc1N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 96138325 MBPHEHIKPSJTSI-UHFFFAOYSA-N 374.452 2.508 30 50 FFEA Cn1ccc(N2CCC[C@@H](O/N=C/c3ccccc3C(F)(F)F)C2=O)n1 170642544 IHYUFMSHDNTTAB-VPNURPJOSA-N 366.343 2.985 30 50 FFEA Cc1ccc(OCCOCCOc2ccc(/C=N/n3cnnc3)cc2)cc1 2884069 NMRVHRBDMPRDNP-OEAKJJBVSA-N 366.421 2.943 30 50 FFEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccnc1)c1ccco1 4333136 KFPITHDNEVQILL-KRWDZBQOSA-N 361.357 2.848 30 50 FFEA COc1ccc(/C(N)=N/OC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC 4986286 HKHZJGRKRDOBCJ-LLVKDONJSA-N 373.365 2.579 30 50 FFEA COC[C@H]1CCCN1Cc1cccc(C(=O)Nc2ccc(C#N)nc2)c1 67434038 RKKVFPMYSGJTSF-LJQANCHMSA-N 350.422 2.816 30 50 FFEA C=CCN(Cc1ccccn1)C(=O)c1ccc(N2CCN(C)CC2)cc1 65491957 DZHSIJQGEHMJQN-UHFFFAOYSA-N 350.466 2.662 30 50 FFEA C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N(C)C)nc2c1=O 72428769 KBXBMZMJKGPWAV-UHFFFAOYSA-N 356.813 2.704 30 50 FFEA C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccnc(C#N)c2)CC1 193158850 VIQKCUYQGIWSKV-CYBMUJFWSA-N 356.376 2.750 30 50 FFEA CO[C@H]1CN(c2nc3c(cc2C#N)CCCC3)C[C@H]1Cc1cc(C)no1 1704298861 OCEGQKQQGJMYRA-APWZRJJASA-N 352.438 2.822 30 50 FFEA CN=C(NCCc1ccc2c[nH]nc2c1)NCCc1c[nH]c2ccccc12 1875334345 KNAIESAXVJHFNK-UHFFFAOYSA-N 360.465 2.994 30 50 FFEA Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1432527 QKPMKHQUVCRJOC-VIFPVBQESA-N 359.411 2.796 30 50 FFEA N#Cc1ccnc(S(=O)(=O)N2CCC[C@H]2Cc2cccc(F)c2F)c1 2325782525 DMJDJDIUSMEMEA-AWEZNQCLSA-N 363.389 2.627 30 50 FFEA COc1ccc(/C=C/C(=O)C2=C(NCCO)CC(C)(C)CC2=O)cc1OC 100319696 GMFHDMNHZNLNBD-FNORWQNLSA-N 373.449 2.511 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@H](OCc3cccnc3)C2)o1 215094828 PYIZUKFDWWWVKM-SFHVURJKSA-N 368.433 2.618 30 50 FFEA CCOC(=O)[C@@H]1CCCN(CC/C(O)=N/c2cc(OC)ccc2OC)C1 82117427 KKCXLTDHQXIDPD-CQSZACIVSA-N 364.442 2.957 30 50 FFEA C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)NC1=S 977613 LBZIHPYGVDXNMB-ATVHPVEESA-N 365.458 2.907 30 50 FFEA CS(=O)(=O)[C@H]1CCN(/C(O)=N/Cc2cc(Cl)sc2Cl)C1 330372979 KTTSBHZADYYDAQ-QMMMGPOBSA-N 357.284 2.588 30 50 FFEA N#Cc1cncc(N[C@H]2CCc3cn(CCCC(F)(F)F)nc3C2)n1 1875294679 MVLDGRJHVYTTLL-LBPRGKRZSA-N 350.348 2.857 30 50 FFEA C[C@@]12CCCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)[C@@H]1COC2 2325791361 RUAICGNJAWGYQK-CTNGQTDRSA-N 371.456 2.941 30 50 FFEA Cn1c(N2CCN(CCc3cccs3)CC2)nc2cccc(C#N)c21 2325856387 NLLBDGQHZOZUEA-UHFFFAOYSA-N 351.479 2.871 30 50 FFEA C=CCN1CCN(C(=O)[C@H](C)Oc2ccccc2Br)CC1 20311824 KQKJOKSCRVFCSX-ZDUSSCGKSA-N 353.260 2.547 30 50 FFEA C=CCn1ncc(CN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1C 820505361 RCUJJXCWHFELQS-LJQANCHMSA-N 359.495 2.567 30 50 FFEA Cc1nnc(N2CCC[C@@H](N(C)Cc3ccccn3)CC2)c(C#N)c1C 275727703 OVLHNETWIZQFKS-GOSISDBHSA-N 350.470 2.851 30 50 FFEA C=CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(CCc2ccc(OC)cc2)C1 12075531 FQXOJDRTBCEWRL-GOSISDBHSA-N 356.466 2.677 30 50 FFEA Cc1ccc(/C=N/N=C2/NC(=O)[C@H](CC(=O)Nc3ccccc3C)S2)o1 6973912 GTSBQWPISLNAQS-RPJLVFAOSA-N 370.434 2.847 30 50 FFEA CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2ncc(C#N)cc2Cl)cn1 888095036 LIUBWGDYCKNFKC-LSDHHAIUSA-N 359.817 2.553 30 50 FFEA CCCN(CCC)c1nc(N/N=C/c2ccccc2[N+](=O)[O-])nc(OC)n1 4686971 ACJDNDZBITYUFL-LDADJPATSA-N 373.417 2.861 30 50 FFEA C[C@H](CC#N)OC(=O)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1 113689463 URVFSRUQDOXBNO-LLVKDONJSA-N 369.402 2.785 30 50 FFEA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1/C(O)=N/CC(C)(C)N1CCOCC1 328605082 MHKAZFRZQAIPTB-DYESRHJHSA-N 374.481 2.803 30 50 FFEA Cc1ccc(/C=N/N=C(c2ccccc2)C23CN4CN(CN(C4)C2)C3)cc1 252320786 RKRMKZBLJMARSZ-PISKPWOZSA-N 359.477 2.624 30 50 FFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)cc1OC 682747 DYUSMYFZDXTHIS-MRXNPFEDSA-N 373.405 2.558 30 50 FFEA COc1ccc(/C=N/N2CCN(c3ccccc3OC)CC2)c(OC)c1 946044 CWWBKAXSKQBNJA-RCCKNPSSSA-N 355.438 2.869 30 50 FFEA C#CCCC1(CCNC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(F)cc2)N=N1 2325891116 RIMYYRNGPIPASP-INIZCTEOSA-N 371.416 2.904 30 50 FFEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 55325655 FEVJKYFRDBVOKQ-HOTGVXAUSA-N 365.433 2.898 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)NCC[C@H]2COc3ccccc3O2)c1 65398319 OAPKWDVHGIMOLA-SFHVURJKSA-N 365.429 2.769 30 50 FFEA C=CCNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C 2792454 QVPAJIZRBVYTAX-UHFFFAOYSA-N 367.272 2.639 30 50 FFEA CCC(C)(C)c1cc(-c2ccc(OCC(N)=O)c(OC)c2)c(C#N)c(N)n1 71761367 ISRGRSGSLOKEPP-UHFFFAOYSA-N 368.437 2.763 30 50 FFEA Cc1ccc(S(=O)(=O)O[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1 216708129 ZXYMQPDMDCNQEI-CYBMUJFWSA-N 355.456 2.956 30 50 FFEA C#CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 241590538 PFSLGUCLDZOBSE-VQIMIIECSA-N 359.901 2.770 30 50 FFEA C=CCCC(=O)N1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc3c(c2)OCO3)C1 14955585 ZQGWZIZQGAHMPD-SJORKVTESA-N 370.449 2.721 30 50 FFEA N#Cc1ccc(N2CCN(C(=O)c3cc(-c4ccc(O)cc4)n[nH]3)CC2)cc1 91468661 LJKDLZSZUBJPJS-UHFFFAOYSA-N 373.416 2.616 30 50 FFEA CCN(CC)c1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 252428765 ZJFAFNLKQZZYEM-OAOQQJSSSA-N 363.461 2.920 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)NCC2(O)C3CC4CC(C3)CC2C4)cc1 952974594 QFCUEXTVOVGCFK-UHFFFAOYSA-N 367.489 2.726 30 50 FFEA CC1CC(C#N)(C(=O)N2CC[C@](c3nc(C4CC4)no3)(C(F)(F)F)C2)C1 952893335 IQSNSVBKQNSTMK-XTQHVIMUSA-N 368.359 2.919 30 50 FFEA C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)cc2OC)c2ccccc21 783758 VSXABBUDUVBLBN-NRFANRHFSA-N 367.401 2.697 30 50 FFEA COc1ccc([C@@]2(C#N)C[C@H]3NCCN=C3CN2Cc2ccccc2)cc1 22035406 GMTZLFQZPBBABA-IRLDBZIGSA-N 360.461 2.733 30 50 FFEA CC(C)Oc1cc(Br)cc(C(=O)N2CCOC[C@@H]2C#N)c1 175893326 KKASOPFVCAIFIW-ZDUSSCGKSA-N 353.216 2.601 30 50 FFEA N#Cc1ccc(N2CCN(Cc3cncn3Cc3ccccc3)CC2)nc1 244795196 RBHIJANWMPLBDK-UHFFFAOYSA-N 358.449 2.520 30 50 FFEA CN(C)C[C@@H]1OCCN(C(=O)c2cc(F)cc(C#N)c2)[C@H]1c1ccccc1 1857716505 BHBGIXMBLSLWQS-PMACEKPBSA-N 367.424 2.841 30 50 FFEA C#CCCC1(CCC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)N=N1 952879193 BGEOQXVOYXDTRX-UHFFFAOYSA-N 364.331 2.720 30 50 FFEA C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCC1(C)C 2325828647 NMAQKAZUXIUCCT-DOTOQJQBSA-N 355.486 3.000 30 50 FFEA C#CCOc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1 6715884 CAUBYYFQZCWPDP-UHFFFAOYSA-N 350.418 2.670 30 50 FFEA CC[C@H](C)[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)N(C)C 225518856 ATFAODSXENQFAX-GTNSWQLSSA-N 355.398 2.929 30 50 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C[C@@H]1Oc2c(C(=O)NS(=O)(=O)Cc3ccccc3C#N)cccc2[C@H]1C 170630559 RVHZMVMTYCDVNO-STQMWFEESA-N 370.430 2.702 30 50 FFEA C[C@@H](/N=C(/S)NCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2 13497612 KMFOWMZNQZGALG-DGTBMVLOSA-N 351.560 2.799 30 50 FFEA C=C(Cl)CCC(=O)N1CCN(C(=O)c2ccc(COC)cc2)CC1 2325867066 JNBOKGSXZNSTOS-UHFFFAOYSA-N 350.846 2.650 30 50 FFEA C#CCCC1(CCC(=O)N2CCc3cc(F)cc(C(=O)OC)c3C2)N=N1 2325893883 SZIUGMIFPGNIDV-UHFFFAOYSA-N 357.385 2.853 30 50 FFEA C=CCC[C@H](CN(C)C1CCN(C)CC1)Oc1ccnc(OC)c1C#N 67974223 KJZJRRICLVSRDP-QGZVFWFLSA-N 358.486 2.701 30 50 FFEA C=CCn1c(-c2cccs2)cn2cc(C(=O)N3CCCC3)nc2c1=O 72418012 CCBGZENFVRJFBX-UHFFFAOYSA-N 354.435 2.647 30 50 FFEA CN(Cc1cc(-c2cccnc2)no1)C(=O)c1ccc(C#CC(C)(C)O)o1 220154127 OSMAQTGEFMKJPG-UHFFFAOYSA-N 365.389 2.724 30 50 FFEA C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCC1(C)C 2325828649 NMAQKAZUXIUCCT-RDJZCZTQSA-N 355.486 3.000 30 50 FFEA CN(C)c1ccc(N[C@@H]2CCCN(/C(O)=N/C[C@H]3CCCO3)CC2)cn1 328647160 TULVQEMYQLCMJQ-NVXWUHKLSA-N 361.490 2.507 30 50 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2.891 30 50 FFEA N#Cc1ccc(CN2CC[C@H]3[C@@H]2CC(=O)N3CCCc2ccccn2)cc1 1857694396 AHOMDGMNWQCAND-SFTDATJTSA-N 360.461 2.761 30 50 FFEA C=CCc1cc([C@H]2CC(=O)NCc3nc(N(C)C)sc32)cc(OC)c1O 65396679 XEPPWZMFPCDOFQ-CYBMUJFWSA-N 373.478 2.804 30 50 FFEA CCO[C@@H]1C[C@H](N/C(O)=N/[C@@H]2CCC(O)=N[C@H]2C(C)(C)C)[C@@]12CCCO2 329251744 YFENSCLPTIMXTI-PLYMZZPJSA-N 367.490 2.750 30 50 FFEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 367095775 ZFBBEVAAZIOSOA-UHOSZYNNSA-N 366.502 2.727 30 50 FFEA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@H]1C(O)=Nc1nccs1 329389292 QXKVYYGEAGTNAL-MJBXVCDLSA-N 367.471 2.696 30 50 FFEA C=C(C)CN(CC)C(=O)[C@@H]1CCC(=O)N(CCc2ccc(OC)cc2)C1 12612651 VJXIQDSPMJUKBS-GOSISDBHSA-N 358.482 2.901 30 50 FFEA CCc1ccc(NC(=O)[C@H](C)Sc2nc(CC)c(C#N)c(=O)[nH]2)cc1 5239001 NPSRKMQCWFXLNC-NSHDSACASA-N 356.451 2.886 30 50 FFEA CCN1CCC[C@@H](CN(C)C(=O)c2cccc(C#N)c2)[C@@H]1c1cnn(C)c1 328630689 QEJZMJGVAJNVBU-AZUAARDMSA-N 365.481 2.837 30 50 FFEA CCOC(=O)N1CCN([C@@H](C#CC2(O)CCCC2)c2ccccc2F)CC1 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CCOC(=O)N1CCN(C(=O)c2cccc(-c3cccc(C#N)n3)c2)CC1 426727323 FHUUDFPECPFRRF-UHFFFAOYSA-N 364.405 2.535 30 50 FFEA COCCC(=O)N1C[C@H](C2CC2)[C@@H](Nc2nc(C(C)C)ccc2C#N)C1 92078102 JFMNLSWYYHUEOT-AEFFLSMTSA-N 356.470 2.762 30 50 FFEA COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C)c(OC)c1 12489370 UWBCSOCESAQVFA-KRWDZBQOSA-N 353.374 2.912 30 50 FFEA N#Cc1ccc(C(=O)NCc2nnc3ccc(-c4ccccc4)nn23)cc1 169778327 JAERGKOSPROMCR-UHFFFAOYSA-N 354.373 2.593 30 50 FFEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1 19582276 PNSUOVGSXPPIAE-QGZVFWFLSA-N 354.406 2.810 30 50 FFEA O=S1(=O)CCC[C@H](/N=C(/O)N2CCCC[C@@H]2Cc2ccccc2)C1 329778816 LLEOAKUDWZCWJJ-DLBZAZTESA-N 350.484 2.575 30 50 FFEA COC[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCO1 369628998 JBWWSJGTPGQWMO-LJQANCHMSA-N 351.406 2.789 30 50 FFEA CCOc1ccccc1N1CCN(Cc2cc(C#CCO)cs2)CC1 823395394 MTGXCTDOBQPCOR-UHFFFAOYSA-N 356.491 2.813 30 50 FFEA C[C@H](Oc1ccc(/C=C/C(=O)c2cccc(OCC(=O)O)c2)cc1)C(=O)O 794694760 HCDOGCRAUFGPJB-RSPDNQDQSA-N 370.357 2.898 30 50 FFEA C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1216235 KBUFABSKWHLCLI-UHFFFAOYSA-N 363.351 2.512 30 50 FFEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 19582779 MQSHNSQPXYWMOG-SFHVURJKSA-N 368.408 2.966 30 50 FFEA C=CCn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1ccccc1 3485335 JBGGSCIGZQKMET-HNNXBMFYSA-N 358.467 2.518 30 50 FFEA CN(C)/C=N/C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 5197705 CUBVPQLZXLIAMH-AWQFTUOYSA-N 363.771 2.586 30 50 FFEA N#Cc1ccc(N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)nc1 72151538 RXGZGDJBHASLAA-HXUWFJFHSA-N 365.456 2.883 30 50 FFEA C[C@@H](Oc1ccccc1-c1c(C#N)c(N)nc2c1N1CCC2CC1)C(=O)O 102380304 IUPPNHWLFFAXLJ-LLVKDONJSA-N 364.405 2.752 30 50 FFEA COc1cccc(CN2CCC[C@H](NCc3cc(C#CCO)cs3)C2)c1 20914310 TVUHIEQYLWLVSL-IBGZPJMESA-N 370.518 2.855 30 50 FFEA COc1ccc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)c(OC)c1 2797723 ILKNVPZAJZMZKK-KEBDBYFISA-N 368.393 2.711 30 50 FFEA N#CC1(/N=C(/O)[C@@H]2CCn3cncc3C2)CCN(Cc2ccccc2)CC1 329250237 UEHIXXRKJUXROC-GOSISDBHSA-N 363.465 2.960 30 50 FFEA COc1ccc(C2(C(=O)N3CCN(C)[C@@H](C#N)C3)CC3(CCC3)C2)cc1 376007260 HPTVNEMVIPWFLQ-KRWDZBQOSA-N 353.466 2.563 30 50 FFEA Cc1cc(S(=O)(=O)N/N=C/c2ccccc2Cl)ccc1[N+](=O)[O-] 220980001 CORBZQYYJJUKTK-CXUHLZMHSA-N 353.787 2.869 30 50 FFEA C[C@@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)c1ccc(O)c(Cl)c1 82166774 SATIXNTXBXIDAE-GFCCVEGCSA-N 369.808 2.795 30 50 FFEA N#Cc1ccc(C(=O)NCc2nnc3ccc(-c4ccc(F)cc4)nn23)cc1 169778401 VEKSKTRRGUXQCW-UHFFFAOYSA-N 372.363 2.732 30 50 FFEA COc1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1Cl 8844127 BBLQZNKJRSRMKM-UHFFFAOYSA-N 368.824 2.952 30 50 FFEA COCc1nc2n(n1)C[C@H](Nc1cc(C#N)ccc1C(F)(F)F)CC2 126990652 VJYIBERCPKEMSI-LLVKDONJSA-N 351.332 2.742 30 50 FFEA CCCc1ccc(S(=O)(=O)Nc2cc(C)nc3c(C#N)cnn23)cc1 2325869024 WFVDNFMZEGAJNQ-UHFFFAOYSA-N 355.423 2.663 30 50 FFEA C=CCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 2987887 AWEKDWTWRQZLNR-UHFFFAOYSA-N 374.462 2.501 30 50 FFEA CCN(C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](COC)Cc1ccccc1 229384091 JWMSSXWFSFPMTJ-NHCUHLMSSA-N 368.477 2.878 30 50 FFEA OCCC#Cc1ccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)cc1 36385772 RJBSYFJRXJNHQF-HSZRJFAPSA-N 370.537 2.622 30 50 FFEA C[C@H]1CC[C@H](/N=C(/O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)CC1 328619786 GFFWQYFPDGSLQT-BQFCYCMXSA-N 373.501 2.943 30 50 FFEA COC[C@H](C)N(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C#N)nc1 96136717 GKMZNQGVBSSYAO-ZDUSSCGKSA-N 368.393 2.751 30 50 FFEA O=[N+]([O-])c1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1 15987981 GNZKYWDVQRKXDL-LICLKQGHSA-N 355.379 2.936 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H](COCc2ccccc2)CC(=O)O)N=N1 2325886897 NCLQZCZYMVXKDB-MRXNPFEDSA-N 357.410 2.518 30 50 FFEA N#CC1(c2ccc(C(=O)N[C@H]3CCCN(CC(F)(F)F)C3)cc2)CC1 288680943 SPZWWZAEOIKVAT-HNNXBMFYSA-N 351.372 2.998 30 50 FFEA C=CCNCC[C@H]1CCC(=O)N1Cc1cnn(-c2cccc(OC)c2)c1 12330307 YCTDXDFRUZPHNY-QGZVFWFLSA-N 354.454 2.538 30 50 FFEA CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1B1OC(C)(C)C(C)(C)O1 950757459 GXXAAMRYTKCWND-CHWSQXEVSA-N 369.267 2.879 30 50 FFEA O=C(C[C@@H]1S/C(=N/N=C/c2ccc(F)cc2)NC1=O)Nc1ccccc1 4794924 GJQRRZPTVLCSAX-BBJIBYMTSA-N 370.409 2.776 30 50 FFEA Cn1cc(C(=N)O)cc1C(=O)NC(C)(C)CCC/N=C(/O)OC(C)(C)C 328593008 GEIBKFNSWHZIIK-UHFFFAOYSA-N 366.462 2.926 30 50 FFEA Cc1cccc(N2C[C@@H](C)N(C(=O)c3cc(F)cc(C#N)c3)CC2=O)c1 82137686 SACKPPXRZQNGFA-CQSZACIVSA-N 351.381 2.883 30 50 FFEA C=CCNC(=O)CCN1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)O)C1 299772277 UVNGZWRSFAHOIL-WFXMLNOXSA-N 356.466 2.649 30 50 FFEA COc1cc(C(=O)O/N=C(\N)c2ccccc2Cl)cc(OC)c1OC 7064502 CIUKAHVHEGAKJO-UHFFFAOYSA-N 364.785 2.843 30 50 FFEA CN1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)CC1 20481944 QOFWJWJQVGMXES-AWEZNQCLSA-N 374.554 2.957 30 50 FFEA Cc1ncc(/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c(C)n1 328618026 DHBUZNZEUKLTCN-NSHDSACASA-N 353.348 2.876 30 50 FFEA O=S1(=O)CCC(CC/N=C(/O)c2cnc([C@@H]3CCCO3)s2)CC1 329005223 MMOARLPSLMBHCX-LBPRGKRZSA-N 358.485 2.514 30 50 FFEA C[C@@H](NC(=O)N1C[C@H]2[C@H](CN)[C@H]2C1)c1nc(-c2ccc(C#N)cc2)cs1 1875274051 CTSDUOMHXWWFBD-MPESAESLSA-N 367.478 2.589 30 50 FFEA COC(=O)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1 4172006 DUHIRWVGVUUHNM-INIZCTEOSA-N 352.394 2.723 30 50 FFEA Cc1cc(C#N)cc(C)c1CC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 2325762802 MEJIHEAUSQXWLF-CQSZACIVSA-N 363.417 2.926 30 50 FFEA COc1ccc(/C(O)=N/[C@]2(C)CC=CCC2)cc1S(=O)(=O)N(C)C 331361817 ZOLMJFXEDWNUJB-QGZVFWFLSA-N 352.456 2.749 30 50 FFEA CC(C)(C)N1CC[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 584897067 VGQVUKJOMSNQPD-KRWDZBQOSA-N 369.513 2.510 30 50 FFEA Cn1cc(N2CCC[C@@H](O/N=C/c3ccccc3OC(F)F)C2=O)cn1 170642533 MDYPBSCQZJRUQD-MNPVBQOISA-N 364.352 2.568 30 50 FFEA COc1ccc(CC(=O)O/N=C(\N)c2cccc(Br)c2)cc1 7067951 BSLKIFBDVOUGHR-UHFFFAOYSA-N 363.211 2.864 30 50 FFEA Cc1cccc2[nH]c(CCNC(=O)c3cccc(C#CC(C)(C)O)c3)nc12 67955043 MNDSYKMNSUSEPV-UHFFFAOYSA-N 361.445 2.966 30 50 FFEA Cc1ccc(S(=O)(=O)OC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 68585229 WPYAOABDDALQSO-AWEZNQCLSA-N 355.456 2.957 30 50 FFEA in-vitro COc1cc(O)ccc1-c1c(C#N)c(N)nc2c1CN(CC(C)C)CC2 72146544 FRGWGAKTTDDRIK-UHFFFAOYSA-N 352.438 2.931 30 50 FFEA C=CCn1c(S)nc2cc(C(=O)NC3C[C@H](C)O[C@@H](C)C3)ccc2c1=O 130734408 DEJXPGCGRQEYQN-RYUDHWBXSA-N 373.478 2.557 30 50 FFEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)CCc2ccc(F)cc2)cc1 222521614 LLQIDORUFOLGGZ-WOJBJXKFSA-N 368.408 2.983 30 50 FFEA Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)C[C@H]1CN(C(C)C)CCO1 97732694 JLJNYECCHITFFR-KRWDZBQOSA-N 368.481 2.506 30 50 FFEA C=CCOc1ccc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc1Cl 1529153547 FPLQTYBGTDWGBA-CRAIPNDOSA-N 359.857 2.730 30 50 FFEA C=CCN1CCc2c(c(C(=O)N3CCCC3)nn2Cc2ccccc2)C1 14750573 TYBOJNAUKVGZMW-UHFFFAOYSA-N 350.466 2.712 30 50 FFEA CO[C@@H]1C[C@@H](c2nncn2C)N(/C(O)=N/[C@@H]2CCCc3ccc(C)cc32)C1 330205226 CGTVMCRMTAUZTF-NXHRZFHOSA-N 369.469 2.877 30 50 FFEA Cc1cc(CNc2sc3c(c2C#N)CCNC3)cnc1-n1cccn1 2325802426 GTNQNSCEPXHNLE-UHFFFAOYSA-N 350.451 2.767 30 50 FFEA CC(C)Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)on1 219326133 YFNLTVTYXFQJQM-IEBWSBKVSA-N 369.421 2.711 30 50 FFEA CN1CCN(C(=O)c2ccc(-c3ccc(F)c(C#N)c3)cc2)C[C@H]1CCO 426441762 MEDJPHTTWDEMRM-LJQANCHMSA-N 367.424 2.503 30 50 FFEA C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]2(C)[C@@]1(O)C(=O)CO 256519015 ZYTXTXAMMDTYDQ-OQRXFHEPSA-N 356.462 2.753 30 50 FFEA CN(Cc1ccc(C#N)cc1F)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328628298 HEKPHUARSAOIIE-FXAWDEMLSA-N 355.461 2.946 30 50 FFEA C=CCCCS(=O)(=O)N1CCC2(CC1)C[C@H]2N(C)Cc1nccs1 489891774 QORQTYFDSSPNBJ-OAHLLOKOSA-N 369.556 2.725 30 50 FFEA O=C1C[C@@H](C(=O)Nc2ccccc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 100129510 WVXMFPBHRRHFRF-TZMCWYRMSA-N 350.374 2.755 30 50 FFEA CN(C)c1ccc(N[C@H]2CCCN(/C(O)=N/C3CCOCC3)CC2)cn1 328655226 YETQEGKYWDIBME-HNNXBMFYSA-N 361.490 2.507 30 50 FFEA CCc1nnsc1/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328620661 HFUNGSCTITVQGV-MRVPVSSYSA-N 359.377 2.883 30 50 FFEA C[C@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)c1cnc2ccccc2c1 82097824 XZTQPJGJSYDNOX-HNNXBMFYSA-N 370.412 2.984 30 50 FFEA N#Cc1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cc1 95381915 KLFNKLPEKYOEBI-BHDDXSALSA-N 373.456 2.966 30 50 FFEA CC(C)NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170623076 SZHJMHUYUWVSQQ-NSHDSACASA-N 366.299 2.602 30 50 FFEA C#CCCC1(CCNC(=O)c2nnn(-c3cccc4ncccc34)c2C)N=N1 2325890982 KDVCCMVPRRNTKL-UHFFFAOYSA-N 373.420 2.819 30 50 FFEA N#Cc1cc(C(=O)c2ccccc2)[nH]c1N1CCN(c2ccccn2)CC1 1396619 HFYJLGRCXIJVDG-UHFFFAOYSA-N 357.417 2.839 30 50 FFEA N#C[C@@H]1CCCN(C(=O)c2cccc(-c3nc4c(cc3C(N)=O)CCC4)c2)C1 426438908 QPQYWZZMHASLLV-AWEZNQCLSA-N 374.444 2.712 30 50 FFEA COc1ccc(-c2csc(C3=C(N)N(C[C@@H]4CCCO4)CC3=O)n2)cc1 13551782 KUKJWIXVGJGVIO-AWEZNQCLSA-N 371.462 2.510 30 50 FFEA CCOC1(C)CCN(/C(O)=N/C2CCN(c3nccs3)CC2)CC1 330196681 QRIVSJMIHBGUDT-UHFFFAOYSA-N 352.504 2.917 30 50 FFEA CN1[C@H]2CCC[C@@H]1c1c(nc(N)c(C#N)c1-c1ccccc1OCCO)C2 71750597 QNZGMVRLMXFYPD-SUMWQHHRSA-N 364.449 2.655 30 50 FFEA N#Cc1c(NC[C@H]2CCN(C(=O)Cc3ccccc3)C2)nc2ccccn12 363691693 TZVJHIQKNJCTSI-QGZVFWFLSA-N 359.433 2.709 30 50 FFEA C=CCNC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccc([N+](=O)[O-])cc1 15922361 UUTQSKHNFMHCHT-SFQUDFHCSA-N 369.352 2.807 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1OC 4906475 YFBMHKIYBQOATJ-SFHVURJKSA-N 367.401 2.920 30 50 FFEA Cc1nsc(N2CCN(C/C(O)=N/C3(C#N)CCCCC3)CC2)c1C#N 329822503 HIMKVSJUDPERGG-UHFFFAOYSA-N 372.498 2.628 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)NCc2nncn2C2CCCCC2)cc1 218123364 DMNYLGQNSVSOMW-UHFFFAOYSA-N 366.465 2.836 30 50 FFEA CC(C)(CN1CCCCC1)NC(=O)N1CCN(c2ccccc2C#N)CC1 426595056 RFIZWZBHUNKEEH-UHFFFAOYSA-N 369.513 2.654 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(C(=O)NCc1ccc(F)cc1)CC2 91487103 LREIWPQBHPJAKX-UHFFFAOYSA-N 359.445 2.926 30 50 FFEA O=[N+]([O-])c1cc(/C=N\NS(=O)(=O)c2ccc(F)cc2)ccc1Cl 32577562 GVMDMWGZCPZRFY-PXNMLYILSA-N 357.750 2.700 30 50 FFEA Cc1ccc(CC(=O)N2CCN(c3ncc(C#N)cc3Cl)CC2)cc1 116715570 CFWBELGGWSBJOJ-UHFFFAOYSA-N 354.841 2.806 30 50 FFEA CC[C@@](C)(C#N)C(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 952891123 AMKZDUUQMQHZPA-IBGZPJMESA-N 352.442 2.523 30 50 FFEA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](Cc3ccc(C#N)cc3)C2)C1 1875371060 NONFGLMVRQBZOX-UXHICEINSA-N 365.477 2.764 30 50 FFEA N#Cc1cnn(-c2cccc(C(=O)NCC3CC(C(F)(F)F)C3)c2)c1N 2325782953 PERMCMPXTOJHED-UHFFFAOYSA-N 363.343 2.644 30 50 FFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 281493493 QGRNJRFZOQOVNM-BWPNAZKDSA-N 356.466 2.694 30 50 FFEA COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCC(N)=O 5916000 GOSMQBYWKGXXHD-DJKKODMXSA-N 356.407 2.615 30 50 FFEA CC(C)(O)C#Cc1ccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)cc1 19607701 PENUBTJXVUCTJO-QFIPXVFZSA-N 370.537 2.620 30 50 FFEA C[C@H](CNC(=O)C1CCN(c2ccc(C#N)cn2)CC1)CC(F)(F)F 1875265971 OAIGXXPWGANBBI-LBPRGKRZSA-N 354.376 2.874 30 50 FFEA C#CCCC1(CCC(=O)N2C[C@H]3C[C@@H](C2)[C@H](c2ccccc2)[C@H]3N)N=N1 2325901004 QGWMBMHKHDOUCN-HNJRGHQBSA-N 350.466 2.932 30 50 FFEA CC/C(NCCc1ccccc1)=C1/C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100450224 CZGNOAHDNPWEIB-ODECOBMASA-N 357.450 2.840 30 50 FFEA biogenic C=CCc1c(C)nc(N)nc1NCc1ccc(C(=O)N2CCCC2)cc1 95376819 CFSVPVXVUWSSRN-UHFFFAOYSA-N 351.454 2.944 30 50 FFEA C#CC[C@]1(C(=O)NCc2ccc(CNC(=O)C=C)cc2F)CC=CCC1 1875386069 IIGCFRJWTULYHX-NRFANRHFSA-N 354.425 2.994 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(C(=O)CCOc1ccccc1)CC2 92046400 XYBWKMFNCOPHRA-UHFFFAOYSA-N 356.466 2.873 30 50 FFEA CCC#CCN1C[C@@H]2CN(C(=O)COCC)C[C@]2(CCc2ccccc2)C1 1772708164 DKYBOYAWXFRBEL-GGAORHGYSA-N 368.521 2.830 30 50 FFEA OCC[C@@H]1CN(CC#Cc2ccccc2)CCN1Cc1ccccc1F 19224277 CINJICUMTXDDLB-OAQYLSRUSA-N 352.453 2.746 30 50 FFEA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)/C(O)=N/Cc1ccsc1 328628141 NJKPINDCHPREOW-DOTOQJQBSA-N 361.515 2.911 30 50 FFEA Cc1cccc(/C(O)=N/[C@H](CO)CN2CCCCC2)c1Br 330799000 IDVVXSIFUFOJEI-ZDUSSCGKSA-N 355.276 2.909 30 50 FFEA C=CCC(=O)N1C[C@H](C)CN(C(=O)C(Br)=C(C)C)C[C@@H]1C 2325878312 KWBZKHLYHNGAKW-OLZOCXBDSA-N 357.292 2.947 30 50 FFEA N#Cc1ccc(N2CCN(CCCNC(=O)Nc3ccccc3)CC2)cc1 2869355 MWORXPYAKYWYTJ-UHFFFAOYSA-N 363.465 2.892 30 50 FFEA CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328631914 KYIIRVPYPNAAPB-OXJNMPFZSA-N 355.461 2.946 30 50 FFEA CCOc1ccc(NC(=O)N(CCCO)Cc2ccncc2)cc1C#N 299782045 WNPLVWBIHGFINL-UHFFFAOYSA-N 354.410 2.768 30 50 FFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 19639010 LDVWJJUIDDKSJI-LJQANCHMSA-N 370.449 2.875 30 50 FFEA N#Cc1ccc(C(F)(F)F)c(NCCCn2nc3n(c2=O)CCCC3)c1 127776731 DCIMYGKRCOVSEE-UHFFFAOYSA-N 365.359 2.774 30 50 FFEA N#Cc1ccc2ncc(CN3CCC[C@@H](Cc4nnc5ccccn45)C3)n2c1 375097585 TWAYUXCHLWNUBW-INIZCTEOSA-N 371.448 2.703 30 50 FFEA CCS(=O)(=O)c1c(Cl)cccc1/C=N/n1c(S)nnc1C1CC1 1875262312 CMNROMRLKSCDRP-LZYBPNLTSA-N 370.887 2.773 30 50 FFEA Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2O)c(=O)n(-c2ccccc2)n1C 33246260 ISXDJZQOYQPQED-YBFXNURJSA-N 352.350 2.849 30 50 FFEA Cc1cccc(-c2nnc(S(=O)(=O)Cc3ccccc3C#N)n2C)c1 170617124 FGTXCRQAJHSVTO-UHFFFAOYSA-N 352.419 2.636 30 50 FFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC(C)=O)cc1 19638292 XKXDNPJVRDCWPK-GOSISDBHSA-N 355.390 2.753 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)N=N1 952881541 PTFCWKDPLQWTCS-CQSZACIVSA-N 360.364 2.542 30 50 FFEA C=CCC[C@@H](CN1CCCN(C)CC1)Oc1cc(N2CCCCC2)ncn1 106717283 IWEWIIQELOIEOC-IBGZPJMESA-N 373.545 2.818 30 50 FFEA N#C[C@]1(/N=C(/O)c2cncc(N3CCOCC3)c2)CCc2ccccc2C1 329979060 IUZPZOBTHABHRC-NRFANRHFSA-N 362.433 2.674 30 50 FFEA Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H](C)C[C@H]3[C@@H]2CCC32OCCO2)cc1 71786152 JFLAOVOCSDIJQI-QSPRXWTASA-N 352.452 2.878 30 50 FFEA Cn1cc(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)cc2)cn1 226098129 RRZVGDGTWNQAPW-UHFFFAOYSA-N 357.421 2.798 30 50 FFEA in-vitro CN(C)CCOc1ccc(/C=C/C(=O)N(CCC#N)CC(F)(F)F)cc1 170600424 XBGJSSAPOMFNTI-RMKNXTFCSA-N 369.387 2.945 30 50 FFEA Cc1nc(N2CCC([C@H](O)c3cccs3)CC2)c(C#N)cc1C(=O)O 1529173713 PKICWRPIOMMIOC-INIZCTEOSA-N 357.435 2.971 30 50 FFEA C=CCC1(CC=C)CCCN1C(=O)C[C@H]1C(=O)NCCN1CC=C(C)C 12578837 ICKOIVISVWEHAC-SFHVURJKSA-N 359.514 2.657 30 50 FFEA C=CCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)C(C(=O)OCC)=C1C 13602912 RVODKLABQUTCTM-VBKFSLOCSA-N 355.390 2.722 30 50 FFEA C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 4323120 VQYIWDSVCJBRAO-UHFFFAOYSA-N 367.426 2.825 30 50 FFEA C=CCc1cc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1OCC 55037194 OGHXNIQBKOWLLQ-FQEVSTJZSA-N 358.482 2.637 30 50 FFEA COC(=O)CCn1cc(-c2c(C)c(-c3ccccc3)nc(N)c2C#N)cn1 67783843 QRNKBPXVGFJSBK-UHFFFAOYSA-N 361.405 2.938 30 50 FFEA COCC1(C(=O)N2C[C@H](C(C)C)[C@@H](Nc3nc(C)ccc3C#N)C2)CC1 91987536 OYILTSYEYVZDIR-SJORKVTESA-N 356.470 2.583 30 50 FFEA Cc1ccc(S(=O)(=O)/N=C(\O)COc2ccc([N+](=O)[O-])cc2)cc1 2700429 PIRZCCKTWONEQW-UHFFFAOYSA-N 350.352 2.627 30 50 FFEA CCN1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(OC)c(C#N)c3)C2)[C@@H]1C(C)C 922392587 DYJCLKSSUIFDMU-RMVXJAJNSA-N 357.498 2.526 30 50 FFEA C[C@@H](NC(=O)c1cc(O)nn1C)c1nc(-c2ccc(C#N)cc2)cs1 1875317766 CZVSFASFJAZBST-SNVBAGLBSA-N 353.407 2.612 30 50 FFEA C[C@@H]1CN(c2cccc(F)c2)CCN1S(=O)(=O)CC1(C#N)CCCC1 330218758 OXWPNLDOQSNSGK-OAHLLOKOSA-N 365.474 2.750 30 50 FFEA N#CCCn1c(=O)c(C(=O)NCc2ccccc2F)c(O)c2ccccc21 170624778 CANMPPIFQQHSNH-UHFFFAOYSA-N 365.364 2.690 30 50 FFEA N#Cc1cccc(N2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)n1 96163053 GSMANGQXODFCBF-UHFFFAOYSA-N 374.452 2.508 30 50 FFEA C=CCOc1cc(Cl)c(CN2C[C@@H]3CCOC[C@]3(CO)C2)cc1OC 1857669678 RCYJFMKQIRAROL-HNAYVOBHSA-N 367.873 2.744 30 50 FFEA COc1cc(C#N)ccc1CN1CC[C@@H](Oc2ccnc(CN(C)C)c2)C1 886096545 LOUACBDTBKVUHX-HXUWFJFHSA-N 366.465 2.677 30 50 FFEA C[S@@](=O)C1(CNC(=O)c2ccc(COc3ccccc3C#N)o2)CCC1 225499872 SSTIDCILCDHEOV-AREMUKBSSA-N 372.446 2.761 30 50 FFEA CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(OCC)c1 101021692 JABPDADPXZNWGV-LEFTUZDWSA-N 354.406 2.625 30 50 FFEA N#Cc1cc(F)cc(C(=O)N2CCc3c(nc(-c4ccccc4)[nH]c3=O)C2)c1 72125401 UANSQRIJDNBYCY-UHFFFAOYSA-N 374.375 2.646 30 50 FFEA CC(C)c1nccn1[C@H](C)C(=O)NC1CCN(c2ncccc2C#N)CC1 95526680 FMMUMFKNUFCCGB-OAHLLOKOSA-N 366.469 2.619 30 50 FFEA CC1=NN(C2=NCCS2)C(=O)/C1=N\Nc1cccc(C(F)(F)F)c1 100913670 CLRDZIMWJKYTPW-JAIQZWGSSA-N 355.345 2.794 30 50 FFEA CC#CC(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14537203 GYDGGFYKMOLTCG-FQEVSTJZSA-N 368.477 2.599 30 50 FFEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCc1ccco1)C2 14543269 XBGKQDNNKWPKCU-MRXNPFEDSA-N 368.481 2.935 30 50 FFEA N#Cc1cccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)c1 1529167716 MOOFWSMBZKYSRD-WIYYLYMNSA-N 357.413 2.782 30 50 FFEA C#CCOCCNC(=O)N1CC(C)(C)[C@H]1c1nccn1Cc1ccccc1 952893045 QYMNBHJLAPCHRS-GOSISDBHSA-N 366.465 2.674 30 50 FFEA Cc1nn(C)c(C)c1[C@H]1CCCN1[C@@H]1CCN(c2sccc2C#N)C1=O 177058377 FYKCNZROTJPYAU-HZPDHXFCSA-N 369.494 2.913 30 50 FFEA C=CCNC(=O)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 14968209 QSQSPOVIWSDMJZ-FQEVSTJZSA-N 367.537 2.632 30 50 FFEA N#CC1(c2ccccc2)CCN(c2cncc(C(=O)N3CCCC3)n2)CC1 1529172388 GPOSYADXCCSKCX-UHFFFAOYSA-N 361.449 2.774 30 50 FFEA COC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1Br 169951904 TWWOHUUTBVPQQO-UHFFFAOYSA-N 359.000 2.674 30 50 FFEA CC1(C)OB(c2cc(Br)cnc2Br)OC1(C)C 169969051 KQFUAFHXDIYFFH-UHFFFAOYSA-N 362.858 2.906 30 50 FFEA CC[C@](C)(C#N)C(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 952891124 AMKZDUUQMQHZPA-LJQANCHMSA-N 352.442 2.523 30 50 FFEA C=CCn1c(SCC(=O)Nc2ccccc2O)nnc1-c1ccncc1 4937607 GAZKHWOGEDGOGY-UHFFFAOYSA-N 367.434 2.963 30 50 FFEA C=C(C)CN1CCN(c2ncnc3c2cnn3Cc2ccc(C)cc2)CC1 6759161 TYARNOJGCVNRMM-UHFFFAOYSA-N 362.481 2.881 30 50 FFEA Cn1nc(CC/N=C(/O)N2CCC[C@@H](c3ncc[nH]3)C2)c2ccccc21 330098596 CCALVPXYCLGYNF-CQSZACIVSA-N 352.442 2.633 30 50 FFEA CN1CCC(c2c(C#N)c(N)nc3c2CN(Cc2ccccc2)CC3)CC1 72128272 IREMSYOUFXEQLU-UHFFFAOYSA-N 361.493 2.903 30 50 FFEA C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2OC(C)=O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O 95911660 LSUXOKVMORWDLT-KEXKRWMXSA-N 374.477 2.846 30 50 FFEA biogenic,in-vitro CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(c1cnc(C#N)cn1)CC2 275672067 LRGNWLGUXYRZBO-KRWDZBQOSA-N 367.478 2.817 30 50 FFEA Cc1ccc(S(=O)(=O)N/N=C/c2cccc(OC3CSC3)c2)cc1 1173220 SJJTYDSOWMUUPD-VCHYOVAHSA-N 362.476 2.802 30 50 FFEA CC(=O)/N=C(\NCCc1c[nH]c2ccccc12)Nc1nc(C)cc(C)n1 18140833 TXTBAYSPGYGYRM-UHFFFAOYSA-N 350.426 2.721 30 50 FFEA Cc1nc(-c2ccc(F)cc2)n(Cc2cccc(C#N)c2)c(=O)c1CCO 169754358 NMCYOEKTESJYQQ-UHFFFAOYSA-N 363.392 2.813 30 50 FFEA C#CCCC1(CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)N=N1 952881729 MNVYYZNDUMPDGQ-UHFFFAOYSA-N 354.454 2.837 30 50 FFEA N#Cc1cccc2c(C(=O)NC[C@H]3CCCN3Cc3ccccn3)c[nH]c12 2325821808 CCWUDJALRXWOLR-QGZVFWFLSA-N 359.433 2.829 30 50 FFEA C=CCOc1ccccc1CN1CC[C@@H](N(C)C)[C@@H](CCC(=O)OC)C1 11788404 IRXKQOOYYJIOEX-PKOBYXMFSA-N 360.498 2.957 30 50 FFEA C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1215048 FYBBTZQZJXCGJX-UHFFFAOYSA-N 363.351 2.512 30 50 FFEA Cc1oc(C#N)cc1C(=O)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952847998 DGNJXSUNKLOESV-CVEARBPZSA-N 351.410 2.721 30 50 FFEA C#CCCC1(CCC(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)C2)N=N1 2325900920 NPSKGKYVKGDYGI-LJQANCHMSA-N 353.422 2.888 30 50 FFEA C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 783749 LUDKVNURLAFVAX-OAQYLSRUSA-N 367.401 2.697 30 50 FFEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2nc3ccccc3nc2C)C1 328613141 QWEYBGIGJFCRNW-SFHVURJKSA-N 352.398 2.712 30 50 FFEA Cc1noc([C@@H]2CCCCN2C(=O)c2cccc(C#CC(C)(C)O)c2)n1 952980217 WJTRQSUWDFHTEM-KRWDZBQOSA-N 353.422 2.868 30 50 FFEA C#CCCC1(CCC(=O)Nc2nn(Cc3cnn(C)c3)cc2Cl)N=N1 1875387472 JPHIVCFVJMCGNR-UHFFFAOYSA-N 359.821 2.613 30 50 FFEA COC(=O)c1n[nH]cc1-c1cc(-c2c[nH]c3ccccc23)nc(N)c1C#N 71762887 DHGAKZXOGDHGKS-UHFFFAOYSA-N 358.361 2.860 30 50 FFEA N#Cc1ccc([C@H](O)CN2CCCN(C(=O)CC3CCCC3)CC2)cc1 378144511 RATKDAYHRGRMOU-HXUWFJFHSA-N 355.482 2.706 30 50 FFEA COc1ccc(OC)c([C@@H]2O[C@@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@H]3C)c1 137508217 AWPUFUSRPAOQJY-FGLZHVGKSA-N 366.377 2.678 30 50 FFEA C=CCn1c(S[C@@H](CC)C(=O)NC(C)(C)C)nnc1C1CCNCC1 426424381 QWXGZFHZMWWBFY-AWEZNQCLSA-N 365.547 2.717 30 50 FFEA C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CF 118935627 RKZQIIAUELZWEU-MKIDGPAKSA-N 362.441 2.535 30 50 FFEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(c2ccccc2OC)CC1 281812796 NXLBRYWMJRAWJM-QFBILLFUSA-N 359.470 2.508 30 50 FFEA Cc1ccc(C(=O)N2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)cc1 274373012 ZJCLCLPSJLCGCP-UHFFFAOYSA-N 350.378 2.737 30 50 FFEA CN(C)CCNc1oc(COc2ccc(Br)cc2)nc1C#N 934588 USOHLXRIHMQDSN-UHFFFAOYSA-N 365.231 2.861 30 50 FFEA N#Cc1ccc(C(=O)N2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)cn1 2356164125 GFXRDAFDKBHEOE-JOCHJYFZSA-N 374.444 2.751 30 50 FFEA C=CCN1CCN(C(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 20311728 CGVZDMLZBOJVMG-ZDUSSCGKSA-N 353.260 2.547 30 50 FFEA CCc1nn(C)c(Cl)c1-c1cc(-c2cn(C)nc2C)nc(N)c1C#N 71759491 FXEUYBUOUDMARY-UHFFFAOYSA-N 355.833 2.861 30 50 FFEA C[C@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)c1ccc(O)c(Cl)c1 82166777 SATIXNTXBXIDAE-LBPRGKRZSA-N 369.808 2.795 30 50 FFEA COC(=O)CCc1ccc(N/C=C2/C(=O)Oc3ccccc3C2=O)cc1 824146437 VPJNIIZZDOWITL-FOWTUZBSSA-N 351.358 2.890 30 50 FFEA biogenic COc1ccc(NC(=O)[C@H]2CC(=O)N/C(=N\c3ccccc3)S2)cc1 18006629 JCYDXVRGNYGRCY-OAHLLOKOSA-N 355.419 2.943 30 50 FFEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 19582795 SMTCNGSZCHWCLS-SFHVURJKSA-N 350.418 2.827 30 50 FFEA Cc1cc(C#N)ccc1C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 161583296 OPBZLPQYFUGCSQ-UHFFFAOYSA-N 355.419 2.659 30 50 FFEA CO[C@@H](CC(C)C)CS(=O)(=O)N1CC[C@H](CC#N)C(F)(F)CC1 2325783858 HVKVFODGMYKEFA-KBPBESRZSA-N 352.447 2.638 30 50 FFEA CC(=O)N/C(=C/c1ccccc1)C(=O)N1C[C@@H](C#N)[C@H](c2ccccc2)C1 366485025 VDIDJRJTHZLMGQ-DSLRRYSGSA-N 359.429 2.929 30 50 FFEA C=CC[C@@]12C[C@@H](OC1=O)[C@@H]1[C@H](CC=C3CC4(CC[C@@]31C)OCCO4)C2=O 253595700 HPJIPJBUJISTCO-MHZKCTCGSA-N 358.434 2.943 30 50 FFEA C=CCN1C(=O)S/C(=C/c2cc(OCC)c(O)c([N+](=O)[O-])c2)C1=O 16266796 IOJQTQFCBCPBQB-XYOKQWHBSA-N 350.352 2.921 30 50 FFEA COc1ccc2c(c1)[C@H](/N=C(/O)[C@@H]1CCCO1)CCN2C(=O)[C@@H]1CCCO1 329503407 IDSGBBCIRKJPEX-NJAFHUGGSA-N 374.437 2.788 30 50 FFEA N#Cc1c(N)nc2c(c1-c1cccs1)CN(C(=O)c1ccncc1)CC2 72148354 WEOZMAKLBNMKFW-UHFFFAOYSA-N 361.430 2.857 30 50 FFEA COc1cc(OC)c(OC)cc1/C=N/N1CCN(c2ccccc2)CC1 946020 GGMYONQSDKQZJJ-RCCKNPSSSA-N 355.438 2.869 30 50 FFEA C[C@@]1(Br)C[C@@H]1C(=O)NC1(c2cccc(C#N)c2)CCOCC1 862206038 CGRPWWFXUNBRDE-GDBMZVCRSA-N 363.255 2.854 30 50 FFEA CC(C)(C)OC(=O)N1CC2(CC(Cn3nc(C#N)c4ccccc43)=NO2)C1 1875324162 KFSURPXBXMUQBY-UHFFFAOYSA-N 367.409 2.674 30 50 FFEA N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCCC34CCCC4)CC2)n1 2325827790 QOGAZFRFYZLZST-KRWDZBQOSA-N 353.470 2.898 30 50 FFEA Cc1ccc(-c2c(C)nn3c(N4CCN(CC#N)CC4)cc(C)nc23)cc1 20548066 MUIQDDGNDJYKEX-UHFFFAOYSA-N 360.465 2.967 30 50 FFEA C=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)NC3CCC3)nc2c1=O 72409736 JWJVEFQDXWQZPL-UHFFFAOYSA-N 366.421 2.841 30 50 FFEA CC(C)(C)N1C[C@H](C(=O)N2CCC(c3cccc(C#N)c3)CC2)CC1=O 91849152 WJKYTNSEJBNQHJ-GOSISDBHSA-N 353.466 2.911 30 50 FFEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(N3CCCCC3)o1)[C@H]1C=C[C@H]2C12CC2 245227019 WIMVPYBEPMZMEC-IREBDYPBSA-N 365.433 2.801 30 50 FFEA N#Cc1ccccc1N1CCN(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)CC1 123303585 ODTJIOLUSBKPSX-TUNNFDKTSA-N 372.472 2.976 30 50 FFEA COc1cccc([C@@H]2O[C@@]3(C)OC(=N)[C@@](C#N)([C@@H]3C)C2(C#N)C#N)c1OC 226810636 JSIXCCUXPRCOEI-DEZHIDQISA-N 366.377 2.678 30 50 FFEA CCc1cc(C#N)ccc1NC(=O)N1C[C@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 95520261 WMYFSVJAIFHRBS-AYBZRNKSSA-N 366.465 2.985 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccnc(OC3CCN(C)CC3)c2)N=N1 2325892724 YYXRHHDXHHZNOL-UHFFFAOYSA-N 355.442 2.849 30 50 FFEA O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccccc1F)c1ccco1 1154000 MLTBKXNVJIGXFF-OAHLLOKOSA-N 365.320 2.992 30 50 FFEA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccncc2)C2=C(CCCC2=O)N1 100449292 KWSACYXBMDOFEG-KXBFYZLASA-N 368.433 2.772 30 50 FFEA Cc1ccc(N2CCC[C@H](/N=C(/O)[C@H](C)OC[C@H]3CCCCO3)C2)nn1 329613266 RTMGOIBHEPYAFY-YESZJQIVSA-N 362.474 2.685 30 50 FFEA O/C(=N/Cc1noc2c1CCCC2)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 329692315 CDRJLQANSRMUTD-RLFYNMQTSA-N 358.486 2.774 30 50 FFEA C[C@H]1CN(Cc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccccc1 170603586 ZSYSCEYMULATDE-KRWDZBQOSA-N 369.490 2.594 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 5013427 YGUQXXQGAKKZTO-GOSISDBHSA-N 367.401 2.920 30 50 FFEA N#Cc1cc(NC(=O)c2cccnc2-n2cncn2)ccc1OC(F)(F)F 1875252399 OQBACDZRNONRNB-UHFFFAOYSA-N 374.282 2.685 30 50 FFEA N#Cc1c[nH]c2cccc(C(=O)NCc3ccccc3CN3CC[C@H](O)C3)c12 2325791571 QLHVDYGEIAFHAB-SFHVURJKSA-N 374.444 2.536 30 50 FFEA C#CCCC1(CCC(=O)N(C)C[C@H]2CN(c3ccccc3)C(=O)O2)N=N1 2325892200 DREOUXBSWOGKJS-INIZCTEOSA-N 354.410 2.826 30 50 FFEA C=C(C)Cn1c(SCc2ccc(C)cc2)nc2c1c(=O)n(C)c(=O)n2C 623408 GWGWLEOSONWTDF-UHFFFAOYSA-N 370.478 2.611 30 50 FFEA C=CCC[C@H](CN1CCCN(C)CC1)Oc1cc(N2CCCCC2)ncn1 67955483 IWEWIIQELOIEOC-LJQANCHMSA-N 373.545 2.818 30 50 FFEA COC(=O)[C@H](/C=N/OCc1ccc(Cl)cc1)NC(=O)c1ccccc1 5209726 TWKSEHXIEQAQOH-YODDIOPGSA-N 360.797 2.814 30 50 FFEA C=CCn1c(N/N=C\c2cc([N+](=O)[O-])ccc2O)nc2ccccc2c1=O 36144951 ZWDYVWMEPSXKJV-ODLFYWEKSA-N 365.349 2.642 30 50 FFEA CCOC(=O)C1(CCOC)CCN(Cc2ccc(C#CCCO)cc2)CC1 12596005 BYVJCICOLUJJGJ-UHFFFAOYSA-N 373.493 2.602 30 50 FFEA CCOc1ccc(S(=O)(=O)N/N=C2\CCCC[C@H]2c2cncnc2)cc1 1875262051 LRVZBAPZBGNXJW-SPGGGKMGSA-N 374.466 2.867 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)N=N1 2325891959 OXFASEJOJNRICN-HNNXBMFYSA-N 368.437 2.890 30 50 FFEA 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(Br)cc1 252327549 URPZHFWDRVPDSQ-RUSKEJFESA-N 371.234 2.836 30 50 FFEA C=CCn1c(CN(C)Cc2cnn(C)c2C)nnc1SCC(=C)Cl 12041816 GFVGUCOVVNPQPX-UHFFFAOYSA-N 366.922 2.983 30 50 FFEA CCc1ccc(N2CC(=O)C(c3nc4ccc(C)cc4c(=O)[nH]3)=C2N)cc1 1792385 HUJSDFOAQSKMPF-UHFFFAOYSA-N 360.417 2.511 30 50 FFEA C=CCN(c1ccc(C(=O)Nc2ccc(OC)cc2)cc1)S(C)(=O)=O 687833 DGBQUWZXGYORJZ-UHFFFAOYSA-N 360.435 2.900 30 50 FFEA C=CCn1cc(-c2cc(-c3[nH]c(C)c(C(=O)O)c3C)nc(N)c2C#N)cn1 71763766 JIZPAVNNCQCREM-UHFFFAOYSA-N 362.393 2.895 30 50 FFEA N#Cc1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2 225747637 RYXMVXQAXNBIMW-GBOPCIDUSA-N 360.435 2.705 30 50 FFEA CC1(C)OB(c2ccccc2CN2C(=O)c3ccccc3C2=O)OC1(C)C 169809903 HXXPHCDZEYKJQR-UHFFFAOYSA-N 363.222 2.782 30 50 FFEA in-vitro C=CC(=O)N(CC)CC(=O)Nc1cnn(-c2cccc(C#N)c2)c1CCC 907623857 NUDHUEGRQOKFQW-UHFFFAOYSA-N 365.437 2.669 30 50 FFEA COc1cccc([C@@H]2[C@H](/N=C(/O)[C@@H]3CCC(=O)N3C)CCN2C2CC2)c1 329510821 MWBMGUMHYDYTPC-ZIFCJYIRSA-N 357.454 2.550 30 50 FFEA COC(=O)[C@H]1[C@@H]2CC[C@H](OC(C)(C)C)[C@@]2(C)CC[C@H]1OS(C)(=O)=O 71786518 CNZCUGBMRKLKDP-WLZFUECHSA-N 362.488 2.514 30 50 FFEA COC(=O)c1cc(Br)cc(I)c1C#N 263624807 UKSDIFUSRPZAPI-UHFFFAOYSA-N 365.952 2.712 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1cccc(OC)c1 8915057 ZWFNOZWOPRKQCV-QGZVFWFLSA-N 371.389 2.821 30 50 FFEA CN(CC(O)=Nc1nncs1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328634978 NAAOZTMWJMEPFQ-SECBINFHSA-N 374.392 2.536 30 50 FFEA N#Cc1cc(NC(=O)N[C@H]2CCc3c[nH]nc3C2)ccc1OC(F)(F)F 367004427 MLSXTXKYPULVFS-LBPRGKRZSA-N 365.315 2.859 30 50 FFEA Cc1ccc(-c2nn3ccn(Cc4cccc(C#N)c4)c(=O)c3c2CO)cc1 263618461 TWZBYMOUJUGYEX-UHFFFAOYSA-N 370.412 2.884 30 50 FFEA C=CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2 12384526 CVDCBDYZMCCLKO-UHFFFAOYSA-N 358.511 2.834 30 50 FFEA O=[N+]([O-])c1cccc(/C=N/n2c(S)nnc2COc2ccccc2)c1 15988009 ATFCBSDGKGRTCO-LICLKQGHSA-N 355.379 2.936 30 50 FFEA N#Cc1ccc(CCC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 114309180 MUVASEXMVSAHAD-OAQYLSRUSA-N 358.445 2.727 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)NCc2ccccc2-n2ccnc2)c1 65455633 LXZVINIGRFRXDK-UHFFFAOYSA-N 359.429 2.925 30 50 FFEA Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)cc1 330252703 OMYWLLFHFSKLAD-OKZBNKHCSA-N 361.511 2.678 30 50 FFEA Cc1cc(N(C)[C@@H]2CCN3CCO[C@H]2C3)n2c(nc3ccccc32)c1C#N 333757174 YXAWUYXSVGPKQG-MOPGFXCFSA-N 361.449 2.577 30 50 FFEA C[C@H]1C[C@@H](C)C(=O)C(=C(CC2CC(=O)NC(=O)C2)Nc2ccccc2)C1=O 12436637 TYSGJWLNVJBNHV-BETUJISGSA-N 368.433 2.610 30 50 FFEA CC1(C)OB(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)OC1(C)C 208396638 LDTGWOUFFGCIMI-UHFFFAOYSA-N 365.304 2.551 30 50 FFEA N#Cc1ccsc1N1CC[C@H](N2CC[C@]3(C2)OCc2ccccc23)C1=O 248771756 VTAASBYCJISXQR-FXAWDEMLSA-N 365.458 2.856 30 50 FFEA CN(C(=O)c1cccc(N=C(O)c2cccnc2)c1)[C@@H]1CC(C)(C)OC1=O 328592271 BKUVVDJROGUTES-MRXNPFEDSA-N 367.405 2.884 30 50 FFEA CC(C)C[C@H](NC(=O)c1cccc(-c2ccc(F)c(C#N)c2)c1)C(N)=O 426597275 SGNPNWHDNBSLPA-SFHVURJKSA-N 353.397 2.994 30 50 FFEA N#Cc1cccnc1N1CCN(C[C@@H]2CCN(Cc3ccccc3)C2)CC1 252497536 QKBMFQQDSACRQL-FQEVSTJZSA-N 361.493 2.597 30 50 FFEA COc1ccc(NC(=O)NC[C@H]2Cc3ccccc3CN2C)cc1C#N 299775124 HGSJAGUBQZGTKN-GOSISDBHSA-N 350.422 2.745 30 50 FFEA O=C(C[C@@H]1CCOC1)N1CCOc2c(N=C(O)C[C@H]3CCOC3)cccc21 328906763 LAEVKBMXIHXFBN-CABCVRRESA-N 374.437 2.853 30 50 FFEA COc1ccc(CN[C@H]2CCO[C@@H]2c2cnn(CC3CC3)c2)cc1C#N 888076089 XLEAGGKVDLUTMG-AZUAARDMSA-N 352.438 2.793 30 50 FFEA C=CCn1c(=N)n(C[C@H](O)COc2ccc(OC)cc2)c2ccccc21 20267801 WRFIQSLSDHSYOQ-HNNXBMFYSA-N 353.422 2.557 30 50 FFEA CCn1cc(CN2CCN(c3ccc(OC)cc3)C(=O)[C@H]2C)cc1C#N 72139077 YSUOMSTUCMTDLJ-OAHLLOKOSA-N 352.438 2.626 30 50 FFEA CCN1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C(=O)C1=O 95502230 NZMFPXFKJMVNMD-UHFFFAOYSA-N 361.445 2.577 30 50 FFEA C#C[C@@H](COC)NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 170596941 JHWDRTOJGRACCV-ZDUSSCGKSA-N 370.409 2.513 30 50 FFEA O=C1NC[C@H]2[C@H]1CCCN2C(=O)Nc1cccc(C#Cc2ccccc2)c1 170608466 NOESCEDWHCGJKY-UXHICEINSA-N 359.429 2.829 30 50 FFEA CCCCc1ccc(CN2CCN(c3ncc(C#N)c(N)n3)CC2)s1 65408505 GLXBQFINSOMVGQ-UHFFFAOYSA-N 356.499 2.657 30 50 FFEA N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCO[C@H](C2CCC2)C1 333364709 LREBSSINHQIJQU-AWEZNQCLSA-N 374.384 2.767 30 50 FFEA Cc1ccc(-c2nn3ccn(Cc4ccccc4C#N)c(=O)c3c2CO)cc1 263618895 WAYCQQFXUWWFBG-UHFFFAOYSA-N 370.412 2.884 30 50 FFEA COc1cc(/C=N/N=C2/SCC(=O)N2c2ccc(O)cc2)ccc1O 1894924 KCQPMBIHCDPQBJ-JCAVOIIISA-N 357.391 2.576 30 50 FFEA CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)ccc1O 3901625 JJGKIXYIDRMXEM-SFHVURJKSA-N 357.406 2.932 30 50 FFEA O=C1COCCN1C/C(O)=N/C1(c2ccc(F)cc2F)CCCCC1 329824257 BKBNYQOGMGAJCK-UHFFFAOYSA-N 352.381 2.940 30 50 FFEA N#Cc1ccc(N2CC[C@H](N3CCO[C@@H](c4cccc(F)c4)C3)C2=O)cc1 245403726 MTLHDOCGPLZSOR-VQTJNVASSA-N 365.408 2.876 30 50 FFEA Cc1c([C@@H]2CC2(C)C)nc(N)c(C#N)c1-c1ccc(OCC(N)=O)cc1 71774988 CTQGDMFWCCQETF-HNNXBMFYSA-N 350.422 2.889 30 50 FFEA CC(C)c1cc(C(=O)N2CC(=O)N(c3ccc(C#N)cc3)C[C@H]2C)no1 82136838 XSXITLZHUNMOIJ-CYBMUJFWSA-N 352.394 2.547 30 50 FFEA O=C(c1cccc(C#CCO)c1)N1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2 900768369 FWFTZKGJKJJUEY-SFTDATJTSA-N 361.441 2.685 30 50 FFEA C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)cc2OC)c2ccccc21 783757 VSXABBUDUVBLBN-OAQYLSRUSA-N 367.401 2.697 30 50 FFEA C=CCN(Cc1ccccc1C)C(=O)Cn1cnc2ccsc2c1=O 55200403 CRZQYUHCACRCDL-UHFFFAOYSA-N 353.447 2.981 30 50 FFEA CCn1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(C)n1 5728193 HKRJVOFQSXAULX-QGZVFWFLSA-N 357.454 2.988 30 50 FFEA O=C(C[C@H]1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1ccccc1F 14134963 RSKNQUAMQPFUQQ-PZUDMAOCSA-N 370.409 2.776 30 50 FFEA COc1ccccc1NC(=O)C[C@H]1S/C(=N\N=C2CCCC2)NC1=O 5486205 CUCHINYTBFICSV-CQSZACIVSA-N 360.439 2.541 30 50 FFEA C[C@H](NCc1cc(O)n2ncc(C#N)c2n1)c1cccc(Br)c1 2325849995 INKGAQFYPUJGFJ-JTQLQIEISA-N 372.226 2.920 30 50 FFEA C=CCN1C(=O)/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S 4713419 CIBWTVPKMCZJJE-LFYBBSHMSA-N 350.377 2.711 30 50 FFEA Cc1cc(-c2cc(-c3cccc(OCC(N)=O)c3)c(C#N)c(N)n2)c(C)o1 67725362 OLAVPSHRTJSYHJ-UHFFFAOYSA-N 362.389 2.943 30 50 FFEA Cc1ccc(CC/C(O)=N/CC(=O)N2CCN(C3CCCC3)CC2)cc1 329393660 UUSYBNGEUOZQRO-UHFFFAOYSA-N 357.498 2.971 30 50 FFEA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(O)=Nc1cnn(C)c1 328647999 UFZXOOLTAVADJA-JSGCOSHPSA-N 351.451 2.572 30 50 FFEA C[C@@H](OC1CCCCCC1)C(=O)NS(=O)(=O)c1cccc(F)c1C#N 159999089 YEKUJABHWAYUHC-GFCCVEGCSA-N 368.430 2.630 30 50 FFEA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ccc(C#N)cc1)C2 91745319 BSJSPBQEFDQQSB-RBUKOAKNSA-N 364.449 2.786 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1sc(NC)nc1C)CC2 91829908 CKBDFIZGXBLYHM-UHFFFAOYSA-N 362.499 2.524 30 50 FFEA COCCN(Cc1c(C)nn(C)c1C)C(=O)Nc1ccc(C#N)cc1F 96159768 KLKAAIRRHPOUJB-UHFFFAOYSA-N 359.405 2.728 30 50 FFEA C=CCN1C[C@H](c2nc(Cc3cccs3)nn2-c2cccnc2)CC1=O 820478077 QIVSKDZGGKPRRY-CQSZACIVSA-N 365.462 2.817 30 50 FFEA C[C@@H]1CN(c2cccc(Cl)c2)CCN1S(=O)(=O)CCCCC#N 864097405 RTXOJLXNCSRSQV-CQSZACIVSA-N 355.891 2.874 30 50 FFEA CC(C)(C)OC(=O)NCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 224901332 NGKGVDKSWLOSRW-UHFFFAOYSA-N 363.263 2.889 30 50 FFEA C=CCOc1ccccc1C(=O)N1CCN([C@@H](C)c2nc(CC)no2)CC1 112035386 RNDXWQPLNDFBHQ-HNNXBMFYSA-N 370.453 2.716 30 50 FFEA COc1ccccc1N1CCN([C@@H](C)/C(O)=N/c2nnc(C)s2)CC1 20018986 VGGQWTHWRZMEKC-LBPRGKRZSA-N 361.471 2.654 30 50 FFEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2nnc(C(C)(C)C)s2)C1 328610696 IWXGZLRRYNDDGP-HNNXBMFYSA-N 350.448 2.609 30 50 FFEA CC(C)[C@H]1CN(CCC(F)(F)F)C[C@@H]1NC(=O)c1ccc(C#N)nc1 91493553 YBKAMFWIMRQUFD-CABCVRRESA-N 354.376 2.592 30 50 FFEA CCN(CC)c1ccc(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 244899400 ZJFAFNLKQZZYEM-GFLQDLJJSA-N 363.461 2.920 30 50 FFEA COc1cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)ccc1O 32575678 AFHBGIZGQXTVFE-UNOMPAQXSA-N 356.403 2.866 30 50 FFEA CC(C)(O)C#Cc1ccc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2)s1 75995942 YZKXSKUCUDMTDY-RISCZKNCSA-N 364.474 2.736 30 50 FFEA COc1ccc(C#N)cc1NC(=O)CC1(C(=O)O)Cc2ccccc2C1 170619543 AHMOCPYANUDNHW-UHFFFAOYSA-N 350.374 2.765 30 50 FFEA N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1noc(-c2ccccc2)n1 193706060 HTMXUZHNNWWFSU-UHFFFAOYSA-N 374.809 2.740 30 50 FFEA COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C)c(OC)c1 12489374 UWBCSOCESAQVFA-QGZVFWFLSA-N 353.374 2.912 30 50 FFEA C[C@H](/N=C(\NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)C(=O)O 8753712 XJJYRBBPLOPBOW-NSHDSACASA-N 366.826 2.538 30 50 FFEA O=[S@@+]1(O)C[C@@H]2[C@H](C1)NC(=S)N2c1cc(C(F)(F)F)ccc1Cl 334158400 MBECCIKFSULBET-WCBMZHEXSA-P 371.813 2.777 30 50 FFEA Cc1nc[nH]c1CSCCNC(=O)c1cccc(C#CC(C)(C)O)c1 952975047 XSTNLMRWAWRBPA-UHFFFAOYSA-N 357.479 2.504 30 50 FFEA Cc1cc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)ccn1 225713509 VXDUUVOWRRLNCP-UHFFFAOYSA-N 352.213 2.825 30 50 FFEA COc1cc(C(=O)/C=C/Nc2ccccc2C(N)=O)cc(OC)c1OC 4574494 VCSXMRXAMYUXBM-CMDGGOBGSA-N 356.378 2.620 30 50 FFEA biogenic Cc1[nH]c(=N[C@H]2CN(C(=O)C3(F)CC3)Cc3ccccc32)ccc1C#N 1875407544 CGZSLVSEKSHHQB-KRWDZBQOSA-N 350.397 2.681 30 50 FFEA C#CCCC1(CCC(=O)N2CCC[C@@H](Cc3nc(C(=O)O)cs3)C2)N=N1 2325900828 KQOJMVPUSSQLGB-ZDUSSCGKSA-N 374.466 2.978 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(O)c1 4311955 XMQTYHSIIGHGAZ-KRWDZBQOSA-N 353.374 2.617 30 50 FFEA biogenic O=C1N/C(=N\N=C\c2ccccc2F)S[C@H]1Cc1cccc([N+](=O)[O-])c1 4996713 GBAJZGFOTIVNJV-RPJLVFAOSA-N 372.381 2.898 30 50 FFEA CC[C@@]12OC(=N)[C@@](C#N)([C@@H]1C)C(C#N)(C#N)[C@@H](c1cccc([N+](=O)[O-])c1)O2 136710031 IAGWJPOMLYEFDO-RNBONZGASA-N 365.349 2.960 30 50 FFEA CCCCCCCCCNC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 206240368 XOTZZVJEOJNKBN-QGZVFWFLSA-N 359.470 2.994 30 50 FFEA C#CCCC1(CCNC(=O)C[C@H]2Oc3ccc(Cl)cc3NC2=O)N=N1 2325893839 ILYFNOZAVVWFPS-CQSZACIVSA-N 360.801 2.511 30 50 FFEA C[C@@H](CC#N)NC(=O)c1cc(Br)c(O)c(Br)c1 126221272 YDGZBAADPVAEEP-LURJTMIESA-N 362.021 2.949 30 50 FFEA N#Cc1ccccc1N1CCN(C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)CC1 123304215 ODTJIOLUSBKPSX-SJBKTWHCSA-N 372.472 2.976 30 50 FFEA Cc1cc(C)c(C#N)c(-c2ccc(C(=O)N[C@@H](C)Cn3cncn3)cc2)n1 426715830 FZQRXZJTNNDCBR-HNNXBMFYSA-N 360.421 2.647 30 50 FFEA O=C1Oc2ccccc2C(=O)/C1=C\NC1CCN(Cc2ccccc2)CC1 828327145 CAPYXNGYOZZHRG-XMHGGMMESA-N 362.429 2.926 30 50 FFEA COc1cc(OC)cc(N2CC[C@@H](CNCc3cc(C#N)n(C)c3)C2)c1 191312820 MDPBCQFMNUXOCF-HNNXBMFYSA-N 354.454 2.530 30 50 FFEA Cc1nc(N2C[C@@H]3C[C@H](NC(=O)[C@H]4CC4(C)C)[C@H]3C2)c(Cl)cc1C#N 1875406009 USAKSKVBAWELLK-AYDFFVQHSA-N 358.873 2.902 30 50 FFEA CO[C@@H]1C[C@@H](COc2cccnc2)N(c2ncc(Cl)c(C)c2C#N)C1 886034154 YQINXYXRZHWOLW-DZGCQCFKSA-N 358.829 2.983 30 50 FFEA O=C(C#CC1(C(F)(F)F)CC1)N1CCC[C@@H](C(=O)N2C[C@H]3CC[C@H]2C3)C1 2325805532 OWYQJRYZHTYVBT-ZNMIVQPWSA-N 368.399 2.582 30 50 FFEA N#Cc1nc(-c2ccc(F)cc2)oc1N1CCN(C(=O)c2ccco2)CC1 6697649 YJGLOPFJLOITFT-UHFFFAOYSA-N 366.352 2.908 30 50 FFEA N#Cc1cc(C(=O)N2CCC(Cc3ncc[nH]3)CC2)cnc1C(F)(F)F 425311875 ZWQXAPCNISPHDR-UHFFFAOYSA-N 363.343 2.790 30 50 FFEA CCc1cnccc1C/N=C(/O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 329961615 OTOYUBQFEXSZSZ-MSOLQXFVSA-N 357.454 2.542 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H](O)C2)o1 210146373 RBNNDEVQCCTYNQ-MSOLQXFVSA-N 371.408 2.532 30 50 FFEA Brc1ccc(/C=N/Nc2cc(N3CCOCC3)ncn2)cc1 4947108 JTPUTYDRHYKYJR-VXLYETTFSA-N 362.231 2.522 30 50 FFEA COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCO)cc1 9110376 KERLSMVSKUSEIX-SFHVURJKSA-N 367.401 2.656 30 50 FFEA Cn1cc(N=C(O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3)c2)ccc1=O 328603909 HJMKHYSYVRRWGN-PKOBYXMFSA-N 364.405 2.937 30 50 FFEA O/C(=N/Cc1cscn1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 328630838 QGXLGXWFDSFJCA-HNNXBMFYSA-N 373.482 2.706 30 50 FFEA C#CCN(CC=C)C(=O)c1cc(COc2ccc(C(C)=O)cc2OC)on1 11933495 SXUICLFHMOJAKX-UHFFFAOYSA-N 368.389 2.726 30 50 FFEA C=CCOc1ccc2ccccc2c1C=C1C(=O)N(C)C(=O)N(C)C1=O 3133111 PEWLAMBDWPFJJF-UHFFFAOYSA-N 350.374 2.838 30 50 FFEA N#Cc1c(N)nc(NCCCn2ccnc2)nc1-c1ccc(Cl)cc1 214079793 NOBOEIFTBNJSGE-UHFFFAOYSA-N 353.817 2.950 30 50 FFEA Cc1c(Cl)cccc1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 192708887 MUZNDUCDNOGLTG-LBPRGKRZSA-N 355.829 2.661 30 50 FFEA CN(CCNC(=O)Cc1ccc2cnccc2c1)Cc1ccccc1C#N 2325867816 GPZCAJKKBURUAN-UHFFFAOYSA-N 358.445 2.897 30 50 FFEA COC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CN(C)CC2 20406624 BTBKGPGUMYPXFH-UHFFFAOYSA-N 359.476 2.935 30 50 FFEA CC(C)(C)C1CCC2(CC1)N=C(O)N(C/C(O)=N/Cc1cnc[nH]1)C2=O 329729019 HLBLWVBSWAIBAK-UHFFFAOYSA-N 361.446 2.598 30 50 FFEA CC(C)[C@@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)c1nccn1C 534675308 QKGKNYCTCIJARX-GOSISDBHSA-N 366.469 2.521 30 50 FFEA CCc1nc(SCC(=O)Nc2c(C)cc(C)cc2C)[nH]c(=O)c1C#N 5238963 WLJQQORUPWDJHH-UHFFFAOYSA-N 356.451 2.860 30 50 FFEA CN(CC(=O)Nc1ccc(F)c(C(N)=O)c1)c1ccc(Cl)cc1C#N 1857530866 CXRIRTHKQQLYBO-UHFFFAOYSA-N 360.776 2.525 30 50 FFEA CCCn1cnc2cc(C(=O)OCC)cc(B3OC(C)(C)C(C)(C)O3)c21 170008579 JMHIEEZWPZQPPE-UHFFFAOYSA-N 358.247 2.922 30 50 FFEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCC(F)(F)F)C2 14749384 YAGLUIPEVYXNGH-CYBMUJFWSA-N 370.419 2.704 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)N=N1 2325892306 IIAYYAGLWAQICD-SJLPKXTDSA-N 353.470 2.764 30 50 FFEA C=CCOC(=O)c1sc(NC(=O)COc2ccccc2F)nc1C 2665908 GYHURLQDTDHXJE-UHFFFAOYSA-N 350.371 2.951 30 50 FFEA Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)c1 123334970 QEVPUXGQEXBSMI-UHFFFAOYSA-N 373.453 2.825 30 50 FFEA C[C@H]1CN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)C[C@@H](C)O1 252695393 ZHQRYBIJOKTXQH-YEPMRCTPSA-N 363.498 2.623 30 50 FFEA biogenic C=C(C)COc1ccccc1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O 55281799 KGSHEQOQSZQATH-SFHVURJKSA-N 350.418 2.694 30 50 FFEA COCc1nc(N2CCC(C#N)(c3ccccc3)CC2)c2cnn(C)c2n1 72153180 HGCRUIGIVYCCCG-UHFFFAOYSA-N 362.437 2.571 30 50 FFEA C#CCCC1(CCC(=O)NCc2nnc(-c3ccncc3F)s2)N=N1 2325886043 BPGAYLNHJCUZBU-UHFFFAOYSA-N 358.402 2.711 30 50 FFEA C/C(O)=N/C(C)(C)c1noc([C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)n1 329589886 NKYAQUYWFHVBMC-HUUCEWRRSA-N 358.398 2.552 30 50 FFEA COC(=O)c1cc(-c2c(C#N)c(N)nc3c2CN(C(C)C)CC3)cs1 72144691 JUDSJFJCBBDADP-UHFFFAOYSA-N 356.451 2.817 30 50 FFEA Cc1cc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C)nn1CCC#N 284811211 NPWSHIASGDJAIM-CRAIPNDOSA-N 351.454 2.812 30 50 FFEA C=CCC1(OC)CCN(C(=O)Nc2cccc(NS(C)(=O)=O)c2)CC1 95509099 NDOOYPFRCFUIFL-UHFFFAOYSA-N 367.471 2.647 30 50 FFEA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1c(O)ccc2ccccc12)[C@@H]1C[C@@H]31 252428624 QQRCACCILUTOLS-RNOWTZCBSA-N 358.397 2.932 30 50 FFEA C=CCNC(=O)NC[C@@H]1C[C@](C)(CO)N(CC)[C@@H]1c1ccc(Cl)cc1 1565526053 OQBFDVMZEQAWDW-KVSKMBFKSA-N 365.905 2.959 30 50 FFEA C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)CC)c(OC)c2)C(=O)NC1=S 1154677 HAIOJKTTZGAVPL-HLVNSREUSA-N 374.462 2.685 30 50 FFEA C#CCCC1(CCNC(=O)c2c(C(F)(F)F)nc3n2CCCC3)N=N1 1875368675 JWVQBFCRMBCFSA-UHFFFAOYSA-N 353.348 2.934 30 50 FFEA COc1ccc(-c2nc(C#N)c(N3CC[C@@H](c4nc(C)no4)C3)o2)cc1 1857799315 WFIAHOUFLSXNQF-CYBMUJFWSA-N 351.366 2.907 30 50 FFEA C=Cc1ccc(C(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc1 2325868099 OXJUCZXMIDTCGV-UHFFFAOYSA-N 359.429 2.728 30 50 FFEA C=C(C)Cn1c(SCCCCCC)nc2c1c(=O)n(C)c(=O)n2C 2072122 YBCBWVLGPPNDMI-UHFFFAOYSA-N 350.488 2.682 30 50 FFEA COC[C@H]1CCCN1Cc1ccc(C(=O)Nc2ccc(C#N)cn2)cc1 65429400 ZZZQHPYYTVPOHI-GOSISDBHSA-N 350.422 2.816 30 50 FFEA O=C([C@H]1CCCN(/C(O)=N/Cc2ccn(C3CCCC3)n2)C1)N1CCCC1 330348294 IOVRNVUPVXVMFR-INIZCTEOSA-N 373.501 2.747 30 50 FFEA Cc1c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c2ccccc2n1C 245226720 JMKLJPSHWBKORH-OJUQCPHYSA-N 359.429 2.874 30 50 FFEA CC[C@H](NC(=O)c1cccc(C#CC(C)(C)O)c1)c1cn2cccnc2n1 1506418161 OAFMOVUGJCWDHN-KRWDZBQOSA-N 362.433 2.733 30 50 FFEA CO[C@H](C/N=C(/O)N1CCC[C@H](NC(C)=O)C1)c1ccc(Cl)cc1 330984771 PKEHNUMNBLEQEJ-JKSUJKDBSA-N 353.850 2.542 30 50 FFEA CCN(CCNC(=O)c1ccc(C(C)(F)F)cc1)c1ccc(C#N)nn1 1875327683 GEELNLFLQCPHEL-UHFFFAOYSA-N 359.380 2.716 30 50 FFEA N#Cc1c(N)nc2c(c1-c1c[nH]nc1-c1ccc(Cl)cc1)CNCC2 72150447 JMZRILTUIFNTPX-UHFFFAOYSA-N 350.813 2.892 30 50 FFEA C=CCN1C(=O)/C(=C/c2cccc(OC)c2OCC(=O)O)SC1=S 15016522 OTUJBFHNEOZVNK-WQLSENKSSA-N 365.432 2.546 30 50 FFEA COc1ccc(/C=N/N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 4991594 LBKLOIVOEVNIJT-LICLKQGHSA-N 360.326 2.991 30 50 FFEA CN(C)c1ccc(N[C@@H]2CCCN(/C(O)=N/C3CCOCC3)CC2)cn1 328655227 YETQEGKYWDIBME-OAHLLOKOSA-N 361.490 2.507 30 50 FFEA Cc1cc(C)n(C/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328637494 VZXIUJWWVKCDFB-GFCCVEGCSA-N 355.364 2.934 30 50 FFEA O=C1/C(=N\Nc2ccccc2Cl)c2ccccc2N1CN1CCOCC1 100912344 MLSPQTBTUDCLHJ-PYCFMQQDSA-N 370.840 2.793 30 50 FFEA C=CC(=O)N1CCC(N(Cc2ccccc2C#N)C2CCC(O)CC2)CC1 1875387271 YXQGTZBGQXLLOX-UHFFFAOYSA-N 367.493 2.841 30 50 FFEA CSCc1ccc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C#N)cc2)o1 223140695 GIAULOGYAPIEEZ-IAGOWNOFSA-N 372.446 2.981 30 50 FFEA C=CCn1c(S)nc(=O)c2c(C(=O)O)cc(-c3ccc(C)cc3)nc21 20615921 UNPILKQPQYWFMH-UHFFFAOYSA-N 353.403 2.940 30 50 FFEA C[C@@H]1CN(c2ccccc2C#N)C(=O)CN1Cc1noc(C2CCCC2)n1 426552296 HHECBSKNTDSBOG-CQSZACIVSA-N 365.437 2.836 30 50 FFEA COc1ccc(/C=N/N=C2\CC(C)(C)Cc3n[nH]c(=O)cc32)cc1OC 9333946 YUBUQHYPNILJLC-FENOTYGDSA-N 354.410 2.583 30 50 FFEA N#CCn1cc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cn1 139625323 BPJZRDCTRAYTPR-UHFFFAOYSA-N 371.198 2.812 30 50 FFEA CC(C)c1noc([C@@]23CCC[C@@H]2CN(C(=O)c2ccc(C#N)cn2)C3)n1 328603954 HUCPWPPYUMDGPK-AUUYWEPGSA-N 351.410 2.654 30 50 FFEA C=C(C)CN(C)c1ccc(C(=O)N2CCC[C@H](Cn3ccnc3)C2)cn1 19144159 HEUBZNXIHYTIIL-QGZVFWFLSA-N 353.470 2.843 30 50 FFEA COc1ccc([C@@H](CN/C=C2\C(=O)Oc3ccccc3C2=O)N(C)C)cc1 824654571 NPJOCTYPJCHBGQ-XUDLPTGHSA-N 366.417 2.573 30 50 FFEA N#Cc1ccc(-c2ccc(C(=O)NCCN3CCCC[C@@H]3CO)cc2)cc1 426734157 SKHDZIWCNAIJAR-OAQYLSRUSA-N 363.461 2.802 30 50 FFEA N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3[C@H]4CCc5ccccc5[C@@H]43)CC2)c1 269478270 PXCHXLZQMUHUSB-SESVDKBCSA-N 373.460 2.513 30 50 FFEA COc1nc(N(C)Cc2cccc(C#N)c2)nc(N2CCCCCC2)n1 301590371 SVRARIFUGAWSFK-UHFFFAOYSA-N 352.442 2.769 30 50 FFEA CN(Cc1cccc(C(=O)Nc2sccc2C#N)c1)Cc1nncn1C 67642143 DJRZFHQHUAKQBG-UHFFFAOYSA-N 366.450 2.633 30 50 FFEA CC(C)(CC#N)CS(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1 331323465 LPJOJEUJCAXXLN-UHFFFAOYSA-N 369.918 2.727 30 50 FFEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(C#N)(c4ccccn4)CC3)n[nH]c21 1857529064 KUNDRDYJSNXIGX-KGLIPLIRSA-N 365.437 2.524 30 50 FFEA C=CCN(C(=O)[C@@H]1CC(C)(C)Oc2ccccc21)[C@H]1CCS(=O)(=O)C1 412218281 RKDIIOLWLMBYQK-GOEBONIOSA-N 363.479 2.533 30 50 FFEA CCn1c(SCC(O)=Nc2nn[nH]n2)nnc1-c1cccc(Cl)c1 328598953 PLHXHVOKVJYJCB-UHFFFAOYSA-N 364.822 2.512 30 50 FFEA C[C@@H]1CN(C)C[C@H](c2nnc(-c3ccc(N4CCCC4)c(C#N)c3)o2)O1 888078995 TUZZOGTUNMDYCR-CXAGYDPISA-N 353.426 2.600 30 50 FFEA N#Cc1ccnc(S(=O)(=O)N2CCC[C@@H]2Cc2cccc(F)c2F)c1 2325782526 DMJDJDIUSMEMEA-CQSZACIVSA-N 363.389 2.627 30 50 FFEA N#Cc1c[nH]c(C(=O)N2CCC[C@]23CCCN(Cc2ccccc2)C3=O)c1 2356154237 NQBJZFNCTOVTQY-NRFANRHFSA-N 362.433 2.684 30 50 FFEA CN(C)P(=N[P@@+]1(NC(C)(C)C)NCCCN1C)(N(C)C)N(C)C 71771926 SDSPQCWIJHBQQU-QFIPXVFZSA-N 366.455 2.608 30 50 FFEA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C#N)C1 17072707 ACHPLJCTRGJGJD-SNVBAGLBSA-N 350.440 2.810 30 50 FFEA C[C@H]1c2cccc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)c2O[C@@H]1C 170630557 RVHZMVMTYCDVNO-CHWSQXEVSA-N 370.430 2.702 30 50 FFEA Cc1noc([C@@H](NCc2ccc(O[C@@H](C)C#N)cc2)C2CCOCC2)n1 328619485 FVWWDSVMOFYINJ-UGSOOPFHSA-N 356.426 2.926 30 50 FFEA C[C@H](c1ccccc1)N1CC[C@H](N/C(O)=N/[C@@H]2CCc3c[nH]nc3C2)C1 329867675 WIVGPPKZWRDDDT-OLMNPRSZSA-N 353.470 2.606 30 50 FFEA COCCOc1ccc(C(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)cc1 170610384 VOTVJZQHCFJKPW-KRXBUXKQSA-N 353.374 2.939 30 50 FFEA Cc1nn(CC(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1[N+](=O)[O-] 797429 MAMBWVDSHNYAGJ-UHFFFAOYSA-N 359.411 2.859 30 50 FFEA C#CCCC1(CCC(=O)N2CCC(n3c(O)nc4cccnc43)CC2)N=N1 2325892453 OAKOOPAJRSLBPS-UHFFFAOYSA-N 366.425 2.656 30 50 FFEA COC(=O)c1cc(I)c(C#N)cc1Br 263624379 PXKMLAJBWDIVKF-UHFFFAOYSA-N 365.952 2.712 30 50 FFEA CCC1=NO[C@@H](CNC(=O)c2cccc(-c3cnc4c(C#N)cnn4c3)c2)C1 534672335 USCCRQJIKJHPNX-GOSISDBHSA-N 374.404 2.553 30 50 FFEA CC(C)(C)N1C[C@H](N/C(O)=N/Cc2ccsc2Br)CC1=O 330407758 ZWGDBGSYVNPZNO-SNVBAGLBSA-N 374.304 2.914 30 50 FFEA CCCC(=O)N1CCc2nc(N)c(C#N)c(-c3ccc(C(=O)O)cc3)c2C1 72151808 XUGQTCUPJVYFST-UHFFFAOYSA-N 364.405 2.585 30 50 FFEA N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)CC3CCCC3)C2)c(F)c1 330077286 MWQQWVKWYCVNQZ-INIZCTEOSA-N 365.474 2.776 30 50 FFEA C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO 71770506 ZYTXTXAMMDTYDQ-WVVIQBKKSA-N 356.462 2.753 30 50 FFEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)Cc2ccc(F)cc2)cc1 223880465 DBLJZVMWWJSALQ-RTBURBONSA-N 354.381 2.593 30 50 FFEA C[C@H]1CN(c2ccccc2C#N)C(=O)CN1Cc1ccc2nsnc2c1 82121568 MDTOMUNOJOJTQO-ZDUSSCGKSA-N 363.446 2.800 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)NCCCn2ncc3ccccc32)c1 952963518 KQETVIOKVLTVGS-UHFFFAOYSA-N 361.445 2.979 30 50 FFEA COc1cncc(NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 169794056 SMZCWXDCKVKEMX-UHFFFAOYSA-N 350.224 2.736 30 50 FFEA in-vitro Cc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccc(O)cc2)NC1=O 12338839 RKUWCNXWGUDJSU-HNNXBMFYSA-N 355.419 2.949 30 50 FFEA Cc1[nH]c(-c2cc(-c3ccc(O)c(O)c3)c(C#N)c(N)n2)c(C)c1C(=O)O 71639627 IXNXEOHNBSUJEP-UHFFFAOYSA-N 364.361 2.924 30 50 FFEA Cc1nsc(N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c1C#N 291017540 DDKMNVPPJKUXQO-UHFFFAOYSA-N 365.462 2.777 30 50 FFEA C=CCN1CC[C@H](CNC(=O)N2CCC(c3nc(C(C)C)no3)CC2)C1 584901545 CHOJPDUGCNKAGJ-OAHLLOKOSA-N 361.490 2.590 30 50 FFEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](N(C)Cc1cccs1)C2 14748483 GPZMYXHFFAIKCS-CQSZACIVSA-N 358.511 2.822 30 50 FFEA CN=C(NCCc1ccc(OC(C)(C)C)cc1)NCCc1cncnc1 1875347934 YWRUQEWELAFARO-UHFFFAOYSA-N 355.486 2.604 30 50 FFEA C=C[C@@H]1OCC[C@H]1CNC(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2 875681014 NVTCEVNMBHKRDO-WNHJNPCNSA-N 356.466 2.802 30 50 FFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(OC)c1 2055252 OZCRNIGHFYEONV-IBGZPJMESA-N 371.433 2.853 30 50 FFEA C=CCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C)cc1 4697694 WZBBHBPOEGWWHM-AQTBWJFISA-N 365.389 2.976 30 50 FFEA CN(C/C(O)=N/C1CCOCC1)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328636849 OHCGWIIGFMMWJB-HOCLYGCPSA-N 369.506 2.728 30 50 FFEA COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/CC(C)(C)O 328605922 PUBFXLISQASXDS-GUYCJALGSA-N 359.426 2.686 30 50 FFEA COc1cc(/C=N/n2c(S)nnc2COc2ccccc2)ccc1O 1475906 FKSYNCHVNVMPMV-VCHYOVAHSA-N 356.407 2.742 30 50 FFEA COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(S)[nH]c(=O)c21 6459061 BSPGRCAHAKHVSW-CYBMUJFWSA-N 355.419 2.632 30 50 FFEA C=CCO[C@H]1[C@H]2OC(C)(C)O[C@@H]2[C@@H](COCc2ccccc2)O[C@H]1OC 101083800 URZWLLVLOQIALO-ZSXDVEMLSA-N 364.438 2.666 30 50 FFEA Cn1ccnc1[C@@H]1CCN(C(O)=Nc2cc(Br)ccn2)C1 329065452 WDLHXPQAACRKRJ-SNVBAGLBSA-N 350.220 2.613 30 50 FFEA CCCOc1ccccc1C(=O)N1CCN(c2ccc(C#N)cc2)C(=O)C1 82107907 STQWFUKIKBCRRQ-UHFFFAOYSA-N 363.417 2.836 30 50 FFEA CS(=O)(=O)N(Cc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 2356142194 IAVVZIBELIXTDD-UHFFFAOYSA-N 352.419 2.710 30 50 FFEA N#Cc1ccsc1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 328627364 MSLJTCSXPBDALA-HNNXBMFYSA-N 368.462 2.908 30 50 FFEA Cc1csc(-c2cc(-c3cnc(NCC(=O)O)nc3)c(C#N)c(N)n2)c1 71746821 HDLYLKVEBLLDIB-UHFFFAOYSA-N 366.406 2.526 30 50 FFEA N#C[C@H]1CCCN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)C1 91966433 WTXNBGXMDDHQRA-BUBBNXEVSA-N 366.465 2.613 30 50 FFEA C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCn3nc(C(=O)NC4CC4)cc3C1)C2 74502725 HHMNUURKLFVDCU-SPLOXXLWSA-N 368.481 2.500 30 50 FFEA O/C(CN1CCN(c2ccc(F)cc2)CC1)=N\c1nnc(C2CC2)s1 19855072 ZFYGWENESQCSAM-UHFFFAOYSA-N 361.446 2.965 30 50 FFEA C#CCN(CC=C)Cc1cnc(S(=O)(=O)CC2CCC2)n1CCCC 20207054 IBUHRWIVANVHDZ-UHFFFAOYSA-N 363.527 2.878 30 50 FFEA OC1=NC[C@@H]2CN(/C(O)=N/[C@@H]3CC=C(c4ccc(F)cc4)CC3)CCN12 329268844 GRRFVSYYKBBLKC-IAGOWNOFSA-N 358.417 2.589 30 50 FFEA N#Cc1ccc(CN2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)cc1 71388696 LYALMOPXCHNUQT-UHFFFAOYSA-N 373.460 2.871 30 50 FFEA C#CCCC1(CCC(=O)N2CCC[C@@H](C(=O)Nc3ccc(O)cc3)C2)N=N1 2325900318 TYSBPXVAZQQIJU-OAHLLOKOSA-N 368.437 2.925 30 50 FFEA C#Cc1cccc(N=C(O)N2CC(S(=O)(=O)c3ccccc3F)C2)c1 328596761 ZKGBZRQCECODBB-UHFFFAOYSA-N 358.394 2.511 30 50 FFEA COc1ccc(OC)c([C@@H]2O[C@@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@@H]3C)c1 226966233 AWPUFUSRPAOQJY-WNJVKZLLSA-N 366.377 2.678 30 50 FFEA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)c1nnc(C)c(C)c1C#N 275552662 VNNKDGGVEDOVJJ-GJZGRUSLSA-N 374.489 2.779 30 50 FFEA Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1cn[nH]c1 113893121 OEIQLJNDIVABKY-SFHVURJKSA-N 354.458 2.823 30 50 FFEA Cc1cc(C)c(C#N)c(N2CCN(Cc3ccccc3C(=O)O)CC2)n1 65381382 QIUFGRUHAIRUEE-UHFFFAOYSA-N 350.422 2.591 30 50 FFEA N#Cc1cccc(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)n1 72417806 KCWZSDMMYOJMJD-NRFANRHFSA-N 361.449 2.757 30 50 FFEA CO[C@@]1(/C(O)=N/Cc2nc3cc(Br)ccc3o2)CCOC1 329208074 YOXKGPRYABJHIZ-AWEZNQCLSA-N 355.188 2.852 30 50 FFEA OC(=Nc1cnns1)N1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 330256172 KKHUWEGKYONRQB-GHMZBOCLSA-N 358.345 2.910 30 50 FFEA CC1(C)CC(=O)C(=C2NC(=O)C(c3ccccc3)(c3ccccc3)N2)C(=O)C1 136622692 QZFSHYQJJKBCQW-UHFFFAOYSA-N 374.440 2.819 30 50 FFEA CN(C)C=Nc1ccc(S(=O)(=O)c2ccc(N=CN(C)C)cc2)cc1 252637440 XTFUZNKOLZFZEW-UHFFFAOYSA-N 358.467 2.962 30 50 FFEA CN1CCN(Cc2ccc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)cc2)CC1 277621303 WGAYZNPUMMIYSD-IBGZPJMESA-N 354.498 2.588 30 50 FFEA Cc1nc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)N[C@@H]2C=CCCC2)cs1 328643547 RJTBMYSOTLWBQP-LZWOXQAQSA-N 352.479 2.976 30 50 FFEA COc1ccc(-c2cc([C@H]3CCOC3)c(C#N)c(N)n2)c(OC)c1OC 67724379 ZBFCPJNWVBZCJQ-NSHDSACASA-N 355.394 2.732 30 50 FFEA CC(=O)C1=C(O)C(=O)N(c2ccc(OCC(=O)O)cc2)[C@@H]1c1ccccc1 4576380 CJQVDNYZDSSPEY-GOSISDBHSA-N 367.357 2.639 30 50 FFEA O=C(C1CCC1)N1CSC[C@H]1C(O)=Nc1nncn1-c1ccccc1 329307718 YLPOGNRAYORYQR-AWEZNQCLSA-N 357.439 2.557 30 50 FFEA N#Cc1cncc(N[C@@H]2CCc3cn(CCCC(F)(F)F)nc3C2)n1 1875294678 MVLDGRJHVYTTLL-GFCCVEGCSA-N 350.348 2.857 30 50 FFEA C#CCCC1(CCNC(=O)c2nnn(-c3cccc4cnccc34)c2C)N=N1 1875381213 NSNOWHJGAKIBEG-UHFFFAOYSA-N 373.420 2.819 30 50 FFEA N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC2CSCCSC2)cc1 1565516325 TXGLIDILKOOFCF-IRXDYDNUSA-N 350.509 2.533 30 50 FFEA Cc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Br 100561471 FRPWETCRLJWQDS-LHTWWQHYSA-N 359.223 2.899 30 50 FFEA CCOC(=O)c1cc(C)nn1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 170005229 SYIIPQFRDXQLSH-UHFFFAOYSA-N 356.231 2.657 30 50 FFEA CC(=O)C1(c2ccccc2)CCN(C(=O)c2cnc(O)c(C#N)c2C)CC1 72427823 CCSOSKWAHSRFOR-UHFFFAOYSA-N 363.417 2.730 30 50 FFEA CCCN1CCC[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 426719848 KJKVPCJCHKELQQ-SFHVURJKSA-N 369.513 2.512 30 50 FFEA Cc1nc(N2C[C@H]3[C@@H](NC(=O)[C@@H]4CC4(C)C)C[C@H]3C2)c(Cl)cc1C#N 1875406010 USAKSKVBAWELLK-FQLMCAECSA-N 358.873 2.902 30 50 FFEA C[C@@](CO)(c1ccc(Br)cc1)N1CCN(CCCC#N)CC1 1473858900 ZUIKQSOIEYQHMW-QGZVFWFLSA-N 366.303 2.578 30 50 FFEA CCn1ccnc(N2CCC(/N=C(/O)CCc3ccc(C)o3)CC2)c1=O 328654215 XIAXWUQNSVAHMU-UHFFFAOYSA-N 358.442 2.723 30 50 FFEA COC(=O)C[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc(O)cc1 217749443 NVOQKBOWIRAJIZ-OAHLLOKOSA-N 352.342 2.930 30 50 FFEA biogenic C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)NCCF)nc2c1=O 72439181 ZOPVTEIPQZIUSO-UHFFFAOYSA-N 374.803 2.702 30 50 FFEA O=C1N/C(=C\c2ccc(Br)cc2)C(=O)/C1=C/N1CCCCC1 1196127 QCOWEDRBBXGORH-BOSGCFSHSA-N 361.239 2.859 30 50 FFEA C=CCN1C(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)NC1=S 12343653 FTLNEJOSOWSWNH-YWEYNIOJSA-N 357.218 2.512 30 50 FFEA O=C(O)COc1ccccc1/C=N/n1c(S)nnc1-c1ccc(F)cc1 2375943 JZHSWCOKTNEEMW-DJKKODMXSA-N 372.381 2.719 30 50 FFEA Cc1cc(-c2cc(-c3c(C)nn(CC(=O)O)c3C)nc(N)c2C#N)oc1C 71762260 MZNLDWYEDUANDW-UHFFFAOYSA-N 365.393 2.977 30 50 FFEA CCc1cc(C#N)ccc1NC(=O)N[C@H]1CCCN(c2cnccn2)C1 95505907 IYVSJECWFMWFGZ-INIZCTEOSA-N 350.426 2.701 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)NCc2cc(-c3ccco3)on2)cc1 65433104 CXQKWKHHRATLSM-UHFFFAOYSA-N 350.374 2.987 30 50 FFEA CO[C@H]1CN(Cc2ccc(C#CC(C)(C)O)cc2)C[C@H]1Cc1cc(C)no1 1704348730 AXZSIMRTAVTWRO-CTNGQTDRSA-N 368.477 2.795 30 50 FFEA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3cc(F)cc(C#N)c3)C[C@H]12 1857713444 JNVIIBHEYBHLOW-ZUXXIDCJSA-N 356.397 2.771 30 50 FFEA Cc1ccc([C@]23C[C@@H]2CN(C(=O)C(=O)N2CCC[C@](C)(CC#N)C2)C3)cc1 2325807338 SHVXESCCMOQELZ-STZQEDGTSA-N 365.477 2.637 30 50 FFEA N#CC1(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)O)CCOCC1 124438157 CHZLTWCWMUXTAD-GOSISDBHSA-N 366.417 2.520 30 50 FFEA CN(C)[C@H](C(=O)N1CCN(c2ccccc2C#N)CC1)c1ccc(F)cc1 95354455 CMZQMAPIQGCPLT-FQEVSTJZSA-N 366.440 2.649 30 50 FFEA O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 5483736 KTDRPKOFZFSWDJ-MRXNPFEDSA-N 357.793 2.911 30 50 FFEA COc1cc(C#N)ccc1CN(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328646682 SUNSQMFPJCFMFZ-GHTZIAJQSA-N 367.497 2.815 30 50 FFEA Cc1ccncc1N=C(O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328633049 SIEJXKXJIMKPPS-MAUKXSAKSA-N 356.474 2.684 30 50 FFEA N#Cc1ccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(Cl)c1 438819346 MDZAHTQSJNHAJY-IBGZPJMESA-N 367.792 2.941 30 50 FFEA C/C(=N\NC(N)=S)c1cc([N+](=O)[O-])c(-c2ccc([N+](=O)[O-])s2)s1 16514214 CMMHBTVGLQNGAE-WLRTZDKTSA-N 371.425 2.850 30 50 FFEA CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)c(C#N)c2)C12CCC2 153722206 YHTDBINCCWUNMK-JKSUJKDBSA-N 352.431 2.666 30 50 FFEA COc1ccc([C@H]2C[C@@H]2c2nc(C#N)c(N3CCCN(C)CC3)o2)cc1 1857798734 MCASJBAYUPORNU-SJORKVTESA-N 352.438 2.968 30 50 FFEA C#CCCC1(CCC(=O)Nc2cn3cc(Br)ncc3n2)N=N1 2325892252 GDVCAAZMJTWMSJ-UHFFFAOYSA-N 361.203 2.786 30 50 FFEA CCn1cc(CN2C[C@@H](NC(C)=O)[C@H](c3ccc(C)cc3)C2)cc1C#N 77438386 NVVXEBXSUCCTDP-LEWJYISDSA-N 350.466 2.792 30 50 FFEA CN(CC(O)=Nc1nncs1)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328639486 PONWPYCTCDLONC-RYUDHWBXSA-N 369.491 2.732 30 50 FFEA O=C([C@H](Cc1ccccc1)/N=C(/O)[C@H]1CCC(F)(F)C1)N1CCOCC1 330130172 FEVWSATUMCEUGP-HOTGVXAUSA-N 366.408 2.848 30 50 FFEA N#Cc1cc(Cl)ccc1CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 185252785 OMKBWSKCCVGTFO-LJQANCHMSA-N 367.792 2.941 30 50 FFEA CC(C)Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)on1 1565510137 YFNLTVTYXFQJQM-HKUYNNGSSA-N 369.421 2.711 30 50 FFEA C=CCNC(=O)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 12209791 HGKBVFDZSNGESY-INIZCTEOSA-N 368.481 2.811 30 50 FFEA Cn1cc(C2CCN(S(=O)(=O)c3ccc(C4(C#N)CC4)cc3)CC2)cn1 2325775871 OOTPLXBMRSMONO-UHFFFAOYSA-N 370.478 2.544 30 50 FFEA Cc1cncc(N=C(O)N2CCC[C@H](N(C)Cc3noc(C)n3)CC2)c1 328648428 UNHDMNNRZRXUSI-INIZCTEOSA-N 358.446 2.613 30 50 FFEA CCc1cc(C#N)ccc1NC(=O)N1CCCO[C@@H](CN2CCCC2)C1 95502484 KLFKYYMTTQTQIU-SFHVURJKSA-N 356.470 2.839 30 50 FFEA C=CCN1CC[C@@]2(CCC1=O)CN(C(=O)Nc1ccccc1F)CCN2C 95354107 LXBPNFJTVWNHJV-FQEVSTJZSA-N 374.460 2.542 30 50 FFEA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cc(C#N)cn2C)CC1 1704299384 OUKWUINVARKZBY-UHFFFAOYSA-N 365.433 2.610 30 50 FFEA N#Cc1ccc(C2(C(=O)N3CCC[C@H](N4CCCCC4=O)C3)CC2)cc1 373554855 CYKVYVISPGUSKB-SFHVURJKSA-N 351.450 2.593 30 50 FFEA COc1cccc(C[C@@H](C)/N=C(/O)N2CCC(CC(=O)N(C)C)CC2)c1 330779934 WPNIJBWKLLWQNU-OAHLLOKOSA-N 361.486 2.731 30 50 FFEA Cc1cc(NC(=O)c2sccc2C#N)nc2nc(C(F)(F)F)nn12 128032155 CIUKFTIIANSURH-UHFFFAOYSA-N 352.301 2.637 30 50 FFEA CN1CCN([C@H]2CCN(C(=O)c3cccc(-c4ccccc4C#N)c3)C2)CC1 426730259 BMLMPVPOZNHCFC-NRFANRHFSA-N 374.488 2.687 30 50 FFEA N#Cc1ccc(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cc1 82126861 NUTHHNJCGDGBCL-UHFFFAOYSA-N 363.465 2.577 30 50 FFEA Cc1cc(-c2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cc2)nc(C)c1C#N 534647823 IJPPDHZZKJOSFD-KRWDZBQOSA-N 362.433 2.575 30 50 FFEA COc1ccccc1N1CCN(/N=C/c2cc(OC)c(O)c(OC)c2)CC1 1477315 VOTFODZYDPTJJL-KGENOOAVSA-N 371.437 2.574 30 50 FFEA COc1ccc2c(c1)OCC/C2=N/OC(=O)c1ccc(OC)c([N+](=O)[O-])c1 4851320 PNXILNPGVFFLPX-RGEXLXHISA-N 372.333 2.956 30 50 FFEA C#CCCC1(CCNC(=O)c2ccc(NCc3cnn(C)c3)cc2)N=N1 2325891554 NYLSMOITLKZRDO-UHFFFAOYSA-N 350.426 2.728 30 50 FFEA C=CCN1CC[C@]2(CCC1=O)CN(CCSc1ccccc1)CCN2C 107414012 KAALUDFUFCWHKB-OAQYLSRUSA-N 373.566 2.963 30 50 FFEA COc1nccc(N2CCC[C@](CO)(Cc3ccccc3F)C2)c1C#N 67789128 MPFDRZUBFAYSCI-FQEVSTJZSA-N 355.413 2.923 30 50 FFEA CCNC(=O)[C@@H]1CCN(C(=O)c2cccc(-c3cc(C#N)ccc3O)c2)C1 534670390 BENVNPWAVOCJML-QGZVFWFLSA-N 363.417 2.529 30 50 FFEA CN(C(=O)C1=CC(=O)CC(C)(C)O1)[C@@H]1CCCN(Cc2ccccc2F)C1 12453163 KIVIWCWCLQUJHO-MRXNPFEDSA-N 374.456 2.900 30 50 FFEA Cc1ccc(N2CCC[C@H](/N=C(/O)Cc3ccc4c(c3)CCO4)C2)nn1 329549249 CLEYNADPYMRBQZ-KRWDZBQOSA-N 352.438 2.888 30 50 FFEA Cn1c(CN2CCCC2)nnc1C1CCN(Cc2cccc(C#N)c2)CC1 77321862 DUWYSWUDINJWIR-UHFFFAOYSA-N 364.497 2.662 30 50 FFEA C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1C#N 284585659 OKVQLYIMKGQDRI-WWGRRREGSA-N 355.360 2.728 30 50 FFEA N#Cc1cccc(CN2CCn3nc(CNC(=O)C4CCCC4)cc3C2)c1 299797960 RFSBUWIHEVNBKW-UHFFFAOYSA-N 363.465 2.577 30 50 FFEA N#Cc1cccc(NC(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)c1 1565515509 YPYXMUGKSOWLSZ-QAPCUYQASA-N 352.438 2.813 30 50 FFEA C=CCc1cc(CN2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)ccc1OC 1529167969 UOEMDONIGJSJFR-CTNGQTDRSA-N 358.482 2.795 30 50 FFEA OCC[C@@H]1CN(CC#Cc2ccccc2)CCN1Cc1ccc(F)cc1 20205988 VWUCBXXXIYMUNT-JOCHJYFZSA-N 352.453 2.746 30 50 FFEA C=CCN1CCN(C(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 20311723 CGVZDMLZBOJVMG-CYBMUJFWSA-N 353.260 2.547 30 50 FFEA CCc1nc(C)c(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)s1 218126550 QMTLCJOGTOHFOE-HZPDHXFCSA-N 371.462 2.852 30 50 FFEA N#Cc1cc(F)ccc1CS(=O)(=O)N1CCCN(c2ccccc2)CC1 296669895 GRCRVIGHSPLJRD-UHFFFAOYSA-N 373.453 2.739 30 50 FFEA N#Cc1ccc(O[C@@H]2CCN(C(=O)CCc3ccc(F)cc3F)C2)nc1 370667860 QLEYPSCCTIJNBZ-MRXNPFEDSA-N 357.360 2.844 30 50 FFEA C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccncc1 6317557 AWXXEKSGPLGXPY-UHFFFAOYSA-N 368.418 2.912 30 50 FFEA C[C@H](Oc1ccc(-c2c(C#N)c(N)nc3c2N2CCC3CC2)cc1)C(=O)O 102147371 ONQHJPAOUNEFLP-NSHDSACASA-N 364.405 2.752 30 50 FFEA C=CCN(Cc1ccccc1F)C(=O)CCCCCCS(N)(=O)=O 253418056 ZLNLQCOADJUXKA-UHFFFAOYSA-N 356.463 2.579 30 50 FFEA Cc1ccc2c(c1)/C(=N/Nc1nnc3c(n1)[nH]c1ccc(C)cc13)C(=O)N2C 5619036 NUZXNDQCTZEPBI-ULJHMMPZSA-N 371.404 2.916 30 50 FFEA Cc1nnc(/N=C(\O)CN2CCN(Cc3ccccc3Cl)CC2)s1 20427244 ONHVILZBWFFDKG-UHFFFAOYSA-N 365.890 2.906 30 50 FFEA N#Cc1ccc(C(=O)N[C@@H]2CC(=O)N(Cc3cccc4ccccc34)C2)cn1 72159263 YRPKHZSHLPMZQQ-LJQANCHMSA-N 370.412 2.637 30 50 FFEA COC(=O)c1ccc(/C=N/N2CCN(c3ccccc3OC)CC2)cc1 1193434 CITIJNYYTQFTFG-RCCKNPSSSA-N 353.422 2.638 30 50 FFEA CN(C)CCn1cnc2cc(N=c3[nH]c4c(cc3C#N)C(=O)CCC4)ccc21 2325780920 XYSMQJKPBUDOPJ-UHFFFAOYSA-N 374.448 2.549 30 50 FFEA CCc1ccccc1N(CC(=O)Nc1ccc(CC#N)cc1)S(C)(=O)=O 1171285 NUWHSWYTIKRPSV-UHFFFAOYSA-N 371.462 2.720 30 50 FFEA O=C(CSc1ncccn1)O/N=C/c1ccc(Br)cc1 4794933 QVCCRNQAGYZBPQ-CAOOACKPSA-N 352.213 2.909 30 50 FFEA COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C#N)cc1)c1ccc(F)cc1F 1875254036 OTIJVICKRPSIES-SOLBZPMBSA-N 370.355 2.970 30 50 FFEA C#CCCC1(CCC(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)N=N1 1875381788 HUTWKZPRAWZXNQ-UHFFFAOYSA-N 351.414 2.628 30 50 FFEA Cc1ccc(S(=O)(=O)Nc2nn(C(C)(C)C)cc2C#N)c(Cl)n1 170597602 MUWKZMROEFALIE-UHFFFAOYSA-N 353.835 2.667 30 50 FFEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1cc(F)cc(F)c1)C2 14746445 ATGCSFABKDZHOK-INIZCTEOSA-N 374.435 2.696 30 50 FFEA OC[C@@]1(F)CCN(/C(O)=N/Cc2cccc(CN3CCCCCC3)c2)C1 328722803 XTYLHGQCHKWZAV-HXUWFJFHSA-N 363.477 2.883 30 50 FFEA C=CCC(O)(CC=C)CNC(=O)[C@]1(C)CC[C@H](C(=O)NCC)C1(C)C 55227056 UHNWGTTXELMHTG-BEFAXECRSA-N 350.503 2.565 30 50 FFEA COc1ccccc1-n1c(SCC(=O)O)nnc1-c1ccc(C#N)cc1 67688736 RPQMBCINSHVXEU-UHFFFAOYSA-N 366.402 2.991 30 50 FFEA COc1cc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)c(Cl)cc1O 1121144 QUXYLPRYXRRZOM-QGMBQPNBSA-N 360.805 2.639 30 50 FFEA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=S)cc2)cc1 4230250 AMZHRXXUJDAFLG-UDWIEESQSA-N 357.435 2.862 30 50 FFEA Cn1cc(/C(O)=N/CCc2nnc3n2CCCC3)c(C2CCCCC2)n1 330143958 ZIFKQVBUSFTZOA-UHFFFAOYSA-N 356.474 2.943 30 50 FFEA OCC#Cc1ccc(CN2CCCN(Cc3ccc(F)cc3)CC2)cc1 1506398876 YQPMPCLAGNRBLW-UHFFFAOYSA-N 352.453 2.877 30 50 FFEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccs1 19927976 QCOVMFKCDZTCKB-OAHLLOKOSA-N 360.435 2.871 30 50 FFEA CSCCC/N=C(/O)NC[C@@H]1C[C@H](F)CN1Cc1csc(C)n1 328655848 YVDBJRAOMXBKFK-JSGCOSHPSA-N 360.524 2.621 30 50 FFEA CC(=O)NCc1ccc(-c2cccc(C(=O)N3CCC[C@H](C#N)C3)c2)nc1 299801907 YMFJMSIDTNIQMP-MRXNPFEDSA-N 362.433 2.760 30 50 FFEA C#CCCC1(CCC(=O)NC[C@H]2CCN(C(=O)Cc3ccccc3)C2)N=N1 2325892233 FQCTYKVUEJDURC-GOSISDBHSA-N 366.465 2.550 30 50 FFEA N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)CCN2 414903067 LJJQDZXNDDRDPM-UYAOXDASSA-N 374.444 2.891 30 50 FFEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccco1 19996138 XEOQMNWZSILFDU-HNNXBMFYSA-N 360.435 2.871 30 50 FFEA Cc1ccc([S@@+](=O)(O)c2nc(S)sc2N2CCOCC2)cc1 334158949 JBXVHDKPXXPCLL-UHFFFAOYSA-O 357.502 2.967 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC(O)(Cc3ccccc3)CC2)o1 952983951 YGUMSNPKPUCEGW-UHFFFAOYSA-N 367.445 2.612 30 50 FFEA COc1cc(CN2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc(OC)c1 170613774 SQDFGYOANRHPSE-UHFFFAOYSA-N 351.362 2.544 30 50 FFEA CC1=C(C(=O)N(C)C)[C@H](c2ccc(C(C)(C)C#N)cc2)N(C)C(=O)N1C 848658567 JLVBFILQHUGHGT-KRWDZBQOSA-N 354.454 2.888 30 50 FFEA Cc1noc(C)c1[C@H](C)C(=O)N1CCN(Cc2ccc(C#N)cc2)C[C@H]1C 241587868 OXSUASSFLQNYDT-CABCVRRESA-N 366.465 3.000 30 50 FFEA N#Cc1ccc(C(=O)N2CCc3[nH]c(-c4ccc(F)cc4F)nc3C2)cn1 96141965 JNSYBLQFUCRRCI-UHFFFAOYSA-N 365.343 2.820 30 50 FFEA CC(C)(O)C#Cc1ccc(CN2CCCC[C@H]2CN2CCOCC2)s1 820608269 IUOPPAWAJDYOLV-KRWDZBQOSA-N 362.539 2.557 30 50 FFEA Cc1nc(O)ccc1/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328626370 LQJCODXNHYBQBP-JTQLQIEISA-N 354.332 2.878 30 50 FFEA CC(C)C(=O)N1CCC(C(O)=Nc2cccc(-c3nc(O)n[nH]3)c2)CC1 329083590 FHXJYICKSWBDKZ-UHFFFAOYSA-N 357.414 2.660 30 50 FFEA C=CCN(Cc1c[nH]nc1-c1cc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 19225995 VWZKXZJFRMPCGJ-MRXNPFEDSA-N 371.462 2.998 30 50 FFEA N#Cc1c(N)sc2c1CCN(C(=O)c1ccc3nc(S)oc3c1)C2 135387585 BQSSPMGYGSILIM-UHFFFAOYSA-N 356.432 2.830 30 50 FFEA CC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)c1C 65462721 DYRIMERQJIXWMO-UHFFFAOYSA-N 350.422 2.668 30 50 FFEA N#Cc1ccc(NC(=O)CCCN2CCN(C3CCSCC3)CC2)cc1 244774072 PNHHVGJAYDEKHU-UHFFFAOYSA-N 372.538 2.790 30 50 FFEA C[C@H]1CN(C(=O)c2cccc(-c3cnc4c(C#N)cnn4c3)c2)C[C@@H](C)O1 534667798 QKVPLULLFKBBEF-OKILXGFUSA-N 361.405 2.517 30 50 FFEA CN(C)c1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3ccccc3)S2)cc1 12843790 JNOSHHQFNJELSS-NNIWKIFQSA-N 352.463 2.917 30 50 FFEA N#Cc1cc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)ccc1F 332022788 WDBCJIRUIISSHV-UHFFFAOYSA-N 372.444 2.934 30 50 FFEA C#CCCC1(CCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)N=N1 2325891915 DNGXAFAUHCGMAQ-UHFFFAOYSA-N 368.437 2.925 30 50 FFEA N/C(=N\OC(=O)c1ccccc1I)c1ccccc1 4901974 MOKRZJGJZOIINF-UHFFFAOYSA-N 366.158 2.769 30 50 FFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 281535523 SAHOPRQFNYXPEZ-VYDXJSESSA-N 362.495 2.840 30 50 FFEA Cc1noc(C)c1CN1CC2(CCN(c3cc(C#N)ccn3)CC2)CC1=O 95377080 REMHALBEZFHYCH-UHFFFAOYSA-N 365.437 2.577 30 50 FFEA C=CCOc1cccc(C(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c1 91817907 RWEGBTFNGGSEED-IERDGZPVSA-N 359.466 2.891 30 50 FFEA COC(=O)c1cc(I)cc(C#N)c1Br 263624271 OWGBHUOXBNRLKT-UHFFFAOYSA-N 365.952 2.712 30 50 FFEA COc1ccc(S(=O)(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1 32577556 QYRJIKVIXNIJBT-SXGWCWSVSA-N 369.786 2.569 30 50 FFEA CC/N=C(/O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(CC(=N)O)C1 328605825 PJRAOOYGWBRLFV-CQSZACIVSA-N 355.442 2.911 30 50 FFEA N#Cc1ccc(N2CC[C@@H](N3CCO[C@@]4(CCc5ccccc54)C3)C2=O)cc1 159394733 DGAJWHBPKOQVFX-GGAORHGYSA-N 373.456 2.837 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 759616 GSGUMAJWOLFOCA-UHFFFAOYSA-N 366.436 2.911 30 50 FFEA COc1ccc(C(=O)C[n+]2cccc(Br)c2)cc1[N+](=O)[O-] 4831590 FHSDQEJXUGDEOJ-UHFFFAOYSA-N 352.164 2.536 30 50 FFEA Cn1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c(C#N)c(N)n2)c1 67678205 TYBVYTTZENVUPT-UHFFFAOYSA-N 352.419 2.611 30 50 FFEA N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)NCc2ccccc2)cc1 223597337 UNLULXAHBIOENX-RTBURBONSA-N 351.406 2.594 30 50 FFEA COc1ccc(F)cc1[C@@H](NC(=O)c1cccc(C#N)c1)[C@H]1C[C@H](O)C1 244716329 LNDBSGRTFDKVQC-QOKNQOGYSA-N 354.381 2.948 30 50 FFEA Cc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(C)c1C#N 1144161175 GVMSZTBGUNLABB-UHFFFAOYSA-N 350.422 2.621 30 50 FFEA C=CCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(OC)c3OC)C2=O)C1 19147969 UDNYTCQJJLOQKK-NRFANRHFSA-N 372.465 2.621 30 50 FFEA CCc1nc(CN2CCN(C(=O)c3ccc(C#N)cc3C)CC2)cs1 162880978 FWNOTNRACCUGNO-UHFFFAOYSA-N 354.479 2.844 30 50 FFEA N#Cc1ncccc1N1CCN(c2cccc(-n3cccc3)c2C#N)CC1 2325866935 FHJINKUAHLUVLV-UHFFFAOYSA-N 354.417 2.942 30 50 FFEA COC(=O)c1c(NC(=O)C#Cc2ccccc2)sc(C(=O)N(C)C)c1C 6700075 DRJDMGWVOKEXTP-UHFFFAOYSA-N 370.430 2.535 30 50 FFEA CCOc1ccc(C(=O)O/N=C(\N)c2ccc(OC)cc2)cc1OCC 6949506 XCVKSOZELZPHNO-UHFFFAOYSA-N 358.394 2.970 30 50 FFEA C#CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 107880122 BMHHPDWORMWWTC-HOKRVXKHSA-N 370.408 2.993 30 50 FFEA COc1ccc(C(=O)Nc2cc(C#N)c3[nH]c4ccccc4n3c2=O)cc1 100931650 FDFWASJNORMFEV-UHFFFAOYSA-N 358.357 2.913 30 50 FFEA COC(=O)c1ccccc1N=C(O)CN1C=C/C(=C2/C=CC=[S+]2)N=C1 328579925 RAYPFOXDDBKADJ-FOCLMDBBSA-O 354.411 2.585 30 50 FFEA N#Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)cn1 95497052 ABOVKILODKFJEH-QGZVFWFLSA-N 372.432 2.613 30 50 FFEA COc1ccc(F)cc1[C@@H](NC(=O)c1ccccc1C#N)[C@H]1C[C@@H](O)C1 252569156 WCXBFHRHCLPZIP-OHNRDTAOSA-N 354.381 2.948 30 50 FFEA COc1cc(OC)c(OC)cc1/C=N/NC(=S)NC1CCCCC1 6299187 XFWXQEPLNABVIH-WOJGMQOQSA-N 351.472 2.843 30 50 FFEA Cc1nn(CCC(=O)O)c(C)c1-c1cc(-c2ccco2)c(C#N)c(N)n1 71764722 WFHBAXKOLWCTLY-UHFFFAOYSA-N 351.366 2.751 30 50 FFEA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCc2cc(C#N)ccc2C1 1875314887 YFLMUYWZMLKFBL-OLZOCXBDSA-N 350.422 2.512 30 50 FFEA C=CC(=O)N1CCC[C@@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 1875370887 HPTFBBWBMNEMIH-OAHLLOKOSA-N 364.367 2.598 30 50 FFEA CC[C@H](C(=O)Nc1ccc(CC#N)cc1)N(c1ccccc1)S(C)(=O)=O 13711273 ZBOJBAQEXDEMKM-GOSISDBHSA-N 371.462 2.936 30 50 FFEA C=CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 4828650 WKNSCCLJZLDLQA-QGZVFWFLSA-N 358.463 2.543 30 50 FFEA CCO[C@@H]1C[C@H](N/C(O)=N/[C@@H]2CCC(O)=N[C@H]2C(C)(C)C)[C@]12CCCO2 329251745 YFENSCLPTIMXTI-ZHNCLRPDSA-N 367.490 2.750 30 50 FFEA Cc1c(C/N=C(/O)N2CCC[C@@H](n3cncn3)C2)n(C)c2ccccc12 329921443 FRMDGJDPYTZZTH-OAHLLOKOSA-N 352.442 2.829 30 50 FFEA Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3C[C@H]3c3cccc(F)c3)CC2)o1 170608013 IGBPYVWQFVFMEX-IRXDYDNUSA-N 368.412 2.883 30 50 FFEA CCc1noc([C@@H](C)N2CCN(/C(O)=N/[C@@H]3C[C@H]3c3ccccc3)CC2)n1 330312552 WNVIMUDFVNUNFL-HYVNUMGLSA-N 369.469 2.781 30 50 FFEA CN(CCn1cccn1)/C(O)=N/C1CC(N2CCC(C(F)(F)F)CC2)C1 329920518 DZRXYKHKHJOTQO-UHFFFAOYSA-N 373.423 2.534 30 50 FFEA CCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOC 97976952 IROCDJQVMJLNCR-UHFFFAOYSA-N 368.503 2.522 30 50 FFEA biogenic C=CCNCC[C@@H]1CCC(=O)N1CC1(N2CCOCC2)CCCCCC1 299780004 HHMYHUPXPLJDJD-IBGZPJMESA-N 363.546 2.568 30 50 FFEA Cc1ccc(CC(=O)N[C@@H]2CCN(c3ccncc3C#N)C[C@H]2C)s1 1875338704 ILFZQKOGUNQGKY-CXAGYDPISA-N 354.479 2.897 30 50 FFEA C#CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 12342714 BMYWEPDQXAKABT-LGMDPLHJSA-N 362.410 2.530 30 50 FFEA CCOc1ccc(/C=N/n2c(S)nnc2-c2cccnc2)cc1OC 1475352 YFSSXIYUXHGRLM-VXLYETTFSA-N 355.423 2.918 30 50 FFEA CCN1C[C@@]2(C[C@@H](O)[C@H](NCc3ccc(OC)c(C#N)c3)C2)[C@H]1C(C)C 922392593 DYJCLKSSUIFDMU-VURPSTOHSA-N 357.498 2.526 30 50 FFEA C[C@@H]1CCN(C(=O)COC(=O)CNc2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12 229765718 PCWGDZWRAKKZBL-AYOQOUSVSA-N 369.465 2.941 30 50 FFEA Cn1cc(N2CCC[C@H](O/N=C/c3ccccc3C(F)(F)F)C2=O)cn1 170642546 DEDXABBOQCMKCH-XYJSHWMKSA-N 366.343 2.985 30 50 FFEA N#Cc1ccnc(CC(=O)N2CCc3ccc(Br)cc3CC2)c1 2325797355 GXMABKMDHMLBPB-UHFFFAOYSA-N 370.250 2.886 30 50 FFEA N#Cc1cc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)n2c1CCCC2 2325865780 QIKBHZIBHRUWHH-OAHLLOKOSA-N 355.369 2.781 30 50 FFEA CCCn1c(C)nc2cc(C(=O)OC)cc(B3OC(C)(C)C(C)(C)O3)c21 170008552 FCRPLTVVWGANRE-UHFFFAOYSA-N 358.247 2.841 30 50 FFEA O/C(=N/Cc1ccc2c(c1)COC2)N1CCC[C@](O)(C(F)(F)F)CC1 329291877 QZEOPUWGTPMVEI-MRXNPFEDSA-N 358.360 2.910 30 50 FFEA Cc1c([C@H]2CC2(C)C)nc(N)c(C#N)c1-c1ccc(OCC(N)=O)cc1 71774989 CTQGDMFWCCQETF-OAHLLOKOSA-N 350.422 2.889 30 50 FFEA CC(C)(C)OC(=O)NCCOc1cccc(B2OC(C)(C)C(C)(C)O2)c1 225095631 GXCVCYPGZBKJQB-UHFFFAOYSA-N 363.263 2.889 30 50 FFEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)NCc2ccccc2)cc1 223085309 JAIYNHNVOKNMMO-RTBURBONSA-N 351.406 2.594 30 50 FFEA CCCn1cnnc1CN(C)C(=O)c1ccc(-c2ncccc2C#N)cc1 426649428 BGLDQEMNRWCIJT-UHFFFAOYSA-N 360.421 2.894 30 50 FFEA N#Cc1ccc(NC(=O)CCCN2CCOc3ccc(CO)cc3C2)cc1 244764168 PCNJLXKFCKFOPN-UHFFFAOYSA-N 365.433 2.664 30 50 FFEA C=CCNCc1ccc(OC)c(OC[C@@H](O)CN(C)Cc2ccccc2)c1 12597572 KGSHYXDLPHBWAC-FQEVSTJZSA-N 370.493 2.843 30 50 FFEA Cc1cc(=O)[nH]c(SCC(=O)c2cc3ccccc3oc2=O)c1C#N 632653 YGCLMSBJFBJQJS-UHFFFAOYSA-N 352.371 2.636 30 50 FFEA CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C#N)cc2F)CC1 4412758 HNOMQERPFHOANT-UHFFFAOYSA-N 366.396 2.618 30 50 FFEA Cc1nc(C#N)c(N2CCC(C(=O)OCc3sc(C)nc3C)CC2)o1 225467616 XITBEJFKTBNURJ-UHFFFAOYSA-N 360.439 2.888 30 50 FFEA Cc1nn(CCO)cc1-c1c(C)c(-c2ccc(F)cc2)nc(N)c1C#N 67771733 QCLJXAWASHBLBV-UHFFFAOYSA-N 351.385 2.814 30 50 FFEA CC(C)(CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1cccs1 172037848 LJISWFRIJZTYCI-UHFFFAOYSA-N 369.494 2.824 30 50 FFEA O=C1/C(=N\Nc2ccc(Cl)cc2)c2ccccc2N1CN1CCOCC1 100912339 LGZHTTOKOVRTHB-PYCFMQQDSA-N 370.840 2.793 30 50 FFEA C=CCn1nc(C(=O)OCC)c2c1CCN(Cc1ccc(OC)cc1)C2 14754086 OCKUUNJIFMVKEW-UHFFFAOYSA-N 355.438 2.813 30 50 FFEA CCOC(=O)c1cc(C)nn1-c1cccc(B2OC(C)(C)C(C)(C)O2)c1 170005233 SRWFAZUYRKYGDK-UHFFFAOYSA-N 356.231 2.657 30 50 FFEA N#Cc1cc(N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)ccc1C(F)(F)F 367756968 JFZLRVGZKRMJRP-YCPHGPKFSA-N 353.344 2.815 30 50 FFEA Cc1cc[n+](CC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 3132942 BJTIDPMNELSOFN-UHFFFAOYSA-N 357.389 2.966 30 50 FFEA Cn1cc(C#N)c(=NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)[nH]1 464100094 RRWGPUIIZDTQSU-UHFFFAOYSA-N 361.283 2.640 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)NCc2c[nH]nc2-c2ccc(F)cc2)o1 67433762 YRSWBFAEVCIVGD-UHFFFAOYSA-N 367.380 2.861 30 50 FFEA COC1(OC)N=C(N)[C@]2(C#N)[C@H](c3cccc(Oc4ccccc4)c3)[C@]12C#N 102977365 XVNXFLCFBRUWDE-IHPCNDPISA-N 374.400 2.913 30 50 FFEA CCc1nc(S[C@H](C)C(=O)Nc2cc(C)ccc2C)[nH]c(=O)c1C#N 5239007 ZCGJCHVNWWJZFY-GFCCVEGCSA-N 356.451 2.940 30 50 FFEA C#CCCC1(CCC(=O)NC[C@@H]2CCN(C(=O)Cc3ccccc3)C2)N=N1 2325892234 FQCTYKVUEJDURC-SFHVURJKSA-N 366.465 2.550 30 50 FFEA COc1cc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)cc(OC)c1O 4751103 PDVWOAUOABDXQK-DJKKODMXSA-N 364.365 2.675 30 50 FFEA Cc1cc(C)c(C#N)c(N2CCC[C@@H](c3nccn3CCN(C)C)C2)n1 95357982 GBWHDVPWCJYCGP-QGZVFWFLSA-N 352.486 2.712 30 50 FFEA COC(=O)c1ccc(/C=N\N2CCN(c3ccccc3OC)CC2)cc1 19835495 CITIJNYYTQFTFG-QNGOZBTKSA-N 353.422 2.638 30 50 FFEA Cc1cc(C)c(C/N=C(/O)N2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)c(O)n1 328681046 CHGQAEHKCPUNFZ-HZPDHXFCSA-N 367.453 2.872 30 50 FFEA COCc1nc2n(n1)C[C@@H](Nc1cc(C#N)ccc1C(F)(F)F)CC2 126990896 VJYIBERCPKEMSI-NSHDSACASA-N 351.332 2.742 30 50 FFEA C#CCCC1(CCC(=O)N(C)C[C@@H]2OCCN(C)[C@H]2c2ccccc2)N=N1 2325887201 XZAVPWTZCNIFGU-ICSRJNTNSA-N 368.481 2.872 30 50 FFEA C#CCCC1(CCNC(=O)c2nc(-c3ccccc3)n3c2COCC3)N=N1 2325887426 QDACHBLTKXMOKJ-UHFFFAOYSA-N 363.421 2.776 30 50 FFEA N#Cc1cc(I)c(C(=O)O)cc1Br 263623760 KNAXZGZERMWXRN-UHFFFAOYSA-N 351.925 2.624 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)N2CCC(Oc3ccncc3)CC2)c1 1506412455 YNZTVDYMUREADV-UHFFFAOYSA-N 364.445 2.888 30 50 FFEA CCNC(=O)Nc1cc(F)ccc1NS(=O)(=O)c1cccc(C#N)c1 1875264079 DHRQJXOHALCPPD-UHFFFAOYSA-N 362.386 2.640 30 50 FFEA C#CCCC1(CCC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)N=N1 2325892209 FAIOROAYCLGNIJ-QGZVFWFLSA-N 352.438 2.822 30 50 FFEA C=CCn1cc(CN2CCC(Oc3cccc(F)c3)(C(=O)O)CC2)cn1 72428207 VBDUFQYAADUOPK-UHFFFAOYSA-N 359.401 2.706 30 50 FFEA COc1cc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)cc2c1OCO2 71758983 HMQYWARQWIIUPN-UHFFFAOYSA-N 363.377 2.649 30 50 FFEA CCn1ncc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1C 5728161 OHZNXNYJTTVXGF-QGZVFWFLSA-N 357.454 2.988 30 50 FFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cn(C)nc1C 20607775 TXVJPAMYTSSVTC-KRWDZBQOSA-N 357.454 2.896 30 50 FFEA CC(=O)N[C@@H]1CCCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 221746495 UMTSAEXKYLAKGG-GOEBONIOSA-N 374.510 2.620 30 50 FFEA CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/CCC3CC3)NC2=O)cc1 864344764 GKXMFJOOFZMKJL-HNNXBMFYSA-N 361.467 2.802 30 50 FFEA O=S(=O)(N/N=C\c1c(F)c(F)c(F)c(F)c1F)c1ccccc1 13736793 KVJFNHOLOQAENI-SWNXQHNESA-N 350.268 2.695 30 50 FFEA COC1(OC)N=C(N)[C@]2(C#N)[C@H](c3cccc(Oc4ccccc4)c3)[C@@]12C#N 102977367 XVNXFLCFBRUWDE-YSIASYRMSA-N 374.400 2.913 30 50 FFEA C=CCN1CC[C@@H](CNC(=O)Nc2cccc(-c3nnc(CC)[nH]3)c2)C1 299781500 ULXYRXZBOBXAKJ-AWEZNQCLSA-N 354.458 2.664 30 50 FFEA CCC(C)(C(=O)NCC#Cc1ccccc1)C(=O)NCC#Cc1ccccc1 929643310 YDFJJKPCQWSCFT-UHFFFAOYSA-N 372.468 2.739 30 50 FFEA Cc1nsc(N2C[C@@H]3CCC[C@H](NC(=O)[C@@H]4CC45CC5)[C@H]3C2)c1C#N 1875405509 HVGUNNZONJWTOR-TUUVXOQKSA-N 356.495 2.844 30 50 FFEA COc1ccc(CO/N=C(/N)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 170656943 LKKMYJDTMUYBND-UHFFFAOYSA-N 368.842 2.589 30 50 FFEA C=C(C)CN(CC)C(=O)[C@H]1CCC(=O)N(CCc2ccc(OC)cc2)C1 12612657 VJXIQDSPMJUKBS-SFHVURJKSA-N 358.482 2.901 30 50 FFEA CC(=O)N1c2ccc(S(=O)(=O)N(C)c3ccc(C#N)cc3)cc2C[C@@H]1C 903145258 RNDBMCGVGZZAHD-ZDUSSCGKSA-N 369.446 2.681 30 50 FFEA CC(C)[C@@H]1COCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 2325784197 HFEIKUDWHVQVQV-SJORKVTESA-N 359.445 2.655 30 50 FFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC 2801495 HJOOWPGVFQGLDO-LJQANCHMSA-N 371.433 2.853 30 50 FFEA O/C(COc1cccnc1)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328622836 ISEMPPMASMDFBE-NSHDSACASA-N 354.332 2.895 30 50 FFEA CN(C)CCOc1cccc(CN2CCN(c3ccc(C#N)cc3)CC2)c1 218831189 MWJURYDCNGYYRK-UHFFFAOYSA-N 364.493 2.821 30 50 FFEA CC(C)n1cc([C@@]2(O)CCCN(Cc3ccc(Cl)cc3C#N)C2)nn1 284749512 XKYXZBKMYVVISM-GOSISDBHSA-N 359.861 2.868 30 50 FFEA COc1nccc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)c1C#N 95499409 SFAKBMBRBSSUPM-KRWDZBQOSA-N 374.448 2.986 30 50 FFEA CO[C@H]1O[C@]23CCC4=CC(=O)CC[C@@]41[C@@H]2CC[C@@]1(C)[C@@H]3CC[C@H]1C(=O)CO 257349569 OZBRSASHLPSDOA-CDSHGXNMSA-N 374.477 2.801 30 50 FFEA 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)c([N+](=O)[O-])c1 252428600 PYFMQUCYIDMEMK-GFRNIMCLSA-N 371.780 2.635 30 50 FFEA Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1189302 KFIYVEUYHJJSNG-CXUHLZMHSA-N 353.787 2.869 30 50 FFEA Cc1ccc2oc(N3CCC(C(=O)N4CCC[C@@H](C#N)C4)CC3)nc2n1 1875242483 VJGYJJUFPIBOFZ-AWEZNQCLSA-N 353.426 2.510 30 50 FFEA O=C(Nc1cccc(C(=O)ON2C(=O)CCC2=O)c1)OCc1ccccc1 2561170 GTEFLNWIEFSKDY-UHFFFAOYSA-N 368.345 2.656 30 50 FFEA C[C@H](/N=C(/O)N1CC[C@H](c2nccn2C)C1)[C@H]1OCCc2sccc21 330272350 XMYRGPLXBDXKGL-HEHGZKQESA-N 360.483 2.887 30 50 FFEA C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cc2ccccc2oc1=O 1232419 KQZAQSTXKQYKQZ-CPNJWEJPSA-N 356.403 2.804 30 50 FFEA O=C1C(=CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)c2ccccc21 5044164 HFPNQISDZGSKJG-UHFFFAOYSA-N 363.373 2.680 30 50 FFEA COc1cc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)ccc1O 4751358 DJJRUQKPOUBAPH-CYBMUJFWSA-N 350.326 2.765 30 50 FFEA CC(C)c1nc(C(=O)N2CC[C@H](CN=c3ccc(C#N)c[nH]3)C2)cs1 2325853859 DZGBUNGFZKERRH-CQSZACIVSA-N 355.467 2.529 30 50 FFEA COc1ccc(C2(C(=O)N3CCN(C)[C@H](C#N)C3)CC3(CCC3)C2)cc1 376007264 HPTVNEMVIPWFLQ-QGZVFWFLSA-N 353.466 2.563 30 50 FFEA CN1C(=O)CC[C@H](C(=O)NCc2cc(C#N)ccc2F)[C@H]1c1ccccc1 174425096 OHIUWJLAFDWSIB-FXAWDEMLSA-N 365.408 2.923 30 50 FFEA C=CC[C@@]1(C(=O)O)CCCN(Cc2ccc(Sc3nncn3C)o2)C1 91656630 IQUZJHZQZZWOBU-QGZVFWFLSA-N 362.455 2.802 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCCN(c3ccccc3)CC2)o1 952979848 ATTFEVSFCKIZLI-UHFFFAOYSA-N 352.434 2.755 30 50 FFEA Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)O)[C@@H]2c2ccccc2)cc1 17194894 MOXJPPPSICWVIS-QGZVFWFLSA-N 351.358 2.658 30 50 FFEA N#Cc1ccc(C(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 637482 KMLCCNPHXSWWMJ-UHFFFAOYSA-N 368.190 2.914 30 50 FFEA C#CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 13895713 DQHJTQIOBGHVKI-LGMDPLHJSA-N 362.385 2.559 30 50 FFEA C[C@H](/N=C(/O)c1c[nH]nc1[C@H]1CCOC1)c1ncc(Br)cn1 329105387 HCBTWRNKIOXFJI-IUCAKERBSA-N 366.219 2.532 30 50 FFEA CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)c(C#N)c2)C12CCC2 153722391 YHTDBINCCWUNMK-HZPDHXFCSA-N 352.431 2.666 30 50 FFEA C#CCCC1(CCC(=O)N[C@H]2c3ccccc3CC[C@H]2C(=O)OC)N=N1 2325893080 GNWDTBVGYFLPBT-AEFFLSMTSA-N 353.422 2.935 30 50 FFEA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1/C(O)=N/[C@H]1CCc2nc(C)nn2C1 328603344 FTASJMXVTNUKOG-GQWAEJPESA-N 368.437 2.607 30 50 FFEA C#CCCC1(CCC(=O)N(C)Cc2ccccc2N2CCOCC2)N=N1 952880156 CPBJURAKUAHALI-UHFFFAOYSA-N 354.454 2.837 30 50 FFEA N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)CCc2cccs2)cc1 1565509362 ZJSCUSAFDKORJN-ROUUACIJSA-N 356.447 2.905 30 50 FFEA N/C(=N\OC(=O)c1cc(Br)ccc1Cl)c1cccnc1 5059924 GDZMNAXETPAFGP-UHFFFAOYSA-N 354.591 2.975 30 50 FFEA C=CCNC(=O)N(CCOC)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12717091 TUPGBKVTHBMWHS-GOSISDBHSA-N 371.525 2.710 30 50 FFEA C=CCn1c(N)cc(=O)nc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1 798408 HVTUSXVJMHXHAF-JTQLQIEISA-N 364.858 2.784 30 50 FFEA COc1cc(OC)c([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC 4488878 VJHBFNXJZAMQOI-GFCCVEGCSA-N 359.422 2.959 30 50 FFEA CCN1CCC[C@@H]1CN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 9575822 BLBMNRLNOMZQPN-OAHLLOKOSA-N 368.506 2.806 30 50 FFEA COC(=O)c1cc(C#N)c(Br)cc1I 263623492 HXGLDIOZIUXKPQ-UHFFFAOYSA-N 365.952 2.712 30 50 FFEA Cc1ncc(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1C#N 1875272525 NUOCKNZSVLUWOZ-CHWSQXEVSA-N 351.410 2.523 30 50 FFEA Cc1cccc(NC(=O)C[C@@H]2S/C(=N\N=C\c3ccco3)NC2=O)c1C 5602935 FEROZLLBNBDNKI-RPJLVFAOSA-N 370.434 2.847 30 50 FFEA C#CCCC1(CCNC(=O)C2(C(=O)N(C)Cc3ccccc3)CC2)N=N1 2325900960 OZLODTMROSBBQS-UHFFFAOYSA-N 352.438 2.507 30 50 FFEA C=CCN1CC[C@]2(CCC1=O)CN(Cc1ccc(OCC)cc1)CCN2C 107407274 GRYCQYGXWPJWFO-JOCHJYFZSA-N 371.525 2.770 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)o1 55090255 HTWLSZSZHUMPQN-SFHVURJKSA-N 368.433 2.618 30 50 FFEA Cc1nc(CN(C)[C@@H]2CCCN(C(=O)C3(C#N)CCCCC3)CC2)no1 328634020 MJJKDAQYTFRCMG-MRXNPFEDSA-N 359.474 2.665 30 50 FFEA N#Cc1ccc2ncc(CN3CCC[C@H](Cc4nnc5ccccn45)C3)n2c1 375097586 TWAYUXCHLWNUBW-MRXNPFEDSA-N 371.448 2.703 30 50 FFEA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc(Br)cc1)[C@@H]1C[C@@H]31 252327550 URPZHFWDRVPDSQ-SVABIKKMSA-N 371.234 2.836 30 50 FFEA C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCCn3nc(C(=O)OC)cc3C1)C2 74481351 RBSANZBKIAZOOW-JLTOFOAXSA-N 357.454 2.785 30 50 FFEA C=CCNC(=O)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 12209788 HGKBVFDZSNGESY-MRXNPFEDSA-N 368.481 2.811 30 50 FFEA C#C[C@H](Cc1ccc(F)cc1F)N(C)C(=O)c1nc(Br)c[nH]1 2325869157 ASUCXUMUNMKCNG-LLVKDONJSA-N 368.181 2.767 30 50 FFEA COc1cc(/C=C2\N=C(SC)SC2=O)cc([N+](=O)[O-])c1OC(C)=O 4755123 ZVFVGAKCZVOTKW-WTKPLQERSA-N 368.392 2.862 30 50 FFEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)c2cc(F)c(F)c(F)c2)C1 328630144 JBKRQQHWZGHAHU-UHFFFAOYSA-N 356.344 2.736 30 50 FFEA CNC(=O)c1ccc(C)c(-n2ccnc2-c2ccc(C#CCO)s2)c1 72420344 QOXXEAZWCMPEPD-UHFFFAOYSA-N 351.431 2.613 30 50 FFEA COc1ccc(NC(=O)N2CCN(C3CCSCC3)CC2)cc1C#N 95529218 OGIDSTLUCBVAFW-UHFFFAOYSA-N 360.483 2.612 30 50 FFEA C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO 257359397 ZYTXTXAMMDTYDQ-RSGBIXFTSA-N 356.462 2.753 30 50 FFEA CCN1CCN(C(=O)CC2CCN([C@@H](C)c3cccc(C#N)c3)CC2)CC1 187678809 RKBJKINUXFDCGZ-SFHVURJKSA-N 368.525 2.885 30 50 FFEA CCCCCCCC(=O)NCCNC(=O)c1c(O)c2ccccc2oc1=O 3082263 PGSYUZULNNJATP-UHFFFAOYSA-N 374.437 2.705 30 50 FFEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCCCSC)C2 20137615 MLHSZILASIWHDX-OAHLLOKOSA-N 362.543 2.505 30 50 FFEA N#CC1(c2ccccc2)CCN(C(=O)c2ccccc2NCC(=O)O)CC1 65456012 ZRBPINDGAYGMGG-UHFFFAOYSA-N 363.417 2.881 30 50 FFEA Cc1cccc(S(=O)(=O)Nc2cc(-c3nc[nH]n3)ccc2F)c1C#N 436476622 JUUASBYOXSBUBP-UHFFFAOYSA-N 357.370 2.592 30 50 FFEA N#C[C@@H]1CCCN(Cc2cc(-c3ccccn3)ccc2OCC(=O)O)C1 97743618 ZIZYYRRHCKHJCO-HNNXBMFYSA-N 351.406 2.948 30 50 FFEA Cc1ccc(NC(=O)N2CCCC[C@@H]2CCN2CCN(C)CC2)cc1C#N 299776821 DFPYKSFNRTVWKF-HXUWFJFHSA-N 369.513 2.891 30 50 FFEA C#CCCC1(CCC(=O)NCc2nnc3n2CCC[C@H]3C(F)(F)F)N=N1 952879950 IGXHIVGPRDLWNA-LLVKDONJSA-N 368.363 2.690 30 50 FFEA C=CCS(=O)(=O)N[C@H](C)c1cnc(N2CCCCCCC2)nc1C 15074453 DJRDJUGHEBVPMU-OAHLLOKOSA-N 352.504 2.722 30 50 FFEA C#CCCC1(CCNC(=O)CCC(=O)Nc2ccc3oc(C)nc3c2)N=N1 2325893740 YAZJBHYCLKJTIY-UHFFFAOYSA-N 367.409 2.937 30 50 FFEA COC1(OC)[C@H](C=Cc2ccc(Cl)cc2)C(C#N)(C#N)C1(OC)OC 1857795376 WTXBTYXCVPLYNX-OAHLLOKOSA-N 362.813 2.995 30 50 FFEA C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 2947037 BDZSDWZWYHHJJE-QGOAFFKASA-N 360.369 2.673 30 50 FFEA CC1(C)CC(=O)C(=CNCC2CCN(C(=O)c3ccccc3)CC2)C(=O)C1 100588792 TZNDXRSIOCJVFK-UHFFFAOYSA-N 368.477 2.971 30 50 FFEA CN1C[C@H](C(=O)Nc2cc(C#N)cn2C(C)(C)C)c2ccccc2C1=O 376110209 DXOUCRXZIDALCE-INIZCTEOSA-N 350.422 2.923 30 50 FFEA N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)Cc2ccccc2F)cc1 222467146 XHNSSDUTKSOIBV-RTBURBONSA-N 354.381 2.593 30 50 FFEA O=[N+]([O-])c1ccc(N=C(c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 254488200 ISDCMUZTQUKRRZ-UHFFFAOYSA-N 356.338 2.914 30 50 FFEA N#Cc1cccc(S(=O)(=O)NC(=O)c2ccccc2OC2CCC2)c1 170631365 XDJXOAWZRYPLLM-UHFFFAOYSA-N 356.403 2.608 30 50 FFEA N#Cc1cccc(CNC(=O)CN2CC(=O)Nc3cccc4c3[C@@H]2CCC4)c1 366444436 RNCJFYVKBVGFDT-IBGZPJMESA-N 374.444 2.506 30 50 FFEA Cc1ccc(N=C(O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)nc1 328617803 DBFAKVILNMMABD-MAUKXSAKSA-N 356.474 2.684 30 50 FFEA Cc1n[nH]c(C)c1CN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 218515766 JGWJFIWQXAMJLI-UHFFFAOYSA-N 365.462 2.862 30 50 FFEA Cc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1ccc(OCC(N)=O)cc1 71497906 WSGGCUQBNGZTAQ-UHFFFAOYSA-N 374.400 2.748 30 50 FFEA C[C@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)CCOc1ccccc1 82160338 IBXQLBNIGLRXAP-INIZCTEOSA-N 363.417 2.591 30 50 FFEA CC(C)Cc1nc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cs1 225747034 FBMZGBZWSAANHQ-UHFFFAOYSA-N 355.467 2.571 30 50 FFEA CC(C)c1nnc([C@H]2COCCN2C(=O)CCc2ccc(C#N)cc2)o1 328614930 XHLAAFBBNSXKRJ-MRXNPFEDSA-N 354.410 2.597 30 50 FFEA CCCCCCCCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 95902499 ONZRNGLUPIDYAI-UHFFFAOYSA-N 371.279 2.936 30 50 FFEA CCCCCCCCCCCC(=O)N[C@H](CCCNC(=N)N)C(=O)O 100008960 XTJKNGLLPGBHHO-OAHLLOKOSA-N 356.511 2.740 30 50 FFEA biogenic CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCN(Cc2cccnc2)CC1 170615439 RYRZVIZGLMNEJE-UHFFFAOYSA-N 366.469 2.859 30 50 FFEA CC(C)(CC#N)CS(=O)(=O)N1CCCN(c2ccccc2F)CC1 451537186 ULNKDMXOSKNYPR-UHFFFAOYSA-N 353.463 2.607 30 50 FFEA C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CCc3c(nnn3C)C2)c1 2325750100 IRURDWXZJDGFAK-INIZCTEOSA-N 360.417 2.728 30 50 FFEA C=C(C)CN(CC)Cc1cnc(S(=O)(=O)CC(C)(C)C)n1CCOC 55061177 HTJBJYUHIWCGCQ-UHFFFAOYSA-N 371.547 2.747 30 50 FFEA N#Cc1ccc(C(=O)N(Cc2nccs2)[C@H]2CC23CCNCC3)cc1 261697757 SSEVEFDSFQGLBW-INIZCTEOSA-N 352.463 2.799 30 50 FFEA CCCCc1nc(-c2c(C#N)c(N)nc3c2CN(C(=O)OCC)CC3)c[nH]1 72144145 KMWWBBBTZALDTL-UHFFFAOYSA-N 368.441 2.783 30 50 FFEA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(/C(O)=N/CC2CCCC2)CC1 328623195 BSAQCFKNCPFCSC-IBGZPJMESA-N 373.501 2.784 30 50 FFEA COc1cc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 4488865 YPWAOXCOEHVFTE-LBPRGKRZSA-N 359.422 2.959 30 50 FFEA CN(Cc1ccccc1)[C@@H]1C[C@]2(CCCO2)CC[C@H]1OS(C)(=O)=O 71766917 NYFYLBNGYNIZQT-KURKYZTESA-N 353.484 2.565 30 50 FFEA COc1ccc(-c2cc(-c3cnc(N4CCCC4)nc3)c(C#N)c(N)n2)cn1 71745880 HCAXIBXUZRQCPA-UHFFFAOYSA-N 373.420 2.663 30 50 FFEA COc1cccc([C@H]2O[C@@]3(C)OC(=N)[C@@](C#N)([C@@H]3C)C2(C#N)C#N)c1OC 226810645 JSIXCCUXPRCOEI-XIANHYIHSA-N 366.377 2.678 30 50 FFEA Cc1nn(C)c2nc(NC3CCN(c4ncccc4C#N)CC3)sc12 96166848 ZBJGQWGAJKPODE-UHFFFAOYSA-N 353.455 2.686 30 50 FFEA COc1ccc(F)cc1[C@H](NC(=O)c1ccccc1C#N)[C@H]1C[C@@H](O)C1 252569155 WCXBFHRHCLPZIP-FRIZHTMISA-N 354.381 2.948 30 50 FFEA COc1ccc(/C=N/n2c(S)nnc2-c2cccnc2)c(OC)c1OC 1252380 PBKDJAVRPVUVIV-VXLYETTFSA-N 371.422 2.537 30 50 FFEA N#Cc1ccncc1N1CCN(c2cccc(-n3cccc3)c2C#N)CC1 2325867533 ZDTRDIPUINSHKY-UHFFFAOYSA-N 354.417 2.942 30 50 FFEA Cc1cccnc1N1CCN(Cc2ccc(C#CC(C)(C)O)s2)CC1 67714699 BXZIWPGOAATBJE-UHFFFAOYSA-N 355.507 2.896 30 50 FFEA CC#CC(=O)N1CCC(C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)CC1 15073716 ALQNWSNKDIRCON-UHFFFAOYSA-N 364.449 2.690 30 50 FFEA CCOc1cc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)ccc1OC 1168858 JLHRBCABFBGURN-YBFXNURJSA-N 354.414 2.679 30 50 FFEA N#Cc1ccccc1CN1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356167040 RRCAFSNHRVOQDO-ONTIZHBOSA-N 367.493 2.819 30 50 FFEA N#Cc1cc2c(=O)n(CCN3CCC[C@H](c4ccccc4)C3)ccc2nc1O 67675950 FXWXQCPMWIWVRU-KRWDZBQOSA-N 374.444 2.853 30 50 FFEA CC(C)n1cccc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C#N)cc1 219962102 LUVDYCQNYJMWCR-IEBWSBKVSA-N 353.422 2.907 30 50 FFEA C[C@@H]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1n1ccnc1 245606389 NHLPPVCPTJANAW-VNQPRFMTSA-N 355.467 2.505 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)N=N1 1875382247 VTOVFAVIGYGECM-UHFFFAOYSA-N 356.382 2.946 30 50 FFEA CC(=O)c1ccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)s1 1565506553 JNRWNQGJGOCNGF-HOTGVXAUSA-N 370.430 2.789 30 50 FFEA O=C(/C=C\c1ccc2c(c1)OCO2)C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21 16184303 IKDGZBPSXNMNSR-XVHLJWMHSA-N 371.776 2.881 30 50 FFEA C=CCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 16650735 BEOHDEDDVGKHKH-UHFFFAOYSA-N 368.524 2.745 30 50 FFEA C=CCOc1ccc(-c2nnn(Cc3nc(-c4ccccc4)n[nH]3)n2)cc1 65405215 HDEQIURBMACAKN-UHFFFAOYSA-N 359.393 2.738 30 50 FFEA N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)cn1 95380198 WWTPYBHIZPFHGS-HRAATJIYSA-N 372.472 2.657 30 50 FFEA CCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](/N=C/c1ccccc1O)C(C)C 526058551 DULOQBOELOOGIJ-DYOPXDPWSA-N 373.497 2.743 30 50 FFEA CC(C)n1cnnc1CCNC(=O)c1cccc(-c2cccnc2C#N)c1 299791687 GEYCDPODJPVKFF-UHFFFAOYSA-N 360.421 2.765 30 50 FFEA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(c1ccc(C#N)cn1)CC2 426370450 IROHRYMULZOKJH-FUHIMQAGSA-N 350.422 2.944 30 50 FFEA CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)c2csc(C#N)c2)cc1 1348209056 SXZWTKDASJEZFL-UHFFFAOYSA-N 361.448 2.655 30 50 FFEA CCOc1cc(/C=N\N2CCN(c3ccccc3OC)CC2)ccc1O 15685416 LCVPUZSSIUHCTP-QNGOZBTKSA-N 355.438 2.956 30 50 FFEA CC1(C)O[S@@](=O)O[C@@H]1COc1c2ccoc2cc2oc(=O)ccc12 2049252060 ILWHZPBGKDWLME-OZAJXLCCSA-N 350.348 2.691 30 50 FFEA C#CCCC1(CCNC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)N=N1 2325891078 PKYAEJAVUDJGBW-UHFFFAOYSA-N 365.437 2.748 30 50 FFEA C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCOCCO 4136890 UYUKHRYEYYSHKH-UHFFFAOYSA-N 350.422 2.817 30 50 FFEA O=C1CCN2C(=C1C(=O)Nc1ccccc1[N+](=O)[O-])Nc1ccccc12 100318679 YAWOMXNWCGZRCO-UHFFFAOYSA-N 350.334 2.650 30 50 FFEA Cc1cccn2c3c(nc12)CNC(=O)C[C@H]3c1ccc(C#CC(C)(C)O)cc1 65396243 QRJMDXSLFGCGTO-SFHVURJKSA-N 373.456 2.917 30 50 FFEA COc1ccc(-n2cccn2)c(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2)c1 71774650 IHSUICBQMVPWMM-BLLLJJGKSA-N 372.432 2.746 30 50 FFEA COc1ccc([C@@H]2C[C@@H]2c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)cc1 1857799402 ZVZFTFYXVDYFKS-HOTGVXAUSA-N 366.421 2.528 30 50 FFEA C#CCCC1(CCC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)N=N1 2325892307 IIAYYAGLWAQICD-WMZOPIPTSA-N 353.470 2.764 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H](Cc2cn(C)c3ccccc23)C(=O)O)N=N1 2325900687 FVZKRLRRSGXCSR-INIZCTEOSA-N 366.421 2.646 30 50 FFEA O=C(/C=C\c1ccc(/C=C\C(=O)c2cccc[n+]2[O-])cc1)c1cccc[n+]1[O-] 25692829 VKLARNVFGTZVNZ-XSYHWHKQSA-N 372.380 2.746 30 50 FFEA C=CCn1c(=O)c(C(=O)NCc2ccccc2F)c(O)c2ccccc21 100512156 POCVUCZZLNYIQX-UHFFFAOYSA-N 352.365 2.962 30 50 FFEA C[C@H]1CN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@@H]5[C@@H]32)C[C@@H](C)O1 252693035 ADDHZWLTSYXUMP-NNZVRKLNSA-N 363.498 2.621 30 50 FFEA biogenic N#CC1(CS(=O)(=O)NC(=O)C(F)(F)Cc2ccccc2)CCCCC1 796845970 KRBHJMFJORHSOY-UHFFFAOYSA-N 370.421 2.784 30 50 FFEA COc1ccc([C@@H]2C[C@@H]2c2nc(C#N)c(N3CCCN(C)CC3)o2)cc1 1857798733 MCASJBAYUPORNU-IRXDYDNUSA-N 352.438 2.968 30 50 FFEA CCOC(=O)[C@@H]1C(=O)C[C@](O)(c2ccccc2)[C@@H](C#N)[C@H]1c1ccccc1 248304035 LOACLDDBDOFPHY-RYTRXMBJSA-N 363.413 2.950 30 50 FFEA N/C(=N\OC(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 5091477 URHGXFIFDWIWFI-UHFFFAOYSA-N 364.155 2.835 30 50 FFEA N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](Oc2cccc(F)c2)C1 183243129 HUHKRGZFJNTIDA-INIZCTEOSA-N 364.373 2.678 30 50 FFEA CN(C(=O)OC(C)(C)C)[C@H](CN=c1cc[nH]c(C#N)n1)Cc1ccccc1 871073649 HUZZFFXZKADIHM-INIZCTEOSA-N 367.453 2.660 30 50 FFEA N#Cc1ccc(CS(=O)(=O)NC(=O)c2cnc(-c3ccoc3)s2)cc1 170635718 PCVQYMWAJBBIOG-UHFFFAOYSA-N 373.415 2.535 30 50 FFEA O=C(/C=C\c1ccc(/C=C/C(=O)c2cc[n+]([O-])cc2)cc1)c1cc[n+]([O-])cc1 19908275 XHLSCWAKZXCENT-CGXWXWIYSA-N 372.380 2.746 30 50 FFEA O=C(c1cccc(C#CCO)c1)N1CCN(C/C=C/c2ccccc2)CC1 899933930 ZMHBPEOSQBJESJ-BJMVGYQFSA-N 360.457 2.502 30 50 FFEA N#Cc1cccc(N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)n1 72417807 KCWZSDMMYOJMJD-OAQYLSRUSA-N 361.449 2.757 30 50 FFEA Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN([C@@H]3CC[C@@H](C#N)C3)C2)cc1 330252702 OMYWLLFHFSKLAD-FGTMMUONSA-N 361.511 2.678 30 50 FFEA COC[C@@H]1CCCN1C(=O)c1cccc(-c2cnc3c(C#N)cnn3c2)c1 534579725 WCBVEPVWWMLDOG-SFHVURJKSA-N 361.405 2.519 30 50 FFEA C#CCCC1(CCNC(=O)c2cc(O)nc3c2c(C)nn3C(C)C)N=N1 2325893530 CDAKIDLGDUNFRA-UHFFFAOYSA-N 354.414 2.722 30 50 FFEA COCCNc1oc(COc2ccc(Br)cc2)nc1C#N 1805384 DNBATLNPXFNNLC-UHFFFAOYSA-N 352.188 2.946 30 50 FFEA COC[C@H](C)n1c(CCCC(=O)N2CCC(C#N)CC2)nc2cccnc21 77406243 UCSOYWCKNWZEDK-HNNXBMFYSA-N 369.469 2.724 30 50 FFEA CC(C)(C)O[C@H](C(=O)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 154980031 XUBHBTSTXLLNOU-KRWDZBQOSA-N 372.446 2.920 30 50 FFEA COc1cc(C=NN2CCN(Cc3ccccc3)CC2)cc(OC)c1OC 19790541 QOCUDWITGDNBBA-UHFFFAOYSA-N 369.465 2.864 30 50 FFEA Cc1ncsc1CCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C#N)cc1 218375038 OYCKNSADYLWGCV-IAGOWNOFSA-N 371.462 2.609 30 50 FFEA N#Cc1c(NC(=O)COCC(=O)O)sc2c1CC[C@H](c1ccccc1)C2 17075867 YIIZKVZOIMEOKS-ZDUSSCGKSA-N 370.430 2.932 30 50 FFEA N/C(=N\OC(=O)COc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 5073106 LBYJZDQRUVELCN-UHFFFAOYSA-N 365.345 2.991 30 50 FFEA C=C(Cl)CCC(=O)NCCN(CC)C(=O)Cc1cc(C2CC2)on1 2325867663 BMPODPBGNJJURU-UHFFFAOYSA-N 353.850 2.592 30 50 FFEA C=CCC(=O)N1C[C@@H](C)CN(C(=O)C(Br)=C(C)C)C[C@H]1C 2325878313 KWBZKHLYHNGAKW-QWHCGFSZSA-N 357.292 2.947 30 50 FFEA CC[C@H]1CCc2c(sc(NC(=O)CN3CCN(CC)CC3)c2C#N)C1 20581430 GJPILIXFOHTXOH-AWEZNQCLSA-N 360.527 2.711 30 50 FFEA CC(C)(C)OC(=O)NCCCN1CCCN(c2ccccc2C#N)CC1 253420566 YJTVUPGXYAHZRE-UHFFFAOYSA-N 358.486 2.985 30 50 FFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cnn(C)c1C 2759197 MKVRPTQVCYBAOQ-KRWDZBQOSA-N 357.454 2.896 30 50 FFEA COCCNC(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 488086695 KUPPMUSUEPDRGW-AWEZNQCLSA-N 366.421 2.817 30 50 FFEA C=CCn1ncc(CN(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c1C 820505360 RCUJJXCWHFELQS-IBGZPJMESA-N 359.495 2.567 30 50 FFEA Cc1ccc([C@H]2c3nc[nH]c3CCN2Cc2cc(C#CCO)cs2)o1 67851995 CJRWKIQGBDZUDO-IBGZPJMESA-N 353.447 2.864 30 50 FFEA C[C@]1(O)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1O 1565517066 WYRMBKUQFMGZPG-RTWAWAEBSA-N 350.462 2.704 30 50 FFEA Cc1nc(N)nc(N[C@H]2COCC[C@@H]2Oc2ccc(C#N)cc2)c1Cl 1565508889 XIZFIGPJHLAQGH-KBPBESRZSA-N 359.817 2.541 30 50 FFEA C=CCN1C[C@@H](C(=O)NCc2cccnc2Oc2ccccc2)CC1=O 11753538 GQYHLAQYNQONDT-INIZCTEOSA-N 351.406 2.525 30 50 FFEA COc1ccc(CN2C[C@H](NC(C)=O)CC[C@@H]2C(F)(F)F)cc1C#N 492670627 QXKLJMDFDJGCMF-GDBMZVCRSA-N 355.360 2.598 30 50 FFEA CCOC(=O)c1sc(NC(=O)CSc2ncccn2)c(C#N)c1C 2448761 NVQPPBBDHPAGGN-UHFFFAOYSA-N 362.436 2.626 30 50 FFEA C=C(C)CN(C)Cc1cnc(S(=O)(=O)CC)n1CCc1ccccc1 55196090 OXBBJQNVGCNLDW-UHFFFAOYSA-N 361.511 2.927 30 50 FFEA COc1nccc(N[C@H]2CC(=O)N(CCCc3ccccc3)C2)c1C#N 72153249 MRZWBMGTIRPFGR-INIZCTEOSA-N 350.422 2.607 30 50 FFEA C#CCCC1(CCC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)N=N1 1875368874 BKGQGLMTOJMPMR-AAEUAGOBSA-N 365.480 2.827 30 50 FFEA C=C(Cl)Cn1c(=O)c(CNCCn2ccnc2)cc2ccc(F)cc21 11912000 LYLKFVNRXPJRSL-UHFFFAOYSA-N 360.820 2.879 30 50 FFEA N#Cc1ccccc1CN1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857728876 PSUAOKHUZKDBSU-SFTDATJTSA-N 361.445 2.560 30 50 FFEA N#Cc1cccc(-c2nnc(N3C[C@@H]4C[C@H]3[C@H]3C[C@H]34)n2C[C@@H]2CCCO2)c1 2325839449 UOLKYOIAIZLCBK-VMXHOPILSA-N 361.449 2.840 30 50 FFEA C#CCCC1(CCNC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)N=N1 2325890945 FZOMFHXODICVTF-CQSZACIVSA-N 374.388 2.673 30 50 FFEA O=S(=O)(NC1CC1)c1ccc(N/N=C2\C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)nc1 1875390900 AHLJSRPYYHMZGL-KUWXNYHWSA-N 360.483 2.746 30 50 FFEA C#CCN(CCO)C(=O)c1cc2sc(=Nc3ccccc3)[nH]c2s1 1875391693 UODQAPYXRFXTIV-UHFFFAOYSA-N 357.460 2.591 30 50 FFEA C=CCS(=O)(=O)N[C@H](C)c1cnc(N(C)C2CCCCC2)nc1C 12196364 HPDCCSKWDFUEAM-CQSZACIVSA-N 352.504 2.720 30 50 FFEA COc1ccccc1CC(=O)N1CCC(NCc2ccc(C#N)cc2)CC1 131583653 DCJUPHRNUGRDNC-UHFFFAOYSA-N 363.461 2.890 30 50 FFEA C=C(Cl)CCC(=O)N(C)C[C@H](C)NC(=O)Cc1cc(C2CC2)on1 2325867968 KLIPSKBOARKPEW-LBPRGKRZSA-N 353.850 2.590 30 50 FFEA C#CCCC1(CCC(=O)N2CCC[C@H](Cc3nc(C(=O)O)cs3)C2)N=N1 2325900827 KQOJMVPUSSQLGB-CYBMUJFWSA-N 374.466 2.978 30 50 FFEA C=CCNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 2064950 WBEPBCUSVGPMQK-UHFFFAOYSA-N 360.435 2.547 30 50 FFEA O/C(=N/[C@@H]1CCc2ccccc2C1)N1CCN(c2cccc(O)c2)CC1 328808827 LUJOIKYNVRSXPB-GOSISDBHSA-N 351.450 2.986 30 50 FFEA Cn1cccc1C(=O)[C@H](C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 123443170 NEOWTDNISGPDNA-NSHDSACASA-N 352.419 2.692 30 50 FFEA Cc1cc(-c2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2)nc(C)c1C#N 534647824 IJPPDHZZKJOSFD-QGZVFWFLSA-N 362.433 2.575 30 50 FFEA O=C1C(Cl)=C/C(=N/S(=O)(=O)c2ccccc2)C=C1Br 16134197 KSEVDEPQKVOEAT-OVCLIPMQSA-N 360.616 2.801 30 50 FFEA Cc1cc(S(=O)(=O)NC2CCN(c3ccccc3)CC2)ccc1C#N 332491783 CNZMMLSHSQWYHY-UHFFFAOYSA-N 355.463 2.814 30 50 FFEA C=CCn1c(SCC(=O)Nc2nccs2)nc2ccccc2c1=O 784862 WZRWNHUHHAELPZ-UHFFFAOYSA-N 358.448 2.770 30 50 FFEA Cc1n[nH]cc1C/N=C(/O)N1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1 328637800 OVLUWSLYVMSPRQ-MRXNPFEDSA-N 371.489 2.560 30 50 FFEA COCCN1CC2(CCC1=O)CCN(c1nc(C(C)C)ccc1C#N)CC2 91547061 UIRQWFSCJVOFJG-UHFFFAOYSA-N 370.497 2.932 30 50 FFEA C#CCCC1(CCC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)N=N1 2325892304 IIAYYAGLWAQICD-AEFFLSMTSA-N 353.470 2.764 30 50 FFEA C=CCN(CC=C)C(=O)CSc1nnc2c3ccccc3n(C)c2n1 1117083 WNLKPRSOHOQJGW-UHFFFAOYSA-N 353.451 2.809 30 50 FFEA Cc1nc(O)c(C#N)cc1C(=O)N[C@H]1CCCN(CC2CCCCC2)C1 72170093 CFXHZRFXTDFXAS-KRWDZBQOSA-N 356.470 2.742 30 50 FFEA N#Cc1ccc(-c2cccc(C(=O)NC[C@]3(O)CCCNC3)c2)cc1Cl 426359519 JVPHOCOJGZHWNG-FQEVSTJZSA-N 369.852 2.723 30 50 FFEA O=C1Nc2ccc(F)cc2/C1=N\N/C(=N/c1ccccn1)c1ccccn1 6045903 GBQFAJHUXNDBPM-UHFFFAOYSA-N 360.352 2.640 30 50 FFEA O=C1C[C@@H](NCc2ccc(C#CCCO)cc2)CN1C1CCCCCC1 12703392 CZDJNHGWJNPEPS-HXUWFJFHSA-N 354.494 2.834 30 50 FFEA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(C#N)cc3F)C1)CC2 2356155930 OCYPUBOMZGDJBX-HXUWFJFHSA-N 350.397 2.916 30 50 FFEA O=C(/C=C/c1ccc(/C=C/C(=O)c2cccc[n+]2[O-])cc1)c1cccc[n+]1[O-] 25692840 VKLARNVFGTZVNZ-PHEQNACWSA-N 372.380 2.746 30 50 FFEA N#Cc1cncc(S(=O)(=O)N2C[C@H]3CCCCN3c3ccccc32)c1 294694791 UBRMRBQTEFFWRP-OAHLLOKOSA-N 354.435 2.521 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3F)C2)o1 1506398807 FSVAPKXJOMWPKD-OAHLLOKOSA-N 370.424 2.797 30 50 FFEA CC(=O)c1cccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)c1 1565516611 WRRBDDRCJNGOAS-PMACEKPBSA-N 364.401 2.727 30 50 FFEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2cccn2C2CC2)cc1 1565514924 GKNOMOWRPKFKDT-HKUYNNGSSA-N 351.406 2.661 30 50 FFEA Cc1cccc(C)c1OC1CN(C(=O)c2ccc(C#CC(C)(C)O)o2)C1 1506404917 VYULEGXEZNURQI-UHFFFAOYSA-N 353.418 2.922 30 50 FFEA CN(CCOc1ccccc1C#N)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328650647 VPLKMJLKKMAJMV-GHTZIAJQSA-N 367.497 2.685 30 50 FFEA CC(C)(O)C#Cc1ccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)cc1 36385592 PENUBTJXVUCTJO-JOCHJYFZSA-N 370.537 2.620 30 50 FFEA CC(=O)Nc1cccc(OC/C(O)=N/S(=O)(=O)c2ccc(C)cc2)c1 704026 NVSJVXBIQAXAAN-UHFFFAOYSA-N 362.407 2.678 30 50 FFEA C=CCC1(CC=C)CCCN1C(=O)Cn1nnnc1CN1CCCCCC1 19229215 NGLDYXSPKUHZBQ-UHFFFAOYSA-N 372.517 2.563 30 50 FFEA C=CCN(CC=C)Cc1cnc(S(=O)(=O)CCC(C)C)n1CCOC 19300033 SNKQAXPYSRBPLQ-UHFFFAOYSA-N 369.531 2.523 30 50 FFEA COc1cc([C@@H]2NC(=S)NC(C)=C2C(C)=O)cc(Br)c1O 6857139 GGPNSTXLLFOZLM-LBPRGKRZSA-N 371.256 2.545 30 50 FFEA C=CCN(C(=O)Cc1c(C)[nH]c2c(C)cc(C)cc12)[C@@H]1CCS(=O)(=O)C1 67935293 VTGHJSMNKWFHIB-MRXNPFEDSA-N 374.506 2.837 30 50 FFEA O=S(=O)(/N=C(\O)OC[C@@H]1CCCN2CCCC[C@H]12)Oc1ccccc1 19848928 VHCVKDWHJIEYJP-GOEBONIOSA-N 368.455 2.505 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(C(=O)NCc1ccc(OC)cc1)CC2 91320007 KSPWFUUFHVHOBD-UHFFFAOYSA-N 371.481 2.795 30 50 FFEA Cc1c(CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)cc(C#N)n1C 1529173514 XJFWZOXTKSYEBP-XMSQKQJNSA-N 360.461 2.789 30 50 FFEA CCOc1cc(C(=O)O/N=C(\N)c2cccnc2)cc(OCC)c1OCC 4178302 RQMNGZNATNCPFE-UHFFFAOYSA-N 373.409 2.755 30 50 FFEA COc1cc(/C=N/n2c(S)nnc2-c2ccccn2)cc(OC)c1OC 16956988 GVKMDIMHOJJMEU-VXLYETTFSA-N 371.422 2.537 30 50 FFEA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)C=CC(=O)[C@@H]12 100012079 DCGCFQBJRLWZID-OSTYVCCYSA-N 372.031 2.588 30 50 FFEA C=CCN1C[C@@H](C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2C)CCC1=O 55098844 KFMBXDVPIXEZFD-HNNXBMFYSA-N 371.481 2.886 30 50 FFEA COC(=O)c1cc(C#N)c(N2CCC[C@H](OCc3ccccn3)C2)nc1C 77406088 VKWCHBUZZSEVIC-KRWDZBQOSA-N 366.421 2.629 30 50 FFEA C[C@H](NC(=O)c1cc(O)nn1C)c1nc(-c2ccc(C#N)cc2)cs1 1875317765 CZVSFASFJAZBST-JTQLQIEISA-N 353.407 2.612 30 50 FFEA N#C[C@@H]1CC[C@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 278654028 QAEMWQLCYUOGSZ-APWZRJJASA-N 369.490 2.838 30 50 FFEA Cc1cc(C#N)ccc1S(=O)(=O)N1Cc2ccccc2N(C)C[C@H]1C 246627959 YMRDECMKTZAQBX-OAHLLOKOSA-N 355.463 2.896 30 50 FFEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccco1 19882569 OAHUCMQJANXRCR-QGZVFWFLSA-N 372.396 2.949 30 50 FFEA CC1(C)OB(c2cccc(OC(F)(F)F)c2/C=C/C(=O)O)OC1(C)C 170007757 NOTHTQNZBIAZPR-CMDGGOBGSA-N 358.121 2.982 30 50 FFEA COc1cc(Cl)cc(CN2CCN(c3ncccc3C#N)CC2)c1OC 65404390 XHPGELOLQUXQJS-UHFFFAOYSA-N 372.856 2.946 30 50 FFEA Cc1cc(=N/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cc[nH]1 328616467 BSVGGYSOFIPNNG-NSHDSACASA-N 353.348 2.616 30 50 FFEA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 331806766 KPQPBKVCZYHQDR-LLVKDONJSA-N 351.332 2.658 30 50 FFEA C=CCn1c(S)nc2cc(C(=O)N3C[C@@H]4CCC[C@H]4C3)ccc2c1=O 153793830 YWEOCTDKQCYDMJ-KBPBESRZSA-N 355.463 2.743 30 50 FFEA C[C@@H](Cc1ccccc1)[n+]1c/c(=N\C(=N\Cc2ccccc2)N(C)C)o[nH]1 137071307 WDLGCTGLMFRNAI-HARPCAATSA-N 364.473 2.717 30 50 FFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 95347207 LCLABDHKXTVHRE-KRWDZBQOSA-N 372.377 2.831 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)O)N=N1 952876216 HAJUFJVOZPGAOZ-INIZCTEOSA-N 370.384 2.775 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)N=N1 952883235 VJAUBQAVRHKRIE-UHFFFAOYSA-N 367.453 2.649 30 50 FFEA CC1=C/C(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C)=C(Cl)C1=O 16115772 SJLNPHWGWCJRBJ-FOWTUZBSSA-N 354.771 2.766 30 50 FFEA O=C(O)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 17994055 DQWVHUWFAPXMGA-QGZVFWFLSA-N 369.348 2.879 30 50 FFEA OC[C@@]1(F)CCN(/C(O)=N/C2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)C1 328680548 CAWUBUYRVNKKPS-AQDPXUSMSA-N 361.461 2.502 30 50 FFEA C[C@H](/N=C(/O)N1C[C@H]2COC[C@@H](C1)O2)c1ccc(Br)cc1F 329352302 FPIKOLBIAJUZQY-ZMLRMANQSA-N 373.222 2.663 30 50 FFEA N/C(=N\OC(=O)c1cccc(I)c1)c1ccccc1 4992182 NSPDMDFOADWFPV-UHFFFAOYSA-N 366.158 2.769 30 50 FFEA N#Cc1cccc(N2CCN(C(=O)c3cccc(Cn4cccn4)c3)CC2)c1 92045674 FPDQYKQSHKNQDD-UHFFFAOYSA-N 371.444 2.765 30 50 FFEA C=CCNC(=S)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 17075494 QQWMAFIPUVXNFS-ZIAGYGMSSA-N 367.540 2.826 30 50 FFEA COc1ccc(Cl)cc1NC(=O)C[C@H]1CC(C(C)=O)=C(C)NC1=O 1857526070 HASFCCYAMWTOMI-LLVKDONJSA-N 350.802 2.676 30 50 FFEA C=CCNC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 2815719 ZOXWZJJBRGPRBY-UHFFFAOYSA-N 358.463 2.877 30 50 FFEA C#CC(C)(C)N(C)S(=O)(=O)c1cc(N(C)C)ccc1Br 170616355 KYUWNPZFFAHMCD-UHFFFAOYSA-N 359.289 2.547 30 50 FFEA Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)CC2)o1 170608010 IGBPYVWQFVFMEX-SJORKVTESA-N 368.412 2.883 30 50 FFEA Cc1ccc(S(=O)(=O)/N=C(\O)NCCc2c[nH]c3ccccc23)cc1 1409242 IUPSPKWOEHJPOA-UHFFFAOYSA-N 357.435 2.911 30 50 FFEA C#CCCC1(CCC(=O)N[C@@]2(C(=O)OCC)CCc3ccccc32)N=N1 2325885757 WLKZNSADIUUGKB-FQEVSTJZSA-N 353.422 2.863 30 50 FFEA COc1cc2c(cc1-c1cc(-c3ccn(C)c3)nc(N)c1C#N)OCCO2 67955194 ZPOZBTGFVJEFKD-UHFFFAOYSA-N 362.389 2.988 30 50 FFEA C[C@H]1CCN(/C(O)=N/C[C@@H](C)Oc2cccc(Br)c2)[C@H]1CO 331290971 PACDWVFWMMTEHY-ZOWXZIJZSA-N 371.275 2.833 30 50 FFEA CN(Cc1ccccc1C#N)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 370890840 GUMNTEMCZTVOHW-SFHVURJKSA-N 351.454 2.915 30 50 FFEA CC1(C)OB(c2cnc(Cl)c(OCCN3CCCCC3)c2)OC1(C)C 252492463 MNAJHYAIOUHFTB-UHFFFAOYSA-N 366.698 2.899 30 50 FFEA CC(C)n1cccc1C(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C#N)cc1 1565512607 LUVDYCQNYJMWCR-HKUYNNGSSA-N 353.422 2.907 30 50 FFEA CC1(C)OB(c2cccc(CN3C(=O)c4ccccc4C3=O)c2)OC1(C)C 169746905 VUVHVGXLUGUXHJ-UHFFFAOYSA-N 363.222 2.782 30 50 FFEA in-vitro C=CCC(O)(CC=C)CNC(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12705837 NFAWGRMLYKDFHW-SFHVURJKSA-N 362.514 2.805 30 50 FFEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1ccco1)C2 14543268 XBGKQDNNKWPKCU-INIZCTEOSA-N 368.481 2.935 30 50 FFEA C=CCNC(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1 14967182 XRQNQAUDQHYADU-NRFANRHFSA-N 355.482 2.829 30 50 FFEA COC(=O)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1 4172007 DUHIRWVGVUUHNM-MRXNPFEDSA-N 352.394 2.723 30 50 FFEA C#CCCC1(CCC(=O)N[C@H](c2ccccc2)C2(CO)CCOCC2)N=N1 2325892129 AJQLDBHDRDXTLL-LJQANCHMSA-N 369.465 2.989 30 50 FFEA O/C(=N/Cc1nc(C(F)(F)F)n[nH]1)N1CCC[C@H](c2nccs2)C1 330165870 XJGZFCOIHSHFMT-QMMMGPOBSA-N 360.365 2.574 30 50 FFEA Cc1nc(O)c(C#N)cc1C(=O)N[C@@H]1CCCN(CC2CCCCC2)C1 72170092 CFXHZRFXTDFXAS-QGZVFWFLSA-N 356.470 2.742 30 50 FFEA CCn1cc(CN2CCn3nc([C@@H](O)c4ccccc4)cc3C2)cc1C#N 221221108 RCHPXQIRVHXNHI-NRFANRHFSA-N 361.449 2.674 30 50 FFEA N#Cc1cc(I)cc(C(=O)O)c1Br 263625370 ZHEILWHNPIZFSU-UHFFFAOYSA-N 351.925 2.624 30 50 FFEA Cc1ccc2c(c1)/C(=N/Nc1nnc3c(n1)[nH]c1ccc(C)cc13)C(=O)N2 4595517 NVWLCHRSGWGOJF-UHFFFAOYSA-N 357.377 2.891 30 50 FFEA CN(C)c1n[nH]c(C2CCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)n1 328801439 JDIKPBNAKUEGGG-UHFFFAOYSA-N 365.363 2.540 30 50 FFEA CC(C)c1ccn(C2(C(=O)O)CCN(Cc3ccc(C#N)cc3)CC2)n1 72421744 FJNAIBJESDYEFE-UHFFFAOYSA-N 352.438 2.954 30 50 FFEA COc1ccc(C2(C/N=C(/O)N[C@@H]3CC(=O)N(C)C3)CCCCC2)cc1 329930216 OHHHBIXQGLOJJB-MRXNPFEDSA-N 359.470 2.631 30 50 FFEA COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)C2=CC(=O)CC(C)(C)O2)C1 12587377 CDUUQEIXJYCLIY-CQSZACIVSA-N 371.433 2.768 30 50 FFEA N#Cc1cccc(CN2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)c1 1857740725 WVBRTWJBMRMFTQ-SFTDATJTSA-N 361.445 2.560 30 50 FFEA C#CCCC1(CCC(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)N=N1 2325892690 XBOULFOROMWMQU-INIZCTEOSA-N 367.453 2.923 30 50 FFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 281493514 QGRNJRFZOQOVNM-UMGGQSCQSA-N 356.466 2.694 30 50 FFEA C=C(C)CN(C)c1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 20540056 VJEMDLUYOLCZLN-UHFFFAOYSA-N 370.497 2.569 30 50 FFEA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C#N)CCc2ccccc2C1 289209420 WKIGIXPLDVEILM-OPYAIIAOSA-N 364.449 2.548 30 50 FFEA COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1cccc([N+](=O)[O-])c1O 3122959 JXOOBZSGYFVSPC-CTJICSLTSA-N 367.361 2.985 30 50 FFEA COc1cc(/C=N/n2cnnc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1161095 HXLRVYVYGUBEHG-AWQFTUOYSA-N 353.338 2.656 30 50 FFEA N#Cc1c(N2C(=O)c3ccc(C(=O)O)cc3C2=O)sc2c1CCCC2 4867274 QABAZYPYDHIBNA-UHFFFAOYSA-N 352.371 2.997 30 50 FFEA C[C@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)Cc1ccc(F)cc1C#N 331827000 NFXPXTLUQQLFEY-IFXJQAMLSA-N 374.437 2.989 30 50 FFEA N#Cc1ccc(O[C@H]2CCN(C(=O)c3cccc(C(F)(F)F)n3)C2)nc1 452009982 QDPBHWHDYOCDPB-LBPRGKRZSA-N 362.311 2.661 30 50 FFEA CCc1nc(C(C)C)ccc1CSc1nc(=O)n2ncc(C#N)c2[nH]1 2325863286 CQDLQNCPFFKLJF-UHFFFAOYSA-N 354.439 2.662 30 50 FFEA Cc1ccc(S(=O)(=O)/N=C(/c2ccc(F)cc2)N2CCOCC2)cc1 100970711 DTFMVBMEXCOEQE-ZZEZOPTASA-N 362.426 2.602 30 50 FFEA Cc1cc(CN(C)c2ccc(C#N)c(N(C)Cc3cc(C)on3)n2)no1 170606579 IDIRASWOBSFSJM-UHFFFAOYSA-N 352.398 2.819 30 50 FFEA N/C(=N\OS(=O)(=O)c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 5093748 FXDNTERDHZYUFP-UHFFFAOYSA-N 371.374 2.774 30 50 FFEA C#CC(C)(C)OC[C@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 12381137 SPZBELCEWZYPKC-QGZVFWFLSA-N 370.415 2.617 30 50 FFEA N#Cc1nc(-c2ccccc2F)oc1N1CCN(C(=O)c2ccco2)CC1 6698091 HFWHCSWCUNUQMC-UHFFFAOYSA-N 366.352 2.908 30 50 FFEA COc1ccc(/C=N/OCC(=O)OCc2ccc(-n3ccnc3)cc2)cc1 2325749433 TXOJRMXQZKFBLL-WSDLNYQXSA-N 365.389 2.975 30 50 FFEA C#CCCC1(CCC(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)N=N1 2325892537 RCEGZYOFRRHCCN-PXNSSMCTSA-N 369.465 2.911 30 50 FFEA C=C(C)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 1141988 AYOLEPGOTMWVBW-UHFFFAOYSA-N 356.403 2.503 30 50 FFEA C=CCOc1ccc(Br)cc1CNCCCN1CCOCC1 2860807 CPNKHGJLZXXMAV-UHFFFAOYSA-N 369.303 2.826 30 50 FFEA C[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2ccccc2)C1 253531320 CIJLSRBESACKHW-SNPRPXQTSA-N 363.421 2.642 30 50 FFEA Cc1ccc(S(=O)(=O)N/N=C/c2cc(Br)c(C)o2)cc1 1174220 REXJVZVJKKBNNS-OVCLIPMQSA-N 357.229 2.971 30 50 FFEA CCC#CCN1C[C@@H]2CN(C(=O)COCC)C[C@@]2(CCc2ccccc2)C1 1772708163 DKYBOYAWXFRBEL-FYYLOGMGSA-N 368.521 2.830 30 50 FFEA O=C(O)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 13000414 DQWVHUWFAPXMGA-KRWDZBQOSA-N 369.348 2.879 30 50 FFEA N#Cc1cc2c(=O)n(CCc3ccccc3C(F)(F)F)ccc2[nH]c1=O 67804425 BAZWZAUDUXSFEA-UHFFFAOYSA-N 359.307 2.823 30 50 FFEA N#Cc1cc(-c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)ccc1F 426369944 NHYSTZFGHKBQTP-UHFFFAOYSA-N 351.381 2.702 30 50 FFEA CCOc1ccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)o1 1565507685 MBHOPAPHWJOKPZ-RDJZCZTQSA-N 356.378 2.516 30 50 FFEA CCc1nc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)[nH]c(=O)c1C#N 5239013 BDLGUCYCTFFOFX-SECBINFHSA-N 362.842 2.977 30 50 FFEA N#Cc1cccc(CN2CCC(Nc3ncnc4c3nnn4C3CC3)CC2)c1 1857527456 LZDZDOODUGWBPP-UHFFFAOYSA-N 374.452 2.504 30 50 FFEA C#CCCC1(CCNC(=O)c2nnn(Cc3ccccc3)c2CC)N=N1 2325891511 LTIFRHLRCJQRQS-UHFFFAOYSA-N 350.426 2.584 30 50 FFEA C=CCn1c(S)nc2cc(C(=O)N3C[C@H]4CCC[C@H]4C3)ccc2c1=O 153793605 YWEOCTDKQCYDMJ-OKILXGFUSA-N 355.463 2.743 30 50 FFEA COc1cc(Cl)cc(-c2c(C#N)c(N)nc3c2C[C@H](N)CC3)c1OC 71754271 WQFVYDNBPIMZNV-SNVBAGLBSA-N 358.829 2.689 30 50 FFEA N#Cc1ccccc1Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O 263617228 MULFZKRJWCIOGU-UHFFFAOYSA-N 374.375 2.714 30 50 FFEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2ncc(C#N)cc2Cl)C1 888103403 YFOHZDHFIQOWRY-OCCSQVGLSA-N 359.817 2.549 30 50 FFEA N#Cc1c(F)cccc1N1CCC[C@@H](c2[nH]ncc2CN2CCOCC2)C1 275517071 DOSJAFXZWZTHEY-OAHLLOKOSA-N 369.444 2.637 30 50 FFEA Cc1cc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c(C#N)c(C)n1 328634220 TULJZPOSAGYOQC-OXJNMPFZSA-N 352.486 2.823 30 50 FFEA O/C(=N/CCOc1ncccc1C(F)(F)F)N1CCOCC2(CCC2)C1 329525147 QVRIDKPGWVAUCC-UHFFFAOYSA-N 373.375 2.896 30 50 FFEA CN(C)/C=C\C(=O)[C@H](Cc1c(F)cccc1Cl)C(=O)/C=C/N(C)C 250339936 KVZJOAJNYCILEU-UCZJFBSDSA-N 352.837 2.927 30 50 FFEA N#Cc1cccc(CS(=O)(=O)N2CC[C@]3(C2)OCc2ccccc23)c1 185137652 ZVRKGZWHGTUUNN-LJQANCHMSA-N 354.431 2.519 30 50 FFEA CCN(CC)C(=O)c1cn(CCC#N)nc1-c1ccc(OC)c([N+](=O)[O-])c1 3356889 OGSQJBXLUUMLHV-UHFFFAOYSA-N 371.397 2.863 30 50 FFEA CSc1cc(NN=C(O)C2CCN(c3oc(C)nc3C#N)CC2)ncn1 328591294 OWDGFHRYPLQARJ-UHFFFAOYSA-N 373.442 2.567 30 50 FFEA N#C[C@@H]1CN(C(=O)c2ccccc2Cn2cncn2)C[C@H]1c1ccccc1 366550031 FUCIIAOHGRORDM-QUCCMNQESA-N 357.417 2.706 30 50 FFEA COc1cccc(CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1F 192713859 SCUSTJOCODOWSG-KRWDZBQOSA-N 353.397 2.597 30 50 FFEA C=CCC(O)(CC=C)CNC(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 12574026 IXBKYWPAWFGILD-KRWDZBQOSA-N 374.456 2.564 30 50 FFEA C=C[C@](C)(O)CCC[C@H](C)C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 2325806946 PRBLPDJGYZPZQB-WMZOPIPTSA-N 371.543 2.690 30 50 FFEA Cc1cnc(C#N)nc1N1CCN(c2ccc(Br)cc2)CC1 2325868306 WARKIMSGASUJFV-UHFFFAOYSA-N 358.243 2.746 30 50 FFEA C=CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 2815669 NBAKQXWVYISGED-UHFFFAOYSA-N 364.854 2.838 30 50 FFEA C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC=C)c(OC)c1 4845266 URTUSZDGQYGBSR-KRWDZBQOSA-N 358.394 2.617 30 50 FFEA Cc1ccccc1N1CCN(C(=O)c2cc(C#N)c(O)nc2C)[C@H](C)C1 77354817 XFMVYMZXOTYBSZ-CQSZACIVSA-N 350.422 2.627 30 50 FFEA COc1cccc([C@@H]2CN(C(=O)c3ccc(C#N)cc3)C[C@H]2C(=O)O)c1 91270108 WRRUUJHTDIQCKW-ZWKOTPCHSA-N 350.374 2.507 30 50 FFEA COc1ccc([S@](=O)(O)=C(C#N)C=Nc2ccc(NC(C)=O)cc2)cc1 334158032 JFXZPZOBLSGMOT-UHFFFAOYSA-N 371.418 2.868 30 50 FFEA CCCC1(C(=O)N2CCC3(CC2)CCN(c2ccc(C#N)nn2)C3)CC1 1875407577 DALPNEJMMKMEKI-UHFFFAOYSA-N 353.470 2.747 30 50 FFEA OC[C@]1(F)CCN(/C(O)=N/C2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)C1 328680549 CAWUBUYRVNKKPS-DLZDZTESSA-N 361.461 2.502 30 50 FFEA COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](Oc2ccccc2)C1 363410549 GOVOEMQESWDEBH-QGZVFWFLSA-N 352.390 2.626 30 50 FFEA Cn1ccnc1[C@H]1CCN(C(O)=Nc2cc(Br)ccn2)C1 329065451 WDLHXPQAACRKRJ-JTQLQIEISA-N 350.220 2.613 30 50 FFEA N#C[C@]1(NC(=O)CN2C(=O)CCc3ccccc32)CCc2ccccc2C1 274458949 JCSZIKALSDVLCU-QFIPXVFZSA-N 359.429 2.533 30 50 FFEA N/C(=N\OC(=O)c1ccc2c(c1)OCO2)c1cccc(Br)c1 13518676 DFDNENYNQFSLEZ-UHFFFAOYSA-N 363.167 2.655 30 50 FFEA C#CCN(Cc1ccco1)C(=O)[C@H]1CCCN(C2CCN(C(C)C)CC2)C1 14957964 OLXFFISAHXINJZ-IBGZPJMESA-N 371.525 2.826 30 50 FFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(O)c1 100084607 MGNHMKRIUQQJCE-SFHVURJKSA-N 357.406 2.932 30 50 FFEA N#Cc1ccnc(-c2cccc(C(=O)N3CCN(CC(F)(F)F)CC3)c2)c1 426491084 SCDQFAZAXBNFRS-UHFFFAOYSA-N 374.366 2.940 30 50 FFEA CSCc1ccc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C#N)cc2)o1 1565527563 GIAULOGYAPIEEZ-IRXDYDNUSA-N 372.446 2.981 30 50 FFEA N#Cc1c(NC(=S)NC(=O)N2CCOCC2)sc2c1CCCCC2 12343589 WLMMWWKCGMPFAS-UHFFFAOYSA-N 364.496 2.627 30 50 FFEA COc1cccc2c1OC[C@@H](NCc1ccc(C#Cc3cncnc3)cc1)C2 15065308 INFYYRHFHJKZKV-NRFANRHFSA-N 371.440 2.978 30 50 FFEA CN(c1cc(C(F)(F)F)cc(C#N)n1)C1CCN(c2cnccn2)CC1 865735018 AGNYRGYPQUGADG-UHFFFAOYSA-N 362.359 2.867 30 50 FFEA CN(Cc1ncccn1)[C@@H]1CCN(/C(O)=N/C2C3CC4CC(C3)CC2C4)C1 330062578 PINSSZRBPVPPSY-ORPJZTTNSA-N 369.513 2.721 30 50 FFEA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(C#N)cc3F)C1)CC2 2356155929 OCYPUBOMZGDJBX-FQEVSTJZSA-N 350.397 2.916 30 50 FFEA C[C@@H](CC#N)OC(=O)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1 113689461 URVFSRUQDOXBNO-NSHDSACASA-N 369.402 2.785 30 50 FFEA N#C[C@H]1CC[C@@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 278654036 QAEMWQLCYUOGSZ-QFBILLFUSA-N 369.490 2.838 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3)C2)o1 12835307 WTQHXQSHIDGXEU-QFIPXVFZSA-N 370.493 2.740 30 50 FFEA C#CCCC1(CCNC(=O)CCc2c(C)nc3cc(C)nn3c2C)N=N1 2325890905 BPIZEBSACJSWBC-UHFFFAOYSA-N 352.442 2.669 30 50 FFEA O=C1C=C[C@@H](Nc2cccc([N+](=O)[O-])c2)[C@@H]1Nc1cccc([N+](=O)[O-])c1 1588914 JWGRDMALPJVFAG-WBVHZDCISA-N 354.322 2.903 30 50 FFEA Clc1cc(I)cc(Cl)c1N=C1NCCN1 2539822 HSRPTPAPMBHRRJ-UHFFFAOYSA-N 355.994 2.778 30 50 FFEA biogenic,in-vitro C=CC[C@]1(CO)CCCN(CC(=O)NCCc2ccc(Cl)cc2)C1 91288579 YUKRNPIGKLSNFR-IBGZPJMESA-N 350.890 2.649 30 50 FFEA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1ncc(C#N)cc1Cl 328622638 IOLSBCIJSVFRFV-WMLDXEAASA-N 358.877 2.859 30 50 FFEA N#Cc1cccnc1-c1cccc(-c2ccn(CCN3CCOCC3)n2)c1 19638993 QTBCSXJTJMPZOH-UHFFFAOYSA-N 359.433 2.816 30 50 FFEA COc1cc2c(cc1-c1c(C#N)c(N)nc3c1[C@@H]1CC[C@H](C3)N1C)OCO2 71304179 DDAVQUHELZDRIH-YGRLFVJLSA-N 364.405 2.631 30 50 FFEA COc1ccc(/C(N)=N/OC(=O)[C@@H](C)Oc2ccccc2C)cc1OC 4833406 RHLZEBGXDPCMHI-CYBMUJFWSA-N 358.394 2.643 30 50 FFEA NS(=O)(=O)c1ccc(N/C(S)=N\Cc2cccc(Cl)c2)cc1 8682694 RRUSFYDULQZPSW-UHFFFAOYSA-N 355.872 2.885 30 50 FFEA COc1ccccc1-n1cc(-c2cc(-c3cnn(C)c3)c(C#N)c(N)n2)cn1 71777158 JLIMDTAEMNVHQE-UHFFFAOYSA-N 371.404 2.797 30 50 FFEA COc1ccc(/C=N/N2CCN(c3ccccc3OC)CC2)cc1OC 1193571 SKXKUZMIOIVPJG-RCCKNPSSSA-N 355.438 2.869 30 50 FFEA Cc1sc2ncn(CC(=O)N3CCCC(C)(C)[C@@H]3C#N)c(=O)c2c1C 241139414 JQRCSEMNZUVOPF-ZDUSSCGKSA-N 358.467 2.616 30 50 FFEA C[C@@]1(Br)C[C@H]1C(=O)NC1(c2cccc(C#N)c2)CCOCC1 862206039 CGRPWWFXUNBRDE-GOEBONIOSA-N 363.255 2.854 30 50 FFEA COCc1nc([C@H]2CN(c3ncc(C#N)cc3Cl)C[C@@H]2C2CC2)n[nH]1 952850359 LLTLDGNXCPREMP-OLZOCXBDSA-N 358.833 2.501 30 50 FFEA COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(C)c1C#N 191092243 BNVQOUMYIDZDMX-UHFFFAOYSA-N 350.421 2.824 30 50 FFEA Cc1ccc(-c2nnc(S)n2/N=C/c2ccccc2OCC(=O)O)cc1 4899175 KGVZMTOTLCTJRL-VXLYETTFSA-N 368.418 2.888 30 50 FFEA C=CCOc1c(Cl)cc(CN2CC[C@@H](C(=O)NCC)C2)cc1OC 55199734 LHSDXZPQVYFSRE-CQSZACIVSA-N 352.862 2.871 30 50 FFEA N#Cc1cc(=NS(=O)(=O)c2cc(Cl)cc(Br)c2)cc[nH]1 1875316737 DIEKFCYIIQFEFF-UHFFFAOYSA-N 372.631 2.592 30 50 FFEA O=C(/C=C/NN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 1195932 CLZCBGUDGJFKEO-MDZDMXLPSA-N 371.190 2.946 30 50 FFEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C)c1Br 169951922 VMAKRZVUMPUYLB-UHFFFAOYSA-N 355.037 2.843 30 50 FFEA COc1cc(C#N)ccc1OC[C@H]1CCCN(C(=O)Cc2cccnc2)C1 1857726516 VKGOCYHZBOMSGZ-SFHVURJKSA-N 365.433 2.822 30 50 FFEA N#Cc1ccc(F)c(CS(=O)(=O)NCc2ccccc2-n2ccnc2)c1 120796015 HSFYQTRIPDYHEB-UHFFFAOYSA-N 370.409 2.503 30 50 FFEA C=C[C@](C)(O)CCC[C@@H](C)C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 2325806943 PRBLPDJGYZPZQB-AEFFLSMTSA-N 371.543 2.690 30 50 FFEA C#CCCC1(CCC(=O)N2CCC[C@H](c3ccnc(COC)n3)C2)N=N1 2325900912 NJUKARQQUNIJNQ-HNNXBMFYSA-N 355.442 2.685 30 50 FFEA COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC 2690408 MLUZYIBFCSERSX-HNNXBMFYSA-N 357.406 2.796 30 50 FFEA C=CC[C@]1(C(=O)NC2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C 225621717 JVULHJMQBZNNCH-LJQANCHMSA-N 351.491 2.543 30 50 FFEA N#Cc1cccnc1NCc1cccnc1N1CCN(c2ccccn2)CC1 67967511 WHCKORROMINDDK-UHFFFAOYSA-N 371.448 2.682 30 50 FFEA Cc1nn2cc(CNC(=O)CC3=C(c4ccccc4)CCC3=O)nc2s1 218802773 QTKXVFACKLGWQG-UHFFFAOYSA-N 366.446 2.922 30 50 FFEA C=CC[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@H]2[C@H](C(=O)OC)[C@H]3C=C[C@]21O3 239403215 RQCWAQWAWPQZFH-PPLBCVRQSA-N 359.809 2.744 30 50 FFEA COc1cccc2c1CC[C@@H]2/N=C(/O)N1CCN(Cc2cscn2)CC1 329923681 HEFSGLDFAJGKCU-KRWDZBQOSA-N 372.494 2.871 30 50 FFEA N#Cc1ccccc1N1CCN(C(=O)c2cc3ccccc3cc2O)CC1=O 82099888 HXRQKJFLVZMQHP-UHFFFAOYSA-N 371.396 2.906 30 50 FFEA C=CCC(=O)N1CC[C@]2(CCCN(Cc3cccc(OC)c3OC)C2=O)C1 19147972 UDNYTCQJJLOQKK-OAQYLSRUSA-N 372.465 2.621 30 50 FFEA C[C@H](Oc1cccc(Cl)c1)C(=O)O/N=C(\N)c1cccc([N+](=O)[O-])c1 4985724 YPDGNGJROLDPNO-JTQLQIEISA-N 363.757 2.879 30 50 FFEA COC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N\C(C)=O)NC3=O)o2)cc1 22135410 WXVYGPGSCOXLGH-OQLLNIDSSA-N 370.386 2.840 30 50 FFEA C[C@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)Cc1cccc(F)c1 82109257 ILLROHGOLGQTEF-AWEZNQCLSA-N 351.381 2.504 30 50 FFEA CN(C)CCCn1ccnc1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 95382128 NRYPKDQDHRJZGW-UHFFFAOYSA-N 365.481 2.726 30 50 FFEA COCCCN1CC2(CCC1=O)CCN(c1nc(C)ccc1C#N)CC2 91708076 IPQUCZYVPMAIFI-UHFFFAOYSA-N 356.470 2.507 30 50 FFEA COc1ccc(C#N)cc1CN1CC[C@@H](Oc2ccnc(CN(C)C)c2)C1 886050388 DLTQQDSDFONVSR-HXUWFJFHSA-N 366.465 2.677 30 50 FFEA COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C)cc1OC 15951933 LUHTVXGEIAPNSC-QGZVFWFLSA-N 353.374 2.912 30 50 FFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1coc2ccccc2c1=O 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CC(C)[C@@H]1CN(C(=O)C2(C#N)CC2)CCC(=O)N1Cc1ccc(F)cc1 71752536 RZICXHMCYFDSIY-KRWDZBQOSA-N 357.429 2.715 30 50 FFEA N#CC1CCN(Cc2ccccc2OC[C@@H](O)CN2CCCCC2)CC1 95504459 KGOGFPUWZRTGDI-FQEVSTJZSA-N 357.498 2.648 30 50 FFEA N#Cc1ccccc1NC(=O)c1ncn(-c2ccc(OC(F)F)cc2)n1 261490517 BQOJZJGSDZFKHY-UHFFFAOYSA-N 355.304 2.993 30 50 FFEA O=[N+]([O-])c1cc2c(cc1/C=N/Nc1nncc(-c3ccccc3)n1)OCO2 5014601 XMXWRPVYWOYPCZ-QGMBQPNBSA-N 364.321 2.622 30 50 FFEA CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@@H]2c1ccc(Cl)cc1 4201639 AZEKVQYZYVLLHG-CYBMUJFWSA-N 371.824 2.917 30 50 FFEA N#Cc1ccc(N2CCC(C(=O)N3CCC[C@H]4COC[C@H]43)CC2)c(F)c1 375873027 MJJDISHRRCDUAB-QFBILLFUSA-N 357.429 2.551 30 50 FFEA CN(Cc1ccc2nsnc2c1)C(=O)c1ccc(C#CC(C)(C)O)o1 1506397357 UQBJMLJFGNTOEO-UHFFFAOYSA-N 355.419 2.679 30 50 FFEA COc1cc(N=C(NS(=O)(=O)c2ccccc2)c2ccccc2)ncn1 13755420 MZSJWXZUCNGFOQ-UHFFFAOYSA-N 368.418 2.542 30 50 FFEA C[C@H](/N=C(/O)c1c[nH]nc1[C@@H]1CCOC1)c1ncc(Br)cn1 329105386 HCBTWRNKIOXFJI-DTWKUNHWSA-N 366.219 2.532 30 50 FFEA N#Cc1cnn2c(=O)nc(SCc3ccc(F)c(C(F)(F)F)c3)[nH]c12 2325863523 MKOCMUPKJGXYIN-UHFFFAOYSA-N 369.303 2.739 30 50 FFEA N#Cc1nc(-c2cccs2)oc1N1CCN(C(=O)c2ccco2)CC1 6670451 XEKGBGAOPWIYBC-UHFFFAOYSA-N 354.391 2.830 30 50 FFEA C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)Cn1cnc(C#N)n1 332135846 IBIAPWHWNSBNNO-VIFPVBQESA-N 350.209 2.602 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N[C@H](Cn2cccn2)c2ccccc2)o1 828166496 PYGZYYYWLFQXEV-GOSISDBHSA-N 363.417 2.770 30 50 FFEA N#CC1(c2ccccc2)CCN(C(=O)c2nc(N)nc3c2CCCC3)CC1 952978218 POVODRHFAIQJHM-UHFFFAOYSA-N 361.449 2.635 30 50 FFEA N#Cc1ccc(N2CCN(C(=O)Nc3nc(C4CC4)cs3)CC2)nc1 194326575 ZBBAAXNTMVJUDM-UHFFFAOYSA-N 354.439 2.641 30 50 FFEA O/C(=N/CCC1=CCCC1)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328620639 HESGJSYPSPJUSW-SFHVURJKSA-N 371.485 2.865 30 50 FFEA COc1cccc(-c2nn(CCC#N)cc2C(=O)n2nnc3ccccc32)c1 3372263 LJSHSUZAJYTPTO-UHFFFAOYSA-N 372.388 2.906 30 50 FFEA N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCOc3ccccc3C2)CC1 95499328 SZIOCDOUJBEYPX-SFHVURJKSA-N 361.445 2.848 30 50 FFEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccc1F 19582286 QDAYNYPMWGNROQ-KRWDZBQOSA-N 372.396 2.949 30 50 FFEA COc1ccc(OC)c(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)c1 67692032 IIJMJFXYHGXUDK-MEDUHNTESA-N 350.422 2.911 30 50 FFEA Cc1cc(=N/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)cc[nH]1 328616466 BSVGGYSOFIPNNG-LLVKDONJSA-N 353.348 2.616 30 50 FFEA O=S(=O)(/N=C(\O)OC[C@H]1CCCN2CCCC[C@@H]12)Oc1ccccc1 17320970 VHCVKDWHJIEYJP-ZBFHGGJFSA-N 368.455 2.505 30 50 FFEA N#Cc1cccc(N2CCN(C(=O)[C@H]3CCc4ccccc4C3)CC2=O)c1 82099109 VZKALJOYMSCVSF-IBGZPJMESA-N 359.429 2.539 30 50 FFEA CCn1nc2c(c1C(=O)NCc1ccc(C#N)cc1F)C[C@H](C)O[C@@H]2C 1875314201 MHWBVPCHVBFWON-NWDGAFQWSA-N 356.401 2.866 30 50 FFEA CC(C)(O)C#Cc1ccc(CN2CC[C@H](N3CCCCCC3)[C@@H](O)C2)cc1 1565526833 GHFMSYVQLVGHPD-VXKWHMMOSA-N 370.537 2.620 30 50 FFEA O=C(CC1=C(c2ccccc2)CCC1=O)NCCc1nc(C(=O)O)cs1 1506404833 ALPCIPGLGHOUAD-UHFFFAOYSA-N 370.430 2.707 30 50 FFEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(c2nccnc2OC)C1 1875243193 VOIMTSAARBYONR-OAHLLOKOSA-N 354.410 2.661 30 50 FFEA O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1cccs1)c1ccco1 8743139 DTPDDQVDXNRODJ-CYBMUJFWSA-N 353.359 2.914 30 50 FFEA CCCCN(CC#Cc1ccccc1)C(=O)CSc1nnc(N)s1 55167984 RBCUAAUBGOUUPW-UHFFFAOYSA-N 360.508 2.893 30 50 FFEA Cn1cc(CN[C@@H]2CCN(c3ccccn3)C2)c(-c2ccc(C#N)cc2)n1 180341708 KHZSUTNWMBCUIF-LJQANCHMSA-N 358.449 2.722 30 50 FFEA COc1ccc(-c2nnc(S)n2/N=C/c2ccccc2C(=O)O)cc1 2223313 GGLFBCDYAQKQSA-VCHYOVAHSA-N 354.391 2.823 30 50 FFEA C=CCN1C(=O)/C(=C/c2c(NCC)nc3ccccn3c2=O)SC1=S 12946521 PAIRTNWQYRYYHL-BENRWUELSA-N 372.475 2.514 30 50 FFEA C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@]12C(=O)N(C)c1ccccc12 2887172 LITFXDJTTNGNEN-QFIPXVFZSA-N 372.380 2.655 30 50 FFEA C=CCNC(=O)CSc1nnc(-c2nn(CC)cc2Cl)n1C1CC1 2792121 WAXKPCRILYOUMB-UHFFFAOYSA-N 366.878 2.544 30 50 FFEA CN(Cc1nccs1)[C@@H]1CC12CCN(/C(O)=N/C[C@@H]1CCCO1)CC2 328646677 SUJMOGYQYBAQOE-LSDHHAIUSA-N 364.515 2.522 30 50 FFEA COc1cc(CN[C@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)ccc1C#N 886060582 NNOYUFHDSWAGKQ-HOCLYGCPSA-N 355.360 2.598 30 50 FFEA O=C1C=C[C@@H](Nc2ccc([N+](=O)[O-])cc2)[C@@H]1Nc1ccc([N+](=O)[O-])cc1 5014558 NTRZVTZLASRAHE-WBVHZDCISA-N 354.322 2.903 30 50 FFEA Cc1ccc[n+](CC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 1882117 SFVCFBPJNRJFDX-UHFFFAOYSA-N 357.389 2.966 30 50 FFEA C[C@H]1CN(c2cc(N3C[C@@H](C)O[C@H](C)C3)c(C#N)cc2[N+](=O)[O-])C[C@H](C)O1 252549626 RLHRZRZIDKWMDT-KBXIAJHMSA-N 374.441 2.694 30 50 FFEA CC(C)(C#N)c1ccccc1Cn1cnc2c(nnn2-c2ccccc2)c1=O 157521538 YHYYUJWWEUIMJH-UHFFFAOYSA-N 370.416 2.827 30 50 FFEA CC(C)[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1NC(=O)C1CCOCC1 92002126 FXSHTXUTIPZVSP-UXHICEINSA-N 355.482 2.557 30 50 FFEA C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 783750 LUDKVNURLAFVAX-NRFANRHFSA-N 367.401 2.697 30 50 FFEA CCN1CCO[C@@H](CNC(=O)c2cc(C#N)oc2C)[C@@H]1c1ccccc1 284816757 LJVRQLMJTGMWNI-OALUTQOASA-N 353.422 2.652 30 50 FFEA CC(C)c1ccc(OCC(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)cc1 4819748 AQHGLCRDMZZSLU-UHFFFAOYSA-N 357.366 2.961 30 50 FFEA O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccnc1)c1ccco1 4333127 KFPITHDNEVQILL-QGZVFWFLSA-N 361.357 2.848 30 50 FFEA C#CCCC1(CCC(=O)Nc2nccc3cc(C(=O)OC)cnc23)N=N1 2325894881 VXLHGBKGCDQBDI-UHFFFAOYSA-N 351.366 2.711 30 50 FFEA Cc1ccc(C[C@H](C#N)Sc2nnnn2-c2ccc3c(c2)OCO3)cc1 116613580 DUYGPDKOZLVFEN-OAHLLOKOSA-N 365.418 2.926 30 50 FFEA N#Cc1ccc(N2CCC[C@]3(CCC(=O)N(Cc4ccncc4)C3)C2)nc1 72476545 NIFMMEGAVLAYJH-NRFANRHFSA-N 361.449 2.757 30 50 FFEA COCCCN1C[C@]2(CCCN(c3nc(C)cc(C)c3C#N)C2)CCC1=O 72474340 PRQKTVGRIOYXJC-NRFANRHFSA-N 370.497 2.816 30 50 FFEA CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)c(C#N)c2)C12CCC2 153722304 YHTDBINCCWUNMK-HOTGVXAUSA-N 352.431 2.666 30 50 FFEA Cc1nc(N2C[C@H]3[C@@H](NC(=O)[C@H]4CC4(C)C)C[C@H]3C2)c(Cl)cc1C#N 1875406011 USAKSKVBAWELLK-NHIYQJMISA-N 358.873 2.902 30 50 FFEA COc1ccc(-c2csc(C3=C(N)N(C[C@H]4CCCO4)CC3=O)n2)cc1 13551785 KUKJWIXVGJGVIO-CQSZACIVSA-N 371.462 2.510 30 50 FFEA N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(F)cc2)CC1 6697304 DETPTDPHRYZCPK-UHFFFAOYSA-N 366.352 2.908 30 50 FFEA N/C(=N\OC(=O)c1cccs1)c1ccc(I)cc1 4806368 WOLCPRJDHGGIML-UHFFFAOYSA-N 372.187 2.830 30 50 FFEA C=CCN1C[C@H](C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2C)CCC1=O 55098842 KFMBXDVPIXEZFD-OAHLLOKOSA-N 371.481 2.886 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)N(C/C=C/c2ccccc2)CCO)c1 55242260 ZWOAZFUJQUMSLT-YRNVUSSQSA-N 363.457 2.957 30 50 FFEA CN1C(=O)CC[C@@H](C(=O)NCc2cc(C#N)ccc2F)[C@H]1c1ccccc1 174425071 OHIUWJLAFDWSIB-YLJYHZDGSA-N 365.408 2.923 30 50 FFEA Cc1cc(C)cc(N(CCC#N)C(=O)CN2C(=O)N[C@@H](C(C)(C)C)C2=O)c1 241774158 RNNFWPILEMJBET-QGZVFWFLSA-N 370.453 2.517 30 50 FFEA CC1(C)CC(=O)C=C(NCCN2CCN(C(=O)Nc3ccccc3)CC2)C1 95482942 WEQYSHSBPPNCDV-UHFFFAOYSA-N 370.497 2.699 30 50 FFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCCO2 19902697 SIBKLPBEHLWMKS-LJQANCHMSA-N 369.417 2.989 30 50 FFEA Cc1cc(Cl)ccc1OCC(=O)O/N=C(\N)c1cccc([N+](=O)[O-])c1 4600460 VFOZUPVAIJRZFN-UHFFFAOYSA-N 363.757 2.799 30 50 FFEA Cc1nn(C)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1[N+](=O)[O-] 2782527 BPPCPJTYTXGHJO-MRVPVSSYSA-N 359.411 2.947 30 50 FFEA Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@@H](C#N)C(=O)N1CCCC1 124624979 VMVGQKASKCOKDV-GFCCVEGCSA-N 361.467 2.986 30 50 FFEA CC(=O)N1CCc2nc(N)c(C#N)c(-c3ccc(OC(F)F)cc3)c2C1 72121708 YEOKHKSTXPSPAE-UHFFFAOYSA-N 358.348 2.708 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1cnn(CCC)c1C)CC2 91434530 VXRRIPYYARRKJN-UHFFFAOYSA-N 358.486 2.632 30 50 FFEA C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 424845434 IIKVAYOTBQYPDR-CYBMUJFWSA-N 356.513 2.620 30 50 FFEA C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC2CCCC2)CC1 252508538 XOTIMZKBXWRFIE-UHFFFAOYSA-N 373.501 2.628 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H](Cc2coc3ccccc23)C(=O)OC)N=N1 2325892795 DYQDUBMTSLQNON-INIZCTEOSA-N 367.405 2.989 30 50 FFEA C#CCCC1(CCC(=O)NCC(F)(F)Oc2ccc(C(=O)O)cc2)N=N1 2325900902 NFRBWZVAHYMERA-UHFFFAOYSA-N 365.336 2.828 30 50 FFEA C=CCNC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O 2469733 UCZRDEHMXITSRE-UHFFFAOYSA-N 356.809 2.926 30 50 FFEA Cc1cc(O)nc(N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)n1 100147163 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Cc1ccc(S(=O)(=O)O[C@H]2[C@@H](C)C[C@H]3[C@@H]2CCC32OCCO2)cc1 71786151 JFLAOVOCSDIJQI-HJWJTTGWSA-N 352.452 2.878 30 50 FFEA C=C1C(=O)O[C@@H]2C[C@H](C)[C@@]3(OC)CC[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3 238763353 SOLCYTMIFQPNDN-QXZAJCAHSA-N 366.454 2.994 30 50 FFEA endogenous Cc1nc(N2CCC([C@@H](O)c3cccs3)CC2)c(C#N)cc1C(=O)O 1529173715 PKICWRPIOMMIOC-MRXNPFEDSA-N 357.435 2.971 30 50 FFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCCO2 19902699 SIBKLPBEHLWMKS-IBGZPJMESA-N 369.417 2.989 30 50 FFEA Cc1cc(C#N)cc(C)c1C(=O)N[C@H]1C[C@H](Cn2cc(Cl)cn2)C[C@@H]1O 1857531199 KGQSKEWVHUOFKS-XIRDDKMYSA-N 372.856 2.595 30 50 FFEA Cc1cc(N2CCC[C@H](/N=C(/O)c3ccc(NC(C)C)nc3)C2)n(C)n1 330208313 AYWOOBPMSHGXHF-INIZCTEOSA-N 356.474 2.917 30 50 FFEA C#CCCC1(CCC(=O)N[C@H](CCOCc2ccccc2)C(=O)O)N=N1 2325900856 LXJABRVOKLPPDN-MRXNPFEDSA-N 357.410 2.518 30 50 FFEA CCn1c(CN2CCN(c3ccccc3C#N)C(=O)C2)nc2ccccc21 82121509 OGMBTZSKCJXOJC-UHFFFAOYSA-N 359.433 2.777 30 50 FFEA C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H]1C(O)=Nc1nccs1 329389290 QXKVYYGEAGTNAL-IHRRRGAJSA-N 367.471 2.696 30 50 FFEA C[C@@H]1CN(c2ccc(C#N)cc2)C(=O)CN1C(=O)Cc1cccc(F)c1 82109256 ILLROHGOLGQTEF-CQSZACIVSA-N 351.381 2.504 30 50 FFEA N#Cc1ccc(N2CC[C@H](N3CCO[C@@H](c4ccc(F)cc4)C3)C2=O)cc1 229557767 YLOSCGVJNURRFI-VQTJNVASSA-N 365.408 2.876 30 50 FFEA Cc1occc1CN(C)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 364366091 YNYSSIRJYOAMPZ-GOSISDBHSA-N 351.406 2.609 30 50 FFEA CN(Cc1ncccn1)[C@H]1CCN(/C(O)=N/C2C3CC4CC(C3)CC2C4)C1 330062579 PINSSZRBPVPPSY-RJFAQORQSA-N 369.513 2.721 30 50 FFEA COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(O)c(OC)c2)c1 1220693 LJXFQXKMJYMNPL-GOSISDBHSA-N 369.373 2.898 30 50 FFEA COc1ccc(-c2cc(Cn3ccc4nc(O)c(C#N)cc4c3=O)on2)cc1 67473279 ZCEXKPPHHRFSQD-UHFFFAOYSA-N 374.356 2.686 30 50 FFEA Cc1nc(N)sc1-c1cc(-c2cc(C#CCO)cs2)c(C#N)c(N)n1 71738899 ZPKUCURJPLSNBB-UHFFFAOYSA-N 367.459 2.622 30 50 FFEA CCN(C(C)=O)c1nc(CN2CCC(C#N)(c3ccccn3)CC2)cs1 374330172 WLBYWNXIAMLHCF-UHFFFAOYSA-N 369.494 2.968 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1csc(C(C)=O)c1)CC2 91894045 ODVJGLDOJUMMCD-UHFFFAOYSA-N 360.479 2.982 30 50 FFEA N#Cc1cc(I)c(Br)c(C(=O)O)c1 263625029 WCOZYECPGADRME-UHFFFAOYSA-N 351.925 2.624 30 50 FFEA COc1cc2c(cc1O)NC(=O)C[C@@H]2c1ccc(C#CC(C)(C)O)cc1 65407144 DNONVEHHLSIKIR-OAHLLOKOSA-N 351.402 2.997 30 50 FFEA Cc1cccc(S(=O)(=O)NC2(c3cccc(F)c3)CCOCC2)c1C#N 123376505 JBOHDOZVGLCXKG-UHFFFAOYSA-N 374.437 2.990 30 50 FFEA N#Cc1ccccc1Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O 263616812 KRLAHHJDINCJKS-UHFFFAOYSA-N 356.385 2.575 30 50 FFEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1Br 170017071 ITTXDDLUFHXVEA-UHFFFAOYSA-N 359.000 2.674 30 50 FFEA C[C@]1(O)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1O 96137385 WYRMBKUQFMGZPG-SFTDATJTSA-N 350.462 2.704 30 50 FFEA CCn1ccc(CN(C)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)n1 1875311978 DWGJQBMYYWVDCA-UHFFFAOYSA-N 369.444 2.789 30 50 FFEA COc1nccc(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)c1C#N 1565514088 JKDQKCFIMWKJLM-SJORKVTESA-N 362.433 2.589 30 50 FFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OC)c1 19638261 IILGGSYVQNWMLJ-GOSISDBHSA-N 357.406 2.932 30 50 FFEA C#CCCC1(CCC(=O)N2CC[C@H](n3c(=O)oc4ccccc43)C2)N=N1 2325887195 XONQIANUDVOQGD-AWEZNQCLSA-N 352.394 2.724 30 50 FFEA N#Cc1ccc(CN2CCN(CCCC3(C#N)CCOCC3)CC2)cc1 281916872 GXPYAVPDBVGSFM-UHFFFAOYSA-N 352.482 2.776 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CC2)o1 952978032 OYXLECFFONGNIA-UHFFFAOYSA-N 367.401 2.936 30 50 FFEA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2sccc2C#N)C1 190522549 XOZNCIGMNJUWMS-CYBMUJFWSA-N 360.508 2.979 30 50 FFEA C#CCCC1(CCC(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)N=N1 2325892539 RCEGZYOFRRHCCN-YLJYHZDGSA-N 369.465 2.911 30 50 FFEA N#Cc1ccccc1CN1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356167039 RRCAFSNHRVOQDO-KCZVDYSFSA-N 367.493 2.819 30 50 FFEA CC(C)c1nnc([C@H]2COCCN2C(O)=Nc2ccc(Cl)cn2)o1 328633014 SFWLVUQHMLCXID-LLVKDONJSA-N 351.794 2.860 30 50 FFEA Cn1cc(N=C(O)N2CCC(c3nnc4n3CCCC4)CC2)c(C2CC2)n1 329846897 YKKNYFFQBCUXLH-UHFFFAOYSA-N 369.473 2.650 30 50 FFEA C=CCNC(=O)CCN1C[C@H]2C[C@H](c3ccccc3)CC[C@@]2(C(=O)O)C1 1565507026 UVNGZWRSFAHOIL-DBXWQHBBSA-N 356.466 2.649 30 50 FFEA COc1cc(/C=N/n2c(S)nnc2-c2ccncc2)cc(OC)c1OC 1244747 JLKWRGBFVHYGLS-VXLYETTFSA-N 371.422 2.537 30 50 FFEA C=CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 5165762 KPQWXSDGUAMYAG-GHRIWEEISA-N 351.362 2.668 30 50 FFEA O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc(N3CCCCC3)o1)[C@H]1C=C[C@H]2C12CC2 169689193 WIMVPYBEPMZMEC-KYTYISMSSA-N 365.433 2.801 30 50 FFEA C#CCCC1(CCNC(=O)[C@@H](N)Cc2cccc(C(F)(F)F)c2F)N=N1 2325901067 SGLXSLVBGAVLLW-ZDUSSCGKSA-N 370.350 2.796 30 50 FFEA CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(/C(O)=N/[C@H]2C=CCCC2)CC1 328625397 DDKLQHKNRFJTIP-DOTOQJQBSA-N 369.531 2.678 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)o1 670460955 ZRPAHEQCLHOLNG-OAHLLOKOSA-N 372.490 2.858 30 50 FFEA O=C(O)C[C@H]1S/C(=N/N=C/c2ccccc2)N(c2ccc(O)cc2)C1=O 5101630 ZFXSHIOAVVLRMG-IEVZGDPOSA-N 369.402 2.705 30 50 FFEA C=CCC(O)(CC=C)[C@H](C)NC(=O)c1cn(CCCc2ccccc2)nn1 11715393 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301390582 AJUCSBSEDBMNCP-IRXDYDNUSA-N 374.441 2.697 30 50 FFEA C=CCS(=O)(=O)N1CCC[C@@](Cc2ccccc2C)(C(=O)OCC)C1 14969891 KQIHGGRKLKDAPI-IBGZPJMESA-N 365.495 2.699 30 50 FFEA C[C@@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)Cc1ccc(F)cc1C#N 331827004 NFXPXTLUQQLFEY-KUHUBIRLSA-N 374.437 2.989 30 50 FFEA C#CCCC1(CCC(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)N=N1 2325892526 QKNZXMOCUIYXBD-UHFFFAOYSA-N 368.437 2.925 30 50 FFEA CC(C)c1noc([C@@H]2CCCN2C(=O)c2ccc(C#CC(C)(C)O)o2)n1 65497176 VYTURNPMYRECBV-AWEZNQCLSA-N 357.410 2.886 30 50 FFEA CC(C)(/C(O)=N/Cc1cc(F)cc2c1OCOC2)S(=O)(=O)C1CC1 328823675 RGAXDLWAGSQQTF-UHFFFAOYSA-N 357.403 2.505 30 50 FFEA C=CCN(CC)C(=O)[C@H]1CC[C@H](n2cc(C[C@@H](CC)C(=O)O)nn2)CC1 1875357005 XRUJUAPCLVHXGM-BFYDXBDKSA-N 362.474 2.697 30 50 FFEA COc1ccc(/C=N\N2CCN(c3ccccc3)CC2)c(OC)c1OC 16916179 HPJFQNXSRRYCCU-QNGOZBTKSA-N 355.438 2.869 30 50 FFEA C#CCCC1(CCNC(=O)[C@H](Cc2ccccc2)N2CCCOC2=O)N=N1 2325891118 RKIMOQQRFOZXPX-KRWDZBQOSA-N 368.437 2.522 30 50 FFEA CC1(C)OB(c2[nH]c3ccccc3c2B2OC(C)(C)C(C)(C)O2)OC1(C)C 170008870 UUUUNJHEYZLWGT-UHFFFAOYSA-N 369.079 2.766 30 50 FFEA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(Cc2ccc(C#N)s2)CC1 328631206 KGEKTCZNSIBEFI-QGZVFWFLSA-N 369.494 2.813 30 50 FFEA N#Cc1c(NC(=O)COCC(=O)O)sc2c1CC[C@@H](c1ccccc1)C2 17075868 YIIZKVZOIMEOKS-CYBMUJFWSA-N 370.430 2.932 30 50 FFEA N#Cc1cc(Br)c(C(=O)O)cc1I 263622766 ASZJHHPDYOUPKN-UHFFFAOYSA-N 351.925 2.624 30 50 FFEA CNc1cc(-n2nc(C)cc2NC(=O)[C@]2(C#N)CC3CCC2CC3)ncn1 1875352706 AVORTEMGTKZDEJ-MHVYXZCWSA-N 365.441 2.671 30 50 FFEA C=CCS(=O)(=O)N[C@@H](C)c1cnc(N(C)C2CCCCC2)nc1C 12196367 HPDCCSKWDFUEAM-AWEZNQCLSA-N 352.504 2.720 30 50 FFEA CCOc1cc(/C=N/n2c(C)nnc(-c3ccccc3)c2=O)ccc1O 2581677 JBWHAVALEPVDDF-UDWIEESQSA-N 350.378 2.600 30 50 FFEA O/C(=N/Cc1ccsc1)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328616791 CASGVGYKLAIVAV-INIZCTEOSA-N 373.482 2.626 30 50 FFEA C#CCCC1(CCC(=O)N(CCO)[C@@H](C)c2ccc3c(c2)OCCO3)N=N1 2325894443 SEVOIPOKJYWDSU-HNNXBMFYSA-N 371.437 2.695 30 50 FFEA N#Cc1c(F)cccc1-n1ccc(NC(=O)NCC[C@H](O)C2CCCC2)n1 1476401355 LIFIWJSFQKSAOS-KRWDZBQOSA-N 371.416 2.946 30 50 FFEA Cc1c(CN[C@@H](c2nc(C(C)C)no2)C2CCOCC2)cc(C#N)n1C 328642241 YITCFKYCUYXMKJ-QGZVFWFLSA-N 357.458 2.969 30 50 FFEA COc1nccc(N=C(O)N2CCCN(Cc3ccccc3)C[C@@H]2C)n1 328759818 XATLMGSLKKMFQH-HNNXBMFYSA-N 355.442 2.627 30 50 FFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 331739603 WRECTRQLUFDJQP-UWVAXJGDSA-N 356.466 2.754 30 50 FFEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 331739607 WRECTRQLUFDJQP-ZWOKBUDYSA-N 356.466 2.754 30 50 FFEA N#Cc1ccc(C(=O)N2CCC[C@H](c3nccn3Cc3ccccn3)C2)cn1 95497053 ABOVKILODKFJEH-KRWDZBQOSA-N 372.432 2.613 30 50 FFEA COc1nccc(N2CCC(c3nccn3Cc3cccnc3)CC2)c1C#N 95530285 ZDBSTHSCAPONBB-UHFFFAOYSA-N 374.448 2.986 30 50 FFEA N/C(Cc1ccc([N+](=O)[O-])cc1)=N/OC(=O)c1ccc(Br)o1 18173069 SAXZKQRHHUFFFW-UHFFFAOYSA-N 368.143 2.622 30 50 FFEA C#CCOc1c(I)cc(/C=C/[N+](=O)[O-])cc1OC 2820380 RMZAHIRBEHAFIT-SNAWJCMRSA-N 359.119 2.559 30 50 FFEA C=CCNc1ncnc2c1CCN(C(=O)c1ccccc1OCC)CC2 72417767 SKZZRQBSPHPSDD-UHFFFAOYSA-N 352.438 2.714 30 50 FFEA C=CC[C@]1(CO)CCCN(C(=O)C2(c3ccccc3)CCN(C)CC2)C1 91876854 WVVHYNFAULRUGG-NRFANRHFSA-N 356.510 2.827 30 50 FFEA Cc1c(C#N)c2ccccc2n1CC(=O)N[C@H]1CCOC2(CCOCC2)C1 77541743 MXBVNUXMGAKSAU-INIZCTEOSA-N 367.449 2.666 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(Cc1cc3ccccc3[nH]c1=O)CC2 91575065 JECUOHPUTUFXNW-UHFFFAOYSA-N 365.477 2.919 30 50 FFEA C=CCN1CC[C@@H](CNC(=O)N2CCC(Oc3ccccc3OC)CC2)C1 584900816 MNDGPEINSDTINB-KRWDZBQOSA-N 373.497 2.756 30 50 FFEA CN1C(=C2C(=N)N(NC(=O)c3ccccc3)CC2=O)Sc2ccccc21 1875390884 PPZVHAHOOPWOAR-UHFFFAOYSA-N 364.430 2.647 30 50 FFEA C#CCCC1(CCC(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)N=N1 952881093 KHNAXDOEITVHAA-LJQANCHMSA-N 368.481 2.840 30 50 FFEA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)C1(C#N)CCCC1 275541962 SOIRPRUHWXDCFF-GJZGRUSLSA-N 364.490 2.906 30 50 FFEA COc1cc(OC)c(/C=N/N2CCN(Cc3ccccc3)CC2)c(OC)c1 19850227 HLTXFVAPQCNSLR-PXLXIMEGSA-N 369.465 2.864 30 50 FFEA C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 8554456 DAGBTZVSEFCLDC-UHFFFAOYSA-N 357.435 2.697 30 50 FFEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(C)[nH]c(=O)c1 55281105 VVSHAGHGXDIWPZ-UHFFFAOYSA-N 350.378 2.562 30 50 FFEA N#CCCn1c(=O)c(C(=O)NCc2cccs2)c(O)c2ccccc21 170624772 XUVPXOARYOHQPX-UHFFFAOYSA-N 353.403 2.612 30 50 FFEA Oc1ccc(Br)c(/C=N/n2c(S)nnc2C(F)(F)F)c1 2789478 OOKDCMWGQIXJLD-SYZQJQIISA-N 367.150 2.936 30 50 FFEA CN(C)Cc1nnc(C2CCN(Cc3ccccc3C#N)CC2)n1C1CC1 82137073 VWQULQWZIXWAPP-UHFFFAOYSA-N 364.497 2.926 30 50 FFEA C#CCN(C(=O)C1CCN(C(=O)C=C)CC1)[C@@H]1CCCc2ccccc21 1875367016 KUOQJDVBOSGELI-HXUWFJFHSA-N 350.462 2.950 30 50 FFEA N#C[C@@]1(NC(=O)CN2C(=O)CCc3ccccc32)CCc2ccccc2C1 274458948 JCSZIKALSDVLCU-JOCHJYFZSA-N 359.429 2.533 30 50 FFEA C=C[C@H]1OCC[C@@H]1C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 1857532953 CULMVNOGHSMVMH-OKZBNKHCSA-N 356.466 2.682 30 50 FFEA C=CCN1CCC[C@]2(CO)CCN(C(=O)c3ccc(OCCC)cc3)C[C@@H]12 1704312702 JAQMFOVRXZUCRR-IFMALSPDSA-N 372.509 2.950 30 50 FFEA Cc1nc(C#N)c(NCCC(=O)N2CCC[C@@H](c3ccncc3)CC2)o1 2325805561 RXVNLBSOMYSFCX-OAHLLOKOSA-N 353.426 2.848 30 50 FFEA N=C(O)c1cnn2c1C[C@H](C/N=C(/O)[C@H]1CCCc3cccnc31)CC2 328862337 AVHSRVCPASITEF-OCCSQVGLSA-N 353.426 2.800 30 50 FFEA Cn1cc(-c2ccccc2C/N=C(/O)C2(N3CCOCC3)CCC2)cn1 329344392 UHGWVZQTUUVJKH-UHFFFAOYSA-N 354.454 2.799 30 50 FFEA C=CCC(=O)N1CCc2c(cnc(C)c2-c2noc(-c3c[nH]c(C)n3)n2)C1 19792730 AVTWNZKZFCLUMH-UHFFFAOYSA-N 364.409 2.599 30 50 FFEA CN1C(=O)N(C)C(=O)C(CCc2ccncc2)(C2(C#N)CCCCC2)C1=O 4819291 JPULRIZUIHDEHJ-UHFFFAOYSA-N 368.437 2.525 30 50 FFEA COc1ncc(-c2c(C#N)c(N)nc3c2CN(c2ccc(C)cc2)CC3)cn1 72168501 TWZDVTBLDHWDTL-UHFFFAOYSA-N 372.432 2.872 30 50 FFEA N#CC1CCN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)CC1 91351096 LFHQBYVMVGVXBT-UHFFFAOYSA-N 366.465 2.613 30 50 FFEA CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O 36000018 QUKYYTVCXJBCJA-NSHDSACASA-N 374.393 2.946 30 50 FFEA Cc1nc(C(=O)N2CCCN(c3nc(C)c(C)cc3C#N)CC2)cs1 1772818574 VBVMMMPDBAOQPD-UHFFFAOYSA-N 355.467 2.688 30 50 FFEA C=CCn1c(CN(C)Cc2cn(C)nc2C)nnc1SCC(=C)Cl 12456781 CMJUGEWOEWFMLS-UHFFFAOYSA-N 366.922 2.983 30 50 FFEA CC1(C)OB(c2cc(OCCN3CCCCC3)c(C#N)cc2F)OC1(C)C 170008730 QBZYTKILGPUUKJ-UHFFFAOYSA-N 374.265 2.861 30 50 FFEA COc1ccc(Br)cc1[C@@H]1NC(=S)NC(C)=C1C(C)=O 6857141 UIFFLWCOZLBMQQ-ZDUSSCGKSA-N 355.257 2.840 30 50 FFEA COC(=O)[C@@H](/C=N/OCc1ccc(Cl)cc1)NC(=O)c1ccccc1 5209663 TWKSEHXIEQAQOH-MBTVCVBTSA-N 360.797 2.814 30 50 FFEA Cc1cccc(CN2CCN(C(=O)Nc3ccc(C#N)nc3)[C@H](C)C2=O)c1 299785324 XYNHRDNHUAIRHV-OAHLLOKOSA-N 363.421 2.527 30 50 FFEA C#CCCC1(CCC(=O)N2CCn3c(Cc4ccccc4)nnc3C2)N=N1 952883282 YJRVPQMREPUEMY-UHFFFAOYSA-N 362.437 2.567 30 50 FFEA CC/N=C1/S[C@@H](CC(=O)Nc2ccccc2OC(F)F)C(=O)N1CC 13471197 IGEJLUGZBAPFLL-NWLJZCLZSA-N 371.409 2.956 30 50 FFEA CCc1nnc(NC(=O)C(=O)N(CC#Cc2ccccc2)[C@@H](C)CC)s1 65372119 AADVFIOYJORCIV-AWEZNQCLSA-N 370.478 2.718 30 50 FFEA CCc1nnc(NC[C@@H]2CCN(C)[C@H]2c2cccnc2)c(C#N)c1CC 328630089 PNMFIHVXUMUPGY-KXBFYZLASA-N 350.470 2.973 30 50 FFEA Cc1cc(C)n(C[C@@H]2CN(C(O)=Nc3scnc3C3CC3)CCO2)n1 328939993 SFICMEFTWQPDFE-AWEZNQCLSA-N 361.471 2.780 30 50 FFEA COCCN1CCC[C@]2(CCN(c3nc(C(C)C)ccc3C#N)C2)C1=O 91973990 DGIPADRJUSCYDG-HXUWFJFHSA-N 356.470 2.542 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1 19774982 HASZGJKPUNJCLQ-UHFFFAOYSA-N 362.473 2.767 30 50 FFEA COc1ccc([C@H]2C[C@H]2c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)cc1 1857799403 ZVZFTFYXVDYFKS-HZPDHXFCSA-N 366.421 2.528 30 50 FFEA COc1ccc(F)cc1[C@@H](C(=O)O)N1CCN(c2ccc(C#N)cc2)CC1 55310156 CZHZBEVVGPUQKB-IBGZPJMESA-N 369.396 2.654 30 50 FFEA CC(=O)Nc1cccc(C#CCN2CCN(c3ccc(F)cc3)CC2)c1 20405907 SPPWMHTUAIIOOE-UHFFFAOYSA-N 351.425 2.958 30 50 FFEA C[C@H]1C[C@H]2O[C@@H]2/C=C/C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 45789135 WYZWZEOGROVVHK-YWEQZVFCSA-N 364.781 2.692 30 50 FFEA in-vitro C=CCN1CCN(C(=O)[C@H](CC)Oc2ccc(Br)cc2)CC1 20572953 ZFYTXLVTLPAUMO-INIZCTEOSA-N 367.287 2.937 30 50 FFEA N#Cc1ccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(Cl)c1 438819349 MDZAHTQSJNHAJY-LJQANCHMSA-N 367.792 2.941 30 50 FFEA C=CCOC(=O)N1CCn2nc(-c3nc4ccc(OC)cc4[nH]3)cc2C1 67674228 WASWDZSBTHDCQP-UHFFFAOYSA-N 353.382 2.573 30 50 FFEA Cc1ccc(C#N)c(N2CCN(Cc3cccc(-n4cccn4)c3)CC2)n1 65372719 BTZOMAGETXHOKA-UHFFFAOYSA-N 358.449 2.770 30 50 FFEA N#Cc1cncc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 290034892 CDUMCGFXENFETQ-OTWHNJEPSA-N 353.447 2.910 30 50 FFEA N#Cc1cccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)c1 95527252 QFIDCCUUMAUJOW-FUHWJXTLSA-N 352.463 2.638 30 50 FFEA Cc1cccc(OCC(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)c1C 4685106 WUMYJUFLFMXWON-UHFFFAOYSA-N 357.366 2.649 30 50 FFEA C[C@]1(Br)C[C@@H]1C(=O)NC1(c2cccc(C#N)c2)CCOCC1 862206041 CGRPWWFXUNBRDE-ZBFHGGJFSA-N 363.255 2.854 30 50 FFEA C[C@H](/N=C(/O)N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@H]1CCCO1 328635748 VAUUPOSFBUIJLC-RWMBFGLXSA-N 374.407 2.878 30 50 FFEA NS(=O)(=O)c1cc(/C=C2/CCOc3ccc(F)cc3C2=O)ccc1F 253426098 NMHQLMMBYAHACB-XFFZJAGNSA-N 365.357 2.661 30 50 FFEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)CCc2ccc(F)cc2)cc1 1565516871 LLQIDORUFOLGGZ-PMACEKPBSA-N 368.408 2.983 30 50 FFEA C=CCC[C@H](CC)Nc1cccc(S(=O)(=O)N2CCC(O)CC2)c1 188086328 DVFLIMBHHVMGLO-HNNXBMFYSA-N 352.500 2.989 30 50 FFEA N#Cc1nccnc1N1CCC2(CC1)C[C@@H](O)C[C@H](c1ccccc1)O2 1857670282 FOPTXPDEMDUMTE-FUHWJXTLSA-N 350.422 2.600 30 50 FFEA OCC#Cc1csc(CN[C@H]2CCCN(Cc3ccccc3F)C2)c1 20780493 ZNSGUEHLTQHBFJ-SFHVURJKSA-N 358.482 2.985 30 50 FFEA C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)NCC)nc2c1=O 72408784 ZNNGMACMGCNDGC-UHFFFAOYSA-N 356.813 2.752 30 50 FFEA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)c1cc(C#N)cn1C 670447973 WSXVMFIVPSTXJD-UHFFFAOYSA-N 351.385 2.768 30 50 FFEA Cc1ccc2[nH]c3nc(N/N=C4\C(=O)N(C)c5ccccc54)nnc3c2c1 5009633 KMIRUKLTEYIUOU-KQWNVCNZSA-N 357.377 2.607 30 50 FFEA COc1ccc(/C=N\N2CCN(c3ccccc3OC)CC2)c(OC)c1 16915899 CWWBKAXSKQBNJA-QNGOZBTKSA-N 355.438 2.869 30 50 FFEA C[C@]1(/C(O)=N/[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CCC(O)=NC1 328838514 TZPROGJROLZLHB-NLDJYOPPSA-N 355.438 2.857 30 50 FFEA C[C@H](C1CC1)n1cc(N=C(O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)cn1 330214656 LVDVGBATXKQYEC-PZPSRYQVSA-N 370.457 2.785 30 50 FFEA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(Cc2cc(C#N)cs2)CC1 328656193 ZCHJMSREIOCKNE-SFHVURJKSA-N 369.494 2.813 30 50 FFEA CC[C@@H](NS(=O)(=O)c1sc2ccc(C#N)cc2c1C)C1CC(O)C1 220170268 AENKFYLQXGNHMG-SSDMNJCBSA-N 364.492 2.909 30 50 FFEA CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(O)c1 18024807 RAVIQGODACIPJQ-IBGZPJMESA-N 371.433 2.940 30 50 FFEA COCCc1ncc(-c2c(C)c(-c3ccc(O)cc3)nc(N)c2C#N)cn1 71760027 AJIZEVFSCKDOPD-UHFFFAOYSA-N 361.405 2.862 30 50 FFEA Cc1nn(C)cc1[C@H]1OCC[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N 886040563 SCNHGFWQBPVGGV-GXTWGEPZSA-N 351.332 2.956 30 50 FFEA C#CCCC1(CCNC(=O)CCC(=O)c2ccc3c(c2)OCCO3)N=N1 2325891069 OYQJTJLQDVZERN-UHFFFAOYSA-N 355.394 2.503 30 50 FFEA C=CCn1c(SCC(=O)O)nnc1-c1cc(Br)ccc1O 2851561 UROBIWCKDZDTOK-UHFFFAOYSA-N 370.228 2.776 30 50 FFEA C=CCN1CC[C@@]2(CCC1=O)CN(Cc1ccc(F)cc1C)CCN2C 91651570 WYNXWSSIADOVFV-NRFANRHFSA-N 359.489 2.819 30 50 FFEA CCCCCCCCCCCC[S@](=O)[C@@H]1CS(=O)(=O)C[C@H]1O 245312294 SYBGQUOWIDTOOE-ZOCZFRKYSA-N 352.562 2.814 30 50 FFEA C#CCCC1(CCC(=O)N2CCN(c3cc(OC)cc(OC)c3)CC2)N=N1 952880584 GVOVWVYGIREMSD-UHFFFAOYSA-N 370.453 2.708 30 50 FFEA Cn1ncc2c1C[C@@H](C(=O)Nc1cccc(OC(F)(F)F)c1C#N)CC2 411107448 APRQGQLFECOXOL-JTQLQIEISA-N 364.327 2.934 30 50 FFEA C#CCN1CC[C@@H](N2CCC(c3nc4ccccc4[nH]3)CC2)CCC1=O 11912200 LXDGASJDIBSJMZ-KRWDZBQOSA-N 350.466 2.757 30 50 FFEA Cc1ccc(S(=O)(=O)NN=C2CCN(C(=O)OC(C)(C)C)CC2)cc1 35287594 YOQAQRNVUNKUCQ-UHFFFAOYSA-N 367.471 2.660 30 50 FFEA in-vitro CCOC(=O)C1=CNC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1C(=O)OCC 1234011 ZJZZBNOAXKVDHI-RDTXWAMCSA-N 369.417 2.617 30 50 FFEA C=CCn1c(SCC(=O)O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 4801860 XLZHULRHDNURTP-SECBINFHSA-N 350.465 2.946 30 50 FFEA Cn1ncc(/N=C/c2ccc([N+](=O)[O-])cc2)c1C(=O)NCc1ccco1 2798489 ODPUDBQLQHODJR-GIJQJNRQSA-N 353.338 2.602 30 50 FFEA C=CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc2sccn32)cc1 4722091 ZWZKCRWHQQIILF-ZDUSSCGKSA-N 353.403 2.795 30 50 FFEA Cc1sc2ncn(CC(=O)N3CCCC(C)(C)[C@H]3C#N)c(=O)c2c1C 241139413 JQRCSEMNZUVOPF-CYBMUJFWSA-N 358.467 2.616 30 50 FFEA Cn1c(C(=O)O)cc(Br)c1/C=N/Nc1ccncc1Cl 170660118 DCKIWBAEBDEEKH-OMCISZLKSA-N 357.595 2.980 30 50 FFEA C=CCn1c(-c2cccc(Cl)c2)cn2cc(C(=O)NCC)nc2c1=O 72424956 XRRSSFLECFUVMF-UHFFFAOYSA-N 356.813 2.752 30 50 FFEA C=CCN(C)Cc1ccc(OC[C@H](O)CN2CCCCCC2)c(OC)c1 95506519 HMRKERYWQXIOMA-LJQANCHMSA-N 362.514 2.929 30 50 FFEA C=CCc1cc(CN2CCCN(C(=O)c3cnccn3)CC2)ccc1OC 1775982910 ZYMPXARYBKRMSS-UHFFFAOYSA-N 366.465 2.562 30 50 FFEA N#Cc1cccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)c1 247657381 QFIDCCUUMAUJOW-AEFFLSMTSA-N 352.463 2.638 30 50 FFEA C#CCCC1(CCSc2nnc(-c3ccc(OC)cc3OC)n2N)N=N1 2325891522 MMBQZWXIEQHTGZ-UHFFFAOYSA-N 372.454 2.734 30 50 FFEA C#CCCC1(CCC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)N=N1 952879986 IMENAAKDNJYJQF-UHFFFAOYSA-N 356.426 2.665 30 50 FFEA Cc1cc(Cl)ccc1OCC(=O)O/N=C(\N)c1ccc([N+](=O)[O-])cc1 5065401 OLIIJVGMJXLANA-UHFFFAOYSA-N 363.757 2.799 30 50 FFEA CCc1nc(C)c(C(=O)N2CCCN(c3cccc(C#N)n3)CC2)s1 1772807608 PSRLTWJKVPZWTG-UHFFFAOYSA-N 355.467 2.633 30 50 FFEA N#Cc1cccc(CNC(=O)Cn2cc(-c3cccc(Cl)c3)nn2)c1 2325776532 VYZYNPQCKHDUSP-UHFFFAOYSA-N 351.797 2.787 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc(CCN3CCOC3=O)cc2)N=N1 2325892328 JHHMRRRTXBSAFI-UHFFFAOYSA-N 354.410 2.976 30 50 FFEA C=CCNC(=O)c1sc2ncnc(NCCc3ccccn3)c2c1C 11913125 MPZRSYBVRMOKLB-UHFFFAOYSA-N 353.451 2.965 30 50 FFEA O=C1C(O)=C(CC2=C(O)C(=O)[C@@H]3C=CC=C[C@@H]3C2=O)C(=O)c2ccccc21 642075 CSTUXAZAWKGUIT-CMPLNLGQSA-N 362.337 2.590 30 50 FFEA COC(=O)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 25575617 YHQZMOGOYSEJSF-VGOFMYFVSA-N 350.312 2.797 30 50 FFEA OC(=Nc1cnns1)N1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 330256175 KKHUWEGKYONRQB-QWRGUYRKSA-N 358.345 2.910 30 50 FFEA C=CCC[C@@H](CN(C)Cc1cnccn1)Oc1ccnc(OC)c1C#N 72408440 BJSSPFYWEJBPOA-INIZCTEOSA-N 353.426 2.597 30 50 FFEA COc1cc(C#N)ccc1S(=O)(=O)N(C)[C@H](C)Cc1cccc(F)c1 416558841 KALDAOGQFFXSQD-CYBMUJFWSA-N 362.426 2.958 30 50 FFEA N#Cc1ccc(N2CC[C@H](N3CCO[C@]4(CCc5ccccc54)C3)C2=O)cc1 245503845 DGAJWHBPKOQVFX-JTHBVZDNSA-N 373.456 2.837 30 50 FFEA CC1(C)CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1[C@H]1CCCO1 377920509 NKXXNFJVJSOROL-HUUCEWRRSA-N 354.859 2.790 30 50 FFEA C=C(C)COc1ccccc1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O 55281798 KGSHEQOQSZQATH-GOSISDBHSA-N 350.418 2.694 30 50 FFEA N#Cc1cccc(CN2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)c1 67773025 HPLRZFJKEVAGME-UHFFFAOYSA-N 359.433 2.812 30 50 FFEA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1cccc(C#N)c1)C2 252023292 ZSPGVXPMCYOAKM-MOPGFXCFSA-N 364.449 2.786 30 50 FFEA C=C(C)Cn1c(=O)c2c(nc3n(C4CCCCC4)c(C)cn23)n(C)c1=O 8656212 XMFTZFJEISTWSL-UHFFFAOYSA-N 355.442 2.539 30 50 FFEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H](N)Cc1ccccc1 55166441 JMUHACIQPDPYRN-GOSISDBHSA-N 362.433 2.821 30 50 FFEA C=CCn1c(=N)n(C[C@@H](O)COc2ccccc2OC)c2ccccc21 20026791 YBBWHDDKRCZQTE-OAHLLOKOSA-N 353.422 2.557 30 50 FFEA N#Cc1cncc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 290034885 CDUMCGFXENFETQ-GUDVDZBRSA-N 353.447 2.910 30 50 FFEA CC[C@](C)(C#N)C(=O)N1CCC(c2nccc(-c3cncnc3)n2)CC1 952894309 YYTIWLMZDLCJRD-LJQANCHMSA-N 350.426 2.579 30 50 FFEA CN(C(=O)c1cccc(F)c1C#N)[C@H]1CCN(c2ccccc2F)C1=O 188059202 PNERUAIBKMWRKC-KRWDZBQOSA-N 355.344 2.714 30 50 FFEA OCC#Cc1ccc(CN2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)cc1 1857675254 PKJFFLSSGNTXGH-VXNXHJTFSA-N 361.485 2.989 30 50 FFEA OC[C@H](CN1CCCCC1)/N=C(/O)c1cc(Br)ccc1F 330601692 GRBUNYWACKEJFH-LBPRGKRZSA-N 359.239 2.740 30 50 FFEA CCCCc1ccc(S(=O)(=O)N/N=C(/S)NCc2ccco2)cc1 8683735 QEUBSHMEFOUBBO-UHFFFAOYSA-N 367.496 2.891 30 50 FFEA Cc1c(C#N)cccc1C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 1328373626 LBBUCTUEEPYJTH-UHFFFAOYSA-N 369.446 2.655 30 50 FFEA C#CCCC1(CCNC(=O)c2sc(-c3nc[nH]n3)nc2C(C)C)N=N1 1875368615 FUIARXIAAVIRJA-UHFFFAOYSA-N 357.443 2.747 30 50 FFEA C=CCN(Cc1ccc(C)s1)C(=O)CCC(=O)Nc1nncs1 952860292 LFCJLNXERYHPDK-UHFFFAOYSA-N 350.469 2.842 30 50 FFEA Cc1cc(NC(=O)CSc2nc(O)c(C#N)c(-c3ccccc3)n2)no1 17780279 NUBDDNLQWTWUOY-UHFFFAOYSA-N 367.390 2.748 30 50 FFEA Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 845098 SJRFQQUPAQTQFN-SECBINFHSA-N 359.411 2.796 30 50 FFEA C=CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)O 4258995 OMVSULQAJKMMFF-UHFFFAOYSA-N 356.407 2.768 30 50 FFEA N#Cc1c(SCC(=O)Nc2ccccc2)sc2c(O)cc(=O)[nH]c12 4945429 FBTLJEOYJCQHPK-UHFFFAOYSA-N 357.416 2.898 30 50 FFEA Cc1nc(CN(C)[C@@H]2CCCN(c3ncc(C#N)cc3Cl)CC2)no1 328624281 CJWHCDACTRNEFU-CQSZACIVSA-N 360.849 2.789 30 50 FFEA O=C(ON=C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1 1392840 HUZFFOOKEKFSML-UHFFFAOYSA-N 364.448 2.746 30 50 FFEA COc1c(C)cc(C)cc1-c1cc(-c2cc(C(=O)O)[nH]n2)nc(N)c1C#N 71757144 RYNKIUKSVUNIOQ-UHFFFAOYSA-N 363.377 2.916 30 50 FFEA COC(=O)[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1c(C)cccc1C 170598308 CQXFUWWJXXNHFW-SFHVURJKSA-N 372.446 2.509 30 50 FFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 13285525 OEOZFBHSFRWKRK-GOSISDBHSA-N 355.390 2.946 30 50 FFEA N#Cc1cccc(C(=O)N2CCC[C@@]23CCCN(Cc2ccccn2)C3=O)c1 2356138704 FTXRRIWHCGUYRT-JOCHJYFZSA-N 374.444 2.751 30 50 FFEA Cn1nc(CN2CCN(c3ncccc3C#N)CC2)c2c(Cl)cccc21 219188651 YRDCTZPSQCQNKD-UHFFFAOYSA-N 366.856 2.816 30 50 FFEA O=S1(=O)CCC[C@H](/N=C(/O)N2CCCC[C@H]2Cc2ccccc2)C1 329778817 LLEOAKUDWZCWJJ-IRXDYDNUSA-N 350.484 2.575 30 50 FFEA 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(O)ccc2ccccc12 252428621 QQRCACCILUTOLS-JTVZQZNYSA-N 358.397 2.932 30 50 FFEA COC(=O)c1cc(Br)c(C#N)c(I)c1 263623813 KXJOGTZPCUSJRH-UHFFFAOYSA-N 365.952 2.712 30 50 FFEA N#Cc1cncc(N(CCNC(=O)c2cc3occc3s2)C2CC2)n1 1875338589 CYHLXAWTZFGFRU-UHFFFAOYSA-N 353.407 2.555 30 50 FFEA COc1ccc(CC(=O)O/N=C(\N)c2ccc(Br)cc2)cc1 4803343 SWSCHQUNUKADLM-UHFFFAOYSA-N 363.211 2.864 30 50 FFEA NC(=S)N1N=C(c2ccccc2)/C(=N\Nc2cccc(Cl)c2)C1=O 100530537 OORTYFDKSYYTBO-XSFVSMFZSA-N 357.826 2.598 30 50 FFEA COc1cc(C(=O)NCc2ccco2)ccc1B1OC(C)(C)C(C)(C)O1 170004259 VHTLBURHPLMLBV-UHFFFAOYSA-N 357.215 2.517 30 50 FFEA COC(=O)C1(c2ccc(S(=O)(=O)Nc3cc(C)cc(C#N)c3)cc2)CC1 451115698 OXRROQQPGMEREV-UHFFFAOYSA-N 370.430 2.872 30 50 FFEA Cc1ccc([C@@H](C(=O)N2CCN(c3ccccc3C#N)CC2)N(C)C)cc1 95388433 NJJXLDNHTUFVDN-NRFANRHFSA-N 362.477 2.818 30 50 FFEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(c4ccc(C#N)cn4)CC3)n[nH]c21 1875395261 UGDZAFRXDXDXIZ-OLZOCXBDSA-N 365.437 2.718 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)N[C@H](CC(=O)O)c2ccccc2)c1 1506417757 BMXLQTYHCZMPEB-GOSISDBHSA-N 351.402 2.755 30 50 FFEA C=CCCC(=O)N1C[C@@H]2[C@H](CNC(=O)CCC3CCC3)[C@H]3CC[C@]2(C1)O3 1857720754 IUCHDZNMUIQIGX-XKGFGPFHSA-N 360.498 2.655 30 50 FFEA CC(C)[C@@H]1COCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 2325784196 HFEIKUDWHVQVQV-IRXDYDNUSA-N 359.445 2.655 30 50 FFEA C#CCCC1(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)N=N1 2325890991 KOVPTMSWXBRKTQ-OAHLLOKOSA-N 368.437 2.520 30 50 FFEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1ccc(F)cc1)C2 20601618 REYSGYAEADUOIZ-MRXNPFEDSA-N 356.445 2.557 30 50 FFEA N#Cc1ccc(-c2cccc(C(=O)N3C[C@H](CO)[C@@H](CO)C3)c2)cc1Cl 1565529160 AJQDPJNSJWAAIG-QZTJIDSGSA-N 370.836 2.551 30 50 FFEA CC(=O)C1=C(C)N[B-](c2ccccc2)(c2ccccc2)N=C1C(F)(F)F 169793942 AGZIWPRQUYQHCM-UHFFFAOYSA-N 357.164 2.713 30 50 FFEA O=C1CCCC(=O)C1=CNc1ccc(NC=C2C(=O)CCCC2=O)cc1 721584 KBGGLQVELIFSLF-UHFFFAOYSA-N 352.390 2.922 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1220181 KPGXJDKJSNIVMX-UHFFFAOYSA-N 367.357 2.757 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccs1 2835148 HZHNJDXBQBBBNL-MRXNPFEDSA-N 373.430 2.981 30 50 FFEA CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccncc1 3501797 PNJCVZRFMVCCDE-UHFFFAOYSA-N 364.434 2.962 30 50 FFEA Cc1ccc(N=C(O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cn1 328636129 VKFVJASJSBRWIT-MAUKXSAKSA-N 356.474 2.684 30 50 FFEA C=C(Cl)COC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)n1nnc2ccccc21 252430977 WWKVRJPSDCXLQD-YXAMBPQSSA-N 357.797 2.806 30 50 FFEA N#Cc1ccc([C@@H](O)CN2CCC(O)(Cc3cccc(F)c3)CC2)cc1 186919796 PTQUUUQINWHPHJ-FQEVSTJZSA-N 354.425 2.800 30 50 FFEA N#Cc1ccc(N2CC[C@H](N3CCO[C@@]4(CCc5ccccc54)C3)C2=O)cc1 245503843 DGAJWHBPKOQVFX-GMAHTHKFSA-N 373.456 2.837 30 50 FFEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(F)c1 17163284 HHTZHWDAZBEMLB-GOSISDBHSA-N 368.408 2.966 30 50 FFEA C=CCc1cc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1OCC 55037196 OGHXNIQBKOWLLQ-HXUWFJFHSA-N 358.482 2.637 30 50 FFEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1c[nH]c(=O)c(Cl)c1 55369394 DQPINYMLULHESR-UHFFFAOYSA-N 370.796 2.907 30 50 FFEA Cc1c(C(=O)[C@H](C#N)c2ccc(F)cn2)cnn1CCO[C@H]1CCCCO1 131145652 AQPHPVRLHRLJNA-QAPCUYQASA-N 372.400 2.759 30 50 FFEA N/C(=N\OC(=O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 13154184 MZSXGKOSUWHBMT-UHFFFAOYSA-N 364.155 2.835 30 50 FFEA CN/C(=N\c1ccccc1)S[C@@H]1CC(=O)N(c2cccc(OC)c2)C1=O 13543699 ZPNSZRVISQIIGY-MRXNPFEDSA-N 369.446 2.967 30 50 FFEA Cc1ccc(N(/C=N/C#N)CC(=O)N2CCN(c3ccccc3)CC2)cc1 17440309 ZOODZPXDUJEASP-HAVVHWLPSA-N 361.449 2.660 30 50 FFEA C#CCCC1(CCNC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)cc2)N=N1 2325891117 RIMYYRNGPIPASP-MRXNPFEDSA-N 371.416 2.904 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H]2CCCN(c3ccccc3OC)C2=O)N=N1 2325892417 MPDDVKUSXOZMFX-OAHLLOKOSA-N 368.437 2.663 30 50 FFEA N#Cc1ccccc1-c1ccc(CN2CCN(c3nccnc3C#N)CC2)o1 65505732 VEPBGOULMIXSSF-UHFFFAOYSA-N 370.416 2.802 30 50 FFEA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1c(O)ccc2ccccc12)[C@@H]1C[C@@H]31 239175805 QQRCACCILUTOLS-BVBVUKCESA-N 358.397 2.932 30 50 FFEA N#Cc1ccc(CN2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)cc1 1857730792 XPUIMNMSTUSTGP-SJBKTWHCSA-N 359.429 2.833 30 50 FFEA Cc1ccc([C@]23C[C@H]2CN(C(=O)C(=O)N2CCC[C@@](C)(CC#N)C2)C3)cc1 2325807340 SHVXESCCMOQELZ-YUXAGFNASA-N 365.477 2.637 30 50 FFEA C=CC[C@@]12C[C@@H](OC1=O)[C@@H]1[C@@H](CC=C3CC4(CC[C@@]31C)OCCO4)C2=O 216301110 HPJIPJBUJISTCO-ZGMAETJZSA-N 358.434 2.943 30 50 FFEA OCC#Cc1csc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)c1 828644594 JJKOHYRTWWISII-OAQYLSRUSA-N 366.530 2.767 30 50 FFEA O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(F)cc1 9008528 XTWUBXXMEAJWMR-NJGYHNCTSA-N 367.376 2.796 30 50 FFEA N#Cc1cccc(CNC(=O)CN2CCCC[C@H]2c2noc(C3CC3)n2)c1 370194938 RSLSTMHAEVFJFF-KRWDZBQOSA-N 365.437 2.662 30 50 FFEA Cc1cocc1C(=O)N[C@@H]1CC[C@@H]2CN(c3ccncc3C#N)C[C@H]2C1 1875339056 UYNJDNGTRQCTLY-BFYDXBDKSA-N 350.422 2.890 30 50 FFEA COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccco2)cc1OC 1097767 UVXZICPBUYVOPH-KRWDZBQOSA-N 357.362 2.781 30 50 FFEA C=CCC[C@H](CC(C)C)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 2325774216 QZBRNUVEOHFWIM-CYBMUJFWSA-N 364.467 2.979 30 50 FFEA COc1cc(OC)c(OC)cc1C=NN1CCN(Cc2ccccc2)CC1 2928919 ISEYRRUPUMHJJR-UHFFFAOYSA-N 369.465 2.864 30 50 FFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(OC)ccc1OC 3191392 FSIZAFTZDFOGLF-MRXNPFEDSA-N 373.405 2.558 30 50 FFEA N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)CCCOc1ccccc1 4978747 RORLZVCLOFBVIC-UHFFFAOYSA-N 357.366 2.812 30 50 FFEA C=CCc1cc(CN2CCN(c3ncnc(C)c3C)CC2)cc(OC)c1O 65452914 ITXZNKJDXQJGPS-UHFFFAOYSA-N 368.481 2.858 30 50 FFEA CC[C@@H](OC1CCCCC1)C(=O)NS(=O)(=O)c1cccc(F)c1C#N 160069127 PHPGFPMHYZKQTK-OAHLLOKOSA-N 368.430 2.630 30 50 FFEA C[C@@H]1CN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)C[C@@H](C)O1 252695392 ZHQRYBIJOKTXQH-ALMNHBOISA-N 363.498 2.623 30 50 FFEA biogenic COc1ccc(NS(=O)(=O)c2ccc(N=Cc3ccco3)cc2)nn1 252678878 GZLBNBKSYGJKLI-UHFFFAOYSA-N 358.379 2.630 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc([C@H](O)c3nccn3C)cc2)N=N1 2325900252 RAEVQKLWXGNPRO-KRWDZBQOSA-N 351.410 2.796 30 50 FFEA C=CCN(c1ccc(C(=O)NCCSC(C)(C)C)cc1)S(C)(=O)=O 2879959 IIAXVPBPRRMKNZ-UHFFFAOYSA-N 370.540 2.900 30 50 FFEA CCN(CC)CCNc1cc(C)nc2c1C(=O)C(=O)C=C2N1CCCCC1 3000171 DHOKHBXNKDRFNT-UHFFFAOYSA-N 370.497 2.736 30 50 FFEA Cc1nn(C)c(C)c1CN(C(=O)c1ccc(C#CC(C)(C)O)o1)C(C)C 65376651 MDNFEKYHWWJSBU-UHFFFAOYSA-N 357.454 2.803 30 50 FFEA O=[N+]([O-])c1cccc(S(=O)(=O)N/N=C\c2ccccc2C(F)(F)F)c1 17076404 BHUKVTVEBHALOE-NVMNQCDNSA-N 373.312 2.926 30 50 FFEA N#Cc1ccccc1C(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 91691298 WKQJSGAUBGFWSS-NRFANRHFSA-N 351.450 2.813 30 50 FFEA C=CCOc1c(Cl)cc(/C=C2\NC(=S)N(C)C2=O)cc1OCC 2168281 UKIYUHOZBHCGBN-WQLSENKSSA-N 352.843 2.991 30 50 FFEA C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(-n2c(C)cnc2O)cc1 2325703424 LBGIEJAMANHBSC-XSFVSMFZSA-N 370.434 2.589 30 50 FFEA Cc1cc(C(=O)N2CC(F)(F)C[C@H]2CO)c(C)n1-c1ccc(C#N)cc1 372559270 ZCUUMPOYVURSMF-INIZCTEOSA-N 359.376 2.808 30 50 FFEA COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2C)cc1OC 135752166 QUBXZDZOEBXZJC-HVESIFNPSA-N 353.374 2.755 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(N(C)C)cc1)CC2 91603804 GXTXTVBAHUYZDB-UHFFFAOYSA-N 355.482 2.783 30 50 FFEA CC1(C)OB(c2cc(C(=O)NC3CCCC3)cc([N+](=O)[O-])c2)OC1(C)C 170004066 YBOGDIKJENVWKU-UHFFFAOYSA-N 360.219 2.566 30 50 FFEA CN1CCC[C@H](CN(CCc2ccccc2)C(=O)c2cc(C#N)cn2C)C1 95497228 JWJDKOJUGKVUFL-IBGZPJMESA-N 364.493 2.923 30 50 FFEA O=C1Oc2ccccc2C(=O)/C1=C\Nc1ccc2c(c1)nc1n2CCOC1 828327329 PUXUUBWQOAVWNL-GXDHUFHOSA-N 361.357 2.664 30 50 FFEA CC1(C)OB(c2cccc(NS(=O)(=O)c3ccccc3)c2)OC1(C)C 205059263 YGZIPWRRGWCAOA-UHFFFAOYSA-N 359.256 2.787 30 50 FFEA COc1cc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)cc(OC)c1OC 1429748 ONEAQYGIKRIZFF-ZDUSSCGKSA-N 374.437 2.512 30 50 FFEA Cc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)sc2ccc(C#N)cc12 428012152 CXBXQDYETJTPEZ-UHFFFAOYSA-N 371.443 2.981 30 50 FFEA Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1cc[nH]n1 370563593 KWRAFWQMWVTWDG-SFHVURJKSA-N 354.458 2.823 30 50 FFEA COc1cccc(C(=O)/C=C(\O)C(=O)Nc2ccc3c(c2)COC3=O)c1 334163431 RVEOQMHYBYHTFT-MFOYZWKCSA-N 353.330 2.629 30 50 FFEA 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(Br)cc1 252327547 URPZHFWDRVPDSQ-NJQYJPLRSA-N 371.234 2.836 30 50 FFEA Cc1cocc1C(=O)N[C@@H]1CC[C@H]2CN(c3ccncc3C#N)C[C@@H]2C1 1875339058 UYNJDNGTRQCTLY-YQQAZPJKSA-N 350.422 2.890 30 50 FFEA Cc1nc(CN2C[C@@H](F)C[C@H]2CNc2nnc(C)c(C)c2C#N)cs1 328655373 YGPCRIQQLDRHJT-ZFWWWQNUSA-N 360.462 2.755 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)N=N1 2325892718 YUTCSBZZUIDBKZ-DOTOQJQBSA-N 352.438 2.648 30 50 FFEA COc1cc(OC)cc(C(=O)/N=C(\N)Nc2nc3ccccc3s2)c1 6858288 QBWYNHJLERBERJ-UHFFFAOYSA-N 356.407 2.881 30 50 FFEA O=C1[C@@H](/N=C(/O)N2CCCCO2)CCCN1c1ccc(OC(F)F)cc1 328714763 SNZHXZKPASHWGX-AWEZNQCLSA-N 369.368 2.725 30 50 FFEA Cc1nn(CCO)c(C)c1-c1c(C)c(-c2ccc(O)cc2)nc(N)c1C#N 71746963 ZONKYKPKVGEBBM-UHFFFAOYSA-N 363.421 2.689 30 50 FFEA O=[S@+]1(O)C[C@H]2NC(=S)N(c3cc(C(F)(F)F)ccc3Cl)[C@H]2C1 334158399 MBECCIKFSULBET-SCZZXKLOSA-P 371.813 2.777 30 50 FFEA C=CC(=O)Nc1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)cc1 366185521 CQEHXQAFZCQDJF-FXAWDEMLSA-N 353.422 2.879 30 50 FFEA COc1ccc2c(c1)[C@H](/N=C(/O)[C@@H]1CCOC1)CCN2C(=O)[C@H]1CCOC1 329542615 XWGAFPHGQJONQW-JKIFEVAISA-N 374.437 2.503 30 50 FFEA CCOC(=O)[C@@H]1C(=O)C[C@](O)(c2ccccc2)[C@@H](C#N)[C@@H]1c1ccccc1 216173259 LOACLDDBDOFPHY-KMQSCTNJSA-N 363.413 2.950 30 50 FFEA COC(=O)c1cc(C#N)c(N2CCC[C@@H](OCc3ccccn3)C2)nc1C 77406089 VKWCHBUZZSEVIC-QGZVFWFLSA-N 366.421 2.629 30 50 FFEA O=C(/C=C/c1ccc(/C=C/C(=O)c2cc[n+]([O-])cc2)cc1)c1cc[n+]([O-])cc1 19908277 XHLSCWAKZXCENT-KQQUZDAGSA-N 372.380 2.746 30 50 FFEA Oc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)c(O)c1 5427388 BNJWQPOGLDBHOX-DEDYPNTBSA-N 368.441 2.534 30 50 FFEA CS(=O)(=O)N(Cc1cccc(C#N)c1)c1cccc(-n2cccn2)c1 2356156128 SGRKKPDPACVMDO-UHFFFAOYSA-N 352.419 2.710 30 50 FFEA C=CCN1CCN(C(=O)[C@@H](C)Oc2ccccc2Br)CC1 20311820 KQKJOKSCRVFCSX-CYBMUJFWSA-N 353.260 2.547 30 50 FFEA C[C@H]1CN(c2ccccc2N/C(O)=N/[C@@H]2CCc3c[nH]nc3C2)C[C@@H](C)O1 329794832 CISLPQGUPBMBLO-IJEWVQPXSA-N 369.469 2.907 30 50 FFEA N#Cc1cccc(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1 72447078 RESUHJLQOQTYGN-NRFANRHFSA-N 361.449 2.757 30 50 FFEA N#Cc1ccc(-c2cccc(C(=O)N3C[C@@H](CO)[C@H](CO)C3)c2)cc1Cl 426677319 AJQDPJNSJWAAIG-ROUUACIJSA-N 370.836 2.551 30 50 FFEA CC(C)(C)N1CC[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 584897068 VGQVUKJOMSNQPD-QGZVFWFLSA-N 369.513 2.510 30 50 FFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)cc1 2922920 CWPZVQUQAIIGEK-IBGZPJMESA-N 371.433 2.853 30 50 FFEA NS(=O)(=O)c1ccc(C/N=C(/S)NCc2ccc(Cl)cc2)cc1 8830322 GOEDYSIPUGJTMJ-UHFFFAOYSA-N 369.899 2.563 30 50 FFEA N#Cc1ccc(CN(CC(F)(F)F)C(=O)C[C@@H]2CCCC(=O)N2)cc1 377338938 DMDHBXLNDRVYSL-AWEZNQCLSA-N 353.344 2.508 30 50 FFEA Cn1cc(CN2CCN(c3ccccc3C#N)C(=O)C2)c(-c2ccccc2)n1 82098372 BWCVMBNTBGLEAS-UHFFFAOYSA-N 371.444 2.808 30 50 FFEA CSc1ncccc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C#N)cc1 222670909 NJXBTHGUWFYNDZ-IAGOWNOFSA-N 369.446 2.641 30 50 FFEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(c2cncc3nccn23)C1 1857736624 OIPSZDMCGMIKHP-MRXNPFEDSA-N 363.421 2.905 30 50 FFEA CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)/N=C1/NCCS1 1476079 BZFSDAVTASDSDP-HNNXBMFYSA-N 361.511 2.958 30 50 FFEA Cc1cc(C)c(C#N)c(N2CCN(Cc3cnc(-c4ccco4)nc3)CC2)n1 65491853 FQQVFCCOJIHXIH-UHFFFAOYSA-N 374.448 2.942 30 50 FFEA CN(C)Cc1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)ccc1O 71747846 MWFZRQPEGBXABM-WMLDXEAASA-N 363.465 2.661 30 50 FFEA CN(C)[C@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1cccc(F)c1 91756776 WLRXLVYNEKKZFQ-FQEVSTJZSA-N 366.440 2.649 30 50 FFEA COc1ccc(CN[C@@H]2CC[C@H](C(F)(F)F)N(C(C)=O)C2)cc1C#N 886065752 SPQHMSHDDGLNGH-GDBMZVCRSA-N 355.360 2.598 30 50 FFEA COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1cccc([N+](=O)[O-])c1O 3122957 JXOOBZSGYFVSPC-PPAWOMOGSA-N 367.361 2.985 30 50 FFEA CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CC#N)CC[C@H]1c1ccc(F)cc1 837853918 ZHKMGFJCWYLOGL-JKSUJKDBSA-N 361.417 2.949 30 50 FFEA C=CCOc1c(Cl)cc(CNCc2nc(C)cc(=O)[nH]2)cc1OCC 67774428 XQYSCFWHWOWNPP-UHFFFAOYSA-N 363.845 2.985 30 50 FFEA Cc1cc(C)n(-c2nnc(C)n2/N=C/c2cc([N+](=O)[O-])ccc2Cl)n1 1118146 SYATWNQITMSPQT-CAOOACKPSA-N 359.777 2.833 30 50 FFEA Cc1ncc2c(c1C#N)CCN(C(=O)[C@@H]1CCCN(Cc3ccco3)C1)C2 55227411 ZEQMPFWDKAZQER-MRXNPFEDSA-N 364.449 2.652 30 50 FFEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F 19582801 HODXMUDWABFYCQ-GOSISDBHSA-N 368.408 2.966 30 50 FFEA CC1=CC(=O)C=C/C1=N\OC(=O)c1cccc([N+](=O)[O-])c1Br 4754909 VUDMWRVCAROBHS-LFIBNONCSA-N 365.139 2.955 30 50 FFEA CCN1CCc2nc(N=C(O)[C@@H]3CCO[C@H]3c3nccn3C)sc2C1 328957449 OAXIWISFHREQPC-BXUZGUMPSA-N 361.471 2.620 30 50 FFEA C=CCCO[C@H](C)C(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 952892140 KRLVOXUCFXMMMY-OAHLLOKOSA-N 369.469 2.564 30 50 FFEA N#Cc1ccc(S(=O)(=O)N2CCC([C@H](O)c3cccs3)CC2)cc1 952971209 IWMHMFFICJQBOI-KRWDZBQOSA-N 362.476 2.754 30 50 FFEA Ic1ccc(-n2cccc2/C=N/n2cnnc2)cc1 1102258 ZJQZOTYRYWWZBA-CAOOACKPSA-N 363.162 2.556 30 50 FFEA C[C@H](/N=C(/S)NCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2 13497614 KMFOWMZNQZGALG-ISOUWHGUSA-N 351.560 2.799 30 50 FFEA COc1ccc(CN2C[C@@H](NC(C)=O)CC[C@H]2C(F)(F)F)cc1C#N 492670629 QXKLJMDFDJGCMF-HOCLYGCPSA-N 355.360 2.598 30 50 FFEA C=CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1cccnc1 6741829 WXTVYQVXIFUBSS-UHFFFAOYSA-N 365.462 2.935 30 50 FFEA Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 113893118 OEIQLJNDIVABKY-GOSISDBHSA-N 354.458 2.823 30 50 FFEA Cc1ccc(S(=O)(=O)OCCOCCOCc2ccccc2)cc1 34204393 NFEMXFVBUWGQRW-UHFFFAOYSA-N 350.436 2.934 30 50 FFEA Cc1nn(C)c(C)c1-c1cc(-c2cc(CC(=O)O)cs2)nc(N)c1C#N 71771235 BDMDNPFGSKRCIL-UHFFFAOYSA-N 367.434 2.908 30 50 FFEA C[C@H]1CN(c2cccc(Cl)c2)CCN1S(=O)(=O)CCCCC#N 864097404 RTXOJLXNCSRSQV-AWEZNQCLSA-N 355.891 2.874 30 50 FFEA CC1(C)OB(c2c(I)ccnc2Cl)OC1(C)C 169794071 YREHTQZLXDCHCP-UHFFFAOYSA-N 365.407 2.639 30 50 FFEA in-vitro CC1(C)OB(c2ccc(C#CI)cc2)OC1(C)C 169804561 PZUCOUUJNDLQTQ-UHFFFAOYSA-N 353.996 2.730 30 50 FFEA C[C@H](C/N=C(/O)N1C[C@@H]2CC[C@H](C1)O2)Oc1ccccc1Br 330138988 VZCUJYLAXSFEIC-UPJWGTAASA-N 369.259 2.994 30 50 FFEA COc1ccc([C@@H]2CCN(S(=O)(=O)Cc3cccc(C#N)c3)C2)cc1 264468911 IIWAEOYJRGEHJZ-GOSISDBHSA-N 356.447 2.886 30 50 FFEA C=CCC(=O)N1CC[C@H]2C[C@H]1CN(C(=O)C(Br)=C(C)C)C2 2325878734 ZVMLNHSPHKTUGD-STQMWFEESA-N 355.276 2.701 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)N=N1 2325892719 YUTCSBZZUIDBKZ-NVXWUHKLSA-N 352.438 2.648 30 50 FFEA O=[N+]([O-])c1cccc(/C=N/N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 4828534 IFTWQJAYGSICME-BOFQVRIASA-N 359.407 2.622 30 50 FFEA CC1(C)OB(c2ccccc2S(=O)(=O)NC2CCCCC2)OC1(C)C 170005307 OZGJMWAJQMCWAV-UHFFFAOYSA-N 365.304 2.597 30 50 FFEA O/C(=N/[C@H]1CCN(Cc2ccccc2)C1)N1CCC(c2cc[nH]n2)CC1 329460232 RUXOLYFOYQXULG-SFHVURJKSA-N 353.470 2.778 30 50 FFEA CCOC(=O)c1cnc(N/N=C/c2cc(Br)ccc2O)nc1 252501295 UDOCESXAMGIMLA-QGMBQPNBSA-N 365.187 2.567 30 50 FFEA CC(=O)/N=C1/NC(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)S1 4622080 YGGDUHVBPIOPQF-KPKJPENVSA-N 368.256 2.622 30 50 FFEA C/N=C1/S[C@H](CC(=O)Nc2ccc(C)cc2Br)C(=O)N1C 16265637 CUZVFNJLVMZFFE-KTEBKFLVSA-N 370.272 2.646 30 50 FFEA C#CCCC1(CCC(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)N=N1 2325892876 NMNMIFFSQJZDEI-QFBILLFUSA-N 370.501 2.617 30 50 FFEA C#CCCC1(CCC(=O)N2CCC(c3nc(CC(=O)O)cs3)CC2)N=N1 2325900603 BJQALZDUNXHLMU-UHFFFAOYSA-N 374.466 2.832 30 50 FFEA Cc1noc([C@H](NCc2ccc(O[C@H](C)C#N)cc2)C2CCOCC2)n1 328619483 FVWWDSVMOFYINJ-FZKQIMNGSA-N 356.426 2.926 30 50 FFEA C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H]1C(O)=Nc1nccs1 329389291 QXKVYYGEAGTNAL-MELADBBJSA-N 367.471 2.696 30 50 FFEA N#Cc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)cn1 95502249 NPNAMRBHQDDXIZ-UHFFFAOYSA-N 374.444 2.608 30 50 FFEA COc1cc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)ccc1F 1565529310 MYLIQWHZOBWKRV-HKUYNNGSSA-N 370.380 2.672 30 50 FFEA CCOc1ccc(C(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)cc1OCC 5013582 HMPCJOLCVCBBCX-UHFFFAOYSA-N 373.365 2.870 30 50 FFEA CN(C(=O)C1=CC(=O)CC(C)(C)O1)[C@H]1CCCN(CCc2ccccc2)C1 12469405 GQJKKENNZPDUEK-SFHVURJKSA-N 370.493 2.804 30 50 FFEA CN(C)/C=C/C(=O)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)c1 1388722 DIJPXGOFUIRCEZ-ZHACJKMWSA-N 374.418 2.827 30 50 FFEA COc1ccc(N2CC(=O)C(c3nc4ccc(C)cc4[nH]3)=C2N)c(OC)c1 8844105 ZTGWNIUMKHZKGC-UHFFFAOYSA-N 364.405 2.605 30 50 FFEA N#Cc1ccc(N2CC[C@@H](N3CCO[C@]4(CCc5ccccc54)C3)C2=O)cc1 159394578 DGAJWHBPKOQVFX-FYYLOGMGSA-N 373.456 2.837 30 50 FFEA N#CC1(c2nc(-c3cccc(CN4CCCCC4)c3)no2)CCNCC1 2325799254 BDYZWWGYXKZFKT-UHFFFAOYSA-N 351.454 2.867 30 50 FFEA CC(=O)Oc1cc(C)cc(C)c1C(C)(C)CC(=O)ON1C(=O)CCC1=O 103687423 KMNOKEFBKJGRFL-UHFFFAOYSA-N 361.394 2.504 30 50 FFEA C[C@@H]1CN(Cc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccccc1 170603585 ZSYSCEYMULATDE-QGZVFWFLSA-N 369.490 2.594 30 50 FFEA CS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 170640628 CTHTVVJAVGMOFI-JKSUJKDBSA-N 366.508 2.778 30 50 FFEA COc1cc(/C=C/C(=O)c2cccc(NS(C)(=O)=O)c2)cc(OC)c1 170621732 HYBJYMMFGJEPML-BQYQJAHWSA-N 361.419 2.971 30 50 FFEA C=CCN1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)NC1=S 1155079 AALQKHCUGODAIH-RVDMUPIBSA-N 371.849 2.943 30 50 FFEA C=CCNC(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1COC 11783512 WKUKHQOTJRDYIA-UHFFFAOYSA-N 369.450 2.761 30 50 FFEA N#Cc1cccc(-n2nc(C3CCC3)nc2-c2cc3cncn3c(O)n2)c1 2325862896 MUGUSXPFIKLWCT-UHFFFAOYSA-N 357.377 2.822 30 50 FFEA N#Cc1cccnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 7051451 NLFJMQBMFBWLMO-UHFFFAOYSA-N 354.435 2.521 30 50 FFEA C#CCCC(=O)N1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1 225471277 DSQKPCAHNKDFHM-UHFFFAOYSA-N 369.490 2.876 30 50 FFEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)c1ccc(C#N)cn1 328631195 QPEPSVWDBKOEPL-LBPRGKRZSA-N 363.343 2.503 30 50 FFEA N#Cc1c(N)nc2c(c1-c1cccc(OCc3ccccn3)c1)CNCC2 72134505 LUKIEEIQTBLSDF-UHFFFAOYSA-N 357.417 2.822 30 50 FFEA C=CCn1cc(-c2cc(-c3cc(CC(=O)O)cs3)nc(N)c2C#N)cn1 71747644 JBLSWNDSQXBXEK-UHFFFAOYSA-N 365.418 2.941 30 50 FFEA C=CCOc1ccc([C@@H]2CC(=O)Nc3[nH]nc(C(=O)NC)c32)cc1CC=C 65455283 UIWQIGDZRYIYGG-AWEZNQCLSA-N 366.421 2.537 30 50 FFEA Cc1nc(CN(C)[C@H]2CCCN(C(=O)C3(C#N)CCCCC3)CC2)no1 328634019 MJJKDAQYTFRCMG-INIZCTEOSA-N 359.474 2.665 30 50 FFEA CC[C@@]12OC(=N)[C@@](C#N)([C@@H]1C)C(C#N)(C#N)[C@@H](c1ccc([N+](=O)[O-])cc1)O2 136365060 OIUQJVXWKRBEHP-RNBONZGASA-N 365.349 2.960 30 50 FFEA Cc1ccc(OC2(C(=O)O)CCN(Cc3cccc(C#N)c3)CC2)cn1 72426749 YXMDEFIZDTXSIP-UHFFFAOYSA-N 351.406 2.760 30 50 FFEA 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(O)ccc2ccccc12 252428622 QQRCACCILUTOLS-LKJZXRBGSA-N 358.397 2.932 30 50 FFEA CN1C[C@@]2(C)CN(C(=O)c3cccc(C#CC(C)(C)O)c3)C[C@@](C)(C1)C2 952969359 STPVKBWFXAQPRB-SZPZYZBQSA-N 354.494 2.613 30 50 FFEA CC1(C)OB(c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2F)OC1(C)C 169935540 PJCSUAIUPWCQRS-UHFFFAOYSA-N 366.022 2.563 30 50 FFEA in-vitro NS(=O)(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 1107486 YLZCXFNEZYMLLJ-LZYBPNLTSA-N 355.213 2.553 30 50 FFEA N/C(=N/OC(=O)c1ccccc1Br)c1ccc([N+](=O)[O-])cc1 18161863 QWBZEMYFWMWFBB-UHFFFAOYSA-N 364.155 2.835 30 50 FFEA N#Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 4856638 ALYMOXDMWBARDB-UHFFFAOYSA-N 354.341 2.568 30 50 FFEA C#CCN(Cc1cnc(S(C)(=O)=O)n1CC(C)C)C1CCCCC1 23144595 XAMIDMGKBMKUAE-UHFFFAOYSA-N 351.516 2.711 30 50 FFEA CCN1CC[C@]2(CCC1=O)CN(c1nc(C(C)C)ccc1C#N)CCN2C 91650457 GVNSTPPAAHDSIC-OAQYLSRUSA-N 369.513 2.600 30 50 FFEA Cc1ncc(NC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc1C#N 1875272524 NUOCKNZSVLUWOZ-BETUJISGSA-N 351.410 2.523 30 50 FFEA N#Cc1cc2cccnc2nc1N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O 1875398775 DVCBYIQGHKZEHI-IUIKQTSFSA-N 368.828 2.603 30 50 FFEA Cc1nsc(N2C[C@@H]3CCC[C@H](NC(=O)[C@H]4CC45CC5)[C@H]3C2)c1C#N 1875405508 HVGUNNZONJWTOR-HNKHHVNMSA-N 356.495 2.844 30 50 FFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(c2ccccc2OC)CC1 281812793 NXLBRYWMJRAWJM-APWZRJJASA-N 359.470 2.508 30 50 FFEA CC(C)(C)CC(=O)N1CSC[C@@H]1/C(O)=N/Cc1noc(C2CC2)n1 328956521 NSABZUUEIUCMOI-LLVKDONJSA-N 352.460 2.741 30 50 FFEA C[C@H](C/N=C(\O)C(F)(F)C(F)(F)F)NC(=O)C(F)(F)C(F)(F)F 68572249 PWNFPORUSSGBMA-GSVOUGTGSA-N 366.155 2.843 30 50 FFEA biogenic C#CCCC1(CCC(=O)N2CCC(c3nnc4n3CCCC4)CC2)N=N1 952883338 YYZBQWWYOHMQGY-UHFFFAOYSA-N 354.458 2.676 30 50 FFEA C[C@H](NC[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)c1cccc(C#N)c1 886026747 UAURBKWSQJNODV-NQYLQCIDSA-N 351.454 2.552 30 50 FFEA CC#CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 11839156 URSSWAZHLLKKGZ-IBGZPJMESA-N 364.449 2.832 30 50 FFEA C[C@H](c1ccccc1)N1CC[C@H](N/C(O)=N/[C@H]2CCc3c[nH]nc3C2)C1 329867674 WIVGPPKZWRDDDT-JLSDUUJJSA-N 353.470 2.606 30 50 FFEA C=CCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 12301323 XROXEWWTRXNKIV-LJQANCHMSA-N 369.509 2.582 30 50 FFEA COc1nccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c1C#N 299778627 QTVMFNCPWCHAIS-UHFFFAOYSA-N 364.449 2.845 30 50 FFEA COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1C[C@@H](C)O 13123622 JBFBWXNANUTGIY-ACJLOTCBSA-N 367.401 2.654 30 50 FFEA O=C(O)CN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@@H]1c1ccccc1 15769387 RYRBOMNGXSPTHZ-JZHDPFOFSA-N 363.369 2.749 30 50 FFEA O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1ccccc1F)c1ccco1 1153999 MLTBKXNVJIGXFF-HNNXBMFYSA-N 365.320 2.992 30 50 FFEA C=C(C)CN1CCN(c2ncnc3c2cnn3-c2ccc(F)c(F)c2)CC1 9419000 ROCFKTLDOOYURK-UHFFFAOYSA-N 370.407 2.792 30 50 FFEA C=CCON1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 216190453 OUJMQUZNSJGMOH-WXTZSCEWSA-N 357.020 2.767 30 50 FFEA CC(C)CN1CCCn2nc(CNC(=O)c3cc(F)cc(C#N)c3)cc2C1 82136750 JGEWNJWNQARZHK-UHFFFAOYSA-N 369.444 2.686 30 50 FFEA Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCOCc2ccccc21 279552559 TWUNIIYGWUORID-UHFFFAOYSA-N 351.406 2.772 30 50 FFEA Cc1cc(C)c(C#N)c(N2CCCN(C(=O)c3oc(C)nc3C)CC2)n1 1772819837 VDUOMDGMDQKKML-UHFFFAOYSA-N 353.426 2.527 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)N=N1 2325892710 YEXCTPNUDNQSQW-KRWDZBQOSA-N 368.437 2.899 30 50 FFEA COc1cc(C#N)c(NC(=O)CN2CCc3ccccc3C2)cc1OC 1422813 YABBPPXKDYDMTL-UHFFFAOYSA-N 351.406 2.572 30 50 FFEA CC1CCN(C(=O)C2CCN(/C(O)=N/[C@H](C)[C@H]3CCCOC3)CC2)CC1 329485411 FXWKUCWRNNBSJO-AEFFLSMTSA-N 365.518 2.686 30 50 FFEA CC(C)c1nc([C@@H]2CCCCN2C(=O)COc2ccccc2C#N)n[nH]1 289161427 RATFXMZRZBUTPG-HNNXBMFYSA-N 353.426 2.932 30 50 FFEA CN1CCC[C@@]2(CCN(C(=O)CC3=C(c4ccccc4)CCC3=O)C2)C1=O 91644611 LCHJNROTWSZEAM-QFIPXVFZSA-N 366.461 2.664 30 50 FFEA C#CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 4819803 GHSLHMNRKBGNLE-UYRXBGFRSA-N 374.396 2.982 30 50 FFEA CC(C)(C)O[C@@H](C(=O)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 154980141 XUBHBTSTXLLNOU-QGZVFWFLSA-N 372.446 2.920 30 50 FFEA C=CCN1CC[C@@H](CNC(=O)N2CCN(c3ccccc3Cl)CC2)C1 584887182 LXQDHZOIVSSHIM-INIZCTEOSA-N 362.905 2.680 30 50 FFEA C#CCOc1cc(C(=O)N2C[C@H]3CCC[C@](O)(CC)[C@H]3C2)ccc1OC 1704360452 ZFFUOWZNRIBMLY-LLGFUMIMSA-N 357.450 2.720 30 50 FFEA Cn1cc([C@@H]2OCC[C@H]2CNc2cc(C(F)(F)F)cnc2C#N)cn1 840368898 TUOCDOYIXGUHEK-ZUZCIYMTSA-N 351.332 2.895 30 50 FFEA C=CCN1C(=O)/C(=C\c2cc3c4c(c2)CCCN4CCC3)C(=O)N=C1S 6780776 UAAYLWLOUNUESO-VBKFSLOCSA-N 367.474 2.609 30 50 FFEA C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1c(O)c2ccccc2oc1=O 100299591 YKSBUWWJPMTLKP-XDHOZWIPSA-N 372.402 2.510 30 50 FFEA Cc1cc(C#N)ccc1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328642706 YKZBQMJRLNLCKP-FXAWDEMLSA-N 365.481 2.755 30 50 FFEA C[C@]12C[C@H](O)[C@@]3(F)[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21OCC1=O 257357406 NVDNCLODVOXYKU-DLQWHNFBSA-N 362.441 2.919 30 50 FFEA CCc1nc(C)sc1C(=O)N[C@H]1COCC[C@@H]1Oc1ccc(C#N)cc1 1565511602 VPARRWNYJLWKOI-IRXDYDNUSA-N 371.462 2.852 30 50 FFEA O=C(O)CN1C(=O)C(O)=C(C(=O)/C=C\c2ccccc2)[C@H]1c1ccccc1 15769390 RYRBOMNGXSPTHZ-YAINUAMHSA-N 363.369 2.749 30 50 FFEA CC1(C)OB(c2c(Br)cncc2Br)OC1(C)C 200975642 QEXYPVKJJSCBPW-UHFFFAOYSA-N 362.858 2.906 30 50 FFEA C#CCCC1(CCC(=O)N(C)C[C@H]2CN(Cc3ccccc3)CCO2)N=N1 2325901199 XXHAOXBDIRLEQH-IBGZPJMESA-N 368.481 2.702 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)NCc2cnn(-c3ccc(F)cc3)c2)o1 65394284 PCPXAOXJTRYWKW-UHFFFAOYSA-N 367.380 2.657 30 50 FFEA CC(C)c1ccn(C2(C(=O)O)CCN(Cc3cccc(C#N)c3)CC2)n1 72424169 VSCLKHQZKDDZKD-UHFFFAOYSA-N 352.438 2.954 30 50 FFEA Cc1nnc2n1[C@H](C)CN(C(=O)CC1=C(c3ccccc3)CCC1=O)C2 96141299 NWZHAUHUFLZFQS-CYBMUJFWSA-N 350.422 2.697 30 50 FFEA CN(C)Cc1cc(O[C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)ccn1 886056956 ZCQRFXPHEKSCEP-LJQANCHMSA-N 354.429 2.807 30 50 FFEA C[C@@H]1Oc2c(C(=O)NS(=O)(=O)Cc3ccccc3C#N)cccc2[C@@H]1C 170630561 RVHZMVMTYCDVNO-OLZOCXBDSA-N 370.430 2.702 30 50 FFEA C=CCN(CC=C)[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC=C)C1 14747511 YGVSRJFZKZMARO-QGZVFWFLSA-N 354.498 2.836 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H](c2ccc(OC)cc2)c2nccn2C)N=N1 2325891981 SMQVLAMKKXSMAW-SFHVURJKSA-N 365.437 2.990 30 50 FFEA CC(C)c1ccc2ncc(C#N)c(N3C[C@H]4CS(=O)(=O)C[C@H]4C3)c2c1 896909534 VOKHBUBMDSBGPN-IYBDPMFKSA-N 355.463 2.711 30 50 FFEA Cn1ccnc(N2CCC[C@H](/N=C(/O)[C@@H]3C[C@H]3c3ccccc3)C2)c1=O 328656495 ZJFRYILNJCDTAX-YESZJQIVSA-N 352.438 2.509 30 50 FFEA Cc1ccc(C#N)c(N2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)n1 67817945 MNTNDUPOODMRPP-MRXNPFEDSA-N 360.421 2.520 30 50 FFEA Cc1nnc(NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)c(C#N)c1C 328629159 ONHJOXNKHFXMDZ-LLVKDONJSA-N 350.348 2.855 30 50 FFEA O=C(C1CCC1)N1CSC[C@@H]1C(O)=Nc1nncn1-c1ccccc1 329307719 YLPOGNRAYORYQR-CQSZACIVSA-N 357.439 2.557 30 50 FFEA CCOC(=O)N1[C@H]2CC[C@@H]1c1c(nc(N)c(C#N)c1-c1cc(CC)n[nH]1)C2 71738398 HOZUDOJTTCSCCA-XHDPSFHLSA-N 366.425 2.706 30 50 FFEA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(C#N)c(O)nc2C)C1 95356253 IQYTYMFZFQDHNG-OAHLLOKOSA-N 367.453 2.984 30 50 FFEA N#Cc1ccc(C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)cn1 92065576 UXLQXVJHZFNJCL-UHFFFAOYSA-N 372.432 2.613 30 50 FFEA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]31 252428603 PYFMQUCYIDMEMK-VRBIWECFSA-N 371.780 2.635 30 50 FFEA Cc1ccc(CC(=O)OC2CCN(CC#N)CC2)cc1Br 170603327 GKPDTNXSDIODDE-UHFFFAOYSA-N 351.244 2.831 30 50 FFEA COc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2ccc(F)cc2)S1 18209083 KRALAFVFXGMXQM-MBTVCVBTSA-N 357.410 2.999 30 50 FFEA CC1(C)[C@H](/N=C(/O)N2CC[C@](F)(CO)C2)C[C@H]1OCc1ccccc1 328703801 OKCCVZZZLFICIL-GPMSIDNRSA-N 350.434 2.691 30 50 FFEA O=C1[C@@H](NCc2cc(Cl)ccc2OCc2cccnc2)CCCN1O 895165364 JPDITQYEEWJDCK-INIZCTEOSA-N 361.829 2.784 30 50 FFEA CC(C)Oc1ccccc1/C=N/O[C@@H]1CCCN(c2cnn(C)c2)C1=O 170642550 RMGGQCRTIWUWCC-PGNNWUFWSA-N 356.426 2.753 30 50 FFEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccnc1 19582317 AYANXDOUVHIXID-MRXNPFEDSA-N 371.462 2.673 30 50 FFEA C=CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccccn1 6731621 GFKPARHYAGJKGA-UHFFFAOYSA-N 355.423 2.528 30 50 FFEA Cc1cc(C)c(C#N)c(N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)n1 284582991 HFBNDVOBNKVCMJ-QFBILLFUSA-N 352.486 2.823 30 50 FFEA Cc1nc(CC(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C#N)cc2)c(C)s1 218147821 XMPGCXDNSBLVLF-QZTJIDSGSA-N 371.462 2.527 30 50 FFEA C=CCN1CCC(Oc2ccc(C(=O)NCCOC)cc2Cl)CC1 95505297 LVWYRASTSKNNQN-UHFFFAOYSA-N 352.862 2.745 30 50 FFEA C=CCn1nc(C)c(-c2cn(C[C@@H]3COc4ccccc4O3)nn2)c1C 95380967 VVFQRQLKMKRQHI-OAHLLOKOSA-N 351.410 2.784 30 50 FFEA Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Br 245226593 FRPWETCRLJWQDS-QJSKMCNVSA-N 359.223 2.899 30 50 FFEA C#CCCC1(CCC(=O)N[C@H](CCc2ccc(OC)cc2)C(=O)O)N=N1 2325901184 XEMHWWBZXSLJPT-MRXNPFEDSA-N 357.410 2.553 30 50 FFEA CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCN1CCOCC1 20026975 VCJGQFNLGGZDBT-UHFFFAOYSA-N 363.465 2.974 30 50 FFEA COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1 841932 UOKNMJIFKCIMGP-CQSZACIVSA-N 372.377 2.695 30 50 FFEA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(/C(O)=N/[C@H]2C=CCCC2)CC1 328634317 MOMIXDJNINSIIS-RBUKOAKNSA-N 371.485 2.702 30 50 FFEA N#Cc1cc(N2CCC(N3CCCS3(=O)=O)CC2)ccc1C(F)(F)F 334137267 ZIRHQVKSGLVWBE-UHFFFAOYSA-N 373.400 2.581 30 50 FFEA Cc1c(C(=O)[C@H](C#N)c2ccc(F)cn2)cnn1CCO[C@@H]1CCCCO1 131145424 AQPHPVRLHRLJNA-CRAIPNDOSA-N 372.400 2.759 30 50 FFEA COc1nccc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)c1C#N 95529682 LGAISXPIUNDFJS-QGZVFWFLSA-N 374.448 2.986 30 50 FFEA Cc1ccc(C#C[C@@H](c2ccccc2OCCO)N2CCSCC2)nc1 95523185 HYTVVNXXPSRZFB-FQEVSTJZSA-N 368.502 2.903 30 50 FFEA Cc1cc(C)c(C#N)c(NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)n1 299785446 ZVUFEBFTAPRRTQ-UHFFFAOYSA-N 364.453 2.521 30 50 FFEA C#CCCC1(CCC(=O)N2CCn3c(C(=O)NC(C)C)ccc3[C@H]2C)N=N1 1875381866 JZKWAWSVXKSMBW-OAHLLOKOSA-N 369.469 2.885 30 50 FFEA C[C@]1(C(=O)O)CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 263482739 LKUXEPARTHHGMM-SFHVURJKSA-N 370.434 2.934 30 50 FFEA COc1ccc(-c2nc(C#N)c(N(C)CCc3noc(C)n3)o2)cc1OC 1857800715 QUMCJLRRFKPQJG-UHFFFAOYSA-N 369.381 2.601 30 50 FFEA C#CCCC1(CCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)N=N1 2325885342 MBTRJEKZDVCACI-UHFFFAOYSA-N 368.437 2.762 30 50 FFEA Cc1ncc2c(c1C#N)CCN(C(=O)c1cccc(C#CC(C)(C)O)c1)C2 65404533 HOWXRFXAXUNWIX-UHFFFAOYSA-N 359.429 2.583 30 50 FFEA N#Cc1ccsc1N1CC[C@H](Sc2nnc(NC3CC3)s2)C1=O 176934898 MUQKNDRDDSDVNY-JTQLQIEISA-N 363.493 2.943 30 50 FFEA C=C(C)COc1ccc(CN2CCOC3(CCNCC3)C2)cc1OCC 823364515 AOMJTPWFPNVIRK-UHFFFAOYSA-N 360.498 2.995 30 50 FFEA CSC1=Nc2oc3c(c2[C@@H](n2ncc(C#N)c2N)N1)CC(C)(C)SC3 4006553 ZJRFVGAQLIHERX-CYBMUJFWSA-N 374.495 2.998 30 50 FFEA C[C@H]1CN(c2cc(N3C[C@H](C)O[C@H](C)C3)c(C#N)cc2[N+](=O)[O-])C[C@H](C)O1 252549629 RLHRZRZIDKWMDT-XGUBFFRZSA-N 374.441 2.694 30 50 FFEA COc1ccccc1-c1ncc(-c2c(C#N)c(N)nc3c2CNCC3)s1 72146363 GQCZNIIFEVWJNB-UHFFFAOYSA-N 363.446 2.980 30 50 FFEA CCn1c(CN2CCCC2)nnc1C1CCN(c2cccc(C#N)n2)CC1 82098675 RZZPDHKXPBYZMI-UHFFFAOYSA-N 365.485 2.544 30 50 FFEA CC(=O)c1ccc(NN=C(C(N)=O)C2=NC(C)(C)Cc3ccccc32)cc1 255962435 ALJIEVIJBAJISI-UHFFFAOYSA-N 362.433 2.966 30 50 FFEA C=CCC1(C(=O)N[C@@H](C)C2(O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1875297188 FWDPBSHOGVZHJC-AWEZNQCLSA-N 352.475 2.609 30 50 FFEA C[C@]1(/C(O)=N/[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)CCC(O)=NC1 328838513 TZPROGJROLZLHB-ASKKUZCQSA-N 355.438 2.857 30 50 FFEA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(/C(O)=N/[C@@H]2C=CCCC2)CC1 328634318 MOMIXDJNINSIIS-RTBURBONSA-N 371.485 2.702 30 50 FFEA C=CCN1[C@H]2CCCC[C@H]2NC(=O)[C@H]1CC(=O)Nc1cccc(Cl)c1 226503414 TVERLAUBMYZBFH-IXDOHACOSA-N 361.873 2.966 30 50 FFEA Cc1ccc(OCCOCCOc2ccccc2/C=N\n2cnnc2)cc1 2888160 ZJSAMVCEYJDYCQ-UCQKPKSFSA-N 366.421 2.943 30 50 FFEA Cc1nc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)N[C@H]2C=CCCC2)cs1 328643546 RJTBMYSOTLWBQP-DZKIICNBSA-N 352.479 2.976 30 50 FFEA COC(=O)[C@H]1C/C(=C\B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 1857781295 GDMXNLWKFLYMSO-RSKUSDAESA-N 367.251 2.727 30 50 FFEA N#CC1CCN(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)CC1 69116610 GUNKNFPQKXMHCA-UHFFFAOYSA-N 359.817 2.878 30 50 FFEA COc1cc([C@@H]2NC(=S)NC(C)=C2C(C)=O)c(Br)cc1O 6857140 HAWOITWGGZUMKS-ZDUSSCGKSA-N 371.256 2.545 30 50 FFEA N#Cc1ccsc1N1CC[C@@H](N2CCN(Cc3cccs3)CC2)C1=O 333053870 QYCXMPUUKDMFGR-MRXNPFEDSA-N 372.519 2.604 30 50 FFEA CCN1CC[C@@H](CN(CC)S(=O)(=O)c2ccc(C#N)cc2Cl)C1 952970810 TWRAPBZBRHOMNB-CQSZACIVSA-N 355.891 2.564 30 50 FFEA O/C(=N/[C@H]1CC[C@H](O)CC1)N1CCC(N2CCc3cc(F)ccc32)CC1 328684581 FCXMIWAIOZKMKT-SAABIXHNSA-N 361.461 2.870 30 50 FFEA C[C@H](C1CC1)n1cc(N=C(O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)cn1 330214655 LVDVGBATXKQYEC-PUECVXPYSA-N 370.457 2.785 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(c1ccc(C(=O)N(C)CC)cn1)CC2 91390668 WSLNZIBOFALVMB-UHFFFAOYSA-N 370.497 2.569 30 50 FFEA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 190511432 BTEFJYXKZWQPKA-MRXNPFEDSA-N 354.479 2.917 30 50 FFEA CO[C@@H](C)/C(O)=N/C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 328605009 LWVGJMARRHHIPO-ZJNRKIDTSA-N 374.416 2.522 30 50 FFEA CCc1nnc(N2CCn3c(Cc4ccccc4)nnc3C2)c(C#N)c1CC 368550010 WAYAQPKKKNLSBE-UHFFFAOYSA-N 373.464 2.676 30 50 FFEA C[C@H]1OCCN(CCOc2ccccc2C#N)[C@@H]1c1nc(C2CC2)no1 286257811 RBNBFIVWEDWOKC-DYVFJYSZSA-N 354.410 2.659 30 50 FFEA O=C(CC1=C(c2ccccc2)CCC1=O)NCc1noc([C@H]2CCCO2)n1 299785528 UBPFVMANQCNXFP-QGZVFWFLSA-N 367.405 2.744 30 50 FFEA C=CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCCc1nc2c(C)cccc2[nH]1 55154301 JVMYMCQMPRDALJ-CVEARBPZSA-N 368.481 2.639 30 50 FFEA CC(C)Oc1cc(Br)cc(C(=O)N2CCOC[C@H]2C#N)c1 175893341 KKASOPFVCAIFIW-CYBMUJFWSA-N 353.216 2.601 30 50 FFEA N#Cc1cccc([C@H](NC(=O)C2CC(O)(CN)C2)c2ccc(Cl)cc2)c1 1875319702 OJGHQJTWZWJDKL-KGXSXCIVSA-N 369.852 2.517 30 50 FFEA COc1cc(C#N)ccc1S(=O)(=O)N(C)[C@@H](C)Cc1cccc(F)c1 416558846 KALDAOGQFFXSQD-ZDUSSCGKSA-N 362.426 2.958 30 50 FFEA CC1=C(C(=O)N2CCOCC2)[C@H](c2ccsc2)C2=C(CCCC2=O)N1 100640825 HQAGOUBGYBJTFZ-KRWDZBQOSA-N 358.463 2.575 30 50 FFEA COC(=O)c1cc(C#N)c(N2Cc3cnc(C(C)(C)C)nc3C2)nc1C 67673815 BFSFKGKFWMYFHA-UHFFFAOYSA-N 351.410 2.656 30 50 FFEA COc1cc(OC)cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)c1 67856824 IKVAYRMOBGUORR-YVEFUNNKSA-N 350.422 2.911 30 50 FFEA N#Cc1cccc(CN2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)c1 1857728287 VOUHMKHXXFYCLV-SJBKTWHCSA-N 359.429 2.833 30 50 FFEA CCS(=O)(=O)c1ccc2c(c1)NC(=CC(=O)c1ccccc1)C(=O)O2 2082943386 NEZFQSJOOKYJPF-UHFFFAOYSA-N 357.387 2.578 30 50 FFEA C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(N)cc1 4418067 OLEDFIARSZBDGL-UHFFFAOYSA-N 372.479 2.901 30 50 FFEA C#CCOc1ccc(C(=O)N[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc1 225644254 AMEZJYQKXZKVFB-CQSZACIVSA-N 361.405 2.678 30 50 FFEA COc1ccc(NC(=O)c2c(O)c3ccccc3n(CCC#N)c2=O)cc1 170624797 JTGMSIVUNZCOKG-UHFFFAOYSA-N 363.373 2.882 30 50 FFEA CCOC1CC(O)(CNC(=O)/C=C/c2cn(CCC#N)c3ccccc23)C1 253420447 XJADZOXYZXAOFN-CMDGGOBGSA-N 367.449 2.614 30 50 FFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 367095774 ZFBBEVAAZIOSOA-QRQLOZEOSA-N 366.502 2.727 30 50 FFEA COc1c2c(c(Br)c3c1OCO3)CCN(C)C(C(C)=O)=C2 263585112 FEXSHMZZADWNBU-UHFFFAOYSA-N 354.200 2.604 30 50 FFEA biogenic COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 2776115 HIOWWPSIXISDCN-GOSISDBHSA-N 359.397 2.983 30 50 FFEA C=CCn1nc(C)c(-c2cn(C[C@H]3COc4ccccc4O3)nn2)c1C 95380968 VVFQRQLKMKRQHI-HNNXBMFYSA-N 351.410 2.784 30 50 FFEA CCC#CCN1C[C@H]2CN(C(=O)COCC)C[C@@]2(CCc2ccccc2)C1 1772708166 DKYBOYAWXFRBEL-JTHBVZDNSA-N 368.521 2.830 30 50 FFEA C#CCCC1(CCC(=O)N[C@H](c2cccc(OC)c2)c2nccn2C)N=N1 2325892017 YNSCEZLWCUSLAK-GOSISDBHSA-N 365.437 2.990 30 50 FFEA C#CCCC1(CCC(=O)N(Cc2ccccn2)[C@H]2CCCNCC2)N=N1 2325901180 WXPJUWOVIHUVSZ-SFHVURJKSA-N 353.470 2.908 30 50 FFEA C#CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 4702365 XQRNTSLWWMAFAG-LDADJPATSA-N 350.349 2.931 30 50 FFEA C/C(O)=N/C(C)(C)c1noc([C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)n1 329590102 NKYAQUYWFHVBMC-LSDHHAIUSA-N 358.398 2.552 30 50 FFEA Cc1csc([C@@H](C)C/N=C(/O)N2CCN(C3CCOCC3)C[C@@H]2C)n1 330234045 SKEOPUGJYZAXTP-ZFWWWQNUSA-N 366.531 2.654 30 50 FFEA Cc1ccc(S(=O)(=O)OC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 68585223 WPYAOABDDALQSO-CQSZACIVSA-N 355.456 2.957 30 50 FFEA in-vitro C=CCc1cc(CN2CCCN(C(=O)[C@H]3CCCO3)CC2)ccc1OC 1772811610 VLPITSFCPOYMGR-HXUWFJFHSA-N 358.482 2.637 30 50 FFEA COc1ccc(N/C(O)=N/S(=O)(=O)c2ccc(C)cc2)cc1OC 2640224 KMIGSHSCLZGSFR-UHFFFAOYSA-N 350.396 2.727 30 50 FFEA C=C(C)[C@@H](O)CC(=O)N1CCc2cc(Br)c(O)cc2[C@H](C)C1 2325784161 DYNFMYFYBVFJBX-ABAIWWIYSA-N 368.271 2.970 30 50 FFEA Cc1cc(=O)n2c3ccccc3n(C[C@H](O)CNc3ccccc3)c2c1C#N 2708650 GEPUSWPXRWLRIL-QGZVFWFLSA-N 372.428 2.907 30 50 FFEA CCOC(=O)N1CCN([C@H](C#CC2(O)CCCC2)c2ccccc2F)CC1 96162672 GAABJJBEKKHYLU-LJQANCHMSA-N 374.456 2.949 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(OC)cc1 6813266 WXMIMTJRGFSWPW-KRWDZBQOSA-N 371.389 2.821 30 50 FFEA N#C[C@@H]1CN(C(=O)NCCc2cc(Cl)ccc2Br)CCO1 130725161 QWVJSDIRXVGWBM-GFCCVEGCSA-N 372.650 2.579 30 50 FFEA CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(C#N)c([N+](=O)[O-])c1 811714872 OVHOTAITCRQCMJ-UHFFFAOYSA-N 352.394 2.939 30 50 FFEA C=CCCS(=O)(=O)N1Cc2cnn(-c3ccncc3)c2CC(C)(C)C1 952892526 DMERZGYFPKKPMY-UHFFFAOYSA-N 360.483 2.558 30 50 FFEA Cn1ccc(N2CCC[C@H](O/N=C/c3ccccc3OC(F)F)C2=O)n1 170642529 CMIODXQMQGKTON-HXJASHHUSA-N 364.352 2.568 30 50 FFEA C#CCCC1(CCC(=O)N2CCC(n3nnc4c3CCCC4)CC2)N=N1 2325886113 QXEVGCUSLTYGDR-UHFFFAOYSA-N 354.458 2.676 30 50 FFEA Cc1nn(CCO)cc1-c1c(C)c([C@@H]2CCOC(C)(C)C2)nc(N)c1C#N 67895286 NEJQWUASBNSGNK-CQSZACIVSA-N 369.469 2.681 30 50 FFEA C=CCN(C)c1nc(COCC)nc2c1CCN(Cc1ccoc1)CC2 72421996 KPKOFHAHDVYMPN-UHFFFAOYSA-N 356.470 2.829 30 50 FFEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)Cc2ccccc2F)cc1 1565512885 COEBXPHIDWIKRY-OALUTQOASA-N 354.381 2.593 30 50 FFEA Cc1cc(C(=O)N2CCCN(C(=O)c3ccccc3C#N)CC2)c(C)o1 1772700838 JCTZMLXYQVUZEZ-UHFFFAOYSA-N 351.406 2.756 30 50 FFEA CN(C)c1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccccc3)S2)cc1 18209214 JNOSHHQFNJELSS-UOBPLZBXSA-N 352.463 2.917 30 50 FFEA CCCSc1ncc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2)cn1 71524438 ITCLBSVSXFXDDK-WCQYABFASA-N 352.467 2.844 30 50 FFEA CO[C@@H]1CCN([C@H]2CCC[C@H]2NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 888076839 LDXBGJJLHXXCFW-QRVBRYPASA-N 353.466 2.613 30 50 FFEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1ccco1)C2 14741548 ZUDXGAWRLFZJKG-OAHLLOKOSA-N 354.454 2.545 30 50 FFEA COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 841933 UOKNMJIFKCIMGP-AWEZNQCLSA-N 372.377 2.695 30 50 FFEA COc1ccc(-c2noc([C@H](C)NC(=O)N3CCC(C#N)CC3)n2)cc1 534592616 CSLKULZVEYMXAB-LBPRGKRZSA-N 355.398 2.751 30 50 FFEA Cc1cc(C)c(C#N)c(N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)n1 1857710034 DZDUTLZXOCXYFK-FPOVZHCZSA-N 369.440 2.502 30 50 FFEA C#CCCC1(CCC(=O)N[C@H](Cc2coc3ccccc23)C(=O)OC)N=N1 2325892796 DYQDUBMTSLQNON-MRXNPFEDSA-N 367.405 2.989 30 50 FFEA N#Cc1cc2n(n1)CCCN(CCC(=O)Nc1nc3ccccc3s1)C2 65383107 GDXGQXSJQAROLL-UHFFFAOYSA-N 366.450 2.599 30 50 FFEA N#Cc1c(-c2cnc(N3CCCC3)nc2)cc(-c2cccc(O)c2)nc1N 67790073 BSQHYCLMDXEZKI-UHFFFAOYSA-N 358.405 2.965 30 50 FFEA CCCOc1c(Cn2ccc3nc(O)c(C#N)cc3c2=O)cccc1OC 67880347 BTEHGSOALZEANG-UHFFFAOYSA-N 365.389 2.819 30 50 FFEA C=CCc1cc(CN2CCC3(CC2)CN(C)CCN3C)cc(OC)c1OC 67773667 ZVIFGUHBNWTDBV-UHFFFAOYSA-N 373.541 2.644 30 50 FFEA CCN1C[C@H](C)N(/C(O)=N/[C@H]2CCO[C@@H]2c2ccnn2C(C)C)C[C@@H]1C 329419507 DZQHLAKXNORHDP-OVWQWFNUSA-N 363.506 2.623 30 50 FFEA Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc4c(c3)n(C)c(=O)n4C)[nH]c12 1875345292 UWJCVZGZESKVPJ-ZDUSSCGKSA-N 359.389 2.552 30 50 FFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)cc1OC 19794903 UJQKNCZYHQEGRJ-SFHVURJKSA-N 357.406 2.845 30 50 FFEA Cc1ccc2nc(N3C[C@@H](C(=O)N4CCC(C#N)CC4)CC3=O)sc2c1 1857726920 FORYFTZCGCLMAP-AWEZNQCLSA-N 368.462 2.720 30 50 FFEA C=CCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 2962228 WWODRRKZMQGXOS-UHFFFAOYSA-N 374.462 2.501 30 50 FFEA Cc1c(N=C(O)N2CC(=O)N(C)[C@@H](C)C2)cccc1OCC(F)(F)F 330387298 VQOWLFJBBOHDPC-JTQLQIEISA-N 359.348 2.644 30 50 FFEA CO[C@@H]1O[C@]23CCC4=CC(=O)CC[C@@]41[C@@H]2CC[C@]1(C)[C@@H]3CC[C@H]1C(=O)CO 257349570 OZBRSASHLPSDOA-DDYZSMPWSA-N 374.477 2.801 30 50 FFEA Cc1ccc(S(=O)(=O)OCCO[C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)cc1 725343408 WEZPGVBMQJKKIA-GASCZTMLSA-N 370.467 2.837 30 50 FFEA Cc1nsc(N2C[C@H]3[C@@H](NC(=O)[C@@H]4CC45CC5)CCC[C@H]3C2)c1C#N 1875405510 HVGUNNZONJWTOR-UKMLZYKCSA-N 356.495 2.844 30 50 FFEA CO[C@H](CC(C)C)CS(=O)(=O)N1CC[C@@H](CC#N)C(F)(F)CC1 2325783861 HVKVFODGMYKEFA-ZIAGYGMSSA-N 352.447 2.638 30 50 FFEA COc1cccc([C@@H]2[C@H](/N=C(/O)[C@H]3CCC(=O)N3C)CCN2C2CC2)c1 329510820 MWBMGUMHYDYTPC-ZHALLVOQSA-N 357.454 2.550 30 50 FFEA C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(-c2cccc(F)c2C#N)c(F)c1 1875384863 XUWQDPSBLIQMJN-SNVBAGLBSA-N 364.373 2.683 30 50 FFEA O=C1N/C(=N\N=C\c2ccccc2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1 18168403 SPRMZDNAEZLFRM-CLXYIWAZSA-N 354.391 2.759 30 50 FFEA C=CCn1c(SCC(=O)Nc2ccccc2O)nnc1-c1cccnc1 9426913 URDDNDYWMXKVPV-UHFFFAOYSA-N 367.434 2.963 30 50 FFEA COc1ccc(OC2CCN(C(=O)c3cnc(O)c(C#N)c3C)CC2)cc1 72479127 BKIAKAQIRDSXGV-UHFFFAOYSA-N 367.405 2.660 30 50 FFEA C=CCOc1cccc(C(=O)NCCc2nc(-c3ccccn3)no2)c1 222327713 BBOHRWRGNKWBEC-UHFFFAOYSA-N 350.378 2.669 30 50 FFEA CC(C)c1ccc(C#N)c(N2C[C@@H]3CN(C4CCCC4)C[C@]3(C(=O)O)C2)n1 96163761 ZALQHKDSDBENEE-KKSFZXQISA-N 368.481 2.842 30 50 FFEA CS[C@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 170640633 CTHTVVJAVGMOFI-CVEARBPZSA-N 366.508 2.778 30 50 FFEA C=CCOc1cc(Cl)c(CN2C[C@@H]3COCC[C@]3(CO)C2)cc1OC 1772712200 PDPKLNRWLCNIFM-DNVCBOLYSA-N 367.873 2.744 30 50 FFEA Cc1cc(C/N=C(/O)N2CCC(C(F)F)CC2)nc(N2CCCC2)n1 330272582 XTERZDRQVCYNAH-UHFFFAOYSA-N 353.417 2.776 30 50 FFEA C#CCCC1(CCC(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)N=N1 952882506 RUJZPFRHMIDCLQ-IBGZPJMESA-N 368.481 2.840 30 50 FFEA COc1ccc(OC)c([C@H]2O[C@@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@H]3C)c1 137508356 AWPUFUSRPAOQJY-JKIJHMCWSA-N 366.377 2.678 30 50 FFEA Cc1cccc(F)c1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 184725440 LAEQMZRFBVXURV-QGZVFWFLSA-N 373.453 2.533 30 50 FFEA O=S(=O)(NC1CC1)c1ccc(N/N=C2\C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)nc1 1875390901 AHLJSRPYYHMZGL-SSHYMRTASA-N 360.483 2.746 30 50 FFEA CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)/N=C1/NCCS1 4008560 BJVRTNTVXIZAOI-BCFZYGEVSA-N 363.527 2.563 30 50 FFEA C=CCNC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 2830800 OLGRIFYHLZUHHA-UHFFFAOYSA-N 372.490 2.797 30 50 FFEA COc1ccc(-c2cc(-c3cnn(C)c3)c(C#N)c(N)n2)c(OC)c1OC 67490125 FPVPBWUOSKTPMA-UHFFFAOYSA-N 365.393 2.629 30 50 FFEA C#CCCC1(CCC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)N=N1 952881538 PTFCWKDPLQWTCS-AWEZNQCLSA-N 360.364 2.542 30 50 FFEA CC1(C)OB(c2cc(Br)nc(N3CCCC3)c2)OC1(C)C 169746216 SMIDMYZEZFDSQJ-UHFFFAOYSA-N 353.069 2.744 30 50 FFEA C#CCCC1(CCC(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CC2)N=N1 2325886332 NDXRGNYRXMWKBT-SFHVURJKSA-N 364.449 2.574 30 50 FFEA CN(Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C[C@@H]1COCCO1 65455813 YYZDUKHAJBDTNW-HXUWFJFHSA-N 365.433 2.658 30 50 FFEA Cc1cnc(S(C)(=O)=O)nc1C(O)=Nc1cc(-c2ccccc2)ns1 328595072 JXUZWQYWSYRASU-UHFFFAOYSA-N 374.447 2.948 30 50 FFEA N#C[C@@H](C(=O)NC1CCCCC1)C(=O)c1cccc(OCC(F)(F)F)n1 123981836 JHEHVMJGOUUBGU-GFCCVEGCSA-N 369.343 2.794 30 50 FFEA C/C=C\C[C@H](C)C[C@H](C)/C(O)=C1/C(=O)N[C@@H]([C@H](O)c2ccc(O)cc2)C1=O 2332924316 IWIISBMWNKBQQH-PESGKYNZSA-N 373.449 2.934 30 50 FFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(O)c1 2896403 OVUAQNIACUUGOR-GOSISDBHSA-N 357.406 2.550 30 50 FFEA Cc1cc(N2CCN(Cc3cccc(C#N)c3)CC2)n2nc(C)c(C)c2n1 72480231 MGWNOQGPPNXOES-UHFFFAOYSA-N 360.465 2.848 30 50 FFEA CC(C)(C)OC(=O)N[C@H]1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 222534134 AQMVOVMGZAZWBT-INIZCTEOSA-N 359.275 2.978 30 50 FFEA C#CCCC1(CCC(=O)N(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)N=N1 2325892201 DREOUXBSWOGKJS-MRXNPFEDSA-N 354.410 2.826 30 50 FFEA Cc1cc(C)n2nc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)nc2n1 2736377 XPEPJWDUJKNIHA-UHFFFAOYSA-N 359.205 2.513 30 50 FFEA CCn1cc(CN2CCN(Cc3cc(C)cc(C)c3)C(=O)C2)cc1C#N 72137242 FGNLIUDIFTZSTG-UHFFFAOYSA-N 350.466 2.841 30 50 FFEA C=CCN1CC[C@@]2(CCC1=O)CN(C/C(C)=C/c1ccco1)CCN2C 91624545 CQFVEGCGVGZCAU-RHYRFBSLSA-N 357.498 2.868 30 50 FFEA Cc1cc(C#N)ccc1S(=O)(=O)N(C)c1cccc(Br)n1 170597345 XNAUCCNIRFYHJK-UHFFFAOYSA-N 366.240 2.849 30 50 FFEA C=CCOC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 4755631 GXCJEBHLKGNKTQ-LFIBNONCSA-N 351.358 2.915 30 50 FFEA Cc1ccsc1[C@@H]1CCN(C(=O)c2ccc(C#CC(C)(C)O)o2)C[C@H]1O 65376020 HPJJDTATKXDMDM-HZPDHXFCSA-N 373.474 2.763 30 50 FFEA C=CCn1cc(CN2CCN(c3cccc(OC)c3)C(=O)[C@H]2C)c(C)n1 55168585 LSXBVVPHEQSRJU-MRXNPFEDSA-N 354.454 2.623 30 50 FFEA C#CCOCCNC(=O)N1CC(C)(C)[C@@H]1c1nccn1Cc1ccccc1 952893048 QYMNBHJLAPCHRS-SFHVURJKSA-N 366.465 2.674 30 50 FFEA COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C\c1cccc([N+](=O)[O-])c1O 25692734 JXOOBZSGYFVSPC-QZPXRHMKSA-N 367.361 2.985 30 50 FFEA CC(=O)N[C@@H]1CCCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 252487203 UMTSAEXKYLAKGG-GDBMZVCRSA-N 374.510 2.620 30 50 FFEA C/N=C1\S/C(=C\c2cn(C(C)=O)nc2-c2ccc(F)cc2)C(=O)N1C 970295 ODSLYKGDVWIJKE-QEEYBCOYSA-N 358.398 2.881 30 50 FFEA C=CCN(CC(C)C)C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71756976 SMXHZUHAXXAQER-QGZVFWFLSA-N 373.497 2.646 30 50 FFEA C[C@@H]1[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@H](c1ccc([N+](=O)[O-])cc1)O2 230017103 BCTAXDDPLMJABR-SWPKTZRSSA-N 351.322 2.569 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)NCCOc2cccc3cccnc23)o1 670451720 UBXJXTGXENQHLV-UHFFFAOYSA-N 364.401 2.759 30 50 FFEA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)C1 1875371059 NONFGLMVRQBZOX-PMACEKPBSA-N 365.477 2.764 30 50 FFEA O=C1C=C(c2ccccc2)C[C@@H](c2ccccc2)[C@@H]1n1nnc([N+](=O)[O-])n1 5006099 AWJFAYCECIVOOU-WMZOPIPTSA-N 361.361 2.963 30 50 FFEA O=C(O)COc1ccccc1/C=N/n1c(S)nnc1C1CCCCC1 1478510 ZPAMCJBQBJYJMO-VCHYOVAHSA-N 360.439 2.960 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(O)c1 4311954 XMQTYHSIIGHGAZ-QGZVFWFLSA-N 353.374 2.617 30 50 FFEA biogenic CN(C)[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 95384491 RLHJBPAXEZQAJU-HXUWFJFHSA-N 366.440 2.649 30 50 FFEA Cc1cc(C)c(C#N)c(N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)n1 1857690122 AVKWCAQJBFGDSM-OAQYLSRUSA-N 362.433 2.824 30 50 FFEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(Cc2cccnc2N)C1 1857725766 LWHLGQLBKDFTMW-MRXNPFEDSA-N 352.438 2.835 30 50 FFEA C#CCCC1(CCNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)N=N1 2325891361 BHRZFRUXTVDYID-OAHLLOKOSA-N 353.401 2.605 30 50 FFEA CCOC(=O)/C(=N/O)C1=NC2(CCCC2)Cc2cc(OC)c(OC)cc21 100206589 MHODLHYYIKJSIX-HEHNFIMWSA-N 360.410 2.755 30 50 FFEA N#CCCn1c(=O)c(C(=O)NCCc2ccccc2)c(O)c2ccccc21 170624791 ZGMUYCJWQWBHNT-UHFFFAOYSA-N 361.401 2.593 30 50 FFEA CC(C)CN1CCCn2nc(CNC(=O)Nc3cccc(C#N)c3)cc2C1 82157695 FDAYVADXTYAFHV-UHFFFAOYSA-N 366.469 2.938 30 50 FFEA COCCCN1CC2(CCC1=O)CCN(c1nc(C)c(C)cc1C#N)CC2 91504231 IFVXPXAXYSLGII-UHFFFAOYSA-N 370.497 2.816 30 50 FFEA CC(C)c1noc([C@@H](NC(=O)c2cccc(C#N)c2)C2CCOCC2)n1 275311768 NSWRPJCIEFWDTO-INIZCTEOSA-N 354.410 2.962 30 50 FFEA C=CCC(O)(CC=C)CNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 12596253 RIFWFYCZPSAIDA-QGZVFWFLSA-N 374.456 2.564 30 50 FFEA CN(CCNC(=O)Cc1cncc2ccccc12)Cc1ccc(C#N)cc1 2325867488 XNEFASYGRUKLIR-UHFFFAOYSA-N 358.445 2.897 30 50 FFEA C=CC[C@]1(NC(=O)C2=C(C)CCC2)CCN(C(=O)/C=C/c2ccnn2C)C1 2325879474 WRDASTAMCWLWCP-SHBDEGQCSA-N 368.481 2.597 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)N=N1 2325892705 XYGCITZQZVWRLK-UHFFFAOYSA-N 374.466 2.829 30 50 FFEA C=CCN(Cc1cccc(OC)c1)C(=O)c1cc(-c2cnn(C)c2C)[nH]n1 55368737 XGSOJRBAUAAWRL-UHFFFAOYSA-N 365.437 2.956 30 50 FFEA CC1=C(CCN2CCN(c3ncc(C#N)c(N)n3)CC2)C(C)(C)CCC1 65380802 SMEIKIOQLNLFEW-UHFFFAOYSA-N 354.502 2.969 30 50 FFEA CC[C@@H](C)n1ncc(N=C(O)N[C@@H]2CS(=O)(=O)c3ccccc32)c1C 330122021 JZMYODOAVRMCGW-IAQYHMDHSA-N 362.455 2.826 30 50 FFEA CC(=O)N1CCN(c2cccc(C/N=C(/O)OC(C)(C)C)c2F)CC1 328578662 RVHSKUIHYDDXLZ-UHFFFAOYSA-N 351.422 2.723 30 50 FFEA N#C[C@@H]1C(=O)N=C(Nc2ccccc2)NC12CCN(Cc1ccccc1)CC2 16626334 OENRGXCESPRYLW-LJQANCHMSA-N 373.460 2.759 30 50 FFEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(Br)c1C 169978558 KZIROWUEKIPSJL-UHFFFAOYSA-N 355.037 2.843 30 50 FFEA N#Cc1c(N2CCC[C@H](n3ccnn3)C2)nc2c(c1C#N)CCCCCC2 333398704 FFWZRUXXBZHWNB-HNNXBMFYSA-N 361.453 2.917 30 50 FFEA CN(C)Cc1cc(O[C@H]2CCN(CCOc3cccc(C#N)c3)C2)ccn1 886068723 LKNDRKPUMLMHTL-NRFANRHFSA-N 366.465 2.547 30 50 FFEA Cc1ccc(CN2CCN(/N=C/c3ccccc3OCC(=O)O)CC2)cc1 5504448 LRCNPZXHKIAXCG-HYARGMPZSA-N 367.449 2.610 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc(OC3CCN(C)CC3)nc2)N=N1 2325892732 ZNEJEVHDGWDLFR-UHFFFAOYSA-N 355.442 2.849 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H](C(=O)O)c2c(F)cc(OC)cc2F)N=N1 2325901160 WFTVZSNVUIRQGB-OAHLLOKOSA-N 365.336 2.571 30 50 FFEA COc1cc(OC)c(/C=N/n2c(S)nnc2-c2ccncc2)c(OC)c1 6004271 HRYWAQRITOWPMZ-VXLYETTFSA-N 371.422 2.537 30 50 FFEA N#Cc1cccc(-c2cnc(CNC(=O)c3cc(F)c(O)c(F)c3)[nH]2)c1 371998769 MFJCAHQNZJXFCK-UHFFFAOYSA-N 354.316 2.862 30 50 FFEA N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CC34CCOCC4)CC2)c(F)c1 333966073 QQFPSMHDOJGRPJ-GOSISDBHSA-N 357.429 2.599 30 50 FFEA CC1(C)O[S@@](=O)O[C@H]1COc1c2ccoc2cc2oc(=O)ccc12 2049252062 ILWHZPBGKDWLME-RZFZLAGVSA-N 350.348 2.691 30 50 FFEA CC(C)(O)C#Cc1ccc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)cc1 104364096 CUJJEJIKUSSUIX-OAQYLSRUSA-N 372.553 2.724 30 50 FFEA COc1cccc2c1OCCCN(C(=O)c1ccc(C#CC(C)(C)O)o1)C2 65397375 BTCPFLKZQRICMX-UHFFFAOYSA-N 369.417 2.836 30 50 FFEA N#Cc1ccsc1C(=O)N1CCC[C@@H](Cc2nnc3ccccn23)C1 370695628 BWJRHEKDHFVOFW-ZDUSSCGKSA-N 351.435 2.757 30 50 FFEA CCc1nn(C)c(Cl)c1-c1c(C#N)c(N)nc2c1[C@H]1CC[C@@H](C2)N1C 71764810 XVCTWROPDCIKAI-TVQRCGJNSA-N 356.861 2.843 30 50 FFEA C#CCCC1(CCC(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)O)N=N1 952876217 HAJUFJVOZPGAOZ-MRXNPFEDSA-N 370.384 2.775 30 50 FFEA N#CCN1CCc2ccc(NS(=O)(=O)c3cc(Cl)ccc3O)cc21 2325866154 BTVNUVSZKKKQLU-UHFFFAOYSA-N 363.826 2.732 30 50 FFEA O=C1C=C[C@@H](Nc2cccc([N+](=O)[O-])c2)[C@H]1Nc1cccc([N+](=O)[O-])c1 1588916 JWGRDMALPJVFAG-NVXWUHKLSA-N 354.322 2.903 30 50 FFEA C=C(C)COc1cccc(NC(=O)N2CCN(CC3CC3)[C@H](CCO)C2)c1 299760897 RSGPPCAOGLXZJU-LJQANCHMSA-N 373.497 2.952 30 50 FFEA N#CC1(NC(=O)CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)CCCCC1 275548283 DHFGOUMFYSLVBU-KRWDZBQOSA-N 355.486 2.768 30 50 FFEA Cc1nc(N2CCC(c3nc(C(C)C)no3)CC2)c(C#N)cc1C(=O)O 1529101623 IWCOUGVYONMBRL-UHFFFAOYSA-N 355.398 2.850 30 50 FFEA O=S(=O)(N/N=C\c1cccc(O)c1O)c1cc(Cl)ccc1Cl 17074369 QBPBKKQOXMHPRH-APSNUPSMSA-N 361.206 2.717 30 50 FFEA CN(C(=O)OC(C)(C)C)[C@@H](CN=c1cc[nH]c(C#N)n1)Cc1ccccc1 871073650 HUZZFFXZKADIHM-MRXNPFEDSA-N 367.453 2.660 30 50 FFEA Cc1nccc(CN2CCC[C@H](Nc3c(F)cc(C#N)cc3F)C2=O)n1 373393709 PXRYKXVGIHBSJV-INIZCTEOSA-N 357.364 2.538 30 50 FFEA C=CCON1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 216190498 OUJMQUZNSJGMOH-CGNYCVOOSA-N 357.020 2.767 30 50 FFEA C#CCCC1(CCC(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)N=N1 1875381934 LMPWHXZHQIQAEJ-INIZCTEOSA-N 353.426 2.765 30 50 FFEA Cc1cc(C)c(S(=O)(=O)NN=C2CCC3(CC2)OCCO3)c(C)c1 40456597 USQCRRQVCMGNMM-UHFFFAOYSA-N 352.456 2.563 30 50 FFEA in-vitro COc1cc(N/C(O)=N/S(=O)(=O)c2ccc(C)cc2)cc(OC)c1 2807432 LXBPXTWQWUEGEN-UHFFFAOYSA-N 350.396 2.727 30 50 FFEA CO[C@H](CC(C)C)CS(=O)(=O)N1CC[C@H](CC#N)C(F)(F)CC1 2325783860 HVKVFODGMYKEFA-UONOGXRCSA-N 352.447 2.638 30 50 FFEA Cc1nc(C)nc(N/N=C/c2cccc(I)c2)n1 4949113 DMPVCCMHJOVSDU-VGOFMYFVSA-N 353.167 2.539 30 50 FFEA N=C(O)c1cnn2c1C[C@@H](C/N=C(/O)c1ccc(OCC3CC3)nc1)CC2 328603519 GHQAWFWFCXWYGS-ZDUSSCGKSA-N 369.425 2.517 30 50 FFEA N#Cc1ccccc1N1CCN(C(=O)CCc2ccc(F)c(F)c2)CC1=O 82087553 XMYJOUXLDLNJEY-UHFFFAOYSA-N 369.371 2.644 30 50 FFEA N#Cc1cccnc1N1CCN(C(=O)Nc2ccnn2C2CCCC2)CC1 96132563 OWNKHBNTGAHVEB-UHFFFAOYSA-N 365.441 2.619 30 50 FFEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)NCc3ccccc3N)o2)cc1 826802921 NFVVETCXEXELAL-UHFFFAOYSA-N 368.418 2.582 30 50 FFEA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)c1 1875269547 OUJLGAGZBXFOIJ-XLIONFOSSA-N 353.422 2.879 30 50 FFEA Cc1cc(F)cc2c(N3CCC(C)(C)S(=O)(=O)CC3)c(C#N)cnc12 278470057 NPQZLYVKXFMKQI-UHFFFAOYSA-N 361.442 2.958 30 50 FFEA C=CCNC(=O)[C@H]1CCCC[C@H]1C(=O)NCCC1CCN(CCC)CC1 208433990 XZPUDRGYMNUOMG-RBUKOAKNSA-N 363.546 2.723 30 50 FFEA CN(Cc1cccc2ncccc12)C(=O)NCCNc1ncccc1C#N 2325854239 UEIDEXJGQZAQIL-UHFFFAOYSA-N 360.421 2.755 30 50 FFEA C=CCOC(=O)CCP(=O)(CCC(=O)OCC=C)c1ccccc1 3956860 HBTKPLIKQTZJSH-UHFFFAOYSA-N 350.351 2.914 30 50 FFEA Cc1ccc(N2CCC[C@@H](/N=C(/O)Cc3ccc4c(c3)CCO4)C2)nn1 329549251 CLEYNADPYMRBQZ-QGZVFWFLSA-N 352.438 2.888 30 50 FFEA C=CCNC(=O)NC[C@H]1C[C@@](C)(CO)N(CC)[C@H]1c1ccc(Cl)cc1 584898108 OQBFDVMZEQAWDW-AYBZRNKSSA-N 365.905 2.959 30 50 FFEA N#Cc1cc2c(nc1NC[C@@H]1CCO[C@@H]1c1nc(C3CC3)no1)CCC2 888076718 NUESEMCBLPDWEA-BBRMVZONSA-N 351.410 2.892 30 50 FFEA N#Cc1cccnc1N1CCN(Cc2cc(CN3CCCC3)cs2)CC1 220432613 OMASTLIZQTXTLZ-UHFFFAOYSA-N 367.522 2.933 30 50 FFEA N#Cc1ccccc1CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1 82137570 LUEOBWGEAXFKHL-UHFFFAOYSA-N 363.465 2.577 30 50 FFEA COc1ccc(CCN2CC(=O)C(c3nc(C)c(C)s3)=C2N)cc1OC 13689757 HDFJGRUVOQCTJU-UHFFFAOYSA-N 373.478 2.532 30 50 FFEA COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C\c1cccc([N+](=O)[O-])c1O 25692730 JXOOBZSGYFVSPC-LIQPLZLLSA-N 367.361 2.985 30 50 FFEA Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)c1ccc(-n2cnnc2)cc1 67725983 BOOPIILDBKVTCF-UHFFFAOYSA-N 370.416 2.901 30 50 FFEA CC[C@H](OC1CCCCC1)C(=O)NS(=O)(=O)c1cccc(F)c1C#N 160068996 PHPGFPMHYZKQTK-HNNXBMFYSA-N 368.430 2.630 30 50 FFEA Cc1c(C(=O)N(C)C)sc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)c1C#N 2764100 KYODFJCBBUFRCZ-GQCTYLIASA-N 374.378 2.783 30 50 FFEA C=CCN(C(=O)c1cc(C)nc2cc(C)ccc12)[C@H]1CCS(=O)(=O)C1 55359653 BWHOCYWVVRUXLU-HNNXBMFYSA-N 358.463 2.667 30 50 FFEA Cn1nccc1CC/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328626351 LPLPBMHLTZJQNA-NSHDSACASA-N 355.364 2.787 30 50 FFEA Cc1nc(C)c(N=C(O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)s1 328628148 NKDVVZWESNPCBA-LLVKDONJSA-N 351.432 2.885 30 50 FFEA N#Cc1ccccc1N1CCN(C(=O)NC[C@H]2[C@H]3c4ccccc4C[C@H]32)CC1 123304019 ODTJIOLUSBKPSX-VWPQPMDRSA-N 372.472 2.976 30 50 FFEA C=CCN(CC=C)C(=O)c1sc2ncnc(NCCN(C)C)c2c1C 299799813 TUBZQNRQJFPIOI-UHFFFAOYSA-N 359.499 2.787 30 50 FFEA COc1ccc2nc(N[C@@H]3C[C@H](Cn4cccn4)C[C@H]3O)c(C#N)cc2c1 1875398830 GJZNRBXZDNWMOD-MJXNMMHHSA-N 363.421 2.563 30 50 FFEA Cc1ccc([C@]23C[C@@H]2CN(C(=O)C(=O)N2CCC[C@@](C)(CC#N)C2)C3)cc1 2325807337 SHVXESCCMOQELZ-BVYCBKJFSA-N 365.477 2.637 30 50 FFEA C#CCCC1(CCC(=O)N[C@H](CN2CCOCC2)c2ccccc2C)N=N1 2325900452 ZIQKPBLVKXCBNP-LJQANCHMSA-N 368.481 2.840 30 50 FFEA N#Cc1cc2cccnc2nc1N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O 1875398774 DVCBYIQGHKZEHI-HFBAOOFYSA-N 368.828 2.603 30 50 FFEA CCn1ccnc(N2CCC(/N=C(/O)c3cccnc3C3CC3)CC2)c1=O 330138661 OLULNFOKIIOAAW-UHFFFAOYSA-N 367.453 2.509 30 50 FFEA O=C(c1cccs1)N1CCN(/C(O)=N/[C@@H]2CCc3ccccc3C2)CC1 328844482 WVMNMHRAYBKYLH-QGZVFWFLSA-N 369.490 2.977 30 50 FFEA N#Cc1cccc(-c2cccc(C(=O)NCCCN3CCC[C@@H](O)C3)c2)c1 426443087 WWISNVVIGDZCFS-OAQYLSRUSA-N 363.461 2.802 30 50 FFEA C#Cc1cc(F)c(NCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)c(F)c1 170616341 XLMUGAWLOGIKBJ-UHFFFAOYSA-N 371.387 2.764 30 50 FFEA N#Cc1ccc(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)cc1F 291877117 MIONEQGHHWZRSE-UHFFFAOYSA-N 367.427 2.849 30 50 FFEA C=CCO[C@@H]1[C@H](OC)O[C@H](COCc2ccccc2)[C@@H]2OC(C)(C)O[C@H]21 257358479 URZWLLVLOQIALO-MTHXSQLBSA-N 364.438 2.666 30 50 FFEA C=CCNCc1ccc(OC[C@@H](O)CN(C)C2CCCCC2)c(OC)c1 12090389 WYMRBIBPXAHLLP-IBGZPJMESA-N 362.514 2.975 30 50 FFEA N=C(N/N=C/c1ccccc1F)S[C@H]1CC(=O)N(c2ccccc2)C1=O 6111971 NPYHIYQCSSIWJM-FPQGOQEYSA-N 370.409 2.749 30 50 FFEA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1ccc(C#N)nc1)CC2 1857727630 VUSXQKXSYUATEU-UHFFFAOYSA-N 357.417 2.595 30 50 FFEA CCOC(=O)c1nc([C@@H](C#N)c2nc3ccccc3n2C)ncc1Cl 642521 RJAYVDFUESYFCN-SNVBAGLBSA-N 355.785 2.849 30 50 FFEA COC(=O)c1cc(OC)c(OC)cc1NC=C1C(=O)CC(C)(C)CC1=O 100593772 HIFOLSOHPFEXTP-UHFFFAOYSA-N 361.394 2.744 30 50 FFEA COc1ccc(F)cc1[C@H](NC(=O)c1cccc(C#N)c1)[C@H]1C[C@H](O)C1 244716328 LNDBSGRTFDKVQC-IDHHARJASA-N 354.381 2.948 30 50 FFEA C#CCCC1(CCNC(=O)[C@@H]2CCCN(C(=O)c3oc(C)cc3C)C2)N=N1 1875387325 BUWKPQMGKUSUMW-MRXNPFEDSA-N 370.453 2.830 30 50 FFEA Cc1ccc(CC(=O)N[C@H]2CCN(c3ccncc3C#N)C[C@H]2C)s1 1875338705 ILFZQKOGUNQGKY-DYVFJYSZSA-N 354.479 2.897 30 50 FFEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(c2ccccc2OC)CC1 281812797 NXLBRYWMJRAWJM-VQIMIIECSA-N 359.470 2.508 30 50 FFEA COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2nccs2)cc1OC 1296929 QDIPGMQFFOKSDB-CQSZACIVSA-N 360.391 2.649 30 50 FFEA COCCCN1C[C@@]2(CCCN(c3nc(C)cc(C)c3C#N)C2)CCC1=O 72474339 PRQKTVGRIOYXJC-OAQYLSRUSA-N 370.497 2.816 30 50 FFEA COC(=O)c1n[nH]cc1-c1cc(-c2cc3ccccn3c2)nc(N)c1C#N 71749697 DOBPPCUDAUOMNW-UHFFFAOYSA-N 358.361 2.632 30 50 FFEA N#C[C@@H]1CCCN(C(=O)NCC2CCN(CCc3ccccc3)CC2)C1 426746120 PPUPKKHALCADLL-FQEVSTJZSA-N 354.498 2.886 30 50 FFEA C=CCOc1ccc(Cl)cc1CN1CCCN(CC(=O)N(C)C)CC1 952961340 FEDZSYZRJQMPAH-UHFFFAOYSA-N 365.905 2.501 30 50 FFEA Cc1cc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)nc(C(F)(F)F)n1 188378646 VHOVDEWBKLABIN-UHFFFAOYSA-N 352.320 2.879 30 50 FFEA C/C(=N/NS(=O)(=O)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 1218252 NGTLLWASVUTDBQ-MOSHPQCFSA-N 357.435 2.738 30 50 FFEA C=CCN(Cc1ccccn1)C(=O)C1=C(C)NC(=O)N[C@H]1c1cccs1 67654617 AGEAMAVNIYBLIS-KRWDZBQOSA-N 368.462 2.986 30 50 FFEA C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)CC)c(OC)c2)C(=O)NC1=S 1154679 HAIOJKTTZGAVPL-LQELWAHVSA-N 374.462 2.685 30 50 FFEA C=CCN1C(=O)/C(=C2\SC(=S)N(CCCOC)C2=O)c2ccccc21 2282613 FYIZLWHECSJHCY-PFONDFGASA-N 374.487 2.827 30 50 FFEA C=CCc1cc(CN2CCCN(C(=O)[C@@H]3CCCO3)CC2)ccc1OC 1772811609 VLPITSFCPOYMGR-FQEVSTJZSA-N 358.482 2.637 30 50 FFEA O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccc2ccccc2c1 2841597 VWWGLAITSUOXNS-UHFFFAOYSA-N 353.355 2.756 30 50 FFEA Cc1cc(N=C(O)CN(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)on1 328631566 KQKXMDFMNMUAOC-NSHDSACASA-N 371.363 2.981 30 50 FFEA N#C[C@H]1CC[C@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 278654032 QAEMWQLCYUOGSZ-LPHOPBHVSA-N 369.490 2.838 30 50 FFEA C=CCC(=O)N(CCOC)CC1CCN(Cc2ccccc2OC)CC1 11998583 QEOJTBRMERRVRP-UHFFFAOYSA-N 360.498 2.958 30 50 FFEA O=C1Nc2ccccc2/C1=N/N=c1/[nH]c(-c2ccc([N+](=O)[O-])cc2)cs1 4333634 OYRZCXQOBIBEQT-UHFFFAOYSA-N 365.374 2.909 30 50 FFEA CC(C)(C)OC(=O)NC1CC(C#CC(=O)N2CCc3ccccc3CC2)C1 2325790027 GQSOSAWLCRCPRL-UHFFFAOYSA-N 368.477 2.921 30 50 FFEA C#CCCC1(CCC(=O)NCc2nnnn2-c2cccc3ccccc23)N=N1 2325892926 SFNPDMSLIASLAQ-UHFFFAOYSA-N 373.420 2.787 30 50 FFEA CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)ccc1O 3901626 JJGKIXYIDRMXEM-GOSISDBHSA-N 357.406 2.932 30 50 FFEA N=C(N/N=C/c1ccccc1F)S[C@@H]1CC(=O)N(c2ccccc2)C1=O 100331480 NPYHIYQCSSIWJM-UGVMZYNRSA-N 370.409 2.749 30 50 FFEA C=CCn1c(S)nc2cc(C(=O)NCC3(C4CC4)CC3)ccc2c1=O 119068338 GEFZIUSFGUMDIF-UHFFFAOYSA-N 355.463 2.791 30 50 FFEA Cc1c(Cl)cnc(NC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)c1C#N 886043495 UIHZYHISKSLLCM-GUYCJALGSA-N 355.829 2.942 30 50 FFEA COc1ccc(CC(=O)N2CCCN(Cc3cccc(C#N)c3)CC2)cc1 1772710505 ATMMBWVFKHHTJK-UHFFFAOYSA-N 363.461 2.844 30 50 FFEA CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(C#N)cc1 5490065 NRPRLQDRXRBNQR-AWEZNQCLSA-N 364.430 2.928 30 50 FFEA Cn1cc(C#N)cc1C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 331780109 HQMPTWWXEAXEKP-NSHDSACASA-N 351.332 2.658 30 50 FFEA C[C@H]1[C@H](C)C[C@@H]2C(=O)C=C3OCO[C@]34Oc3cc5c(cc3[C@H]1[C@@H]24)OCO5 257426754 GMTJIWUFFXGFHH-VYGPFSLXSA-N 356.374 2.967 30 50 FFEA biogenic C#CCCC1(CCC(=O)N2C[C@@H](Oc3ccccc3)C[C@H]2C(=O)OC)N=N1 2325892850 KFTBLZWFBUHZQC-IRXDYDNUSA-N 369.421 2.564 30 50 FFEA C=CCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 2987637 PSKVIPYUOCZNBU-UHFFFAOYSA-N 374.462 2.501 30 50 FFEA N#Cc1cccnc1N1CCC(Cn2cc([C@H](O)c3ccccc3)nn2)CC1 23339276 JFVCFPDFNULBJP-HXUWFJFHSA-N 374.448 2.543 30 50 FFEA OC1=N[C@@H]2CCCC[C@@H]2N(/C(O)=N/Cc2cccc(-n3ccnc3)c2)C1 330268063 AQYZWLHJZIOFMG-SJORKVTESA-N 353.426 2.870 30 50 FFEA C#CC1(OC[C@@H](O)CN2CCN(c3ccccc3F)CC2)CCCCC1 12342641 UXUBEUMTKHWTPC-SFHVURJKSA-N 360.473 2.661 30 50 FFEA C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCCSC)C2 14534509 CDSLEGNKZCUTOR-HNNXBMFYSA-N 362.543 2.505 30 50 FFEA C=CCN(Cc1ccc(S(=O)(=O)NC)cc1)Cc1cccc(OC)c1 55090298 QZFDXZPGDQXIBB-UHFFFAOYSA-N 360.479 2.792 30 50 FFEA NS(=O)(=O)c1ccc(CC/N=C/c2ccc(Br)cc2)cc1 100725750 ZAWMAAMAOMLJMZ-WOJGMQOQSA-N 367.268 2.758 30 50 FFEA O=C(CC[C@@H]1CCCN(Cc2ccc(C#CCCO)cc2)C1)NC1CC1 12304068 RSRNWPYOMJIYOG-IBGZPJMESA-N 354.494 2.691 30 50 FFEA COc1cc([C@H]2NC(=S)NC(C)=C2C(C)=O)c(Br)cc1O 6857152 HAWOITWGGZUMKS-CYBMUJFWSA-N 371.256 2.545 30 50 FFEA CC(C)N1CCC(CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1 95357904 PYCDZVWTNDNZSF-UHFFFAOYSA-N 354.498 2.717 30 50 FFEA COc1ccc(-c2nnc(S)n2N=Cc2cccc(OC)c2O)cc1 245253728 LWDZORXBJGJVBW-UHFFFAOYSA-N 356.407 2.839 30 50 FFEA C=CCC1(C(=O)N[C@H](C)C2(O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1875297189 FWDPBSHOGVZHJC-CQSZACIVSA-N 352.475 2.609 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H](c2ccccc2OC)c2nccn2C)N=N1 2325891933 KBKJMUMYYHPJOW-SFHVURJKSA-N 365.437 2.990 30 50 FFEA CC(=O)N1CCC[C@H](C/N=C(/O)N2CCC(OC3CCCCC3)CC2)C1 330025293 KKFSWJNFQYKUEK-QGZVFWFLSA-N 365.518 2.973 30 50 FFEA CC1(C)Cc2c(cnn2-c2ccncc2)CN(C(=O)c2ccc(C#N)[nH]2)C1 952892227 LTQMJOLLPZIFLN-UHFFFAOYSA-N 360.421 2.692 30 50 FFEA C#CCOc1ccc(Br)cc1/C=C1\NC(=S)N(CC)C1=O 3004396 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244748862 OPUJTEZXUCWBLC-KHYOSLBOSA-N 354.381 2.948 30 50 FFEA COc1cc(/C=N\N2CCN(c3ccccc3)CC2)cc(OC)c1OC 16901439 VPGSKONKYLSBGZ-QNGOZBTKSA-N 355.438 2.869 30 50 FFEA CC(C)(C)C(=O)NC[C@H]1[C@H]2CN(Cc3ccccc3C#N)C[C@]23CC[C@H]1O3 1857724477 XRFPEYDJRVTTLA-JZJXAQOMSA-N 367.493 2.700 30 50 FFEA CN(C)c1ccc(N[C@@H]2CCCN(C(=O)c3ccc(C#N)cn3)CC2)cn1 328630517 JKQDXPHFMNDWMQ-MRXNPFEDSA-N 364.453 2.521 30 50 FFEA CN(C)C[C@H]1COCCN(C(=O)c2cccc(-c3ccccc3C#N)c2)C1 426621532 BLLFIAXKLRIOIY-QGZVFWFLSA-N 363.461 2.875 30 50 FFEA COc1ccc(CC(=O)NC[C@H]2CCCN(c3ncccc3C#N)C2)cc1 95510044 JYLIVFCCCJGSPM-QGZVFWFLSA-N 364.449 2.537 30 50 FFEA Cc1ccccc1N1CC[C@@H](CNC(=O)c2ccc(C#CC(C)(C)O)o2)C1 670457475 WZJTUJSMZFKVNP-KRWDZBQOSA-N 366.461 2.967 30 50 FFEA COc1cc(CN[C@@H]2CC[C@H](C(F)(F)F)N(C(C)=O)C2)ccc1C#N 886060577 NNOYUFHDSWAGKQ-GDBMZVCRSA-N 355.360 2.598 30 50 FFEA C[C@]1(CO)COCCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 2325801166 ZKAFRHLJYCBBKI-NRFANRHFSA-N 366.417 2.822 30 50 FFEA C=CCOc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OC 2974857 YWPUCGCACQQFOQ-FOWTUZBSSA-N 350.374 2.721 30 50 FFEA Cc1cc2c(cc1CN1CC(=O)N(c3ccccc3C#N)C[C@H]1C)OCO2 82099083 HYOIOYJZBWVDBT-OAHLLOKOSA-N 363.417 2.833 30 50 FFEA COc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C(F)(F)F)cc1 180744716 FXFKXTSYECCSTL-CQSZACIVSA-N 371.340 2.544 30 50 FFEA C=CCN1CC[C@H](CNC(=O)N2CCC(Oc3ccccc3OC)CC2)C1 584900817 MNDGPEINSDTINB-QGZVFWFLSA-N 373.497 2.756 30 50 FFEA CNc1cc(-n2nc(C)cc2NC(=O)[C@@]2(C#N)CC3CCC2CC3)ncn1 1875352707 AVORTEMGTKZDEJ-SVGDTCPJSA-N 365.441 2.671 30 50 FFEA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)C1 1875371061 NONFGLMVRQBZOX-VQTJNVASSA-N 365.477 2.764 30 50 FFEA C=CCN(Cc1ccc(C)s1)C(=O)c1cc(S(N)(=O)=O)ccc1F 55413273 QDPHGYPGAZJWKL-UHFFFAOYSA-N 368.455 2.671 30 50 FFEA N#Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2F)CC1=O 82120856 HAQLCIAKYIHSCQ-UHFFFAOYSA-N 357.772 2.840 30 50 FFEA Cc1noc([C@H]2CCCCN2C(=O)c2cccc(C#CC(C)(C)O)c2)n1 952980218 WJTRQSUWDFHTEM-QGZVFWFLSA-N 353.422 2.868 30 50 FFEA COc1cc(-c2nnc(S)n2/N=C/c2ccccn2)cc(OC)c1OC 5558425 DEKKJZACEOZQEQ-VXLYETTFSA-N 371.422 2.537 30 50 FFEA Cc1nn(C)c(C)c1N=C(O)[C@@H](C)Oc1ccc2c(c1)CCCNC2=O 329136871 RFHZYBQXNSKVRD-CYBMUJFWSA-N 356.426 2.768 30 50 FFEA CNC(=O)Cc1nc(-c2ccc(C#N)cc2)cc(-c2ccccc2OC)n1 823825677 JMVLQNVSGQNRPE-UHFFFAOYSA-N 358.401 2.979 30 50 FFEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2ccncc2Cl)cc1 1565508435 VREZCYQLGPNNEI-IRXDYDNUSA-N 357.797 2.573 30 50 FFEA N#Cc1c(F)cc(CNC(=O)Cc2ccc3c(c2)CCC(=O)N3)cc1F 2325868556 AYSUNOAKZMTBGM-UHFFFAOYSA-N 355.344 2.580 30 50 FFEA O=C(NCCCn1ccnc1)c1ccc(C#CC2(O)CCCCC2)cc1 2500489 NYVXLJUXLNAZOK-UHFFFAOYSA-N 351.450 2.750 30 50 FFEA COc1nccc(N2CCN(c3nc4ccccc4s3)CC2)c1C#N 77504636 HMJSAFWSNKIBDP-UHFFFAOYSA-N 351.435 2.898 30 50 FFEA COc1ccc(F)cc1C(=O)N1CC(=O)N(c2ccc(C#N)cc2)C[C@H]1C 82133486 JXLLPLQAGGVNCP-CYBMUJFWSA-N 367.380 2.583 30 50 FFEA C=CCC(O)(CC=C)[C@H](C)NC(=O)c1cc(COc2ccc(C)nc2)on1 12448033 AIAAUEMDYHDXSK-HNNXBMFYSA-N 371.437 2.959 30 50 FFEA COc1ccc(N(CCC#N)S(=O)(=O)c2cccc3nsnc23)cc1 2229807 QDQAPQZFEYIAIE-UHFFFAOYSA-N 374.447 2.809 30 50 FFEA N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 1390012 MSTHKFJVXOKZPE-UHFFFAOYSA-N 361.854 2.723 30 50 FFEA N#Cc1ccc(C(=O)N2CCC(Oc3ccccc3)(C(=O)O)CC2)cc1 72457965 ZJRJZRRURDVRFE-UHFFFAOYSA-N 350.374 2.697 30 50 FFEA C=C(C)COc1ccccc1C(=O)N1CCCn2nc([C@@H](C)O)cc2C1 216964626 OWJCHVFQZDVSBV-OAHLLOKOSA-N 355.438 2.937 30 50 FFEA Cc1ccn2cc(CN3CC(=O)N(c4ccccc4C#N)C[C@H]3C)nc2c1 426618630 ZOGZZZLRDDIYHN-MRXNPFEDSA-N 359.433 2.752 30 50 FFEA O=C1COc2ccccc2N1CCC(O)=Nc1cccc2c1CN=C2O 328587024 APDUUNZIKXSHIM-UHFFFAOYSA-N 351.362 2.909 30 50 FFEA N#Cc1cccc(C(=O)N2CCC[C@]23CCCN(Cc2ccccn2)C3=O)c1 2356138707 FTXRRIWHCGUYRT-QFIPXVFZSA-N 374.444 2.751 30 50 FFEA COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)c1ccccc1 211610011 QAZWXZDTIXPKRL-UHFFFAOYSA-N 354.215 2.642 30 50 FFEA C#CCCC1(CCC(=O)NC[C@H](c2ccccc2)N2CCOCC2)N=N1 952882410 QQJHTQDBXDPWGL-GOSISDBHSA-N 354.454 2.532 30 50 FFEA CCOC(=O)c1ccc2c(c1)N(C(=O)c1ccc(C#N)cc1OC)CCO2 904893507 CELRYQUYWAKDJS-UHFFFAOYSA-N 366.373 2.783 30 50 FFEA C#CCN(OCc1ccccc1)C(=O)c1cc(N)nc(Br)c1 2325854355 ZJGNUOFKHFPULA-UHFFFAOYSA-N 360.211 2.634 30 50 FFEA Cc1cc(/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cc(O)n1 328616797 CBDXYLMIRWWJBN-JTQLQIEISA-N 354.332 2.878 30 50 FFEA N#Cc1cc(F)ccc1CN1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 375791066 NUAKEEHVGMPPRC-ZWKOTPCHSA-N 361.417 2.567 30 50 FFEA N#Cc1ccc(N2CCN([C@@H]3CCc4ccccc4NC3=O)CC2)c(F)c1 191980562 UUQCMKAAWBBCFT-HXUWFJFHSA-N 364.424 2.773 30 50 FFEA CN(C)c1ccc(/C=N/OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 2565188 IELRUYPBNSEOKD-LICLKQGHSA-N 358.310 2.760 30 50 FFEA C=C[C@@](C)(O)CCC[C@@H](C)C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 2325806945 PRBLPDJGYZPZQB-SJLPKXTDSA-N 371.543 2.690 30 50 FFEA Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1432528 QKPMKHQUVCRJOC-SECBINFHSA-N 359.411 2.796 30 50 FFEA Cc1ccc(N2CCC[C@@H](N/C(O)=N/Cc3ncc(C(C)(C)C)o3)C2)nn1 329273617 JBJKNOMXOBULKQ-CQSZACIVSA-N 372.473 2.743 30 50 FFEA N#Cc1ccc(N2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)nc1 72480493 DOHPWVNISZLFPW-OAQYLSRUSA-N 361.449 2.757 30 50 FFEA C=CCOc1ccc(CN2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)cc1Cl 1529126399 ISZUTIPLCKMMOS-CRAIPNDOSA-N 361.873 2.972 30 50 FFEA COc1cc(C=C2Oc3cc(O)ccc3C2=O)ccc1OCCC(=O)O 1857531161 IXWUQPLWKJBFJG-UHFFFAOYSA-N 356.330 2.871 30 50 FFEA Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2nnn(-c3ccccc3)c2C)c1 918487102 JVHHPLVZAGPWAK-KRWDZBQOSA-N 359.389 2.845 30 50 FFEA CC(=O)C1=C(O)C(=O)N(c2ccc(OCC(=O)O)cc2)[C@H]1c1ccccc1 4576381 CJQVDNYZDSSPEY-SFHVURJKSA-N 367.357 2.639 30 50 FFEA CCN1CCC[C@@H](CN(C)c2nnc(C)c(C)c2C#N)[C@@H]1c1cnn(C)c1 328630394 PUASNSHIQUPGFY-QFBILLFUSA-N 367.501 2.608 30 50 FFEA C[C@@H](CNC(=O)C1CCN(c2ccc(C#N)cn2)CC1)CC(F)(F)F 1875265970 OAIGXXPWGANBBI-GFCCVEGCSA-N 354.376 2.874 30 50 FFEA CCN1CCC[C@@H](CN(C)C(O)=Nc2ccccn2)[C@@H]1c1cnn(C)c1 328620960 HMLDXEFXMROULA-MAUKXSAKSA-N 356.474 2.766 30 50 FFEA Cn1nc(B2OC(C)(C)C(C)(C)O2)c(Br)c1C(F)(F)F 307440530 XVLKUQRAYQSNKX-UHFFFAOYSA-N 354.963 2.501 30 50 FFEA C=CCNc1ccccc1C(=O)N(Cc1ccncc1)C[C@@H]1CCC(=O)N1 55392882 AZQYWLHWIDVMTF-KRWDZBQOSA-N 364.449 2.601 30 50 FFEA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)/C(O)=N/Cc1ccco1 328649309 UXVYBTIRRICFET-STQMWFEESA-N 352.435 2.695 30 50 FFEA Cc1cc(N2CCC[C@@H](/N=C(/O)c3ccc(NC(C)C)nc3)C2)n(C)n1 330208314 AYWOOBPMSHGXHF-MRXNPFEDSA-N 356.474 2.917 30 50 FFEA C[C@@](O)(C/N=C(/O)N=c1cc[nH]cc1Br)C1CCCCC1 331168768 NEEPLLWZGYQMRW-OAHLLOKOSA-N 356.264 2.923 30 50 FFEA N#CCCn1cc(C(=O)N2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 3372275 SVDAFOPJWSOVHZ-UHFFFAOYSA-N 353.382 2.998 30 50 FFEA C=CCN(CC)C(=O)[C@H]1CC[C@H](n2cc(C[C@H](CC)C(=O)O)nn2)CC1 1875357006 XRUJUAPCLVHXGM-ZOBUZTSGSA-N 362.474 2.697 30 50 FFEA C#CCCC1(CCC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)N=N1 952882416 QQJHTQDBXDPWGL-SFHVURJKSA-N 354.454 2.532 30 50 FFEA CN(C)Cc1cc(O[C@@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)ccn1 886096656 NFZIQDLHWWFBHY-LJQANCHMSA-N 354.429 2.807 30 50 FFEA Cc1nnc(N2CCC[C@H](N(C)Cc3ccccn3)CC2)c(C#N)c1C 275727712 OVLHNETWIZQFKS-SFHVURJKSA-N 350.470 2.851 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(O)c1 5045088 YBEMBAWBMKGNFC-SFHVURJKSA-N 367.401 2.925 30 50 FFEA CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C2(C#N)CC2)cc1 376857347 RIBCNCPYUWKFNW-IBGZPJMESA-N 359.429 2.555 30 50 FFEA C=CCC[C@@H](CC(C)C)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 2325774217 QZBRNUVEOHFWIM-ZDUSSCGKSA-N 364.467 2.979 30 50 FFEA CC(C)(C)OC(=O)N[C@@H]1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1 222534068 AQMVOVMGZAZWBT-MRXNPFEDSA-N 359.275 2.978 30 50 FFEA COC(=O)c1n[nH]cc1-c1c(C)c([C@H]2CCOC(C)(C)C2)nc(N)c1C#N 67840302 VOCKWEZTFPEXDU-NSHDSACASA-N 369.425 2.693 30 50 FFEA N#Cc1ccc(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)nc1 72475890 HBRTXGXTFMAASD-NRFANRHFSA-N 361.449 2.757 30 50 FFEA CC(C)CN1C(=O)CC[C@H]2CN(C(=O)c3cc(F)cc(C#N)c3)CC[C@H]21 72454002 ARRAMRNJPDSINJ-MAUKXSAKSA-N 357.429 2.806 30 50 FFEA Cc1cc(N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)nc(C)c1C#N 220240278 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C=CCn1c(N)cc(=O)nc1S[C@@H](C)C(=O)Nc1cccc(Cl)c1 2751110 YVHPQNWPKRPGFO-JTQLQIEISA-N 364.858 2.784 30 50 FFEA COCc1ccc(C(=O)N2CC(=O)N(c3ccccc3C#N)C[C@@H]2C)s1 82100088 UAHZYYHURMRVQM-ZDUSSCGKSA-N 369.446 2.644 30 50 FFEA COc1cc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)ccc1O 100207530 DJJRUQKPOUBAPH-ZDUSSCGKSA-N 350.326 2.765 30 50 FFEA Cc1nc(N2CCCN(Cc3cccs3)CC2)c(C#N)cc1C(=O)O 1529111970 CWTRWQXSVVJZFR-UHFFFAOYSA-N 356.451 2.734 30 50 FFEA O=C(O)COc1ccccc1/C=N/n1c(S)nnc1-c1ccccc1F 5111475 YKJHUYOIBGTUEO-DJKKODMXSA-N 372.381 2.719 30 50 FFEA Cc1ccsc1-c1c(C#N)c(N)nc2c1CN(C(=O)[C@@H]1CCCO1)CC2 71771266 OSWMQTPYCIVTSK-HNNXBMFYSA-N 368.462 2.636 30 50 FFEA CCOC(=O)c1c(NC(=O)CN(CC)CC)sc2c1CCC/C2=N\O 4350935 OLBAOWISRQKCOL-XDHOZWIPSA-N 367.471 2.720 30 50 FFEA N#Cc1ccc(OCC(=O)N2N=C3CCCC[C@H]3[C@]2(O)C(F)(F)F)cc1 4866674 RAUHRSFCKJQRDR-CJNGLKHVSA-N 367.327 2.576 30 50 FFEA C[C@@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)[C@@H](c2ccccc2)CO1 331480192 XELSUKBSZUSLBA-AUUYWEPGSA-N 374.437 2.989 30 50 FFEA Cc1ncsc1CCC(=O)N[C@@H]1COCC[C@H]1Oc1ccc(C#N)cc1 220371411 XJHOFERFGSEIOD-IAGOWNOFSA-N 371.462 2.609 30 50 FFEA CCc1cc(OCC(=O)N2CCc3nc(O)c(C#N)cc3C2)ccc1Cl 1875269608 UAIPVZSKKFVVQQ-UHFFFAOYSA-N 371.824 2.838 30 50 FFEA CCc1nnc(/N=C(\O)CN2CCN(c3cccc(OC)c3)CC2)s1 19973766 NCTFYAAUCBUHSX-UHFFFAOYSA-N 361.471 2.519 30 50 FFEA C=CCNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 2961881 NRBUIUXSJBJETH-UHFFFAOYSA-N 374.462 2.583 30 50 FFEA CNC(=O)c1ccc([C@@H]2CCCCN2C/C(O)=N/[C@](C)(C#N)C2CC2)n1C 328629920 ITYCMXAHYDQFOY-OXJNMPFZSA-N 371.485 2.560 30 50 FFEA O/C(=N/Cc1ccc2c(c1)COC2)N1CCC[C@@](O)(C(F)(F)F)CC1 329291875 QZEOPUWGTPMVEI-INIZCTEOSA-N 358.360 2.910 30 50 FFEA N#C[C@]12C(N)=NC3(OCCO3)[C@]1(C#N)[C@@H]2c1cccc(Oc2ccccc2)c1 100196589 MQQOEURYPNQMQJ-YZGWKJHDSA-N 372.384 2.667 30 50 FFEA O=C1C(Cl)=C/C(=N\S(=O)(=O)c2ccccc2)C=C1Br 100323823 KSEVDEPQKVOEAT-NVNXTCNLSA-N 360.616 2.801 30 50 FFEA CC(=O)c1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)s1 218309692 JNRWNQGJGOCNGF-HZPDHXFCSA-N 370.430 2.789 30 50 FFEA CC(C)[C@H]1CN(C(=O)c2ccc(Br)cc2C#N)CCN1C 451375914 NMIFKARIOCBXFQ-OAHLLOKOSA-N 350.260 2.733 30 50 FFEA C#CC[C@@H](NC(=O)Nc1ccc(N2CCN(C3CC3)CC2)cc1)C1CC1 2325805901 CEGZZFYFAMEJEM-HXUWFJFHSA-N 352.482 2.894 30 50 FFEA C#CCCC1(CCC(=O)N(C)C[C@H]2OCCN(C)[C@@H]2c2ccccc2)N=N1 2325887203 XZAVPWTZCNIFGU-UYAOXDASSA-N 368.481 2.872 30 50 FFEA CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 4213338 OFSXGKOMEGSTSE-BPSSIEEOSA-N 364.457 2.901 30 50 FFEA in-man C[C@]1(Br)C[C@H]1C(=O)NC1(c2cccc(C#N)c2)CCOCC1 862206040 CGRPWWFXUNBRDE-HOCLYGCPSA-N 363.255 2.854 30 50 FFEA O=S1(=O)CCCC[C@@H]1CN/C(O)=N/C[C@H]1CCCC[C@H]1C(F)(F)F 329515807 DFGLKUUVTVGPHO-JHJVBQTASA-N 370.437 2.826 30 50 FFEA O=S(=O)(NC1CC1)c1ccc(N/N=C2\C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)nc1 1875390899 AHLJSRPYYHMZGL-AWMUENDUSA-N 360.483 2.746 30 50 FFEA C[C@H](c1cccc(C#N)c1)N1CCN(CC(=O)NC2CCCCC2)CC1 186281677 MBWMGKKXKBYBRT-QGZVFWFLSA-N 354.498 2.686 30 50 FFEA C=C(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C(=O)OC)C1 252487938 IFDIQGFBERYCJP-CQSZACIVSA-N 374.416 2.572 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)NCc2ccccc2-n2cccn2)c1 65374039 QEWIIUUMRCNNST-UHFFFAOYSA-N 359.429 2.925 30 50 FFEA O/C(=N/[C@H]1CCN(Cc2ccccc2)C1)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 329423391 GBUPGTPWCRKWBW-IEPIWIGSSA-N 369.509 2.848 30 50 FFEA CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc(-c3cccc(C#N)c3)cc2)C1 426683783 IRGIZANPPOIZNJ-QFIPXVFZSA-N 363.461 2.754 30 50 FFEA C=C(Br)CN1CCN(C(=O)c2cc(C)c(F)cc2F)CC1 2325867396 UWPMUQNMHUIQHF-UHFFFAOYSA-N 359.214 2.940 30 50 FFEA N#Cc1cc2n(n1)CCCN(Cc1cnc(NCc3ccccc3)nc1)C2 826805683 PGHMPQLYQYUKER-UHFFFAOYSA-N 359.437 2.563 30 50 FFEA CC(=O)N[C@H]1CCN(C(=O)c2cccc(-c3cc(C)c(C#N)c(C)n3)c2)C1 584891357 AFWLFTVDSAGPEL-SFHVURJKSA-N 362.433 2.588 30 50 FFEA Cc1nn(CCO)c(C)c1-c1cc(-c2c(F)cccc2F)nc(N)c1C#N 71499263 IESKOQNQLBNMLO-UHFFFAOYSA-N 369.375 2.953 30 50 FFEA N#Cc1ccc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c(F)c1 302156684 WOQRWDCDAGQOSS-OAHLLOKOSA-N 351.447 2.528 30 50 FFEA COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2cccnc2)c(OC)c1 5668972 KFDDKGASDIPLEI-QGZVFWFLSA-N 354.362 2.588 30 50 FFEA OCC[C@H]1CN(CC#Cc2ccccc2)CCN1Cc1ccccc1F 19224280 CINJICUMTXDDLB-NRFANRHFSA-N 352.453 2.746 30 50 FFEA Cc1cc(N2CC[C@@H](N(C)CCc3ccccc3)C2)n2ncc(C#N)c2n1 2325792782 LTZZZDFMGUMYNG-LJQANCHMSA-N 360.465 2.663 30 50 FFEA C#CCCC1(CCC(=O)N2CCC[C@@H](C(=O)Nc3ncccc3C)C2)N=N1 2325892143 AZEVYDHATFFTEX-MRXNPFEDSA-N 367.453 2.923 30 50 FFEA C=CCN(c1ccc(C(=O)NCCc2ccccc2)cc1)S(C)(=O)=O 1116613 GWQXGEPCKOFGSW-UHFFFAOYSA-N 358.463 2.611 30 50 FFEA C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCCn3nc(C(=O)OC)cc3C1)C2 65384946 RBSANZBKIAZOOW-XOBRGWDASA-N 357.454 2.785 30 50 FFEA Cn1nccc1CC/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328626350 LPLPBMHLTZJQNA-LLVKDONJSA-N 355.364 2.787 30 50 FFEA CC1(C)OB(c2cc(C(F)(F)F)ccc2N2CCOCC2)OC1(C)C 169743722 FGPWVOFEKZVCDA-UHFFFAOYSA-N 357.181 2.841 30 50 FFEA COc1ccc2c(c1)[C@@H](C)CN(CC(=O)NCc1cccc(C#N)c1)CC2 2325749383 MNUOQLQSZAAPKD-INIZCTEOSA-N 363.461 2.845 30 50 FFEA Cc1c(C(N)=O)sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C#N 2760843 LCQXFBFLQYHGNN-UHFFFAOYSA-N 364.770 2.841 30 50 FFEA N#Cc1ccc(N2CC[C@@H](N3CCO[C@H](c4cccc(C#N)c4)C3)C2=O)cc1 371292920 SGCFELMWHPBMCC-RTWAWAEBSA-N 372.428 2.609 30 50 FFEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccc1F 19582288 QDAYNYPMWGNROQ-QGZVFWFLSA-N 372.396 2.949 30 50 FFEA C=CCn1cc(CNC23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)c(C)n1 55042472 WBAONPDEHPUSCX-FWYSVENZSA-N 352.486 2.807 30 50 FFEA CSCCCN1C(=O)CC[C@H]2CN(Cc3cc(C#N)n(C)c3C)CC[C@H]21 72476113 DDXSTURULZREFK-QFBILLFUSA-N 374.554 2.771 30 50 FFEA N=C(N)NS(=O)(=O)c1ccc(N=Cc2ccc(Cl)cc2Cl)cc1 252680020 USMZLZRLPBFQIS-UHFFFAOYSA-N 371.249 2.916 30 50 FFEA Cc1c(Cl)cccc1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 192708903 MUZNDUCDNOGLTG-GFCCVEGCSA-N 355.829 2.661 30 50 FFEA C=CCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cc3ccccc3c(O)n1)CC2 2325878571 UUKAWJCOZIUFIV-HOTGVXAUSA-N 365.433 2.722 30 50 FFEA C=C(C)COc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 6747635 XJGWJUAFYOFRFH-UHFFFAOYSA-N 354.406 2.833 30 50 FFEA O=[S@+]1(O)C[C@H]2NC(=S)N(c3cc(C(F)(F)F)ccc3Cl)[C@@H]2C1 334158398 MBECCIKFSULBET-PSASIEDQSA-P 371.813 2.777 30 50 FFEA CC1CC(C#N)(C(=O)N2CC[C@@](c3nc(C4CC4)no3)(C(F)(F)F)C2)C1 952893329 IQSNSVBKQNSTMK-KPALFNEHSA-N 368.359 2.919 30 50 FFEA C=CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H](C#N)CCC23CCOCC3)cc1 1875371148 QVFCSEHMHBITHY-MAUKXSAKSA-N 353.422 2.640 30 50 FFEA COc1ccc(/C=N/N2CCN(c3ccccc3)CC2)c(OC)c1OC 946018 HPJFQNXSRRYCCU-RCCKNPSSSA-N 355.438 2.869 30 50 FFEA CC(C)CC1=NN(C(=O)COc2ccc(C#N)cc2)[C@@](O)(C(F)(F)F)C1 5064886 XOPZECPTNFAVCK-INIZCTEOSA-N 369.343 2.822 30 50 FFEA N#Cc1ccc(CCNC(=O)C(=O)Nc2cnc3c(F)cccc3c2)cc1 1857531688 BFFXKTAUHHNSCF-UHFFFAOYSA-N 362.364 2.543 30 50 FFEA COc1ccc([C@@H]2C[C@H]2c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)cc1 1857799404 ZVZFTFYXVDYFKS-JKSUJKDBSA-N 366.421 2.528 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)NC[C@H](O)c2ccccc2Cl)c1 65374356 BDDMKSVLSHEPEP-SFHVURJKSA-N 357.837 2.926 30 50 FFEA C=CCn1c(SCc2noc(CC(C)C)n2)nnc1C1CCNCC1 426599833 YGXOEGWVQMUBSH-UHFFFAOYSA-N 362.503 2.805 30 50 FFEA CC(=O)Nc1cccc(CC(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)c1 1875366786 YRNTXVJPILNTLT-INIZCTEOSA-N 372.274 2.882 30 50 FFEA CC1(C)OB(c2cc3cccc(B4OC(C)(C)C(C)(C)O4)c3[nH]2)OC1(C)C 169988749 PVELYJHNTSSSOF-UHFFFAOYSA-N 369.079 2.766 30 50 FFEA in-vitro CS(=O)(=O)[C@@H]1CCN(/C(O)=N/Cc2cc(Cl)sc2Cl)C1 330372978 KTTSBHZADYYDAQ-MRVPVSSYSA-N 357.284 2.588 30 50 FFEA CCOC(=O)c1cnc(C#Cc2ccc3c(c2)C(C)(C)CC[S@@]3=O)nc1 1772820531 LLMDAYVUHYVJSS-SANMLTNESA-N 368.458 2.842 30 50 FFEA COc1ccc(OC)c([C@H]2O[C@@]3(C)OC(=N)[C@@](C#N)([C@@H]3C)C2(C#N)C#N)c1 217567893 GFHRKJBJWRYYFO-XIANHYIHSA-N 366.377 2.678 30 50 FFEA CN(Cc1noc(C2CCC2)n1)C(=O)c1ccc(C#CC(C)(C)O)cc1 65461362 ZQVMVHJGAMRLPQ-UHFFFAOYSA-N 353.422 2.732 30 50 FFEA CN1CCCC[C@@H]1CC/C(O)=N/CC(=O)N1CCN(c2ccccc2)CC1 330344801 DJZINZWRRQKFPS-GOSISDBHSA-N 372.513 2.556 30 50 FFEA Oc1ccc(Br)cc1C=NN1CCN(c2ccccn2)CC1 245294776 AEYANVWFSYEDQT-UHFFFAOYSA-N 361.243 2.706 30 50 FFEA C=C(C)COc1ccc(C(=O)N[C@@H](C2CCNCC2)[C@H]2C[C@H](O)C2)cc1 244884059 YEKQMAYGSMAJJA-BJLQDIEVSA-N 358.482 2.510 30 50 FFEA COc1cc(/C=N/n2c(S)nnc2-c2cccnc2)cc(OC)c1OC 1475335 MIHCMXGZMIMVMH-DJKKODMXSA-N 371.422 2.537 30 50 FFEA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(c2nccnc2C#N)CC1 1857719467 NNTISZVRRNUZTJ-UHFFFAOYSA-N 364.453 2.626 30 50 FFEA CC1(C)CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H]1[C@@H]1CCCO1 377920507 NKXXNFJVJSOROL-GJZGRUSLSA-N 354.859 2.790 30 50 FFEA COc1ccc(/C=N/N(C)CCN(C)/N=C/c2ccc(OC)cc2)cc1 2900330 WQYBAMSYGOQFJV-YHARCJFQSA-N 354.454 2.935 30 50 FFEA CN(CCOc1ccc(C#N)cc1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328626813 FKVZEVODSOGKQN-FPOVZHCZSA-N 350.466 2.957 30 50 FFEA Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN([C@H]3CC[C@H](C#N)C3)C2)cc1 330252701 OMYWLLFHFSKLAD-BZSNNMDCSA-N 361.511 2.678 30 50 FFEA CC(=O)Nc1ccc2onc(CSc3[nH]c(=N)c(C#N)cc3C#N)c2c1 334163279 NIZRBMLSYZFQAQ-UHFFFAOYSA-N 364.390 2.629 30 50 FFEA COC(=O)c1cc(Br)cc(C(O)=Nc2cnccc2CO)c1 328596318 GGSNHMUPHMOKQF-UHFFFAOYSA-N 365.183 2.759 30 50 FFEA C#CCCC1(CCNC(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)N=N1 2325890990 KOVPTMSWXBRKTQ-HNNXBMFYSA-N 368.437 2.520 30 50 FFEA CC1=C(C(=O)N2CCOCC2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 20028826 CLINSPURAAZLSW-SFHVURJKSA-N 358.463 2.575 30 50 FFEA COc1ccc(-c2c(C)sc(NC(=O)COCC(=O)O)c2C#N)cc1 17074204 YUQNGAFPJUHGPS-UHFFFAOYSA-N 360.391 2.644 30 50 FFEA C=CCc1cc([C@@H]2CC(=O)NCc3nc4sccn4c32)cc(OC)c1O 65469626 DGDWDJKFMIZKSG-ZDUSSCGKSA-N 369.446 2.990 30 50 FFEA C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 333502483 CULMVNOGHSMVMH-SQNIBIBYSA-N 356.466 2.682 30 50 FFEA N#Cc1ccc(C(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)cn1 95529818 IKMDVAXGVJBUDR-SFHVURJKSA-N 372.432 2.613 30 50 FFEA O=S(=O)(C/C(O)=N/c1nnc(C(F)(F)F)s1)Cc1ccccc1 815451 KUCSFLMHQWPEIC-UHFFFAOYSA-N 365.358 2.760 30 50 FFEA Cn1c(O)nnc1C[C@H]1CCCC[C@H]1N[C@H]1CCc2ccc(C#N)cc21 826786522 CSHKCPSZAZWUIA-NXHRZFHOSA-N 351.454 2.771 30 50 FFEA CC1(C)OB(c2c(Br)cnn2Cc2ccccc2)OC1(C)C 170008675 QKWRTLHBAJSWHY-UHFFFAOYSA-N 363.064 2.993 30 50 FFEA COCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@@H]2c1cccc(C#N)c1 65393995 RAGLOCBPSZRCCF-CQSZACIVSA-N 365.389 2.626 30 50 FFEA C[C@H]1[C@H](C)C[C@H]2C(=O)C=C3OCO[C@]34Oc3cc5c(cc3[C@H]1[C@H]24)OCO5 34647724 GMTJIWUFFXGFHH-WPAOEJHSSA-N 356.374 2.967 30 50 FFEA biogenic,in-vitro C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 13521629 WYZWZEOGROVVHK-GTMNPGAYSA-N 364.781 2.692 30 50 FFEA in-vivo C[C@@H]1CN(Cc2ccc(C#N)cc2)CCN1c1nc(C#N)ncc1Cl 2325802403 FWAIKZUNOKCFQB-CYBMUJFWSA-N 352.829 2.584 30 50 FFEA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccncc2)C2=C(CCCC2=O)N1 100449302 KWSACYXBMDOFEG-BEFAXECRSA-N 368.433 2.772 30 50 FFEA CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(c2cccc(F)c2C#N)CC1 328655011 XYEAOQMFMCGXBR-HNNXBMFYSA-N 365.474 2.870 30 50 FFEA CC[C@@]1(C(N)=O)CCCN(C(=O)c2ccc(-c3cc(C#N)ccn3)cc2)C1 426489344 JLWMPFUSXDTEKG-OAQYLSRUSA-N 362.433 2.738 30 50 FFEA CC/N=C(/O)N1CCC(N(CC(=O)O)Cc2ccc(F)cc2Cl)CC1 328604338 JKISEVDSTFBLPL-UHFFFAOYSA-N 371.840 2.764 30 50 FFEA O=S1(=O)CCC(CC/N=C(/O)c2cnc([C@H]3CCCO3)s2)CC1 329005221 MMOARLPSLMBHCX-GFCCVEGCSA-N 358.485 2.514 30 50 FFEA Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1cc[nH]n1 370563592 KWRAFWQMWVTWDG-GOSISDBHSA-N 354.458 2.823 30 50 FFEA Cc1c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c2ccccc2n1C 245226719 JMKLJPSHWBKORH-LKJZXRBGSA-N 359.429 2.874 30 50 FFEA C=CCNCC[C@H]1CCC(=O)N1CC1(N2CCOCC2)CCCCCC1 299780015 HHMYHUPXPLJDJD-LJQANCHMSA-N 363.546 2.568 30 50 FFEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccco1 19996142 XEOQMNWZSILFDU-OAHLLOKOSA-N 360.435 2.871 30 50 FFEA Cc1nn(-c2ccccc2)nc1CNc1sc2c(c1C#N)CCNC2 2325802443 HODQYSXGWWTJBI-UHFFFAOYSA-N 350.451 2.767 30 50 FFEA C#CCCC1(CCC(=O)N2CC[C@H](c3ccccc3)[C@@H]2C(=O)OC)N=N1 2325892908 PONCFEYJYKMVLW-SJLPKXTDSA-N 353.422 2.900 30 50 FFEA CCOc1ccc(NC(=O)C[C@H]2S/C(=N/CCC3CC3)NC2=O)cc1 864344765 GKXMFJOOFZMKJL-OAHLLOKOSA-N 361.467 2.802 30 50 FFEA CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[C@H](c2cc[nH]c(=N)n2)C1 331678053 YDKNPPUVKCWTJE-AWEZNQCLSA-N 367.457 2.729 30 50 FFEA COC(=O)CC(CC(=O)OC)=NNc1ncc(C(F)(F)F)cc1Cl 4002076 JMHGXHNNGPJHEQ-UHFFFAOYSA-N 367.711 2.648 30 50 FFEA CNC(=O)c1ccc([C@H]2CCCCN2CC(O)=Nc2c(C)n[nH]c2C)n1C 328651120 VWAORVFAGZAHFA-OAHLLOKOSA-N 372.473 2.540 30 50 FFEA O=C(c1ccc(N=C(O)c2cccs2)cc1)N1CCN2C(=O)CC[C@@H]2C1 328983519 SMGABNNKGFVJPQ-OAHLLOKOSA-N 369.446 2.831 30 50 FFEA C=CCn1nc(C)c(CN2CCc3[nH]cnc3[C@H]2c2cc(C)no2)c1C 72409205 GZICHJYFIQGBEH-LJQANCHMSA-N 352.442 2.853 30 50 FFEA Cc1ccc(S(=O)(=O)O[C@@H]2[C@H]3CCC4(OCCO4)[C@H]3C[C@H]2C)cc1 71786153 JFLAOVOCSDIJQI-IWCQGFGOSA-N 352.452 2.878 30 50 FFEA CN(C)Cc1cc(O[C@@H]2CCN(Cc3ccc(F)cc3C#N)C2)ccn1 886096399 DTTHFMQFKIUTKG-HXUWFJFHSA-N 354.429 2.807 30 50 FFEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1ccc(F)cc1)C2 20601619 REYSGYAEADUOIZ-INIZCTEOSA-N 356.445 2.557 30 50 FFEA CC(C)Nc1ncccc1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 371360046 NDBAFLDNPQDQAB-SFHVURJKSA-N 350.422 2.987 30 50 FFEA CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O 36000019 QUKYYTVCXJBCJA-LLVKDONJSA-N 374.393 2.946 30 50 FFEA CC1(C)CN(/C(O)=N/C2CCN(c3nccs3)CC2)[C@@H]1[C@H]1CCCO1 329676523 UWQPHBVQXKELIO-HUUCEWRRSA-N 364.515 2.915 30 50 FFEA COCCN1CC[C@H](CNC(=O)c2cccc(-c3ccc(C#N)cc3)c2)C1 426477476 YNRUCHFDQBNLPG-GOSISDBHSA-N 363.461 2.923 30 50 FFEA Cc1nc2c([nH]1)[C@H](C(=O)N1CCO[C@@H](c3ccc(C#N)cc3)C1)CCC2 2325806374 MALOMRCFSMSFPN-SJLPKXTDSA-N 350.422 2.610 30 50 FFEA N#Cc1cc(C(=O)O)cc(I)c1Br 263625312 YQQNIJHGKWQPAR-UHFFFAOYSA-N 351.925 2.624 30 50 FFEA N#Cc1ccc(NC[C@@H]2CCC3(CCC3)[C@@H]2NC(=O)c2cocn2)cn1 1875407732 GULBSZCJFGVZMF-SUMWQHHRSA-N 351.410 2.732 30 50 FFEA COc1cc(C#N)ccc1CN[C@H]1CCO[C@@H]1c1cnn(CC2CC2)c1 886077889 JJPCAVANCZWCBV-AZUAARDMSA-N 352.438 2.793 30 50 FFEA CN(c1cc(C#N)c([N+](=O)[O-])c(N(C)C2CCOCC2)c1)C1CCOCC1 170647926 YHEKEKYUMIDFCD-UHFFFAOYSA-N 374.441 2.697 30 50 FFEA C[C@](O)(C/N=C(/O)N=c1cc[nH]cc1Br)C1CCCCC1 331168767 NEEPLLWZGYQMRW-HNNXBMFYSA-N 356.264 2.923 30 50 FFEA C=CCN(C(=O)c1cc(C)nc2cc(C)ccc12)[C@@H]1CCS(=O)(=O)C1 55359650 BWHOCYWVVRUXLU-OAHLLOKOSA-N 358.463 2.667 30 50 FFEA CCCCCCCCCCCCNC(=O)C[C@@](O)(CC(=O)O)C(=O)O 100969996 ABGBGJXCHTWNJK-GOSISDBHSA-N 359.463 2.704 30 50 FFEA N#Cc1cc(F)ccc1CN1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 375791059 NUAKEEHVGMPPRC-MSOLQXFVSA-N 361.417 2.567 30 50 FFEA C=C(C)CN(C)Cc1ccc(OC)c(OC[C@H](O)CN2CCCCC2)c1 95497427 VCFHMKOGZUYBSL-LJQANCHMSA-N 362.514 2.929 30 50 FFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCCCN1C(=O)c1cccs1 281535509 SAHOPRQFNYXPEZ-INMHGKMJSA-N 362.495 2.840 30 50 FFEA CCC1CCC2(CC1)N=C(O)N(C/C(O)=N/[C@@H]1CCCSC1)C2=O 329145816 AHORORILKKOHCU-UIORMTCPSA-N 353.488 2.934 30 50 FFEA C=CCON1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 216190542 OUJMQUZNSJGMOH-OTGTWEQSSA-N 357.020 2.767 30 50 FFEA C[C@@H]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1n1ccnc1 245606377 NHLPPVCPTJANAW-FVQBIDKESA-N 355.467 2.505 30 50 FFEA COc1nccc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)c1C#N 95499410 SFAKBMBRBSSUPM-QGZVFWFLSA-N 374.448 2.986 30 50 FFEA CCc1cc(C#N)ccc1NC(=O)N[C@@H]1CCCN(c2cnccn2)C1 95505906 IYVSJECWFMWFGZ-MRXNPFEDSA-N 350.426 2.701 30 50 FFEA CCc1nnc([C@H]2CCCN(C(=O)COc3ccc(C#N)cc3)[C@H]2C)o1 952852727 OQZJKFBPXKIVGD-BBRMVZONSA-N 354.410 2.677 30 50 FFEA C=CCN1C[C@@H]2[C@H](CNC(=O)CCc3ccc(F)cc3)[C@H]3CC[C@]2(C1)O3 1857727646 WOVSFRACAQDBEM-QEUVDIPISA-N 358.457 2.540 30 50 FFEA CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCO 1538192 ARBYGDBJECGMGA-UHFFFAOYSA-N 369.343 2.897 30 50 FFEA in-vitro N#Cc1ccsc1N1CC[C@H](N2CC[C@@]3(C2)OCc2ccccc23)C1=O 248771762 VTAASBYCJISXQR-PXNSSMCTSA-N 365.458 2.856 30 50 FFEA CN(Cc1ccc(C(=O)Nc2ncc(C#N)s2)cc1)C1CCOCC1 65451985 JVHCCUKAQVMFMH-UHFFFAOYSA-N 356.451 2.878 30 50 FFEA COc1ncc(-c2c(C)c([C@@H]3CCOC(C)(C)C3)nc(N)c2C#N)cn1 67954354 UGLUDBSQGTYXEU-GFCCVEGCSA-N 353.426 2.982 30 50 FFEA N/C(COc1ccc(Cl)cc1Cl)=N\NS(=O)(=O)c1ccccc1 15974435 NDMMZTRXUUFWNP-UHFFFAOYSA-N 374.249 2.623 30 50 FFEA N#Cc1ccccc1COc1cccc(CNCC2(O)CCOCC2)c1 238146089 ZNEUTGWIOZJKHQ-UHFFFAOYSA-N 352.434 2.768 30 50 FFEA CNC(=O)c1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 109351798 DLWQTJRQSJLVDQ-GOSISDBHSA-N 366.440 2.816 30 50 FFEA Cc1ccc(S(=O)(=O)N/N=C/c2cc(Br)ccc2O)cc1 1214268 PBEIAQYKTXKQGF-CXUHLZMHSA-N 369.240 2.776 30 50 FFEA COc1ccc(Cl)cc1NC(=O)C[C@@H]1CC(C(C)=O)=C(C)NC1=O 1857526071 HASFCCYAMWTOMI-NSHDSACASA-N 350.802 2.676 30 50 FFEA CN(CCNC(=O)Cc1cncc2ccccc12)Cc1cccc(C#N)c1 2325867540 ZIZOCVHJZCBXLG-UHFFFAOYSA-N 358.445 2.897 30 50 FFEA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 916761 KXXTUFCXCBROHT-UHFFFAOYSA-N 359.426 2.517 30 50 FFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(O)c1 100436387 OVUAQNIACUUGOR-SFHVURJKSA-N 357.406 2.550 30 50 FFEA Cc1nn(C)c(C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)c1Cl 2779091 GASJLGJZVQEEJK-UHFFFAOYSA-N 365.846 2.578 30 50 FFEA C=CCC(C(=O)OC)(C(=O)OC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4088806 XREKOXGWCNYNLG-UHFFFAOYSA-N 361.272 2.774 30 50 FFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 331739601 WRECTRQLUFDJQP-HLIPFELVSA-N 356.466 2.754 30 50 FFEA Cc1nc(N)nc(N[C@@H]2COCC[C@H]2Oc2ccc(C#N)cc2)c1Cl 219011198 XIZFIGPJHLAQGH-ZIAGYGMSSA-N 359.817 2.541 30 50 FFEA CO[C@@H]1O[C@]23CCC4=CC(=O)CC[C@@]41[C@@H]2CC[C@@]1(C)[C@@H]3CC[C@H]1C(=O)CO 257349571 OZBRSASHLPSDOA-HLJOZBTGSA-N 374.477 2.801 30 50 FFEA C#CCCC1(CCNC(=O)c2cc(OC)nn2-c2ncccc2Cl)N=N1 1875368631 HADFMTWAEWKDRT-UHFFFAOYSA-N 372.816 2.625 30 50 FFEA C=CCOc1ccccc1/C=c1\sc2nc(-c3cccs3)nn2c1=O 12343929 CGWBPDNEIPNWFK-PTNGSMBKSA-N 367.455 2.992 30 50 FFEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 17147577 SMTCNGSZCHWCLS-GOSISDBHSA-N 350.418 2.827 30 50 FFEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)cc1 19788483 FWHMOCAPLULCTL-SFHVURJKSA-N 366.417 2.532 30 50 FFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cn(C)nc1C 20607774 TXVJPAMYTSSVTC-QGZVFWFLSA-N 357.454 2.896 30 50 FFEA C=CCN1CC[C@]2(CCC1=O)CN(C(=O)Nc1ccccc1F)CCN2C 95354108 LXBPNFJTVWNHJV-HXUWFJFHSA-N 374.460 2.542 30 50 FFEA CN(C)/C=C/C(=O)c1cn(S(=O)(=O)c2ccccc2)c2cnccc12 498045229 HAMARJLNHWBALT-PKNBQFBNSA-N 355.419 2.531 30 50 FFEA Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(C#CC(C)(C)O)s2)CC1 670462639 PAHIYYUCKXOCEC-SFHVURJKSA-N 373.522 2.550 30 50 FFEA Oc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1 4119300 PSFGEHOWPXFVCJ-XSFVSMFZSA-N 352.442 2.829 30 50 FFEA N#Cc1ccc([C@H](O)C(=O)N2CCC[C@@H](c3cccc(O)c3F)C2)cc1 1875299809 XANYJMLUPRUOAP-BEFAXECRSA-N 354.381 2.843 30 50 FFEA N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@H](c3cccc(O)c3F)C2)cc1 1875299811 XANYJMLUPRUOAP-HNAYVOBHSA-N 354.381 2.843 30 50 FFEA Cc1ccc(C#N)cc1NC(=O)N1CCC(c2nc(N(C)C)no2)CC1 170618486 JJQVMWHVCRSYLG-UHFFFAOYSA-N 354.414 2.727 30 50 FFEA CN1C(=O)/C(=N/OC(=O)c2ccccc2Br)c2ccccc21 15745746 NNYFUJSONPCTFT-NBVRZTHBSA-N 359.179 2.987 30 50 FFEA CCn1nccc1[C@@H]1OCC[C@H]1CN[C@@H](Cc1ccccc1)/C(O)=N/C 328630586 JORLAHBRMWBRNE-JENIJYKNSA-N 356.470 2.768 30 50 FFEA C=CCOn1c(=O)c(-c2cccc(C(F)(F)F)c2)[n+]([O-])c2ccccc21 4858743 HHEYTMLTIFUCHS-UHFFFAOYSA-N 362.307 2.935 30 50 FFEA C=CCNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 6702356 SJASDIBMSZCNJJ-UHFFFAOYSA-N 358.463 2.543 30 50 FFEA N#Cc1cccc(C2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)c1 20599267 HJZFCACEAYYDJP-UHFFFAOYSA-N 373.412 2.560 30 50 FFEA Cc1cc(-c2c(C#N)c(N)nc3c2CN(c2ncccn2)CC3)ccc1O 72123824 NIIWTFGRAIZNPV-UHFFFAOYSA-N 358.405 2.569 30 50 FFEA C#CCCC1(CCC(=O)N2CCC(c3nnc4ccccn34)CC2)N=N1 952879129 AGYJRVMPXNWFDQ-UHFFFAOYSA-N 350.426 2.791 30 50 FFEA C=CCC[C@@H](CC)Nc1cccc(S(=O)(=O)N2CCC(O)CC2)c1 188086342 DVFLIMBHHVMGLO-OAHLLOKOSA-N 352.500 2.989 30 50 FFEA C=CCc1cc(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)ccc1OC 1529199122 UUMCBIRICDQDMD-FGTMMUONSA-N 356.466 2.753 30 50 FFEA O=c1c(/C=N/NS(=O)(=O)c2ccccc2)coc2ccc(Cl)cc12 5044472 YEBBASQLMSFHSN-GIJQJNRQSA-N 362.794 2.759 30 50 FFEA CO/N=C(/CNS(=O)(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1 5720548 BGHHLBANQQEMRK-MNDPQUGUSA-N 368.842 2.678 30 50 FFEA N#Cc1cnn2c(=O)nc(SCc3csc(C(F)(F)F)c3)[nH]c12 2325863537 MWMMMIMRZYEOFO-UHFFFAOYSA-N 357.342 2.662 30 50 FFEA N#CC1(NC(=O)CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)CCCCC1 275548285 DHFGOUMFYSLVBU-QGZVFWFLSA-N 355.486 2.768 30 50 FFEA C=CCNC(=O)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 15067037 JZYPXWRJOYNOPW-FQEVSTJZSA-N 355.526 2.708 30 50 FFEA COc1cc(/C=N\N=c2/sc3ccccc3n2C)ccc1OCCO 5571583 JPUYDBAJMCNZRK-QJQZTKPASA-N 357.435 2.554 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc(O[C@@H]3CCOC3=O)cc2C)N=N1 2325899809 YDLFOVOFSYFXJC-MRXNPFEDSA-N 355.394 2.984 30 50 FFEA N#Cc1ccc(OCC(=O)N2N=C3CCCC[C@@H]3[C@]2(O)C(F)(F)F)cc1 4866677 RAUHRSFCKJQRDR-BBRMVZONSA-N 367.327 2.576 30 50 FFEA C=CCOc1ccccc1CN1CCC(c2nnc(CN(C)C)n2C)CC1 77378512 UBSNSGHJSXDKEQ-UHFFFAOYSA-N 369.513 2.821 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)o1 1506431399 MVSYTVGUADVRPH-GOSISDBHSA-N 357.381 2.755 30 50 FFEA C=CCn1ncc(CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1C 1529167856 POPJRFABTIEFMR-GCJKJVERSA-N 362.477 2.961 30 50 FFEA COc1ccc(OC)c(/C=N\N2CCN(c3ccccc3OC)CC2)c1 15685281 XSNUAYHZMGOKCG-QNGOZBTKSA-N 355.438 2.869 30 50 FFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(O)c1 18056224 MGNHMKRIUQQJCE-GOSISDBHSA-N 357.406 2.932 30 50 FFEA COc1ncc(-c2c(C)c([C@H]3CCOC(C)(C)C3)nc(N)c2C#N)cn1 67954356 UGLUDBSQGTYXEU-LBPRGKRZSA-N 353.426 2.982 30 50 FFEA Cc1nc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)CCn2cccn2)cs1 328651013 VTLCLBAZUKSHJS-ZFWWWQNUSA-N 351.451 2.607 30 50 FFEA COc1ccc(C2(C/N=C(/O)N[C@H]3CC(=O)N(C)C3)CCCCC2)cc1 329930215 OHHHBIXQGLOJJB-INIZCTEOSA-N 359.470 2.631 30 50 FFEA Cn1nc(CC/N=C(/O)N2CCC[C@H](c3ncc[nH]3)C2)c2ccccc21 330098594 CCALVPXYCLGYNF-AWEZNQCLSA-N 352.442 2.633 30 50 FFEA CC(C)[C@H]1CN(C(=O)C2(C#N)CC2)CCC(=O)N1Cc1ccc(F)cc1 71752537 RZICXHMCYFDSIY-QGZVFWFLSA-N 357.429 2.715 30 50 FFEA CNC(=O)Cc1nc(-c2ccc(C#N)cc2)cc(-c2ccc3c(c2)OCO3)n1 823825631 FVEKXZQXWUBDMI-UHFFFAOYSA-N 372.384 2.699 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC(OCc3ccccn3)CC2)o1 952965972 GGLMXSUKKDDKNQ-UHFFFAOYSA-N 368.433 2.618 30 50 FFEA O=C1C=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2C1=O 4719235 HRLOTCDEPUFVRF-UHFFFAOYSA-N 363.373 2.523 30 50 FFEA N#Cc1cnc(NC(=O)c2cccc(CN3[C@H]4CC[C@@H]3C[C@H](O)C4)c2)s1 102224336 PRLBYXNDOIJXAY-ZSHCYNCHSA-N 368.462 2.755 30 50 FFEA C=CCN(Cc1nc(-c2ccc(C)o2)oc1C)[C@H]1CCS(=O)(=O)C1 20855776 KRNLRZWCZXZAOU-AWEZNQCLSA-N 350.440 2.727 30 50 FFEA C=CCNC(=O)CN1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 67692559 KMCCMUSMQAMMIZ-UHFFFAOYSA-N 358.463 2.926 30 50 FFEA OC[C@@H]1c2ccccc2CCN1/C(O)=N/[C@H]1CCN(Cc2ccccc2)C1 330035497 XKXXJAHWKSJTHK-PZJWPPBQSA-N 365.477 2.767 30 50 FFEA COc1cc(C#N)ccc1OC[C@H]1CCCN(C(=O)c2cccn2C)C1 1857736193 ZHKIVMZHRGZBEM-INIZCTEOSA-N 353.422 2.837 30 50 FFEA C#CCCC1(CCC(=O)N2Cc3ccc(OC)cc3[C@@H](C(=O)O)C2)N=N1 2325901166 WKLSGCWYCBHFGZ-INIZCTEOSA-N 355.394 2.561 30 50 FFEA Cc1cnc(C)c(N2CCN(Cc3ccc(C#CC(C)(C)O)s3)CC2)n1 65373617 HGEPMXRQWIKTGU-UHFFFAOYSA-N 370.522 2.600 30 50 FFEA CCc1cc(-c2cc(-c3ccc(OCC(=O)O)cc3)nc(N)c2C#N)on1 71754109 KPLWXYHPKTZNCG-UHFFFAOYSA-N 364.361 2.883 30 50 FFEA C=CCN(CC=C)[C@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC=C)C1 14747512 YGVSRJFZKZMARO-KRWDZBQOSA-N 354.498 2.836 30 50 FFEA CN1CCC[C@@H](CNc2nc3c(cc2C#N)CCC3)[C@@H]1c1ccnn1C 284804557 IGNSNMBTWYXDNW-HNAYVOBHSA-N 350.470 2.670 30 50 FFEA Cc1ccc(S(=O)(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)cc1 169747542 HSUXBKSAYIKGHM-UHFFFAOYSA-N 363.288 2.947 30 50 FFEA in-vitro Cc1noc(C)c1[C@@H](C)C(=O)N1CCN(Cc2ccc(C#N)cc2)C[C@@H]1C 170596491 OXSUASSFLQNYDT-LSDHHAIUSA-N 366.465 3.000 30 50 FFEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 13285524 OEOZFBHSFRWKRK-SFHVURJKSA-N 355.390 2.946 30 50 FFEA C=CCN(C)Cc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1 2325728755 YYXAIGANDPKSBH-UHFFFAOYSA-N 364.493 2.657 30 50 FFEA N#C[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 245312845 XWNJGDKDMIFFFC-WCIQWLHISA-N 355.397 2.721 30 50 FFEA COC(=O)c1cc(C#N)cc(I)c1Br 263623519 IEUABBMMMXBUJY-UHFFFAOYSA-N 365.952 2.712 30 50 FFEA COC(=O)c1cc(Br)cc(C#N)c1I 263623499 HZKXTEGPMGDYMK-UHFFFAOYSA-N 365.952 2.712 30 50 FFEA N#CC1(c2ccc(F)c(-c3ccc4c(c3)OCC(=O)N4CC(=O)O)c2)CC1 1875303689 IOJCBSFJWHRCPT-UHFFFAOYSA-N 366.348 2.858 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)N=N1 952880146 CJJPDILNQHPZQV-UHFFFAOYSA-N 353.470 2.728 30 50 FFEA COc1ccc(CN2C[C@H](NC(C)=O)CC[C@H]2C(F)(F)F)cc1C#N 492670630 QXKLJMDFDJGCMF-ZBFHGGJFSA-N 355.360 2.598 30 50 FFEA C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Br)cn1 6715681 JQXJCQXJDKCJQR-UHFFFAOYSA-N 368.260 2.661 30 50 FFEA C=CCN(Cc1cccc(OCC)c1)C(=O)Cc1c(C)nc(C)[nH]c1=O 67872037 WUCGRQMOQKAZBH-UHFFFAOYSA-N 355.438 2.543 30 50 FFEA COc1cc(Cn2ccc3nc(O)c(C#N)cc3c2=O)ccc1OC(C)C 67490708 RPAQIZHQECQIDO-UHFFFAOYSA-N 365.389 2.818 30 50 FFEA C[C@H](/N=C(/O)OCc1ccccc1)C(=O)N1CC(C)(C)[C@@H]1c1cnn(C)c1 328591786 JLZAYALVNRFXRL-YOEHRIQHSA-N 370.453 2.849 30 50 FFEA CC(C)c1nnc([C@@H]2COCCN2C(O)=Nc2ccc(Cl)cn2)o1 328633015 SFWLVUQHMLCXID-NSHDSACASA-N 351.794 2.860 30 50 FFEA CCN1CCN(/C(O)=N/Cc2nc(C3CC3)cs2)C[C@@H]1c1ncc[nH]1 330002706 ZBOWVVAVIVJZEG-CQSZACIVSA-N 360.487 2.536 30 50 FFEA O/C(=N/C[C@@H]1Cc2ccccc2O1)N1CCC[C@](O)(C(F)(F)F)CC1 329231562 FHSZXOFJJZMZEG-XJKSGUPXSA-N 358.360 2.683 30 50 FFEA CC(C)[C@H]1COCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 2325784195 HFEIKUDWHVQVQV-IAGOWNOFSA-N 359.445 2.655 30 50 FFEA O=[N+]([O-])c1cccc(/C=N/N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 4828531 IFTWQJAYGSICME-YPOUMIDOSA-N 359.407 2.622 30 50 FFEA NS(=O)(=O)c1ccc(N/C(S)=N\Cc2ccccc2Cl)cc1 8682389 BBTISSBFBMGXGA-UHFFFAOYSA-N 355.872 2.885 30 50 FFEA CCCN(CC#Cc1ccccc1)C(=O)Cn1nc(C)c(C(C)=O)c1C 65404101 MTIFDXBDQVAJQK-UHFFFAOYSA-N 351.450 2.993 30 50 FFEA CSCCN1CCN(C(=O)c2ccc(-c3ncccc3C#N)cc2)CC1 426606683 CKTGQEYIDWEHLN-UHFFFAOYSA-N 366.490 2.741 30 50 FFEA CC(C)C(=O)NCCNC(=O)c1cccc(-c2ccc(F)c(C#N)c2)c1 426547523 CKJOMDFWGODMIP-UHFFFAOYSA-N 353.397 2.866 30 50 FFEA COc1cccc(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1F 192713847 SCUSTJOCODOWSG-QGZVFWFLSA-N 353.397 2.597 30 50 FFEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccncc1 19884091 UWSGAXZROWZFHU-SFHVURJKSA-N 365.433 2.612 30 50 FFEA C=CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 2958505 ARBWDDICBSCNRX-UHFFFAOYSA-N 362.426 2.632 30 50 FFEA Cn1cc(C#N)cc1C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857701595 WOQFQUHELWAHOC-UHFFFAOYSA-N 359.433 2.538 30 50 FFEA C#CCCC1(CCC(=O)N2CCc3c(ccc(F)c3F)[C@@H]2C(=O)O)N=N1 2325901202 XYLVGTPDGMKMFL-MRXNPFEDSA-N 361.348 2.831 30 50 FFEA COc1cccc(/C=C/c2nc(C#N)c(NCCCN3CCOCC3)o2)c1 20638825 RFXRZWRIBRZSTQ-VOTSOKGWSA-N 368.437 2.859 30 50 FFEA Cc1ncsc1N=C(O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 329958977 QWHJVMUBLMFWEY-NSHDSACASA-N 359.407 2.864 30 50 FFEA CN(C)/C=N/c1ccc(S(=O)(=O)c2ccc(/N=C/N(C)C)cc2)cc1 18212690 XTFUZNKOLZFZEW-IWGRKNQJSA-N 358.467 2.962 30 50 FFEA Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1sccc1OC(F)F 114988891 OYVPKGPCRLIJPV-UHFFFAOYSA-N 372.374 2.648 30 50 FFEA CC/C(NCCc1ccccc1)=C1/C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O 100450231 CZGNOAHDNPWEIB-WBWKYDSYSA-N 357.450 2.840 30 50 FFEA biogenic COCCN(CC#Cc1ccccc1)C(=O)CC(=O)Nc1ccccc1C 55371109 IZILEOPLGDFTRT-UHFFFAOYSA-N 364.445 2.850 30 50 FFEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1c(F)cccc1F)C2 14530721 PCMBEDZWMOIVKO-CYBMUJFWSA-N 374.435 2.696 30 50 FFEA COc1ccc([C@@H]2C[C@H]2c2nc(C#N)c(N3CCCN(C)CC3)o2)cc1 1857798731 MCASJBAYUPORNU-DLBZAZTESA-N 352.438 2.968 30 50 FFEA Cc1cc(C)cc(CN2CCN(C(=O)c3cc(F)cc(C#N)c3)CC2=O)c1 77458203 VYCUZKPWWIBTDK-UHFFFAOYSA-N 365.408 2.799 30 50 FFEA COc1cccc([C@H]2O[C@@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@@H]3C)c1OC 226964536 HMNONSNRPYFUCY-BFZPOMTKSA-N 366.377 2.678 30 50 FFEA C=C(C)COc1ccccc1C(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 244723849 MIQDOSNKBSEYRK-QOKNQOGYSA-N 355.438 2.617 30 50 FFEA Cc1c(Cl)cnc(NC[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1C#N 886048075 IPGKKRGWEUFXGT-GUYCJALGSA-N 355.829 2.942 30 50 FFEA N#Cc1ccc([C@H](O)C(=O)NCCc2sccc2Br)cc1 1471565839 WJOBNEZWDRKHDX-AWEZNQCLSA-N 365.252 2.775 30 50 FFEA COc1cc(-c2cc[n+](CC(=O)c3ccccc3)cn2)cc(OC)c1OC 5670103 UGDAOYVXULVMMG-UHFFFAOYSA-N 365.409 2.945 30 50 FFEA C#Cc1ccc(CN2CCC(N3CCC(C(=O)NC(C)C)CC3)CC2)cc1 12711853 VCWIOCFIBUCASA-UHFFFAOYSA-N 367.537 2.869 30 50 FFEA C#CCCC1(CCC(=O)NC[C@@H]2Oc3ccc(C(=O)OC)cc3[C@@H]2C)N=N1 2325891982 SNILHHKXJDTBTD-GUYCJALGSA-N 369.421 2.810 30 50 FFEA C#CCN1C(=O)[C@](O)(CC(=O)c2ccc(-n3cccc3)cc2)c2ccccc21 1078366 IRLMZIOKUVVUQX-QHCPKHFHSA-N 370.408 2.918 30 50 FFEA C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC=C)c(OC)c1 4845267 URTUSZDGQYGBSR-QGZVFWFLSA-N 358.394 2.617 30 50 FFEA CN1CCC[C@]2(CCN(C(=O)CC3=C(c4cccs4)CCC3=O)C2)C1=O 67676118 DMXIVOQVBDLVPQ-HXUWFJFHSA-N 372.490 2.726 30 50 FFEA C=CCN1CC[C@H](CNC(=O)N(C)CCc2nc3cccc(C)c3[nH]2)C1 670447972 VCCVFGJFEMVAGT-MRXNPFEDSA-N 355.486 2.563 30 50 FFEA C#CCCC1(CCC(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)N=N1 952880760 LNIOMHHQJXPRIG-UHFFFAOYSA-N 370.428 2.856 30 50 FFEA CC1(C#N)CCN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)CC1 272481597 CBJOHUZMIWUPQF-UHFFFAOYSA-N 352.438 2.555 30 50 FFEA C=CCOC(=O)[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 36463825 HJPQKBAZSODTJO-IBGZPJMESA-N 367.401 2.615 30 50 FFEA C#CCCC1(CCC(=O)N(CCO)[C@H](C)c2ccc3c(c2)OCCO3)N=N1 2325894444 SEVOIPOKJYWDSU-OAHLLOKOSA-N 371.437 2.695 30 50 FFEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)Cc2noc3ccccc23)C1 328626627 FHKBIJUZPXSQCT-UHFFFAOYSA-N 357.410 2.654 30 50 FFEA CN(Cc1cc(O)n2ncc(C#N)c2n1)Cc1ncc(Cl)cc1Cl 2325873518 KBVHPZASVRXCTD-UHFFFAOYSA-N 363.208 2.640 30 50 FFEA COc1cnccc1-c1ccc(C(=O)N2CCCn3nc(C#N)cc3C2)cc1 2356167138 IXYRVLIYOGOETJ-UHFFFAOYSA-N 373.416 2.871 30 50 FFEA OCC[C@@H]1CN(CC#Cc2ccccc2)CCN1Cc1ccc(F)c(F)c1 20992754 BCJNNILRRGVKGY-HXUWFJFHSA-N 370.443 2.885 30 50 FFEA COc1cc2c(cc1-c1c(C#N)c(N)nc3c1[C@H]1CC[C@@H](C3)N1C)OCO2 67742534 DDAVQUHELZDRIH-IINYFYTJSA-N 364.405 2.631 30 50 FFEA NC(=O)N1CCC[C@@H](C(=O)N(CC#Cc2ccccc2)C2CCCC2)C1 65532830 MVNHCWJMCGPUFF-GOSISDBHSA-N 353.466 2.600 30 50 FFEA CN1CCc2nc(N)c(C#N)c(-c3nn(C)c4cccc(Cl)c34)c2C1 72172805 KCFGSZJAVMXNFA-UHFFFAOYSA-N 352.829 2.730 30 50 FFEA C=C(C)CN(C)Cc1ccc(OC)c(OC[C@@H](O)CN(C)C(C)C)c1 12387584 LNOPUFLNMXLJNH-SFHVURJKSA-N 350.503 2.783 30 50 FFEA O=C(C#Cc1ccccc1)NC[C@H]1Cc2cc(-c3cnccn3)ccc2O1 12452056 QLQAZUHMPSPNIR-LJQANCHMSA-N 355.397 2.615 30 50 FFEA C#CCCC1(CCC(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C(=O)OC)N=N1 2325892907 PONCFEYJYKMVLW-FUHWJXTLSA-N 353.422 2.900 30 50 FFEA Cc1cccc(Cl)c1S(=O)(=O)NC(=O)c1ccccc1OCC#N 153707453 DOBIDAWWHIIWCT-UHFFFAOYSA-N 364.810 2.670 30 50 FFEA C=CCC1(CC=C)CCCN1C(=O)C[C@@H]1C(=O)NCCN1CCC(C)C 39371694 QCZKXEGTJHQGQC-GOSISDBHSA-N 361.530 2.736 30 50 FFEA C#CCN(C(=O)C1CCN(C(=O)C=C)CC1)[C@H]1CCCc2ccccc21 1875367015 KUOQJDVBOSGELI-FQEVSTJZSA-N 350.462 2.950 30 50 FFEA O=C1C(O)=C(CC2=C(O)C(=O)[C@H]3C=CC=C[C@H]3C2=O)C(=O)c2ccccc21 101022505 CSTUXAZAWKGUIT-PWSUYJOCSA-N 362.337 2.590 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)NCc2ccc3c(c2)OCCCO3)c1 65371450 YLYNYWWZDSEPQT-UHFFFAOYSA-N 365.429 2.900 30 50 FFEA CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(CCOc1ccc(C#N)cc1)[C@H]3C2 179021569 UGKMJMUPYFXHHV-AYBZRNKSSA-N 360.479 2.777 30 50 FFEA C=CCc1cc(CN2CCn3nc(CNC(=O)CC)cc3C2)ccc1OC 299765312 FQTLMEBDBVDJFR-UHFFFAOYSA-N 368.481 2.662 30 50 FFEA N#Cc1cccc(S(=O)(=O)NC(=O)c2ccc(OC3CCC3)cc2)c1 170645565 BLVQNUVMYUHJOP-UHFFFAOYSA-N 356.403 2.608 30 50 FFEA CC(C)(C)C(=O)NC[C@H]1[C@H]2CN(Cc3ccc(C#N)cc3)C[C@]23CC[C@H]1O3 1857739924 ZFBCGOXOCHIMPZ-JZJXAQOMSA-N 367.493 2.700 30 50 FFEA CCn1c([C@H]2OCC[C@H]2C)nn(CCCOc2ccc(C#N)cc2)c1=O 328633831 MIFCTDIPWDKMPD-PBHICJAKSA-N 356.426 2.503 30 50 FFEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(Br)cc1)[C@H]1C=C[C@H]2C12CC2 105214513 QMTDZAVNWVAJSX-OEARENNWSA-N 371.234 2.980 30 50 FFEA CCCCCCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 170005303 GOBCLIMQDIFUMX-UHFFFAOYSA-N 367.320 2.844 30 50 FFEA C[C@H]1CCN(/C(O)=N/C[C@@H](C)Oc2cccc(Br)c2)[C@@H]1CO 331290969 PACDWVFWMMTEHY-YWPYICTPSA-N 371.275 2.833 30 50 FFEA O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccco1)c1ccco1 84429743 DWLBMFZWOYSOKW-INIZCTEOSA-N 367.361 2.738 30 50 FFEA N#Cc1cncc(S(=O)(=O)N2C[C@@H]3CCCCN3c3ccccc32)c1 294694783 UBRMRBQTEFFWRP-HNNXBMFYSA-N 354.435 2.521 30 50 FFEA C[C@H](NC(=O)N1CCC(C#N)(c2ccccc2)CC1)C1CCN(C)CC1 534581832 GUAXKWCFSRBBNM-KRWDZBQOSA-N 354.498 2.984 30 50 FFEA Cc1noc(C)c1[C@H](C)C(=O)N1CCN(Cc2ccc(C#N)cc2)C[C@@H]1C 170596492 OXSUASSFLQNYDT-GJZGRUSLSA-N 366.465 3.000 30 50 FFEA CCc1nc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)[nH]c(=O)c1C#N 5239012 BDLGUCYCTFFOFX-VIFPVBQESA-N 362.842 2.977 30 50 FFEA CC[C@@H]1[C@H](/C(O)=N/CCN(C)CCOC)CCN1C(=O)OC(C)(C)C 328593774 HEWNMLWNUFACTH-HUUCEWRRSA-N 357.495 2.557 30 50 FFEA CC(C)c1noc([C@@]23CCC[C@@H]2CN(C/C(O)=N/C2CCOCC2)C3)n1 328606968 UHYITWKLJHOEAG-AUUYWEPGSA-N 362.474 2.682 30 50 FFEA C=CC[C@]1(C(=O)O)CCCN(C(=O)c2ccc(OC)c(OC)c2OC)C1 91943693 MQSXVAUQFIQKHD-IBGZPJMESA-N 363.410 2.596 30 50 FFEA CC(C)(C)OC(=O)NCCCN1CCN(c2ccc(C#N)cc2F)CC1 170607036 QUSYJFXOWPBVDW-UHFFFAOYSA-N 362.449 2.734 30 50 FFEA CO[C@@H](CC(C)C)CS(=O)(=O)N1CC[C@@H](CC#N)C(F)(F)CC1 2325783859 HVKVFODGMYKEFA-KGLIPLIRSA-N 352.447 2.638 30 50 FFEA CN1CCN(c2ccccc2CNC(=O)c2c[nH]c3cc(C#N)ccc23)CC1 2325821821 CZVHVPKLWIOHKE-UHFFFAOYSA-N 373.460 2.721 30 50 FFEA C=CCNC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 2962077 GYVZYTCLTRHJNU-UHFFFAOYSA-N 374.462 2.501 30 50 FFEA N#Cc1ncccc1S(=O)(=O)N1CC[C@@](F)(c2cccc(Cl)c2)C1 374615816 ZWYPGDAEFKYAKO-INIZCTEOSA-N 365.817 2.866 30 50 FFEA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C(=O)C=CC(=O)[C@H]12 245227161 DCGCFQBJRLWZID-FUAUIPCOSA-N 372.031 2.588 30 50 FFEA C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CF 257358065 RKZQIIAUELZWEU-LRIWQSHXSA-N 362.441 2.535 30 50 FFEA COC(=O)c1cc(I)c(Br)cc1C#N 263623497 HYXLDSKFQSEKHK-UHFFFAOYSA-N 365.952 2.712 30 50 FFEA CC1(C)OB([C@H]2CCN(C(=O)NCCc3cccc(C#N)c3)C2)OC1(C)C 1875366727 FPUDAIULFQVEKU-KRWDZBQOSA-N 369.274 2.978 30 50 FFEA COc1cc(CN2C[C@H](OC)C[C@H]2COc2cccnc2)ccc1C#N 952887904 FJAOEWHQFDEISB-PKOBYXMFSA-N 353.422 2.630 30 50 FFEA COC(=O)c1ccc(/C=N\N2CCN(Cc3ccc(C)cc3)CC2)cc1 15659452 DRKJCKMXAOHFGA-JCMHNJIXSA-N 351.450 2.933 30 50 FFEA COc1cc(C#N)ccc1OC[C@H]1CCCN(C(=O)c2nsnc2C)C1 1857739703 PDIFVYYFAZCOIU-AWEZNQCLSA-N 372.450 2.658 30 50 FFEA O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1cccs1)c1ccco1 8743138 DTPDDQVDXNRODJ-ZDUSSCGKSA-N 353.359 2.914 30 50 FFEA COCc1ncc(-c2cc(-c3ccc(O)cc3F)nc(N)c2C#N)cn1 71614300 ZQSORFQLPIPMKK-UHFFFAOYSA-N 351.341 2.651 30 50 FFEA COc1nccc(N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)c1C#N 77342553 TTZFRXOQWSIIBF-FQEVSTJZSA-N 354.454 2.581 30 50 FFEA Cc1nc(N(C)C[C@H]2CCN(c3ccccc3)C2)c(C#N)cc1C(=O)O 1529118180 FQOVKMKIHGRFQI-OAHLLOKOSA-N 350.422 2.923 30 50 FFEA CCN1C(=O)[C@](O)(CC(=O)/C=C\c2ccc3c(c2)OCO3)c2ccccc21 16185301 MVYYHXDGYFFMIB-RVFJIUOTSA-N 365.385 2.642 30 50 FFEA Cc1ccc(N2CCN(/N=C\c3ccccc3OCC(=O)O)CC2)cc1 4567500 QLTFFWYXBQMTCR-STZFKDTASA-N 353.422 2.615 30 50 FFEA C[C@@H]1C[C@H]2O[C@H]2/C=C/C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 100013319 WYZWZEOGROVVHK-DPFGMWPISA-N 364.781 2.692 30 50 FFEA in-vitro OC1=N[C@@H]2CCCC[C@H]2N(/C(O)=N/Cc2cccc(-n3ccnc3)c2)C1 330268062 AQYZWLHJZIOFMG-IAGOWNOFSA-N 353.426 2.870 30 50 FFEA C[C@](O)(C/N=C(/N)N[C@H]1CCOc2ccccc21)c1ccc(F)cc1F 262540253 RHHOIPJCULBOSA-LPHOPBHVSA-N 361.392 2.600 30 50 FFEA CN(C)[C@@H](C(=O)N1CCN(c2ccccc2C#N)CC1)c1cccc(F)c1 92061743 UIODYADZRCTRFD-HXUWFJFHSA-N 366.440 2.649 30 50 FFEA N#Cc1ccc(S(=O)(=O)N2CCC([C@@H](O)c3cccs3)CC2)cc1 952971222 IWMHMFFICJQBOI-QGZVFWFLSA-N 362.476 2.754 30 50 FFEA CCNc1nc(C)c(C(=O)NC2CCN(c3ncccc3C#N)CC2)s1 1506400130 AJUVTHMKAKTBHO-UHFFFAOYSA-N 370.482 2.549 30 50 FFEA CCOc1cccc(/C=N/N2CCN(c3ccccc3OC)CC2)c1O 1194659 POBKBJSFHMZDIQ-RCCKNPSSSA-N 355.438 2.956 30 50 FFEA O=C1C=C(c2ccccc2)C[C@H](c2ccccc2)[C@@H]1n1nnc([N+](=O)[O-])n1 5006101 AWJFAYCECIVOOU-AEFFLSMTSA-N 361.361 2.963 30 50 FFEA COc1cc(CCN=C2NC[C@H](c3c(F)cccc3F)N2)cc(OC)c1 2325863329 DQOZBYITSPTBSE-QGZVFWFLSA-N 361.392 2.815 30 50 FFEA Cc1cc(NS(=O)(=O)c2ccc(CC(C)C)cc2)n2ncc(C#N)c2n1 2325869031 WMYWEADSBHQIEQ-UHFFFAOYSA-N 369.450 2.909 30 50 FFEA N#CCCn1cc(C(=O)N2CCOCC2)c(-c2cc3ccccc3o2)n1 3372230 OHFLDYVGQNDETJ-UHFFFAOYSA-N 350.378 2.682 30 50 FFEA COc1cccc(-n2c(SCC(=O)O)nnc2-c2ccc(C#N)cc2)c1 67934035 IJODTHNODLUUGS-UHFFFAOYSA-N 366.402 2.991 30 50 FFEA CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccco1 20057792 XTSFDYOYFRWVTG-INIZCTEOSA-N 358.394 2.793 30 50 FFEA C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCC[C@H]1C(C)(C)C 332091954 AKXBKMLKYCNLQI-OAGGEKHMSA-N 370.501 2.783 30 50 FFEA Cn1cc(N=C(O)N2CCC3(C2)Oc2ccccc2O3)c(C(F)(F)F)n1 329306778 BGEKCKMMWQSPAS-UHFFFAOYSA-N 368.315 2.858 30 50 FFEA Cc1ccc(-c2cc(-c3c(C)nn(CC(=O)O)c3C)nc(N)c2C#N)o1 72147178 RLXDENIGOOXTPC-UHFFFAOYSA-N 351.366 2.669 30 50 FFEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2cccn2C2CC2)cc1 220621922 GKNOMOWRPKFKDT-IEBWSBKVSA-N 351.406 2.661 30 50 FFEA CC(C)(C)CN1CCC[C@]2(CCN(Cc3ccc(C#CCO)s3)C2)C1=O 12055289 OHIVHXHLXMXTBH-OAQYLSRUSA-N 374.550 2.953 30 50 FFEA CCCN(CC#Cc1ccccc1)Cc1ccc(S(=O)(=O)NC)cc1 63846184 CZRVNNBOYHMKEE-UHFFFAOYSA-N 356.491 2.858 30 50 FFEA COc1cc(C)sc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C#N)cc1 222227835 XGCHAMBDCSKZCG-NVXWUHKLSA-N 372.446 2.903 30 50 FFEA OCC#Cc1csc(-c2cn(C[C@@H]3OCCc4ccccc43)nn2)c1 91818600 AICLUDBNOANCRH-SFHVURJKSA-N 351.431 2.664 30 50 FFEA C/C(=N\NC(N)=S)c1ccc(-c2sc([N+](=O)[O-])cc2[N+](=O)[O-])s1 12343273 GYMOKPFVSSBOTM-WLRTZDKTSA-N 371.425 2.850 30 50 FFEA O=C(Cc1cccs1)N1CCC[C@@H]1C(O)=Nc1ncc(CCO)s1 328591826 PVKIZGBPSZMKHN-CYBMUJFWSA-N 365.480 2.561 30 50 FFEA CCOC(=O)/C(=N\OC)c1csc(NC(=O)/C=C/c2ccccc2)n1 5324732 ORCFHJBSNJHDGT-GXZXSNFWSA-N 359.407 2.709 30 50 FFEA COCc1ccc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C#N)cc2)s1 223921127 DFHOPUAPEJUGNK-IAGOWNOFSA-N 372.446 2.732 30 50 FFEA N#Cc1cc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)ccc1F 183754357 FGLYVARFTMZJHK-QGZVFWFLSA-N 365.474 2.524 30 50 FFEA CC(=O)Nc1cccc(CC(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)c1 1875366787 YRNTXVJPILNTLT-MRXNPFEDSA-N 372.274 2.882 30 50 FFEA CCN1CCC[C@@H](CN(C)C/C(O)=N/Cc2ccco2)[C@@H]1c1cnn(C)c1 328642166 QXCKIIRHWVRQNM-OXJNMPFZSA-N 373.501 2.875 30 50 FFEA CCc1nnsc1/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328620662 HFUNGSCTITVQGV-QMMMGPOBSA-N 359.377 2.883 30 50 FFEA CN(CCOc1cccc(C#N)c1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328626068 DUNJRHZAVBDYJD-GHTZIAJQSA-N 367.497 2.685 30 50 FFEA Cc1[nH]c2c(N3CCO[C@H](CO)C3)c(C#N)c(C(F)(F)F)nc2c1Cl 1357109284 ATFQBBCQZKVZJN-QMMMGPOBSA-N 374.750 2.613 30 50 FFEA CC1(C)CC(=O)C2=C(C1)Nc1nc(O)nc(O)c1[C@H]2c1ccc(O)cc1 18209596 AYYDPOCMDNXSJO-ZDUSSCGKSA-N 353.378 2.794 30 50 FFEA biogenic CN1C=CC(=C(O)C(C(=O)c2ccccc2)=C2N=c3ccccc3=N2)C=C1 198751159 QTXAYOYGIBQNKP-UHFFFAOYSA-N 355.397 2.819 30 50 FFEA Cc1nnc(-c2ccncc2)n(/N=C/c2ccc(Br)cc2)c1=O 5723973 DWPRGBGLLZZZCH-VXLYETTFSA-N 370.210 2.653 30 50 FFEA C=CCN1C(=O)COc2ccc(NC(=O)Cc3ccc(OC)cc3)cc21 12223658 QJWPFUCZWBUXHA-UHFFFAOYSA-N 352.390 2.788 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H](CCc2ccc(OC)cc2)C(=O)O)N=N1 2325901183 XEMHWWBZXSLJPT-INIZCTEOSA-N 357.410 2.553 30 50 FFEA N#CC1CCN(Cc2ccccc2OCCCCN2CCOCC2)CC1 215518570 FKLNRUFOKPGDQP-UHFFFAOYSA-N 357.498 2.913 30 50 FFEA CCOC(=O)c1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)nn1C 651411 WXOVBJDPOKOEOS-UHFFFAOYSA-N 358.423 2.661 30 50 FFEA Cc1ccc2[nH]c3c(=O)n(N=Cc4ccc(N(C)C)cc4)c(O)nc3c2c1 253532943 FZHGVBXPZXROKU-UHFFFAOYSA-N 361.405 2.840 30 50 FFEA N#Cc1ccc(-c2n[nH]c3c2CN(C(=O)/C=C/c2cccnc2)CC3)cc1 23367004 NLTQZOVXKWWQNT-VMPITWQZSA-N 355.401 2.941 30 50 FFEA CCCc1c(C)nn(C(=O)/C(C#N)=N/Nc2ccccc2[N+](=O)[O-])c1C 4085226 BAUWXBLOCHWLKQ-HMMYKYKNSA-N 354.370 2.993 30 50 FFEA COc1ccccc1-n1cc([C@@H](C)NC(=O)N2CCC(C#N)CC2)cn1 534675679 OORWQVYHVDFGPD-CQSZACIVSA-N 353.426 2.887 30 50 FFEA N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)c(F)c1 1857730645 YBYMAWGUMHUJEK-FUHIMQAGSA-N 365.408 2.642 30 50 FFEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1ccccc1)C2 20908922 OEQDMQOSRSZTPP-SFHVURJKSA-N 364.493 2.952 30 50 FFEA CCN1C[C@H](C)N(/C(O)=N/[C@H]2CCO[C@@H]2c2ccnn2C(C)C)C[C@H]1C 329419506 DZQHLAKXNORHDP-CVYDXHPNSA-N 363.506 2.623 30 50 FFEA N#C[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 245246394 KGMZQFPVYSDMGT-HCXYKTFWSA-N 359.360 2.865 30 50 FFEA COc1cc(C(=O)O)cc(-c2cccc(C(=O)N3CCC(C#N)CC3)c2)n1 584895739 KXISHAOTPMYERV-UHFFFAOYSA-N 365.389 2.831 30 50 FFEA CCc1nnc2ccc(N3CCN(c4ccc(C#N)cc4Cl)CC3)nn12 277806488 HNIHIARUFARNSL-UHFFFAOYSA-N 367.844 2.538 30 50 FFEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](N(C)Cc1ccco1)C2 14747634 NNCJMYRTQQSCQX-INIZCTEOSA-N 368.481 2.887 30 50 FFEA N/C(=N\OC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 16133832 MBKHKDXKSPDXMZ-UHFFFAOYSA-N 364.155 2.835 30 50 FFEA N/C(=N\c1nc(=O)c2c([nH]1)CCCC2)N1CCC(Cc2ccccc2)CC1 19819804 CNAJPHJUGSLXTO-UHFFFAOYSA-N 365.481 2.550 30 50 FFEA N#Cc1cnc2c(C(=O)N3CCc4cc(F)cc(Cl)c4C3)cnn2c1 2325827504 IHEJCSUTUKSCSG-UHFFFAOYSA-N 355.760 2.592 30 50 FFEA CCCCc1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2 22862684 IRFRZHWIPJRSBX-UHFFFAOYSA-N 372.513 2.891 30 50 FFEA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(Cc2ccc(C#N)s2)CC1 328631203 KGEKTCZNSIBEFI-KRWDZBQOSA-N 369.494 2.813 30 50 FFEA COc1ccc([C@@H](NC(=O)c2ccccc2C#N)[C@H]2C[C@@H](O)C2)cc1F 244748863 OPUJTEZXUCWBLC-ZRGWGRIASA-N 354.381 2.948 30 50 FFEA C=C(C)C(=O)Oc1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 824748 YEVPWPZVNJIVGS-UHFFFAOYSA-N 352.302 2.877 30 50 FFEA COc1ccc(F)cc1[C@H](C(=O)O)N1CCN(c2ccc(C#N)cc2)CC1 55310159 CZHZBEVVGPUQKB-LJQANCHMSA-N 369.396 2.654 30 50 FFEA C=CCOc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1OCC 14009283 XMXTUQLAIUNHFM-YRNVUSSQSA-N 367.199 2.593 30 50 FFEA CCOC(=O)c1nc([C@H](C#N)c2nc3ccccc3n2C)ncc1Cl 642523 RJAYVDFUESYFCN-JTQLQIEISA-N 355.785 2.849 30 50 FFEA C#CCn1c(=O)c(CN(C)CCn2cccn2)cc2ccc(Cl)cc21 12080007 WECFLJFPSHWMPJ-UHFFFAOYSA-N 354.841 2.617 30 50 FFEA Cc1ccc(-c2nc(SCC(=O)NC3CCCC3)[nH]c(=O)c2C#N)cc1 5239082 YSXSRRNXFHMUHI-UHFFFAOYSA-N 368.462 2.768 30 50 FFEA CSC1=N/C(=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)S1 2873977 WMJWTGGSUNLULG-WDZFZDKYSA-N 351.405 2.871 30 50 FFEA C=CCNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 2985983 FNWPARIRHQPXTM-UHFFFAOYSA-N 372.490 2.797 30 50 FFEA C#CCOc1cc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)ccc1OC 1529168035 UIIBKIPYFOAPDH-QGFMHUBQSA-N 370.493 2.898 30 50 FFEA CCOC(=O)c1sc2ncn(/N=C/c3ccc(O)cc3)c(=O)c2c1C 940896 OXAUNJUJMMASLP-UFWORHAWSA-N 357.391 2.531 30 50 FFEA COc1ccc(/C=N/NC2=NC(=O)[C@H](c3ccccc3)S2)cc1OC 5670825 JHRSGCHCESKDJE-ZVCOJXFSSA-N 355.419 2.998 30 50 FFEA O=C(C[C@H]1CCOC1)N1CCOc2c(N=C(O)C[C@H]3CCOC3)cccc21 328906765 LAEVKBMXIHXFBN-HUUCEWRRSA-N 374.437 2.853 30 50 FFEA CC(C)[C@@H]1CN(C(=O)c2ccc(Br)cc2C#N)CCN1C 451375913 NMIFKARIOCBXFQ-HNNXBMFYSA-N 350.260 2.733 30 50 FFEA COC(=O)[C@@H]1C/C(=C\B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 1857781296 GDMXNLWKFLYMSO-XSNHNAGMSA-N 367.251 2.727 30 50 FFEA CC1(C)OB(c2ccc(NS(=O)(=O)c3ccccc3)cc2)OC1(C)C 196261714 RGUJJINDBXNBSY-UHFFFAOYSA-N 359.256 2.787 30 50 FFEA N#Cc1ccc(CN2CC[C@@]3(CCCN(C4CCOCC4)C3=O)C2)cc1 91548214 IFVRCWDLRFLTMZ-NRFANRHFSA-N 353.466 2.552 30 50 FFEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1 19582273 PNSUOVGSXPPIAE-KRWDZBQOSA-N 354.406 2.810 30 50 FFEA C#CCCC1(CCC(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)N=N1 2325892333 JLTMFXXQYDWMSF-QGZVFWFLSA-N 368.437 2.578 30 50 FFEA N#Cc1cc2c(=O)n(C[C@H](c3ccccc3)N3CCCCC3)ccc2[nH]c1=O 67674764 QGYYHDWYRMRLGL-HXUWFJFHSA-N 374.444 2.789 30 50 FFEA N#Cc1ccc(Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)cc1 263618039 QZAPGYMBTMHAAL-UHFFFAOYSA-N 356.385 2.575 30 50 FFEA N#Cc1nnc2ccccc2c1N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O 1875399515 YSTSDEATGKXEJN-RGYTYGDFSA-N 368.828 2.603 30 50 FFEA Cc1cc(C#N)nc(N[C@H]2CCCCN(C(=O)c3cnsc3C)C2)n1 1875359646 LPEZZCPWNGEOOO-ZDUSSCGKSA-N 356.455 2.528 30 50 FFEA C=CCOc1c(Cl)cc(CN2CC[C@H](C(=O)NCC)C2)cc1OC 55199737 LHSDXZPQVYFSRE-AWEZNQCLSA-N 352.862 2.871 30 50 FFEA C=CCNC(=O)Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O 77428898 ONRUSLVSQNJFPD-UHFFFAOYSA-N 368.824 2.657 30 50 FFEA C=CCNC(=S)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 17075496 QQWMAFIPUVXNFS-OKILXGFUSA-N 367.540 2.826 30 50 FFEA CCOC(=O)/C(Cl)=N/Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 199690864 OKDHYVRJTXWXKN-MOSHPQCFSA-N 352.627 2.513 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H](CCOCc2ccccc2)C(=O)O)N=N1 2325900855 LXJABRVOKLPPDN-INIZCTEOSA-N 357.410 2.518 30 50 FFEA C#CCCC1(CCC(=O)N2CCc3c(ccc(F)c3F)[C@H]2C(=O)O)N=N1 2325901201 XYLVGTPDGMKMFL-INIZCTEOSA-N 361.348 2.831 30 50 FFEA O=C(c1ccc(N=C(O)c2cccs2)cc1)N1CCN2C(=O)CC[C@H]2C1 328983518 SMGABNNKGFVJPQ-HNNXBMFYSA-N 369.446 2.831 30 50 FFEA N#Cc1ccc(CN2CCN(/C(O)=N/C3Cc4ccccc4C3)CC2)cc1 329536968 BICQTQYEVPMIDQ-UHFFFAOYSA-N 360.461 2.757 30 50 FFEA C=C(C)COc1ccc(C(=O)N[C@H](C2CCNCC2)[C@H]2C[C@H](O)C2)cc1 244884060 YEKQMAYGSMAJJA-QWFCFKBJSA-N 358.482 2.510 30 50 FFEA CCN(CC)c1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 252428766 ZJFAFNLKQZZYEM-UQGUQNKWSA-N 363.461 2.920 30 50 FFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1coc2ccccc2c1=O 861553 IGAOYYLTQWQZOH-GOSISDBHSA-N 365.385 2.934 30 50 FFEA C=CCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 2960923 WQQHFXROBQOMDU-UHFFFAOYSA-N 358.463 2.801 30 50 FFEA CC(C)(C#N)c1ccc(C(=O)NCCNC(=O)Cc2ccc(F)cc2)cc1 225418417 MVEXESFZCZIPSM-UHFFFAOYSA-N 367.424 2.716 30 50 FFEA COc1ccccc1N1CCN(/N=C/c2cccc(OC)c2OC)CC1 946032 ABIMFTSVERONFG-RCCKNPSSSA-N 355.438 2.869 30 50 FFEA N#CCCC[C@@H](N)C(=O)N1CCC(c2nccc(-c3ccccc3)n2)CC1 952894950 PSMMHKIWIFMEIH-GOSISDBHSA-N 363.465 2.871 30 50 FFEA CCOC(=O)c1cnc(C#Cc2ccc3c(c2)C(C)(C)CC[S@]3=O)nc1 1772820532 LLMDAYVUHYVJSS-AREMUKBSSA-N 368.458 2.842 30 50 FFEA C=CCOc1ccccc1CN(CC)C(=O)c1cccc(-n2cnnc2)n1 55342025 CXENVVKUKOBVBM-UHFFFAOYSA-N 363.421 2.889 30 50 FFEA N#Cc1ccccc1N1CCN(C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)CC1 123303786 ODTJIOLUSBKPSX-KCZVDYSFSA-N 372.472 2.976 30 50 FFEA CCN(CC)c1ccc(/C=N/N2CCN(c3ccccn3)CC2)c(O)c1 15658606 LATNZNGZFSHVLP-CJLVFECKSA-N 353.470 2.790 30 50 FFEA Cc1nc2c([nH]1)[C@H](C(=O)N1CCO[C@H](c3cccc(C#N)c3)C1)CCC2 2325806340 ILWZFGQTTIUWSQ-AEFFLSMTSA-N 350.422 2.610 30 50 FFEA CSc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 1070852 ZZWVKJAQWWDWKH-CQSZACIVSA-N 357.395 2.930 30 50 FFEA COC(=O)CSCCC(O)=Nc1c(-c2nc3ccccc3[nH]2)cnn1C 328596544 BKDVRMVZRDMCIE-UHFFFAOYSA-N 373.438 2.848 30 50 FFEA CNC(=O)CCC(C)(C)NC(=O)c1ccc(-c2cccc(C#N)n2)cc1 426490534 KLQXDTWJLXOUKX-UHFFFAOYSA-N 350.422 2.655 30 50 FFEA Cc1ccn2cc(CN3CC(=O)N(c4ccccc4C#N)C[C@@H]3C)nc2c1 426618628 ZOGZZZLRDDIYHN-INIZCTEOSA-N 359.433 2.752 30 50 FFEA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccc(C#N)nc2)CC1 1704302973 GMPVPUVOEHLWFV-UHFFFAOYSA-N 363.417 2.666 30 50 FFEA N#Cc1ccccc1NS(=O)(=O)c1ccc(N2CCCCC2=O)cc1 11906608 ATSTVUVRAOMVAS-UHFFFAOYSA-N 355.419 2.876 30 50 FFEA N#Cc1ccccc1Oc1ccc(NC(=O)N(CCO)CCCO)cc1 267543089 AVEARHZLBFBBOT-UHFFFAOYSA-N 355.394 2.559 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)o1 952980180 VTFRWICZAGOLEO-UHFFFAOYSA-N 366.461 2.928 30 50 FFEA C=CCN(C(=O)CC12CC3CC(CC(C3)C1)C2)[C@@H]1CCS(=O)(=O)C1 55244777 SSDFRMUYBIRJKE-YMVOSSCXSA-N 351.512 2.795 30 50 FFEA N#Cc1cc(I)c(F)c(I)c1 71793126 RINOSOPSOGJEKI-UHFFFAOYSA-N 372.906 2.907 30 50 FFEA Cc1cc(C(=O)N2CC(=O)N(c3ccccc3C#N)C[C@H]2C)ccc1F 82126754 VOIIMGNUDGWHQA-CQSZACIVSA-N 351.381 2.883 30 50 FFEA Cc1cc(C)c(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(C)n1 299784113 SILJYEDRIZVQLZ-UHFFFAOYSA-N 350.426 2.628 30 50 FFEA Cn1ccc(N2CCC[C@H](Nc3ccc(C#N)c(C(F)(F)F)c3)C2=O)n1 170642995 CQJXULXHWIMETC-AWEZNQCLSA-N 363.343 2.918 30 50 FFEA C=CCNC(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 15073657 SWMUFIKCLHINFA-IBGZPJMESA-N 363.408 2.675 30 50 FFEA N#Cc1cccc(C(=O)N2CCNC(=O)[C@@H]2c2c(F)cccc2Cl)c1 375174336 GDLNPQVXVXUOQJ-INIZCTEOSA-N 357.772 2.664 30 50 FFEA O=C1C[C@@H](C(=O)Nc2ccccc2)C2=C(C[C@H](c3ccco3)CC2=O)N1 100129517 WVXMFPBHRRHFRF-GXTWGEPZSA-N 350.374 2.755 30 50 FFEA N#Cc1cc2n(n1)CCCN(C(=O)CCSCc1ccc(F)cc1)C2 65494523 FEBOAZOKVMXFRX-UHFFFAOYSA-N 358.442 2.950 30 50 FFEA N#Cc1cccc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 71764752 FEJDWYURQHZYMN-IBGZPJMESA-N 366.509 2.513 30 50 FFEA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(c1cnc(C#N)cn1)CC2 275672079 LRGNWLGUXYRZBO-QGZVFWFLSA-N 367.478 2.817 30 50 FFEA Cc1csc(/C(O)=N/C2CCN([C@H]3CCN(C)C3=O)CC2)c1Cl 329159997 DZZUSJNHQZSDCR-LBPRGKRZSA-N 355.891 2.710 30 50 FFEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)/C(O)=N/C[C@@H]1CCCCO1 328636915 VUELODNFOUYZAR-STQMWFEESA-N 374.407 2.879 30 50 FFEA Cc1c(/C(O)=N/[C@@H](C)c2nnc3ccccn23)cnn1C1CCOCC1 329013177 FGCZGZRGIOHFFD-LBPRGKRZSA-N 354.414 2.652 30 50 FFEA C=CCN1C[C@H](C)N(C(=O)c2ccc(-c3cncc(O)n3)cc2)C[C@@H]1C 1565529053 SXGIAAGHQILTOV-GJZGRUSLSA-N 352.438 2.570 30 50 FFEA C=CCC(O)(CC=C)CNC(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12705833 NFAWGRMLYKDFHW-GOSISDBHSA-N 362.514 2.805 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc(N3CC[C@H](N(C)C)C3)cn2)N=N1 2325892223 FMIHORGWGJZPTM-INIZCTEOSA-N 354.458 2.516 30 50 FFEA CCOC(=O)C1=CNC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1C(=O)OCC 1234010 ZJZZBNOAXKVDHI-KDOFPFPSSA-N 369.417 2.617 30 50 FFEA Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=N/n1cnnc1 2971068 PUAJMJDQNUKXNA-SRZZPIQSSA-N 367.365 2.835 30 50 FFEA O/C(=N/[C@@H]1CCO[C@]2(CCOC2)C1)N1CC[C@H](Cc2ccc(F)cc2)C1 329157808 WMFLIMIYXZNFNS-YVWKXTFCSA-N 362.445 2.942 30 50 FFEA Cc1nn(CCC(=O)O)c(C)c1-c1cc(-c2cccnc2)c(C#N)c(N)n1 71765076 SWBZHUIJOKQQBL-UHFFFAOYSA-N 362.393 2.553 30 50 FFEA N#Cc1c(N)nc2c(c1-c1ccc(CO)o1)CN(c1ccccc1F)CC2 72149452 VFCXOOJTKLSFSR-UHFFFAOYSA-N 364.380 2.990 30 50 FFEA N#CC1CCN(C(=O)c2cccc(-c3ccc(CO)cc3CO)c2)CC1 299792109 DHWSWDBYPQTNTG-UHFFFAOYSA-N 350.418 2.714 30 50 FFEA COc1ccc([C@H]2CN(Cc3ccc(C#CCO)s3)C[C@@H]2N(C)C)cc1 1565511063 YOSOLZFVRVWBHB-RTWAWAEBSA-N 370.518 2.630 30 50 FFEA N#Cc1cccc(CS(=O)(=O)NC(=O)[C@H]2SCCc3ccccc32)c1 170645645 NLTVOINOCNDQKV-KRWDZBQOSA-N 372.471 2.535 30 50 FFEA N#Cc1cc(CN2CCC[C@]3(CO)CCN(Cc4ccsc4)C[C@@H]23)c[nH]1 1704328535 KQWULMDWRBLEDN-WOJBJXKFSA-N 370.522 2.797 30 50 FFEA C=CCC(=O)NCc1cccnc1N1CCN(c2ccccc2OC)CC1 12435935 LTUZEGFONMUBRM-UHFFFAOYSA-N 366.465 2.609 30 50 FFEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(c2ccnc(C(=O)O)c2)C1 1875244042 JOQGRJORWIQWAK-OAHLLOKOSA-N 367.405 2.955 30 50 FFEA C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C 2555335 BWTMTZBMAGYMOD-UHFFFAOYSA-N 370.192 2.986 30 50 FFEA in-vitro C#CCCC1(CCC(=O)NC[C@@H](Cc2ccccc2F)C(=O)OC)N=N1 2325892203 DUBFOCGZQHPWAM-OAHLLOKOSA-N 359.401 2.629 30 50 FFEA C=CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 4828651 WKNSCCLJZLDLQA-KRWDZBQOSA-N 358.463 2.543 30 50 FFEA Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C#N)cc2)cc1C 9295419 QIBBSSBDIWJXQV-UHFFFAOYSA-N 364.434 2.882 30 50 FFEA C[C@@H]1C[C@H]2O[C@@H]2/C=C/C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 45789132 WYZWZEOGROVVHK-VVZWKAEDSA-N 364.781 2.692 30 50 FFEA in-vitro C=CCC(=O)N(CCN(C)C)C[C@@H]1CCCN(Cc2ccccc2OC)C1 15079087 ABGZZNMOGQBHMD-LJQANCHMSA-N 373.541 2.874 30 50 FFEA Cc1ccc(Cc2cnc(N=C(O)N3CC(=O)N(C)C3)s2)cc1Cl 329295333 JZGWOEJBLXVACQ-UHFFFAOYSA-N 364.858 2.973 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1OC 4906472 YFBMHKIYBQOATJ-GOSISDBHSA-N 367.401 2.920 30 50 FFEA N#CC1CN(S(=O)(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)C1 2325820288 MFSPPBIAMGQSCM-UHFFFAOYSA-N 374.293 2.748 30 50 FFEA C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(Br)c1 4263692 OCLVMKCGPWMXHB-ZDUSSCGKSA-N 351.200 2.806 30 50 FFEA O=[N+]([O-])c1ccccc1N/C(O)=N/S(=O)(=O)c1ccccc1Cl 4011760 MYNUJXLGBFOMRN-UHFFFAOYSA-N 355.759 2.963 30 50 FFEA O=C1N/C(=N\N=C\c2ccccc2F)S[C@H]1Cc1ccccc1[N+](=O)[O-] 5005612 LNJYSCXFJAIDQB-RPJLVFAOSA-N 372.381 2.898 30 50 FFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OC)c1OC 636792 RWBGWTAORJVYSI-QGZVFWFLSA-N 357.406 2.845 30 50 FFEA C=CC(=O)Nc1cccc(C(=O)N[C@H]2[C@@H](C#N)CCC23CCOCC3)c1 1875367831 QLCORILICYYFLR-QAPCUYQASA-N 353.422 2.640 30 50 FFEA Cc1ccc(S(=O)(=O)C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 169904564 YCNPSGDEXSAHSO-UHFFFAOYSA-N 350.167 2.588 30 50 FFEA in-vitro COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)cc2O)cc1OC 1475987 BACWXPSYWMKGCS-GIJQJNRQSA-N 372.406 2.918 30 50 FFEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 19582782 MQSHNSQPXYWMOG-GOSISDBHSA-N 368.408 2.966 30 50 FFEA OCC#Cc1csc(CN[C@H]2CCCN(C3Cc4ccccc4C3)C2)c1 19792716 QPMAXEJNRAJVKM-FQEVSTJZSA-N 366.530 2.813 30 50 FFEA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1ccc(C#N)cc1)C2 216411271 BSJSPBQEFDQQSB-MOPGFXCFSA-N 364.449 2.786 30 50 FFEA N#Cc1ccc(N2CC[C@@H](C(=O)N3CCCc4ncccc43)C2)c(F)c1 329254876 CMVCLHWJSDEHNH-OAHLLOKOSA-N 350.397 2.898 30 50 FFEA CCN(CC)C(=O)c1cn(CCC#N)nc1-c1ccc2c(c1)OCCO2 3354165 LKBSWCGQGGOCQP-UHFFFAOYSA-N 354.410 2.717 30 50 FFEA COc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccccc2)cc1 6786524 BSYGDHMKMNVSIX-SFHVURJKSA-N 367.401 2.656 30 50 FFEA biogenic CCN(CC)[C@@H](Cn1ccc2nc(O)c(C#N)cc2c1=O)c1ccco1 67673882 WXJKMIMOKWYQBQ-INIZCTEOSA-N 352.394 2.650 30 50 FFEA Cc1c(C(=O)[C@@H](C#N)c2ccc(F)cn2)cnn1CCO[C@H]1CCCCO1 131145204 AQPHPVRLHRLJNA-YJBOKZPZSA-N 372.400 2.759 30 50 FFEA Cc1cc(-c2cccc(C(=O)N[C@@H](C)Cn3cncn3)c2)nc(C)c1C#N 584890273 LAOZZFRTSATIJJ-AWEZNQCLSA-N 360.421 2.647 30 50 FFEA C=C(CCC#N)CNCC1(N2CCN(c3ccccc3)CC2)CCOCC1 2325764587 XIKBLGWCWVFYTM-UHFFFAOYSA-N 368.525 2.807 30 50 FFEA COCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@H]2c1cccc(C#N)c1 65393997 RAGLOCBPSZRCCF-AWEZNQCLSA-N 365.389 2.626 30 50 FFEA C[C@H](/N=C(/O)N1CC[C@H](c2nccn2C)C1)[C@@H]1OCCc2sccc21 330272351 XMYRGPLXBDXKGL-XEZPLFJOSA-N 360.483 2.887 30 50 FFEA N#Cc1ccc(Cn2ccn3nc(-c4cccc(F)c4)c(CO)c3c2=O)cc1 263617954 QPSIAVUFXRYSFM-UHFFFAOYSA-N 374.375 2.714 30 50 FFEA CC(=O)NCc1ccc(-c2cccc(C(=O)N3CCC[C@@H](C#N)C3)c2)nc1 299801904 YMFJMSIDTNIQMP-INIZCTEOSA-N 362.433 2.760 30 50 FFEA N#Cc1ccc(N2CCC(C(=O)NC3([C@H]4CCOC4)CC3)CC2)c(F)c1 1875302248 GZQJOLIEXWLILI-INIZCTEOSA-N 357.429 2.599 30 50 FFEA C=CCN(Cc1ccccc1C)S(=O)(=O)N1CCC(COC)CC1 952961208 XVIHEXBORVPILM-UHFFFAOYSA-N 352.500 2.586 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)NCC2(O)C3CC4CC(C3)CC2C4)c1 952968788 LONNLSRNMBDQBB-UHFFFAOYSA-N 367.489 2.726 30 50 FFEA COc1cc(C(=O)N(C)Cc2nc(O)c3sccc3n2)cc(F)c1C#N 2325878963 CLRCBDZWABRQLH-UHFFFAOYSA-N 372.381 2.688 30 50 FFEA Cc1cc(N2CCC[C@H](N(C)Cc3noc(C)n3)CC2)c(C#N)c(C)n1 328633415 LYQLTXHPSFDHBY-INIZCTEOSA-N 354.458 2.752 30 50 FFEA C[C@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)c1ccc2c(c1)CCC2 82120757 PPTUFBLAWPWWLE-HNNXBMFYSA-N 359.429 2.924 30 50 FFEA C[C@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)Cn1ccc2ccccc21 426515472 DAUVSVQLJLDDSP-INIZCTEOSA-N 372.428 2.777 30 50 FFEA CN(C)Cc1cc(O[C@@H]2CCN(Cc3cc(C#N)ccc3F)C2)ccn1 886096649 MZCMUVKRMCIJGY-LJQANCHMSA-N 354.429 2.807 30 50 FFEA Cc1cc(F)cc2c(=NC[C@@H]3CCO[C@H]3c3ncc[nH]3)c(C#N)c[nH]c12 888078047 GZUOQDRIPVPJQN-KPZWWZAWSA-N 351.385 2.889 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(O)cc1 17147585 PCYCQCWBPMSDPM-SFHVURJKSA-N 367.401 2.925 30 50 FFEA O/C(=N/CCOC1CCCCC1)N1CCN(Cc2cscn2)CC1 328845638 XINXKLHOJOMQFK-UHFFFAOYSA-N 352.504 2.524 30 50 FFEA O/C(=N/[C@@H](CN1CCOCC1)c1ccccc1)c1cn2c(n1)CCCC2 328733471 XZTWKJPXAQODHU-KRWDZBQOSA-N 354.454 2.598 30 50 FFEA N#Cc1cc(N[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)ccc1C(F)(F)F 367756966 JFZLRVGZKRMJRP-IIAWOOMASA-N 353.344 2.815 30 50 FFEA O/C(=N/[C@@H]1CCN(c2c(F)cccc2F)C1)c1c[nH]nc1[C@@H]1CCOC1 330318590 CMFNOEKNDQKWPS-VXGBXAGGSA-N 362.380 2.775 30 50 FFEA Cc1nnc([C@@H]2CC23CCN(C(=O)c2c(F)cc(C#N)cc2F)CC3)o1 370338114 YTZMFESQNJYWDO-LBPRGKRZSA-N 358.348 2.938 30 50 FFEA COc1cccc([C@@H]2O[C@@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@@H]3C)c1OC 226964529 HMNONSNRPYFUCY-WNJVKZLLSA-N 366.377 2.678 30 50 FFEA O/C(=N/C[C@@H]1Cc2ccccc2O1)N1CCC[C@@](O)(C(F)(F)F)CC1 329231561 FHSZXOFJJZMZEG-BBRMVZONSA-N 358.360 2.683 30 50 FFEA N#Cc1ccc(C(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)c(F)c1 2100547533 JVVZPZVKAJIZCH-YLJYHZDGSA-N 365.408 2.595 30 50 FFEA COc1ccc(Br)c(CN(C)C(=O)C2(C#N)CCOCC2)c1 331000705 VWUQDCSQCKRVHB-UHFFFAOYSA-N 367.243 2.736 30 50 FFEA C[C@H]1CC[C@H](/N=C(/O)N2CCO[C@@H](c3ccnc(N4CCCC4)n3)C2)CC1 328619787 GFFWQYFPDGSLQT-JFIYKMOQSA-N 373.501 2.943 30 50 FFEA C=CCn1c(SCC(=O)OCC)nc2sc3c(c2c1=O)CCC3 2240012 SKRMEAJPHICLHG-UHFFFAOYSA-N 350.465 2.788 30 50 FFEA CC(C)(O)C#Cc1ccc([C@H]2CC(=O)NCc3nc4ccccn4c32)s1 65527637 JGDQANCLOYSNNS-CQSZACIVSA-N 365.458 2.670 30 50 FFEA Cc1ccc(N=C(O)C2CCN(C(=O)[C@H]3CCn4cncc4C3)CC2)nc1 329381655 QKHYTYJMUYSRFF-INIZCTEOSA-N 367.453 2.676 30 50 FFEA N#Cc1cc(N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)ccc1C(F)(F)F 367756967 JFZLRVGZKRMJRP-IJEWVQPXSA-N 353.344 2.815 30 50 FFEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2ccncc2Cl)cc1 218916940 VREZCYQLGPNNEI-IAGOWNOFSA-N 357.797 2.573 30 50 FFEA CO[C@@]12CC[C@@H](NC(=O)CSC)C[C@@H]1N(Cc1ccccc1C#N)CC2 534577753 OCJMYNACXUXPHV-WSTZPKSXSA-N 373.522 2.549 30 50 FFEA N#Cc1cccc(NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 32601815 IHFLLUPKHOLSSW-UHFFFAOYSA-N 364.405 2.637 30 50 FFEA CCOC(=O)CC(=O)CSc1nc(C)cc(-c2cccnc2)c1C#N 37867499 FGHFJKISBDAIBF-UHFFFAOYSA-N 355.419 2.938 30 50 FFEA CSC[C@@H](C)N/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1csc(C)n1 328635831 NQNGPVGELKFDOH-OSMZGAPFSA-N 360.524 2.619 30 50 FFEA C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4C[C@@H](C)O[C@H](C)C4)[C@H]3[C@H]3O[C@]132 252693033 ADDHZWLTSYXUMP-LMHGZPEQSA-N 363.498 2.621 30 50 FFEA biogenic N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)Cc2ccccc2F)cc1 1565516642 XHNSSDUTKSOIBV-OALUTQOASA-N 354.381 2.593 30 50 FFEA Cc1cc(C)cc(/N=C(\O)[C@@H]2CC(=O)N=C(NCc3ccccc3)N2)c1 2342972 ZUMLFAQLRIIIPZ-KRWDZBQOSA-N 350.422 2.926 30 50 FFEA C=CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)N(CCC)CC2CC2)c1=O 11909711 KKDMPKPFBLKWRI-HNNXBMFYSA-N 373.497 2.997 30 50 FFEA Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1 17139043 NTCQKYPCXHNSSY-GOSISDBHSA-N 365.433 2.530 30 50 FFEA COc1cccc([C@H]2O[C@@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@H]3C)c1OC 137641556 HMNONSNRPYFUCY-JKIJHMCWSA-N 366.377 2.678 30 50 FFEA Cc1nc(C)c(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C#N)cc2)s1 220081565 YGFOANHLVMPMCI-HZPDHXFCSA-N 357.435 2.598 30 50 FFEA Cn1cc(CN[C@H]2CCN(c3ccccn3)C2)c(-c2ccc(C#N)cc2)n1 180341724 KHZSUTNWMBCUIF-IBGZPJMESA-N 358.449 2.722 30 50 FFEA C=C[C@](C)(O)C(=O)N1Cc2cnn(-c3ccc(F)cc3)c2CC(C)(C)C1 952891276 CZFVFRYFNXOFSM-FQEVSTJZSA-N 357.429 2.859 30 50 FFEA CCOc1ccc(C(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)cc1OCC 5013677 HZILNALUTKQEHA-UHFFFAOYSA-N 373.365 2.870 30 50 FFEA Cc1cnn(Cc2ccccc2F)c1NC(=O)Cc1noc(C)c1C#N 470563583 IDPIKSSHRLMSSS-UHFFFAOYSA-N 353.357 2.728 30 50 FFEA O=C(Cc1cccs1)N1CCC[C@H]1C(O)=Nc1ncc(CCO)s1 328591827 PVKIZGBPSZMKHN-ZDUSSCGKSA-N 365.480 2.561 30 50 FFEA C=C(Cl)COC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)n1nnc2ccccc21 252430976 WWKVRJPSDCXLQD-RKLWJJNISA-N 357.797 2.806 30 50 FFEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccc1F 19808029 SVRHGSYHHZAPCX-INIZCTEOSA-N 358.369 2.559 30 50 FFEA C#CCCC1(CCNC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)N=N1 2325890944 FZOMFHXODICVTF-AWEZNQCLSA-N 374.388 2.673 30 50 FFEA N#Cc1ccc(CN2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cc1 2356151376 GEHZAFCEFCKPJU-ONTIZHBOSA-N 367.493 2.819 30 50 FFEA C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@]12C(=O)N(C)c1ccccc12 2887173 LITFXDJTTNGNEN-JOCHJYFZSA-N 372.380 2.655 30 50 FFEA Cc1cccc(CNC(=O)c2c(O)c3ccccc3n(CCC#N)c2=O)c1 170624783 UFVOAPHLLILNCK-UHFFFAOYSA-N 361.401 2.859 30 50 FFEA CC1(C)OB(c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)OC1(C)C 169905116 DTZHLMQGRNHOET-UHFFFAOYSA-N 370.516 3.000 30 50 FFEA in-vitro CC[C@@H](C(=O)Nc1ccc(CC#N)cc1)N(c1ccccc1)S(C)(=O)=O 13711275 ZBOJBAQEXDEMKM-SFHVURJKSA-N 371.462 2.936 30 50 FFEA N/C(=N\OC(=O)c1ccc2c(c1)OCO2)c1ccc(Br)cc1 18093488 PXDYSWGYXBLZMD-UHFFFAOYSA-N 363.167 2.655 30 50 FFEA C=CCn1nc(C(=O)OCC)c2c1CCN(Cc1cccc(OC)c1)C2 14741537 KCQKKZQKHDEDRL-UHFFFAOYSA-N 355.438 2.813 30 50 FFEA C=CCn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccncc1 9426929 IZUVPXNBBDCMRX-UHFFFAOYSA-N 367.434 2.963 30 50 FFEA C=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)N3CCCC3)nc2c1=O 72432319 ZGWKFHNKQHZABU-UHFFFAOYSA-N 366.421 2.795 30 50 FFEA Cc1ccsc1-c1c(C#N)c(N)nc2c1CN(C(=O)[C@H]1CCCO1)CC2 71771268 OSWMQTPYCIVTSK-OAHLLOKOSA-N 368.462 2.636 30 50 FFEA CN(C)CCCn1ccnc1C1CCN(C(=O)c2cccc(C#N)c2)CC1 95385062 CZHZSEKCXKKZGV-UHFFFAOYSA-N 365.481 2.726 30 50 FFEA C[C@H](c1ccccc1Cl)N1CCN(C(=O)C2(C#N)CCOCC2)CC1 109139301 JTWXMTBMBBNISS-OAHLLOKOSA-N 361.873 2.866 30 50 FFEA NC(=O)C1(N2CCCCC2)CCN(/C(S)=N/c2ccc(F)cc2)CC1 4574626 LOERDRAJGKDDBC-UHFFFAOYSA-N 364.490 2.549 30 50 FFEA N#CCc1ccc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 4728179 GFABVSBXGFWHEB-UHFFFAOYSA-N 352.785 2.698 30 50 FFEA C=CCOc1ccccc1C(=O)N1CCN([C@H](C)c2nc(CC)no2)CC1 112035385 RNDXWQPLNDFBHQ-OAHLLOKOSA-N 370.453 2.716 30 50 FFEA CSCc1ccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)o1 1565527056 BHUCVFIEFBVKMJ-WMZOPIPTSA-N 372.446 2.981 30 50 FFEA C=CCNC(=O)c1cccc(S(=O)(=O)NCCC[Si](C)(C)C)c1 225548810 LEWBDXNWTNJSAQ-UHFFFAOYSA-N 354.548 2.609 30 50 FFEA Cc1nc(N(C)C[C@@H]2CCN(c3ccccc3)C2)c(C#N)cc1C(=O)O 1529118179 FQOVKMKIHGRFQI-HNNXBMFYSA-N 350.422 2.923 30 50 FFEA COc1cc(OC)c(OC)cc1/C=N/n1c(S)nnc1-c1ccccn1 5432759 ZDJPBBOGAAIGBK-VXLYETTFSA-N 371.422 2.537 30 50 FFEA Cn1nc(-c2ccccc2)c(C#N)c1C(=O)N1Cc2ccccc2C[C@@H]1CO 2325827439 GDWFJQJAIOBIEX-GOSISDBHSA-N 372.428 2.518 30 50 FFEA C=CCn1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O 622996 TWLIDBVZRSMPHQ-UHFFFAOYSA-N 365.458 2.991 30 50 FFEA O/C(COc1cccnc1)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328622834 ISEMPPMASMDFBE-LLVKDONJSA-N 354.332 2.895 30 50 FFEA C[C@@H](OCC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1nccn1C 367916451 NTTICFKOWCCAGY-OAHLLOKOSA-N 350.422 2.685 30 50 FFEA C=CCC1(CC=C)CCCN1C(=O)C[C@H]1C(=O)NCCN1CCC(C)C 39371693 QCZKXEGTJHQGQC-SFHVURJKSA-N 361.530 2.736 30 50 FFEA C=CCN(CC(C)C)C(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71756977 SMXHZUHAXXAQER-KRWDZBQOSA-N 373.497 2.646 30 50 FFEA N#Cc1cccc(-c2cccc(C(=O)N3CCCN(C(=O)C4CC4)CC3)c2)n1 426488556 WLYRKSHZHQJMTD-UHFFFAOYSA-N 374.444 2.705 30 50 FFEA N#C[C@]12C(N)=NC3(OCCO3)[C@]1(C#N)[C@H]2c1cccc(Oc2ccccc2)c1 100196592 MQQOEURYPNQMQJ-YSIASYRMSA-N 372.384 2.667 30 50 FFEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1ccco1)C2 14741547 ZUDXGAWRLFZJKG-HNNXBMFYSA-N 354.454 2.545 30 50 FFEA Cc1ccc([C@@H]2OCCC[C@H]2/C(O)=N/[C@H]2CCS(=O)(=O)[C@H]2C)cc1 329243517 PCQVKLIMCBSSAF-ORQFMDKSSA-N 351.468 2.995 30 50 FFEA CCCn1cc(C(=O)N[C@@H](CNc2ncc(C#N)cc2F)CC(C)C)cn1 1875334099 XTVACLCKFZFAKL-MRXNPFEDSA-N 372.448 2.955 30 50 FFEA CCOC(=O)c1c(NC(=O)CC)sc2c1CCC/C2=N/OC(C)=O 15636563 KFMZGJQLDSNRRB-WQRHYEAKSA-N 352.412 2.877 30 50 FFEA Cc1ccc(C#N)c(N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)n1 67841838 URYJIRYHHLRBII-UHFFFAOYSA-N 360.421 2.520 30 50 FFEA CC(C)(O)C#Cc1ccc([C@@H]2CC(=O)NCc3nc4ccccn4c32)s1 65527635 JGDQANCLOYSNNS-AWEZNQCLSA-N 365.458 2.670 30 50 FFEA COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)n1Cc1ccc(OC)cc1 170008661 RDNZQAUXBFZNDF-UHFFFAOYSA-N 371.242 2.631 30 50 FFEA CC(C)c1ccc(C#N)c(N2CC[C@@H]3[C@@H](CCC(=O)N3CCCCO)C2)n1 72480787 ULWAXBVCVSZVRK-PKOBYXMFSA-N 370.497 2.666 30 50 FFEA C[C@H]1CN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)C[C@@H](C)O1 229992489 ZHQRYBIJOKTXQH-OVRLBIBNSA-N 363.498 2.623 30 50 FFEA biogenic C#CCCC1(CCC(=O)N[C@@H]2Cc3n[nH]cc3[C@H](C(F)(F)F)C2)N=N1 1875368829 RQPKFBJCXRMDHS-CMPLNLGQSA-N 353.348 2.842 30 50 FFEA C=CCNC(=S)N/N=C1\C(=O)N2c3c(cc(C)cc31)C(C)=CC2(C)C 1848442486 ZHTDVYJMWPQBBB-QNGOZBTKSA-N 354.479 2.891 30 50 FFEA C=CCCCS(=O)(=O)N1Cc2cnn(-c3ccccn3)c2CC(C)(C)C1 952892366 DCQGGDNKHFAWON-UHFFFAOYSA-N 374.510 2.948 30 50 FFEA CCN1CC[C@H](CN(CC)S(=O)(=O)c2ccc(C#N)cc2Cl)C1 952970789 TWRAPBZBRHOMNB-AWEZNQCLSA-N 355.891 2.564 30 50 FFEA Cc1nc2c([nH]1)[C@@H](C(=O)N1CCCN(c3ccccc3C#N)CC1)CCC2 2325805909 CMVVPCLJTDEHEN-KRWDZBQOSA-N 363.465 2.749 30 50 FFEA O=[N+]([O-])c1ccc(OCCOc2ccccc2/C=N/n2cnnc2)cc1 2958748 JLBNJZXUAQYQNE-RGVLZGJSSA-N 353.338 2.526 30 50 FFEA C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 4719177 KVDJZBDJGRRXPI-UHFFFAOYSA-N 363.351 2.512 30 50 FFEA COc1cc(OC)c(N2CC(=O)C(c3nc(C)cs3)=C2N)cc1Cl 13735240 HKYHBVVNJFVTDG-UHFFFAOYSA-N 365.842 2.839 30 50 FFEA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)Nc1cccc(C#Cc2ccccc2)c1 170608468 NOESCEDWHCGJKY-WOJBJXKFSA-N 359.429 2.829 30 50 FFEA C#CCCC1(CCC(=O)N2Cc3ccc(OC)cc3[C@H](C(=O)O)C2)N=N1 2325901167 WKLSGCWYCBHFGZ-MRXNPFEDSA-N 355.394 2.561 30 50 FFEA N#Cc1ncccc1S(=O)(=O)N1CCC(CCc2ccccc2)CC1 428250814 ZOGPGPMZMNJFOL-UHFFFAOYSA-N 355.463 2.987 30 50 FFEA CCC(C)(C)c1cc(-c2cnc(N3CCOCC3)nc2)c(C#N)c(N)n1 71747100 YSFGKHIWPJWVGV-UHFFFAOYSA-N 352.442 2.517 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 952979488 QCFOZENSYMQOMH-IBGZPJMESA-N 366.461 2.969 30 50 FFEA COCc1ccc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C#N)cc2)s1 1565531249 DFHOPUAPEJUGNK-IRXDYDNUSA-N 372.446 2.732 30 50 FFEA N#Cc1ccc(C(=O)N2CCC[C@]23CCCN(Cc2ccccc2)C3=O)cn1 2356164126 GFXRDAFDKBHEOE-QFIPXVFZSA-N 374.444 2.751 30 50 FFEA CC(C)c1n[nH]c2c1CN(C(=O)c1cccc(C#CC(C)(C)O)c1)CC2 67758667 QRYWDYOOKPQWMJ-UHFFFAOYSA-N 351.450 2.854 30 50 FFEA CN(CC(O)=Nc1nncs1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328634980 NAAOZTMWJMEPFQ-VIFPVBQESA-N 374.392 2.536 30 50 FFEA C=CCOc1cccc(C(=O)N2CCC[C@H](c3ccn(CC(=O)O)n3)C2)c1 426544392 NMCUHEFMZQEQEN-INIZCTEOSA-N 369.421 2.552 30 50 FFEA CCc1nc(C)c(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)s1 1565505964 QMTLCJOGTOHFOE-HOTGVXAUSA-N 371.462 2.852 30 50 FFEA COc1cc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)cc(OC)c1O 19791064 YKOHJTAMXQFELQ-HYARGMPZSA-N 369.465 2.870 30 50 FFEA CC1(C)OC2=C(C(=O)c3ccccc3C2=O)[C@H](NCc2ccccc2)[C@@H]1O 29134842 WKHJQIQDQXGUOD-UWJYYQICSA-N 363.413 2.648 30 50 FFEA biogenic,in-vitro COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC 4488867 VIGJXLBGOHSOIK-LBPRGKRZSA-N 359.422 2.959 30 50 FFEA CC(C)C[C@H](C/N=C(/O)N1CCCC2(CCOCC2)C1)N1CCOCC1 329777222 OVLAETMCHLFROP-GOSISDBHSA-N 367.534 2.540 30 50 FFEA C=CCn1ncc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)c1C 91808343 IDJVLSOBHHPNEW-YLJYHZDGSA-N 365.481 2.509 30 50 FFEA C=CCN1C[C@H](C(=O)NCc2cccnc2Oc2ccccc2)CC1=O 11753539 GQYHLAQYNQONDT-MRXNPFEDSA-N 351.406 2.525 30 50 FFEA C#CCCC1(CCC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)N=N1 2325886412 WJOWFGNRQYZYCE-HKUYNNGSSA-N 353.470 2.889 30 50 FFEA COc1ccc([C@@]2(C#N)C[C@@H]3NCCN=C3CN2Cc2ccccc2)cc1 22576569 GMTZLFQZPBBABA-UNMCSNQZSA-N 360.461 2.733 30 50 FFEA Cc1ccc(N2CCC[C@H](N/C(O)=N/Cc3ncc(C(C)(C)C)o3)C2)nn1 329273616 JBJKNOMXOBULKQ-AWEZNQCLSA-N 372.473 2.743 30 50 FFEA CN(C)[C@H]1CN(C(=O)c2cccc(-c3ccc(C#N)c(Cl)c3)c2)C[C@@H]1O 426566786 BMOWAAUEZFLUEN-OALUTQOASA-N 369.852 2.626 30 50 FFEA CN(C)[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1F 91547168 XHWNCVRLYIYHQH-HXUWFJFHSA-N 366.440 2.649 30 50 FFEA N#Cc1ccc(N2CCC(NCCc3cnn(-c4ccccc4)c3)CC2)nc1 95525165 QIMROEKEHVNRCC-UHFFFAOYSA-N 372.476 2.940 30 50 FFEA CC(C)C[C@H](C(=O)[C@H](C#N)c1ccccn1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 239347260 MOKBSNJGNVFRFU-YFHUEUNASA-N 365.433 2.624 30 50 FFEA N#Cc1cnn2c(=O)nc(SCc3cccc(Cl)c3Cl)[nH]c12 2325862766 HWFHXIJSRBPCPA-UHFFFAOYSA-N 352.206 2.888 30 50 FFEA C=CCNC(=O)CN1CCOc2c(O)cc(-c3ccccc3C)cc2C1 67965370 OLUAQJQWBMULBE-UHFFFAOYSA-N 352.434 2.864 30 50 FFEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC2CSCCSC2)cc1 219966092 YIQFVVNMYHFQBS-IAGOWNOFSA-N 350.509 2.533 30 50 FFEA C[C@H](C1CC1)n1cc(N=C(O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)cn1 330214654 LVDVGBATXKQYEC-NJAPINKUSA-N 370.457 2.785 30 50 FFEA N#Cc1ccc(Cc2cnc(NC(=O)c3cnn4cccnc34)s2)cc1 487265643 UGMCBAVBICQTMB-UHFFFAOYSA-N 360.402 2.901 30 50 FFEA CC1(C#N)CCN(Cc2cccc(OCCCN3CCOCC3)c2)CC1 216053445 WMEBJLSEBNHXKB-UHFFFAOYSA-N 357.498 2.913 30 50 FFEA N#Cc1cc(Br)cc(C(=O)O)c1I 263624934 VHSJNWJPUORVQY-UHFFFAOYSA-N 351.925 2.624 30 50 FFEA N#Cc1cc(F)cc(C(=O)N2CCCN(C(=O)C3CCCCC3)CC2)c1 1772700534 CILKHGHITXQLTR-UHFFFAOYSA-N 357.429 2.952 30 50 FFEA CC(C)=N/N=C1/NC(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)S1 5647550 WADHXGKKAQXDRR-LBPRGKRZSA-N 352.847 2.960 30 50 FFEA COc1cc(/C=N/N2CCN(c3ccccc3)CC2)ccc1OC(C)=O 1477303 OHZBQZXOLUMDTQ-RCCKNPSSSA-N 353.422 2.777 30 50 FFEA Cc1cc(C)c(C)c(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)c1C 2886098 QVHBEADFXGHPAA-UHFFFAOYSA-N 359.403 2.837 30 50 FFEA aggregator CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2F)C2=C(CCCC2=O)N1 100640861 MWOGACTWAPHDQR-LJQANCHMSA-N 370.424 2.652 30 50 FFEA C[C@@H]1CC(C)(C)[C@H](CNC(=O)C2(C#N)CCC2)[C@@H]1NC(=O)C1(C#N)CCC1 135332774 VEOOTKVWHSIFGH-BZUAXINKSA-N 370.497 2.657 30 50 FFEA COc1ccccc1N1CCN(C/C(O)=N/c2nnc(C3CC3)s2)CC1 20706443 XBGFXTLYDZBQEK-UHFFFAOYSA-N 373.482 2.834 30 50 FFEA C[C@]12C[C@H](O)[C@@]3(F)[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]21OCC1=O 257357405 NVDNCLODVOXYKU-BMXPDEKXSA-N 362.441 2.919 30 50 FFEA C[C@](CO)(c1ccc(Br)cc1)N1CCN(CCCC#N)CC1 1473858897 ZUIKQSOIEYQHMW-KRWDZBQOSA-N 366.303 2.578 30 50 FFEA CC(C)(C)OC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] 169969310 GQPDGGUXIJOLNX-UHFFFAOYSA-N 365.195 2.636 30 50 FFEA COc1ccc(C[C@@H]2S/C(=N\N=C\c3ccc(O)cc3)NC2=O)cc1 5578499 GPCBQVUDWKQALV-ZVCOJXFSSA-N 355.419 2.565 30 50 FFEA CCC(F)(F)C(C)(C)CNS(=O)(=O)C[C@H](C#N)C1CCOCC1 2325776437 MNSIOZXUOBOEFF-ZDUSSCGKSA-N 352.447 2.544 30 50 FFEA CC[C@H](NS(=O)(=O)c1sc2ccc(C#N)cc2c1C)C1CC(O)C1 220170342 AENKFYLQXGNHMG-PIMMBPRGSA-N 364.492 2.909 30 50 FFEA CN(C)Cc1nnc(C2CCN(Cc3cccc(C#N)c3)CC2)n1C1CC1 82145892 VQSSBJQSYHMPOV-UHFFFAOYSA-N 364.497 2.926 30 50 FFEA CCc1ccc(S(=O)(=O)N/N=C\c2cc3c(cc2Cl)OCO3)cc1 32568402 YRVRQYPKUBFDCZ-NVMNQCDNSA-N 366.826 2.944 30 50 FFEA CCOC(=O)CN1[C@H]2CCCC[C@H]2[C@@](O)(C#Cc2ccccc2)C[C@H]1C 1848444017 COUQXMNGIJLRAS-RPUPUWCGSA-N 355.478 2.985 30 50 FFEA C=CCN1CC[C@@H](CNC(=O)N(C)CCc2nc3cccc(C)c3[nH]2)C1 670447971 VCCVFGJFEMVAGT-INIZCTEOSA-N 355.486 2.563 30 50 FFEA CN(C)Cc1cc(O[C@@H]2CCN(CCOc3ccccc3C#N)C2)ccn1 886068782 QXXGPIHSQXWZIC-HXUWFJFHSA-N 366.465 2.547 30 50 FFEA C=CCN(Cc1ccsc1)C(=O)c1ccc(N(C)S(C)(=O)=O)cc1 1506423253 UKNBYLVHWCVQPG-UHFFFAOYSA-N 364.492 2.972 30 50 FFEA COc1ccc(C(=O)/C=C/c2cc(C(=O)O)cc3c2OCOC3)c(O)c1 4024744 NQOMGQFTSYCBDO-GORDUTHDSA-N 356.330 2.862 30 50 FFEA biogenic Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccn2)o1 13569843 DXGUHZMWBMUKCE-KRWDZBQOSA-N 369.421 2.513 30 50 FFEA N#Cc1cccc(CNC(=O)CN2CC(=O)Nc3cccc4c3[C@H]2CCC4)c1 366444438 RNCJFYVKBVGFDT-LJQANCHMSA-N 374.444 2.506 30 50 FFEA COC(=O)c1cccc(Cn2nc(-c3ccc(C)cc3)ccc2=O)c1C#N 2325705610 ZGQFQHXKIGPKNT-UHFFFAOYSA-N 359.385 2.925 30 50 FFEA C=CCN(c1ccc(C(=O)N(C)Cc2ccccc2)cc1)S(C)(=O)=O 687819 BBRQKEFEMFECAS-UHFFFAOYSA-N 358.463 2.911 30 50 FFEA CC(C)CN1CC2(CCN(Cc3ccc(C#CCO)cc3)CC2)CC1=O 91793077 BIRNITXDENVYTA-UHFFFAOYSA-N 354.494 2.501 30 50 FFEA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2ccccc2C#N)cc1OC 1529154069 XBNIUCPDPBENEU-NHCUHLMSSA-N 368.433 2.510 30 50 FFEA C[C@H](/C(O)=N/[C@H]1CCCc2cn(C3CCCC3)nc21)N1CCN(C)CC1 329353412 UYHHGRIVSRTRDA-QAPCUYQASA-N 359.518 2.968 30 50 FFEA C#Cc1ccc2c(c1)N(S(=O)(=O)c1cnccc1C(F)(F)F)CCO2 2325739961 CJUJKZBDKVQMCS-UHFFFAOYSA-N 368.336 2.669 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)N=N1 2325891778 NSSFUMZGWNZBKK-KRWDZBQOSA-N 366.421 2.724 30 50 FFEA COc1ccc([C@H](CN/C=C2\C(=O)Oc3ccccc3C2=O)N(C)C)cc1 824654570 NPJOCTYPJCHBGQ-FSEPTYSPSA-N 366.417 2.573 30 50 FFEA N#Cc1nc(-c2ccco2)oc1N1CCN(c2nc(C3CC3)ns2)CC1 301917336 BLHQYSPURBZKMO-UHFFFAOYSA-N 368.422 2.862 30 50 FFEA COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1Br 657437 LULXAIUIRUAPKN-MHWRWJLKSA-N 369.240 2.770 30 50 FFEA Cc1ccc(-c2ccc3nnc(CNC(=O)c4ccc(C#N)cc4)n3n2)cc1 169778463 KKEOSLAIHTVLLB-UHFFFAOYSA-N 368.400 2.901 30 50 FFEA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3ccc(C#N)nc3)CC2)O1 1857699661 XUGFNXBOOZFTSV-IAGOWNOFSA-N 357.454 2.514 30 50 FFEA COc1cc(/C=N/n2c(SC)nnc2C(F)F)cc(OC)c1OC 2789532 FRGCFTJWRIGTLM-REZTVBANSA-N 358.370 2.846 30 50 FFEA COc1ccc2c(c1)[C@H](/N=C(/O)[C@@H]1CCCO1)CCN2C(=O)[C@H]1CCCO1 329503404 IDSGBBCIRKJPEX-BPQIPLTHSA-N 374.437 2.788 30 50 FFEA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 331806767 KPQPBKVCZYHQDR-NSHDSACASA-N 351.332 2.658 30 50 FFEA C[C@@](O)(C/N=C(/N)N[C@H]1CCOc2ccccc21)c1ccc(F)cc1F 262540254 RHHOIPJCULBOSA-QFBILLFUSA-N 361.392 2.600 30 50 FFEA CCOc1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)o1 218696082 MBHOPAPHWJOKPZ-NVXWUHKLSA-N 356.378 2.516 30 50 FFEA C=CCn1c(S)nc2cc(C(=O)NC3C[C@@H](C)O[C@H](C)C3)ccc2c1=O 130734623 DEJXPGCGRQEYQN-VXGBXAGGSA-N 373.478 2.557 30 50 FFEA COc1cccc(C)c1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C#N)cc1 220233127 XVVLMMCYYVYRTM-IEBWSBKVSA-N 366.417 2.842 30 50 FFEA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 95363317 OGCNDNJVEVBNIR-QGZVFWFLSA-N 366.469 2.728 30 50 FFEA C=CCN1C[C@H](C(=O)Nc2ccc(N3CCCC3)c3ncccc23)CC1=O 952961068 GCCWOZZCXLKGHT-OAHLLOKOSA-N 364.449 2.808 30 50 FFEA C=C1C(=O)O[C@@H]2C=C(C)C[C@@H]3C=C(C[C@H](OC(=O)/C(C)=C\C)[C@@H]12)C(=O)O3 936069312 FTPHYXGWMIZVMP-UTOMKVGNSA-N 358.390 2.554 30 50 FFEA O=[N+]([O-])c1cccc(N/C(O)=N/S(=O)(=O)c2ccccc2Cl)c1 754137 VUGJVMSXPBRNQO-UHFFFAOYSA-N 355.759 2.963 30 50 FFEA O/C(=N/Cc1nnc2n1CCCCC2)N1CCC(c2nccs2)CC1 328791243 ZEFFMZBWUGXSLM-UHFFFAOYSA-N 360.487 2.755 30 50 FFEA COc1ccc(-c2nc(C#N)c(N3CC[C@H](c4nc(C)no4)C3)o2)cc1 1857799316 WFIAHOUFLSXNQF-ZDUSSCGKSA-N 351.366 2.907 30 50 FFEA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccccc3C#N)C1)CC2 2356155897 NCRHUOIMYDNDQA-OAQYLSRUSA-N 361.449 2.534 30 50 FFEA CCOC(=O)/C(=N\Nc1ccc(NC(=O)c2ccccc2)cc1)C(C)=O 4989964 MTZDCBJBSDOMDY-XLNRJJMWSA-N 353.378 2.859 30 50 FFEA C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1c1nc(C(F)(F)F)ccc1C#N 284585673 OKVQLYIMKGQDRI-ZENOOKHLSA-N 355.360 2.728 30 50 FFEA COc1cccc(C[C@H](C)/N=C(/O)N2CCC(CC(=O)N(C)C)CC2)c1 330779933 WPNIJBWKLLWQNU-HNNXBMFYSA-N 361.486 2.731 30 50 FFEA COc1ccc(I)c(B2OC(C)(C)C(C)(C)O2)c1 169983308 WNIUBTIVQXWKEO-UHFFFAOYSA-N 360.000 2.599 30 50 FFEA in-vitro CC(C)(C)C(=O)Nc1ncc(F)c(/C=N/O)c1I 66054386 OYAWKKTTWKTXBH-SYZQJQIISA-N 365.146 2.618 30 50 FFEA 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(O)ccc2ccccc12 239175802 QQRCACCILUTOLS-PSJNWGMYSA-N 358.397 2.932 30 50 FFEA C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NCCc1nc3ccccc3c(=O)[nH]1)C2 71297181 RKPFXKHESLGMNF-SPLOXXLWSA-N 351.450 2.964 30 50 FFEA N#Cc1c(F)cccc1N1CCC[C@H](c2[nH]ncc2CN2CCOCC2)C1 275517069 DOSJAFXZWZTHEY-HNNXBMFYSA-N 369.444 2.637 30 50 FFEA C=CCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCOCC2)cc1 12343790 NETCWGVUFSNSCV-UHFFFAOYSA-N 365.433 2.691 30 50 FFEA C#CC(C)(C)OC[C@@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 16577023 NGJATZCHDYUODI-KRWDZBQOSA-N 350.890 2.560 30 50 FFEA Cc1c(CN2CCO[C@@H](CO)[C@@H]2c2ccccc2Cl)cc(C#N)n1C 1875247832 QFUOJWCVTOGPIC-OALUTQOASA-N 359.857 2.793 30 50 FFEA CCc1nnc(/N=C(\O)CN2CCN(Cc3cccc(F)c3)CC2)s1 22939061 KBAYTLSDSDZTFJ-UHFFFAOYSA-N 363.462 2.645 30 50 FFEA C=CCN(C(=O)c1cc(C)nc2ccc(C)cc12)[C@@H]1CCS(=O)(=O)C1 65383638 XVEIRMGIWXUQRU-OAHLLOKOSA-N 358.463 2.667 30 50 FFEA COc1cc(C#N)ccc1OC[C@H]1CCCN(c2cncc3nccn23)C1 1857736622 OIPSZDMCGMIKHP-INIZCTEOSA-N 363.421 2.905 30 50 FFEA CC1(C)OB(c2ccc(OC(F)(F)F)c(/C=C/C(=O)O)c2)OC1(C)C 170007765 ZWULTVNNKJAVMI-VMPITWQZSA-N 358.121 2.982 30 50 FFEA N#Cc1ccccc1N1CCN(C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 299796690 OGKXEGRCTOBCFS-GOSISDBHSA-N 360.461 2.733 30 50 FFEA Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C(=O)C#CC(C)C 952894755 QMCQIDJUMUZZCR-AWEZNQCLSA-N 357.376 2.622 30 50 FFEA N/C(=N\OC(=O)COc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 4680654 NQFXBDYXZIFCEF-UHFFFAOYSA-N 365.345 2.991 30 50 FFEA N#Cc1ccc(CN2CC[C@H]3[C@@H]2CC(=O)N3C2Cc3ccccc3C2)cc1 1857686595 CXDYVDSQZPDYNF-VXKWHMMOSA-N 357.457 2.901 30 50 FFEA N#Cc1cccc2c(C(=O)NC[C@@H]3CCCN3Cc3ccccn3)c[nH]c12 2325821807 CCWUDJALRXWOLR-KRWDZBQOSA-N 359.433 2.829 30 50 FFEA Cc1ncsc1CN(C)C[C@@H]1CCN(c2nnc(C)c(C)c2C#N)C1 190445096 WAMXXMPPHYWXGQ-HNNXBMFYSA-N 356.499 2.688 30 50 FFEA C#CCN(C(=O)[C@@H]1CCC(=O)N(Cc2ccccn2)C1)C1CCCCC1 12304732 BWHWHUXSOHUECS-QGZVFWFLSA-N 353.466 2.615 30 50 FFEA Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H]1CCN(c2sccc2C#N)C1=O 246350596 FYKCNZROTJPYAU-HOTGVXAUSA-N 369.494 2.913 30 50 FFEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNc1nc2c(cc1C#N)CCC2 886080297 UJNNAVBVVXHJTM-BEFAXECRSA-N 351.454 2.982 30 50 FFEA Cc1occc1CN(C)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 364366092 YNYSSIRJYOAMPZ-SFHVURJKSA-N 351.406 2.609 30 50 FFEA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2ccc(C#N)cc2)cc1OC 1529110375 MRUNYBQAWFOKBM-NHCUHLMSSA-N 368.433 2.510 30 50 FFEA C#CCCC1(CCC(=O)NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)N=N1 2325892508 PNWURHJCHYLOHF-SFHVURJKSA-N 366.465 2.550 30 50 FFEA Cc1c(CCC(=O)NCc2ccco2)c(=O)n2c([nH]c3ccccc32)c1C#N 8990919 HUNFKOFLYDJVHI-UHFFFAOYSA-N 374.400 2.803 30 50 FFEA COc1cccc(-n2c(SCC(=O)O)nnc2-c2cccc(C#N)c2)c1 67834145 ZPDIXUMGFPYIKT-UHFFFAOYSA-N 366.402 2.991 30 50 FFEA C=CCC(=O)N(CCOC)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12093025 VDRLUXCZQHHVAH-GOSISDBHSA-N 356.510 2.917 30 50 FFEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](N(C)Cc1cccs1)C2 14748484 GPZMYXHFFAIKCS-AWEZNQCLSA-N 358.511 2.822 30 50 FFEA C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCC1(C)C 2325828650 NMAQKAZUXIUCCT-WBVHZDCISA-N 355.486 3.000 30 50 FFEA C#CCCC1(CCNC(=O)c2cccc(NCc3cncn3C)c2)N=N1 2325891573 OSKDILQQGCYGKJ-UHFFFAOYSA-N 350.426 2.728 30 50 FFEA COc1ccccc1C(=O)C[C@]1(O)C(=O)N(CCCC#N)c2ccccc21 4784416 DHQDMQAJHXWIRJ-OAQYLSRUSA-N 364.401 2.806 30 50 FFEA COc1cccc(-c2cc(-c3ccc(OCC(N)=O)cc3)c(C#N)c(N)n2)c1 67983096 BHRWZGLWSGSLCF-UHFFFAOYSA-N 374.400 2.742 30 50 FFEA Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(C#N)cc3F)CC2)c1 123335939 LGGJHDRZDQONDX-UHFFFAOYSA-N 373.453 2.825 30 50 FFEA COc1cc2c(cc1OC)CN(S(=O)(=O)c1cc(C#N)ccc1C)CC2 332532165 WEKAWSUVMRWGIS-UHFFFAOYSA-N 372.446 2.631 30 50 FFEA C#CCCC1(CCC(=O)N[C@H]2Cc3n[nH]cc3[C@@H](C(F)(F)F)C2)N=N1 1875368833 RQPKFBJCXRMDHS-PWSUYJOCSA-N 353.348 2.842 30 50 FFEA Cc1noc(C[C@@]2(O)CCCN(Cc3ccccc3C(C)(C)C#N)C2)n1 886091648 FCXQYLUJPCZKCL-FQEVSTJZSA-N 354.454 2.749 30 50 FFEA COc1ccc(/C=N/n2cnnc2)cc1COc1ccc([N+](=O)[O-])cc1 1205266 PDLNAWHURXIFEE-AWQFTUOYSA-N 353.338 2.656 30 50 FFEA COc1ccc(/C=N/n2c(S)nnc2-c2ccncc2)c(OC)c1OC 1475292 ODAUZIMCCVCTGQ-VXLYETTFSA-N 371.422 2.537 30 50 FFEA Cc1nn(C)c2nc(-c3cccs3)cc(/C(O)=N/CCOCCCO)c12 328592683 JVTNYGHUYDAXOI-UHFFFAOYSA-N 374.466 2.709 30 50 FFEA COc1cc(CCN=C2NC[C@@H](c3c(F)cccc3F)N2)cc(OC)c1 2325863328 DQOZBYITSPTBSE-KRWDZBQOSA-N 361.392 2.815 30 50 FFEA COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(C#N)cc2F)c1 6671777 VCZPELYFKLKLCO-UHFFFAOYSA-N 355.369 2.795 30 50 FFEA CCn1cc(CN2CCN(c3ccc(OC)cc3)C(=O)[C@@H]2C)cc1C#N 72139076 YSUOMSTUCMTDLJ-HNNXBMFYSA-N 352.438 2.626 30 50 FFEA Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@@H]1CCN(c2sccc2C#N)C1=O 177058362 FYKCNZROTJPYAU-JKSUJKDBSA-N 369.494 2.913 30 50 FFEA CCCCCCCCCCCC[S@](=O)[C@H]1CS(=O)(=O)C[C@H]1O 245312293 SYBGQUOWIDTOOE-XFQAVAEZSA-N 352.562 2.814 30 50 FFEA C=CCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1 16649411 VNEKDDSOTBOLMS-UHFFFAOYSA-N 368.524 2.889 30 50 FFEA Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 331780056 HQMPTWWXEAXEKP-LLVKDONJSA-N 351.332 2.658 30 50 FFEA C#CCN(Cc1ccccc1Cl)C(=O)Cn1cnc2sccc2c1=O 2325725283 UACCQGUHZCOWAC-UHFFFAOYSA-N 371.849 2.773 30 50 FFEA CCOC(=O)[C@H]1CCc2nc(N)c(C#N)c(-c3ccc(O)cc3OC)c2C1 71776351 RDKMOUHTYDJESN-NSHDSACASA-N 367.405 2.585 30 50 FFEA CC(C)c1cc(C(=O)N2CC(=O)N(c3ccc(C#N)cc3)C[C@@H]2C)no1 82136839 XSXITLZHUNMOIJ-ZDUSSCGKSA-N 352.394 2.547 30 50 FFEA CCn1c(CN2CCCC2)nnc1C1CCN(c2cc(C#N)ccn2)CC1 82108391 QUMRTFHPQRWWME-UHFFFAOYSA-N 365.485 2.544 30 50 FFEA Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2Cl)cc1[N+](=O)[O-] 5060217 WMGSPBWNUAMPCF-CXUHLZMHSA-N 353.787 2.869 30 50 FFEA CC/N=C1/S[C@@H](CC(=O)Nc2ccc(OC(F)F)cc2)C(=O)N1CC 100867802 UASCXDMRKLYMSO-NWLJZCLZSA-N 371.409 2.956 30 50 FFEA CC[C@H](C)n1ncc(N=C(O)N[C@H]2CS(=O)(=O)c3ccccc32)c1C 330122022 JZMYODOAVRMCGW-NHYWBVRUSA-N 362.455 2.826 30 50 FFEA OCC#Cc1csc(CN2CCCN(Cc3ccccc3F)CC2)c1 828644587 HNVJKPMGWHSMNB-UHFFFAOYSA-N 358.482 2.939 30 50 FFEA C=C(C)COc1ccccc1C(=O)N1CCCN(c2ncccn2)CC1 55072571 SHIOXRHMWKFTJW-UHFFFAOYSA-N 352.438 2.784 30 50 FFEA CCCC(=O)N1CCC[C@@H]1/C(O)=N/[C@@H](C)C(=O)N1Cc2ccccc2C1 330092925 RCZGMRSDXLATNA-WMLDXEAASA-N 357.454 2.665 30 50 FFEA COc1nccc(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)c1C#N 95372541 QLWOYUJZLRXFQD-INIZCTEOSA-N 362.433 2.605 30 50 FFEA Cc1ccc(C#N)c(N[C@H]2CN(C(=O)C3CCOCC3)C[C@@H]2C(C)C)n1 91678356 VYEFWHPLJXHMFC-MSOLQXFVSA-N 356.470 2.583 30 50 FFEA N#Cc1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CCCC2 622701 INIUQVAUKJDCJZ-UHFFFAOYSA-N 365.414 2.733 30 50 FFEA Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C[C@@H]1CCOc2ccccc21 118148990 QFBMMWILUFDSGT-HNNXBMFYSA-N 370.430 2.628 30 50 FFEA C[C@H]1OCC[C@H]1N/C(O)=N/[C@H]1CCN(c2cccc(Br)c2)C1 330218618 OVVZNSMVWJEWPL-OSAQELSMSA-N 368.275 2.709 30 50 FFEA Cc1cc(N(C)[C@H]2CCN3CCO[C@H]2C3)n2c(nc3ccccc32)c1C#N 333757175 YXAWUYXSVGPKQG-OALUTQOASA-N 361.449 2.577 30 50 FFEA O=C1CC(c2ccco2)CC(=O)C1=CNC[C@H]1NCCc2ccccc21 100130334 MMXNHQPUXNQFSE-KPMSDPLLSA-N 350.418 2.656 30 50 FFEA C=CCN1C[C@@H](C(=O)Nc2ccc(Oc3cccc(OC)c3)nc2)CC1=O 952961029 AJSBVSXPWBGRCA-AWEZNQCLSA-N 367.405 2.856 30 50 FFEA CCC1(CC)Cc2ccccc2C2=C(C(=O)N3CCCCC3)C(=O)C(=O)N21 2192382 JYGFJAIEAMRPNW-UHFFFAOYSA-N 366.461 2.936 30 50 FFEA biogenic COc1ccc(-c2c(C#N)c(N)nc3c2C[C@@H](N)CC3)c(Cl)c1OC 71762088 HIYFVUDBAFHBGR-VIFPVBQESA-N 358.829 2.689 30 50 FFEA N#Cc1ccc(N2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2=O)cc1 82108092 ZYXFADNOQCBNBJ-UHFFFAOYSA-N 357.772 2.840 30 50 FFEA COCc1ccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C#N)cc2)s1 1565511098 JCNKNEPZYSZOQY-IRXDYDNUSA-N 372.446 2.732 30 50 FFEA CCOC(=O)CN1[C@H](C)C[C@](O)(C#Cc2ccccc2)[C@H]2CCCC[C@H]21 1848444018 COUQXMNGIJLRAS-UGGKCQTMSA-N 355.478 2.985 30 50 FFEA O=C1C=C[C@H](Nc2ccc([N+](=O)[O-])cc2)[C@@H]1Nc1ccc([N+](=O)[O-])cc1 5014560 NTRZVTZLASRAHE-RDJZCZTQSA-N 354.322 2.903 30 50 FFEA C=CCOc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OC 13343741 ROJNEPBXVRVMLP-JYRVWZFOSA-N 365.432 2.546 30 50 FFEA C#CCCC1(CCC(=O)N[C@H]2CCCN(c3ccc(F)cc3F)C2=O)N=N1 2325886601 BRLMXBVYGRQAKT-HNNXBMFYSA-N 374.391 2.932 30 50 FFEA CCNC(=S)N/N=C/c1ccccc1OCc1ccc(C(=O)OC)cc1 6497313 BAUNHLPXDPSPLV-CIAFOILYSA-N 371.462 2.870 30 50 FFEA CC(C)Cc1c(C#N)c(N)nc(S[C@@H](C(N)=O)c2ccccc2)c1C#N 20813325 WMXBAPBDUVLDGP-MRXNPFEDSA-N 365.462 2.924 30 50 FFEA N#Cc1ccc(C(=O)N2CCC(Cc3nncn3-c3ccccc3)CC2)cn1 63847351 SAIHVFLNTIUDDK-UHFFFAOYSA-N 372.432 2.629 30 50 FFEA C=CCc1cc(C(=O)Nc2ccc(-n3cnnn3)cc2OC)ccc1OC 952861005 WHJNZZSRJRDYKI-UHFFFAOYSA-N 365.393 2.660 30 50 FFEA COc1ccccc1-c1cc[n+](CC(=O)c2ccccc2[N+](=O)[O-])cn1 5676518 KIEKTFIMERJOBN-UHFFFAOYSA-N 350.354 2.836 30 50 FFEA N#C[C@H]1CN(C(=O)NCCc2cc(Cl)ccc2Br)CCO1 130725375 QWVJSDIRXVGWBM-LBPRGKRZSA-N 372.650 2.579 30 50 FFEA C=CCN(C(=O)[C@H]1CC(C)(C)Oc2ccccc21)[C@H]1CCS(=O)(=O)C1 412218284 RKDIIOLWLMBYQK-HOCLYGCPSA-N 363.479 2.533 30 50 FFEA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC(C#N)(c2ccccn2)CC1 367093861 VNFPFBDBNRDHHX-AWEZNQCLSA-N 351.454 2.999 30 50 FFEA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)Nc2ccc(C#N)nc2)n1 96165678 GOTMTZHVWCOJMP-SNVBAGLBSA-N 366.347 2.935 30 50 FFEA C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCC(c3nn(C)c(=O)n3CC)CC1)C2 71278474 MJBNMJQRBPXTMK-IIBYNOLFSA-N 372.513 2.690 30 50 FFEA Cc1csc([C@H](C)C/N=C(/O)N2CCN(C3CCOCC3)C[C@@H]2C)n1 330234043 SKEOPUGJYZAXTP-HIFRSBDPSA-N 366.531 2.654 30 50 FFEA COC(=O)c1cc(C#N)c(N(C)Cc2cc(-c3ccncc3)no2)nc1C 77485600 VETPLQSDCCDXBS-UHFFFAOYSA-N 363.377 2.735 30 50 FFEA N#C[C@@]1(NC(=O)c2ccc3c(c2)NC(=O)CS3)CCc2ccccc2C1 183992059 ZZDGHZAYTRIQSN-HXUWFJFHSA-N 363.442 2.912 30 50 FFEA C=C(CO)[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 253499339 FHMTWLTWUUIXDI-NWDASVTGSA-N 360.494 2.769 30 50 FFEA biogenic Cc1cc(=N[C@H]2CC23CC(NC(=O)[C@@H]2CCC2(C)C)C3)[nH]c(C)c1C#N 1875408346 TZMUVYAFBZLEOR-ZZUNWWICSA-N 352.482 2.877 30 50 FFEA Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OC3CSC3)cc2)cc1 2978954 OEQUYEPUISUVMJ-VCHYOVAHSA-N 362.476 2.802 30 50 FFEA Cc1cccn2c(=O)c3cc(C#N)c(=N)n(CCc4ccccc4)c3nc12 100627181 WZXIDBUHWRLHSO-UHFFFAOYSA-N 355.401 2.551 30 50 FFEA CCN1CCC[C@@H](CN(C)C(O)=Nc2cccnc2)[C@@H]1c1cnn(C)c1 328622607 INQIDPTVQXAUDQ-MAUKXSAKSA-N 356.474 2.766 30 50 FFEA Cn1nc2c(c1C/N=C(/O)[C@@H]1CCN(c3ccc(F)cc3)C1=O)CCCC2 329737906 MNBWGNLEKZHYPB-INIZCTEOSA-N 370.428 2.948 30 50 FFEA COC(=O)[C@@H](C)Sc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1C#N 221528160 SNKVVEXLGJCLFK-SNVBAGLBSA-N 368.418 2.736 30 50 FFEA N#Cc1ccc2c(n1)CCCN2C(=O)CCc1nc(-c2cccs2)no1 892412189 ASFKPWVUJPENNF-UHFFFAOYSA-N 365.418 2.977 30 50 FFEA C[C@@H]1C[C@@H](C)C(=O)C(=C(CC2CC(=O)NC(=O)C2)Nc2ccccc2)C1=O 5690825 TYSGJWLNVJBNHV-CHWSQXEVSA-N 368.433 2.610 30 50 FFEA Cc1cc(C)cc(/N=C(\O)[C@H]2CC(=O)N=C(NCc3ccccc3)N2)c1 2342971 ZUMLFAQLRIIIPZ-QGZVFWFLSA-N 350.422 2.926 30 50 FFEA CN(CC#N)S(=O)(=O)c1ccc(Br)c(Cl)c1Cl 170609280 XPJXQDWAZSXLKL-UHFFFAOYSA-N 358.044 2.900 30 50 FFEA CN(CCOc1cccc(C#N)c1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328654155 XGSOVUDWAJIKDC-FPOVZHCZSA-N 350.466 2.957 30 50 FFEA CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(c2cccc(F)c2C#N)CC1 328655012 XYEAOQMFMCGXBR-OAHLLOKOSA-N 365.474 2.870 30 50 FFEA COc1ccc(-c2nnc(S)n2N=Cc2ccc(C(=O)O)cc2)cc1 252429494 VITSTBJSRAANKA-UHFFFAOYSA-N 354.391 2.823 30 50 FFEA N#Cc1cccc(NC(=O)c2ncn(-c3ccc(OC(F)F)cc3)n2)c1 261490605 NQZURTPZYZNFSB-UHFFFAOYSA-N 355.304 2.993 30 50 FFEA Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1B1OC(C)(C)C(C)(C)O1 169904431 PGUJTLXJHQLAPJ-UHFFFAOYSA-N 358.096 2.902 30 50 FFEA in-vitro COc1cc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 4488866 YPWAOXCOEHVFTE-GFCCVEGCSA-N 359.422 2.959 30 50 FFEA Cn1cc(CNCCc2cccc(Br)c2)n2ncc(C#N)c12 2325801713 SRSBGXOXMZZOHE-UHFFFAOYSA-N 358.243 2.639 30 50 FFEA C#CCCC1(CCC(=O)NC[C@@H]2CCN2Cc2ccc(OC)cc2)N=N1 2325892270 GZUMITSIPJBACF-KRWDZBQOSA-N 354.454 2.741 30 50 FFEA CSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 1070849 ZZWVKJAQWWDWKH-AWEZNQCLSA-N 357.395 2.930 30 50 FFEA C=CCn1c(=O)c(C(=O)NCCC(C)C)c(O)c2cc(OC)c(OC)cc21 170624601 NLPICUSFZMYSCP-UHFFFAOYSA-N 374.437 2.686 30 50 FFEA CN(C)c1ncc(C/N=C(/O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)n1C 328734297 JZSHEUMYDKXDQA-CYBMUJFWSA-N 373.423 2.955 30 50 FFEA C[C@@H]1CN(c2ccccc2C#N)C(=O)CN1Cc1ccc2nsnc2c1 82121567 MDTOMUNOJOJTQO-CYBMUJFWSA-N 363.446 2.800 30 50 FFEA C[C@H]1[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@H](c1ccc([N+](=O)[O-])cc1)O2 230017111 BCTAXDDPLMJABR-NUAHXYJNSA-N 351.322 2.569 30 50 FFEA COc1ccc(CC(=O)NC[C@@H]2CCCN(c3ncccc3C#N)C2)cc1 95510043 JYLIVFCCCJGSPM-KRWDZBQOSA-N 364.449 2.537 30 50 FFEA N#C[C@H]1CCCN(Cc2cc(-c3ccccn3)ccc2OCC(=O)O)C1 97743617 ZIZYYRRHCKHJCO-OAHLLOKOSA-N 351.406 2.948 30 50 FFEA N#Cc1cccc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)n1 95362939 NUUSVVOPNPLEDC-MTNREXPMSA-N 374.444 2.749 30 50 FFEA Cn1nc(C(F)(F)F)c2cc(C(=O)N[C@@H]3CC[C@H](CC#N)C3)cnc21 1875296427 WYALWFHPOAEMIW-MWLCHTKSSA-N 351.332 2.799 30 50 FFEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](N(C)Cc1nc(C)cs1)C2 14533679 IDHHNVDILRHZDM-AWEZNQCLSA-N 373.526 2.525 30 50 FFEA Cc1ccccc1[C@H](C)CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 160781377 CLZDNFOGKRRRRP-SJORKVTESA-N 363.465 2.888 30 50 FFEA Cc1ccsc1[C@H](Cn1ccc2nc(O)c(C#N)cc2c1=O)N(C)C 67723996 QYSNJRPVZPSFLA-HNNXBMFYSA-N 354.435 2.647 30 50 FFEA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(c2cccc(F)c2C#N)CC1 328655564 YLXYTFMIAOTWQB-KRWDZBQOSA-N 367.428 2.895 30 50 FFEA COc1ccc([C@@H](NC(=O)C2(C#N)CCOCC2)c2ccncc2)cc1 299792392 DXQUDJKLSRQYOI-GOSISDBHSA-N 351.406 2.616 30 50 FFEA CN1CCC(/N=C(/O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 328630749 JRNGHXALEXQCIV-HOCLYGCPSA-N 368.522 2.601 30 50 FFEA Cc1nc2c([nH]1)[C@@H](C(=O)N1CCO[C@H](c3cccc(C#N)c3)C1)CCC2 2325806343 ILWZFGQTTIUWSQ-WMZOPIPTSA-N 350.422 2.610 30 50 FFEA C#CCCC1(CCNC(=O)c2cnc3c(c2)c(C)nn3-c2ccccn2)N=N1 2325890948 GMUMZVTXWCFAAH-UHFFFAOYSA-N 373.420 2.819 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cc1 67790368 BVSRIQZSOBFGLP-VQTJNVASSA-N 354.494 2.803 30 50 FFEA Cc1ccc(C2(O)CCN(Cc3ccc(C#CCCO)cc3)CC2)nc1 67855566 UOXXEMVROMFGCC-UHFFFAOYSA-N 350.462 2.608 30 50 FFEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(O)c(CN(C)C)c1 71714624 BIBRKPNVPFCEDD-UHFFFAOYSA-N 362.437 2.679 30 50 FFEA N#Cc1c(Br)cc(C(=O)O)cc1I 263624618 SAQFRINFDWTRQJ-UHFFFAOYSA-N 351.925 2.624 30 50 FFEA Cn1ccnc1[C@H](N/C=C1/C(=O)Oc2ccccc2C1=O)c1ccccc1 828327170 DACZKTUSHCOVRK-IYICPGQYSA-N 359.385 2.785 30 50 FFEA C=CCN1C(=N)S/C(=C2\C(=O)Nc3ccc(Br)cc32)C1=O 19758089 CKSKWINAZQNKTR-QJDUWAJGSA-N 364.224 2.808 30 50 FFEA Cc1nc(C#N)c(NCCC(=O)N2CCC[C@H](c3ccncc3)CC2)o1 2325805560 RXVNLBSOMYSFCX-HNNXBMFYSA-N 353.426 2.848 30 50 FFEA COc1ccccc1C(=O)Nc1c(C#N)c(C)nn1-c1nc(C)cc(C)n1 9134583 JLUXSGAXTLYZPM-UHFFFAOYSA-N 362.393 2.720 30 50 FFEA Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1Br 100561472 FRPWETCRLJWQDS-HCDOKEMZSA-N 359.223 2.899 30 50 FFEA O=C(O)COc1ccccc1/C=N/N1CCN(c2ccc(Cl)cc2)CC1 25559558 QYDWXDOTHCLNMX-FYJGNVAPSA-N 373.840 2.960 30 50 FFEA CCc1nnc(/N=C(\O)CN2CCN(c3ccccc3OC)CC2)s1 20027055 KWILRDDGDITZCO-UHFFFAOYSA-N 361.471 2.519 30 50 FFEA Cc1ccc(C/N=C(/O)N2CCOC[C@@H]2CC(C)C)cc1S(C)(=O)=O 331288278 OFYMRPKNWTZOJK-INIZCTEOSA-N 368.499 2.559 30 50 FFEA COc1cccc2c1C[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C2 458078249 IBINJOWLGUEDKE-ZDUSSCGKSA-N 361.323 2.878 30 50 FFEA N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3[C@@H]4CCc5ccccc5[C@@H]43)CC2)c1 269478254 PXCHXLZQMUHUSB-HLAWJBBLSA-N 373.460 2.513 30 50 FFEA CC(C)c1ccc(C#N)c(-c2cccc(C(=O)N3CCC[C@H]3C(N)=O)c2)n1 584893984 GVBNJPLDAFJNEQ-SFHVURJKSA-N 362.433 2.834 30 50 FFEA COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O 587989 IBLWSLZYYZHSRG-UHFFFAOYSA-N 356.334 2.730 30 50 FFEA in-vivo COc1cc(C#N)ccc1OC[C@@H]1CCCN(C(=O)c2nsnc2C)C1 1857739704 PDIFVYYFAZCOIU-CQSZACIVSA-N 372.450 2.658 30 50 FFEA C#CCCC1(CCC(=O)N2CCCC[C@H]2c2n[nH]cc2C(=O)N(C)C)N=N1 2325886980 POANPSPQGQQUGG-HNNXBMFYSA-N 370.457 2.521 30 50 FFEA CCOC(=O)C1=CNC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1C(=O)OCC 1234008 ZJZZBNOAXKVDHI-KSSFIOAISA-N 369.417 2.617 30 50 FFEA O=C(CCCCC(=O)OC[C@@H]1CC[C@@H]2O[C@@H]2C1)OC[C@@H]1CC[C@@H]2O[C@@H]2C1 25723225 DJUWPHRCMMMSCV-GVLSGGHMSA-N 366.454 2.768 30 50 FFEA CCOC(=O)/C(=N\OC)c1csc(NC(=O)c2ccc(Cl)cc2)n1 5716461 GWFLPCNXXKRRNG-UNOMPAQXSA-N 367.814 2.962 30 50 FFEA N#Cc1ncccc1S(=O)(=O)N1CC[C@](F)(c2cccc(Cl)c2)C1 374615817 ZWYPGDAEFKYAKO-MRXNPFEDSA-N 365.817 2.866 30 50 FFEA Cc1c(C#N)c2ccccc2n1CC(=O)N[C@@H]1CCOC2(CCOCC2)C1 77541740 MXBVNUXMGAKSAU-MRXNPFEDSA-N 367.449 2.666 30 50 FFEA C=CC(=O)N(C)c1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1875374036 YEBKVILWRHZSSH-IBGZPJMESA-N 363.417 2.513 30 50 FFEA N#Cc1ccccc1CN1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 328607956 XSQVOQFFYXUKNC-DYESRHJHSA-N 372.432 2.952 30 50 FFEA N#Cc1ccc(CS(=O)(=O)NCc2ccccc2-n2ccnc2)c(F)c1 440051737 JKNJNIWYPZJSIN-UHFFFAOYSA-N 370.409 2.503 30 50 FFEA Cc1noc(C)c1C[C@H](C)/N=C(/O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 329648019 BMHQYPTZZHIRET-BKGUAONASA-N 373.457 2.522 30 50 FFEA Cc1ncc(C(O)=Nc2cn(C)cc(Br)c2=O)c(C2CC2)n1 329608249 IPRQQGXDHJHBOC-UHFFFAOYSA-N 363.215 2.760 30 50 FFEA Cc1c(C/N=C(/O)N2CCC[C@H](n3cncn3)C2)n(C)c2ccccc12 329921442 FRMDGJDPYTZZTH-HNNXBMFYSA-N 352.442 2.829 30 50 FFEA CCN1CCN(C(=O)CC2CCN(c3c(Cl)cccc3C#N)CC2)CC1 301386553 CUCURTAOUBAZMS-UHFFFAOYSA-N 374.916 2.982 30 50 FFEA Cc1ccc2nc(CNC(=O)c3ccc(C#CC(C)(C)O)o3)[nH]c2c1C 67676597 JNDRVGZFOLJFJN-UHFFFAOYSA-N 351.406 2.825 30 50 FFEA CCCn1cc(-c2cc(-c3cnc(N(C)C)nc3)c(C#N)c(N)n2)c(C)n1 71753169 LZCSQLKMVABQRQ-UHFFFAOYSA-N 362.441 2.640 30 50 FFEA CNC(=O)c1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 109351799 DLWQTJRQSJLVDQ-SFHVURJKSA-N 366.440 2.816 30 50 FFEA C#CCCC1(CCNC(=O)c2cccn3cc(CN4CCCC4)nc23)N=N1 2325887467 UUBXRLJKQGXJAL-UHFFFAOYSA-N 364.453 2.626 30 50 FFEA C=CCNC(=S)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 17075497 QQWMAFIPUVXNFS-KBPBESRZSA-N 367.540 2.826 30 50 FFEA COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2ccccc2)N2NN=NC2=N1 4851783 DVYRFAQRAUUDRH-AWEZNQCLSA-N 367.390 2.656 30 50 FFEA C#CCOc1ccc(CCN[C@@H](C)c2ccc3c(c2)OCC(=O)N3)cc1 2325720051 PJSFITPMDQKMDS-HNNXBMFYSA-N 350.418 2.923 30 50 FFEA C=C[C@@](C)(O)CCC[C@H](C)C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 2325806944 PRBLPDJGYZPZQB-FUHWJXTLSA-N 371.543 2.690 30 50 FFEA N#Cc1cncc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 290034889 CDUMCGFXENFETQ-IPMKNSEASA-N 353.447 2.910 30 50 FFEA C#CCCC1(CCNC(=O)c2cc(O)nc3nn(CC)c(C4CC4)c23)N=N1 1875382248 VUMOBVLBQYBKEV-UHFFFAOYSA-N 366.425 2.730 30 50 FFEA CN(C)CCc1nnc(NC(=O)CC2=C(c3ccccc3)CCC2=O)s1 1506420268 AERYEHVLVGGNST-UHFFFAOYSA-N 370.478 2.788 30 50 FFEA N#Cc1c(O)nc(SCC(=O)NCc2ccco2)nc1-c1ccccc1 778721 STUUDVFFOYUTEN-UHFFFAOYSA-N 366.402 2.722 30 50 FFEA CCOc1ccc(-c2nnc(S)n2N/N=C/c2ccc(O)c(O)c2)cc1 6876043 VSKRKPCLCYKZOY-VCHYOVAHSA-N 371.422 2.621 30 50 FFEA COc1cc2c(cc1-c1c(C#N)c(N)nc3c1N1CCC3CC1)OCO2 102380549 IYKRWARLGPXEEK-UHFFFAOYSA-N 350.378 2.637 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)NC[C@@H](O)c2ccccc2Cl)c1 65374358 BDDMKSVLSHEPEP-GOSISDBHSA-N 357.837 2.926 30 50 FFEA N#Cc1cccc(CN2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)c1 77376581 VDWCFZAEAONCHW-UHFFFAOYSA-N 371.444 2.702 30 50 FFEA CC[C@]1(C(N)=O)CCCN(C(=O)c2ccc(-c3cc(C#N)ccn3)cc2)C1 426489343 JLWMPFUSXDTEKG-NRFANRHFSA-N 362.433 2.738 30 50 FFEA CCc1nnc([C@H]2CCCN(C(=O)COc3ccccc3C#N)[C@H]2C)o1 952852864 ZSRIJSLSPLHPMM-ZFWWWQNUSA-N 354.410 2.677 30 50 FFEA CC1=NNC(=O)/C1=N\Nc1cc(C(=O)Nc2ccccc2)ccc1Cl 16134004 URWYBZHQPYUVNK-UHFFFAOYSA-N 355.785 2.866 30 50 FFEA N#Cc1cccc(C(=O)NCc2nnc3ccc(-c4ccc(F)cc4)nn23)c1 169778512 BVACWOLZFWYVKQ-UHFFFAOYSA-N 372.363 2.732 30 50 FFEA C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccc2ccccc2c1 796567 BFCPZHWEUPKSSX-UHFFFAOYSA-N 366.446 2.896 30 50 FFEA COc1cc(C)sc1C(=O)N[C@H]1COCC[C@@H]1Oc1ccc(C#N)cc1 1565508490 RIUXUGZIBJAVQT-HOTGVXAUSA-N 372.446 2.903 30 50 FFEA N#Cc1cccc(CS(=O)(=O)NC(=O)[C@@H]2SCCc3ccccc32)c1 170645647 NLTVOINOCNDQKV-QGZVFWFLSA-N 372.471 2.535 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N(Cc2cocn2)Cc2cocn2)cc1 1506418805 JGSQPTGSWCTVCX-UHFFFAOYSA-N 365.389 2.628 30 50 FFEA CCN(CC)CCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Cl)cc1 19771719 SXWMXAMCCURCEG-INIZCTEOSA-N 350.846 2.966 30 50 FFEA Cc1cc(-c2c(C#N)c(N)nc3c2C[C@H](N)CC3)c(C)n1-c1cccnc1 71776329 VUJBPRGTSLCQHG-CQSZACIVSA-N 358.449 2.821 30 50 FFEA Cc1nc(C)n(CCCNC(=O)c2ccc(-c3ccc(C#N)nc3)cc2)n1 426589074 QQJAWEFSUVBWSY-UHFFFAOYSA-N 360.421 2.649 30 50 FFEA COc1cc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O 35939874 FEQGCFQXIIRDDF-JTQLQIEISA-N 360.366 2.556 30 50 FFEA Cc1ccc(OCC(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)c(C)c1 5048585 IMYQYHAJJOLGIM-UHFFFAOYSA-N 357.366 2.649 30 50 FFEA C#CCCC1(CCC(=O)NCc2cc(F)ccc2N2CCN(C)CC2)N=N1 2325892541 RFQGHNBUYBCRGC-UHFFFAOYSA-N 371.460 2.549 30 50 FFEA OCC#Cc1csc(CN2CCc3[nH]cnc3[C@H]2c2cccc(O)c2)c1 67446754 UZEHOOKGQOSRFJ-HXUWFJFHSA-N 365.458 2.668 30 50 FFEA CCc1nnc(NC[C@@H]2CCO[C@H]2c2ccnn2CC)c(C#N)c1CC 328630488 PYIXGRRZWKYZNK-SCLBCKFNSA-N 354.458 2.879 30 50 FFEA CC(C)c1noc(C2CCN(C(=O)c3ccc(C#CC(C)(C)O)o3)CC2)n1 1506399799 QDQRLTOYPMBZAA-UHFFFAOYSA-N 371.437 2.928 30 50 FFEA C#CCCC1(CCNS(=O)(=O)c2cc(Cl)c(C)c(C(=O)O)c2)N=N1 2325900339 UPUNQQLHSSEYQZ-UHFFFAOYSA-N 369.830 2.591 30 50 FFEA C=CCN(c1ccc(C(=O)NCc2ccc(C)cc2)cc1)S(C)(=O)=O 2886238 XMGVDBUUWPUGFX-UHFFFAOYSA-N 358.463 2.877 30 50 FFEA C=C(C)COc1c(OC)cccc1-c1c(C#N)c(N)nc2c1C[C@@H](N)CC2 71763982 OFQODUKGMDDXJK-ZDUSSCGKSA-N 364.449 2.982 30 50 FFEA CC(C)(C)[C@@H](CNC(=O)[C@@]1(C#N)CCCOC1)NC(=O)CCCC1CC1 1875332919 QTCVOEJUDFCKFL-OXQOHEQNSA-N 363.502 2.534 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)c1 1800410648 YSGZMGZNBYXMDM-QFIPXVFZSA-N 363.461 2.652 30 50 FFEA C=CCC(O)(CC=C)CNC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 12574019 IXBKYWPAWFGILD-QGZVFWFLSA-N 374.456 2.564 30 50 FFEA Cc1ncc(/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)c(C)n1 328618023 DHBUZNZEUKLTCN-LLVKDONJSA-N 353.348 2.876 30 50 FFEA Cc1nc(N2C[C@@H]3C[C@H](NC(=O)[C@@H]4CC4(C)C)[C@H]3C2)c(Cl)cc1C#N 1875406012 USAKSKVBAWELLK-YXWQFLTLSA-N 358.873 2.902 30 50 FFEA CN(C)Cc1cc(O[C@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)ccn1 886096655 NFZIQDLHWWFBHY-IBGZPJMESA-N 354.429 2.807 30 50 FFEA COc1cc(/C=C/C(=O)c2ccccc2NS(C)(=O)=O)cc(OC)c1 170615681 CPOJYXDVGPRCBZ-CMDGGOBGSA-N 361.419 2.971 30 50 FFEA COc1cc(Br)c([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc1OC 5064548 SZHANYXHBGVCCB-AWEZNQCLSA-N 369.215 2.683 30 50 FFEA C=CCC(O)(CC=C)[C@@H](C)NC(=O)c1cc(COc2ccc(C)nc2)on1 12448032 AIAAUEMDYHDXSK-OAHLLOKOSA-N 371.437 2.959 30 50 FFEA C[C@@H]1CCS(=O)(=O)CCN1/C(O)=N/[C@@H]1C[C@H]1c1c(F)cccc1Cl 328601393 FJYQNQZYLNZHTI-JTNHKYCSSA-N 374.865 2.758 30 50 FFEA C/N=C(/O)c1cccc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1 328635939 NUWXURHSQYGSKK-AZUAARDMSA-N 369.513 2.869 30 50 FFEA C[C@H](/N=C(/O)N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@@H]1CCCO1 328635747 VAUUPOSFBUIJLC-AVGNSLFASA-N 374.407 2.878 30 50 FFEA C=CCc1cc(C(=O)NCc2nc3cccnc3[nH]2)cc(OC)c1OC 170606170 PVYBOFFYULWNMO-UHFFFAOYSA-N 352.394 2.634 30 50 FFEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCCc1cccs1)C2 19220441 RBTFGMMUSDZZPX-AWEZNQCLSA-N 358.511 2.522 30 50 FFEA CC1(C)OB(c2cc(C(=O)NC3CCCCC3)cc([N+](=O)[O-])c2)OC1(C)C 169919452 SBGOKBMAWPQJPF-UHFFFAOYSA-N 374.246 2.957 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)N=N1 2325892167 CNJAURBDYOQQCP-UHFFFAOYSA-N 367.388 2.973 30 50 FFEA C/C=C\C[C@H](C)C[C@H](C)/C(O)=C1/C(=O)N[C@H]([C@@H](O)c2ccc(O)cc2)C1=O 2332924317 IWIISBMWNKBQQH-UALMUEJWSA-N 373.449 2.934 30 50 FFEA C=CCC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 12301325 XROXEWWTRXNKIV-IBGZPJMESA-N 369.509 2.582 30 50 FFEA COc1ccc(/C=N/n2c(S)nnc2-c2ccccn2)c(OC)c1OC 5432864 GMIZYBWAXVWLQI-VXLYETTFSA-N 371.422 2.537 30 50 FFEA CO[C@H](C)/C(O)=N/C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 328605008 LWVGJMARRHHIPO-FHSNZYRGSA-N 374.416 2.522 30 50 FFEA COc1ccc(N2C(=O)C[C@@H](S/C(N)=N/c3ccccc3)C2=O)cc1 13550135 NHDWRKZDZXTELC-OAHLLOKOSA-N 355.419 2.707 30 50 FFEA N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1/N=C/c1ccc(-c2ccccc2)cc1 137154853 XFUBLXIBBIUHKG-NPRBDRBFSA-N 371.487 2.837 30 50 FFEA Nc1nc(C(F)(F)F)cc(=O)n1/N=C/c1ccccc1C(F)(F)F 6926827 GUYGERJMIZAHJW-AERZKKPOSA-N 350.222 2.745 30 50 FFEA CS(=O)(=O)C1(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)CCC1 332491068 SRYFIBSBZPOYSN-NSHDSACASA-N 361.250 2.642 30 50 FFEA C[C@]12C[C@H](O)[C@@]3(F)[C@H](CCC4=CC(=O)CC[C@]43C)[C@@H]1CC[C@@]21OCC1=O 257357408 NVDNCLODVOXYKU-JXJRQGLWSA-N 362.441 2.919 30 50 FFEA Cc1nc(C/C(N)=N/OCC2CCN(C(=O)OC(C)(C)C)CC2)cs1 225827538 SSBMPBIURUCCFN-UHFFFAOYSA-N 368.503 2.930 30 50 FFEA Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccccc2)cc1 18038112 WBJFWEZGXJCXKS-SFHVURJKSA-N 351.402 2.956 30 50 FFEA CCc1ccc(OCC(=O)O/N=C(\N)Cc2ccc([N+](=O)[O-])cc2)cc1 4802559 RRMQYIRIKRPGJD-UHFFFAOYSA-N 357.366 2.594 30 50 FFEA Cc1cccn2c3c(nc12)CNC(=O)C[C@@H]3c1ccc(C#CC(C)(C)O)cc1 65396244 QRJMDXSLFGCGTO-GOSISDBHSA-N 373.456 2.917 30 50 FFEA N#Cc1cc(Cl)ccc1CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 185252761 OMKBWSKCCVGTFO-IBGZPJMESA-N 367.792 2.941 30 50 FFEA Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)o1 19928001 SQWMHSBMJPOGHH-KRWDZBQOSA-N 372.396 2.867 30 50 FFEA CC(C)(C)OC(=O)CCC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 1857780200 RWYXWZZYNKIKOM-UHFFFAOYSA-N 365.279 2.898 30 50 FFEA Cc1cc(C)n(C/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328637503 VZXIUJWWVKCDFB-LBPRGKRZSA-N 355.364 2.934 30 50 FFEA CC1(C)CC(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC(C)(C)N1 287211520 UAGVVGNZJQWIAU-HNNXBMFYSA-N 372.488 2.949 30 50 FFEA Cc1nn(CC(=O)O)c(C)c1-c1cc(-c2cccc(F)c2)c(C#N)c(N)n1 71776452 GVLDZXBVFFACOV-UHFFFAOYSA-N 365.368 2.907 30 50 FFEA CCCn1cnnc1CN(C)C(=O)c1ccc(-c2ccc(C#N)nc2)cc1 426632815 ARECHYAVDKIDIM-UHFFFAOYSA-N 360.421 2.894 30 50 FFEA Cc1ccc(CC(=O)N[C@H]2CCN(c3ccncc3C#N)C[C@@H]2C)s1 1875338706 ILFZQKOGUNQGKY-GUYCJALGSA-N 354.479 2.897 30 50 FFEA CCC#CCN1CCC2(CC1)CC(=O)N(CC[C@H]1CC1(F)F)CCO2 1857692371 BKDIZYVRGGJNNQ-INIZCTEOSA-N 354.441 2.529 30 50 FFEA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(C#N)cc1 20482072 GBOROGWDDQFQOH-UHFFFAOYSA-N 354.406 2.919 30 50 FFEA C=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N3CCCC3)nc2c1=O 72421983 HKHUWXAVABQEDU-UHFFFAOYSA-N 366.396 2.724 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(C(=O)Cc1ccc(N(C)C)cc1)CC2 91794157 OFJOQXJRIQLIHJ-UHFFFAOYSA-N 369.509 2.712 30 50 FFEA O=C1C=C[C@H](Nc2cccc([N+](=O)[O-])c2)[C@@H]1Nc1cccc([N+](=O)[O-])c1 1588913 JWGRDMALPJVFAG-RDJZCZTQSA-N 354.322 2.903 30 50 FFEA CC(C)NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N 20406584 XBNJTPMHEYJQRJ-UHFFFAOYSA-N 357.464 2.752 30 50 FFEA Cc1ccc(/C=N/OC(=O)c2c(I)cnn2C)cc1 2747472 OBQGAAAOYPPNQH-FRKPEAEDSA-N 369.162 2.524 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(c1nccc(C(F)(F)F)n1)CC2 92080459 CQMBNSYQVOXQAA-UHFFFAOYSA-N 354.376 2.890 30 50 FFEA CCN(CC)c1ccc(C=NN2CCN(c3ccccn3)CC2)c(O)c1 239846267 LATNZNGZFSHVLP-UHFFFAOYSA-N 353.470 2.790 30 50 FFEA COC(=O)C1=C(C(=O)c2cccs2)[C@@H](c2ccccc2)N2NN=NC2=N1 4851794 DVYRFAQRAUUDRH-CQSZACIVSA-N 367.390 2.656 30 50 FFEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCCCSC)C2 20137619 MLHSZILASIWHDX-HNNXBMFYSA-N 362.543 2.505 30 50 FFEA C=C(C)CN(C)c1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)cn1 19144154 HEUBZNXIHYTIIL-KRWDZBQOSA-N 353.470 2.843 30 50 FFEA Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccccc2)cc1 12970189 WBJFWEZGXJCXKS-GOSISDBHSA-N 351.402 2.956 30 50 FFEA N/C(=N\OC(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 18161681 NQTXZASVKCMEQW-UHFFFAOYSA-N 364.155 2.835 30 50 FFEA C[C@H]1C[C@H]2O[C@H]2/C=C/C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 100013323 WYZWZEOGROVVHK-PDBULWJPSA-N 364.781 2.692 30 50 FFEA in-vitro O=C(ON1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)c1cccnc1 2848113 QLYOLGPZOGQIPZ-UHFFFAOYSA-N 363.285 2.511 30 50 FFEA Cn1cc(C#N)c(NC(=O)CCc2cc(Br)ccc2F)n1 127501593 CETGAEXSRWPLSL-UHFFFAOYSA-N 351.179 2.765 30 50 FFEA CC(C)(C#N)c1ccccc1CN1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1 285460718 KEYIFJDQLAWKSO-PKOBYXMFSA-N 355.482 2.590 30 50 FFEA CCNC(=O)[C@@H]1C[C@H](Nc2ncccc2C#N)CN1Cc1ccc(C)s1 96147818 HCJYDYGHYKDEDC-RDJZCZTQSA-N 369.494 2.514 30 50 FFEA N#Cc1c(F)cccc1-n1ccc(NC(=O)NCC[C@@H](O)C2CCCC2)n1 1476401357 LIFIWJSFQKSAOS-QGZVFWFLSA-N 371.416 2.946 30 50 FFEA CC1(C)Cc2ccc(C(=O)N3CCc4c(sc(N)c4C#N)C3)c(O)c2O1 134628414 FOGMWSXXZAGMBS-UHFFFAOYSA-N 369.446 2.820 30 50 FFEA COc1ccccc1CCC(=O)N1CCCN(c2ncccc2C#N)CC1 55740718 AFMBIFDEYBGMIV-UHFFFAOYSA-N 364.449 2.633 30 50 FFEA COc1cccc(CN2CCC[C@@H](NCc3cc(C#CCO)cs3)C2)c1 20914301 TVUHIEQYLWLVSL-LJQANCHMSA-N 370.518 2.855 30 50 FFEA Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)cc1O 220321345 OXKHPHKQUFGJHH-IEBWSBKVSA-N 352.390 2.539 30 50 FFEA C=CCCC(=O)N1CCC[C@@]2(CN(Cc3ccc(OC)cc3)CC[C@H]2O)C1 1857694828 JTRVXGVZLFJGGT-IFMALSPDSA-N 372.509 2.837 30 50 FFEA C=CCn1c(SCC(N)=O)nc2scc(-c3ccc(C)o3)c2c1=O 1100427 VKOPAGOCGKPVBY-UHFFFAOYSA-N 361.448 2.790 30 50 FFEA N#Cc1ccc(N2CCN(c3cccc(-n4cccc4)c3C#N)CC2)nc1 2325868289 VTIDMCMFHZNCKN-UHFFFAOYSA-N 354.417 2.942 30 50 FFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC 2801496 HJOOWPGVFQGLDO-IBGZPJMESA-N 371.433 2.853 30 50 FFEA C=CCOc1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 6701192 CIZVLSHJVMLUCS-UHFFFAOYSA-N 360.435 2.900 30 50 FFEA CC(C)(O)[C@@H]1CCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 376114481 JMPWTSSYIVDNPY-SFHVURJKSA-N 359.445 2.676 30 50 FFEA O=C1C=C[C@H]2[C@H](S(=O)(=O)c3ccccc3)C[C@H]1N2Cc1ccccc1 245257076 WNGVMMCXHOLEQG-NLWGTHIKSA-N 353.443 2.611 30 50 FFEA C=CC[C@]1(C(=O)NCCC2CC(O)C2)CCCN(C(=O)OC(C)(C)C)C1 1875278171 GAIJWLNOPUVOQA-PMTKGXAQSA-N 366.502 2.857 30 50 FFEA CN(C)Cc1cc(O[C@@H]2CCN(c3ncc(C#N)cc3Cl)C2)ccn1 886041122 WNFLBRUASICGDJ-MRXNPFEDSA-N 357.845 2.721 30 50 FFEA O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1ccc(N3CCCCC3)o1)[C@H]1C=C[C@H]2C12CC2 169689189 WIMVPYBEPMZMEC-REEDHZAKSA-N 365.433 2.801 30 50 FFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCC 716030 YKVFPXJTTJBBLM-INIZCTEOSA-N 357.406 2.940 30 50 FFEA C=CCOC(=O)N1CCC(Oc2ccc3ncccc3c2)(C(=O)O)CC1 65531275 YXXPJNYXIZGDEO-UHFFFAOYSA-N 356.378 2.855 30 50 FFEA N#C[C@@]1(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CCSC1 225552918 IFVSNWYDYFJBEA-AWEZNQCLSA-N 368.340 2.884 30 50 FFEA N#Cc1cccnc1-n1cc(NC(=O)c2ccoc2Br)cn1 193979796 HXMMURVMYJFWTA-UHFFFAOYSA-N 358.155 2.747 30 50 FFEA Cc1c(/N=C/C(Cl)=C(/Cl)C(=O)O)c(=O)n(-c2ccccc2)n1C 3130482 JJNFVIVROLXOPY-WTKUFODXSA-N 354.193 2.961 30 50 FFEA NC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 1215889 MABSVKAFMBKCKA-GIDUJCDVSA-N 369.200 2.784 30 50 FFEA C=CCOc1ccccc1/C=c1/sc2nc(-c3ccccc3)nn2c1=O 2533486 CWOFMMRAKHVVSE-GHRIWEEISA-N 361.426 2.931 30 50 FFEA C=C(Cl)CCC(=O)NC[C@@H](C)CNC(=O)c1c(C)noc1C1CC1 2325866954 GHGHBEHGHIGJMN-SNVBAGLBSA-N 353.850 2.875 30 50 FFEA COC[C@@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CCO1 369628997 JBWWSJGTPGQWMO-IBGZPJMESA-N 351.406 2.789 30 50 FFEA N#CC1(c2ccccn2)CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 370315007 PCVSCWYWDPHENK-QGZVFWFLSA-N 355.413 2.518 30 50 FFEA COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(C#N)cc2)C(=O)C1 82109570 QPIWCPGWUVQPJT-UHFFFAOYSA-N 369.808 2.709 30 50 FFEA COc1cc(OC)nc(-c2ccc(C(=O)N3CCC[C@H](C#N)C3)cc2)n1 426502828 COZDGNAIOLTJIF-CYBMUJFWSA-N 352.394 2.537 30 50 FFEA N#Cc1cccc(NC(=O)N[C@@H](Cc2c[nH]c3cccc(F)c23)C(=O)O)c1 1875320108 GZOVPSJLVBMTQC-INIZCTEOSA-N 366.352 2.996 30 50 FFEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2ccccc2OC)CC1 281812794 NXLBRYWMJRAWJM-LPHOPBHVSA-N 359.470 2.508 30 50 FFEA COc1cnc(N/C(O)=N/[C@@H]2CCCN(C3CCCCC3)C2=O)s1 329238008 KTELCAYZVIWZNW-GFCCVEGCSA-N 352.460 2.801 30 50 FFEA CN1CC[C@H](/N=C(/O)N2CCOc3cc(O)ccc3C2)[C@@H]1c1ccccc1 329400520 XUSRGJISLLQPDO-ICSRJNTNSA-N 367.449 2.946 30 50 FFEA CCCOc1ccc(N2C(=O)C[C@H](S/C(=N/CC)NCC)C2=O)cc1 2186926 QUXFVJMXPDQKLR-HNNXBMFYSA-N 363.483 2.826 30 50 FFEA Cc1ncnc(N2CCN(c3cccc(Br)c3)CC2)c1C#N 2325867926 JMSCFNZTHRFIPZ-UHFFFAOYSA-N 358.243 2.746 30 50 FFEA Cc1ccc(S(=O)(=O)/N=C(/c2ccccc2)N2CCOCC2)c(C)c1 100527712 WONDZTYMSLFYEG-VXPUYCOJSA-N 358.463 2.771 30 50 FFEA C[C@@H]1CCCC[C@@H]1/N=C(/O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328645951 ZVVVFJISXSNHSS-RYRKJORJSA-N 373.501 2.943 30 50 FFEA COc1cccc([C@@H]2O[C@@]3(C)OC(=N)[C@@]2(C#N)C(C#N)(C#N)[C@H]3C)c1OC 137641388 HMNONSNRPYFUCY-FGLZHVGKSA-N 366.377 2.678 30 50 FFEA COC[C@@H](C)N(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C#N)nc1 96136719 GKMZNQGVBSSYAO-CYBMUJFWSA-N 368.393 2.751 30 50 FFEA COc1ccc(C(=O)/C=C/N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 263584789 ARSZJSLBICRBET-ZMMKQQPBSA-N 350.418 2.673 30 50 FFEA biogenic Cc1cc(-c2cccc(C(=O)N[C@H](C)Cn3cncn3)c2)nc(C)c1C#N 584890274 LAOZZFRTSATIJJ-CQSZACIVSA-N 360.421 2.647 30 50 FFEA N#CC1(CCCN2CCN(C(=O)Cc3ccccc3F)CC2)CCOCC1 282005723 NZURYDHCRTYVGO-UHFFFAOYSA-N 373.472 2.613 30 50 FFEA N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)CCN2 414903062 LJJQDZXNDDRDPM-QUCCMNQESA-N 374.444 2.891 30 50 FFEA Cc1sc(NC(=O)CCn2cnc3ccccc3c2=O)c(C#N)c1C 818885 SFFZBTGVQUJDSK-UHFFFAOYSA-N 352.419 2.975 30 50 FFEA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCCN(c2ccccc2C#N)CC1 229690129 BOQMJLYQHDGKAH-PKOBYXMFSA-N 371.481 2.571 30 50 FFEA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC(C#N)(c2ccccn2)CC1 367093862 VNFPFBDBNRDHHX-CQSZACIVSA-N 351.454 2.999 30 50 FFEA C=CCN(Cc1ccc(F)cc1)Cc1ccc(CN(C)S(C)(=O)=O)o1 55386839 QILGAVCHCCECEW-UHFFFAOYSA-N 366.458 2.998 30 50 FFEA O=C(O)COc1cccc(/C=N/n2c(S)nnc2-c2ccc(F)cc2)c1 225385646 UYIPOVLRGPTRCQ-DJKKODMXSA-N 372.381 2.719 30 50 FFEA C=CCNC(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2=O)C1 14967186 XRQNQAUDQHYADU-OAQYLSRUSA-N 355.482 2.829 30 50 FFEA C=C(Cl)CCC(=O)N1CCN(C(=O)c2cccc(COC)c2)CC1 2325867406 VEMLMOWZMYGTIL-UHFFFAOYSA-N 350.846 2.650 30 50 FFEA O=S(=O)(/N=C(/c1ccccc1Cl)N1CCOCC1)c1ccccc1 100519069 AGDHJLCLXHIDFO-ZPHPHTNESA-N 364.854 2.808 30 50 FFEA O/C(=N/[C@@H]1CCN(Cc2ccccc2)C1)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 329423390 GBUPGTPWCRKWBW-FDNSPFKTSA-N 369.509 2.848 30 50 FFEA Cc1cccc2c1OC[C@@H](/N=C(/O)N1CCOc3cc(O)ccc3C1)C2 329640707 XFVXOJTWXPQTDB-INIZCTEOSA-N 354.406 2.813 30 50 FFEA CCOC(=O)[C@H]1CCCN(CC/C(O)=N/c2cc(OC)ccc2OC)C1 82117429 KKCXLTDHQXIDPD-AWEZNQCLSA-N 364.442 2.957 30 50 FFEA Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)cc(C)n1 223374183 AQGBCMXBVURACG-RTBURBONSA-N 351.406 2.536 30 50 FFEA CC1(C)CC(=O)C=C(C(=O)N2CCO[C@H](CCCc3ccccc3)C2)O1 19782290 JYDQXGYQDQEBAH-GOSISDBHSA-N 357.450 2.889 30 50 FFEA Cc1snc(S(=O)(=O)/C(C#N)=N\Nc2ccc(Cl)cc2)c1C#N 12953463 LXTGGXOAUYYIHW-PDGQHHTCSA-N 365.827 2.699 30 50 FFEA Cc1cc(C)c(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 175915103 XYYNFIRACOKOKT-UHFFFAOYSA-N 366.377 2.979 30 50 FFEA C#CCCC1(CCNC(=O)CC2=NN(c3cccc(Cl)c3)C(=O)C2)N=N1 1875368590 CHDYGOUERCWXQJ-UHFFFAOYSA-N 371.828 2.905 30 50 FFEA C[C@@H](c1cccc(C#N)c1)N1CCN(CC(=O)NC2CCCCC2)CC1 186281664 MBWMGKKXKBYBRT-KRWDZBQOSA-N 354.498 2.686 30 50 FFEA N#Cc1c[nH]c(C(=O)N2CCC3(CC2)C[C@@H](O)C[C@H](c2ccccc2)O3)c1 1857730846 ZSEUCTRSYQMXFI-PKOBYXMFSA-N 365.433 2.774 30 50 FFEA C#CCCC1(CCC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)N=N1 2325892208 FAIOROAYCLGNIJ-KRWDZBQOSA-N 352.438 2.822 30 50 FFEA C#CCCC1(CCC(=O)N2CC[C@H](c3ccccc3)[C@H]2C(=O)OC)N=N1 2325892906 PONCFEYJYKMVLW-AEFFLSMTSA-N 353.422 2.900 30 50 FFEA COC(=O)c1ccccc1NC(=O)C[n+]1ccc(-c2cccs2)nc1 2529452 RAYPFOXDDBKADJ-UHFFFAOYSA-O 354.411 2.523 30 50 FFEA CCCN1CCN(CCC/N=C(/S)Nc2ccc(OC)cc2)CC1 22797754 LBMTZBPJZPWPCS-UHFFFAOYSA-N 350.532 2.811 30 50 FFEA C=CCN1CC[C@@H](CNC(=O)CCSc2ccc3c(c2)OCCO3)C1 65370100 JCXDMDVQMREJCR-HNNXBMFYSA-N 362.495 2.564 30 50 FFEA Cc1nc(O)ccc1/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328626371 LQJCODXNHYBQBP-SNVBAGLBSA-N 354.332 2.878 30 50 FFEA N#C[C@]12C(N)=NC3(OCCO3)[C@@]1(C#N)[C@H]2c1cccc(Oc2ccccc2)c1 14944556 MQQOEURYPNQMQJ-IHPCNDPISA-N 372.384 2.667 30 50 FFEA COc1ccc(-c2nn(Cc3cc(Cl)cc(C#N)c3)c(=O)s2)cn1 1875408571 ZKLLEOIEEAKAHF-UHFFFAOYSA-N 358.810 2.949 30 50 FFEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)Cc2ccc(F)cc2)cc1 1565530989 DBLJZVMWWJSALQ-OALUTQOASA-N 354.381 2.593 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(F)cc1 5045105 MKWNTEQYMDHNIN-MRXNPFEDSA-N 359.353 2.952 30 50 FFEA Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)cc1 17180061 KHBCCFUZWYQXNU-KRWDZBQOSA-N 354.406 2.728 30 50 FFEA O=C1C=C(c2ccccc2)C[C@H](c2ccccc2)[C@H]1n1nnc([N+](=O)[O-])n1 3088100 AWJFAYCECIVOOU-SJLPKXTDSA-N 361.361 2.963 30 50 FFEA N#Cc1cc(-n2ccnc2-c2cc3n(n2)CCCNC3)ccc1N1CCCC1 72477788 YCYDXGSUWXBCAK-UHFFFAOYSA-N 373.464 2.701 30 50 FFEA CC(C)(O)Cn1nc(COc2ccc(F)cc2)nc1-c1cc(C#N)c[nH]1 826761657 YBJMERAIQCLORN-UHFFFAOYSA-N 355.373 2.634 30 50 FFEA Cc1c(C(=O)Nc2cccc(C#N)c2Br)cnc2ccnn12 2325819705 NPWZYPOPAHDLFU-UHFFFAOYSA-N 356.183 2.924 30 50 FFEA C#CCCC1(CCC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)N=N1 2325892720 YUTCSBZZUIDBKZ-RDJZCZTQSA-N 352.438 2.648 30 50 FFEA C=C(C)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 661003 IOXNZOBQOAKFJV-UHFFFAOYSA-N 370.430 2.893 30 50 FFEA C=CCNC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 2838031 AVNIUOXZARIGQA-UHFFFAOYSA-N 358.463 2.877 30 50 FFEA O=C1C(Nc2ccc(F)c(F)c2)=C(N2CCOCC2)C(=O)c2ccccc21 4725380 CUAVEZVVHBUZSC-UHFFFAOYSA-N 370.355 3.000 30 50 FFEA COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2nc(S)[nH]c(=O)c21 6675178 BSPGRCAHAKHVSW-ZDUSSCGKSA-N 355.419 2.632 30 50 FFEA COc1nccc(N2CCC(c3cc(N4CCCC4)ncn3)CC2)c1C#N 72479827 MBTSSQXLSXPABV-UHFFFAOYSA-N 364.453 2.736 30 50 FFEA C=CC(=O)Nc1ccc(C(=O)N[C@H]2[C@H](C#N)CCC23CCOCC3)cc1 1875371150 QVFCSEHMHBITHY-YJBOKZPZSA-N 353.422 2.640 30 50 FFEA Cc1nnc(N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)c(C#N)c1C 275466205 AEFHSLHOLYZAEH-INIZCTEOSA-N 368.510 2.913 30 50 FFEA N#CC(CCN1C[C@@H]2CNC(=O)C[C@@H]2C1)(c1ccccc1)c1ccccc1 1800414350 OKQNDROZYZAMKR-MOPGFXCFSA-N 359.473 2.954 30 50 FFEA Cc1ccc2nc(N3C[C@H](C(=O)N4CCC(C#N)CC4)CC3=O)sc2c1 1857726921 FORYFTZCGCLMAP-CQSZACIVSA-N 368.462 2.720 30 50 FFEA C#CCCC1(CCNC(=O)c2ccc(OC3CCN(C)CC3)cc2)N=N1 2325887289 CGXSLUHDJGZUFK-UHFFFAOYSA-N 354.454 2.855 30 50 FFEA N#Cc1ccc(N2CCN(C[C@]3(c4cccc(F)c4)CCOC3)CC2)nc1 20820929 KKKTWGNNOVCTIR-OAQYLSRUSA-N 366.440 2.573 30 50 FFEA CN(Cc1nccs1)[C@@H]1CC12CCN(/C(O)=N/C[C@H]1CCCO1)CC2 328646676 SUJMOGYQYBAQOE-HUUCEWRRSA-N 364.515 2.522 30 50 FFEA Cc1cccnc1CN1CCN(Cc2ccc(C#CC(C)(C)O)cc2)CC1 215188552 WJHYGLQNVQZOQF-UHFFFAOYSA-N 363.505 2.830 30 50 FFEA C[C@@]1(C2CC2)CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCO1 952994901 YYBQPBLLYXHLIR-IBGZPJMESA-N 369.400 2.916 30 50 FFEA C#CCN1C(=O)S/C(=C/c2cc(Br)cc(OC)c2O)C1=O 1161302 AQONLZHYLCBEQV-IZZDOVSWSA-N 368.208 2.833 30 50 FFEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C(=O)OC)cc1 19536368 OUTDMSLBYKDQIA-KRWDZBQOSA-N 355.390 2.614 30 50 FFEA N#Cc1cc2c(=O)n(CCN3CCC[C@@H](c4ccccc4)C3)ccc2nc1O 67675949 FXWXQCPMWIWVRU-QGZVFWFLSA-N 374.444 2.853 30 50 FFEA N#Cc1ccccc1CN1CCCN(C(=O)c2ccc(Cl)cn2)CC1 1529101852 OPLZCQCSILADTA-UHFFFAOYSA-N 354.841 2.955 30 50 FFEA C/C(=N\C(=S)/N=c1\nc(C)cc(O)[nH]1)c1ccc(Br)cc1 6694224 KRKLCKGKCPPIOQ-RQZCQDPDSA-N 365.256 2.881 30 50 FFEA C=CCn1nc(C)c([C@@H]2CC(=O)Nc3cc(NS(C)(=O)=O)ccc32)c1C 65421266 AKAWTRREPBQOQJ-OAHLLOKOSA-N 374.466 2.532 30 50 FFEA Cc1ccc(CC(=O)N[C@@H]2CCN(c3ccncc3C#N)C[C@@H]2C)s1 1875338707 ILFZQKOGUNQGKY-SUMWQHHRSA-N 354.479 2.897 30 50 FFEA COc1cc(CN[C@H]2CC[C@H](C(F)(F)F)N(C(C)=O)C2)ccc1C#N 886060580 NNOYUFHDSWAGKQ-GOEBONIOSA-N 355.360 2.598 30 50 FFEA COc1ccc(/C(N)=N/OC(=O)c2cc(Cl)ccc2OC)cc1OC 5013033 YYOKQBFKUOANDD-UHFFFAOYSA-N 364.785 2.843 30 50 FFEA CCN(CC)CC(=O)N(C)[C@@](C#N)(c1ccc(OC)c(OC)c1)C(C)C 19891643 HSZOKSIISLTYDO-HXUWFJFHSA-N 361.486 2.879 30 50 FFEA N#CCNC(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 2262485 NCYDTDPJTYMRTJ-UHFFFAOYSA-N 371.322 2.767 30 50 FFEA Cc1nnc(N=C(O)[C@H]2CCO[C@@H]2c2ccnn2Cc2ccccc2)n1C 328602214 AUYDLIBHNXITJS-RDJZCZTQSA-N 366.425 2.734 30 50 FFEA Cc1cc(/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)cc(O)n1 328616798 CBDXYLMIRWWJBN-SNVBAGLBSA-N 354.332 2.878 30 50 FFEA CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 286749499 LPDABNKZMPAODI-OXJNMPFZSA-N 355.461 2.946 30 50 FFEA Cc1nnc2n1[C@@H](C)CN(C(=O)CC1=C(c3ccccc3)CCC1=O)C2 96141300 NWZHAUHUFLZFQS-ZDUSSCGKSA-N 350.422 2.697 30 50 FFEA C[C@@H]1C[C@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 253987424 WYZWZEOGROVVHK-DFKRKDTASA-N 364.781 2.692 30 50 FFEA biogenic,in-vivo C=CCn1ncc2c(O)nc(=Nc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)[nH]c21 1875273660 YIUCVZCKAMTGAR-BBRMVZONSA-N 362.437 2.872 30 50 FFEA CC(C)[C@H](C#N)CS(=O)(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 1875321089 UEMWWKQQATZLDV-OAHLLOKOSA-N 358.467 2.778 30 50 FFEA N#Cc1cc2c(nc1O)C[C@H]1CC[C@H]2N1C(=O)C1(c2ccc(F)cn2)CC1 1875405880 QODVIXCPOBDBSS-CZUORRHYSA-N 364.380 2.513 30 50 FFEA N#CCc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 1061442 INFKSRLTQWNLNS-UHFFFAOYSA-N 355.419 2.680 30 50 FFEA C=CC[C@@]1(NC(=O)C2=C(C)CCC2)CCN(C(=O)/C=C/c2ccnn2C)C1 2325879473 WRDASTAMCWLWCP-MHNQQFQPSA-N 368.481 2.597 30 50 FFEA C=CC[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2[C@H](C(=O)OC)[C@H]3C=C[C@@]12O3 2126624 RQCWAQWAWPQZFH-NTODXPRQSA-N 359.809 2.744 30 50 FFEA biogenic COc1cc(OC)c(/C=N/n2c(S)nnc2-c2cccnc2)c(OC)c1 6004268 BAURXCSTUAZMKV-VXLYETTFSA-N 371.422 2.537 30 50 FFEA C=CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCCC1CCN(CCC)CC1 55119958 XZPUDRGYMNUOMG-MOPGFXCFSA-N 363.546 2.723 30 50 FFEA Cc1cc(C[C@@H]2CN(Cc3ccc(-c4ccccc4C#N)o3)C[C@H]2O)n[nH]1 1857716073 VGDBOXYFTSJJAC-OXQOHEQNSA-N 362.433 2.885 30 50 FFEA CN1CC[C@@H](N2CCC(/N=C(/O)Cc3c(F)cccc3Cl)CC2)C1=O 329054023 AMDVKHOQMIMDBP-MRXNPFEDSA-N 367.852 2.673 30 50 FFEA O=C(C#CC1(C(F)(F)F)CC1)N1CCC[C@H](C(=O)N2C[C@H]3CC[C@H]2C3)C1 2325805531 OWYQJRYZHTYVBT-KKUMJFAQSA-N 368.399 2.582 30 50 FFEA Cc1nc2c([nH]1)[C@@H](C(=O)N1CCO[C@H](c3ccc(C#N)cc3)C1)CCC2 2325806375 MALOMRCFSMSFPN-WMZOPIPTSA-N 350.422 2.610 30 50 FFEA N#Cc1c(-c2ccc(OCC(N)=O)c(Cl)c2)cc(C2CCC2)nc1N 67967429 UOISRFDFPTVXRA-UHFFFAOYSA-N 356.813 2.987 30 50 FFEA N#Cc1ccccc1-c1ccc(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1 426599470 CJGNJLALFLVNJH-OAHLLOKOSA-N 359.429 2.966 30 50 FFEA CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)OC1(C)C 199593615 CTQFFZXZJQGQAG-UHFFFAOYSA-N 370.516 3.000 30 50 FFEA in-vitro C[C@@H](Oc1ccc(/C=C/C(=O)c2cccc(OCC(=O)O)c2)cc1)C(=O)O 794694763 HCDOGCRAUFGPJB-UTSBKAFOSA-N 370.357 2.898 30 50 FFEA C#CCCC1(CCC(=O)N(Cc2ccccn2)[C@@H]2CCCNCC2)N=N1 2325901179 WXPJUWOVIHUVSZ-GOSISDBHSA-N 353.470 2.908 30 50 FFEA Cc1cc(C)c(C)c(OCC(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)c1 4913170 FCOULURUUVNUHT-UHFFFAOYSA-N 357.366 2.763 30 50 FFEA Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2C#N)cc1C 9295421 NDVAKOUZGQLICN-UHFFFAOYSA-N 364.434 2.882 30 50 FFEA CC(C)=CCN1CCN(Cc2ccc(C#CC(C)(C)O)cc2)C[C@H]1CCO 104318215 USUCEBPIGBWLCO-JOCHJYFZSA-N 370.537 2.644 30 50 FFEA C=CCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)N1CC=CCC1 67773880 FYUZNFZVAXQOLU-SFHVURJKSA-N 353.422 2.668 30 50 FFEA CN1C(=O)C[C@@H](C/N=C(/O)C2CC2)[C@@H]1c1cnn(Cc2ccccc2)c1 328608394 YWALAFKJFHBAEL-QFBILLFUSA-N 352.438 2.817 30 50 FFEA Cc1ncc(-c2c(C#N)c(N)nc3c2CN(c2ccc(F)cc2)CC3)n1C 72174250 ASMMNBNHBFFILQ-UHFFFAOYSA-N 362.412 2.946 30 50 FFEA CN(C(=O)C1=CC(=O)CC(C)(C)O1)[C@@H]1CCCN(CCc2ccccc2)C1 12469399 GQJKKENNZPDUEK-GOSISDBHSA-N 370.493 2.804 30 50 FFEA C#CCCC1(CCNC(=O)[C@@H](Cc2ccccc2)N2CCCOC2=O)N=N1 2325891119 RKIMOQQRFOZXPX-QGZVFWFLSA-N 368.437 2.522 30 50 FFEA C=CCn1cc(CNC23C[C@@H]4C[C@H](C2)CC(n2nnc(C)n2)(C4)C3)c(C)n1 55199188 KXYFUPVIINDMHY-FWYSVENZSA-N 367.501 2.510 30 50 FFEA N#Cc1ccc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1 71750164 QHLZYFAKGPYYSO-IBGZPJMESA-N 366.509 2.513 30 50 FFEA N#Cc1ccc2c(c1)N(C(=O)C(=O)Nc1cccc(Br)c1)CC2 328596722 UKPKXDSBWLHADZ-UHFFFAOYSA-N 370.206 2.849 30 50 FFEA N#Cc1cccc(CN2CCCN(C(=O)Cc3ccc4c[nH]nc4c3)CC2)c1 2325821980 RWWQJGZQLDNOQH-UHFFFAOYSA-N 373.460 2.712 30 50 FFEA C=CCOn1c(=O)c(-c2ccc(OCCC)cc2)[n+]([O-])c2ccccc21 4838716 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NSZSMBGAYLRDMU-OAQYLSRUSA-N 362.477 2.818 30 50 FFEA N#Cc1cccc(NC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)c1 91678961 YPYXMUGKSOWLSZ-MAUKXSAKSA-N 352.438 2.813 30 50 FFEA N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 183243113 HUHKRGZFJNTIDA-MRXNPFEDSA-N 364.373 2.678 30 50 FFEA C=CCOc1cc(Cl)c(CN2CCC[C@](O)(CN(C)C)C2)cc1OC 820491564 RMPCZENVXWGRPH-IBGZPJMESA-N 368.905 2.802 30 50 FFEA Cc1ccc([C@]23C[C@H]2CN(C(=O)C(=O)N2CCC[C@](C)(CC#N)C2)C3)cc1 2325807339 SHVXESCCMOQELZ-VLCRHTCISA-N 365.477 2.637 30 50 FFEA CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1OC 105227933 MJKLNCOKKURFGN-VQRQYWEJSA-N 366.417 2.625 30 50 FFEA Cc1ccc([C@@H]2c3nc[nH]c3CCN2Cc2cc(C#CCO)cs2)o1 67851993 CJRWKIQGBDZUDO-LJQANCHMSA-N 353.447 2.864 30 50 FFEA OCC#Cc1ccc(CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)cc1 1529105143 WUPLHIRZOSAOLD-ZJSXRUAMSA-N 372.468 2.614 30 50 FFEA C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S1)C(C)C 5481646 TVOGTZZDJQYQEY-RNDVCUHJSA-N 350.419 2.774 30 50 FFEA Cc1cc(C#N)cc(C)c1C(=O)N[C@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@@H]1O 1857531198 KGQSKEWVHUOFKS-PVAVHDDUSA-N 372.856 2.595 30 50 FFEA CCOc1cc(C#N)c(NC(=O)Cn2nnc3ccccc32)cc1OCC 1080811 NEMDVKNCMOPRKJ-UHFFFAOYSA-N 365.393 2.739 30 50 FFEA C#CCCC1(CCNC(=O)CCc2ccc(OCCN(C)C)cc2)N=N1 2325891442 HBRLUQSWSRIGJV-UHFFFAOYSA-N 356.470 2.641 30 50 FFEA C#CCCC1(CCC(=O)Nc2cc(N3C(=O)CCC3=O)ccc2C)N=N1 2325892701 XTVONGXUYZYJEE-UHFFFAOYSA-N 352.394 2.943 30 50 FFEA CC(C)(C)OC(=O)N(c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CC1 170006655 OLFWPGZWMZWDEH-UHFFFAOYSA-N 361.251 2.680 30 50 FFEA C#CC[C@@]1(C(=O)NCc2ccc(CNC(=O)C=C)cc2F)CC=CCC1 1875386070 IIGCFRJWTULYHX-OAQYLSRUSA-N 354.425 2.994 30 50 FFEA N#Cc1ccc(C(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cc1 275785737 YYAVMRHXNOEPCP-GOSISDBHSA-N 362.433 2.847 30 50 FFEA CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc(N2CCOCC2)cc1 107354527 URANDPYPPGWLHQ-QOCHGBHMSA-N 363.421 2.714 30 50 FFEA C=CCOc1cccc(CN(CC)C(=O)c2ccnc(-n3cnnc3)c2)c1 55568865 NEBLHQIGCCRFGE-UHFFFAOYSA-N 363.421 2.889 30 50 FFEA C=C(C)CN(CC)C(=O)C1(N2CCN(CC)CC2)Cc2ccccc2C1 23374716 DKCGJZVOPRNKAY-UHFFFAOYSA-N 355.526 2.586 30 50 FFEA COC(=O)c1cn(-c2ccc(C3(C#N)CCCC3)cc2)cc2c(=O)[nH]nc1-2 253412656 RQVMKFNKHMPCNL-UHFFFAOYSA-N 362.389 2.787 30 50 FFEA COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C#N)cc1)c1ccc(F)cc1F 1875254034 OTIJVICKRPSIES-JFIYKMOQSA-N 370.355 2.970 30 50 FFEA CC(C)(O)C#Cc1cccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 952979492 QCFOZENSYMQOMH-LJQANCHMSA-N 366.461 2.969 30 50 FFEA N#Cc1cc(Cl)c(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)c(Cl)c1 887008524 GFRXUJAKURPOOE-CHWSQXEVSA-N 355.221 2.525 30 50 FFEA C[C@H](N[C@@H]1CCCC[C@@H]1Cc1nnc(O)n1C)c1ccc(C#N)c(F)c1 888099031 PNTGTPLRCWROJU-DXCKQFNASA-N 357.433 2.984 30 50 FFEA Cn1cc(N2CCC[C@H](O/N=C/c3ccccc3OC(F)F)C2=O)cn1 170642532 MDYPBSCQZJRUQD-PZEXIZOFSA-N 364.352 2.568 30 50 FFEA O=C(O)C[C@H]1S/C(=N/N=C/c2cccc(Oc3ccccc3)c2)NC1=O 1172010 ASZILSSEGHELLO-SKCQWOFPSA-N 369.402 2.875 30 50 FFEA N#Cc1ccc(C2(C(=O)N3CCC[C@@H](N4CCCCC4=O)C3)CC2)cc1 373554854 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Cc1nc2c([nH]1)[C@@H](C(=O)N1CCO[C@@H](c3cccc(C#N)c3)C1)CCC2 2325806341 ILWZFGQTTIUWSQ-FUHWJXTLSA-N 350.422 2.610 30 50 FFEA C#CCCC1(CCC(=O)N(C)CCNC(=O)Nc2ccc(F)cc2)N=N1 2325899956 GDBDOBCHLSTCMP-UHFFFAOYSA-N 359.405 2.761 30 50 FFEA C=CCn1cc(CN2CCN(c3cccc(OC)c3)C(=O)[C@@H]2C)c(C)n1 55168583 LSXBVVPHEQSRJU-INIZCTEOSA-N 354.454 2.623 30 50 FFEA N#Cc1ccc(N2CCN(C(=O)c3ccnn3C3CCCC3)CC2)c(F)c1 330175477 ZSHTUFHGOZOYIZ-UHFFFAOYSA-N 367.428 2.971 30 50 FFEA CCn1cc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)cc1C#N 91907022 AKFJADFIWNYYJX-VQIMIIECSA-N 363.465 2.511 30 50 FFEA N#Cc1nnc2ccccc2c1N[C@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@@H]1O 1857531467 YSTSDEATGKXEJN-PJQXDXOGSA-N 368.828 2.603 30 50 FFEA C#CCCC1(CCNC(=O)[C@H](C(C)C)n2nnc(-c3ccccc3)n2)N=N1 2325891075 PIUFYSRVGSTFSE-INIZCTEOSA-N 365.441 2.619 30 50 FFEA C=CCNC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 2870463 PWMWQKBMLYYMEQ-UHFFFAOYSA-N 374.462 2.785 30 50 FFEA Cc1n[nH]cc1C/N=C(/O)N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328616661 BYUGWURHXBNZDN-NSHDSACASA-N 370.379 2.542 30 50 FFEA CCN1CCC[C@@H](CN(C)C(=O)c2sccc2C#N)[C@@H]1c1cnn(C)c1 328635118 UMKSBMWFNUXLFX-DOTOQJQBSA-N 371.510 2.898 30 50 FFEA N#Cc1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCCC2 229998595 RYXMVXQAXNBIMW-RJZRQDKASA-N 360.435 2.705 30 50 FFEA C=CCN1CC[C@@]2(CCC1=O)CN(Cc1cc(F)cc(F)c1)CCN2C 91933046 ZGRCVKNXKRTCEF-FQEVSTJZSA-N 363.452 2.650 30 50 FFEA Cc1nc([C@@H]2COC[C@@H]2NCc2ccc(-c3ccccc3C#N)cc2)n[nH]1 1875397890 RTSBXLBQKGRRJG-UXHICEINSA-N 359.433 2.924 30 50 FFEA CCNC(=S)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 2521695 ZIPPNSOGUZYTHN-UDWIEESQSA-N 357.435 2.732 30 50 FFEA Cc1nc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)N=c2cc[nH]cc2C)cs1 328640229 PXABOFFMSGDYGP-ZFWWWQNUSA-N 363.462 2.515 30 50 FFEA CC(=O)N1CCC[C@@H](C/N=C(/O)N2CCC(OC3CCCCC3)CC2)C1 330025292 KKFSWJNFQYKUEK-KRWDZBQOSA-N 365.518 2.973 30 50 FFEA C[C@H]1OCC[C@H]1N/C(O)=N/[C@@H]1CCN(c2cccc(Br)c2)C1 330218620 OVVZNSMVWJEWPL-UXIGCNINSA-N 368.275 2.709 30 50 FFEA C#CCCC1(CCC(=O)Nc2cc3c(cc2C(=O)OC)OCCCO3)N=N1 2325892158 CAEUGEQIAMWHNJ-UHFFFAOYSA-N 371.393 2.929 30 50 FFEA COc1cc(-c2c(C#N)c(N)nc(SC)c2C#N)cc(OC)c1OC 22107324 ZNMBHTLCBFTLSZ-UHFFFAOYSA-N 356.407 2.822 30 50 FFEA CCN(CC)c1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 244899403 ZJFAFNLKQZZYEM-YDRVBMSGSA-N 363.461 2.920 30 50 FFEA CS[C@@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 170640631 CTHTVVJAVGMOFI-HZPDHXFCSA-N 366.508 2.778 30 50 FFEA C/C=N/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 5101799 AOBVVXCUKZEAQC-OBYDGFKYSA-N 359.238 2.915 30 50 FFEA COc1cc(/C=C/c2cc(C(F)(F)F)[nH]c(=O)n2)ccc1OCC#N 4386097 YTMMTBKEOLLTEN-DUXPYHPUSA-N 351.284 2.870 30 50 FFEA CCC[C@]1(CO)CCN(C(=O)CC2=C(c3ccccc3)CCC2=O)C[C@H]1O 1857732826 IYQLWUFOPACEBL-IFMALSPDSA-N 371.477 2.565 30 50 FFEA CN1C(=O)/C(=N\NC(=S)NC23CC4CC(CC(C4)C2)C3)c2ccccc21 6639343 WPECTBYRQRZGDK-XLNRJJMWSA-N 368.506 2.800 30 50 FFEA N#C[C@@]1(/N=C(/O)c2cncc(N3CCOCC3)c2)CCc2ccccc2C1 329979061 IUZPZOBTHABHRC-OAQYLSRUSA-N 362.433 2.674 30 50 FFEA CC/C(=N/NS(=O)(=O)c1cc(OC)ccc1OC)c1ccccc1O 17074888 XFSOVFKFPLIYTJ-JXAWBTAJSA-N 364.423 2.502 30 50 FFEA COCCOc1ccc(/C=N\Nc2ncc(F)c(N3CCCC3)n2)cc1 226095352 IPYDTCPLXUXYLH-MTJSOVHGSA-N 359.405 2.687 30 50 FFEA COc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)ccc1F 223504983 MYLIQWHZOBWKRV-IEBWSBKVSA-N 370.380 2.672 30 50 FFEA COc1nccc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)c1C#N 95497255 GBORHYHUTAOLFO-MRXNPFEDSA-N 374.448 2.986 30 50 FFEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 281535529 SAHOPRQFNYXPEZ-ZOBUZTSGSA-N 362.495 2.840 30 50 FFEA N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H](CO)CN1CCCCC1 241144854 JTRHVDYXJAGTQM-GOSISDBHSA-N 363.461 2.802 30 50 FFEA C=CCN(Cc1ccncc1)C(=O)c1ccc(CSc2ncn[nH]2)o1 65458434 VCODQYJHOSYROH-UHFFFAOYSA-N 355.423 2.913 30 50 FFEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 281493507 QGRNJRFZOQOVNM-LFGUQSLTSA-N 356.466 2.694 30 50 FFEA CCOc1cc(/C=N/N2CCN(c3ccccc3OC)CC2)ccc1O 946052 LCVPUZSSIUHCTP-RCCKNPSSSA-N 355.438 2.956 30 50 FFEA CC/N=C(/O)c1cn(-c2ccccc2)nc1[C@H]1CCCN(CC(=N)O)C1 328605824 PJRAOOYGWBRLFV-AWEZNQCLSA-N 355.442 2.911 30 50 FFEA CN(C)Cc1ccsc1C(=O)N=c1cc(-c2cccc(C#N)c2)[nH][nH]1 2325856622 XADOYHXIRMASDN-UHFFFAOYSA-N 351.435 2.746 30 50 FFEA O=C1C=C[C@H](Nc2cccc([N+](=O)[O-])c2)[C@H]1Nc1cccc([N+](=O)[O-])c1 1588915 JWGRDMALPJVFAG-DOTOQJQBSA-N 354.322 2.903 30 50 FFEA O/C(=N/Cc1cscn1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 328630839 QGXLGXWFDSFJCA-OAHLLOKOSA-N 373.482 2.706 30 50 FFEA N#CC1(c2ccccc2)CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1 72148440 YEEUHFKCASPITC-UHFFFAOYSA-N 357.417 2.965 30 50 FFEA Cc1nc(C(C)C)sc1C(=O)N1CCN(c2ccc(C#N)cc2)C(=O)C1 82120801 OWUKCWIXKBLPOU-UHFFFAOYSA-N 368.462 2.936 30 50 FFEA C#CCCC1(CCC(=O)NCC2CCN(Cc3ccncc3)CC2)N=N1 2325886384 UUWOCBKCPGWSIG-UHFFFAOYSA-N 353.470 2.766 30 50 FFEA O=C1N(c2cccc(C/N=C(/O)N3CCCCO3)c2)C(O)=NC12CCCC2 329740059 NWQFSTSSHNSNQR-UHFFFAOYSA-N 372.425 2.701 30 50 FFEA CC(C)(O)C#Cc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)o1 952976063 PZDHBZVSLVFGKW-SFHVURJKSA-N 366.461 2.796 30 50 FFEA C#CCCC1(CCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)N=N1 2325891960 OXFASEJOJNRICN-OAHLLOKOSA-N 368.437 2.890 30 50 FFEA C=C(C)CN1C(=O)[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 1065722 UICKALHPHHQEJU-FQEVSTJZSA-N 366.373 2.978 30 50 FFEA Cc1ccc(N2CCC[C@]3(CCCN3C(=O)c3cc(C#N)c[nH]3)C2=O)cc1 2356143751 VQLJDIKXZPEXQC-NRFANRHFSA-N 362.433 2.997 30 50 FFEA Cc1cc(C)cc(N/C(S)=N\CCc2ccc(S(N)(=O)=O)cc2)c1 8689988 ZGRHKOPROCQRMV-UHFFFAOYSA-N 363.508 2.891 30 50 FFEA CCn1ccnc(N2CCC(/N=C(/O)c3ccnc(C4CC4)c3)CC2)c1=O 330147576 LXKHSDQQUGBKIP-UHFFFAOYSA-N 367.453 2.509 30 50 FFEA Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCCc2occc21 124483637 RCVGFRGQYNMRHP-KRWDZBQOSA-N 363.421 2.937 30 50 FFEA COc1nccc(N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)c1C#N 91535128 XSFNVAQJEKVLBB-FQEVSTJZSA-N 354.454 2.581 30 50 FFEA Cc1ccc(S(=O)(=O)OC2CN(C(=O)OCc3ccccc3)C2)cc1 19795771 HRFVAHLDZVELFQ-UHFFFAOYSA-N 361.419 2.721 30 50 FFEA N#Cc1nnc2ccccc2c1N[C@H]1C[C@H](Cn2cc(Cl)cn2)C[C@@H]1O 1857531466 YSTSDEATGKXEJN-KCTSRDHCSA-N 368.828 2.603 30 50 FFEA COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 5013445 YGUQXXQGAKKZTO-SFHVURJKSA-N 367.401 2.920 30 50 FFEA CN(C)[C@@H](C(=O)N1CCN(c2ccccc2C#N)CC1)c1ccc(F)cc1 95354456 CMZQMAPIQGCPLT-HXUWFJFHSA-N 366.440 2.649 30 50 FFEA C=C(CC)CN(CC(=O)NC)C(=O)c1cccc(-n2ccnc2SC)c1 1857532561 HZPOGHCOWOFJGP-UHFFFAOYSA-N 372.494 2.749 30 50 FFEA C=CCN(C(=O)[C@@H]1CC(C)(C)Oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 412218280 RKDIIOLWLMBYQK-GDBMZVCRSA-N 363.479 2.533 30 50 FFEA C=CCN1C(=O)[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 1164128 BJUGBEHIZKJTEU-LJQANCHMSA-N 352.346 2.588 30 50 FFEA CCn1nc(C)c(-c2cc(-c3ccc(C(N)=O)cc3)c(C#N)c(N)n2)c1C 71747720 PWMADPGSNQZLHP-UHFFFAOYSA-N 360.421 2.802 30 50 FFEA Cc1nc(CC(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C#N)cc2)c(C)s1 1565505978 XMPGCXDNSBLVLF-ROUUACIJSA-N 371.462 2.527 30 50 FFEA COc1cc(/C=N/N2CCN(c3ccccc3)CC2)cc(OC)c1OC 946016 VPGSKONKYLSBGZ-RCCKNPSSSA-N 355.438 2.869 30 50 FFEA Cc1cccc(C)c1NC(=O)/C(=N\NC(N)=S)[C@H](C#N)c1ccccc1 5711300 LXMQZLHHRDXMNE-JRCVOMKHSA-N 365.462 2.739 30 50 FFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1 19790818 ZLYSIRJICAQGDE-SFHVURJKSA-N 370.449 2.875 30 50 FFEA C#CCCC1(CCC(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)N=N1 2325892633 UWDQFGDLOSSNPX-UHFFFAOYSA-N 367.453 2.649 30 50 FFEA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(c2cccc(F)c2C#N)CC1 328655565 YLXYTFMIAOTWQB-QGZVFWFLSA-N 367.428 2.895 30 50 FFEA Cc1ccc(C(=O)N2CCC(NCc3cc(C#CCO)cs3)CC2)cc1 952989132 SVNIOYJGAHGHFF-UHFFFAOYSA-N 368.502 2.795 30 50 FFEA COc1cc(C#N)ccc1OC[C@H]1CCCN(Cc2cccnc2N)C1 1857725765 LWHLGQLBKDFTMW-INIZCTEOSA-N 352.438 2.835 30 50 FFEA Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CNc3ccccc3)c2c1C#N 2708652 GEPUSWPXRWLRIL-KRWDZBQOSA-N 372.428 2.907 30 50 FFEA Cn1ccnc1[C@H](/N=C(/O)N1CCC(C(F)F)CC1)C1CCOCC1 329341308 OVKYYXZLOCSJNV-CQSZACIVSA-N 356.417 2.779 30 50 FFEA C=CCN1CC[C@H](CNC(=O)Nc2cccc(-c3nnc(CC)[nH]3)c2)C1 299781524 ULXYRXZBOBXAKJ-CQSZACIVSA-N 354.458 2.664 30 50 FFEA N#Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2cnn(CC3CC3)c2)ccc1F 886088922 QFJPTTDICDISDB-ZWKOTPCHSA-N 354.385 2.564 30 50 FFEA C=CCOc1ccc(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)cc1Cl 1616083277 FPLQTYBGTDWGBA-YJBOKZPZSA-N 359.857 2.730 30 50 FFEA CCOC(=O)/C(=N/Nc1ccccc1Br)c1csc(N)n1 4421545 MUBBWRUHSRRBLA-WOJGMQOQSA-N 369.244 2.867 30 50 FFEA C=C(C)C[C@H](C)C(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 2325797171 WQDMXPRGFISCKP-INIZCTEOSA-N 358.486 2.622 30 50 FFEA Oc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1O 4662625 NTXCGRMMYZSAGT-DEDYPNTBSA-N 368.441 2.534 30 50 FFEA C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(Br)cc1 4919270 CWNDCZVIGGDMHY-ZDUSSCGKSA-N 367.268 2.971 30 50 FFEA CCSc1ncc(CN2CCN(c3nc(C)cc(C)c3C#N)CC2)cn1 65371475 MIJBCHSIASDJEX-UHFFFAOYSA-N 368.510 2.794 30 50 FFEA C=CCN1CCN(C(=O)c2cccc(-c3ccc(CCO)cc3)c2)CC1 426531504 AGQCXUUWFFXAHB-UHFFFAOYSA-N 350.462 2.832 30 50 FFEA C=CCOc1ccc(/C=C2\C(=O)N(CCOC)C(C)=C2C(=O)OCC)cc1 13400064 PFGQPLMTJCGRPM-JXAWBTAJSA-N 371.433 2.961 30 50 FFEA C=CCN(c1ccc(C(=O)NCc2cccc(C)c2)cc1)S(C)(=O)=O 13613615 JRPANGGYFJUQJW-UHFFFAOYSA-N 358.463 2.877 30 50 FFEA COc1cc(/C=N/NC(=S)NC2CCCCC2)cc(OC)c1OC 3577495 RFRPISQAXYCLEL-WOJGMQOQSA-N 351.472 2.843 30 50 FFEA C#CCCC1(CCC(=O)N[C@H](c2ccccc2OC)c2nccn2C)N=N1 2325891932 KBKJMUMYYHPJOW-GOSISDBHSA-N 365.437 2.990 30 50 FFEA C[C@@H]1CN(/C(O)=N/C2CCN([C@@H]3CCCC[C@@H]3O)CC2)CCC1(F)F 329629728 VEQLFQGHVPBDAH-BMFZPTHFSA-N 359.461 2.645 30 50 FFEA N#Cc1ccc(N2CCC(NCc3nncn3C3CCCCC3)CC2)nc1 95529875 YGUWHHBMIXUABJ-UHFFFAOYSA-N 365.485 2.809 30 50 FFEA CC(C)[C@@](C)(C#N)NC(=O)CN[C@H]1Cc2ccccc2O[C@@H]1C(F)(F)F 1857532595 ARTLDICUTPBCGJ-RRQGHBQHSA-N 369.387 2.565 30 50 FFEA CC(C)(C)C(=O)NC[C@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@]23CC[C@H]1O3 1857739043 ARGZBZIWYDQROF-JZJXAQOMSA-N 367.493 2.700 30 50 FFEA CS(=O)(=O)OCC1(CNC(=O)OCc2ccccc2)CCCCC1 1857796732 BLGSRXBIMOCIDC-UHFFFAOYSA-N 355.456 2.840 30 50 FFEA C[C@H](Oc1cccc(Cl)c1)C(=O)O/N=C(\N)c1ccc([N+](=O)[O-])cc1 4986362 RICBOGMYMKEWHU-JTQLQIEISA-N 363.757 2.879 30 50 FFEA CCOC(=O)c1ccc(F)c(C)c1NS(=O)(=O)c1cccc(C#N)c1 161255588 JMDDHNLXOUHDNK-UHFFFAOYSA-N 362.382 2.983 30 50 FFEA C#CCCC1(CCC(=O)NC[C@@H](c2cccc(C)c2)N2CCOCC2)N=N1 952881091 KHNAXDOEITVHAA-IBGZPJMESA-N 368.481 2.840 30 50 FFEA Cc1nc2c([nH]1)[C@@H](C(=O)N1CCO[C@@H](c3ccc(C#N)cc3)C1)CCC2 2325806373 MALOMRCFSMSFPN-FUHWJXTLSA-N 350.422 2.610 30 50 FFEA C=CCn1c(=O)c(C(=O)NCCCCC)c(O)c2cc(OC)c(OC)cc21 170624602 HPAVVGGVOVPDAL-UHFFFAOYSA-N 374.437 2.830 30 50 FFEA C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)Cn1cnc(C#N)n1 332135814 IBIAPWHWNSBNNO-SECBINFHSA-N 350.209 2.602 30 50 FFEA N#Cc1cc2c(nc1N1CCN(C3CCCC3)[C@H](CCO)C1)CCCC2 72481213 NFGOUZJULGFVJU-LJQANCHMSA-N 354.498 2.648 30 50 FFEA COC(=O)c1c(I)cc(Br)cc1C#N 263623717 JZEZZCIGXBHIQJ-UHFFFAOYSA-N 365.952 2.712 30 50 FFEA C#CCCC1(CCNC(=O)[C@H]2CCc3nnn(C4CCCC4)c3C2)N=N1 1875380802 AJCGPDVUTMEEBC-AWEZNQCLSA-N 354.458 2.580 30 50 FFEA Cc1nc(N2CCC3(CCN(C(=O)[C@@H]4CC45CC5)CC3)C2)ccc1C#N 1875407449 ACHOHFQJIHFHFT-KRWDZBQOSA-N 350.466 2.881 30 50 FFEA CN1N=C(C(F)(F)F)/C(=N/OC(=O)c2ccc(Cl)cc2Cl)C1=O 12338574 KGBKVVNHUVFUHA-UWVJOHFNSA-N 368.098 2.897 30 50 FFEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(F)cc1 19885087 QUKTWGPXEZZHNN-QGZVFWFLSA-N 372.396 2.949 30 50 FFEA COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2cccnc2)cc1OC 707648 YNQKNSBQNSTBBE-KRWDZBQOSA-N 354.362 2.588 30 50 FFEA C=CCN1CC[C@]2(CCC1=O)CN(Cc1ccc(F)cc1C)CCN2C 107670541 WYNXWSSIADOVFV-OAQYLSRUSA-N 359.489 2.819 30 50 FFEA N#C[C@H]1CCCN(Cc2cccc(OCCCCN3CCOCC3)c2)C1 215114909 NOOJAJKJPOASHD-HXUWFJFHSA-N 357.498 2.913 30 50 FFEA N#Cc1ccc(N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)nc1 72151539 RXGZGDJBHASLAA-FQEVSTJZSA-N 365.456 2.883 30 50 FFEA C=CC[C@@]1(CO)CCCN(CC(=O)NCCc2ccc(Cl)cc2)C1 91288581 YUKRNPIGKLSNFR-LJQANCHMSA-N 350.890 2.649 30 50 FFEA Cc1c(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)cc(C#N)n1C 1529197596 SUXGGVHQWJDRKW-XMSQKQJNSA-N 360.461 2.789 30 50 FFEA O=C(CO/N=C1\CCCc2nonc21)Nc1ccc(Br)cc1 1074063 INUTWYZPTHNLRK-GZTJUZNOSA-N 365.187 2.528 30 50 FFEA C=C(Cl)CCC(=O)N(C)CCN(C)C(=O)Cc1cc(C2CC2)on1 2325868356 XIPHJEZCJINXIF-UHFFFAOYSA-N 353.850 2.544 30 50 FFEA N#Cc1ccc(CN2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cc1 2356151375 GEHZAFCEFCKPJU-KCZVDYSFSA-N 367.493 2.819 30 50 FFEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2nc(C(C)(C)C)ns2)C1 328610788 JCMRGNJRILNPTP-OAHLLOKOSA-N 350.448 2.609 30 50 FFEA C=C(C)COc1ccc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1OC 217742483 UKJGNYCXHFFUFL-AWEZNQCLSA-N 373.405 2.625 30 50 FFEA biogenic C=CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C 2890613 OFQNAYHOEPHGTG-UHFFFAOYSA-N 374.462 2.785 30 50 FFEA Cc1nn(C)c(C)c1N=C(O)[C@H](C)Oc1ccc2c(c1)CCCNC2=O 329136872 RFHZYBQXNSKVRD-ZDUSSCGKSA-N 356.426 2.768 30 50 FFEA N#Cc1ccc(N2CCC(C(=O)Nc3cn(CC4CC4)nn3)CC2)c(F)c1 1875307480 NHNILTTYWYASMI-UHFFFAOYSA-N 368.416 2.554 30 50 FFEA CC(C)(C)c1ccc(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)cc1 2832599 LSYBTCSUNVHPJB-UHFFFAOYSA-N 359.403 2.901 30 50 FFEA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)c1ccc(C#N)cn1 328631192 QPEPSVWDBKOEPL-GFCCVEGCSA-N 363.343 2.503 30 50 FFEA C=CC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1438352595 YYVVGXLKMKXTQS-UHFFFAOYSA-N 360.417 2.645 30 50 FFEA Cc1ccsc1[C@H]1CCN(C(=O)c2ccc(C#CC(C)(C)O)o2)C[C@@H]1O 209857796 HPJJDTATKXDMDM-HOTGVXAUSA-N 373.474 2.763 30 50 FFEA COc1cc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(C)=O)ccc1O 13497054 VEQFIOLYKLLRDI-SFHVURJKSA-N 354.431 2.920 30 50 FFEA C[C@@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)Cc1ccc(F)cc1C#N 331826998 NFXPXTLUQQLFEY-AUUYWEPGSA-N 374.437 2.989 30 50 FFEA CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OCC)c1 632631 XCDATYWEFJOKFG-INIZCTEOSA-N 373.405 2.645 30 50 FFEA C=CCn1c(CN2CCC(Cc3nncn3C)CC2)nc2ccccc21 55108216 FXEUAPNWSBLXNL-UHFFFAOYSA-N 350.470 2.806 30 50 FFEA CNC(=O)c1ccc([C@@H]2CCCCN2CC(O)=Nc2c(C)n[nH]c2C)n1C 328651118 VWAORVFAGZAHFA-HNNXBMFYSA-N 372.473 2.540 30 50 FFEA C[C@@]1(C2CC2)CC(=O)N(CC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 20654245 XQTMUWKZHLOFKM-OAQYLSRUSA-N 365.477 2.719 30 50 FFEA CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(O)c1 2055306 RAVIQGODACIPJQ-LJQANCHMSA-N 371.433 2.940 30 50 FFEA CCn1cc([C@H]2OCCC[C@@H]2NC(=O)Nc2snc(C)c2C#N)cn1 459571554 RTCHXALVCFEGCL-UONOGXRCSA-N 360.443 2.581 30 50 FFEA N#Cc1ccc([C@@H](O)CN2CCCN(C(=O)CC3CCCC3)CC2)cc1 378144510 RATKDAYHRGRMOU-FQEVSTJZSA-N 355.482 2.706 30 50 FFEA CCCc1nc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)cs1 220548136 QBJHEUZIYDSCKN-NVXWUHKLSA-N 371.462 2.934 30 50 FFEA C=CCS(=O)(=O)N1CCC[C@](Cc2ccccc2C)(C(=O)OCC)C1 14969887 KQIHGGRKLKDAPI-LJQANCHMSA-N 365.495 2.699 30 50 FFEA COc1ccc(/C=N\N2CCN(c3ccccc3OC)CC2)cc1OC 15685262 SKXKUZMIOIVPJG-QNGOZBTKSA-N 355.438 2.869 30 50 FFEA C=CCn1c(S[C@@H]2CCOC2=O)nc2sc3c(c2c1=O)CCCC3 727912 CKJFQLCEMGIKTO-GFCCVEGCSA-N 362.476 2.930 30 50 FFEA Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(c3nccnc3C#N)CC2)c1 67885956 FCWXYIJPOASTIP-UHFFFAOYSA-N 373.464 2.677 30 50 FFEA Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C#N)n1C 4948020 MUFUCDAQXWROIP-UHFFFAOYSA-N 353.407 2.986 30 50 FFEA C=CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@@H](C#N)CCC23CCOCC3)c1 1875367829 QLCORILICYYFLR-CRAIPNDOSA-N 353.422 2.640 30 50 FFEA Cc1cc(=N/C(O)=N/C[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)cc[nH]1 328652614 WMULMLYHZSBZDU-BBRMVZONSA-N 363.462 2.515 30 50 FFEA COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)cc1 2922918 CWPZVQUQAIIGEK-LJQANCHMSA-N 371.433 2.853 30 50 FFEA CC[C@@H](Oc1ccccc1)C(=O)O/N=C(\N)Cc1ccc([N+](=O)[O-])cc1 4985696 DAFLPVSEMJZGNO-MRXNPFEDSA-N 357.366 2.810 30 50 FFEA Cc1cncc(N=C(O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1 328618915 FESZJIDGZQLUBT-MAUKXSAKSA-N 356.474 2.684 30 50 FFEA C[C@H](/N=C(/O)[C@@H]1COCCN1C)[C@@H](OC1CCOCC1)c1ccccc1 329002650 XUZSMEHFIHYAHL-ZYSHUDEJSA-N 362.470 2.599 30 50 FFEA C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCC(N)=O 17074292 SIKZCYASEONKFH-UHFFFAOYSA-N 360.483 2.918 30 50 FFEA N#Cc1cccc(-c2cccc(C(=O)NCCCN3CCC[C@H](O)C3)c2)c1 426443084 WWISNVVIGDZCFS-NRFANRHFSA-N 363.461 2.802 30 50 FFEA Cc1ccc([C@@H](C(=O)N2CCN(c3ccc(C#N)cc3)CC2)N(C)C)cc1 95367011 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COc1cc(CN[C@@H]2CC[C@@H](C(F)(F)F)N(C(C)=O)C2)ccc1C#N 886060584 NNOYUFHDSWAGKQ-ZBFHGGJFSA-N 355.360 2.598 30 50 FFEA COc1ccc2oc(CNC(=O)c3cccc(C#CC(C)(C)O)c3)nc2c1 1506415572 PINMIECPUNRWEZ-UHFFFAOYSA-N 364.401 2.889 30 50 FFEA C=CCC(C)(C)CN1CCC2(CC1)CN(C(=O)CSC)C[C@H]2C(=O)O 1857702893 HSNFBCIJCXPDMT-HNNXBMFYSA-N 368.543 2.577 30 50 FFEA C=CCN(Cc1ccccn1)C(=O)CCCn1cnc2ccccc2c1=O 65408137 RQULNHNOLKAYAO-UHFFFAOYSA-N 362.433 2.787 30 50 FFEA CCCN1CCC(/N=C(/O)N2CCO[C@@H](c3nc(C)cs3)C2)CC1 328755209 SVRHNJDWJJZNJB-OAHLLOKOSA-N 352.504 2.613 30 50 FFEA CCOC(=O)C1=CC(C)(C)CC(Br)(Br)C1=O 45071191 NUTKHPNEWIQQRX-UHFFFAOYSA-N 354.038 2.961 30 50 FFEA C=CCN1CC2(CCC1=O)CCN(C(=O)Nc1ccc3c(c1)OCO3)CC2 91487108 FVVZIVRTQXIGPS-UHFFFAOYSA-N 371.437 2.838 30 50 FFEA O=C1CCC(c2ccccc2)=C1CC(=O)N1CCN(C2CCOCC2)CC1 952969718 MXKVSFKHMSJNRJ-UHFFFAOYSA-N 368.477 2.516 30 50 FFEA CO[C@H]1CCN([C@H]2CCC[C@H]2NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 888076838 LDXBGJJLHXXCFW-OTWHNJEPSA-N 353.466 2.613 30 50 FFEA COc1ccc([C@H]2C[C@@H]2c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)cc1 1857799401 ZVZFTFYXVDYFKS-CVEARBPZSA-N 366.421 2.528 30 50 FFEA C=CCNC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccccc1 4905458 KLVUAAVZXAOLDH-UHFFFAOYSA-N 374.462 2.583 30 50 FFEA C=CCn1cc(CN2CCC3(CC2)Nc2ccccc2NC3=O)c(C)n1 55036622 KPKUXEQKQKKFLM-UHFFFAOYSA-N 351.454 2.776 30 50 FFEA C=CCN1CCN(C(=O)[C@@H](CC)Oc2ccc(Br)cc2)CC1 20572951 ZFYTXLVTLPAUMO-MRXNPFEDSA-N 367.287 2.937 30 50 FFEA CC(C)(C)CC(=O)N1CSC[C@H]1/C(O)=N/Cc1noc(C2CC2)n1 328956522 NSABZUUEIUCMOI-NSHDSACASA-N 352.460 2.741 30 50 FFEA C#CCCC1(CCC(=O)NC2CCN(C(=O)c3ccccc3F)CC2)N=N1 952882083 RMRQZFYKKXEPHJ-UHFFFAOYSA-N 370.428 2.902 30 50 FFEA C=CCN1C[C@@H](C(=O)Nc2ccc(N3CCCC3)c3ncccc23)CC1=O 952961067 GCCWOZZCXLKGHT-HNNXBMFYSA-N 364.449 2.808 30 50 FFEA C#C[C@H](COC)NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 170596940 JHWDRTOJGRACCV-CYBMUJFWSA-N 370.409 2.513 30 50 FFEA O=C(C1CCOCC1)N1CCOc2c(N=C(O)C3CCOCC3)cccc21 328913296 PLTWHSVKBAGWQJ-UHFFFAOYSA-N 374.437 2.853 30 50 FFEA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@]1(C#N)CCc2ccccc2C1 289209418 WKIGIXPLDVEILM-DBXWQHBBSA-N 364.449 2.548 30 50 FFEA CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCC#N)c(OC)c2)NC(=O)N1 5064690 IGOGAHOMMVPDPW-KRWDZBQOSA-N 373.409 2.569 30 50 FFEA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(c2ccc(C#N)cn2)CC1 95519822 XRTBREZPKDBKKN-LJQANCHMSA-N 369.513 2.550 30 50 FFEA C=CCN1CC[C@@]2(CCC1=O)CN(C(=O)Nc1ccc(F)cc1)CCN2C 91320520 DGMGNGNFYQOKTM-FQEVSTJZSA-N 374.460 2.542 30 50 FFEA CC(C)c1nccn1CCCNS(=O)(=O)c1ccc(C#N)cc1Cl 670447723 PNPCJKLGPPANEJ-UHFFFAOYSA-N 366.874 2.900 30 50 FFEA N/C(=N\OC(=O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 18161679 RDTSHXFZGDCQFM-UHFFFAOYSA-N 364.155 2.835 30 50 FFEA CC1(C)OB(c2ccc(Cn3cnc4c(Cl)ncnc43)cc2)OC1(C)C 169995754 LIJVCAHLBABCLQ-UHFFFAOYSA-N 370.649 2.827 30 50 FFEA C=CCNc1ccccc1C(=O)N1CCN(CCc2ccncc2)CC1 55309001 RLABRLQESJBNJF-UHFFFAOYSA-N 350.466 2.680 30 50 FFEA C=CCN(Cc1ccccn1)C(=O)C1=C(C)NC(=O)N[C@@H]1c1cccs1 67654618 AGEAMAVNIYBLIS-QGZVFWFLSA-N 368.462 2.986 30 50 FFEA N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCO[C@@H](C2CCC2)C1 333364710 LREBSSINHQIJQU-CQSZACIVSA-N 374.384 2.767 30 50 FFEA CCCC(=O)N1CCc2nc(N)c(C#N)c(-c3cc(C(C)(C)C)[nH]n3)c2C1 72129112 QKJHBCRVFWDUTD-UHFFFAOYSA-N 366.469 2.908 30 50 FFEA COc1ccc(S(=O)(=O)N/N=C(/c2ccccc2)c2ccccn2)cc1 20249577 BQXAIXXLTDBPAH-VZCXRCSSSA-N 367.430 2.821 30 50 FFEA CN(C)[C@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 95384490 RLHJBPAXEZQAJU-FQEVSTJZSA-N 366.440 2.649 30 50 FFEA N#Cc1ccc(C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)cn1 95507231 ASWCMUNXQQJBDV-UHFFFAOYSA-N 372.432 2.613 30 50 FFEA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)CC1 1875370019 XUFDWPSUJMPRKF-IBGZPJMESA-N 365.477 2.764 30 50 FFEA COC(=O)[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1c(C)cccc1C 170598309 CQXFUWWJXXNHFW-GOSISDBHSA-N 372.446 2.509 30 50 FFEA CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)[C@H](C#N)c1cnc2ccccc2n1 792107507 HGPSBGXSRICUMI-AUUYWEPGSA-N 373.416 2.656 30 50 FFEA CC1(C)OB(c2cccc(S(=O)(=O)N3CCCCCC3)c2)OC1(C)C 208395931 AHOFPYHASKNTSQ-UHFFFAOYSA-N 365.304 2.551 30 50 FFEA Cc1ccccc1[C@@H](C)CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 160781260 CLZDNFOGKRRRRP-IRXDYDNUSA-N 363.465 2.888 30 50 FFEA C[C@@]1(C(=O)O)CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 263482738 LKUXEPARTHHGMM-GOSISDBHSA-N 370.434 2.934 30 50 FFEA CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2c1ccc(Cl)cc1 4201637 AZEKVQYZYVLLHG-ZDUSSCGKSA-N 371.824 2.917 30 50 FFEA COC(=O)c1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)cs1 71714702 SQQKUUCEJNSKIX-GXFFZTMASA-N 354.435 2.742 30 50 FFEA C/C(=N\O)[C@@]1(C)N(O)C(C)(C)C(c2ccc(Br)cc2)=[N+]1[O-] 13147358 ZRJYUWUPXPVMMA-BRYYZUPOSA-N 356.220 2.798 30 50 FFEA N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)COc1ccccc1Cl 13154054 GZEMWDXGBKEILP-UHFFFAOYSA-N 363.757 2.685 30 50 FFEA C=CCN1CCc2c(c(C(=O)OCC)nn2CCc2ccc(OC)cc2)C1 14741369 YJZFDYYPFROKKW-UHFFFAOYSA-N 369.465 2.855 30 50 FFEA N#CCN(CC(=O)Nc1ccc(F)c(C(N)=O)c1)c1cccc(Cl)c1 1857530892 OMPFUUZYANOJDN-UHFFFAOYSA-N 360.776 2.547 30 50 FFEA N#Cc1ccccc1-c1ccc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)o1 1857720810 LHAYFLNGRYMFAQ-OXQOHEQNSA-N 360.417 2.644 30 50 FFEA C=C(Cl)CCC(=O)NC[C@H](C)CNC(=O)c1c(C)noc1C1CC1 2325866953 GHGHBEHGHIGJMN-JTQLQIEISA-N 353.850 2.875 30 50 FFEA Cc1c(/C(O)=N/[C@H](C)c2nnc3ccccn23)cnn1C1CCOCC1 329013176 FGCZGZRGIOHFFD-GFCCVEGCSA-N 354.414 2.652 30 50 FFEA N#Cc1c(N)nc2c(c1-c1ccc(CN3CCCCC3)s1)CNCC2 72152872 HVOKUJISISTFST-UHFFFAOYSA-N 353.495 2.896 30 50 FFEA COC(=O)C[C@@H]1CC2(CC2)CN1C(=O)c1[nH]nc(-c2ccccc2)c1C#N 1875317704 ACLSLBBDRSHCKQ-CQSZACIVSA-N 364.405 2.506 30 50 FFEA CN(C)c1ccnc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 277502198 DUTBPGLRGIPMPJ-UHFFFAOYSA-N 369.856 2.635 30 50 FFEA CCOC(=O)c1cc(N2CCN(c3ncccc3C#N)CC2)ncc1Cl 170601979 PTOTZSHQWMLDPY-UHFFFAOYSA-N 371.828 2.505 30 50 FFEA N#CC(CCN1CCC([C@@H](O)CO)CC1)(c1ccccc1)c1ccccc1 1772705672 YUQQESCNSJWQBQ-QFIPXVFZSA-N 364.489 2.952 30 50 FFEA OCC#Cc1csc(CN[C@@H]2CCCN(C3Cc4ccccc4C3)C2)c1 19792715 QPMAXEJNRAJVKM-HXUWFJFHSA-N 366.530 2.813 30 50 FFEA C=CCc1cc([C@@H]2CC(=O)NCc3nc(N(C)C)sc32)cc(OC)c1O 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