smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/CCn1ccnc1 328623426 JDNXYMIONOZRPF-TZMCWYRMSA-N 303.366 1.834 30 50 DDEA CN(CC(=O)N1CCO[C@H]2CCC[C@H]21)c1ccc(C#N)cn1 230261209 CGAWOWHJOZFGOV-KGLIPLIRSA-N 300.362 1.169 30 50 DDEA C=CCN(CC(=O)O)S(=O)(=O)c1ccc(C)c2ncccc12 317892171 WBTXDVKLQVYZBB-UHFFFAOYSA-N 320.370 1.805 30 50 DDEA CC/N=C(/NCCOCC)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1 240668581 HNPDQDLVFNCTOP-HRCADAONSA-N 308.470 1.405 30 50 DDEA CCN1C[C@@H](C(=O)N[C@]2(C#N)CCc3ccccc3C2)CC1=O 183946846 MEEVJGPFXGPSCB-MAUKXSAKSA-N 311.385 1.422 30 50 DDEA CC1(C)C[C@H](O)CCN(S(=O)(=O)c2ccccc2C#N)C1 295294436 JQYRXONOLMNQCL-CYBMUJFWSA-N 308.403 1.730 30 50 DDEA CC(C)C(=O)N1CCn2nc(CNc3ccc(C#N)cn3)cc2C1 299790735 BQGWTSPWAWCNRX-UHFFFAOYSA-N 324.388 1.760 30 50 DDEA N#Cc1cc2n(n1)CCCN(C(=O)Cn1cc3ccccc3n1)C2 584897107 JWIKVRBIMHUAOF-UHFFFAOYSA-N 320.356 1.537 30 50 DDEA CCN1CCN(C2CN(c3ccc([N+](=O)[O-])cc3C#N)C2)CC1 952993349 MVKYJJRCRTUYIO-UHFFFAOYSA-N 315.377 1.293 30 50 DDEA N#Cc1cnc(N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)c(F)c1 1875398406 OXFOOVWEKGEJRL-LERXQTSPSA-N 301.325 1.540 30 50 DDEA N#Cc1ccc(N2CCN(C(=O)c3cn[nH]c3)CC2)c(Cl)c1 278235817 VVNCONKYOZBNKQ-UHFFFAOYSA-N 315.764 1.897 30 50 DDEA N#Cc1ccc(NCC(=O)N[C@@H]2CCCN(CCF)C2)cc1 585125801 FZDHSKHMNYJMCD-OAHLLOKOSA-N 304.369 1.520 30 50 DDEA CC#CC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 15064449 DCRHAMDVYFJQJB-LBPRGKRZSA-N 324.302 1.946 30 50 DDEA C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccc(Cl)cc1 301089233 MMQPQDLOZDFUAU-VIFPVBQESA-N 318.764 1.782 30 50 DDEA C#CCCC1(CCNC(=O)CCc2cnc3n2CCOC3)N=N1 2325899969 GRTZIJXYAHBOAT-UHFFFAOYSA-N 315.377 1.428 30 50 DDEA N#CC1(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)CC1 67603503 IMPYGDGCFQACFJ-QWHCGFSZSA-N 314.341 1.396 30 50 DDEA C#C[C@@H]1COCCN1C(=O)c1cc(Cl)c2c(c1)OCCCO2 491453205 PZSNEFIKZVYVTL-GFCCVEGCSA-N 321.760 1.976 30 50 DDEA C[C@H]1CCCc2nc(S(=O)(=O)Nc3c(C#N)cnn3C)cn21 333184230 QKCOTLCSXBRHPT-VIFPVBQESA-N 320.378 1.186 30 50 DDEA CC(C)(C#N)c1ccccc1CN1CC[C@@](O)(c2c[nH]nn2)C1 284577032 IJHCYPBNQUSRHZ-KRWDZBQOSA-N 311.389 1.699 30 50 DDEA Cc1nsc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c1C#N 284611364 QVBKLGLJLMSMIL-NEPJUHHUSA-N 305.407 1.704 30 50 DDEA C=CC[C@]1(C(=O)O)CCCN(Cc2cncn2CCOC)C1 91391367 USZTUZISKVWBEC-INIZCTEOSA-N 307.394 1.772 30 50 DDEA N#Cc1cc(CN2CCC[C@](O)(c3cnn[nH]3)C2)ccc1F 583618047 XLNBELSMSWOTOM-OAHLLOKOSA-N 301.325 1.299 30 50 DDEA C[C@H]1C(=O)N2CCC[C@@H]2CN1C(=O)c1cc(F)cc(C#N)c1 1772708508 BYIMZOUWDXASIQ-IINYFYTJSA-N 301.321 1.533 30 50 DDEA C=C[C@H](CO)NC(=O)c1cc(Br)cc(OC)c1 826588220 RMSVRROYDBZQIB-SNVBAGLBSA-N 300.152 1.734 30 50 DDEA CC(C)C#CC(=O)N1CC(C)(c2nnc(-c3ccccn3)o2)C1 952892898 JLCUPGINPIFWCV-UHFFFAOYSA-N 310.357 1.891 30 50 DDEA O=C(N[C@@H]1CCCN(C(=O)[C@@H]2CO2)C1)OCc1ccccc1 1875373136 URWZRFPXGNDHQP-KGLIPLIRSA-N 304.346 1.303 30 50 DDEA CCO[C@@H](C)C(=O)NS(=O)(=O)c1ccc(Cl)c(C#N)c1 1875324316 RYBWJJOBVUSGIY-QMMMGPOBSA-N 316.766 1.442 30 50 DDEA CC#CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1CO 1875376754 HKHLJBMYFZIXEF-OLZOCXBDSA-N 310.394 1.134 30 50 DDEA C#CCCC1(CCNC(=O)c2nn3c(c2C)OCCC3)N=N1 2325886591 BKXDZAXNKQVADP-UHFFFAOYSA-N 301.350 1.669 30 50 DDEA N#Cc1c(F)cccc1N1CCCN(C(=O)[C@@H]2CCCO2)CC1 360192073 FNMDCRUUBVDAJY-INIZCTEOSA-N 317.364 1.915 30 50 DDEA Cc1nnc([C@@H](C)NC(=O)c2ccc(C#CC(C)(C)O)o2)o1 223938986 CEGGUSUVHDSNID-SECBINFHSA-N 303.318 1.584 30 50 DDEA C#CCCN1CCN(C(=O)[C@H](O)c2ccccc2Cl)CC1 162520838 HPKUHVGSLKLBKC-OAHLLOKOSA-N 306.793 1.541 30 50 DDEA CN([C@@H]1CCCNCC1)S(=O)(=O)c1cc(F)cc(C#N)c1 866777642 MIWZFBYSFYODER-CYBMUJFWSA-N 311.382 1.460 30 50 DDEA N#C[C@@H]1CNC[C@H]1NC(=O)c1c(C(F)F)nc2ccccn12 876802607 RCAPPCJVRMPKDH-RKDXNWHRSA-N 305.288 1.113 30 50 DDEA N#Cc1cnn2c(=O)nc(SCc3ccc4c[nH]nc4c3)[nH]c12 1875332437 RRYGTQOSWVGTMG-UHFFFAOYSA-N 323.341 1.458 30 50 DDEA C=CCS(=O)(=O)N1CCO[C@H](Cc2cccc(OC)c2)C1 12439899 FYKVCSGOPAQNPD-OAHLLOKOSA-N 311.403 1.454 30 50 DDEA COc1cccc(C(=O)O/N=C(\N)c2cccnc2)c1OC 4270868 HEJINFZVUOGYMH-UHFFFAOYSA-N 301.302 1.576 30 50 DDEA CC1(C)OB(c2ccc(F)cc2CS(C)(=O)=O)OC1(C)C 170017317 HQKOKMUCGHURPH-UHFFFAOYSA-N 314.187 1.670 30 50 DDEA C[C@H]1CN(C(=O)CC#N)[C@]12CCN(c1ncnc3[nH]ccc13)C2 117625213 LOWWYYZBZNSPDT-ZBEGNZNMSA-N 310.361 1.299 30 50 DDEA in-vitro N#Cc1ncn(CCNC(=O)N2C[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)n1 333531690 QGHFFVQFUFTDLN-IGQOVBAYSA-N 312.377 1.003 30 50 DDEA C=CCNc1ccc(C(=O)N2CCN(CCC(=O)O)CC2)cc1 426493089 VPPOFJRYCRFNIT-UHFFFAOYSA-N 317.389 1.517 30 50 DDEA N#CC1(c2ccccc2)CCN(C(=O)N[C@@H]2CCNC2=O)CC1 534645370 IOPGWRJFGZQXTN-CQSZACIVSA-N 312.373 1.142 30 50 DDEA CC[C@H](CC#N)NC(=O)c1nnc2ccc(Br)cn12 1155687879 BIQSASFXGHTYNF-SECBINFHSA-N 322.166 1.914 30 50 DDEA Cc1cc(C)nc(NS(=O)(=O)c2cccc(CC#N)c2)n1 225531303 ZBVKMOVWVODVQI-UHFFFAOYSA-N 302.359 1.960 30 50 DDEA N#CCCCS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccccc2)C1 760610506 IQQVUSOOPDJWIU-CQSZACIVSA-N 321.402 1.124 30 50 DDEA CN(C)C1(C)CCN(C(=O)CNc2ccc(C#N)cc2)CC1 585129087 XJSQDWYGJZOGOS-UHFFFAOYSA-N 300.406 1.913 30 50 DDEA C#CCCNC(=O)NCc1snc(OC)c1Br 1615057765 IVYKQUXRBKJTKR-UHFFFAOYSA-N 318.196 1.737 30 50 DDEA Cn1ccc(N2CC[C@H](NC(=O)c3ccc(F)c(C#N)c3)C2)n1 366951476 LETWGHAVNKMLKE-ZDUSSCGKSA-N 313.336 1.440 30 50 DDEA Cc1n[nH]cc1CNC(=O)N1CCC(C#N)(c2ccccn2)CC1 367099211 KEAHWALBOJGAFG-UHFFFAOYSA-N 324.388 1.880 30 50 DDEA Cc1nc([C@H]2OCC[C@H]2CNc2ncc(C#N)cc2F)n[nH]1 685940102 QLMIBNAHRIFSAA-JQWIXIFHSA-N 302.313 1.709 30 50 DDEA C[C@@H]1CN(c2c(C#N)cccc2C#N)C[C@H]1C(=O)N1CCOCC1 408474015 YTONXLOSQJHKOT-CZUORRHYSA-N 324.384 1.361 30 50 DDEA CC[C@H]1CC[C@H](C(=O)NS(=O)(=O)CC2(C#N)CCC2)O1 771081073 UERRGOBLZUGUJN-WDEREUQCSA-N 300.380 1.084 30 50 DDEA CN1CC[C@H](n2ccnc2-c2ccc(C#CCCO)cc2)C1=O 1857676340 RBYQVBBPRZOOOJ-INIZCTEOSA-N 309.369 1.687 30 50 DDEA Cc1cc(C/N=C(/O)N2CCC(CC(=O)N(C)C)CC2)on1 330782236 YVFJOMCOKYNVAD-UHFFFAOYSA-N 308.382 1.587 30 50 DDEA CC1(C)OB(c2cccc(S(=O)(=O)CF)c2)OC1(C)C 1857785092 LPMHGGQVLTWQRZ-UHFFFAOYSA-N 300.160 1.687 30 50 DDEA N#Cc1ccc(CNC(=O)NO[C@H](CO)C2CCCC2)c(F)c1 1875279083 WJMOCKWVQYZIKH-OAHLLOKOSA-N 321.352 1.979 30 50 DDEA CN1CCC[C@@H](CNc2cnc(C#N)cn2)[C@@H]1c1cncn1C 886054734 TWWXVZYRJOUPGT-BLLLJJGKSA-N 311.393 1.577 30 50 DDEA Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1CN 227926353 WKDBHAPRKPEZFG-KGLIPLIRSA-N 307.419 1.663 30 50 DDEA CC1(C)OB(c2cc(C(N)=O)cc([N+](=O)[O-])c2F)OC1(C)C 170003585 SQLRSYHDIQIHHP-UHFFFAOYSA-N 310.090 1.132 30 50 DDEA Cn1nccc1[C@@H]1OCC[C@H]1C(O)=Nc1ccc2nncn2c1 328627353 MRRLOQWUFIAESC-BXUZGUMPSA-N 312.333 1.829 30 50 DDEA Cc1cc(NC(=O)[C@H]2CCCO[C@@H]2C(C)C)nn1CCC#N 408474391 UWAOYNQOSNHXTD-DZGCQCFKSA-N 304.394 2.495 30 50 DDEA Cc1c([C@H]2OCC[C@@H]2/N=C(/O)COc2cccnc2)cnn1C 328613365 RRTNIWYETXOEER-GOEBONIOSA-N 316.361 1.989 30 50 DDEA Cc1c([C@H]2OCC[C@@H]2/C(O)=N/CCn2cccn2)cnn1C 328611428 LMWYMAXRONREON-JSGCOSHPSA-N 303.366 1.659 30 50 DDEA N#Cc1cnc(N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cn1 128150145 QNRIZDVRVLHDCF-SMDDNHRTSA-N 302.284 1.939 30 50 DDEA CCN1CCN(CCCOc2ccc(C#N)cc2)C(=O)C1=O 40456387 JZNMJWHCTSULQA-UHFFFAOYSA-N 301.346 1.018 30 50 DDEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)CCCN2CCCC2=O)C1 91493421 NGJYDBSQRLSKCJ-QGZVFWFLSA-N 322.405 1.659 30 50 DDEA CC#CC(=O)N1CC(O)(c2cscc2Br)C1 1875387122 PSKZCFCMAGAFOT-UHFFFAOYSA-N 300.177 1.564 30 50 DDEA Cc1nc(N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)c(Cl)cc1C#N 886088625 KZGGIDNJZDQFAS-YNEHKIRRSA-N 303.753 1.898 30 50 DDEA C=C(C)CS(=O)(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 189388983 FVXGRTYBZWWCSF-MRXNPFEDSA-N 319.430 1.775 30 50 DDEA C/N=C(/NCCOCC1CCCC1)N1CCCN(C(C)=O)CC1 1615590414 OQTUWUWTMBKAEK-UHFFFAOYSA-N 324.469 1.323 30 50 DDEA C/N=C(/NCC1(CCOC)CCC1)N1CCCN(C(C)=O)CC1 1615587983 BGITVIHNQNKGAU-UHFFFAOYSA-N 324.469 1.323 30 50 DDEA COS(=O)(=O)c1cccc2c(S(=O)(=O)OC)cccc12 1687867 HCXPJMZQMWIBMO-UHFFFAOYSA-N 316.356 1.510 30 50 DDEA in-vitro CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)O 170007307 UVXASFJQWFBMTH-UHFFFAOYSA-N 306.127 1.037 30 50 DDEA CNC(C)(C)C(=O)NC[C@@H]1CCN(Cc2ccccc2C#N)C1 67724390 DGCLBDLEAKMXLM-AWEZNQCLSA-N 314.433 1.494 30 50 DDEA C=CCN(C(=O)C(F)(F)C(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 241383515 MVXPJAJOWRMGBL-JTQLQIEISA-N 323.361 1.049 30 50 DDEA C=CCN1C(=O)/C(=C\c2cccc(OC)c2)C(=O)NC1=S 12362873 AQKYNPKRWBYRMV-XFXZXTDPSA-N 302.355 1.508 30 50 DDEA O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccc(F)cc1 1795822 YBZYOFPXWKUXEX-UHFFFAOYSA-N 321.285 1.742 30 50 DDEA CC(=O)N1CCN(c2nc3ccccc3c(C)c2C#N)C[C@@H](O)C1 1857676839 UBKSEXOTZIUDTR-AWEZNQCLSA-N 324.384 1.444 30 50 DDEA CCC[C@@]1(CO)CN(c2cc(C)c(C#N)c(C)n2)CC[C@@H]1O 1857734477 SYTWNFOBPAJERD-RDJZCZTQSA-N 303.406 1.920 30 50 DDEA CC(C)C(=O)NCCCNC(=O)NCC1CCC(C#N)CC1 225653766 CDINYKYURGEFSY-UHFFFAOYSA-N 308.426 1.778 30 50 DDEA CCc1noc(C)c1N=C(O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 328587780 HXOYIAOMQFYZNN-BMIGLBTASA-N 309.366 1.971 30 50 DDEA N#CC1(CS(=O)(=O)N2CCC[C@H]2[C@@H](O)c2ccccc2)CC1 867620452 NEBWIMWYWJYUGV-GJZGRUSLSA-N 320.414 1.818 30 50 DDEA C/N=C1\S[C@@H](C(=O)Nc2cccc(C(=O)O)c2)CC(=O)N1C 100272071 VKSLNIKNVAIGTN-ZEIZSXSISA-N 321.358 1.273 30 50 DDEA N#Cc1ccc(NC[C@@H]2C[C@H](F)CN2Cc2cncnc2)nc1 328657047 ZYDXFIJTTWOWQU-GJZGRUSLSA-N 312.352 1.768 30 50 DDEA Cc1nn(C)c(C)c1N=C(O)N1CC(=O)N(CC(F)(F)F)C1 330183190 PQACQBBWMUYNOV-UHFFFAOYSA-N 319.287 1.246 30 50 DDEA O=C1CC2(CCN(Cc3ccc(C#CCCO)cc3)CC2)CN1 77538664 ZMIBAONTCATKDL-UHFFFAOYSA-N 312.413 1.523 30 50 DDEA C=CC[C@@]1(CO)CCCN(C(=O)CN(C)Cc2cccnc2)C1 91818021 DJHBOMATZHYMCV-GOSISDBHSA-N 317.433 1.691 30 50 DDEA N#C[C@@]1(C(=O)NCc2nc(C(N)=O)cs2)CC12CCCC2 598246076 MFQJUFAFIKLCAI-CQSZACIVSA-N 304.375 1.332 30 50 DDEA N#CCNC(=O)CSc1ncnc2sc3c(c12)CCC3 169982273 IWODOBUFEVHXSV-UHFFFAOYSA-N 304.400 1.912 30 50 DDEA N#Cc1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cn1 1704354980 JWVJRMBBKKIBQY-GDBMZVCRSA-N 308.341 1.336 30 50 DDEA CC#CC(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 14948691 LLLSAZSKTLPHTK-CQSZACIVSA-N 304.777 1.623 30 50 DDEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2ccc(C#N)[nH]2)C1 888103406 YNOJSSALLBQDKD-OCCSQVGLSA-N 313.361 1.829 30 50 DDEA CC(C)(C)NS(=O)(=O)C1(CNc2nccc(C#N)n2)CCC1 2325861398 OQGIJOJMUCSSFX-UHFFFAOYSA-N 323.422 1.401 30 50 DDEA CC(=O)CC(=O)OC(C)(C)C#CC(C)(C)OC(=O)CC(C)=O 1557539 APQPDGQNDHXZBQ-UHFFFAOYSA-N 310.346 1.592 30 50 DDEA N#Cc1ccc(CNC[C@@H]2C[C@H](F)CN2c2cccnn2)o1 328622551 BIATZTALODXQTP-RYUDHWBXSA-N 301.325 1.648 30 50 DDEA CC(=O)N[C@H]1CCN(CCCC(=O)Nc2ccc(C#N)cc2)C1 252481177 CIEAPTSZCXJMJO-INIZCTEOSA-N 314.389 1.487 30 50 DDEA CC1(C)OC[C@@H]([C@@]23O[C@@]2([C@H]2COC(C)(C)O2)OC3(C)C)O1 254735668 QBDQRFQCNGWZQS-WVGQAWGZSA-N 300.351 1.564 30 50 DDEA N#Cc1ncccc1-c1cccc(C(=O)NC[C@H]2COCCO2)c1 299769984 PVRRMLBKSSNTDA-HNNXBMFYSA-N 323.352 1.765 30 50 DDEA N#Cc1cccc(CN[C@H]2CCCN(c3nccnc3O)C2)c1 275627635 SBHRHCNPGYDDQC-HNNXBMFYSA-N 309.373 1.812 30 50 DDEA C#CC(C)(C)OC[C@H](O)CN1CCN(c2ccccc2)CC1 12381141 QNTYIUFOXPUMMM-QGZVFWFLSA-N 302.418 1.598 30 50 DDEA N/C(=N\OC(=O)COc1ccccc1Cl)c1ccncc1 5042459 IFZDNXDBIFDJCS-UHFFFAOYSA-N 305.721 1.978 30 50 DDEA N#CC[C@@]1(O)CCN(C(=O)NCc2cccc3c2CCOC3)C1 602399638 JANGTSHFDPHUIL-QGZVFWFLSA-N 315.373 1.319 30 50 DDEA C[C@@H]1CN(Cc2ccc(C#N)cc2)CCN1C(=O)CN(C)C 252522820 BDUZRALCVLZNSS-CQSZACIVSA-N 300.406 1.153 30 50 DDEA C=C(C)CN(Cc1ccccc1)C(=O)CN1CCNC(=O)C1 585129178 AHNUFQFEEGEGCR-UHFFFAOYSA-N 301.390 1.023 30 50 DDEA N#Cc1c(F)ccc(NS(=O)(=O)N2C[C@H]3CC[C@H]2C3)c1N 888096784 QNINEJPETIWPEY-IUCAKERBSA-N 310.354 1.421 30 50 DDEA C=C(C)C(=O)OCCOP(=O)(O)OCCOC(=O)C(=C)C 2582052 NXBXJOWBDCQIHF-UHFFFAOYSA-N 322.250 1.359 30 50 DDEA COCc1cc(N=C(O)N2CCC[C@H]2c2noc(C)n2)ncn1 329146432 OKOCLZXBSYYFHJ-NSHDSACASA-N 318.337 1.697 30 50 DDEA C=CCN(CC=C)C(=O)CN1CC[C@@H](n2nc(C)cc2C)C1 65491470 NLFIUVRFHWHWBP-MRXNPFEDSA-N 302.422 1.947 30 50 DDEA CCn1cnnc1[C@@H]1CN(C(O)=Nc2cc(C)ccn2)CCO1 328617913 DERIVEFLHVDOPU-LBPRGKRZSA-N 316.365 1.620 30 50 DDEA COc1cccc(C=NOC(=O)Cn2cc([N+](=O)[O-])cn2)c1 239235245 VQOCBDCESQZAFL-UHFFFAOYSA-N 304.262 1.377 30 50 DDEA CCCN/C(N)=C(\C(=O)OCC)C(=O)c1ccc(OC)cc1 12731538 DECMAXNXAMCXGE-SQFISAMPSA-N 306.362 1.611 30 50 DDEA CN1CCN(/C(O)=N/Cc2ccsc2)C[C@@H]1c1ncc[nH]1 328618049 DIBOSVRPISCTMU-GFCCVEGCSA-N 305.407 1.874 30 50 DDEA N#Cc1ccc(O[C@H]2CCN(C(=O)C3CCC(=O)CC3)C2)nc1 329328636 VAFKEQGOGVOCOQ-HNNXBMFYSA-N 313.357 1.692 30 50 DDEA C#CCCNC(=O)c1conc1C1CCN(C(=O)C=C)CC1 1875389509 QWVIMNTXXBQCMK-UHFFFAOYSA-N 301.346 1.320 30 50 DDEA O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)[C@@H]1CO1 1875372284 BPFMPWDOIWIRFP-HNNXBMFYSA-N 302.374 1.125 30 50 DDEA N#Cc1ccc(CN2CCC[C@@H]2c2nc(C(N)=O)no2)s1 328623286 BVUYSWLOOPXMTH-SNVBAGLBSA-N 303.347 1.439 30 50 DDEA Cn1cc([C@H]2OCC[C@@H]2C(O)=Nc2ccc3nncn3c2)cn1 328644391 ZGQYPGUJVBBASV-GXTWGEPZSA-N 312.333 1.829 30 50 DDEA C#CCn1cc(CNS(=O)(=O)c2ccccc2CC)cn1 585115040 JUXIVQAGSJOJQK-UHFFFAOYSA-N 303.387 1.557 30 50 DDEA CS(=O)(=O)N1CCCc2ccc(/N=C3\C=C(O)NC3)cc21 1848443899 QIEPVQJEIDYSKZ-FOWTUZBSSA-N 307.375 1.474 30 50 DDEA COc1ccc(/N=C(\N)Nc2nc(C)cc(O)n2)c(OC)c1 17029405 NRTUFZHJEGDPRK-UHFFFAOYSA-N 303.322 1.566 30 50 DDEA O=C(O)[C@@H](Cc1ncc[nH]1)/N=C/c1cccc([N+](=O)[O-])c1O 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310.357 1.717 30 50 DDEA CN(Cc1cc(O)nc(N)n1)[C@@H]1CCN(c2ccc(C#N)cc2)C1 434228536 PQWYHOPVZTWSAT-OAHLLOKOSA-N 324.388 1.347 30 50 DDEA N#Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@@H](C(=O)O)C2)cc1F 589974756 CUZMHOPIWIOVTI-SCZZXKLOSA-N 310.306 1.005 30 50 DDEA CC#CC(=O)N(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 1875363230 JPICOHMSHUUUNZ-CYBMUJFWSA-N 302.374 1.764 30 50 DDEA C[C@H]1C[C@H](N2CCOCC2)CN1c1cc(C#N)cc(Cl)n1 888096087 SICVYOYKOCNPEZ-AAEUAGOBSA-N 306.797 1.906 30 50 DDEA Cc1cc(=NC[C@@H]2CCO[C@H]2c2ccnn2C)c(C#N)c(C)[nH]1 328616576 BTVGCAPPMRHAHE-SUMWQHHRSA-N 311.389 1.915 30 50 DDEA CN1CCO[C@@H](/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 328624479 JYPWRJKSSPSVFE-XHSDSOJGSA-N 318.421 1.362 30 50 DDEA Cc1[nH]nc(NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)c1C#N 377193564 AAJUFLMBCSWYDT-ZWNOBZJWSA-N 310.361 1.696 30 50 DDEA CCC#CCN1CCC[C@H](c2nnc(Cn3cccn3)n2C)C1 95372443 BYRSTNUVFQCBGZ-HNNXBMFYSA-N 312.421 1.653 30 50 DDEA CC(=O)NCc1cc2n(n1)CCN(Cc1cc(C#N)c(C)[nH]1)C2 426571658 RMLFYGHJHWMJKI-UHFFFAOYSA-N 312.377 1.043 30 50 DDEA CCCC(=O)N1CCN(Cc2ccccc2C#N)C[C@H](O)C1 97553272 DDADEOVEGXZNNI-INIZCTEOSA-N 301.390 1.363 30 50 DDEA C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C(=O)O 237503376 GLQNFWSWVGQQAO-RISCZKNCSA-N 302.330 1.791 30 50 DDEA CCC#CCN1CCC(CNC(=O)c2cc(C)n(C)n2)CC1 952980720 IBUVTHARAMVYNM-UHFFFAOYSA-N 302.422 1.584 30 50 DDEA COc1nc(OC)c(OC)c(C#N)c1I 78494383 ZIMDGTVLUGSWRJ-UHFFFAOYSA-N 320.086 1.584 30 50 DDEA in-vitro Cc1c(C#N)c(NC(=O)CCS(C)(=O)=O)n2ccccc12 585124450 DKFSIUSNKHKMMC-UHFFFAOYSA-N 305.359 1.493 30 50 DDEA C=CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC(C)C 13451758 QOCLIZZHAAXPSZ-UHFFFAOYSA-N 305.382 1.078 30 50 DDEA biogenic COCC(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 404917835 QXXDIZVTTGNUNI-UHFFFAOYSA-N 309.146 1.710 30 50 DDEA O=C1COCCN1C/C(O)=N/[C@@H]1COc2ccc(Cl)cc21 329861125 QAXUZRTWMCWQFB-LLVKDONJSA-N 310.737 1.589 30 50 DDEA C#CCCC1(CCNC(=O)c2cn(-c3ccn(C)n3)cn2)N=N1 2325887396 NNWXWAYJIWFFDM-UHFFFAOYSA-N 311.349 1.301 30 50 DDEA CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC 170004437 GADKPWDUQOZZSM-UHFFFAOYSA-N 305.183 1.744 30 50 DDEA Cc1cncc(=O)n1C/C(O)=N/Cc1ccc2c(c1)OCO2 328591140 QKCMZECQOKSGTL-UHFFFAOYSA-N 301.302 1.437 30 50 DDEA CC(=O)Nc1cc(C(=O)O)c(B2OC(C)(C)C(C)(C)O2)cn1 170003968 LBPBUWHPLVZQSZ-UHFFFAOYSA-N 306.127 1.037 30 50 DDEA COC(=O)C1=C(C(C)=O)[C@@H](c2cccc(F)c2)N2NN=NC2=N1 118300 GDTNKJIWJLJKOC-GFCCVEGCSA-N 317.280 1.440 30 50 DDEA N#Cc1ncccc1S(=O)(=O)N1CCC[C@H](OCC2CC2)C1 372992503 KIVPAVLXHJVJJQ-ZDUSSCGKSA-N 321.402 1.533 30 50 DDEA N#Cc1c(F)cccc1N1CCC([C@H](O)C(=O)NC2CC2)CC1 299753916 ZTYLHTJEMGZHSD-INIZCTEOSA-N 317.364 1.553 30 50 DDEA CCOC(=O)c1nc(CN=c2ccc(C#N)c[nH]2)sc1C 1875288199 RHXSPCUBYQXZNN-UHFFFAOYSA-N 302.359 1.929 30 50 DDEA CC(C)C[C@H](NC(=O)c1ccc(C#CC(C)(C)O)cc1)C(N)=O 952964508 AJWVOXORMDYADS-HNNXBMFYSA-N 316.401 1.439 30 50 DDEA C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1cn(CC)c(=O)nc1O 1341905275 XVZOEQMEJHSTBE-BETUJISGSA-N 318.377 1.361 30 50 DDEA CCO[C@@H]1C[C@@](O)(CNC(=O)c2ccc(C#N)cc2)C1(C)C 191789779 OSEXKZRNUZHQLU-RHSMWYFYSA-N 302.374 1.854 30 50 DDEA Cc1nc(SCCNCc2ccc(C#CCO)s2)n[nH]1 1506398981 JEYMFVCPZDVOCS-UHFFFAOYSA-N 308.432 1.400 30 50 DDEA C=CCN(Cc1cccc(OC)c1)C(=O)[C@@H]1C[C@H](N)CN1C 67935214 OZLFMZLKQBGMPX-HOCLYGCPSA-N 303.406 1.241 30 50 DDEA C=CCNS(=O)(=O)c1ccc(OC)c(Br)c1 2935635 IRAPNZXHRZLHDU-UHFFFAOYSA-N 306.181 1.922 30 50 DDEA C=CCNc1ccccc1C(=O)NCCNC(=O)c1cccnc1 55255201 SDEWQBLDGWANOC-UHFFFAOYSA-N 324.384 1.839 30 50 DDEA CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(OC)c1 170004279 HQEDXNVCMKPEPD-UHFFFAOYSA-N 305.183 1.744 30 50 DDEA C#CCN1CCC(OC)(c2nc(C3CCOCC3)no2)CC1 491732629 APKFGORRQZRNAD-UHFFFAOYSA-N 305.378 1.534 30 50 DDEA Cc1c(C(=O)N2CCCC[C@@H]2CCN(C)C)cnc(O)c1C#N 72425052 ISLQMIRUEZUWAR-CYBMUJFWSA-N 316.405 1.914 30 50 DDEA CCCCCCCCCCCC(=O)NC(CO)(CO)CO 95810841 MMADMMLGVQSDTK-UHFFFAOYSA-N 303.443 1.739 30 50 DDEA O=C(N[C@H]1CCCN(C(=O)[C@H]2CO2)C1)OCc1ccccc1 1875373137 URWZRFPXGNDHQP-UONOGXRCSA-N 304.346 1.303 30 50 DDEA CC(C)C#CC(=O)N[C@@H]1CCCC[C@@H]1Cc1nnc(O)n1C 888094548 AYWWYFNCITYRMH-CHWSQXEVSA-N 304.394 1.398 30 50 DDEA Cn1ccc2c(C(=O)NS(=O)(=O)CCCC#N)cccc21 776119305 JXIROBVQMFBYBB-UHFFFAOYSA-N 305.359 1.542 30 50 DDEA CCCN1CCC[C@@]2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1=O 2356148577 GTYDAFATYUYSNH-QGZVFWFLSA-N 314.389 1.894 30 50 DDEA C=CCN(C)C[C@]1(O)CCCN(Cc2cccc(C)c2)C1=O 67966398 VJYNHUVHJJBVDR-GOSISDBHSA-N 302.418 1.966 30 50 DDEA N#Cc1cccc(OCCN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 284632314 BQXGLOOHIYRRFY-KZNAEPCWSA-N 316.401 1.799 30 50 DDEA N#Cc1ccc(N2CCN(C(=O)CCOCC(F)F)CC2)cn1 240454745 FYKLYELQXGVILU-UHFFFAOYSA-N 324.331 1.274 30 50 DDEA C=CC[C@H](C(=O)N1CC[C@H](Cc2nn[nH]n2)C1)c1ccccc1 1775987771 FMIWJUVKDIYKGQ-HIFRSBDPSA-N 311.389 1.951 30 50 DDEA CC#CC(=O)NCc1ccccc1CS(=O)(=O)NC(C)C 277751651 RPLDREXBLLVBRI-UHFFFAOYSA-N 308.403 1.154 30 50 DDEA C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1cc(Cl)ccc1C#N 278573904 NYHOQBLQXNMENE-MRVPVSSYSA-N 315.782 1.430 30 50 DDEA CC1(C)OB(c2cnn(CC(=O)N3CCCCC3)c2)OC1(C)C 199532842 MMKFAZFVNXUHSI-UHFFFAOYSA-N 319.214 1.195 30 50 DDEA in-vitro C=CCCn1cc(C(=O)N2C[C@@H](C)O[C@@]3(CCCOC3)C2)nn1 582118135 ZRBWHBGLDRNJCL-CJNGLKHVSA-N 320.393 1.264 30 50 DDEA C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(F)c(C#N)c1N 585128770 NCIKGGCUJFTGHT-VHSXEESVSA-N 307.325 1.802 30 50 DDEA C=CCOc1ccccc1C(=O)NC[C@@H]1CC(=O)N[C@@H](C)C1 585131364 SUFZSPHQROYDHM-STQMWFEESA-N 302.374 1.896 30 50 DDEA CCOC(=O)/C(=N/Nc1ccc([N+](=O)[O-])cc1OC)C(C)=O 13302131 YRZRNIGCNDNXEE-NTCAYCPXSA-N 309.278 1.523 30 50 DDEA c1ccc2sc(N=C3NCN(C[C@@H]4CCCO4)CN3)nc2c1 19324937 KGWMFFXIVJGWDT-NSHDSACASA-N 317.418 1.873 30 50 DDEA C=CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)C(=O)NC1=S 19805964 VXMGPKBTOCZHBY-WQLSENKSSA-N 311.366 1.981 30 50 DDEA N#Cc1ccc(N2CC[C@@H](n3cc(CCCO)nn3)C2=O)cc1 603189418 BIAUMCYZVHEPGQ-OAHLLOKOSA-N 311.345 1.053 30 50 DDEA N#Cc1ccc(CN2CC(=O)NCC23COC3)c2ccccc12 2325771801 RBBDDVFTUUELGQ-UHFFFAOYSA-N 307.353 1.412 30 50 DDEA CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2)CC1 6746832 ZTMJULAZHFALMR-UHFFFAOYSA-N 321.402 1.558 30 50 DDEA N#Cc1ccsc1N1CC[C@H](N2CC[C@@H](CCO)C2)C1=O 229862404 UUTNWZKTRJBJPS-AAEUAGOBSA-N 305.403 1.429 30 50 DDEA C=CCN(CC(=O)O)S(=O)(=O)c1ccc2oc(=O)ccc2c1 316744876 YENLLBLYLKVDSE-UHFFFAOYSA-N 323.326 1.054 30 50 DDEA Cn1cncc1/C(O)=N/C1CCN(C(=O)c2ccncc2)CC1 329652778 DMGNLLABKWFFBY-UHFFFAOYSA-N 313.361 1.425 30 50 DDEA N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCCNCC1 366947887 ZFZAFHFASAJKME-SNVBAGLBSA-N 313.810 1.632 30 50 DDEA C=CCn1nc(C)c(CN2CCn3nc([C@H](C)O)cc3C2)c1C 219955169 PISMNMMCMTXFHC-AWEZNQCLSA-N 315.421 1.952 30 50 DDEA C=CCOc1ccccc1CNC(=O)N[C@H]1CC[C@@H](C(N)=O)C1 454484714 MAYJHAYXSYOFIU-OCCSQVGLSA-N 317.389 1.705 30 50 DDEA CCc1nc(CN2CCN(c3nc(C)ccc3C#N)CC2)no1 269133281 JBIBHUBXQMJECC-UHFFFAOYSA-N 312.377 1.529 30 50 DDEA C#CCCC1(CCC(=O)N2CC[C@@H](OC)C[C@@H]2C(=O)O)N=N1 1615000498 BAQFLVWATWJNSQ-VXGBXAGGSA-N 307.350 1.433 30 50 DDEA N#Cc1ccc(OC2CN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)cc1 372529761 DLXXMWLKVVPMBY-ZDUSSCGKSA-N 322.368 1.676 30 50 DDEA CC1=C/C(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)C=CC1=O 15357182 YHSBTFXLHBIZKL-UVTDQMKNSA-N 306.299 1.810 30 50 DDEA COc1ccc2c(c1OC)CCN(Cc1c(C#N)cnn1C)C2 2325801509 LPGVEDPNGDCYSD-UHFFFAOYSA-N 312.373 1.867 30 50 DDEA COCCOc1ncccc1N=C(O)N1C[C@H](O)C(C)(C)C1 331334482 UBNJUXRYFGAERM-LBPRGKRZSA-N 309.366 1.355 30 50 DDEA Cc1ncc(CO)c(/C=N/N=C/c2ccc(O)c(O)c2)c1O 3001776 QBBHOFUQORJABA-OTUYTANFSA-N 301.302 1.452 30 50 DDEA Cc1nccn1CC(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N 333798088 ZHSOCFRJXLOTBQ-HOCLYGCPSA-N 302.378 1.645 30 50 DDEA N#Cc1ccc(N[C@@H]2CCN(c3ccccc3C(N)=O)C2)nc1 377637397 QWFFHASCMDMUSH-CYBMUJFWSA-N 307.357 1.743 30 50 DDEA CN1CC2(CCN(C(=O)c3ccccc3C#N)CC2)OCC1=O 584891560 AKNJFSQPKYZMRO-UHFFFAOYSA-N 313.357 1.022 30 50 DDEA C#CCCC1(CCC(=O)N2CCC(N(C)CC(=O)O)CC2)N=N1 952881135 YKAVKZASCQMFKG-UHFFFAOYSA-N 320.393 1.350 30 50 DDEA CC(=O)N1CCO[C@@H]2CCN(c3nccc(C)c3C#N)C[C@@H]21 886051604 NRZISDLWRGSQHU-LSDHHAIUSA-N 300.362 1.088 30 50 DDEA C=C[C@H](COC)NC(=O)N1Cc2ncccc2N2CCC[C@H]2C1 1334271382 OMPXFIPDJNUJQU-KGLIPLIRSA-N 316.405 1.777 30 50 DDEA C=CCC[C@@H](O)CN1CCN(c2cc(C3(C)CC3)n[nH]2)CC1 170599797 FBRXBRQIEXTLEB-CQSZACIVSA-N 304.438 1.910 30 50 DDEA CCCCn1nnc2c1C(=O)c1ccccc1/C2=N/OC(C)=O 1848444134 OGMYZHXKJMCDCM-AQTBWJFISA-N 312.329 1.938 30 50 DDEA CN1C(=O)/C(=N\NS(=O)(=O)c2ccccc2)c2ccccc21 41825 SVGCKLWGTIXFOK-PEZBUJJGSA-N 315.354 1.346 30 50 DDEA Cc1ccc(S(=O)(=O)C(C(=O)c2ccccc2)=C(N)N)cc1 1776111141 APXJKSBXYDGOSA-UHFFFAOYSA-N 316.382 1.738 30 50 DDEA C#CCCC1(CCC(=O)N2CCn3ccc(C(=O)O)c3C2)N=N1 2325900597 BIQPWRVCHCTMKP-UHFFFAOYSA-N 314.345 1.884 30 50 DDEA N#Cc1cccnc1N1CCC[C@H](Cn2cc(C(=O)O)nn2)C1 67743560 ZEPFASFHNVNGFT-NSHDSACASA-N 312.333 1.160 30 50 DDEA C=CCN[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O 20388975 PQRNECZNUOWQBI-CYBMUJFWSA-N 302.330 1.271 30 50 DDEA COc1nc2ccn(Cc3cccnc3N)c(=O)c2cc1C#N 71278720 QHZXSUUJXFMAOF-UHFFFAOYSA-N 307.313 1.302 30 50 DDEA N#CC1(NC(=O)CCn2c(S)nc3ccccc3c2=O)CC1 160825615 YVLKZDZPAVZZBN-UHFFFAOYSA-N 314.370 1.248 30 50 DDEA COCC[C@]1(O)CCN(C(=O)c2ccc(C#N)nc2)C[C@H]1C 91663222 DLRDYJIJJMUMOS-MLGOLLRUSA-N 303.362 1.203 30 50 DDEA N#Cc1cccc(N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)n1 95510367 USZOSMDPZAWIRR-CRAIPNDOSA-N 307.353 1.928 30 50 DDEA Cn1ccc(NC(=O)CN2CCN(c3ccccc3C#N)CC2)n1 252500578 SYICCOSZRFTZMT-UHFFFAOYSA-N 324.388 1.052 30 50 DDEA CC(=O)N1CCO[C@H]2CCN(c3ccc(F)cc3C#N)C[C@@H]21 886031141 VQPUZZBWGUVCMK-HOTGVXAUSA-N 303.337 1.523 30 50 DDEA Cn1cc(CNC[C@@H]2CCCO[C@H]2c2ccnn2C)cc1C#N 886085613 VSXLTQQBQOWNFG-WMLDXEAASA-N 313.405 1.888 30 50 DDEA Cc1noc(C[C@]2(O)CCCN(c3cccc(F)c3C#N)C2)n1 886027258 QAANQFPBUDTENR-MRXNPFEDSA-N 316.336 1.963 30 50 DDEA C#CCOc1cc(CNC(=O)C2CCNCC2)ccc1OC 195554198 RBUWOHHJEBUUGU-UHFFFAOYSA-N 302.374 1.323 30 50 DDEA CS(C)(=O)=NC(=O)[C@@H]1CCCN1Cc1cccc(C#N)c1 585094509 VUEZNDBBZVEBIR-AWEZNQCLSA-N 305.403 1.777 30 50 DDEA C=CCOc1ccccc1C(=O)NC[C@H]1CC(=O)N[C@H](C)C1 585131361 SUFZSPHQROYDHM-CHWSQXEVSA-N 302.374 1.896 30 50 DDEA Cc1ccc(F)c(N=C(O)CN(C)S(=O)(=O)N(C)C)c1 328592612 OXAYRYWMTSHJCQ-UHFFFAOYSA-N 303.359 1.460 30 50 DDEA COCc1cc(=O)nc(N/C(N)=N/c2ccc(C)cc2C)[nH]1 13536252 DIQXSQBRJVYNJI-UHFFFAOYSA-N 301.350 1.591 30 50 DDEA COc1ccc(CCN[C@]2(C#N)CN3CCC2CC3)cc1OC 19933559 XCICRKYWHHRREI-GOSISDBHSA-N 315.417 1.824 30 50 DDEA N#Cc1ccc(C(=O)N[C@@H](Cc2ccncc2)[C@H]2C[C@@H](O)C2)cn1 219106066 YNGMESUZXWJTIX-XIRDDKMYSA-N 322.368 1.460 30 50 DDEA COc1ccc(/C=N/N=C2/NC(=O)[C@H](CC(=O)O)S2)cc1 1233509 IXAFTOCVNVDRDI-UQDQQJHMSA-N 307.331 1.091 30 50 DDEA CC1(C)OB(c2ccc(N3CCSCC3)nc2)OC1(C)C 214107676 RTMQINQSSQUSQG-UHFFFAOYSA-N 306.240 1.934 30 50 DDEA in-vitro C=CCn1c(COc2ccccc2)nnc1SCC(N)=O 2744830 IWHFFKSLDLXBDD-UHFFFAOYSA-N 304.375 1.621 30 50 DDEA CCOC(=O)C(C(=O)OCC)[C@H](C)C#CCN1CCCCC1 2955851 YTWOTOVXWQUSFF-CQSZACIVSA-N 309.406 1.854 30 50 DDEA COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)/C=C/c1cccc(C#N)c1 111142306 IJULPKDLCCFAKM-KXLSMFKISA-N 314.341 1.360 30 50 DDEA COc1ccc(OC)c2c1CN(C(=O)C1(C#N)CCC1)C[C@@H]2O 126369240 GWPRBASXOLMVFG-LBPRGKRZSA-N 316.357 1.773 30 50 DDEA C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCC1(CC#N)CC1 376409896 AUQFZAOGQOTIMM-UONOGXRCSA-N 306.410 1.185 30 50 DDEA N#Cc1ccc(F)c(CN2CCC[C@](O)(Cn3ccnn3)C2)c1 284541988 KRQLHVNBMBOWOM-MRXNPFEDSA-N 315.352 1.316 30 50 DDEA C[C@@H](C1CCN(Cc2cc(C#N)ccn2)CC1)N1CCOCC1 299771428 WVOOHOGPHYREGG-HNNXBMFYSA-N 314.433 1.886 30 50 DDEA N#Cc1cc(F)cc(C(=O)NCCN2CCCC[C@@H]2CO)c1 670439986 PJUKSLHHRDBANZ-OAHLLOKOSA-N 305.353 1.274 30 50 DDEA N#Cc1ccc(F)c(NC(=O)N[C@@H]2CCc3ncnn3C2)c1 585119400 GKZXXXWGYYSLRH-SNVBAGLBSA-N 300.297 1.425 30 50 DDEA CC(C)S(=O)(=O)N(C)C(=O)[C@@H]1C[C@@H]1c1ccc(C#N)cc1 1875253513 GDQHEGWOEYUZBK-ZIAGYGMSSA-N 306.387 1.858 30 50 DDEA N#Cc1c(N)nc2c(c1-c1cccnc1)c(=O)nc1sccn12 19874265 FZSZWTXIYXFMEC-UHFFFAOYSA-N 320.337 1.820 30 50 DDEA C#CCCC1(CCNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)N=N1 2325891231 ZKABMZMVMOGPMR-ZDUSSCGKSA-N 316.405 1.859 30 50 DDEA Cc1cc(=O)[nH]c(N/N=C/c2cc(Br)ccc2O)n1 9140099 FUEYAMPVHZVECP-MKMNVTDBSA-N 323.150 1.992 30 50 DDEA C#C[C@H](NC(=O)Nc1ccc(C(=O)OC)c(F)c1)[C@@H]1CCOC1 225611584 QYCDGWWWKYZZSA-YGRLFVJLSA-N 320.320 1.772 30 50 DDEA COCCN(Cc1cnn(C)c1)Cc1ccc(C#CCO)s1 55310061 VVCCNTCHQQCJGG-UHFFFAOYSA-N 319.430 1.474 30 50 DDEA N#Cc1ccc(CNC[C@@H]2C[C@H](F)CN2Cc2cncnc2)o1 328653133 WTOLNFAKGJQLNH-KBPBESRZSA-N 315.352 1.643 30 50 DDEA N#Cc1cc(CN2CCC[C@H]2c2nc(C(N)=O)no2)ccc1F 328649846 VGAWSSZJBZGIJB-LBPRGKRZSA-N 315.308 1.516 30 50 DDEA Cc1noc([C@H]2C[C@H](O)CN2c2ncc(C#N)cc2Cl)n1 328611412 LJBVABVQEBTZRH-GXSJLCMTSA-N 305.725 1.610 30 50 DDEA N#Cc1c(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cn2ccccc12 367576398 QAGQJIUWSBSPBO-BLLLJJGKSA-N 315.398 1.430 30 50 DDEA N#Cc1ccccc1/C=C/C(=O)N1CCN([C@H]2CCOC2)CC1 370781376 YRIJKBQLDQTAOM-RTRPANQVSA-N 311.385 1.505 30 50 DDEA C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 241969566 UXNGVKGETUAPFM-RBSFLKMASA-N 304.394 1.498 30 50 DDEA C=C(C)C[C@@H](C)C(=O)N1CCN(CC(=O)NCCCC)CC1 584908652 DAXFPKMBYPFITG-OAHLLOKOSA-N 309.454 1.649 30 50 DDEA CNC(=O)[C@@]12CCOC[C@H]1CN(c1ncc(C#N)cc1Cl)C2 952852367 BTDYRKVGUUMWSJ-IAQYHMDHSA-N 320.780 1.196 30 50 DDEA COc1cc2c(cc1OC)[C@H](C1CC1)N(C(=O)[C@@H]1CO1)CC2 1875373193 VWFLXIHIBZFADN-HOTGVXAUSA-N 303.358 1.938 30 50 DDEA N#Cc1cc2c(nc1O)CCN(C(=O)c1coc3c1CNC3)C2 1875339287 ZHDZDOGMOZTYTO-UHFFFAOYSA-N 310.313 1.054 30 50 DDEA Cc1cc(F)ccc1[C@H](NCC(F)(F)F)C(=O)NCC#N 1775998764 ILBYOXVXGWINLK-NSHDSACASA-N 303.259 1.967 30 50 DDEA COCCCn1cnnc1CN=c1cc(C)c(C#N)c(C)[nH]1 2356152861 DSQMFMREANPTDN-UHFFFAOYSA-N 300.366 1.232 30 50 DDEA C#CCNC(=O)[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)N=C1C 128560379 FJEXNVWPTUVMRX-LBPRGKRZSA-N 323.274 1.794 30 50 DDEA Cc1cc(C#N)nc(N[C@@H](c2nccn2C)C2CCOCC2)n1 284654394 VPMJKMBUNPCJHX-CQSZACIVSA-N 312.377 1.970 30 50 DDEA Cc1noc([C@]2(O)CCN(CCOc3ccc(C#N)cc3)C2)n1 277347230 HQNZDKHEPYJZDC-INIZCTEOSA-N 314.345 1.222 30 50 DDEA N#Cc1ccc(N2CC[C@@](O)(Cn3ccnn3)C2)cc1Cl 585789105 VXSRWUNAWHPDKN-AWEZNQCLSA-N 303.753 1.445 30 50 DDEA Cc1ncc(CN(CCO)Cc2ccc(C#CCCO)cc2)[nH]1 1704305470 JSYJSXDUXGPHLG-UHFFFAOYSA-N 313.401 1.447 30 50 DDEA CCC#CCN1C[C@H]2c3cccc(OC)c3OC[C@@]2(C(=O)O)C1 248255538 SFKKGIUKERMUKU-KSSFIOAISA-N 315.369 1.971 30 50 DDEA C[C@H]1CC[C@H](N(CCO)C(=O)CNc2ccc(C#N)cc2)C1 585126757 HSSNBNRRRIUJAY-BBRMVZONSA-N 301.390 1.980 30 50 DDEA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2ccc(C#N)c(F)c2)C1 591630149 INWZLHNZEXVGBV-KRWDZBQOSA-N 319.380 1.503 30 50 DDEA N#Cc1cnn2c(=O)nc(SCC3([C@H]4CCCO4)CC3)[nH]c12 2325783607 LHBXLYDHBJDLJR-SNVBAGLBSA-N 317.374 1.341 30 50 DDEA COCCN(CCC#N)C(=O)C[C@@H]1CC[C@H](C(F)(F)F)O1 931897386 QOTWMAGVTBRQGR-WDEREUQCSA-N 308.300 1.875 30 50 DDEA Nn1cnnc1N/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl 4954515 BVAASXBABQMVSH-QLKAYGNNSA-N 316.108 1.653 30 50 DDEA CCn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)Nc1cc(C)n(C)n1 328615973 BGHMHHZPOJRJIB-AAEUAGOBSA-N 318.381 1.801 30 50 DDEA Cc1noc([C@H]2C[C@@H](O)CN2CC/C(O)=N/C2CCCC2)n1 328644366 ZEUGIAZUVPWBGE-CHWSQXEVSA-N 308.382 1.775 30 50 DDEA C=CCc1cc(/C=N/n2cnnc2)cc(OC)c1OCC(=O)O 452343 CNPABFMTYXNICL-CNHKJKLMSA-N 316.317 1.361 30 50 DDEA COCCCN1CC(=O)C(c2nc3ccccc3s2)=C1N 5010618 ONFGHVYXJJXFDV-UHFFFAOYSA-N 303.387 1.845 30 50 DDEA CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2ccc(C#N)cn2)cn1 328631440 QXVZRWCOCSFOGX-DZGCQCFKSA-N 311.345 1.430 30 50 DDEA Cc1cc(N/C(O)=N/[C@H]2CCO[C@@H]2c2cnn(C)c2C)no1 328615950 BFJVCHVOASSFPP-WCQYABFASA-N 305.338 1.881 30 50 DDEA C#CCCC1(CCC(=O)N2CCO[C@@H](c3cnn(C)c3)C2)N=N1 888096427 UXFXEROGIQIALG-CQSZACIVSA-N 315.377 1.676 30 50 DDEA C#CCCC1(CCC(=O)N2CC[C@@H](Nc3ncccn3)C2)N=N1 2325892625 UOUANQJOMGYQSD-CYBMUJFWSA-N 312.377 1.845 30 50 DDEA C=CCN(Cc1ccc(C)s1)C(=O)CCNS(C)(=O)=O 55382718 RYRCYVALYPVNSC-UHFFFAOYSA-N 316.448 1.510 30 50 DDEA CC(O)=Nc1ccn([C@H]2CCN(C(=O)[C@@]3(C)CCCO3)C2)n1 328611493 LUNUIGLACMHGJN-SWLSCSKDSA-N 306.366 1.834 30 50 DDEA N#Cc1ccc(OC[C@@H](O)CN2CCC23CCOCC3)cc1 253393863 DBVPIFOJUKWRKU-HNNXBMFYSA-N 302.374 1.553 30 50 DDEA Cc1noc([C@H]2CN(Cc3cc(C#N)ccc3F)CCN2C)n1 284843823 LFMIGNLFVODDFG-OAHLLOKOSA-N 315.352 1.878 30 50 DDEA C#CCOc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)[C@H]3N)ccc1OC 534656790 WNRMWQLUANSYOF-XOIINTDNSA-N 314.385 1.517 30 50 DDEA CCc1nnsc1/C(O)=N/[C@H]1CCO[C@@H]1c1cnn(C)c1C 328608654 AWHVEUBSHDXQBC-NWDGAFQWSA-N 321.406 1.977 30 50 DDEA CN(C)C(=O)C[C@]1(O)CCCN(c2ccc(C#N)cc2F)C1 591618043 NKHSZLDCEPUDQM-MRXNPFEDSA-N 305.353 1.507 30 50 DDEA C#C[C@](C)(CC)OC[C@H](O)CN1CCN(c2ccccc2)CC1 12421425 CLJJTCLXWKTXFW-RTBURBONSA-N 316.445 1.988 30 50 DDEA O=C1NCCC[C@@H]1N/C(O)=N/Cc1cccc(C(F)(F)F)c1 330442805 RXSSSAMKLOIPRO-NSHDSACASA-N 315.295 1.988 30 50 DDEA CC(=O)c1cccc(N2C(=S)N[C@@H]3C[S@@+](=O)(O)C[C@H]32)c1 334158368 JHTHQGUMPKFCCR-VXGBXAGGSA-P 311.408 1.307 30 50 DDEA Cn1c(Oc2cnc3ccccc3c2)c(C#N)c(=O)n(C)c1=O 191861449 RCHRARJMRAYKJH-UHFFFAOYSA-N 308.297 1.296 30 50 DDEA N#Cc1ccc(OC[C@H](O)CN2CCOCC3(CCC3)C2)cc1 368117389 AYLFWSWSNVXLCH-MRXNPFEDSA-N 316.401 1.800 30 50 DDEA C#CCCC1(CCNC(=O)c2cnn([C@@H]3CCCNC3)c2)N=N1 2325900588 BAMSYRUOWHRNHZ-CQSZACIVSA-N 314.393 1.503 30 50 DDEA CCOC(=O)[C@@H](C)C(CCC#N)(C(=O)OCC)C(=O)OCC 1699076 SIMLAXQBSRSEKJ-LLVKDONJSA-N 313.350 1.602 30 50 DDEA CN1CCN(/C(O)=N/C(C2CC2)C2CC2)C[C@@H]1c1ncc[nH]1 328641356 XUXBUQUAJNQXEU-CYBMUJFWSA-N 303.410 1.801 30 50 DDEA COc1ccc(N/C(S)=N/N2CCN(C)CC2)cc1OC 8682690 JNBLZPDIRJXXRL-UHFFFAOYSA-N 310.423 1.564 30 50 DDEA CCn1cnnc1[C@H]1CN(C(O)=Nc2cc(C)ccn2)CCO1 328617912 DERIVEFLHVDOPU-GFCCVEGCSA-N 316.365 1.620 30 50 DDEA Cc1cnn(C[C@@H]2CN(c3snc(C)c3C#N)CCO2)c1 328795384 CFTWJDNKJSROKU-LBPRGKRZSA-N 303.391 1.734 30 50 DDEA CCN1C(=O)[C@@H]2CN(Cc3cc(F)ccc3C#N)CCN2C1=O 362821657 BKCRMHWWMYQCAY-AWEZNQCLSA-N 316.336 1.166 30 50 DDEA N#Cc1ccnc(CN2CCC(N3CCC(O)CC3)CC2)c1 299778197 GWFJSRSJFCLGCV-UHFFFAOYSA-N 300.406 1.374 30 50 DDEA C=CCN1C[C@@H](C(=O)NCC2(N(C)C)CCCCC2)CC1=O 584884491 XRENOUJQLGJLNY-AWEZNQCLSA-N 307.438 1.402 30 50 DDEA CC#CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 1875376682 FRLDTPVAWZUXMD-AALSBFMBSA-N 302.418 1.990 30 50 DDEA OCC#Cc1csc(CNCCN2CCCC[C@@H]2CO)c1 952964624 OLFOLTDRROFBSJ-OAHLLOKOSA-N 308.447 1.028 30 50 DDEA COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(C)=O 170008785 WDCXANZEXWZEQK-UHFFFAOYSA-N 319.166 1.731 30 50 DDEA in-vitro C#CCOc1ccc(/C=C2/NC(=O)NC2=O)cc1Br 12342720 FNTWHQRIFPSWBY-JXMROGBWSA-N 321.130 1.641 30 50 DDEA C=C(C)CNCc1cccc(OC[C@@H](O)CN2CCOCC2)c1 15061953 QSFLNPXMPKANIL-KRWDZBQOSA-N 320.433 1.424 30 50 DDEA Cn1cc(C/C(O)=N/C[C@@H]2C[C@H](F)CN2c2cccnn2)cn1 328646165 SLAHISHZEUEAIE-STQMWFEESA-N 318.356 1.326 30 50 DDEA C#CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCc1ccc2nc(C)[nH]c2c1 2325790372 HNHKPTCHPWFRMA-UONOGXRCSA-N 324.384 1.215 30 50 DDEA C=CCN1C(=O)/C(=C\Nc2cccc(C)c2)C(=O)NC1=S 2832261 AZZFBZZDFSOPDD-XFXZXTDPSA-N 301.371 1.720 30 50 DDEA C=CCNC(=O)CSc1nc(=O)c2c(C)c(C)sc2[nH]1 8673085 UIVVYZRAUCJZHH-UHFFFAOYSA-N 309.416 1.996 30 50 DDEA O/C(=N/CCc1nnc2n1CCCCC2)NC[C@H]1CCSC1 328587716 GCYWTLWCQSEEFR-GFCCVEGCSA-N 323.466 1.804 30 50 DDEA CCCc1c(N[C@@H]2CCNC2=O)cnn1-c1cccc(C#N)c1 370497146 ABGYOINDSYPGMG-CQSZACIVSA-N 309.373 1.997 30 50 DDEA CC(=O)c1c(C)nn(CC(=O)N2CCC[C@@](C)(C#N)C2)c1C 221294952 VRBNQIKXIYVTGL-INIZCTEOSA-N 302.378 1.855 30 50 DDEA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc(O)cc1O)[C@@H]1C[C@@H]31 239203255 SARFGFVEVQWMID-JKPJVAMOSA-N 324.336 1.485 30 50 DDEA C=CC[C@]1(C(=O)O)CCCN(c2cc(NCCO)ncn2)C1 91382184 PGJAIXFTZQRWJS-HNNXBMFYSA-N 306.366 1.128 30 50 DDEA Cn1cnnc1C[C@]1(O)CCCN(c2ccc(C#N)cc2F)C1 886065805 VNNOJRIUSVDZLX-MRXNPFEDSA-N 315.352 1.400 30 50 DDEA CNC(=O)[C@]1(COC)CCCN1Cc1ccc(F)c(C#N)c1 591648024 ZIOSWEQARZKHBW-MRXNPFEDSA-N 305.353 1.424 30 50 DDEA C[C@@](C#N)(NC(=O)CN1CCO[C@@H](c2nccs2)C1)C1CC1 222210225 NPSGOFTTYMAWLP-DOMZBBRYSA-N 320.418 1.325 30 50 DDEA N#Cc1cnc(SCc2nc3ccccc3c(=O)[nH]2)nc1N 7462708 VRCHXERFYPDMKX-UHFFFAOYSA-N 310.342 1.459 30 50 DDEA Cc1ccc(C#N)cc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)N 226942968 LQLSRZRMHUISBD-JSGCOSHPSA-N 307.419 1.757 30 50 DDEA CSC[C@H](C)/N=C(/O)N1CCO[C@H](CN(C)CC2CC2)C1 328635878 NSXBBCFCCCSQPA-GXTWGEPZSA-N 315.483 1.695 30 50 DDEA C[C@@H]1C[C@H](N2CCCC2)CN1/C(O)=N/CC1([S@](C)=O)CC1 329455771 MROIWVHWEVKPJA-BHVCSQLQSA-N 313.467 1.370 30 50 DDEA Cc1nnc(N2CCC[C@@]3(C2)N=C(O)N=C3O)c(C#N)c1C 329176660 BYKYEPBHBGIZFO-AWEZNQCLSA-N 300.322 1.188 30 50 DDEA C[C@@H]1C(=O)N(Cc2nnc(-c3cccc(C#N)c3)o2)C(=O)[C@@H]1C 332141398 PVWSVENVPGDMEV-AOOOYVTPSA-N 310.313 1.749 30 50 DDEA CN1CCN(c2nccnc2C#N)C[C@@H]1c1nc(C2CC2)no1 284630961 TZQXRFARXOJYGJ-GFCCVEGCSA-N 311.349 1.102 30 50 DDEA CN1C[C@@H]2[C@@H](CCCN2C(=O)c2ccc(F)c(C#N)c2)C1=O 285385398 WSOLSJWJCNCTQF-TZMCWYRMSA-N 301.321 1.390 30 50 DDEA C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1CO 189171144 OCDJBQIGBYJBKX-KOLCDFICSA-N 314.794 1.461 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@H]32)N=N1 1616032970 YDIANRZLSHYQEQ-WUHRBBMRSA-N 303.362 1.958 30 50 DDEA CC#CCN(C)S(=O)(=O)c1cc(Cl)c(C)c(C(=O)O)c1 871968516 CUPUHEHWIUSGNJ-UHFFFAOYSA-N 315.778 1.990 30 50 DDEA N#Cc1c[nH]c(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)c1 584895613 UOYRLSSXZIPPSS-GFCCVEGCSA-N 300.362 1.407 30 50 DDEA C#CCCCCCC(=O)N1CCS(=O)(=O)c2c1c(C)nn2C 584908527 KJRPYOVKQWGUTQ-UHFFFAOYSA-N 323.418 1.433 30 50 DDEA C=C[C@@H](COC)NS(=O)(=O)c1ccc(C(=O)O)cc1Cl 1329633251 RJSHWOMFISCRFJ-VIFPVBQESA-N 319.766 1.518 30 50 DDEA Cc1cc(=NCc2cc(O[C@H]3CCNC3)ccn2)c(C#N)c[nH]1 818629510 XUTSLXHDYUDJQV-INIZCTEOSA-N 309.373 1.431 30 50 DDEA CCNC(=O)[C@H](CNc1ncccc1C#N)C1CCOCC1 1775959980 KULOQVYYEZUAGQ-CQSZACIVSA-N 302.378 1.544 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H]2CC[C@H](Cn3ccnc3)O2)N=N1 2325891436 GSWWKSGVQVEJKX-KGLIPLIRSA-N 315.377 1.513 30 50 DDEA C[C@H](O)CN(C)c1cc(N(C)C[C@H](C)O)c([N+](=O)[O-])cc1C#N 225818448 AQNHSOBTZGTNFC-QWRGUYRKSA-N 322.365 1.100 30 50 DDEA CCc1ocnc1/C(O)=N/C1CCN(c2nccn2C)CC1 328739989 IGDQTOGWPRWGBX-UHFFFAOYSA-N 303.366 1.944 30 50 DDEA CN1CCO[C@H](/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 328624478 JYPWRJKSSPSVFE-JYJNAYRXSA-N 318.421 1.362 30 50 DDEA N#Cc1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 230113923 TYCNWUVDVNXRRG-HUUCEWRRSA-N 306.387 1.890 30 50 DDEA N#Cc1ccncc1NC[C@]1(N2CCOCC2)CCSC1 361796965 GOCJZMYBETWUGV-OAHLLOKOSA-N 304.419 1.573 30 50 DDEA O=[S@@+]1(O)C[C@@H]2[C@H](C1)NC(=S)N2Cc1ccccc1Cl 334158565 VJSHBDSKZLBPOD-WDEREUQCSA-P 317.843 1.753 30 50 DDEA Cc1cc(C#N)ccc1-c1cccc(C(=O)N(CCO)CCO)c1 299761033 UAFCVWLTJBZDJI-UHFFFAOYSA-N 324.380 1.961 30 50 DDEA Cn1ncc(C#N)c1NS(=O)(=O)c1cccc2c1CCCC2 170603066 VPEKJMYRHBHUJA-UHFFFAOYSA-N 316.386 1.971 30 50 DDEA CCn1ncc(C#N)c1NS(=O)(=O)c1cn(CC(C)C)cn1 195573266 MTMVJMJJYZWBEH-UHFFFAOYSA-N 322.394 1.428 30 50 DDEA C#C[C@](C)(CC)NS(=O)(=O)c1ccc(F)c(NC(C)=O)c1 585114502 GABHUNUBZMFVFR-CQSZACIVSA-N 312.366 1.864 30 50 DDEA Cc1cc(C#N)cc(N(C(=O)COC[C@H]2CCCO2)C2CC2)n1 585125296 MSOLDABTDICKEN-OAHLLOKOSA-N 315.373 1.953 30 50 DDEA CN(CCc1ncccn1)CC(=O)NC1(C#N)CCCCC1 1615550054 KRWSHILTYWXBMI-UHFFFAOYSA-N 301.394 1.294 30 50 DDEA N#Cc1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)nc1 330031840 DWPDBDDNKAYNPX-UHFFFAOYSA-N 311.725 2.547 30 50 DDEA CN(C)C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 408130760 WAMVBBGGLSWWEQ-UHFFFAOYSA-N 303.366 1.104 30 50 DDEA CC#CC(=O)NC[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1875370151 DGRMVGRDPRSZAV-AVGNSLFASA-N 308.378 1.150 30 50 DDEA C#CCOCCC(=O)N1C[C@@](O)(C(F)(F)F)c2cccnc21 1875391475 MDYQUZWCIMYHOG-ZDUSSCGKSA-N 314.263 1.218 30 50 DDEA C[C@H](/C(O)=N/Cc1nc(O)n[nH]1)N1CCc2ccccc2C1 330072794 ZIBGCTVYJVHATH-SNVBAGLBSA-N 301.350 1.414 30 50 DDEA C[C@@H]1C[C@H](C/N=C(/O)Nc2ccn(CCN(C)C)n2)CCO1 330624215 FZYDMQQTVSJPLT-CHWSQXEVSA-N 309.414 1.586 30 50 DDEA C[C@@H]1CN(c2ncccc2C#N)CC[C@@]1(O)C1CCOCC1 91792727 RGFNTCXRDSISEF-DYVFJYSZSA-N 301.390 1.957 30 50 DDEA CC(C)(C)NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 169746181 POBNCDYVYRUCQZ-UHFFFAOYSA-N 304.199 1.909 30 50 DDEA in-vitro CN(C)CCO/C(O)=N/S(=O)(=O)c1ccccc1Cl 19300259 GJCKHJBCGNNKLZ-UHFFFAOYSA-N 306.771 1.521 30 50 DDEA Cc1ccc(S(=O)(=O)O/N=C2\CCCc3nonc32)cc1 4322173 ITSHUGMYSYPFOY-NTCAYCPXSA-N 307.331 1.824 30 50 DDEA CN(C)C(=O)C[C@]1(O)CCCN(Cc2cccc(C#N)c2F)C1 591645094 ITWKERIFTSIDKQ-QGZVFWFLSA-N 319.380 1.503 30 50 DDEA CNC(=O)C[C@]1(O)CCCN(c2c(C#N)cnc3ccccc23)C1 591619467 CPKCHJYGIRTIOX-GOSISDBHSA-N 324.384 1.574 30 50 DDEA C#CCCC1(CCC(=O)N2C[C@H](CC(N)=O)OC(C)(C)C2)N=N1 1875381764 HGMVVFBXSLKEBW-LBPRGKRZSA-N 320.393 1.224 30 50 DDEA N#Cc1cnc(N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)cn1 1775958387 VUAFFEBYEZLIOO-QWHCGFSZSA-N 302.334 1.197 30 50 DDEA C#Cc1cccc(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)c1 2325776116 OJINEZNKTRYPMS-QGZVFWFLSA-N 311.429 1.566 30 50 DDEA C#CC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2C)C1=O 225436021 WYCMSMCOGDYZEB-LBPRGKRZSA-N 319.748 1.531 30 50 DDEA CNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 114906440 GIBRBXSXMXRGOR-JTQLQIEISA-N 304.325 1.687 30 50 DDEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cnn(C)c1C 5728495 IDYUQVUXKZZIPM-OAHLLOKOSA-N 315.373 1.869 30 50 DDEA O/C(=N/C[C@@H]1C[C@H](F)CN1c1cccnn1)NCc1ccco1 328625597 DHXLDYOOHWWWDM-RYUDHWBXSA-N 319.340 1.690 30 50 DDEA Cc1cc(/C(O)=N/C(C)(C)c2noc(CN(C)C)n2)cnn1 329906737 SKXRIMLXKRAJFC-UHFFFAOYSA-N 304.354 1.470 30 50 DDEA Cc1noc([C@@H]2CN(Cc3ccc(F)cc3C#N)CCN2C)n1 332371129 WTWCKWPTGXEXKZ-HNNXBMFYSA-N 315.352 1.878 30 50 DDEA Cc1ccncc1CN(C)C(=O)NC1CCN(CC#N)CC1 619425506 DQABACJJHAWZLY-UHFFFAOYSA-N 301.394 1.519 30 50 DDEA Cn1cnc2c(c1=O)CCN(/C(O)=N/CCOC1CCCC1)C2 328623145 IXXGINWGZULUEB-UHFFFAOYSA-N 320.393 1.012 30 50 DDEA C=CCN(CC(=O)O)c1nc(C(F)(F)F)nc2[nH]cnc12 910403066 YYPXDQZBJAOWSU-UHFFFAOYSA-N 301.228 1.449 30 50 DDEA C=C[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=C)C 266811 RKOCUCLKSYBFMT-VIFPVBQESA-N 306.391 1.666 30 50 DDEA C=CCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898263 MYZNHKPTOHOUQG-UHFFFAOYSA-N 322.430 1.531 30 50 DDEA COC(=O)c1cn([C@@H]2CCCN(c3ccc(C#N)nc3)C2)nn1 253430119 WZKIQUHAZUYTKD-CYBMUJFWSA-N 312.333 1.173 30 50 DDEA CS(=O)(=O)[C@@H]1CCCC[C@H]1/N=C(/O)[C@@H]1C[C@@]12CCOC2 329232202 LDAKUKNTDDQYRK-FMCLSXCISA-N 301.408 1.725 30 50 DDEA Cc1conc1N/C(O)=N/[C@H]1CCCO[C@@H]1c1cnn(C)c1 328629173 ONXJQDKWNVUSLD-NWDGAFQWSA-N 305.338 1.963 30 50 DDEA N#C[C@]12C(N)=NC3(OCCO3)[C@@]1(C#N)[C@@H]2c1cccc(Cl)c1 15319188 PISFUCYYRBHJCB-XBFCOCLRSA-N 314.732 1.529 30 50 DDEA Cc1ccn2c(C(=O)N3CCn4nc(C#N)cc4C3)c(C)nc2c1 426633760 CZTUKNPVLALFOZ-UHFFFAOYSA-N 320.356 1.675 30 50 DDEA OCC#Cc1csc(CN2CCC3(CC2)CNCCO3)c1 828644675 YJVRVQQGGPUGCE-UHFFFAOYSA-N 306.431 1.046 30 50 DDEA CC(C)(CCCO)CNS(=O)(=O)c1ccc(C#N)s1 230350266 HXCLKWKLXCGGRF-UHFFFAOYSA-N 302.421 1.697 30 50 DDEA C=C[C@H]1OCC[C@@H]1C(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 1857532011 PTDTXBBJCHQPRR-KWCYVHTRSA-N 320.393 1.174 30 50 DDEA CCN1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1c1nccn1C 328621222 HOTXVYGSYQUQAV-CQSZACIVSA-N 312.377 1.139 30 50 DDEA Cn1cc(CC(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)nn1 1875277761 CXTUIQIGFTZUEW-JTQLQIEISA-N 309.251 1.648 30 50 DDEA C#CCCC1(CCNC(=O)[C@H](c2ccccc2)n2cnnn2)N=N1 2325887284 BHNRGHHVDFGPTP-AWEZNQCLSA-N 323.360 1.344 30 50 DDEA Cc1n[nH]c(C)c1CCCn1ccc2[nH]c(=O)c(C#N)cc2c1=O 67490287 WDZWLEGOQIIAQM-UHFFFAOYSA-N 323.356 1.534 30 50 DDEA OCC1(C/N=C(/O)[C@@H]2CCc3nncn3C2)CC2(CCC2)C1 329079235 QSKXQGLFEHMPCB-GFCCVEGCSA-N 304.394 1.740 30 50 DDEA Cn1cc(C#N)cc1C(=O)N1CCC[C@](O)(C(F)(F)F)CC1 375861112 LPLZOWIMYHVYKR-CYBMUJFWSA-N 315.295 1.816 30 50 DDEA N#Cc1c(N)nc2c(c1-c1cccn1-c1ncccn1)COCC2 71749659 LNSVDAOBTJDQFM-UHFFFAOYSA-N 318.340 1.856 30 50 DDEA Cn1c(CO)nnc1[C@@H]1CCCN(Cc2ccccc2C#N)C1 97413334 ACLQXJLYRXDBAH-OAHLLOKOSA-N 311.389 1.559 30 50 DDEA CN1CCCNC(=O)C12CCN(Cc1ccccc1C#N)CC2 97528036 KWAVOJOHMBMCQU-UHFFFAOYSA-N 312.417 1.345 30 50 DDEA C=CC[C@]1(C(=O)O)CCCN(Cc2cn(CCO)nc2C)C1 91255864 CNNJPZUTWQBTLT-INIZCTEOSA-N 307.394 1.427 30 50 DDEA 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(O)cc1O 252428645 SARFGFVEVQWMID-KVJLEYCUSA-N 324.336 1.485 30 50 DDEA C=CCOc1ccccc1C(=O)N1CCC(CO)(OC)CC1 401824268 HDTJHDAGMHIFCT-UHFFFAOYSA-N 305.374 1.865 30 50 DDEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(N)c([N+](=O)[O-])c1 170008019 SIZPDVKIJUYYMG-UHFFFAOYSA-N 322.126 1.263 30 50 DDEA O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2cccs2)cc1 372853 CTHRXXPJWNQKDY-XYOKQWHBSA-N 311.344 1.969 30 50 DDEA O/C(=N/Cc1nncn1C1CC1)C1(N2CCOCC2)CCC1 329097100 LLLXXSHLADYXLZ-UHFFFAOYSA-N 305.382 1.324 30 50 DDEA N#Cc1ccc(OC2CN(C(=O)C[C@H]3CCCC(=O)N3)C2)cc1 368136474 VKSSKDAPXULXAE-CYBMUJFWSA-N 313.357 1.207 30 50 DDEA C=CCn1cc(CN2CCCN(C(=O)C3CCC3)CC2)cn1 820505260 HOFIFLHOYIJQHJ-UHFFFAOYSA-N 302.422 1.904 30 50 DDEA N#Cc1cnc(NC[C@@H]2CC(=O)N(C3CCCC3)C2)nc1N 670451125 YUHSIBMGDWYQNX-JTQLQIEISA-N 300.366 1.133 30 50 DDEA COc1ccc(/C=C2/S/C(=N\C(C)=O)NC2=O)c(OC)c1 5061439 VBTDIVURDFYYCV-WUXMJOGZSA-N 306.343 1.810 30 50 DDEA COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCN(C)C)cc1 19882013 ZKFHWBXDRFBOOZ-OAHLLOKOSA-N 318.373 1.541 30 50 DDEA N#CCOc1ccccc1/C=C/c1nc(O)[nH]c(=O)c1[N+](=O)[O-] 4565351 SSBMBTBQLYNLHQ-AATRIKPKSA-N 314.257 1.456 30 50 DDEA N#CCc1cccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 332014002 YAYSYWOFEHQSCP-ZACQAIPSSA-N 314.385 1.755 30 50 DDEA C#CCCC1(CCNC(=O)c2cc3n(n2)CCC[C@@H]3N)N=N1 2325900566 AFKURNMBSZFHNU-NSHDSACASA-N 300.366 1.372 30 50 DDEA C=CCn1c(=O)c2c(nc3n([C@H](C)CC)c(C)cn23)n(C)c1=O 10233516 SGGIAIHEYYIVCA-SNVBAGLBSA-N 315.377 1.615 30 50 DDEA C[C@H](Cn1cccn1)/N=C(/O)[C@@H]1CCO[C@H]1c1ccnn1C 328627529 MVNQWHOPSGDAJM-YRGRVCCFSA-N 303.366 1.739 30 50 DDEA Cn1cc(C#N)c(NC(=O)c2csc([C@H]3CCCO3)n2)n1 328880316 VTAMHDNZZHLNKG-SNVBAGLBSA-N 303.347 1.852 30 50 DDEA CC(C)OC[C@@H]1CN(C(=O)COc2ccccc2C#N)CCO1 372178743 MEIQURIAEGZDQB-HNNXBMFYSA-N 318.373 1.589 30 50 DDEA CC(C)N/C(=N/[C@H]1CCc2ccccc2C1)NCC(=O)N(C)C 170652251 XAZFPBJEFXDQNW-INIZCTEOSA-N 316.449 1.576 30 50 DDEA Cc1cnc(N2CCN(CCOc3ccccc3C#N)CC2)nc1 1616031156 JELAUNMNHMLCLI-UHFFFAOYSA-N 323.400 1.858 30 50 DDEA O=C1NC(=S)NC(=O)C1=NNc1ccccc1-c1ccccc1 5687439 XSKNONCGKUVTBD-UHFFFAOYSA-N 324.365 1.652 30 50 DDEA CC[C@@](C)(C#N)C(=O)Nc1cc(C(=O)NC)cc(C(=O)NC)c1 2325872514 BARCCXKLRSMQLI-INIZCTEOSA-N 316.361 1.284 30 50 DDEA C=C(C)Cn1c(N2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 287525 FIKVDSYHDCXTJL-UHFFFAOYSA-N 317.393 1.000 30 50 DDEA NC(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1 3818556 ARJCBSRIPGJMAD-LLVKDONJSA-N 324.381 1.898 30 50 DDEA in-vivo CCOC(=O)C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 170005243 LWUMIXKARPXBIS-UHFFFAOYSA-N 322.141 1.871 30 50 DDEA C=CCN1CC[C@H](Nc2cc([N+](=O)[O-])ccc2NCCO)C1=O 252498613 RGDBARZEWFWPEB-ZDUSSCGKSA-N 320.349 1.198 30 50 DDEA Cn1nccc1CN1C[C@@H](F)C[C@H]1C/N=C(/O)C1=COCCC1 328630315 JFMCGCFAZPGUGF-ZFWWWQNUSA-N 322.384 1.983 30 50 DDEA N#CCN(CC#N)S(=O)(=O)c1ccc2c(c1)CCCC2=O 293179542 TVLDDLDDHWIOPA-UHFFFAOYSA-N 303.343 1.243 30 50 DDEA COC(=O)c1cc(C#N)ccc1SC[C@H](C)S(C)(=O)=O 1875266245 ZVGZGXDEYCOIRR-VIFPVBQESA-N 313.400 1.870 30 50 DDEA C#CCN1C(=O)S/C(=C/c2ccc(OCC(=O)O)cc2)C1=O 12342672 RXQJWTTUWMCLBS-XYOKQWHBSA-N 317.322 1.820 30 50 DDEA C=CC[C@H](CC)NC(=O)N1CCC(CS(N)(=O)=O)CC1 253394699 BZINCMUFKYPKDD-LBPRGKRZSA-N 303.428 1.051 30 50 DDEA C#CCCC1(CCC(=O)N(C)Cc2cnn3c2CNCC3)N=N1 2325901262 ZYWBZCIRRKTIPY-UHFFFAOYSA-N 314.393 1.300 30 50 DDEA CC(O)=Nc1ccn([C@H]2CCN(C(=O)c3cccn3C)C2)n1 328610736 IZRGXYXHGYYIDJ-LBPRGKRZSA-N 301.350 1.917 30 50 DDEA CN1CCN(/C(O)=N/C[C@@H]2CCCS2)C[C@@H]1c1ncc[nH]1 328631820 RJRWYBKATMFWLR-NWDGAFQWSA-N 309.439 1.508 30 50 DDEA N#Cc1cccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)c1 275370519 YOFKJGUKWPPKJN-AULYBMBSSA-N 322.386 1.728 30 50 DDEA N#Cc1cccnc1NCCNc1cc(-n2cccn2)nc(N)n1 771655402 XDXKIIAYDQJGBV-UHFFFAOYSA-N 321.348 1.035 30 50 DDEA CC(C)(C)n1cnc(N/C(O)=N/[C@H]2c3ccccc3C[C@H]2O)n1 329763983 VEGRKQRJUYLILK-OLZOCXBDSA-N 315.377 2.017 30 50 DDEA CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(C#N)nc1 1875252295 XNCVVZXUDXUQTI-UHFFFAOYSA-N 319.324 1.422 30 50 DDEA Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)[C@H]3CO3)no2)cn1 1875373267 XHQUMDYRTXEJGX-NWDGAFQWSA-N 317.349 1.313 30 50 DDEA N#C[C@H]1C(=O)Nc2[nH]c(N)nc(=O)c2[C@H]1c1ccc(Cl)cc1 6667765 NFGHAKSXFCUBMH-BDAKNGLRSA-N 315.720 1.229 30 50 DDEA CCN1CCO[C@H](C(=O)N[C@H](C#N)c2ccc(F)cc2F)C1 110651420 IRXMIKNJWXAMRT-KGLIPLIRSA-N 309.316 1.366 30 50 DDEA Cc1ccnc(NCCn2ccc3[nH]c(=O)c(C#N)cc3c2=O)c1 67834204 BNCLYEXDPSCIJE-UHFFFAOYSA-N 321.340 1.377 30 50 DDEA CC(O)=Nc1ccn([C@@H]2CCN(Cc3cn(C)nc3C)C2)n1 328629314 OQGBAYSMBZOVHQ-CQSZACIVSA-N 302.382 1.980 30 50 DDEA N#Cc1ccc(F)c(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1 299744827 QCHGTEMSRMMBEO-GHMZBOCLSA-N 315.270 1.793 30 50 DDEA CC(C)(O)C#Cc1ccc(C(=O)NCc2cc(O)ncn2)cc1 952985524 WKHFUKBDQMXFGI-UHFFFAOYSA-N 311.341 1.235 30 50 DDEA N#CCC(=O)N1CCN(CCC(=O)Nc2ccc(F)cc2)CC1 408523558 LDGNRZDSKSJSJR-UHFFFAOYSA-N 318.352 1.212 30 50 DDEA CN(Cc1ccccc1)c1ccc(C#N)cc1S(N)(=O)=O 170601965 HQUNOTQVOGBVBD-UHFFFAOYSA-N 301.371 1.842 30 50 DDEA COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@](C)(N(C)C)C1 1615586724 XPYZWFZGDNIAGR-OAHLLOKOSA-N 323.418 1.282 30 50 DDEA CCN(CCC#N)C(=O)C(=O)Nc1ncc([C@H]2CCOC2)s1 2325813459 DAMPTRJSQUJJFZ-JTQLQIEISA-N 322.390 1.348 30 50 DDEA C#CCCC1(CCNC(=O)COc2cnn(C(C)C)c2)N=N1 2325900138 MGCXKBRLTXITTQ-UHFFFAOYSA-N 303.366 1.925 30 50 DDEA C#CCN1C(=O)[C@](O)(CC(=O)c2ccccc2O)c2ccccc21 315166 POINCUQKTYOZCC-IBGZPJMESA-N 321.332 1.833 30 50 DDEA N#Cc1cc(F)c(C(=O)N2CCC[C@H](OCCO)C2)c(F)c1 178680388 CNHLXPPKYIDICP-NSHDSACASA-N 310.300 1.450 30 50 DDEA Cc1nn(C)c(NS(=O)(=O)c2cn(C(C)C)cn2)c1C#N 585129804 XJKMQFJPUUVJKP-UHFFFAOYSA-N 308.367 1.178 30 50 DDEA CO[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1Cc1cc(C)no1 1704280012 HTUVEUQYFMVREJ-DOMZBBRYSA-N 314.345 1.513 30 50 DDEA C#Cc1ccc(CN2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)cc1 14954287 BDYPVKGEHJCQQB-RTBURBONSA-N 314.429 1.060 30 50 DDEA COCC[C@@H]1COCCN1C(=O)[C@H](C)/N=C(/O)c1ccoc1 330900167 AIGDXFGJSKIEAI-WCQYABFASA-N 310.350 1.237 30 50 DDEA CC(C)(CC#N)CS(=O)(=O)N1CC2(CCC2)[C@@H]2COC[C@H]21 575603644 NHOLXJVAHGGMDB-CHWSQXEVSA-N 312.435 1.757 30 50 DDEA COc1cccc(CN(C)C(=O)CN2CC[C@@](O)(CC#N)C2)c1 592147829 OWEPWUONHAWPIF-KRWDZBQOSA-N 317.389 1.004 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@H]2CN2CCOCC2)N=N1 952880241 DKSMNIAIZNXXCG-HNNXBMFYSA-N 318.421 1.665 30 50 DDEA COC1CC2(CCN(S(=O)(=O)c3cccnc3C#N)CC2)C1 2325890793 LEDCDJRKYNETSW-UHFFFAOYSA-N 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C=CC[C@]1(CO)CCCN(c2cncc(C(=O)N(C)C)n2)C1 91616982 ZFYKDLBLJDOKCO-INIZCTEOSA-N 304.394 1.333 30 50 DDEA C[C@H]1C[C@@H](C)C[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1 585121035 COXQOJZRLUATHX-PJXYFTJBSA-N 318.377 1.152 30 50 DDEA N#Cc1ccc(Cl)c(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)c1 597835392 DUBGJZLEQWRTGO-BFHYXJOUSA-N 316.748 1.512 30 50 DDEA CO/N=C/C(=O)NCCc1cn(Cc2ccc(Cl)cc2)cn1 1616032871 XMMBFLHZALVHTO-UFWORHAWSA-N 320.780 1.876 30 50 DDEA CC(C)(C)OC(=O)NC1CNC(=NCc2ccccc2)NC1 1775997409 FCQQJMMTAHQARC-UHFFFAOYSA-N 304.394 1.629 30 50 DDEA CCN1CCN(/C(O)=N/C2CCOCC2)C[C@@H]1c1ncc[nH]1 328635200 URCUHLMWIUBJNH-CYBMUJFWSA-N 307.398 1.181 30 50 DDEA C[C@@H](CCS(C)(=O)=O)NC(=O)NCCc1cccc(C#N)c1 252491525 LNWGXBFCMLCZFP-LBPRGKRZSA-N 323.418 1.223 30 50 DDEA Cn1cnnc1[C@@H]1CN(/C(O)=N/CCc2ccsc2)CCO1 328626566 LWAIZSNZLGBASP-LBPRGKRZSA-N 321.406 1.407 30 50 DDEA C[C@@H]1CCCC[C@@H]1C/N=C(/O)N1CCc2c(ncn(C)c2=O)C1 328623764 JMIRBHAOKJXHSS-CHWSQXEVSA-N 318.421 1.879 30 50 DDEA 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XVZSXZLNWCXYDN-KWCYVHTRSA-N 318.381 1.039 30 50 DDEA CC(C)n1cc([C@@H]2CN(c3ccc(C#N)nc3)C[C@H]2CO)cn1 299743113 LVXWCVFVMIKRNZ-YOEHRIQHSA-N 311.389 1.943 30 50 DDEA C#Cc1ccc(C(=O)N2C[C@@H](N(C)C)C3(CCOCC3)C2)cc1 1615615904 ZDROWAFVZYIOQJ-QGZVFWFLSA-N 312.413 1.851 30 50 DDEA C=CCN1C(=O)NC(=O)/C(=C\c2cnn(-c3ccccc3)c2)C1=O 4754585 OVHRSVKCDGIQGC-NTEUORMPSA-N 322.324 1.520 30 50 DDEA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])s1 100532550 FJVNPFQUNVYBKJ-OLNKJPMGSA-N 317.326 1.797 30 50 DDEA C=CCN(Cc1cccc(OC)c1)C(=O)C(=O)N1CCCC1 55369118 DDNBWENAAQCEKS-UHFFFAOYSA-N 302.374 1.832 30 50 DDEA C=CCNc1ccccc1C(=O)N1CC[C@H](O)C[C@@H]1C(=O)O 65396639 URJRUVACVGHDSL-SMDDNHRTSA-N 304.346 1.335 30 50 DDEA CN1CCN(Cc2ccc(C#CC(C)(C)O)cc2)C[C@H]1C(=O)O 67820323 AJWIXBSGZVKVDV-INIZCTEOSA-N 316.401 1.010 30 50 DDEA Cn1ccnc1C[C@H]1CCCN(S(=O)(=O)CCCC#N)C1 122137440 ZDPLZPSBIVFZKJ-CYBMUJFWSA-N 310.423 1.308 30 50 DDEA C[C@H](/N=C(/O)CN1CC[C@@](C)(NCC(=O)O)C1)c1ccccc1 328605724 OXVJPBDGSBAUBE-SUMWQHHRSA-N 319.405 1.843 30 50 DDEA CC(C)N1C[C@H](/N=C(/O)[C@@H]2CCO[C@H]2c2ccnn2C)CC1=O 328633066 SIZGMFWASILIJZ-LALPHHSUSA-N 320.393 1.464 30 50 DDEA Cc1ccnc(N2CCC([C@H](O)c3nccn3C)CC2)c1C#N 241588271 PBOZNOGKSZBORI-HNNXBMFYSA-N 311.389 1.945 30 50 DDEA CN1CCN(CCCSc2nc(N)c(C#N)cc2C#N)CC1 130129928 LJWUJOLNALNICN-UHFFFAOYSA-N 316.434 1.137 30 50 DDEA N#Cc1ccc(CC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 286268974 LUAZOJZVVHJYNX-ZACQAIPSSA-N 314.385 1.489 30 50 DDEA CC1(C)OB(c2cc(F)ccc2CN2CCOCC2)OC1(C)C 238791301 IJRINMNDYYMVNW-UHFFFAOYSA-N 321.201 1.957 30 50 DDEA CC(C)C(=O)N1CCC[C@@H](NCc2cc(C#CCO)cs2)C1 952972121 ZJHAWCPGHDNLKG-OAHLLOKOSA-N 320.458 1.829 30 50 DDEA C=CCOc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)O)C2)cc1OC 408521436 UHTITLCKPPQDTN-MLGOLLRUSA-N 321.373 1.482 30 50 DDEA N#Cc1cc(N2CCN(C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] 170596642 ROTKGVRTTKRBDY-CYBMUJFWSA-N 316.361 1.625 30 50 DDEA N#Cc1ccc(OC2CN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)cc1 372529760 DLXXMWLKVVPMBY-CYBMUJFWSA-N 322.368 1.676 30 50 DDEA C#CCCC1(CCNC(=O)Cn2cc([C@H]3CCOC3)cn2)N=N1 2325891531 NBORODNNOVKIRO-ZDUSSCGKSA-N 315.377 1.469 30 50 DDEA Cc1ccc(N=C(O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)cn1 328622506 IKYKMRYGFSHGPP-CYBMUJFWSA-N 300.366 1.647 30 50 DDEA CN(C/C(O)=N/[C@@H]1CCS(=O)(=O)C1)[C@@H]1C=CCCCCC1 328875072 ZHNLMPYQAJZZCT-ZIAGYGMSSA-N 314.451 1.951 30 50 DDEA Cc1nc([C@H]2COCCN2C(=O)/C=C/c2ccccc2C#N)no1 369283879 PAHMLYNCNSCXNY-LQYUOIDQSA-N 324.340 1.863 30 50 DDEA Cc1cc(NC(=O)c2cnn(CCN(C)C)c2)nn1CCC#N 601395035 BSYIKQQDSUJEKD-UHFFFAOYSA-N 315.381 1.116 30 50 DDEA C=CC[C@H]1CCN(C(=O)Nc2csc(S(N)(=O)=O)c2)C1 640748225 SQEKSHZAQYEQJO-VIFPVBQESA-N 315.420 1.825 30 50 DDEA CCn1ncc(C#N)c1NS(=O)(=O)c1c(F)cccc1F 195573274 ZTOFTVGCNHBIEO-UHFFFAOYSA-N 312.301 1.854 30 50 DDEA C=CCN1C[C@H](C)N(C(=O)CCCN2CCCCC2=O)C[C@@H]1C 1616098151 UQGBNBVURLGXHJ-HOTGVXAUSA-N 321.465 1.886 30 50 DDEA N#Cc1cc2n(n1)CCN(C(=O)c1ccc3sc(=N)[nH]c3c1)C2 1857723987 GMWZNJJINCITIB-UHFFFAOYSA-N 324.369 1.433 30 50 DDEA COc1ccnc(N2CC[C@@H](n3ccc(N=C(C)O)n3)C2)n1 328611033 KBQAWHLNYMDOLU-LLVKDONJSA-N 302.338 1.741 30 50 DDEA O/C(=N/CCC1(O)CCC1)N1CCN(CC(F)(F)F)CC1 328873299 JAOQEPIYKPEGKO-UHFFFAOYSA-N 309.332 1.385 30 50 DDEA C=CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)O 159595313 DRNZMKCRIRCNKM-CQSZACIVSA-N 309.387 1.873 30 50 DDEA C[C@H](Oc1ccccc1C#N)C(=O)N1CCO[C@H](CC(=O)O)C1 261793199 UALLMASKBLCIHG-WCQYABFASA-N 318.329 1.028 30 50 DDEA C=C[C@H](C)[C@H](OCOC)[C@@H]1O[C@@H]1C(=O)CO[C@H]1CCCCO1 257357965 RABFALAJFBIISA-WGIXJMRHSA-N 314.378 1.677 30 50 DDEA OCC#Cc1csc(CN2CCC[C@H](c3nc[nH]n3)C2)c1 828644642 QGSYMARHTLXYGS-ZDUSSCGKSA-N 302.403 1.590 30 50 DDEA CN(C)S(=O)(=O)c1cccc(NCc2cc(C#N)n(C)c2)c1 189584284 HNDNFDVTPXHESO-UHFFFAOYSA-N 318.402 1.759 30 50 DDEA C[C@@H]1CN(C2CC2)CCN1S(=O)(=O)CC1(C#N)CCCC1 1615057309 RSKMHJSAGSSXNB-CYBMUJFWSA-N 311.451 1.569 30 50 DDEA C=CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCCC 12647922 YGAJDOODJDJHQM-UHFFFAOYSA-N 319.409 1.612 30 50 DDEA biogenic N#Cc1ccc(OC2CN(C(=O)NCCn3ccnc3)C2)cc1 157338071 DMBGZPNDRJGECA-UHFFFAOYSA-N 311.345 1.228 30 50 DDEA C[C@H](Oc1cccc(C#N)c1)C(=O)N1CC(O)(c2cccnc2)C1 2325802599 PJTHKBPAIUEXIO-ZDUSSCGKSA-N 323.352 1.451 30 50 DDEA C#CCCC1(CCC(=O)NCc2nnc(C3CNC3)s2)N=N1 2325900578 ATUFHEIAWZHFMT-UHFFFAOYSA-N 318.406 1.197 30 50 DDEA N#Cc1cnc(SCC(=O)Nc2ccccc2F)nc1N 2884180 XCLCLUXCBINRJJ-UHFFFAOYSA-N 303.322 1.800 30 50 DDEA CC1=C(C)C(=NNC(N)=S)C(C)=C(C)C1=NNC(N)=S 6766318 YIMYFXSORKYYDA-UHFFFAOYSA-N 310.452 1.051 30 50 DDEA CC1(C)OB(c2cccc(CN3CC[C@@H](N)C3)c2)OC1(C)C 307231973 CBOUQJCUDBSRNE-OAHLLOKOSA-N 302.227 1.519 30 50 DDEA Cc1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)c(C#N)c1C 242302276 YQZAWDGLVNGLGP-ZBEGNZNMSA-N 302.378 1.739 30 50 DDEA CN1CCN(c2ncccc2C#N)C[C@@H]1c1nc(C2CC2)no1 284450834 GNVIZBPDPXIRDW-CYBMUJFWSA-N 310.361 1.707 30 50 DDEA N#Cc1ccc(Cl)cc1N1CCC[C@@](O)(Cn2ccnn2)C1 284753998 OCEULEOQVFEBOL-HNNXBMFYSA-N 317.780 1.835 30 50 DDEA N#Cc1cc(F)ccc1N1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1 284744737 NJMYCODQBVRXQZ-GOEBONIOSA-N 317.364 1.804 30 50 DDEA COCCN1C(=O)N[C@@H]2CN(c3ccc(F)cc3C#N)CC[C@@H]21 299744679 UDLSSHMCCPWMAY-HIFRSBDPSA-N 318.352 1.316 30 50 DDEA C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CC[C@](C)(C(=O)O)C1 237503624 UXQLRJLRNPJBAN-BZNIZROVSA-N 302.330 1.649 30 50 DDEA O=C(C[n+]1cccc(CO)c1)Nc1nc2ccccc2s1 2947718 OMKJKIYCWFOSLA-UHFFFAOYSA-O 300.363 1.715 30 50 DDEA C[C@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12 13974878 UJLAWZDWDVHWOW-AAEUAGOBSA-N 312.377 1.545 30 50 DDEA biogenic,in-vitro Cc1ccc(N2CCC[C@@H](N(C)c3nccnc3C#N)C2)nn1 376496622 YLPBSWMPQMIFCU-CYBMUJFWSA-N 309.377 1.552 30 50 DDEA COC[C@@H]1C[C@H](OC)CN1C(=O)COc1ccccc1C#N 284539480 HPHIZXLHKDWPQR-KBPBESRZSA-N 304.346 1.199 30 50 DDEA COc1ccc([C@@H](NC(=O)Cn2cc(C#N)nn2)C(C)C)cc1 585132883 DBYYYYQDYZYFSA-INIZCTEOSA-N 313.361 1.672 30 50 DDEA C=C(C)C[C@H](NC(=O)c1cccc2c1O[C@@H](C)C(=O)N2)C(=O)O 630317533 RUWXJHQAOPUGBV-CABZTGNLSA-N 318.329 1.555 30 50 DDEA Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 598319036 CEDRFYROTGGHGV-XHDPSFHLSA-N 313.361 1.518 30 50 DDEA Cc1ccc(O[C@@H]2CCN(S(=O)(=O)CC3(C#N)CC3)C2)cn1 328627518 MUQTZKYPHPTQJQ-CQSZACIVSA-N 321.402 1.477 30 50 DDEA C#CCCC1(CCC(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)O)N=N1 952876465 RPBUCNSBJCAOAH-FZMZJTMJSA-N 307.350 1.433 30 50 DDEA N#Cc1cnn(-c2ccc(NC(=O)[C@@H]3[C@H]4CCC(=O)[C@@H]43)cc2)c1 1875299610 PWDIFHLFCJGBGB-NUEKZKHPSA-N 306.325 1.908 30 50 DDEA N#Cc1c[nH]ccc1=NC[C@H]1CC[C@@H](c2n[nH]c(C3CC3)n2)O1 1775959203 LVPUKMFKPXAXHB-OCCSQVGLSA-N 310.361 1.703 30 50 DDEA CN(C(=O)CSc1ncc(C#N)c(N)n1)C1CCCCC1 7045713 DCQNIMXPJLNZHN-UHFFFAOYSA-N 305.407 1.814 30 50 DDEA C=CCn1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)n1 10010719 NPWDUBDWUCBNBB-UHFFFAOYSA-N 319.193 1.807 30 50 DDEA C#CC[C@H]1NC(=O)N(Cc2cc(C(=O)OC)ccc2Cl)C1=O 253430262 DZJDQMRWVDNSAO-GFCCVEGCSA-N 320.732 1.570 30 50 DDEA O=C(CC1=C(c2ccccc2)CCC1=O)NCc1nc(O)n[nH]1 426604695 ZHTDZCKKNLQYIT-UHFFFAOYSA-N 312.329 1.333 30 50 DDEA CC(C)[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1C(C)C 408519641 KPDHFBYNMYPLAQ-OLZOCXBDSA-N 304.394 1.072 30 50 DDEA N#Cc1ccc(N2CCN(CCOCCO)CC2)c(Cl)c1 277626679 AUJFTRHGYVLFQW-UHFFFAOYSA-N 309.797 1.343 30 50 DDEA C=CCNC(=O)CNC(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 170592244 CXBOIPNEANIRPW-KSSFIOAISA-N 313.401 1.492 30 50 DDEA N#Cc1ccc(NCC(=O)NCCN=S2(=O)CCCC2)cc1 585126774 IEVNTZFNBFSXFN-UHFFFAOYSA-N 320.418 1.348 30 50 DDEA CC(C)C/N=C(/O)N1CCC[C@H](C(=O)N(C)Cc2cc[nH]n2)C1 330909836 PCEFLLKRKDSMIU-ZDUSSCGKSA-N 321.425 1.650 30 50 DDEA C#CCCC1(CCC(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)N=N1 952882163 RXEMRYPGAVLSBQ-STQMWFEESA-N 302.378 1.612 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H]2CCc3nc(C)ncc3C2)N=N1 2325891449 HIBOHHBZBAQUOE-CYBMUJFWSA-N 311.389 1.972 30 50 DDEA N#Cc1cccc(OCCN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 363731558 SGLJPJZWJMOBRP-MSOLQXFVSA-N 315.417 1.468 30 50 DDEA C=C(C)CN1CCN(C(=O)[C@@H]2CC(=O)OC23CCCCC3)CC1 952979772 AIZQSBTZUCRAKG-HNNXBMFYSA-N 320.433 1.973 30 50 DDEA N#Cc1ccc(N2CCC[C@](O)(c3cnn[nH]3)C2)cc1Cl 793978565 JNSVZEAVFFBSKL-CQSZACIVSA-N 303.753 1.818 30 50 DDEA C=CCn1nc(C)c(C(=O)N2C[C@@H]3CCCN3C(=O)[C@H]2C)c1C 1772706978 SFSUQXMBCVGIKS-KGLIPLIRSA-N 316.405 1.521 30 50 DDEA C#CCCC1(CCC(=O)N2C[C@H](OC)C[C@]2(C)C(=O)O)N=N1 952876464 RPBUCNSBJCAOAH-BXUZGUMPSA-N 307.350 1.433 30 50 DDEA N#Cc1c(C2CC2)nn(CC(=O)NCCc2ccccc2)c1N 1875281289 ZSMUYVBEQODFBR-UHFFFAOYSA-N 309.373 1.573 30 50 DDEA C#CCCC1(CCC(=O)NCc2cc(O)n3nccc3n2)N=N1 1875381749 GPCKMAVPNIRSFJ-UHFFFAOYSA-N 312.333 1.407 30 50 DDEA CCN([C@H](C)C(=O)O)S(=O)(=O)c1ccc(Cl)cc1C#N 899564462 HZLUVQXXVCPXRB-MRVPVSSYSA-N 316.766 1.695 30 50 DDEA C=CCOC[C@H](O)CS(=O)(=O)Cc1ccc(Cl)cc1 2874933 KKWFBKLYOUOOQH-ZDUSSCGKSA-N 304.795 1.818 30 50 DDEA COc1cc(/C(O)=N/[C@H](c2nc(C)no2)C2CCOCC2)on1 328609868 GAAMZPQHILPSSM-LBPRGKRZSA-N 322.321 1.847 30 50 DDEA Cc1noc([C@H]2C[C@H](O)CN2c2snc(Cl)c2C#N)n1 328613569 SJCUTYRYWAKDOY-POYBYMJQSA-N 311.754 1.672 30 50 DDEA Cn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/C[C@@](C)(O)c1ccco1 328627972 NGFJQWJIGQGNHN-DJSGYFEHSA-N 319.361 1.955 30 50 DDEA CC#CC(=O)N[C@@H](CC(=O)OC)c1ccc(OC)cc1OC 241720919 QTIKOIFOHKPSFF-ZDUSSCGKSA-N 305.330 1.448 30 50 DDEA N#Cc1ccc(OCCN2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 284861923 QXSHPDNNIWRRCL-KURKYZTESA-N 316.401 1.799 30 50 DDEA CC1(C)OB(c2ccc(C#N)c(N3CCOCC3)c2)OC1(C)C 382566225 DZIOXQUWUAJDAC-UHFFFAOYSA-N 314.194 1.694 30 50 DDEA CN(C)[C@@H]1CCC[C@@H](Nc2ccc(S(N)(=O)=O)cc2C#N)C1 170652888 PSRNEVOBVFBCIE-CHWSQXEVSA-N 322.434 1.490 30 50 DDEA C=CCNC(=O)[C@@H](C)N1CCc2cc(OC)c(OC)cc2CC1 138736688 DOPXUTLBYKCNPO-CYBMUJFWSA-N 318.417 1.795 30 50 DDEA C=C[C@@](C)(CCOC)C(=O)NCCc1nc(C(C)C)nn1C 952994480 PRMRDIBEDXSMTD-INIZCTEOSA-N 308.426 1.826 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H]2CC[C@@H]3CC(=O)N[C@H]3C2)N=N1 1875382005 NHFUTIIVTNUFJJ-UPJWGTAASA-N 302.378 1.373 30 50 DDEA N#Cc1sccc1S(=O)(=O)N1CCCC[C@@H]1CC(=O)O 899562411 YXXSRJGRSVMNSP-SECBINFHSA-N 314.388 1.638 30 50 DDEA CC(C)N1C(=O)C(=O)N(CCCC2(C#N)CCOCC2)C1=O 225568908 SOKPXKATAUBCSL-UHFFFAOYSA-N 307.350 1.286 30 50 DDEA COCCN1CCC[C@H](CNC(=O)c2cc(F)cc(C#N)c2)C1 67840488 BMBWXEVAQZDVDS-CYBMUJFWSA-N 319.380 1.786 30 50 DDEA NC(=O)CSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1 2782388 JXYKTINGVLWOCR-DUEVJXGLSA-N 302.363 1.493 30 50 DDEA C[C@H]1CCCN(S(=O)(=O)CC2(C#N)CCCC2)[C@@H]1C(=O)O 424367337 LLUNDPAWZCMSRQ-RYUDHWBXSA-N 314.407 1.585 30 50 DDEA CCOC(=O)C(C(=O)OCC)=C(N)N/N=C/c1ccc(F)cc1 4653724 OGQMOEYJGMEOGD-GIJQJNRQSA-N 323.324 1.046 30 50 DDEA Cc1cccc(S(=O)(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)c1C#N 428191049 TUOZOGICBZYBJG-KBUPBQIOSA-N 316.382 1.441 30 50 DDEA CC1(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)COC1 601796198 IJTMDGFBHKXDBD-UHFFFAOYSA-N 317.364 1.819 30 50 DDEA N#Cc1ccc(C(=O)N[C@H](C2CCNCC2)[C@H]2C[C@H](O)C2)cc1 244691840 JJZVPSCVDVZVGU-BRWVUGGUSA-N 313.401 1.427 30 50 DDEA CN(C(=O)[C@@H]1CCN(c2cncc(C#N)n2)C1)c1ccccc1 575603615 KYQXIOHTBVXYMQ-CYBMUJFWSA-N 307.357 1.838 30 50 DDEA O=[N+]([O-])c1ccccc1/C=N/NS(=O)(=O)c1ccccc1 58698 PVMNFBBXCNFAJN-GXDHUFHOSA-N 305.315 1.907 30 50 DDEA CCn1cnnc1[C@@H]1CN(Cc2cc(C#N)cs2)CCO1 328644650 RXYPOECIEMVHAZ-ZDUSSCGKSA-N 303.391 1.805 30 50 DDEA CCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)O 262676646 RFWFMCDSWPKOAS-LLVKDONJSA-N 316.766 1.743 30 50 DDEA C=C[C@@H](O)C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 1148674929 ORHCDXZZPZVXRO-WDEREUQCSA-N 300.236 1.813 30 50 DDEA COC[C@@](C)(C#N)NC(=O)[C@H](C)Cn1ncc2ccccc21 252510536 ZNDASOXBHWBCJR-MLGOLLRUSA-N 300.362 1.717 30 50 DDEA C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NCC1(CC#N)CC1 376409894 AUQFZAOGQOTIMM-KGLIPLIRSA-N 306.410 1.185 30 50 DDEA C=CCn1c(SCCc2ncc[nH]2)nnc1C1CCNCC1 426470560 IHEONALORIJCGP-UHFFFAOYSA-N 318.450 1.989 30 50 DDEA COC(=O)[C@H](O)C1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 302233321 ZKYFLJNBVJGEHM-CQSZACIVSA-N 319.317 1.217 30 50 DDEA COC(=O)c1coc(S(=O)(=O)N(C)[C@](C)(C#N)C2CC2)c1 194817731 TVMJKPXANDIKRS-CYBMUJFWSA-N 312.347 1.379 30 50 DDEA C=CCNC(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 12571042 RURKMIBPKZXARL-CQSZACIVSA-N 321.808 1.969 30 50 DDEA C=CCNC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 13712954 VSWPRBOLUUSKCU-AWEZNQCLSA-N 310.419 1.842 30 50 DDEA COc1ccc(/C(O)=N/C[C@@H](O)C(=N)O)c(OCC(C)C)c1 328591288 NBODBXSQWVGSPE-GFCCVEGCSA-N 310.350 1.931 30 50 DDEA N#Cc1nc[nH]c1NC(=O)CCn1cnc2ccccc2c1=O 1875244880 YJSGDMGSKDJVNG-UHFFFAOYSA-N 308.301 1.020 30 50 DDEA C[C@H](O)c1cn([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 881338556 HURCOTOQEHFJFV-XHDPSFHLSA-N 311.345 1.571 30 50 DDEA N#Cc1cccc(Oc2ccnc(N3CCOC[C@H]3CO)n2)c1 895933658 LRXDCHKNCQKVKS-CYBMUJFWSA-N 312.329 1.338 30 50 DDEA C#CCCC1(CCNC(=O)c2cn(C[C@@H]3CCCO3)nn2)N=N1 2325891568 OOCRCANPPGWLJP-LBPRGKRZSA-N 316.365 1.153 30 50 DDEA C#CCCC1(CCNC(=O)c2cc([C@@H]3CCCN3)[nH]n2)N=N1 2325900888 MWSQADIURKUUBQ-NSHDSACASA-N 300.366 1.530 30 50 DDEA CNC(=O)c1ccc[n+](CC(=O)Nc2ccc(Cl)cc2)c1 1727014 RVKPLHFBDMGJQV-UHFFFAOYSA-O 304.757 1.626 30 50 DDEA C=CCN1CC[C@H](N(C)S(=O)(=O)c2cccs2)C1=O 281561986 OXHSBQJOZYOVRT-JTQLQIEISA-N 300.405 1.156 30 50 DDEA C=C[C@H](COC)NS(=O)(=O)c1cc(C(=O)O)c(C)cc1C 1120289909 KMTOFFCXPGMXLQ-LLVKDONJSA-N 313.375 1.481 30 50 DDEA C=C(C)[C@@H]1OCC[C@@H]1C(=O)NS(=O)(=O)CC1CCCCC1 1875284320 RACOWJGUFDAEGH-KBPBESRZSA-N 315.435 1.994 30 50 DDEA C#CCCC1(CCNC(=O)c2cc(O)nc3c2CNCC3)N=N1 2325900981 PIRQDNDSVNNXQD-UHFFFAOYSA-N 313.361 1.128 30 50 DDEA CCO[C@@H]1C[C@@H](/N=C(/NC)NCc2ccco2)[C@]12CCCO2 225351360 XGCLMUZMAUXQLK-IIAWOOMASA-N 307.394 1.671 30 50 DDEA CCOC(=O)CN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 253393281 NZCCXNDCZISNJT-CYBMUJFWSA-N 305.353 1.819 30 50 DDEA COC(=O)[C@@H]1CC12CCN(/C(O)=N/Cc1ccnc(C)n1)CC2 328593290 XJOIJSIQKSJGJP-ZDUSSCGKSA-N 318.377 1.474 30 50 DDEA N#Cc1cc(C#N)c(SCC(=O)NC2CCCCC2)nc1N 18227779 QPMDBABAIQPYOK-UHFFFAOYSA-N 315.402 1.948 30 50 DDEA C#CCN1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)CC1 161167652 JXILBIXOUKVLTQ-UHFFFAOYSA-N 305.466 1.522 30 50 DDEA Cn1cnc2c(c1=O)CCN(/C(O)=N/Cc1ccc(C#N)cc1)C2 328628594 NXYXTYZCJHGQSG-UHFFFAOYSA-N 323.356 1.124 30 50 DDEA N#Cc1ccc(N2CCN(Cc3cnns3)CC2)c(F)c1 332392541 MRQSQJHUVBINIC-UHFFFAOYSA-N 303.366 1.871 30 50 DDEA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc(F)c(C#N)c1 591665622 PGLQCDQNCIAAKZ-INIZCTEOSA-N 319.336 1.065 30 50 DDEA CN1C(=O)CCC[C@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 908046387 RDBLIKMKOODVRQ-ZDUSSCGKSA-N 305.765 1.839 30 50 DDEA CN1C[C@@H](CCN=c2[nH]c3c(cc2C#N)CSCC3)CC1=O 1875312851 CLNJEOKEOGKPFB-NSHDSACASA-N 316.430 1.445 30 50 DDEA C=C(CN1CCC(C(=O)N2CCc3ccccc32)CC1)C(=O)O 2325852097 SQMSWCTWXDGRRR-UHFFFAOYSA-N 314.385 1.929 30 50 DDEA C#CCCC1(CCC(=O)N2CC[C@H](Nc3ncccn3)C2)N=N1 2325892626 UOUANQJOMGYQSD-ZDUSSCGKSA-N 312.377 1.845 30 50 DDEA N#Cc1nccnc1N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 110682225 OQPAMLSYGFXFAJ-IAGOWNOFSA-N 321.384 1.438 30 50 DDEA Cc1cc(=NCc2ncc3c(n2)CCN(C)C3)[nH]c(C)c1C#N 2356165400 GVFBOWDHXLIHTQ-UHFFFAOYSA-N 308.389 1.382 30 50 DDEA C=C(C)CN(C)Cc1cnc(S(=O)(=O)CC)n1CCOC 55252441 NAHBMBFRLCSCKM-UHFFFAOYSA-N 315.439 1.331 30 50 DDEA CCCc1nc(C)c(C/N=C(/O)N2C[C@H]3[C@@H](C2)OCCN3C)o1 330273037 YOPCQAGYUNZJQY-GXTWGEPZSA-N 322.409 1.364 30 50 DDEA Cc1[nH]nc(NC(=O)[C@H]2COc3ccc(F)cc3C2)c1C#N 377197884 PIYXHFWLYFEQQT-SNVBAGLBSA-N 300.293 1.919 30 50 DDEA CCc1cnc(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)[nH]1 602135835 LQCDJNFMAYEOKM-UHFFFAOYSA-N 324.388 1.130 30 50 DDEA Cc1cc(N2CC[C@H](Sc3cc(C#N)ccn3)C2=O)n(C)n1 172917913 YTRYAYVJCLQQKA-LBPRGKRZSA-N 313.386 1.893 30 50 DDEA C=CCN1CC[C@@]2(CCC1=O)CN(C1CCOCC1)CCN2C 92004660 PBGGNLNAGFATLQ-SFHVURJKSA-N 321.465 1.350 30 50 DDEA C=CC[C@H](NS(=O)(=O)c1c(C)nn(C(C)C)c1C)C(=O)O 681557576 CBPXHLQXUCIRAH-NSHDSACASA-N 315.395 1.388 30 50 DDEA CNC(=O)[C@@]1(COC)CCCN1Cc1ccc(C#N)cc1F 591627810 HPRUWPPZCPVOEA-INIZCTEOSA-N 305.353 1.424 30 50 DDEA CCN1C[C@H](NS(=O)(=O)c2ccsc2C#N)C(C)(C)C1 952994217 XGVMMLNHEWUOJX-LBPRGKRZSA-N 313.448 1.628 30 50 DDEA O=C([C@@H]1CO1)N1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 1875372580 ISUHZQMAGUCBKV-CVEARBPZSA-N 320.433 1.805 30 50 DDEA COc1ccc(CC(=O)O/N=C(\N)c2ccccn2)cc1OC 4670360 IIRFTIZCQNCURL-UHFFFAOYSA-N 315.329 1.505 30 50 DDEA CCOc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)c1[N+](=O)[O-] 170006663 SFJVDAAYSKZRMJ-UHFFFAOYSA-N 308.143 1.996 30 50 DDEA C[C@@H]1CCS(=O)(=O)CCN1/C(O)=N/CC1CC(F)(F)C1 330309925 UOBJMWKPBANZJA-SECBINFHSA-N 310.366 1.455 30 50 DDEA CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)CC1(C#N)CC1 328616148 BKDVEGHRKFPTND-UHFFFAOYSA-N 308.407 1.285 30 50 DDEA COc1ccccc1/C=C/C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 376512051 GVCZXQPKEGKOTL-FSNWXROXSA-N 311.385 1.907 30 50 DDEA Cc1noc([C@H]2CN(C(=O)c3cc(C#N)oc3C)CCN2C)n1 284827993 KCZRYCDFRPATJJ-CYBMUJFWSA-N 315.333 1.280 30 50 DDEA C=CCO[C@@H]1[C@H](O)[C@H](OC)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]21 255963084 ASPVDBYGHHICFR-IZKTWJBDSA-N 322.357 1.404 30 50 DDEA in-vitro CNC(=O)[C@]1(COC)CCCN1Cc1ccc(C#N)cc1Cl 591647774 WQTLXUDSEHYZED-MRXNPFEDSA-N 321.808 1.939 30 50 DDEA Cc1nc([C@H]2CN(C)CC23CN(c2ccc(C#N)c(C)n2)C3)n[nH]1 1775957890 RHXKCCDKWLPEGZ-CQSZACIVSA-N 323.404 1.224 30 50 DDEA C=CCNC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1 4352457 KLRZQULYYCSQOY-UHFFFAOYSA-N 302.374 1.850 30 50 DDEA CC(C)[C@@H](C#N)OC(=O)c1cccc(-n2[nH]c(=O)ccc2=O)c1 121604092 NGOJSXFQVMMLJJ-CYBMUJFWSA-N 313.313 1.231 30 50 DDEA Cn1cc(N2CC[C@H](N=c3c(C#N)c[nH]c4ccccc34)C2)cn1 364427129 UPFQVMGYHDMILK-AWEZNQCLSA-N 318.384 1.953 30 50 DDEA COc1cccc(N2C[C@H](NCc3cc(C#N)n(C)c3)CC2=O)c1 365166089 WQDXQBXGWOVXHD-CQSZACIVSA-N 324.384 1.800 30 50 DDEA Cc1nc(C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)ccc1C#N 372441472 XIMKXCYTIQBQKM-KRWDZBQOSA-N 312.373 1.346 30 50 DDEA COc1ccc(OC)c2c1CN(C(=O)C1(C#N)CCC1)C[C@H]2O 126369531 GWPRBASXOLMVFG-GFCCVEGCSA-N 316.357 1.773 30 50 DDEA CCOC(=O)C(=O)Nc1cc(C#N)c(Cl)c(N)c1Cl 71770423 LLKGXBKFLAVFGD-UHFFFAOYSA-N 302.117 1.949 30 50 DDEA COc1ccc(C#N)cc1NC(=O)N1CCO[C@]2(CCOC2)C1 274371147 AZXSJLYKISVIEJ-MRXNPFEDSA-N 317.345 1.590 30 50 DDEA C=CCN(Cc1cccc(OC)c1)C(=O)CNC(=O)N(C)C 1506426526 HUKCGJJVCPYEDT-UHFFFAOYSA-N 305.378 1.481 30 50 DDEA CNC(=O)C[C@@]1(O)CCCN(Cc2ccc(C#N)c(F)c2)C1 591633609 UZYZYWGBIGLNBN-INIZCTEOSA-N 305.353 1.160 30 50 DDEA C#CCCC1(CCC(=O)N2CCN(C3CCOCC3)CC2)N=N1 952881564 NXWTXPUXRREGJG-UHFFFAOYSA-N 318.421 1.665 30 50 DDEA C#CCCC1(CCC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)N=N1 952881291 MBBRPZPZBHDKCD-ZFWWWQNUSA-N 305.378 1.796 30 50 DDEA C#CCOC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 20725638 LSMMOVRXHJANFH-MRXNPFEDSA-N 308.809 1.473 30 50 DDEA C#CCCC1(CCC(=O)NCC2CC(n3cncn3)C2)N=N1 2325891903 AQWAOCNLVNSQPI-UHFFFAOYSA-N 300.366 1.701 30 50 DDEA CCn1c([C@H]2CCCN(Cc3ccccc3C#N)C2)n[nH]c1=O 67783985 NKTIMNNYIPKMFI-HNNXBMFYSA-N 311.389 1.843 30 50 DDEA N#C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCOC1 230069982 UYRALXBILNGHOE-YDHLFZDLSA-N 313.357 1.084 30 50 DDEA C#C[C@H](NC(=O)N1CCC(N2CCCCC2=O)CC1)C(C)C 253427985 FVXKODOZTMUFMV-HNNXBMFYSA-N 305.422 1.831 30 50 DDEA CC[C@H](C#N)NS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 160814167 FOKZOBBJAWKRLB-MRVPVSSYSA-N 316.766 1.707 30 50 DDEA CC1(C)OB(c2cnc(NCc3ccco3)nc2)OC1(C)C 169746673 DWTQFBAKXPKFJY-UHFFFAOYSA-N 301.155 1.981 30 50 DDEA in-vitro CCn1cnnc1[C@H]1CN(c2cccc(F)c2C#N)CCO1 328616081 BIVWVGDHDIDDNC-CQSZACIVSA-N 301.325 1.887 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@@H](c3nncn3C)C2)N=N1 952882648 WKRUOGBQTLYIKW-CYBMUJFWSA-N 314.393 1.877 30 50 DDEA Cn1ccnc1[C@@H]1CCCN1S(=O)(=O)c1cccc(C#N)c1 952995101 CTWOBKYYDBIZDF-AWEZNQCLSA-N 316.386 1.818 30 50 DDEA N#Cc1cccc([C@H]2C[C@H](NS(=O)(=O)c3cn[nH]c3)C2)c1 1875335262 ZAZRSROUQFMULU-JOCQHMNTSA-N 302.359 1.506 30 50 DDEA COc1ccc(CCn2cc(C#N)c(O)nc2=O)cc1OC 168306 GGXPOPOJIYPYQT-UHFFFAOYSA-N 301.302 1.080 30 50 DDEA Cc1nccn1C[C@@H]1CCCN1CC(=O)NC1(C#N)CCC1 364148462 OWUZQFYYBVUEIC-AWEZNQCLSA-N 301.394 1.218 30 50 DDEA N#Cc1ccc(C(=O)N2CCC[C@](O)(C(F)(F)F)CC2)cn1 376404489 ZKDUOQYBKIPRIE-CYBMUJFWSA-N 313.279 1.873 30 50 DDEA Cc1ncc(C(=O)N2CCN(c3ncccc3C#N)CC2)c(C)n1 97553414 KCUWQPFCKZBRKO-UHFFFAOYSA-N 322.372 1.323 30 50 DDEA N#Cc1ccc(F)c(CN2CCC[C@](O)(c3cnn[nH]3)C2)c1 583617970 OOQGETFLNGOBGL-OAHLLOKOSA-N 301.325 1.299 30 50 DDEA CCc1nc(C#N)cc(N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)n1 585098821 FKIUFCCAHADNMZ-DZGCQCFKSA-N 310.405 2.467 30 50 DDEA Cc1c([C@H]2OCC[C@@H]2NC(=O)c2ccc(C#N)cc2)cnn1C 328612387 OPFMJHYEPBEBQG-JKSUJKDBSA-N 310.357 1.860 30 50 DDEA CC(C)(C)n1cc(N=C(O)N2CC[C@H]3OCC(O)=N[C@H]3C2)cn1 328588418 OUDIJAMDCOZKCH-NWDGAFQWSA-N 321.381 1.613 30 50 DDEA C[C@@H](NC(=O)c1ccc(C#N)nc1)c1nc(-c2ccccn2)no1 223201018 NWXQXGSLCRNMSU-SNVBAGLBSA-N 320.312 1.889 30 50 DDEA C=CCn1c(-c2cnn[nH]2)nnc1N1Cc2ccc(OC)cc2C1 1351777359 CKBYZWQVKPGNDO-UHFFFAOYSA-N 323.360 1.778 30 50 DDEA Cc1ccc(S(=O)(=O)O[C@H]2[C@@H]3[C@@H](CS3(=O)=O)[C@H]2C)cc1 17003951 RVHXYNICLHTVQW-MGAJPHDKSA-N 316.400 1.132 30 50 DDEA Cc1c(C#N)c(N2CCS(=O)(=O)CC2)nc2ccccc12 581984133 JZBQIDYHLLIPPU-UHFFFAOYSA-N 301.371 1.650 30 50 DDEA COC[C@@]1(C(N)=O)CCCN1Cc1ccc(Cl)cc1C#N 591647075 NYEDQSVAOUHGDE-OAHLLOKOSA-N 307.781 1.678 30 50 DDEA CC(C)C1=NO[C@@H](CNC(=O)c2ccc(C#CC(C)(C)O)o2)C1 65384133 XIUHRJCYQKYFEA-CYBMUJFWSA-N 318.373 1.933 30 50 DDEA Cc1cc(=O)c(C(=O)Nc2ccccc2-n2cnc(C#N)n2)c[nH]1 426813960 BABDGYUEVXVEIG-UHFFFAOYSA-N 320.312 1.388 30 50 DDEA OCC1(/N=C(/O)[C@@H]2CCn3cncc3C2)Cc2ccccc2C1 328600976 DSAWRQDGVUTHAV-CYBMUJFWSA-N 311.385 1.932 30 50 DDEA CCC#CCN1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 91915016 NCBQROUSLKKVQW-DZGCQCFKSA-N 303.431 1.979 30 50 DDEA COCCN1C[C@@H]2CC[C@H]1CN(c1ccnc(OC)c1C#N)C2 247814715 APELMQKCZIBVIK-KBPBESRZSA-N 316.405 1.509 30 50 DDEA C[C@H](CC(N)=O)N(C)S(=O)(=O)c1ccc(C#N)cc1Cl 952975493 YVEXDMLAFLNNAF-MRVPVSSYSA-N 315.782 1.096 30 50 DDEA C#CCCC1(CCNC(=O)C[C@@H](N)c2ccc(OC)nc2)N=N1 2325901218 YJFOVKSRISIEGS-CYBMUJFWSA-N 315.377 1.562 30 50 DDEA C=CCn1nnnc1SCC(=O)Nc1ccc(OCC)cc1 8021490 PQXKXIFMSHRCJI-UHFFFAOYSA-N 319.390 1.989 30 50 DDEA Cc1cc(C)n(/N=C\c2cc3ccccc3[nH]2)c(=O)c1C(N)=O 22588886 ZCFIZGVCVDEOAS-OCKHKDLRSA-N 308.341 1.928 30 50 DDEA N#Cc1cnc(N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cn1 128150560 QNRIZDVRVLHDCF-BXUZGUMPSA-N 302.284 1.939 30 50 DDEA Cc1ccc(O[C@H]2CCN(S(=O)(=O)CC3(C#N)CC3)C2)cn1 328627517 MUQTZKYPHPTQJQ-AWEZNQCLSA-N 321.402 1.477 30 50 DDEA COc1ccc(C#N)cc1CN1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 331871751 CTDXYILJUSWHMA-GVDBMIGSSA-N 316.401 1.929 30 50 DDEA CO[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1c1cn(C)nn1 888078222 AKNFOWABTBRCQP-XJKSGUPXSA-N 315.352 1.440 30 50 DDEA N#Cc1c(Br)cccc1N1CCC(O)(CN)CC1 396958982 ANDHLZRMXPGQFH-UHFFFAOYSA-N 310.195 1.611 30 50 DDEA CC1(C)OB(c2cccc(N3CCOCC3=O)c2)OC1(C)C 203825178 IACUWEBONPTRHL-UHFFFAOYSA-N 303.167 1.349 30 50 DDEA C[C@H](O)[C@@H](/N=C(/O)C1CC1)C(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 329928563 MOKIOUKBWLJESW-XXSPCDMZSA-N 310.394 1.128 30 50 DDEA N#Cc1cc(F)cc(OCC(=O)N2CCOC[C@H]2C2CC2)c1 367936181 VHHWNEPIEOXAQH-HNNXBMFYSA-N 304.321 1.714 30 50 DDEA C[C@H](Cn1cccn1)/N=C(/O)N1CCC2(CC1)CN=C(O)C2 329829029 SASZTIQKEOBINY-GFCCVEGCSA-N 305.382 1.628 30 50 DDEA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2cn3ccccc3c2C#N)C1 284631229 NXFGBOLSWMTAML-CJNGLKHVSA-N 322.372 1.891 30 50 DDEA N#Cc1ccccc1S(=O)(=O)N1CCC[C@H](c2ccn[nH]2)C1 192717965 MQLKSIGCFFNEKT-ZDUSSCGKSA-N 316.386 1.850 30 50 DDEA C#CCCC1(CCC(=O)N(CC(=O)O)Cc2cnn(C)c2)N=N1 952876306 LSBKDHDQCDUTBK-UHFFFAOYSA-N 317.349 1.189 30 50 DDEA O=C(c1ccc2ccccc2c1)N1CCCN(C(=O)[C@H]2CO2)CC1 1875373093 TXTQPKCXPIZWPT-QGZVFWFLSA-N 324.380 1.913 30 50 DDEA COC[C@](C)(C#N)NC(=O)[C@@H](C)Cn1ncc2ccccc21 252510535 ZNDASOXBHWBCJR-LRDDRELGSA-N 300.362 1.717 30 50 DDEA CN1CCO[C@@H](CN(CC2CC2)/C(O)=N/CC(C)(C)C#N)C1 328656168 ZBLLXYCNSQELQM-CQSZACIVSA-N 308.426 1.493 30 50 DDEA O=C(C/N=C(/O)c1ccc(F)cc1F)N1CC(=O)N(C2CC2)C1 329866431 UXXCQRGJIAPQDI-UHFFFAOYSA-N 323.299 1.060 30 50 DDEA N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@](O)(C(N)=O)C1 284557719 HUNQVQYQNGHBMO-ZDUSSCGKSA-N 313.279 1.394 30 50 DDEA Cc1nnc([C@H]2C[C@@H](O)CN2Cc2cc(F)ccc2C#N)o1 1775957706 JMYFQOMXVYOZDL-ZIAGYGMSSA-N 302.309 1.697 30 50 DDEA C#CCN(CC=C)C(=O)[C@H]1CCC(=O)N(Cc2ccccn2)C1 12434772 DGMMXTFPVLQKGT-HNNXBMFYSA-N 311.385 1.468 30 50 DDEA C=CCN(Cc1cccc(OCC)c1)C(=O)Cn1cncn1 55073035 HQCYNURZVBHTHB-UHFFFAOYSA-N 300.362 1.892 30 50 DDEA CCOP(=O)(OCC)C(=NOC(=O)OCC(C)C)C(N)=O 252678577 FPBKXXYQOSFBRO-UHFFFAOYSA-N 324.270 1.861 30 50 DDEA CC1(C)OB(c2cc(C(=O)N3CCOCC3)cs2)OC1(C)C 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300.380 1.758 30 50 DDEA C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 127510956 AEOHNCHTMYWSMN-NWDGAFQWSA-N 300.362 1.609 30 50 DDEA CN(c1ccn(C)n1)[C@H]1CCN(c2sccc2C#N)C1=O 299394190 RSUPTVZOTLTPTG-NSHDSACASA-N 301.375 1.595 30 50 DDEA N#Cc1ccc(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1F 299746095 VGIMBLKFOZTBFW-GHMZBOCLSA-N 315.270 1.793 30 50 DDEA COc1ccc(O[C@H](C)C(=O)O/N=C(\N)c2ccncc2)cc1 5014170 USLXHDXHCHNCAC-LLVKDONJSA-N 315.329 1.721 30 50 DDEA C/C(=N\N=C1\NC(=O)[C@H](CC(=O)O)S1)c1ccc(C)cc1 1058837 IVSAGKFBYKIPEQ-UJFYRASASA-N 305.359 1.781 30 50 DDEA C#CCCC1(CCC(=O)N2CCC(=O)N3CCCC[C@@H]32)N=N1 2325892961 WZUODQBOKQCLJX-ZDUSSCGKSA-N 302.378 1.913 30 50 DDEA CN1CCO[C@@H](CN(CC2CC2)C(=O)c2sccc2C#N)C1 328628016 GUEZBSBXIPAJMK-CQSZACIVSA-N 319.430 1.803 30 50 DDEA Cn1cc(CN2C[C@@H](F)C[C@H]2CNc2ccc(C#N)cn2)cn1 328635280 NFLMHUWPDUTVPJ-GJZGRUSLSA-N 314.368 1.711 30 50 DDEA C[C@]12CCN(C/C(O)=N/CC(=O)N3CCCC3)C[C@@H]1C2(F)F 330257230 QOPIAGOJZLVOKC-FZMZJTMJSA-N 315.364 1.542 30 50 DDEA Cc1ccc(/C(O)=N/[C@H](CO)CN2CCOCC2)c(Cl)c1 331235122 DQYCIDZXMXBMDX-LBPRGKRZSA-N 312.797 1.646 30 50 DDEA N#CCc1cccc(S(=O)(=O)N[C@@]23CC[C@@H](CNC2)C3)c1 1875319853 VQNLKERBKIHMGZ-UKRRQHHQSA-N 305.403 1.173 30 50 DDEA CC(C)C/N=C(/O)N1CCC[C@@H](C(=O)N(C)Cc2cc[nH]n2)C1 330909835 PCEFLLKRKDSMIU-CYBMUJFWSA-N 321.425 1.650 30 50 DDEA C=C(C)CNC(=O)[C@H]1CCC(=O)N(CC)[C@@H]1c1cnn(C)c1 330992372 SQAHCHGXYWUUDM-DZGCQCFKSA-N 304.394 1.412 30 50 DDEA CN1CCC(CC/N=C(/O)c2cn(C)nc2[C@@H]2CCOC2)CC1 328639791 XCNMXLOATCMWBS-CQSZACIVSA-N 320.437 1.961 30 50 DDEA C[C@H](CO)N1CCCN(C(=O)c2cccc(F)c2C#N)CC1 364199203 ACZHTYNMELTDAD-GFCCVEGCSA-N 305.353 1.226 30 50 DDEA C[C@@H]1[C@@H](c2ccccc2)C(C#N)(C#N)[C@@]2(C#N)C(=O)N[C@@]1(O)[C@@H]2C 239274967 AZXRGFZUTBOBIM-WFPSTGMVSA-N 320.352 1.418 30 50 DDEA N#Cc1ccc(N2CC[C@@H](C(=O)N3CCCOC3)C2)c(F)c1 296997628 GPENYMWQGSGKOR-CYBMUJFWSA-N 303.337 1.730 30 50 DDEA N#Cc1ccc(F)c(CN2CCC[C@@](O)(c3cnn[nH]3)C2)c1 583617969 OOQGETFLNGOBGL-HNNXBMFYSA-N 301.325 1.299 30 50 DDEA C=CCNCc1ccc(OC[C@H](O)CN2CCCC2)c(OC)c1 11956056 SKWVFKHXWDBMHJ-MRXNPFEDSA-N 320.433 1.806 30 50 DDEA c1ccc2oc(N=C3NCN(C[C@H]4CCCO4)CN3)nc2c1 17014590 VWNLWDZATRYSQG-LLVKDONJSA-N 301.350 1.404 30 50 DDEA Cc1nnccc1N=C(O)N1CCN(CC(F)(F)F)[C@@H](C)C1 330140089 WRXAAXDSFVOWAF-VIFPVBQESA-N 317.315 1.899 30 50 DDEA C=C(C)CN(CC)c1nnnn1C[C@@H]1CC[C@]2(CO[C@H](C)C2)O1 952880815 XNHHJABFFMSUBS-YCPHGPKFSA-N 321.425 1.802 30 50 DDEA C#C[C@](C)(CC)OC[C@@H](O)CN1CCN(c2ccccc2)CC1 12421423 CLJJTCLXWKTXFW-RBUKOAKNSA-N 316.445 1.988 30 50 DDEA C[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C[C@H]1n1ccnc1 247338783 GPWRLWUBMIJRNT-UNEWFSDZSA-N 315.421 1.574 30 50 DDEA CC(C)(C)OC(=O)N1CCC(C#N)(NC(=O)C(F)(F)F)CC1 116851171 DNISAVDKJKYXOM-UHFFFAOYSA-N 321.299 1.958 30 50 DDEA Cn1nccc1CN1C[C@@H](F)C[C@H]1C/N=C(/O)Cc1cc[nH]n1 328646486 SOPWCUBYBGOATJ-FZMZJTMJSA-N 320.372 1.255 30 50 DDEA C=C(C)COCCNS(=O)(=O)c1ccc(OC)cc1F 359992261 JKUTZCHWQXXIFF-UHFFFAOYSA-N 303.355 1.705 30 50 DDEA C=CCn1c(SCc2nonc2C)nnc1C1CCNCC1 426388378 ICMVSAXULAMUHJ-UHFFFAOYSA-N 320.422 1.915 30 50 DDEA COCC[C@@]1(C(=O)O)CCCN(Cc2cc(C#N)n(C)c2)C1 91794392 NJDSLPLUNOFCQA-INIZCTEOSA-N 305.378 1.600 30 50 DDEA CNC(=O)[C@]12CCOC[C@H]1CN(c1ncc(C#N)cc1Cl)C2 952852366 BTDYRKVGUUMWSJ-ABAIWWIYSA-N 320.780 1.196 30 50 DDEA CO[C@@H]1C[C@H](CNc2cc(C#N)cc(C)n2)N(c2ccncn2)C1 952887289 MRGDGHPIVUXVJL-HUUCEWRRSA-N 324.388 1.758 30 50 DDEA C=CCn1cc(C(=O)N2CC(C)(C)[C@H]2c2cnn(C)c2)nn1 952887346 OQGJKPSZDOAHCA-CYBMUJFWSA-N 300.366 1.421 30 50 DDEA N#CCc1ccccc1CC(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 887005333 DROFMBXVRDKCTO-HZPDHXFCSA-N 314.385 1.341 30 50 DDEA COCC1(C(=O)N2CC[C@@H](C#N)C(F)(F)C2)CCOCC1 888102446 AAJGPLYLCCELPA-NSHDSACASA-N 302.321 1.437 30 50 DDEA Cc1ncc2c(n1)[C@]1(CCCN(c3nccnc3C#N)C1)CC2 2356138728 GJJJNKZPIAWBKX-QGZVFWFLSA-N 306.373 1.931 30 50 DDEA C#CCOc1ccc(/C=C2/C(=O)N(C)C(=S)N2C)cc1OC 4894407 IEPPDQQRGLPPLD-XFXZXTDPSA-N 316.382 1.737 30 50 DDEA Cc1ccc2c(c1)CC[C@H](/C(O)=N/CCc1nc(N)no1)O2 330012655 KXOBGCFUWCTLGL-GFCCVEGCSA-N 302.334 1.853 30 50 DDEA COCc1nccc([C@@H]2CCCN(c3nccnc3C#N)C2)n1 363533923 DFYSNZCMCVGSJD-GFCCVEGCSA-N 310.361 1.669 30 50 DDEA COC[C@H]1CCCCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 240744096 HULZPPIAIXDEBF-OLZOCXBDSA-N 303.428 1.071 30 50 DDEA CC(C)(O)C#Cc1ccc(CN2CCN3C(=O)OC[C@H]3C2)s1 828322829 JYYYWLAZMSAHRR-GFCCVEGCSA-N 320.414 1.507 30 50 DDEA C[C@@H](C#N)CN(C)c1ncnc(N(C)C[C@@H](C)C#N)c1[N+](=O)[O-] 585093051 ZRZVVHYGARCILO-QWRGUYRKSA-N 317.353 1.577 30 50 DDEA CCN1C[C@H](COS(C)(=O)=O)Oc2ccc(Cl)cc21 575444793 PUKVXCSYPAKVIF-SNVBAGLBSA-N 305.783 1.904 30 50 DDEA C[C@H](/N=C(/O)N1CCO[C@@H](c2nncn2C)C1)c1ccccc1 328615580 AXMLYBNKSHXGCD-GXTWGEPZSA-N 315.377 1.864 30 50 DDEA Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 858008029 HHQWXULHAUUFFA-SMDDNHRTSA-N 313.361 1.518 30 50 DDEA COc1ccc2cc(C(=O)ON3C(=O)CCC3=O)c(=O)oc2c1 391175 JMQAALOXLOSYCQ-UHFFFAOYSA-N 317.253 1.022 30 50 DDEA C=CCn1c(=O)c(C(=O)NCCNCC)c(O)c2ccccc21 100602542 IAMZEODAJJIGDP-UHFFFAOYSA-N 315.373 1.232 30 50 DDEA Cn1cnnc1[C@@H]1CN(Cc2cc(C#N)ccc2F)CCO1 328655007 XXVAQQUQROQPNJ-AWEZNQCLSA-N 301.325 1.399 30 50 DDEA C#CCNC(=O)[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)N=C1C 128560621 FJEXNVWPTUVMRX-GFCCVEGCSA-N 323.274 1.794 30 50 DDEA N#Cc1ccccc1/C=C/C(=O)N1CCOC[C@@H]1c1ncon1 374921088 XJNOHGVPFNSKBH-VBROQKIQSA-N 310.313 1.555 30 50 DDEA COC[C@@]1(CN=c2cc[nH]cc2C#N)OCCc2ccccc21 378061670 SBCGJJZFZMXCET-GOSISDBHSA-N 309.369 1.902 30 50 DDEA COc1ccc(NC(=S)N[C@H]2CC[S@@+](=O)(O)C2)cc1 334159487 DYBNBJMUUNKXSH-JTQLQIEISA-P 301.413 1.726 30 50 DDEA CC#CC(=O)N(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 1875363231 JPICOHMSHUUUNZ-ZDUSSCGKSA-N 302.374 1.764 30 50 DDEA N#Cc1cccc(CC(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)c1 887012003 DIZUJCLITMVCHU-HUUCEWRRSA-N 300.358 1.147 30 50 DDEA Cc1c(Cl)cnc(N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)c1C#N 886088646 MFQZAIYURGQQIY-YNEHKIRRSA-N 303.753 1.898 30 50 DDEA C=C(Cl)COC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 225664081 FHNLKSHAEGAAJP-HNNXBMFYSA-N 309.749 1.689 30 50 DDEA CN(C)c1ccnc(N=C(O)N2CCC[C@@H]2CN2CCCC2)n1 328587821 JDSWSHWLKPTIKB-CYBMUJFWSA-N 318.425 1.648 30 50 DDEA Cn1nccc1[C@@H]1OCC[C@H]1C(O)=Nc1nnc2n1CCCC2 328619897 GJMCMJAYHNTMDQ-ZWNOBZJWSA-N 316.365 1.714 30 50 DDEA C=CCN(C)C[C@]1(O)CCCN(Cc2cccc(OC)c2)C1=O 67724432 QJXBWBFUYZNRJP-GOSISDBHSA-N 318.417 1.667 30 50 DDEA O/C(=N/[C@@H]1CCc2nc[nH]c2C1)[C@@H]1COCCN1CC(F)F 329395393 VPAWGERQCVVEMY-SKDRFNHKSA-N 314.336 1.189 30 50 DDEA Cc1noc(C)c1/C(O)=N/C(C)(C)c1noc(CN(C)C)n1 330476406 HMGZYXHJYXJAFQ-UHFFFAOYSA-N 307.354 1.976 30 50 DDEA Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H](O)C2(CC2)C1 368750091 LZUSBDIEKCWIPL-OAHLLOKOSA-N 316.405 1.330 30 50 DDEA CC(C)(C)c1cn(CCOCCNC(=O)C#CC2CC2)nn1 1875323998 XXRPMHKTMNVOLH-UHFFFAOYSA-N 304.394 1.122 30 50 DDEA C#CCOc1ccccc1CN(C=O)CC1CCN(C)CC1 1875326023 YDPGEFGTDRBJPS-UHFFFAOYSA-N 300.402 1.999 30 50 DDEA CO[C@@H]1CCN([C@H]2CCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)C1 1775959491 BVEGREOUJXROGY-NFAWXSAZSA-N 302.378 1.258 30 50 DDEA C=CC[C@@H](C(=O)N1CC[C@@H](Cc2nn[nH]n2)C1)c1ccccc1 1775987770 FMIWJUVKDIYKGQ-DZGCQCFKSA-N 311.389 1.951 30 50 DDEA Cc1nsc(N2CCC[C@H](CNS(C)(=O)=O)C2)c1C#N 239591346 BAZAVVIYQITINP-SNVBAGLBSA-N 314.436 1.089 30 50 DDEA Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCCN1c1cccnn1 372681118 ONORTHPCHBGUHZ-ZDUSSCGKSA-N 310.361 1.086 30 50 DDEA Cc1ccccc1C/N=C(/O)N1CCO[C@@H](c2nncn2C)C1 328616583 BUFQTHKWYHAIGS-CQSZACIVSA-N 315.377 1.611 30 50 DDEA CN1CCN(Cc2ccc(-c3ccccc3C#N)o2)C[C@@H]1CO 215199302 LSCJZXUIMMTNII-OAHLLOKOSA-N 311.385 1.927 30 50 DDEA Cc1nc2ncnn2c(O)c1CCOC(=O)c1ccc(C#N)cc1 143344870 IOFNKJNABWWIJV-UHFFFAOYSA-N 323.312 1.410 30 50 DDEA CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cccc(C#N)c1)C2 95368469 AGADIBNFDLETJV-HZPDHXFCSA-N 319.430 1.414 30 50 DDEA CCCn1ncnc1[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 534587469 SLOKPBBJNLZJFA-LLVKDONJSA-N 319.390 1.599 30 50 DDEA CNS(=O)(=O)[C@H]1CCN(c2ncc(Cl)c(C)c2C#N)C1 363668284 DAAAZRXZVBBKAS-VIFPVBQESA-N 314.798 1.043 30 50 DDEA 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N#Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)cn1 218858436 JVLZDVQQBYZDAI-LBPRGKRZSA-N 312.373 1.474 30 50 DDEA N#Cc1cccc(CNC(=O)c2cc(N3CCOCC3)ccn2)c1 129380066 WHOBAUGNYIGGNW-UHFFFAOYSA-N 322.368 1.720 30 50 DDEA Cc1nc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)ccc1C#N 292031197 UKSGMKAVCQOMCI-CYBMUJFWSA-N 322.434 1.370 30 50 DDEA Cc1c([C@H]2OCC[C@@H]2/N=C(/O)c2ccc(O)nc2)cnn1C 328612353 OMDMKYANZJDDAH-GXTWGEPZSA-N 302.334 1.664 30 50 DDEA CN(CC(C)(C)C#N)S(=O)(=O)c1cccc(CC(=O)O)c1 871967108 AQMCLZFDLWFWOP-UHFFFAOYSA-N 310.375 1.484 30 50 DDEA N#C[C@H]1CCC[C@@H]1S(=O)(=O)NCc1ccc2c(c1)OCO2 1775989582 QAZUDQWZGWLYKQ-RISCZKNCSA-N 308.359 1.527 30 50 DDEA CC(C)(C)OC(=O)N1CC[C@H](COS(C)(=O)=O)[C@@H](F)C1 71624249 DVADQFSVWWQVQN-ZJUUUORDSA-N 311.375 1.558 30 50 DDEA C=CCN1C[C@@]2(C(=O)O)CN(C(=O)C3CCCCC3)C[C@H]2C1=O 72409721 VOPOVMOVIRHGDW-SUMWQHHRSA-N 320.389 1.124 30 50 DDEA N#Cc1cccnc1N1CCN(C(=O)CCCc2cn[nH]c2)CC1 97657261 DRSUOSQNOLEEGN-UHFFFAOYSA-N 324.388 1.348 30 50 DDEA C=CCNC(=O)CN1CCC([C@@H](O)Cc2ccccc2)CC1 244712740 KWCXTQYDUBTQHY-KRWDZBQOSA-N 302.418 1.604 30 50 DDEA C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 168980812 FKFADZGBTGFWPP-KOLCDFICSA-N 313.810 1.712 30 50 DDEA COC(=O)C1=C(C)N/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C1=O 4094632 VGUMXUHPVBISBU-UXBLZVDNSA-N 318.285 1.564 30 50 DDEA C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)O)S1)c1ccc(C)cc1 4480952 IVSAGKFBYKIPEQ-LKBVRNOZSA-N 305.359 1.781 30 50 DDEA C=C[C@H](O)C(=O)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 952891950 DFMVQKJXZWFWMY-LBPRGKRZSA-N 317.320 1.523 30 50 DDEA C#C[C@](C)(CC)NC(=O)Cn1nnc(-c2ccccc2F)n1 4717398 AGVIJIGIHNMPKY-OAHLLOKOSA-N 301.325 1.397 30 50 DDEA C=CCN(C)C[C@@]1(O)CCCN(Cc2cccc(OC)c2)C1=O 67724436 QJXBWBFUYZNRJP-SFHVURJKSA-N 318.417 1.667 30 50 DDEA CCN1CCOC[C@@H]1/C(O)=N/[C@H]1CN(c2ccc(F)cc2)C1=O 329334651 ODTLSBPIPCCJGV-UONOGXRCSA-N 321.352 1.218 30 50 DDEA CC(C)n1ncc2c1C[C@H](N/C(O)=N/CC(F)(F)CO)CC2 328589045 ZPJOEFZNVCDIPB-LLVKDONJSA-N 316.352 1.453 30 50 DDEA N#Cc1cnc(N2CCC[C@@H]2c2nc(C(N)=O)no2)c(Cl)c1 328616187 BLCAXPKIFDWXNR-SECBINFHSA-N 318.724 1.430 30 50 DDEA C=C(C)CN1CCC(/N=C(/O)N[C@@H]2CCC[C@@H]2C(=O)NC)CC1 330578928 PMBNMBNNQGQDGJ-LSDHHAIUSA-N 322.453 1.445 30 50 DDEA C=CCN1C[C@H](C(=O)N2CCC(c3cc[nH]n3)CC2)CCC1=O 218841560 GDXJAKMRVKPPDN-CQSZACIVSA-N 316.405 1.540 30 50 DDEA C=CCNC(=O)[C@@H](C)N1CC[C@@H](CNc2cccc(C)n2)C1 222203892 FPKVDLVFDDUPPD-CABCVRRESA-N 302.422 1.815 30 50 DDEA Cn1cncc1CN[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 192242275 XUAMZAIWOZEBOA-INIZCTEOSA-N 309.373 1.182 30 50 DDEA N#Cc1cc(F)ccc1CN1CCC[C@@H]1c1nc(C(N)=O)no1 328641170 QKKKNZNVCRLPQQ-GFCCVEGCSA-N 315.308 1.516 30 50 DDEA Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)[C@H]3CO3)no2)cn1 1875373269 XHQUMDYRTXEJGX-VXGBXAGGSA-N 317.349 1.313 30 50 DDEA CC(=O)N1C[C@@H](N=c2cc[nH]c(C#N)c2)CC[C@H]1C(F)(F)F 886027787 SVBBTOSWXOEARU-AAEUAGOBSA-N 312.295 1.729 30 50 DDEA N#Cc1c(F)cccc1C(=O)N1CCO[C@H](c2nc[nH]n2)C1 2325781634 QDRDYDYNGDTEPK-LBPRGKRZSA-N 301.281 1.029 30 50 DDEA C#CCCC1(CCNC(=O)c2cnc3ncnc(O)c3c2)N=N1 2325893725 WSUIZSHAUVPZLQ-UHFFFAOYSA-N 310.317 1.426 30 50 DDEA C#CCOc1cccc(-c2noc(CCN3CCCC3=O)n2)c1 225592652 CFAOPXRNTYTWGU-UHFFFAOYSA-N 311.341 1.914 30 50 DDEA N#Cc1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=N 100627319 SYCJWAPVTDOAAJ-GFCCVEGCSA-N 321.340 1.179 30 50 DDEA C=CCN(C)C[C@@]1(O)CCCN(Cc2cccc(C)c2)C1=O 67966397 VJYNHUVHJJBVDR-SFHVURJKSA-N 302.418 1.966 30 50 DDEA CCOC(CN(CC)CC(=O)N(CCC#N)CCC#N)OCC 328597467 HOZCPVJVVHUZLE-UHFFFAOYSA-N 324.425 1.363 30 50 DDEA CC(C)n1cc(Cn2ccc3nc(O)c(C#N)cc3c2=O)cn1 71279018 PGPJOOHKXYTMDE-UHFFFAOYSA-N 309.329 1.799 30 50 DDEA CC#CC(=O)N(Cc1cc(OC)ccc1OC)c1cnn(C)c1 408515909 MLVVFGLZUMPNAF-UHFFFAOYSA-N 313.357 1.994 30 50 DDEA C=CCOc1ccccc1C(=O)NC[C@@]1(OCCO)CCOC1 585113613 RUMZOPFIYZCZPU-KRWDZBQOSA-N 321.373 1.149 30 50 DDEA CC(=O)N1CCO[C@H]2CCN(Cc3cc(F)ccc3C#N)C[C@H]21 886055049 JYORYUSOIPDNAT-SJORKVTESA-N 317.364 1.519 30 50 DDEA C[C@H]1CCCN(S(=O)(=O)CC2(C#N)CCCC2)[C@H]1C(=O)O 424367336 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30 50 DDEA CC(C)(C)c1ccc(C(=O)NC/C(O)=N/[C@@H]2COC(=O)C2)cc1 328592118 ARDRTPPMDQZDBY-ZDUSSCGKSA-N 318.373 1.986 30 50 DDEA CN1CC[C@@H](N(C)CCC(=O)NCc2ccc(C#N)cc2)C1 426361302 PSKXWNWMTGMGMN-MRXNPFEDSA-N 300.406 1.200 30 50 DDEA CC(C)(O)C#Cc1ccc(C(=O)NCc2cccc(CO)c2)o1 670442980 AURPDQHCMZSQLM-UHFFFAOYSA-N 313.353 1.824 30 50 DDEA Cc1cc(C#N)cc(N(C(=O)COC[C@@H]2CCCO2)C2CC2)n1 585125295 MSOLDABTDICKEN-HNNXBMFYSA-N 315.373 1.953 30 50 DDEA Cc1cc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)c2ccnnc2)on1 328623309 BWKPRRNENXNANC-STQMWFEESA-N 319.340 1.690 30 50 DDEA OC[C@@H](CN1CCCCC1)/N=C(/O)CCOC1CCOCC1 328591658 HLJZERTZGGPGGI-CQSZACIVSA-N 314.426 1.375 30 50 DDEA C#CCCC1(CCC(=O)N2CCN3CC(F)(F)C[C@H]3C2)N=N1 952883019 VXUJFZVBFQWRIC-LBPRGKRZSA-N 310.348 1.894 30 50 DDEA CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(=O)O1 3543679 RIOIIMFXKJEUOW-GBXSZLQWSA-N 301.254 1.823 30 50 DDEA COC[C@](C)(C#N)NC(=O)[C@H](C)Cn1ncc2ccccc21 252510537 ZNDASOXBHWBCJR-WBMJQRKESA-N 300.362 1.717 30 50 DDEA Cc1cc(NCC/N=C(/O)Cn2c(C)csc2=O)n(C)n1 328591427 NXQXGJXASOTNNJ-UHFFFAOYSA-N 309.395 1.329 30 50 DDEA Cc1noc([C@H](N/C(O)=N/C[C@H]2CCCO2)C2CCOCC2)n1 328629705 PCBAHLSCHSBOEY-CHWSQXEVSA-N 324.381 1.528 30 50 DDEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)c2cnn(C)c2N)cn1 328620172 GTTUHUWIGXGDKZ-QWHCGFSZSA-N 318.381 1.444 30 50 DDEA C=CCOc1cccc(C(=O)N2CC[C@@H](O)C[C@H]2C(=O)O)c1 209859761 RMNBFWYCCIIXRX-OCCSQVGLSA-N 305.330 1.302 30 50 DDEA N#Cc1sccc1S(=O)(=O)N1CCC[C@@H](C(=O)O)C1 593262119 ARLGQRHAYDSMCJ-MRVPVSSYSA-N 300.361 1.105 30 50 DDEA Cc1noc([C@H](NC(=O)c2cc(C#N)c[nH]2)C2CCOCC2)n1 328610443 HWVYHLKLDNXRSR-CYBMUJFWSA-N 315.333 1.476 30 50 DDEA COCCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCO[C@@H]1C 252491038 LIWOJHAUNGKFCY-IAQYHMDHSA-N 306.337 1.963 30 50 DDEA CC(C)CCN(CCC#N)C(=O)CN1CCCC[C@@H](O)C1=O 591703308 NCGFWZWWGNSKFP-CQSZACIVSA-N 309.410 1.148 30 50 DDEA Cc1cc(C#N)ccc1C(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 887010039 ZMNJKJVPCZLDBY-HUUCEWRRSA-N 300.358 1.527 30 50 DDEA COC(=O)[C@@]12COC[C@@H]1CN(c1nc(C(C)C)ccc1C#N)C2 2356137520 OIKKGSUWEKELHI-GUYCJALGSA-N 315.373 1.702 30 50 DDEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])s1)[C@H]1C=C[C@H]2C1 100532557 FJVNPFQUNVYBKJ-PYMUTGJUSA-N 317.326 1.797 30 50 DDEA Cc1c(C(=O)O)cc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] 170008227 JEHTTXNLIZTRDF-UHFFFAOYSA-N 307.111 1.901 30 50 DDEA CCOC(=O)CC(C)(CC(=O)OCC)[C@@H](C#N)C(=O)OCC 5574540 FWPIKPORGOSSOV-NSHDSACASA-N 313.350 1.602 30 50 DDEA Cc1ccc(N=C(O)N(CC2CC2)C[C@H]2CN(C)CCO2)cn1 328642542 RCFHDHSHQCKYEW-MRXNPFEDSA-N 318.421 1.978 30 50 DDEA Cn1ccnc1C(=O)[C@H](C#N)C(=O)c1ccc2c(c1)CCC(=O)N2 122956326 OLIRISDFOJSNPY-GFCCVEGCSA-N 322.324 1.510 30 50 DDEA N#C[C@]12C(N)=NC3(OCCO3)[C@@]1(C#N)[C@@H]2c1ccc(Cl)cc1 15319790 HHDQFQIBVZOABA-XBFCOCLRSA-N 314.732 1.529 30 50 DDEA C[C@H]1C[C@H](C(=O)N2CC(=O)Nc3ccc(C#N)cc32)CCC1=O 333876280 QLQBLPZFQOBVMQ-CMPLNLGQSA-N 311.341 1.849 30 50 DDEA C=CCN(CC(=O)O)S(=O)(=O)C[C@H]1CCCCC1(F)F 297103183 ZIDDFYVQBVYOBO-SNVBAGLBSA-N 311.350 1.714 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H](C(=O)O)c2ccn(C)n2)N=N1 952876284 KNNFCVXDNWMFDH-GFCCVEGCSA-N 303.322 1.018 30 50 DDEA COCCNC(=O)[C@H](C#N)C(=O)C=C1C2CC3CC(C2)CC1C3 1875276412 DQQOYHUERGSEHF-BRULHKOASA-N 316.401 1.840 30 50 DDEA C#CCOCCC(=O)N1C[C@](O)(C(F)(F)F)c2cccnc21 1875391474 MDYQUZWCIMYHOG-CYBMUJFWSA-N 314.263 1.218 30 50 DDEA C=CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 3419565 HPYQAGLPIVQYSG-AWEZNQCLSA-N 308.403 1.450 30 50 DDEA N#Cc1cc2c(=O)n([C@@H](CO)c3ccccc3)ccc2nc1O 67804599 WAPHURQRFRTADK-HNNXBMFYSA-N 307.309 1.555 30 50 DDEA Cc1ccc(-c2nc(C#N)c(S(=O)(=O)N(C)CCO)o2)cc1 238900563 JOZXNWXCQQVEOA-UHFFFAOYSA-N 321.358 1.135 30 50 DDEA C#CC[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 585114876 DEJRSUFOMRKLRS-JTQLQIEISA-N 318.192 1.112 30 50 DDEA COC(=O)c1cc(CN(C)C(=O)C#C[C@@H]2CCCOC2)oc1C 1615589782 UZKXCVVATOISNF-ZDUSSCGKSA-N 319.357 1.763 30 50 DDEA CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1cccc(C#N)c1 225529612 JXPWBBKBGPPHFB-DFBGVHRSSA-N 314.389 1.390 30 50 DDEA CN(C)[C@H](/C(O)=N/[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cncn1C 328590042 HZNSDOOFJUWXBH-MHEUCROKSA-N 318.421 1.937 30 50 DDEA CCc1noc(C)c1N=C(O)N1C[C@@H](C)O[C@]2(CCOC2)C1 328587782 HXOYIAOMQFYZNN-MEBBXXQBSA-N 309.366 1.971 30 50 DDEA CNc1cc(N2CCC[C@@H]2CN=c2cc(C)c(C#N)c[nH]2)ncn1 1875265982 DPGUKINLWCCRKI-CQSZACIVSA-N 323.404 1.596 30 50 DDEA N#Cc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2C=CS(=O)(=O)C2)cc1 1875292626 NZJUBWRHTMADAY-RDBSUJKOSA-N 302.355 1.089 30 50 DDEA CCCn1cc(Cl)c(C(=O)N[C@@H]2CCCN(O)C2=O)n1 1875301916 WAPDYOXGUDUBJW-SECBINFHSA-N 300.746 1.057 30 50 DDEA C/C(=N\NC(=N)S[C@H]1CC(=O)N(C)C1=O)c1ccc(F)cc1 100510832 NAJIESDRWMECBS-CPWFCVNUSA-N 322.365 1.565 30 50 DDEA CCOC(=O)C1=C(C)N/C(=C\c2cccc(OC)c2O)C1=O 100208443 RTIZSYQWFVXBDJ-FLIBITNWSA-N 303.314 1.751 30 50 DDEA C=CCCC(=O)N[C@H]1CCN(Cc2c(C)noc2C)C[C@@H]1O 1099728630 YKTCUWHLZJGHJT-GJZGRUSLSA-N 307.394 1.309 30 50 DDEA N#Cc1ccc(C(=O)N2CCC[C@H](c3ccn(CCO)n3)C2)cc1 426465316 VPCIPWGKPWYAPY-INIZCTEOSA-N 324.384 1.767 30 50 DDEA O=[S@+]1(O)C[C@H]2NC(=S)N(CCc3ccc(F)cc3)[C@@H]2C1 334158024 IFJNLXACGOTQBO-VXGBXAGGSA-P 315.415 1.282 30 50 DDEA CN(C)CCn1cc(NC(=O)CNc2ccc(C#N)cc2)cn1 585146021 NXACEFDPGJKMBY-UHFFFAOYSA-N 312.377 1.367 30 50 DDEA CCCS(=O)(=O)CCn1cc(C#N)c(=O)c2ccccc21 170617975 VGYKOAKBMZKPNY-UHFFFAOYSA-N 304.371 1.698 30 50 DDEA N#Cc1ccc(S(=O)(=O)NCc2nnc(C3CC3)o2)cc1 170603631 RODVPVLBXMNZBV-UHFFFAOYSA-N 304.331 1.297 30 50 DDEA Cc1ccoc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 192134711 AHTQALPKZBQSDO-HNNXBMFYSA-N 323.352 1.991 30 50 DDEA Cc1nc(N/C(O)=N/[C@H]2CCO[C@@H]2c2cnn(C)c2)oc1C 328624762 KEHDABDGEDWFPB-NWDGAFQWSA-N 305.338 1.881 30 50 DDEA C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CC(O)(CC#N)C1 375779050 ZFNJTTNVMCFBSQ-GDBMZVCRSA-N 313.401 1.241 30 50 DDEA Cc1ccc([C@]23O[C@@H]2C(=O)[C@@H]2[C@H]4C[C@@H]([C@@H]5O[C@H]54)[C@H]2C3=O)cc1C 238901765 MNUNMXLALONTJK-LBJKMTLFSA-N 310.349 1.699 30 50 DDEA CC(C)CN1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CCO 426506869 VKUFDCPOVXMRNY-CQSZACIVSA-N 304.394 1.051 30 50 DDEA Cc1csc2ncc(C(=O)N[C@@]3(C#N)CC3(C)C)c(=O)n12 291375239 DMQPUGBDEKFWIS-CQSZACIVSA-N 302.359 1.487 30 50 DDEA CCc1nc(C#N)cc(N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)n1 585098822 FKIUFCCAHADNMZ-HIFRSBDPSA-N 310.405 2.467 30 50 DDEA COc1ccc(C(=O)O/N=C(\N)c2cccnc2)cc1[N+](=O)[O-] 8576385 JFEXTSGWSVPPIC-UHFFFAOYSA-N 316.273 1.476 30 50 DDEA CN1CCO[C@@H]2CCN(C(=O)c3ccccc3OCC#N)C[C@@H]21 225464629 ZMEIXLNAPXWBFB-GOEBONIOSA-N 315.373 1.134 30 50 DDEA CC1(C)OB(c2ccccc2S(=O)(=O)NC2CC2)OC1(C)C 170005290 VXBCHEKUSGLLGR-UHFFFAOYSA-N 323.223 1.427 30 50 DDEA Cn1cnnc1[C@@H]1CN(CCOc2ccccc2C#N)CCO1 328651966 WFJICQZVXSVWJT-HNNXBMFYSA-N 313.361 1.139 30 50 DDEA C[C@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccnc(O)c1 600740829 WWJGCGQAAOFTBD-GXTWGEPZSA-N 305.378 1.509 30 50 DDEA N#Cc1ccc(C(=O)N2CCC[C@@H](c3ccn(CCO)n3)C2)cc1 426465318 VPCIPWGKPWYAPY-MRXNPFEDSA-N 324.384 1.767 30 50 DDEA C[C@H](NC(=O)N1CCC(C#N)(c2ccccc2)CC1)C(=O)O 670451947 KRZYOOCZTOLFAV-LBPRGKRZSA-N 301.346 1.726 30 50 DDEA CC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1 204717627 XTTFZLZMAAKELK-UHFFFAOYSA-N 301.195 1.890 30 50 DDEA N/C(=N\CCOc1ncc(Cl)cc1Cl)N1CCOCC1 170666614 JGZNQGXFFPRUND-UHFFFAOYSA-N 319.192 1.414 30 50 DDEA Cc1c(C(=O)N[C@@H](C#N)C2CC2)nnn1Cc1ccc(F)cc1 194806590 VIFXJCAFIILWDO-AWEZNQCLSA-N 313.336 1.806 30 50 DDEA Cc1c([C@H]2OCC[C@@H]2/N=C(/O)c2cccnc2O)cnn1C 328609490 DLQVIRZRZWLJRJ-QWHCGFSZSA-N 302.334 1.664 30 50 DDEA C=C1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)C1 1875274509 FKJZGSMFRZDMLA-CYBMUJFWSA-N 309.410 1.326 30 50 DDEA C=CCCCCCS(=O)(=O)N(C)CCN1CCCC1=O 1775999119 QFNCMMIMUNCIKY-UHFFFAOYSA-N 302.440 1.617 30 50 DDEA C#CCCC1(CCNS(=O)(=O)NCc2ccc(C)cc2)N=N1 2325900070 JUDCPFOBDKGEDL-UHFFFAOYSA-N 320.418 1.885 30 50 DDEA C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2nncn2C)c1 125823966 HFLIHSBHKYZTEG-CQSZACIVSA-N 323.356 1.099 30 50 DDEA NC(=O)COc1ccc([C@H]2Nc3ccccc3C(=O)N2O)cc1 6706886 PYNMLUWXCVMZHC-HNNXBMFYSA-N 313.313 1.506 30 50 DDEA CC(C)n1ncc2c1C[C@@H](N/C(O)=N/CC(F)(F)CO)CC2 328589046 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50 DDEA C[C@H](C1CC1)N(C)S(=O)(=O)NC(=O)c1ccc(C#N)cc1 1875324384 WOSSXFGRXWIYSO-SNVBAGLBSA-N 307.375 1.263 30 50 DDEA CCCCN/C(O)=N/S(=O)(=O)c1ccc(C(=O)OC)o1 2887118 COJWKQVFHWXNOY-UHFFFAOYSA-N 304.324 1.059 30 50 DDEA C[C@@H]1CC[C@@H](/C(O)=N/C[C@@H]2C[C@H](F)CN2c2cccnn2)O1 328629719 IOGASMRGVDSOQA-VOAKCMCISA-N 308.357 1.917 30 50 DDEA N#Cc1ncccc1S(=O)(=O)N[C@H]1COc2ccccc2C1 370443796 FZICODLIDHVFTL-GFCCVEGCSA-N 315.354 1.235 30 50 DDEA Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 179717038 ANDIXUOKOSHKHF-CYBMUJFWSA-N 324.388 1.912 30 50 DDEA CC(C)NC(=O)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 396143157 UKZJANAMCBGQII-UHFFFAOYSA-N 319.210 1.889 30 50 DDEA CCC#CCN1CCC(CNC(=O)c2cn(C)nc2C)CC1 822523080 XUQMKIZXYVTSHP-UHFFFAOYSA-N 302.422 1.584 30 50 DDEA Cn1cncc1[C@@H]1C[C@H](NC(=O)c2cccc(C#N)c2)CCO1 276484939 ZVFRQUCLDDAHQU-ZBFHGGJFSA-N 310.357 1.942 30 50 DDEA N#Cc1ccccc1OCCN1CCC[C@](O)(c2cnn[nH]2)C1 583618014 UKJBEQAGWJYIPJ-MRXNPFEDSA-N 313.361 1.039 30 50 DDEA C/C(=N\O)[C@H]1C[C@H](C(=O)NC2(CO)CCSCC2)C1(C)C 585120753 JGZZONDJXBHVFL-SYRODZOTSA-N 314.451 1.873 30 50 DDEA CCc1nn(Cc2csc3cncn23)c(=O)c(C#N)c1CC 1615615809 UCCYPGNLGCTXOH-UHFFFAOYSA-N 313.386 1.997 30 50 DDEA COc1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cc1C#N 331924305 LZKNBSUIBXOMHF-BBWFWOEESA-N 316.401 1.929 30 50 DDEA COC[C@](C)(C#N)NC(=O)c1ccc(CN2CCCCC2)o1 929083925 WEZAGJSCKKZNHD-INIZCTEOSA-N 305.378 1.924 30 50 DDEA N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N1C[C@H](N)CC2(CCC2)C1 2325769120 IOKVTEPBPFTQAN-WBVHZDCISA-N 324.428 1.475 30 50 DDEA N#CC1(C#N)[C@H]2C=C[C@H](C1(C#N)C#N)[C@]13CC(=O)O[C@@H]1C=C[C@H]23 101043682 DNSIQTIUPSHMFJ-REDKMVRKSA-N 302.293 1.357 30 50 DDEA C[C@H](/N=C(/O)N1CC[C@H](c2nccn2C)C1)c1cnn(C)c1 328800317 YHBVHTXJFKQUBB-RYUDHWBXSA-N 302.382 1.618 30 50 DDEA N#Cc1ccc(N[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]2O)nc1 1565512891 SNNPEVKTEPATSJ-HOTGVXAUSA-N 322.368 1.641 30 50 DDEA CC1(C)OB(c2ccc(S(N)(=O)=O)cc2Cl)OC1(C)C 204896139 VWBBFIPCGTVAMI-UHFFFAOYSA-N 317.603 1.287 30 50 DDEA Cc1nc(/C(O)=N/C(C)(C)c2noc(CN(C)C)n2)c(C)o1 330458079 HTCRZQOUSCLYML-UHFFFAOYSA-N 307.354 1.976 30 50 DDEA C=CCOc1ccccc1C(=O)N[C@@H](C)c1nnc(O)n1C 585130706 ZLLXPNGKRUTIHA-JTQLQIEISA-N 302.334 1.577 30 50 DDEA N#C[C@@H]1C(=O)Nc2[nH]c(N)nc(=O)c2[C@H]1c1ccc(Cl)cc1 6667767 NFGHAKSXFCUBMH-IUCAKERBSA-N 315.720 1.229 30 50 DDEA C=CCOc1cccc(CNCCSc2nnnn2C)c1 2178169 VYQVUXLVZLGHPI-UHFFFAOYSA-N 305.407 1.657 30 50 DDEA C=CCn1c(COc2ccc(F)cc2)nnc1SCC(N)=O 3534993 OZNCCJZNRLTNRI-UHFFFAOYSA-N 322.365 1.760 30 50 DDEA CC(C)(CN1CCOCC1)NC(=O)Cc1ccc(C#N)cc1 308710831 VIYMMNBSNRZAJF-UHFFFAOYSA-N 301.390 1.328 30 50 DDEA COC(=O)[C@@H]1C(=O)[C@@H](C(=O)/C=C/c2ccco2)C(=O)CC1(C)C 100150828 OZNNWTQYFYFKJQ-AGKLADILSA-N 318.325 1.835 30 50 DDEA biogenic N#Cc1c[nH]ccc1=NC(=O)C1CCN(CC(F)(F)F)CC1 330843282 MWGNKPTYEKJKOY-UHFFFAOYSA-N 312.295 1.588 30 50 DDEA COc1ccc(C#N)cc1CN1CCO[C@@H](c2nncn2C)C1 328640770 QEJDSJZXNIZSCI-OAHLLOKOSA-N 313.361 1.269 30 50 DDEA N#Cc1ccc(N[C@H]2CCN(C(=O)Cc3ccccc3)C2)nc1 376473537 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30 50 DDEA C=CCN1CC[C@@H](CNC(=O)c2ccc3[nH]c(CO)nc3c2)C1 97729511 HSSWSOIQRAGHTQ-LBPRGKRZSA-N 314.389 1.293 30 50 DDEA C=CCOc1ccccc1C(=O)N[C@@H](C)[C@H]1CN(C)CCN1C 585130248 LENIWPSAKWNBHF-GOEBONIOSA-N 317.433 1.616 30 50 DDEA CCN1CCN(CC#CCOc2c(OC)cccc2OC)CC1 23116695 NHFLBMDZTATVKD-UHFFFAOYSA-N 318.417 1.724 30 50 DDEA CC(C)[C@H](C#N)OC(=O)c1cccc(-n2[nH]c(=O)ccc2=O)c1 121604227 NGOJSXFQVMMLJJ-ZDUSSCGKSA-N 313.313 1.231 30 50 DDEA Cc1c([C@H]2OCC[C@@H]2NC/C(O)=N/CC2CCC2)cnn1C 328617196 CLKDPSOXJRHLNS-GOEBONIOSA-N 306.410 1.905 30 50 DDEA COC[C@H](/N=C(/O)N1CCN(C)[C@@H](c2ncc[nH]2)C1)C1CC1 328643223 YQQYOWDKZHMPKO-QWHCGFSZSA-N 307.398 1.037 30 50 DDEA N#Cc1cccc(C#N)c1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 365550383 GIFORRDTBPVLIC-MRXNPFEDSA-N 323.400 1.348 30 50 DDEA C[C@H](C[S@](C)=O)/N=C(/O)N1CCOC[C@@H]1c1ccccc1 330806745 JDEIANKJGWQRFH-YOEYROIRSA-N 310.419 1.741 30 50 DDEA Cc1nnc(SCCCN2CCN(C)CC2)c(C#N)c1C 130399986 VBUFOCMDVUDMCD-UHFFFAOYSA-N 305.451 1.695 30 50 DDEA N#Cc1ccccc1C(=O)NC1CCN(C2CCOCC2)CC1 222773752 BXDRAABABXLKIH-UHFFFAOYSA-N 313.401 1.931 30 50 DDEA Cc1nc(NC(=O)CN2CCC[C@@H](C#N)C2)sc1C(=O)O 299777959 IDFGQUSIPWHFHU-VIFPVBQESA-N 308.363 1.324 30 50 DDEA N#Cc1ccc(C(=O)N2CCc3[nH]nc(C4CC4)c3CC2)cn1 1857679422 LJMHEWWIXKPEDE-UHFFFAOYSA-N 307.357 1.795 30 50 DDEA CCOC(=O)[C@@H](/N=C(/O)c1nc(C)oc1C)C1CCOCC1 330517546 GIKHREAEYZFBPS-ZDUSSCGKSA-N 310.350 1.954 30 50 DDEA COCC[C@]1(O)CCN(C(=O)c2ccc(C#N)cc2)C[C@H]1C 91518624 PEHZPXFSAAZDIA-CXAGYDPISA-N 302.374 1.808 30 50 DDEA C=CC[C@]1(CO)CCCN(C(=O)CN(C)Cc2cccnc2)C1 91818023 DJHBOMATZHYMCV-SFHVURJKSA-N 317.433 1.691 30 50 DDEA CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 169743744 KVQXFNGVIIPCSX-UHFFFAOYSA-N 303.215 1.133 30 50 DDEA N#Cc1c(N)sc2c1CCN(S(=O)(=O)CCC1CC1)C2 1875279112 HGJHIVPPEHSMRD-UHFFFAOYSA-N 311.432 1.690 30 50 DDEA CSCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C#N)cc1 219890144 DLGPOOVXEYJJOI-ZIAGYGMSSA-N 306.387 1.574 30 50 DDEA N#Cc1ccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)o1 434538671 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50 DDEA C[C@H]1CN(C[C@@H](C#N)CCC#N)CCN1c1ccc2nncn2n1 229554063 WRTQLROEMNIEEM-UONOGXRCSA-N 324.392 1.078 30 50 DDEA CC(C)(O)C#Cc1ccc(C(=O)NCCc2csc(N)n2)o1 217170520 OYDDRWGIENGJQZ-UHFFFAOYSA-N 319.386 1.413 30 50 DDEA N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@H]1C[C@@H]1C1CC1 160072633 URSGICCCFARAAJ-ZJUUUORDSA-N 308.334 1.548 30 50 DDEA C=CCNC(=O)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 12459623 UYJMCKOEJGEFQO-CQSZACIVSA-N 305.353 1.454 30 50 DDEA CCN1CCN(C(O)=Nc2ccc(F)cn2)C[C@@H]1c1ncc[nH]1 328617249 COCHMOAKCFZUNA-GFCCVEGCSA-N 318.356 1.868 30 50 DDEA C[C@H]1CN(c2nccnc2C#N)CCN1CCc1ccncc1 155670929 LRAOCCXRSKQZRX-AWEZNQCLSA-N 308.389 1.496 30 50 DDEA N#Cc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 390091 KQSZXDUSXSPEEF-UHFFFAOYSA-N 304.309 1.907 30 50 DDEA N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1C[C@H]2CC[C@H]1O2 225429113 OADQAJXUYMBBLD-HZSPNIEDSA-N 320.370 1.072 30 50 DDEA C=CCNc1ccc(C(=O)N2CCN3CCN(C)C[C@@H]3C2)cc1 106277832 COTNIYLSNBJSCR-QGZVFWFLSA-N 314.433 1.356 30 50 DDEA C[C@@H]1C[C@H](N2CC[C@@H](CNc3ncccc3C#N)C2)C(=O)O1 222202815 GEZOSLDVJDYXMH-DYEKYZERSA-N 300.362 1.391 30 50 DDEA CS(=O)(=O)N1CCCC[C@@H]1CCNc1cc(C#N)ccn1 826796092 HDSLKHVZAXMAHI-CYBMUJFWSA-N 308.407 1.569 30 50 DDEA CC1(C)OB(c2ccc(CN3CCNCC3)cc2)OC1(C)C 169810169 YDTPVWQNUYEICI-UHFFFAOYSA-N 302.227 1.391 30 50 DDEA in-vitro C=CCCCS(=O)(=O)NCCn1cc(-c2ccccc2)nn1 1616032356 UFVCIBCQLUSZKX-UHFFFAOYSA-N 320.418 1.831 30 50 DDEA C#CCN1CC(=O)N(COC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)C1=O 5159135 VPRAQYXPZIFIOH-GXTWGEPZSA-N 318.373 1.623 30 50 DDEA biogenic,in-man CN(C)C(=O)C[C@H]1CN(c2ccc(C#N)cc2Cl)C[C@@H]1O 1857531648 JUXYGSKYDKLTTH-FZMZJTMJSA-N 307.781 1.487 30 50 DDEA Cc1cc(C)c(C#N)c(N2CCC[C@](O)(CC(=O)N(C)C)C2)n1 591618734 RRRPQDQMGOSFAY-KRWDZBQOSA-N 316.405 1.380 30 50 DDEA C=CCOCC(=O)N1CCc2nnc(-c3ccncc3)cc2C1 952893027 FCDAVGARGUSTBW-UHFFFAOYSA-N 310.357 1.626 30 50 DDEA N#Cc1cnc(N2CCN(Cc3cnccn3)CC2)c(Cl)c1 952964975 YWQFBADEEKRNOK-UHFFFAOYSA-N 314.780 1.719 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H]2CCCN2c2cnccn2)N=N1 2325891484 KCZUWSAUEAPURU-ZDUSSCGKSA-N 312.377 1.527 30 50 DDEA CCN1C(=O)C[C@@H](N2CCC(C#N)(c3ccccc3)CC2)C1=O 20608731 FRRLXQBAMVZZAP-OAHLLOKOSA-N 311.385 1.691 30 50 DDEA Cc1nccn1C[C@H](C)C/N=C(/O)N[C@@H]1CCO[C@@H]1C1CC1 328816257 CUDHKFJNQBGECS-KCPJHIHWSA-N 306.410 1.899 30 50 DDEA CN1CC[C@H]2OCCN(C(=O)c3c(F)cc(C#N)cc3F)[C@H]2C1 285069491 CLFWFZFLJAIKNG-UONOGXRCSA-N 321.327 1.382 30 50 DDEA Cn1nnc(-c2cccc(NC(=O)N3CCC[C@H](C#N)C3)c2)n1 426730410 LTBMOKMLFIDYSU-LLVKDONJSA-N 311.349 1.645 30 50 DDEA C=C[C@H]1CCCCN1C(=O)C1CCC2(CC1)NC(=O)NC2=O 408373716 MDZXDPCPXCRHFQ-BGMSHATGSA-N 305.378 1.322 30 50 DDEA CCn1nccc1CN(C)S(=O)(=O)c1cccc(C#N)c1 240786099 IAIWCFMYRQXSFQ-UHFFFAOYSA-N 304.375 1.595 30 50 DDEA C[C@@H]1CC[C@H](N(CCO)C(=O)CNc2ccc(C#N)cc2)C1 585126758 HSSNBNRRRIUJAY-CJNGLKHVSA-N 301.390 1.980 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H]2CO[C@H](Cn3cccn3)C2)N=N1 2325891704 WXDQNUWFGJHKGU-KBPBESRZSA-N 315.377 1.370 30 50 DDEA C=C(C)Cn1c(S[C@@H](C)C(C)=O)nc2c1c(=O)[nH]c(=O)n2C 266841 WWDBCBOCHNZIHQ-VIFPVBQESA-N 322.390 1.069 30 50 DDEA COc1ccc(N/C(S)=N\[C@@H]2CCS(=O)(=O)C2)cc1 8684848 BLGISOHAFZNJEE-SNVBAGLBSA-N 300.405 1.580 30 50 DDEA CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(C#N)c1 246970451 LVQAQTGYYNSELA-GJZGRUSLSA-N 319.430 1.806 30 50 DDEA COc1cc(/C(O)=N/[C@H]2CCCO[C@@H]2c2cnn(C)c2)on1 328615983 BGJXSBKKGGEVDH-GXFFZTMASA-N 306.322 1.642 30 50 DDEA COC[C@@H]1CN(Cc2cc(C#N)n(C)c2)C[C@H]1c1cnn(C)c1 585655673 XWROVSRYZGECOF-RDJZCZTQSA-N 313.405 1.492 30 50 DDEA C#CCCS(=O)(=O)NC(=O)CCCCC(=O)OC(C)(C)C 847699792 WNGJWMFQILEFBH-UHFFFAOYSA-N 317.407 1.358 30 50 DDEA COCc1nccc([C@H]2CCCN(c3nccnc3C#N)C2)n1 363533924 DFYSNZCMCVGSJD-LBPRGKRZSA-N 310.361 1.669 30 50 DDEA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccc(C#N)nc2)on1 96152026 YSZKCPQKGCLPEA-DOMZBBRYSA-N 312.329 1.237 30 50 DDEA CN(C)c1ccnc(Sc2c([N+](=O)[O-])ncn2C)c1C#N 19334570 BVAURKJNXTUTKB-UHFFFAOYSA-N 304.335 1.812 30 50 DDEA COC[C@@H](N/C(O)=N/[C@H]1CCO[C@@H]1c1cnn(C)c1C)C1CC1 328630671 QDNZCNLRCADSHQ-RRFJBIMHSA-N 322.409 1.487 30 50 DDEA N#Cc1cccc(S(=O)(=O)N2CC[C@@H](c3cnccn3)C2)c1 952881506 RVTOGBXCKQIHBZ-CYBMUJFWSA-N 314.370 1.526 30 50 DDEA Cc1nn(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(=O)c(C#N)c1C 230039127 ICLHGTKHMCXCAQ-FIXISWKDSA-N 316.405 1.673 30 50 DDEA O=C1CC(c2ccc(Cl)cc2)CC(=O)C1=CN1C[C@@H](O)CO1 1388419 WPFHXZFSHREEHL-GLGOKHISSA-N 321.760 1.848 30 50 DDEA CCOC(=O)C1=NO[C@@H](COc2ccccc2/C=N/OC)C1 5247437 SKVFIINVLKARJO-GFQQVXNGSA-N 306.318 1.754 30 50 DDEA O=C(C/N=C(/O)CN[C@H]1CCC(O)=NC12CCC2)N1CCCC1 328681640 CPFRIAHPJSDDEU-LBPRGKRZSA-N 322.409 1.197 30 50 DDEA CC(O)=Nc1ccn([C@H]2CCN(C(=O)[C@]3(C)CCCO3)C2)n1 328611495 LUNUIGLACMHGJN-WFASDCNBSA-N 306.366 1.834 30 50 DDEA CC(O)=Nc1ccn([C@@H]2CCN(C(=O)c3ccc(O)nc3)C2)n1 328610500 ICHGKJOVJWHIAV-GFCCVEGCSA-N 315.333 1.679 30 50 DDEA CC(C)[C@@](C)(C#N)NC(=O)CNc1cccc2c1OCC[C@H]2O 253418863 BWGLEUGJGKVUGL-RHSMWYFYSA-N 317.389 1.969 30 50 DDEA C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(-n2ccnc2)nc1 154705398 AMYAFHPRMGPCFX-UHFFFAOYSA-N 313.361 1.630 30 50 DDEA C=C[C@@H](COC)NC(=O)N1Cc2ncccc2N2CCC[C@H]2C1 1334271381 OMPXFIPDJNUJQU-KBPBESRZSA-N 316.405 1.777 30 50 DDEA CCc1nc(C#N)cc(N2CCC(N3CCOCC3)CC2)n1 585124820 UHURFAPVDPPCCA-UHFFFAOYSA-N 301.394 1.212 30 50 DDEA C[C@H](/C(O)=N/C[C@@H]1CCCO1)N1CCO[C@]2(CCCOC2)C1 329070168 NCZNMGNBABCZDB-IJEWVQPXSA-N 312.410 1.392 30 50 DDEA CN1C[C@@]2(C)CN(C(=O)CNc3ccc(C#N)cc3)C[C@]2(C)C1 863947933 SCNXATUYPJQJDS-ROUUACIJSA-N 312.417 1.770 30 50 DDEA C#CCCC1(CCC(=O)N2CCC(Cn3cncn3)CC2)N=N1 952881646 PGCMNIPUMCZKQI-UHFFFAOYSA-N 314.393 1.872 30 50 DDEA COC1CCN(c2ccc(F)cc2CN(C)C(=O)[C@@H]2CO2)CC1 1875372487 GVVUXWYFNRZSDZ-INIZCTEOSA-N 322.380 1.798 30 50 DDEA N#Cc1ccc([C@@H](C(N)=O)N2C[C@@H](O)CC3(CCCC3)C2)cc1 2325772037 OQGZIBGWOJJRQI-HOTGVXAUSA-N 313.401 1.712 30 50 DDEA C#CCCC1(CCC(=O)NCc2ccc3c(c2)nnn3C)N=N1 2325900055 JJAMKYDZQUBKCI-UHFFFAOYSA-N 310.361 1.940 30 50 DDEA CC[C@@H](CO)N/C=C1\C(=O)CC[C@H](C(=O)c2ccccc2)C1=O 100649990 UMQNSZXPLHKZRR-PBPDQSIOSA-N 315.369 1.662 30 50 DDEA CC1(C)OB(c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)OC1(C)C 170008357 PVHAULNNNHZLEA-MRXNPFEDSA-N 316.166 1.040 30 50 DDEA C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NCCSc1nnnn1C)C2 67588331 DVTFITDJRHBXIS-NHYWBVRUSA-N 321.450 1.801 30 50 DDEA N#C[C@H]1C(=O)Nc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1cccs1 221527189 OVKIFOJAZYPSMP-IYSWYEEDSA-N 304.356 1.718 30 50 DDEA O=C(C1CCC1)N1CCN(Cc2cc(C#CCO)cs2)CC1 828644564 FGSSOSYQOOXLSD-UHFFFAOYSA-N 318.442 1.536 30 50 DDEA Cc1ccc(S(=O)(=O)N2CCC[C@H](C#CC(=O)O)C2)c(C)c1 899930971 WRIOVHYFMSFZAJ-CQSZACIVSA-N 321.398 1.792 30 50 DDEA C/N=C(/O)[C@@H]1CCCN(C(=O)C(C)(C)S(=O)(=O)C2CC2)C1 328848649 YKVLYAGXETZVAW-SNVBAGLBSA-N 316.423 1.167 30 50 DDEA Cc1nc2ccccc2n1CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 363080160 VOSGTFQNNNGAPO-HNNXBMFYSA-N 323.400 1.544 30 50 DDEA N#Cc1cccc(CCNC(=O)N2CCC[C@@H](n3cncn3)C2)c1 241884811 SXZUIWWKWSOCHP-MRXNPFEDSA-N 324.388 1.739 30 50 DDEA N#Cc1c[nH]c(C(=O)NC2CCN(C3CCOCC3)CC2)c1 426677502 OKERAALDPQMVRP-UHFFFAOYSA-N 302.378 1.260 30 50 DDEA COc1ccc(O[C@@H](C)C(=O)O/N=C(\N)c2ccncc2)cc1 5014169 USLXHDXHCHNCAC-NSHDSACASA-N 315.329 1.721 30 50 DDEA Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1c[nH]c(C#N)c1 371500349 NIODHDOSXTWYIE-CQSZACIVSA-N 313.361 1.450 30 50 DDEA CC1(C)C[C@@H](NC[C@]2(C#N)C[C@H]2S(C)(=O)=O)C(C)(C)O1 1875368027 JQHLTWUNCXJBIA-JTNHKYCSSA-N 300.424 1.249 30 50 DDEA N#Cc1ccc(-c2cn(CCNC(=O)[C@H]3CC34CC4)nn2)cc1 1875324006 YIMQGYDRVVYLNS-CQSZACIVSA-N 307.357 1.733 30 50 DDEA C[C@@H]1c2nncn2CCN1C(=O)C#Cc1ccccc1Cl 2325804514 VSISOMSPRJXTOX-LLVKDONJSA-N 300.749 1.886 30 50 DDEA COCCN1C[C@H](Cc2nc(C)c(C)c(C)c2C#N)CC1=O 244794522 QOIZZHFYIRJIOQ-CQSZACIVSA-N 301.390 1.916 30 50 DDEA CN(C)CCc1nnc(NC(=O)c2cc(C#N)cn2C)s1 1506414944 SWVYANKLTFIBGN-UHFFFAOYSA-N 304.379 1.105 30 50 DDEA CN(CCC#N)S(=O)(=O)N1CC[C@@H](Cc2ccncc2)C1 611792381 NFSXFNUZWZLPHO-AWEZNQCLSA-N 308.407 1.036 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@@H](N3CCOCC3)C2)N=N1 952882150 RZKIEZDUIGDHCR-OAHLLOKOSA-N 318.421 1.665 30 50 DDEA CC(O)=Nc1ccn([C@@H]2CCN(C(=O)[C@@H]3CCO[C@@H]3C)C2)n1 328609026 BYJHYMMBHMCSFS-RAIGVLPGSA-N 306.366 1.689 30 50 DDEA C[C@H](C/N=C(/O)c1c[nH]nc1[C@H]1CCOC1)Cn1cccn1 328624453 JXKMSSDEHWAHJK-NEPJUHHUSA-N 303.366 1.751 30 50 DDEA CN(Cc1nc(-c2ccccn2)no1)C(=O)c1ccc(C#N)nc1 91746245 KFZSTNOPTIWICP-UHFFFAOYSA-N 320.312 1.670 30 50 DDEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)CCc2csc(N)n2)C1 91270244 DVDRASOVYLLOAR-OAHLLOKOSA-N 323.418 1.927 30 50 DDEA CC[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N(C)C 268731391 LSVTYTOLDXEWBQ-IAGOWNOFSA-N 314.433 1.563 30 50 DDEA Cn1ccnc(N2CCC[C@H](Nc3ncccc3C#N)C2)c1=O 275496859 BYSLEANPUKZZGU-ZDUSSCGKSA-N 310.361 1.128 30 50 DDEA C[C@H]1OCCC[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 191582843 RUCOQGUJIZXTPS-UKRRQHHQSA-N 314.389 1.417 30 50 DDEA Cn1cc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)c(=O)n(C)c1=O 763291584 ZLXCSGCRAQACKW-MLJKTZRHSA-N 322.364 1.784 30 50 DDEA C=CCNc1ncnc2sc(C(=O)N[C@H](C)CO)c(C)c12 12509874 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1.751 30 50 DDEA Cc1cc(C)c(C#N)c(NCCS(=O)(=O)NCC2CCC2)n1 189620847 MZYHLZADNRXESX-UHFFFAOYSA-N 322.434 1.702 30 50 DDEA Cn1cc(CNC2CCN(C(=O)c3ccncc3)CC2)cc1C#N 190810405 QTPFUTWIBOILBS-UHFFFAOYSA-N 323.400 1.686 30 50 DDEA N#Cc1cc(Cl)ccc1CN1CCO[C@H](Cn2cncn2)C1 331739299 VKAXWVAQKZEWNX-HNNXBMFYSA-N 317.780 1.704 30 50 DDEA COC1(C#N)CC(C(=O)N[C@@H]2C[C@H](CO)c3ccccc32)C1 2325785321 QBQZNXDWSHNXCC-FGUMPLJBSA-N 300.358 1.642 30 50 DDEA C#CCCC1(CCC(=O)N2C[C@H]3CCO[C@@]3(C(=O)OC)C2)N=N1 2325892936 UREAGOFFLHBYGD-WBMJQRKESA-N 319.361 1.133 30 50 DDEA OCC#Cc1ccc(-c2nccn2CCN2CCOCC2)s1 67513529 WMSZFOGLMOZFFM-UHFFFAOYSA-N 317.414 1.288 30 50 DDEA N#Cc1ncn(C[C@@H]2CN(Cc3ccccc3)CCCO2)c1C#N 241862518 SQUXNCQHPWJFBO-INIZCTEOSA-N 321.384 1.918 30 50 DDEA C=CCc1cc(CN2C[C@@H](N)[C@H](O)C2)cc(OCC)c1OC 426566778 AXBNYDNKADUHNI-HUUCEWRRSA-N 306.406 1.326 30 50 DDEA N#Cc1ccc(C(=O)NC[C@@H]2CCCN(c3ccccn3)C2)cn1 244691906 JLARXTMZTIDLDN-AWEZNQCLSA-N 321.384 1.995 30 50 DDEA 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320.374 1.989 30 50 DDEA C[C@H](C(N)=O)N1CCN(Cc2ccc(F)c(C#N)c2Cl)CC1 225465405 LRWDRJHGNQBJSX-SNVBAGLBSA-N 324.787 1.342 30 50 DDEA CON(C)C(=O)c1c(F)cccc1B1OC(C)(C)C(C)(C)O1 170007560 YIGXQXLYTJMUMQ-UHFFFAOYSA-N 309.146 1.758 30 50 DDEA N#Cc1ccc(OC[C@H](O)CN2CCC23CCOCC3)cc1 253393864 DBVPIFOJUKWRKU-OAHLLOKOSA-N 302.374 1.553 30 50 DDEA Cc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 377669951 LMCAVKGGBCOLHM-CQSZACIVSA-N 305.403 1.356 30 50 DDEA c1ccc2c(CCC/N=C3/NCCN3C3=NCCN3)c[nH]c2c1 96028007 BXSIFOJCIAAUCS-UHFFFAOYSA-N 310.405 1.321 30 50 DDEA C=C(C)CS(=O)(=O)NC[C@@H](CC(C)C)NC(=O)OCC 170599262 YPSAZGHGSOQLOF-GFCCVEGCSA-N 306.428 1.643 30 50 DDEA O=c1[nH]nc(SC(F)(F)C(F)(F)C(F)(F)F)c(=O)[nH]1 4137143 RBADAMDLJQEDNS-UHFFFAOYSA-N 313.154 1.341 30 50 DDEA CN1CCN(/C(O)=N/Cc2ccsc2)C[C@H]1c1ncc[nH]1 328618050 DIBOSVRPISCTMU-LBPRGKRZSA-N 305.407 1.874 30 50 DDEA C=CCCCS(=O)(=O)NCc1nnc2ccc(Cl)cn12 874435051 KERIFGVJJLFZDN-UHFFFAOYSA-N 314.798 1.768 30 50 DDEA 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C[C@@H]1NC(=O)[C@@H](C)N(C(=O)CNc2ccc(C#N)cc2)[C@H]1C 585127390 ZBQWEOZUPPZVQW-SDDRHHMPSA-N 300.362 1.094 30 50 DDEA C#CCOc1cc(C(=O)N2CCC[C@H](OC)C2)ccc1OC 1506398769 FQCWTUIXZCWJKD-AWEZNQCLSA-N 303.358 1.958 30 50 DDEA C=C[C@@H](O)C(=O)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 952891945 DFMVQKJXZWFWMY-GFCCVEGCSA-N 317.320 1.523 30 50 DDEA CN(C)[C@H]1C[C@H](C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 2325784895 SFKXAZXEQXPDMR-BRWVUGGUSA-N 313.401 1.798 30 50 DDEA CCc1nc(CN2CC[C@@H](n3ccc(N=C(C)O)n3)C2)no1 328632141 RQEXIKISPCQWKG-LLVKDONJSA-N 304.354 1.883 30 50 DDEA C[C@H](C/N=C(/O)[C@H]1CCO[C@@H]1c1cnn(C)c1)Cn1cccn1 328638851 WPNVMBSALQQDKV-VHDGCEQUSA-N 317.393 1.987 30 50 DDEA N#Cc1cc(F)c(C(=O)NC[C@@H]2CN(C3CC3)CCO2)c(F)c1 154926269 IWMRHRNXAOSKPK-GFCCVEGCSA-N 321.327 1.429 30 50 DDEA N#Cc1ccc(CN2CCN(C3CCOCC3)C[C@@H](O)C2)cc1 217577712 HHUIOZFZJRQXTF-SFHVURJKSA-N 315.417 1.216 30 50 DDEA C=C[C@H](COC)NS(=O)(=O)c1ccc(C(=O)O)cc1Cl 1329633250 RJSHWOMFISCRFJ-SECBINFHSA-N 319.766 1.518 30 50 DDEA C=CCc1ccc(OC[C@H](O)CN2CCN(C)CC2)c(OC)c1 19790797 BWGHWPPNOVJTCK-MRXNPFEDSA-N 320.433 1.411 30 50 DDEA CN(C)c1ccc(/C=N/N=C2/NC(=O)[C@@H](CC(=O)O)S2)cc1 5585837 VSTLAGXYQPZCBE-OXFWXOROSA-N 320.374 1.149 30 50 DDEA Cc1ncc2c(c1C#N)CCN(C(=O)[C@@H]1CCc3ncnn3C1)C2 1857719193 GLVXOAIPZOTDCD-GFCCVEGCSA-N 322.372 1.001 30 50 DDEA Cc1nnc([C@@H]2COCCN2c2ncc(C#N)cc2Cl)o1 333007304 AJVJSBUKGVMBNQ-NSHDSACASA-N 305.725 1.876 30 50 DDEA CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1cccc(C#N)c1 252536958 JXPWBBKBGPPHFB-NILFDRSVSA-N 314.389 1.390 30 50 DDEA O=C(CO/N=C1\CCCc2nonc21)NC1CCCCCC1 1432533 QQGHQJMSXBZZCV-SFQUDFHCSA-N 306.366 1.966 30 50 DDEA C#CCCC1(CCC(=O)N2CCO[C@@H](c3ccnn3C)C2)N=N1 2325886411 WHNAJRUMCXHWCA-CQSZACIVSA-N 315.377 1.676 30 50 DDEA C#CCOC(=O)CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3878518 LGFDJLOWYGQZCE-UHFFFAOYSA-N 307.262 1.872 30 50 DDEA N/C(=N\[N+](=O)[O-])N/N=C\c1ccc(-c2ccccc2C(=O)O)o1 4954048 UYVJAFUSFJOEFF-CHHVJCJISA-N 317.261 1.075 30 50 DDEA COC(=O)c1cc([N+](=O)[O-])ccc1B1OC(C)(C)C(C)(C)O1 170003554 ULTODKVHKCAZQT-UHFFFAOYSA-N 307.111 1.681 30 50 DDEA CCn1cnnc1[C@H]1CN(/C(O)=N/Cc2ccsc2)CCO1 328631853 RLHCQPXPXGGSPY-GFCCVEGCSA-N 321.406 1.847 30 50 DDEA O/C(Cc1cncnc1)=N/C[C@@H]1CCN(CC(F)(F)F)C1 329891472 HXJZDMMXJICQMC-JTQLQIEISA-N 302.300 1.860 30 50 DDEA N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ncccn1 602900292 STVOOUZCGGFLMG-JKSUJKDBSA-N 324.384 1.925 30 50 DDEA CC[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)n1cccn1 91997896 YMAXPDQLCLZVDO-OAHLLOKOSA-N 324.388 1.450 30 50 DDEA Cc1cc(C#N)c(O)nc1C(=O)N1CC[C@H](c2cccnc2)C1 1452181559 PSGUVNCECJXVRW-ZDUSSCGKSA-N 308.341 1.992 30 50 DDEA Cc1ncnc(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)c1C 952872647 BEVKGBBIACTFJT-UHFFFAOYSA-N 310.361 1.256 30 50 DDEA CCOc1ccccc1/C=N/N=C1/NC(=O)[C@H](CC(=O)O)S1 1152508 WXCJENORKGUYAP-UXYFDLPDSA-N 321.358 1.482 30 50 DDEA CO[C@@H]1C[C@H](CNC(=O)C#CC(C)(C)C)N(c2ccncn2)C1 952886684 FTYRHAXHJCPGSQ-ZIAGYGMSSA-N 316.405 1.236 30 50 DDEA Cc1cc(C#N)nc(NC[C@@H]2CCCO[C@H]2c2cnn(C)c2)n1 886089138 ZMPSSTZPLQPVKM-SWLSCSKDSA-N 312.377 1.970 30 50 DDEA C#CCCC1(CCC(=O)N[C@H](c2ccccc2)c2nn[nH]n2)N=N1 2325894684 HRHZCYKRLCIIAV-CQSZACIVSA-N 323.360 1.761 30 50 DDEA CC(=O)c1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1 2318463 XHOWFGLALWEEDV-UHFFFAOYSA-N 305.359 1.707 30 50 DDEA N#Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1N1CCOCC1 225815440 AMCWBNNXOITXAF-UHFFFAOYSA-N 318.333 1.140 30 50 DDEA C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](C(N)=O)C1 229264475 DDMXHNAINQVLEY-CHWSQXEVSA-N 321.446 1.458 30 50 DDEA N#Cc1ccc(CN2CCCO[C@H](CN3CCOCC3)C2)cc1 215949924 BHXPZBMSRYTHNO-GOSISDBHSA-N 315.417 1.481 30 50 DDEA Cc1nnc(N2C[C@@H](F)C[C@H]2C/N=C(/O)C2=COCCC2)o1 328630011 IYJDZUINJPNOJC-RYUDHWBXSA-N 310.329 1.946 30 50 DDEA Cc1cnn(C[C@@H]2CCCN2CC(=O)N[C@](C)(C#N)C2CC2)c1 257365808 OXTGBXYEUOLZIN-DOTOQJQBSA-N 315.421 1.464 30 50 DDEA O=[S@+]1(O)C[C@@H]2NC(=S)N(c3ccccc3Cl)[C@H]2C1 334157936 USXYBSSFESIIPG-WPRPVWTQSA-P 303.816 1.758 30 50 DDEA CCC(=O)N1CC[C@H](C(=O)Nc2cc(C)n(CCC#N)n2)C1 271129578 MDUPSWAUQDZRAK-LBPRGKRZSA-N 303.366 1.302 30 50 DDEA CCOC(Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1)OCC 169936022 XOJUUYBIPJNLCT-UHFFFAOYSA-N 310.203 1.581 30 50 DDEA in-vitro CC[C@H]1CC[C@@H](C(=O)NS(=O)(=O)CC2(C#N)CCC2)O1 771081072 UERRGOBLZUGUJN-QWRGUYRKSA-N 300.380 1.084 30 50 DDEA C=CCOC(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O 2564710 NLBIRBKIAGDIBS-BDAKNGLRSA-N 303.311 1.692 30 50 DDEA in-vitro CCc1onc(C)c1N/C(O)=N/C[C@H]1CC(=O)N(C2CC2)C1 329322359 FKSUVQNPKQQKER-SNVBAGLBSA-N 306.366 1.882 30 50 DDEA C=CCCN1CCC(NC(=O)c2ccc(C(N)=O)cc2)CC1 328593409 YJIKQOYPZQHINX-UHFFFAOYSA-N 301.390 1.556 30 50 DDEA CCOc1ccc(NN=C(C(=O)N2CCCC2)C(N)=S)cc1 254533360 RGOOQRNKUBFSAS-UHFFFAOYSA-N 320.418 1.762 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H](C(=O)O)c2cccnc2)N=N1 1615000490 ALJOSLBPKFCLLI-CYBMUJFWSA-N 300.318 1.679 30 50 DDEA C=CCNS(=O)(=O)c1ccc(I)cc1 12343827 JVINXWDULSIWOF-UHFFFAOYSA-N 323.155 1.756 30 50 DDEA CCCS(=O)(=O)N1CC[C@H](n2ccc(N=C(C)O)n2)C1 328612051 NQQCPXNVXZBHCL-NSHDSACASA-N 300.384 1.478 30 50 DDEA N#Cc1ccc(O[C@@H]2CCN(C(=O)C3CCC(=O)CC3)C2)nc1 329328638 VAFKEQGOGVOCOQ-OAHLLOKOSA-N 313.357 1.692 30 50 DDEA Cc1ccccc1/C(O)=N/[C@@H](C(=O)N1CC(=O)N(C)C1)C(C)C 330751012 UWHUPTINRNCFFN-OAHLLOKOSA-N 317.389 1.582 30 50 DDEA COC[C@]1(C(N)=O)CCCN1Cc1ccc(C#N)cc1OC 591645207 FTWNSDCGHYQMBT-INIZCTEOSA-N 303.362 1.033 30 50 DDEA C#CCCC1(CCC(=O)Nc2nncn2-c2cccnc2)N=N1 2325893848 OUQARSFTKXNVKK-UHFFFAOYSA-N 309.333 1.957 30 50 DDEA C#CCCC1(CCNC(=O)Cn2cc(C3CCC3)nn2)N=N1 2325900337 ULTMJIJTAJFUMU-UHFFFAOYSA-N 300.366 1.627 30 50 DDEA CCN(CC)CCOS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 2892024 APSSVKAWSGYEKQ-UHFFFAOYSA-N 316.379 1.950 30 50 DDEA N#Cc1ccc(C(=O)NCCCc2nnc3ccccn23)cn1 115354091 MOKRJDZDGBLNFG-UHFFFAOYSA-N 306.329 1.359 30 50 DDEA Cc1nc(C(=O)N2CCN[C@H](c3ccncc3)C2)ccc1C#N 368524464 AYDPEEHUEUVHIL-INIZCTEOSA-N 307.357 1.443 30 50 DDEA N#Cc1cnc(NC[C@H]2CCN(C(=O)Cc3ccccc3)C2)cn1 373475185 JZUYWCWHJUHVAP-OAHLLOKOSA-N 321.384 1.851 30 50 DDEA N#Cc1ccccc1C(=O)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076034704 CLOQLHYVDJGSJC-CABCVRRESA-N 309.329 1.136 30 50 DDEA C[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1CO 189170656 PRVUCXGECZRWSR-SCZZXKLOSA-N 316.329 1.085 30 50 DDEA C[C@@H](CN(C)C)[C@H]1CCCCN1S(=O)(=O)CCCC#N 585114900 DWOHYCQVGDCRBE-UONOGXRCSA-N 301.456 1.672 30 50 DDEA CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccc2cc(C#N)ccc2n1 596435857 OSMRUZROSSONOD-UONOGXRCSA-N 317.370 1.330 30 50 DDEA C=CCNC(=O)[C@@H](C)N1CCC(Cc2ccc(O)nc2)CC1 1772808356 NXGQSOJWGVVXLN-CYBMUJFWSA-N 303.406 1.732 30 50 DDEA Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(N)=S 5730335 LQSUMKOCDWUHLT-UHFFFAOYSA-N 313.180 1.247 30 50 DDEA CCn1cnnc1[C@H]1CN(Cc2cc(C#N)cs2)CCO1 328644649 RXYPOECIEMVHAZ-CYBMUJFWSA-N 303.391 1.805 30 50 DDEA CCC(=O)NCc1c[nH]nc1[C@H]1CCN(c2ncccc2C#N)C1 952889881 NWWFYOXOOOYSPQ-ZDUSSCGKSA-N 324.388 1.696 30 50 DDEA CCNC(=O)[C@@H](CNc1ncccc1C#N)C1CCOCC1 1775959979 KULOQVYYEZUAGQ-AWEZNQCLSA-N 302.378 1.544 30 50 DDEA CN1CCN(Cc2cccc(C#N)c2)C[C@@]12CCNC(=O)CC2 107415179 SKUPUBHXUSDZFL-GOSISDBHSA-N 312.417 1.345 30 50 DDEA CN1CCN(CCC/N=C(\N)N(C)C)[C@@H](c2ccccc2)C1 245899571 KCVDBEAKWOHXDS-MRXNPFEDSA-N 303.454 1.242 30 50 DDEA N#C[C@@H]1COCCN1[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 248716640 FDBFUWGEARMUGH-RISCZKNCSA-N 323.755 1.809 30 50 DDEA CNC(C)(C)C(=O)NC[C@H]1CCN(Cc2ccccc2C#N)C1 67724392 DGCLBDLEAKMXLM-CQSZACIVSA-N 314.433 1.494 30 50 DDEA N#CCCN(CCC#N)C(=O)CN1CCc2cc(C#N)ccc21 328599696 SWJXUTNPCAAUDK-UHFFFAOYSA-N 307.357 1.577 30 50 DDEA Cc1nc(N2CCc3c(O)nn(C)c3C2)c(Cl)cc1C#N 600842326 OXXGKANYEOZCOE-UHFFFAOYSA-N 303.753 1.917 30 50 DDEA CC(C)C(=O)N1CCc2nc(N)c(C#N)c([C@H]3CCOC3)c2C1 72140514 ZGDFUSZGDOGKPD-NSHDSACASA-N 314.389 1.580 30 50 DDEA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(C#N)c[nH]1)C2 217527821 NJNNAZKBXGWELN-OAHLLOKOSA-N 313.361 1.572 30 50 DDEA CCn1nccc1N1CCC[C@@H](Nc2nccc(C#N)n2)C1=O 295050245 ONJCCRAEYDZHTQ-GFCCVEGCSA-N 311.349 1.172 30 50 DDEA CC(C)Cc1cc(C(=O)N2CCC[C@@](C)(C#N)C2)nc(N)n1 584884645 NCZYISYXFLAKON-INIZCTEOSA-N 301.394 2.023 30 50 DDEA COc1ccc(/C=N/N2CCOCC2)cc1CN1CCOCC1 19792538 HXUIWELMZZUCJS-QGOAFFKASA-N 319.405 1.194 30 50 DDEA N#Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)O)C2)cc1F 589974754 CUZMHOPIWIOVTI-PSASIEDQSA-N 310.306 1.005 30 50 DDEA Fc1cncnc1N/N=C/c1ccc(N2CCOCC2)s1 1875263557 JDPTVZIMNMKJGM-REZTVBANSA-N 307.354 1.960 30 50 DDEA C=CCOC(=O)NC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 66325955 QVBKKBXBABTQKZ-GFCCVEGCSA-N 322.317 1.278 30 50 DDEA Nc1nnc(CC/N=C(/O)[C@H]2CCCN(CC(F)(F)F)C2)o1 329099314 MFJWBHLEYAYYPM-QMMMGPOBSA-N 321.303 1.425 30 50 DDEA COC[C@](C)(CO)NCC(=O)Nc1ccc(C#N)c(Cl)c1 602933716 XYUADULXGIVKMD-AWEZNQCLSA-N 311.769 1.137 30 50 DDEA C=C(C)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 161089573 ORLXSOWHYQGHTR-AWEZNQCLSA-N 322.430 1.780 30 50 DDEA CC(C)CS(=O)(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1 585672387 KHZHSNOBXQGJNW-UHFFFAOYSA-N 314.216 1.016 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@](O)(CN(C)C)C2)N=N1 1875382132 RZJAVZCULVXNQQ-HNNXBMFYSA-N 306.410 1.257 30 50 DDEA O=C([C@@H]1CO1)N1CCN(Cc2nc3ccccc3s2)CC1 1875372565 IKLUUXCJJAURPK-LBPRGKRZSA-N 303.387 1.339 30 50 DDEA CN[C@@H](CC(C)(C)C)C(=O)NS(=O)(=O)CC(C)(C)C#N 2325777772 CDTPHGADCRHLLC-JTQLQIEISA-N 303.428 1.006 30 50 DDEA CO[C@]1(CN(C)C(=O)c2cc(C#N)c3n2CCCC3)CCOC1 2325799406 UTMIRHHABJYMPZ-KRWDZBQOSA-N 317.389 1.574 30 50 DDEA C#CCCC1(CCNC(=O)c2coc(-c3cnn(C)c3)n2)N=N1 2325891451 HIMOUKMKJJONBK-UHFFFAOYSA-N 312.333 1.771 30 50 DDEA CCN1CCN(C(O)=Nc2cnn(C)c2)C[C@@H]1c1ncc[nH]1 328623749 JLHVGVIWZUTLAA-GFCCVEGCSA-N 303.370 1.068 30 50 DDEA C[C@]1(C#N)CCCN(C(=O)Cc2ccc(OCCN)cc2)C1 426662430 OMVUMTMFURJPPG-QGZVFWFLSA-N 301.390 1.719 30 50 DDEA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cccc(C#N)c2)C1 286266944 FWXODIIZBLZSBK-IRXDYDNUSA-N 313.401 1.884 30 50 DDEA C=CCCN1CCN(CCNS(=O)(=O)c2ccccc2)CC1 585079839 WZCZQFLQHXMQGL-UHFFFAOYSA-N 323.462 1.159 30 50 DDEA N#Cc1ccccc1OCc1cn(C[C@]2(O)CCCOC2)nn1 603263069 ZZYGJFVRGZSWSP-MRXNPFEDSA-N 314.345 1.270 30 50 DDEA CCn1ncc(CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 839048456 DMNKHOMZRBKXLA-INIZCTEOSA-N 324.388 1.060 30 50 DDEA CC#CC(=O)N[C@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1875368142 UCPNSHISENUIQM-GFCCVEGCSA-N 310.394 1.276 30 50 DDEA CN1C(=O)C[C@@H](CNc2cnc(C#N)cn2)[C@@H]1c1ccncc1 886088666 HICYYJMKAJLTSD-LRDDRELGSA-N 308.345 1.375 30 50 DDEA N#Cc1cc(C(=O)NC[C@]2(C(=O)O)CCCO2)n2c1CCCC2 2325849281 KJYJMENUPIBMMP-INIZCTEOSA-N 317.345 1.060 30 50 DDEA N#Cc1ccccc1OC[C@H](O)CS(=O)(=O)c1ccccc1 1399236 GBEJSYUFDQLUED-AWEZNQCLSA-N 317.366 1.772 30 50 DDEA COc1ccc(C#N)cc1CN1CCC[C@@H]1[C@H]1COCC[C@H]1O 253395671 FRFVFVAGCFHWBG-BRWVUGGUSA-N 316.401 1.929 30 50 DDEA Cc1cscc1N=C(O)N1CCc2nn(C)c(=O)cc2C1 330087131 SSVALBWBFLSMNG-UHFFFAOYSA-N 304.375 1.754 30 50 DDEA N#Cc1c[nH]ccc1=N[C@H]1CCN(C(=O)COc2ccccc2)C1 370636594 UFEGKYALKWEOAU-HNNXBMFYSA-N 322.368 1.467 30 50 DDEA N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@@H]1C[C@@H]1C1CC1 160072503 URSGICCCFARAAJ-NXEZZACHSA-N 308.334 1.548 30 50 DDEA COc1ccc2c(c1)OC[C@H](CNC(=O)c1ccc(C#N)nc1)C2 92028791 IMXIADACMXAVEW-LBPRGKRZSA-N 323.352 1.943 30 50 DDEA CN(C)C(=O)C[C@]1(O)CCCN(c2ccc(Cl)c(C#N)n2)C1 591618448 QXQSTACDXJQIRU-OAHLLOKOSA-N 322.796 1.416 30 50 DDEA C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 8554593 OQIVULJAYRCYKQ-UHFFFAOYSA-N 317.370 1.798 30 50 DDEA CCC#CCn1nc([C@H]2CCCNC2)n(-c2ccccc2)c1=O 67740059 BBYLWOOKDBUSQZ-HNNXBMFYSA-N 310.401 1.914 30 50 DDEA N#Cc1ccc(NCC(=O)NCc2cccc3cc[nH]c23)nc1 346149017 JYNAUQWIMOCZDS-UHFFFAOYSA-N 305.341 2.163 30 50 DDEA C=CCNC(=O)[C@@H](C)N1CC[C@H](CNc2cccc(C)n2)C1 225344409 FPKVDLVFDDUPPD-HUUCEWRRSA-N 302.422 1.815 30 50 DDEA C[C@@H]1CN(c2cccc(C#N)n2)CC[C@@]1(O)C1CCOCC1 91452084 ZZZPSJZMXIBIOC-DYVFJYSZSA-N 301.390 1.957 30 50 DDEA CCn1cncc1CNC(=O)c1cccc(C#CC(C)(C)O)c1 952988295 PPGKOVOGOKJAIL-UHFFFAOYSA-N 311.385 1.955 30 50 DDEA C#CCn1cc(CNC(=O)CCNC(=O)OC(C)(C)C)cn1 408514993 ALQKLBMHAPEXDN-UHFFFAOYSA-N 306.366 1.047 30 50 DDEA CN(C)CCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 169743590 QWJUJXPYTLOKRL-UHFFFAOYSA-N 306.215 1.711 30 50 DDEA in-vitro C#C[C@](C)(CC)OC[C@@H](O)CN1CCC(C(=O)OCC)CC1 12421463 IVQWHXMMQXBEET-DOTOQJQBSA-N 311.422 1.441 30 50 DDEA C[C@H]1[C@@H](c2ccccc2)C(C#N)(C#N)[C@@]2(C#N)C[C@@]1(O)NC2=O 169414184 ZGJJMIGIWNLDBB-CQPIRRRNSA-N 306.325 1.172 30 50 DDEA N#CC1(C#N)[C@H](c2ccco2)N[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=O)N3 169516200 NCFNUHKADJSVFM-OSRSDYAFSA-N 321.340 1.484 30 50 DDEA COc1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)cc1C#N 331924309 LZKNBSUIBXOMHF-BRWVUGGUSA-N 316.401 1.929 30 50 DDEA CC(C)(C)OC(=O)NC(=N\CCN)/N=C(\O)OC(C)(C)C 25722284 GKQKBELHRNEGCI-UHFFFAOYSA-N 302.375 1.555 30 50 DDEA in-vitro C#CCCC1(CCC(=O)NC2CCN(C(=O)COC)CC2)N=N1 952880717 HMRUZDXUIUAWMC-UHFFFAOYSA-N 320.393 1.096 30 50 DDEA C=CCN1CCN([C@@H](C(=O)O)c2cc(F)ccc2OC)CC1 55053772 VUELKFUBZMVOJK-OAHLLOKOSA-N 308.353 1.764 30 50 DDEA OC(=Nc1cccc(-n2cnnc2O)c1)[C@@H]1C[C@]12CCOC2 330028065 NWYPUYMLORUOKT-WFASDCNBSA-N 300.318 1.988 30 50 DDEA CC(O)=Nc1ccn([C@H]2CCN(C(=O)[C@H]3CCCCO3)C2)n1 328614428 WAYFKQZOHCMXBX-QWHCGFSZSA-N 306.366 1.834 30 50 DDEA N#Cc1ccc([C@@H](O)CN2CCOC3(CCOCC3)CC2)cc1 364256604 ADTQSOJUSQLSGJ-KRWDZBQOSA-N 316.401 1.863 30 50 DDEA Cc1cccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)O)c1C#N 275166559 BJJJDAFOQXJOFP-SECBINFHSA-N 318.301 1.253 30 50 DDEA C#CCCCC(=O)Nc1ccc(C(=O)OC)cc1S(C)(=O)=O 585125627 ZDZRSVBEQFYIGV-UHFFFAOYSA-N 323.370 1.619 30 50 DDEA C=C(C)Cn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C 527547 IVZCUAHAZZWRRM-UHFFFAOYSA-N 317.393 1.236 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H](C)[C@H](C)N2CCOCC2)N=N1 952880406 FAVXFGYFSKDZCS-KBPBESRZSA-N 306.410 1.568 30 50 DDEA N#CC1CCN(C(=O)CN2C[C@@H](c3ccccc3)CC2=O)CC1 95529781 UPSWWLJCOBYCLM-INIZCTEOSA-N 311.385 1.765 30 50 DDEA CC1(C)OB(c2ccc(NC(=O)C(F)(F)F)nc2)OC1(C)C 200699842 NEGFQXBYNWXLEI-UHFFFAOYSA-N 316.088 1.882 30 50 DDEA C#C[C@@](C)(CC)OC[C@@H](O)CN1CCC(C(=O)OCC)CC1 12421465 IVQWHXMMQXBEET-RDJZCZTQSA-N 311.422 1.441 30 50 DDEA C=CCNC(=O)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 12571038 RURKMIBPKZXARL-AWEZNQCLSA-N 321.808 1.969 30 50 DDEA CNC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC 712336866 USBDFJFJCOIYLU-UHFFFAOYSA-N 306.171 1.746 30 50 DDEA CNC(=O)c1cc(O[C@@H]2CCN(c3ccc(C#N)cn3)C2)ccn1 373062533 FHYNROCADBSXEO-CQSZACIVSA-N 323.356 1.366 30 50 DDEA CNC(=O)[C@]1(COC)CCCN1Cc1cccc(C#N)c1F 591646900 NPJNADRKBBXDPD-MRXNPFEDSA-N 305.353 1.424 30 50 DDEA C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(C(N)=O)cc1 818027311 KVPJESSVHWSBNZ-CQSZACIVSA-N 300.358 1.925 30 50 DDEA C/C(=N/Nc1nc2ccccc2s1)C1C(=O)NC(=O)NC1=O 12362217 OXJBOTCXFUIYSI-FMQZQXMHSA-N 317.330 1.066 30 50 DDEA N#Cc1cccc2c(C(=O)N[C@H](CO)Cc3cnc[nH]3)c[nH]c12 2325856528 TWRPXRUCHAPWKF-LBPRGKRZSA-N 309.329 1.096 30 50 DDEA C=CCOc1ccc(/C=C2/NC(=S)N(C(C)=O)C2=O)cc1 4844763 NICXSKXTFOGUGJ-UKTHLTGXSA-N 302.355 1.856 30 50 DDEA CCOC(=O)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 170005202 VOKRHVQMTPYOHZ-UHFFFAOYSA-N 322.141 1.871 30 50 DDEA Cn1cc(C#N)cc1C(=O)N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 244719229 LZFAEIXDFHGVFV-FVQBIDKESA-N 324.384 1.404 30 50 DDEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(N)cc1OC 675050182 IULZETBBQCTBDP-UHFFFAOYSA-N 307.155 1.363 30 50 DDEA Cc1cccnc1C(=O)NS(=O)(=O)c1cccc(F)c1C#N 781602214 HTTXCWVAWIWQSM-UHFFFAOYSA-N 319.317 1.520 30 50 DDEA C#CCCC1(CCC(=O)N2CC[C@H](OC)C[C@H]2C(=O)O)N=N1 1615000497 BAQFLVWATWJNSQ-RYUDHWBXSA-N 307.350 1.433 30 50 DDEA C#CC(C)(C)OC[C@H](O)CN1CCN(c2ccccc2F)CC1 12381143 FJZDZIPSPHWLEP-OAHLLOKOSA-N 320.408 1.737 30 50 DDEA N#Cc1cccc(/C(O)=N/C[C@@H]2C[C@H](F)CN2CC(=N)O)c1 328603448 GANUFBBGKWDIPC-STQMWFEESA-N 304.325 1.811 30 50 DDEA CN(C)C(=O)C[C@@]1(O)CCCN(c2ccc(F)cc2C#N)C1 591618035 NHWASPQFYMZYRU-INIZCTEOSA-N 305.353 1.507 30 50 DDEA CC1(C)OB(c2ccc(S(=O)(=O)CF)nc2)OC1(C)C 1857786761 YCAMOYDXHLNCSR-UHFFFAOYSA-N 301.148 1.082 30 50 DDEA Cc1ccnc(N2CCC([C@@H](O)c3nccn3C)CC2)c1C#N 241588272 PBOZNOGKSZBORI-OAHLLOKOSA-N 311.389 1.945 30 50 DDEA Cc1noc([C@H]2C[C@@H](O)CN2Cc2cc(F)ccc2C#N)n1 275240083 FFNDFUOGKWUOEX-ZIAGYGMSSA-N 302.309 1.697 30 50 DDEA C#CCOCCOC(=O)NCc1nc(-c2cccc(O)c2)no1 1875289473 UUYHHPWTYINHMX-UHFFFAOYSA-N 317.301 1.318 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H]2COC[C@@H]2n2cccn2)N=N1 2325886309 IGASOUYTSOOXFS-OLZOCXBDSA-N 301.350 1.295 30 50 DDEA N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 100037890 QGJUIPDUBHWZPV-HXDJVDLCSA-N 315.417 1.158 30 50 DDEA fda CC(=O)N1C[C@@H](O)C[C@@H]1/C(O)=N/CCO[C@@H]1CCCC[C@H]1C 328588839 XBEOSKDFZWAJIZ-FAAHXZRKSA-N 312.410 1.520 30 50 DDEA CCOC(=O)[C@]1(COC)CCCN(c2cccc(C#N)n2)C1 281832442 KSHPNUDIXYKBQT-MRXNPFEDSA-N 303.362 1.749 30 50 DDEA CC(C)N1C(=O)N[C@@H]2CN(c3nc4ccccn4c3C#N)CC[C@@H]21 284513788 IFYLFIFHQVFKNN-OLZOCXBDSA-N 324.388 1.587 30 50 DDEA CN1C(=O)C[C@@H](CNC(=O)c2ccc(C#N)nc2)c2ccccc21 220526462 UBINGQLDBFOPPV-ZDUSSCGKSA-N 320.352 1.833 30 50 DDEA COCCCN1CC[C@@H](CNC(=O)c2cccc(C#N)c2)C1 299761586 LDWFHRNUICYFBY-HNNXBMFYSA-N 301.390 1.646 30 50 DDEA O=C(CN/C=C1/C(=O)Oc2ccccc2C1=O)Nc1ccccn1 828075303 CAFBRFOBGXAJOF-FMIVXFBMSA-N 323.308 1.296 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@H]32)N=N1 1616032969 YDIANRZLSHYQEQ-UMSGYPCISA-N 303.362 1.958 30 50 DDEA CCN(CCCN1CCOCC1)C(=O)c1cccc(C#N)c1 19811765 RQMOIDLPDXZQHF-UHFFFAOYSA-N 301.390 1.743 30 50 DDEA N#Cc1ccc(F)cc1CN1CCC[C@@H]1c1nc(C(N)=O)no1 328629224 HZKLVDCFIVNSQV-GFCCVEGCSA-N 315.308 1.516 30 50 DDEA N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2CN)cc1Cl 168978045 QWYKRCBOLYRFSB-MFKMUULPSA-N 313.810 1.617 30 50 DDEA N#Cc1c[nH]c(C(=O)N[C@@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)c1 244852893 VBFPBZZZEBBXJE-KKUMJFAQSA-N 310.357 1.393 30 50 DDEA O=C(O)CCCc1sc(/C(=N\O)C(=O)O)cc1[N+](=O)[O-] 5344156 LHTTUMYHHMMPPH-PKNBQFBNSA-N 302.264 1.327 30 50 DDEA C[C@@H](C#N)CN(C)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 247960775 FHQYUDWGYMEQOF-JKSUJKDBSA-N 314.433 1.815 30 50 DDEA C[C@H]1CN([C@H]2CCCN(CC(C)(C)C)C2=O)C[C@@H](C)N1CC#N 585116532 ZYHHUPXGUXZRET-XHSDSOJGSA-N 320.481 1.942 30 50 DDEA CNC(=O)[C@]1(COC)CCCN1Cc1ccc(C#N)cc1F 591627811 HPRUWPPZCPVOEA-MRXNPFEDSA-N 305.353 1.424 30 50 DDEA N#CC[C@@H](C(=O)N1CC(c2cc(CO)on2)C1)c1ccccc1 886085719 LPJNQUFTPLCZDM-OAHLLOKOSA-N 311.341 1.790 30 50 DDEA C#CCCC1(CCC(=O)NS(=O)(=O)c2ncccc2F)N=N1 2325900801 JVWATJMRXMLGGI-UHFFFAOYSA-N 324.337 1.381 30 50 DDEA C=CCOC[C@@H](O)CS(=O)(=O)Cc1ccc(Cl)cc1 2874934 KKWFBKLYOUOOQH-CYBMUJFWSA-N 304.795 1.818 30 50 DDEA C=CCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2C)cc1OCC 55254532 PIKULIHXMXSBDB-LBPRGKRZSA-N 318.373 1.611 30 50 DDEA C=CCOc1ccc(C(=O)N2CCNC(=O)[C@H]2C)cc1OCC 55254536 PIKULIHXMXSBDB-GFCCVEGCSA-N 318.373 1.611 30 50 DDEA O=C(N/C=N/O)NOCc1ncc(C(F)(F)F)cc1Cl 5756626 WBZCGJHFUJVFBD-UHFFFAOYSA-N 312.635 1.902 30 50 DDEA N#Cc1cccc(OCCN2CCN([C@H]3CCC[C@@H]3O)CC2)c1 363731561 SGLJPJZWJMOBRP-ROUUACIJSA-N 315.417 1.468 30 50 DDEA Cc1cc(C#N)nc(N[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 376171421 HTLPWRQNMVLGRM-HNNXBMFYSA-N 307.357 1.870 30 50 DDEA Cc1cc(C#N)cc(NC[C@H](O)CN2CCc3ccccc3C2)n1 338798310 VPQARROSTMMGJP-SFHVURJKSA-N 322.412 2.093 30 50 DDEA COC[C@H]1CN(C(=O)c2ccccc2OCC#N)CC(C)(C)O1 284951193 DZSWZWFKOSCFKA-CYBMUJFWSA-N 318.373 1.855 30 50 DDEA COc1ccc2oc(=O)cc(CN3CCN(CC#N)CC3)c2c1 20259468 SNSLWYYRWSYDQI-UHFFFAOYSA-N 313.357 1.443 30 50 DDEA biogenic,in-vitro C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](CN2CCCCC2)C1 229838867 RXCBKCLHBHJKCV-CVEARBPZSA-N 306.454 1.555 30 50 DDEA CCOC(=O)[C@@]1(CC#N)CN(Cc2ccccc2)CCC1=O 309655059 IOBRFXVBKUFZBL-KRWDZBQOSA-N 300.358 1.925 30 50 DDEA in-vitro O=C(C/N=C(/O)c1cccnc1)N1CCC[C@@H]1C1CCOCC1 329492494 TZOPHOYQCODLNI-OAHLLOKOSA-N 317.389 1.804 30 50 DDEA C=C[C@H](CO)NC(=O)c1nc(C(C)C)ncc1Br 826588248 SBGDYZQBEPHFFA-MRVPVSSYSA-N 314.183 1.639 30 50 DDEA C=CCNC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 2966588 MQPOCEVMRRRSJS-UHFFFAOYSA-N 316.810 1.717 30 50 DDEA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc2c(c1)OCO2 100722346 PJMJPIBHOLSXEM-JQEZKTESSA-N 310.309 1.556 30 50 DDEA C=CCOc1ccc(C(=O)N2CC3(CNC(=O)O3)C2)cc1OC 408521863 VLIVDVNNUNOFMW-UHFFFAOYSA-N 318.329 1.194 30 50 DDEA N#CCCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 278140701 WKTMPXAJMJQNET-UHFFFAOYSA-N 300.240 1.459 30 50 DDEA C[C@@H]1CN(CCCNC(=O)c2ccc(F)c(C#N)c2)C[C@@H](C)O1 278768267 WWFMGTFCRSAGKT-CHWSQXEVSA-N 319.380 1.926 30 50 DDEA COc1ncncc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 592514490 DJYGLWWSEVTOQE-AWEZNQCLSA-N 311.345 1.405 30 50 DDEA N#Cc1cnc(N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)cn1 576416535 BPOONCBPTXKFPK-PBHICJAKSA-N 320.356 1.660 30 50 DDEA N#Cc1ccc(OCCN2CCC[C@](O)(c3cnn[nH]3)C2)cc1 583618067 ZKECJARTZHQTIP-MRXNPFEDSA-N 313.361 1.039 30 50 DDEA CN1C(=O)CCc2cc(C(=O)N3CSC[C@H]3C#N)ccc21 1615614992 LUNHOHYWDHCVGF-GFCCVEGCSA-N 301.371 1.634 30 50 DDEA C=CCn1c(CNC(=O)c2ccc(COC)o2)nnc1SC 11880645 JTMBNPOAYFRIRM-UHFFFAOYSA-N 322.390 1.855 30 50 DDEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC(C(=O)O)CC2)s1 4418138 OBENOXQFJZXHRI-UHFFFAOYSA-N 321.398 1.807 30 50 DDEA COC(=O)Cn1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 2325904022 FURYMKIUBKMIMV-UHFFFAOYSA-N 316.166 1.509 30 50 DDEA Cc1ccc(C/C(O)=N/C[C@@H]2C[C@H](F)CN2CC(=N)O)cn1 328603940 HNWMGKRSCFGASP-STQMWFEESA-N 308.357 1.837 30 50 DDEA CN(C)C[C@H]1COCCN(Cc2ccc(C#CCO)cc2)C1 215474456 RWOSGADOEIWGJY-GOSISDBHSA-N 302.418 1.040 30 50 DDEA Nc1nnc(CC/N=C(/O)C(F)(F)c2ccccc2F)o1 328592128 PDYLVCRSFWHECY-UHFFFAOYSA-N 300.240 2.082 30 50 DDEA CCn1cc([C@H]2OCC[C@@H]2N/C(O)=N/CCn2cccn2)cn1 328626084 LIHXWVISTGJTSJ-UONOGXRCSA-N 318.381 1.133 30 50 DDEA CN(Cc1nccn1C)[C@@H]1CCN(c2sccc2C#N)C1=O 299650901 KYLCRIOPKZIYDD-GFCCVEGCSA-N 315.402 1.591 30 50 DDEA COCc1cccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c1 185131153 VEBPOWJRPIIPJX-CQSZACIVSA-N 310.375 1.136 30 50 DDEA CN1C[C@H](CNc2nc3c(cc2C#N)CCCC3)OCC1=O 826773331 RIPLKTRNJUTHKN-ZDUSSCGKSA-N 300.362 1.101 30 50 DDEA Cc1c(C#N)c(NS(=O)(=O)c2cn(C(C)C)cn2)nn1C 585129480 LDAGRISNYAGGKD-UHFFFAOYSA-N 308.367 1.178 30 50 DDEA C=CCn1ncc(CN2C[C@H](Cc3cc(C)no3)[C@@H](O)C2)c1C 1615747964 QKPIHKOKYUYPBF-YOEHRIQHSA-N 316.405 1.709 30 50 DDEA N#Cc1cc(Br)cnc1N1C[C@@H](F)C[C@@H]1CO 590698716 VXTJYLMSBLGUBK-VHSXEESVSA-N 300.131 1.625 30 50 DDEA Cc1ccnc(N=C(O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)c1 328616076 BIRVFDDJKQSIAP-GFCCVEGCSA-N 300.366 1.647 30 50 DDEA Cn1cc(C#N)cc1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 360735028 PSOOMQQFIOTHLH-KRWDZBQOSA-N 320.352 1.982 30 50 DDEA CN1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(F)c3)C[C@@H]21 580157039 HBVACRXDAVFDLO-RISCZKNCSA-N 309.366 1.022 30 50 DDEA C#CC[C@H](CO)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 864095375 IEVZMEZHWIFGIR-KGLIPLIRSA-N 321.446 1.568 30 50 DDEA C=C1CC(CC(=O)N2CCC[C@@H]2Cn2cc(C(=O)O)nn2)C1 2325788371 BGRGKJHPZDRFJD-GFCCVEGCSA-N 304.350 1.324 30 50 DDEA C#CCOCc1ccc(COc2nc(N)nc3nc[nH]c23)cc1 201208447 LZDBKQCASZCNSH-UHFFFAOYSA-N 309.329 1.664 30 50 DDEA Cc1cc(C[C@@H]2CN(c3cc(C)c(C#N)c(C)n3)C[C@H]2O)on1 2356143497 KGIFOLHYQAIZGJ-CZUORRHYSA-N 312.373 1.906 30 50 DDEA N#Cc1c[nH]c(=NC[C@H]2CCN(C3CCCCC3)C2)nc1N 584884591 IRTDYWAWCDGUGN-GFCCVEGCSA-N 300.410 1.419 30 50 DDEA C=CCn1ncc(CN2C[C@@H](O)[C@H](Cc3cc(C)no3)C2)c1C 1529181849 QKPIHKOKYUYPBF-RHSMWYFYSA-N 316.405 1.709 30 50 DDEA CC(C)(C#N)CCn1cnc2c(nnn2-c2ccccc2)c1=O 412996327 UQJPOXVJOISACI-UHFFFAOYSA-N 308.345 1.917 30 50 DDEA COc1ncc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)cn1 67694584 RDDBHLXGPJMCKD-GXFFZTMASA-N 322.372 1.692 30 50 DDEA CN(Cc1cnc(N(C)C)nc1)C(=O)c1cc(C#N)cs1 356837422 NXJKYDHBIGXMIK-UHFFFAOYSA-N 301.375 1.748 30 50 DDEA CCS(=O)(=O)N(C)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O 7999092 HVSJHHXUORMCGK-KGLIPLIRSA-N 324.402 1.413 30 50 DDEA biogenic,in-vitro N#Cc1c[nH]c(C(=O)N2CCCN(C(=O)C3CCC3)CC2)c1 426387137 SQASTQYEALHSDN-UHFFFAOYSA-N 300.362 1.361 30 50 DDEA N#Cc1c[nH]c(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)c1 370065149 AQYJZZXJGXMXBH-UHFFFAOYSA-N 312.329 1.468 30 50 DDEA Cc1cc(C#N)nc(NC[C@@H]2OCCN(C)[C@H]2c2ccccc2)n1 583617568 XMDQODJSLOZDFY-IRXDYDNUSA-N 323.400 2.141 30 50 DDEA C#CCCCC(=O)Nc1c(C(=O)OC)nnn1-c1ccccc1 585125002 CQSJTFXAAUUHIN-UHFFFAOYSA-N 312.329 1.796 30 50 DDEA N#CCCN(C(=O)Cn1ccnn1)C12CC3CC(CC(C3)C1)C2 133698605 KQAXLSRDWNVALJ-UHFFFAOYSA-N 313.405 1.989 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@H](N3CCCC3=O)C2)N=N1 952881593 OKUIAEINTFSLQO-AWEZNQCLSA-N 316.405 1.956 30 50 DDEA C=C1CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1 898689062 DYCOJTUTPHDXJD-UHFFFAOYSA-N 314.794 1.359 30 50 DDEA CC(=O)C1=C(O)C(=O)N(CCC(=O)O)[C@@H]1c1ccc(F)cc1 210182 YGZFRFFCIKGRID-CYBMUJFWSA-N 307.277 1.585 30 50 DDEA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(CC#N)cc2)C1 65363772 MCJCMXLHSWWMNU-CYBMUJFWSA-N 321.402 1.363 30 50 DDEA N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCCNCC1 366947886 ZFZAFHFASAJKME-JTQLQIEISA-N 313.810 1.632 30 50 DDEA CN(C)c1nc2sc(C(=O)N3CCOC[C@@H]3C#N)cc2s1 175891075 LXBIPOVJSZBNDN-QMMMGPOBSA-N 322.415 1.788 30 50 DDEA O=C1CN(Cc2ccc(C#CCO)cc2)CCN1c1ccccc1 82121979 MCENKQQTVLQOQY-UHFFFAOYSA-N 320.392 1.879 30 50 DDEA N#Cc1cccc(C(=O)N[C@H](C2CCNCC2)[C@H]2C[C@H](O)C2)c1 244695578 JPBDQXFTMMEULO-BRWVUGGUSA-N 313.401 1.427 30 50 DDEA C=C(C)CN1CCC(NC(=O)c2c(C)c(C)nn(C)c2=O)CC1 271048793 PVRACRZHXDNIKG-UHFFFAOYSA-N 318.421 1.167 30 50 DDEA COc1ccc(CN[C@H]2CCO[C@@H]2c2nccn2C)cc1C#N 275609335 QWYJHCUCNYTRSO-HOCLYGCPSA-N 312.373 1.920 30 50 DDEA NC(=S)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 3099413 SCEPZNMDYSCHJG-QDEBKDIKSA-N 319.140 1.230 30 50 DDEA CNc1cc(N2CCC[C@@H]2CNc2cc(C#N)cc(C)n2)ncn1 340014852 NXWLKTSRJZCIKU-CQSZACIVSA-N 323.404 2.174 30 50 DDEA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2cc(C#N)ccc2F)C1 591644657 FTCQTHSWGNNIQD-KRWDZBQOSA-N 319.380 1.503 30 50 DDEA O=C(O)CCNC(=O)c1ccc(C#CC2(O)CCCCC2)cc1 477067 VJXAGHYAJHJXBD-UHFFFAOYSA-N 315.369 1.938 30 50 DDEA CC1(C)CC(=O)C2=C(C1)O[C@]1(O)c3ccccc3C(=O)[C@@]21O 518709 XTAJCEXGQZCDRE-DLBZAZTESA-N 300.310 1.433 30 50 DDEA biogenic Cc1nc([C@H](C)NC(=O)c2cccc(C#CC(C)(C)O)c2)n[nH]1 67868615 ZIWNICAINHEWRS-NSHDSACASA-N 312.373 1.727 30 50 DDEA CC(=O)C[C@H]1NC(=O)C([N+](=O)[O-])=C(Sc2ccccc2)N1 170621883 ZSUGSMLCTDRKQL-JTQLQIEISA-N 307.331 1.249 30 50 DDEA C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(-n2nccn2)cc1 154673358 CKYPCHOBTYPJBQ-UHFFFAOYSA-N 313.361 1.630 30 50 DDEA CCC(=O)NCc1cc2n(n1)CCN(Cc1ccc(C#N)cc1)C2 299795010 KEDOVWJTUXNFMW-UHFFFAOYSA-N 323.400 1.797 30 50 DDEA Cn1cnnc1[C@H]1CN(Cc2ccc(C#N)cc2F)CCO1 328624530 CLQXGDAGMBZUOF-CQSZACIVSA-N 301.325 1.399 30 50 DDEA C[C@@H]1CC[C@@H](C(=O)O)CN1S(=O)(=O)c1ccccc1C#N 263528468 VGJAECGVLUEEAD-ZYHUDNBSSA-N 308.359 1.432 30 50 DDEA Cn1c(CO)nnc1CC1CCN(c2cccc(C#N)n2)CC1 82127647 IRYFYKVKEZDKSJ-UHFFFAOYSA-N 312.377 1.033 30 50 DDEA CCC[C@H]1CN(c2ncccc2C#N)C[C@@H]1NS(C)(=O)=O 91625623 DTGWSCLALSWQSR-STQMWFEESA-N 308.407 1.107 30 50 DDEA CN1CCc2ccc(N=C(O)[C@H]3CCC(=O)N3C)cc2C1=O 329556799 QJPLPPJFLSCQPK-CYBMUJFWSA-N 301.346 1.524 30 50 DDEA C=CCNC(=O)[C@H](C)N1CCc2cc(OC)c(OC)cc2CC1 138736590 DOPXUTLBYKCNPO-ZDUSSCGKSA-N 318.417 1.795 30 50 DDEA CC(=O)N1CCO[C@@H]2CCN(c3nc(C)cc(C)c3C#N)C[C@@H]21 886027719 JGAQNEAYKFZGGM-JKSUJKDBSA-N 314.389 1.396 30 50 DDEA C#CCCC1(CCNC(=O)c2ccnc(Cn3cnnc3)c2)N=N1 2325891688 WAZLGSFAKGVYJN-UHFFFAOYSA-N 323.360 1.417 30 50 DDEA Cc1cc(C[C@@H]2CN(c3cc(C)c(C#N)c(C)n3)C[C@H]2O)n[nH]1 2356154187 LXCBEXNBTDONMI-CZUORRHYSA-N 311.389 1.641 30 50 DDEA O=C(O)C[C@@H]1SC(N/N=C/c2ccc(Cl)cc2)=NC1=O 6975125 QXQDXPYEAMYLBE-RGEMTFFCSA-N 311.750 1.736 30 50 DDEA C=CC[C@H]1N(C(=O)CNS(=O)(=O)CC)CCCC1(C)C 330952412 FGZMAXIMCIIXDT-GFCCVEGCSA-N 302.440 1.519 30 50 DDEA C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)CC1(O)CCOCC1 602845223 ILSIZFHQAHNSCK-RHSMWYFYSA-N 318.417 1.844 30 50 DDEA CC(C)N1[C@H]2CC[C@H]1CN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2 374064518 DVHCNARFDSATNK-BQFCYCMXSA-N 320.481 1.988 30 50 DDEA Cc1nc(N2CCC[C@@H](CN3CCOCC3)C2)ccc1C#N 291993549 QRZPEMXHGGBLSM-HNNXBMFYSA-N 300.406 1.810 30 50 DDEA Cn1cc([C@@H]2CN(c3cccc(F)c3C#N)C[C@H]2CO)cn1 277967687 LCKJKQCSVBVIFC-JSGCOSHPSA-N 300.337 1.643 30 50 DDEA C=CCN1C[C@@H]2[C@H](CNC(=O)c3occc3C)[C@H]3CC[C@]2(C1)O3 1857726824 DSTRSUXMPRPEPJ-LUXYFRNMSA-N 316.401 1.983 30 50 DDEA N#Cc1ccc(N2CCC[C@](O)(C(N)=O)C2)c(Br)c1 284736897 WIJWCFCVOCMHBF-CYBMUJFWSA-N 324.178 1.137 30 50 DDEA CO[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2C#N)C12CCC2 416555746 FIOONDBCSDZQPL-KGLIPLIRSA-N 306.387 1.794 30 50 DDEA CNC(=O)c1ccc([C@H]2CCCCN2c2cnc(C#N)cn2)n1C 328628938 OFFLTFTXQUPSGZ-CQSZACIVSA-N 324.388 1.778 30 50 DDEA COc1cc2c(cc1OC)C1=NC(=O)CN1C(SCC#N)=N2 6181620 GBDYXNMPXNTMIP-UHFFFAOYSA-N 316.342 1.550 30 50 DDEA C=CCN(CC(=O)O)S(=O)(=O)C[C@@H]1CCCCC1(F)F 297103181 ZIDDFYVQBVYOBO-JTQLQIEISA-N 311.350 1.714 30 50 DDEA N#Cc1cccc(C(=O)N2CCC(NC(=O)NC3CC3)CC2)c1 586101478 PYCSKJSMEYMXQS-UHFFFAOYSA-N 312.373 1.624 30 50 DDEA COc1nccc(N[C@H]2CCOC[C@@H]2OCC2CC2)c1C#N 1565508061 PSDMXAHLMNCFBU-GJZGRUSLSA-N 303.362 1.958 30 50 DDEA CN1CCC[C@@H](CN=c2cc[nH]cc2C#N)[C@@H]1c1cncn1C 583619022 VRAXJRHVIZCNCS-SUMWQHHRSA-N 310.405 1.604 30 50 DDEA C#CCCC1(CCC(=O)N2CC[C@H](N3CCN(C)CC3)C2)N=N1 952880940 IWNOIMRMIUHIIO-HNNXBMFYSA-N 317.437 1.190 30 50 DDEA C=CCn1nc(Cn2nccn2)nc1-c1cnc(C(C)(C)C)[nH]1 1875331411 ZBRBVCJAKJADBR-UHFFFAOYSA-N 312.381 1.792 30 50 DDEA C=CCN(CC=C)C(=O)CN1CCCN(c2ccncc2)CC1 65373996 FSUJHHYPHLDLBE-UHFFFAOYSA-N 314.433 1.794 30 50 DDEA Cc1cc(CN[C@H]2CCCN(S(C)(=O)=O)C2)ccc1C#N 331307186 XHYHFLMXUTWGGY-HNNXBMFYSA-N 307.419 1.380 30 50 DDEA CC(=O)N1CCO[C@@H](CNc2nc(C(C)C)ccc2C#N)C1 584891550 PVKAPYFBOZFPCX-AWEZNQCLSA-N 302.378 1.736 30 50 DDEA C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CS(=O)(=O)C12CCCCC2 2325778745 MXKJGEFVKNOODV-WDEREUQCSA-N 320.842 1.072 30 50 DDEA CCN1CCN(C(=O)c2ccc(C#N)cn2)C[C@H]1c1nccn1C 328636501 VNAFWAFUKWKMFR-HNNXBMFYSA-N 324.388 1.206 30 50 DDEA Cc1noc([C@H](/N=C(/O)c2nonc2C)C2CCOCC2)n1 328609741 FQSNLHIOZHVITK-LLVKDONJSA-N 307.310 1.542 30 50 DDEA Cn1ccc2ccc(N=C(O)[C@H]3CCS(=O)(=O)C3)cc2c1=O 328931675 ZUJWBZJXISFUKY-NSHDSACASA-N 320.370 1.561 30 50 DDEA C[C@H](O)Cc1cn(C2CCN(c3ncccc3C#N)CC2)nn1 19812497 QSNRBIFTIVIFMD-LBPRGKRZSA-N 312.377 1.310 30 50 DDEA Cc1ccc(C#N)c(N2CC[C@]3(CCCN(CCO)C3=O)C2)n1 91416466 GHMACIFPWCTEGB-QGZVFWFLSA-N 314.389 1.073 30 50 DDEA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@@H]2c1ccccc1 13147383 MJVVGYPTALETFP-NVBFEUDRSA-N 313.353 1.942 30 50 DDEA CC(O)=Nc1ccn([C@H]2CCN(c3ncnc4[nH]cnc34)C2)n1 328615503 YTPNHPHAZKBHSX-JTQLQIEISA-N 312.337 1.609 30 50 DDEA N#CCc1cccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 332013993 YAYSYWOFEHQSCP-BRWVUGGUSA-N 314.385 1.755 30 50 DDEA C[C@H]1CC(=NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)NO1 831398590 DPAITQXMQWUBCT-VIFPVBQESA-N 301.346 1.793 30 50 DDEA Cc1cc(NC(=O)COC(=O)[C@]2(C#N)C[C@H]3CC[C@H]2C3)n(C)n1 885907252 BMSWUPBCQAJGTB-MKBNYLNASA-N 316.361 1.540 30 50 DDEA C[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(F)cc1C#N 365583654 AUTLAPXGPWVRNR-ZDUSSCGKSA-N 312.322 1.325 30 50 DDEA C=CCNC(=S)NNC(=S)Nc1ccc(F)cc1F 5041354 UKVQAOKKMKFJGO-UHFFFAOYSA-N 302.375 1.816 30 50 DDEA O=C(C#Cc1ccc(C(F)(F)F)cc1)NCC(=O)N1CCCC1 191633561 FLOZZJJBUAASOG-UHFFFAOYSA-N 324.302 1.796 30 50 DDEA N#Cc1cccc(C2(C(=O)NCCc3ccnc(N)c3)CC2)c1 1615055562 CSIDKCDXJFLMQP-UHFFFAOYSA-N 306.369 1.926 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)N=N1 952880412 FAVXFGYFSKDZCS-UONOGXRCSA-N 306.410 1.568 30 50 DDEA C#CCCC1(CCC(=O)N2CCn3c(nnc3C3CC3)C2)N=N1 952882531 VBGNRDKXOFJHJY-UHFFFAOYSA-N 312.377 1.853 30 50 DDEA C#CCCC1(CCNC(=O)CCCc2nnc(C)n2C)N=N1 2325890921 DANHGOAHBDOQTB-UHFFFAOYSA-N 302.382 1.528 30 50 DDEA CC(C)(C)OC(=O)N1CC[C@@H](COS(C)(=O)=O)[C@@H](F)C1 71624250 DVADQFSVWWQVQN-UWVGGRQHSA-N 311.375 1.558 30 50 DDEA C#CC(C)(C)N(C)S(=O)(=O)c1cnn(-c2ccccc2)c1 170616359 GVDXCTLLOVJENN-UHFFFAOYSA-N 303.387 1.905 30 50 DDEA COC(=O)[C@@H]1CCCN2C(=O)N(c3ccc(C#N)cc3)C(=O)[C@H]12 170613768 OQZRHGMABLTKLC-OLZOCXBDSA-N 313.313 1.278 30 50 DDEA CCc1nnc(Cn2c(C)c(Br)cc(C#N)c2=O)o1 185933241 FFUVXLNMXMZABT-UHFFFAOYSA-N 323.150 1.785 30 50 DDEA C=CCn1nc(C)c(CN2C[C@H]3CCCN3C(=O)[C@H]2C)c1C 1772703740 JASFQKRTNXVWLV-HUUCEWRRSA-N 302.422 1.881 30 50 DDEA C#CCCC1(CCC(=O)N2CC(OC)(c3nccn3C)C2)N=N1 2325892330 JJOIMXJRSURTKY-UHFFFAOYSA-N 315.377 1.460 30 50 DDEA C#CCCC1(CCC(=O)N2CCO[C@@H](c3ncc[nH]3)C2)N=N1 2325899890 CRWTYTYGYRTXJS-GFCCVEGCSA-N 301.350 1.665 30 50 DDEA CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc(F)cc(C#N)c1 67947723 MFYZDOIBLFWPOR-MRXNPFEDSA-N 319.380 1.880 30 50 DDEA CC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1nnc(C)c(C)c1C#N 229551165 UZNIZRCKOLNKGA-HZPDHXFCSA-N 313.405 1.945 30 50 DDEA C[C@@H]1CC[C@H](/C(O)=N/C[C@@H]2C[C@H](F)CN2c2cccnn2)O1 328629718 IOGASMRGVDSOQA-MROQNXINSA-N 308.357 1.917 30 50 DDEA CCn1ccnc1[C@H]1OCC[C@@H]1N/C(O)=N/CCn1cccn1 328617018 CHBWPFALVUXXFA-STQMWFEESA-N 318.381 1.133 30 50 DDEA CNS(=O)(=O)c1ccc(/C(O)=N/[C@]2(C)CC=CCC2)cn1 331354203 PLDOVZRBVXPFPE-CQSZACIVSA-N 309.391 1.793 30 50 DDEA COC(=O)[C@H]1CCCN2C(=O)N(c3ccc(C#N)cc3)C(=O)[C@@H]12 170613772 OQZRHGMABLTKLC-QWHCGFSZSA-N 313.313 1.278 30 50 DDEA Cc1ncc2c(c1C#N)CCN(C(=O)[C@H]1CCn3nccc3C1)C2 1875251087 VOQRBPCHABVBPM-ZDUSSCGKSA-N 321.384 1.606 30 50 DDEA C=CCN(CC(F)(F)F)C(=O)c1ccc2[nH]c(=O)[nH]c2n1 253404589 AUBSSKIHLGUZGH-UHFFFAOYSA-N 300.240 1.442 30 50 DDEA C#CCCC1(CCC(=O)N[C@@]2(CC(=O)O)CCCOC2)N=N1 952876472 RTBYQVMFTJUMKW-CQSZACIVSA-N 307.350 1.482 30 50 DDEA CC(=O)N1CCO[C@@H]2CCN(c3c(C#N)cccc3C#N)C[C@H]21 886051574 GQAMCKSYEQIZKB-HZPDHXFCSA-N 310.357 1.256 30 50 DDEA C=CCSCC(=O)N1CCN(C(=O)c2ccccc2)CC1 44310741 CFBNYRMKDWBWCN-UHFFFAOYSA-N 304.415 1.890 30 50 DDEA CC#CCNC(=O)Nc1c(I)cnn1C 585119537 KCJYWUVPALBQLJ-UHFFFAOYSA-N 318.118 1.170 30 50 DDEA C[C@@]1(C(=O)O)CCCN1S(=O)(=O)c1ccsc1C#N 593270437 WZBZSQZDAHEOLU-NSHDSACASA-N 300.361 1.248 30 50 DDEA CN(CC#N)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 265206005 KGDNXQKHTAUQDF-TZMCWYRMSA-N 305.765 1.841 30 50 DDEA C#CCCC1(CCC(=O)N2CCOC[C@H]2c2ccnn2C)N=N1 952882482 UOTFAGUVNZCTQS-AWEZNQCLSA-N 315.377 1.676 30 50 DDEA C=C[C@@](C)(O)CC(=O)N1C[C@H](C)[C@H](n2cc(/C=C/C)nn2)C1 1875323375 GFAYKLWMUPVZKO-FLBISSIYSA-N 304.394 1.658 30 50 DDEA C#CCCC1(CCC(=O)N2CC[C@H](c3nccc(O)n3)C2)N=N1 2325892879 NNDFGTHTHHGEBW-LBPRGKRZSA-N 313.361 1.854 30 50 DDEA C#CCCC1(CCNC(=O)CCCn2ccc(C(=O)O)n2)N=N1 2325900795 JMFVKKUZMHSANE-UHFFFAOYSA-N 317.349 1.443 30 50 DDEA C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)NC1=S 2697465 NKZNSARNRMHFGZ-LLVKDONJSA-N 323.805 1.940 30 50 DDEA C=C(C)COc1cccc(NC(=O)N2CC[C@@](O)(CO)C2)c1 97437035 SQJTVKXAXOBHJK-INIZCTEOSA-N 306.362 1.603 30 50 DDEA CN(CC(=O)N(c1cccc(C#N)c1)C1CCC1)S(C)(=O)=O 585125707 CFOVULQFZYDPEI-UHFFFAOYSA-N 321.402 1.335 30 50 DDEA N#Cc1ccc(CN2CCC[C@H](c3nc(O)n[nH]3)C2)cc1F 377587853 ZXPPPZGBOZZODS-LBPRGKRZSA-N 301.325 1.901 30 50 DDEA CCn1cnnc1[C@H]1CN(/C(O)=N/C(C2CC2)C2CC2)CCO1 328626185 LLXHGDOUWKAGLP-CYBMUJFWSA-N 319.409 1.774 30 50 DDEA O[C@@H]1[C@H]2C[C@@H]3[C@@H]4[C@@H]2C[C@H]([C@@H]4O)N(CC#Cc2ccc(F)cc2)[C@H]13 239527637 ATNQZVHBGMHQGU-SUHWBHAHSA-N 313.372 1.238 30 50 DDEA N#Cc1cccc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)c1 299760594 PRUILAGCZRZEEX-LSDHHAIUSA-N 309.329 1.136 30 50 DDEA C[C@H](CN(C)C)[C@H]1CCCCN1S(=O)(=O)CCCC#N 585114901 DWOHYCQVGDCRBE-ZIAGYGMSSA-N 301.456 1.672 30 50 DDEA C=CCN(C)c1nnc([C@H]2CCCCO2)n1C[C@H]1COCCO1 888101096 ZRHFAMDKKSVHAY-UONOGXRCSA-N 322.409 1.557 30 50 DDEA C[C@H](/N=C(/O)N1CCO[C@H](c2nncn2C)C1)c1cccs1 328634227 TUZLVPFMBPBLAB-QWRGUYRKSA-N 321.406 1.925 30 50 DDEA N#Cc1cc2c(nc1N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1)CCC2 375239970 MQULLXLFMKKOSR-GHMZBOCLSA-N 324.306 1.542 30 50 DDEA 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CCCNc1cc(N2CCC3(CC2)C[C@]3(C#N)CO)ncn1 2325775621 RZLFUVAZAIAEQX-INIZCTEOSA-N 301.394 1.791 30 50 DDEA N#Cc1cccc(CN2CCC[C@@](O)(C(=O)N3CCCC3)C2)c1 344784304 AIURLVBAGWYTRA-SFHVURJKSA-N 313.401 1.508 30 50 DDEA C[C@@H]1CNC(=O)CCN1Cc1ccc(C#CC(C)(C)O)cc1 65385534 NJLLABBMATZNCX-CQSZACIVSA-N 300.402 1.519 30 50 DDEA N#Cc1ccc(CN2CC[C@H](S(=O)(=O)NC3CC3)C2)c(F)c1 120770144 MSCFZIQPGVLJOF-AWEZNQCLSA-N 323.393 1.353 30 50 DDEA Cc1ncccc1O[C@H]1CCN(S(=O)(=O)CC2(C#N)CC2)C1 328616623 BWQREXCCEWJYBE-ZDUSSCGKSA-N 321.402 1.477 30 50 DDEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/N=C(/O)Nc1ccn(C)n1 328618068 DISFSPCHCPMEET-FZMZJTMJSA-N 318.381 1.627 30 50 DDEA C#CCN1CCN(c2ncc(Br)c(NC)n2)CC1 131881600 JXGCWEBSFLFGRB-UHFFFAOYSA-N 310.199 1.036 30 50 DDEA COc1ccc(CNC[C@H]2CN(C3CC3)CCO2)cc1C#N 174364201 WBYCTBMNHKRNGB-INIZCTEOSA-N 301.390 1.520 30 50 DDEA C=CCn1c(CN)nnc1SCc1cc(=O)c(OC)co1 426517581 MEEQBQZQXNBPHB-UHFFFAOYSA-N 308.363 1.177 30 50 DDEA C=CCn1c(SCC(=O)N(C)C2CCCCC2)n[nH]c1=O 268313051 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N#Cc1nccnc1N1CCC2(CC1)C[C@@H]2C(=O)N1CCCC1 241816012 SEWOYAXFUPGYJJ-CYBMUJFWSA-N 311.389 1.577 30 50 DDEA CCC#CCN1CCC[C@H](CNC(=O)Cn2cc(C)cn2)C1 952977865 LFFNHXHKESHTEG-MRXNPFEDSA-N 302.422 1.433 30 50 DDEA N#Cc1cc2cccnc2nc1N1CCO[C@H]([C@H]2CCCO2)C1 596157513 WUNJRLMDBJVXBV-CABCVRRESA-N 310.357 1.886 30 50 DDEA C=CCOC[C@H](O)CN1CCN(c2ccccc2OC)CC1 20707295 MVSZZGFTGMCPDL-OAHLLOKOSA-N 306.406 1.381 30 50 DDEA N#CC[C@]1(O)CCN(C(=O)NCc2cccc3c2CCOC3)C1 602399633 JANGTSHFDPHUIL-KRWDZBQOSA-N 315.373 1.319 30 50 DDEA C#CCN1C(=O)S/C(=C\c2ccccc2OCC(=O)O)C1=O 2817361 LUCFAAPQHSXVLI-WQLSENKSSA-N 317.322 1.820 30 50 DDEA CCOC(=O)c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12 206115736 UOHSOCKLCAQGPH-UHFFFAOYSA-N 316.166 1.810 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H](c2ccccc2)n2cnnn2)N=N1 2325887285 BHNRGHHVDFGPTP-CQSZACIVSA-N 323.360 1.344 30 50 DDEA C#CCCC1(CCNC(=O)CCc2nc3cccnc3[nH]2)N=N1 2325891125 RPSODWQMQAHBDS-UHFFFAOYSA-N 310.361 1.972 30 50 DDEA C#CCCC1(CCC(=O)Nc2cnc(OCCOC)nc2)N=N1 2325892450 NXELYEJCOOUWMW-UHFFFAOYSA-N 317.349 1.796 30 50 DDEA C#CCCC1(CCC(=O)Nc2nn(C)c3c2CNCC3)N=N1 2325900579 AUHLUDGEUCZNPV-UHFFFAOYSA-N 300.366 1.360 30 50 DDEA O=C(ON1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 76313 SCUFWWOUGVITRP-UHFFFAOYSA-N 312.237 1.963 30 50 DDEA C=C[C@H](C)NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 222255051 PYPDCHAWWZXLKI-XJKSGUPXSA-N 303.406 1.627 30 50 DDEA CN(Cc1ccc(C(=O)O)cc1)C(=O)C1(C#N)CCOCC1 122060815 ABTIUWJXSFWSST-UHFFFAOYSA-N 302.330 1.664 30 50 DDEA CC(C)[C@@H](/N=C(/O)N1CCN(C2CC2)CC1)c1nncn1C 329501984 KOUMOVCTACYWKX-CYBMUJFWSA-N 306.414 1.206 30 50 DDEA CCc1nc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)co1 122524420 ADFGSCZPNFGCHY-UHFFFAOYSA-N 319.342 1.368 30 50 DDEA N#Cc1cccc(NC(=O)N2CCO[C@H](Cn3ccnn3)C2)c1 601258135 YIPMXIPCWPQBJT-AWEZNQCLSA-N 312.333 1.083 30 50 DDEA N#Cc1ccccc1OCCN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 284666310 DMEQUOSWQFZCQM-ZACQAIPSSA-N 316.401 1.799 30 50 DDEA O=[S@+]1(O)C[C@H]2NC(=S)N(c3ccccc3Cl)[C@@H]2C1 334157933 USXYBSSFESIIPG-PSASIEDQSA-P 303.816 1.758 30 50 DDEA N#Cc1ccnc(N2CCC3(CCC(=O)N(CCO)C3)CC2)c1 91289533 YOWJCOMSLWYCSY-UHFFFAOYSA-N 314.389 1.155 30 50 DDEA C[C@@H]1CO[C@]2(N=C(N)[C@]3(C#N)[C@@H](c4ccccc4F)[C@@]23C#N)O1 247954488 LHUVWCBNHUXZJD-SPEJKDPOSA-N 312.304 1.403 30 50 DDEA N#Cc1sccc1S(=O)(=O)N1CCC[C@H](C(=O)O)C1 593262120 ARLGQRHAYDSMCJ-QMMMGPOBSA-N 300.361 1.105 30 50 DDEA CO[C@H]1C[C@@H](CNc2ccc(C#N)nc2)N(c2cc(C)ncn2)C1 952849980 JJXSHOGNJPIZLM-HOTGVXAUSA-N 324.388 1.758 30 50 DDEA CCC[C@@H](C#N)NC(=O)C[C@H](N1CCOCC1)C(F)(F)F 1875367463 DZHHCFBNQMNPOS-QWRGUYRKSA-N 307.316 1.448 30 50 DDEA C#CCCC1(CCNC(=O)c2cnc(-n3cccn3)cn2)N=N1 2325887273 AFTWGTQWNZNSHN-UHFFFAOYSA-N 309.333 1.358 30 50 DDEA C=C[C@H](C)NC(=S)N1CCN(C(=S)N[C@@H](C)C=C)CC1 389278 SXKZBHBFXMSNJU-RYUDHWBXSA-N 312.508 1.502 30 50 DDEA N#Cc1ncccc1S(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 253393878 KIJDSTLJFYTZHN-OLZOCXBDSA-N 307.375 1.285 30 50 DDEA N#C[C@H](C(=O)CSc1ccncc1)C(=O)Nc1ccccn1 126425910 COSSBQQPTHOSIT-GFCCVEGCSA-N 312.354 1.916 30 50 DDEA N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nc1 333767693 QSLUDCCNZMTUOK-BARDWOONSA-N 313.357 1.500 30 50 DDEA N#Cc1ccc(C(F)(F)F)c(N2CCC[C@](O)(C(N)=O)C2)c1 284660037 PNCXMXZBSRYJCH-CYBMUJFWSA-N 313.279 1.394 30 50 DDEA Cc1cc(C)c(C#N)c(N2CC[C@@H]3OCc4cnnn4[C@H]3C2)n1 299763192 YXGWZPPPHCXYRQ-GJZGRUSLSA-N 310.361 1.512 30 50 DDEA C=C(C)CNC[C@]1(O)CCCN(Cc2ccccc2F)C1=O 12298139 KJMDPGOTDQFNGU-QGZVFWFLSA-N 306.381 1.845 30 50 DDEA COc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1[N+](=O)[O-] 4913296 BPUFTADDLPNWKF-UHFFFAOYSA-N 316.273 1.476 30 50 DDEA Cc1c(C(=O)N2CCn3nc(C#N)cc3C2)nc2ccccn12 1857716716 PWPOSWAHAGKELD-UHFFFAOYSA-N 306.329 1.367 30 50 DDEA Cc1nn(C(C)C)c(C)c1S(=O)(=O)N=c1cc[nH]c(C#N)c1 585128719 LQHPYKICNWTIQB-UHFFFAOYSA-N 319.390 1.570 30 50 DDEA CC#CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1CO 1875376756 HKHLJBMYFZIXEF-STQMWFEESA-N 310.394 1.134 30 50 DDEA C#CCCC1(CCNC(=O)c2c[nH]nc2C2CCOCC2)N=N1 2325891627 RJPRFPMSVFXMHP-UHFFFAOYSA-N 315.377 1.999 30 50 DDEA CC(O)=Nc1ccn([C@@H]2CCN(C(=O)[C@H]3CCO[C@@H]3C)C2)n1 328609027 BYJHYMMBHMCSFS-RTXFEEFZSA-N 306.366 1.689 30 50 DDEA O=C1CCCN1C1CCN(/C(O)=N/CC[C@@H]2CCOC2)CC1 329765398 WYRWUTBGDGMMRT-CYBMUJFWSA-N 309.410 1.414 30 50 DDEA COc1ccc(NC(=O)N2CCOC[C@H](CO)C2)cc1C#N 95519441 JTNLVBKSJHYGPS-NSHDSACASA-N 305.334 1.039 30 50 DDEA CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)O 169746358 BRFHFUAKKXPWLC-UHFFFAOYSA-N 305.139 1.642 30 50 DDEA in-vitro CCNC(=O)C[C@@H]1SC(N/N=C(\C)c2ccccc2)=NC1=O 13146977 QLEUGULYDGUAQY-NNLQFVHNSA-N 318.402 1.524 30 50 DDEA O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[C@H]1CO1 1875372510 HGMHBDGBMXDCKO-OCCSQVGLSA-N 315.291 1.922 30 50 DDEA Cn1cc(CNC[C@@H]2CCCO[C@H]2c2nccn2C)cc1C#N 886081964 MMHYCQNKEBVYGE-GOEBONIOSA-N 313.405 1.888 30 50 DDEA C=C1CC(CC(=O)N2CC[C@@H](Cc3nn[nH]n3)C(F)(F)C2)C1 2325808003 QZKIYOHGBXOVIZ-NSHDSACASA-N 311.336 1.582 30 50 DDEA C=CCn1cc(CN2CCOC[C@H]2CC(=O)OCC)c(C)n1 55036459 WHTSYIRSPGJIQE-OAHLLOKOSA-N 307.394 1.532 30 50 DDEA CCN1CCN(Cc2ccc(C#CC(C)(C)O)cc2)[C@H](C)C1=O 65387362 OAVFYEAYTODPDZ-OAHLLOKOSA-N 314.429 1.862 30 50 DDEA Cc1nc2ccc(N=C(O)N3CCN4CCOC[C@@H]4C3)cc2o1 328593502 BYJIYCIRRLRXLR-ZDUSSCGKSA-N 316.361 1.698 30 50 DDEA C=CCN1C(=O)N(c2ncnn2C)C(=O)[C@@H]1Cc1ccccc1 328595710 BNTQKOLHOWFUFG-ZDUSSCGKSA-N 311.345 1.381 30 50 DDEA O=C1CCC(c2cccs2)=C1CC(=O)N1CC[C@H](O)[C@@H](O)C1 72164294 GBYIJWAJJVNNNM-KBPBESRZSA-N 321.398 1.209 30 50 DDEA CCN1C(=O)[C@H]2CN(Cc3cc(F)ccc3C#N)CCN2C1=O 362821658 BKCRMHWWMYQCAY-CQSZACIVSA-N 316.336 1.166 30 50 DDEA C=CC[C@@]1(CO)CCCN(c2cc(N3CCCC3)nc(N)n2)C1 91546989 IKLYFXHYJZNXOQ-QGZVFWFLSA-N 317.437 1.814 30 50 DDEA CCC#CCN1C[C@@H]2c3cccc(OC)c3OC[C@]2(C(=O)O)C1 95524803 SFKKGIUKERMUKU-RDTXWAMCSA-N 315.369 1.971 30 50 DDEA C#C[C@@H](COC)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 583652111 ZSFQBOLKFVSQRP-QWRGUYRKSA-N 322.311 1.082 30 50 DDEA N#Cc1cccc(S(=O)(=O)N2CC[C@H](c3cnccn3)C2)c1 952881507 RVTOGBXCKQIHBZ-ZDUSSCGKSA-N 314.370 1.526 30 50 DDEA C=CCCC(=O)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 1875304101 ZYQKZCZDNNXKES-UHFFFAOYSA-N 308.281 1.872 30 50 DDEA C=C[C@@H](C)NC(=S)N1CCN(C(=S)N[C@H](C)C=C)CC1 389281 SXKZBHBFXMSNJU-VXGBXAGGSA-N 312.508 1.502 30 50 DDEA Cc1nc2ccc(N=C(O)N3CCN4CCOC[C@H]4C3)cc2o1 328593501 BYJIYCIRRLRXLR-CYBMUJFWSA-N 316.361 1.698 30 50 DDEA CCCc1cc(Cn2ccc3nc(O)c(C#N)cc3c2=O)on1 67739981 NWDTXNWFCPDLHM-UHFFFAOYSA-N 310.313 1.963 30 50 DDEA CN(C)C[C@]1(O)CCCN(C(=O)Nc2cccc(C#N)c2)C1 600865146 XSZCYEQIMKXJMC-MRXNPFEDSA-N 302.378 1.479 30 50 DDEA Cc1cc(N2CC(N3CCn4c(C)nnc4C3)C2)c(C#N)c(C)n1 328649796 VCVVJBOYOJHUFH-UHFFFAOYSA-N 323.404 1.174 30 50 DDEA C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)CC1(O)CCOCC1 602845226 ILSIZFHQAHNSCK-YOEHRIQHSA-N 318.417 1.844 30 50 DDEA O=C([C@@H]1CC[C@H](N/C(O)=N/CCn2ccnc2)C1)N1CCCC1 328588679 VHAUQUHAGKITBI-KGLIPLIRSA-N 319.409 1.178 30 50 DDEA N#Cc1ccc(CN2CCC[C@@](O)(CC(N)=O)C2)c(Cl)c1 591645213 OBRYVJSLNMTOEA-OAHLLOKOSA-N 307.781 1.414 30 50 DDEA Cc1ccc(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)cc1 2810882 MMZCYVBYIOUFEO-UHFFFAOYSA-N 317.322 1.912 30 50 DDEA CCN1C[C@@H](C)[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)C1 229311058 LFQGHGLJGNLDIP-DOMZBBRYSA-N 307.419 1.318 30 50 DDEA CNC(=O)c1ccn([C@H]2CCCN(c3ccc(C#N)cn3)C2)n1 275517066 DORXUPDUPMLCJC-ZDUSSCGKSA-N 310.361 1.351 30 50 DDEA N#Cc1cc(N2CCC[C@H](CC(N)=O)CC2)cc(N)c1[N+](=O)[O-] 585784448 YMPRDJTWVJCQGA-JTQLQIEISA-N 317.349 1.531 30 50 DDEA Cc1cccc(S(=O)(=O)N(C)CCc2ncccn2)c1C#N 1615548634 GWGYFTFOBVJPDU-UHFFFAOYSA-N 316.386 1.520 30 50 DDEA C#CC(C)(C)OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 12381136 NVIPAQYCIHIPEE-KRWDZBQOSA-N 320.408 1.737 30 50 DDEA CN1CC[C@@H](C/N=C(/O)N=c2cc[nH]cc2)[C@@H]1c1cccnc1 328618513 DUKCVMXBMXAABM-HOCLYGCPSA-N 311.389 1.917 30 50 DDEA C#CCCC1(CCC(=O)NCc2n[nH]c3c2COCC3)N=N1 2325892880 NOLFJSFUYXYECA-UHFFFAOYSA-N 301.350 1.454 30 50 DDEA Cc1cnn([C@H]2CCN(C(O)=Nc3cn(C)c(=O)cc3C)C2)c1 329521925 PDFZYNBQIJCNIS-ZDUSSCGKSA-N 315.377 1.691 30 50 DDEA CC(C)(O)C#Cc1ccc(-c2nccn2CCn2cnnc2)cc1 72425353 HIKDQJPMWDWOFV-UHFFFAOYSA-N 321.384 1.964 30 50 DDEA Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(C#N)cn1 286175952 MUAIQGHQIXZWTG-IUODEOHRSA-N 311.345 1.793 30 50 DDEA N#Cc1cccnc1N1CCC(CNC(=O)Cn2cccn2)CC1 952965715 ADAJIZLCZMZWAM-UHFFFAOYSA-N 324.388 1.183 30 50 DDEA C=CCn1c(CNC(=O)c2csc(C)n2)nnc1SC 12150303 IDVZCXCJWLTOEC-UHFFFAOYSA-N 309.420 1.881 30 50 DDEA CN(C)Cc1ccc(N2CCN(c3ccc(C#N)nc3)CC2)nc1 253431493 HHOSSLLTCMQKPH-UHFFFAOYSA-N 322.416 1.736 30 50 DDEA Cc1ccc(N2CCC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)nn1 371885653 IOWAYLCZZWOSJG-CQSZACIVSA-N 324.388 1.726 30 50 DDEA Cn1c(NC(=O)c2n[nH]cc2[N+](=O)[O-])nc2ccc(C#N)cc21 225577168 PUBFBZSSBVHODR-UHFFFAOYSA-N 311.261 1.329 30 50 DDEA CCN1CCN(/C(O)=N/[C@H](C)C2CC2)C[C@H]1c1nccn1C 328644981 ZNWOCWSCQPTNDA-OCCSQVGLSA-N 305.426 1.811 30 50 DDEA COCC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C 405021614 HIVGMYHVIUGLJK-UHFFFAOYSA-N 305.183 1.879 30 50 DDEA COC(=O)CCS(=O)(=O)/N=C(/O)c1ccc(OC)cc1F 328596621 JBQZPUSJMBVIJS-UHFFFAOYSA-N 319.310 1.032 30 50 DDEA C[C@@H]1CC[C@H](C(=O)O)CN1S(=O)(=O)c1ccccc1C#N 263528467 VGJAECGVLUEEAD-PWSUYJOCSA-N 308.359 1.432 30 50 DDEA N#CCCNC(=O)NCc1ccc(N2CCCNC2=O)cc1 854028328 WYXKYZPZBMVRLU-UHFFFAOYSA-N 301.350 1.319 30 50 DDEA C#CCC1(O)CCN(C[C@@H](O)C[C@H](O)c2ccccc2)CC1 880482522 LOBYHIGGCGUYMG-IRXDYDNUSA-N 303.402 1.321 30 50 DDEA C#C[C@@H](NC(=O)N(C)CCc1ccc2c(c1)OCO2)[C@H](C)OC 2325794560 HWUJTEYWYWFMSP-GXTWGEPZSA-N 318.373 1.636 30 50 DDEA C#CCNC(=O)CNC(=O)C(C)(C)c1ccc(Cl)cc1F 225605694 NKQCFHVHRWWHRB-UHFFFAOYSA-N 310.756 1.622 30 50 DDEA C=C/C(O)=N/[C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C 328600045 VIYUCDCUABWDEJ-CQSZACIVSA-N 305.382 1.350 30 50 DDEA N#Cc1cc(=N[C@H]2CCN(c3ccccc3C(N)=O)C2)cc[nH]1 367452244 XYLHUMXRBNEQOS-ZDUSSCGKSA-N 307.357 1.165 30 50 DDEA N#Cc1ccc(OC2CN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)cc1 367488695 DJUVSWRSUMOYAC-GFCCVEGCSA-N 323.356 1.071 30 50 DDEA N#Cc1cccc(/C=C/C(=O)N2CC[C@H](N3CCOCC3)C2)c1 172747289 FPPNMCWXJDWOKV-BDUNBXCCSA-N 311.385 1.505 30 50 DDEA Cc1cc(N2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)ccn1 426399124 ZCBPHDZPWFRKBG-UHFFFAOYSA-N 309.373 1.942 30 50 DDEA O=[S@@+]1(O)C[C@@H]2[C@H](C1)NC(=S)N2c1ccccc1Cl 334157935 USXYBSSFESIIPG-WCBMZHEXSA-P 303.816 1.758 30 50 DDEA N/C(=N\OS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1 5094308 HOWLOHRQUFWYNN-UHFFFAOYSA-N 322.302 1.016 30 50 DDEA N#Cc1ccc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)O)C2)cc1F 589974759 CUZMHOPIWIOVTI-WPRPVWTQSA-N 310.306 1.005 30 50 DDEA N#Cc1cnc(N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)c(F)c1 1875398407 OXFOOVWEKGEJRL-ZLKJLUDKSA-N 301.325 1.540 30 50 DDEA C=C1CC[C@H]1NC(=O)N1CCC(n2[nH]c(C3CC3)nc2=O)CC1 1875305995 OVFRBGJHSRQUCT-CYBMUJFWSA-N 317.393 1.514 30 50 DDEA COC(=O)[C@H]1CCn2c(COc3ccc(C#N)cc3)nnc2C1 601045616 YZRVDXHXYOGXNS-LBPRGKRZSA-N 312.329 1.464 30 50 DDEA N#Cc1ccc(CN2CCCO[C@@H](CN3CCOCC3)C2)cc1 215949966 BHXPZBMSRYTHNO-SFHVURJKSA-N 315.417 1.481 30 50 DDEA CCN1CCN(/C(O)=N/C[C@@H]2CCCCO2)C[C@H]1c1ncc[nH]1 328636653 VQCXAJTYGXWETE-KBPBESRZSA-N 321.425 1.571 30 50 DDEA OCC1(C/N=C(/O)[C@H]2CCc3nncn3C2)CC2(CCC2)C1 329079237 QSKXQGLFEHMPCB-LBPRGKRZSA-N 304.394 1.740 30 50 DDEA Cc1noc([C@@H]2CCN(/C(O)=N/[C@@H](C)c3cn(C)nc3C)C2)n1 329117644 JBJXTAOYTOONQU-JOYOIKCWSA-N 318.381 1.884 30 50 DDEA N#Cc1cc(N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)ccn1 284422229 DVWSORPCCZXUDK-LSDHHAIUSA-N 300.362 1.060 30 50 DDEA N#Cc1c[nH]c(C(=O)N[C@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)c1 244852894 VBFPBZZZEBBXJE-RBSFLKMASA-N 310.357 1.393 30 50 DDEA Cn1cc(C(=O)NCc2cccc(C#N)c2)c([C@H]2CCOC2)n1 275274338 JVGBCVGBBFFGQU-AWEZNQCLSA-N 310.357 1.726 30 50 DDEA COC(=O)c1ccc(CC#N)cc1B1OC(C)(C)C(C)(C)O1 1857779830 PMILEEIBKLETHG-UHFFFAOYSA-N 301.151 1.838 30 50 DDEA C#CCCC1(CCC(=O)N=c2ccn(C[C@@H]3CCCO3)[nH]2)N=N1 2325900114 LECMUXNOJVLMSM-ZDUSSCGKSA-N 315.377 1.778 30 50 DDEA C#CCCC1(CCNC(=O)c2coc(CCOCC)n2)N=N1 2325900425 YKDLUTJGZVQPLJ-UHFFFAOYSA-N 304.350 1.949 30 50 DDEA C=CCNC(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1 2887744 YILDTUDZNVLJPJ-UHFFFAOYSA-N 310.375 1.503 30 50 DDEA C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1COc2ccccc21 110714780 PSRGNWQFNNXRNA-XLWVJDPXSA-N 313.401 1.949 30 50 DDEA CC(C)(C)n1cc(N=C(O)N2CC[C@@H]3OCC(O)=N[C@@H]3C2)cn1 328588417 OUDIJAMDCOZKCH-NEPJUHHUSA-N 321.381 1.613 30 50 DDEA Cc1nn(C)cc1/C(O)=N/C1CC(N(CC(=O)O)CC2CC2)C1 328622374 BFXPXGGRYMFCDI-UHFFFAOYSA-N 320.393 1.361 30 50 DDEA COc1ccc(CN2CCO[C@H](c3nncn3C)C2)cc1C#N 328643009 RGLFJTVNTFJQGO-HNNXBMFYSA-N 313.361 1.269 30 50 DDEA O=S1(=O)CCC[C@H](/N=C(/O)CSc2ccncc2)C1 329310341 QVQFHBNXRHRSIM-JTQLQIEISA-N 300.405 1.707 30 50 DDEA CC(C)n1cc([C@]2(O)CCN(Cc3cc(C#N)n(C)c3)C2)nn1 583617298 CPPSABWDEWWOGM-INIZCTEOSA-N 314.393 1.163 30 50 DDEA C[C@@H]1C(=O)NCCCN1C(=O)NCc1cc(C#N)ccc1F 195577708 BSKWQTKJBYELDN-SNVBAGLBSA-N 304.325 1.117 30 50 DDEA CN(C)CCCN(CCCNC(=O)/C=N/O)Cc1ccccc1 2235516 LUNKHULIQKIEID-XMHGGMMESA-N 320.437 1.407 30 50 DDEA N#CC1CN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)C1 590489016 MRRYAVDKTLMCKE-UHFFFAOYSA-N 310.357 1.385 30 50 DDEA C[C@@H]1CN(C(=O)NOCCC(F)(F)F)C[C@@H](C)N1CC#N 864095523 PIEZFIXRBXUQGW-NXEZZACHSA-N 308.304 1.498 30 50 DDEA N#C[C@H]1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 2325788275 WJWHGMHTYCYFFQ-CQSZACIVSA-N 316.386 1.939 30 50 DDEA Cn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/C[C@](C)(O)c1ccco1 328627973 NGFJQWJIGQGNHN-XFJVYGCCSA-N 319.361 1.955 30 50 DDEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)Nc2cc(C)on2)cn1 328624118 JRSOWAKPHIURCD-GXTWGEPZSA-N 319.365 2.446 30 50 DDEA COCc1cc(N=C(O)N2CCC[C@@H]2c2noc(C)n2)ncn1 329146431 OKOCLZXBSYYFHJ-LLVKDONJSA-N 318.337 1.697 30 50 DDEA Cc1ccc([C@]23O[C@@H]2C(=O)[C@H]2[C@@H](C3=O)[C@H]3C[C@H]2[C@@H]2O[C@H]23)cc1C 238901764 MNUNMXLALONTJK-HLFYAAEFSA-N 310.349 1.699 30 50 DDEA C=CCN1C(=O)NC(=O)/C(=C\c2ccc(OC)c(O)c2)C1=O 15659238 VQIPTABFHQNXIB-JXMROGBWSA-N 302.286 1.049 30 50 DDEA N#Cc1ccccc1OCc1cn(C[C@@]2(O)CCCOC2)nn1 603263067 ZZYGJFVRGZSWSP-INIZCTEOSA-N 314.345 1.270 30 50 DDEA Cc1ccc(N=C(O)N2CCN(C)[C@H](c3ncc[nH]3)C2)nc1 328633318 SLLCKXVYKJOJGZ-LBPRGKRZSA-N 300.366 1.647 30 50 DDEA COc1cc(OC)c2ncc(C#N)c(N(C)CC(N)=O)c2c1 253415432 SBANADAPIHSUSC-UHFFFAOYSA-N 300.318 1.045 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H]2CCO[C@H]2c2cnn(C)c2)N=N1 952876815 XKAFYMABODNBGU-HIFRSBDPSA-N 315.377 1.722 30 50 DDEA Cc1nc([C@@H]2CN(C)CC23CN(c2nccc(C)c2C#N)C3)n[nH]1 1775957997 XAXBARVCPLZWKH-AWEZNQCLSA-N 323.404 1.224 30 50 DDEA COc1ccc(CNC[C@H]2CC[C@@H](c3nc[nH]n3)O2)cc1C#N 1775961603 MNTZXJJSTFZEPL-HIFRSBDPSA-N 313.361 1.695 30 50 DDEA C=CC[C@@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)O 159605280 CUBDPEAPAKRCIR-SNVBAGLBSA-N 319.766 1.656 30 50 DDEA C#CCN(C[C@@H](O)CN1CCOCC1)[C@H]1CCc2ccccc21 245339038 QDKKZHFMMCJDRK-HKUYNNGSSA-N 314.429 1.302 30 50 DDEA N#Cc1ncn(CC(=O)N2CCN(CC3CC3)c3ccccc32)n1 178651485 RNWZSYPYURMHGR-UHFFFAOYSA-N 322.372 1.413 30 50 DDEA O=[S@+]1(O)C[C@H]2NC(=S)N(Cc3ccc(F)cc3)[C@@H]2C1 334158498 RQZZBMMJOPXDNG-GHMZBOCLSA-P 301.388 1.239 30 50 DDEA C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)C1CC1 583650780 BCBFLBSOIQDFHQ-LLVKDONJSA-N 318.323 1.942 30 50 DDEA 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N#Cc1ccsc1N1CC[C@H](N[C@H]2CCO[C@@H]2C2CC2)C1=O 333686388 AKZMJQRQPWHLSZ-MELADBBJSA-N 317.414 1.882 30 50 DDEA C=CCN1CCC[C@H]1C(=O)N1CCN(CCCCOC)CC1 584898679 YNKQBRYXGSGPJE-INIZCTEOSA-N 309.454 1.208 30 50 DDEA CCC[C@H]1CN(C(=O)c2cc(C#N)c(O)nc2C)C[C@@H]1C(=O)O 1565527046 PYQKQOUXXFOXHL-GWCFXTLKSA-N 317.345 1.540 30 50 DDEA C=CC[C@H](NS(=O)(=O)c1cc(C)c(OC)c(C)c1)C(=O)O 274911776 KVHVIOMBQTZDRA-LBPRGKRZSA-N 313.375 1.620 30 50 DDEA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 168980894 FKFADZGBTGFWPP-ONGXEEELSA-N 313.810 1.712 30 50 DDEA CCc1cc(N2CCCn3nc(C#N)cc3C2)nc(N(C)C)n1 1704353667 HMYLDKNYUHLEEM-UHFFFAOYSA-N 311.393 1.583 30 50 DDEA CNC(=O)C[C@@]1(O)CCCN(Cc2ccc(OC)c(C#N)c2)C1 591634430 XBBBJIUZOISEHY-KRWDZBQOSA-N 317.389 1.030 30 50 DDEA COC(=O)c1oc(Cn2c3c(cc(C#N)c2=O)CCC3)cc1C 952878520 FWWXQFIINKINBR-UHFFFAOYSA-N 312.325 1.945 30 50 DDEA CC1(C)CNC(=O)[C@@H]1NCc1ccc(C#N)cc1Br 877870943 IXUZFMUKRGOMJH-LBPRGKRZSA-N 322.206 1.935 30 50 DDEA C=C(C)COc1ccccc1C(=O)NC[C@@H](O)c1nccn1C 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1.482 30 50 DDEA CCCN(CC#Cc1ccccc1)C(=O)C[C@@H]1CNCCO1 55369092 QICVJOUAEUWHDN-QGZVFWFLSA-N 300.402 1.655 30 50 DDEA Cc1conc1N/C(O)=N/C[C@@H]1C[C@H](F)CN1c1cccnn1 328628063 GWXMKNUXTRGMGL-QWRGUYRKSA-N 320.328 1.716 30 50 DDEA N#Cc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)s1 330318507 QYAJSZOWFUWRII-NEPJUHHUSA-N 304.371 1.830 30 50 DDEA CCCN1CCC[C@H]1CNC(=O)C#Cc1ccc2c(c1)OCO2 242273658 YESVRENSDILHAV-HNNXBMFYSA-N 314.385 1.757 30 50 DDEA N#Cc1ccccc1CN1CCC(c2nccn2CC(N)=O)CC1 95524016 LAZAOCOXPFTFMP-UHFFFAOYSA-N 323.400 1.620 30 50 DDEA COCCn1cnnc1[C@@H](C)n1cc(-c2cccc(C#N)c2)nn1 91364735 ANRKJWSAKUXGPO-GFCCVEGCSA-N 323.360 1.664 30 50 DDEA CC[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)C[C@@H](C)O1 110625263 DMTOOTJUFBUSCZ-GHMZBOCLSA-N 312.366 1.885 30 50 DDEA CC(C)(C)n1cc(N=C(O)N2CC[C@@H]3OCC(O)=N[C@H]3C2)cn1 328588419 OUDIJAMDCOZKCH-RYUDHWBXSA-N 321.381 1.613 30 50 DDEA N#CC1(NC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)CCC1 253425948 VIZOJTAJUWKUJS-LLVKDONJSA-N 319.311 1.880 30 50 DDEA COc1nccc(N2CCN(c3ncccc3C)CC2)c1C#N 77288035 MGYANASHHAFFOJ-UHFFFAOYSA-N 309.373 1.992 30 50 DDEA Cc1cc(N2C(=O)[C@@H](C)N(C)C2=O)nn1-c1cccc(C#N)c1 375925385 UYHSXMNHLOCXFX-LLVKDONJSA-N 309.329 1.839 30 50 DDEA C#CCN1CCC(C(=O)N[C@](C)(CO)C2CCCCC2)CC1 157977956 CHNNVNIYUPVZHD-GOSISDBHSA-N 306.450 1.779 30 50 DDEA CNc1ccc(C#N)cc1NS(=O)(=O)C[C@@H](C)C(=O)OC 285020656 GZMYIXSLDYXDFG-SECBINFHSA-N 311.363 1.151 30 50 DDEA N#Cc1ccc(S(=O)(=O)N2CCC(O)(C(F)(F)F)CC2)o1 287740022 HWOGWLGAUUDZHQ-UHFFFAOYSA-N 324.280 1.229 30 50 DDEA C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1C(=O)O 237649946 GLQNFWSWVGQQAO-SMDDNHRTSA-N 302.330 1.791 30 50 DDEA Cc1noc(CCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1 218473372 UUCYPAWOOAHUFJ-UHFFFAOYSA-N 324.344 1.009 30 50 DDEA COc1ccc(C#N)cc1CN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 331871747 CTDXYILJUSWHMA-BBWFWOEESA-N 316.401 1.929 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@H](N3CCOCC3)C2)N=N1 952882149 RZKIEZDUIGDHCR-HNNXBMFYSA-N 318.421 1.665 30 50 DDEA N#CC1(NS(=O)(=O)c2cnn3ccccc23)CCCCC1 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N#Cc1ccc(C(=O)NCc2csc(-c3ncccn3)n2)cn1 244673696 HTYQJMWVEIXZGY-UHFFFAOYSA-N 322.353 1.797 30 50 DDEA 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(O)cc1O 252428646 SARFGFVEVQWMID-NJUCXSGFSA-N 324.336 1.485 30 50 DDEA C=C[C@@H]1CCCCN1C(=O)C1CCC2(CC1)NC(=O)NC2=O 408373719 MDZXDPCPXCRHFQ-BWBHSNQOSA-N 305.378 1.322 30 50 DDEA C#CCN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O 12342691 RADBCVIGCIMXJB-JXMROGBWSA-N 304.283 1.970 30 50 DDEA CC1(C)CCO[C@H]1CC(=O)NS(=O)(=O)CC1(C#N)CCC1 1875283973 JZTPGNVZRPZPEB-NSHDSACASA-N 314.407 1.331 30 50 DDEA Cc1ccc(C(=O)C[n+]2cccc(C(N)=O)c2)cc1[N+](=O)[O-] 2896401 JKPZNISSABLGGA-UHFFFAOYSA-O 300.294 1.173 30 50 DDEA N#CCCCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 446561679 XSOLQCRSNBIKFW-UHFFFAOYSA-N 314.267 1.849 30 50 DDEA CNc1ccc(C#N)cc1NS(=O)(=O)C[C@H](C)C(=O)OC 285020663 GZMYIXSLDYXDFG-VIFPVBQESA-N 311.363 1.151 30 50 DDEA N#Cc1c[nH]c(C(=O)N2CCCO[C@H](CN3CCCC3)C2)c1 299794380 JCVDNRCDOKIYMX-CQSZACIVSA-N 302.378 1.213 30 50 DDEA CCOC(=O)C(F)(F)[C@@H](NC(=O)c1ccc(C#N)cn1)C1CC1 585087155 TXDWOXKBAAYNDR-LBPRGKRZSA-N 323.299 1.660 30 50 DDEA Cn1cc([C@H](O)C[C@@H]2CCCN2c2ccc(C#N)c(N)n2)cn1 848674554 FQOHBALVJOCQIP-UONOGXRCSA-N 312.377 1.361 30 50 DDEA N#CCOc1ccccc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 133312565 ZDZCZFXAPZYPJQ-DOTOQJQBSA-N 308.337 1.977 30 50 DDEA CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)Cc1cc(C)on1 225704747 LDTPLDWAICUFDL-JTQLQIEISA-N 300.384 1.141 30 50 DDEA C=CCNC(=O)CSc1nnc(Cn2nccc2C)n1CC 2793426 HOLIUXZAILIMLN-UHFFFAOYSA-N 320.422 1.246 30 50 DDEA O=C1c2ccccc2C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1O 1233385 IRHRKRWNRHEMRG-LZYBPNLTSA-N 311.253 1.931 30 50 DDEA C#CCCC1(CCNC(=O)[C@H](C)n2nnnc2C(C)(C)C)N=N1 2325890896 ATTKJGIIDIWIMJ-NSHDSACASA-N 317.397 1.613 30 50 DDEA C=CCn1c(C)c(C)n2c3c(=O)n(CCC)c(=O)n(C)c3nc12 4314379 QZBZNKAUTKJDJB-UHFFFAOYSA-N 315.377 1.362 30 50 DDEA CS[C@H](C)C/N=C(/O)N1CCO[C@@H](CN(C)CC2CC2)C1 328622365 BFPDMJQMLHBMJN-OCCSQVGLSA-N 315.483 1.695 30 50 DDEA 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COC(=O)c1cc(OC(C)=O)cc(B2OC(C)(C)C(C)(C)O2)c1 216704187 FGNZEGMVHABYMA-UHFFFAOYSA-N 320.150 1.698 30 50 DDEA CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 284847223 OUWAVLIMFYCVJV-LSDHHAIUSA-N 300.358 1.464 30 50 DDEA CN1C(=O)C[C@H](CNC(=O)c2ccc(C#N)nc2)c2ccccc21 220526382 UBINGQLDBFOPPV-CYBMUJFWSA-N 320.352 1.833 30 50 DDEA C=CC[C@]1(C(=O)O)CCCN(C(=O)CCc2cnccn2)C1 91908095 CBMVKWWAEDGNCQ-INIZCTEOSA-N 303.362 1.679 30 50 DDEA COCCN1CCN(Cc2ccc(C#CC(C)(C)O)s2)CC1 670470003 RPCGXHYDFDEGST-UHFFFAOYSA-N 322.474 1.635 30 50 DDEA CC1(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)COC1 277702522 MTOOGOKSZACILD-UHFFFAOYSA-N 319.792 1.897 30 50 DDEA Cn1cc(CNC[C@@]2(N3CCOCC3)CCSC2)cc1C#N 190850113 MYYKAMOLBJCQPR-INIZCTEOSA-N 320.462 1.194 30 50 DDEA COc1cc(/C=N/n2c(C)nnc2C)cc(OC)c1OC(C)=O 228427 JRKSHBGYMSFMGV-LZYBPNLTSA-N 318.333 1.720 30 50 DDEA Cc1cc(NC(=O)COC(=O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)n(C)n1 885907253 BMSWUPBCQAJGTB-MQIPJXDCSA-N 316.361 1.540 30 50 DDEA CC(C)(C#N)CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 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30 50 DDEA N#Cc1c(F)cc(B(O)c2cc(F)c(C#N)c(F)c2)cc1F 390824566 NVISHTUYDOOXMD-UHFFFAOYSA-N 304.011 1.084 30 50 DDEA C#CCC1(O)CCN(C[C@H](O)C[C@@H](O)c2ccccc2)CC1 880482521 LOBYHIGGCGUYMG-IAGOWNOFSA-N 303.402 1.321 30 50 DDEA C[C@H]1CC(NC(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H](C)C1 585121034 COXQOJZRLUATHX-GHMZBOCLSA-N 318.377 1.152 30 50 DDEA CCNC(=S)N/N=C/c1cc(Br)ccc1O 2390788 MCXGFZPJJONOHE-AWNIVKPZSA-N 302.197 1.973 30 50 DDEA CCn1cc(/C=N\NS(=O)(=O)c2ccc(C)cc2)c(C)n1 13111557 NEHWVBYOCFASRX-DHDCSXOGSA-N 306.391 1.832 30 50 DDEA N#Cc1cnc2c(Br)cccc2c1NC[C@H](O)CO 253428481 QKERGYJZJATPDW-VIFPVBQESA-N 322.162 1.634 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@H](c3nc(O)n[nH]3)C2)N=N1 2325886285 CWLCHXSJIOELKY-NSHDSACASA-N 316.365 1.572 30 50 DDEA C#CCCC1(CCC(=O)NCCN=c2[nH]c(C)cs2)N=N1 2325892127 AIQRXNHLNYWKMT-UHFFFAOYSA-N 305.407 1.757 30 50 DDEA C=CCN1C(=S)N(c2ccc(C)cc2)[C@H]2CS(=O)(=O)C[C@@H]21 2693007 XNXSCSXHDUDDCM-KBPBESRZSA-N 322.455 1.754 30 50 DDEA COC(=O)[C@@H](N)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 170007883 XTRVHRTYYFVZON-ZDUSSCGKSA-N 305.183 1.029 30 50 DDEA CC(C)(C)OC(=O)N1CC[C@@H](COS(C)(=O)=O)[C@H](F)C1 71624247 DVADQFSVWWQVQN-VHSXEESVSA-N 311.375 1.558 30 50 DDEA CC(O)=Nc1ccn([C@H]2CCN(C(=O)c3ccc(O)nc3)C2)n1 328610501 ICHGKJOVJWHIAV-LBPRGKRZSA-N 315.333 1.679 30 50 DDEA N#Cc1c[nH]c(C(=O)N2CCC(CCN3CCCC3=O)CC2)c1 426487372 MKGGOSWLFXOEED-UHFFFAOYSA-N 314.389 1.751 30 50 DDEA C=CC[C@@]1(CO)CCCN(C(=O)c2cc(=O)c(OC)c[nH]2)C1 91935141 AWTYAZOQVKAJHF-MRXNPFEDSA-N 306.362 1.174 30 50 DDEA N#Cc1cccc(N2C[C@H](CO)[C@H](CN3CCCCC3)C2)n1 91725059 VYBIMWDBSIMCNY-HUUCEWRRSA-N 300.406 1.484 30 50 DDEA COc1ccc2nc(CNC(=O)c3ccc(C#N)nc3)[nH]c2c1 670444620 VXUAHFYBGKALQL-UHFFFAOYSA-N 307.313 1.768 30 50 DDEA Cc1cc(C#N)c(O)nc1C(=O)N[C@@H]1C[C@H]1C1CCOCC1 1413465611 LRFGNAXAOMTYGG-QWHCGFSZSA-N 301.346 1.512 30 50 DDEA CN1CCN(C(=O)c2ccccc2OC(F)(F)F)C[C@H]1C#N 274612396 NZJZSADGCZUQTF-SNVBAGLBSA-N 313.279 1.865 30 50 DDEA N#Cc1ccc(CN2CCC[C@](O)(c3cnn[nH]3)C2)cc1F 583617938 LXMKUGQVLMUMRL-OAHLLOKOSA-N 301.325 1.299 30 50 DDEA N#Cc1cnc2ccccc2c1N1CC[C@@](O)(Cn2ccnn2)C1 585789044 SBULYXHCBCGEIZ-KRWDZBQOSA-N 320.356 1.339 30 50 DDEA COc1ccc(/C=N/n2c(=S)[nH]nc(C)c2=O)cc1OC 5696939 LOLUGVXVHOFXIA-VGOFMYFVSA-N 306.347 1.509 30 50 DDEA C[C@H](/N=C(/O)N(C)C[C@@H]1CCn2ccnc2C1)[C@@H]1CCCO1 328632108 ROOLWHOPVAVWNP-MJBXVCDLSA-N 306.410 1.859 30 50 DDEA N#Cc1nc(-c2ccc(F)cc2)oc1N1C[C@H](O)C[C@@H]1C(=O)O 1857800365 OMSZOVIXVSCPIL-ZYHUDNBSSA-N 317.276 1.377 30 50 DDEA C#CCN1CCC[C@@H]1COC(=O)CSC[C@H]1CCCCO1 230074404 ZCOAHZNEZPALRC-HUUCEWRRSA-N 311.447 1.930 30 50 DDEA O=C1N=C(O)CC[C@@H]1/N=C(/O)[C@H]1CC(=O)N(C2CCCC2)C1 328648383 IKFCUWQZOQUUMR-ONGXEEELSA-N 307.350 1.380 30 50 DDEA N#Cc1cc2n(n1)CCN(C(=O)c1ccc3c(c1)CCCO3)C2 426633926 MYZZSIOXEYRZPB-UHFFFAOYSA-N 308.341 1.736 30 50 DDEA CC#CC(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 239672520 BTNYIMVNSZEFHN-UHFFFAOYSA-N 318.324 1.619 30 50 DDEA CCO[C@H]1C[C@](CO)(NC(=O)c2cccc(C#N)c2)C1(C)C 188764775 WTDBOJZBJXDSHM-WMLDXEAASA-N 302.374 1.854 30 50 DDEA N#Cc1cc(F)c(N2CC[C@@H](c3cc(O)nc(N)n3)C2)c(F)c1 600878955 HCHMZWXQZQVREV-SECBINFHSA-N 317.299 1.908 30 50 DDEA COCCC1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCCC1 366181951 IYYPLYRCNATZNE-OAHLLOKOSA-N 305.422 1.782 30 50 DDEA O=C([C@@H]1CO1)N1CCO[C@@H](c2noc(-c3ccccc3)n2)C1 1875372765 MHXOJUUTGPFZEQ-NEPJUHHUSA-N 301.302 1.035 30 50 DDEA C#CCCC1(CCNC(=O)CCN(C)Cc2ccccn2)N=N1 2325901243 ZGDWMCNHPGEXMI-UHFFFAOYSA-N 313.405 1.985 30 50 DDEA C=C(C)CNC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 156222824 USTZXCLNFGWLHI-UHFFFAOYSA-N 319.380 1.798 30 50 DDEA N#Cc1cccc(C(=O)N[C@@H](C2CCNCC2)[C@H]2C[C@H](O)C2)c1 244695579 JPBDQXFTMMEULO-ULQDDVLXSA-N 313.401 1.427 30 50 DDEA COC1=C(OC)C(=O)C([C@@H]2COc3cc(O)ccc3C2)=CC1=O 100067755 SHZOHJDZQPQBSW-JTQLQIEISA-N 316.309 1.526 30 50 DDEA C=CC[C@@H](NS(=O)(=O)c1cc(C)c(F)c(C)c1)C(=O)O 274901539 IFNUAWLWCZEWDR-LLVKDONJSA-N 301.339 1.750 30 50 DDEA CCC[C@H]1COC[C@H]2CN(Cc3cc(C#N)n(C)c3C)CCN12 1529106427 PARYANUMWNYFBE-FUHWJXTLSA-N 316.449 1.890 30 50 DDEA CC#CC(=O)NC[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1875370152 DGRMVGRDPRSZAV-FRRDWIJNSA-N 308.378 1.150 30 50 DDEA CC#CC(=O)N1CCC[C@H]([C@H](O)c2ccc(F)c(C#N)c2)C1 1875386858 AYXLBUAYEGNSRP-SUMWQHHRSA-N 300.333 1.993 30 50 DDEA CN(CC1CC1)C[C@H]1CN(C(O)=Nc2ccccn2)CCO1 328632235 LFEGSCGXNWZFKM-AWEZNQCLSA-N 304.394 1.670 30 50 DDEA Cc1cc(C#N)cc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)n1 367326957 NPZKOOPMJWUHON-HNNXBMFYSA-N 313.405 1.180 30 50 DDEA N#CC1(c2ccc(C(=O)N3C[C@H](F)C[C@H]3C(N)=O)cc2)CC1 286663829 DDXZXKWULDUKGV-OLZOCXBDSA-N 301.321 1.280 30 50 DDEA CNC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(C#N)nc2)CC1 299783610 WACLDKDTMFOQIM-HAQNSBGRSA-N 300.362 1.235 30 50 DDEA N#Cc1ccc(NCC(=O)N[C@H]2CCCC23OCCO3)cc1 585127821 KKGHVUIYPAHNQQ-AWEZNQCLSA-N 301.346 1.382 30 50 DDEA C[C@@]1(O)CCOC2(CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 1704342073 FJDDLZFQQBUZMN-OAHLLOKOSA-N 303.362 1.423 30 50 DDEA N#Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2CC(=N)O)cc1 328606983 UJTDZAWWLRWPHJ-STQMWFEESA-N 304.325 1.236 30 50 DDEA CN(CCC#N)C(=O)CCN1C[C@H](O)C[C@@H]1c1ccc(F)cc1 343573030 VCAPFTFFCATQJG-HZPDHXFCSA-N 319.380 1.696 30 50 DDEA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)C#CC(C)(C)C)cn1 818605936 VHWLWONZSQAMNU-UONOGXRCSA-N 305.378 1.215 30 50 DDEA O=C(CCNC(=O)[C@@H]1CO1)Nc1cc(Cl)cc(Cl)c1 1875373323 YNJQHAFMVGZICP-JTQLQIEISA-N 303.145 1.837 30 50 DDEA C#CCN(C)C(=O)c1noc(C)c1I 1776006564 RCWBDUNMZNKOLY-UHFFFAOYSA-N 304.087 1.293 30 50 DDEA CCOC(=O)c1cc(N)c(N)c(B2OC(C)(C)C(C)(C)O2)c1 170008480 OHXKZMXUAYSQPY-UHFFFAOYSA-N 306.171 1.327 30 50 DDEA C/C(O)=N/Cc1ccc(C(=O)N2CCCCS2(=O)=O)cc1 328595963 LYWPFUFBSYELNA-UHFFFAOYSA-N 310.375 1.729 30 50 DDEA N/C(=N/S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 13153387 LJKWNYJRAZCTOO-UHFFFAOYSA-N 305.315 1.689 30 50 DDEA Cc1c([C@H]2OCC[C@@H]2NC(O)=Nc2cccnc2)cnn1C 328642764 YMAXVSPIHABNGD-UONOGXRCSA-N 301.350 1.789 30 50 DDEA Cc1ccc(N2CCC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)nn1 371885652 IOWAYLCZZWOSJG-AWEZNQCLSA-N 324.388 1.726 30 50 DDEA CC(=O)N[C@@]1(c2nc(C)no2)CCN(c2ccc(C#N)cc2)C1 591609443 QIKRQVVJQBWWHB-INIZCTEOSA-N 311.345 1.491 30 50 DDEA N#Cc1c(F)cccc1C(=O)N1CCO[C@@H](c2nc[nH]n2)C1 2325781633 QDRDYDYNGDTEPK-GFCCVEGCSA-N 301.281 1.029 30 50 DDEA C#CCOc1ccc([C@H]2C(C(=O)OC)=C(C)Nc3ncnn32)cc1 4832253 IVSPPYXLQAJASP-HNNXBMFYSA-N 324.340 1.752 30 50 DDEA N#Cc1c(F)cccc1N1CC[C@H](Nc2ccc3nccn3n2)C1 434184329 RWWILFVCJSRADV-LBPRGKRZSA-N 322.347 2.431 30 50 DDEA C[C@H](O)CN1CCN(Cc2cn3ccccc3c2C#N)C[C@@H]1C 229527688 BLAPBLSRFUDYNE-GJZGRUSLSA-N 312.417 1.698 30 50 DDEA N#Cc1cc(N2CCO[C@H]([C@H]3CCCO3)C2)ccc1[N+](=O)[O-] 253369669 GNQDXTSJGCYFEY-CABCVRRESA-N 303.318 1.851 30 50 DDEA Cc1ccc(/C(O)=N/[C@@H](CO)CN2CCOCC2)c(Cl)c1 331235120 DQYCIDZXMXBMDX-GFCCVEGCSA-N 312.797 1.646 30 50 DDEA CN(CCC#N)C(=O)CCN1CC[C@@H](O)c2ccccc2C1 374956875 VCOXXRCSKNKZGL-MRXNPFEDSA-N 301.390 1.688 30 50 DDEA CN(C)[C@H]1CCC[C@H](Nc2ccc(S(N)(=O)=O)cc2C#N)C1 170652885 PSRNEVOBVFBCIE-STQMWFEESA-N 322.434 1.490 30 50 DDEA C=CCN(C(=O)c1cnn(C(C)C)c1)[C@H]1CCS(=O)(=O)C1 190204070 GETHFSPETWDODG-ZDUSSCGKSA-N 311.407 1.279 30 50 DDEA C=C(C)C[C@@H](C)C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 585126259 UJANYOJRAIOLSA-OAHLLOKOSA-N 322.453 1.100 30 50 DDEA CC(C)(C)C#CC(=O)N1CCC([C@@H]2CC[C@H](C(N)=O)O2)CC1 952889929 POHZRWOJKPFKFV-UONOGXRCSA-N 306.406 1.307 30 50 DDEA CC(C)[C@H]1N(C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(C#N)[nH]1)C2 888095041 QBYBMDUMFVDQQF-ANQUJSFKSA-N 316.405 1.096 30 50 DDEA Cn1ncc2ncc(C(=O)N3CCCn4nc(C#N)cc4C3)cc21 2100482462 AWQBALCRJALWHV-UHFFFAOYSA-N 321.344 1.083 30 50 DDEA C=CCc1cc(C(=O)N[C@@H](C)C(=O)NC)cc(OC)c1OC 125915850 GPXGSFIAGUZCPZ-JTQLQIEISA-N 306.362 1.297 30 50 DDEA CN(CC1(CO)CCOCC1)C(=O)Nc1ccc(C#N)cc1 96160452 LLNYFURVAGNNJY-UHFFFAOYSA-N 303.362 1.811 30 50 DDEA Cn1cccc1CCNC(=O)c1ccc(C#CC(C)(C)O)o1 952987407 KPMWORHOCAOATJ-UHFFFAOYSA-N 300.358 1.713 30 50 DDEA N#Cc1ccc(N2CCN(Cc3nccn3C(F)F)CC2)cn1 301530327 RNUYTVASXGLTCP-UHFFFAOYSA-N 318.331 1.867 30 50 DDEA C#CCCC1(CCNC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)N=N1 2325891498 LDGRGQHQAXCAMH-UHFFFAOYSA-N 317.393 1.457 30 50 DDEA C=CCn1c(Oc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 202065 JQJBKQKRPASGEC-UHFFFAOYSA-N 312.329 1.412 30 50 DDEA Cc1ncoc1/C(O)=N/Cc1cccc(N2CCOCC2)n1 330081899 ALKCLHQPHVAROK-UHFFFAOYSA-N 302.334 1.719 30 50 DDEA Cc1nc(N=C(O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)n[nH]1 328610361 HKRHFKXEBHRMPU-JQWIXIFHSA-N 304.354 1.829 30 50 DDEA Cc1noc(C)c1N/C(O)=N/C1CCN(CC(=O)N(C)C)CC1 331250622 OSNDJYCCEQSLCF-UHFFFAOYSA-N 323.397 1.170 30 50 DDEA Cc1ccc(N2C[C@@H](C(=O)N(CC#N)CC#N)CC2=O)c(F)c1 126592757 ZZVAKUXQUMNIBB-LBPRGKRZSA-N 314.320 1.363 30 50 DDEA CN(CCC#N)C(=O)CCN1C[C@H](O)C[C@H]1c1cccc(F)c1 281857627 NYIDMIRWGDDGCO-CVEARBPZSA-N 319.380 1.696 30 50 DDEA O=C(CC1=C(c2ccccc2)CCC1=O)N[C@@H]1CCNC[C@H]1O 426496965 QWZDTMUWNOTETK-NVXWUHKLSA-N 314.385 1.032 30 50 DDEA O=C(N[C@H]1CC=C2C(=O)CCN2C1=O)OCc1ccccc1 140728247 IIQPBZQIXCZJMT-LBPRGKRZSA-N 300.314 1.370 30 50 DDEA CCC[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1NS(C)(=O)=O 91505046 PNKFMIJYRJCSOP-HOTGVXAUSA-N 321.446 1.708 30 50 DDEA C[C@@H]1CN(C(=O)CNc2ccc(C#N)cc2)C[C@@H](C)N1CC#N 585126924 LGRFDKBLTUGOSR-ZIAGYGMSSA-N 311.389 1.415 30 50 DDEA C[C@@H]1NC(=O)[C@H](C)N(C(=O)CNc2ccc(C#N)cc2)[C@@H]1C 585127392 ZBQWEOZUPPZVQW-TUAOUCFPSA-N 300.362 1.094 30 50 DDEA C[C@@H]1NC(=O)[C@@H](C)N(C(=O)CNc2ccc(C#N)cc2)[C@@H]1C 585127389 ZBQWEOZUPPZVQW-QJPTWQEYSA-N 300.362 1.094 30 50 DDEA C=CCNC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1 16650597 CWSCZAJHZMOBPU-UHFFFAOYSA-N 324.446 1.952 30 50 DDEA Oc1nnc(N/N=C/c2ccc(Br)cc2)c(O)n1 6161199 KDRJKQLOBQTZQH-LFYBBSHMSA-N 310.111 1.491 30 50 DDEA C=C1CCN(S(=O)(=O)c2cccc(C(=O)N(C)C)c2)CC1 264504191 QNSKLKREVCTQPJ-UHFFFAOYSA-N 308.403 1.729 30 50 DDEA CC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)CC[C@H]1C(F)(F)F 886039165 NMKLSGFGURZNAL-ONGXEEELSA-N 313.283 1.702 30 50 DDEA N#Cc1ccc(O[C@H]2CCN(c3ncnc4[nH]ccc34)C2)nc1 366180190 BWRKMLDJTBBJBG-LBPRGKRZSA-N 306.329 1.882 30 50 DDEA Cc1noc([C@H]2C[C@@H](O)CN2c2ccc(Cl)c(C#N)n2)n1 275356706 UWBPGEKQJAMDEV-LDYMZIIASA-N 305.725 1.610 30 50 DDEA CN1CCN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 169794510 PESZAXRJFGLGTR-UHFFFAOYSA-N 316.254 1.733 30 50 DDEA in-vitro N#Cc1ccc(NCC(=O)N2CCC[C@H](n3ccnn3)CC2)cc1 585128008 PIPBGEXTQFXTPW-INIZCTEOSA-N 324.388 1.815 30 50 DDEA Cc1ccc(S(=O)(=O)/N=C(\O)NN2C[C@H]3CCC[C@@H]3C2)cc1 523925 BOVGTQGAOIONJV-CHWSQXEVSA-N 323.418 1.834 30 50 DDEA biogenic,world N#Cc1c[nH]c(N2CCN(c3ncccc3Cl)CC2)nc1=N 1529195918 QPZGJOXIGPLDFD-UHFFFAOYSA-N 315.768 1.136 30 50 DDEA C=CCNC[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 12203537 PYRLTXODWRAYRQ-MRXNPFEDSA-N 310.344 1.594 30 50 DDEA Cc1nc(N2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)ccc1C#N 864311503 ACNGHSNMDGPCQA-ZDUSSCGKSA-N 324.388 1.817 30 50 DDEA C#CCCC1(CCC(=O)NCc2ncc3c(n2)CCOC3)N=N1 952881800 QCSJOYLWSMLKDA-UHFFFAOYSA-N 313.361 1.521 30 50 DDEA CC1(C)OB(c2cc(N)ccc2N2CCC(O)CC2)OC1(C)C 170003910 WTNCGXYMLGAGFA-UHFFFAOYSA-N 318.226 1.529 30 50 DDEA C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Nc1ccn(CCCC#N)n1 252512576 SLQLAGOZNCAIEM-ZIAGYGMSSA-N 318.425 1.991 30 50 DDEA Cc1ccn(-c2ccccc2N=C(O)N(C)CCOCCO)n1 328586302 VZEUYKSDPFMXFY-UHFFFAOYSA-N 318.377 1.667 30 50 DDEA Cc1ccc(N2CCC[C@@H](/N=C(/O)Nc3ccncn3)C2)nn1 328588643 SWAAGICAYDWTMI-GFCCVEGCSA-N 313.365 1.570 30 50 DDEA C#CCN(C)c1c(C#N)cnn1-c1nn2c(c1Cl)CCCC2 35822518 IHHMUBRVTJMLQO-UHFFFAOYSA-N 314.780 2.000 30 50 DDEA in-vitro C[C@H](C(=O)OC(C)(C)C)N1CCN(c2ncccc2C#N)CC1 154139703 IMOQXKXSIBLDBJ-CYBMUJFWSA-N 316.405 1.805 30 50 DDEA CC(C)OC[C@H]1CN(C(=O)COc2ccccc2C#N)CCO1 372178744 MEIQURIAEGZDQB-OAHLLOKOSA-N 318.373 1.589 30 50 DDEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)CCCn2cccn2)C1 91547279 XHTVGIHWXVEJLX-MRXNPFEDSA-N 305.378 1.933 30 50 DDEA CC[C@H](CN/C(=N/C)NCc1ncnn1C)Oc1ccccc1 86667100 DUJQOUNSJYUKDH-CYBMUJFWSA-N 316.409 1.338 30 50 DDEA Cc1ccccc1-n1nc(C(=O)N[C@@H](C#N)CO)c2c1CCC2 581542669 AGEWFKKORWRLFH-LBPRGKRZSA-N 310.357 1.284 30 50 DDEA CC(C)N1C(=O)C[C@H](NC(=O)c2c(F)cc(C#N)cc2F)C1=O 127609792 GZWSOWBWCDYWFF-NSHDSACASA-N 321.283 1.102 30 50 DDEA CCn1cc([C@@H]2OCCC[C@H]2CNc2n[nH]cc2C#N)cn1 594941403 SHIGRXYVGHFKQR-SMDDNHRTSA-N 300.366 2.078 30 50 DDEA Cn1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 390833602 JZMHGCZZVZRGOZ-MRXNPFEDSA-N 309.373 1.577 30 50 DDEA Cn1ncc2c(c1=O)CCN(c1cc(C#N)ncc1Cl)C2 1875306577 KZHFIZQEUCQACF-UHFFFAOYSA-N 301.737 1.263 30 50 DDEA Cc1ncc(NC(=O)Nc2cn([C@H]3CCOC3)nn2)cc1C#N 1875405328 CVRZRHUDNHYAEK-LBPRGKRZSA-N 313.321 1.459 30 50 DDEA N#CCOc1ccccc1C(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 887019549 DCHOPDAFOZMWQF-HUUCEWRRSA-N 316.357 1.249 30 50 DDEA C=CCNS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 4813859 ZBALASWUCGLETE-UHFFFAOYSA-N 309.391 1.779 30 50 DDEA CC(NCCN1CCOCC1)=C1C(=O)c2ccccc2C1=O 100558452 QVPHYANROJTUTR-UHFFFAOYSA-N 300.358 1.261 30 50 DDEA N#Cc1c[nH]ccc1=NC[C@@H]1CCN(C(=O)Cc2ccccc2)C1 364350550 CNZSYDLEZXRUFW-INIZCTEOSA-N 320.396 1.878 30 50 DDEA C=C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 333571271 PTDTXBBJCHQPRR-YUTCNCBUSA-N 320.393 1.174 30 50 DDEA CN1C[C@@H]2[C@@H](CCCN2C(=O)COc2ccccc2C#N)C1=O 286178607 ZRTYLVSGBONWIP-ZIAGYGMSSA-N 313.357 1.016 30 50 DDEA N#Cc1ccc(-n2nc([C@H]3CCOC3)nc2Cn2ccnn2)cc1 97797391 HBVMGPGGGDQILX-ZDUSSCGKSA-N 321.344 1.283 30 50 DDEA C=CCNC(=O)CN1CCC([C@H](O)Cc2ccccc2)CC1 244712741 KWCXTQYDUBTQHY-QGZVFWFLSA-N 302.418 1.604 30 50 DDEA Cc1cc(C#N)ccc1C(=O)N1CCN(C)[C@@H](c2nccn2C)C1 275689632 QUMOMPOSKXXUFW-MRXNPFEDSA-N 323.400 1.729 30 50 DDEA CN(C)CCCOc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 169992957 GSYHMNJGRZPKFX-UHFFFAOYSA-N 306.215 1.711 30 50 DDEA Cn1c(N[C@H]2c3ccccc3C[C@H]2F)c(C#N)c(=O)n(C)c1=O 1616029573 GICUVURVXGLDGO-OLZOCXBDSA-N 314.320 1.003 30 50 DDEA Cc1cc(C)nc(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 157514099 PPQMCVXLUXFBSJ-UHFFFAOYSA-N 310.361 1.256 30 50 DDEA CC(C)(C)OC(=O)NC(=NCC(=O)O)NC(=O)OC(C)(C)C 25722668 ZJYJFQDYIMDGDG-UHFFFAOYSA-N 317.342 1.476 30 50 DDEA in-vitro C=C[C@@](C)(O)C(=O)N1CC(C)(c2nnc(-c3cccnc3)o2)C1 952893470 UFMZCZVNRZTYRK-MRXNPFEDSA-N 314.345 1.169 30 50 DDEA CO/N=C/[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OC 5209652 UGDJSTFUSFNMPI-UWJMNNEMSA-N 319.144 1.897 30 50 DDEA N#Cc1cccc(N2CCCN(C(=O)[C@H]3CCCO3)CC2)n1 361827896 DQNDRNAZUVODOH-CQSZACIVSA-N 300.362 1.171 30 50 DDEA CCn1ncnc1[C@H](C)NC(=O)c1ccc(C#CC(C)(C)O)o1 952985438 ANUVAYUIYNUMTP-NSHDSACASA-N 316.361 1.504 30 50 DDEA Cc1cc([N+](=O)[O-])nn1CCS(=O)(=O)c1cccc(C#N)c1 170594924 UNHTVFFZXXHPTQ-UHFFFAOYSA-N 320.330 1.445 30 50 DDEA Cc1nccnc1N1CCN(C(=O)c2cc(C#N)ccn2)CC1 332373713 CIMHPXZDYGSVET-UHFFFAOYSA-N 308.345 1.014 30 50 DDEA C#CCCC1(CCC(=O)N2CCOC3(CCOCC3)C2)N=N1 952882602 WAUYQBJATUMPAI-UHFFFAOYSA-N 305.378 1.750 30 50 DDEA C/C(=N\N=C(\N)S[C@@H]1CC(=O)N(C)C1=O)c1cccs1 100261999 KLPVWYSLUQQULS-CULDGANSSA-N 310.404 1.277 30 50 DDEA COc1cccc2c1OC[C@H](NC(=O)c1ccc(C#N)nc1)C2 115060524 FHIFAGXRJNPVKV-CQSZACIVSA-N 309.325 1.695 30 50 DDEA CC1(C)OB(c2cnn([C@@H]3CCCCO3)c2C=O)OC1(C)C 170007382 FBGODNQUPAADSI-ZDUSSCGKSA-N 306.171 1.694 30 50 DDEA CC#CCn1nc(CC2CCNCC2)n(-c2ccccc2)c1=O 65422657 LADXUFZXEQWFBU-UHFFFAOYSA-N 310.401 1.599 30 50 DDEA N#C[C@H]1CN(C(=O)c2ccc(-c3nnc(S)o3)cc2)CCO1 124020964 OMSWNWVXSNUJEJ-NSHDSACASA-N 316.342 1.390 30 50 DDEA CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](C2OCCO2)C1 229785733 MHAWLLNZJAKBRG-CZUORRHYSA-N 309.410 1.126 30 50 DDEA C=C(C)C(C)(C)C(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1 424828435 JBGLITJOQQADMV-CYBMUJFWSA-N 313.405 2.344 30 50 DDEA CCn1cnnc1[C@@H]1CN(C(O)=Nc2ccc(C)nc2)CCO1 328627785 NCPRYVQJUFRHOA-ZDUSSCGKSA-N 316.365 1.620 30 50 DDEA CC1(C)OB(c2ccc(S(C)(=O)=O)c(C#N)c2)OC1(C)C 219288469 RPPDBGQTTTWIJG-UHFFFAOYSA-N 307.180 1.261 30 50 DDEA N#Cc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 245311359 OAMIMFSANFVIFG-DGCHJJCJSA-N 317.348 1.945 30 50 DDEA C#C[C@H](COC)NC(=O)Cc1nnc(-c2ccccc2OC)o1 585117891 ZZXCBOHOVLSNSB-LLVKDONJSA-N 315.329 1.052 30 50 DDEA CNC(=O)[C@@H]1CCN(C(=O)c2cccc(C#CC(C)(C)O)c2)C1 1506404032 AQFOFCSVYXRGRH-OAHLLOKOSA-N 314.385 1.017 30 50 DDEA C#CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(Cc2ccccn2)C1 12434771 DGMMXTFPVLQKGT-OAHLLOKOSA-N 311.385 1.468 30 50 DDEA CC1(C)OB(c2cc(Cl)c3c(c2)NC(=O)CO3)OC1(C)C 200961173 IHGPIUMNZPHCDT-UHFFFAOYSA-N 309.558 1.970 30 50 DDEA CC(C)(CC#N)CS(=O)(=O)N1CC2(CCC2)[C@H]2COC[C@@H]21 575603798 NHOLXJVAHGGMDB-STQMWFEESA-N 312.435 1.757 30 50 DDEA CCN1CCN(C(O)=Nc2ccc(F)cn2)C[C@H]1c1ncc[nH]1 328617250 COCHMOAKCFZUNA-LBPRGKRZSA-N 318.356 1.868 30 50 DDEA CC(=O)N1CCO[C@@H]2CCN(c3c(C#N)cccc3C#N)C[C@@H]21 886051575 GQAMCKSYEQIZKB-JKSUJKDBSA-N 310.357 1.256 30 50 DDEA CO[C@@H]1CN(c2nc(C)cc(C)c2C#N)C[C@H]1c1cn(C)nn1 886079945 FFGKVESBQITXBC-DZGCQCFKSA-N 312.377 1.317 30 50 DDEA COc1ccnc(N2CC[C@](/N=C(/C)O)(c3noc(C)n3)C2)n1 328614610 WIGJZGNCDKLQGD-CQSZACIVSA-N 318.337 1.259 30 50 DDEA COC(=O)C1=C(C(C)=O)[C@H](c2ccc(C)c(C)c2)NC(=S)N1 127605037 WXOSDFJVBNGBLL-ZDUSSCGKSA-N 318.398 1.838 30 50 DDEA Cc1n[nH]c([C@@H]2CN(C(=O)/C=C/c3ccccc3C#N)CCO2)n1 173516165 CSLMEOCXICJFDD-LFAOLKIESA-N 323.356 1.598 30 50 DDEA Cn1nnc(-c2cccc(NC(=O)N3CCC[C@@H](C#N)C3)c2)n1 426730411 LTBMOKMLFIDYSU-NSHDSACASA-N 311.349 1.645 30 50 DDEA C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)CNc1ccc(C#N)cc1 585125673 AUGXPCKWWIKQFS-JMSVASOKSA-N 314.389 1.471 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)N=N1 1616032968 YDIANRZLSHYQEQ-QNWHQSFQSA-N 303.362 1.958 30 50 DDEA COc1cc(/C(O)=N/C[C@@H]2C[C@H](F)CN2c2cccnn2)on1 328622910 BPIFFMHCGKHNMF-UWVGGRQHSA-N 321.312 1.395 30 50 DDEA C#CCCC1(CCC(=O)NCc2nnc(N3CCCC3)o2)N=N1 2325891493 KJQGVLSXKKJIQD-UHFFFAOYSA-N 316.365 1.642 30 50 DDEA C[C@H](Cn1cncn1)/N=C(/O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 329621055 RKGFXHLSLYQUAD-UPJWGTAASA-N 307.398 1.470 30 50 DDEA N#Cc1ncn(CCNC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3CC2)n1 333531697 QGHFFVQFUFTDLN-XUXIUFHCSA-N 312.377 1.003 30 50 DDEA N#Cc1ccccc1OCCN1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 284666306 DMEQUOSWQFZCQM-GVDBMIGSSA-N 316.401 1.799 30 50 DDEA C=CCNC(=O)c1nnn2c1CO[C@H](c1ccc(OC)cc1)C2 263616855 KXIMMSPQPPBDPL-AWEZNQCLSA-N 314.345 1.474 30 50 DDEA COCc1nn2c(N)c(C#N)nnc2c1-c1ccc(OC)cc1 12389522 DTCLTBBSUBXMEL-UHFFFAOYSA-N 310.317 1.400 30 50 DDEA CC(C)N1C(=O)C[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)C1=O 127609956 GZWSOWBWCDYWFF-LLVKDONJSA-N 321.283 1.102 30 50 DDEA C#CCCC1(CCC(=O)N[C@](C)(Cn2cccn2)C(=O)O)N=N1 952876523 UYFSYCVSEIFLKJ-CQSZACIVSA-N 317.349 1.198 30 50 DDEA C[C@H](C#N)CNCc1c(CNC(=O)OC(C)(C)C)cnn1C 952995653 TUZOYXMWKPDUAD-LLVKDONJSA-N 307.398 1.694 30 50 DDEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)C#CC1CC1 886026671 FNTGIVLWZINRHP-PBHICJAKSA-N 301.390 1.644 30 50 DDEA O=C1CS/C(=N\N=C\c2cc(Br)ccc2O)N1 12428439 BUPWPQSTALKSKT-UUILKARUSA-N 314.164 1.708 30 50 DDEA N#Cc1ccc2c(c1)CCN[C@H]2C(=O)N1C[C@@H](N)CC2(CCC2)C1 2325769117 IOKVTEPBPFTQAN-DOTOQJQBSA-N 324.428 1.475 30 50 DDEA C=CCc1cc(CN2C[C@@H](N)C[C@H]2C(=O)NC)ccc1OC 67872923 ZWJBTHWBWRGLKE-GJZGRUSLSA-N 303.406 1.071 30 50 DDEA CN(CC(=O)N1CCO[C@@H]2CCC[C@H]21)c1ccc(C#N)cn1 230261204 CGAWOWHJOZFGOV-ZIAGYGMSSA-N 300.362 1.169 30 50 DDEA N#Cc1cnc(N2CCC[C@H]2c2nc(C(N)=O)no2)c(Cl)c1 328616188 BLCAXPKIFDWXNR-VIFPVBQESA-N 318.724 1.430 30 50 DDEA O/C(=N/[C@@H]1[C@H]2COC[C@H]21)N1CCC[C@@](O)(C(F)(F)F)CC1 329373071 JTBAHOJHOPVNBM-XNDJQWLSSA-N 308.300 1.325 30 50 DDEA N#C[C@H]1CN(C(=O)Cc2cc(F)c(F)cc2F)CCN1C1CC1 370713856 BDHMCYKYZRDVLL-LBPRGKRZSA-N 323.318 1.845 30 50 DDEA CC[C@@]1(O)CCN(c2nc3c(cc2C#N)CCCC3)C[C@H]1O 72457024 PBDMWCCRSJPZMW-NVXWUHKLSA-N 301.390 1.544 30 50 DDEA N#Cc1c[nH]c(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 426530453 NXOORECQMVCXMV-CQSZACIVSA-N 302.378 1.260 30 50 DDEA C=CC[C@@]1(CO)CCCN(c2ccc(C(=O)NCC)cn2)C1 91820270 QGEVIKRCWXUKAP-QGZVFWFLSA-N 303.406 1.986 30 50 DDEA CCN1C[C@H](C(=O)N[C@@]2(C#N)CCc3ccccc3C2)CC1=O 183946864 MEEVJGPFXGPSCB-QAPCUYQASA-N 311.385 1.422 30 50 DDEA C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NC1CCN(CC(N)=O)CC1)C2 534577410 YBRXXEKUNBPCOM-UGSOOPFHSA-N 319.449 1.435 30 50 DDEA Cn1cc(C#N)cc1C(=O)NCCc1nc(-c2cccnc2)no1 670445985 MEZVGWKOLQHKMX-UHFFFAOYSA-N 322.328 1.314 30 50 DDEA CN(C)C(=O)C[C@]1(O)CCCN(c2cccc(F)c2C#N)C1 591617576 FAYLKJWUDWOLQO-MRXNPFEDSA-N 305.353 1.507 30 50 DDEA N#Cc1cnc(SCC(=O)N2CCc3ccccc32)nc1N 4841923 BQTXEGGDMBAQJJ-UHFFFAOYSA-N 311.370 1.612 30 50 DDEA O/C(=N/[C@@H]1CCOC2(CCOCC2)C1)N1CCC(F)(F)C1 329508031 WYIFJZOLWBUHNH-LLVKDONJSA-N 304.337 1.970 30 50 DDEA N#Cc1cc2c(=O)n(C3Cc4ccccc4C3)ccc2[nH]c1=O 67758285 JZGAFPYBDDUNJR-UHFFFAOYSA-N 303.321 1.901 30 50 DDEA CNC(=NCCCOC1CCN(Cc2ccccc2)CC1)NC 253432187 WQRLLSUXZALMLR-UHFFFAOYSA-N 318.465 1.853 30 50 DDEA C=C(C)COc1cccc(NC(=O)NCCN2CCNC2=O)c1 299775364 IXNFIIYPQZIKOE-UHFFFAOYSA-N 318.377 1.788 30 50 DDEA CCC#CCN1CCC[C@@H](CNC(=O)c2c(C)ncnc2C)C1 822523034 MGCIQTTXGNVDGB-INIZCTEOSA-N 314.433 1.949 30 50 DDEA CC(C)(C)OC(=O)N[C@@H](/C=N/NC(N)=S)Cc1ccccc1 43761232 SKYFJCCKXLCCFM-YXHQGMJNSA-N 322.434 1.941 30 50 DDEA C#CCn1cc(CNS(=O)(=O)c2sccc2OC)cn1 585115248 SLRGVKWZASPPAI-UHFFFAOYSA-N 311.388 1.065 30 50 DDEA Cc1c(CN2C[C@H](Cc3ccncc3)[C@@H](O)C2)cc(C#N)n1C 1616078915 IDEDYYQNWKGBRN-WMZOPIPTSA-N 310.401 1.636 30 50 DDEA CCN1CCN(/C(O)=N/C[C@@H]2CCOC2)C[C@H]1c1ncc[nH]1 328619141 FOFQIRDNOBOYCT-STQMWFEESA-N 307.398 1.039 30 50 DDEA N#Cc1cccc(CNC(=O)N[C@H](CO)Cc2ccccc2)c1 133950627 BFZXHQLTXPJKRK-KRWDZBQOSA-N 309.369 1.961 30 50 DDEA CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccc(F)c(C#N)c1 591665623 PGLQCDQNCIAAKZ-MRXNPFEDSA-N 319.336 1.065 30 50 DDEA CNC(=O)[C@]12CCOC[C@H]1CN(c1nccc(C#N)c1Cl)C2 952849889 HNGBIZIDMKBZPB-ABAIWWIYSA-N 320.780 1.196 30 50 DDEA C=C[C@@H](CCC)CC(=O)NS(=O)(=O)c1cnn(CCF)c1 1875307031 HVVCVDKKHXVMID-NSHDSACASA-N 317.386 1.650 30 50 DDEA N#CCc1ccccc1CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 888098938 NIYNSBJARODGSL-QAPCUYQASA-N 311.385 1.469 30 50 DDEA C=CCNC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 2959111 MVJPNCCIGGAUAY-UHFFFAOYSA-N 316.810 1.717 30 50 DDEA N#CC1(C#N)[C@H]2C=C[C@H](C1(C#N)C#N)[C@]13CC(=O)O[C@@H]1C=C[C@@H]23 104281131 DNSIQTIUPSHMFJ-OSFKPRLVSA-N 302.293 1.357 30 50 DDEA COc1ccc(N/N=C2/C(=O)N(c3ccccc3)N=C2N)cc1 100295840 QZLWHGUGTLLEGL-XMHGGMMESA-N 309.329 1.782 30 50 DDEA Cc1cc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc(C)n1 216135327 FXIITBJCZOFUND-UHFFFAOYSA-N 321.384 1.928 30 50 DDEA Cc1ccc(N=C(O)N2CCO[C@@H](CN(C)CC3CC3)C2)nc1 328628229 GZZAZKNNRNDRPX-HNNXBMFYSA-N 318.421 1.978 30 50 DDEA N#C[C@@H]1CN(c2cncc(OCCO)n2)C[C@H]1c1ccccc1 366177272 JKWBXFQSDYRSND-CABCVRRESA-N 310.357 1.591 30 50 DDEA C[C@@](O)(CCc1ccccc1)C(=O)N1CCN(CC#N)CC1 283346068 XLWNSNCXMGKQMD-QGZVFWFLSA-N 301.390 1.038 30 50 DDEA CO[C@H]1C[C@@H](CN(C)CCOc2ccc(C#N)cc2)N(C)C1 285013768 ZRVHZUXXNBTXCE-RDJZCZTQSA-N 303.406 1.588 30 50 DDEA CCC[C@@H]1CN(C(=O)c2cc(C#N)c(=O)[nH]c2C)C[C@H]1C(=O)O 91872074 PYQKQOUXXFOXHL-ZWNOBZJWSA-N 317.345 1.128 30 50 DDEA CC(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(F)cc1 19790129 AEZSYDWTCKGMHF-AWEZNQCLSA-N 306.337 1.672 30 50 DDEA COCCN(CC#N)C(=O)C(=O)c1c[nH]c2cc(F)ccc12 1160823237 PLVDMSVMHLDCON-UHFFFAOYSA-N 303.293 1.488 30 50 DDEA C#CCCC1(CCNC(=O)c2cc3n(n2)CCC[C@H]3N)N=N1 2325900565 AFKURNMBSZFHNU-LLVKDONJSA-N 300.366 1.372 30 50 DDEA C#CCCC1(CCNC(=O)[C@]2(COC)CCCNCC2)N=N1 2325901240 ZEFLBESVDBDSTN-OAHLLOKOSA-N 306.410 1.475 30 50 DDEA Cc1cc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)sc1C 128980444 ZLYBZTTUWWZWIB-LBPRGKRZSA-N 300.405 1.668 30 50 DDEA CCCCN(CC#Cc1ccccc1)C(=O)CNC(=O)N(C)C 55152760 DQGLNORVLKXXTF-UHFFFAOYSA-N 315.417 1.938 30 50 DDEA CC(C)[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)O 362122824 HBPZKWNZJRRUTO-LBPRGKRZSA-N 314.338 1.226 30 50 DDEA CN[C@@H](C)c1cn([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 603233491 APABCTCYOVLBLD-LRDDRELGSA-N 324.388 1.798 30 50 DDEA N#CCC(=O)N1CCN(C(=O)c2c[nH]c3cc(F)ccc23)CC1 450124836 CZVIJTJEQADKGW-UHFFFAOYSA-N 314.320 1.505 30 50 DDEA COCCn1cnnc1[C@H](C)n1cc(-c2cccc(C#N)c2)nn1 91364734 ANRKJWSAKUXGPO-LBPRGKRZSA-N 323.360 1.664 30 50 DDEA C=C(C)CN1CCN(C(=O)CCN2CCCCCC2=O)CC1 952961460 DMZXDUWLGDUQRR-UHFFFAOYSA-N 307.438 1.499 30 50 DDEA N#CCC1(O)CN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)C1 186843099 DQNJSMUCGWDJPZ-OAHLLOKOSA-N 317.364 1.277 30 50 DDEA N#Cc1c(Cl)nsc1N1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@H](O)[C@H]21 585092075 DINMNISIJPFUSX-FWMBRPBLSA-N 323.805 1.233 30 50 DDEA C=CCN(Cc1ccco1)C(=O)C[C@H]1C[C@H](C)NC(=S)N1 209856326 QSUYBMUMGBDKKR-NWDGAFQWSA-N 307.419 1.809 30 50 DDEA O=C(O)C[C@H]1S/C(=N/N=C/c2cccc(Cl)c2)NC1=O 1152321 ZRTGMGCIYFPTCT-ISKYKNHCSA-N 311.750 1.736 30 50 DDEA CC[C@H](C)/N=C/c1c(NCCO)nc2c(C)cccn2c1=O 3167619 VJOLCJCTCKIFHM-NNLQFVHNSA-N 302.378 1.625 30 50 DDEA C=CCn1nc(C)c(CN2C[C@@H]3CCCN3C(=O)[C@@H]2C)c1C 1772712181 JASFQKRTNXVWLV-GJZGRUSLSA-N 302.422 1.881 30 50 DDEA CN(C)C(=O)C[C@]1(O)CCCN(c2ccc(F)cc2C#N)C1 591618036 NHWASPQFYMZYRU-MRXNPFEDSA-N 305.353 1.507 30 50 DDEA CC[C@@H]1CC[C@@H](C(=O)O)N1S(=O)(=O)c1ccccc1C#N 592447422 GYZMFFQCXWMWAF-NEPJUHHUSA-N 308.359 1.575 30 50 DDEA Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCC[C@H]1Oc1cnn(C)c1 888094989 ICOITIDJWGWBQT-LSDHHAIUSA-N 313.361 1.658 30 50 DDEA C#CCCC1(CCNC(=O)c2ccccc2-n2cnnn2)N=N1 2325887461 UETFLVKGWRWOPZ-UHFFFAOYSA-N 309.333 1.358 30 50 DDEA C#CCCC1(CCNC(=O)c2cn(CC3(C)COC3)nn2)N=N1 2325891226 ZAVOQXLGZDYKDU-UHFFFAOYSA-N 316.365 1.010 30 50 DDEA Cn1ncnc1[C@@H]1COCCN1c1ccc(C#N)cc1[N+](=O)[O-] 253419234 CVHHVGLXUYKQKU-ZDUSSCGKSA-N 314.305 1.173 30 50 DDEA Cc1csc(S(=O)(=O)N2CCCn3nc(C#N)cc3C2)c1 826805752 VSKMNZBWMRPPFK-UHFFFAOYSA-N 322.415 1.719 30 50 DDEA C#CCCC1(CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)N=N1 952882956 ZKHOSWBKXSTSOB-SGMGOOAPSA-N 302.378 1.455 30 50 DDEA N#C[C@@H]1CCC[C@@H]1S(=O)(=O)NCc1ccc2c(c1)OCO2 1775989581 QAZUDQWZGWLYKQ-FZMZJTMJSA-N 308.359 1.527 30 50 DDEA CC[C@@H](CC#N)NC(=O)c1nnc2ccc(Br)cn12 1775997324 BIQSASFXGHTYNF-VIFPVBQESA-N 322.166 1.914 30 50 DDEA C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)[C@H]1COc2ccccc21 245338969 PSRGNWQFNNXRNA-WBHUJUFNSA-N 313.401 1.949 30 50 DDEA CCn1nccc1N1CCC[C@@H](Nc2cncc(C#N)n2)C1=O 420612445 OYPMKHDMRITLPT-GFCCVEGCSA-N 311.349 1.172 30 50 DDEA C#CCOc1ccccc1N=C(O)N1CCN2CCOC[C@@H]2C1 328588874 RQBAZDSYPNUUOH-AWEZNQCLSA-N 315.373 1.261 30 50 DDEA CC[C@H](/N=C(/O)c1sccc1S(=O)(=O)N(C)C)[C@H](C)O 331314907 CSZKEWYJYRIBRN-IUCAKERBSA-N 320.436 1.462 30 50 DDEA Cc1nc(C)c(C#N)c(SC[C@H]2CCCS(=O)(=O)C2)n1 284342041 VJWWNTCMHABFTH-LLVKDONJSA-N 311.432 1.882 30 50 DDEA N#Cc1cc(F)c(N2CCC[C@@](O)(Cn3ccnn3)C2)c(F)c1 284702485 JYCUPWSKFJBHBS-HNNXBMFYSA-N 319.315 1.459 30 50 DDEA C[C@H]1CCCN(CCNC(=O)N2CCn3nc(C#N)cc3C2)C1 534664270 LLEMZZSRCSINFH-ZDUSSCGKSA-N 316.409 1.012 30 50 DDEA N#CC1(NC(=O)CN2CCC[C@@H](c3ccn[nH]3)C2)CCCCC1 193855596 NOPPYWGNFYNPJS-CQSZACIVSA-N 315.421 1.932 30 50 DDEA C#CCCC1(CCNC(=O)COc2cccc(CNC)c2)N=N1 2325901171 WRHWDYOGNWVDFC-UHFFFAOYSA-N 314.389 1.867 30 50 DDEA Cc1conc1N/C(O)=N/C[C@@H]1CCN(C)[C@H]1c1cccnc1 328640191 XHRRNXWTKCHCMV-KBPBESRZSA-N 315.377 2.397 30 50 DDEA NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1CC1CCOCC1 218480860 MSLPUYLFKBGCMS-UHFFFAOYSA-N 312.373 1.502 30 50 DDEA N#Cc1ncccc1S(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21 236423680 KIJDSTLJFYTZHN-QWHCGFSZSA-N 307.375 1.285 30 50 DDEA N#Cc1ncccc1S(=O)(=O)N1CCOCc2ccccc21 241693960 QJDKUTNYJBHZBR-UHFFFAOYSA-N 315.354 1.679 30 50 DDEA COc1ccc(NC(=S)N[C@@H]2CC[S@@+](=O)(O)C2)cc1 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DDEA Cn1cnc2c(c1=O)CCN(/C(O)=N/CC1(C3CC3)CCC1)C2 328622660 IPOXPKSUWSVDNW-UHFFFAOYSA-N 316.405 1.633 30 50 DDEA C[C@H]1OCCN(c2nc(C(F)(F)F)ccc2C#N)[C@@H]1C(N)=O 296273582 KMPGDITVENTBJB-XCBNKYQSSA-N 314.267 1.051 30 50 DDEA COCCCN1CC[C@H](CNC(=O)c2cccc(C#N)c2)C1 299761587 LDWFHRNUICYFBY-OAHLLOKOSA-N 301.390 1.646 30 50 DDEA CN(C)[C@H]1CCN(C(=O)c2cccc(C#CC(C)(C)O)c2)C1 952978555 YQSUAHJULRVOQK-INIZCTEOSA-N 300.402 1.585 30 50 DDEA CCn1ncc(C#N)c1NS(=O)(=O)Cc1ccccc1F 170603073 CTTONTJJDUGWDU-UHFFFAOYSA-N 308.338 1.856 30 50 DDEA Cc1cc(=N/C(O)=N/[C@H]2CCO[C@@H]2c2cnn(C)c2C)cc[nH]1 328633031 SHEVCYIIHYZXCI-LSDHHAIUSA-N 315.377 1.710 30 50 DDEA Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)O)c1C#N 905189526 MOTLXBRSWFWZBA-GFCCVEGCSA-N 322.386 1.885 30 50 DDEA CC(=O)N1C[C@H](Nc2nccnc2C#N)CC[C@H]1C(F)(F)F 886056821 GMRZOOBDXXYZDY-KOLCDFICSA-N 313.283 1.702 30 50 DDEA C#CCCC1(CCNC(=O)[C@@]2(C)CCn3c(C)nnc32)N=N1 2325891625 RIQCMDOOOQWIPA-AWEZNQCLSA-N 300.366 1.330 30 50 DDEA C#CCN(CC#N)C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 239667427 BPYYGFMJDBTOBW-AWEZNQCLSA-N 316.405 1.336 30 50 DDEA Cc1nc(NCCN2CCCC[C@H]2CO)c(C#N)cc1C(=O)O 952963356 JWVOAQDIGPIUSD-ZDUSSCGKSA-N 318.377 1.219 30 50 DDEA C#Cc1ccc(COC(=O)CN2CCCCCCC2=O)nc1 888093642 CUYWYPQGINRYIQ-UHFFFAOYSA-N 300.358 1.899 30 50 DDEA C=CCN1CC[C@]2(CCC1=O)CN(Cc1ncc[nH]1)CCN2C 107413745 KSLCLXBQFKUNCF-QGZVFWFLSA-N 317.437 1.094 30 50 DDEA CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(F)cc(C#N)c1 67947722 MFYZDOIBLFWPOR-INIZCTEOSA-N 319.380 1.880 30 50 DDEA CN1CCc2ccc(NC(=O)C3(C#N)CCOCC3)cc2C1=O 151139314 NZLCZHMEXYDWJP-UHFFFAOYSA-N 313.357 1.574 30 50 DDEA CC[C@H](C#N)S(=O)(=O)N(C)[C@@H](C)[C@H]1Cc2ccccc2O1 252517882 UFIXSSPFDUCCHW-NJZAAPMLSA-N 308.403 1.942 30 50 DDEA O/C(=N/[C@@H]1CCc2c[nH]nc2C1)N1CCC[C@@H](n2cncn2)C1 329851532 TVONQLPLIOZEPA-CHWSQXEVSA-N 315.381 1.110 30 50 DDEA C[C@H](O)[C@@H](/N=C(/O)C1CC1)C(=O)N1C[C@H](C2CC2)O[C@H](C)C1 329928562 MOKIOUKBWLJESW-RDBQEKCUSA-N 310.394 1.128 30 50 DDEA 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C=CC[C@H](C(=O)NC[C@H](O)[C@H]1COC(C)(C)O1)c1ccccc1 1615606127 SGEUMLJOIXIYFY-HRCADAONSA-N 319.401 1.975 30 50 DDEA C=CCOc1ccc(C(=O)N2CC(n3ccnn3)C2)cc1OC 374824308 WXNQMQJJXAXXTH-UHFFFAOYSA-N 314.345 1.549 30 50 DDEA CC#CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 1875376685 FRLDTPVAWZUXMD-RFBLXINOSA-N 302.418 1.990 30 50 DDEA O=C(N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)[C@H]1CO1 1875372216 ADNTZNRTBAUHLU-GXSJLCMTSA-N 314.263 1.022 30 50 DDEA COc1ccc(S(=O)(=O)NCC#CCN(C)C)cc1Cl 1775998231 CIXCIPSAVQAVMY-UHFFFAOYSA-N 316.810 1.192 30 50 DDEA N#Cc1ccc(CS(=O)(=O)N2CC(OC(F)F)C2)cc1 341539261 OOVCFSUVBCRYNJ-UHFFFAOYSA-N 302.302 1.311 30 50 DDEA N#Cc1c[nH]ccc1=NC[C@H]1CN(Cc2ccccc2)CCO1 364311377 BFBIBEKQPWBRHY-KRWDZBQOSA-N 308.385 1.688 30 50 DDEA C=C[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=C)C 266817 RKOCUCLKSYBFMT-SECBINFHSA-N 306.391 1.666 30 50 DDEA CCS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@@H](C#N)C2)cc1 20295072 LAVRBKDYJZSYQM-LBPRGKRZSA-N 321.402 1.824 30 50 DDEA N#Cc1c[nH]c(C(=O)NCc2csc(-c3ncccn3)n2)c1 426389227 HJBDXBDSMUSHEC-UHFFFAOYSA-N 310.342 1.730 30 50 DDEA C=CCc1cc(CN2CC[C@H](O)[C@H](O)C2)cc(OCC)c1OC 823358227 KBSSHTHBSRGJMQ-JKSUJKDBSA-N 321.417 1.750 30 50 DDEA CC1(C)CN(c2ccc([N+](=O)[O-])c(C#N)c2)CCN1CCO 302539122 NISSZOQSTRDZPE-UHFFFAOYSA-N 304.350 1.359 30 50 DDEA CN1CCN(C(=O)c2ccc(C#N)cc2)C[C@@H]1c1nccn1C 276856621 ZZUHFVJXUZYUIV-OAHLLOKOSA-N 309.373 1.421 30 50 DDEA Cc1noc([C@H]2C[C@@H](O)CN2Cc2ccc(F)cc2C#N)n1 328636964 VVIVZXXBKHKKDW-ZIAGYGMSSA-N 302.309 1.697 30 50 DDEA C#CCCC1(CCNC(=O)c2cn3cc(CN)ccc3n2)N=N1 2325900649 DAGZIGYFWJQFDN-UHFFFAOYSA-N 310.361 1.488 30 50 DDEA C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 4437069 LLBYUUOSUZGLAN-UHFFFAOYSA-N 306.343 1.996 30 50 DDEA CO[C@@H]1CCCN(/C(O)=N/C2CCN(C(=O)C3CC3)CC2)C1 328908480 MCKPOJDNSVLHMH-CQSZACIVSA-N 309.410 1.412 30 50 DDEA C=CCNC(=O)CSc1nnc(-c2cc(C)n(C)n2)n1CC 2793368 SIUJATORXBRYJJ-UHFFFAOYSA-N 320.422 1.401 30 50 DDEA Cn1nccc1[C@@H]1OCC[C@H]1C(O)=Nc1nnc2ccccn12 328645649 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DDEA N#C[C@H]1CN(C(=O)Cc2n[nH]c3ccccc23)CCN1C1CC1 371623168 XFLIFTMPVITCDB-ZDUSSCGKSA-N 309.373 1.304 30 50 DDEA N#Cc1cc(F)cc(C(=O)N2CCC[C@]3(CC2)CNC(=O)O3)c1 72138949 DAOKMBCWWMLVPM-INIZCTEOSA-N 317.320 1.802 30 50 DDEA N#Cc1cccnc1N1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1 284702506 JYDYZUYGICJUNK-UONOGXRCSA-N 300.362 1.060 30 50 DDEA Cc1n[nH]c(C)c1CC(=O)N1CC(Oc2ccc(C#N)cc2)C1 189755897 XWLVDOHHOQHVNH-UHFFFAOYSA-N 310.357 1.731 30 50 DDEA CO[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)C[C@H]1c1cnn[nH]1 591629881 PDTYZCWWINRFPC-XJKSGUPXSA-N 324.388 1.569 30 50 DDEA CC#CC(=O)N(C)C[C@@H]1CCCN(CC)[C@@H]1c1cnn(C)c1 855567360 SLUORVJPOITLNI-YOEHRIQHSA-N 302.422 1.675 30 50 DDEA CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cc(C#N)c[nH]2)cn1 328619491 FWNGEDMRUXKXAB-DZGCQCFKSA-N 313.361 1.753 30 50 DDEA C=CCn1cc(CN2CCC[C@H](CN3CCN(C)CC3)C2)cn1 215379106 VRJOLMWTHOSMDK-QGZVFWFLSA-N 317.481 1.529 30 50 DDEA Cc1nc(O)c(C#N)cc1C(=O)N1CCO[C@H](C(F)(F)F)C1 71765172 YJLFWWBWVHMJTH-JTQLQIEISA-N 315.251 1.371 30 50 DDEA 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CCN(CCC#N)C(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 278494985 CGGPQGMIWPTRID-UHFFFAOYSA-N 314.267 1.801 30 50 DDEA CC(C)[C@H](NC(=O)c1ccccc1)C(=O)/N=C1/NCCS1 468659 ZPVOJNWKXNOTAX-LBPRGKRZSA-N 305.403 1.660 30 50 DDEA CC(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(F)cc1 19790130 AEZSYDWTCKGMHF-CQSZACIVSA-N 306.337 1.672 30 50 DDEA CC1(C)OB(c2ccc(CN3C(=O)C=CC3=O)cc2)OC1(C)C 169745735 DROVAVNVMSFFHB-UHFFFAOYSA-N 313.162 1.411 30 50 DDEA CN(C[C@H]1CCc2nccn2C1)S(=O)(=O)CC1(C#N)CC1 328629562 OZDFWLVXRGOCKH-GFCCVEGCSA-N 308.407 1.011 30 50 DDEA COc1cc(OCC(=O)N2CCOC[C@H]2C2CC2)ccc1C#N 377241387 FLHCJYHYFNMVQT-HNNXBMFYSA-N 316.357 1.583 30 50 DDEA CNC(=O)[C@@]1(COC)CCCN1Cc1ccc(C#N)c(OC)c1 591630088 XQJYOWIMNJQCBC-KRWDZBQOSA-N 317.389 1.294 30 50 DDEA C=CCc1cc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)ccc1OC 1704352733 FBRXMVYSCKAPOC-CVEARBPZSA-N 316.401 1.371 30 50 DDEA N#Cc1cnc(N2CCO[C@@H](CN3CCOCC3)C2)c(Cl)c1 952992164 BBBVDYZSHFXMTP-ZDUSSCGKSA-N 322.796 1.144 30 50 DDEA C#CCCC1(CCC(=O)Nc2cnc(O)c(C(=O)O)c2)N=N1 2325900807 JZMNMODOMFNXQD-UHFFFAOYSA-N 302.290 1.780 30 50 DDEA N#CCCn1cc(C(=O)N2CCOCC2)c(-c2cccs2)n1 3410563 CBSRGSOHQNSQRM-UHFFFAOYSA-N 316.386 1.998 30 50 DDEA CCCCNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 170006899 IHDBHUDHDLXUHV-UHFFFAOYSA-N 304.199 1.911 30 50 DDEA N#Cc1cccc(OCCN2CCN([C@@H]3CCC[C@H]3O)CC2)c1 363731559 SGLJPJZWJMOBRP-QZTJIDSGSA-N 315.417 1.468 30 50 DDEA CN1CCO[C@@H](CN(CC2CC2)C(=O)c2cc(C#N)c[nH]2)C1 276444008 MFPNUEPQNZIFRY-CQSZACIVSA-N 302.378 1.069 30 50 DDEA COC(=O)c1cc(OC)c(OC)cc1B1OC(C)(C)C(C)(C)O1 169746460 TUPWLISYCDGHEO-UHFFFAOYSA-N 322.166 1.790 30 50 DDEA in-vitro N#C[C@H]1CCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 2325777219 MUJZMYAAYZHQFD-CYBMUJFWSA-N 302.359 1.549 30 50 DDEA N#Cc1cc(S(=O)(=O)NCC[C@H]2CCCNC2)ccc1F 110792463 XNLZHBSBBAJXMI-LLVKDONJSA-N 311.382 1.365 30 50 DDEA C=CCCC[C@H](C)NC(=O)c1cc(S(N)(=O)=O)oc1C 225564895 SGZHVYNANCMDRT-VIFPVBQESA-N 300.380 1.710 30 50 DDEA Cc1noc([C@H](/N=C(/O)c2nccnc2N)C2CCOCC2)n1 328608922 BSADWMIUEPYYDJ-SNVBAGLBSA-N 318.337 1.223 30 50 DDEA N#Cc1cccc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)c1 299745819 SQHPBCOBESTQKE-CVEARBPZSA-N 317.364 1.329 30 50 DDEA CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)C[C@@H]2CCCO2)C1 170609378 GGWIFTWVACEXFN-NSHDSACASA-N 310.350 1.612 30 50 DDEA Cc1cc(C[C@@H]2CN(c3nc(C)cc(C)c3C#N)C[C@H]2O)on1 1704300746 YZNBAPQDWSOPTF-CZUORRHYSA-N 312.373 1.906 30 50 DDEA CC#CC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 855538333 DFFLSNROEVUVBJ-NSHDSACASA-N 310.275 1.646 30 50 DDEA Cc1nc(N2C[C@@H]3COCC[C@]3(C(N)=O)C2)c(Cl)cc1C#N 952850501 MNHDOJDCIPINEN-ABAIWWIYSA-N 320.780 1.243 30 50 DDEA C#CCCC1(CCC(=O)NCC(C)(C)N2CCN(C)CC2)N=N1 952883617 XXMHRYDMDUEHOA-UHFFFAOYSA-N 319.453 1.484 30 50 DDEA O=C([C@@H]1CO1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 1875373148 VBLRYOFPWPVNJS-STQMWFEESA-N 317.320 1.862 30 50 DDEA C#CCCC1(CCC(=O)N2CC(c3ncc(CO)o3)C2)N=N1 2325900285 SHIKCRZUQFSJHB-UHFFFAOYSA-N 302.334 1.448 30 50 DDEA C#CCCC1(CCNC(=O)C[C@H](N)c2ccc(OC)nc2)N=N1 2325901219 YJFOVKSRISIEGS-ZDUSSCGKSA-N 315.377 1.562 30 50 DDEA COc1cc(Br)c(O)c(/C=N/NC(N)=S)c1 1392949 FJXMFGLNGKNABH-UUILKARUSA-N 304.169 1.330 30 50 DDEA N#Cc1ccc(C(=O)NC[C@H]2CCCN(c3ccccn3)C2)cn1 244691907 JLARXTMZTIDLDN-CQSZACIVSA-N 321.384 1.995 30 50 DDEA Cc1cccc(N2C[C@H](Nc3ncc(C#N)c(N)n3)CC2=O)c1 826799216 PKTLPUYILCMAKG-GFCCVEGCSA-N 308.345 1.456 30 50 DDEA CO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)nc2)C12CCC2 578595233 OZDJCKSFOFSOPR-ZIAGYGMSSA-N 321.402 1.531 30 50 DDEA CC(C)(C#N)CS(=O)(=O)NC(=O)C(F)(F)C1CCOCC1 791865157 CYNHMXFGQLFKGB-UHFFFAOYSA-N 324.349 1.044 30 50 DDEA Cc1n[nH]c(N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)nc1=O 16974244 TYJXYOANXFRADL-WLRTZDKTSA-N 308.685 1.481 30 50 DDEA C#CC[C@@H](CO)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 864095374 IEVZMEZHWIFGIR-KBPBESRZSA-N 321.446 1.568 30 50 DDEA N#C[C@@H]1CN(C(=O)c2ccc(-n3cccn3)nc2)CCC1(F)F 1875296841 RKGZIKVWIASURP-GFCCVEGCSA-N 317.299 1.888 30 50 DDEA C=CCn1nnc(NC(=O)c2cccc(Br)c2)n1 10010703 QHLMOZSBCFQUJJ-UHFFFAOYSA-N 308.139 1.874 30 50 DDEA C#CC[C@@H]1NC(=O)N(Cc2cc(C(=O)OC)ccc2Cl)C1=O 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315.352 1.316 30 50 DDEA CCNCC1CCN(S(=O)(=O)c2cccc(C)c2C#N)CC1 237054775 FBZFPOJHVXNKER-UHFFFAOYSA-N 321.446 1.877 30 50 DDEA CNC(=O)C[C@]1(O)CCCN(Cc2ccc(Cl)cc2C#N)C1 591648699 XQGRZOGFPJPKHY-MRXNPFEDSA-N 321.808 1.675 30 50 DDEA CN(C)CC#CCNC(=O)NC1CCN(c2ccccc2)CC1 952878367 CXDSSAFXRUKORK-UHFFFAOYSA-N 314.433 1.520 30 50 DDEA C#CCCC1(CCNC(=O)COCc2ccc(OC)nc2)N=N1 2325891331 ADUQCKBKFABGRU-UHFFFAOYSA-N 316.361 1.689 30 50 DDEA C#CCCC1(CCC(=O)Nc2c[nH]nc2C(=O)NC2CC2)N=N1 2325894938 ZDDKXTQVJQXJTE-UHFFFAOYSA-N 314.349 1.596 30 50 DDEA N#CC(C#N)=NNc1cccc2c(S(=O)(=O)O)cccc12 2934014 CQIZVYRFNJURTP-UHFFFAOYSA-N 300.299 1.902 30 50 DDEA CC1(C)CC(=O)C(=CNc2ccc(S(N)(=O)=O)cc2)C(=O)C1 100244565 XQPYSOOEMUSIGI-UHFFFAOYSA-N 322.386 1.588 30 50 DDEA C=CCC(NC(=O)OC(C)(C)C)(C(=O)OCC)C(=O)OCC 74938119 JZHKOSHRDYOGFE-UHFFFAOYSA-N 315.366 1.952 30 50 DDEA CN1C(=C2C(=N)N3CSC[C@@H]3C2=O)N(C)c2ccccc21 334157815 QKPYTEYSQMQZFG-LLVKDONJSA-N 300.387 1.719 30 50 DDEA N#C[C@@H]1CCCN(C(=O)c2cnc(-c3ccccc3)[nH]c2=O)C1 91907803 CDPCJVPKUIJQIU-LBPRGKRZSA-N 308.341 1.813 30 50 DDEA CCCn1cc(CNC(=O)c2ccc(C#CC(C)(C)O)o2)cn1 952978760 SXLULEYNZJDUMQ-UHFFFAOYSA-N 315.373 1.939 30 50 DDEA C=CCOc1ccccc1C(=O)N[C@@H](CO)c1cncn1C 585131123 MKROKCMRJAIUHW-ZDUSSCGKSA-N 301.346 1.448 30 50 DDEA Cc1nnc([C@H]2CN(C(=O)c3cccc(C#N)c3)C[C@@H](C)O2)o1 598319597 KDAQRURJYNKJBG-QMTHXVAHSA-N 312.329 1.852 30 50 DDEA CN1CCC[C@]2(C(=O)O)CCN(c3ncccc3C#N)C[C@@H]12 1704345442 YHRJGMKYWIULLQ-CJNGLKHVSA-N 300.362 1.329 30 50 DDEA N#Cc1csc(CN2CCC[C@@H]2c2nc(C(N)=O)no2)c1 328627250 FXVNTEYHVJWXJE-SNVBAGLBSA-N 303.347 1.439 30 50 DDEA CC#CC(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 922284016 LYSDAFCLYXCHKK-GOSISDBHSA-N 312.369 1.040 30 50 DDEA O=C(O)[C@@H](Cc1ncc[nH]1)/N=C\c1cccc([N+](=O)[O-])c1O 104212093 ZUZIZJCOJDUNRB-UIKYOSCFSA-N 304.262 1.138 30 50 DDEA CC(O)=Nc1ccn([C@@H]2CCN(C(=O)[C@@H]3CC[C@@H](C)O3)C2)n1 328611606 LZHOMLXREDVETF-RTXFEEFZSA-N 306.366 1.832 30 50 DDEA Cc1ncccc1O[C@@H]1CCN(S(=O)(=O)CC2(C#N)CC2)C1 328616622 BWQREXCCEWJYBE-CYBMUJFWSA-N 321.402 1.477 30 50 DDEA CCN1C[C@H](C)[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C1 229310773 RAXSDFZYZAPKJG-HZMBPMFUSA-N 311.382 1.316 30 50 DDEA CCN(C(=O)c1ccc(C#CC(C)(C)O)cc1)[C@H]1COC[C@@H]1O 219568520 UNCBJVWACXMIFT-HOTGVXAUSA-N 317.385 1.031 30 50 DDEA C[C@H](CN(C)C)[C@@H]1CCCCN1S(=O)(=O)CCCC#N 585114899 DWOHYCQVGDCRBE-KGLIPLIRSA-N 301.456 1.672 30 50 DDEA C[C@](C#N)(NC(=O)CN1CCC[C@@H](c2ncc[nH]2)C1)C1CC1 195532628 PZEINXUFNQPJJE-MLGOLLRUSA-N 301.394 1.398 30 50 DDEA CN(C[C@@H]1CCOC1)C(=O)NCCNc1cccc(F)c1C#N 195534987 NYISOMKXEZCKHD-LBPRGKRZSA-N 320.368 1.787 30 50 DDEA C=CCNCC[C@H]1CCC(=O)N1C1CCN(C(=O)OCC)CC1 14962649 OZGWHDGEDBUKMZ-CQSZACIVSA-N 323.437 1.764 30 50 DDEA N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)c(Cl)c1 126059291 UFWZTUHBKIPBKX-SECBINFHSA-N 314.750 1.307 30 50 DDEA Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)COCC1CC1 114988517 ADBHNDDRGILZMQ-UHFFFAOYSA-N 308.359 1.098 30 50 DDEA COC(=O)[C@@H]1C(=O)[C@H](C(=O)/C=C/c2ccco2)C(=O)CC1(C)C 100150825 OZNNWTQYFYFKJQ-AFJNRPGYSA-N 318.325 1.835 30 50 DDEA biogenic Cn1ncc2c(N3CCN(c4cc(C#N)ccn4)CC3)ccnc21 286310593 ZDSZLCJNUOKHPK-UHFFFAOYSA-N 319.372 1.562 30 50 DDEA CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)C(C)(C)C#N)C[C@@H]2C1 170619253 FKHAHSWOIKQINK-TXEJJXNPSA-N 307.394 1.861 30 50 DDEA O=C1CS/C(=N\N=C\c2cc(O)ccc2Br)N1 1212282 UZIOJWBFMYZOQM-UUILKARUSA-N 314.164 1.708 30 50 DDEA CC#CCN(C)S(=O)(=O)c1ccc(C(=O)O)cc1Cl 871968912 HPFYAIXWKKZFKW-UHFFFAOYSA-N 301.751 1.682 30 50 DDEA CC#CCCNC(=O)c1cc(Br)cc2nn[nH]c12 2325700755 ZODRVVQKCWQSQB-UHFFFAOYSA-N 307.151 1.864 30 50 DDEA C#CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100633580 OYFYNEJLBWQGIQ-DARAHFNDSA-N 321.332 1.788 30 50 DDEA Cc1cc(CC(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)n[nH]1 153565752 MLJWGAIDLSDNAE-OAHLLOKOSA-N 323.400 1.918 30 50 DDEA C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 241969567 UXNGVKGETUAPFM-RRFJBIMHSA-N 304.394 1.498 30 50 DDEA N#Cc1cccc(CN2CCN(c3cnccn3)C[C@H](O)C2)c1 97076335 VDDWQLICDRBYEJ-MRXNPFEDSA-N 309.373 1.031 30 50 DDEA CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@H](C)C2(C)CC2)CC1 110705507 IQSVDOVYUGGYPF-HZPDHXFCSA-N 320.481 1.799 30 50 DDEA Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)C#CC2CCOCC2)cn1 888095095 OWDHYNYEXWXNPX-JKSUJKDBSA-N 317.389 1.266 30 50 DDEA CC(C)[C@H](/N=C(/O)N1CCN(C2CC2)CC1)c1nncn1C 329501987 KOUMOVCTACYWKX-ZDUSSCGKSA-N 306.414 1.206 30 50 DDEA CC(C)[C@](C)(C#N)NC(=O)CN1CCCC[C@H]1C1OCCO1 252474579 HTDGFFQDVKLWMX-BBRMVZONSA-N 309.410 1.268 30 50 DDEA Cc1noc(C)c1/C(O)=N/C1CC(N(CC(=O)O)CC2CC2)C1 328651774 WAQKBNLWLAHWSO-UHFFFAOYSA-N 321.377 1.924 30 50 DDEA CCn1nncc1/C(O)=N/[C@H]1CCc2nc(C(C)C)nn2C1 328907100 BXHKROIXRPBBJA-JTQLQIEISA-N 303.370 1.333 30 50 DDEA C#Cc1ccc(CN2CC[C@H](CNC(=O)C3CC3)[C@@H](O)C2)cc1 1565511994 ZQBFSKDOZBKQHT-MSOLQXFVSA-N 312.413 1.377 30 50 DDEA CCCCNc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)CO 1615050719 ADVBISQKXHZLRN-NSHDSACASA-N 311.407 1.429 30 50 DDEA Cc1c(C(=O)O/N=C(\N)c2ccccn2)cccc1[N+](=O)[O-] 18173063 ATMAFVHDJOILER-UHFFFAOYSA-N 300.274 1.776 30 50 DDEA Cc1cc(=O)c(-c2noc([C@@]3(C#N)CCOC3)n2)c2n1CCC2 1857527526 FTRJWVABWMHVBG-MRXNPFEDSA-N 312.329 1.335 30 50 DDEA CO[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@H]1c1cnn[nH]1 591631133 XWXLTTXGQFZYRW-SMDDNHRTSA-N 303.753 1.949 30 50 DDEA Cc1nc(NC[C@]2(CO)COC[C@@H](C)N2)c(Cl)cc1C#N 1775990125 UZWYOLANLJLETG-OTYXRUKQSA-N 310.785 1.066 30 50 DDEA C#CCCC1(CCC(=O)NCc2c(C)cc(C)n(C)c2=O)N=N1 2325892814 HBOGOVWHFYAMFS-UHFFFAOYSA-N 314.389 1.974 30 50 DDEA C#CCCC1(CCC(=O)NCCn2nnc3ccccc32)N=N1 2325892834 INTWJHNSLHSPCL-UHFFFAOYSA-N 310.361 1.903 30 50 DDEA CC[C@H](CO)N/C=C1\C(=O)CC[C@@H](C(=O)c2ccccc2)C1=O 100157194 UMQNSZXPLHKZRR-OPBFZPCWSA-N 315.369 1.662 30 50 DDEA Cc1nn(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c(N)c1C#N 170005620 SDHPUFDTINXHMY-UHFFFAOYSA-N 324.193 1.934 30 50 DDEA CC(C)(C)OC(=O)N1CCN(c2ccc(/C(N)=N\O)cc2)CC1 3883826 XNXLELZXYPNZRJ-UHFFFAOYSA-N 320.393 1.838 30 50 DDEA CN(CCN(C)C1CC1)C(=O)/C=C/C/N=C(/O)OC(C)(C)C 328597820 IWJDFVVEWKLJTG-VOTSOKGWSA-N 311.426 1.824 30 50 DDEA Cc1cc(N2C(=O)[C@H]3CCCCCN3C2=O)nn1CCC#N 367701126 FEACFUDBJUGBGZ-GFCCVEGCSA-N 301.350 1.816 30 50 DDEA CN(C)[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@@H]1n1ccnn1 858757269 ILLDHSQRAIDROA-CABCVRRESA-N 316.796 1.795 30 50 DDEA N#Cc1cn[nH]c1C(=O)N1C[C@H](CO)Cc2cccc(F)c21 1875294498 UINMKXFWRLVBMT-SECBINFHSA-N 300.293 1.232 30 50 DDEA CC(=O)N1CCO[C@@H]2CCN(c3nc(C)ccc3C#N)C[C@H]21 886044627 CEONJDGXXZUBDO-HUUCEWRRSA-N 300.362 1.088 30 50 DDEA CCc1cc(C(=O)N2CC[C@H](n3ccc(N=C(C)O)n3)C2)n[nH]1 328613181 RAJQNGJBAOLWDM-LBPRGKRZSA-N 316.365 1.864 30 50 DDEA CCN1CCN(/C(O)=N/Cc2ccco2)C[C@@H]1c1nccn1C 328614542 AILMYWWIRCUSJM-CQSZACIVSA-N 317.393 1.806 30 50 DDEA C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CO)C1CCOCC1 239722371 CCNKIIFLZJFNON-MLGOLLRUSA-N 318.373 1.229 30 50 DDEA C=C(C)COc1ccccc1NC(=O)N1CCOC[C@@H]1CO 96167106 PVIJFBKSXJLQBO-ZDUSSCGKSA-N 306.362 1.867 30 50 DDEA COC[C@@H]1C[C@@H](OC)CN1C(=O)Cc1cccc(OCC#N)c1 583619087 PDXXCPFDOPOGIE-GOEBONIOSA-N 318.373 1.394 30 50 DDEA C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 191582872 RUCOQGUJIZXTPS-ZFWWWQNUSA-N 314.389 1.417 30 50 DDEA COCC[C@@H]1COCCN1C(=O)[C@@H](C)/N=C(/O)c1ccoc1 330900166 AIGDXFGJSKIEAI-DGCLKSJQSA-N 310.350 1.237 30 50 DDEA C=CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=C)C 2388429 CQDXTKVNUNIORP-UHFFFAOYSA-N 306.391 1.288 30 50 DDEA BrC12CC3C[C@@H](C1)C(=NNc1nnn[nH]1)[C@@H](C3)C2 100387279 ILJKSMXXLBSGCP-XTOKUROSSA-N 311.187 1.941 30 50 DDEA N#Cc1cccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)c1 230113921 HUFWUUAIDRXDBY-CABCVRRESA-N 306.387 1.890 30 50 DDEA Cc1cc(CN2CCN(C3CC3)[C@@H](C#N)C2)ccc1-n1cncn1 371325010 BNTMRWHCABKHNH-KRWDZBQOSA-N 322.416 1.748 30 50 DDEA N#CCN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 95364959 RQHUDFZNEPJVMX-JTQLQIEISA-N 308.135 1.194 30 50 DDEA CS(=O)(=O)N1CCCC[C@H]1CCNc1cccc(C#N)n1 826791886 DDBJKZOKYZBZLR-ZDUSSCGKSA-N 308.407 1.569 30 50 DDEA C=C(C)CS(=O)(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O 189715984 VHJSHDCWYOHOQF-GFCCVEGCSA-N 324.402 1.296 30 50 DDEA C=CCN1C(=O)NC(=O)/C(=C\c2ccc(O)c(OCC)c2)C1=O 13511691 SSEORFZTLLHNDN-DHZHZOJOSA-N 316.313 1.439 30 50 DDEA C=C(C)COCCNC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O 241470670 NWYZCBOMJYABGW-KFWWJZLASA-N 312.410 1.151 30 50 DDEA C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 952961742 RRSAKZCZTKSAOF-UPJWGTAASA-N 312.410 1.685 30 50 DDEA COC1(c2ccnn2C)CN(c2ccc(C#N)cc2[N+](=O)[O-])C1 952994074 OZLBKNPPHXBFRB-UHFFFAOYSA-N 313.317 1.562 30 50 DDEA C#CCCC1(CCNC(=O)c2cccnc2-n2cncn2)N=N1 2325887391 MZXBQUQKYDJTER-UHFFFAOYSA-N 309.333 1.358 30 50 DDEA CN1CC[C@@H](C/N=C(/O)CN2CCOCC2)[C@@H]1c1cccnc1 328623133 IXDBQIXJSWKJQI-RDJZCZTQSA-N 318.421 1.363 30 50 DDEA Cc1cc(C)n2c(CN3CCN(C4CC4)[C@@H](C#N)C3)cnc2n1 371327070 LVPAEUPURCOADU-HNNXBMFYSA-N 310.405 1.518 30 50 DDEA N#Cc1c[nH]c(C(=O)N2CCN(C3Cc4ccccc4C3)CC2)c1 426487344 KLNLASKWILUAID-UHFFFAOYSA-N 320.396 1.812 30 50 DDEA C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1=NN2CCCN=C2N1 597796070 ILMJUHOBCPKJMQ-NSHDSACASA-N 310.361 1.056 30 50 DDEA COC(=O)CN1CCN(c2nc(C)c(C#N)cc2Cl)CC1 359835428 DJTSJWROJDPRBP-UHFFFAOYSA-N 308.769 1.210 30 50 DDEA Cc1cc(C(=O)O/N=C(\N)c2ccncc2)ccc1[N+](=O)[O-] 18250250 IWQBFACHNUUVAN-UHFFFAOYSA-N 300.274 1.776 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@H](c3nncn3C)C2)N=N1 952882650 WKRUOGBQTLYIKW-ZDUSSCGKSA-N 314.393 1.877 30 50 DDEA C#CCCC1(CCNC(=O)[C@H]2CCCc3nnn(C)c32)N=N1 2325891580 PAJGNSUBXGQLHB-NSHDSACASA-N 300.366 1.317 30 50 DDEA CN1CCc2nc(SCC(=O)NC(C)(C)C)c(C#N)cc2C1 20406586 PUJGYJMBKDYEAM-UHFFFAOYSA-N 318.446 1.948 30 50 DDEA N#C[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)CCN1C1CC1 370371999 RMSFLGFUPMYCAB-CQSZACIVSA-N 309.373 1.304 30 50 DDEA N#Cc1ncccc1NC[C@]1(N2CCOCC2)CCCOC1 377414248 UKWTYIMRGAPZMS-MRXNPFEDSA-N 302.378 1.247 30 50 DDEA Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H]([C@H](C)N)C1 226943115 TXYIXURMRFUECX-GXTWGEPZSA-N 307.419 1.615 30 50 DDEA CCCCCCCC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 585089718 WCPUMWSTAUVLKB-HNNXBMFYSA-N 317.451 1.763 30 50 DDEA CN(C[C@@H]1CCOC1)C(=O)c1cccc(C#CC(C)(C)O)c1 952966759 GFSWOUHSGMSZJJ-HNNXBMFYSA-N 301.386 1.918 30 50 DDEA C=C(C)C[C@H](C)C(=O)NCCCn1cnc2c(N)ncnc21 585127104 QAGGZXBDHFPMGD-NSHDSACASA-N 302.382 1.517 30 50 DDEA Cc1cc(C#N)c(N2CCOC3(CCN(C)CC3)C2)nc1C 1772814547 GMAGNAJZJOIKOL-UHFFFAOYSA-N 300.406 1.871 30 50 DDEA COc1cc(CNC[C@@H]2CN(C3CC3)CCO2)ccc1C#N 374137762 ZGTBHKXCBFALGH-MRXNPFEDSA-N 301.390 1.520 30 50 DDEA C=C1CC(C)(C(=O)N[C@@H]2COC[C@@H]2NC(=O)C2(C)CC(=C)C2)C1 888042040 PDKLUIDEUYPYMZ-OKILXGFUSA-N 318.417 1.699 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)N=N1 2325886284 CWLCHXSJIOELKY-LLVKDONJSA-N 316.365 1.572 30 50 DDEA CC(=O)N1C[C@@H](O)C[C@@H]1/C(O)=N/[C@H]1CCOc2ccccc21 330299722 MNYKTALIVBLOGM-FPMFFAJLSA-N 304.346 1.448 30 50 DDEA C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccoc1 129285115 FKEQFHLJBZPXRE-GFCCVEGCSA-N 311.345 1.221 30 50 DDEA N#Cc1cc(NCCCN2CCOCC2)c([N+](=O)[O-])cc1C#N 19875134 UNYCNKNHDGJZBP-UHFFFAOYSA-N 315.333 1.472 30 50 DDEA Cc1nsc(N2CCN(C(=O)c3csnn3)CC2)c1C#N 292132652 SPXWYWGOXVIXTK-UHFFFAOYSA-N 320.403 1.137 30 50 DDEA N#Cc1c[nH]c(C(=O)N[C@H]2COCC[C@@H]2Oc2ccccn2)c1 1565527549 VLBQZBQNTXUMOO-KBPBESRZSA-N 312.329 1.248 30 50 DDEA Cn1cc(CNC[C@]2(N3CCOCC3)CCSC2)cc1C#N 190850100 MYYKAMOLBJCQPR-MRXNPFEDSA-N 320.462 1.194 30 50 DDEA CC1(C)OB(c2ccc(N3CCC(O)CC3)nc2)OC1(C)C 203626976 CVRYQXAICIPVAN-UHFFFAOYSA-N 304.199 1.342 30 50 DDEA CC(C)C(=O)Nc1cc(C(=O)N2CC[C@@](O)(CC#N)C2)ccn1 592854735 ZJOJGVMTFBFEIX-INIZCTEOSA-N 316.361 1.167 30 50 DDEA CCc1nsc(N2CCN(c3ccc(C#N)nc3)CC2)n1 267423838 VBRGKOVTGRONQO-UHFFFAOYSA-N 300.391 1.694 30 50 DDEA C#CCCC1(CCC(=O)N2CCO[C@@]3(CCCOC3)C2)N=N1 952881532 NOESJHCRPDGQSZ-HNNXBMFYSA-N 305.378 1.750 30 50 DDEA CCCn1cc(Cl)c(C(=O)N[C@H]2CCCN(O)C2=O)n1 1875301917 WAPDYOXGUDUBJW-VIFPVBQESA-N 300.746 1.057 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H]2CCc3nnc(O)cc3C2)N=N1 2325887420 PWNKKQWRZGUFSA-LLVKDONJSA-N 313.361 1.369 30 50 DDEA C=CCN1CCN(C(=O)[C@H](C)Oc2ccccc2OC)CC1 20311836 XTBGCDPQRFYSFL-AWEZNQCLSA-N 304.390 1.793 30 50 DDEA CC(=O)N1C[C@@H](O)C[C@@H]1/C(O)=N/[C@@H]1CCOc2ccccc21 330299723 MNYKTALIVBLOGM-IACUBPJLSA-N 304.346 1.448 30 50 DDEA CN1CC[C@@H](C/N=C(/O)Nc2ccnn2C)[C@@H]1c1cccnc1 328633921 SWCHTQRZAZFJEY-ZFWWWQNUSA-N 314.393 1.834 30 50 DDEA CN[C@H](C)c1cn([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 603233492 APABCTCYOVLBLD-MLGOLLRUSA-N 324.388 1.798 30 50 DDEA Cc1nsc(N2CCN(c3ccc(N)nc3)CC2)c1C#N 288239531 WWBVLOXOYJWVBK-UHFFFAOYSA-N 300.391 1.627 30 50 DDEA C#CCOc1cc(C(=O)NCC[C@@H]2CCOC2)ccc1OC 534649224 ZNGNMTGZQNMDJE-CYBMUJFWSA-N 303.358 1.864 30 50 DDEA CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 276610869 JGUZWIOCQBTTFH-XHDPSFHLSA-N 313.361 1.610 30 50 DDEA COC(=O)CN1CCN(C(=O)Nc2cc(C#N)ccc2C)CC1 170611955 JTKNZVDCHKAFHI-UHFFFAOYSA-N 316.361 1.189 30 50 DDEA NS(=O)(=O)c1ccc(N/C=C\C(=O)c2ccncc2)cc1 18325128 KDKLSPOKZBAWBV-YFHOEESVSA-N 303.343 1.538 30 50 DDEA Cc1ccn(CC(=O)NCC2(c3ccccc3)CC2)c(=O)c1C#N 163796007 XRBRFXFHYBVDLS-UHFFFAOYSA-N 321.380 1.876 30 50 DDEA Cc1nn(C)c(C)c1CN1CCN(c2ccc(C#N)nc2)CC1 267395875 OGTVVNCPTPEFNT-UHFFFAOYSA-N 310.405 1.626 30 50 DDEA N#C[C@H]1CNC[C@@H]1NC(=O)c1c(C(F)F)nc2ccccn12 876802606 RCAPPCJVRMPKDH-IUCAKERBSA-N 305.288 1.113 30 50 DDEA N#Cc1ccccc1S(=O)(=O)NCCOc1ccccc1 4828214 WIIFZZNSUWLVHZ-UHFFFAOYSA-N 302.355 1.916 30 50 DDEA CC(=O)OCC/N=C(/O)c1cn(Cc2cccc(F)c2)nn1 328591183 ZHEVBLCFZRJGDA-UHFFFAOYSA-N 306.297 1.333 30 50 DDEA N#Cc1ccc(N2CCC[C@@H](NC(=O)C3(O)CCC3)C2)c(F)c1 363705755 YOGUFTXEMDXQTR-CYBMUJFWSA-N 317.364 1.697 30 50 DDEA N#Cc1ccc(CN2CCC[C@](O)(Cn3ccnn3)C2)cc1F 331746800 YZVSKODDOSNTPA-MRXNPFEDSA-N 315.352 1.316 30 50 DDEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)c2ccn(CC)c(=O)c2)C1 91665374 VTXJJYBOXIWUMW-QGZVFWFLSA-N 318.373 1.751 30 50 DDEA CCON=C[C@H]1C(=O)CC(C)(C)[C@](Cl)(C(=O)OC)C1=O 954193951 SIWQFKOPRRMTNM-ISVAXAHUSA-N 303.742 1.344 30 50 DDEA COCc1nnc2n1CCN(c1nc(C)c(C#N)cc1Cl)C2 1472825120 VOEQKKMLUDANQB-UHFFFAOYSA-N 318.768 1.673 30 50 DDEA Cc1ncc(NC(=O)Nc2cn([C@@H]3CCOC3)nn2)cc1C#N 1875405327 CVRZRHUDNHYAEK-GFCCVEGCSA-N 313.321 1.459 30 50 DDEA C=CCc1cc(CN2C[C@H](N)C[C@H]2C(=O)NC)ccc1OC 67964746 ZWJBTHWBWRGLKE-CABCVRRESA-N 303.406 1.071 30 50 DDEA CCOC(=O)[C@](C#N)(Cc1c[nH]c2cc(C)ccc12)NC(C)=O 71769613 SDGKEJGTEIUCQN-QGZVFWFLSA-N 313.357 1.980 30 50 DDEA COCC[C@@]1(CO)CCCN(C(=O)c2cccc(C#N)c2)C1 92046957 HIFBBQWDNFIPOV-KRWDZBQOSA-N 302.374 1.809 30 50 DDEA C=CCOCC(=O)N(Cc1nccs1)[C@H]1CC12CCNCC2 435556419 CRZVKZRFTIOCEE-ZDUSSCGKSA-N 321.446 1.816 30 50 DDEA CCCN(CC#Cc1ccccc1)C(=O)[C@@H](N)CCCCN 55099910 FNSZDEMFKHMGON-KRWDZBQOSA-N 301.434 1.733 30 50 DDEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)CNC(C)=O 55118874 JNYWLEAFIOEKQI-UHFFFAOYSA-N 314.345 1.387 30 50 DDEA CCOC(=O)[C@H](F)N1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O 253425889 KAYAPVVNJIGAQI-IAQYHMDHSA-N 319.292 1.184 30 50 DDEA Cc1nc(CN(C)[C@H]2CCN(Cc3cc(C#N)n(C)c3)C2)no1 368972154 DBAWITHEGORVHE-AWEZNQCLSA-N 314.393 1.295 30 50 DDEA N#Cc1cncc(S(=O)(=O)N(CCC(=O)O)C2CCCC2)c1 290721906 VDEGAOFPPGETJI-UHFFFAOYSA-N 323.374 1.361 30 50 DDEA Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)Nc1cc(C#N)ccn1 598833353 IUDXBRXFAHGEQO-TZMCWYRMSA-N 311.345 1.793 30 50 DDEA CC#CCNC(=O)C[C@@]1(O)CCCN(Cc2ccccc2)C1 585088696 RWDBRRSLBOIBAB-SFHVURJKSA-N 300.402 1.543 30 50 DDEA C#Cc1ccc(C(=O)N[C@@H]2CCc3c(nc(C)n3CCO)C2)cc1 585122241 SGFLZGPNRWISEM-MRXNPFEDSA-N 323.396 1.452 30 50 DDEA Cc1nnc(NC[C@@H]2CCO[C@H]2c2nccn2C)c(C#N)c1C 596503814 JYAKTPSBJZVGTQ-GXTWGEPZSA-N 312.377 1.888 30 50 DDEA C=CCN1C(=O)C[C@H](Nc2ccc(N3CCOCC3)cc2)C1=O 5016089 OUMKZPVULGNOCQ-HNNXBMFYSA-N 315.373 1.249 30 50 DDEA CCn1cc([C@H]2OCC[C@@H]2N/C(O)=N/Cc2cscn2)cn1 328617184 CKGSULIWOQCGCG-QWHCGFSZSA-N 321.406 1.893 30 50 DDEA C[C@H]1Cc2cc(S(=O)(=O)Nc3nn(C)cc3C#N)ccc2O1 123379485 IZZBLDZPQXTARW-VIFPVBQESA-N 318.358 1.416 30 50 DDEA CCC[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)O 262676647 RFWFMCDSWPKOAS-NSHDSACASA-N 316.766 1.743 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H]2CCO[C@H]2c2nccn2C)N=N1 952876280 KDKCEULBLKNQBP-TZMCWYRMSA-N 315.377 1.722 30 50 DDEA C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C 2053420 DSDFVPGHYVJRIG-UHFFFAOYSA-N 308.407 1.748 30 50 DDEA C=CCN1C(=S)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 4140705 MRYKSDXQGJVVEE-QWHCGFSZSA-N 308.428 1.445 30 50 DDEA N#Cc1cncc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)c1 319407815 CIBBURADBZPVHQ-UHFFFAOYSA-N 321.289 1.591 30 50 DDEA Cc1nc2n(n1)CCN(C(O)=Nc1cnn([C@H](C)C3CC3)c1)C2 330261913 UOJVANPMUDNPIM-SNVBAGLBSA-N 315.381 1.815 30 50 DDEA Cc1[nH]nc(NC(=O)[C@H]2CCN(c3ccccc3F)C2)c1C#N 365694227 ABQHKLDJEGQHFM-NSHDSACASA-N 313.336 2.194 30 50 DDEA Cc1cccc(S(=O)(=O)N(C)[C@H](CO)C(C)(C)C)c1C#N 128403778 AXUSSIJSOQYDQP-CQSZACIVSA-N 310.419 1.894 30 50 DDEA N#C[C@H]1N(Cc2ncnn2CCF)CCC[C@@]12CCCCO2 240333215 FCIQDYRSNRIQDJ-HIFRSBDPSA-N 307.373 1.675 30 50 DDEA N#C[C@@H]1CCCN(C(=O)NCc2nc(-c3ccccc3)n[nH]2)C1 426489690 SESSAQUSKTVKFQ-LBPRGKRZSA-N 310.361 1.917 30 50 DDEA CN1CC[C@@H](n2ccnc2-c2ccc(C#CCCO)cc2)C1=O 1857676342 RBYQVBBPRZOOOJ-MRXNPFEDSA-N 309.369 1.687 30 50 DDEA N#Cc1ccc(OCCNC2CCN([C@H]3CCOC3)CC2)cc1 594497460 BQCWLUMNDWLSQZ-KRWDZBQOSA-N 315.417 1.780 30 50 DDEA Cc1c(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc(C#N)n1C 1704306932 XZTJSUYDFBVADJ-QZTJIDSGSA-N 316.449 1.484 30 50 DDEA C[C@H]1CN(C(=O)NOCCC(F)(F)F)C[C@@H](C)N1CC#N 864095522 PIEZFIXRBXUQGW-AOOOYVTPSA-N 308.304 1.498 30 50 DDEA COc1ccc(C(=O)/C=C/C(=O)NC2CCOCC2)cc1OC 1875335337 CUFXSYFZCGUUQR-GQCTYLIASA-N 319.357 1.738 30 50 DDEA C#CCCC1(CCC(=O)N2CCC(Cc3nn[nH]n3)CC2)N=N1 2325886306 HVMDYZSSMDLNFI-UHFFFAOYSA-N 315.381 1.337 30 50 DDEA C=CCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl 2984865 JMOUPOXTDOCDKB-UHFFFAOYSA-N 322.773 1.819 30 50 DDEA CC(C)(C)OC(=O)Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1 170028935 UZSRXQQCEWMKJL-UHFFFAOYSA-N 308.187 1.524 30 50 DDEA CC[C@H]1COCCN1C(O)=Nc1cn(Cc2ccccc2)nn1 330016246 PGMAUDTVIKLIFS-AWEZNQCLSA-N 315.377 1.983 30 50 DDEA Cc1nc2cccc(B3OC(C)(C)C(C)(C)O3)c2n(C)c1=O 170005259 AOLGWFLIKFYFID-UHFFFAOYSA-N 300.167 1.541 30 50 DDEA C[C@H](C1CCN(Cc2cc(C#N)ccn2)CC1)N1CCOCC1 299771429 WVOOHOGPHYREGG-OAHLLOKOSA-N 314.433 1.886 30 50 DDEA CC(C)c1nc(C(=O)N2CCn3nc(C#N)cc3C2)cs1 584884536 PFKXOLXYQWRTEH-UHFFFAOYSA-N 301.375 1.991 30 50 DDEA CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)c1ccc(C#N)cn1 275515839 CUMBMHAUVZOEHM-KBPBESRZSA-N 312.352 1.796 30 50 DDEA CNC(=O)[C@@H](CO)Nc1cc(C#N)c2cc(Cl)ccc2n1 170595675 YBCWNDZWSPZRGJ-GFCCVEGCSA-N 304.737 1.279 30 50 DDEA CN(Cc1cccnc1)C[C@@H]1CCN(c2nccnc2C#N)C1 190450092 FHJWXRSSYRKMMI-HNNXBMFYSA-N 308.389 1.702 30 50 DDEA Cn1cc(CN[C@@H]2CCCN(c3cccnc3)C2=O)cc1C#N 191587497 WGJZPIBQGFMIRY-MRXNPFEDSA-N 309.373 1.577 30 50 DDEA COc1ccc(/N=C2\C=C(O)NC2)cc1N1CCCS1(=O)=O 1848443903 DBOQLGFGBRZJJH-LFIBNONCSA-N 323.374 1.310 30 50 DDEA CCN(CCC#N)C(=O)CN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 337246360 COZGAOZXCZTRNF-XHSDSOJGSA-N 307.438 1.764 30 50 DDEA C=CCN1CCN(S(=O)(=O)c2cccc3cnccc23)CC1 1259155055 ZNYFNNCXLPMYCD-UHFFFAOYSA-N 317.414 1.727 30 50 DDEA C=C[C@H](O)C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 1148674928 ORHCDXZZPZVXRO-QWRGUYRKSA-N 300.236 1.813 30 50 DDEA C#C[C@@](C)(CC)OC[C@@H](O)CN1CCN(c2ccccc2)CC1 12421422 CLJJTCLXWKTXFW-OALUTQOASA-N 316.445 1.988 30 50 DDEA N#Cc1c(NC(=O)Cn2ccc([N+](=O)[O-])n2)sc2c1CCC2 4717993 YZXZVPMDDRBBOQ-UHFFFAOYSA-N 317.330 1.852 30 50 DDEA COc1ccc(C#N)cc1CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O 253395680 FRFVFVAGCFHWBG-ZACQAIPSSA-N 316.401 1.929 30 50 DDEA C#Cc1ccc(CN2CC[C@@H](CNC(=O)C3CC3)[C@H](O)C2)cc1 72425275 ZQBFSKDOZBKQHT-ZWKOTPCHSA-N 312.413 1.377 30 50 DDEA Cc1cc(N2CCC[C@H](NC(=O)c3cc(C#N)ccn3)C2)n(C)n1 288606062 ZBESOPWFKAAVIG-AWEZNQCLSA-N 324.388 1.394 30 50 DDEA CO[C@H]1C[C@@H](CN2CCCC2)N(c2nc(C)cc(C#N)n2)C1 585814911 QQGJVPYQRPZNAS-GJZGRUSLSA-N 301.394 1.346 30 50 DDEA C[C@H]1CN(Cc2ccc(C#N)cc2)CCN1C(=O)CN(C)C 253425433 BDUZRALCVLZNSS-AWEZNQCLSA-N 300.406 1.153 30 50 DDEA N#CC1(CC(=O)N2CCC(C[C@H]3OCC[C@H]3C(N)=O)CC2)CC1 952885795 APYJQMJBLMPYNO-ZIAGYGMSSA-N 319.405 1.199 30 50 DDEA N#C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H](Cn2cc(C3CC3)nn2)C1 1875323465 JLDUPNKKZLOZAG-VHDGCEQUSA-N 313.405 1.944 30 50 DDEA CC(=O)C(=NNc1ccc(C(=O)O)cc1)C(=O)OCC(C)C 1857800637 MTUUDJJBXWCBTH-UHFFFAOYSA-N 306.318 1.941 30 50 DDEA C#CCCC1(CCC(=O)NCCn2cnc(C(=O)O)c2)N=N1 2325900563 AELATNNZPKSTMI-UHFFFAOYSA-N 303.322 1.053 30 50 DDEA COCCOc1ccc(C(=O)/C=C/c2cnn(C)n2)cc1OC 585136000 LQWWPSORCYDQKN-AATRIKPKSA-N 317.345 1.745 30 50 DDEA CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](C#N)CO)cc1 408523706 UWVYGCAOKWZGCS-GFCCVEGCSA-N 305.334 1.648 30 50 DDEA C#CCCC1(CCC(=O)N[C@H]2C[C@H]3CCCCN3C2=O)N=N1 952882160 RXEMRYPGAVLSBQ-OLZOCXBDSA-N 302.378 1.612 30 50 DDEA N#CC1(CC(=O)N2C[C@@H]3COCC[C@]3(C(N)=O)C2)CCCCC1 952850859 RDDJUFJWBGKGIL-DYVFJYSZSA-N 319.405 1.201 30 50 DDEA COC(=O)[C@H]1C(=O)[C@H](C(=O)/C=C/c2ccco2)C(=O)CC1(C)C 100150827 OZNNWTQYFYFKJQ-JLVOYYQZSA-N 318.325 1.835 30 50 DDEA biogenic COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2[nH]cnc2c1 170008407 KBXKRDZRKBMZQW-UHFFFAOYSA-N 302.139 1.649 30 50 DDEA CCN1CCN(C(=O)c2cccc(C#N)c2)C[C@@H]1c1nccn1C 328626120 LJPSIMMMCKOVQO-MRXNPFEDSA-N 323.400 1.811 30 50 DDEA N#Cc1ccc(NCC(=O)NCc2cn(C3CCC3)nn2)cc1 585127383 YZBVBVAYGKPVMO-UHFFFAOYSA-N 310.361 1.603 30 50 DDEA CN1CCc2ccc(N=C(O)[C@@H]3CCC(=O)N3C)cc2C1=O 329556800 QJPLPPJFLSCQPK-ZDUSSCGKSA-N 301.346 1.524 30 50 DDEA CC(=O)N[C@]1(c2nc(C)no2)CCN(c2ccc(C#N)cc2)C1 591609447 QIKRQVVJQBWWHB-MRXNPFEDSA-N 311.345 1.491 30 50 DDEA C=C(C)COc1ccccc1C(=O)NC[C@H](O)c1nccn1C 55413151 RZZKIIUILFTYCS-AWEZNQCLSA-N 315.373 1.838 30 50 DDEA CCOC(=O)[C@]1(CC#N)CCN(Cc2ccccc2)CC1=O 216642989 GMMTUQKAOHKYSJ-QGZVFWFLSA-N 300.358 1.925 30 50 DDEA N#C[C@@H]1CCCN(C(=O)c2cccc(-c3cnc(N)nc3)c2)C1 426477520 GHFNAIVZOAJGHE-LBPRGKRZSA-N 307.357 2.102 30 50 DDEA CCC[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1NC(=O)CCO 91411543 ZVZVBENXPLPHAO-KBPBESRZSA-N 302.378 1.057 30 50 DDEA C=C(C)COc1ccccc1CN1CCN2CCNC(=O)[C@H]2C1 240128274 IPFOICJMRJCOGS-MRXNPFEDSA-N 315.417 1.258 30 50 DDEA CC(=O)N1CCO[C@@H]2CCN(Cc3cc(F)ccc3C#N)C[C@H]21 886055045 JYORYUSOIPDNAT-IAGOWNOFSA-N 317.364 1.519 30 50 DDEA CCCN1CCC[C@]2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1=O 2356148576 GTYDAFATYUYSNH-KRWDZBQOSA-N 314.389 1.894 30 50 DDEA N#C[C@@H]1COCCN1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 248716634 FDBFUWGEARMUGH-BXUZGUMPSA-N 323.755 1.809 30 50 DDEA Cc1cc(N2CCNCC2)ncc1B1OC(C)(C)C(C)(C)O1 170006600 BSBWFOSHUSBFLM-UHFFFAOYSA-N 303.215 1.099 30 50 DDEA N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCC[C@H]1CN 124480264 VJMSYDHGLJCBBB-JOYOIKCWSA-N 313.810 1.617 30 50 DDEA C[C@H](CO)C1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 585090599 VSVKNKBCFXERAH-CYBMUJFWSA-N 301.390 1.837 30 50 DDEA Cn1c(=N/N=C2\C=CC(=O)c3ncccc32)n(C)c2ccccc21 3091406 GHXRDLXPLOPOFZ-DEDYPNTBSA-N 317.352 1.969 30 50 DDEA C#CCCC1(CCC(=O)N2CC3(CCOCC3)[C@H]2C(=O)O)N=N1 952881462 OJKARXVCLGQMNN-CYBMUJFWSA-N 319.361 1.434 30 50 DDEA CN1C(=O)C[C@@H](CNc2ccc(C#N)nc2)[C@@H]1c1cccnc1 886027823 ZNDZOXXGIFDQMX-GUYCJALGSA-N 307.357 1.980 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H]2CCCN(CC(=O)O)C2)N=N1 2325900741 HZLNWSUKVARIEQ-GFCCVEGCSA-N 306.366 1.007 30 50 DDEA O=C1C(SCCO)=C(SCCO)C(=O)c2ccccc21 1615742 MAASHDQFQDDECQ-UHFFFAOYSA-N 310.396 1.728 30 50 DDEA in-vivo Cc1ccc(N2CCC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)nn1 367762098 AKDPILIVXMYEFC-HNNXBMFYSA-N 324.388 1.726 30 50 DDEA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2cc(C#N)ccn2)C1 284525606 MAQQIFGOQRBOCI-KBPBESRZSA-N 300.362 1.169 30 50 DDEA COc1cc(C(=O)N2CCC[C@@](C)(C#N)C2)ccc1OCCN 426369396 TXOZWAWLFSNGTQ-KRWDZBQOSA-N 317.389 1.799 30 50 DDEA N#Cc1ncccc1-c1cccc(C(=O)NC[C@@H]2COCCO2)c1 299769987 PVRRMLBKSSNTDA-OAHLLOKOSA-N 323.352 1.765 30 50 DDEA N#Cc1c[nH]c(C(=O)N2CCC[C@H](CN3CCCC3=O)C2)c1 584900663 NQWIVKPAPHSTEA-GFCCVEGCSA-N 300.362 1.361 30 50 DDEA Cc1c(C(=O)N[C@H](C#N)C2CC2)nnn1Cc1ccc(F)cc1 194806605 VIFXJCAFIILWDO-CQSZACIVSA-N 313.336 1.806 30 50 DDEA CNC(=O)C[C@@H]1CN(Cc2ccc(C#N)c3ccccc23)C[C@H]1O 1875399268 UNORIZCSZHARRT-CRAIPNDOSA-N 323.396 1.640 30 50 DDEA N#Cc1cc(C(=O)NC[C@H]2CCO[C@@H]2c2cn[nH]c2)ccc1F 886071819 MRFKSWPWGGJSGV-ABAIWWIYSA-N 314.320 1.928 30 50 DDEA C=CCN(Cc1ccc(SC)cc1)C(=O)[C@@H]1C[C@@H](O)CN1 55392955 OHCRYQQTCAPEJH-HIFRSBDPSA-N 306.431 1.646 30 50 DDEA C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1[C@H]1CCCN1C(C)=O 248258911 PRIFQNVNHBYBSV-IAGOWNOFSA-N 321.465 1.886 30 50 DDEA CC1(C)CN(/C(O)=N/[C@@H]2CC[S@@](=O)C2)CC2(CCCC2)O1 328596809 AEZSBUATGOWEDJ-XUSGNXJCSA-N 314.451 1.845 30 50 DDEA COc1nccc(N[C@@H](c2cnn(C)c2)[C@H]2C[C@H](O)C2)c1C#N 222672606 MVICQYYNVVMOLQ-IFUGULHKSA-N 313.361 1.619 30 50 DDEA C=CC[C@@]1(CO)CCCN(C(=O)CCC2=NNC(=O)CC2)C1 91663096 JRGZMOVQLLEOGW-MRXNPFEDSA-N 307.394 1.210 30 50 DDEA C=CC[C@@]1(CO)CCCN(S(=O)(=O)c2ccccc2C#N)C1 91548738 UCWNXDAKAWSPEQ-MRXNPFEDSA-N 320.414 1.898 30 50 DDEA Cc1nc(N2CCC([C@@H](F)C(N)=O)CC2)c(Cl)cc1C#N 585132655 JMBNIJNGXKBKTQ-GFCCVEGCSA-N 310.760 1.955 30 50 DDEA COc1cc(/C(O)=N/[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)on1 328612010 NIUOGDWQCOFIJX-HZMBPMFUSA-N 320.349 1.868 30 50 DDEA C#CCCC1(CCC(=O)NCCCN2CCCN(C)CC2)N=N1 952882324 PJUZQWXILOZXHU-UHFFFAOYSA-N 319.453 1.486 30 50 DDEA N#CC1(c2cccc(C(=O)N3CCc4c[nH]c(=N)nc4C3)c2)CC1 1875322254 NHBUCBQNSFLVQD-UHFFFAOYSA-N 319.368 1.643 30 50 DDEA CN1C(=O)CC[C@H](CNc2ncccc2C#N)[C@H]1c1cnn(C)c1 888102771 LMGCJOODAOAHRK-CJNGLKHVSA-N 324.388 1.708 30 50 DDEA Cc1cccc(CN(CCC(=O)O)C(=O)N2CC(C#N)C2)c1 2325788861 MXLFAQSMZBSURL-UHFFFAOYSA-N 301.346 1.847 30 50 DDEA C#CCCC1(CCC(=O)N[C@@]2(C(=O)O)C[C@H](O)C23CCC3)N=N1 2325900879 MOJFDSUXVTZXRT-MEDUHNTESA-N 319.361 1.217 30 50 DDEA Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)c2cnc(C#N)cn2)o1 345919324 UGGGYCIZKZLKNI-JQWIXIFHSA-N 317.328 1.093 30 50 DDEA N#Cc1ccsc1N1CC[C@H](N[C@H]2CCO[C@H]2C2CC2)C1=O 333686387 AKZMJQRQPWHLSZ-IHRRRGAJSA-N 317.414 1.882 30 50 DDEA N#Cc1ccc(OCC(=O)N2CCOC[C@H]2C2CC2)c(F)c1 371369494 OURNMAZLTHVABA-AWEZNQCLSA-N 304.321 1.714 30 50 DDEA C[C@H](Oc1ccccc1C#N)C(=O)N[C@]1(C(=O)O)CCSC1 299743482 NSEIYRSFDCBYQD-ZUZCIYMTSA-N 320.370 1.402 30 50 DDEA C=CCCC(=O)[C@@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 818027362 MZQRDVKFDWZWEH-LBPRGKRZSA-N 306.322 1.318 30 50 DDEA C#CCCC1(CCNC(=O)c2n[nH]c3c2CN(C)CC3)N=N1 2325893567 FMPXTMLFFHCBDR-UHFFFAOYSA-N 300.366 1.093 30 50 DDEA C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cccs2)C1=O 281561989 OXHSBQJOZYOVRT-SNVBAGLBSA-N 300.405 1.156 30 50 DDEA O=S1(=O)CCC[C@@H](/N=C(/O)Cn2cc3ccccc3n2)C1 330064761 CORMMJWASFBEAI-GFCCVEGCSA-N 307.375 1.570 30 50 DDEA OC[C@]1(F)CCN(/C(O)=N/[C@H]2CCOC3(CCCC3)C2)C1 328678910 BKJBFWLAPVLAEB-JSGCOSHPSA-N 300.374 1.799 30 50 DDEA N#Cc1cccnc1N1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 328639712 XAAYIYBMLOYUHA-LBPRGKRZSA-N 324.344 1.570 30 50 DDEA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(c2ccc(C#N)cn2)C1 284567289 NXKDPADAIRNQFP-OLZOCXBDSA-N 310.361 1.915 30 50 DDEA C=CCN1C[C@H](C(=O)NCC2(N(C)C)CCCCC2)CC1=O 584884492 XRENOUJQLGJLNY-CQSZACIVSA-N 307.438 1.402 30 50 DDEA C=CCCS(=O)(=O)N1CC[S@](=N)(=O)c2ccccc21 1616033007 XZERKPHFYPSYPM-SFHVURJKSA-N 300.405 1.818 30 50 DDEA C=CC[C@H](CC)/N=C(/O)Nc1ccn(CCS(C)(=O)=O)n1 328598731 ODSURDXYEQVWHK-NSHDSACASA-N 314.411 1.608 30 50 DDEA C=CCCC(=O)[C@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 818027360 MZQRDVKFDWZWEH-GFCCVEGCSA-N 306.322 1.318 30 50 DDEA N#CC1CN(C(=O)NC[C@H](Cc2ccc(F)cc2)C(=O)O)C1 2325790427 KPIIVZBLFUXAGN-LBPRGKRZSA-N 305.309 1.234 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H]2CCCn3c(CC)nnc32)N=N1 2325893631 LEWJABYLMUXIGN-GFCCVEGCSA-N 314.393 1.800 30 50 DDEA N#Cc1ccc([C@@H](O)CN2CC=C(C3=NNC(=O)CC3)CC2)cc1 67914783 BPEKLIDKLJZYOX-KRWDZBQOSA-N 324.384 1.490 30 50 DDEA C=CCN(C(=O)C(=O)c1ccco1)[C@@]1(C)CCS(=O)(=O)C1 67588851 FIRVDTUYUWMJGL-AWEZNQCLSA-N 311.359 1.054 30 50 DDEA C=CCN(CC=C)C(=O)CN1CC[C@H](n2nc(C)cc2C)C1 65491473 NLFIUVRFHWHWBP-INIZCTEOSA-N 302.422 1.947 30 50 DDEA CN1CCC[C@@H](CNc2nccnc2C#N)[C@@H]1c1ccnn1C 284905958 OTXRPPJNLXLVCM-SWLSCSKDSA-N 311.393 1.577 30 50 DDEA CCC[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@H]1C(=O)O 91548369 ODJBUYJPCKPBHZ-CHWSQXEVSA-N 322.386 1.680 30 50 DDEA C=C1CCN(c2cccc(S(=O)(=O)N[C@H](C)CC#N)n2)CC1 1615044657 GQGVYQNKCAVPQK-CYBMUJFWSA-N 320.418 1.818 30 50 DDEA C#CCCC1(CCC(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)N=N1 952881189 LKTXQGASPRDCPY-ZIAGYGMSSA-N 304.394 1.274 30 50 DDEA C#CCOc1ncccc1C(=O)Nc1ccc2c(c1)CC(=O)N2 1875258375 AJAZUOXXYJNKPE-UHFFFAOYSA-N 307.309 1.841 30 50 DDEA Cc1cnn([C@@H]2[C@@H](Nc3ncc(C#N)cc3Cl)C[C@H]2O)c1 886079121 LRUWVTZYLDXPGD-YNEHKIRRSA-N 303.753 1.898 30 50 DDEA C[C@H]1C[C@@H](N2CCOCC2)CN1c1cc(C#N)cc(Cl)n1 888096089 SICVYOYKOCNPEZ-WCQYABFASA-N 306.797 1.906 30 50 DDEA CC(=O)C1=C(O)C(=O)N(CCC(=O)O)[C@H]1c1ccc(F)cc1 210178 YGZFRFFCIKGRID-ZDUSSCGKSA-N 307.277 1.585 30 50 DDEA C=CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 7949483 PHFIACPDRNGVRM-NSHDSACASA-N 314.432 1.451 30 50 DDEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2ncc(Cl)cn2)C1 328613711 TWVRWBHDANPDPS-ZDUSSCGKSA-N 322.756 1.903 30 50 DDEA N#C[C@H]1COCCN1C(=O)C1CC(OCc2ccccc2)C1 364354957 BRUYSQFWIAKZKC-PCKAHOCUSA-N 300.358 1.733 30 50 DDEA C=CCn1c(SCc2nncn2C)nnc1C1CCNCC1 426522851 HXTOITIBPXXSSI-UHFFFAOYSA-N 319.438 1.352 30 50 DDEA N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(Cc3cccnc3)C2)c1 534660519 DYCFJKHRQCRSMR-HNNXBMFYSA-N 309.373 1.676 30 50 DDEA Cc1noc([C@@H]2CN(c3c(C#N)cccc3C#N)CCN2C)n1 583616802 HBPQYEHFBGUKHE-AWEZNQCLSA-N 308.345 1.614 30 50 DDEA C#CCN1CCC(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 195564346 KDXTXJYUVDCHMW-UHFFFAOYSA-N 323.396 1.493 30 50 DDEA Cc1nc(N2CCN(C[C@@H](O)C3CC3)CC2)c(Cl)cc1C#N 1615001836 XYKXUDBGWLVZSD-OAHLLOKOSA-N 320.824 1.808 30 50 DDEA Cc1cc(C#N)cnc1Sc1nnnn1C[C@@H]1CCCO1 2325780583 WWPDCRKDHQPQES-NSHDSACASA-N 302.363 1.578 30 50 DDEA C[C@H](C/N=C(/O)c1c[nH]nc1[C@@H]1CCOC1)Cn1cccn1 328624454 JXKMSSDEHWAHJK-VXGBXAGGSA-N 303.366 1.751 30 50 DDEA N#Cc1ncccc1NC[C@@]1(N2CCOCC2)CCCOC1 377414247 UKWTYIMRGAPZMS-INIZCTEOSA-N 302.378 1.247 30 50 DDEA C[C@H]1CN(C(=O)CNc2ccc(C#N)cc2)C[C@H](C)N1CC#N 585126922 LGRFDKBLTUGOSR-KBPBESRZSA-N 311.389 1.415 30 50 DDEA CCOc1ccc(N/C(N)=N\c2nc(COC)cc(=O)[nH]2)cc1 17162197 ZJWOFJRXCDVIGH-UHFFFAOYSA-N 317.349 1.373 30 50 DDEA N#CCC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1F)C2 1875341059 DSRATIUKCZUTIB-GLQYFDAESA-N 315.348 1.849 30 50 DDEA C#CCN1CCC[C@H]1COC(=O)CSC[C@H]1CCCCO1 230074398 ZCOAHZNEZPALRC-LSDHHAIUSA-N 311.447 1.930 30 50 DDEA CC(=O)N(C)C1CCN(/C(O)=N/CCc2cccnc2)CC1 330434774 LOSSXXJSVGKGBT-UHFFFAOYSA-N 304.394 1.481 30 50 DDEA C[C@]1(NCC(=O)O)CCN(C/C(O)=N/Cc2ccccc2F)C1 328603618 GTFWNACZWBLXQP-INIZCTEOSA-N 323.368 1.421 30 50 DDEA CC(=O)NC1CCC(NC(=O)CNc2ccc(C#N)cc2)CC1 338430680 MCPJGMDZQFVGCA-UHFFFAOYSA-N 314.389 1.534 30 50 DDEA CC(C)OCCS(=O)(=O)Nc1nn(C(C)C)cc1C#N 160660444 ZNYFKWGUWPDXGU-UHFFFAOYSA-N 300.384 1.502 30 50 DDEA CN(C)[C@@H]1CCN(C(=O)c2cccc(C#CC(C)(C)O)c2)C1 952978570 YQSUAHJULRVOQK-MRXNPFEDSA-N 300.402 1.585 30 50 DDEA CC(C)N1CCCC[C@@H]1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 221786433 IQSHRGAKYYXLMN-JKSUJKDBSA-N 304.438 1.448 30 50 DDEA N#CC1(C(=O)NCc2nnc(S)n2C2CC2)CCCCC1 170623298 VWVSVEWHVFXTLG-UHFFFAOYSA-N 305.407 1.992 30 50 DDEA COc1ccccc1[C@@H](C#N)NC(=O)c1cccc2nn[nH]c12 170603070 PZGVFXUVLADVAT-CYBMUJFWSA-N 307.313 1.961 30 50 DDEA C=CCN(C(=O)c1ccc2[nH]cnc2c1)[C@@H]1CCS(=O)(=O)C1 19227705 RGNVTMIWDJKBMB-GFCCVEGCSA-N 319.386 1.378 30 50 DDEA CN(C)[C@@H]1CN(c2nc3c(cc2C#N)CCC3)C[C@@H]1n1ccnn1 858757550 PKECMPLDQHPWDR-CVEARBPZSA-N 323.404 1.025 30 50 DDEA C[C@H](C#N)C(=O)N1CCC(c2nccc(N3CCCC3)n2)CC1 952894282 YQQPAIMGWOKKMN-CYBMUJFWSA-N 313.405 1.942 30 50 DDEA C=C[C@](C)(CCOC)C(=O)NCCc1nc(C(C)C)nn1C 952994481 PRMRDIBEDXSMTD-MRXNPFEDSA-N 308.426 1.826 30 50 DDEA C[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)Cc2cncnc21 1875279117 KEOWYUFQZGXMEH-LBPRGKRZSA-N 320.418 1.809 30 50 DDEA N#Cc1cc(=N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)[nH]c(C2CC2)n1 1875399086 OINRKCKDYZDHBJ-KCPJHIHWSA-N 324.388 1.096 30 50 DDEA C=CCC(O)(CC=C)[C@H](C)NC(=O)CSc1nc(CC)n[nH]1 55108315 MEODKMXFMBNTCQ-NSHDSACASA-N 324.450 1.847 30 50 DDEA C[C@H](C#N)CN(C)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 229318824 ZNSLTRBNRRBZKB-XUJVJEKNSA-N 312.435 1.803 30 50 DDEA N#Cc1ccc(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)[nH]1 154038238 DLQJPWHNOXTGFU-NSHDSACASA-N 322.324 1.344 30 50 DDEA C=C(C)CN(CC)C(=O)C(=O)Nc1ccc([S@](C)=O)cc1 154680941 MQRXASUALVLWCH-OAQYLSRUSA-N 308.403 1.787 30 50 DDEA Cc1[nH]nc(NC(=O)[C@@H]2COc3ccc(F)cc3C2)c1C#N 377197883 PIYXHFWLYFEQQT-JTQLQIEISA-N 300.293 1.919 30 50 DDEA C=CCCC(=O)N1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1 285603098 UTVBQBGESHRIBM-CYBMUJFWSA-N 312.410 1.063 30 50 DDEA CNC(=O)CCc1ccccc1NC(=O)c1cc(C#N)cn1C 952982673 ZWVFJLATHKPNER-UHFFFAOYSA-N 310.357 1.828 30 50 DDEA CC1(C)OB(c2ccnc(N3CCOCC3)c2F)OC1(C)C 169794642 PRTVABCMQIBLAP-UHFFFAOYSA-N 308.162 1.357 30 50 DDEA in-vitro Cn1cncc1CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 192242268 XUAMZAIWOZEBOA-MRXNPFEDSA-N 309.373 1.182 30 50 DDEA COc1cc(S(=O)(=O)N(CC#N)C2CCCC2)sn1 717788236 HXOMJYPVDFDQCS-UHFFFAOYSA-N 301.393 1.609 30 50 DDEA CCN1CCN(/C(O)=N/Cc2cscn2)C[C@@H]1c1ncc[nH]1 328644334 ZCUYVZMEWMZQTH-GFCCVEGCSA-N 320.422 1.659 30 50 DDEA COCC/N=C(/O)c1c[nH]nc1[C@H]1CCCN(CCOC)C1 328603707 GYENKODCLJAVKZ-LBPRGKRZSA-N 310.398 1.187 30 50 DDEA CCOc1ncccc1C(=O)Nc1nc2n(c1C#N)CCS2 109726042 PWUXVUAWMNIISE-UHFFFAOYSA-N 315.358 1.906 30 50 DDEA Cc1n[nH]c([C@H]2CN(C(=O)/C=C/c3ccccc3C#N)CCO2)n1 173516184 CSLMEOCXICJFDD-LQYUOIDQSA-N 323.356 1.598 30 50 DDEA CN1CCN(C(=O)c2ccc(C#N)cc2)C[C@H]1c1nccn1C 276856620 ZZUHFVJXUZYUIV-HNNXBMFYSA-N 309.373 1.421 30 50 DDEA O=[N+]([O-])c1cccc(/C=N/NS(=O)(=O)c2ccccc2)c1 565728 SKRKKLVWIJOXCD-GXDHUFHOSA-N 305.315 1.907 30 50 DDEA C/C(=N\NC(=N)S[C@H]1CC(=O)N(C)C1=O)c1cccs1 12343035 KLPVWYSLUQQULS-DUJAKZANSA-N 310.404 1.487 30 50 DDEA C[C@H]1[C@H]2C[C@@H]([C@@H](S(=O)(=O)N3CCOCC3)/C2=N/O)C1(C)C 169682483 JTMDMGQYQGJKGV-ITOJTPNKSA-N 316.423 1.159 30 50 DDEA CNC(=O)[C@]1(COC)CCCN1C(=O)c1cccc(CC#N)c1 591665639 PVPSTSBQPQPEDQ-QGZVFWFLSA-N 315.373 1.120 30 50 DDEA C#CCCC1(CCC(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)N=N1 952880002 IRVMKCYJSSKYEN-GJZGRUSLSA-N 318.421 1.664 30 50 DDEA COC[C@@](C)(C#N)NC(=O)[C@@H](C)Cn1ncc2ccccc21 252510534 ZNDASOXBHWBCJR-BLLLJJGKSA-N 300.362 1.717 30 50 DDEA CNc1cc(N2CCC[C@H]2CNc2ccc(C#N)nn2)ncn1 123634562 OZZUEYALLPOERJ-LBPRGKRZSA-N 310.365 1.261 30 50 DDEA N#Cc1ccc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)[nH]1 156736062 YYGYSBFQUCGYBV-UHFFFAOYSA-N 323.312 1.190 30 50 DDEA Cn1cc(C#N)cc1C(=O)Nc1ccc(CC(=O)NC2CC2)cc1 952990215 LRBHQMLRPKXMKI-UHFFFAOYSA-N 322.368 1.970 30 50 DDEA N#Cc1cc([N+](=O)[O-])ccc1N1CCC(c2nc(N)n[nH]2)CC1 585092861 QSENHYKDYRHSCO-UHFFFAOYSA-N 313.321 1.551 30 50 DDEA CCC#CCN1CCCN(C(=O)CN2CCCC[C@H]2C)CC1 1529174929 YMRXOHRIVWWQQJ-QGZVFWFLSA-N 305.466 1.809 30 50 DDEA CCn1cnnc1[C@H]1CN(C(O)=Nc2cccc(C)n2)CCO1 328620435 GZVOUURWZROBNE-GFCCVEGCSA-N 316.365 1.620 30 50 DDEA N#C[C@H]1CN(C(=O)CCOCc2ccccc2)CCN1C1CC1 363079712 GLLIRFHEQBESKV-KRWDZBQOSA-N 313.401 1.792 30 50 DDEA C#CCCC1(CCNC(=O)[C@]2(c3cnn(C)c3)CCCO2)N=N1 2325887529 ZZVINHFKFJMFCS-MRXNPFEDSA-N 315.377 1.508 30 50 DDEA C#CCCC1(CCC(=O)NCc2nc(-c3ccncc3)n[nH]2)N=N1 2325894660 GOKKADHNFGJPEI-UHFFFAOYSA-N 323.360 1.839 30 50 DDEA CCCN(CC#Cc1ccccc1)C(=O)CCNS(C)(=O)=O 55071281 DFPWOAHSZDAWLT-UHFFFAOYSA-N 322.430 1.216 30 50 DDEA Cn1nccc1CN1C[C@@H](F)C[C@H]1CNc1cnc(C#N)cn1 328638551 PDRQGSSIMKHGLX-FZMZJTMJSA-N 315.356 1.106 30 50 DDEA COC(=O)[C@@H]1CCn2c(COc3ccc(C#N)cc3)nnc2C1 601045614 YZRVDXHXYOGXNS-GFCCVEGCSA-N 312.329 1.464 30 50 DDEA CO[C@H]1CN(C(=O)NCCc2ccc(C#N)cc2)[C@@](C)(CO)C1 602337913 ZSKSJRYAGSNMTN-NVXWUHKLSA-N 317.389 1.282 30 50 DDEA Cn1ncc(C#N)c1NS(=O)(=O)c1cccc(Cl)c1F 156284113 HJHGRAIOHMGDBU-UHFFFAOYSA-N 314.729 1.885 30 50 DDEA C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCC1(CC#N)CC1 376409899 AUQFZAOGQOTIMM-ZIAGYGMSSA-N 306.410 1.185 30 50 DDEA CC(C)n1cc([C@@]2(O)CCCN(c3ccc(C#N)nc3)C2)nn1 284431640 DSNLFFYJOYBOKN-MRXNPFEDSA-N 312.377 1.614 30 50 DDEA CC(C)(O)C#Cc1ccc(-c2cn(CCn3ccnc3)nn2)cc1 91351117 CPYZBHJALCNZLU-UHFFFAOYSA-N 321.384 1.964 30 50 DDEA N#Cc1ccccc1S(=O)(=O)N1CCC[C@@]2(CCNC2)C1 67713458 KNRUCXVMTDLAHI-HNNXBMFYSA-N 305.403 1.322 30 50 DDEA C=CCN(C)C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 67895226 FODAJBUXZROETM-QGZVFWFLSA-N 324.371 1.936 30 50 DDEA C=CCC(C)(C)CN1C[C@@H]2CN(C(=O)C3CC3)C[C@]2(C(=O)O)C1 65374747 JWLSOQFLQAWXHS-RDTXWAMCSA-N 320.433 1.844 30 50 DDEA N#C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cnn(-c2ccccc2)c1 241588454 PDHYHHAPJVFKMF-HZSPNIEDSA-N 311.301 1.218 30 50 DDEA N#Cc1ccc(N2CCC[C@@](O)(Cn3ccnn3)C2)c(F)c1 284739403 MYOKQEVEDFYDNL-HNNXBMFYSA-N 301.325 1.320 30 50 DDEA O=[S@@+]1(O)C[C@@H]2[C@H](C1)NC(=S)N2Cc1ccc(Cl)cc1 334158084 NIIXZLNVWFPFEL-WDEREUQCSA-P 317.843 1.753 30 50 DDEA CS(=O)(=O)N1CCCC[C@H]1CCNc1cc(C#N)ccn1 826796093 HDSLKHVZAXMAHI-ZDUSSCGKSA-N 308.407 1.569 30 50 DDEA Cc1ccc(/C(O)=N/C2CCN([C@@H]3CCN(C)C3=O)CC2)cn1 329197230 VDLQRYUYUAPCNF-OAHLLOKOSA-N 316.405 1.390 30 50 DDEA N#Cc1ccc([C@H](O)CN2CCC(n3cnnc3O)CC2)cc1 846884267 YCKYFQBEPICAPR-OAHLLOKOSA-N 313.361 1.226 30 50 DDEA CO[C@@H]1CN(c2c(Cl)cccc2C#N)C[C@H]1c1cn(C)nn1 886079930 CONZUDYMVQOCJT-SMDDNHRTSA-N 317.780 1.959 30 50 DDEA C=CC[C@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)O 159605139 CUBDPEAPAKRCIR-JTQLQIEISA-N 319.766 1.656 30 50 DDEA CC1(C)OB(c2cccc(CN3CC[C@H](N)C3)c2)OC1(C)C 307231971 CBOUQJCUDBSRNE-HNNXBMFYSA-N 302.227 1.519 30 50 DDEA CN(CC1CC1)C[C@@H]1CN(/C(O)=N/C2CCOCC2)CCO1 328622317 BCQTUPOUYIODSO-OAHLLOKOSA-N 311.426 1.122 30 50 DDEA CC(O)=Nc1ccn([C@H]2CCN(CC(=O)N3CCCC3)C2)n1 328624770 KEWVSXZQQZKTDU-ZDUSSCGKSA-N 305.382 1.360 30 50 DDEA CC(C)/N=C(/O)c1cnn2c1C[C@@H](CNC(=O)C(C)C)CC2 330465230 WISUOEROHBIZCL-LBPRGKRZSA-N 306.410 1.931 30 50 DDEA C=CC[C@@]1(C(=O)O)CCCN(CCCS(=O)(=O)N(C)C)C1 91830272 CRSMXKXVJFRBOT-CQSZACIVSA-N 318.439 1.011 30 50 DDEA CN(C)[C@H]1CCN(C(=O)c2ccccc2C#N)C[C@H]1CCCO 91643775 SEQBNYYZNNVIJD-WBVHZDCISA-N 315.417 1.723 30 50 DDEA C[Si](C)(C)C#Cc1ccc(CNC(=O)C2(C(N)=O)CC2)cc1 1615605873 NXCBBXOKQIHKBK-UHFFFAOYSA-N 314.461 1.797 30 50 DDEA Cn1ncc2c1CCCN(C(=O)NCc1ccc(C#N)cc1)C2 334057448 WFZUMZMJMUPBOP-UHFFFAOYSA-N 309.373 1.950 30 50 DDEA CN(C[C@H]1CCCN1c1cccnn1)C(=O)c1cc(C#N)cn1C 372679708 DNWTXJIXOGQEPK-CQSZACIVSA-N 324.388 1.428 30 50 DDEA N#Cc1cc(Cl)ccc1CN1CC[C@@](O)(Cn2ccnn2)C1 585802570 BMUPSTYNUSMHDA-HNNXBMFYSA-N 317.780 1.440 30 50 DDEA CC(=O)N1CCO[C@H]2CCN(c3ccc(C#N)cc3F)C[C@H]21 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C=CCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 4783849 UHACMYJRUPZYRX-UHFFFAOYSA-N 308.403 1.695 30 50 DDEA Cc1cscc1C(=O)NS(=O)(=O)c1cccnc1C#N 225690091 OWSUQNDVLYSCFG-UHFFFAOYSA-N 307.356 1.442 30 50 DDEA O=C1CN(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(O)=N1 252679615 OZOMQRBLCMDCEG-UHFFFAOYSA-N 314.257 1.945 30 50 DDEA fda CC#CC[C@@H](CO)NC(=O)c1cc(C)n([C@H]2CCCOC2)c1C 627977431 PELQHNUSOYLICP-HOTGVXAUSA-N 318.417 1.961 30 50 DDEA N#Cc1c[nH]c(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N2CCCCC2)c1 1565530438 FKUZMKHTGNNKSX-UKMLZYKCSA-N 314.389 1.258 30 50 DDEA CN1C(=O)C[C@@H](NC(=O)c2cccc(C#N)c2)[C@@H]1c1cccnc1 583619594 ZXNAWASVEGUKAX-WBVHZDCISA-N 320.352 1.655 30 50 DDEA CCC#CCN1CCCN(C(=O)CCn2cc(C)cn2)CC1 1529099429 XGNVOQVFBZBPKU-UHFFFAOYSA-N 302.422 1.529 30 50 DDEA C#CCCC1(CCC(=O)N2CCCC[C@H]2Cc2nn[nH]n2)N=N1 2325886398 VQCNMIQOPPGUEE-LBPRGKRZSA-N 315.381 1.479 30 50 DDEA N#Cc1ccc(OCC(=O)N2CCOC[C@@H]2C2CC2)c(F)c1 371369495 OURNMAZLTHVABA-CQSZACIVSA-N 304.321 1.714 30 50 DDEA C=C[C@@H](C)[C@H](OCOC)[C@@H]1O[C@@H]1[C@H](O)CO[C@@H]1CCCCO1 71786706 AIXWGERXXFTMIX-FWXGHANASA-N 316.394 1.469 30 50 DDEA N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H](CC(N)=O)C1 161837595 NOXIFUSCDJMYJH-JTQLQIEISA-N 304.325 1.817 30 50 DDEA O=[S@+]1(O)C[C@H]2NC(=S)N(c3ccc(F)c(Cl)c3)[C@H]2C1 334158206 YBHZVLVARKWXHZ-ZJUUUORDSA-P 321.806 1.897 30 50 DDEA CCOC(=O)c1cnc(/C(C)=C/c2cc(C#N)n(C)c2)[nH]c1=O 193264243 NGSOTFXVUFBQEH-BJMVGYQFSA-N 312.329 1.717 30 50 DDEA COc1ccc(/C=N/Nc2nncn2N)cc1Br 4954394 XFCJTDIGVKDEHX-WLRTZDKTSA-N 311.143 1.209 30 50 DDEA CCCN(CC(=O)O)S(=O)(=O)c1ccc(Cl)cc1C#N 262491221 XMBLYMHNSAXLDP-UHFFFAOYSA-N 316.766 1.697 30 50 DDEA CN1CC[C@@H]2OCCN(C(=O)c3c(F)cc(C#N)cc3F)[C@H]2C1 285066620 CLFWFZFLJAIKNG-KBPBESRZSA-N 321.327 1.382 30 50 DDEA C=CCNC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 13712952 VSWPRBOLUUSKCU-CQSZACIVSA-N 310.419 1.842 30 50 DDEA CN1C[C@@H]2COC[C@H](C1)N(Cc1ccc(C#CCCO)cc1)C2 1875251102 MKBFZQQGLZZELC-OALUTQOASA-N 314.429 1.183 30 50 DDEA CN1NC(=O)C[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 2890034 MNPOJFWTSXDZOL-SNVBAGLBSA-N 304.375 1.172 30 50 DDEA C#CCCC1(CCC(=O)N2CCc3c(ncn(C)c3=O)C2)N=N1 952879281 CTMOGRJHVFAVEJ-UHFFFAOYSA-N 313.361 1.021 30 50 DDEA C=C[C@@H](O)C(=O)N1CC(C)(c2nnc(-c3ccccc3F)o2)C1 952892262 GCRBGSXKUCOXNM-GFCCVEGCSA-N 317.320 1.523 30 50 DDEA CC(C)(C#N)CS(=O)(=O)N1CCCN(c2ccccn2)CC1 1875262248 ILBDEJOGJSYVLC-UHFFFAOYSA-N 322.434 1.473 30 50 DDEA C=C1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)C1 1875274510 FKJZGSMFRZDMLA-ZDUSSCGKSA-N 309.410 1.326 30 50 DDEA CC(=O)C1=C(O)C(=O)N(CCCC(=O)O)[C@@H]1c1ccc(F)cc1 545765 WABCDVAXUALJQW-CQSZACIVSA-N 321.304 1.975 30 50 DDEA N#C[C@H]1C(=O)NC(=O)[C@H](C#N)C1(c1ccccc1)c1ccccc1 3132433 QULCWRSUJTZULH-HOTGVXAUSA-N 315.332 1.909 30 50 DDEA COc1nc2ccn(CCc3cnccn3)c(=O)c2cc1C#N 67690857 SQUYABNJBKNMTN-UHFFFAOYSA-N 307.313 1.309 30 50 DDEA Cc1nc(C)c([C@H](C)N(C)/C(O)=N/Cc2ncn(C)n2)s1 328987559 HIQPVXKUNBNYAU-VIFPVBQESA-N 308.411 1.995 30 50 DDEA Cc1c(/C(O)=N/C[C@H]2CCCCS2(=O)=O)nnn1C(C)C 329067101 WWDOFOCYZMGOOY-LLVKDONJSA-N 314.411 1.439 30 50 DDEA O/C(=N/[C@@H]1CCOC2(CCC2)C1)c1cn([C@H]2CCOC2)nn1 330076716 HBBWLEOCTFEECV-NEPJUHHUSA-N 306.366 1.646 30 50 DDEA N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CC[C@@H](O)C2)CC1 253421637 ZPXRADCTZGUEIE-GDBMZVCRSA-N 313.401 1.758 30 50 DDEA Cn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)c1cccc2c1OCO2 328633687 STTLNFYEMKUSQJ-FZMZJTMJSA-N 315.329 1.984 30 50 DDEA CN(C[C@@H]1C[C@H](F)CN1c1cccnn1)c1nccnc1C#N 328628088 GYWDPAVZRZLZDW-RYUDHWBXSA-N 313.340 1.191 30 50 DDEA CCN1C[C@H](C(=O)N[C@]2(C#N)CCc3ccccc3C2)CC1=O 183946829 MEEVJGPFXGPSCB-CRAIPNDOSA-N 311.385 1.422 30 50 DDEA C[C@@H](CC(=O)N1CC[C@](F)(C#N)C1)NC(=O)c1ccccc1 170604638 KLIPZMLADPOKQG-LRDDRELGSA-N 303.337 1.659 30 50 DDEA CC(C)(C)n1cnc(C(=O)Nc2ccc(F)c(C#N)c2N)n1 585128722 LSVRSCCMLTVCKY-UHFFFAOYSA-N 302.313 1.878 30 50 DDEA N#Cc1cc(F)c(C(=O)N2CCC[C@@H](CC(N)=O)CC2)c(F)c1 585802350 UTFIRUXGCQYEGT-SNVBAGLBSA-N 321.327 1.954 30 50 DDEA N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2CN)cc1Cl 168978243 QWYKRCBOLYRFSB-GWCFXTLKSA-N 313.810 1.617 30 50 DDEA CCn1ncc(Cn2ccc3nc(O)c(C#N)cc3c2=O)c1C 67786067 JMSWDEDNOPWMDQ-UHFFFAOYSA-N 309.329 1.547 30 50 DDEA C=C(C)CN(CC)C(=O)C1=C(C)NC(=O)N[C@H]1c1nc(C)c[nH]1 65399180 JUXZDDQATNYXOF-CYBMUJFWSA-N 317.393 1.771 30 50 DDEA COc1cc(N/C(O)=N/[C@H]2CCO[C@@H]2c2nccn2C)ncn1 328639689 WZIWASSSKRJDER-CABZTGNLSA-N 318.337 1.075 30 50 DDEA O=C1CCCN1C1CCN(Cc2cc(C#CCO)cs2)CC1 71754505 CSIYNPOPGZGTGU-UHFFFAOYSA-N 318.442 1.679 30 50 DDEA CN(CCC#N)C(=O)CCN1C[C@@H](O)C[C@H]1c1cccc(F)c1 281857629 NYIDMIRWGDDGCO-HOTGVXAUSA-N 319.380 1.696 30 50 DDEA N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2nnc(N)o2)C1 585092537 CWPQMJLIZIEKCX-SECBINFHSA-N 314.305 1.816 30 50 DDEA O=C(NCC#C[C@H]1CCCCO1)c1csc(-c2ncc[nH]2)n1 891110181 POGHJNATHIXWDB-LLVKDONJSA-N 316.386 1.836 30 50 DDEA C#CCCC1(CCNC(=O)c2ncnn2C2CCOCC2)N=N1 2325891553 NYJPXCCASHIWTQ-UHFFFAOYSA-N 316.365 1.325 30 50 DDEA CC1(C)OB(c2cc(CS(C)(=O)=O)ccc2F)OC1(C)C 170017348 WKZSUEOGVASXEA-UHFFFAOYSA-N 314.187 1.670 30 50 DDEA Nc1nc2c(s1)[C@@H](c1cc(C#CCO)cs1)CC(=O)NC2 65410700 XDPJKDJZYUCZGJ-SECBINFHSA-N 319.411 1.282 30 50 DDEA CC(C)Nc1cc(N2CCN(c3ncccc3C#N)CC2)ncn1 65373256 YHWOLUVGIDJBMX-UHFFFAOYSA-N 323.404 1.890 30 50 DDEA Cc1nn(C)c(C)c1/C(O)=N/[C@@H](C(=O)N1CCOCC1)C(C)C 330445328 VHISRMHWSDNIKA-CQSZACIVSA-N 322.409 1.225 30 50 DDEA CO[C@H]1CCCN(/C(O)=N/C2CCN(C(=O)C3CC3)CC2)C1 328908479 MCKPOJDNSVLHMH-AWEZNQCLSA-N 309.410 1.412 30 50 DDEA N#Cc1ccnc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1 283023933 JZYZILWJEHQBEI-CYBMUJFWSA-N 308.345 1.142 30 50 DDEA Cn1cc(C(=O)NCc2cccc(C#N)c2)c([C@@H]2CCOC2)n1 275274341 JVGBCVGBBFFGQU-CQSZACIVSA-N 310.357 1.726 30 50 DDEA CN(Cc1ncccn1)[C@H]1CCN(C(=O)c2cccc(C#N)c2)C1 276013190 QGRXCKQEBKBOEW-INIZCTEOSA-N 321.384 1.695 30 50 DDEA CC1(C)OB(c2ccc(CN3CCOCC3)s2)OC1(C)C 169745796 CNLWVADWZRQAFZ-UHFFFAOYSA-N 309.240 1.880 30 50 DDEA in-vitro Cc1cc(C)nc(N=C(O)N2CCO[C@@H](c3nncn3C)C2)c1 328629198 OPQQGKIWUBTBCT-GFCCVEGCSA-N 316.365 1.446 30 50 DDEA CCN1CCN(C(=O)c2cc(C#N)cn2C)C[C@H]1c1ncc[nH]1 328642247 YJFWLWYTNMRGJZ-AWEZNQCLSA-N 312.377 1.139 30 50 DDEA N#C[C@H](NC(=O)c1cccc(C(=O)N[C@@H](C#N)C2CC2)c1)C1CC1 161885397 RWRGYSDNRPAXAX-HOTGVXAUSA-N 322.368 1.751 30 50 DDEA Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNc2ncc(C#N)cc2F)C1 952849937 WCYCPHKNMBXROW-DMDPSCGWSA-N 316.340 1.187 30 50 DDEA CCc1nc(CN2CC[C@H](n3ccc(N=C(C)O)n3)C2)no1 328632142 RQEXIKISPCQWKG-NSHDSACASA-N 304.354 1.883 30 50 DDEA C=CCn1c(CN)nnc1SCc1noc([C@H]2CCCO2)n1 426618040 ANBCOQHWMMYIEM-SECBINFHSA-N 322.394 1.450 30 50 DDEA N#C[C@]1(C(=O)NCc2nc(C(N)=O)cs2)CC12CCCC2 598246075 MFQJUFAFIKLCAI-AWEZNQCLSA-N 304.375 1.332 30 50 DDEA N#Cc1c[nH]c(N2CCCN(Cc3cccs3)CC2)nc1=N 1506405434 MIHWMMKMLWTSMA-UHFFFAOYSA-N 314.418 1.535 30 50 DDEA N#Cc1ccncc1N1CCN(c2ncccc2C(=O)O)CC1 592421139 OBMJNNHLEXYVSD-UHFFFAOYSA-N 309.329 1.373 30 50 DDEA C=C(C)CN(CC)c1nnnn1C[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1 952880813 XNHHJABFFMSUBS-OFQRWUPVSA-N 321.425 1.802 30 50 DDEA CO[C@H]1C[C@@H](OC)C12CCN(C(=O)c1cc(C#N)cn1C)CC2 1875328466 TWOPEHRUVJRJKH-GASCZTMLSA-N 317.389 1.553 30 50 DDEA C#CCCC1(CCNC(=O)c2cn3nc(C)sc3n2)N=N1 2325887380 LYKGVRAVTNTWDU-UHFFFAOYSA-N 302.363 1.795 30 50 DDEA NC1=C(c2nc3ccccc3c(=O)[nH]2)C(=O)CN1Cc1ccco1 138315 OBBURUBUPJRQRF-UHFFFAOYSA-N 322.324 1.228 30 50 DDEA CN/C(=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 4993623 AQYWHNWTQPJTPE-UHFFFAOYSA-N 319.342 1.950 30 50 DDEA C=CCOc1ccc(C(=O)NCCCN2CCOCC2)cc1 20639583 IULHGGQPDXFBBO-UHFFFAOYSA-N 304.390 1.704 30 50 DDEA N#Cc1cc2c(=O)n(C[C@@H](O)Cc3ccccc3)ccc2[nH]c1=O 67946406 NJMHZJFPANMFAT-AWEZNQCLSA-N 321.336 1.165 30 50 DDEA C=CCS[C@@H](C)C(=O)N1CCCn2nc(C(=O)OC)cc2C1 65431976 IBQLKVDWNDISRZ-NSHDSACASA-N 323.418 1.710 30 50 DDEA CC(=O)NC(C)(C)/C(N)=N/OCc1cnc2ccccc2c1 281285236 IZMZSNPKSCAPSH-UHFFFAOYSA-N 300.362 1.938 30 50 DDEA COC(=O)C(CC#CCN1CCCC1)CC#CCN1CCCC1 5526117 MTNDBNIIWCAQPR-UHFFFAOYSA-N 316.445 1.754 30 50 DDEA Cc1cc(N=C(O)CN(C)C[C@H]2CCc3nccn3C2)on1 328643001 RGKHIKJZQMTLOA-GFCCVEGCSA-N 303.366 1.962 30 50 DDEA CN(CC(O)=Nc1nncs1)C[C@H]1CCc2nccn2C1 328637703 ORVRPLHKYVAPHG-SNVBAGLBSA-N 306.395 1.517 30 50 DDEA COC(=O)CSc1n[nH]c(N/N=C/c2ccccc2F)n1 8377827 WVKAALPOTSCKOM-MKMNVTDBSA-N 309.326 1.655 30 50 DDEA COC(=O)CC1CCN(C(=O)c2cc(C#N)ccc2O)CC1 585089380 ILEAIJHXVUMAQH-UHFFFAOYSA-N 302.330 1.679 30 50 DDEA O=C([C@@H]1CCN(/C(O)=N/[C@H]2CC[C@H](O)CC2)C1)N1CCCC1 329537638 MFUAJHZIXBDMEM-MGPQQGTHSA-N 309.410 1.148 30 50 DDEA C=CCn1c(SCC(=C)C)nc2c1c(=O)n(C)c(=O)n2C 287479 JRJSUXVWEXGIPV-UHFFFAOYSA-N 306.391 1.288 30 50 DDEA C=CCOc1ccccc1C(=O)N1CCN2CCN(C)C[C@H]2C1 65403664 UTAAQIVWZZMSCF-HNNXBMFYSA-N 315.417 1.323 30 50 DDEA Cn1cnnc1[C@H]1CN(/C(O)=N/CCc2ccsc2)CCO1 328626565 LWAIZSNZLGBASP-GFCCVEGCSA-N 321.406 1.407 30 50 DDEA CC[C@H]1C(=O)N(C)CCN1C(=O)NCc1ccc(C#N)cc1 534578503 JTPMADDXGOIUQP-AWEZNQCLSA-N 300.362 1.320 30 50 DDEA CC(C)c1noc(CN/C=C2/C(=O)Oc3ccccc3C2=O)n1 822281265 JACHDMLYYNNNCH-YRNVUSSQSA-N 313.313 1.968 30 50 DDEA Cc1c(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc(C#N)n1C 1529151744 LVNYENJMIOZVIC-RHSMWYFYSA-N 311.389 1.031 30 50 DDEA N#Cc1c[nH]c(N2CCC(Cc3ccc(O)nc3)CC2)nc1=N 1772809203 OXBINFWJXSBMMA-UHFFFAOYSA-N 310.361 1.321 30 50 DDEA CO[C@@H]1C[C@@H](OC)C12CCN(C(=O)c1cc(C#N)cn1C)CC2 1875328468 TWOPEHRUVJRJKH-HUUCEWRRSA-N 317.389 1.553 30 50 DDEA C#CCOCCOC(=O)NCc1cccc(Cn2ccnc2)c1 1776005742 NKWSBJVDNUKPEH-UHFFFAOYSA-N 313.357 1.807 30 50 DDEA C=CCN(CC=C)C(=O)CN1CCC(c2nncn2C)CC1 65458345 GIQHWZPXHTXPMW-UHFFFAOYSA-N 303.410 1.195 30 50 DDEA CN1CCN(/C(O)=N/CC2(C3CC3)CC2)C[C@H]1c1ncc[nH]1 328617048 CIHZEFYHYXCXFR-ZDUSSCGKSA-N 303.410 1.802 30 50 DDEA Cc1ccc(N2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)nc1C#N 365000175 WNRKYVSYSDQCDR-MRXNPFEDSA-N 313.361 1.171 30 50 DDEA CO[C@H]1C[C@@H](C(N)=O)N(c2nc(C(F)(F)F)ccc2C#N)C1 284441523 FRFQKQUOQSIZQX-IUCAKERBSA-N 314.267 1.051 30 50 DDEA COc1cc(Cl)ccc1C(=O)N1CCN(C(=O)CC#N)CC1 288264501 YUGFWKDGVFQETL-UHFFFAOYSA-N 321.764 1.547 30 50 DDEA N#Cc1cc2c(nc1N1C[C@H](O)[C@@H](N3CCCC3)C1)CCCC2 670459035 UJVCAFMDCQERPV-IRXDYDNUSA-N 312.417 1.477 30 50 DDEA Cc1cccc(S(=O)(=O)NCC[C@@H]2CCCNC2)c1C#N 195555233 TUKALUXKTMKVJD-ZDUSSCGKSA-N 307.419 1.535 30 50 DDEA C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OC)c(OC)c2)C1=O 494153 ZCXYKJIKOTZJAS-FLIBITNWSA-N 316.313 1.352 30 50 DDEA COc1cccc(/C=N/N=C2\NC(=O)[C@H](CC(=O)O)S2)c1 5606214 LWCCFPXDZUDWBF-UQDQQJHMSA-N 307.331 1.091 30 50 DDEA Cc1nc(C(=O)N[C@H]2CCN(c3cccnc3)C2)ccc1C#N 363502041 GGMYUMDQUDRKRB-AWEZNQCLSA-N 307.357 1.665 30 50 DDEA COCCN(C)c1ccc(/C=C2\C(=O)c3ncnn3[C@H]2C)cn1 864086505 GTKSXFGYCOCEOF-LFTLCWSBSA-N 313.361 1.597 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H](C)C2(C(=O)O)CCOCC2)N=N1 952876203 FZHMMWBXUWVZTA-LBPRGKRZSA-N 321.377 1.728 30 50 DDEA O=C([C@@H]1CO1)N1CCC(c2nccc(C(F)(F)F)n2)CC1 1875372503 HEYVHBKWHYGCRF-VIFPVBQESA-N 301.268 1.600 30 50 DDEA C#CCCC1(CCC(=O)N2CCN[C@H](c3ccncc3)C2)N=N1 2325892684 WTDHXLYLSDOKCI-HNNXBMFYSA-N 311.389 1.910 30 50 DDEA O=[N+]([O-])c1ccc(O)c(/C=N/NS(=O)(=O)c2ccccc2)c1 2903573 GAVLWAVBXANOLX-NTEUORMPSA-N 321.314 1.613 30 50 DDEA C[C@@H]1CCCN(S(=O)(=O)CC2(C#N)CCCC2)[C@@H]1C(=O)O 424367335 LLUNDPAWZCMSRQ-NEPJUHHUSA-N 314.407 1.585 30 50 DDEA CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CC#N)C[C@H]1C(F)(F)F 330665483 RJUZWLGVTUPMDF-RKDXNWHRSA-N 306.284 1.879 30 50 DDEA Cc1ccc(NC(=O)NCCN2CCCC[C@@H]2CO)cc1C#N 299773542 DCCCWWHMXWMBNW-MRXNPFEDSA-N 316.405 1.835 30 50 DDEA Cc1cc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)nc(C)n1 826779226 MAMVUUSNIJBFJQ-UHFFFAOYSA-N 321.384 1.928 30 50 DDEA Cc1cccc(NC(=O)CN2C(=O)/C(=N\N)c3ccccc32)c1 5730711 JNASGHAAJHSGHB-SILNSSARSA-N 308.341 1.643 30 50 DDEA O/C(Cc1cc[nH]n1)=N/C[C@@H]1C[C@H](F)CN1c1cccnn1 328654654 XOPQSEYVXKUJFP-JQWIXIFHSA-N 304.329 1.316 30 50 DDEA CSc1nc(N2CCc3c(O)ncnc3C2)c(C#N)s1 1875294330 FCTYMFHEPHZZGJ-UHFFFAOYSA-N 305.388 1.795 30 50 DDEA N#C[C@H]1CCC[C@H]1S(=O)(=O)NCc1ccc2c(c1)OCO2 1775989580 QAZUDQWZGWLYKQ-BXUZGUMPSA-N 308.359 1.527 30 50 DDEA CN1C(C(=O)c2ccccc2)=C(N)c2ccccc2S1(=O)=O 616596 YCCNOWQXRLDYBC-UHFFFAOYSA-N 314.366 1.831 30 50 DDEA CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3CC[C@H]2C3)CC1 110705415 TWQFRBCQIPXWNA-JYJNAYRXSA-N 304.438 1.163 30 50 DDEA CO[C@@H]1C[C@H](c2nc(C)no2)N(C/C(O)=N/Cc2ccco2)C1 328640137 XEEGRIVYJUKRFZ-CHWSQXEVSA-N 320.349 1.890 30 50 DDEA CC1(C)OB(c2ccc(F)c(CN3CCOCC3)c2)OC1(C)C 170008831 MEFYLLKRLMZBPE-UHFFFAOYSA-N 321.201 1.957 30 50 DDEA O/C(=N/CCNc1cc(N[C@H]2CCCOC2)ncn1)C1CC1 328632221 LEJKTLMNXIYGSW-LBPRGKRZSA-N 305.382 1.846 30 50 DDEA CC(=O)N[C@H]1Cc2ccccc2N(Cc2cc(C#N)n(C)c2)C1 364471951 JPLARMCHBLDTJX-INIZCTEOSA-N 308.385 1.964 30 50 DDEA C=CCc1cc(C(=O)NCCCC(=O)NC)cc(OC)c1OC 298976509 FFIGBOZKKUNUTL-UHFFFAOYSA-N 320.389 1.688 30 50 DDEA N#Cc1cnc(NC2CCN(C(=O)N3CCCC3)CC2)nc1N 826799210 NJVOBQROINDOQC-UHFFFAOYSA-N 315.381 1.023 30 50 DDEA N#Cc1cc(F)c(N2CC[C@H](c3cc(O)nc(N)n3)C2)c(F)c1 600878958 HCHMZWXQZQVREV-VIFPVBQESA-N 317.299 1.908 30 50 DDEA CCN1CCN(/C(O)=N/Cc2ccoc2)C[C@@H]1c1ncc[nH]1 328646158 ZZDDPPIASRICAH-CYBMUJFWSA-N 303.366 1.796 30 50 DDEA CC(C)(C)NS(=O)(=O)C1(CNc2cc[nH]c(=N)c2C#N)CC1 2325861306 MCWLQKPLCPEHIB-UHFFFAOYSA-N 323.422 1.028 30 50 DDEA C#CCCC1(CCNC(=O)c2ccn([C@@H]3CCCNC3)n2)N=N1 2325900898 MZNCJSUVSRZDIH-CYBMUJFWSA-N 314.393 1.503 30 50 DDEA CCO/N=C/[C@@H]1C(=O)CC(C)(C)[C@](Cl)(C(=O)OC)C1=O 103542176 SIWQFKOPRRMTNM-MVDCXHGGSA-N 303.742 1.344 30 50 DDEA C=CCC(O)(CC=C)CNC[C@]1(O)CCCN2CCCC[C@@H]21 63857566 BHOKIBANGMZNGA-SJLPKXTDSA-N 308.466 1.839 30 50 DDEA N#CCCCS(=O)(=O)NC(=O)c1noc2c1CCCCC2 159638439 FCWKFJMSQHZYBS-UHFFFAOYSA-N 311.363 1.307 30 50 DDEA C=CCN1CC[C@H](CNC(=O)c2ccc3[nH]c(CO)nc3c2)C1 97729510 HSSWSOIQRAGHTQ-GFCCVEGCSA-N 314.389 1.293 30 50 DDEA CCC[C@@H]1COC[C@@H]2CN(Cc3cc(C#N)n(C)c3C)CCN21 1616079898 PARYANUMWNYFBE-AEFFLSMTSA-N 316.449 1.890 30 50 DDEA N#Cc1ccc(C(=O)N2CCc3nnc(N4CCCC4)cc3C2)[nH]1 952892949 KHCHSFRULFBKQG-UHFFFAOYSA-N 322.372 1.475 30 50 DDEA C#CCCC1(CCNC(=O)CCC(=O)c2cnn(C)c2)N=N1 2325891687 WAWKIVRBOPPYPO-UHFFFAOYSA-N 301.350 1.465 30 50 DDEA C[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C[C@H]1n1ccnc1 247338767 GPWRLWUBMIJRNT-FRFSOERESA-N 315.421 1.574 30 50 DDEA N#C[C@H]1CN(C(=O)COCCc2ccccc2)CCN1C1CC1 370986877 VTEBSKFTBZCHFV-KRWDZBQOSA-N 313.401 1.444 30 50 DDEA N#C[C@@H]1CN(Cc2ccc(-n3cncn3)cc2)CCN1C1CC1 371328064 RPDZXRVSFXUSOE-QGZVFWFLSA-N 308.389 1.439 30 50 DDEA CC(C)N(CCS(C)(=O)=O)C(=O)Nc1cccc(C#N)c1 159983123 DYENWCUQZSAFCB-UHFFFAOYSA-N 309.391 1.845 30 50 DDEA COc1ccc([C@@H](CO)CNC(=O)c2cc(C#N)cn2C)cc1 458258476 WNCLHXUWCLOXLB-CQSZACIVSA-N 313.357 1.411 30 50 DDEA CCc1nc(CN2CCN(c3ccc(C#N)cc3)C(=O)C2)no1 91645612 ZKPHQRNIMFQZSU-UHFFFAOYSA-N 311.345 1.352 30 50 DDEA C=CCN1C[C@@H](C(=O)NC2CC(C)(C)NC(C)(C)C2)CC1=O 820474880 UCDURTOHSGPNMR-LBPRGKRZSA-N 307.438 1.446 30 50 DDEA N#Cc1ccc(S(=O)(=O)N2CC[C@H](O)C2)cc1C(F)(F)F 269724846 QCEUGROWYGWSDS-VIFPVBQESA-N 320.292 1.332 30 50 DDEA O=S(=O)(CC[C@@H]1CCCCO1)NCC#Cc1cccnc1 1615054890 CADWCUWSIYTGQU-HNNXBMFYSA-N 308.403 1.312 30 50 DDEA CN(C)c1cc(N/N=C/c2cccc(O)c2)nc(N(C)C)n1 5004159 QGTIBADILMGEDL-MHWRWJLKSA-N 300.366 1.760 30 50 DDEA CN(Cc1cc(O)nc(N)n1)[C@H]1CCN(c2ccc(C#N)cc2)C1 434228535 PQWYHOPVZTWSAT-HNNXBMFYSA-N 324.388 1.347 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@@H](n3ccnn3)C2)N=N1 952882031 RBGJSVTUJMNDEY-CYBMUJFWSA-N 300.366 1.797 30 50 DDEA O=C1C[C@H](/N=C(/O)Nc2cccc3c2OCO3)CN1C1CC1 329465883 RORAHKCZJGFDIV-VIFPVBQESA-N 303.318 1.505 30 50 DDEA CC(O)=Nc1ccn([C@H]2CCN(C(=O)c3nonc3C)C2)n1 328611253 KXUNPOPVRWALCY-JTQLQIEISA-N 304.310 1.270 30 50 DDEA Cn1nccc1CN1C[C@@H](F)C[C@H]1C/N=C(/O)c1cnns1 328629936 IUUSGBQHMCUMES-ONGXEEELSA-N 324.385 1.189 30 50 DDEA CC1(C)OB(c2cc(S(C)(=O)=O)ccc2F)OC1(C)C 226135935 IJZCAGDXMTWQTH-UHFFFAOYSA-N 300.160 1.528 30 50 DDEA C=CCOc1ccc(C(=O)N2CCO[C@H]([C@H](C)O)C2)cc1OC 408521435 UHTITLCKPPQDTN-LRDDRELGSA-N 321.373 1.482 30 50 DDEA CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169811108 CTBRPVYZBIZUDQ-UHFFFAOYSA-N 311.212 1.236 30 50 DDEA in-vitro COc1cc2c3c(c1)/C(=N\NC(=N)N)C(=O)N3C(C)(C)C=C2C 1740816832 XFVKTLQHTABJPV-XDHOZWIPSA-N 313.361 1.424 30 50 DDEA CCn1nccc1[C@H]1NC(=O)CC[C@@H]1NC(=O)C#CC(C)(C)C 849366626 QSXNSZFSKASZDB-LRDDRELGSA-N 316.405 1.388 30 50 DDEA CCc1ccc(C(=O)N2CCO[C@@H](c3nc[nH]n3)C2)cc1C#N 2325798101 MUNOEDMFATYKHY-CQSZACIVSA-N 311.345 1.452 30 50 DDEA CN(C)c1cc(C#N)cc(C(=O)N2CCC(N3CCC3)CC2)c1 912871816 CZNWGYHBICPRTH-UHFFFAOYSA-N 312.417 1.935 30 50 DDEA C#CCOc1ccc(Cl)cc1C=C1C(=O)NC(=O)NC1=O 2969804 PKPYWLKKVCJXHF-UHFFFAOYSA-N 304.689 1.101 30 50 DDEA CCn1nnc(=NC(=O)CC2=C(c3ccccc3)CCC2=O)[nH]1 2356169710 WTPFVVSNOHIDIM-UHFFFAOYSA-N 311.345 1.260 30 50 DDEA O=C1C[C@@H](C(=O)Nc2ccccc2F)C2=C(CCCC2=O)N1 100418440 TXSKXCRWMMWXRN-SECBINFHSA-N 302.305 1.907 30 50 DDEA O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2ccsc2)cc1 372845 JOBYFKGRQHCJLQ-KPKJPENVSA-N 311.344 1.969 30 50 DDEA C[C@@H]1CN(/C(O)=N/CCn2ccnc2)C[C@@]2(CCCOC2)O1 328588325 BWKGKZLZQQMWHL-UKRRQHHQSA-N 308.382 1.067 30 50 DDEA O=C(O)c1ccccc1/N=C1\NS(=O)(=O)c2ccccc21 4633398 SSUZPRZTWRFTLE-UHFFFAOYSA-N 302.311 1.755 30 50 DDEA CCN1CCN(/C(O)=N/Cc2ccco2)C[C@@H]1c1ncc[nH]1 328625027 KHCMZARVCYGOJU-CYBMUJFWSA-N 303.366 1.796 30 50 DDEA CN1CCN(/C(O)=N/CC[C@@H]2CCCO2)C[C@@H]1c1nccn1C 328623706 JICSZVZWGIFBHR-UONOGXRCSA-N 321.425 1.192 30 50 DDEA CC/N=C(/O)N1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1 329255048 BGWQKVVLDPEEAT-UHFFFAOYSA-N 301.350 1.255 30 50 DDEA CC[C@@H](C)[C@H](C(=O)O)N(C)S(=O)(=O)c1cccc(CC#N)c1 619471318 FCSXTIZFLJWRLW-BXUZGUMPSA-N 324.402 1.872 30 50 DDEA N#Cc1ccc(NCC(=O)N2CCC[C@@H](n3ccnn3)CC2)cc1 585128009 PIPBGEXTQFXTPW-MRXNPFEDSA-N 324.388 1.815 30 50 DDEA N#C[C@H](Cc1ccc(F)cc1F)OC(=O)CCc1nc[nH]n1 774318425 FJAWQCGUEBRYCG-NSHDSACASA-N 306.272 1.694 30 50 DDEA CO[C@@H]1CN(C(=O)c2ccc(F)c(C#N)c2)C[C@H]1c1cnn[nH]1 591677597 OOGMHLCVOZEBNV-SMDDNHRTSA-N 315.308 1.070 30 50 DDEA CN(C)c1ccc([C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)nn1 591604692 MWAVZXLBLNMAKN-AWEZNQCLSA-N 310.361 1.720 30 50 DDEA C=C[C@H](CO)NC(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C 826587441 AFWGOEPGXYACTM-MRVPVSSYSA-N 314.267 1.264 30 50 DDEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(F)(C#N)CC3)n[nH]c21 1875395282 VLPNXYTVYOIZKH-ZJUUUORDSA-N 306.341 1.900 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H](O)c2cccc3c2OCC3)N=N1 2325887388 MYZNCRFUQTUGCD-AWEZNQCLSA-N 313.357 1.737 30 50 DDEA C[C@@H]1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@H]1CN 246613545 SGNUMYNBMMEMSY-DOMZBBRYSA-N 307.419 1.447 30 50 DDEA CCn1cnnc1[C@@H]1CN(/C(O)=N/CC2(OC)CCC2)CCO1 328623157 IYKZFBXCULZBGB-LBPRGKRZSA-N 323.397 1.154 30 50 DDEA N#Cc1ncn(C[C@@H]2CCN(C(=O)c3ccccc3)C2)c1C#N 282129894 CHFLFTJOHJXALM-CYBMUJFWSA-N 305.341 1.789 30 50 DDEA N#CCOc1ccc(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 370995324 ZGQGSXXXBLUYRI-MRXNPFEDSA-N 324.384 1.330 30 50 DDEA N#Cc1ccc(N2CC[C@](O)(c3c[nH]nn3)C2)c(C(F)(F)F)c1 284694907 YEYYUEMJDXIEJD-CYBMUJFWSA-N 323.278 1.793 30 50 DDEA C#Cc1ccc(C(=O)N[C@H]2CCc3c(nc(C)n3CCO)C2)cc1 585122240 SGFLZGPNRWISEM-INIZCTEOSA-N 323.396 1.452 30 50 DDEA C=CC[C@H](C(=O)NC[C@@H](O)[C@H]1COC(C)(C)O1)c1ccccc1 1615606126 SGEUMLJOIXIYFY-ARFHVFGLSA-N 319.401 1.975 30 50 DDEA COc1ccccc1N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1=O 150926762 NBFALTASUJCHHW-LBPRGKRZSA-N 324.340 1.430 30 50 DDEA C#CCCC1(CCC(=O)N[C@H](CC2CCOCC2)C(=O)O)N=N1 952878947 KVIOMUGWJHBHET-CYBMUJFWSA-N 321.377 1.728 30 50 DDEA CC(=O)C1=C(O)C(=O)N(CCCC(=O)O)[C@@H]1c1ccccc1 20113250 BXYLWAMRNSCKHT-CQSZACIVSA-N 303.314 1.836 30 50 DDEA biogenic COc1ccnc(N2CC[C@@](/N=C(/C)O)(c3noc(C)n3)C2)n1 328614609 WIGJZGNCDKLQGD-AWEZNQCLSA-N 318.337 1.259 30 50 DDEA Cc1nc2c(s1)CCC[C@@H]2C/N=C(/O)N[C@H]1CCN(C)C1=O 328616666 BZIBFZJMEAQWBQ-MNOVXSKESA-N 322.434 1.606 30 50 DDEA C=C(C)C(C)(C)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 424837824 OFWCTCJGGFMVFF-GFCCVEGCSA-N 302.440 1.471 30 50 DDEA C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)CC1(O)CCOCC1 602845220 ILSIZFHQAHNSCK-PBHICJAKSA-N 318.417 1.844 30 50 DDEA C=CCOc1cccnc1C(=O)N1CCO[C@]2(CCCOC2)C1 329180605 OIWCGLUFPMYKAQ-QGZVFWFLSA-N 318.373 1.668 30 50 DDEA O=S1(=O)CCC(/N=C(/O)c2ccc(C(F)(F)F)nc2)CC1 330438113 CBOIGKMSQHTUAD-UHFFFAOYSA-N 322.308 1.982 30 50 DDEA CN1C(=O)N[C@@H]2CN(C(=O)c3c(F)cc(C#N)cc3F)CC[C@@H]21 286094215 DNYIPUJDBXPMBD-NEPJUHHUSA-N 320.299 1.075 30 50 DDEA N#Cc1cccnc1N1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1 426471313 FXSPKUNGBALMBI-HZPDHXFCSA-N 322.368 1.323 30 50 DDEA C=CCn1cc(CNCc2nc(-c3ccncc3)n[nH]2)c(C)n1 952961435 SSDWDQCVFVDFPO-UHFFFAOYSA-N 309.377 1.847 30 50 DDEA N#Cc1cccc(C(=O)N[C@H]2CCCN(c3nccnc3O)C2)c1 275845180 WKSUFOBZQZYZOL-AWEZNQCLSA-N 323.356 1.453 30 50 DDEA CC1(C)Cc2cccc(S(=O)(=O)N3CCOC[C@@H]3C#N)c2O1 192621526 BLFDIGXKCJNOCB-LBPRGKRZSA-N 322.386 1.313 30 50 DDEA CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 4321151 OTFWKPXMHCCKRR-XWMVSFSJSA-N 310.400 1.308 30 50 DDEA C/N=C1/S[C@@H](CC(=O)Nc2cccc(C(=O)O)c2)C(=O)N1C 1796153 BLYIEBDUBABEFW-SJHSGFPMSA-N 321.358 1.273 30 50 DDEA Cc1cc(C#N)cc(N2CCN(c3nc(C)ns3)CC2)n1 225821244 LLMUYRUZZYRKRL-UHFFFAOYSA-N 300.391 1.748 30 50 DDEA C=C(Cl)C[C@H](NS(=O)(=O)c1cnc(C(C)C)[nH]1)C(=O)O 863421753 VEGQMAVNBIMYTG-QMMMGPOBSA-N 321.786 1.407 30 50 DDEA COC1(CN(C)C)CCN(C(=O)c2cc(F)cc(C#N)c2)CC1 2356146248 YEMWCDDOGIQZAW-UHFFFAOYSA-N 319.380 1.880 30 50 DDEA N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 225429079 OADQAJXUYMBBLD-MGPQQGTHSA-N 320.370 1.072 30 50 DDEA Cc1[nH]cnc1CN1CC[C@@H](CNC(=O)c2ccccc2C#N)C1 67895164 DPKGGDHOWCOJGJ-AWEZNQCLSA-N 323.400 1.842 30 50 DDEA CCn1cnnc1[C@@H]1CN(/C(O)=N/C(C2CC2)C2CC2)CCO1 328626186 LLXHGDOUWKAGLP-ZDUSSCGKSA-N 319.409 1.774 30 50 DDEA CCOC(=O)[C@@H](F)N1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O 253425892 KAYAPVVNJIGAQI-NHYWBVRUSA-N 319.292 1.184 30 50 DDEA C=C(C)CN(CC)C(=O)C(=O)Nc1ccc([S@@](C)=O)cc1 154681053 MQRXASUALVLWCH-NRFANRHFSA-N 308.403 1.787 30 50 DDEA N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)c1 364170926 NQNGRSICRGJZJH-UWVGGRQHSA-N 318.757 1.305 30 50 DDEA CC(C)(C)C[C@@H](O)CC(=O)N1CCC(n2cnc(C#N)n2)CC1 366253811 GAQCKPIBKCPUAL-ZDUSSCGKSA-N 319.409 1.500 30 50 DDEA CO[C@H]1C[C@@H](CN(C)CCOc2cccc(C#N)c2)N(C)C1 284966611 WZRBZKHIQBYALQ-RDJZCZTQSA-N 303.406 1.588 30 50 DDEA CN1CC[C@@H]2OCCN(C(=O)c3ccccc3OCC#N)[C@H]2C1 285291360 OTWSUIAZENGPHN-HOCLYGCPSA-N 315.373 1.134 30 50 DDEA O=C(CCOCCOCc1ccccc1)ON1C(=O)CCC1=O 381910033 JYTNQRCNOSJBKR-UHFFFAOYSA-N 321.329 1.217 30 50 DDEA CCNC(=O)[C@@]12CCOC[C@H]1CN(c1ccc(C#N)c(C)n1)C2 685940372 HOSQWYSNUCBAAZ-RHSMWYFYSA-N 314.389 1.241 30 50 DDEA Cc1cc(C#N)ccc1C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328624694 JZQGCFCYGBRLBR-OAHLLOKOSA-N 309.373 1.719 30 50 DDEA CCCN(CC(=O)O)S(=O)(=O)c1ccc(F)cc1C#N 262348693 APHQAKVKBKNXCS-UHFFFAOYSA-N 300.311 1.183 30 50 DDEA C#CCCC1(CCNC(=O)c2c(O)nnc3c2CCCC3)N=N1 2325891702 WQDVWHUMXXIVOY-UHFFFAOYSA-N 313.361 1.756 30 50 DDEA Cc1c(C#N)c(=O)n(CCC[C@@H]2CCOC2)c(=O)n1C1CC1 601092197 GWEKEXPGTJFFAD-GFCCVEGCSA-N 303.362 1.342 30 50 DDEA CCc1onc(C)c1N/C(O)=N/C[C@@H]1CC(=O)N(C2CC2)C1 329322358 FKSUVQNPKQQKER-JTQLQIEISA-N 306.366 1.882 30 50 DDEA C=CCN1CCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1 17030935 FRFOHYZFNKAADC-UHFFFAOYSA-N 303.362 1.793 30 50 DDEA Cc1ccncc1N/C(O)=N/[C@H]1CCO[C@@H]1c1nccn1C 328637407 VXWWNULSZHPTTN-AAEUAGOBSA-N 301.350 1.980 30 50 DDEA C/N=C(/NCc1ncnn1C)N(C)CCOc1ccccc1C 86665318 WPAQDLNJJDRRFK-UHFFFAOYSA-N 316.409 1.210 30 50 DDEA C=C(C)C[C@@H](C)C(=O)NCCCn1cnc2c(N)ncnc21 585127103 QAGGZXBDHFPMGD-LLVKDONJSA-N 302.382 1.517 30 50 DDEA Cn1ncc(C(=O)Nc2nc3cc(Cl)ccn3n2)c1C#N 362301767 UJHKQDWPZAOPSW-UHFFFAOYSA-N 301.697 1.240 30 50 DDEA N#Cc1c(F)cccc1N1CCC([C@@H]2CC[C@H](C(N)=O)O2)CC1 952889621 CNRZZTPSYITADX-JKSUJKDBSA-N 317.364 1.947 30 50 DDEA C=CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 4197585 GGIKUIZISTVUFV-UHFFFAOYSA-N 308.403 1.390 30 50 DDEA C=C(C)CN(C)S(=O)(=O)c1ccc(OC)cc1CC(=O)O 135288607 GESXBRGHPZUYGD-UHFFFAOYSA-N 313.375 1.519 30 50 DDEA CN(C)c1noc(CN2CCC[C@@]3(CCCCO3)[C@H]2C#N)n1 253397140 UOXSYRJRZHOLMU-DOMZBBRYSA-N 305.382 1.563 30 50 DDEA Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2ccc(C#N)cn2)CC(=O)N1C 328610364 HLDUFQHEDYMXGP-CXAGYDPISA-N 324.388 1.688 30 50 DDEA C#CCOc1ccccc1CN1CC[C@H](S(=O)(=O)NCC)C1 181563308 SRUOTRMAFCQKRG-HNNXBMFYSA-N 322.430 1.212 30 50 DDEA CC(C)[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1C(C)C 408519640 KPDHFBYNMYPLAQ-CHWSQXEVSA-N 304.394 1.072 30 50 DDEA COC(=O)C1=C(C)N/C(=C/c2cccc(OC)c2OC)C1=O 4094629 ZKBOJTLMLPEUDN-DHZHZOJOSA-N 303.314 1.664 30 50 DDEA C#CCCC1(CCC(=O)N2CCN(C[C@@H]3CCOC3)CC2)N=N1 952880319 FMWDLQQTTDFLEG-HNNXBMFYSA-N 318.421 1.523 30 50 DDEA COCc1nc([C@H]2CN(c3ccc(C#N)cn3)C[C@@H]2C2CC2)n[nH]1 952850695 ODBVNEAHCWAOKG-KGLIPLIRSA-N 324.388 1.848 30 50 DDEA C=CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 2971400 FGBCTVWTABVMSQ-UHFFFAOYSA-N 316.382 1.850 30 50 DDEA O=C1N=C(O)/C(=N\Nc2cccc(Br)c2)C(=O)N1 6974409 KOGCWKLOIKQIKS-UHFFFAOYSA-N 311.095 1.423 30 50 DDEA C[C@H](/C(O)=N/C1CC(N(CC(=O)O)CC2CC2)C1)n1cncn1 328644074 RQAWEMLVJPRJTA-QFWMXSHPSA-N 321.381 1.123 30 50 DDEA C=CCNC(=S)N/N=C/c1cc(OC)c(OC)c(OC)c1 6403537 GIUVJDBJMBLREF-CXUHLZMHSA-N 309.391 1.696 30 50 DDEA C=CCNC(=S)Nc1ccc(NC(=O)CCC(=O)O)cc1 2703240 KPLRPRCCYIAGKT-UHFFFAOYSA-N 307.375 1.962 30 50 DDEA CC(O)=Nc1ccn([C@@H]2CCN(C(=O)c3cncc(O)c3)C2)n1 328629794 PEKMZUXDZKPCJY-GFCCVEGCSA-N 315.333 1.679 30 50 DDEA N#Cc1ccc(OC2CN(C(=O)C[C@H]3COC(=O)C3)C2)cc1 130436410 KGHOTUQGHCFQPO-GFCCVEGCSA-N 300.314 1.101 30 50 DDEA Cc1noc([C@H]2CN(c3ccc(C#N)cc3F)CCN2C)n1 284616810 SFMOFBSEFYANJE-CQSZACIVSA-N 301.325 1.882 30 50 DDEA N#Cc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)cc1F 263484909 MHDLKYUHADEMLC-GAFUQQFSSA-N 324.333 1.324 30 50 DDEA CCOc1cccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c1 225706892 KJSXNSOQDIGZCC-AWEZNQCLSA-N 310.375 1.388 30 50 DDEA CC(C)c1ccc(C#N)c(N2CCN(CCC(N)=O)CC2)n1 670457968 PHPOGFSYFRWIBR-UHFFFAOYSA-N 301.394 1.074 30 50 DDEA N#Cc1ccc(F)cc1CN1CCC[C@@](O)(c2cnn[nH]2)C1 583617922 KNADXXUACUBHSQ-HNNXBMFYSA-N 301.325 1.299 30 50 DDEA N#Cc1c(Cl)nsc1N1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@@H]21 585092077 DINMNISIJPFUSX-WBXOXBGOSA-N 323.805 1.233 30 50 DDEA C=CCNc1ncnc2sc(C(=O)NC[C@H](C)O)c(C)c12 14960038 QOVAYLBGOATIQJ-QMMMGPOBSA-N 306.391 1.708 30 50 DDEA CC(C)(C#N)c1ccccc1CN1CCC[C@](O)(C(N)=O)C1 225480676 HGVUKTWSPWANGN-QGZVFWFLSA-N 301.390 1.300 30 50 DDEA C=CC(=O)N(C)CC(=O)N[C@H](C)c1ccc(OCC#N)cc1 1875366211 MPWKCABGOXJQFE-GFCCVEGCSA-N 301.346 1.411 30 50 DDEA C#CCCC1(CCC(=O)N2C[C@@H](N)[C@H](c3ccnn3C)C2)N=N1 2325900834 KTZUIJGCJZWIAP-CHWSQXEVSA-N 314.393 1.029 30 50 DDEA Cc1nc(C#N)c(N)nc1N1CCN([C@@H](C)C(F)(F)F)CC1 225652608 RSYVPVJVEPWICI-VIFPVBQESA-N 314.315 1.312 30 50 DDEA N#Cc1ccccc1OC[C@@H](O)CS(=O)(=O)c1ccccc1 1399235 GBEJSYUFDQLUED-CQSZACIVSA-N 317.366 1.772 30 50 DDEA N#Cc1ccccc1C(=O)N1CCC(CN2CCOCC2)CC1 82134147 OLCWBJJGDGDZAR-UHFFFAOYSA-N 313.401 1.743 30 50 DDEA C=CC[C@]1(CO)CCCN(S(=O)(=O)c2ccccc2C#N)C1 91548736 UCWNXDAKAWSPEQ-INIZCTEOSA-N 320.414 1.898 30 50 DDEA C#CCN(CC(=O)N1C[C@H](C)O[C@@H](C)C1)Cc1cccc(C)n1 195531577 KMVOITNCCNUKBI-HOTGVXAUSA-N 315.417 1.461 30 50 DDEA O=C(C/N=C(/O)CC1CCCC1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 328599708 CJVGNYAZAZKJIT-HNKZQRQQSA-N 306.406 1.751 30 50 DDEA C#CCCC1(CCC(=O)N2CCCN(C(=O)CC)CC2)N=N1 952881987 QSEVWQCNFLBPTG-UHFFFAOYSA-N 304.394 1.813 30 50 DDEA COC[C@@H]1CCCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 240744097 HULZPPIAIXDEBF-QWHCGFSZSA-N 303.428 1.071 30 50 DDEA CC(C)CN1C(=O)[C@@]2(CCCNC2)NC1=NC(=O)OC(C)(C)C 328578317 HSHRFFFZTGESCG-INIZCTEOSA-N 324.425 1.488 30 50 DDEA CCO[C@@H]1C[C@H](/N=C(/NC)NCc2ccco2)[C@@]12CCCO2 170595106 XGCLMUZMAUXQLK-LZWOXQAQSA-N 307.394 1.671 30 50 DDEA C#C[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)[C@H]1CCOC1 170616424 RBCDFRVBLFMCHX-CABZTGNLSA-N 317.769 1.796 30 50 DDEA CC(=O)c1cnccc1NS(=O)(=O)c1cccc(C#N)c1 170609199 CBHZYSXQJPZXOV-UHFFFAOYSA-N 301.327 1.957 30 50 DDEA C[C@H](Oc1cccc(C#N)c1)C(=O)N1CC[C@](C)(C(=O)O)C1 237650260 UXQLRJLRNPJBAN-ZBEGNZNMSA-N 302.330 1.649 30 50 DDEA Cc1ccnc(N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)n1 253392248 QNCLGFHVQAGNDT-SJKOYZFVSA-N 305.341 1.635 30 50 DDEA Cc1nc(N2CCC[C@@](O)(CC(=O)N(C)C)C2)ccc1C#N 591617562 DXYAASHFGPOAAR-MRXNPFEDSA-N 302.378 1.071 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@@H](CNC(C)=O)C2)N=N1 952880331 FOSUMBPEDGPVBH-AWEZNQCLSA-N 304.394 1.717 30 50 DDEA C#CCCC1(CCC(=O)N2CCCC[C@@H]2Cc2nn[nH]n2)N=N1 2325886397 VQCNMIQOPPGUEE-GFCCVEGCSA-N 315.381 1.479 30 50 DDEA C#CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)Nc3ncnn32)cc1 4832254 IVSPPYXLQAJASP-OAHLLOKOSA-N 324.340 1.752 30 50 DDEA C=CCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 8316872 VEKIFTMGDIWVCA-UHFFFAOYSA-N 314.432 1.451 30 50 DDEA CN(C)C[C@@H]1COCCN(Cc2ccc(C#CCO)cc2)C1 215474494 RWOSGADOEIWGJY-SFHVURJKSA-N 302.418 1.040 30 50 DDEA N#Cc1c[nH]c(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1 175633118 VYBFVTUILUGMOA-ZDUSSCGKSA-N 302.378 1.071 30 50 DDEA C=CCNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 15075721 WVSJXGJSFYMMSM-GFCCVEGCSA-N 307.781 1.926 30 50 DDEA N#Cc1cccc(S(=O)(=O)NCc2nc3c([nH]2)CCCC3)c1 952995599 RCMJZSMXDMWTGD-UHFFFAOYSA-N 316.386 1.639 30 50 DDEA C#CC1(S(=O)(=O)NC(=O)c2cnc(C)nc2C(C)C)CC1 1875285316 JUTUBXONKASSNW-UHFFFAOYSA-N 307.375 1.134 30 50 DDEA C=CCOc1ccccc1CN(CC)C(=O)C1(C(N)=O)CC1 55383576 QJAWOONFMBGTKW-UHFFFAOYSA-N 302.374 1.865 30 50 DDEA CC1(C)OB(c2cc(C(=O)O)c(F)c([N+](=O)[O-])c2)OC1(C)C 170003635 AYPQXFGCVHGABO-UHFFFAOYSA-N 311.074 1.731 30 50 DDEA CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@H]3CC[C@H]2C3)CC1 110705410 TWQFRBCQIPXWNA-HRCADAONSA-N 304.438 1.163 30 50 DDEA CCS(=O)(=O)C[C@@H](C)/N=C(/O)N1CCOCC2(CCC2)C1 328587340 DYUGHTRLBKIACA-GFCCVEGCSA-N 318.439 1.226 30 50 DDEA CN(C[C@@H]1C[C@H](F)CN1c1cccnn1)c1ccc(C#N)cn1 328651084 VVLLGUIQXPJIJC-KBPBESRZSA-N 312.352 1.796 30 50 DDEA N#Cc1cc(F)ccc1N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 253432859 OWIQMOSGHZZEHS-CQSZACIVSA-N 323.393 1.006 30 50 DDEA N#Cc1ccc(C2(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)cc1 372496349 LHEQOKLPCNGKRY-KRWDZBQOSA-N 320.396 1.789 30 50 DDEA N#Cc1cccc([C@H]2CN(C(=O)CCc3ccncn3)CCO2)c1 242164695 WXBWZFSHJOIMMJ-QGZVFWFLSA-N 322.368 1.881 30 50 DDEA Cn1cc([C@@H](O)C[C@@H]2CCCN2c2ccc(C#N)c(N)n2)cn1 848674552 FQOHBALVJOCQIP-KBPBESRZSA-N 312.377 1.361 30 50 DDEA Cc1cc(C#N)nc(NC[C@@H]2CCCO[C@H]2c2nccn2C)n1 858007898 CTCRTCYJDGTZPZ-GXTWGEPZSA-N 312.377 1.970 30 50 DDEA Cc1noc(C[C@]2(O)CCCN(c3ccc(C#N)c(C)n3)C2)n1 886027431 YECGUVJTCQQPKC-MRXNPFEDSA-N 313.361 1.527 30 50 DDEA CN(Cc1cnccn1)C(=O)c1cccc(C#CC(C)(C)O)c1 65398527 TTYDTMPLFZGUKB-UHFFFAOYSA-N 309.369 1.871 30 50 DDEA C[C@H](C#N)CN(C)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 229454107 XQVJNQVRLMVHEZ-CZUORRHYSA-N 319.380 1.817 30 50 DDEA Cn1c(=O)n(C)c2cc(CNC(=O)c3ccccc3C#N)ccc21 219253091 MMVMLSOTQZUJOK-UHFFFAOYSA-N 320.352 1.679 30 50 DDEA C=C(C)C[C@H](C)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 184154748 CQMZZKCTGGUOKZ-ZDUSSCGKSA-N 320.393 1.283 30 50 DDEA N#Cc1cccnc1N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O 1565531137 DAKAGRONFKRYIK-HOTGVXAUSA-N 322.368 1.641 30 50 DDEA CCO[C@@H]1C[C@](CO)(NC(=O)c2cccc(C#N)c2)C1(C)C 188764754 WTDBOJZBJXDSHM-RHSMWYFYSA-N 302.374 1.854 30 50 DDEA C=CCNc1ccccc1C(=O)N1CC[C@@H](O)C[C@H]1C(=O)O 210003510 URJRUVACVGHDSL-RISCZKNCSA-N 304.346 1.335 30 50 DDEA C=CCCS(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 120625551 FMTAWEHQEPABTG-MRXNPFEDSA-N 319.430 1.602 30 50 DDEA C=CCOC(=O)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 25722429 OSIUYHBPBBOKMJ-JTQLQIEISA-N 316.354 1.657 30 50 DDEA CC#CCN1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 328603928 HMSUTPOXFLGHNQ-CXAGYDPISA-N 309.373 1.903 30 50 DDEA Cc1cc(CN[C@@H]2CCCN(S(C)(=O)=O)C2)ccc1C#N 331307187 XHYHFLMXUTWGGY-OAHLLOKOSA-N 307.419 1.380 30 50 DDEA COCC(C)(C)C(=O)N1CCN(c2ccccc2C#N)CC1 126490957 SIIXHGHZDRLUJK-UHFFFAOYSA-N 301.390 1.879 30 50 DDEA N#C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)CCN1C1CC1 370968767 NLOBCVJFMOCMOF-QGZVFWFLSA-N 321.384 1.685 30 50 DDEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccccc1O)[C@H]1C=C[C@H]2C12CC2 245294734 AARNCCBGUCFTLL-NHAMYYISSA-N 308.337 1.923 30 50 DDEA CC(=O)c1ccc(NN=C(C(=O)N2CCCC2)C(N)=S)cc1 254742300 SNWIOFAGZDVWLG-UHFFFAOYSA-N 318.402 1.566 30 50 DDEA C#CC(C)(C)OC[C@@H](O)CN1CCN(c2ccccc2F)CC1 12381144 FJZDZIPSPHWLEP-HNNXBMFYSA-N 320.408 1.737 30 50 DDEA C#CCCC1(CCC(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)N=N1 952879874 BXHLAXIIOFSKMG-HIFRSBDPSA-N 305.378 1.749 30 50 DDEA O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@H]1CO1 1875373240 WPYQDRPOWLJAIH-JOYOIKCWSA-N 300.280 1.799 30 50 DDEA O=C([C@H]1CO1)N1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 1875372582 ISUHZQMAGUCBKV-HZPDHXFCSA-N 320.433 1.805 30 50 DDEA COc1ccc(C#N)cc1CN(C)C[C@@H]1C[C@H](OC)CN1C 345144871 NIENMYIWYMQIFH-HOTGVXAUSA-N 303.406 1.718 30 50 DDEA O=C(O)C(F)(F)N1C[C@@H](C(F)(F)F)O[C@@H](C(F)(F)F)C1 100698851 UAIHDPZPOAHNGV-ZXZARUISSA-N 317.132 1.858 30 50 DDEA N#Cc1ccc(OC[C@H](O)CN2CCc3ccc(CO)cc32)cc1 363437730 VVRZRASEXXASOW-QGZVFWFLSA-N 324.380 1.853 30 50 DDEA CCCNC(=O)CN1CCC(Nc2cccnc2C#N)CC1 242140857 WPWUPRTWFUJUEQ-UHFFFAOYSA-N 301.394 1.356 30 50 DDEA C[C@@H]1CO[C@]2(N=C(N)[C@]3(C#N)[C@H](c4ccccc4F)[C@]23C#N)O1 247954485 LHUVWCBNHUXZJD-BNCSCUGKSA-N 312.304 1.403 30 50 DDEA CC1(C)OB(c2ccc3c(c2)CCN3S(C)(=O)=O)OC1(C)C 200306215 SNXOAATVSLLHGY-UHFFFAOYSA-N 323.223 1.308 30 50 DDEA Cc1cnc([C@H](C)NC(=O)c2ccc(C#CC(C)(C)O)o2)[nH]1 952987189 KLOMYOIATMHJDP-NSHDSACASA-N 301.346 1.925 30 50 DDEA O=[N+]([O-])c1ccc(/C=N/NS(=O)(=O)c2ccccc2)s1 438059 VVAYFSKLSWSRPC-XYOKQWHBSA-N 311.344 1.969 30 50 DDEA O/C(=N/C[C@@H]1C[C@H](F)CN1c1cccnn1)c1ccc(O)nc1 328655406 YIYOFVQMIMPKFJ-RYUDHWBXSA-N 317.324 1.499 30 50 DDEA CNC(=O)C[C@]1(O)CCCN(c2ccc(Cl)c(C#N)n2)C1 591620328 ICHXXWVTYRDVIC-CQSZACIVSA-N 308.769 1.074 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)N=N1 952882926 ZHGBCVAKYIHZRU-CHWSQXEVSA-N 302.378 1.612 30 50 DDEA N#Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2C=CS(=O)(=O)C2)cc1 1875292623 NZJUBWRHTMADAY-HZSPNIEDSA-N 302.355 1.089 30 50 DDEA N#Cc1cc(=N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)[nH]c(C2CC2)n1 1875399087 OINRKCKDYZDHBJ-NILFDRSVSA-N 324.388 1.096 30 50 DDEA CC(=O)N1CCO[C@H]2CCN(c3ccc(C#N)cc3F)C[C@@H]21 886051497 GYWHTJGTXZSLCF-HOTGVXAUSA-N 303.337 1.523 30 50 DDEA CO[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1c1cn(C)nn1 886071738 CGBCYWSZNPSKCH-GOEBONIOSA-N 315.352 1.440 30 50 DDEA N#Cc1cc2c(cc1NC(=O)CSc1ncn[nH]1)OCO2 4744212 BLDGHABHPPATTF-UHFFFAOYSA-N 303.303 1.136 30 50 DDEA C#CCCC1(CCNC(=O)c2cnc3c(cnn3C)c2N)N=N1 2325893651 NUKWHTWHDSIUNP-UHFFFAOYSA-N 311.349 1.246 30 50 DDEA Cc1ccccc1CN1CCN(S(=O)(=O)CCCC#N)CC1 171979245 FWZCBSXJDDPKJG-UHFFFAOYSA-N 321.446 1.746 30 50 DDEA CC(O)=Nc1ccn([C@H]2CCN(Cc3cnn(C)c3C)C2)n1 328615274 ASSZVQGEQCHRGN-AWEZNQCLSA-N 302.382 1.980 30 50 DDEA CN1CC[C@@H](C/N=C(/O)c2nccnc2N)[C@@H]1c1cccnc1 328616160 BKHYHPYVORENQQ-JSGCOSHPSA-N 312.377 1.451 30 50 DDEA N#Cc1cccnc1N1CCC(NC(=O)c2cccc(=O)[nH]2)CC1 223648311 FMMIRYNQNDRNEK-UHFFFAOYSA-N 323.356 1.040 30 50 DDEA CN(C)c1cccc(NC(=S)N[C@H]2CC[S@@+](=O)(O)C2)c1 334159495 HSWZASKASCRGNU-NSHDSACASA-P 314.456 1.784 30 50 DDEA C#CCN1CCN(S(=O)(=O)C2=Cc3ccccc3OC2)CC1 195578833 ORNJUEZPGIQWDA-UHFFFAOYSA-N 318.398 1.001 30 50 DDEA CCC#CCN1CCCN(C(=O)CN2CCCC[C@@H]2C)CC1 1529174927 YMRXOHRIVWWQQJ-KRWDZBQOSA-N 305.466 1.809 30 50 DDEA COc1cccc(N/N=C2\C(=O)N(c3ccccc3)N=C2N)c1 5729844 FYRQDUGZLMZIAL-RGEXLXHISA-N 309.329 1.782 30 50 DDEA Cc1nnc(N2C[C@@H](F)C[C@H]2C/N=C(/O)NCc2ccco2)o1 328647225 TVGVRDWXSGEZNZ-QWRGUYRKSA-N 323.328 1.592 30 50 DDEA CNC(=O)C[C@]1(O)CCCN(c2nc(C)cc(C)c2C#N)C1 591621088 MBKUBRKDDNLOCL-MRXNPFEDSA-N 302.378 1.038 30 50 DDEA CO[C@@H]1C[C@H](CNc2cnccc2C#N)N(c2ccncn2)C1 952886894 GEDWRGFTWXKWSO-ZIAGYGMSSA-N 310.361 1.449 30 50 DDEA C#CCCC1(CCC(=O)NC(C)(C)CN2CCOCC2)N=N1 952881351 LOBXZYFLJINHNP-UHFFFAOYSA-N 306.410 1.569 30 50 DDEA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc(C#N)c(C)n2)C1 888077659 OAPCPMWAQHNPNA-OCCSQVGLSA-N 311.345 1.587 30 50 DDEA C[C@@H]1CN(/C(O)=N/Cc2cnc(N(C)C)n2C)C[C@H](C2CC2)O1 329992622 XTAQGOKHLPUIDZ-BXUZGUMPSA-N 321.425 1.399 30 50 DDEA CNC(=O)c1cc(O[C@@H]2CCN(c3ccncc3C#N)C2)ccn1 376479761 YTFLJOGPYVJIDL-CQSZACIVSA-N 323.356 1.366 30 50 DDEA C=CCn1c(SCc2nc(C)no2)nnc1C1CCNCC1 426566820 DLYHTDBXIXGTNS-UHFFFAOYSA-N 320.422 1.915 30 50 DDEA N#Cc1ncn(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1C#N 180414422 UWTJPJFIXCBXOT-UHFFFAOYSA-N 321.256 1.633 30 50 DDEA N#Cc1ccccc1C(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299764694 CLOQLHYVDJGSJC-LSDHHAIUSA-N 309.329 1.136 30 50 DDEA CCC#CCN1CCC[C@@H](CNC(=O)Cn2cc(C)cn2)C1 952977853 LFFNHXHKESHTEG-INIZCTEOSA-N 302.422 1.433 30 50 DDEA CCOc1cc(N2CCN(c3ccc(C#N)cn3)CC2)ncn1 185227817 NRTWCRVZAXLTIB-UHFFFAOYSA-N 310.361 1.469 30 50 DDEA Cc1ccc(CN2CC[C@H](NC(=O)CSCC#N)C2=O)cc1 192292880 WRCQHMUIZMOGQT-AWEZNQCLSA-N 317.414 1.469 30 50 DDEA N#Cc1nn(CC(=O)N2CCC[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] 585133103 SVGAEMMLCJPLMC-DGCLKSJQSA-N 317.349 1.844 30 50 DDEA COCCN1C(=O)[C@@H]2CC[C@H]1CN(c1cc(C#N)ccn1)C2 216820672 SRCIACRDOYNQFP-KGLIPLIRSA-N 300.362 1.027 30 50 DDEA CCOC(=O)ONC(=N)c1ccc(N2CCSCC2)nc1 1775984366 QXHWWPRDMFILQW-UHFFFAOYSA-N 310.379 1.638 30 50 DDEA C=CCNC(=O)Cn1cc(CCCOc2cccnc2F)nn1 863973892 TUFAXLBEAAETGG-UHFFFAOYSA-N 319.340 1.126 30 50 DDEA C#CCCC1(CCC(=O)N[C@H](C)CN2CCN(C)CC2)N=N1 952881176 KOGRONBGLZGKFV-CQSZACIVSA-N 305.426 1.094 30 50 DDEA CN1CC[C@@H](CN(C)C(=O)c2c[nH]nc2-c2ccc(C#N)cc2)C1 1875316045 RTMGKBFMXPUWGC-CQSZACIVSA-N 323.400 1.972 30 50 DDEA C=CCN(CC=C)C(=O)c1cc2n(n1)CCCN(C(C)=O)C2 65404621 ZBHBYJCIXLAGNG-UHFFFAOYSA-N 302.378 1.450 30 50 DDEA Cn1ccnc(N2CCC[C@H](/N=C(/O)Cc3ccoc3)C2)c1=O 328636257 NYZQWDAKIOYVQN-ZDUSSCGKSA-N 316.361 1.541 30 50 DDEA C/N=C(/O)[C@H]1CCCN(C(=O)C(C)(C)S(=O)(=O)C2CC2)C1 328848646 YKVLYAGXETZVAW-JTQLQIEISA-N 316.423 1.167 30 50 DDEA Cc1cc(C/C(O)=N/[C@H]2CCO[C@@H]2c2cnn(C)c2C)n[nH]1 330274766 KPWLIOJQXIDSFT-DZGCQCFKSA-N 303.366 1.789 30 50 DDEA N#Cc1ccc(OC2CN(C(=O)C[C@@H]3CCCC(=O)N3)C2)cc1 368136475 VKSSKDAPXULXAE-ZDUSSCGKSA-N 313.357 1.207 30 50 DDEA CC1(C)OB(c2ccc(C(=O)N3CCNCC3)cc2)OC1(C)C 169743776 OBWNKFAHYIGNHE-UHFFFAOYSA-N 316.210 1.031 30 50 DDEA in-vitro CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(C#N)c1 246970437 LVQAQTGYYNSELA-CABCVRRESA-N 319.430 1.806 30 50 DDEA Cc1ncoc1/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1nccn1C 329986700 SCGXUJLCHOYYEU-RYUDHWBXSA-N 321.356 1.634 30 50 DDEA Cc1nccc(N=C(O)N2CCN(CC(C)C)C(=O)[C@@H]2C)n1 330235096 GTDANZUCLTWYQM-NSHDSACASA-N 305.382 1.519 30 50 DDEA C[C@@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H](CC(=O)O)C1 261793200 UALLMASKBLCIHG-YPMHNXCESA-N 318.329 1.028 30 50 DDEA N#C[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CCN1C1CC1 370969238 QDMIANVOQHIVTD-OAHLLOKOSA-N 308.385 1.909 30 50 DDEA C=CCN1CC2(CCC1=O)CCN(C(=O)c1cnccn1)CC2 91708099 WSZIGHUTGXCCNN-UHFFFAOYSA-N 314.389 1.507 30 50 DDEA C#C[C@H](NC(=O)CCc1cnn(-c2ccccc2)c1)[C@H]1CCOC1 170600946 GEWWFUDNVOVBAE-WMZOPIPTSA-N 323.396 1.959 30 50 DDEA O=S1(=O)CCCCN1c1cccc(/N=C2/C=C(O)NC2)c1 1848443896 LKHCTTLCRLQDFI-VBKFSLOCSA-N 307.375 1.692 30 50 DDEA COC(=O)C(C)(C)C/N=C(/O)N[C@@H]1CCO[C@@H](C(C)C)C1 330637409 VQPUUBFVAYDQTL-VXGBXAGGSA-N 300.399 1.893 30 50 DDEA CCCCCCCNC(=O)c1ccn(Cc2nc(=O)o[nH]2)n1 2325821926 MVIIVKHBKAQCCR-UHFFFAOYSA-N 307.354 1.308 30 50 DDEA Cc1nc2c(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)ccnc2[nH]1 373907912 ZWZWVDMJSWXIGT-LBPRGKRZSA-N 310.361 1.079 30 50 DDEA N#Cc1cc2n(n1)CCN(S(=O)(=O)Cc1ccc(F)cc1)C2 826805658 NPNLCQVZDMAAIH-UHFFFAOYSA-N 320.349 1.239 30 50 DDEA CC(C)(C#N)NC(=O)c1csc(I)n1 585102519 ZHAJGFISZDNPQK-UHFFFAOYSA-N 321.143 1.780 30 50 DDEA Cc1ncc2c(c1C#N)CCN(C(=O)[C@@H]1CC3CCN1CC3)C2 1775979050 FBSOEJGYCASJDA-KRWDZBQOSA-N 310.401 1.631 30 50 DDEA COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCC(=O)O)cc1 18113760 NJKMDJJVFBMYSA-AWEZNQCLSA-N 319.313 1.454 30 50 DDEA biogenic N#C[C@@H](C(=O)NCc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 842342542 CYJWKUBMNWNODA-IJLUTSLNSA-N 321.720 1.330 30 50 DDEA C=CCOC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O 4899907 IHXJYHSRKKRBPX-JTQLQIEISA-N 316.354 1.657 30 50 DDEA biogenic CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1CN1CCCCC1 246231765 UAJBDOAPTJWWDD-FUHWJXTLSA-N 320.481 1.991 30 50 DDEA C#CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](N2CCCC2)C1 229593832 SMHYKYFBDQUIMX-SJORKVTESA-N 303.450 1.561 30 50 DDEA Cn1cnnc1[C@H]1CCCN1C(=O)CCc1ccc(C#N)cc1 120159331 OKQSDBZGMYFNQK-OAHLLOKOSA-N 309.373 1.983 30 50 DDEA N#Cc1ncccc1S(=O)(=O)N1CCC[C@H]1c1cccnc1 372996559 LMDATCBPWZPZLR-AWEZNQCLSA-N 314.370 1.874 30 50 DDEA C=CCN1C[C@@H](C(=O)Nc2ccc(O)c(OC)c2)CCC1=O 952961126 MKKOZKJDHWLADC-NSHDSACASA-N 304.346 1.764 30 50 DDEA C[C@H](C#N)CN(C)c1ncc([N+](=O)[O-])c(N(C)C[C@H](C)C#N)n1 585092632 HLNRMAYRLKWHKO-GHMZBOCLSA-N 317.353 1.577 30 50 DDEA C#CCCCC(=O)Nc1cc(S(C)(=O)=O)ccc1C(=O)OC 585086581 UEGPCCFMTJTJKT-UHFFFAOYSA-N 323.370 1.619 30 50 DDEA COCc1nc([C@H]2CN(c3cnccc3C#N)C[C@@H]2C2CC2)n[nH]1 952890928 NTQRSQHDGCAGRI-KGLIPLIRSA-N 324.388 1.848 30 50 DDEA C=C/C(O)=N/[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 328597933 JMBONVGYGQGELP-CYBMUJFWSA-N 317.393 1.425 30 50 DDEA N#Cc1ccc(CN2CCC[C@](O)(C(=O)N3CCCC3)C2)cc1 331728429 NRCAJQDBDLMLHU-GOSISDBHSA-N 313.401 1.508 30 50 DDEA CN1CCOc2ccc(C(=O)N3CCSC[C@@H]3C#N)cc21 376928514 BKXAZYQRRZTSHJ-LBPRGKRZSA-N 303.387 1.596 30 50 DDEA N#Cc1cc(Cl)ccc1CN1CCC[C@@](O)(c2cnn[nH]2)C1 583617997 SDOMOQJFUJQJNO-HNNXBMFYSA-N 317.780 1.813 30 50 DDEA C[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CCS(=O)(=O)C1 192070636 RPLXYPVGOFSNJK-GFCCVEGCSA-N 318.402 1.072 30 50 DDEA N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCCO2)CC1 153190231 WBGZKTRYCZAPEV-AWEZNQCLSA-N 300.362 1.171 30 50 DDEA N#CCC(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 408522313 HLELBIUEAKZCAU-SNVBAGLBSA-N 310.151 1.737 30 50 DDEA CC#CC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 801177699 CWJILPDWDQYNQH-UHFFFAOYSA-N 320.414 1.252 30 50 DDEA N#Cc1ccc(NC(=O)N2CCC[C@@H](Cn3ccnn3)C2)nc1 889229778 HCNHWNSHPVIHAX-CYBMUJFWSA-N 311.349 1.489 30 50 DDEA Cc1cc(N2CCN(CC(=O)NC(C)C)CC2)nc(C)c1C#N 2356165948 LODCXYUSCHJSQO-UHFFFAOYSA-N 315.421 1.217 30 50 DDEA C=CCNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 2958841 TWFUWWYJHCTETJ-UHFFFAOYSA-N 318.398 1.908 30 50 DDEA C#CCOc1ccccc1N=C(O)N1CCN2CCOC[C@H]2C1 328588875 RQBAZDSYPNUUOH-CQSZACIVSA-N 315.373 1.261 30 50 DDEA CC(C)[C@@H](O)CC(=O)N1CCC(C#N)(c2ccccn2)CC1 374391287 XFPKFDLSQRFHLL-AWEZNQCLSA-N 301.390 1.872 30 50 DDEA N#C[C@@H]1N(Cc2ncnn2CCF)CCC[C@]12CCCCO2 240333213 FCIQDYRSNRIQDJ-DZGCQCFKSA-N 307.373 1.675 30 50 DDEA C=CCc1cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)ccc1OC 534585420 HQRTZUOBKJTQJF-OLZOCXBDSA-N 305.330 1.084 30 50 DDEA CNC(=O)[C@@]1(C)CCCN(Cc2ccc(C#CCO)cc2)C1 670453130 KHFGTPPEMQPUDT-SFHVURJKSA-N 300.402 1.379 30 50 DDEA N#C[C@@H]1C(=O)Nc2[nH]c(N)nc(=O)c2[C@@H]1c1ccc(Cl)cc1 6667768 NFGHAKSXFCUBMH-DTWKUNHWSA-N 315.720 1.229 30 50 DDEA C#CCCC1(CCNC(=O)CCC(=O)Nc2nccs2)N=N1 2325890930 DINHFGWYSMQRKW-UHFFFAOYSA-N 319.390 1.944 30 50 DDEA C#Cc1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1 69498 QHVHTEPXJDDHKL-UHFFFAOYSA-N 304.305 1.903 30 50 DDEA CN(C)c1ccnc(N/C(O)=N/[C@@H]2CCO[C@@H](C3CC3)C2)n1 328587599 CUJKDFQVLJILLG-VXGBXAGGSA-N 305.382 1.826 30 50 DDEA C[C@H](Cn1cncn1)NC(=O)CC1=C(c2ccccc2)CCC1=O 827801475 JKKLLNMNWPIBPU-CYBMUJFWSA-N 324.384 1.990 30 50 DDEA N#C[C@@H](NC(=O)c1cccc(C(=O)N[C@@H](C#N)C2CC2)c1)C1CC1 161885471 RWRGYSDNRPAXAX-IYBDPMFKSA-N 322.368 1.751 30 50 DDEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])o1)[C@H]1C=C[C@H]2CC1 100175620 OEWFLNZAFXFIFF-BESYPLHISA-N 315.285 1.719 30 50 DDEA CCN(CC)c1ccc(/C=N/Nc2nnc(C)n2N)c(OC)c1 23279567 RGAVMRLFXDYPBR-LICLKQGHSA-N 317.397 1.601 30 50 DDEA C=CCC(O)(CC=C)[C@@H](C)Nc1nc2nonc2nc1N(C)C 12074764 LVKARYPRBWWWJB-SNVBAGLBSA-N 318.381 1.763 30 50 DDEA Cc1c([C@H]2OCC[C@@H]2N/C(O)=N/Cc2ccco2)cnn1C 328633626 SQVHUPLRIFAUIC-UONOGXRCSA-N 304.350 1.855 30 50 DDEA N#Cc1ccccc1OCCN1CCC[C@@H]1[C@H]1COCC[C@@H]1O 253623561 ZPRSUUZKVNFMIL-ZACQAIPSSA-N 316.401 1.799 30 50 DDEA Cc1cccnc1NC(=O)[C@H]1CCCN(c2cnc(C#N)cn2)C1 363713889 OAIVYZDYVYQGFE-ZDUSSCGKSA-N 322.372 1.907 30 50 DDEA CC(C)CN1C(=O)[C@]2(CCCNC2)NC1=NC(=O)OC(C)(C)C 328578318 HSHRFFFZTGESCG-MRXNPFEDSA-N 324.425 1.488 30 50 DDEA CC[C@H](C)NC(=O)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 584887045 SNUFSNKMBGVENL-NSHDSACASA-N 302.378 1.653 30 50 DDEA CCn1cc(C(=O)N=C2C[C@H](C)N(Cc3ccccc3)N2)nn1 1614999073 NUNMGPFTPOCQGV-LBPRGKRZSA-N 312.377 1.636 30 50 DDEA C#CCCC1(CCC(=O)N2CC[C@H](OC)C[C@@H]2C(=O)O)N=N1 1615000495 BAQFLVWATWJNSQ-NWDGAFQWSA-N 307.350 1.433 30 50 DDEA Cn1cc([C@H]2OCCC[C@@H]2/N=C(/O)Nc2ccnn2C)cn1 328617452 CUFWHMAAYMIPFT-WCQYABFASA-N 304.354 1.400 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H]2CC[C@H]3CC(=O)N[C@H]3C2)N=N1 1875382006 NHFUTIIVTNUFJJ-XQQFMLRXSA-N 302.378 1.373 30 50 DDEA N#Cc1c(F)cccc1C(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 887006575 VGJMZPFRYVZIDK-ZIAGYGMSSA-N 304.321 1.357 30 50 DDEA C#CCCC1(CCC(=O)N[C@H]2COC3(C(=O)OC)CC2C3)N=N1 2325898557 LFJKTMCTQPDAKB-AVERBVTBSA-N 319.361 1.179 30 50 DDEA CC[C@H]1S/C(=N/C(=O)COc2ccc(OC)cc2)NC1=O 6830065 WJVCTILUNXLIOA-LLVKDONJSA-N 308.359 1.598 30 50 DDEA N#Cc1cccc(OCCN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 284632310 BQXGLOOHIYRRFY-KSZLIROESA-N 316.401 1.799 30 50 DDEA C[C@H]1CN(c2c(F)cc(C#N)cc2F)CCN1S(C)(=O)=O 271816150 CBVCAOAFSUSBPZ-VIFPVBQESA-N 315.345 1.307 30 50 DDEA C[C@@H](C#N)CN(C)c1ncc([N+](=O)[O-])c(N(C)C[C@@H](C)C#N)n1 585092634 HLNRMAYRLKWHKO-QWRGUYRKSA-N 317.353 1.577 30 50 DDEA CN(CC(=O)O)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 261782402 JQFKYYDMDCQPKB-UHFFFAOYSA-N 322.264 1.282 30 50 DDEA C=C(C)CNCc1cccc(OC[C@H](O)CN2CCOCC2)c1 15061954 QSFLNPXMPKANIL-QGZVFWFLSA-N 320.433 1.424 30 50 DDEA C[C@@H]1CN(c2nccnc2C#N)CCN1CCc1ccncc1 155670801 LRAOCCXRSKQZRX-CQSZACIVSA-N 308.389 1.496 30 50 DDEA N#Cc1ccc(C(=O)NCC(=O)N[C@H](C#N)C2CCCCC2)cc1 164264045 IKNUFMPWWUWOEX-MRXNPFEDSA-N 324.384 1.877 30 50 DDEA CC#CC(=O)NCC[C@H]1CSCCN1C(=O)OC(C)(C)C 1875376787 IQKJLSBEBPDEGM-LBPRGKRZSA-N 312.435 1.869 30 50 DDEA C=CCn1c(S[C@H](C)CC)nc2c1c(=O)n(C)c(=O)n2C 287457 PUKZAEKDKXQKFO-SECBINFHSA-N 308.407 1.510 30 50 DDEA CCn1nccc1[C@@H]1OCC[C@H]1C(O)=Nc1ccc(=O)n(C)c1 328640141 XEZNNLOCNBPCND-IUODEOHRSA-N 316.361 1.968 30 50 DDEA Cc1nnc(N=C(O)C(C)(C)S(=O)(=O)C2CC2)n1C1CC1 329050788 KTZRUOUIEHPQGE-UHFFFAOYSA-N 312.395 1.865 30 50 DDEA COC[C@]1(O)CCN(C(=O)c2ccc(C#N)nc2)CC1(C)C 91746714 CNXLBIZOPOJVKU-MRXNPFEDSA-N 303.362 1.203 30 50 DDEA COC(=O)[C@H](CC#N)C[C@H](NC(=O)OC(C)(C)C)C(=O)OC 209085884 QVTOOWHELURIDU-ZJUUUORDSA-N 314.338 1.146 30 50 DDEA CC(C)c1nnc2n1C[C@H](/N=C(/O)N1CCC[C@H]1CCO)CC2 330266309 HNCXHXJHRXYRAR-OLZOCXBDSA-N 321.425 1.477 30 50 DDEA N#Cc1cnc(N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)cn1 343241032 HWSMZXTWHZBEPG-SMDDNHRTSA-N 302.284 1.939 30 50 DDEA CN(C)C(=O)C[C@@]1(O)CCCN(c2c(F)cc(C#N)cc2F)C1 591618408 PZOIXLXBOJCIJH-INIZCTEOSA-N 323.343 1.646 30 50 DDEA C[C@H](CC1CCN(S(=O)(=O)CC2(C#N)CC2)CC1)C(=O)O 594573316 LAJMYNCTOUOJIQ-LLVKDONJSA-N 314.407 1.443 30 50 DDEA C#CCCC1(CCC(=O)N(C)[C@@H]2CCN3CCO[C@H]2C3)N=N1 952882581 VTKHVMWJQQWKRL-KGLIPLIRSA-N 304.394 1.274 30 50 DDEA CC#CC(=O)NCc1ccc(N2C[C@H](C)CS2(=O)=O)cc1 1875363290 XGUFPPBKBBQHKV-LBPRGKRZSA-N 306.387 1.112 30 50 DDEA Cn1cnnc1SCC(=O)Nc1sc2c(c1C#N)CCC2 138247 VUMASJYMOOLHRQ-UHFFFAOYSA-N 319.415 1.968 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H]2CCCc3nnn(C)c32)N=N1 2325891579 PAJGNSUBXGQLHB-LLVKDONJSA-N 300.366 1.317 30 50 DDEA N#Cc1cccc(CN2CCC[C@](O)(C(=O)N3CCCC3)C2)c1 344784299 AIURLVBAGWYTRA-GOSISDBHSA-N 313.401 1.508 30 50 DDEA C#CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](N2CCCC2)C1 229593820 SMHYKYFBDQUIMX-IAGOWNOFSA-N 303.450 1.561 30 50 DDEA C=C(C)CNC(=O)NC1CCN(c2nccn(CC)c2=O)CC1 253432181 WNHUVURSPQAGDT-UHFFFAOYSA-N 319.409 1.107 30 50 DDEA N#Cc1ccccc1OCC(=O)N[C@H]1CCN(c2cccnc2)C1 370807328 BTAHYWIGRXGGGO-HNNXBMFYSA-N 322.368 1.727 30 50 DDEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)c2c[nH]c(=O)c(Cl)c2)C1 92097157 BPNQKGQOXDDGOE-OAHLLOKOSA-N 324.764 1.911 30 50 DDEA CCOC(=O)[C@@H]1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2O1 1772572682 YMRYNNPRFWYJMB-ZDUSSCGKSA-N 318.178 1.852 30 50 DDEA N#Cc1ccc(Cl)cc1NC(=S)NCCN1CCOCC1 19857123 BILGXIAKABNOHV-UHFFFAOYSA-N 324.837 1.830 30 50 DDEA C[C@@H]1OCC[C@@H]1/C(O)=N/[C@H]1CCCN(c2nccn(C)c2=O)C1 328628462 HHBCGNQOKAWGLS-AVGNSLFASA-N 320.393 1.131 30 50 DDEA Cc1nc2c(B3OC(C)(C)C(C)(C)O3)cccc2c(=O)n1C 1857781491 YNAMGUJCRAVOFG-UHFFFAOYSA-N 300.167 1.541 30 50 DDEA C#CCCC1(CCNC(=O)Cn2nnnc2-c2ccccc2)N=N1 2325887392 NEJIAYOWMASDGS-UHFFFAOYSA-N 323.360 1.422 30 50 DDEA C=CCn1c(CCc2ccccc2)nnc1SCC(N)=O 6741455 KLAXQKYEOSHEKW-UHFFFAOYSA-N 302.403 1.827 30 50 DDEA CCn1cc([C@@H]2NC(=O)CC[C@H]2Nc2ncccc2C#N)cn1 352900514 JMQBLKCCEZQGLK-HIFRSBDPSA-N 310.361 1.601 30 50 DDEA N#Cc1cccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 230113916 HUFWUUAIDRXDBY-HUUCEWRRSA-N 306.387 1.890 30 50 DDEA Cc1nc(N2C[C@@H](O)[C@H](Cc3cnccn3)C2)c(C#N)c(C)c1C 1704306908 XQNFFTLPNAELET-RHSMWYFYSA-N 323.400 1.708 30 50 DDEA CN1CC[C@@H]2CN(c3nc4c(cc3C#N)CCCC4)C[C@@H]2C1=O 1772806594 BRFGXTPWROWNLK-HIFRSBDPSA-N 310.401 1.747 30 50 DDEA CNC(=O)C[C@@]1(O)CCCN(c2ncc(C#N)cc2Cl)C1 591621665 NWLWBBVJRUQLLZ-AWEZNQCLSA-N 308.769 1.074 30 50 DDEA CO[C@@H]1CN(Cc2cn3ccccc3c2C#N)C[C@H]1c1cnn[nH]1 591650108 WCOFCMHOKPQMJY-WMLDXEAASA-N 322.372 1.543 30 50 DDEA COc1ccccc1N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 175077791 MNLBNIDCALJCQG-UHFFFAOYSA-N 310.357 1.857 30 50 DDEA C=CCN(CCC#N)S(=O)(=O)c1cccc(CC(=O)O)c1 593310998 QCBQJYXOTRLKJX-UHFFFAOYSA-N 308.359 1.404 30 50 DDEA CCn1cc(C(=O)N=C2C[C@@H](C)N(Cc3ccccc3)N2)nn1 1614999068 NUNMGPFTPOCQGV-GFCCVEGCSA-N 312.377 1.636 30 50 DDEA CCCc1nnc(/N=C(\O)C(=O)NCCN(CC)CC)s1 19894060 FNWCCJCZNDEQMH-UHFFFAOYSA-N 313.427 1.537 30 50 DDEA C=CCN(CCC(=O)O)C(=O)Cc1cc(F)cc2c1OCOC2 1875291765 KZFRGRPPKYUEGM-UHFFFAOYSA-N 323.320 1.724 30 50 DDEA CO[C@@H]1CN(c2ccc(F)cc2C#N)C[C@H]1c1cn(C)nn1 886079901 BSYDUUFMOLUHKG-SWLSCSKDSA-N 301.325 1.445 30 50 DDEA CC(C)(C)N1C[C@H](/C(O)=N/C[C@@H]2CC(=O)N(C3CC3)C2)CC1=O 329509790 MKBSKMUWCLVQEN-NWDGAFQWSA-N 321.421 1.601 30 50 DDEA N#Cc1cc(CN2CCC[C@@H]2c2nc(C(N)=O)no2)ccc1F 328649845 VGAWSSZJBZGIJB-GFCCVEGCSA-N 315.308 1.516 30 50 DDEA Cc1noc([C@@H]2CCN(/C(O)=N/[C@H](C)c3cn(C)nc3C)C2)n1 329117635 JBJXTAOYTOONQU-BXKDBHETSA-N 318.381 1.884 30 50 DDEA Cn1cc(C#N)cc1C(=O)N[C@H]1CCCN(Cc2cccnc2)C1 299773821 FZDRBSQXBWKBTQ-INIZCTEOSA-N 323.400 1.686 30 50 DDEA N#CC1(c2ccc(C(=O)N[C@H]3C[C@@H](O)[C@@H]3n3cccn3)cc2)CC1 597836395 MCOLCXQYYIOCAF-ARFHVFGLSA-N 322.368 1.543 30 50 DDEA CN1CCc2ncnc(N(C)C[C@H](O)c3cccc(C#N)c3)c2C1 1616029674 OGNNBCHGSDYOCY-KRWDZBQOSA-N 323.400 1.506 30 50 DDEA C=CCCS(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 246893465 FMTAWEHQEPABTG-INIZCTEOSA-N 319.430 1.602 30 50 DDEA C=CCNCc1ccc(OC[C@@H](O)CN2CCCC2)c(OC)c1 11956051 SKWVFKHXWDBMHJ-INIZCTEOSA-N 320.433 1.806 30 50 DDEA N#Cc1cc(Cl)ccc1N1CC[C@@](O)(Cn2ccnn2)C1 585788552 FKFPQCCTFQRGSL-AWEZNQCLSA-N 303.753 1.445 30 50 DDEA C[C@@H](NC[C@]1(CO)COC[C@@H](C)N1C)c1ccc(C#N)c(F)c1 1875399045 MOCJINTZCFKRNF-XNJGSVPQSA-N 321.396 1.430 30 50 DDEA Cn1cc(CN[C@@H]2CCN(C(=O)c3ccncc3)C2)cc1C#N 365321753 HSHFVFLSUIAECG-OAHLLOKOSA-N 309.373 1.296 30 50 DDEA N#Cc1cc(C(F)(F)F)ccc1N1C[C@H](F)C[C@H]1C(N)=O 284493400 GLVPJIFKNZTXCX-KOLCDFICSA-N 301.243 1.979 30 50 DDEA CN(C)S(=O)(=O)N(CC#N)Cc1cc(F)ccc1Cl 289822138 OWQPYHQDBCYQKM-UHFFFAOYSA-N 305.762 1.611 30 50 DDEA CC[C@@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)n1cccn1 91997895 YMAXPDQLCLZVDO-HNNXBMFYSA-N 324.388 1.450 30 50 DDEA CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(C#N)cc1)CC2 92022820 BESMOMXNHYMQNF-CABCVRRESA-N 300.358 1.560 30 50 DDEA CC1(C)OB(c2cnc(N3CCOCC3)c(C#N)c2)OC1(C)C 169746740 KMOMTJKORSQJNI-UHFFFAOYSA-N 315.182 1.089 30 50 DDEA in-vitro COCCN1C(=O)C(=O)/C(=C(\C)O)[C@H]1c1ccccc1OC 1772492236 DGFZJJXFKBSHSS-JWAFFJSPSA-N 305.330 1.626 30 50 DDEA C=CCOc1ccccc1CN1C[C@H]2COC[C@@H](C1)C(=O)N2C 1704315396 BWXNPXLFLDULCL-CVEARBPZSA-N 316.401 1.540 30 50 DDEA C=CCN(CC=C)C(=O)CN1CCC(Oc2ncccn2)CC1 65394107 XKFJIGMKLGNTOG-UHFFFAOYSA-N 316.405 1.520 30 50 DDEA N#C[C@H](C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccccn1 229942632 OXEJRFULCOMAIJ-UPJWGTAASA-N 311.341 1.433 30 50 DDEA N#Cc1ncccc1S(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 236423760 KIJDSTLJFYTZHN-STQMWFEESA-N 307.375 1.285 30 50 DDEA CN(C)[C@@H]1CN(c2ccc(Cl)c(C#N)n2)C[C@@H]1n1ccnn1 858757906 YSXUMQPAWOTJCY-OLZOCXBDSA-N 317.784 1.190 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@@H]3C(=O)N(C)C[C@@H]32)N=N1 952880549 GWHSICKTJOMOML-STQMWFEESA-N 302.378 1.421 30 50 DDEA Cc1ccc(=NCc2ccnc(N3CCO[C@H](C)C3)c2)[nH]c1C#N 1875261317 JDMDHXFPAKHTKT-CQSZACIVSA-N 323.400 1.916 30 50 DDEA C=CC[C@@H](C(=O)NC[C@H](O)[C@H]1COC(C)(C)O1)c1ccccc1 1775985223 SGEUMLJOIXIYFY-OWCLPIDISA-N 319.401 1.975 30 50 DDEA C#CCCC1(CCNC(=O)Cn2c(C)cc(C(=O)O)c2C)N=N1 2325900780 IXJFBNRYZVOPKL-UHFFFAOYSA-N 316.361 1.885 30 50 DDEA C=C(Br)CN1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC 248534657 GGQUHBQRLCMPGT-NXEZZACHSA-N 320.183 1.322 30 50 DDEA C[C@@H](C(=O)N(C)CC#N)N1CCN(c2ccc(F)cc2)CC1 117775395 KNGPBLCSGILNNC-ZDUSSCGKSA-N 304.369 1.318 30 50 DDEA C=CCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21 148838376 QLQDRWYZGWQIGX-UHFFFAOYSA-N 322.324 1.935 30 50 DDEA Cc1nc(N2CCO[C@@H](C(=O)N(C)C)C2)c(C#N)c(C)c1C 670457662 WPNJUQCEJFMVBD-CQSZACIVSA-N 302.378 1.172 30 50 DDEA CC1(C)OB(c2cncc(NS(=O)(=O)C3CC3)c2)OC1(C)C 169992451 DLRUMABQVKHQDX-UHFFFAOYSA-N 324.211 1.285 30 50 DDEA in-vitro CO[C@H]1C[C@@H](C(=N)O)N(CC(=O)N(C)C2(C#N)CCCCC2)C1 330537764 UACGRTNPYLIMLB-STQMWFEESA-N 322.409 1.296 30 50 DDEA N#Cc1c(N2CCCC2)nc(N)c2c(N)nc(N3CCCC3)cc12 3246073 SSWVPYMSHHEYAB-UHFFFAOYSA-N 323.404 1.866 30 50 DDEA CC(O)=Nc1ccn([C@@H]2CCN(C(=O)[C@H]3CC[C@H](C)O3)C2)n1 328611604 LZHOMLXREDVETF-CYZMBNFOSA-N 306.366 1.832 30 50 DDEA Cc1cc(N=C(O)CN(C)C[C@@H]2CCc3nccn3C2)on1 328643005 RGKHIKJZQMTLOA-LBPRGKRZSA-N 303.366 1.962 30 50 DDEA CC1(C)OB(c2cccc(S(=O)(=O)C3CC3)c2)OC1(C)C 169951756 MTZCPEPDXSCHPB-UHFFFAOYSA-N 308.208 1.922 30 50 DDEA in-vitro N/C(=N/OC(=O)Cc1ccccc1[N+](=O)[O-])c1cccnc1 18161848 ZNIFCGNLDPWOHO-UHFFFAOYSA-N 300.274 1.396 30 50 DDEA C#CCOC[C@@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 20707349 PRHGVERKFQWASL-INIZCTEOSA-N 322.836 1.781 30 50 DDEA Cc1nnc(N2C[C@@H](F)C[C@H]2C/N=C(/O)c2cscn2)o1 328621460 AMSWOGACUUJTRX-IUCAKERBSA-N 311.342 1.756 30 50 DDEA C[P+](c1cccs1)(N1CCOCC1)N1CCOCC1 5377699 MOFUAHKBCHRCQD-UHFFFAOYSA-N 301.372 1.515 30 50 DDEA N#Cc1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)cc1Cl 364594350 VIWVXJXDJLRULO-UWVGGRQHSA-N 318.757 1.305 30 50 DDEA N#Cc1cc(C(=O)N[C@]2(c3ncc[nH]3)CCOC2)ccc1F 886096537 LHQIOWVWCOAWDM-OAHLLOKOSA-N 300.293 1.466 30 50 DDEA C#CCCC1(CCC(=O)NCc2cnc(C(=O)OC)s2)N=N1 2325895331 YKEMXEQOSMHSEA-UHFFFAOYSA-N 320.374 1.902 30 50 DDEA CC(C)c1ccc(C#N)c(N2C[C@H]3COC[C@@H]2CN(C)C3)n1 2356144704 JJRKNVHEBRVHLW-ZFWWWQNUSA-N 300.406 1.843 30 50 DDEA C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O)nnc12 3311576 OAPZIJNQRWNEBZ-UHFFFAOYSA-N 316.342 1.407 30 50 DDEA O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc(O)cc1)[C@H]1C=C[C@H]2C12CC2 105209432 UYOIMTPNXQSFGD-LKBDPDMFSA-N 308.337 1.923 30 50 DDEA N#Cc1ccc(CN[C@H]2CCCC[C@H]2n2cc(CO)nn2)cc1 328607959 XTOCOLMREODSPI-DLBZAZTESA-N 311.389 1.916 30 50 DDEA CN1C(=O)CCc2cc(CN3CCN(C4CC4)[C@H](C#N)C3)ccc21 364323122 IDEVYCPZIYVCTG-QGZVFWFLSA-N 324.428 1.768 30 50 DDEA COc1cc(C(=O)N2CCC[C@](C)(C#N)C2)ccc1OCCN 426369398 TXOZWAWLFSNGTQ-QGZVFWFLSA-N 317.389 1.799 30 50 DDEA C=CCN1C[C@@H](C)N(C(=O)CCCN2CCCCC2=O)C[C@H]1C 952961183 UQGBNBVURLGXHJ-HZPDHXFCSA-N 321.465 1.886 30 50 DDEA N#Cc1cc(-c2ccccc2)sc1NC(=O)Cn1cnnn1 194101656 ATEXODKMVGNSIZ-UHFFFAOYSA-N 310.342 1.912 30 50 DDEA C#C[C@H](NC(=O)c1ccc(N2CCCC2)nn1)C1CCOCC1 583651888 UUVYRRORRMLITI-AWEZNQCLSA-N 314.389 1.235 30 50 DDEA CCN1CCN(/C(O)=N/CCn2cccc2)C[C@@H]1c1ncc[nH]1 328625274 KOTOZIIZMZUTQV-CQSZACIVSA-N 316.409 1.504 30 50 DDEA C=CC[C@@H](NS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)O 159599505 XTQPEJGOHDMISE-SNVBAGLBSA-N 303.311 1.142 30 50 DDEA C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 6430540 FEHGVNBBQHALOS-UHFFFAOYSA-N 308.403 1.777 30 50 DDEA C#CCNC(=O)CNC(=O)Cc1cccc(Br)c1C 225628319 TUGFMTWUIDYMFI-UHFFFAOYSA-N 323.190 1.166 30 50 DDEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)c2cnns2)C1 328652644 WOFYQKLUSOIYKS-UHFFFAOYSA-N 310.379 1.170 30 50 DDEA CC(O)=Nc1ccn([C@@H]2CCN(C(=O)c3cccn3C)C2)n1 328610732 IZRGXYXHGYYIDJ-GFCCVEGCSA-N 301.350 1.917 30 50 DDEA CC(C)N1C(=O)N[C@]2(CCN(c3ccc(C#N)cc3F)C2)C1=O 378247524 DUIIVQOUPKCVDC-INIZCTEOSA-N 316.336 1.606 30 50 DDEA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1cc(C#N)c[nH]1 426380641 OMNCHBHMUFUIMA-CYBMUJFWSA-N 314.389 1.749 30 50 DDEA C#CCn1cc(CNC(=O)[C@](C)(OC)c2ccccc2F)cn1 408517510 JVAZSQPLHCXGNF-QGZVFWFLSA-N 315.348 1.833 30 50 DDEA Cc1cc(C[C@@H]2CN(Cc3cc(C#N)n(C)c3C)C[C@H]2O)n[nH]1 1529192641 ZOWLFLQNDDKYMB-RHSMWYFYSA-N 313.405 1.272 30 50 DDEA C=CCOC(=O)C1=CN(Cc2ccccc2)S(=O)(=O)N=C1C 169755161 KMHMNYRORSXERX-UHFFFAOYSA-N 320.370 1.821 30 50 DDEA CN(C(=O)C1CCN(c2ccc(C#N)cn2)CC1)C1CSC1 1875272566 HYTFYAJKICJWSB-UHFFFAOYSA-N 316.430 1.743 30 50 DDEA CCS(=O)(=O)N1CC[C@@H](CB2OC(C)(C)C(C)(C)O2)C1 1875370608 VPORILBDVCXHCN-NSHDSACASA-N 303.233 1.750 30 50 DDEA CC(=O)N[C@@H](C(=O)NCc1ccnc(C#N)c1)c1ccccc1 2325851172 RCNKTVHWKNVKMG-MRXNPFEDSA-N 308.341 1.447 30 50 DDEA C=C(C)Cn1c(S[C@H](C)C(C)=O)nc2c1c(=O)[nH]c(=O)n2C 266844 WWDBCBOCHNZIHQ-SECBINFHSA-N 322.390 1.069 30 50 DDEA CC(=O)N[C@H]1Cc2ccccc2N(C(=O)c2ccc(C#N)nc2)C1 370920722 SDTMZMSDEAIHII-INIZCTEOSA-N 320.352 1.661 30 50 DDEA CCO[C@@H]1C[C@@H](/N=C(\NC)NCc2ccco2)C12CCOCC2 184595920 SEIMLVITTNPLPJ-HUUCEWRRSA-N 321.421 1.919 30 50 DDEA N#Cc1ccc(N2CCN(CCn3cncn3)CC2)c(Cl)c1 277710788 IMNHAVCXCQZEGE-UHFFFAOYSA-N 316.796 1.625 30 50 DDEA C#CC(C)(C)N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 170616363 JTEICZYRDFNAMX-UHFFFAOYSA-N 315.416 1.122 30 50 DDEA CC[C@@H]1CC[C@H](C(=O)NS(=O)(=O)CC2(C#N)CCC2)O1 771081070 UERRGOBLZUGUJN-GHMZBOCLSA-N 300.380 1.084 30 50 DDEA O=C(C#CC1CC1)N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 818499191 MGUSAWVXECJBIL-QGZVFWFLSA-N 315.373 1.256 30 50 DDEA C#CCCC1(CCC(=O)N2CCO[C@H](Cn3cccn3)C2)N=N1 952881742 PRXKGHLSTUSJCE-AWEZNQCLSA-N 315.377 1.466 30 50 DDEA Cn1cncc1[C@@H]1CN(c2cccc(Cl)c2C#N)C[C@H]1N 1875392026 UPRZDTWDUKVFKS-DGCLKSJQSA-N 301.781 1.876 30 50 DDEA C#CCCC1(CCNC(=O)c2ccnnc2NC(C)C)N=N1 2325891487 KHNYXEKIJOLDFU-UHFFFAOYSA-N 300.366 1.992 30 50 DDEA N#Cc1ccc(-c2cnc3c(N4CC[C@@H](O)C4)nccn23)cc1 2356144742 KORVCUMBMZJQRK-CQSZACIVSA-N 305.341 1.839 30 50 DDEA Cc1ccc(O)c(CN2CCN(c3ncccc3C#N)CC2)n1 65461566 CEGMFFBWCADDRP-UHFFFAOYSA-N 309.373 1.685 30 50 DDEA CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2[nH]nnc2c1 170008490 TZXDIBJOKMNRAF-UHFFFAOYSA-N 317.154 1.434 30 50 DDEA C[C@@H](C(=O)OC(C)(C)C)N1CCN(c2ncccc2C#N)CC1 154139585 IMOQXKXSIBLDBJ-ZDUSSCGKSA-N 316.405 1.805 30 50 DDEA N#Cc1ccsc1N1CC[C@H](N[C@@H]2CCO[C@@H]2C2CC2)C1=O 333686379 AKZMJQRQPWHLSZ-HZSPNIEDSA-N 317.414 1.882 30 50 DDEA CC(C)c1ccc(C#N)c(N2CCO[C@@H](C(=O)N(C)C)C2)n1 670457863 DRHKYKFONLYHPY-CQSZACIVSA-N 302.378 1.370 30 50 DDEA N#Cc1ccc2c(c1)N(C(=O)COC[C@H]1CCCO1)CC(=O)N2 585087163 JPGOYVDPTPCEIB-GFCCVEGCSA-N 315.329 1.039 30 50 DDEA N#Cc1ccc(S(=O)(=O)N2CC[C@@H](O)C[C@@H]2C2CC2)cc1 1772814428 YOYMFWYFZSVRDL-UKRRQHHQSA-N 306.387 1.482 30 50 DDEA N#Cc1cccc(OCc2cn(C[C@@]3(O)CCCOC3)nn2)c1 603258210 GIQVOORBTOEHQN-INIZCTEOSA-N 314.345 1.270 30 50 DDEA COc1ccc(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1C#N 367534432 VNIBPUJEZPLITE-SWLSCSKDSA-N 306.387 1.186 30 50 DDEA CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)[C@@H]2CO2)CC1 1875373378 ZMSNEIBNMXMJTN-KGLIPLIRSA-N 310.394 1.635 30 50 DDEA Cc1nccn1C[C@H](C)C/N=C(/O)N[C@@H]1CCO[C@H]1C1CC1 328816251 CUDHKFJNQBGECS-DFBGVHRSSA-N 306.410 1.899 30 50 DDEA CN(C/C(O)=N/[C@@H]1CCS(=O)(=O)C1)[C@H]1C=CCCCCC1 328875071 ZHNLMPYQAJZZCT-KGLIPLIRSA-N 314.451 1.951 30 50 DDEA Cc1[nH]nc(NC(=O)[C@H](C)Cn2ncc3ccccc32)c1C#N 357236201 YMFRCFPMHKWSNF-SNVBAGLBSA-N 308.345 2.214 30 50 DDEA 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(O)cc1O 239203253 SARFGFVEVQWMID-OBPPPDSMSA-N 324.336 1.485 30 50 DDEA CCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=Nn1cnnc1 252427917 KEMXKYBGSBGSHF-DICXTUCDSA-N 315.358 1.739 30 50 DDEA C#CCN(C)S(=O)(=O)c1cc(C(=O)OC)ccc1Cl 170613234 ZTJSBOJACDWJRB-UHFFFAOYSA-N 301.751 1.380 30 50 DDEA C#CCN(C(=O)Cc1nnc(-c2ccccc2OC)o1)C1CC1 585117876 QJANNNSYCLFVQO-UHFFFAOYSA-N 311.341 1.912 30 50 DDEA C=C(C)Cn1c(N2CCC[C@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 527407 FKKMTCWMVZSZOX-NSHDSACASA-N 317.393 1.236 30 50 DDEA Cc1cc(C#N)cc(NS(=O)(=O)c2cnn(C(C)C)c2)n1 585128396 ADWLIFNWLVPSSX-UHFFFAOYSA-N 305.363 1.840 30 50 DDEA CC1(C)CNC(=O)[C@H]1NCc1ccc(C#Cc2cn[nH]c2)cc1 952878049 XZMRYTZXKGYMCP-MRXNPFEDSA-N 308.385 1.424 30 50 DDEA C=C[C@](C)(O)C(=O)N1CC(C)(c2nnc(-c3cccnc3)o2)C1 952893469 UFMZCZVNRZTYRK-INIZCTEOSA-N 314.345 1.169 30 50 DDEA N#C[C@@H]1CN(c2ncncc2Br)CCN1C1CC1 366293863 AEXJRHCNTGNIJI-SNVBAGLBSA-N 308.183 1.416 30 50 DDEA COc1cc(C#CC(C)(C)O)c(OC)cc1C#CC(C)(C)O 1232572 LKKXELRFFFVUNO-UHFFFAOYSA-N 302.370 1.949 30 50 DDEA CN(C(=O)CN1CC(F)(F)C[C@H]1CO)C1(C#N)CCCCC1 368797146 MCBCWRSBSIJSRP-LBPRGKRZSA-N 315.364 1.373 30 50 DDEA N#Cc1cnc(NC[C@@H]2CCN(C(=O)Cc3ccccc3)C2)cn1 373475181 JZUYWCWHJUHVAP-HNNXBMFYSA-N 321.384 1.851 30 50 DDEA N#CC1(c2ccccc2)CCN(C(=O)c2cncc(=O)[nH]2)CC1 426411574 VSRUEAATUVBNRU-UHFFFAOYSA-N 308.341 1.467 30 50 DDEA C=C(C)C[C@@H](C)C(=O)N(C)CCn1cnc2c(N)ncnc21 585127680 HEIDOKDADCCACZ-LLVKDONJSA-N 302.382 1.469 30 50 DDEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc3c(c1)OCO3)[C@H]1C=C[C@H]2C1 100722351 PJMJPIBHOLSXEM-FOXQJRKKSA-N 310.309 1.556 30 50 DDEA CCn1cnnc1[C@H]1CN(C(O)=Nc2cncc(C)c2)CCO1 328639248 WULCVRGQBFPREM-CYBMUJFWSA-N 316.365 1.620 30 50 DDEA CCn1cc([C@H]2OCC[C@@H]2/C(O)=N/C2CN(C(C)=O)C2)cn1 328631837 RKCXOMBIXAPXDT-UONOGXRCSA-N 306.366 1.168 30 50 DDEA Nc1nnc(CC/N=C(/O)[C@@H]2CCCN(CC(F)(F)F)C2)o1 329099313 MFJWBHLEYAYYPM-MRVPVSSYSA-N 321.303 1.425 30 50 DDEA Cc1cc(C#N)nc(N[C@@H]2CCCN(c3cccnc3)C2=O)n1 376421702 QORDBEGDIKZVBB-CQSZACIVSA-N 308.345 1.659 30 50 DDEA C=CC[C@@]1(C(=O)O)CCCN(Cc2cn(CCO)nc2C)C1 91255861 CNNJPZUTWQBTLT-MRXNPFEDSA-N 307.394 1.427 30 50 DDEA Cc1cccc(S(=O)(=O)NCC[C@H]2CCCNC2)c1C#N 195555234 TUKALUXKTMKVJD-CYBMUJFWSA-N 307.419 1.535 30 50 DDEA N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)CCc1nc[nH]n1 774318411 FJAWQCGUEBRYCG-LLVKDONJSA-N 306.272 1.694 30 50 DDEA Cc1ccc(S(=O)(=O)N/N=C2/C(=O)Nc3ccccc32)cc1 13130177 QZUADMFOBRQYDP-UHFFFAOYSA-N 315.354 1.630 30 50 DDEA C[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)C(C)(C)O)CC1 241965609 UUIHGAPTDJHLCT-ZDUSSCGKSA-N 301.390 1.534 30 50 DDEA C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CC(C)(C)[C@@H]1C(=O)O 1875286102 FUQRVRQSYPVYNW-MFKMUULPSA-N 302.330 1.647 30 50 DDEA CCc1cnc(C)nc1N1CCN(c2nccnc2C#N)CC1 65397914 MUZUKWVXYRTENA-UHFFFAOYSA-N 309.377 1.336 30 50 DDEA C[C@@](C#N)(NC(=O)CN1CCC[C@@H](c2ccn[nH]2)C1)C1CC1 229219928 KULQCUQASSTBJL-WBMJQRKESA-N 301.394 1.398 30 50 DDEA CCCN(C)C/C(O)=N/[C@H]1CCCC[C@H]1n1cc(CO)nn1 328607720 WTVQSOGGSNMSSM-UONOGXRCSA-N 309.414 1.552 30 50 DDEA CC(=O)N(C[C@H]1CCCN1/C(O)=N/C1CCOCC1)C1CC1 328651570 VZWJMZSUIUQBMO-OAHLLOKOSA-N 309.410 1.555 30 50 DDEA Cc1nccnc1N1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 374137886 KNSDCXJCYFYRQB-UHFFFAOYSA-N 324.344 1.892 30 50 DDEA C=CCN1C[C@H](C(=O)N(CCOC)Cc2cccnc2)CC1=O 952865260 QJJYYTXLNAQFNW-OAHLLOKOSA-N 317.389 1.091 30 50 DDEA C[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 191582853 RUCOQGUJIZXTPS-DZGCQCFKSA-N 314.389 1.417 30 50 DDEA CC#CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 1875377382 ZBGLLXAQRPLNCK-GFCCVEGCSA-N 310.394 1.540 30 50 DDEA C#CCCC1(CCNC(=O)c2nn(C)c3ccccc3c2=O)N=N1 2325891190 WUMKQDIDBIMYRY-UHFFFAOYSA-N 323.356 1.629 30 50 DDEA N#Cc1cccc(CS(=O)(=O)N2CCN3CCC[C@H]3C2)c1 247555659 QSENZZLAWKFPNR-HNNXBMFYSA-N 305.403 1.168 30 50 DDEA Cn1cnnc1[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CCO1 328627491 GHHUQXRGORNCJR-AWEZNQCLSA-N 301.325 1.399 30 50 DDEA CN1C(=C2C(=N)N3CSC[C@H]3C2=O)N(C)c2ccccc21 334157816 QKPYTEYSQMQZFG-NSHDSACASA-N 300.387 1.719 30 50 DDEA C[C@@H]1CN(c2ccc(Br)cc2C#N)C[C@H]1C(N)=O 284540476 GTRBBKUNSFUBOV-LDYMZIIASA-N 308.179 1.878 30 50 DDEA CC(C)(O)C#Cc1ccc(CN2CCN3C(=O)OC[C@@H]3C2)s1 828322830 JYYYWLAZMSAHRR-LBPRGKRZSA-N 320.414 1.507 30 50 DDEA CN(C)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 169835865 YFEWVSRTWWHXFP-UHFFFAOYSA-N 311.212 1.236 30 50 DDEA in-vitro O=C1C=C2C[C@]3(O)COc4c(ccc(O)c4O)C3=C2C=C1O 18190318 HLUCICHZHWJHLL-INIZCTEOSA-N 300.266 1.330 30 50 DDEA aggregator,biogenic,in-vitro CCN1CCN(C(O)=Nc2cnn(C)c2)C[C@H]1c1nccn1C 328629396 OVKBQDXYCWFIME-ZDUSSCGKSA-N 317.397 1.078 30 50 DDEA OCc1cn([C@@H]2CCCC[C@@H]2NC/C(O)=N/CC2CCC2)nn1 328605780 PCDSHHJNUWVYHV-LSDHHAIUSA-N 321.425 1.600 30 50 DDEA C=C(CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C(=O)O 2325851721 HCGYOLLZPKUXEJ-UHFFFAOYSA-N 321.352 1.023 30 50 DDEA C#CCCC1(CCNC(=O)c2cc3c(nc2O)CCOC3)N=N1 2325887347 IMFCFVBQJMYVRD-UHFFFAOYSA-N 314.345 1.555 30 50 DDEA CC1(C)CC(=O)C2=C(C1)O[C@@]1(O)c3ccccc3C(=O)[C@]21O 518712 XTAJCEXGQZCDRE-SJORKVTESA-N 300.310 1.433 30 50 DDEA biogenic N#Cc1ccc(C(=O)N[C@H]2CCN(c3ncccc3F)C2)cn1 153098555 ITDXLPHAZMQLKR-ZDUSSCGKSA-N 311.320 1.496 30 50 DDEA CC(=O)N[C@H](C(=O)Nc1cc(C)n(CCC#N)n1)C1CCCC1 271179771 ZQZMUZNMGLYQIE-HNNXBMFYSA-N 317.393 1.739 30 50 DDEA Cc1ccnc(N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)n1 253392250 QNCLGFHVQAGNDT-YVEFUNNKSA-N 305.341 1.635 30 50 DDEA CC#CCN(C)S(=O)(=O)c1c(C)cc(C)c(CC(=O)O)c1C 871969636 OGOGGPQUZOKOKZ-UHFFFAOYSA-N 323.414 1.883 30 50 DDEA COc1cn(C)nc1[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 952995321 IQKCMUVRRIJLAP-SNVBAGLBSA-N 320.374 1.340 30 50 DDEA C[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC12CCCCC2 1875275845 ZCKYDTHLIVBKQW-GFCCVEGCSA-N 316.405 1.742 30 50 DDEA CC#CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 1875377383 ZBGLLXAQRPLNCK-LBPRGKRZSA-N 310.394 1.540 30 50 DDEA N#Cc1ccc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)cc1 247633176 CBVHISXMKCDCJY-AWEZNQCLSA-N 305.403 1.417 30 50 DDEA C=C(CNC(=O)N[C@H](CO)CC1OCCO1)c1ccccc1 1615054892 CAIZCQZSVJXIDD-AWEZNQCLSA-N 306.362 1.123 30 50 DDEA C=C(C)CNC[C@@]1(O)CCCN(Cc2ccccc2F)C1=O 12298138 KJMDPGOTDQFNGU-KRWDZBQOSA-N 306.381 1.845 30 50 DDEA N#Cc1ccc(OC[C@@H](O)CN2CCOCC3(CCC3)C2)cc1 368117388 AYLFWSWSNVXLCH-INIZCTEOSA-N 316.401 1.800 30 50 DDEA COC(=O)/C=C/CCNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 1875311558 FCQVAXZQSUWYTM-OGOUPESXSA-N 302.330 1.561 30 50 DDEA Cc1ccc([C@H]2OC(=O)c3c(N)nc(NCCO)c(C#N)c32)cc1 1775938131 KOKCQQHLAVVSCO-CQSZACIVSA-N 324.340 1.508 30 50 DDEA C#CCCC1(CCC(=O)N2CCN(C[C@@H]3CCCO3)CC2)N=N1 2325891900 APGLAIAKTGLDLZ-HNNXBMFYSA-N 318.421 1.665 30 50 DDEA CCNC(=O)C[C@@H]1S/C(=N\N=C\c2ccc(C)o2)NC1=O 6499472 RWVBYLVJFXBJTR-XVBMGZJVSA-N 308.363 1.036 30 50 DDEA COc1ccc(CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1C#N 284788810 YWHJDTKNDZISKX-BBWFWOEESA-N 316.401 1.929 30 50 DDEA N#Cc1cccc(Cl)c1N1CCC[C@@](O)(Cn2ccnn2)C1 284770349 POMPCZDONHEHMI-HNNXBMFYSA-N 317.780 1.835 30 50 DDEA COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c([N+](=O)[O-])c1 169903586 WRGJIRHQRSVMFP-UHFFFAOYSA-N 307.111 1.681 30 50 DDEA in-vitro CC#CCNC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 585114150 NTHNIHYHOHATEN-ZDUSSCGKSA-N 322.405 1.542 30 50 DDEA COC(=O)C(C(=O)OC)c1cc(Br)ccc1C#N 1772575861 XXODSEMMNUNCQL-UHFFFAOYSA-N 312.119 1.750 30 50 DDEA C[C@]1(C#N)CCCN(C[C@@H](O)CN2CCC[C@@](C)(C#N)C2)C1 408514947 GRGAIWNZIUNIHM-OSYLJGHBSA-N 304.438 1.599 30 50 DDEA CNC(=O)[C@]1(COC)CCCN1Cc1ccc(C#N)cc1OC 591645844 BWBMFBLKOMZRFJ-QGZVFWFLSA-N 317.389 1.294 30 50 DDEA O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)[C@@H]1CO1 1875372552 IAQXZUNOEZPWIB-NSHDSACASA-N 315.295 1.584 30 50 DDEA CCO[C@@H]1C[C@@H](NC(=O)C#CC2CCOCC2)C12CCOCC2 888094983 HZSLBIILMVSLCP-HZPDHXFCSA-N 321.417 1.507 30 50 DDEA C=C(Cl)COC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 225664054 FHNLKSHAEGAAJP-OAHLLOKOSA-N 309.749 1.689 30 50 DDEA CN1CCC(=NNS(=O)(=O)c2ccc(Cl)cc2)CC1 51522191 RYGYQAGXOTYTTK-UHFFFAOYSA-N 301.799 1.700 30 50 DDEA COc1cc(OC)c2ncc(C#N)c(N3CC(N(C)C)C3)c2c1 252483422 FBJCHZPFIKFCKN-UHFFFAOYSA-N 312.373 1.874 30 50 DDEA CN1CC[C@@H]2OCCN(C(=O)c3c(F)cc(C#N)cc3F)[C@@H]2C1 285066627 CLFWFZFLJAIKNG-KGLIPLIRSA-N 321.327 1.382 30 50 DDEA COc1ccccc1CN1C(=S)N[C@@H]2C[S@@+](=O)(O)C[C@@H]21 334159377 MOUXGKYDTSZYIA-MNOVXSKESA-P 313.424 1.109 30 50 DDEA COc1ccc2c(c1OC)=CN1CCC3=CC(=O)C(O)=CC3=C1C=2 367610589 HVTCKKMWZDDWOY-UHFFFAOYSA-N 323.348 1.147 30 50 DDEA biogenic,in-vitro C[C@H](C(=O)NC1CCCCC1)N1CCCn2nc(C#N)cc2C1 670471935 HOWJQMRSYTUABO-CYBMUJFWSA-N 315.421 1.798 30 50 DDEA COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2cc(C#N)c[nH]2)cn1 275411062 OFEUWZSUKDAQSV-SWLSCSKDSA-N 312.329 1.550 30 50 DDEA Cc1nc(Cl)c(=N/N=C/c2c(CO)cnc(C)c2O)[nH]c1C 1875254457 KOMDUHIGDSFLFA-YAXRCOADSA-N 321.768 1.516 30 50 DDEA O=C(N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)[C@@H]1CO1 1875372217 ADNTZNRTBAUHLU-KOLCDFICSA-N 314.263 1.022 30 50 DDEA CO[C@@H]1CN(c2nc3c(cc2C#N)CCC3)C[C@H]1c1cn(C)nn1 886079882 AQBZELRTJYILIG-XJKSGUPXSA-N 324.388 1.189 30 50 DDEA C=CCn1c(N)cc(=O)nc1SCC(=O)N1CCCCC1 620134 LAMFLIXHRAUZMW-UHFFFAOYSA-N 308.407 1.116 30 50 DDEA C=CCN1C(=S)N(c2cccc(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 4116906 IPVQXIBRDKMCSV-UONOGXRCSA-N 322.455 1.754 30 50 DDEA C=CCn1c(=O)c2c(nc3n(CCCC)c(C)cn23)n(C)c1=O 4250987 MGHZIQIITGZVFJ-UHFFFAOYSA-N 315.377 1.444 30 50 DDEA Cc1nc([N+](=O)[O-])c(C(=O)OCc2ccc(C#N)cc2)n1C 1425528 LORJAYIYXWOUEZ-UHFFFAOYSA-N 300.274 1.865 30 50 DDEA O=[S@@+]1(O)C[C@@H]2[C@H](C1)NC(=S)N2c1cccc(Cl)c1 334157911 AQSOUMHJVPOWBF-VHSXEESVSA-P 303.816 1.758 30 50 DDEA CCc1nnc(N2CC[C@@](O)(C(F)(F)F)C2)c(C#N)c1CC 170032880 BYIXAJVHMLEMSX-ZDUSSCGKSA-N 314.311 1.977 30 50 DDEA CN(C[C@@H]1CCc2nccn2C1)S(=O)(=O)CC1(C#N)CC1 328629564 OZDFWLVXRGOCKH-LBPRGKRZSA-N 308.407 1.011 30 50 DDEA Cc1cc(NCCNC(=O)c2c(F)cc(C#N)cc2F)n(C)n1 577560519 SHIAIAXVBPQYPK-UHFFFAOYSA-N 319.315 1.720 30 50 DDEA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3ccc(C#N)n3C)C2)o1 952890516 BKPMIQPFOQWMDR-NEPJUHHUSA-N 313.361 1.729 30 50 DDEA CCOC(=O)c1nc(CCNc2ccc(C#N)nn2)sc1C 1775994468 PYKXUVNWFFGZKO-UHFFFAOYSA-N 317.374 1.945 30 50 DDEA N#Cc1cc(C[C@@H]2CCN(C(=O)[C@H]3C[C@H](N)C3)C2)ccc1F 2325792410 ZDEPRZDYLAEQKN-YDHLFZDLSA-N 301.365 1.826 30 50 DDEA C#CCCC1(CCNC(=O)[C@H]2CCc3nnc(O)cc3C2)N=N1 2325887421 PWNKKQWRZGUFSA-NSHDSACASA-N 313.361 1.369 30 50 DDEA CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C#N)CC1 6746457 OYQZUCUPTUZHDQ-UHFFFAOYSA-N 321.402 1.558 30 50 DDEA CCCCNC(=S)N/C=C1\C(=O)Nc2ccccc2C1=O 102299657 UFGKIHGPLLFQNH-LUAWRHEFSA-N 303.387 1.970 30 50 DDEA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2ccc(C#N)cc2)C1 284684719 YJVRHONKFGIFST-IRXDYDNUSA-N 313.401 1.770 30 50 DDEA Cc1noc([C@@H]2CC[C@H](CNCc3cc(C#N)n(C)c3C)O2)n1 583616104 LFBAXHJYERKCDX-CABCVRRESA-N 315.377 1.907 30 50 DDEA C=CCn1c(NCCCCCC)nc2c1c(=O)[nH]c(=O)n2C 12419738 BYYHULIUWHJYLM-UHFFFAOYSA-N 305.382 1.602 30 50 DDEA CC1(C)OB(c2ccc(S(C)(=O)=O)cc2F)OC1(C)C 204002795 NCPFIZKMEKKGMJ-UHFFFAOYSA-N 300.160 1.528 30 50 DDEA CCc1noc(C)c1N=C(O)N1C[C@H](C)O[C@@]2(CCOC2)C1 328587781 HXOYIAOMQFYZNN-BONVTDFDSA-N 309.366 1.971 30 50 DDEA CN(C)[C@@H]1CN(c2nccc(C#N)c2Cl)C[C@@H]1n1ccnn1 888094333 KPWRDITZALMDRR-NEPJUHHUSA-N 317.784 1.190 30 50 DDEA O=C(c1cccc(C#CCO)c1)N1CC[C@H](c2cc(O)n[nH]2)C1 911847505 HRFDTZZAMVNHCD-AWEZNQCLSA-N 311.341 1.089 30 50 DDEA N#Cc1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc2c1CCC2 52548 HDRGQGHOWLJNLD-UHFFFAOYSA-N 317.330 1.852 30 50 DDEA Cc1ccc(C#N)c(N2CCC3(CC2)C[C@](C)(O)[C@@H](O)CO3)n1 2356133749 BAWFUASYWLRMOZ-HOCLYGCPSA-N 317.389 1.133 30 50 DDEA COC[C@@H]1C[C@@H](OC)CN1C(=O)CCc1ccc(C#N)cc1 344658568 ITKNQEUAJANNDO-JKSUJKDBSA-N 302.374 1.753 30 50 DDEA Cc1nn(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(=O)c(C#N)c1C 230039124 ICLHGTKHMCXCAQ-UEKVPHQBSA-N 316.405 1.673 30 50 DDEA Cc1cc(N=C(O)[C@H]2CCO[C@@H]2c2cnn(C)c2)cn(C)c1=O 328630241 PQKBUJZZSZUQMS-UONOGXRCSA-N 316.361 1.793 30 50 DDEA Cn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)c1cn2ccccc2n1 328623767 JMMYRXOAIQVBBX-FZMZJTMJSA-N 311.345 1.903 30 50 DDEA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C#N)cc1 284632719 UZKWZMXHKSCUKN-HUUCEWRRSA-N 310.357 1.686 30 50 DDEA COC[C@H]1CN(C(=O)COc2ccccc2C#N)CC(C)(C)O1 285455857 JVOYAKIMEBVOHD-CQSZACIVSA-N 318.373 1.589 30 50 DDEA N#Cc1nn(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] 585133102 SVGAEMMLCJPLMC-AAEUAGOBSA-N 317.349 1.844 30 50 DDEA Cc1ccnc(N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)n1 253392246 QNCLGFHVQAGNDT-PXAZEXFGSA-N 305.341 1.635 30 50 DDEA CNC(=O)C[C@]1(O)CCCN(c2ncc(C#N)cc2Cl)C1 591621668 NWLWBBVJRUQLLZ-CQSZACIVSA-N 308.769 1.074 30 50 DDEA C[C@@H]1CN(Cc2cc(C#N)n(C)c2)CC[C@@]1(O)C1CCOCC1 91914920 MBTSTNZPVTYJKN-KDOFPFPSSA-N 317.433 1.896 30 50 DDEA Cc1nnc(N2C[C@@H](F)C[C@H]2C/N=C(/O)c2ncoc2C)o1 328626253 DYCDCLIXTLVVHB-UWVGGRQHSA-N 309.301 1.596 30 50 DDEA C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(C(N)=O)cc1 818027310 KVPJESSVHWSBNZ-AWEZNQCLSA-N 300.358 1.925 30 50 DDEA O=C(NC1CCN(c2nc3ccccc3s2)CC1)[C@H]1CO1 1875373114 UFBYFJAVOYZURZ-GFCCVEGCSA-N 303.387 1.780 30 50 DDEA Cc1noc(C[C@]2(O)CCCN(c3nccc(C)c3C#N)C2)n1 886079334 SEHJDEXUWQZJOI-MRXNPFEDSA-N 313.361 1.527 30 50 DDEA CC1(C)OB(c2cccc(N3CCCS3(=O)=O)c2)OC1(C)C 170017045 JZCJAHUPVJCLCO-UHFFFAOYSA-N 323.223 1.526 30 50 DDEA O=S1(=O)CCCN(/C(O)=N/CC2(C(F)(F)F)CC2)CC1 329342285 PMHPNSGOCUFRSM-UHFFFAOYSA-N 314.329 1.363 30 50 DDEA COCC[C@](C)(C#N)NS(=O)(=O)c1ccc(F)c(OC)c1 253393205 GHPQICGSAWBJSP-CYBMUJFWSA-N 316.354 1.431 30 50 DDEA N#Cc1ccc([C@H](O)CN2CCOC3(CCOCC3)CC2)cc1 364256605 ADTQSOJUSQLSGJ-QGZVFWFLSA-N 316.401 1.863 30 50 DDEA COC(=O)C(C(=O)OC)c1ncc(C(F)(F)F)cc1C#N 139803017 ZJGFKRBBQGSZLY-UHFFFAOYSA-N 302.208 1.402 30 50 DDEA C[C@H](Nc1ncc(S(N)(=O)=O)s1)c1ccc(C#N)cc1 301138304 FEOYWEPXJCXWJJ-QMMMGPOBSA-N 308.388 1.835 30 50 DDEA N#CCN1CCC(NC(=O)N2CC[C@@H](c3cccnc3)C2)CC1 591932528 VPKAIFLGIKKNGJ-OAHLLOKOSA-N 313.405 1.568 30 50 DDEA N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1CN 124479836 VJMSYDHGLJCBBB-BXKDBHETSA-N 313.810 1.617 30 50 DDEA C[C@@H]1CCCC[C@H]1C/N=C(/O)N1CCc2c(ncn(C)c2=O)C1 328623765 JMIRBHAOKJXHSS-OLZOCXBDSA-N 318.421 1.879 30 50 DDEA Cc1noc([C@@H](C)N/C(O)=N/Cc2ncnn2C(C)(C)C)n1 328775127 HUGNEJPPTHTBDP-MRVPVSSYSA-N 307.358 1.489 30 50 DDEA CN(C)S(=O)(=O)N(CC#N)Cc1ccc(Cl)cc1F 289710327 JAEITCPBVOGMOT-UHFFFAOYSA-N 305.762 1.611 30 50 DDEA COC[C@]1(O)CCN(Cc2cc(C#N)n(C)c2C)CC1(C)C 91550695 ISVPGBMGGHEMAC-QGZVFWFLSA-N 305.422 1.815 30 50 DDEA C[C@@H]1CO[C@]2(N=C(N)[C@]3(C#N)[C@H](c4ccccc4F)[C@@]23C#N)O1 247954491 LHUVWCBNHUXZJD-STCNKEHGSA-N 312.304 1.403 30 50 DDEA C=CCCO[C@H](C)C(=O)NS(=O)(=O)c1cccc(F)c1F 775002984 SLAAMPMVKMKDDQ-SECBINFHSA-N 319.329 1.751 30 50 DDEA CN1C(=O)c2ccccc2NC(=O)[C@]12O[C@@H]2c1cccc(O)c1 5759666 BDDNYDPRCCDQQJ-PBHICJAKSA-N 310.309 1.884 30 50 DDEA biogenic,in-vitro Cc1cc(=O)[nH]c(/N=C(\N)Nc2ccc(Br)cc2)n1 5419485 SYTSHEDGCRKJGS-UHFFFAOYSA-N 322.166 1.899 30 50 DDEA Cc1c(C(=O)N2CCCn3nc(C#N)cc3C2)nc2ccccn12 1857733210 ZRVYLXBYBBVTGC-UHFFFAOYSA-N 320.356 1.757 30 50 DDEA CN(C)C(=O)CCN1CCC(Oc2cccc(C#N)c2)CC1 264175463 IUMGXAJWUHZFNO-UHFFFAOYSA-N 301.390 1.880 30 50 DDEA C#CCCC1(CCC(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)N=N1 952879876 BXHLAXIIOFSKMG-UKRRQHHQSA-N 305.378 1.749 30 50 DDEA CO[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1c1cn(C)nn1 886072084 OAXZFOZWDFJZRF-XJKSGUPXSA-N 315.352 1.440 30 50 DDEA C#C[C@H](C)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 2325875264 LMLOCCPCIZTFIC-HNNXBMFYSA-N 306.431 1.631 30 50 DDEA C#CCCC1(CCC(=O)N[C@H](C)c2nc([C@@H](C)O)n[nH]2)N=N1 2325894968 CLLLLXHNQIKXGU-NXEZZACHSA-N 304.354 1.391 30 50 DDEA CC(=O)C1=C(O)C(=O)N(CC(=O)O)[C@@H]1c1ccc(Cl)cc1 4638058 OVIHKSUTZZZWDB-GFCCVEGCSA-N 309.705 1.709 30 50 DDEA N/C(=N\[N+](=O)[O-])Nc1ccc(NC(=O)c2ccccn2)cc1 8553173 QRUCWKYUVADYMU-UHFFFAOYSA-N 300.278 1.252 30 50 DDEA CCN(CC(=O)O)C1CC(/N=C(/O)c2cnn(C)c2C2CC2)C1 328622849 BNLIOZKTGHIFDU-UHFFFAOYSA-N 320.393 1.540 30 50 DDEA N#CCNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 365081291 CLDWIPDEAZWBBF-SECBINFHSA-N 312.156 1.986 30 50 DDEA COc1cccc(C=NN2CCN(c3ccccn3)CC2)c1O 244678718 IIUOHBREVZKQQH-UHFFFAOYSA-N 312.373 1.952 30 50 DDEA N#Cc1cnc(NC[C@H]2CCCN(C3CCCC3)C2)nc1N 826799177 ATJWTPKPGPXJJF-GFCCVEGCSA-N 300.410 1.997 30 50 DDEA C=CCN1CCC[C@H]1C(=O)N(CCO)Cc1ccc(F)cc1 952964864 DRYIPWKSMBEUSI-INIZCTEOSA-N 306.381 1.797 30 50 DDEA CCNC(=NC[C@@H](c1cccc(F)c1)N1CCOCC1)NCC 170610628 YMGIWDQVFBHVOS-INIZCTEOSA-N 322.428 1.774 30 50 DDEA Cc1nc([C@@H]2CCO[C@@H]2CN(C)c2ncc(C#N)cc2F)n[nH]1 1775960380 IKVRQVLMNNGMBY-DGCLKSJQSA-N 316.340 1.528 30 50 DDEA C=CC[C@H](C(=O)N1CC[C@@H](Cc2nn[nH]n2)C1)c1ccccc1 1775987773 FMIWJUVKDIYKGQ-ZFWWWQNUSA-N 311.389 1.951 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@H](Cn3cncn3)C2)N=N1 952879340 DFXBHJCOBVNFIR-AWEZNQCLSA-N 314.393 1.872 30 50 DDEA COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCC#N)c1 4113727 NEHQOVVRJBNMBR-CQSZACIVSA-N 315.329 1.780 30 50 DDEA C=CCc1cc(C=C2C(=O)NC(=O)NC2=O)cc(OCC)c1O 6498025 BCHULFJKCIQVKD-UHFFFAOYSA-N 316.313 1.269 30 50 DDEA CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2c[nH]nc2C#N)C1 585125822 GRDZVWAKWQSYPJ-SECBINFHSA-N 305.338 1.477 30 50 DDEA CCCCNc1cc(C#N)ccc1S(=O)(=O)NCCOC 1615051144 XSZWHYMCJFTDLP-UHFFFAOYSA-N 311.407 1.695 30 50 DDEA C=CCN1C(=O)N=C(O)/C(=C\c2ccc(C(=O)O)cc2)C1=O 17044141 PNPZLCOVVCPTEW-DHZHZOJOSA-N 300.270 1.873 30 50 DDEA C=C[C@H](O)C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 1148674927 ORHCDXZZPZVXRO-MNOVXSKESA-N 300.236 1.813 30 50 DDEA COc1cc(NCCNc2cc[nH]c(=N)c2C#N)cc(OC)c1 1875356844 VMVLCQRGDMPLOD-UHFFFAOYSA-N 313.361 1.907 30 50 DDEA C/N=C1\S[C@H](C(=O)Nc2cccc(C(=O)O)c2)CC(=O)N1C 100272067 VKSLNIKNVAIGTN-PQJBRBTKSA-N 321.358 1.273 30 50 DDEA Cc1nc2c(s1)CCC[C@@H]2C/N=C(/O)Cn1ncn(C)c1=O 328625269 KOQQOPWWUORABO-SNVBAGLBSA-N 321.406 1.423 30 50 DDEA C=CCn1c(CNC)nnc1S[C@H](C)C(=O)NC1CCCC1 426547652 RREOTKCMWHSZRF-LLVKDONJSA-N 323.466 1.723 30 50 DDEA Fc1cnc(NN=Cc2cccs2)nc1N1CCOCC1 243914703 BJSCWIGJRLOCKW-UHFFFAOYSA-N 307.354 1.960 30 50 DDEA COc1cccc(CCC(=O)N2CCn3nc(C#N)cc3C2)c1 584893534 YDJPMEMUXPOUIX-UHFFFAOYSA-N 310.357 1.738 30 50 DDEA N#Cc1ccc(S(=O)(=O)N2CC(Oc3nccs3)C2)cc1 218802030 TWQZNCNSTQDDAF-UHFFFAOYSA-N 321.383 1.467 30 50 DDEA CC(C)NC(=O)CN1CCN(c2ccc(C#N)cc2Cl)CC1 277741011 KTILSPUAHAGKJM-UHFFFAOYSA-N 320.824 1.858 30 50 DDEA CN(CC(=O)O)C[C@@H]1CN(c2c(Cl)cccc2C#N)CCO1 262094943 HTURCVSFZJMIEE-GFCCVEGCSA-N 323.780 1.433 30 50 DDEA N#Cc1cc(Cl)ccc1CN1CCC[C@@](O)(CC(N)=O)C1 591646758 ZEFFPQKABJEJNZ-OAHLLOKOSA-N 307.781 1.414 30 50 DDEA COC[C@]1(C(N)=O)CCCN1Cc1cn2ccccc2c1C#N 591646929 IFHPZCSNTUWPHI-KRWDZBQOSA-N 312.373 1.277 30 50 DDEA CN(C)C(=O)C[C@]1(O)CCCN(Cc2ccccc2C#N)C1 591632983 ZGAOISPTAYSGJX-QGZVFWFLSA-N 301.390 1.363 30 50 DDEA C[C@@H](CC1CCN(S(=O)(=O)CC2(C#N)CC2)CC1)C(=O)O 594573317 LAJMYNCTOUOJIQ-NSHDSACASA-N 314.407 1.443 30 50 DDEA CCN(C[C@H](C)C#N)C(=O)COC(=O)c1nc[nH]c2nccc1-2 850007021 DFORWZZEBCKZEC-SNVBAGLBSA-N 315.333 1.074 30 50 DDEA CC(=O)N[C@@H](C)C(=O)Nc1ccc(Br)c(C#N)c1 410993840 ZGPKKAPPNGMDMY-ZETCQYMHSA-N 310.151 1.784 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H](CC(C)C)c2nn[nH]n2)N=N1 2325894945 ZTAUJTSGDCZLMZ-NSHDSACASA-N 303.370 1.759 30 50 DDEA C[C@@H]1CCCN(S(=O)(=O)CC2(C#N)CCCC2)[C@H]1C(=O)O 424367338 LLUNDPAWZCMSRQ-VXGBXAGGSA-N 314.407 1.585 30 50 DDEA Cc1nc(CN(C)[C@@H]2CCN(C[C@@H](C#N)CCC#N)C2)no1 229830093 GVOKZNKGZQWHCX-ZIAGYGMSSA-N 302.382 1.328 30 50 DDEA CCCCCCCNCC(P(=O)(O)O)P(=O)(O)O 36176055 WRMHTOUCTOHPIY-UHFFFAOYSA-N 303.232 1.228 30 50 DDEA in-vitro Cc1cc(N2CCO[C@@H](CN(C)CC(=N)O)C2)c(C#N)c(C)n1 328637264 ONJVTXZXKRGNPJ-ZDUSSCGKSA-N 317.393 1.242 30 50 DDEA COc1cc(CNC(=O)N2C[C@H](F)C[C@H]2CO)ccc1C#N 360634432 OVNDZJRMLLVSQS-OLZOCXBDSA-N 307.325 1.181 30 50 DDEA CN1C[C@@H]2[C@@H](CCCN2C(=O)c2c(F)cc(C#N)cc2F)C1=O 285358384 UXVZCOPAJMMKTO-ZWNOBZJWSA-N 319.311 1.529 30 50 DDEA N#Cc1cc2n(n1)CCCN(Cc1nnc(-c3cccnc3)o1)C2 1506416494 GRUKTKAYTXPCBQ-UHFFFAOYSA-N 321.344 1.606 30 50 DDEA CN(c1cccc(B2OC(C)(C)C(C)(C)O2)c1)S(C)(=O)=O 200983621 SUHYFNZXTRHOFB-UHFFFAOYSA-N 311.212 1.382 30 50 DDEA Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](C)[C@H]1CN 261597845 PFWKXLGHZLKOSK-SMDDNHRTSA-N 307.419 1.615 30 50 DDEA C#CCCC1(CCC(=O)NCCN2CCN(CC)CC2)N=N1 952880195 CWUDYBMYOMPOFU-UHFFFAOYSA-N 305.426 1.096 30 50 DDEA CC#CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 1875376684 FRLDTPVAWZUXMD-RBZJEDDUSA-N 302.418 1.990 30 50 DDEA C=CCN(c1ccc(C(=O)N2CCCC2)cc1)S(C)(=O)=O 1111230 OADFJTNUPAOSKG-UHFFFAOYSA-N 308.403 1.875 30 50 DDEA O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(O)cc1O 107612084 OTACDJQEZJJVOX-GJKUAEAASA-N 312.325 1.629 30 50 DDEA Cc1n[nH]c(C)c1CC(=O)N1CCc2c(sc(N)c2C#N)C1 253420072 VWAQHFLEYQKTLC-UHFFFAOYSA-N 315.402 1.669 30 50 DDEA N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCC[C@H]1CN 124480486 VJMSYDHGLJCBBB-CABZTGNLSA-N 313.810 1.617 30 50 DDEA Cn1cc(N2CC[C@H](Nc3nc4c(cc3C#N)CCC4)C2)cn1 361829745 MBTQGCXKIYIVAK-AWEZNQCLSA-N 308.389 1.866 30 50 DDEA Cc1cc(NC(=O)[C@H]2COc3ccccc3C2)nn1CCC#N 362382204 PSAIMVXCSBEQRK-CQSZACIVSA-N 310.357 2.295 30 50 DDEA Cc1c(C#N)cccc1NC(=O)N1CCN2CCOC[C@@H]2C1 241124364 JHQUXLMHJOCZBQ-AWEZNQCLSA-N 300.362 1.415 30 50 DDEA COc1cccc(OCC(=O)O/N=C(\N)c2ccncc2)c1 4192052 JBWIWJUZCYKWRZ-UHFFFAOYSA-N 301.302 1.333 30 50 DDEA COC(=O)CSc1nc(-c2ccc(C)cc2)c(C#N)c(=O)[nH]1 5238330 MPVHOJKFGVIUCC-UHFFFAOYSA-N 315.354 1.882 30 50 DDEA Cc1[nH]nc(NC[C@@H]2CCCO[C@H]2c2nccn2C)c1C#N 594946418 PFJFMJBHUONHFY-WCQYABFASA-N 300.366 1.903 30 50 DDEA COc1ccc(-c2nc(C#N)c(N(CCO)CCO)o2)cc1 2050024794 SZJIJRPUOFRDBD-UHFFFAOYSA-N 303.318 1.013 30 50 DDEA COc1cc(C#N)ccc1C(=O)N(C)CCN1CCCC1=O 932662352 HHILRXMICFVWGP-UHFFFAOYSA-N 301.346 1.261 30 50 DDEA C#CC(C)(C)OC[C@@H](O)CN1CCN(Cc2ccccc2)CC1 22916859 XZGLRFRLHWTUKS-SFHVURJKSA-N 316.445 1.594 30 50 DDEA COc1cc(C#N)ccc1OCCN1CCC[C@H]2C(=O)NC[C@H]21 331721535 JIRGASGJJBYCPS-ZIAGYGMSSA-N 315.373 1.156 30 50 DDEA Cc1cc(C)c(C#N)c(N2CCOC3(CCN(C)CC3)C2)n1 591993667 LRQRSTWPSWVODF-UHFFFAOYSA-N 300.406 1.871 30 50 DDEA COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@](C)(N(C)C)C1 1615586711 XPYZWFZGDNIAGR-HNNXBMFYSA-N 323.418 1.282 30 50 DDEA CC1(C)OB(c2ccc(S(C)(=O)=O)c(F)c2)OC1(C)C 201297643 VRFPWIWPAXETRZ-UHFFFAOYSA-N 300.160 1.528 30 50 DDEA in-vitro CCc1nn(Cc2ccc3nonc3c2)c(=O)c(C#N)c1CC 408518531 MINKVQNQACAKKU-UHFFFAOYSA-N 309.329 1.824 30 50 DDEA N#Cc1cc(S(=O)(=O)N(CC(=O)O)C2CCC2)ccc1F 593945471 NYAZOSGYXBCJIS-UHFFFAOYSA-N 312.322 1.325 30 50 DDEA CN(C)Cc1nc(CNS(=O)(=O)c2cccc(C#N)c2)co1 952881152 QKGGYZDQZWMSBH-UHFFFAOYSA-N 320.374 1.086 30 50 DDEA O=C(O)Cn1cc(/C=C2/CCc3cc(F)ccc3C2=O)nn1 134413101 QTMBBGXRSFQILP-POHAHGRESA-N 301.277 1.714 30 50 DDEA Cc1nc2c(s1)CCC[C@H]2C/N=C(/O)Cn1ncn(C)c1=O 328625268 KOQQOPWWUORABO-JTQLQIEISA-N 321.406 1.423 30 50 DDEA CCn1cnnc1[C@@H]1CN(C(O)=Nc2ccsc2)CCO1 328620956 HLYJDOOVHSYWAV-NSHDSACASA-N 307.379 1.979 30 50 DDEA C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@@H]2C(=O)NC)CC1 334011059 PMBNMBNNQGQDGJ-GJZGRUSLSA-N 322.453 1.241 30 50 DDEA CS(=O)(=O)N[C@@H]1CCCC[C@H]1N/C(O)=N/Cc1ccco1 330590920 YXEYZMIEQNRWQH-VXGBXAGGSA-N 315.395 1.144 30 50 DDEA CO[C@@H]1CN(c2ccc(C#N)cc2F)C[C@H]1c1cn(C)nn1 886079885 AUJCTLVAPHEGKR-XHDPSFHLSA-N 301.325 1.445 30 50 DDEA COc1cc(C(=O)N(C)C)ccc1B1OC(C)(C)C(C)(C)O1 170004243 GNSXYAZKIZDASA-UHFFFAOYSA-N 305.183 1.696 30 50 DDEA CC(C)Oc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(N)=O 170004583 NRAIUAMVXHEYIM-UHFFFAOYSA-N 305.183 1.872 30 50 DDEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)[C@H]2CCCOC2)C1 328642925 REWGENYOVDMUJC-HSBZDZAISA-N 310.394 1.697 30 50 DDEA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2N/C(O)=N/C2CC2)nn1 328608510 ZEXXZHVGYKEXLC-NWDGAFQWSA-N 307.398 1.655 30 50 DDEA O=S1(=O)CCO[C@H](C/N=C(/O)[C@@H](c2ccccc2)C2CC2)C1 329054930 HWPAOTNUURATHP-CABCVRRESA-N 323.414 1.950 30 50 DDEA C=CCCS(=O)(=O)NCCc1ncn(C)c1Br 1195362565 KSVSDRVIUJYFEO-UHFFFAOYSA-N 322.228 1.221 30 50 DDEA Cc1[nH]c(CN2CCC3(CC2)CC(=O)NC(=O)C3)cc1C#N 584892685 JMMATPSNEIICAM-UHFFFAOYSA-N 300.362 1.214 30 50 DDEA CC1(C)OB(c2ccc(S(=O)(=O)NC3CC3)cc2)OC1(C)C 169794625 ASFBWQXCZSUHRX-UHFFFAOYSA-N 323.223 1.427 30 50 DDEA in-vitro CCOC(=O)C1=C(C)N/C(=C/c2ccccc2[N+](=O)[O-])C1=O 313332 XYFLJMMULIFZFB-DHZHZOJOSA-N 302.286 1.945 30 50 DDEA N#Cc1c(F)cccc1N1CCC[C@@](O)(C(=O)N2CCCC2)C1 408033753 BOBXGEYBGWWDLU-KRWDZBQOSA-N 317.364 1.651 30 50 DDEA CCN1CCN(/C(O)=N/C2CCOCC2)C[C@H]1c1ncc[nH]1 328635201 URCUHLMWIUBJNH-ZDUSSCGKSA-N 307.398 1.181 30 50 DDEA CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1nc[nH]c2nccc1-2 850007020 DFORWZZEBCKZEC-JTQLQIEISA-N 315.333 1.074 30 50 DDEA C=C(C)[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2nnc(O)o2)CC1 1875293919 HUZBWNQRHHYYNQ-OLZOCXBDSA-N 321.377 1.853 30 50 DDEA CC#CC(=O)N(C)CCC1CCN(C2CCN(C)CC2)CC1 1875363193 AMYZYGUWAHASDV-UHFFFAOYSA-N 305.466 1.664 30 50 DDEA CO[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@H]1c1cn(C)nn1 886080404 RBMVFMUQBWBMKJ-SWLSCSKDSA-N 317.780 1.959 30 50 DDEA C#CCCC1(CCNC(=O)c2cncc(-n3ccnc3)n2)N=N1 2325891389 CQDTZDIEVOCDKU-UHFFFAOYSA-N 309.333 1.358 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H]2CCc3[nH]c(=N)sc3C2)N=N1 2325899399 BMYZFZYHIULORX-SNVBAGLBSA-N 317.418 1.885 30 50 DDEA C=CCN1CC[C@@H](CNC(=O)CSc2nc(CC)n[nH]2)C1 55242170 WKKQSTQCJPBEDI-NSHDSACASA-N 309.439 1.083 30 50 DDEA Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCCC[C@H]1CN 227926362 WKDBHAPRKPEZFG-KBPBESRZSA-N 307.419 1.663 30 50 DDEA CNS(=O)(=O)c1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1 170005450 JPKSOCIEKDHAAS-UHFFFAOYSA-N 311.212 1.202 30 50 DDEA CN(C)c1ccnc(N=C(O)N2CCC[C@H]2CN2CCCC2)n1 328587822 JDSWSHWLKPTIKB-ZDUSSCGKSA-N 318.425 1.648 30 50 DDEA Cn1cc2c(n1)CCC[C@H]2/C(O)=N/CCn1cnnc1C1CC1 328671647 NOFFJVAEOUQPQL-GFCCVEGCSA-N 314.393 1.966 30 50 DDEA N#Cc1ncn(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1C#N 180422824 XORLXZSVWSBGCN-UHFFFAOYSA-N 314.236 1.312 30 50 DDEA C#CC(C)(C)N(C)S(=O)(=O)c1cnn(CC(F)(F)F)c1 195473528 HTTLDKWFIZKLLT-UHFFFAOYSA-N 309.313 1.478 30 50 DDEA CO[C@@H]1CN(C(=O)C2(C#N)CCCCC2)C[C@H]1c1cn(C)nn1 886075728 YEXACXIYJADGMF-GXTWGEPZSA-N 317.393 1.230 30 50 DDEA CCN1C(=O)C[C@@H](CN=c2cc[nH]cc2C#N)[C@@H]1c1cccnc1 886036493 AWTYSIFGKFLFJQ-KSSFIOAISA-N 321.384 1.792 30 50 DDEA C[C@](N)(CN=c1[nH]cc(C#N)c2ccsc12)Cn1cccn1 2325799968 BVNDMUBYGNUUKF-HNNXBMFYSA-N 312.402 1.616 30 50 DDEA C#CCCC1(CCC(=O)Nc2nc3c(s2)C(=O)NCC3)N=N1 2325892886 OTXNGYIGCOTGQY-UHFFFAOYSA-N 317.374 1.723 30 50 DDEA N#Cc1cc(F)cc(OCC(=O)N2CCOC[C@@H]2C2CC2)c1 367936182 VHHWNEPIEOXAQH-OAHLLOKOSA-N 304.321 1.714 30 50 DDEA CO[C@H]1C[C@@H](CN(C)CCOc2ccccc2C#N)N(C)C1 284838114 NZRQWVIDGFFCCE-HOTGVXAUSA-N 303.406 1.588 30 50 DDEA Cc1ccc(C#N)c(N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)n1 284856918 XTEUTKSYZKQYOZ-LSDHHAIUSA-N 314.389 1.369 30 50 DDEA C=CCOc1ccccc1C(=O)NC1CC(N2CCOCC2)C1 585123778 KMEOBUADAKUGTL-UHFFFAOYSA-N 316.401 1.844 30 50 DDEA C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1C(=O)CNc1ccc(C#N)cc1 585125676 AUGXPCKWWIKQFS-XUJVJEKNSA-N 314.389 1.471 30 50 DDEA C=CCN[C@H]1CCc2c(c(C(=O)NC)nn2Cc2ccccc2)C1 14742227 QQINGHIAEAHPAW-HNNXBMFYSA-N 324.428 1.924 30 50 DDEA COCCN(C)c1ccc(/C=C2\C(=O)c3ncnn3[C@@H]2C)cn1 864086503 GTKSXFGYCOCEOF-JYVXZMADSA-N 313.361 1.597 30 50 DDEA 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316.386 1.922 30 50 DDEA N#CC1(c2ccccc2)CC(Nc2ncnc3c2NC(=O)CO3)C1 1875295238 UTCNJPLNBNQUJP-UHFFFAOYSA-N 321.340 1.843 30 50 DDEA O=C(N[C@H]1CCCN(C(=O)[C@@H]2CO2)C1)OCc1ccccc1 1875373135 URWZRFPXGNDHQP-KBPBESRZSA-N 304.346 1.303 30 50 DDEA COc1ccc(N/C(N)=N/c2nc(C)c(C)c(=O)[nH]2)c(OC)c1 20028218 LYAYVQWOHXYEKP-UHFFFAOYSA-N 317.349 1.462 30 50 DDEA CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(N)=O 309863419 KMCFVENGJCVLEX-UHFFFAOYSA-N 304.155 1.043 30 50 DDEA CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2nccn2c1 170005341 YRGRELFLQUNSAK-UHFFFAOYSA-N 316.166 1.810 30 50 DDEA N#Cc1cc2c(=O)n(CCCOc3cccnc3)ccc2[nH]c1=O 67908059 FZJWUVRCUKDJEJ-UHFFFAOYSA-N 322.324 1.426 30 50 DDEA CCn1cnnc1[C@H]1CN(/C(O)=N/CC2(OC)CCC2)CCO1 328623156 IYKZFBXCULZBGB-GFCCVEGCSA-N 323.397 1.154 30 50 DDEA CCn1ccnc(N[C@H]2CCCN(c3ccccc3C#N)C2)c1=O 367376800 FBWURFOWSUTKLS-HNNXBMFYSA-N 323.400 2.216 30 50 DDEA C[C@@H]1CCCc2nc(S(=O)(=O)Nc3c(C#N)cnn3C)cn21 333184229 QKCOTLCSXBRHPT-SECBINFHSA-N 320.378 1.186 30 50 DDEA COC(=O)Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC 197380574 XDTLZBHTRFVPIC-UHFFFAOYSA-N 306.167 1.710 30 50 DDEA C=CCN(CC=C)C(=O)Cn1cnc2snc(C)c2c1=O 253400405 DMCNSGHLMGWPIJ-UHFFFAOYSA-N 304.375 1.362 30 50 DDEA COc1cc(CNC[C@H]2CN(C3CC3)CCO2)ccc1C#N 374137761 ZGTBHKXCBFALGH-INIZCTEOSA-N 301.390 1.520 30 50 DDEA Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 591679719 VCKWXYCSOZXKSD-UAGQMJEPSA-N 313.401 1.584 30 50 DDEA Cc1nnc(SCC(=O)O)n1/N=C/c1ccc2c(c1)OCO2 2532897 MTIQXQXGTDHQMM-LHHJGKSTSA-N 320.330 1.374 30 50 DDEA C[C@H](C(=O)N[C@H]1CNCC[C@H]1C#N)n1ccc2ccccc2c1=O 2325795411 DSZAXVIBDDCARD-INWMFGNUSA-N 324.384 1.180 30 50 DDEA C#CCCC1(CCC(=O)N2CCO[C@@H](c3nc[nH]n3)C2)N=N1 2325892778 CBALPFJHXAARHD-LLVKDONJSA-N 302.338 1.060 30 50 DDEA Cc1nc2n(n1)C[C@H](/N=C(/O)C/N=C(/O)c1cccnc1)CC2 330141112 JNHYXFBSBPSZBG-GFCCVEGCSA-N 314.349 1.258 30 50 DDEA C[C@@H](O)CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 283051583 RCSDFNAYTOSWDM-SSDOTTSWSA-N 303.240 1.959 30 50 DDEA C#CC[C@@H](NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)C(N)=O 159453298 MUIQARXGWJSSAM-SNVBAGLBSA-N 318.682 1.966 30 50 DDEA Cn1cc([C@@H]2CN(c3nc4ccccn4c3C#N)C[C@H]2CO)cn1 299749558 KSRUUFBJEBSIFK-KBPBESRZSA-N 322.372 1.152 30 50 DDEA NC1=C(c2nc3ccccc3s2)C(=O)CN1C[C@@H]1CCCO1 5010604 WITCQHXMUAKCLS-JTQLQIEISA-N 315.398 1.987 30 50 DDEA C=CCOc1ccc(CNCCN2CCOCC2)cc1OC 19872094 FRUSEMYHXCQRAD-UHFFFAOYSA-N 306.406 1.682 30 50 DDEA C[C@@H](C#N)C(=O)N1CCC(c2nccc(N3CCCC3)n2)CC1 952894284 YQQPAIMGWOKKMN-ZDUSSCGKSA-N 313.405 1.942 30 50 DDEA CO[C@@]1(CN(C)C(=O)c2cc(C#N)c3n2CCCC3)CCOC1 2325799407 UTMIRHHABJYMPZ-QGZVFWFLSA-N 317.389 1.574 30 50 DDEA C#CCCC1(CCC(=O)N2CCC(c3nnc(O)o3)CC2)N=N1 2325886409 WGYXASRNRNQBEJ-UHFFFAOYSA-N 317.349 1.837 30 50 DDEA C=CCNC[C@@]1(O)CCCN(CCCc2ccccc2)C1=O 67674310 NKKBACNFGUVIFA-SFHVURJKSA-N 302.418 1.748 30 50 DDEA Cc1cc(N2C(=O)[C@H](C)N(C)C2=O)nn1-c1cccc(C#N)c1 375925386 UYHSXMNHLOCXFX-NSHDSACASA-N 309.329 1.839 30 50 DDEA CC(=O)c1c(C)nn(CCC(=O)Nc2[nH]cnc2C#N)c1C 1940196056 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1.920 30 50 DDEA N#Cc1cc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)c[nH]1 170603753 ODOXUTFJOXMSGN-UHFFFAOYSA-N 306.329 1.644 30 50 DDEA COc1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)O)S2)cc1 5720401 IXAFTOCVNVDRDI-FBWGLTFQSA-N 307.331 1.091 30 50 DDEA CN(C)c1cc(N/N=C/c2ccc(O)cc2O)nc(N(C)C)n1 4592714 APTXHSNPRITVSR-CXUHLZMHSA-N 316.365 1.466 30 50 DDEA N#Cc1ccc(NCC(=O)NC2CC(O)(C(F)(F)F)C2)cc1 584908191 HBKLYFBSWDOSSW-UHFFFAOYSA-N 313.279 1.542 30 50 DDEA CO[C@@H]1CN(CCOc2ccccc2C#N)C[C@H]1c1cnn[nH]1 591650124 XGXJTNQKXJKFBW-XJKSGUPXSA-N 313.361 1.170 30 50 DDEA C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H](c2nc(C3CC3)no2)O1 857842052 SHBCNGUKGNKFMA-ZWNOBZJWSA-N 301.346 1.649 30 50 DDEA CN1CCO[C@@H](CNc2cnccc2C#N)[C@@H]1c1cncn1C 952852499 CHLLTBITMOGGTL-HOTGVXAUSA-N 312.377 1.171 30 50 DDEA COC(=O)c1cc(S(=O)(=O)Nc2cccc(CC#N)c2)c[nH]1 2325879326 QSJGETMDNFZUNK-UHFFFAOYSA-N 319.342 1.668 30 50 DDEA COc1ccc(CCN/C(C)=C2/C(=O)CSC2=O)cc1OC 106420123 IECZRXXTZPSLSB-GDNBJRDFSA-N 321.398 1.952 30 50 DDEA C[C@H](/N=C(/O)N1CCO[C@@H](c2nncn2C)C1)c1cccs1 328634228 TUZLVPFMBPBLAB-WDEREUQCSA-N 321.406 1.925 30 50 DDEA CCN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N\n1cnnc1 5598029 KEMXKYBGSBGSHF-FGAWCECUSA-N 315.358 1.739 30 50 DDEA C[C@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H](CC(=O)O)C1 261793195 UALLMASKBLCIHG-AAEUAGOBSA-N 318.329 1.028 30 50 DDEA N#Cc1cccc(-n2ccc(C(=O)N3CC([C@@H]4CCOC4)C3)n2)c1 374115152 UHLWRBNGWWPWEQ-CQSZACIVSA-N 322.368 1.852 30 50 DDEA Cc1c(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)cnc(O)c1C#N 77321554 DYJHDUASUUYKQP-NSHDSACASA-N 311.345 1.710 30 50 DDEA Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(F)cc1C#N 124585128 JHFZDSVOXJPWKL-UHFFFAOYSA-N 308.338 1.849 30 50 DDEA O/C(=N/CCn1cccn1)N1CCC(O)(C(F)(F)F)CC1 330704317 MAWGTOYZBXEYAV-UHFFFAOYSA-N 306.288 1.186 30 50 DDEA COC1(C/N=C(/O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)CCC1 328641360 XUYSKZFPWGKLMA-UONOGXRCSA-N 322.409 1.631 30 50 DDEA CO[C@@H]1CN(c2nc(C)c(C#N)cc2Cl)C[C@H]1c1cnn[nH]1 591628320 BMRFZOFIDCBVBQ-GXFFZTMASA-N 318.768 1.652 30 50 DDEA 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CNC(=O)[C@]1(COC)CCCN1Cc1ccc(Cl)cc1C#N 591648037 ZSJCCZYTOBBDGA-MRXNPFEDSA-N 321.808 1.939 30 50 DDEA C#CCCC1(CCNC(=O)c2cn(C)nc2[C@H]2CCCO2)N=N1 2325891508 LOUQJUUJNUXRKB-CYBMUJFWSA-N 315.377 1.967 30 50 DDEA CCN(C(C)=O)c1nc(/C=C2/S/C(=N/C)NC2=O)cs1 901539864 KSYDUTFTTCCEPV-WEVVVXLNSA-N 310.404 1.706 30 50 DDEA O=C(C1CC1)N1CCCN(/C(O)=N/CC2=CCCOC2)CC1 329709323 MYTRCHZDDIRZQF-UHFFFAOYSA-N 307.394 1.191 30 50 DDEA CCN(CC)/C(N)=N\CC1(N2CCCCC2)CCN(C)CC1 253432792 OCPKUBXGUWKRAK-UHFFFAOYSA-N 309.502 1.593 30 50 DDEA CN(C)c1cc2c(nn1)CCN(C[C@H](O)c1ccc(C#N)cc1)C2 366224281 WQZFUYOCGYULOH-KRWDZBQOSA-N 323.400 1.506 30 50 DDEA CN(C)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 169794559 MGNYJHDYPKEINB-UHFFFAOYSA-N 311.212 1.236 30 50 DDEA in-vitro C=CCOc1ccc(C(=O)N2CCC[C@@](O)(CO)C2)cc1OC 457915431 NRAACNDUVMEZNH-KRWDZBQOSA-N 321.373 1.219 30 50 DDEA Cc1ccc(C#N)c(N2CC[C@@H](c3cc(O)nc(N(C)C)n3)C2)n1 864313895 ZMOWLRDHQPWUAE-CYBMUJFWSA-N 324.388 1.817 30 50 DDEA N#Cc1ccc(CN2CCc3c(O)nc(O)nc3C2)c(Cl)c1 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1.848 30 50 DDEA C#CCCC1(CCC(=O)NCC2(N3CCOCC3)CC2)N=N1 952881573 ODFWRHNLFBWLAY-UHFFFAOYSA-N 304.394 1.323 30 50 DDEA C#CCCC1(CCC(=O)N[C@H]2C3C[C@H]4[C@@H](C3)C24C(=O)OC)N=N1 2325892748 AGZMKGBJHKRVSO-GYQNCYHVSA-N 315.373 1.656 30 50 DDEA C=CCOc1ccccc1CNC(=O)N[C@H]1CCS(=O)(=O)C1 111787244 RPCZZAHKHMFQDB-ZDUSSCGKSA-N 324.402 1.238 30 50 DDEA CC(O)=Nc1ccn([C@H]2CCN(Cc3cn(C)nc3C)C2)n1 328629313 OQGBAYSMBZOVHQ-AWEZNQCLSA-N 302.382 1.980 30 50 DDEA CSC[C@H](C)/N=C(/O)N(CC1CC1)C[C@H]1CN(C)CCO1 328630932 JXHHVVVYZFXKDR-GXTWGEPZSA-N 315.483 1.695 30 50 DDEA N#Cc1ccc(F)c(CN2CCC[C@@](O)(Cn3ccnn3)C2)c1 284541985 KRQLHVNBMBOWOM-INIZCTEOSA-N 315.352 1.316 30 50 DDEA COC[C@H]1CN(C(=O)c2ccc(C#N)c(C)n2)CC(C)(C)O1 284903906 BKWJQLOGHBTGLT-CYBMUJFWSA-N 303.362 1.528 30 50 DDEA C=C(C)C[C@H](NC(=O)c1cccc2c1O[C@H](C)C(=O)N2)C(=O)O 630317536 RUWXJHQAOPUGBV-SKDRFNHKSA-N 318.329 1.555 30 50 DDEA COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] 169955718 YXJOPYXGQATVOC-UHFFFAOYSA-N 307.111 1.681 30 50 DDEA in-vitro N#Cc1ccc(NCC(=O)NCC[S@](=O)C(F)(F)F)cc1 585127860 LFSFQPLCKUHVBL-NRFANRHFSA-N 319.308 1.355 30 50 DDEA C#CCCC1(CCC(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)N=N1 1615629252 QCDROOSIFFXPKK-QWHCGFSZSA-N 303.362 1.911 30 50 DDEA Cc1ccc(C(=O)O/N=C(\N)c2ccncc2)cc1[N+](=O)[O-] 5073313 YVOHOUDGVXHFSA-UHFFFAOYSA-N 300.274 1.776 30 50 DDEA CC(C)(C)OC(=O)N1CCN[C@@H](CNc2ncccc2C#N)C1 952883442 XHSTXGJUDKDUFP-ZDUSSCGKSA-N 317.393 1.574 30 50 DDEA C#CCCC1(CCC(=O)N2CC[C@@H](N3CCCC3=O)C2)N=N1 952880556 GWZGNAWTCZYKMK-CYBMUJFWSA-N 302.378 1.565 30 50 DDEA CC(=O)N1CCO[C@H]2CCN(c3c(C#N)cccc3C#N)C[C@@H]21 886051573 GQAMCKSYEQIZKB-HOTGVXAUSA-N 310.357 1.256 30 50 DDEA CCOc1c(CN[C@H]2CCCN(O)C2=O)c(C)nn1CC(C)C 895164790 GZBQDDNAXLWALE-AWEZNQCLSA-N 324.425 1.716 30 50 DDEA CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1c1ccnc(C#N)c1 1775956940 CPVAWCQQEGVXAG-STQMWFEESA-N 314.349 1.237 30 50 DDEA C#CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](n2ccnc2)C1 229549046 DRQCACKDDGQURP-CVEARBPZSA-N 300.406 1.534 30 50 DDEA C[C@@H](CC#N)OC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 113691492 XUDIGQGQKWSDDJ-QMMMGPOBSA-N 303.343 1.681 30 50 DDEA COc1nc2ccn(CCn3nc(C)nc3C)c(=O)c2cc1C#N 71315337 UOCRHZZUDKCEDB-UHFFFAOYSA-N 324.344 1.185 30 50 DDEA N#CC1(C(=O)Nc2ccc(CCC(=O)O)cc2)CCOCC1 124785647 AAVHAHDUJAZEOP-UHFFFAOYSA-N 302.330 1.963 30 50 DDEA C#CCOc1cc(C(=O)NCC[C@H]2CCOC2)ccc1OC 534649229 ZNGNMTGZQNMDJE-ZDUSSCGKSA-N 303.358 1.864 30 50 DDEA CCC(=O)On1nc2c(c1N)CN(C(=O)OC(C)(C)C)C2(C)C 498050906 ZEIIFSVSHZNOJI-UHFFFAOYSA-N 324.381 1.816 30 50 DDEA Cc1cc(C)n(C2CN(Cc3cc(C#CCO)cs3)C2)n1 828644591 HXPFTNSIPARUHA-UHFFFAOYSA-N 301.415 1.962 30 50 DDEA C=CCC[C@@H](NC(=O)c1ccc(C(N)=O)cc1)C(=O)OCC 408520657 QRYBPSNBEMFNPN-CYBMUJFWSA-N 304.346 1.413 30 50 DDEA C=CCOc1cccc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)c1 1704339464 HLOFDBDDJBNOQV-ZBFHGGJFSA-N 316.401 1.654 30 50 DDEA C=C(CNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)c1ccccc1 922482420 MBBDTINRDQWTJF-CQSZACIVSA-N 323.418 1.162 30 50 DDEA C=C1CCC(C(=O)N2C[C@@H](C(=O)O)[C@H](c3cncn3C)C2)CC1 1875311208 PYIRGGBSQFRPBZ-ZIAGYGMSSA-N 317.389 1.793 30 50 DDEA C=C(C)COc1ccccc1C(=O)N1CCC(=O)NC[C@@H]1C 55359861 UXYPRAYHVAVEMZ-ZDUSSCGKSA-N 302.374 1.992 30 50 DDEA C[C@H]1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@H]1CN 246613556 SGNUMYNBMMEMSY-WFASDCNBSA-N 307.419 1.447 30 50 DDEA CCOC(=O)/C(Cl)=N/Nc1c(C(=O)OCC)cnn1C 100009721 TZLIVOLYCVSGMK-ZSOIEALJSA-N 302.718 1.124 30 50 DDEA C=CC[C@]1(CO)CCCN(C(=O)c2noc(C)c2COC)C1 92097474 OMAGKAIHJCTHLX-INIZCTEOSA-N 308.378 1.920 30 50 DDEA Cc1noc([C@@H](NC(=O)c2ccc(C#N)[nH]2)C2CCOCC2)n1 328608613 ARQPCPHBBDYMNA-ZDUSSCGKSA-N 315.333 1.476 30 50 DDEA COc1ccc(C#N)cc1CN1CC(C)(C)O[C@@H]2COC[C@H]21 593118557 ZFGDFPVQCDGWPY-GDBMZVCRSA-N 302.374 1.945 30 50 DDEA C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc(C#N)ccc2NC)C1 1875371920 QFDZORDGMPPQIL-CYBMUJFWSA-N 312.373 1.963 30 50 DDEA CCNC(=NCCCC(=O)N1Cc2ccccc2C1)NCC 111994674 HTGJNLJGBJRPAW-UHFFFAOYSA-N 302.422 1.884 30 50 DDEA CCc1ccc(S(=O)(=O)N/N=C\c2cccc(O)c2O)cc1 17055269 FLJJEOZUNKWGQA-YBEGLDIGSA-N 320.370 1.973 30 50 DDEA CC1(C)OB(c2cc(Cl)cc(S(N)(=O)=O)c2)OC1(C)C 306415635 QFMCDOZBMRUPCC-UHFFFAOYSA-N 317.603 1.287 30 50 DDEA CO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cncc(C#N)c2)C12CCC2 576550984 LELRAQAPBWPOLY-ZIAGYGMSSA-N 321.402 1.531 30 50 DDEA CN1CCN[C@H](Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 169745742 FUFLKGHSJWMHBW-MRXNPFEDSA-N 316.254 1.432 30 50 DDEA N#Cc1ccc(N2CCn3nc(C(=O)N4CCCC4)cc3C2)nc1 65525646 OGZDBXBJWMABPD-UHFFFAOYSA-N 322.372 1.406 30 50 DDEA Cc1noc([C@@H]2CN(Cc3cc(F)ccc3C#N)CCN2C)n1 284818819 JLBIVIWMJJPUQQ-HNNXBMFYSA-N 315.352 1.878 30 50 DDEA CC(C)NS(=O)(=O)CCNc1ccc([N+](=O)[O-])cc1C#N 195248409 JUKWJPYTCIHMJJ-UHFFFAOYSA-N 312.351 1.206 30 50 DDEA COC(=O)CCc1nc(COc2cc(C)c(C#N)c(C)n2)no1 585122847 BPISGGRYAXEEDB-UHFFFAOYSA-N 316.317 1.638 30 50 DDEA CC[C@@H](CC#N)NC(=O)c1cc2ncc(Br)cn2n1 585137829 VALCOAYAZLBENC-VIFPVBQESA-N 322.166 1.914 30 50 DDEA Cc1nn(C)cc1/C=N/NC(=S)Nc1cccc(C(=O)O)c1 126404 HXUBEZURCCDITI-VIZOYTHASA-N 317.374 1.747 30 50 DDEA C=C(C)Cn1c(N2CCC[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 527408 FKKMTCWMVZSZOX-LLVKDONJSA-N 317.393 1.236 30 50 DDEA CN1C(=O)CCC[C@@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 908046386 RDBLIKMKOODVRQ-CYBMUJFWSA-N 305.765 1.839 30 50 DDEA C=C(C)Cn1c(SCCOCC)nc2c1c(=O)[nH]c(=O)n2C 1840250 ZBTBWEIWDYFMMY-UHFFFAOYSA-N 324.406 1.128 30 50 DDEA Cc1c([C@H]2OCC[C@@H]2/C(O)=N/[C@H]2CC(C)(C)OC2=O)cnn1C 328609979 GGSZWTYWNJSGJF-DRZSPHRISA-N 321.377 1.857 30 50 DDEA CO[C@H]1C[C@@H](/C(O)=N/Cc2ccc3nc(O)[nH]c3c2)N(C)C1 329028194 KJVACZQOIDFAMJ-GWCFXTLKSA-N 304.350 1.444 30 50 DDEA Cn1cc(C(=O)NC[C@H]2CCCN2c2ccc(C#N)cn2)cn1 585132743 ROJXVOBEDPBCFI-CQSZACIVSA-N 310.361 1.086 30 50 DDEA N#Cc1cccnc1N[C@H]1CCN(C(=O)c2ccccn2)C[C@@H]1O 1565527622 WHJSOELORSWNPC-ZFWWWQNUSA-N 323.356 1.036 30 50 DDEA N#Cc1ccc(OCCNC(=O)N2C[C@H](F)C[C@H]2CO)cc1 347464948 PHCIIXAADVAOJR-OLZOCXBDSA-N 307.325 1.051 30 50 DDEA C#CCCC1(CCC(=O)N2CCc3[nH]nc(C(=O)O)c3C2)N=N1 952876817 XQGAUVHGKRHWIF-UHFFFAOYSA-N 315.333 1.348 30 50 DDEA C=CCN(C(=O)C(=O)c1ccco1)[C@]1(C)CCS(=O)(=O)C1 67588853 FIRVDTUYUWMJGL-CQSZACIVSA-N 311.359 1.054 30 50 DDEA Cc1nnc(N2CCC[C@]3(C2)N=C(O)N=C3O)c(C#N)c1C 329176663 BYKYEPBHBGIZFO-CQSZACIVSA-N 300.322 1.188 30 50 DDEA N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CN)c(F)c1 238026355 CXAFHGLAIUHGMB-DGCLKSJQSA-N 311.382 1.493 30 50 DDEA N#Cc1ccc(N2CC[C@H](n3cc(CCCO)nn3)C2=O)cc1 603189415 BIAUMCYZVHEPGQ-HNNXBMFYSA-N 311.345 1.053 30 50 DDEA O/C(=N/C[C@@H]1C[C@H](F)CN1Cc1nccs1)c1ccnnc1 328629686 IMZHWNCSOAZVJA-RYUDHWBXSA-N 321.381 1.850 30 50 DDEA C=CCOCCCNC(=O)N1CCc2nnc(OC)cc2C1 952892755 CKCSSFHLFYCWIF-UHFFFAOYSA-N 306.366 1.146 30 50 DDEA C#CCCC1(CCC(=O)N[C@H](C(=O)O)[C@H]2CCCOC2)N=N1 952876151 COKPRVQFRXTBEW-AAEUAGOBSA-N 307.350 1.338 30 50 DDEA O=C(C/N=C(/O)CN[C@@H]1CCC(O)=NC12CCC2)N1CCCC1 328681638 CPFRIAHPJSDDEU-GFCCVEGCSA-N 322.409 1.197 30 50 DDEA C=CCN(C)C(=O)NCc1ccnc(N2CCN(CC)CC2)c1 154301640 UMGDIOYRUZMOCN-UHFFFAOYSA-N 317.437 1.551 30 50 DDEA N#Cc1cc(C(=O)N2CCN([C@@H]3CCOC3)CC2)ccc1F 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1.867 30 50 DDEA N#Cc1ccc(C(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1 299758126 CSVOIPFCYNMXRZ-GJZGRUSLSA-N 309.329 1.136 30 50 DDEA CCc1nc(C#N)cc(N[C@H]2CCC[C@H]2Cc2cnn(C)c2)n1 585098824 FKIUFCCAHADNMZ-ZFWWWQNUSA-N 310.405 2.467 30 50 DDEA COc1ccc(N/C(N)=N/c2nc(=O)c3c([nH]2)CCCC3)cc1 18029960 DCEMEMWQUDSMGA-UHFFFAOYSA-N 313.361 1.716 30 50 DDEA CCn1cc([C@H]2OCC[C@@H]2CN=c2nc(C#N)cc(C)[nH]2)cn1 1857528522 GUKQGXDMXPYTQZ-DOMZBBRYSA-N 312.377 1.485 30 50 DDEA Cc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)N 261597216 MRRAPVYKQBAYBV-GXTWGEPZSA-N 307.419 1.757 30 50 DDEA C#CCCC1(CCNC(=O)[C@H]2Cc3ccccc3NC2=O)N=N1 2325891543 NMPXGXRDDJTGCT-CYBMUJFWSA-N 310.357 1.879 30 50 DDEA C=CCNC(=O)CSc1nnc([C@H](C)n2ccc(C)n2)o1 2732987 FHKQJRXKXYPTAG-JTQLQIEISA-N 307.379 1.578 30 50 DDEA Cn1cc(CN[C@H]2CCN(C(=O)c3cccnc3)C2)cc1C#N 365173994 YNYRHYHYBZOHJR-HNNXBMFYSA-N 309.373 1.296 30 50 DDEA C[C@@H]1C[C@@H](N2CC[C@@H](CNc3ncccc3C#N)C2)C(=O)O1 222202719 GEZOSLDVJDYXMH-MBNYWOFBSA-N 300.362 1.391 30 50 DDEA 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Cn1ncc(C#N)c1S(=O)(=O)NC(=O)[C@@H]1CCCCC1(C)C 2325841384 RNZHSKZQBUCEFV-NSHDSACASA-N 324.406 1.313 30 50 DDEA C#CCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O 4819464 REUOQSWDTXQCKV-ZRDIBKRKSA-N 318.354 1.786 30 50 DDEA CN(CCC#N)C(=O)CCN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 281857632 NYIDMIRWGDDGCO-JKSUJKDBSA-N 319.380 1.696 30 50 DDEA N#C[C@H]1CCCN(C(=O)c2cccc(-c3cnc(N)nc3)c2)C1 426477519 GHFNAIVZOAJGHE-GFCCVEGCSA-N 307.357 2.102 30 50 DDEA C=CCN(C(=O)[C@H]1CCCOC1)c1ncc(C(=O)OC)s1 170660788 IMGHVFKMCKYCSL-JTQLQIEISA-N 310.375 1.875 30 50 DDEA CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C#N)cc2)cs1 16648487 UIKIJZWMGGAHNC-UHFFFAOYSA-N 321.383 1.780 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@H](CNC(C)=O)C2)N=N1 952880332 FOSUMBPEDGPVBH-CQSZACIVSA-N 304.394 1.717 30 50 DDEA C=CCn1c(C)cn2c3c(=O)n(CCCC)c(=O)n(C)c3nc12 4251014 FEBFGKUIKBKYSH-UHFFFAOYSA-N 315.377 1.444 30 50 DDEA Cn1cc([C@H]2OCC[C@@H]2/N=C(/O)c2cn3ccccc3n2)cn1 328631661 RFYFEPNXSFYGRW-SWLSCSKDSA-N 311.345 1.903 30 50 DDEA Cc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 377669948 LMCAVKGGBCOLHM-AWEZNQCLSA-N 305.403 1.356 30 50 DDEA CN1CCN(Cc2ccccc2B2OC(C)(C)C(C)(C)O2)CC1 195918483 YYWYWLGKBKLRHM-UHFFFAOYSA-N 316.254 1.733 30 50 DDEA CC(=O)c1cnc(N2CCN(c3ncccc3C#N)CC2)nc1C 95354065 ILUUMJUBVSHDAB-UHFFFAOYSA-N 322.372 1.581 30 50 DDEA COCC[C@]1(CO)CCCN(C(=O)c2ccccc2C#N)C1 91270202 FEPJBDVCQYRJEU-QGZVFWFLSA-N 302.374 1.809 30 50 DDEA Cn1c(=O)nc(O)c2nc3cc(-c4ccc(C#N)cc4)oc3nc21 585152423 CJZSMGJKQFGANA-UHFFFAOYSA-N 319.280 1.714 30 50 DDEA CC[C@](C)(C#N)C(=O)Nc1cc(-c2cccnc2)nn1CCO 600123756 PGNVAUQFTBEJQR-MRXNPFEDSA-N 313.361 1.816 30 50 DDEA C=CCNC[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 12203541 PYRLTXODWRAYRQ-INIZCTEOSA-N 310.344 1.594 30 50 DDEA Cc1cc(N2CCC([C@@H]3CC[C@H](C(N)=O)O3)CC2)c(C#N)cn1 952890506 VLOHGNCYTYFJHA-JKSUJKDBSA-N 314.389 1.511 30 50 DDEA CCc1ccc(C(=O)N2CCO[C@H](c3nc[nH]n3)C2)cc1C#N 2325798100 MUNOEDMFATYKHY-AWEZNQCLSA-N 311.345 1.452 30 50 DDEA C#C[C@@H](NC(=O)c1cc2nccn2c(O)n1)c1ccc(F)cc1 2325879300 PZLQXMVLHNWQNT-GFCCVEGCSA-N 310.288 1.678 30 50 DDEA Cc1cc(=NC2CCN(Cc3ncc[nH]3)CC2)[nH]c(C)c1C#N 2356148808 UIANYBXJKGQPIP-UHFFFAOYSA-N 310.405 1.792 30 50 DDEA N#C[C@@H]1C(=O)NC(=O)[C@@H](C#N)C1(c1ccccc1)c1ccccc1 3132434 QULCWRSUJTZULH-HZPDHXFCSA-N 315.332 1.909 30 50 DDEA Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)c2ccco2)n1 4999316 AXJLXKBKUREJIO-UHFFFAOYSA-N 308.301 1.996 30 50 DDEA C=CCN1CC[C@@H](n2nc(CC)c(CC)c(C#N)c2=O)C1=O 280873314 BUMAFGMRXWZAQG-CQSZACIVSA-N 300.362 1.199 30 50 DDEA C=CCn1c(=N)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 100627426 BFBCKETWKDMXKD-UHFFFAOYSA-N 324.340 1.491 30 50 DDEA CCN(CC)c1ccc(/C=C2/C(=O)N=C(O)N/C2=N\N)cc1 25559190 KVXNYHZDYIHXPG-FMIVXFBMSA-N 301.350 1.232 30 50 DDEA COc1nc2ccn(CCCN3CCCC3)c(=O)c2cc1C#N 67771225 GGDMFBNTTHUKNJ-UHFFFAOYSA-N 312.373 1.763 30 50 DDEA Cc1nc(Cn2cc(/C(O)=N/C3(CCO)CCCC3)nn2)no1 329328173 UULCJNVYJPYGBH-UHFFFAOYSA-N 320.353 1.018 30 50 DDEA N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ncccn2)cc1 602897554 KVFRXYCINLROND-DOTOQJQBSA-N 324.384 1.925 30 50 DDEA CC(C)n1cc([C@@]2(O)CCN(c3cccc(F)c3C#N)C2)nn1 284450753 GMBOAXUPJNOALZ-MRXNPFEDSA-N 315.352 1.968 30 50 DDEA O=[S@+]1(O)C[C@@H]2NC(=S)N(Cc3ccc(F)cc3)[C@H]2C1 334158500 RQZZBMMJOPXDNG-QWRGUYRKSA-P 301.388 1.239 30 50 DDEA C=CC[C@@]1(C(=O)O)CCCN(c2cc(NCCO)ncn2)C1 91382185 PGJAIXFTZQRWJS-OAHLLOKOSA-N 306.366 1.128 30 50 DDEA C=CC[C@]1(CO)CCCN(C(=O)CN(C)Cc2ccncc2)C1 91254952 UMUUXVOVFTXFIX-SFHVURJKSA-N 317.433 1.691 30 50 DDEA C[C@@]1(C#N)CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)C1 595372568 UYLREAZDFSRDHZ-HNNXBMFYSA-N 306.387 1.936 30 50 DDEA O=C1COCCN1C/C(O)=N/[C@H]1COc2ccc(Cl)cc21 329861126 QAXUZRTWMCWQFB-NSHDSACASA-N 310.737 1.589 30 50 DDEA N#Cc1cnn(CC(=O)Nc2c[nH]nc2-c2ccccc2)c1N 1875332454 SDYMCHPBOZPXSK-UHFFFAOYSA-N 307.317 1.366 30 50 DDEA C=C1CC(CC(=O)N2CC[C@H](Cc3nn[nH]n3)C(F)(F)C2)C1 2325808002 QZKIYOHGBXOVIZ-LLVKDONJSA-N 311.336 1.582 30 50 DDEA CC1(C)OB(c2cc(F)ccc2CN2CCNCC2)OC1(C)C 170007401 QKTFHZQQPBTYII-UHFFFAOYSA-N 320.217 1.530 30 50 DDEA C=CCN1CCN(Cc2cc3ccc(OC)cc3[nH]c2=O)CC1 67817415 YNNWAVAGZLQISJ-UHFFFAOYSA-N 313.401 1.840 30 50 DDEA CC(C)N(CCOCCO)C(=O)Nc1ccc(F)cc1C#N 282966829 ANRFTFGODDTYRX-UHFFFAOYSA-N 309.341 1.949 30 50 DDEA C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H](C(N)=O)C1 284397812 IVJVOVXIPHTIED-NSHDSACASA-N 319.336 1.567 30 50 DDEA C[C@@]1(C#N)CCCN(C(=O)Cc2ccc(OCCN)cc2)C1 426662429 OMVUMTMFURJPPG-KRWDZBQOSA-N 301.390 1.719 30 50 DDEA C=CCn1c(CNC)nnc1S[C@@H](C)C(=O)NC1CCCC1 426547653 RREOTKCMWHSZRF-NSHDSACASA-N 323.466 1.723 30 50 DDEA Cc1ccc([C@]23O[C@@H]2C(=O)[C@@H]2[C@H]4C[C@@H]([C@@H]5O[C@@H]54)[C@H]2C3=O)cc1C 238901766 MNUNMXLALONTJK-LCDZOWDZSA-N 310.349 1.699 30 50 DDEA CC(C)C(=O)N1CCC[C@H](NCc2cc(C#CCO)cs2)C1 952972110 ZJHAWCPGHDNLKG-HNNXBMFYSA-N 320.458 1.829 30 50 DDEA CC(O)=Nc1ccn([C@@H]2CCN(c3ncnc4[nH]cnc34)C2)n1 328615704 YTPNHPHAZKBHSX-SNVBAGLBSA-N 312.337 1.609 30 50 DDEA COC(=O)C(C)(C)C/N=C(/O)N[C@@H]1CCO[C@H](C(C)C)C1 330637408 VQPUUBFVAYDQTL-NEPJUHHUSA-N 300.399 1.893 30 50 DDEA Cn1ccnc1C[C@H]1CCCN(C(=O)C2(C#N)CCOCC2)C1 120230148 RTZPGZKCBKBNOO-CQSZACIVSA-N 316.405 1.522 30 50 DDEA CCS(=O)(=O)C[C@H](C)/N=C(/O)N1CCOCC2(CCC2)C1 328587341 DYUGHTRLBKIACA-LBPRGKRZSA-N 318.439 1.226 30 50 DDEA CCn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/CCN1CCOCC1 328637511 VZZKBBIEWLSBFA-UKRRQHHQSA-N 322.409 1.269 30 50 DDEA CC(C)n1cnnc1CN(C)Cc1cc(C#CCO)cs1 828644602 KHWRMXOLWYFZMK-UHFFFAOYSA-N 304.419 1.896 30 50 DDEA C=CCN1C[C@@H](C)N(C(=O)C2CCN(C(=O)CC)CC2)C[C@H]1C 952961052 CTTFSROQXWGQDS-HUUCEWRRSA-N 321.465 1.742 30 50 DDEA CN1CCC[C@]2(C(=O)O)CCN(c3ccc(C#N)cn3)C[C@@H]12 1704306948 YKTDFOHBCGDIPU-CJNGLKHVSA-N 300.362 1.329 30 50 DDEA Cc1ccc(C(=O)C[n+]2ccc(/C(O)=N\CCCO)cc2)cc1 18203729 PYKSYGOCDHZOGT-UHFFFAOYSA-O 313.377 1.852 30 50 DDEA COc1cc(N2CCOCC2)ccc1B1OC(C)(C)C(C)(C)O1 203605210 HEKQJTIZWPXOGC-UHFFFAOYSA-N 319.210 1.831 30 50 DDEA CC(O)=Nc1ccn([C@@H]2CCN(C(=O)c3cccnc3O)C2)n1 328609625 FHGQNFAAPKYNDH-LLVKDONJSA-N 315.333 1.679 30 50 DDEA CC(C)N1C(=O)C[C@@H](/N=C(/O)c2snc(O)c2Cl)C1=O 328777661 LPFNPNMGEVMFBA-RXMQYKEDSA-N 317.754 1.343 30 50 DDEA C[C@H]1C(=O)NCCCN1C(=O)N[C@H](C)c1cccc(C#N)c1 253421457 WCQNDDXULWSEFK-NEPJUHHUSA-N 300.362 1.539 30 50 DDEA N#Cc1cn[nH]c1C(=O)N1C[C@@H](CO)Cc2cccc(F)c21 1875294499 UINMKXFWRLVBMT-VIFPVBQESA-N 300.293 1.232 30 50 DDEA N#C[C@@H]1CNC[C@@H]1NC(=O)c1c(C(F)F)nc2ccccn12 876802604 RCAPPCJVRMPKDH-BDAKNGLRSA-N 305.288 1.113 30 50 DDEA Cn1ccc(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 181451188 ZZHIVWYOBLQHID-QGZVFWFLSA-N 323.400 1.199 30 50 DDEA N#Cc1cnn2c(O)cc(CN3CC[C@@]4(CCCCO4)C3)nc12 2325784227 LDJOVAIMBNZLOZ-INIZCTEOSA-N 313.361 1.452 30 50 DDEA C=CCCO[C@H](C)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C 225617334 BJFMAONMBNSGNB-LSDHHAIUSA-N 310.438 1.679 30 50 DDEA N#Cc1ccc(OC[C@H](O)CS(=O)(=O)c2ccccc2)cc1 1399248 AYSBJDMUEFRQJN-AWEZNQCLSA-N 317.366 1.772 30 50 DDEA CC(O)=Nc1ccn([C@@H]2CCN(C(=O)[C@]3(C)CCCO3)C2)n1 328611489 LUNUIGLACMHGJN-DOMZBBRYSA-N 306.366 1.834 30 50 DDEA O=C1CC[C@@H]2CN(/C(O)=N/[C@H](C3CC3)C(F)(F)F)CCN12 329578714 TXGVRDYIPIRXEC-MWLCHTKSSA-N 305.300 1.548 30 50 DDEA O=C(NO)c1ccc(CC(=O)N(CCO)c2ccccc2)cc1 143186542 RFAZNTABYJYOAR-UHFFFAOYSA-N 314.341 1.374 30 50 DDEA in-vitro N#Cc1c[nH]c(C(=O)N2CCCO[C@@H](CN3CCCCC3)C2)c1 670467156 YHNDDWWNQJTTOC-HNNXBMFYSA-N 316.405 1.603 30 50 DDEA Cc1cc(C)c(C#N)c(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)n1 1704339188 DMDXVHHPDIGYCI-SJLPKXTDSA-N 314.433 1.853 30 50 DDEA CC1(C)CC(=O)C=C(NCCc2ccc(S(N)(=O)=O)cc2)C1 12384224 ZKDVRSAAMDHYLE-UHFFFAOYSA-N 322.430 1.739 30 50 DDEA Cc1ncc2c(c1C#N)CCN(C(=O)[C@@]1(C)CC13CCNCC3)C2 1857689745 KJOMWPOMHUMBGQ-GOSISDBHSA-N 324.428 1.926 30 50 DDEA CCN1CCN(/C(O)=N/CC[C@@H]2CCCO2)C[C@@H]1c1ncc[nH]1 328618888 FCSLDTJTSHAILR-UONOGXRCSA-N 321.425 1.571 30 50 DDEA C[C@H](Oc1cccc(C#N)c1)C(=O)N1CC(C)(C)[C@H]1C(=O)O 1875286099 FUQRVRQSYPVYNW-GXFFZTMASA-N 302.330 1.647 30 50 DDEA Cn1ccnc1[C@H]1CCCN1Cc1cc(O)n2ncc(C#N)c2n1 2325771736 LNXGXQCKXNFUQU-CYBMUJFWSA-N 323.360 1.377 30 50 DDEA Cn1ncc2c(N)nc(NCCOc3ccc(C#N)cc3)nc21 225512696 VZUGMFMZCQRXBJ-UHFFFAOYSA-N 309.333 1.308 30 50 DDEA C=CCc1ccc(OCCOCCNCCN(C)C)c(OC)c1 20418917 CQXALLGSJJUDFV-UHFFFAOYSA-N 322.449 1.970 30 50 DDEA CN(CC1CC1)C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 328640260 PYXRIGHPCVFYQH-HNNXBMFYSA-N 302.378 1.069 30 50 DDEA O/C(=N/[C@@H]1CCO[C@@H](C2CC2)C1)N1CCC[C@H]1Cn1ccnn1 329182372 NRWHTKKODZKXGB-QLFBSQMISA-N 319.409 1.614 30 50 DDEA Cn1cc(C#N)cc1C(=O)OC[C@H]1CNC(c2ccccc2)=NO1 132583715 AURZZTQGPOPAQD-CQSZACIVSA-N 324.340 1.404 30 50 DDEA COCCCn1nccc1CN1CCN(C2CC2)[C@H](C#N)C1 374898754 BRLMQDGRIXOHKT-MRXNPFEDSA-N 303.410 1.092 30 50 DDEA Cn1ccnc1CCNC(=O)c1ccc(C#CC(C)(C)O)cc1 222251870 KOHQIVYFYPGDQW-UHFFFAOYSA-N 311.385 1.515 30 50 DDEA C=CCN(Cc1ccncc1)C(=O)CCC1=NNC(=O)CC1 952869677 LEVNLKXQPFVXJS-UHFFFAOYSA-N 300.362 1.642 30 50 DDEA C=C(C)CNC[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 12195153 KYWMJZIBSHIBJJ-KRWDZBQOSA-N 324.371 1.984 30 50 DDEA CS/C(=N\C#N)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13138649 BGOVDQBUQRSQII-SQFISAMPSA-N 305.363 1.917 30 50 DDEA CC(C)[C@@H]1CN2C[C@H](NC(=O)c3cc(C#N)cn3C)C[C@H]2CO1 1857717524 XDVQNRFLHQODHE-YCPHGPKFSA-N 316.405 1.124 30 50 DDEA Cn1cc([C@@H]2CN(c3c(C#N)cccc3C#N)C[C@H]2CO)cn1 225517244 ZQYPRXYUZSFTMN-HOTGVXAUSA-N 307.357 1.376 30 50 DDEA Cc1cc(C#N)c(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)nc1C 1704325312 LSIXPDHEXTZETB-SJLPKXTDSA-N 314.433 1.853 30 50 DDEA C#CC[C@@H]1CCCN(c2nnnn2CC2(OC)CCOCC2)C1 952881014 XUZBUNUPIIMUBL-CQSZACIVSA-N 319.409 1.108 30 50 DDEA C=CC1(C(=O)NS(=O)(=O)CCOC(C)(C)C)CCOCC1 1875303654 HHQLDDJMFMTYHO-UHFFFAOYSA-N 319.423 1.230 30 50 DDEA C=CCn1c(S[C@@H](C)C(=O)N(C)C)nnc1C1CCNCC1 426700109 WGGZMASCVUPMSF-NSHDSACASA-N 323.466 1.500 30 50 DDEA C=CC[C@]1(CO)CCCN(C(=O)Cc2ccc(CO)cc2)C1 91619996 SYWBZILHNJSLKW-SFHVURJKSA-N 303.402 1.899 30 50 DDEA C[C@@H]1[C@H](c2ccccc2)C(C#N)(C#N)[C@@]2(C#N)C(=O)N[C@@]1(O)[C@@H]2C 239274966 AZXRGFZUTBOBIM-JVTPZNIGSA-N 320.352 1.418 30 50 DDEA N#Cc1cccc(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)c1 264594400 MDZFDVUBAMODON-OAHLLOKOSA-N 319.430 1.807 30 50 DDEA CN1CCCN(C)C2(CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 299779726 RLSVDXSECHSFMN-UHFFFAOYSA-N 315.421 1.128 30 50 DDEA CN(C(C)(C)C#N)S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 585129182 AJZNOFQFSZSTLT-UHFFFAOYSA-N 315.782 1.362 30 50 DDEA N#Cc1cc(N2CC[C@](O)(Cn3ccnn3)C2)nc2ccccc12 585788350 BYNWWBMWKGCGBJ-QGZVFWFLSA-N 320.356 1.339 30 50 DDEA C=CCn1cc2ccc(NS(=O)(=O)N3CCCC3)cc2n1 901964783 CZSOJNBXMGIUOU-UHFFFAOYSA-N 306.391 1.975 30 50 DDEA C#CCCC1(CCC(=O)NC2CCN(CCOC)CC2)N=N1 952880663 HVLMUOQQLPWZGL-UHFFFAOYSA-N 306.410 1.569 30 50 DDEA COCCn1c(CCN)nc2cc(C#Cc3ccccn3)ccc21 2325900576 ASFARKPQBFGDFT-UHFFFAOYSA-N 320.396 1.979 30 50 DDEA N=C(O)CN1C[C@@H](F)C[C@H]1C/N=C(/O)CCc1ccncc1 328603326 FRCYWFBGECGVQC-STQMWFEESA-N 308.357 1.918 30 50 DDEA C=CCN1CC[C@H](N(C)S(=O)(=O)CCC(C)(C)C)C1=O 330864839 URBQYIZLQCCECR-LBPRGKRZSA-N 302.440 1.471 30 50 DDEA N#Cc1cccc(/C=C/C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 172747296 FPPNMCWXJDWOKV-LAQIPUCWSA-N 311.385 1.505 30 50 DDEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)CCc2cnccn2)C1 91908097 CBMVKWWAEDGNCQ-MRXNPFEDSA-N 303.362 1.679 30 50 DDEA CNC(=O)ON=C(C(N)=O)P(=O)(OC(C)C)OC(C)C 254696358 OOVFTEBHKLDRHN-UHFFFAOYSA-N 309.259 1.184 30 50 DDEA Cc1cccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)N)C2)c1C#N 272568641 KVEYPKMAZCWTQP-CHWSQXEVSA-N 307.419 1.615 30 50 DDEA N#CCc1ccc(OC[C@@H](O)CN2CCn3cncc3C2)cc1 595493724 IJRLRFSPHTWUQE-INIZCTEOSA-N 312.373 1.205 30 50 DDEA COCCOc1ccccc1CN1CCN(C2CC2)[C@@H](C#N)C1 371326358 IKLRCSGQTQPBTD-KRWDZBQOSA-N 315.417 1.884 30 50 DDEA Cc1ccc(C(=O)ON2C(=O)CCC2=O)cc1Br 2551978 WKJCOXJDBRXHOK-UHFFFAOYSA-N 312.119 1.978 30 50 DDEA CCO/N=C/[C@H]1C(=O)CC(C)(C)[C@](Cl)(C(=O)OC)C1=O 103542180 SIWQFKOPRRMTNM-TWZIIJRMSA-N 303.742 1.344 30 50 DDEA N#Cc1cccc(C2(NC(=O)C3CN(CC(F)F)C3)CC2)c1 357306909 QPQCYVHNPZWFIZ-UHFFFAOYSA-N 305.328 1.860 30 50 DDEA CO[C@@H]1C[C@H](c2nc(C)no2)N(CC(O)=Nc2nncs2)C1 328618483 DSKSDWSXIJLKFC-RKDXNWHRSA-N 324.366 1.280 30 50 DDEA C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CC(=O)Nc2ccc(C#N)cc21 333879505 RFVCWYQXWPJTQZ-ZWNOBZJWSA-N 311.341 1.849 30 50 DDEA Cc1cc(N2CC[C@@H]3OCc4cnnn4[C@H]3C2)nc(C)c1C#N 299784288 NOZTWNWECOEVLZ-GJZGRUSLSA-N 310.361 1.512 30 50 DDEA CC#CC(=O)N(C)Cc1nnc2n1CCC[C@H]2C(F)(F)F 1347782180 VGJWZNNVJCWDQT-SECBINFHSA-N 300.284 1.700 30 50 DDEA CN(CC1CC1)C[C@@H]1CN(C(=O)c2cccc(C#N)c2)CCO1 328651449 VXHCIVIRTPPCBX-QGZVFWFLSA-N 313.401 1.741 30 50 DDEA C=C(C)[C@@H]1OCC[C@@H]1C(=O)NS(=O)(=O)c1cc(C)oc1C 1875284546 YZUPDHSFKBDTJI-AAEUAGOBSA-N 313.375 1.683 30 50 DDEA CN(Cc1cc(O)n2ncc(C#N)c2n1)CC1CC(F)(F)C1 2325772023 MTMXNOSLSFFRQK-UHFFFAOYSA-N 307.304 1.784 30 50 DDEA C#C[C@@]1(O)CCC[C@@H](NC(=O)c2cn(C)nc2C(F)(F)F)C1 2325782290 LDXANUQHBFMGIX-NOZJJQNGSA-N 315.295 1.476 30 50 DDEA N#Cc1cnn2c(O)cc(CN3CC[C@]4(CCCCO4)C3)nc12 2325784228 LDJOVAIMBNZLOZ-MRXNPFEDSA-N 313.361 1.452 30 50 DDEA N#C[C@H]1COCCN1C(=O)c1ccc(OC2CCOCC2)cc1 332160753 YTTXLZOUFMXQOB-AWEZNQCLSA-N 316.357 1.609 30 50 DDEA COc1ccc(C#N)cc1CN1CCC[C@@H]1[C@@H]1COCC[C@H]1O 253395677 FRFVFVAGCFHWBG-GVDBMIGSSA-N 316.401 1.929 30 50 DDEA Cc1cc(NC(=O)Cc2ccc3c(c2)NC(=O)C3)n(CCC#N)n1 253427330 YGTZAWQTXGGNMY-UHFFFAOYSA-N 323.356 1.781 30 50 DDEA C=CCN(Cc1ccsc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 820466567 JTLJGBJMGJAMHN-GFCCVEGCSA-N 314.432 1.633 30 50 DDEA N#Cc1cc2n(n1)CCCN(Cc1noc([C@H]3CCCO3)n1)C2 670443568 FXYRFLOVNVDTEO-CYBMUJFWSA-N 314.349 1.395 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@@H](N3CCCC3=O)C2)N=N1 952881595 OKUIAEINTFSLQO-CQSZACIVSA-N 316.405 1.956 30 50 DDEA C#CCCC1(CCNC(=O)c2cc3c(cnn3C)nc2C)N=N1 2325891479 JHVNSWPESLGFTG-UHFFFAOYSA-N 310.361 1.972 30 50 DDEA Cc1cccc(Nc2nc3c(c(=O)[nH]c(=O)n3C)n2CCC#N)c1 8462767 WBINROOEQIPPNM-UHFFFAOYSA-N 324.344 1.389 30 50 DDEA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2ccc(F)c(C#N)c2)C1 284643116 OTOPOMBCOUXUKU-OCCSQVGLSA-N 301.325 1.777 30 50 DDEA COc1ccc(C#N)cc1CN1CCC[C@](O)(c2cnn[nH]2)C1 583618008 UCJCEBQNAUNPSV-MRXNPFEDSA-N 313.361 1.169 30 50 DDEA N#Cc1cc2c(nc1N1CC[C@@](O)(Cn3ccnn3)C1)CCCC2 585789300 ZWXPXYYJEOBORJ-KRWDZBQOSA-N 324.388 1.065 30 50 DDEA C=CCCS(=O)(=O)N[C@@H]1CCCO[C@H]1c1cnn(CC)c1 1615604683 DDPWERWSESKCJU-KGLIPLIRSA-N 313.423 1.619 30 50 DDEA CCOCC/N=C(/O)N1CC[C@H](n2ccc(N=C(C)O)n2)C1 328620899 HJROQQHBCUJMOF-LBPRGKRZSA-N 309.370 1.688 30 50 DDEA C#CCCC1(CCC(=O)NCc2nnc3n2CCCC3)N=N1 952882656 WRLJBKICEVCPKW-UHFFFAOYSA-N 300.366 1.586 30 50 DDEA Cn1cnnc1C[C@]1(O)CCCN(c2cccc(F)c2C#N)C1 886065724 RQZZRGMPMQCBEY-MRXNPFEDSA-N 315.352 1.400 30 50 DDEA CC(=O)/C=C/C(=O)N1CSC[C@H]1C(=O)Nc1cccc(F)c1 1776006036 LWFKKKFSFMABDJ-GFUIURDCSA-N 322.361 1.811 30 50 DDEA C#CCCC1(CCC(=O)NCc2cnc(CC)[nH]c2=N)N=N1 2325886382 ULDOACSKNFUXHJ-UHFFFAOYSA-N 300.366 1.423 30 50 DDEA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C#N)C1 6746414 HLFBRKDPXSSSIN-CYBMUJFWSA-N 321.402 1.558 30 50 DDEA CN(C)/C=C/C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8855481 SXDFWTGGJBRLLX-AATRIKPKSA-N 305.334 1.689 30 50 DDEA CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C[C@H](O)Cc2ccccc21 332659173 ATGQLWIFWVMBEN-SIIHOXLZSA-N 315.417 1.853 30 50 DDEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2ocnc2c1 390835898 ROEABBDEFCLFFU-UHFFFAOYSA-N 303.123 1.914 30 50 DDEA N#Cc1ccccc1OCCN1CCC[C@@](O)(c2cnn[nH]2)C1 583618013 UKJBEQAGWJYIPJ-INIZCTEOSA-N 313.361 1.039 30 50 DDEA CCc1nc(C#N)cc(N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)n1 585098823 FKIUFCCAHADNMZ-UKRRQHHQSA-N 310.405 2.467 30 50 DDEA N#Cc1nn(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] 585133104 SVGAEMMLCJPLMC-WCQYABFASA-N 317.349 1.844 30 50 DDEA N#Cc1ccc(OCCNC(=O)N2C[C@@H](F)C[C@@H]2CO)cc1 347464950 PHCIIXAADVAOJR-QWHCGFSZSA-N 307.325 1.051 30 50 DDEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@H]2C(=O)O)s1 4196124 UQOFZBLKJFNIOI-NSHDSACASA-N 307.371 1.560 30 50 DDEA C[C@H](N[C@@H]1CCN(S(C)(=O)=O)C[C@H]1C)c1ccc(C#N)cc1 252677079 YBKNYUMIVUXZMD-DVOMOZLQSA-N 321.446 1.879 30 50 DDEA C[C@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CCCO1 366850637 UDJRPRJTJSNFQX-ZDUSSCGKSA-N 310.357 1.995 30 50 DDEA C=C(C)CS(=O)(=O)N(CCN1CCOCC1)c1ccccc1 184410932 ZQPBRTTXSCHXHW-UHFFFAOYSA-N 324.446 1.731 30 50 DDEA N#Cc1ccccc1C(=O)N1CCCO[C@H](CN2CCCC2)C1 221302018 XLEZDRUOQRIAAB-MRXNPFEDSA-N 313.401 1.885 30 50 DDEA COCc1cccc(C(=O)N2CCN(C(=O)CC#N)CC2)c1 288056286 FOPCZDFVCPGVFH-UHFFFAOYSA-N 301.346 1.031 30 50 DDEA O=[S@+]1(O)C[C@H]2NC(=S)N(c3ccccc3Cl)[C@H]2C1 334157934 USXYBSSFESIIPG-SCZZXKLOSA-P 303.816 1.758 30 50 DDEA CC(C)C[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)O 263024559 BGLNWZMDLLEIBL-LBPRGKRZSA-N 314.338 1.475 30 50 DDEA C[C@@H]1CN(C(=O)COc2ccc(C#N)cc2)C[C@@H](C)S1=O 331095801 AEANNSVKRQJGLZ-VXGBXAGGSA-N 306.387 1.305 30 50 DDEA Cn1ccnc1[C@H]1OCCC[C@@H]1/N=C(/O)CCn1ccnc1 330331019 NTBYWPXRCZTPFB-JSGCOSHPSA-N 303.366 1.884 30 50 DDEA Cc1cc(C#N)nc(N2CCNC(=O)[C@H]2CC2CCCCC2)n1 333839594 KWAJLTSJACGABO-OAHLLOKOSA-N 313.405 1.932 30 50 DDEA C[C@@H]1CN(c2ccc(C#N)cn2)CC[C@@]1(O)C1CCOCC1 91770517 WCTGUMBLYHDTRI-DYVFJYSZSA-N 301.390 1.957 30 50 DDEA CC1(C)OB(c2cccc(CN3CCC[C@@H](O)C3)c2)OC1(C)C 306252989 JADCBUXFXORHTH-MRXNPFEDSA-N 317.238 1.943 30 50 DDEA N#Cc1cc(F)ccc1S(=O)(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)O)C2 263463403 FHKNNUBIKBGMCT-TUAOUCFPSA-N 324.333 1.324 30 50 DDEA C#CCCC1(CCC(=O)N[C@@](C)(Cn2cccn2)C(=O)O)N=N1 952876522 UYFSYCVSEIFLKJ-AWEZNQCLSA-N 317.349 1.198 30 50 DDEA CO[C@@H]1CN(c2cccc(Cl)c2C#N)C[C@H]1c1cn(C)nn1 886079934 DLSOZCUMLYEBFU-XHDPSFHLSA-N 317.780 1.959 30 50 DDEA C=CCNC(=S)N/N=C(C)\C(C)=N/NC(=S)NCC=C 2325809511 CWEWDYJNVLVPRO-VULZFCBJSA-N 312.468 1.038 30 50 DDEA C[C@@H](Cn1cccn1)/N=C(/O)[C@@H]1CCO[C@H]1c1ccnn1C 328627528 MVNQWHOPSGDAJM-OUCADQQQSA-N 303.366 1.739 30 50 DDEA N#Cc1ccccc1/C=C/C(=O)N1CCN([C@@H]2CCOC2)CC1 370781371 YRIJKBQLDQTAOM-FUTAKVPZSA-N 311.385 1.505 30 50 DDEA Cc1ncc(Cn2cc(B3OC(C)(C)C(C)(C)O3)cn2)cn1 575442745 SDMGYOXDJWLPCR-UHFFFAOYSA-N 300.171 1.329 30 50 DDEA N#Cc1ccc(N2CCCN(CCO)CC2)c(Br)c1 134797043 CCHSYTNDWOSRMF-UHFFFAOYSA-N 324.222 1.825 30 50 DDEA CN(CCC#N)C(=O)CCN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 343573031 VCAPFTFFCATQJG-JKSUJKDBSA-N 319.380 1.696 30 50 DDEA Cc1ccnc(N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)n1 253392247 QNCLGFHVQAGNDT-SJCJKPOMSA-N 305.341 1.635 30 50 DDEA N#CCc1cccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)O)c1 905190653 XGVWUQISFGKMJY-ZDUSSCGKSA-N 322.386 1.771 30 50 DDEA CCN1C[C@H](CC(C)C)NC1=NCc1cn(C2COC2)nn1 1875407751 HCBMXNFSBSPDAZ-LBPRGKRZSA-N 306.414 1.045 30 50 DDEA COC[C@]1(C)CN(C(=O)Nc2cnc(C)c(C#N)c2)CCO1 2325763843 JTPAQABLRNONAF-HNNXBMFYSA-N 304.350 1.531 30 50 DDEA CCc1cnc(C/N=C(/O)N2CCCS(=O)(=O)CC2)s1 329005624 MSWFXOYMJOWSRW-UHFFFAOYSA-N 317.436 1.240 30 50 DDEA Cn1cnc(C(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)c1 363163564 ZAKXHROACWWRQC-CQSZACIVSA-N 309.373 1.691 30 50 DDEA C=CCCC(=O)N1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 285603101 UTVBQBGESHRIBM-ZDUSSCGKSA-N 312.410 1.063 30 50 DDEA N#Cc1cccc(-c2nnc(CN3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5O)o2)c1 333347589 VBIZJRIDPVMRJN-GFISCPRKSA-N 322.368 1.809 30 50 DDEA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2cccc(F)c2C#N)C1 284518168 LQLLGWZQFUIKFZ-LRDDRELGSA-N 317.364 1.913 30 50 DDEA C=C[C@H](C)[C@H](OCOC)[C@@H]1O[C@H]1C(=O)CO[C@H]1CCCCO1 257357966 RABFALAJFBIISA-YDMUCJKGSA-N 314.378 1.677 30 50 DDEA Cc1nnc(SCc2ccc(C#N)cc2F)n1CC(N)=O 170860847 VCXAHSNCWTUVRZ-UHFFFAOYSA-N 305.338 1.375 30 50 DDEA COc1cc(-c2cnc(N3CCC[C@H](O)C3)nc2)ccc1C#N 600791931 AZMOGOVSENXSHQ-HNNXBMFYSA-N 310.357 1.985 30 50 DDEA CN(C)CCc1nnc(NC(=O)c2cc(F)cc(C#N)c2)s1 1506399569 AQNMFNTVNNWRLH-UHFFFAOYSA-N 319.365 1.905 30 50 DDEA C=CCn1cc(CN(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)c(C)n1 1704327309 BMKYLRWLMWSCBK-IJEWVQPXSA-N 302.422 1.724 30 50 DDEA CCOC(=O)[C@H]1CCCN1CC(=O)Nc1oc(C)c(C)c1C#N 120307686 KFYRLCRFMPSMPD-CYBMUJFWSA-N 319.361 1.734 30 50 DDEA CC1(NC(=O)c2cnc[nH]2)CCN(c2ccncc2C#N)CC1 1875333858 OBDDWGDMPQWUDW-UHFFFAOYSA-N 310.361 1.465 30 50 DDEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(OC)c1O 170006960 YKHXEGBORBZRCH-UHFFFAOYSA-N 308.139 1.487 30 50 DDEA CO/C(O)=N/C1(C(=O)N2CCC[C@@](F)(CO)C2)CCCC1 328592995 ZSWFIBLIUFWNKR-ZDUSSCGKSA-N 302.346 1.183 30 50 DDEA N#Cc1ncn(CCNC(=O)N2C[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)n1 333531695 QGHFFVQFUFTDLN-XDQVBPFNSA-N 312.377 1.003 30 50 DDEA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2ccc(C#N)cc2F)C1 284600060 QXJLTPHOQGYDBU-BBRMVZONSA-N 317.364 1.913 30 50 DDEA CC(=O)N1CCCn2nc(CNc3ccc(C#N)cn3)cc2C1 82114811 ZAEARYZVGJVNTB-UHFFFAOYSA-N 310.361 1.514 30 50 DDEA CCOC(=O)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169747482 IWVRBFCAALMWBP-UHFFFAOYSA-N 306.167 1.928 30 50 DDEA in-vitro C=C[C@@H](C)NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 222254990 PYPDCHAWWZXLKI-CZUORRHYSA-N 303.406 1.627 30 50 DDEA CNC(=O)[C@H]1CCN(C(=O)c2cccc(C#CC(C)(C)O)c2)C1 1506404030 AQFOFCSVYXRGRH-HNNXBMFYSA-N 314.385 1.017 30 50 DDEA CCc1ncc(/C(O)=N/[C@H]2CCO[C@@H]2c2cnn(C)c2C)[nH]1 328615137 XTGYZQIDUYUUCS-SMDDNHRTSA-N 303.366 1.849 30 50 DDEA CNC(=O)C[C@@]1(O)CCCN(c2ccc(Cl)c(C#N)n2)C1 591620308 ICHXXWVTYRDVIC-AWEZNQCLSA-N 308.769 1.074 30 50 DDEA C=CC[C@@H](C(=O)NC[C@@H](O)[C@H]1COC(C)(C)O1)c1ccccc1 1775985222 SGEUMLJOIXIYFY-BZUAXINKSA-N 319.401 1.975 30 50 DDEA N#Cc1ccc(-c2cnc3c(N4CC[C@H](O)C4)nccn23)cc1 2356144741 KORVCUMBMZJQRK-AWEZNQCLSA-N 305.341 1.839 30 50 DDEA CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1cccc(C#N)c1 218042637 HRSPSAHHEVXIHB-CVEARBPZSA-N 317.389 1.024 30 50 DDEA C=C(C)CN(C)C(=O)c1ccc(S(N)(=O)=O)cc1Cl 241515750 OHRVMWTWRJAERA-UHFFFAOYSA-N 302.783 1.636 30 50 DDEA CCN([C@H](C)C(=O)O)S(=O)(=O)c1ccc(C#N)c(F)c1 899564475 IKPNRRRPNPMHDV-MRVPVSSYSA-N 300.311 1.181 30 50 DDEA C#CCCC1(CCNC(=O)c2nnn3c2CCCCC3)N=N1 2325900160 NFWWWROFYPLQKM-UHFFFAOYSA-N 300.366 1.700 30 50 DDEA CCN1CCN(/C(O)=N/C[C@@H]2CCCCO2)C[C@@H]1c1ncc[nH]1 328636656 VQCXAJTYGXWETE-UONOGXRCSA-N 321.425 1.571 30 50 DDEA C[C@H]1Oc2ccc(NC(=O)c3cc(C#N)cn3C)cc2N(C)C1=O 952979066 WSPHLXNRMAMWMG-SNVBAGLBSA-N 324.340 1.893 30 50 DDEA C=CCN1C(=O)C(=O)N(C[C@@H]2CCC3(CCCCC3)O2)C1=O 170604429 UDVDZXDLBDOMEX-LBPRGKRZSA-N 306.362 1.845 30 50 DDEA C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)OCC)[C@@H](O)c1ccncc1 585128889 QCEOGWLJLKMQTP-QEJZJMRPSA-N 320.389 1.765 30 50 DDEA O=[N+]([O-])c1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1 438361 UWKNTTUNLKIASF-GXDHUFHOSA-N 305.315 1.907 30 50 DDEA NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCCO 13569887 CEGXBVXZBLRDIZ-UHFFFAOYSA-N 315.398 1.705 30 50 DDEA CC1CCN(c2ccc(/C(O)=N/CCn3ncnn3)cn2)CC1 328746004 LBMDJVJLDXDFLC-UHFFFAOYSA-N 315.381 1.309 30 50 DDEA Cc1ccc(C#N)c(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)n1 1704297576 BTQPNNSLFOLZRR-NVXWUHKLSA-N 300.406 1.545 30 50 DDEA C#CCCC1(CCNC(=O)c2ncc(OC)nc2OC)N=N1 2325893544 CSSSYLBOPJTBQO-UHFFFAOYSA-N 303.322 1.189 30 50 DDEA C#CCOC(=O)CCCC(=O)Nc1ccc(C(=O)OC)cc1 2913569 NHRVVVLXFONXDX-UHFFFAOYSA-N 303.314 1.758 30 50 DDEA CCOC(=O)C(=O)Nc1c(C#N)c(CC#N)nn1-c1ccccc1 71770371 PPWDVWNPEJEQRF-UHFFFAOYSA-N 323.312 1.312 30 50 DDEA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2ncccc2C#N)C1 284455612 GXZFHWPFDHUCQG-KBPBESRZSA-N 300.362 1.169 30 50 DDEA CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(F)c(C#N)c2)N(C)C1 284870192 DVQHLBHEFYIQNG-KBPBESRZSA-N 305.353 1.488 30 50 DDEA Cc1cccc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)N)c1C#N 272416907 AUDGKXRXUPDLSM-JSGCOSHPSA-N 307.419 1.757 30 50 DDEA C=CCCn1cc(C(=O)N2C[C@@H](C)O[C@]3(CCCOC3)C2)nn1 582118136 ZRBWHBGLDRNJCL-CZUORRHYSA-N 320.393 1.264 30 50 DDEA C#CCCCC(=O)n1c2ncc(Br)cc2c(=O)n1C 585124368 AEQWOFPGUNYGDI-UHFFFAOYSA-N 322.162 1.941 30 50 DDEA O=C([C@H]1CO1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 1875373147 VBLRYOFPWPVNJS-QWHCGFSZSA-N 317.320 1.862 30 50 DDEA C#CCCC1(CCC(=O)N2CCNC[C@H]2c2nccn2C)N=N1 2325899404 BYAYPKUQMPJXCA-ZDUSSCGKSA-N 314.393 1.249 30 50 DDEA C#CCN1CC(=O)N(COC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C1=O 5159050 VPRAQYXPZIFIOH-OCCSQVGLSA-N 318.373 1.623 30 50 DDEA biogenic,in-man COc1ccc(C(=O)/C(Cl)=C/C(=O)N2CCOCC2)cc1 5670372 RUHPAWWOECXXAT-RAXLEYEMSA-N 309.749 1.859 30 50 DDEA CCN1CCN(C(=O)c2cc(C#N)cn2C)C[C@@H]1c1ncc[nH]1 328642248 YJFWLWYTNMRGJZ-CQSZACIVSA-N 312.377 1.139 30 50 DDEA C#CCCOCC(=O)NS(=O)(=O)Cc1cc(C)ccc1C 1875320138 IDOKVLWMKPBYRG-UHFFFAOYSA-N 309.387 1.289 30 50 DDEA C#CCn1cc(NC(=O)c2cnn(-c3ccncc3)c2C)cn1 1875309481 YGJYIUKEGYNFDH-UHFFFAOYSA-N 306.329 1.658 30 50 DDEA CC1(C)OB(c2cc(S(N)(=O)=O)ccc2Cl)OC1(C)C 307748040 AOBGSRBTKJIYSE-UHFFFAOYSA-N 317.603 1.287 30 50 DDEA C=CCN(CC=C)C(=O)CN1CCN(c2ncccc2C)CC1 65407692 ZQMJBAJTKIGBTB-UHFFFAOYSA-N 314.433 1.713 30 50 DDEA CCC[C@]1(N/C(O)=N/[C@@H]2CCc3nc(C)nn3C2)CCOC1 329452416 PBXHZEPQUHUGQL-DOMZBBRYSA-N 307.398 1.364 30 50 DDEA CC(C)(C)[C@@H](C#N)NC(=O)COCC(=O)N[C@@H](C#N)C(C)(C)C 122386351 IGZSLPYBKGUIJX-TXEJJXNPSA-N 322.409 1.112 30 50 DDEA N#Cc1ccsc1N1CC[C@H](N[C@@H]2CCO[C@H]2C2CC2)C1=O 333686390 AKZMJQRQPWHLSZ-RDBSUJKOSA-N 317.414 1.882 30 50 DDEA N#Cc1nccnc1NC1CCN(C(=O)c2ccncc2)CC1 263775383 HUYLANWIQVIOQS-UHFFFAOYSA-N 308.345 1.460 30 50 DDEA N#Cc1c[nH]c(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c1 223138059 VLBQZBQNTXUMOO-ZIAGYGMSSA-N 312.329 1.248 30 50 DDEA C=CCCN1CC[C@@H](O)[C@]2(CCCN(C(=O)COC(C)C)C2)C1 1857691974 JCTLXNBNFXBBDV-SJLPKXTDSA-N 324.465 1.663 30 50 DDEA N#Cc1cnc(N[C@@H]2CCN(C3CCOCC3)C2=O)c(Cl)c1 373858906 JRAPIDATENTOPZ-CYBMUJFWSA-N 320.780 1.798 30 50 DDEA N#CCc1cccc2c1CCN(C(=O)NCCc1cnccn1)C2 585123286 XHSGGIVWBILXPI-UHFFFAOYSA-N 321.384 1.853 30 50 DDEA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2ccccc2C#N)C1 591632981 ZGAOISPTAYSGJX-KRWDZBQOSA-N 301.390 1.363 30 50 DDEA CNC(=O)C[C@@]1(O)CCCN(c2ccc(Cl)cc2C#N)C1 591622776 YFNPMHRSPWGSOZ-HNNXBMFYSA-N 307.781 1.679 30 50 DDEA C#CCCC1(CCC(=O)N2CCN(c3ncccn3)CC2)N=N1 952879520 FGNPHAKQEKULEK-UHFFFAOYSA-N 312.377 1.481 30 50 DDEA O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[C@H]1CO1 1875372511 HGMHBDGBMXDCKO-TZMCWYRMSA-N 315.291 1.922 30 50 DDEA CCc1nn(Cc2cccc3nccn23)c(=O)c(C#N)c1CC 1775991230 IQHNMGLPBUDZPW-UHFFFAOYSA-N 307.357 1.936 30 50 DDEA C#CCCC1(CCNC(=O)Cc2nnn(C(C)(C)C)n2)N=N1 2325887445 SBBIZRCFLZSHRU-UHFFFAOYSA-N 303.370 1.052 30 50 DDEA C#CCCC1(CCNC(=O)c2cc(CN)ccc2OC)N=N1 2325901181 WYYFXJNDYQHMGH-UHFFFAOYSA-N 300.362 1.849 30 50 DDEA O=C1[C@H](/N=C(/O)[C@H]2CCc3c[nH]nc3C2)CN1c1ccccc1 329462442 QCLOPWKFUBMOJZ-XHDPSFHLSA-N 310.357 1.887 30 50 DDEA CN(Cc1ncccn1)[C@@H]1CCN(c2c(C#N)cccc2C#N)C1 368935024 ZAVWYINJYSJELW-MRXNPFEDSA-N 318.384 1.931 30 50 DDEA CC1(C)OB(c2cnc(NCC(F)(F)F)nc2)OC1(C)C 169904987 CLROMBSCGHZMME-UHFFFAOYSA-N 303.093 1.750 30 50 DDEA in-vitro Cc1cc(NC(=O)[C@H]2CCCO[C@H]2C(C)C)nn1CCC#N 408474394 UWAOYNQOSNHXTD-ZFWWWQNUSA-N 304.394 2.495 30 50 DDEA OC[C@]1(c2ccccc2)CCN(/C(O)=N/[C@@H]2[C@H]3COC[C@H]32)C1 329819681 PFBFWKVOEZNQSC-HWMZRRJGSA-N 302.374 1.181 30 50 DDEA CC(C)n1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 265052409 QCHDNYMGERGTMS-UHFFFAOYSA-N 324.388 1.693 30 50 DDEA CCn1nc(C(=O)N2CC(O)(CC#N)C2)c2c1[C@H](C)O[C@H](C)C2 1875403914 KSBXLPJBUNQEMB-MNOVXSKESA-N 318.377 1.026 30 50 DDEA Cc1ocnc1/C(O)=N/C[C@@H]1C[C@H](F)CN1c1cccnn1 328631598 KSRWQILKJOHKCF-QWRGUYRKSA-N 305.313 1.695 30 50 DDEA N#Cc1ccc(N2CCC[C@@H](CNC(=O)c3ccon3)C2)nc1 826785482 ZSBRJCOAWCSSAE-ZDUSSCGKSA-N 311.345 1.588 30 50 DDEA CN1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1=O 408327570 CDVKJAFMICZCCB-UHFFFAOYSA-N 309.373 1.720 30 50 DDEA CCO[C@H]1C[C@](O)(CNC(=O)c2ccc(C#N)cc2)C1(C)C 191789764 OSEXKZRNUZHQLU-YOEHRIQHSA-N 302.374 1.854 30 50 DDEA C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CC(O)(c2cccnc2)C1 2325802598 PJTHKBPAIUEXIO-CYBMUJFWSA-N 323.352 1.451 30 50 DDEA CCN1CCN(CCOCCOc2ccccc2C#N)CC1 20390222 NEXMCCIWZJGQLN-UHFFFAOYSA-N 303.406 1.591 30 50 DDEA N#CC1(F)CCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 359347970 JHCHRYKQPDHOSM-CQSZACIVSA-N 309.385 1.484 30 50 DDEA N#Cc1cccc(C#N)c1N1CCC(C(=O)N2CCOCC2)CC1 241684901 QGFJSSUJMOABFQ-UHFFFAOYSA-N 324.384 1.505 30 50 DDEA C=CCNC(=O)CCN1CCN(c2ccccc2)C(=O)[C@@H]1C 244708289 KRBSGFNDYNLRQJ-AWEZNQCLSA-N 301.390 1.416 30 50 DDEA Cc1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)ccn1 1411243173 FWPOMWVNLPAENV-UHFFFAOYSA-N 312.333 1.074 30 50 DDEA COCCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 169746071 GNJHHGGRMLSKNG-UHFFFAOYSA-N 305.183 1.362 30 50 DDEA in-vitro N#Cc1ccc(NCC(=O)NCCCOc2ncccn2)cc1 585127254 VCEGQAHLNYEEHJ-UHFFFAOYSA-N 311.345 1.345 30 50 DDEA CC(C)(C#N)CS(=O)(=O)NC(=O)c1cc(F)cc(F)c1 776145769 HIVHSUFJWYZJDY-UHFFFAOYSA-N 302.302 1.574 30 50 DDEA CC1(C)OB(c2cnn3cc(Br)cnc23)OC1(C)C 1772572631 CTHPBPQKSHOEQL-UHFFFAOYSA-N 323.987 1.791 30 50 DDEA C=CCN1C(=O)/C(=C/c2ccccc2OC)C(=O)NC1=S 2493566 AGQSVRPCZUGXIJ-PKNBQFBNSA-N 302.355 1.508 30 50 DDEA CC(O)=Nc1ccn([C@H]2CCN(C(=O)c3cccnc3O)C2)n1 328609626 FHGQNFAAPKYNDH-NSHDSACASA-N 315.333 1.679 30 50 DDEA Cc1ccc(C(=O)N2CC[C@@H](C)S(=O)(=O)CC2)cc1C#N 374206150 RJTVEMOJLRFJGT-GFCCVEGCSA-N 306.387 1.516 30 50 DDEA N#Cc1cccnc1N1CCCN(Cc2cnn3c2CCC3)CC1 1776007326 FPVNILLXQKHUJJ-UHFFFAOYSA-N 322.416 1.808 30 50 DDEA N/C(=N\OCc1cccc(C(F)(F)F)c1)c1nonc1N 4141948 TVODKKOVVLUHFE-UHFFFAOYSA-N 301.228 1.508 30 50 DDEA Cc1cccc(S(=O)(=O)N2CC=CC[C@@H]2C(=O)O)c1C#N 2325790311 DJNVANFTWPFZOA-GFCCVEGCSA-N 306.343 1.271 30 50 DDEA Cc1n[nH]c(N/N=C/c2cccc(Br)c2)nc1=O 3945105 JBLGRZRNOILJGD-AWNIVKPZSA-N 308.139 1.682 30 50 DDEA C=CCN(Cc1cccc(OCC)c1)C(=O)C[C@@H]1CNCCO1 55283171 DIJWHFGQKBUSTA-QGZVFWFLSA-N 318.417 1.978 30 50 DDEA O/C(=N/CCNc1cc(N[C@@H]2CCCOC2)ncn1)C1CC1 328632220 LEJKTLMNXIYGSW-GFCCVEGCSA-N 305.382 1.846 30 50 DDEA COCC#CCSc1nnc2n(C)c(=O)c3ccccc3n12 677131928 ULBBKNWGHMQKIG-UHFFFAOYSA-N 314.370 1.323 30 50 DDEA CO[C@H]1C[C@@H](CNc2cnccc2C#N)N(c2cc(C)ncn2)C1 952851128 UYSTXYMUOCNLSP-GJZGRUSLSA-N 324.388 1.758 30 50 DDEA CC(=O)N1CCO[C@@H]2CCN(c3ccc(C#N)cc3F)C[C@@H]21 886051499 GYWHTJGTXZSLCF-JKSUJKDBSA-N 303.337 1.523 30 50 DDEA Cc1ccc(-c2nc(C(N)=NO)c(N3CCOCC3)o2)cc1 2050024809 AEBQMCLOWYCGAT-UHFFFAOYSA-N 302.334 1.581 30 50 DDEA C=CCc1cc(C=C2C(=O)NC(=O)NC2=O)cc(OC)c1OC 2829208 QVOAEQINMXBFIO-UHFFFAOYSA-N 316.313 1.182 30 50 DDEA CC#CC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 252486020 HHDWOUYJTHPDKF-UHFFFAOYSA-N 319.836 1.992 30 50 DDEA N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1c1nc[nH]n1 181178188 GRQNWGHJWICWCS-ZDUSSCGKSA-N 311.345 1.809 30 50 DDEA COc1ccc(F)cc1C(=O)N1CCn2nc(C#N)cc2C1 584895604 KCXKVVAVUMOMDF-UHFFFAOYSA-N 300.293 1.558 30 50 DDEA CNC(=O)[C@H](CO)Nc1cc(C#N)c2cc(Cl)ccc2n1 170595676 YBCWNDZWSPZRGJ-LBPRGKRZSA-N 304.737 1.279 30 50 DDEA COC(=O)CN1CCC[C@@H](COc2ccc(C#N)cc2OC)C1 1875246320 LMOTUBLKRVHCDB-CQSZACIVSA-N 318.373 1.831 30 50 DDEA C[C@H](CCS(C)(=O)=O)NC(=O)NCCc1cccc(C#N)c1 252491523 LNWGXBFCMLCZFP-GFCCVEGCSA-N 323.418 1.223 30 50 DDEA Cc1c(C#N)c(N2CCN3CCOC[C@@H]3C2)nc2ccccc12 570132055 RCHCYBSVOAFXSZ-AWEZNQCLSA-N 308.385 1.936 30 50 DDEA C#CCCC1(CCNC(=O)[C@H]2CCCN2c2cnccn2)N=N1 2325891483 KCZUWSAUEAPURU-CYBMUJFWSA-N 312.377 1.527 30 50 DDEA C=CCN1C(=S)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]21 4140704 MRYKSDXQGJVVEE-CHWSQXEVSA-N 308.428 1.445 30 50 DDEA COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)/C=C/c1cccc(C#N)c1 111142298 IJULPKDLCCFAKM-WLBISTCBSA-N 314.341 1.360 30 50 DDEA O=C(CO/N=C1\CCCc2nonc21)NCc1ccc(F)cc1 4727264 SBCPNUDDWPPQSY-LDADJPATSA-N 318.308 1.582 30 50 DDEA N#Cc1cccc(CN2CCN(c3ccncc3)C[C@@H](O)C2)c1 217808123 NQQZCVKVFDHCIV-SFHVURJKSA-N 308.385 1.636 30 50 DDEA CCc1cnc(N)nc1N1CCN(Cc2ccccc2C#N)CC1 95370670 UZUYZKAXNPCVNF-UHFFFAOYSA-N 322.416 1.815 30 50 DDEA CC#CC(=O)N[C@@H](CCC)C(=O)N1CCc2sccc2C1 278921628 RWSJDRKEVXUCOC-ZDUSSCGKSA-N 304.415 1.941 30 50 DDEA C=CCc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)cc(OC)c1O 15723114 VWMGWNBHJCESDR-XFFZJAGNSA-N 316.313 1.221 30 50 DDEA CC(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(C)cc1 19808825 MUADLIMMTRKXGR-HNNXBMFYSA-N 302.374 1.841 30 50 DDEA O=C1C=CC(=NOS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C=C1 3095585 BYWLNDVIUQPDKF-UHFFFAOYSA-N 308.271 1.351 30 50 DDEA C=CCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CC)c1=N 100627711 WZFFEAVDPLWKPJ-UHFFFAOYSA-N 323.356 1.064 30 50 DDEA Cn1cc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)c2cscn2)cn1 328656004 YXVMAKYKYMGAEA-RYUDHWBXSA-N 323.397 1.794 30 50 DDEA Cc1ccc(O[C@@H]2CCN(C(=O)C3(C#N)CCOCC3)C2)cn1 365522856 NDGRTDMISHPXEV-OAHLLOKOSA-N 315.373 1.690 30 50 DDEA CCCC(=O)N1CCN(Cc2ccccc2C#N)C[C@@H](O)C1 97553273 DDADEOVEGXZNNI-MRXNPFEDSA-N 301.390 1.363 30 50 DDEA Cc1nn(C(C)C)c(C)c1C(=O)N1CCn2nc(C#N)cc2C1 426504455 GZJSRKRVIUXHOU-UHFFFAOYSA-N 312.377 1.805 30 50 DDEA N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CCCCN2)c(F)c1 237708460 SWEFOJBKWQTXBZ-JTQLQIEISA-N 315.345 1.257 30 50 DDEA N#Cc1cccc(N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)n1 244691775 JJDVERCVHLSKEA-UKRRQHHQSA-N 323.356 1.036 30 50 DDEA COCCCN1CC[C@@H](CNC(=O)c2ccccc2C#N)C1 299772067 YSVXWZMGCGNUKT-AWEZNQCLSA-N 301.390 1.646 30 50 DDEA N#Cc1ccc(S(=O)(=O)N2CCS[C@H]2C(F)(F)F)cn1 585129343 GEUVRQRGAPUJGO-VIFPVBQESA-N 323.321 1.579 30 50 DDEA CNC[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1Cl 127047304 XUNYZNFOZNTBJM-LLVKDONJSA-N 313.810 1.584 30 50 DDEA CC(=O)NCc1c[nH]nc1[C@H]1CCN(c2ncccc2C#N)C1 952849005 DTEUDKSCUWHTBA-ZDUSSCGKSA-N 310.361 1.306 30 50 DDEA N#Cc1cc(C(=O)NCCc2cnn(-c3ccccc3)n2)ccn1 1875379002 KATNUGAPFGBOOP-UHFFFAOYSA-N 318.340 1.506 30 50 DDEA C=CCC1(C(=O)N[C@H](C)Cn2cc(Cn3cccc3)nn2)CC1 1875324004 YHWPUTOMILNTTF-CQSZACIVSA-N 313.405 1.989 30 50 DDEA O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@@H]1CO1 1875373239 WPYQDRPOWLJAIH-CABZTGNLSA-N 300.280 1.799 30 50 DDEA C[C@H](CNCc1ccc(C#Cc2cn[nH]c2)cc1)S(C)(=O)=O 1775985138 NIRIGVYJNCJTHK-CYBMUJFWSA-N 317.414 1.332 30 50 DDEA N#Cc1c[nH]c(C(=O)NCC2(C(=O)O)CC3(CC(F)(F)C3)C2)c1 2325821325 FJAMHYUOUJPUAD-UHFFFAOYSA-N 323.299 1.896 30 50 DDEA C#CCCC1(CCC(=O)N[C@H](C)c2nc([C@H](C)O)n[nH]2)N=N1 2325894971 CLLLLXHNQIKXGU-ZJUUUORDSA-N 304.354 1.391 30 50 DDEA CCOC(=O)Cn1cnc2c(C#N)c3n(c2c1=O)CCCCC3 1225638 RYSXDBRGNJMEIE-UHFFFAOYSA-N 314.345 1.359 30 50 DDEA C=CCOc1ccc(C(=O)NCc2nnc(N)o2)cc1OC 225426427 ILZYOPAIUFJNMN-UHFFFAOYSA-N 304.306 1.155 30 50 DDEA CC#CCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 225657614 NIDXLWPHTWVLOR-UHFFFAOYSA-N 321.807 1.045 30 50 DDEA C[C@H](CC#N)OC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 113691493 XUDIGQGQKWSDDJ-MRVPVSSYSA-N 303.343 1.681 30 50 DDEA C=CCn1cc(CN2CCC[C@@H](C(=O)NCCCO)C2)c(C)n1 55061182 PDXCSCQPAJYOAX-OAHLLOKOSA-N 320.437 1.088 30 50 DDEA C#CCN1CCN(C(=O)c2ccc(OC)cc2OCC=C)CC1 126035595 WSTOULANUFPKMM-UHFFFAOYSA-N 314.385 1.651 30 50 DDEA O=S1(=O)CC[C@H](/C(O)=N/[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 328811380 FIFIFLNFOHTQEX-RVMXOQNASA-N 313.419 1.725 30 50 DDEA C=CCn1c(CNC)nnc1SCc1ncccc1OC 426383826 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C/N=C(/O)[C@@H]1CN(C(=O)c2ccnc3ccncc23)CCO1 329387138 QUDOWYARPLTHDB-ZDUSSCGKSA-N 300.318 1.057 30 50 DDEA N#Cc1cnc(N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)cn1 343241030 HWSMZXTWHZBEPG-FZMZJTMJSA-N 302.284 1.939 30 50 DDEA COc1cc2c(cc1OC)[C@@H](C1CC1)N(C(=O)[C@@H]1CO1)CC2 1875373195 VWFLXIHIBZFADN-JKSUJKDBSA-N 303.358 1.938 30 50 DDEA COC(=O)[C@H](CS)NC(=O)c1ccc(Br)cc1 1848349799 QLAHQHTYCQKQLI-VIFPVBQESA-N 318.192 1.650 30 50 DDEA CN1/C(=N/NS(=O)(=O)c2ccccc2)Cc2ccccc21 4773333 DJEYVFWEDYFXIB-FOCLMDBBSA-N 301.371 1.971 30 50 DDEA CC(C)[C@@H](/N=C(/O)CCc1cnc[nH]1)C(=O)N1CCOCC1 329369986 INDOBNRLERXRTI-CQSZACIVSA-N 308.382 1.182 30 50 DDEA C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)NCc2ccc(C#N)c(F)c2)C1 263373705 WDVWFVFUKKCCDK-ZWNOBZJWSA-N 319.336 1.950 30 50 DDEA O=[S@+]1(O)C[C@@H]2NC(=S)N(c3cccc(Cl)c3)[C@H]2C1 334157910 AQSOUMHJVPOWBF-UWVGGRQHSA-P 303.816 1.758 30 50 DDEA C[C@]1(C#N)CCCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C1 670451679 KQUQUPOMZNCQRY-MRXNPFEDSA-N 320.414 1.785 30 50 DDEA C=CCC(O)(CC=C)CNC(=O)c1cn(C[C@H]2CCCO2)nn1 12003546 LPLQGMLCGFLKNU-CYBMUJFWSA-N 320.393 1.070 30 50 DDEA N=C(O)C1(C/N=C(/O)c2cccn3c(O)nnc23)CCCC1 329097503 LQBWXSCWBNQYTN-UHFFFAOYSA-N 303.322 1.835 30 50 DDEA C[C@H](/N=C(/NCCCCC#N)NC[C@H]1CCCO1)[C@H]1CCCO1 253415939 MYDGSBNRFCRPMH-ARFHVFGLSA-N 322.453 1.962 30 50 DDEA CO[C@@H]1CN(CCOc2ccc(C#N)cc2)C[C@H]1c1cnn[nH]1 591649583 JXOYSWIAUPJROY-GOEBONIOSA-N 313.361 1.170 30 50 DDEA CN1C[C@]2(C)CN(C(=O)CNc3ccc(C#N)cc3)C[C@@]2(C)C1 863947932 SCNXATUYPJQJDS-QZTJIDSGSA-N 312.417 1.770 30 50 DDEA C#CCCC1(CCNC(=O)c2cccc(N=c3nn[nH][nH]3)c2)N=N1 2325893710 VRGILUQOJUOYJE-UHFFFAOYSA-N 324.348 1.061 30 50 DDEA C[C@@H](C(N)=O)N1CCN(Cc2ccc(F)c(C#N)c2Cl)CC1 225465373 LRWDRJHGNQBJSX-JTQLQIEISA-N 324.787 1.342 30 50 DDEA C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C)oc2C)C1=O 281544487 NNUCSBSNJLGOEU-GFCCVEGCSA-N 312.391 1.304 30 50 DDEA C[C@@H](/C(O)=N/C1CC(N(CC(=O)O)CC2CC2)C1)n1cncn1 328644073 RQAWEMLVJPRJTA-PKSQDBQZSA-N 321.381 1.123 30 50 DDEA Cc1cncn1C1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 331924267 OSINXFQPKHFCMS-UHFFFAOYSA-N 324.388 1.734 30 50 DDEA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2ccnc(C#N)c2)c1 282337937 DMLGIJFNLKRYBC-RDJZCZTQSA-N 323.352 1.910 30 50 DDEA N#Cc1c(Cl)cccc1S(=O)(=O)NC1(CN)CCCC1 241160503 JXTZNPBWCHFWHA-UHFFFAOYSA-N 313.810 1.761 30 50 DDEA COc1ccc([C@H](NC(=O)Cn2cc(C#N)nn2)C(C)C)cc1 585132884 DBYYYYQDYZYFSA-MRXNPFEDSA-N 313.361 1.672 30 50 DDEA C#CCCC1(CCNC(=O)Cn2nnc(-c3ccccc3)n2)N=N1 2325887491 WLXBSCGXHCBVNB-UHFFFAOYSA-N 323.360 1.422 30 50 DDEA N#Cc1ccccc1NC(=O)CN1C(=O)COc2ccccc21 6701033 GRHYSIKPUSNPNS-UHFFFAOYSA-N 307.309 1.922 30 50 DDEA CN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(C#N)cn1 230261182 GLHUFKIJVYGVMH-HUUCEWRRSA-N 314.389 1.559 30 50 DDEA CCn1cnnc1[C@@H]1CN(/C(O)=N/[C@H](COC)C2CC2)CCO1 328622252 IIZAFALNQHAKKH-OLZOCXBDSA-N 323.397 1.010 30 50 DDEA CCc1nnc(SCC#CCSc2nnc(CC)[nH]2)[nH]1 253426210 QOJGJMUITXTAPF-UHFFFAOYSA-N 308.436 1.935 30 50 DDEA Cc1nn(C)c(C)c1/C(O)=N/[C@H](C(=O)N1CCOCC1)C(C)C 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CCN(CC(=O)O)C1CC(/N=C(/O)c2cccc(C(=N)O)c2)C1 328628829 HPDLJOHHKGEMSM-UHFFFAOYSA-N 319.361 1.812 30 50 DDEA Cc1ccc(C#N)c(N2CC[C@@]3(CCCN(CCO)C3=O)C2)n1 91416467 GHMACIFPWCTEGB-KRWDZBQOSA-N 314.389 1.073 30 50 DDEA N#CCN(C1CCCC1)S(=O)(=O)c1n[nH]c2ncccc12 685943642 HLXVJQMHAXWUIQ-UHFFFAOYSA-N 305.363 1.415 30 50 DDEA C=CCN(C(=O)[C@@H]1CCCOC1)c1ncc(C(=O)OC)s1 170660786 IMGHVFKMCKYCSL-SNVBAGLBSA-N 310.375 1.875 30 50 DDEA COC(=O)[C@@H]1CCCN2C(=O)N(c3ccc(C#N)cc3)C(=O)[C@@H]12 170613770 OQZRHGMABLTKLC-CHWSQXEVSA-N 313.313 1.278 30 50 DDEA C#CC(C)(C)N(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 192851620 NVNYHQRAZUKQRQ-UHFFFAOYSA-N 308.359 1.164 30 50 DDEA C=CCOc1ccccc1C(=O)NC[C@@H]1CC(=O)N[C@H](C)C1 585131362 SUFZSPHQROYDHM-OLZOCXBDSA-N 302.374 1.896 30 50 DDEA N#Cc1ccc(NCCN2CCN(c3ncccn3)CC2)cc1 301103110 RJRAKJVMDNFOSN-UHFFFAOYSA-N 308.389 1.582 30 50 DDEA N#Cc1ccc(F)cc1CN1CCN(CC(F)(F)F)C(=O)C1 253417495 FYWSONWHQMHLGE-UHFFFAOYSA-N 315.270 1.904 30 50 DDEA CNC(=O)[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1c1cnn(C)c1 284672212 UYLMNZWDKAKOFE-SJORKVTESA-N 323.400 1.253 30 50 DDEA CCc1ccnc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 181708003 WJURSIVFZBBGNE-UHFFFAOYSA-N 321.384 1.873 30 50 DDEA N#Cc1cccnc1NC[C@@H](c1ccccn1)N1CCOCC1 952968492 JYWSIHQWOTYAKD-INIZCTEOSA-N 309.373 1.834 30 50 DDEA N#Cc1ccc2c(c1)N(C(=O)COC[C@@H]1CCCO1)CC(=O)N2 585087164 JPGOYVDPTPCEIB-LBPRGKRZSA-N 315.329 1.039 30 50 DDEA C=CCN[C@@H]1CCc2c(c(C(=O)NC)nn2Cc2ccccc2)C1 14742226 QQINGHIAEAHPAW-OAHLLOKOSA-N 324.428 1.924 30 50 DDEA CCN1C[C@@H](NS(=O)(=O)c2ccsc2C#N)C(C)(C)C1 952994213 XGVMMLNHEWUOJX-GFCCVEGCSA-N 313.448 1.628 30 50 DDEA N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2CN)cc1Cl 168978149 QWYKRCBOLYRFSB-GXFFZTMASA-N 313.810 1.617 30 50 DDEA Cc1cc(C#N)cnc1Sc1nnnn1C[C@H]1CCCO1 2325780582 WWPDCRKDHQPQES-LLVKDONJSA-N 302.363 1.578 30 50 DDEA Cc1cnn(-c2ccc(N=C(O)Nn3cnnc3)cc2F)c1 328596721 UHKQDXHJSNRFAE-UHFFFAOYSA-N 301.285 1.701 30 50 DDEA CN(c1cccc(C#N)c1)[C@H]1CCN(c2nccn3cnnc23)C1 585092045 CCVOZVDQJNKJOB-HNNXBMFYSA-N 319.372 1.711 30 50 DDEA N#Cc1cccnc1N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857721569 WCCLBFXOTUQILT-SFNKJDCFSA-N 321.380 1.526 30 50 DDEA CC(C)C#CC(=O)N1CC(C)(c2nnc(-c3cccnc3)o2)C1 952894999 WSJUZJDAAAPUPU-UHFFFAOYSA-N 310.357 1.891 30 50 DDEA C#CCCNC(=O)c1coc(C2CCN(C(=O)C=C)CC2)n1 1875389545 SCMPKBANTFJPKV-UHFFFAOYSA-N 301.346 1.320 30 50 DDEA COc1cc(C#N)c(NC(=O)CN2CCCCC2)cc1OC 1422812 OENBQEAAMUJGIB-UHFFFAOYSA-N 303.362 2.000 30 50 DDEA COC(=O)[C@H]1C[C@H](OC)CN1C(=O)/C=C/c1cccc(C#N)c1 111142301 IJULPKDLCCFAKM-MFHOCJEASA-N 314.341 1.360 30 50 DDEA C[C@H]1[C@@H](Nc2cncc(C#N)n2)CC(=O)N1Cc1ccccc1 420625283 KWRWAFFQUWURHJ-WFASDCNBSA-N 307.357 1.950 30 50 DDEA Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@](C)(C(=O)O)C1 230109201 MZHACTVWIQWMPF-AWEZNQCLSA-N 308.359 1.352 30 50 DDEA Cc1nc2cncc(N3CCN(c4ccc(C#N)cc4)CC3)n2n1 328652253 WGTMLAJKCPCIEN-UHFFFAOYSA-N 319.372 1.631 30 50 DDEA Cc1[nH]c(CN2CCC[C@@H](c3ccn(CCO)n3)C2)cc1C#N 426408934 KROJKGYREUKCLM-CQSZACIVSA-N 313.405 1.763 30 50 DDEA O=[S@+]1(O)C[C@@H]2NC(=S)N(Cc3ccccc3Cl)[C@H]2C1 334158564 VJSHBDSKZLBPOD-QWRGUYRKSA-P 317.843 1.753 30 50 DDEA N#Cc1ncccc1S(=O)(=O)N1CCC(C(F)(F)F)CC1 236108411 IDLJTJZZEYIUIX-UHFFFAOYSA-N 319.308 1.916 30 50 DDEA Cc1cc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)nc(C)c1C#N 299792292 DWBYCNRHMTXZKZ-GJZGRUSLSA-N 310.361 1.512 30 50 DDEA CC1(C)OB(c2ccc(N3CCCS3(=O)=O)cc2)OC1(C)C 196971371 PYVUDSAMLHAQCJ-UHFFFAOYSA-N 323.223 1.526 30 50 DDEA in-vitro N#Cc1ccc(F)cc1CN1CCC[C@](O)(c2cnn[nH]2)C1 583617923 KNADXXUACUBHSQ-OAHLLOKOSA-N 301.325 1.299 30 50 DDEA CC[C@@H]1S/C(=N/C(=O)COc2ccc(OC)cc2)NC1=O 18193141 WJVCTILUNXLIOA-NSHDSACASA-N 308.359 1.598 30 50 DDEA N#CCc1ccc(OCC(=O)NCCSCC(=O)O)cc1 1875262992 BZWPNTORORDKJL-UHFFFAOYSA-N 308.359 1.065 30 50 DDEA CC(=O)N1CCO[C@H]2CCN(c3nc(C)ccc3C#N)C[C@H]21 886044625 CEONJDGXXZUBDO-CABCVRRESA-N 300.362 1.088 30 50 DDEA CCN(CC(=O)O)C1CC(/N=C(/O)[C@H]2CC23CCOCC3)C1 328631507 KNEGRPDYQNSMSF-WXRRBKDZSA-N 310.394 1.697 30 50 DDEA N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ncccc3F)C2)cn1 153098677 ITDXLPHAZMQLKR-CYBMUJFWSA-N 311.320 1.496 30 50 DDEA C#CCOCCOCCOCCONC(=O)OC(C)(C)C 258838148 VMOMFXUHEJCHQS-UHFFFAOYSA-N 303.355 1.126 30 50 DDEA N#CC1(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)CCCC1 299745983 UMPKRNGSVTUGNU-RKDXNWHRSA-N 303.284 1.193 30 50 DDEA Cc1ncc(CN[C@@H]2CCCN(O)C2=O)n1-c1ccccc1 585116564 AYFDENRTNSAIOP-OAHLLOKOSA-N 300.362 1.651 30 50 DDEA CC(=O)OCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169807794 SRHOLFGOQZNVOQ-UHFFFAOYSA-N 306.167 1.928 30 50 DDEA C#CCCC1(CCC(=O)NC2CN(Cc3cnc(C)o3)C2)N=N1 2325893102 MZBYTSSKEGCLRU-UHFFFAOYSA-N 315.377 1.639 30 50 DDEA C=CCCN1CC[C@@H](O)[C@](Cc2cccc(OC)c2)(C(=O)O)C1 2356146130 TXRARBQHJJSMOR-SJLPKXTDSA-N 319.401 1.951 30 50 DDEA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccccc1[N+](=O)[O-] 100791804 PRZHNEQRLHXJJS-JJUDBDQESA-N 311.297 1.736 30 50 DDEA CC1(C)OB(c2cnn(-c3ccc(CO)cc3)c2)OC1(C)C 170007797 ZAOYTMGWMIJZAM-UHFFFAOYSA-N 300.167 1.664 30 50 DDEA 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Cc1nc(C(=O)N[C@@H]2CCN(c3cccnc3)C2)ccc1C#N 363502042 GGMYUMDQUDRKRB-CQSZACIVSA-N 307.357 1.665 30 50 DDEA CC(C)C(=O)N1CCc2nc(N)c(C#N)c([C@@H]3CCOC3)c2C1 72140513 ZGDFUSZGDOGKPD-LLVKDONJSA-N 314.389 1.580 30 50 DDEA CN1CCN(c2ccc(C(=O)N3CCC[C@@H](C#N)C3)cc2)CC1 223009866 CCJZVCDMSGXIMX-HNNXBMFYSA-N 312.417 1.814 30 50 DDEA C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1cc(Cl)ccc1C#N 278573905 NYHOQBLQXNMENE-QMMMGPOBSA-N 315.782 1.430 30 50 DDEA COC(=O)c1sccc1CS(=O)(=O)N(CC#N)C1CC1 1615585456 HBRTYHCVACUSNX-UHFFFAOYSA-N 314.388 1.352 30 50 DDEA CC(C)(C)OC(=O)N1CCC(CCOS(C)(=O)=O)CC1 34501870 WSNYPQZNUKSYBI-UHFFFAOYSA-N 307.412 2.000 30 50 DDEA in-vitro Cc1cc(Br)c2c(c1)/C(=N/NC(N)=S)C(=O)N2 5730413 VNOHIRYHHPRQMT-UHFFFAOYSA-N 313.180 1.247 30 50 DDEA CN1CC[C@@H](CNC(=O)c2ccc(C#N)cn2)[C@@H]1c1cccnc1 328632704 SAARUYPOUJCYSX-RDJZCZTQSA-N 321.384 1.771 30 50 DDEA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cccc(CC#N)c1 591665638 PVPSTSBQPQPEDQ-KRWDZBQOSA-N 315.373 1.120 30 50 DDEA N#Cc1ccccc1OCCN1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 225631899 ZPRSUUZKVNFMIL-BBWFWOEESA-N 316.401 1.799 30 50 DDEA COC[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 113294493 FUWPUCLUMOSZQL-NSHDSACASA-N 312.366 1.744 30 50 DDEA CCONC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 134741408 FJLUEADWOFGUSX-UHFFFAOYSA-N 301.224 1.583 30 50 DDEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2ncc(C)c(C)n2)C1 328612118 NYOFXSFEAFSAFA-HNNXBMFYSA-N 316.365 1.867 30 50 DDEA COCC/N=C(/O)N1CCC[C@H](N(C(C)=O)C2CCC2)CC1 328643024 RGSCOVJQKMMSGT-HNNXBMFYSA-N 311.426 1.802 30 50 DDEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1cnc(C#N)cn1 328614988 AOZIEPSZPMDRNC-YOEHRIQHSA-N 308.389 1.872 30 50 DDEA N#Cc1c[nH]ccc1=N[C@@H]1CCN(C(=O)COc2ccccc2)C1 370636596 UFEGKYALKWEOAU-OAHLLOKOSA-N 322.368 1.467 30 50 DDEA N#Cc1c(N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)nc2ccccn12 375261989 LTMHDRUCEAUMLK-RKDXNWHRSA-N 323.278 1.306 30 50 DDEA CC(C)[C@@](C)(C#N)NC(=O)CN1CCc2ccccc2[C@H]1CO 268080033 GFOWQWLMVIVFLD-SJLPKXTDSA-N 315.417 1.633 30 50 DDEA Cn1ccnc(N2CCC[C@@H](Nc3ncccc3C#N)C2)c1=O 275496857 BYSLEANPUKZZGU-CYBMUJFWSA-N 310.361 1.128 30 50 DDEA CCOC(=O)C1=C(C)N/C(=C/c2ccc(C(=O)O)cc2)C1=O 19809270 KJJNUHQGDBEHIK-XYOKQWHBSA-N 301.298 1.735 30 50 DDEA C=C[C@H]1OCC[C@@H]1C(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 1857532010 PTDTXBBJCHQPRR-FPMFFAJLSA-N 320.393 1.174 30 50 DDEA Cc1cc(N2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)c(C#N)cn1 864313910 ZWPYSBFTQFHZAA-LBPRGKRZSA-N 324.388 1.817 30 50 DDEA C#CCCC1(CCNC(=O)c2c3c(nn2C)CCOC3)N=N1 2325891348 BBEGHMLMHCRTTP-UHFFFAOYSA-N 301.350 1.188 30 50 DDEA Cc1cc(NC(=O)[C@H]2CCN2Cc2ccccc2)nn1CCC#N 363951792 XCBJAGVYHOYKRY-MRXNPFEDSA-N 323.400 2.318 30 50 DDEA COc1ccc(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc1C#N 284788823 YWHJDTKNDZISKX-ZACQAIPSSA-N 316.401 1.929 30 50 DDEA N#Cc1c(F)cccc1S(=O)(=O)N[C@@H]1CCCn2ncnc21 125953567 DZPMNNJHLDEMDN-LLVKDONJSA-N 321.337 1.102 30 50 DDEA C#CCCC1(CCC(=O)Nc2cnn(CCN(C)C)c2)N=N1 952880521 GKVPHRJFZSUFJX-UHFFFAOYSA-N 302.382 1.739 30 50 DDEA Cc1noc([C@@H](/N=C(/O)c2nonc2C)C2CCOCC2)n1 328609744 FQSNLHIOZHVITK-NSHDSACASA-N 307.310 1.542 30 50 DDEA COC[C@@H]1CN(C(=O)COc2ccccc2C#N)CC(C)(C)O1 285455852 JVOYAKIMEBVOHD-AWEZNQCLSA-N 318.373 1.589 30 50 DDEA COC[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)CC(C)(C)O1 285456152 JXXBAXPABDWZPB-HNNXBMFYSA-N 302.374 1.753 30 50 DDEA CCOc1cccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c1 225706919 KJSXNSOQDIGZCC-CQSZACIVSA-N 310.375 1.388 30 50 DDEA CCOCCC(=O)N1CCN(c2cccc(C#N)c2)C(=O)C1 82166216 TVUUJIPAOUJUIF-UHFFFAOYSA-N 301.346 1.160 30 50 DDEA C=CCN(Cc1ccsc1)C(=O)CCNS(C)(=O)=O 1506423618 JHPPAVPCOZZXPS-UHFFFAOYSA-N 302.421 1.202 30 50 DDEA C[C@@H](O)CN1CCN(c2ccc(C#N)cc2Br)CC1 275876837 WEGPDWBGEQTDGN-LLVKDONJSA-N 324.222 1.824 30 50 DDEA N/C(=N\OC(=O)COc1ccccc1Cl)c1ccccn1 4192128 ADWWPPKGPXDZOR-UHFFFAOYSA-N 305.721 1.978 30 50 DDEA Cc1ccc(N=C(O)N2CCO[C@H](CN(C)CC3CC3)C2)cn1 328629689 INCGIYJLMZKKRA-MRXNPFEDSA-N 318.421 1.978 30 50 DDEA C=CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2[nH]nnc2C1 253417041 NFRUODFNJNQHNL-OAHLLOKOSA-N 321.384 1.996 30 50 DDEA N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2CN)c(F)c1 237933890 CXAFHGLAIUHGMB-WCQYABFASA-N 311.382 1.493 30 50 DDEA C=CCOc1ccc(CN(C=O)CCC(=O)NC)cc1Cl 1875324852 DFEZJKWWKCQGOI-UHFFFAOYSA-N 310.781 1.999 30 50 DDEA COCC[C@@](C)(C#N)NS(=O)(=O)c1ccc(F)c(OC)c1 253393208 GHPQICGSAWBJSP-ZDUSSCGKSA-N 316.354 1.431 30 50 DDEA Cc1ccc(/C(N)=N/OC(=O)c2ccc3c(c2)OCO3)n1C 4602427 QPBOEVWNQYHIPY-UHFFFAOYSA-N 301.302 1.540 30 50 DDEA Cc1cnccc1N1CCC(C(=O)N2CCOC[C@@H]2C#N)CC1 364362097 VDEFEGKNDQKFEE-HNNXBMFYSA-N 314.389 1.357 30 50 DDEA N#C[C@H]1COCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 173582542 MCUXPHBXESDTTR-AWEZNQCLSA-N 306.387 1.478 30 50 DDEA Cc1[nH]c(CN2CCC3(CC2)CN(C)C(=O)CO3)cc1C#N 670467104 MUTPJXGBGPYPER-UHFFFAOYSA-N 302.378 1.018 30 50 DDEA CN1CCN(C)[C@@H](CNCc2ccc(C#Cc3cn[nH]c3)cc2)C1 1775985127 FYSYWLFNAJTHIV-IBGZPJMESA-N 323.444 1.145 30 50 DDEA COC(CO/N=C(/N)c1ccc(N2CCCCC2)nc1)OC 170613199 MURDPNZCFIIZTO-UHFFFAOYSA-N 308.382 1.328 30 50 DDEA N=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N[N+](=O)[O-] 16429489 USTUZACYWHRDNL-AUWJEWJLSA-N 318.249 1.494 30 50 DDEA C#CCCC1(CCNC(=O)[C@]2(O)CCc3ccccc3C2)N=N1 2325886723 GNNJJCLGMRDFQC-KRWDZBQOSA-N 311.385 1.988 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H]2CO[C@@H](Cn3cccn3)C2)N=N1 2325891706 WXDQNUWFGJHKGU-UONOGXRCSA-N 315.377 1.370 30 50 DDEA C[C@@H](Oc1ccccc1C#N)C(=O)N[C@]1(C(=O)O)CCSC1 299743481 NSEIYRSFDCBYQD-MEBBXXQBSA-N 320.370 1.402 30 50 DDEA CCN([C@@H](C)C(=O)O)S(=O)(=O)c1ccc(Cl)cc1C#N 899564463 HZLUVQXXVCPXRB-QMMMGPOBSA-N 316.766 1.695 30 50 DDEA C=CCOc1ccccc1C(=O)N[C@H](CO)c1cncn1C 585131122 MKROKCMRJAIUHW-CYBMUJFWSA-N 301.346 1.448 30 50 DDEA C=CCC1(O)CN(S(=O)(=O)c2cnn(C3CCCC3)c2)C1 1616038136 HGZFBNRQKKRFQO-UHFFFAOYSA-N 311.407 1.310 30 50 DDEA N#Cc1ccccc1N1CCN(CC[C@@H]2COCCO2)CC1 1775984017 GOTYQCWFYKECTO-MRXNPFEDSA-N 301.390 1.486 30 50 DDEA COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1ccc(C#N)cc1)C2 328588584 JIMGXACBVZOTKH-DOTOQJQBSA-N 300.358 1.570 30 50 DDEA CN(C[C@@H]1CCCN1c1cccnn1)C(=O)c1cc(C#N)cn1C 372679707 DNWTXJIXOGQEPK-AWEZNQCLSA-N 324.388 1.428 30 50 DDEA C=CCn1c(NC2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 285947 JJUMTXHBSPGKCJ-UHFFFAOYSA-N 317.393 1.364 30 50 DDEA N#Cc1cc(F)ccc1-n1ccc(=NC(=O)CCc2ncc[nH]2)[nH]1 2325729481 XPHYFSIXIXTNSU-UHFFFAOYSA-N 324.319 1.599 30 50 DDEA CC(O)=Nc1ccn([C@@H]2CCN(Cc3cnn(C)c3C)C2)n1 328615276 ASSZVQGEQCHRGN-CQSZACIVSA-N 302.382 1.980 30 50 DDEA C=CCOC(=O)NCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 14632659 OSIUYHBPBBOKMJ-SNVBAGLBSA-N 316.354 1.657 30 50 DDEA biogenic C=CCN1C[C@@H](C(=O)N2CCC(c3cc[nH]n3)CC2)CCC1=O 218841470 GDXJAKMRVKPPDN-AWEZNQCLSA-N 316.405 1.540 30 50 DDEA N#Cc1cc(C(=O)N2CCN([C@H]3CCOC3)CC2)ccc1F 376102820 KCBNYFAZPHLUIA-AWEZNQCLSA-N 303.337 1.244 30 50 DDEA Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1CN 227926349 WKDBHAPRKPEZFG-ZIAGYGMSSA-N 307.419 1.663 30 50 DDEA COCCN1C[C@@H](Cc2nc(C)c(C)c(C)c2C#N)CC1=O 244794521 QOIZZHFYIRJIOQ-AWEZNQCLSA-N 301.390 1.916 30 50 DDEA COC(=O)c1ccc(-c2ccc(C=Nn3nnnc3N)o2)cc1 250478987 VFEFDALJAZDHMA-UHFFFAOYSA-N 312.289 1.184 30 50 DDEA CN(C)C(=O)N1CCC(C(=O)N2CCC[C@](C)(C#N)C2)CC1 612366971 JMLLJCGXGXXCJS-MRXNPFEDSA-N 306.410 1.532 30 50 DDEA O=C(O)C#C[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 864091930 JSHXNPPXWAMGRP-LLVKDONJSA-N 311.334 1.314 30 50 DDEA N#Cc1ccc(C(=O)N[C@H]2CCOC[C@H]2Nc2ccncn2)cc1 952888549 LFVGCOOXQURAJO-LSDHHAIUSA-N 323.356 1.348 30 50 DDEA CCn1cc(O[C@@H]2CN(c3ccc(C#N)c(C)n3)C[C@H]2O)cn1 599113576 QOBWCKNNPFNJQF-HUUCEWRRSA-N 313.361 1.107 30 50 DDEA CCn1cnnc1[C@@H]1CN(C(O)=Nc2ccc(C)cn2)CCO1 328640543 XKWHSLAATCJUIO-LBPRGKRZSA-N 316.365 1.620 30 50 DDEA COC(=O)c1ccc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1 13131620 CHNSSRQLDXWSPL-AWEZNQCLSA-N 312.329 1.943 30 50 DDEA C[C@H]1CC[C@@H](C(=O)O)CN1S(=O)(=O)c1ccccc1C#N 263528465 VGJAECGVLUEEAD-CMPLNLGQSA-N 308.359 1.432 30 50 DDEA C=CCNC(=O)CCN(C)C[C@@H]1Cc2ccccc2CN1C 244884295 YJGZXKBBOXLINA-KRWDZBQOSA-N 301.434 1.667 30 50 DDEA Cc1ncn(CCNS(=O)(=O)c2cccc(C#N)c2)c1C 826791856 UNVAORAUBRPHJQ-UHFFFAOYSA-N 304.375 1.350 30 50 DDEA Cc1nc(NCCN2CCCC[C@@H]2CO)c(C#N)cc1C(=O)O 952963353 JWVOAQDIGPIUSD-CYBMUJFWSA-N 318.377 1.219 30 50 DDEA Cc1nc(CN2C[C@@H](F)C[C@H]2CNc2nccnc2C#N)no1 275717261 OCZQPKNKBUHTBR-QWRGUYRKSA-N 317.328 1.064 30 50 DDEA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 190581410 ICYRHILMJQNZDG-HNNXBMFYSA-N 323.400 1.875 30 50 DDEA CNc1ccc(C#N)cc1NC(=O)c1c(C)c(C)nn(C)c1=O 225554789 GGQBGXZYUWABAM-UHFFFAOYSA-N 311.345 1.563 30 50 DDEA COc1ccc(/C(O)=N/C[C@H](O)C(=N)O)c(OCC(C)C)c1 328591289 NBODBXSQWVGSPE-LBPRGKRZSA-N 310.350 1.931 30 50 DDEA COc1cccc(OCC(=O)O/N=C(\N)c2ccccn2)c1 4087897 UQMWBYSJWYNDAB-UHFFFAOYSA-N 301.302 1.333 30 50 DDEA COCCN(Cc1cnn(C)c1)Cc1cc(C#CCO)cs1 55225244 DRAGXIVEJFZGPO-UHFFFAOYSA-N 319.430 1.474 30 50 DDEA CN(CC(=N)O)C[C@@H]1CN(/C(O)=N/[C@@H]2C=CCCC2)CCO1 328630707 JPLAGHVGGDCUDF-CHWSQXEVSA-N 310.398 1.177 30 50 DDEA N#Cc1ccc(N2CCN(CCn3cc(Cl)cn3)CC2)nc1 244708139 KOJHVGCPUVXSRJ-UHFFFAOYSA-N 316.796 1.625 30 50 DDEA C#CC1(O)CCN(C(=O)c2cc(F)c(F)c(F)c2F)CC1 585127504 BSPJQYNKBKBPGF-UHFFFAOYSA-N 301.239 1.843 30 50 DDEA CCC[C@H](C#N)NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 585129595 OUTZOTZLHYFRDZ-SNVBAGLBSA-N 315.782 1.409 30 50 DDEA C=C(C)C(=O)OC[C@H](O)CN(CC(=O)O)c1ccc(C)cc1 5160571 WAEYWEAANZCBNC-CQSZACIVSA-N 307.346 1.366 30 50 DDEA OCCN(CC#C[C@](O)(c1ccccc1)C1CCCC1)CCO 1817289 XAQXJZRVHJUEEH-IBGZPJMESA-N 317.429 1.354 30 50 DDEA C[C@H](CC#N)N(C)C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 246071291 BZCOWGUBCPODNL-HSMVNMDESA-N 320.393 1.248 30 50 DDEA COCc1cc(C)n(CC(=O)NCc2ccco2)c(=O)c1C#N 4502572 XUVCJRVJTVQJCK-UHFFFAOYSA-N 315.329 1.084 30 50 DDEA CS(=O)(=O)OCCOc1ccccc1OCC(F)(F)F 38983150 HOJMCBMXHWZNKX-UHFFFAOYSA-N 314.281 1.983 30 50 DDEA in-vitro O=[S@]1CC[C@@H](/N=C(/O)N2CCC3(C2)Oc2ccccc2O3)C1 329605967 MHKZSXWVMFHHPH-XFNZEKPQSA-N 322.386 1.295 30 50 DDEA Cc1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)c(C#N)c1C 242302273 YQZAWDGLVNGLGP-BDJLRTHQSA-N 302.378 1.739 30 50 DDEA C=C(Br)CN1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC 183131634 GGQUHBQRLCMPGT-UWVGGRQHSA-N 320.183 1.322 30 50 DDEA CC[C@H](CC#N)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408524257 RMRZRRUBNHAINQ-LLVKDONJSA-N 311.363 1.650 30 50 DDEA N#Cc1ccccc1N1CCN(CC[C@H]2COCCO2)CC1 1775984016 GOTYQCWFYKECTO-INIZCTEOSA-N 301.390 1.486 30 50 DDEA CC1(C)OB(c2cc(CC(=O)O)cc3c2OCO3)OC1(C)C 170010734 VGKFMWCIQZYSAI-UHFFFAOYSA-N 306.123 1.342 30 50 DDEA Cc1ccc(N2CCC[C@H](/N=C(/O)Nc3ccncn3)C2)nn1 328588644 SWAAGICAYDWTMI-LBPRGKRZSA-N 313.365 1.570 30 50 DDEA CCn1nccc1[C@@H]1OCC[C@H]1C(O)=Nc1nnc(C)n1C 328641487 XYVDLNQKZYPYQN-ZYHUDNBSSA-N 304.354 1.706 30 50 DDEA CCn1cc(C/N=C(/O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cn1 329714925 UEPQQZHFWACTCI-ZNMIVQPWSA-N 322.409 1.179 30 50 DDEA CC/N=C(/NCCn1cccc1)NCc1ccnc(N(C)C)c1 153169070 FTGWSOSEVORERF-UHFFFAOYSA-N 314.437 1.704 30 50 DDEA C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CO)C1CCOCC1 239722369 CCNKIIFLZJFNON-BLLLJJGKSA-N 318.373 1.229 30 50 DDEA CO[C@H]1C[C@H](OC)C12CCN(C(=O)c1cc(C#N)cn1C)CC2 1875328467 TWOPEHRUVJRJKH-GJZGRUSLSA-N 317.389 1.553 30 50 DDEA CN1CCO[C@H](CN(CC2CC2)C(=O)c2cc(C#N)c[nH]2)C1 276443992 MFPNUEPQNZIFRY-AWEZNQCLSA-N 302.378 1.069 30 50 DDEA N/C(=N\OCC(=O)N1CCC[C@@H]2CCCC[C@H]21)C1CCOCC1 170651010 ARWVVFGHUGKADF-DZGCQCFKSA-N 323.437 1.883 30 50 DDEA C=C(C)CNC(=O)[C@H]1CCC(=O)N(CC)[C@H]1c1cnn(C)c1 330992378 SQAHCHGXYWUUDM-ZFWWWQNUSA-N 304.394 1.412 30 50 DDEA Cc1cc(C)n(C[C@H]2CN(C[C@@H](C#N)CCC#N)CCO2)n1 229516655 ZUFATMURBYPDDO-HZPDHXFCSA-N 301.394 1.644 30 50 DDEA O=S1(=O)CCC[C@H](C/N=C(/O)N[C@H]2CCCC(F)(F)C2)C1 329525962 HIJMRMXJQVSCKB-MNOVXSKESA-N 324.393 1.893 30 50 DDEA C#C[C@H]1COCCN1C(=O)c1cc(Cl)c2c(c1)OCCCO2 491453206 PZSNEFIKZVYVTL-LBPRGKRZSA-N 321.760 1.976 30 50 DDEA N#Cc1cccc(-n2ccc(C(=O)N3CC([C@H]4CCOC4)C3)n2)c1 374115151 UHLWRBNGWWPWEQ-AWEZNQCLSA-N 322.368 1.852 30 50 DDEA N#Cc1nccnc1NCC(=O)N[C@H]1CCOc2ccccc21 374442905 LOXLFTNQJWMUHR-LBPRGKRZSA-N 309.329 1.400 30 50 DDEA Cn1cc([C@]2(C)CN(C(=O)c3ccc(C#N)nc3)CCO2)cn1 128657965 IEBUAUIBFVTQNV-INIZCTEOSA-N 311.345 1.075 30 50 DDEA N#C[C@H]1CN(C(=O)CCc2nc(O)c3ccccc3n2)CCO1 1875256300 KGXLNIYOKUSQNG-NSHDSACASA-N 312.329 1.019 30 50 DDEA Cc1cc(C[C@@H](C)NC(=O)c2ccc(C#CC(C)(C)O)o2)n[nH]1 952975273 OVZSWHRLPXKDIH-LLVKDONJSA-N 315.373 1.795 30 50 DDEA CCn1ncnc1Cn1c(C)c(Br)cc(C#N)c1=O 195445069 XMTBNJTZRADQAK-UHFFFAOYSA-N 322.166 1.451 30 50 DDEA CC(C)N1C(=O)C[C@H](/N=C(/O)c2snc(O)c2Cl)C1=O 328777662 LPFNPNMGEVMFBA-YFKPBYRVSA-N 317.754 1.343 30 50 DDEA C#C[C@](C)(CC)NC(=O)Cn1nnc(-c2ccc(OC)cc2)n1 1425906 VHJQYIXZAYJURO-MRXNPFEDSA-N 313.361 1.267 30 50 DDEA N#Cc1ccc(N2CC[C@@](O)(c3c[nH]nn3)C2)cc1C(F)(F)F 284473106 ILLZLVLISFWXGK-ZDUSSCGKSA-N 323.278 1.793 30 50 DDEA C#CCCC1(CCC(=O)NC[C@H](C)N2CCN(C)CC2)N=N1 952881418 LUAADYNQWSLLSV-AWEZNQCLSA-N 305.426 1.094 30 50 DDEA CCO[C@@H]1C[C@](O)(CNC(=O)c2ccc(C#N)cc2)C1(C)C 191789751 OSEXKZRNUZHQLU-PBHICJAKSA-N 302.374 1.854 30 50 DDEA C=CCn1nns/c1=N/CC(=O)Nc1ccc(OC)cc1 401010 SMARJMOBJNNWTI-BUHFOSPRSA-N 305.363 1.074 30 50 DDEA Cc1cc(NC(=O)[C@@H]2CCCO[C@@H]2C(C)C)nn1CCC#N 408474393 UWAOYNQOSNHXTD-UKRRQHHQSA-N 304.394 2.495 30 50 DDEA COc1cccc(CN2CCN(C3CC3)[C@@H](C#N)C2)c1OC 371328243 TVYKGIPGFSTSNC-HNNXBMFYSA-N 301.390 1.876 30 50 DDEA CNC(=O)c1ccccc1S(=O)(=O)c1ccccc1C#N 1382449 JZQYHZDRJOCPEK-UHFFFAOYSA-N 300.339 1.751 30 50 DDEA CN(C)c1cc2c(nn1)CCN(C[C@@H](O)c1ccc(C#N)cc1)C2 366224291 WQZFUYOCGYULOH-QGZVFWFLSA-N 323.400 1.506 30 50 DDEA CC(C)N1N=C(C(=O)N2CCCC(C)(C)[C@@H]2C#N)CCC1=O 372967355 MVOSVTVBYWECLH-ZDUSSCGKSA-N 304.394 1.914 30 50 DDEA C[C@H](CC#N)NC(=O)[C@H]1CCC[C@@H](C(=O)N[C@H](C)CC#N)C1 181542816 PJLQBNVJZRTEDQ-SYQHCUMBSA-N 304.394 1.630 30 50 DDEA COC(=O)CCCCn1cc(B2OC(C)(C)C(C)(C)O2)cn1 585672420 SQWQDPAKSZZHCX-UHFFFAOYSA-N 308.187 1.526 30 50 DDEA CC1(C)OB(c2ccc(C(=O)N3CCOCC3)cc2)OC1(C)C 169743751 ZOPBEWUNCNLYSD-UHFFFAOYSA-N 317.194 1.458 30 50 DDEA in-vitro CC(C)n1cc([C@@]2(O)CCCN(c3ccncc3C#N)C2)nn1 583616774 AYJLLUUJZORMAF-MRXNPFEDSA-N 312.377 1.614 30 50 DDEA C#CCNC(=O)CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 188824941 OABPPVUMRCJXOF-UHFFFAOYSA-N 318.682 1.838 30 50 DDEA COc1ccc(/C=N/n2cnnc2SCCO)cc1OC 2981275 JEENNWIZYUUBPC-OVCLIPMQSA-N 308.363 1.262 30 50 DDEA O/C(Cc1cccnc1)=N/C[C@@H]1C[C@H](F)CN1c1cccnn1 328655762 YQSOYQQMBQBUPC-KBPBESRZSA-N 315.352 1.988 30 50 DDEA C#CCCC1(CCNC(=O)[C@@]2(O)CCc3ccccc3C2)N=N1 2325886724 GNNJJCLGMRDFQC-QGZVFWFLSA-N 311.385 1.988 30 50 DDEA CN1C[C@]2(CCCN(C(=O)c3ccc(C#N)nc3)CC2)OC1=O 72132146 XEKBCACLNXDTEM-MRXNPFEDSA-N 314.345 1.400 30 50 DDEA Cc1ccc(-c2nnc(CN3CCn4nc(C#N)cc4C3)o2)n1C 670474125 YBGZHFMLLPNUHQ-UHFFFAOYSA-N 323.360 1.468 30 50 DDEA CO[C@H]1C[C@@H](CN=c2cc[nH]cc2C#N)N(c2cc(C)ncn2)C1 952849410 BWIGVYGQFVTNFD-GJZGRUSLSA-N 324.388 1.179 30 50 DDEA Cc1n[nH]c(C)c1S(=O)(=O)N1CCc2ccc(C#N)cc21 270246907 RIDZEKLJBXKHSO-UHFFFAOYSA-N 302.359 1.650 30 50 DDEA Cc1ccc(-c2nn(CCC#N)cc2/C=N/NC(N)=S)o1 5576707 RKTROPBUHOJZEB-FRKPEAEDSA-N 302.363 1.532 30 50 DDEA C=CCN(Cc1cccs1)C(=O)[C@H]1CCc2nnc(O)n2C1 1262586176 WTWRAEYFUBABDT-NSHDSACASA-N 318.402 1.822 30 50 DDEA Cc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2c(=O)n1C 1857780125 MJGPXRVSOBRZDW-UHFFFAOYSA-N 300.167 1.541 30 50 DDEA Cc1ccc(S(=O)(=O)OCC2CCS(=O)(=O)CC2)cc1 117619413 GXGVEFJXZNTKAU-UHFFFAOYSA-N 318.416 1.525 30 50 DDEA C=CCCS(=O)(=O)N[C@@H]1CCCO[C@H]1c1nccn1CC 1616024544 FZYBPPBEGWPHLF-CHWSQXEVSA-N 313.423 1.619 30 50 DDEA Cc1cc(C#N)ccc1S(=O)(=O)N(CC(=O)O)CC(C)(C)C 594674810 MLPRIKPFOZCJTF-UHFFFAOYSA-N 324.402 1.988 30 50 DDEA CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(O)cc1 381175 PQOOTEIRYZYTSD-HIFRSBDPSA-N 317.341 1.856 30 50 DDEA CC1(C)OB(c2ccc(C3(O)CCOCC3)cc2)OC1(C)C 170007184 UUMHWLXNQFSQGY-UHFFFAOYSA-N 304.195 1.984 30 50 DDEA Cc1nnc(N2C[C@@H](F)C[C@H]2CNc2cnc(C#N)cn2)o1 328646505 SPLGCAVQHPKVQB-ONGXEEELSA-N 303.301 1.069 30 50 DDEA COc1nccc(N[C@H](c2cnn(C)c2)[C@H]2C[C@H](O)C2)c1C#N 222672672 MVICQYYNVVMOLQ-NVBFEUDRSA-N 313.361 1.619 30 50 DDEA C#CCCC1(CCC(=O)N[C@H](C)[C@H](C)N2CCOCC2)N=N1 952880409 FAVXFGYFSKDZCS-KGLIPLIRSA-N 306.410 1.568 30 50 DDEA C#CCCC1(CCC(=O)N2CCC(N(C)CCO)CC2)N=N1 952882392 QLTOGQIERJDVQW-UHFFFAOYSA-N 306.410 1.257 30 50 DDEA CCC[C@@]1(CO)CN(C(=O)c2cccc(C#N)c2)CC[C@@H]1O 1857711727 DSCVWEFDOIXKIX-RDJZCZTQSA-N 302.374 1.544 30 50 DDEA COC(=O)C1=C(C(C)=O)[C@H](c2ccc(F)cc2)N2NN=NC2=N1 1429246 YSSMSKSSAYZDMK-LBPRGKRZSA-N 317.280 1.440 30 50 DDEA Cn1cccc1-c1nnc2ccc(C(=O)N3CC(C#N)C3)cn12 2100556854 KPJMZFUPHGATFI-UHFFFAOYSA-N 306.329 1.330 30 50 DDEA CO[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2C#N)C12CCC2 416555748 FIOONDBCSDZQPL-UONOGXRCSA-N 306.387 1.794 30 50 DDEA CN1CCC(/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)CC1 328639464 PNXAITAELVJFMH-UHFFFAOYSA-N 323.437 1.612 30 50 DDEA COc1ccc(S(=O)(=O)N2CC[C@H]3C=CC(=O)[C@H]3C2)cc1 71786461 ODMAIKBSDZALAQ-RISCZKNCSA-N 307.371 1.461 30 50 DDEA N#Cc1cccc(/C=C/C(=O)N2CCC[C@H](N3CCNC3=O)C2)c1 368829029 HYIDVERNYWFJSM-MOEXGYKKSA-N 324.384 1.588 30 50 DDEA Cc1noc([C@H]2CN(c3cccc(F)c3C#N)CCN2C)n1 284661398 WAHKJGABKTXNHZ-CQSZACIVSA-N 301.325 1.882 30 50 DDEA C=CCNC(=O)CCN(C)C[C@H]1Cc2ccccc2CN1C 244884296 YJGZXKBBOXLINA-QGZVFWFLSA-N 301.434 1.667 30 50 DDEA CC1(C#N)CCN(Cc2nnc([C@H]3C[C@@H](N)C3)n2C2CC2)CC1 244817005 SSSNDLLVKNAGDK-BETUJISGSA-N 314.437 1.943 30 50 DDEA Cn1cc(CC(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)nn1 1875277762 CXTUIQIGFTZUEW-SNVBAGLBSA-N 309.251 1.648 30 50 DDEA C#CC[C@@H](CO)NC(=O)c1nn(-c2ccccc2C)c2c1CCC2 408517976 QRJXZXOQZPEAHX-AWEZNQCLSA-N 323.396 1.783 30 50 DDEA CCCS(=O)(=O)N1CC[C@@H](n2ccc(N=C(C)O)n2)C1 328612050 NQQCPXNVXZBHCL-LLVKDONJSA-N 300.384 1.478 30 50 DDEA CC(=O)C(C(C)=O)C1=C([N+](=O)[O-])C(=O)C(=O)c2ccccc21 100361876 WLUZJUPWBWBPEC-UHFFFAOYSA-N 301.254 1.234 30 50 DDEA Cc1nc2c(c(=O)n1C)CCN(Cc1ccccc1C#N)CC2 65398317 YZVSGVYCVFJIHN-UHFFFAOYSA-N 308.385 1.561 30 50 DDEA COC[C@@](C)(C#N)NC(=O)c1cc(Br)cn1C 137206912 PVVRCGBYTWZBBD-LLVKDONJSA-N 300.156 1.446 30 50 DDEA C[C@@H]1C[C@H]1c1ccc(C(=O)NCC/C(O)=N/S(C)(=O)=O)o1 328586256 FCYZFXKQBKMSBY-RKDXNWHRSA-N 314.363 1.439 30 50 DDEA C[C@@H]1C[C@@H](C(=O)N2CC(=O)Nc3ccc(C#N)cc32)CCC1=O 333876283 QLQBLPZFQOBVMQ-PWSUYJOCSA-N 311.341 1.849 30 50 DDEA Cc1nc([C@@H]2CCCN(Cc3cc(C#CCO)cs3)C2)n[nH]1 670437502 JROCJSYFCCYFIA-CQSZACIVSA-N 316.430 1.898 30 50 DDEA C#CC[C@H](CO)NC(=O)NCc1cc2c(cc1OC)C[C@H](C)O2 864095536 PQNOUBSEMWVQOH-SMDDNHRTSA-N 318.373 1.202 30 50 DDEA N#CC1(NC(=O)c2cccc([C@H]3CCOC3)c2)CCOCC1 270711341 XBWUSSTVRVBCIM-HNNXBMFYSA-N 300.358 1.993 30 50 DDEA CC(=O)N1CCO[C@@H]2CCN(c3ccc(F)cc3C#N)C[C@H]21 886031142 VQPUZZBWGUVCMK-HZPDHXFCSA-N 303.337 1.523 30 50 DDEA CO[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1c1cn(C)nn1 886080570 YUQZGDVNHULBIL-XHDPSFHLSA-N 301.325 1.445 30 50 DDEA C#CC[C@H](O)CNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 408518127 VJEVXPCRVNUPEU-HNNXBMFYSA-N 316.401 1.214 30 50 DDEA COCc1cc(=O)[nH]c(/N=C(\N)Nc2cccc(Cl)c2)n1 18058888 JVFOYKQPDDBBMW-UHFFFAOYSA-N 307.741 1.628 30 50 DDEA CC#CCNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 241157229 JVXQOSUNPWMVJO-HNNXBMFYSA-N 316.405 1.157 30 50 DDEA Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 591679718 VCKWXYCSOZXKSD-OIISXLGYSA-N 313.401 1.584 30 50 DDEA NC(=O)c1noc([C@H]2CCCN2C/C(O)=N/Cc2ccco2)n1 328644023 RNUDJCZAAYVJIN-SNVBAGLBSA-N 319.321 1.055 30 50 DDEA CO[C@]1(C)CCCN(/C(O)=N/CCC2(O)CCOCC2)C1 329357936 HLARMWFFPVEBIW-CQSZACIVSA-N 300.399 1.333 30 50 DDEA Cc1ncc(S(=O)(=O)NCCc2cccnc2)cc1C#N 253393875 IFRACCJEJFYAJG-UHFFFAOYSA-N 302.359 1.178 30 50 DDEA CC(C)[C@@](C)(C#N)NC(=O)CNc1cccc2c1OCC[C@@H]2O 253418864 BWGLEUGJGKVUGL-WMLDXEAASA-N 317.389 1.969 30 50 DDEA Cc1cc(N2CCC[C@@H](NC(=O)c3cc(C#N)ccn3)C2)n(C)n1 288606065 ZBESOPWFKAAVIG-CQSZACIVSA-N 324.388 1.394 30 50 DDEA C[C@@H]1CNS(=O)(=O)N(c2ccc3c(C#N)nccc3c2)C1 143442728 ZKAVFOXYJCREBQ-SNVBAGLBSA-N 302.359 1.397 30 50 DDEA CC1(C)OB(c2ccc(N3CCOCC3)cc2F)OC1(C)C 255190421 XDGIPDCLTWHMAM-UHFFFAOYSA-N 307.174 1.962 30 50 DDEA CC(C)c1ccc(C#N)c(N2CC[C@H](N3CCN(C)CC3)C2)n1 670473316 KRQJELDBIGVFFR-INIZCTEOSA-N 313.449 1.903 30 50 DDEA C#Cc1cccc(NC(=O)CN(C)c2ccnc(C(N)=O)c2)c1 170604229 AXWKKGAQYHASQS-UHFFFAOYSA-N 308.341 1.237 30 50 DDEA C=CCc1cc(C(=O)N2CC[C@](O)(CO)C2)cc(OC)c1OC 1615606152 SZDGHYVNAKWHCZ-QGZVFWFLSA-N 321.373 1.002 30 50 DDEA COc1cc(C#N)ccc1OCC(=O)N1CC([C@H]2CCOC2)C1 377070188 YZCFGVZICBTGNS-ZDUSSCGKSA-N 316.357 1.441 30 50 DDEA C=CCOC(=O)[C@H]1[C@H]2NC(=O)N[C@@]1(C)Oc1c(OC)cccc12 216287660 KFQDTBLBBWZWOJ-WQGACYEGSA-N 318.329 1.503 30 50 DDEA N#Cc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2F)cn1 372346863 JFWFTJOOWGZMID-OAHLLOKOSA-N 324.315 1.406 30 50 DDEA N#Cc1cccc(NC(=O)N2CCC[C@H](N3CCNC3=O)C2)c1 139922963 ATVVWVZECMQPST-AWEZNQCLSA-N 313.361 1.580 30 50 DDEA CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1cccc(C#N)c1 241564181 ORZPQVANFSDRSL-JKSUJKDBSA-N 321.446 1.708 30 50 DDEA C=CCN1CC[C@H](CNC(=O)N(C)CCn2ccnc2C)C1 584890045 MZETYUUYWBIVLN-OAHLLOKOSA-N 305.426 1.341 30 50 DDEA C#CCCC1(CCC(=O)N2CCN(c3cccnn3)CC2)N=N1 952880811 IPBFOHLUOMZXOT-UHFFFAOYSA-N 312.377 1.481 30 50 DDEA CCN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 169969030 DSHOOXGDGVOLGA-UHFFFAOYSA-N 317.242 1.523 30 50 DDEA in-vitro C=CC[C@@H](NS(=O)(=O)c1c(C)ccc2ncccc12)C(=O)O 681558600 SJKRMWNJJIVRKD-CYBMUJFWSA-N 320.370 1.851 30 50 DDEA COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(C)(=O)=O 202718664 JYQIXLLZOOVBNZ-UHFFFAOYSA-N 312.196 1.398 30 50 DDEA CCOc1ccccc1/C=N/N=C1\NC(=O)[C@@H](CC(=O)O)S1 4543241 WXCJENORKGUYAP-OXFWXOROSA-N 321.358 1.482 30 50 DDEA C=C(C)CN(C)C(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O 935274323 REPQMOVUOOVCRE-UHFFFAOYSA-N 324.384 1.863 30 50 DDEA COC[C@H](N)C(=O)N(CC#Cc1ccccc1)C1CCCC1 65398478 CNCZQPUWFOSCGQ-KRWDZBQOSA-N 300.402 1.783 30 50 DDEA CN1CCC(CC/N=C(/O)c2cn(C)nc2[C@H]2CCOC2)CC1 328639789 XCNMXLOATCMWBS-AWEZNQCLSA-N 320.437 1.961 30 50 DDEA OCCn1ncc2c1CCC/C2=N/Nc1nc2ccccc2[nH]1 1875270226 UFUGDIAQCSMHJP-NDENLUEZSA-N 310.361 1.904 30 50 DDEA C#CCN(C)S(=O)(=O)c1cc(F)ccc1Br 192948172 PNFPWPXKWQHHMY-UHFFFAOYSA-N 306.156 1.842 30 50 DDEA C=CCC(=O)N[C@@H]1CC(=O)N(CCc2ccc(OC)cc2)C1 12073627 DRQFITMKSXWAQQ-CQSZACIVSA-N 302.374 1.531 30 50 DDEA 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30 50 DDEA C#CCCC1(CCC(=O)N2CCC(CCC(N)=O)CC2)N=N1 952882877 YUTQWMKTNJFEPK-UHFFFAOYSA-N 304.394 1.846 30 50 DDEA CO[C@@H]1CN(c2c(F)cc(C#N)cc2F)C[C@H]1c1cn(C)nn1 886079957 FTZZDYONIYEYCG-IINYFYTJSA-N 319.315 1.584 30 50 DDEA C=CC[C@@H](C)NC(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 116971998 QEVSQTVREKESSK-GFCCVEGCSA-N 317.455 1.407 30 50 DDEA C=CCn1cc(CN[C@H](C)c2nncn2CCCOC)c(C)n1 55402097 CEGKGXSNQMBJBR-CQSZACIVSA-N 318.425 1.856 30 50 DDEA Cc1nnc(CN(C)[C@@H]2CCN(C[C@@H](C#N)CCC#N)C2)n1C 229922613 ZJYTYMZGTDMTEY-HUUCEWRRSA-N 315.425 1.073 30 50 DDEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cnn(C)c1C 5728494 IDYUQVUXKZZIPM-HNNXBMFYSA-N 315.373 1.869 30 50 DDEA CCOC(=O)[C@H](F)N1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O 253425877 KAYAPVVNJIGAQI-ABAIWWIYSA-N 319.292 1.184 30 50 DDEA N#Cc1c[nH]c(C(=O)N2CCCO[C@@H](CN3CCCC3)C2)c1 299794369 JCVDNRCDOKIYMX-AWEZNQCLSA-N 302.378 1.213 30 50 DDEA C[C@@H](NC[C@H](O)CC1(C#N)CCOCC1)c1ccnc(O)c1 600740838 WWJGCGQAAOFTBD-TZMCWYRMSA-N 305.378 1.509 30 50 DDEA 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Cc1cc(F)ccc1[C@@H](NCC(F)(F)F)C(=O)NCC#N 1775998763 ILBYOXVXGWINLK-LLVKDONJSA-N 303.259 1.967 30 50 DDEA Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C#N)cc1 276621972 JWOKOTDESMMFNC-GOEBONIOSA-N 310.357 1.799 30 50 DDEA C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 35546 YVNIHHKKDRSVSU-UHFFFAOYSA-N 310.253 1.853 30 50 DDEA N#Cc1ccc(OC2CN(C(=O)[C@H]3CCCc4[nH]ncc43)C2)cc1 130362926 OMSWPUKMLCNFMS-HNNXBMFYSA-N 322.368 1.991 30 50 DDEA CC1(C)OB(c2ccc(C(=O)NC3CC3)cc2N)OC1(C)C 170003942 YWYQFLQBASADKP-UHFFFAOYSA-N 302.183 1.460 30 50 DDEA Cn1cc(NC(=O)c2cc3ccccc3n2CC#N)cc1C(N)=O 609202290 UHPWWEQXEARTPI-UHFFFAOYSA-N 321.340 1.855 30 50 DDEA Cc1nc([C@@H]2CC[C@H](CNc3ncc(C#N)cc3F)O2)n[nH]1 952847821 ZBKGJVMQNCEQEU-PWSUYJOCSA-N 302.313 1.851 30 50 DDEA CC#CC(=O)NC1(COC)CCN(C(=O)OC(C)(C)C)CC1 1875367916 ZBRNYNSTABPHMP-UHFFFAOYSA-N 310.394 1.542 30 50 DDEA Cc1ccc(CNC(=O)C2CCN(C(=O)[C@H]3CO3)CC2)cc1F 1875372622 JTWGIFPLUQUHEX-OAHLLOKOSA-N 320.364 1.388 30 50 DDEA C=C(C)CNC(=O)Cc1c(C(=O)NCC(=C)C)c(C)cn1C 194878088 LQLBLEDPHZKMCN-UHFFFAOYSA-N 303.406 1.874 30 50 DDEA COc1ccc(C2CC(=O)C(=CNCCO)C(=O)C2)cc1OC 100593798 WCTYRKWIAKUPNQ-UHFFFAOYSA-N 319.357 1.185 30 50 DDEA C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12 3818808 UJLAWZDWDVHWOW-YPMHNXCESA-N 312.377 1.545 30 50 DDEA biogenic,fda Cc1c(Cl)cnc(N2CCCN([C@@H](C)CO)CC2)c1C#N 368958673 MYKZMCBCRBIIHJ-NSHDSACASA-N 308.813 1.808 30 50 DDEA N#Cc1ccccc1OCCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 375786954 NSAKLARYOBFWEO-DZGCQCFKSA-N 306.387 1.056 30 50 DDEA C[C@H]1[C@@]2(O)C[C@@H](c3ccccc3)C(C#N)(C#N)[C@@]1(C#N)C(=O)N2 135840244 CDQRUXMHJJPZRU-KVPRVUCYSA-N 306.325 1.172 30 50 DDEA N#Cc1ccc(Cl)cc1N1CCC[C@H](N2CCNCC2=O)C1 333909978 LAUGLWXKYQTNRM-AWEZNQCLSA-N 318.808 1.612 30 50 DDEA CCO[C@@H]1C[C@H](/N=C(\NC)NCc2ccco2)C12CCOCC2 184595883 SEIMLVITTNPLPJ-LSDHHAIUSA-N 321.421 1.919 30 50 DDEA C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1C(=O)N1CCOCC1 408473868 NVAXRGMVINZTOL-RHSMWYFYSA-N 313.401 1.485 30 50 DDEA CNC(=O)[C@@]1(COC)CCCN1Cc1cc(C#N)ccc1F 591646799 KLGVUYDXBILDBA-INIZCTEOSA-N 305.353 1.424 30 50 DDEA N#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CCOC1 110577713 UYRALXBILNGHOE-GUTXKFCHSA-N 313.357 1.084 30 50 DDEA CCOC(=O)c1cnn(-c2nc(C)cc(C#N)n2)c1C(F)F 225820412 MASSZZYIJYYXRJ-UHFFFAOYSA-N 307.260 1.957 30 50 DDEA CN1CCN(/C(O)=N/CCn2cccc2)C[C@H]1c1ncc[nH]1 328627340 MRAHXCUATNNXRM-ZDUSSCGKSA-N 302.382 1.114 30 50 DDEA OCc1cn([C@@H]2CCCC[C@@H]2NC/C(O)=N/C2CCCC2)nn1 328606897 TWVWZVAPIZAFAD-LSDHHAIUSA-N 321.425 1.743 30 50 DDEA CCCc1c(N[C@H]2CCNC2=O)cnn1-c1cccc(C#N)c1 370497145 ABGYOINDSYPGMG-AWEZNQCLSA-N 309.373 1.997 30 50 DDEA Cc1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc(O)n1 183202466 HSJQZTIGPGIOBL-GFCCVEGCSA-N 311.345 1.904 30 50 DDEA C=C[C@@H](C)[C@H](OCOC)[C@@H]1O[C@@H]1[C@H](O)CO[C@H]1CCCCO1 257355358 AIXWGERXXFTMIX-XMEMRUQMSA-N 316.394 1.469 30 50 DDEA Cn1cc([C@@]2(C)CN(C(=O)c3ccc(C#N)nc3)CCO2)cn1 128657800 IEBUAUIBFVTQNV-MRXNPFEDSA-N 311.345 1.075 30 50 DDEA CC#CC(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1875370150 DGRMVGRDPRSZAV-AGIUHOORSA-N 308.378 1.150 30 50 DDEA CNC(=O)c1ccn([C@@H]2CCCN(c3ccc(C#N)cc3)C2)n1 275638364 NJMPYYACRJKBLT-OAHLLOKOSA-N 309.373 1.956 30 50 DDEA C=CCC[C@H](O)CN1CCN(c2cc(C3(C)CC3)n[nH]2)CC1 170599798 FBRXBRQIEXTLEB-AWEZNQCLSA-N 304.438 1.910 30 50 DDEA C=CC(C)(C)CCNC(=O)C(=O)NCCC(=O)N[C@H](C)CC 636591128 XHUQFDGPTQAFHD-GFCCVEGCSA-N 311.426 1.126 30 50 DDEA C=CCn1cc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)nn1 647730642 DISXKLDMYMRYNN-UHTWSYAYSA-N 304.350 1.322 30 50 DDEA C#CCCC1(CCNC(=O)c2cc(C(=O)OC)ncc2O)N=N1 2325901789 YBJHKAIXWABNOM-UHFFFAOYSA-N 316.317 1.269 30 50 DDEA Cc1ccncc1N=C(O)N1CCO[C@H](CN(C)CC(=N)O)C1 328656267 ZFEMXAUSVHIPCH-GFCCVEGCSA-N 321.381 1.103 30 50 DDEA C=CC[C@]1(CO)CCCN(C(=O)CCN2CCCCC2=O)C1 91846907 ZHARDHGTTALRCG-KRWDZBQOSA-N 308.422 1.566 30 50 DDEA C=CCn1ncc(CN2CCCN(c3ncccn3)CC2)c1C 820505328 PCIXBEKWLZFKNJ-UHFFFAOYSA-N 312.421 1.880 30 50 DDEA C#C[C@@H](CO)NC(=O)c1nn(-c2ccccc2C)c2c1CCC2 408523011 NTQMWOOTIOGBLZ-ZDUSSCGKSA-N 309.369 1.393 30 50 DDEA N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cscn1 170621153 JTADAJQZWRPMFR-UHFFFAOYSA-N 307.356 1.275 30 50 DDEA CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](OS(C)(=O)=O)C1 307497219 GKFBZZHPGGBZIE-MRVPVSSYSA-N 315.338 1.607 30 50 DDEA C[C@H]1COC[C@H]2CN(c3nc4c(cc3C#N)CCCC4)CCN12 1875243926 DPARNUGMIOSWBM-XJKSGUPXSA-N 312.417 1.741 30 50 DDEA C=C[C@@H]1OCC[C@H]1C(=O)N1CC(=O)Nc2cc(F)c(F)cc21 906256566 XIMCNIFQYJIWQQ-OQPBUACISA-N 308.284 1.841 30 50 DDEA C[C@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CCN1CCO 343028089 IRVDWFHDYHKXNO-NSHDSACASA-N 319.796 1.362 30 50 DDEA C=C(C)CN(CC)C(=O)CN1CCC[C@H]1[C@H]1CCCN1C(C)=O 248258909 PRIFQNVNHBYBSV-DLBZAZTESA-N 321.465 1.886 30 50 DDEA CCn1cnnc1N=C(O)c1cc(Cl)ccc1-n1cnnn1 328592295 PXEUVDMLRIAQHH-UHFFFAOYSA-N 318.728 1.563 30 50 DDEA N#Cc1cccc(OCCN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1 284632316 BQXGLOOHIYRRFY-RCCFBDPRSA-N 316.401 1.799 30 50 DDEA Cc1nnc(CN2CCN(c3ncccc3C#N)CC2)s1 271455044 SJVXRQAWADWOSN-UHFFFAOYSA-N 300.391 1.435 30 50 DDEA N#Cc1ccc(NCCNC(=O)c2cc(F)ccc2O)nc1 751063495 AXEVGHOBXWQQBZ-UHFFFAOYSA-N 300.293 1.640 30 50 DDEA CC#CC(=O)N(C)Cc1nnc2n1CCC[C@@H]2C(F)(F)F 1347782182 VGJWZNNVJCWDQT-VIFPVBQESA-N 300.284 1.700 30 50 DDEA CSc1ncc(Br)c(COS(C)(=O)=O)n1 247558816 YBYSZADVFSQWLH-UHFFFAOYSA-N 313.198 1.437 30 50 DDEA in-vitro C=CCC1(O)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 1616038682 NZZZLENYSLAGNH-UHFFFAOYSA-N 312.347 1.215 30 50 DDEA COC(=O)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1OC 169747404 VZJZKGIGBWJTQU-UHFFFAOYSA-N 310.130 1.920 30 50 DDEA COC(=O)c1cc2cc(B3OC(C)(C)C(C)(C)O3)ccn2n1 1857780121 LMZAXRZUHTYBEM-UHFFFAOYSA-N 302.139 1.420 30 50 DDEA C#CCCC1(CCC(=O)Nc2cnn(CC)c2C(=O)OC)N=N1 2325892461 OEHGZRLDKNNBCV-UHFFFAOYSA-N 317.349 1.984 30 50 DDEA CCn1cnnc1[C@H]1CN(C(O)=Nc2ccsc2)CCO1 328620955 HLYJDOOVHSYWAV-LLVKDONJSA-N 307.379 1.979 30 50 DDEA CC(O)=Nc1ccn([C@@H]2CCN(C(=O)CC3(O)CCCC3)C2)n1 328611216 KROJGBNTTAYRKY-CYBMUJFWSA-N 320.393 1.960 30 50 DDEA N#Cc1ccc(OC[C@H](O)CN2CCc3ncccc3C2)cc1 372155395 FNRJJCITHIIENP-MRXNPFEDSA-N 309.369 1.751 30 50 DDEA N#Cc1ccc(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)cn1 218858464 JVLZDVQQBYZDAI-GFCCVEGCSA-N 312.373 1.474 30 50 DDEA N#Cc1ccc(NC(=O)Cn2cnc(C#N)c2C#N)cc1Cl 180421644 MBRLXYOPPPMUQU-UHFFFAOYSA-N 310.704 1.790 30 50 DDEA CC(C)c1nc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)cs1 301178335 NEKCSPUUVAWOIX-UHFFFAOYSA-N 319.390 1.148 30 50 DDEA CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1cccc(C#N)c1 225529644 JXPWBBKBGPPHFB-KCPJHIHWSA-N 314.389 1.390 30 50 DDEA C[C@H](/N=C(/O)N1CCO[C@H](c2nncn2C)C1)c1ccccc1 328615581 AXMLYBNKSHXGCD-JSGCOSHPSA-N 315.377 1.864 30 50 DDEA N#Cc1cccc(-c2cnc3c(N4CC[C@H](O)C4)nccn23)c1 2356153705 RNQBSIFVWIYJKF-AWEZNQCLSA-N 305.341 1.839 30 50 DDEA CN1CCC[C@@H](CNC(=O)c2ccc(C#CC(C)(C)O)o2)C1 67675456 UNQHURMSWKNQFR-ZDUSSCGKSA-N 304.390 1.474 30 50 DDEA N#Cc1cn2cc(Br)nc(N3CCOCC3)c2n1 34247720 WMTFJIRKIBJRRY-UHFFFAOYSA-N 308.139 1.200 30 50 DDEA Cc1nnc(CN2CCN(c3ccnc(C#N)c3)CC2)s1 1775991863 WLGSVNQADMBCJV-UHFFFAOYSA-N 300.391 1.435 30 50 DDEA N#Cc1cccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)c1 222574976 TYAWFOARTNHVGL-CABCVRRESA-N 305.403 1.463 30 50 DDEA Cn1cc([C@H]2OCC[C@@H]2C(=O)NCc2ccc(C#N)cc2)cn1 275297321 MVYCOMXNGVOITH-JKSUJKDBSA-N 310.357 1.686 30 50 DDEA N#Cc1cc([N+](=O)[O-])ccc1N1CCC(c2nnc(N)o2)CC1 585092302 OEUACNJXGJMFKD-UHFFFAOYSA-N 314.305 1.816 30 50 DDEA Cc1nnc2n1C[C@H](C(=O)NC1(c3ccc(C#N)cc3)CC1)CC2 1616030961 BCBFDGQKIDQLBS-CQSZACIVSA-N 321.384 1.826 30 50 DDEA CN(C)c1nc(Oc2ccc(/C=N/O)cc2)nc(N(C)C)n1 13114114 DZKNNBBQRNHXPY-OQLLNIDSSA-N 302.338 1.604 30 50 DDEA CN1CCN[C@@H](Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1 169745740 FUFLKGHSJWMHBW-INIZCTEOSA-N 316.254 1.432 30 50 DDEA C=CCN1C(=S)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 4140702 MRYKSDXQGJVVEE-OLZOCXBDSA-N 308.428 1.445 30 50 DDEA C=C(C)COc1ccc(C(=O)NCCN2CCC(O)CC2)cc1 55371575 JTIPLILAVLIQNV-UHFFFAOYSA-N 318.417 1.828 30 50 DDEA COc1nn(C)cc1N=C(O)N1CCN(C2CCCCC2)CC1 330030191 REYWHFXBHVRYTH-UHFFFAOYSA-N 321.425 1.925 30 50 DDEA COCC[C@]1(CO)CCCN(C(=O)c2cccc(C#N)c2)C1 92046954 HIFBBQWDNFIPOV-QGZVFWFLSA-N 302.374 1.809 30 50 DDEA 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(O)cc1O 239203252 SARFGFVEVQWMID-UNXFNURESA-N 324.336 1.485 30 50 DDEA N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 170603792 SGDUHMRGRWHOHX-OAHLLOKOSA-N 323.356 1.384 30 50 DDEA CC1(C)OB(c2ccc(NS(C)(=O)=O)c(F)c2)OC1(C)C 204379177 UIQPUXVMQNUHLF-UHFFFAOYSA-N 315.175 1.496 30 50 DDEA COc1cc(/C=N/n2cnnc2)ccc1OC(=O)c1ccncc1 452571 XMQVXKTXHKEBAB-AWQFTUOYSA-N 323.312 1.783 30 50 DDEA C[C@@]1(C#N)CCCN(CC(O)CN2CCC[C@@](C)(C#N)C2)C1 408514946 GRGAIWNZIUNIHM-IRXDYDNUSA-N 304.438 1.599 30 50 DDEA CCn1cc([C@@H]2OCCC[C@H]2CNc2n[nH]c(C)c2C#N)cn1 594947357 ZSZODYSJQDOKQS-SWLSCSKDSA-N 314.393 2.386 30 50 DDEA CC1(C)OB(c2cccc(S(=O)(=O)NC3CC3)c2)OC1(C)C 1857779121 REIQGTSBQOCLNJ-UHFFFAOYSA-N 323.223 1.427 30 50 DDEA CCOC(=O)C1=C(N)OC(C)=C(C(C)=O)[C@@H]1c1cccnc1 251321 UIPDEBMAFFBCBS-ZDUSSCGKSA-N 302.330 1.792 30 50 DDEA C#CCN(CC#N)S(=O)(=O)c1ccc2c(c1)N(C)CCC2 225588299 QWHVOKSNDXLDHH-UHFFFAOYSA-N 303.387 1.216 30 50 DDEA N#Cc1ccc(Cl)nc1NC(=O)CCNC(=O)c1ccco1 225696988 UKQCCXKEJKYUTG-UHFFFAOYSA-N 318.720 1.958 30 50 DDEA N#C[C@H]1CC[C@@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3N)CC2)C1 333552606 JRYZDFNCKBIUMP-MYPMTAMASA-N 306.410 1.216 30 50 DDEA CC(C)N1C[C@@H](/N=C(/O)N2CCC(c3cc[nH]n3)CC2)CC1=O 329326024 TYMWVPLIGSJPJE-ZDUSSCGKSA-N 319.409 1.512 30 50 DDEA O=[S@+]1(O)C[C@@H]2NC(=S)N(c3ccc(Cl)c(F)c3)[C@H]2C1 334158333 HMRPMGYAIZRESY-UWVGGRQHSA-P 321.806 1.897 30 50 DDEA CCC#CCN1CCC[C@@H](CNC(=O)c2cncnc2C)C1 822523026 KTKUMMJESMCEHB-HNNXBMFYSA-N 300.406 1.640 30 50 DDEA C#CCCC1(CCC(=O)NCCN2CCOC(C)(C)C2)N=N1 952881640 PEXMUOPGLOYODK-UHFFFAOYSA-N 306.410 1.569 30 50 DDEA CC(C)[C@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(C#N)[nH]1)C2 888095042 QBYBMDUMFVDQQF-KCYZZUKISA-N 316.405 1.096 30 50 DDEA N#CC1(C(=O)N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)CC1 212166627 IMPYGDGCFQACFJ-OLZOCXBDSA-N 314.341 1.396 30 50 DDEA COc1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@@H]2O)cc1C#N 331924316 LZKNBSUIBXOMHF-ZACQAIPSSA-N 316.401 1.929 30 50 DDEA C[C@@H]1CN([C@@H]2CCCN(CC(C)(C)C)C2=O)C[C@@H](C)N1CC#N 585116529 ZYHHUPXGUXZRET-BZUAXINKSA-N 320.481 1.942 30 50 DDEA C=CC1(CC(=O)N2CCC(O)(c3nn[nH]n3)CC2)CCCCC1 935784494 MCTWHUISGUFAKG-UHFFFAOYSA-N 319.409 1.536 30 50 DDEA CC1=C(C(=O)OCCC#N)[C@@H](c2ccccc2F)NC(=O)N1 4854803 XMDLYCNSPIBIIM-CYBMUJFWSA-N 303.293 1.910 30 50 DDEA Cc1cc2ncc([N+](=O)[O-])n2cc1B1OC(C)(C)C(C)(C)O1 170004731 VMPJZHGLGPXANA-UHFFFAOYSA-N 303.127 1.850 30 50 DDEA CC(C)Cc1cc(C(=O)N2CCn3nc(C#N)cc3C2)n(C)n1 65406921 GCDUXYSZZROWDX-UHFFFAOYSA-N 312.377 1.343 30 50 DDEA C=C/C(O)=N/Cc1ccc(S(=O)(=O)N2CCOCC2)s1 328599278 RELBYQCCECIPRB-UHFFFAOYSA-N 316.404 1.412 30 50 DDEA OCC#Cc1ccc(CN2CCN(CC(F)(F)F)CC2)cc1 315489283 FSTWJPINPMRLOS-UHFFFAOYSA-N 312.335 1.710 30 50 DDEA Cn1cc([C@H]2CN(c3cccc(F)c3C#N)C[C@@H]2C(N)=O)cn1 284584321 IRXFFKFSCIANNX-OLZOCXBDSA-N 313.336 1.136 30 50 DDEA N#Cc1cccc(N2CCN(Cc3ccccc3)C[C@H](O)C2)n1 225328561 GJKXFARVQSSNIW-KRWDZBQOSA-N 308.385 1.636 30 50 DDEA O=[S@+]1(O)C[C@@H]2NC(=S)N(c3ccc(Cl)cc3)[C@H]2C1 334158066 MPQMMXVOUWFVGE-UWVGGRQHSA-P 303.816 1.758 30 50 DDEA O=[S@+]1(O)C[C@H]2NC(=S)N(c3ccc(Cl)cc3)[C@@H]2C1 334158065 MPQMMXVOUWFVGE-NXEZZACHSA-P 303.816 1.758 30 50 DDEA C[C@@H](CC#N)NC(=O)[C@H]1CCC[C@@H](C(=O)N[C@@H](C)CC#N)C1 181542763 PJLQBNVJZRTEDQ-XDQVBPFNSA-N 304.394 1.630 30 50 DDEA CC1(C)CCO[C@@H]1CC(=O)NS(=O)(=O)CC1(C#N)CCC1 1875283972 JZTPGNVZRPZPEB-LLVKDONJSA-N 314.407 1.331 30 50 DDEA Cc1cc(C#N)nc(N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)n1 583617864 BIFQZUHZRFCRCY-HIFRSBDPSA-N 308.345 1.436 30 50 DDEA C#CCCC1(CCC(=O)N2CC(c3ocnc3CO)C2)N=N1 2325894990 HFTOLZCVNGSHAK-UHFFFAOYSA-N 302.334 1.448 30 50 DDEA N[C@@H](CCCCNC(=O)OC[C@H]1[C@H]2CCC#CCC[C@H]21)C(=O)O 109335633 QLDVOCPEKYLEOT-XGUBFFRZSA-N 322.405 1.734 30 50 DDEA C[C@@H](C#N)CN(C)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 229454097 XQVJNQVRLMVHEZ-XJKSGUPXSA-N 319.380 1.817 30 50 DDEA Cc1n[nH]cc1-c1nnc(N=C(O)C2(C(=O)N(C)C)CC2)s1 329316207 HKLBCGKYMOZHJI-UHFFFAOYSA-N 320.378 1.693 30 50 DDEA O=C1CC[C@@H]2CN(/C(O)=N/[C@@H](C3CC3)C(F)(F)F)CCN12 329578713 TXGVRDYIPIRXEC-KOLCDFICSA-N 305.300 1.548 30 50 DDEA CCOC(=O)[C@@]1(CC#N)CCN(Cc2ccccc2)CC1=O 216643039 GMMTUQKAOHKYSJ-KRWDZBQOSA-N 300.358 1.925 30 50 DDEA N#Cc1ccncc1NC[C@@H]1C[C@H](F)CN1Cc1cncnc1 367815447 PXPPCYWLLWNQNT-GJZGRUSLSA-N 312.352 1.768 30 50 DDEA N#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2CN)c(F)c1 237996585 CXAFHGLAIUHGMB-YPMHNXCESA-N 311.382 1.493 30 50 DDEA COc1cc(NC(=O)COC[C@H]2CCCO2)c(F)cc1C#N 585126008 LBQSKGYRKKMDEH-LLVKDONJSA-N 308.309 1.840 30 50 DDEA C#CCCC1(CCC(=O)NC[C@@H](CO)Cc2ccccn2)N=N1 2325892457 OBSIQFLUFLXDEP-AWEZNQCLSA-N 314.389 1.705 30 50 DDEA CC(C)[C@H](/N=C(/O)CCc1cnc[nH]1)C(=O)N1CCOCC1 329369984 INDOBNRLERXRTI-AWEZNQCLSA-N 308.382 1.182 30 50 DDEA CCC#CCN1CCN(C)[C@]2(CCC(=O)N(CCOC)CC2)C1 91487018 USHMLVAKHQLWOV-SFHVURJKSA-N 321.465 1.045 30 50 DDEA C=C1CC[C@@H]1NC(=O)N1CCC(n2[nH]c(C3CC3)nc2=O)CC1 1875305996 OVFRBGJHSRQUCT-ZDUSSCGKSA-N 317.393 1.514 30 50 DDEA Cc1cccc(S(=O)(=O)N2CCC[C@@H]([C@H](C)N)C2)c1C#N 272568646 KVEYPKMAZCWTQP-QWHCGFSZSA-N 307.419 1.615 30 50 DDEA CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](C#N)CO)cc1 408523707 UWVYGCAOKWZGCS-LBPRGKRZSA-N 305.334 1.648 30 50 DDEA N#Cc1cc(S(=O)(=O)NC[C@@H]2CCCC2=O)ccc1Cl 170603680 FBPXHQKHKLDGTJ-VIFPVBQESA-N 312.778 1.859 30 50 DDEA C#CC(C)(C)N(C)S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 195473371 DOMOEYSSUUFYJD-UHFFFAOYSA-N 308.403 1.421 30 50 DDEA C=CCn1cc(NC(=O)[C@H]2CC[C@H](C3CCNCC3)O2)cn1 2325775000 QAOLUHUXQLUSFA-HUUCEWRRSA-N 304.394 1.555 30 50 DDEA C=CCNC(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2oc1=O 4813558 HOWHSOVTTPDKGL-UHFFFAOYSA-N 304.258 1.626 30 50 DDEA CC1(C)OB(c2cc(F)ccc2CS(C)(=O)=O)OC1(C)C 170017324 JPEPLFUMWASSBR-UHFFFAOYSA-N 314.187 1.670 30 50 DDEA C[C@@H](O)CN(C)c1cc(N(C)C[C@@H](C)O)c([N+](=O)[O-])cc1C#N 252519003 AQNHSOBTZGTNFC-GHMZBOCLSA-N 322.365 1.100 30 50 DDEA C=CCOC(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 2569772 UAHHMBPTDNIRIB-VIFPVBQESA-N 302.327 1.267 30 50 DDEA biogenic CN[C@@H](C)c1cn([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 603233490 APABCTCYOVLBLD-BLLLJJGKSA-N 324.388 1.798 30 50 DDEA COC[C@@H]1C[C@@H](OC)CN1S(=O)(=O)Cc1cccc(C#N)c1 330530131 ZTIDHKBZBHGSFL-LSDHHAIUSA-N 324.402 1.124 30 50 DDEA CN1CC[C@H]2OCCN(C(=O)c3ccccc3OCC#N)[C@H]2C1 285291359 OTWSUIAZENGPHN-GOEBONIOSA-N 315.373 1.134 30 50 DDEA C[C@H](c1cccnc1)N(C)C(=O)NC1CCN(CC#N)CC1 609337940 LWHKVMXXLTXWCW-CYBMUJFWSA-N 301.394 1.772 30 50 DDEA C[C@@H]1CO[C@]2(N=C(N)[C@]3(C#N)[C@@H](c4ccccc4F)[C@]23C#N)O1 247954494 LHUVWCBNHUXZJD-WRWUWZKUSA-N 312.304 1.403 30 50 DDEA CN1C(=O)C[C@@H](CNCc2cc(C#N)n(C)c2)[C@@H]1c1cccnc1 886085125 BKDLYTJDXFDWFZ-YJBOKZPZSA-N 323.400 1.601 30 50 DDEA Cc1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cn1 1434849183 NUCLSVONTNLHRS-UHFFFAOYSA-N 312.333 1.074 30 50 DDEA Cc1c(C#N)c(=O)n(CC[C@@H]2CCCCO2)c(=O)n1C1CC1 601092250 JLOIHOMQTTYVCU-ZDUSSCGKSA-N 303.362 1.484 30 50 DDEA c1ccc2oc(N=C3NCN(C[C@@H]4CCCO4)CN3)nc2c1 17014594 VWNLWDZATRYSQG-NSHDSACASA-N 301.350 1.404 30 50 DDEA C=CCn1nc(C)c(CN2C[C@H]3CCCN3C(=O)[C@@H]2C)c1C 1857699240 JASFQKRTNXVWLV-LSDHHAIUSA-N 302.422 1.881 30 50 DDEA CO[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1c1cnn[nH]1 591649597 KRGRWSSGPWYDAS-SWLSCSKDSA-N 301.325 1.430 30 50 DDEA C=CCC1(C(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)CCOCC1 333416430 IFIGXZBWDPCACP-GFCCVEGCSA-N 320.393 1.589 30 50 DDEA COCCN1C[C@H]2CC[C@@H]1CN(c1ccnc(OC)c1C#N)C2 95384955 APELMQKCZIBVIK-ZIAGYGMSSA-N 316.405 1.509 30 50 DDEA N#Cc1cc(C(=O)N[C@@]2(c3ncc[nH]3)CCOC2)ccc1F 886096535 LHQIOWVWCOAWDM-HNNXBMFYSA-N 300.293 1.466 30 50 DDEA C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1C(=O)CNc1ccc(C#N)cc1 585125674 AUGXPCKWWIKQFS-LALPHHSUSA-N 314.389 1.471 30 50 DDEA CC1(C)OC[C@H](Cn2cc(B3OC(C)(C)C(C)(C)O3)cn2)O1 203898035 KPXUWAMGPCLHKH-LBPRGKRZSA-N 308.187 1.334 30 50 DDEA N#Cc1ccc([C@@H](C(N)=O)N2C[C@H](O)CC3(CCCC3)C2)cc1 2325772036 OQGZIBGWOJJRQI-CVEARBPZSA-N 313.401 1.712 30 50 DDEA COc1nc(C)cc(C)c1/C(N)=N/O[C@H]1CCN(C2CC2)C1=O 134257644 LVTFCYJPCGUVDF-LBPRGKRZSA-N 318.377 1.107 30 50 DDEA C=CCCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 77487791 MLTIJWSCRVYJSC-UHFFFAOYSA-N 304.394 1.079 30 50 DDEA N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H](N2CCNC2=O)C1 368784232 JJNQRVYASRACOZ-KXPUMZMLSA-N 324.384 1.588 30 50 DDEA C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 131929939 FZSHEZMCPWWVEP-MRVPVSSYSA-N 314.267 1.799 30 50 DDEA Cc1ccc(CNC(=O)C2(C(=O)O)CCOCC2)cc1C#N 1875270525 GWLKGZZGQNXYPO-UHFFFAOYSA-N 302.330 1.364 30 50 DDEA COc1ccc(/C=N/n2cnnc2)cc1CN1CCOCC1 443436 WAZZYTKGWLTMRJ-GIJQJNRQSA-N 301.350 1.001 30 50 DDEA N#C[C@@H](CS(=O)(=O)N1Cc2ccccc2C1)C1CCOCC1 1615547462 ASBFALQXJFDXSV-INIZCTEOSA-N 320.414 1.898 30 50 DDEA N#C[C@H](CS(=O)(=O)N1Cc2ccccc2C1)C1CCOCC1 1615547464 ASBFALQXJFDXSV-MRXNPFEDSA-N 320.414 1.898 30 50 DDEA N#Cc1nc(-c2ccc(Cl)cc2)oc1N(CCO)CCO 2050024764 KKWSXFKOPFOCQP-UHFFFAOYSA-N 307.737 1.658 30 50 DDEA C#CCCC1(CCNC(=O)c2cn(-c3cnn(C)c3)cn2)N=N1 2325887503 XILAKIHHXHDWMC-UHFFFAOYSA-N 311.349 1.301 30 50 DDEA NC(=O)C[n+]1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 3152476 ULMDMCHQXBIQHV-UHFFFAOYSA-O 305.745 1.757 30 50 DDEA COC(=O)c1ccc2ncc(B3OC(C)(C)C(C)(C)O3)n2c1 170004816 USGCCLQEQYIOKT-UHFFFAOYSA-N 302.139 1.420 30 50 DDEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2ncc(C)c(C)n2)C1 328612121 NYOFXSFEAFSAFA-OAHLLOKOSA-N 316.365 1.867 30 50 DDEA C=CCCC(=O)N[C@@H]1CCN(Cc2c(C)noc2C)C[C@H]1O 426602579 YKTCUWHLZJGHJT-HUUCEWRRSA-N 307.394 1.309 30 50 DDEA C=CCc1cc(C(=O)NC[C@@H]2CC(=O)N(C)C2)ccc1OC 584895816 LCRWGFFAWKHBKT-LBPRGKRZSA-N 302.374 1.632 30 50 DDEA C=CCC1(O)CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 1339280828 KBOTZUHZSRRZDK-UHFFFAOYSA-N 301.302 1.839 30 50 DDEA C#CC[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 585114877 DEJRSUFOMRKLRS-SNVBAGLBSA-N 318.192 1.112 30 50 DDEA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cc(C#N)cn1C 328615256 ASFQTCZLXYOEHN-JSGCOSHPSA-N 313.361 1.373 30 50 DDEA C#CCCC1(CCNC(=O)COCc2ccnc(O)c2)N=N1 2325891477 JEPNDMGTCIXKBE-UHFFFAOYSA-N 302.334 1.386 30 50 DDEA C#CCCC1(CCC(=O)N2C[C@@H]3C[C@H]2CN3CC(F)F)N=N1 2325893097 JFXQGRGRKPIDTQ-RYUDHWBXSA-N 310.348 1.892 30 50 DDEA CCc1noc(CN2CC[C@H](n3ccc(N=C(C)O)n3)C2)n1 328627395 MTXYTYSPGFKFRO-NSHDSACASA-N 304.354 1.883 30 50 DDEA C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 283729371 FGVACSPVJKAIAI-BBRMVZONSA-N 314.389 1.417 30 50 DDEA CCOC(=O)NC(=O)C(=NNc1ccc(F)cc1F)C(C)=O 252427809 GSLVVRBEBZFAOE-UHFFFAOYSA-N 313.260 1.594 30 50 DDEA CCOC(=O)[C@H](CC)n1cc(B2OC(C)(C)C(C)(C)O2)cn1 261507496 JDYODSYWJWBZHX-LBPRGKRZSA-N 308.187 1.697 30 50 DDEA CN(Cc1ccc(C#CC(C)(C)O)s1)C[C@@H]1CC(=O)N(C)C1 823709242 QAKVHEVGHWQPGS-ZDUSSCGKSA-N 320.458 1.781 30 50 DDEA C=CC(=O)N1CCC[C@H](C(=O)Nc2cc(C#N)ccc2NC)C1 1875371921 QFDZORDGMPPQIL-ZDUSSCGKSA-N 312.373 1.963 30 50 DDEA C[C@@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccnc(O)c1 600740837 WWJGCGQAAOFTBD-OCCSQVGLSA-N 305.378 1.509 30 50 DDEA C#CCCC1(CCNC(=O)Cc2cccc(-c3nn[nH]n3)c2)N=N1 2325901101 UCCSYKGORMSIIU-UHFFFAOYSA-N 323.360 1.491 30 50 DDEA CN(CC1CC1)C[C@@H]1CN(C(O)=Nc2ccccn2)CCO1 328632236 LFEGSCGXNWZFKM-CQSZACIVSA-N 304.394 1.670 30 50 DDEA CCN1CCN(/C(O)=N/Cc2ccco2)C[C@H]1c1ncc[nH]1 328625028 KHCMZARVCYGOJU-ZDUSSCGKSA-N 303.366 1.796 30 50 DDEA Cn1cc(C#N)c(NC(=O)c2csc([C@@H]3CCCO3)n2)n1 328880315 VTAMHDNZZHLNKG-JTQLQIEISA-N 303.347 1.852 30 50 DDEA C=CCOc1cccnc1C(=O)N1CCO[C@@]2(CCCOC2)C1 329180604 OIWCGLUFPMYKAQ-KRWDZBQOSA-N 318.373 1.668 30 50 DDEA C=CCNC(=O)c1nnn2c1CO[C@@H](c1ccc(OC)cc1)C2 263616856 KXIMMSPQPPBDPL-CQSZACIVSA-N 314.345 1.474 30 50 DDEA N#Cc1cc2cccnc2nc1N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 596227503 ZSZYUNQPOBGIND-XHSDSOJGSA-N 324.384 1.868 30 50 DDEA C=C(Cl)CS(=O)(=O)N1CCN(Cc2cccs2)CC1 170608397 XEYGCZIKFQGTFR-UHFFFAOYSA-N 320.867 1.948 30 50 DDEA N/C(=N\OS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 13110620 WOAFKJLAODUJHR-UHFFFAOYSA-N 311.750 1.761 30 50 DDEA C=C(C)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=C)C 380568 YBQDLFXXABTNMK-UHFFFAOYSA-N 320.418 1.678 30 50 DDEA C[C@H](O)CN(C)c1cc(N(C)C[C@@H](C)O)c(C#N)cc1[N+](=O)[O-] 225818474 AQNHSOBTZGTNFC-MNOVXSKESA-N 322.365 1.100 30 50 DDEA CC1(C)OB(c2cc(C(F)(F)F)cnc2NN)OC1(C)C 170006679 BVGSHFWQNARDDE-UHFFFAOYSA-N 303.093 1.685 30 50 DDEA CC(C)[C@H]1CN(/C(O)=N/CCC2(O)CCOCC2)CCO1 329200131 BHFIBQXGMBFHKX-CYBMUJFWSA-N 300.399 1.189 30 50 DDEA CC(C)[C@H](NC[C@]1(C#N)C[C@H]1S(C)(=O)=O)C1(CO)CCC1 952992556 NTLYFLJNBUSHLF-VNHYZAJKSA-N 314.451 1.090 30 50 DDEA CN1C(=O)CC[C@H](CNc2cnccc2C#N)[C@H]1c1nccn1C 886094078 RBUBEOURTVAIDP-CJNGLKHVSA-N 324.388 1.708 30 50 DDEA C#CCCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 170091360 GHCWTSMGVSBGMP-UHFFFAOYSA-N 309.369 1.866 30 50 DDEA C=CC[C@@H](NS(=O)(=O)c1c(C)nn(C(C)C)c1C)C(=O)O 681557558 CBPXHLQXUCIRAH-LLVKDONJSA-N 315.395 1.388 30 50 DDEA C/C(O)=N/[C@@H]1CCCN(c2nccc(N[C@@H]3CCCOC3)n2)C1 328623891 CCBRNSBODWNNEJ-ZIAGYGMSSA-N 319.409 2.013 30 50 DDEA COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCCC#N 4189364 XSZMNJDHDLEKOU-AWEZNQCLSA-N 315.329 1.780 30 50 DDEA C=CCN1CCN(c2cc(CC)nc(N3CCOCC3)n2)CC1 65455707 PVJKVYJJRSBAJP-UHFFFAOYSA-N 317.437 1.184 30 50 DDEA Cc1nc(C)n(C2CN(C(=O)CC/N=C(/O)OC(C)(C)C)C2)n1 328589794 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CNC(=O)C[C@@]1(O)CCCN(c2nc(C)cc(C)c2C#N)C1 591621087 MBKUBRKDDNLOCL-INIZCTEOSA-N 302.378 1.038 30 50 DDEA CCc1cccnc1/C(O)=N/CC(C)(C)N1CCS(=O)CC1 330556868 FTZLUHSTQZFHAG-UHFFFAOYSA-N 323.462 1.792 30 50 DDEA O/C(=N/[C@@H]1[C@H]2COC[C@H]21)N1CCC[C@](O)(C(F)(F)F)CC1 329373067 JTBAHOJHOPVNBM-FYLLDIAZSA-N 308.300 1.325 30 50 DDEA C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@](C)(C(=O)O)C1 237680101 GCMHRXHWFPGSFG-ZBEGNZNMSA-N 302.330 1.649 30 50 DDEA N#C[C@@]12C=C[C@@H]1[C@H]1C=C[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n21 247652268 NSULHBDHVWVZNM-WBOJAVRRSA-N 304.309 1.162 30 50 DDEA C=C1CC(CC(=O)N2CCC(n3[nH]c(C4CC4)nc3=O)CC2)C1 1875308558 LDJHBDOGQJFZDV-UHFFFAOYSA-N 316.405 1.969 30 50 DDEA CC(=O)N1CCO[C@H]2CCN(c3c(C#N)cccc3C#N)C[C@H]21 886051572 GQAMCKSYEQIZKB-CVEARBPZSA-N 310.357 1.256 30 50 DDEA CCn1cc(CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 192241653 GQIBNPPSXBMKLX-KRWDZBQOSA-N 323.400 1.665 30 50 DDEA COc1cc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc(OC)c1O 15007574 GJFQKDBQPDCNHZ-VIZOYTHASA-N 304.306 1.247 30 50 DDEA CN1CCN(c2cccnc2C#N)C[C@@H]1c1nc(C2CC2)no1 377985391 KSAJISNTJUSVPA-CQSZACIVSA-N 310.361 1.707 30 50 DDEA CC#CC(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 922284017 LYSDAFCLYXCHKK-SFHVURJKSA-N 312.369 1.040 30 50 DDEA CN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[C@@H](C2CC2)O1 2325782689 VWFGLIRAPJOGBL-STQMWFEESA-N 301.412 1.014 30 50 DDEA C#CCCC1(CCNC(=O)[C@H](O)c2cccc3c2OCC3)N=N1 2325887389 MYZNCRFUQTUGCD-CQSZACIVSA-N 313.357 1.737 30 50 DDEA C[C@](C#N)(NC(=O)CN1CCO[C@@H](c2nccs2)C1)C1CC1 222210278 NPSGOFTTYMAWLP-IUODEOHRSA-N 320.418 1.325 30 50 DDEA CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 110534885 WSMOQTFMRPMQJU-CZUORRHYSA-N 309.410 1.316 30 50 DDEA N#Cc1ccc(C(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)nc1 299746498 XUBFJMLEFMRTAB-AWEZNQCLSA-N 322.372 1.727 30 50 DDEA CN1C[C@@]2(C)CN(C(=O)CNc3ccc(C#N)cc3)C[C@@]2(C)C1 863947931 SCNXATUYPJQJDS-HDICACEKSA-N 312.417 1.770 30 50 DDEA C=C1CCN(C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CC2)CC1 1875274976 JHPUSOGCOBXVMB-CYBMUJFWSA-N 316.467 1.250 30 50 DDEA O=C(NCCCNCc1ccccc1)c1ccc(/C=N/O)nc1 2231548 SACUPWCAQVSODH-FYJGNVAPSA-N 312.373 1.799 30 50 DDEA CN(CC(=O)N1CCN2CCCC[C@H]2C1)c1ccc(C#N)cn1 248027721 SOJYLGJBORLMCU-HNNXBMFYSA-N 313.405 1.086 30 50 DDEA CNC(=O)C[C@@]1(O)CCCN(Cc2ccc(Cl)cc2C#N)C1 591648698 XQGRZOGFPJPKHY-INIZCTEOSA-N 321.808 1.675 30 50 DDEA C#CCN(C[C@H](O)CN1CCOCC1)[C@H]1CCc2ccccc21 110657164 QDKKZHFMMCJDRK-MJGOQNOKSA-N 314.429 1.302 30 50 DDEA Cc1[nH]nc(NC(=O)[C@@H](C)Cn2ncc3ccccc32)c1C#N 357236199 YMFRCFPMHKWSNF-JTQLQIEISA-N 308.345 2.214 30 50 DDEA N#Cc1cc2c(=O)n(CCNc3ccccc3)ccc2[nH]c1=O 67820592 FONSVPHGVQEHSR-UHFFFAOYSA-N 306.325 1.674 30 50 DDEA Cc1c(C(=O)N(C)C)sc(NC(=O)c2ccn(C)n2)c1C#N 2782185 IIJCYIUWTNIYFM-UHFFFAOYSA-N 317.374 1.616 30 50 DDEA Cc1noc([C@@H]2CCN(/C(O)=N/Cc3snnc3C)C2)n1 330260723 OOPKBHVBVJERBV-SECBINFHSA-N 308.367 1.441 30 50 DDEA COC(=O)[C@H](C[C@H](CC#N)C(=O)OC)NC(=O)OC(C)(C)C 135653878 QVTOOWHELURIDU-UWVGGRQHSA-N 314.338 1.146 30 50 DDEA C[C@@H](O)Cc1cn(C2CCN(c3ncccc3C#N)CC2)nn1 19812494 QSNRBIFTIVIFMD-GFCCVEGCSA-N 312.377 1.310 30 50 DDEA N#Cc1ccc(C(=O)NCCc2noc(C3CCCC3)n2)cn1 221174806 XNBNWXLFGMELMP-UHFFFAOYSA-N 311.345 1.966 30 50 DDEA N#Cc1cccc(CN2CCN(c3ccncc3)C[C@H](O)C2)c1 97772735 NQQZCVKVFDHCIV-GOSISDBHSA-N 308.385 1.636 30 50 DDEA N#Cc1cc2n(n1)CCCN(S(=O)(=O)c1ccccc1)C2 826805698 QURRVPQASYXIMJ-UHFFFAOYSA-N 302.359 1.349 30 50 DDEA C=CCC(O)(CC=C)CNC(=O)C1CCN(C(=O)N(C)C)CC1 670447862 BJQCVENXEPVWAS-UHFFFAOYSA-N 323.437 1.380 30 50 DDEA C#CCCC1(CCC(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)N=N1 952881173 LGWFHDAGYLHBGA-LSDHHAIUSA-N 318.421 1.664 30 50 DDEA CN1CCc2ncnc(N(C)C[C@@H](O)c3cccc(C#N)c3)c2C1 1616029690 OGNNBCHGSDYOCY-QGZVFWFLSA-N 323.400 1.506 30 50 DDEA C=CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1OC)C(=O)O 159602022 GEXUCQNZQWAACT-SECBINFHSA-N 319.766 1.656 30 50 DDEA N#Cc1cnn2c(=O)nc(SCC3([C@@H]4CCCO4)CC3)[nH]c12 2325783606 LHBXLYDHBJDLJR-JTQLQIEISA-N 317.374 1.341 30 50 DDEA N/C(=N\OC(=O)c1ccc(Br)o1)c1ccccn1 3906089 HGTKRUGEOLERKS-UHFFFAOYSA-N 310.107 1.914 30 50 DDEA C=CCOC[C@H](NC(=O)Cc1c(C)[nH]c2ccccc12)C(=O)O 262972426 KBNHQZWYSZRSJB-HNNXBMFYSA-N 316.357 1.791 30 50 DDEA C=CCN1C[C@@H](C(=O)N(CCO)Cc2ccccc2)CC1=O 828754200 QSSHQECGDHBHGG-HNNXBMFYSA-N 302.374 1.042 30 50 DDEA CCCCCCCCn1c(N(C)C)nc2c1c(=O)[nH]c(=O)n2C 2255694 CRWROUZTCZZVFH-UHFFFAOYSA-N 321.425 1.850 30 50 DDEA C=CCN1CCN([C@H](C(=O)O)c2cc(F)ccc2OC)CC1 55053769 VUELKFUBZMVOJK-HNNXBMFYSA-N 308.353 1.764 30 50 DDEA CCCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 170006823 IDQJXLKCBYWQCJ-UHFFFAOYSA-N 304.199 1.911 30 50 DDEA CCC#CCn1nc(C2CCNCC2)n(-c2ccccc2)c1=O 67771478 TXEZYRNXCQQZJN-UHFFFAOYSA-N 310.401 1.914 30 50 DDEA C=CCN(C)C[C@@]1(O)CCCN(CCc2ccccc2)C1=O 67756940 YVIDNXZVGGYSIQ-SFHVURJKSA-N 302.418 1.700 30 50 DDEA Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]([C@H](C)N)C1 261595934 JIJYINILJGHBED-GXTWGEPZSA-N 307.419 1.615 30 50 DDEA N#Cc1ccc(NC(=O)NC[C@]2(O)CCCNC2)c2ccccc12 97259356 RPZLJEMOGWHCNV-SFHVURJKSA-N 324.384 1.947 30 50 DDEA Cc1cc(CN(C)C(=O)c2ccc(C#CC(C)(C)O)o2)no1 584887166 LEQKMUMPMNARJW-UHFFFAOYSA-N 302.330 1.971 30 50 DDEA Cc1cccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)O)c1C#N 275166563 BJJJDAFOQXJOFP-VIFPVBQESA-N 318.301 1.253 30 50 DDEA CCOC(=O)COC(=O)C1CCN(c2oc(C)nc2C#N)CC1 170619241 FMNYRMUYEDFYQR-UHFFFAOYSA-N 321.333 1.177 30 50 DDEA C=CCNS(=O)(=O)c1cc(Br)ccc1OC 16626927 APJUAORMHPQMJD-UHFFFAOYSA-N 306.181 1.922 30 50 DDEA C=CCN1CC[C@@H](O)[C@]2(CCCN(C(=O)C(C)(C)OCC)C2)C1 1857706166 CGNFURIKGTVVIP-CRAIPNDOSA-N 324.465 1.663 30 50 DDEA C#CCCC1(CCNC(=O)CCc2cnc3n2CCNC3)N=N1 2325901157 WCEFQEGLTGWJBO-UHFFFAOYSA-N 314.393 1.001 30 50 DDEA COc1ccc(C#N)cc1CN1C[C@H](O)C[C@@H]1c1nc(C)no1 328636509 VNFQRHGLYFMKCF-ZIAGYGMSSA-N 314.345 1.566 30 50 DDEA N#Cc1ccccc1OCCN1CCOC[C@@H]1[C@H]1CCC[C@H]1O 284666301 DMEQUOSWQFZCQM-BRWVUGGUSA-N 316.401 1.799 30 50 DDEA CC(C)Cc1cc(C(=O)N2CCC[C@](C)(C#N)C2)nc(N)n1 584884646 NCZYISYXFLAKON-MRXNPFEDSA-N 301.394 2.023 30 50 DDEA N#Cc1cccc(N2CCC(C(=O)NCc3cccnc3)CC2)n1 195545971 BVZPGUCYZGDKDO-UHFFFAOYSA-N 321.384 1.881 30 50 DDEA NC(=S)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 440657 NCEBMWBKIITDMR-LICLKQGHSA-N 320.418 1.245 30 50 DDEA CCNC(=S)N/C(N)=N\c1nc(C)c2cc(C)ccc2n1 13519188 MVIQVAKBTNQPHQ-UHFFFAOYSA-N 302.407 1.677 30 50 DDEA COc1cccc(OC)c1C(=O)O/N=C(\N)c1ccncc1 18093496 OZEFPPKPFJGKSL-UHFFFAOYSA-N 301.302 1.576 30 50 DDEA CCN1CCN(C(=O)c2cccc(C#N)c2)C[C@H]1c1ncc[nH]1 328620596 HBWFMQJGOVUEJI-HNNXBMFYSA-N 309.373 1.800 30 50 DDEA Cc1cnc([C@@]2(NC(=O)c3ccc(F)c(C#N)c3)CCOC2)[nH]1 818668469 RYJPUNQHSHPATO-MRXNPFEDSA-N 314.320 1.775 30 50 DDEA CCn1cc([C@@H]2OCC[C@H]2CNCc2cc(C#N)n(C)c2)cn1 414508371 XRAOVGIBHAAORO-WMLDXEAASA-N 313.405 1.981 30 50 DDEA C=CCS[C@H](C)C(=O)N1CCN(C)C2(CCN(C)CC2)C1 67787382 NZUCLERWOVNHCN-CQSZACIVSA-N 311.495 1.533 30 50 DDEA Cc1nc(C(=O)N2CCN[C@@H](c3ccncc3)C2)ccc1C#N 368524465 AYDPEEHUEUVHIL-MRXNPFEDSA-N 307.357 1.443 30 50 DDEA CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cncc(C#N)c1 289450420 AJMWIFPXHUXLEY-ZDUSSCGKSA-N 308.407 1.058 30 50 DDEA CO[C@@H]1C[C@H](c2nnc(C)o2)N(c2nc3ccccn3c2C#N)C1 952852974 SEMJJITVEATSIL-VXGBXAGGSA-N 324.344 1.864 30 50 DDEA Cn1ncc(C(=O)O)c1C(=O)N1CCc2cc(C#N)ccc2C1 1875293747 AYHYRGLWGFODQU-UHFFFAOYSA-N 310.313 1.188 30 50 DDEA CC#CC(=O)N1CCC[C@@H]([C@@H](O)c2ccc(F)c(C#N)c2)C1 1875386856 AYXLBUAYEGNSRP-DYVFJYSZSA-N 300.333 1.993 30 50 DDEA Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2ccc(C#N)n2C)cn1 888095393 ZLNFSTBPSSEUJS-DZGCQCFKSA-N 313.361 1.360 30 50 DDEA C#CCCC1(CCNC(=O)c2cc(O)c3cnn(C)c3c2)N=N1 2325887402 OFYFQHWNQZJSNX-UHFFFAOYSA-N 311.345 1.974 30 50 DDEA N#Cc1ccc(C(=O)NCC(=O)Nc2ccc3[nH]nnc3c2)cc1 133775964 RXMYZWFQIFMUGF-UHFFFAOYSA-N 320.312 1.198 30 50 DDEA COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CC(=O)O)cc1 283225 LQHLXOBIIJVCHE-CYBMUJFWSA-N 305.286 1.064 30 50 DDEA biogenic COCCCn1c(=N)c(C#N)cc2c(=O)n3ccccc3nc21 100660206 HNJNUTQNDQSYBZ-UHFFFAOYSA-N 309.329 1.037 30 50 DDEA C=CCOc1ccccc1C(=O)N1CC[C@H](O)C[C@@H]1C(=O)O 65417238 QVZJCHGEASKCDY-WCQYABFASA-N 305.330 1.302 30 50 DDEA N#Cc1ccc(C(=O)N2CC[C@](CO)(c3ccccc3)C2)cn1 366020405 ABFLQOJVTFXVGG-SFHVURJKSA-N 307.353 1.729 30 50 DDEA N#Cc1c(F)ccc(NS(=O)(=O)C[C@@H]2CCCCO2)c1N 585136946 ZOHBVFNTSZERBT-VIFPVBQESA-N 313.354 1.590 30 50 DDEA C=CCOc1cc(OC)ccc1C(=O)N1C[C@H](OC)[C@H](OC)C1 170612259 UGIBFJDRQRAOOH-IYBDPMFKSA-N 321.373 1.746 30 50 DDEA C#CCN(C(=O)c1cn(C[C@H]2CCCO2)nn1)C1CCCCC1 12467720 RXOUCKMTFBBLHM-OAHLLOKOSA-N 316.405 1.865 30 50 DDEA CC(C)(C)NC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 170006908 LFKJFFQMNZVMID-UHFFFAOYSA-N 318.226 1.838 30 50 DDEA Cn1cc(C#N)cc1C(=O)N1CCC[C@@](O)(C(F)(F)F)CC1 375861113 LPLZOWIMYHVYKR-ZDUSSCGKSA-N 315.295 1.816 30 50 DDEA CCc1nnc(CNC(=O)c2ccc(C#CC(C)(C)O)o2)s1 223642243 CFCBBCWSTHKINA-UHFFFAOYSA-N 319.386 1.746 30 50 DDEA CCN(CCC#N)C(=O)Cn1cnc2cc(F)c(C)cc2c1=O 182277740 LWJGFCJLSAPLAO-UHFFFAOYSA-N 316.336 1.606 30 50 DDEA Cc1nc(N2CC[C@@H](c3cc(O)nc(N(C)C)n3)C2)ccc1C#N 864311498 ACNGHSNMDGPCQA-CYBMUJFWSA-N 324.388 1.817 30 50 DDEA CNC(=O)[C@]12CCOC[C@H]1CN(c1cc(Cl)ccc1C#N)C2 952851330 XYLRNMLOFDMBCG-WBMJQRKESA-N 319.792 1.801 30 50 DDEA C#C[C@@H](NC(=O)c1ccc(N2CCCC2)nn1)C1CCOCC1 583651889 UUVYRRORRMLITI-CQSZACIVSA-N 314.389 1.235 30 50 DDEA COc1ccc(C#N)cc1CN1CCC[C@H](c2nc(O)n[nH]2)C1 377486908 VOZKGRWKUYBARK-LBPRGKRZSA-N 313.361 1.770 30 50 DDEA CO[C@@]1(c2nnc(COc3cccc(F)c3C#N)o2)CCOC1 591600391 VLRPSMOBBUMGCV-HNNXBMFYSA-N 319.292 1.921 30 50 DDEA CC(C)OC1(CNS(=O)(=O)CC2(CC#N)CC2)CCC1 872569336 JZSOUCJEVKSNQJ-UHFFFAOYSA-N 300.424 1.947 30 50 DDEA C=CCn1cc(CN[C@@H](C)c2nncn2CCCOC)c(C)n1 55402093 CEGKGXSNQMBJBR-AWEZNQCLSA-N 318.425 1.856 30 50 DDEA COc1ccc(CCN/C(C)=C2/C(=O)COC2=O)cc1OC 100319955 YPEYSGSGHSZOTM-GDNBJRDFSA-N 305.330 1.236 30 50 DDEA C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@H]2C(=O)NC)CC1 334011058 PMBNMBNNQGQDGJ-CABCVRRESA-N 322.453 1.241 30 50 DDEA C=CCn1nnnc1SCc1c(OC)cccc1C(=O)OC 585119106 QZWJYZWDMQGZOZ-UHFFFAOYSA-N 320.374 1.947 30 50 DDEA CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccc[nH]2)cc1 237408 DBPPSMUQUPMLBG-OQLLNIDSSA-N 306.347 1.286 30 50 DDEA CCN(CC)CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1C#N 225535682 ADLJGIMGQPRCDZ-CYBMUJFWSA-N 306.366 1.971 30 50 DDEA CCc1ncc(N/C(O)=N/C2CCN(C(=O)C3CC3)CC2)cn1 328620117 WOBNZUJSHBQEIU-UHFFFAOYSA-N 317.393 1.766 30 50 DDEA Cc1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)c(C#N)c1C 242302274 YQZAWDGLVNGLGP-BZNIZROVSA-N 302.378 1.739 30 50 DDEA N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@@H]1C[C@H]1C1CC1 160072741 URSGICCCFARAAJ-VHSXEESVSA-N 308.334 1.548 30 50 DDEA C=CC[C@]1(C(=O)O)CCCN(C(=O)c2c[nH]c(=O)c(Cl)c2)C1 92097154 BPNQKGQOXDDGOE-HNNXBMFYSA-N 324.764 1.911 30 50 DDEA CCCCCCCC(=O)N1CCO[C@H](Cn2cc(CO)nn2)C1 1775999714 WROFXYGVIUXXGN-HNNXBMFYSA-N 324.425 1.358 30 50 DDEA CCOC(=O)C(F)(F)[C@H](NC(=O)c1ccc(C#N)cn1)C1CC1 585087154 TXDWOXKBAAYNDR-GFCCVEGCSA-N 323.299 1.660 30 50 DDEA CCOCCC/N=C(/NCc1ccco1)[C@@H](C#N)C(=O)OC 225503017 IDAYXLFFZUQPSX-CYBMUJFWSA-N 307.350 1.507 30 50 DDEA CC(C)(C)CS(=O)(=O)NC(=O)COc1ccc(C#N)cc1 112762047 PBRSCNYEJILCQK-UHFFFAOYSA-N 310.375 1.429 30 50 DDEA CN(C)Cc1ccc(N2CCN(c3cnc(C#N)cn3)CC2)nc1 124029408 HJVIXWSFCFBEBA-UHFFFAOYSA-N 323.404 1.131 30 50 DDEA C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](C(N)=O)C1 229264489 DDMXHNAINQVLEY-QWHCGFSZSA-N 321.446 1.458 30 50 DDEA N#Cc1ccc(OC[C@@H](O)CN2CCc3ncccc3C2)cc1 372155394 FNRJJCITHIIENP-INIZCTEOSA-N 309.369 1.751 30 50 DDEA Cn1cc(C#N)cc1C(=O)OC[C@@H]1CNC(c2ccccc2)=NO1 132583505 AURZZTQGPOPAQD-AWEZNQCLSA-N 324.340 1.404 30 50 DDEA CCN(C)C[C@@H]1CN(c2nc(C)cc(C)c2C#N)C[C@@H]1CO 91625088 DMBIAAIBMFAQKA-HUUCEWRRSA-N 302.422 1.567 30 50 DDEA CC(C)(O)C#Cc1ccc(CN2CCO[C@H](C(=O)O)C2)s1 828488895 FLTRYWOTSRWGPP-ZDUSSCGKSA-N 309.387 1.156 30 50 DDEA N#Cc1ccc(OCCN2CCC[C@@](O)(c3cnn[nH]3)C2)cc1 583618066 ZKECJARTZHQTIP-INIZCTEOSA-N 313.361 1.039 30 50 DDEA N#Cc1cc2cccnc2nc1N1CCO[C@H]([C@@H]2CCCO2)C1 596157514 WUNJRLMDBJVXBV-GJZGRUSLSA-N 310.357 1.886 30 50 DDEA N/C(=N\OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 18250230 OIAZCNLRFSHNDZ-UHFFFAOYSA-N 322.302 1.016 30 50 DDEA CCCc1nc(SCC(=O)NC2CCCC2)[nH]c(=O)c1C#N 5239091 BYSTXXSLKGFBKQ-UHFFFAOYSA-N 320.418 1.745 30 50 DDEA Cc1cc(CNC(=O)NCCOc2ccc(C#N)cc2)n(C)n1 225458936 QYCOFRPZILHIKO-UHFFFAOYSA-N 313.361 1.478 30 50 DDEA C#CCCC1(CCNC(=O)c2cncc3c2CCNC3=O)N=N1 2325891387 CNSSPQZBLROANH-UHFFFAOYSA-N 311.345 1.063 30 50 DDEA C=CCc1cc(OC)ccc1OCCON1C(=O)CCC1=O 2868278 CXVSDEXFJBHRKI-UHFFFAOYSA-N 305.330 1.883 30 50 DDEA C=CCn1cc(CN2CC[C@](CCC)(C(=O)O)[C@H](O)C2)cn1 2356153730 SGTGEDDYCNFVSZ-ZBFHGGJFSA-N 307.394 1.507 30 50 DDEA C=C(C)COc1cccc(C(=O)N2CCOC[C@H]2CC(=O)O)c1 55060807 SOHCJNJSYYCCDF-CQSZACIVSA-N 319.357 1.957 30 50 DDEA C#CCN(C)Cc1cn(CCN2CCN3CCC[C@@H]3C2)nc1C 65505659 OPXACGGJXUAWIE-GOSISDBHSA-N 315.465 1.037 30 50 DDEA CC#CCNC(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 135573532 SHUKOHXOQBXOBQ-ZDUSSCGKSA-N 317.389 1.605 30 50 DDEA CN1CCN(/C(O)=N/Cc2cscn2)C[C@@H]1c1nccn1C 328636959 VVHQFFBTSONQON-GFCCVEGCSA-N 320.422 1.279 30 50 DDEA C[C@H](/N=C(/O)N1CC[C@@H](c2nccn2C)C1)c1cnn(C)c1 328800316 YHBVHTXJFKQUBB-NWDGAFQWSA-N 302.382 1.618 30 50 DDEA C=CCN1CC2(CCC1=O)CCN(c1cc(C)nc(N)n1)CC2 91997695 AAPCKOGGXVXILI-UHFFFAOYSA-N 315.421 1.762 30 50 DDEA CCO[C@H]1C[C@@H](O)C12CCN(c1ccnc(OC)c1C#N)CC2 91807689 GQYBRMPVAPPERF-CABCVRRESA-N 317.389 1.718 30 50 DDEA CCN(CC)C(=O)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 299780321 ATGFHIAYHQSTGL-UHFFFAOYSA-N 302.378 1.607 30 50 DDEA C#CCCC1(CCC(=O)NCc2ncc(OC)c(O)n2)N=N1 1875381853 JKQNKGMEWPSJTB-UHFFFAOYSA-N 303.322 1.163 30 50 DDEA CCCNC(=O)CNC(=O)c1cccc(C#CC(C)(C)O)c1 952988494 OOOYGLNKZZNSPW-UHFFFAOYSA-N 302.374 1.065 30 50 DDEA C#C[C@H](C)NC(=O)c1csc(I)n1 408523428 RPJBCZDJGVOYSO-YFKPBYRVSA-N 306.128 1.499 30 50 DDEA N#Cc1cccc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)c1 685939963 ZILSADFPSMRSBJ-AWEZNQCLSA-N 302.330 1.415 30 50 DDEA C#CCN1CCCN(C(=O)c2ccnc(-c3ncc[nH]3)c2)CC1 585117874 NMLXHBYEPLOFOS-UHFFFAOYSA-N 309.373 1.253 30 50 DDEA COc1cc(/C=N/c2ccc(S(N)(=O)=O)cc2)ccc1O 288484 JTTYFZDJLZNVDJ-CXUHLZMHSA-N 306.343 1.799 30 50 DDEA C[C@H](C(=O)O/N=C(\N)c1cccnc1)c1ccc([N+](=O)[O-])cc1 6175491 MZARBBXWEPWNRA-JTQLQIEISA-N 314.301 1.957 30 50 DDEA C=CCN1C(=O)NC(=O)[C@H](Cc2ccc(OC)c(OC)c2)C1=O 2999882 NNMGFXIYGXIDHC-NSHDSACASA-N 318.329 1.127 30 50 DDEA biogenic,in-vitro C=CCn1nnnc1NCc1cc(OC)c(OC)cc1OC 7601977 GHHSJNHIAZRJFK-UHFFFAOYSA-N 305.338 1.497 30 50 DDEA O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc(O)cc1O)[C@H]1C=C[C@H]2C12CC2 105209459 AOSRHVBECSSYLY-PLWLVUGHSA-N 324.336 1.629 30 50 DDEA CCOC(=O)C(=NNc1ccccc1[N+](=O)[O-])C(=O)OCC 4159283 AXKOQCFOAAOZIU-UHFFFAOYSA-N 309.278 1.489 30 50 DDEA biogenic CN1CCO[C@H](CN(CC(=N)O)/C(O)=N/Cc2ccccc2)C1 328622324 BDCGVGKQAWLGLX-AWEZNQCLSA-N 320.393 1.268 30 50 DDEA Cc1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)c(C#N)c1C 242302275 YQZAWDGLVNGLGP-MEDUHNTESA-N 302.378 1.739 30 50 DDEA O=[S@+]1(O)C[C@@H]2NC(=S)N(c3ccc(F)c(Cl)c3)[C@H]2C1 334158204 YBHZVLVARKWXHZ-UWVGGRQHSA-P 321.806 1.897 30 50 DDEA CC(=O)N[C@@H]1CN(c2cccc(C#N)n2)C[C@H]1c1ccc(C)o1 91665842 LTUYACVLSPCPJV-HUUCEWRRSA-N 310.357 1.963 30 50 DDEA C=C[C@H](C)[C@H](OCOC)[C@@H]1O[C@H]1C(=O)CO[C@@H]1CCCCO1 257357964 RABFALAJFBIISA-TXUJKZCJSA-N 314.378 1.677 30 50 DDEA CN(C)C(=O)C[C@@H]1CN(c2ccc(C#N)cc2Cl)C[C@H]1O 1875398279 JUXYGSKYDKLTTH-BXUZGUMPSA-N 307.781 1.487 30 50 DDEA O=C(N[C@@H]1CCCN(C(=O)[C@H]2CO2)C1)OCc1ccccc1 1875373138 URWZRFPXGNDHQP-ZIAGYGMSSA-N 304.346 1.303 30 50 DDEA CCOC1CC(CNc2ncccc2C#N)(N2CCOCC2)C1 278112605 XLIRJGALCPFRGQ-UHFFFAOYSA-N 316.405 1.635 30 50 DDEA Cc1ccc(NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)nc1C#N 583618248 ZXRGJYJFSCFPJN-KBXCAEBGSA-N 324.432 2.490 30 50 DDEA C=CC[C@@H](C)NC(=O)CSc1ccc(S(N)(=O)=O)cc1 585135605 SGLDODSPSMCUSD-SNVBAGLBSA-N 314.432 1.507 30 50 DDEA COc1cc(/C=N/n2cnnc2)ccc1OC(=O)c1cccnc1 452221 IQWJOVUIMLVYFJ-DNTJNYDQSA-N 323.312 1.783 30 50 DDEA Cc1cc(C[C@@H]2CN(c3nc(C)c(C)cc3C#N)C[C@H]2O)n[nH]1 1704326338 VLXHSLAYUAMWES-GDBMZVCRSA-N 311.389 1.641 30 50 DDEA Oc1ccc(/C=N/n2c(S)nnc2-c2cccnc2)cc1O 1249123 IABJNKOHNGHMJY-FRKPEAEDSA-N 313.342 1.922 30 50 DDEA CN(C)C(=O)C[C@]1(O)CCCN(Cc2ccc(C#N)cc2F)C1 591628990 BWYVGRIVWIPHSK-QGZVFWFLSA-N 319.380 1.503 30 50 DDEA CCOC(=O)c1c(NC(=O)CC#N)sc(C(=O)N(C)C)c1C 6047043 MJFDZBKJWWADMF-UHFFFAOYSA-N 323.374 1.787 30 50 DDEA N#Cc1ncn(CC(=O)c2ccc3c(c2)CCN3C=O)c1C#N 126297934 KSLLQIONRHPCDW-UHFFFAOYSA-N 305.297 1.028 30 50 DDEA Cc1noc([C@@H](/N=C(/O)c2cccnc2O)C2CCOCC2)n1 328611333 LGYOJOUJAMWMIC-LBPRGKRZSA-N 318.333 1.951 30 50 DDEA CC#CC(=O)NC12CCC(CNC(=O)OC(C)(C)C)(CC1)OC2 1875370292 JJHWAVNGZWKXGE-UHFFFAOYSA-N 322.405 1.732 30 50 DDEA Cc1cc(F)cc(C#N)c1S(=O)(=O)N(C)[C@H](C)C(=O)O 600891509 RUHVZIXLGWWDAU-MRVPVSSYSA-N 300.311 1.099 30 50 DDEA Cc1ccc(N=C(O)N2CCN(C)[C@H](c3nccn3C)C2)cn1 328625995 LIBKKDTXXAJWFC-AWEZNQCLSA-N 314.393 1.658 30 50 DDEA CCOCCN1CCN(c2nc(C)cc(C#N)n2)C[C@@H]1CC 281209972 QEJAKYGBWAVWIY-HNNXBMFYSA-N 303.410 1.594 30 50 DDEA N/C(Cn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)=N\O 57352224 LCIPBGIKRZOGBJ-UHFFFAOYSA-N 301.281 1.049 30 50 DDEA Cn1ccnc(N2CCC(Nc3ncccc3C#N)CC2)c1=O 328640894 QHVCMFQYUAUSAB-UHFFFAOYSA-N 310.361 1.128 30 50 DDEA CC(=O)N(C[C@@H]1CCCN1/C(O)=N/CC[C@H]1CCCO1)C1CC1 328656363 ZGJGKXHABBYBBN-JKSUJKDBSA-N 323.437 1.945 30 50 DDEA Cc1cc(C#N)nc(N2C[C@@H](CN(C)C)[C@H](CN(C)C)C2)c1 894870292 DXNSANTUFLICID-HUUCEWRRSA-N 301.438 1.437 30 50 DDEA CC(C)[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1C(C)C 408519642 KPDHFBYNMYPLAQ-QWHCGFSZSA-N 304.394 1.072 30 50 DDEA CC1(C)OB(c2ccc(CC(=O)NC3CC3)cc2)OC1(C)C 169936130 OMUSBQSFTZGDAM-UHFFFAOYSA-N 301.195 1.807 30 50 DDEA in-vitro COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]2C[C@@]21CO 1615585385 DMFPVDIOFUEPEE-IUODEOHRSA-N 322.386 1.102 30 50 DDEA C[C@@H]1O[C@H]1C(=O)NCc1ccccc1I 2325826838 OAWSISBQJYSGQP-OIBJUYFYSA-N 317.126 1.695 30 50 DDEA COc1cc(/C=N/NS(=O)(=O)c2ccccc2)ccc1O 3526548 DEIGVSHJRSHWFQ-XNTDXEJSSA-N 306.343 1.713 30 50 DDEA CN1CCN(C(O)=Nc2ccc(F)cn2)C[C@@H]1c1ncc[nH]1 328627981 NGNOEYYSEYQEPR-LLVKDONJSA-N 304.329 1.478 30 50 DDEA C=CCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1 2503748 GOLXOMJWODGQTR-UHFFFAOYSA-N 305.382 1.263 30 50 DDEA CCC#CCN1CCC[C@@H](c2nnc(Cn3cccn3)n2C)C1 95372444 BYRSTNUVFQCBGZ-OAHLLOKOSA-N 312.421 1.653 30 50 DDEA N#Cc1cc2n(n1)CCN([C@H]1CCN(c3ccc(F)cc3)C1)C2 584897325 XMBZNFCHXHZCQB-INIZCTEOSA-N 311.364 1.988 30 50 DDEA CC[C@@H](Sc1n[nH]c(N)n1)C(=O)Nc1ccccc1C#N 5907825 MILJKHGQAOGRKX-SNVBAGLBSA-N 302.363 1.768 30 50 DDEA CC(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(F)c1 19790301 MBVCCQXSDOVWQV-CQSZACIVSA-N 306.337 1.672 30 50 DDEA Cn1cc(C#N)cc1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 360735030 PSOOMQQFIOTHLH-QGZVFWFLSA-N 320.352 1.982 30 50 DDEA CN(C)C(=O)C[C@@]1(O)CCCN(c2cccc(F)c2C#N)C1 591617567 FAYLKJWUDWOLQO-INIZCTEOSA-N 305.353 1.507 30 50 DDEA C[C@@H](CC(N)=O)N(C)S(=O)(=O)c1ccc(C#N)cc1Cl 952975520 YVEXDMLAFLNNAF-QMMMGPOBSA-N 315.782 1.096 30 50 DDEA C#C[C@@](C)(CC)NC(=O)Cn1nnc(-c2ccccc2F)n1 4717399 AGVIJIGIHNMPKY-HNNXBMFYSA-N 301.325 1.397 30 50 DDEA C#CCCC1(CCC(=O)NC[C@@]2(C)COC[C@H]3CCCN32)N=N1 2325893858 XLTDZUDYKZTPSU-ZBFHGGJFSA-N 318.421 1.712 30 50 DDEA N#Cc1cc2c(nc1SCC(=O)N1CCOCC1)CCCC2 319883 LDCWTZCTDLSJIA-UHFFFAOYSA-N 317.414 1.783 30 50 DDEA N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=N 100080033 DWMVHZAOXJMTIL-UHFFFAOYSA-N 317.308 1.642 30 50 DDEA COC1=CC(=C2C=C(OC)C(=O)C(OC)=C2)C=C(OC)C1=O 64633529 WASNBVDBYSQBPH-UHFFFAOYSA-N 304.298 1.570 30 50 DDEA in-vitro O/C(Cc1cncnc1)=N/C[C@H]1CCN(CC(F)(F)F)C1 329891473 HXJZDMMXJICQMC-SNVBAGLBSA-N 302.300 1.860 30 50 DDEA N#Cc1cccc(S(=O)(=O)NC(=O)c2sccc2F)c1 253417038 GSRWSWUCZDXOQR-UHFFFAOYSA-N 310.331 1.878 30 50 DDEA CC(=O)N(C[C@@H]1CCCN1C/C(O)=N/C1CCOCC1)C1CC1 328621146 AIHBHPRDBRIRQA-INIZCTEOSA-N 323.437 1.597 30 50 DDEA Cc1cccc(N=C(O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)n1 328631649 REZIMLBCEBDSCW-GFCCVEGCSA-N 300.366 1.647 30 50 DDEA COCC1(O)CCN(/C(O)=N/[C@H](C)C2=CCN(C)CC2)CC1 329297262 KWEHGEYDIYQOTJ-CYBMUJFWSA-N 311.426 1.024 30 50 DDEA Cc1nc(N2CCC[C@H](c3nc(=O)[nH][nH]3)C2)c(Cl)cc1C#N 292502871 FYDHYVMHIXVFGW-VIFPVBQESA-N 318.768 1.711 30 50 DDEA C#CCCC1(CCC(=O)N2CCOC[C@H]2c2ncnn2C)N=N1 952879710 ADHOQFYNXJGDJM-LBPRGKRZSA-N 316.365 1.071 30 50 DDEA COC(=O)[C@@H]1CCc2nnc(COc3ccc(C#N)cc3)n2C1 601044462 NOUNKXMCGKZPRY-GFCCVEGCSA-N 312.329 1.464 30 50 DDEA COC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238261 VJXCAKHBMDQMKB-VIFPVBQESA-N 315.354 1.962 30 50 DDEA Cc1ocnc1C/N=C(/O)N1CCC[C@H](CS(C)(=O)=O)C1 330307914 SLCXOXSKTIPUES-NSHDSACASA-N 315.395 1.154 30 50 DDEA CN1CCO[C@H](CN(CC2CC2)C(=O)c2c[nH]c(C#N)c2)C1 252550895 TTZNIPUAIASAHN-HNNXBMFYSA-N 302.378 1.069 30 50 DDEA C=CC[C@H]1NC(=O)N(c2nnn(Cc3ccncc3)c2C)C1=O 1120002822 CQSCKJKDUIBTKC-GFCCVEGCSA-N 312.333 1.031 30 50 DDEA C#CCCC1(CCNC(=O)c2cccc(-n3cncn3)n2)N=N1 2325891600 PWCMWTFXAQOIFU-UHFFFAOYSA-N 309.333 1.358 30 50 DDEA C[C@H](C#N)NC(=O)CCn1c(S)nc2ccccc2c1=O 125442697 QBYLBMTYVWTNSH-SECBINFHSA-N 302.359 1.104 30 50 DDEA CN1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(C#N)cn2)C1 328654224 XIFUZVMPXAXBGU-HNNXBMFYSA-N 314.389 1.136 30 50 DDEA C=CCN(Cc1ccccn1)C(=O)C(=O)N1CCCCCC1 71774431 JMGGGNDJHBZLQN-UHFFFAOYSA-N 301.390 1.999 30 50 DDEA C#CCCC1(CCC(=O)N2CCCN(CCOC)CC2)N=N1 952882124 RTMCNQJLDXLPGY-UHFFFAOYSA-N 306.410 1.523 30 50 DDEA CCC[C@H](C#N)NC(=O)C[C@H](N1CCOCC1)C(F)(F)F 1875367462 DZHHCFBNQMNPOS-MNOVXSKESA-N 307.316 1.448 30 50 DDEA CN(CCC#N)C(=O)CCN1C[C@@H](O)C[C@H]1c1ccc(F)cc1 343573029 VCAPFTFFCATQJG-HOTGVXAUSA-N 319.380 1.696 30 50 DDEA Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CN 261597843 PFWKXLGHZLKOSK-BXUZGUMPSA-N 307.419 1.615 30 50 DDEA COC[C@@]1(C(N)=O)CCCN1Cc1cn2ccccc2c1C#N 591646930 IFHPZCSNTUWPHI-QGZVFWFLSA-N 312.373 1.277 30 50 DDEA COC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 113294492 FUWPUCLUMOSZQL-LLVKDONJSA-N 312.366 1.744 30 50 DDEA CON(C)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F 170007636 VYTOBDXKYGRPJB-UHFFFAOYSA-N 309.146 1.758 30 50 DDEA CC(C)(C)N1C[C@H](/C(O)=N/C[C@H]2CC(=O)N(C3CC3)C2)CC1=O 329509792 MKBSKMUWCLVQEN-VXGBXAGGSA-N 321.421 1.601 30 50 DDEA Cc1noc([C@H]2CN(c3nnc(C)c(C)c3C#N)CCN2C)n1 284666091 WEXDVXPKEZTFFC-CYBMUJFWSA-N 313.365 1.150 30 50 DDEA C[C@@H](c1cccnc1)N(C)C(=O)NC1CCN(CC#N)CC1 609337970 LWHKVMXXLTXWCW-ZDUSSCGKSA-N 301.394 1.772 30 50 DDEA N#CC1(NC(=O)c2cccc([C@@H]3CCOC3)c2)CCOCC1 270711342 XBWUSSTVRVBCIM-OAHLLOKOSA-N 300.358 1.993 30 50 DDEA C=CCCS(=O)(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 222144831 MPAIMFFVVXWRSZ-JSGCOSHPSA-N 312.435 1.368 30 50 DDEA N#Cc1ccc(NCCS(=O)(=O)NCC2CCC2)c(F)c1 170604205 DTBNQSFMHVWZIE-UHFFFAOYSA-N 311.382 1.829 30 50 DDEA N#Cc1cccc(NC(=O)N2CCO[C@@H](Cn3ccnn3)C2)c1 601258136 YIPMXIPCWPQBJT-CQSZACIVSA-N 312.333 1.083 30 50 DDEA N#CC1(CS(=O)(=O)N2CCO[C@H](c3ccsc3)C2)CC1 166003893 VZSUKIQALFCJSU-LBPRGKRZSA-N 312.416 1.755 30 50 DDEA Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1CN 227926358 WKDBHAPRKPEZFG-UONOGXRCSA-N 307.419 1.663 30 50 DDEA N#Cc1cc(F)ccc1N1CCN([C@H]2CCS(=O)(=O)C2)CC1 253432858 OWIQMOSGHZZEHS-AWEZNQCLSA-N 323.393 1.006 30 50 DDEA C[C@H](Cc1cccc(F)c1)C(=O)N1CCN(C(=O)CC#N)CC1 330595120 UBCDXCJRIDZTMS-CYBMUJFWSA-N 317.364 1.589 30 50 DDEA COCC[C@@]1(C(=O)O)CCCN(C(=O)c2ccccc2C#N)C1 91690326 XKLJQTQZLJJTBL-KRWDZBQOSA-N 316.357 1.902 30 50 DDEA 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317.736 1.543 30 50 DDEA C#CCCC1(CCNC(=O)c2cnc3c(c2)NC(=O)CO3)N=N1 2325886886 MWZWRYOOQLDNEF-UHFFFAOYSA-N 313.317 1.108 30 50 DDEA CS(=O)(=O)OC[C@H]1CCCCC[C@H]1COS(C)(=O)=O 101138845 YWBZQCNNUXTYAK-PHIMTYICSA-N 314.425 1.135 30 50 DDEA C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](CN2CCCCC2)C1 229838858 RXCBKCLHBHJKCV-HOTGVXAUSA-N 306.454 1.555 30 50 DDEA O/C(=N/C[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1C[C@]12CCOC2 329122850 RKFRPPINFCCKPX-GVXVVHGQSA-N 322.327 1.633 30 50 DDEA CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1c1cnn(C)c1 245846023 JJJJSEPVYZWIJK-HOCLYGCPSA-N 303.410 1.611 30 50 DDEA CC[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N(C)C 268731392 LSVTYTOLDXEWBQ-IRXDYDNUSA-N 314.433 1.563 30 50 DDEA N#C[C@H]1CN(C(=O)c2ccc(-n3cccn3)nc2)CCC1(F)F 1875296842 RKGZIKVWIASURP-LBPRGKRZSA-N 317.299 1.888 30 50 DDEA Cc1nnc([C@H]2COCCN2c2ncc(C#N)cc2Cl)o1 333007303 AJVJSBUKGVMBNQ-LLVKDONJSA-N 305.725 1.876 30 50 DDEA C#CC[C@H](O)CNC(=O)c1cc(OC)ccc1Br 408518067 SQYYMSXAYXAZAO-VIFPVBQESA-N 312.163 1.572 30 50 DDEA 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C[C@@]1(NC(=S)Nc2ccc(O)cc2)CC[S@@+](=O)(O)C1 334159544 WVVDWTYTJJRAMR-GFCCVEGCSA-O 301.413 1.814 30 50 DDEA CCS(=O)(=O)N1CC[C@H](CB2OC(C)(C)C(C)(C)O2)C1 1875370607 VPORILBDVCXHCN-LLVKDONJSA-N 303.233 1.750 30 50 DDEA CC#CC(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C1CCN(C)CC1 1875363124 RGYGDDASOMQOCY-IAGOWNOFSA-N 305.466 1.805 30 50 DDEA C/N=C(/O)NCC(=O)N(C)C[C@@H]1CCCc2sc(C)nc21 328626537 LVCQYBRYSDJFBX-JTQLQIEISA-N 310.423 1.463 30 50 DDEA C#CCCC1(CCC(=O)N2CCNC[C@@H]2c2cnn(C)c2)N=N1 2325901029 QTKWDNMKMJKSMR-CQSZACIVSA-N 314.393 1.249 30 50 DDEA O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc2c(c1)OCO2 105211089 QGOQLNLJMZZGDZ-ORUIJXKZSA-N 324.336 1.946 30 50 DDEA COc1ccccc1N1CC[C@@H](NC(=O)c2ccc(C#N)nc2)C1 156984850 PCXRJCMZWJSJHT-OAHLLOKOSA-N 322.368 1.971 30 50 DDEA C[C@H](C(=O)N(C)CCC#N)N1CCO[C@@H](c2ccc(F)cc2)C1 240707753 HQJZEJAXMSLIHO-CZUORRHYSA-N 319.380 1.960 30 50 DDEA COCCN(C)c1ccc(/C=C/C(=O)c2ccn(C)n2)cn1 585136211 WGIWMDNELFUXHF-GQCTYLIASA-N 300.362 1.794 30 50 DDEA 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324.358 1.052 30 50 DDEA CC/N=C(/O)N1CCN(C(=O)c2cc(O)nc(CC)c2)CC1 330738127 NJZQLQLISIBJNE-UHFFFAOYSA-N 306.366 1.041 30 50 DDEA O=[S@+]1(O)C[C@H]2NC(=S)N(Cc3ccc(F)cc3)[C@H]2C1 334158499 RQZZBMMJOPXDNG-MNOVXSKESA-P 301.388 1.239 30 50 DDEA Cn1cnc2c(c1=O)CCN(/C(O)=N/CCC1=CCCC1)C2 330048598 IQJOYWJCQHCHJY-UHFFFAOYSA-N 302.378 1.553 30 50 DDEA COC[C@]1(C(N)=O)CCCN1Cc1ccc(C#N)cc1Cl 591647634 SJHIFQXSYQJXNM-HNNXBMFYSA-N 307.781 1.678 30 50 DDEA COC(=O)C1=C(C(C)=O)[C@H](c2ccc(C)cc2)n2nnnc2N1 13132454 NYZJURFHFSYVKA-ZDUSSCGKSA-N 313.317 1.013 30 50 DDEA C#CCOC(=O)CCCC(=O)Nc1cccc(C(=O)OC)c1 2913570 MGBHCIAZSBBAOB-UHFFFAOYSA-N 303.314 1.758 30 50 DDEA C#CCCS(=O)(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C 225391800 BZWRFZDFZTVRGC-INIZCTEOSA-N 308.447 1.794 30 50 DDEA Cc1nsc(NCc2cccc(S(N)(=O)=O)c2)c1C#N 253415232 JXOWRECEQAOTCQ-UHFFFAOYSA-N 308.388 1.583 30 50 DDEA Cc1nc(N[C@@H]2CCCN(c3ccn(C)n3)C2=O)ccc1C#N 330183040 PMCUDHKIHUEGRD-CYBMUJFWSA-N 310.361 1.603 30 50 DDEA Cc1oc(C#N)cc1C(=O)N1CCC(C)(C)S(=O)(=O)CC1 242087974 WARDKVLERDUTQL-UHFFFAOYSA-N 310.375 1.499 30 50 DDEA COCCCN1CC[C@H](CNC(=O)c2ccccc2C#N)C1 299772069 YSVXWZMGCGNUKT-CQSZACIVSA-N 301.390 1.646 30 50 DDEA C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c1ccncc1 585128887 QCEOGWLJLKMQTP-CFVMTHIKSA-N 320.389 1.765 30 50 DDEA C(=N/Nc1nnnn1-c1ccccc1)\c1ccc2c(c1)OCO2 5060370 YBHODPVJVAHUSG-CXUHLZMHSA-N 308.301 1.837 30 50 DDEA COc1ccc(/C=N/C(=S)Nc2nnc(C)c(=O)[nH]2)cc1 2597827 XURDANGVTCEZEC-VGOFMYFVSA-N 303.347 1.298 30 50 DDEA N#Cc1cc(Cl)ccc1CN1CCO[C@@H](Cn2cncn2)C1 331739300 VKAXWVAQKZEWNX-OAHLLOKOSA-N 317.780 1.704 30 50 DDEA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2ccc(F)c(C#N)c2)C1 591644190 BWENANZKWRCJOP-KRWDZBQOSA-N 319.380 1.503 30 50 DDEA Cc1ccc(C#N)c(N2CCc3nc(C)n(C)c(=O)c3CC2)n1 65525873 QQDMGGBCJCDLIG-UHFFFAOYSA-N 309.373 1.269 30 50 DDEA C=CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)C1=O 253426703 VMQBAPGTICKXHN-LLVKDONJSA-N 310.741 1.866 30 50 DDEA COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)OC 217047916 RLDRAXBPIRSRSV-UHFFFAOYSA-N 320.150 1.559 30 50 DDEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](O)C2 820505837 UGKPOSGLYXBTGY-ZDUSSCGKSA-N 303.406 1.935 30 50 DDEA C#CCCC1(CCC(=O)N2CCC(CNC(C)=O)CC2)N=N1 952881568 OBPKQBSBWPIKKW-UHFFFAOYSA-N 304.394 1.717 30 50 DDEA CC#CC(=O)NC[C@@H]1CCCC2(CN(C(=O)OC(C)(C)C)C2)O1 1875379923 ZPLHAFYRIDZNAH-ZDUSSCGKSA-N 322.405 1.685 30 50 DDEA CN1C(=O)CC[C@H](CNc2cccnc2C#N)[C@H]1c1cnn(C)c1 886088756 UIKKHAZAISAYOY-PXAZEXFGSA-N 324.388 1.708 30 50 DDEA Cn1cncc1[C@@H]1C[C@@H](NC(=O)c2cccc(C#N)c2)CCO1 276484936 ZVFRQUCLDDAHQU-HOCLYGCPSA-N 310.357 1.942 30 50 DDEA C#CCn1cc(CNS(=O)(=O)c2ccc(OC)cc2C)cn1 585115211 RHOGWJFIZHCXLI-UHFFFAOYSA-N 319.386 1.312 30 50 DDEA COCCOCC/N=C(/O)c1nc(F)ccc1Br 328592765 XJQXIGQHMICPGR-UHFFFAOYSA-N 321.146 1.951 30 50 DDEA N#CCc1cccc2c1CCN(C(=O)NCC1[C@H]3COC[C@H]13)C2 1616043302 XTYCHASDXPVWLI-IAGOWNOFSA-N 311.385 1.713 30 50 DDEA CC(C)[C@H](NC(=O)c1cccs1)C(=O)/N=C1/NCCS1 187643 ORKRLNXOKHXBOE-JTQLQIEISA-N 311.432 1.722 30 50 DDEA C=CCN1CCN(C(=O)Nc2ccsc2C(=O)OC)CC1 13737285 IZDLLZRZHFGCNB-UHFFFAOYSA-N 309.391 1.870 30 50 DDEA C#CC[C@H](CO)NC(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 864095533 PQNOUBSEMWVQOH-BXUZGUMPSA-N 318.373 1.202 30 50 DDEA N#CC1(Cn2cc(CNC(=O)c3ccc(Cl)nc3)nn2)CC1 881309727 DTYJPYGMESPOHY-UHFFFAOYSA-N 316.752 1.560 30 50 DDEA COc1cc(C#N)ccc1S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)O 585742747 ARESQLZZONUOFG-ONGXEEELSA-N 324.358 1.193 30 50 DDEA CN(Cc1cc(C#N)ccc1Br)S(C)(=O)=O 191684453 GKRMCCVRTKXBOM-UHFFFAOYSA-N 303.181 1.712 30 50 DDEA C=C(C)Cn1c(SC/C=C/C)nc2c1c(=O)n(C)c(=O)n2C 2578367 BIFKETJAOWNJNL-VOTSOKGWSA-N 320.418 1.678 30 50 DDEA N#CC1(C(=O)N[C@@H](c2ccccc2)[C@H]2C[C@@H](O)C2)CCOCC1 219602691 NYEBQFAAOXPGOW-JYJNAYRXSA-N 314.385 1.935 30 50 DDEA COc1cc(C2C(C#N)(C#N)C2(C#N)C#N)cc(OC)c1OC 3161895 PCDUYXLGIPIJQH-UHFFFAOYSA-N 308.297 1.877 30 50 DDEA C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)NCC1(CC#N)CC1 376409891 AUQFZAOGQOTIMM-KBPBESRZSA-N 306.410 1.185 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)N=N1 952882928 ZHGBCVAKYIHZRU-OLZOCXBDSA-N 302.378 1.612 30 50 DDEA CCC(=O)NCc1c[nH]nc1[C@@H]1CCN(c2ncccc2C#N)C1 952889880 NWWFYOXOOOYSPQ-CYBMUJFWSA-N 324.388 1.696 30 50 DDEA CC1(C)OB(c2ccc(C(=O)N3CCCC3)nc2)OC1(C)C 204568383 FIRCWOYKZAJKES-UHFFFAOYSA-N 302.183 1.617 30 50 DDEA C=C(C)Cc1cccc(C(=O)OC)c1OCc1nnn(C)n1 408525371 ZAACVEIBGJLBOH-UHFFFAOYSA-N 302.334 1.694 30 50 DDEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)OC)c1 169745861 IGSNWXAGFXHYOG-UHFFFAOYSA-N 320.150 1.559 30 50 DDEA in-vitro CNC[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C)C1 227922949 PSSYHAGECACOJM-CQSZACIVSA-N 307.419 1.487 30 50 DDEA N#C[C@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)CCN1C1CC1 371057955 ZWUFZCIBJIJVPO-INIZCTEOSA-N 322.372 1.080 30 50 DDEA N#Cc1c(NC(=O)CCn2cnnn2)sc2c1CCCC2 4727699 UWPNRRVOTWXYOT-UHFFFAOYSA-N 302.363 1.514 30 50 DDEA Cc1c(C(=O)O/N=C(\N)c2cccnc2)cccc1[N+](=O)[O-] 4723539 RQQANDVZADSTSE-UHFFFAOYSA-N 300.274 1.776 30 50 DDEA N#Cc1cnn2c3c(cnc12)C(=O)N1CCc2ccccc2[C@@H]1C3 1396872 AZAPTLTZCLSCIW-HNNXBMFYSA-N 315.336 1.897 30 50 DDEA Cc1nc2c(s1)CCC[C@@H]2C/N=C(/O)N[C@@H]1CCN(C)C1=O 328616665 BZIBFZJMEAQWBQ-GHMZBOCLSA-N 322.434 1.606 30 50 DDEA Cc1cc(C)c(C#N)c(N2CCC[C@](O)(Cn3ccnn3)C2)n1 284711324 KQZJLSVJVGBPIR-MRXNPFEDSA-N 312.377 1.193 30 50 DDEA C=CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1CCCO1)CC2 91624734 IJDVLHBQPSMWAE-CQSZACIVSA-N 306.406 1.583 30 50 DDEA N#Cc1ccc(CNC(=O)NO[C@@H](CO)C2CCCC2)c(F)c1 1875279082 WJMOCKWVQYZIKH-HNNXBMFYSA-N 321.352 1.979 30 50 DDEA C#CCCCS(=O)(=O)NC(=O)C[C@H](C)n1nc(C)cc1C 1775985058 LDVSCTXIOXVKIN-ZDUSSCGKSA-N 311.407 1.310 30 50 DDEA C=CCCS(=O)(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 222144776 MPAIMFFVVXWRSZ-GXTWGEPZSA-N 312.435 1.368 30 50 DDEA CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccc2cc(C#N)ccc2n1 596435855 OSMRUZROSSONOD-KBPBESRZSA-N 317.370 1.330 30 50 DDEA N#Cc1cc(Br)cnc1N1C[C@@H](F)C[C@H]1CO 450520873 VXTJYLMSBLGUBK-UWVGGRQHSA-N 300.131 1.625 30 50 DDEA COC[C@H](/N=C(/O)N1CCO[C@H](CO)C1)c1ccc(F)cc1 331166490 GXZKYLVSCCDFPQ-KBPBESRZSA-N 312.341 1.120 30 50 DDEA N#C[C@H](C(=O)NCc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 842342540 CYJWKUBMNWNODA-GRYCIOLGSA-N 321.720 1.330 30 50 DDEA C#CCCC1(CCC(=O)NCc2nc(C)c(C(N)=O)s2)N=N1 2325894883 WDRWRAPQYFOADY-UHFFFAOYSA-N 319.390 1.522 30 50 DDEA CN1C[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(C#N)s2)C1=O 422208929 ALNSEKXRIAAEAO-CHWSQXEVSA-N 318.402 1.382 30 50 DDEA CCn1cnnc1[C@@H]1CN([C@H](C)/C(O)=N/C2CCCC2)CCO1 328641233 QMWDLXVJJORXMK-OCCSQVGLSA-N 321.425 1.959 30 50 DDEA N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 408505910 YXYYWAJLFSOCNL-TUAOUCFPSA-N 305.359 1.194 30 50 DDEA N#Cc1ccc(C(=O)N[C@@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)cn1 223370787 YNGMESUZXWJTIX-UAGQMJEPSA-N 322.368 1.460 30 50 DDEA C=C[C@H](CO)NC(=O)c1cc(Br)cnc1C1CC1 826588463 YYMSQKOIFCMFLV-SNVBAGLBSA-N 311.179 1.998 30 50 DDEA CC1=CCCN(/C(O)=N/[C@H]2CCCN(c3ccnn3C)C2)C1 328588483 QBSNXTJTHLRPIR-AWEZNQCLSA-N 303.410 1.955 30 50 DDEA C#CC[C@H]1CCCN(c2nnnn2CC2(OC)CCOCC2)C1 952881009 XUZBUNUPIIMUBL-AWEZNQCLSA-N 319.409 1.108 30 50 DDEA N#CCn1ccc(C(=O)NCc2cccc(C(=O)NC3CC3)c2)n1 1875280432 IOVCPSOVYOMUTG-UHFFFAOYSA-N 323.356 1.229 30 50 DDEA N#Cc1cccc(C#N)c1N1CCCN(c2cccnn2)CC1 242284640 YIJWKAQWEZHYDP-UHFFFAOYSA-N 304.357 1.937 30 50 DDEA C=CC(=O)N(C)CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 859842249 GYWKPCSIVRKXDJ-UHFFFAOYSA-N 324.302 1.818 30 50 DDEA CC1=C(C(=O)OCCC#N)[C@H](c2ccccc2F)NC(=O)N1 4854802 XMDLYCNSPIBIIM-ZDUSSCGKSA-N 303.293 1.910 30 50 DDEA CN(C[C@@H]1CCn2ccnc2C1)/C(O)=N/C[C@@H]1CCCCO1 328646045 ZYRPOIIGEPGAOR-KGLIPLIRSA-N 306.410 1.860 30 50 DDEA CCC1(CC)CN(C(=O)c2cc(C#N)oc2C)CCS1(=O)=O 408406203 MAJLWDXEHRZZJA-UHFFFAOYSA-N 324.402 1.889 30 50 DDEA N#Cc1cc(/C(O)=N/C[C@@H]2C[C@H](F)CN2c2cccnn2)c[nH]1 328650220 VKJRKTVGISCYPH-AAEUAGOBSA-N 314.324 1.598 30 50 DDEA O=C(CCn1c(=O)sc2ccccc21)ON1C(=O)CCC1=O 334160767 LYYZBQDBWJOJAL-UHFFFAOYSA-N 320.326 1.060 30 50 DDEA CCN(CCC#N)C(=O)CN1CCC[C@@H]1[C@H]1CCCC[C@H]1O 337246358 COZGAOZXCZTRNF-BZUAXINKSA-N 307.438 1.764 30 50 DDEA N#C[C@H]1CN(c2ncncc2Br)CCN1C1CC1 366293859 AEXJRHCNTGNIJI-JTQLQIEISA-N 308.183 1.416 30 50 DDEA Cc1cc(C#N)cc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)n1 367326958 NPZKOOPMJWUHON-OAHLLOKOSA-N 313.405 1.180 30 50 DDEA CC(C)(O)C#Cc1ccc(C(=O)N2CCn3cncc3C2)cc1 72157772 GWNRAGQUQSUYTP-UHFFFAOYSA-N 309.369 1.662 30 50 DDEA N#C[C@@H]1N(Cc2ncnn2CCF)CCC[C@@]12CCCCO2 240333218 FCIQDYRSNRIQDJ-ZFWWWQNUSA-N 307.373 1.675 30 50 DDEA N#Cc1c[nH]c(C(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 175633103 VYBFVTUILUGMOA-CYBMUJFWSA-N 302.378 1.071 30 50 DDEA CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cc2ccccc2o1 170597917 NROAIRDFSRUXIL-CQSZACIVSA-N 306.343 1.736 30 50 DDEA CO[C@@]1(CO)CCCN(C(=O)NCc2ccc(C#N)cc2)C1 596125511 AJYDNIVLNYRRCX-INIZCTEOSA-N 303.362 1.241 30 50 DDEA C=C(C)Cn1c(SCCCC)nc2c1c(=O)[nH]c(=O)n2C 12647915 WVTYRFKYLHYCHO-UHFFFAOYSA-N 308.407 1.892 30 50 DDEA Cc1ccc2c(c1)/C(=N/NS(=O)(=O)c1ccccc1)C(=O)N2 6411526 PSRMLQAKPGHBFS-UHFFFAOYSA-N 315.354 1.630 30 50 DDEA 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NC(N)=N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 4672839 UZVYOKPDOYMPGP-LICLKQGHSA-N 318.358 1.062 30 50 DDEA CN(CCC#N)S(=O)(=O)NC[C@H]1CCC[C@H](C2CC2)O1 2325782686 VWFGLIRAPJOGBL-CHWSQXEVSA-N 301.412 1.014 30 50 DDEA C#CCCC1(CCC(=O)Nc2cnc3n2CCOCC3)N=N1 2325892968 XLVVIRIKWPKANM-UHFFFAOYSA-N 301.350 1.750 30 50 DDEA CC(C)c1n[nH]c([C@H]2CN(C[C@@H](C#N)CCC#N)CCO2)n1 229916716 QNJXXWXPIYAACV-CHWSQXEVSA-N 302.382 1.745 30 50 DDEA N#Cc1ccccc1N1CCC[C@H](Nc2nccn3cnnc23)C1 363551473 PAERJQJNBQDBPS-AWEZNQCLSA-N 319.372 2.077 30 50 DDEA N#Cc1c[nH]c(C(=O)NCC2CCN(C(=O)C3CC3)CC2)c1 299802168 YEHAUHPRPLBQIG-UHFFFAOYSA-N 300.362 1.265 30 50 DDEA CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)[C@H]2CO2)CC1 1875373379 ZMSNEIBNMXMJTN-UONOGXRCSA-N 310.394 1.635 30 50 DDEA C=CCn1cc(C(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)nn1 952886512 BBJKWAKXCRMICU-CYBMUJFWSA-N 316.365 1.018 30 50 DDEA N#CCN1CCC(NC(=O)NCc2cccc3[nH]ccc23)CC1 601572947 WXMLDXIGMHQXFK-UHFFFAOYSA-N 311.389 1.955 30 50 DDEA Cc1cc(=NCC2(S(=O)(=O)NC(C)(C)C)CC2)c(C#N)c[nH]1 882882046 QSQVAFKDEYEUQG-UHFFFAOYSA-N 322.434 1.346 30 50 DDEA NC(=O)C1=NO[C@H](C/N=C(/O)[C@@H]2CCCN2c2ccccc2)C1 328587155 ZFWQDZFVACYGLF-JSGCOSHPSA-N 316.361 1.242 30 50 DDEA N#Cc1ccc(NC(=O)NC[C@@]2(O)CCCNC2)c2ccccc12 97259357 RPZLJEMOGWHCNV-GOSISDBHSA-N 324.384 1.947 30 50 DDEA C[C@]1(NC(=S)Nc2cccc(O)c2)CC[S@@+](=O)(O)C1 334159493 HAYZHJFERJVNMA-LBPRGKRZSA-O 301.413 1.814 30 50 DDEA C=CCn1c(SCC(=O)N(C)CC2CCCCC2)n[nH]c1=O 163543798 XQYYPIBYOCYTTL-UHFFFAOYSA-N 324.450 1.888 30 50 DDEA CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)o2)OC1(C)C 169904315 FOQCCZCSUIHXCG-UHFFFAOYSA-N 320.003 1.878 30 50 DDEA Cc1c(C#N)c(N2CCN(c3nc[nH]n3)CC2)nc2ccccc12 1857677673 MALZALWJFFLPJN-UHFFFAOYSA-N 319.372 1.860 30 50 DDEA C#CCN1C(=O)[C@@](O)(CC(=O)c2ccccc2O)c2ccccc21 315169 POINCUQKTYOZCC-LJQANCHMSA-N 321.332 1.833 30 50 DDEA C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C)oc2C)C1=O 281544491 NNUCSBSNJLGOEU-LBPRGKRZSA-N 312.391 1.304 30 50 DDEA CN(C)C(=O)N1CCC(C(=O)N2CCC[C@@](C)(C#N)C2)CC1 612366970 JMLLJCGXGXXCJS-INIZCTEOSA-N 306.410 1.532 30 50 DDEA C#CC[C@H](CC(F)(F)F)NC(=O)[C@@H]1CCC(=O)N1C(C)C 1875269765 GGWOIMWWTMXHRQ-MNOVXSKESA-N 304.312 1.846 30 50 DDEA COc1ncc(NC(=O)CC2CCN(OC)CC2)cc1C#N 1775194557 QBUMVTFIUSMMDB-UHFFFAOYSA-N 304.350 1.564 30 50 DDEA N#CCOc1ccccc1C(=O)NS(=O)(=O)CC(F)(F)F 170646028 OOGSQPNFYGHOTO-UHFFFAOYSA-N 322.264 1.211 30 50 DDEA CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cncn2C)C1 585125668 ATWOYDPREWPPHY-OAHLLOKOSA-N 309.373 1.643 30 50 DDEA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2cccc(C#N)c2)n1 331908376 MQSNUACJVJWVSH-YGRLFVJLSA-N 312.329 1.852 30 50 DDEA C#CCCC1(CCC(=O)NS(=O)(=O)Cc2ncoc2C)N=N1 2325900652 DFTIKVPVYQRJNB-UHFFFAOYSA-N 324.362 1.285 30 50 DDEA N#Cc1cc(N2CCCS(=O)(=O)CC2)nc2ccccc12 227353018 MMNVPJWVRNTZJC-UHFFFAOYSA-N 301.371 1.731 30 50 DDEA C[C@H](Cn1cncn1)NC1CCN(c2ncccc2C#N)CC1 67921084 FCJRTDSDXISGMH-CYBMUJFWSA-N 311.393 1.192 30 50 DDEA C=CCOC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2583973 UAHHMBPTDNIRIB-SECBINFHSA-N 302.327 1.267 30 50 DDEA biogenic N#Cc1ccccc1N1CCC[C@@H](Nc2nccn3cnnc23)C1 363551474 PAERJQJNBQDBPS-CQSZACIVSA-N 319.372 2.077 30 50 DDEA N#Cc1ccc(C(=O)NS(=O)(=O)CCOc2ccccc2)[nH]1 154454177 OKCJPYDCXLXNDA-UHFFFAOYSA-N 319.342 1.025 30 50 DDEA CC(C)(C)OC(=O)N1CC[C@H](COS(C)(=O)=O)[C@H](F)C1 71624245 DVADQFSVWWQVQN-NXEZZACHSA-N 311.375 1.558 30 50 DDEA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2nccc(C)c2C#N)C1 284518074 LPAJSQYAFALEFH-ZFWWWQNUSA-N 314.389 1.478 30 50 DDEA COC(=O)CN(CC#N)C(=O)c1ccc(F)c(Cl)c1F 182801237 ZEOSAMZVGZBILM-UHFFFAOYSA-N 302.664 1.757 30 50 DDEA C=CCN1C[C@H](C(=O)N(C)CCN2CCCCCC2)CC1=O 952961096 JQICOGMAGSMTJE-OAHLLOKOSA-N 307.438 1.355 30 50 DDEA C[C@@H]1OCCC[C@@H]1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 190273385 IMFCYNWQYOENHV-LRDDRELGSA-N 300.358 1.963 30 50 DDEA N#Cc1cc2cccnc2nc1N1CCC[C@@H]1[C@H]1COCC[C@H]1O 596227501 ZSZYUNQPOBGIND-BZUAXINKSA-N 324.384 1.868 30 50 DDEA N#Cc1nc(COc2ccc(F)cc2)oc1N1CCNCC1 1857800207 DDBMTCPBGMXATF-UHFFFAOYSA-N 302.309 1.674 30 50 DDEA Cn1cc(CN[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1C#N 372775946 KFXDESUIHHUEPF-CQSZACIVSA-N 323.400 1.364 30 50 DDEA Cc1noc([C@H]2CN(Cc3cc(C#N)n(C)c3)CCN2C)n1 285472955 LCEQYAQNBFLFSY-CQSZACIVSA-N 300.366 1.077 30 50 DDEA CCOC(=O)[C@@H](C)[C@](C#N)(C(=O)OCC)[C@@H](C)C(=O)OCC 249691951 MAWRNFNRKPOONT-HBYGRHMLSA-N 313.350 1.458 30 50 DDEA CC1(C)OC[C@H]([C@@]23O[C@@]2([C@H]2COC(C)(C)O2)OC3(C)C)O1 254735670 QBDQRFQCNGWZQS-ZMRCNFHJSA-N 300.351 1.564 30 50 DDEA C#CCCC1(CCC(=O)N(C)CCN2C[C@H](C)O[C@H](C)C2)N=N1 952880573 GSJPZJMYLOEIJH-GASCZTMLSA-N 320.437 1.910 30 50 DDEA O=C(CC1=C(c2ccccc2)CCC1=O)N[C@H]1CCNC[C@@H]1O 1565513115 QWZDTMUWNOTETK-RDJZCZTQSA-N 314.385 1.032 30 50 DDEA COC(=O)CN1CCC[C@H](C/N=C(/O)c2c[nH]c(C#N)c2)C1 328592122 FLTPZEWLFGSEQP-LLVKDONJSA-N 304.350 1.076 30 50 DDEA CNC(=O)c1cc(O[C@H]2CCN(c3ccc(C#N)cn3)C2)ccn1 373062532 FHYNROCADBSXEO-AWEZNQCLSA-N 323.356 1.366 30 50 DDEA C#Cc1cccc(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)c1 2325776115 OJINEZNKTRYPMS-KRWDZBQOSA-N 311.429 1.566 30 50 DDEA C#CCCC1(CCC(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)N=N1 2325886320 KMTKGTLYFMJIRE-NSHDSACASA-N 316.365 1.628 30 50 DDEA COc1cccc(CN2CCN(c3ccc(C#N)cn3)CC2)c1O 65404770 HCFRNCJMNLQDIU-UHFFFAOYSA-N 324.384 1.990 30 50 DDEA COC1(C/N=C(/O)N2CCN(C)[C@H](c3nccn3C)C2)CCC1 328628354 NQUIIQGXRGCUOH-ZDUSSCGKSA-N 321.425 1.192 30 50 DDEA CCc1nnc(CN2CCN(c3snc(C)c3C#N)CC2)o1 329820405 GTYWAWMTTBZBCI-UHFFFAOYSA-N 318.406 1.591 30 50 DDEA N#Cc1c(NC(=O)CN2CCOCC2)sc2c1CCCC2 19287961 CWJNUEJVFIPZQN-UHFFFAOYSA-N 305.403 1.769 30 50 DDEA biogenic CC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccccc1 585121570 SKHUXBMFAQZEBM-CYBMUJFWSA-N 312.329 1.088 30 50 DDEA CC[C@](C)(C#N)C(=O)Nc1cc(C(=O)NC)cc(C(=O)NC)c1 2325872515 BARCCXKLRSMQLI-MRXNPFEDSA-N 316.361 1.284 30 50 DDEA COCCN(CCC#N)C(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1 931897384 QOTWMAGVTBRQGR-MNOVXSKESA-N 308.300 1.875 30 50 DDEA CC[C@H](CSC)/N=C(/O)N1CCc2c(ncn(C)c2=O)C1 328630641 QBNUNCLGVIKKTB-SNVBAGLBSA-N 310.423 1.194 30 50 DDEA Cc1cc(C#N)nc(N[C@H]2CCCN(c3cccnc3)C2=O)n1 376421700 QORDBEGDIKZVBB-AWEZNQCLSA-N 308.345 1.659 30 50 DDEA CCC[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1NS(C)(=O)=O 91289099 DTHDWAFCAOBFIH-HOTGVXAUSA-N 321.446 1.708 30 50 DDEA N#Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 245311358 OAMIMFSANFVIFG-CGVNBMHUSA-N 317.348 1.945 30 50 DDEA CN(C(=O)[C@H]1CCN(c2cncc(C#N)n2)C1)c1ccccc1 575603616 KYQXIOHTBVXYMQ-ZDUSSCGKSA-N 307.357 1.838 30 50 DDEA C=C1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 264464867 HPOKFQXAOJKULW-UHFFFAOYSA-N 315.416 1.431 30 50 DDEA C=C(CNC(=O)N[C@@H](CO)CC1OCCO1)c1ccccc1 1615054893 CAIZCQZSVJXIDD-CQSZACIVSA-N 306.362 1.123 30 50 DDEA C#CCN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O 12342664 VXOBUURJVCGZEA-YRNVUSSQSA-N 304.283 1.970 30 50 DDEA Cn1cnnc1[C@@H]1CN(Cc2ccc(F)cc2C#N)CCO1 328627874 GRLAIDLMUPTQIF-AWEZNQCLSA-N 301.325 1.399 30 50 DDEA CC(C)(CC#N)CS(=O)(=O)N1CC2(CCC2)[C@@H]2COC[C@@H]21 575603651 NHOLXJVAHGGMDB-OLZOCXBDSA-N 312.435 1.757 30 50 DDEA CCOC(=O)[C@@H](C#N)C(=O)c1ccc(N2C(=O)CCC2=O)cc1 440166 YCLDSVBXGFIRAO-LBPRGKRZSA-N 314.297 1.226 30 50 DDEA Cn1cnnc1CCn1ccnc1-c1ccc(C#CCO)s1 82099876 JUEHWHTXYZXDFG-UHFFFAOYSA-N 313.386 1.327 30 50 DDEA N#Cc1nccnc1N1CCC2(CC1)C[C@H]2C(=O)N1CCCC1 241816013 SEWOYAXFUPGYJJ-ZDUSSCGKSA-N 311.389 1.577 30 50 DDEA C=CCn1nnnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 952880652 WRUXNGDKVVBHQN-GFCCVEGCSA-N 322.413 1.600 30 50 DDEA CO[C@@H]1C[C@H](CN=c2cc(C)[nH]cc2C#N)N(c2ccncn2)C1 952887338 ODXLOPQLUNSQDG-HUUCEWRRSA-N 324.388 1.179 30 50 DDEA CCN1C[C@@H](COS(C)(=O)=O)Oc2ccc(Cl)cc21 575444792 PUKVXCSYPAKVIF-JTQLQIEISA-N 305.783 1.904 30 50 DDEA CN(C)c1ccc([C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)nn1 591604693 MWAVZXLBLNMAKN-CQSZACIVSA-N 310.361 1.720 30 50 DDEA C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CS(=O)(=O)C12CCCCC2 2325778743 MXKJGEFVKNOODV-MNOVXSKESA-N 320.842 1.072 30 50 DDEA C#CCCC1(CCNC(=O)c2nc(C(=O)O)sc2C)N=N1 2325900688 FXIVUOXUWISCAK-UHFFFAOYSA-N 306.347 1.845 30 50 DDEA O=S1(=O)CC[C@@H](NC(=S)N/N=C/C=C/c2ccccc2)C1 23550077 RYOXHMALSQCJFF-KGHWRFTLSA-N 323.443 1.337 30 50 DDEA N#Cc1c(-c2cnc(N)nc2)cc(-c2cccc(O)c2)nc1N 67770456 HIVMFNUPQKRTQI-UHFFFAOYSA-N 304.313 1.947 30 50 DDEA Cc1nc(C#N)c(C#N)n1CC(=O)c1ccc2c(c1)NC(=O)CO2 155252895 RJUQTHJRAAWCHQ-UHFFFAOYSA-N 321.296 1.149 30 50 DDEA C=CCN(C(=O)CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 516252562 VRZSDMDQHPVSTD-CQSZACIVSA-N 308.403 1.216 30 50 DDEA C#CCCC1(CCC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)N=N1 952880413 FAVXFGYFSKDZCS-ZIAGYGMSSA-N 306.410 1.568 30 50 DDEA C[C@@H]1[C@@H](c2ccccc2)C(C#N)(C#N)[C@@]2(C#N)C[C@@]1(O)NC2=O 169414173 ZGJJMIGIWNLDBB-GKKDWNQVSA-N 306.325 1.172 30 50 DDEA CN(C)c1cc(N/N=C/c2ccccc2O)nc(N(C)C)n1 4750976 ZDAGPCOLOOOVQI-MHWRWJLKSA-N 300.366 1.760 30 50 DDEA O=C(O)[C@]12COCC[C@H]1CN(Cc1cc(C#CCO)cs1)C2 1857669104 ZJEHIQMEOXSBNM-XJKSGUPXSA-N 321.398 1.015 30 50 DDEA C#CCCC1(CCNC(=O)c2ccc3ncc(=O)[nH]c3c2)N=N1 2325887481 VWBJQPDHSJRMIR-UHFFFAOYSA-N 309.329 1.619 30 50 DDEA C#CCCC1(CCC(=O)N2CCN(C[C@H]3CCCO3)CC2)N=N1 2325891901 APGLAIAKTGLDLZ-OAHLLOKOSA-N 318.421 1.665 30 50 DDEA N=C(N/N=C/c1ccc(Br)cc1)c1nonc1N 4951125 YERSBSLVJOEZBQ-LHHJGKSTSA-N 309.127 1.363 30 50 DDEA C#CC[C@@H]1NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O 225429215 AIKKALOVOOKDDA-ZDUSSCGKSA-N 305.378 1.159 30 50 DDEA C=C(C)[C@H]1OCC[C@H]1C(=O)NCC(=O)OCc1ccccc1 225605929 CZIVKPZVRZQSDF-GDBMZVCRSA-N 303.358 1.827 30 50 DDEA N#Cc1cc2c(=O)n(CCN3CCCCCC3)ccc2nc1O 67559197 ZYYQUUPAUOSIDL-UHFFFAOYSA-N 312.373 1.850 30 50 DDEA N#CC1(C[C@H](O)CN2CC(CC(F)(F)F)C2)CCOCC1 601956001 FUXYJNXIWBXFSP-LBPRGKRZSA-N 306.328 1.942 30 50 DDEA C=CCNC(=O)CSc1nnc([C@@H](C)n2ccc(C)n2)o1 2732988 FHKQJRXKXYPTAG-SNVBAGLBSA-N 307.379 1.578 30 50 DDEA N#Cc1cc(F)c(C(=O)N2CCN([C@@H]3CCOC3)CC2)c(F)c1 370806571 UNFUTKTWVMJBMC-GFCCVEGCSA-N 321.327 1.383 30 50 DDEA C[C@H](O)c1cn(C2CN(c3ccc(Cl)c(C#N)n3)C2)nn1 378535274 ACEUDHNCWOUIIU-QMMMGPOBSA-N 304.741 1.313 30 50 DDEA N#Cc1cccc(Cl)c1N1CCC[C@](O)(Cn2ccnn2)C1 284770353 POMPCZDONHEHMI-OAHLLOKOSA-N 317.780 1.835 30 50 DDEA O=C(C#Cc1ccccc1)NCCN1C(=O)c2ccccc2C1=O 176097977 RORPCMNUWGSJQM-UHFFFAOYSA-N 318.332 1.451 30 50 DDEA COc1nccc(N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)c1C#N 222853589 MVICQYYNVVMOLQ-WBIUFABUSA-N 313.361 1.619 30 50 DDEA C#CCCCNS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 178806290 KBHMPJRXVRKUMG-UHFFFAOYSA-N 315.778 1.818 30 50 DDEA CCN1CCC[C@@H]1CN/C=C1/C(=O)Oc2ccccc2C1=O 823110166 BWMDSQKSXPOGND-SLQMCABGSA-N 300.358 1.746 30 50 DDEA C#CCCC1(CCC(=O)NCC2CCN(CCO)CC2)N=N1 952882076 PAECXGOYHRJFNV-UHFFFAOYSA-N 306.410 1.163 30 50 DDEA Cc1ccc(C#N)c(N2CCC([C@@H]3CC[C@H](C(N)=O)O3)CC2)n1 952890766 ZKIRCYHIKRTQTI-LSDHHAIUSA-N 314.389 1.511 30 50 DDEA CCC[C@@H](C#N)NC(=O)C[C@@H](N1CCOCC1)C(F)(F)F 1875367464 DZHHCFBNQMNPOS-WDEREUQCSA-N 307.316 1.448 30 50 DDEA CC#CC(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 1875363096 KETUIRNELMRYQA-UHFFFAOYSA-N 307.415 1.897 30 50 DDEA CN1C[C@@H]2C[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C[C@@H]2CC1=O 1529172400 LFFJYCSRKVZYGW-FRRDWIJNSA-N 300.362 1.215 30 50 DDEA N#Cc1ccc(C(=O)N[C@H](Cc2ccncc2)[C@H]2C[C@@H](O)C2)cn1 219106134 YNGMESUZXWJTIX-DJIMGWMZSA-N 322.368 1.460 30 50 DDEA C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(C#N)c1 247505137 VIQXKXXWVOMLFV-OCCSQVGLSA-N 305.403 1.415 30 50 DDEA O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1ccc(O)cc1)[C@H]1C=C[C@H]2C12CC2 105209426 UYOIMTPNXQSFGD-BUUWJTRTSA-N 308.337 1.923 30 50 DDEA N#Cc1cc2c(=O)n(CCCCc3ccccn3)ccc2[nH]c1=O 67696573 RPWVELPEOSYTKE-UHFFFAOYSA-N 320.352 1.979 30 50 DDEA CC[C@@H]1COCCN1C(O)=Nc1cn(Cc2ccccc2)nn1 330016247 PGMAUDTVIKLIFS-CQSZACIVSA-N 315.377 1.983 30 50 DDEA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1Nc1nc2c(cc1C#N)CCCC2 1565507241 DMMALIIXSCHPJD-ORQFMDKSSA-N 312.417 1.961 30 50 DDEA N/C(=N\OS(=O)(=O)c1ccc(Cl)cc1)c1ccncc1 3905225 TXULWFLXHKYSJP-UHFFFAOYSA-N 311.750 1.761 30 50 DDEA O=C(CO/N=C1\CCCc2nonc21)Nc1ccccc1F 1431924 JHNFXMBNZCWJCS-GZTJUZNOSA-N 304.281 1.904 30 50 DDEA COCCN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 9547092 CSSBVMPKYJGBOC-UHFFFAOYSA-N 315.398 1.969 30 50 DDEA C=CCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 65363256 HFHRSXWIBPDGOH-UHFFFAOYSA-N 302.783 1.652 30 50 DDEA CN1CCN(/C(O)=N/CC2(C3CC3)CC2)C[C@@H]1c1ncc[nH]1 328617047 CIHZEFYHYXCXFR-CYBMUJFWSA-N 303.410 1.802 30 50 DDEA O=[S@+]1(O)C[C@H]2NC(=S)N(Cc3ccc(Cl)cc3)[C@@H]2C1 334158081 NIIXZLNVWFPFEL-GHMZBOCLSA-P 317.843 1.753 30 50 DDEA C=CCc1c(C)nc(N)nc1N1CCC[C@H](c2ncon2)C1 95357473 SUKYTBUVNRVUSU-NSHDSACASA-N 300.366 1.863 30 50 DDEA C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 952961743 RRSAKZCZTKSAOF-XQQFMLRXSA-N 312.410 1.685 30 50 DDEA Cc1cc(C)c(S(=O)(=O)N2CC(C#N)C2)c(C)c1CC(=O)O 871967197 FCKAMKYENNHNTQ-UHFFFAOYSA-N 322.386 1.383 30 50 DDEA N#Cc1ccc(S(=O)(=O)N2CCS[C@@H]2C(F)(F)F)cn1 585129342 GEUVRQRGAPUJGO-SECBINFHSA-N 323.321 1.579 30 50 DDEA C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(C)c(C(=O)O)o1 663425494 AWMSRKNSUPFWFP-UWVGGRQHSA-N 315.347 1.156 30 50 DDEA CC[C@@]12COC(=O)N1CCN(c1nc(C)cc(C)c1C#N)C2 1857681594 APWWVJXOBSFYQW-MRXNPFEDSA-N 300.362 1.991 30 50 DDEA 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C=CC(=O)Nc1ccc(C(=O)Nc2nn(C)c(C)c2C#N)cc1 1437099631 MLSOBMNXBIYERP-UHFFFAOYSA-N 309.329 1.977 30 50 DDEA COc1ccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1 4384499 LGYXVULEJILOST-UHFFFAOYSA-N 311.341 1.984 30 50 DDEA N#C[C@H]1C(=O)NC(=O)[C@@H](C#N)C12CCN(Cc1ccccc1)CC2 1669016 QQUSQTIEZXJTMQ-GASCZTMLSA-N 322.368 1.205 30 50 DDEA N#Cc1ccc(CN2CCC[C@H]2c2nc(C(N)=O)no2)s1 328623283 BVUYSWLOOPXMTH-JTQLQIEISA-N 303.347 1.439 30 50 DDEA CCn1cnnc1[C@@H]1CN([C@@H](C)/C(O)=N/C2CCCC2)CCO1 328641232 QMWDLXVJJORXMK-JSGCOSHPSA-N 321.425 1.959 30 50 DDEA C#Cc1cncc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c1 253417719 IBAQBAITLBPRHJ-OKILXGFUSA-N 315.417 1.681 30 50 DDEA Cc1cc(C#N)ccc1C(=O)NS(=O)(=O)C[C@H]1CCCCO1 129686069 TVXNMQRAESGMIQ-CYBMUJFWSA-N 322.386 1.495 30 50 DDEA C=CC[C@]1(CO)CCCN(C(=O)CCC2=NNC(=O)CC2)C1 91663095 JRGZMOVQLLEOGW-INIZCTEOSA-N 307.394 1.210 30 50 DDEA C[C@@H]1[C@@H](c2ccccc2)C(C#N)(C#N)[C@@]2(C#N)C(=O)N[C@@]1(N)[C@@H]2C 239378389 OQDDBYZZDVFWSE-MTDNKHLASA-N 319.368 1.384 30 50 DDEA N#Cc1cc2n(n1)CCCN(C[C@H]1COc3ccccc3O1)C2 670446573 SPOHRCWDUBXSEK-HNNXBMFYSA-N 310.357 1.800 30 50 DDEA CN(C[C@@H]1CCn2ccnc2C1)/C(O)=N/CC[C@H]1CCCO1 328626709 LZFJXDIUSNCABZ-ZIAGYGMSSA-N 306.410 1.860 30 50 DDEA N#Cc1ncccc1S(=O)(=O)N1CCC[C@@H](OCC2CC2)C1 372992502 KIVPAVLXHJVJJQ-CYBMUJFWSA-N 321.402 1.533 30 50 DDEA CN1CCN(/C(O)=N/C[C@@H]2CCCS2)C[C@H]1c1nccn1C 328634544 UDHPTCJVYVZYMA-STQMWFEESA-N 323.466 1.518 30 50 DDEA O/C(=N/C1CCN(C[C@@H]2CCOC2)CC1)[C@@H]1C[C@]12CCOC2 329678438 VPAHXEKKJVTLEW-QRTARXTBSA-N 308.422 1.870 30 50 DDEA COc1cc(C#N)ccc1CN1CCC[C@H](N2CCNC2=O)C1 367253728 FDVZJGQNCUAIDE-HNNXBMFYSA-N 314.389 1.556 30 50 DDEA C/N=C1/NC(=O)/C(=C/c2ccc(OC)c(OC)c2OC)S1 585135860 GMEQRDPEYMEQOE-YFHOEESVSA-N 308.359 1.902 30 50 DDEA N#CCC1(O)CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 170603628 LYPJQQKFZUIRBE-VMPITWQZSA-N 312.778 1.601 30 50 DDEA N#CCc1cccc2c1CCN(C(=O)NCC1[C@@H]3COC[C@@H]13)C2 1616043304 XTYCHASDXPVWLI-IRXDYDNUSA-N 311.385 1.713 30 50 DDEA C#C[C@@](C)(CC)OC[C@H](O)CN1CCC(C(=O)OCC)CC1 12421464 IVQWHXMMQXBEET-WBVHZDCISA-N 311.422 1.441 30 50 DDEA N#Cc1ccc(C(=O)N[C@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)cn1 223370838 YNGMESUZXWJTIX-HYVNUMGLSA-N 322.368 1.460 30 50 DDEA C=CCOc1cccc(/C=C2/C(=O)NC(=S)N2C(C)=O)c1 4844898 HKEVJUDPSDQWNS-LCYFTJDESA-N 302.355 1.856 30 50 DDEA Cn1cnnc1[C@H]1CN(CCOc2ccccc2C#N)CCO1 328651967 WFJICQZVXSVWJT-OAHLLOKOSA-N 313.361 1.139 30 50 DDEA CC(=O)N(C[C@@H]1CCCN1/C(O)=N/CC[C@@H]1CCCO1)C1CC1 328656361 ZGJGKXHABBYBBN-HOTGVXAUSA-N 323.437 1.945 30 50 DDEA CCn1cc([C@H]2OCC[C@@H]2/N=C(/O)c2cc(OC)no2)cn1 328628924 OEQODWJFDDSOLU-GXFFZTMASA-N 306.322 1.734 30 50 DDEA CCn1cc(CN2CCC(N3CCC(O)CC3)CC2)cc1C#N 72435811 PYEPFZMDRZBPGY-UHFFFAOYSA-N 316.449 1.801 30 50 DDEA O=[S@@+]1(O)C[C@@H]2[C@H](C1)NC(=S)N2c1ccc(F)cc1F 334158266 CFBNZFVSKIROHY-WCBMZHEXSA-P 305.351 1.383 30 50 DDEA CC(C)(C#Cc1ccccc1)NC(=O)/C=C/CN1CCOCC1 1875335094 SDCDBCHGTLIPQY-RMKNXTFCSA-N 312.413 1.821 30 50 DDEA N#C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H](Cn2cc(C3CC3)nn2)C1 1875323464 JLDUPNKKZLOZAG-AEGPPILISA-N 313.405 1.944 30 50 DDEA N#Cc1ccc(N[C@H]2CCN(Cc3ccccn3)C[C@@H]2O)nc1 1565510419 JPUITTCESYCEBO-HOTGVXAUSA-N 309.373 1.396 30 50 DDEA C[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)c2cccc(Cl)c2O1 194985455 PRDHRXWDFODXJQ-SECBINFHSA-N 317.736 1.617 30 50 DDEA C[C@@H]1NC(=O)[C@H](C)N(C(=O)CNc2ccc(C#N)cc2)[C@H]1C 585127391 ZBQWEOZUPPZVQW-SRVKXCTJSA-N 300.362 1.094 30 50 DDEA Cc1ccc(-n2ncc(C#N)c2/N=C/N2CCN(C)CC2)cc1 13110398 BOHSPWUWSQSWKF-CPNJWEJPSA-N 308.389 1.960 30 50 DDEA C#CCN(CC=C)C(=O)c1ccc(CSc2ncn[nH]2)o1 65452567 RXVWONBGWSYDOC-UHFFFAOYSA-N 302.359 1.951 30 50 DDEA COC(=O)C1=C(C(C)=O)[C@@H](c2ccc(C)c(C)c2)NC(=S)N1 127604820 WXOSDFJVBNGBLL-CYBMUJFWSA-N 318.398 1.838 30 50 DDEA Cc1cccc(S(=O)(=O)N(C)[C@@H](CO)C(C)(C)C)c1C#N 128403556 AXUSSIJSOQYDQP-AWEZNQCLSA-N 310.419 1.894 30 50 DDEA CCC#CCN1C[C@@H]2c3ccc(OC)cc3OC[C@]2(CO)C1 95501284 IUAPFMBAPUZLMS-SJLPKXTDSA-N 301.386 1.879 30 50 DDEA 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324.388 1.817 30 50 DDEA N#Cc1sccc1S(=O)(=O)N1CCCC[C@H]1CC(=O)O 899562412 YXXSRJGRSVMNSP-VIFPVBQESA-N 314.388 1.638 30 50 DDEA Cc1cc(=O)oc2ccn(CCOc3ncccc3C#N)c(=O)c12 1772491245 BZKHQTICVQXHRA-UHFFFAOYSA-N 323.308 1.609 30 50 DDEA C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN3CCCC[C@@H]23)CC1 229549721 FUNAHENVBKLILD-SJORKVTESA-N 320.481 1.953 30 50 DDEA C=C(C)COc1cccc(C(=O)NCCN2CCC[C@@H](O)C2)c1 55108333 QEUDBVPQRURQBV-MRXNPFEDSA-N 318.417 1.828 30 50 DDEA C#CC[C@H]1NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O 225429258 AIKKALOVOOKDDA-CYBMUJFWSA-N 305.378 1.159 30 50 DDEA CNC(=O)CCOc1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1 126400225 FHVDGXRVJQCXRG-UHFFFAOYSA-N 312.329 1.654 30 50 DDEA Cn1ncc2c1C[C@H](/C(O)=N/Cc1nnnn1CC1CC1)CC2 328681476 VCDTZOXWLINVJL-LLVKDONJSA-N 315.381 1.078 30 50 DDEA Cc1cnccc1N1CCC(C(=O)N2CCOC[C@H]2C#N)CC1 364362104 VDEFEGKNDQKFEE-OAHLLOKOSA-N 314.389 1.357 30 50 DDEA Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 368832340 CXAPFHHYWNMKNT-AWEZNQCLSA-N 314.345 1.923 30 50 DDEA 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N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ncccn2)CC1 4905946 XGJOHLYEXNKVTD-UHFFFAOYSA-N 310.317 1.583 30 50 DDEA Cn1cnnc1[C@H]1CN(Cc2cc(F)ccc2C#N)CCO1 328635590 NLYMWHAWZYNINW-CQSZACIVSA-N 301.325 1.399 30 50 DDEA Cc1nc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)ccc1C#N 370923830 PVCZAVNFKFPSMS-CYBMUJFWSA-N 310.361 1.004 30 50 DDEA COc1cccc([C@@H]2C[C@H](O)CN2c2nc(C)cc(C#N)n2)c1 285079584 PQRFLCOYMFLOQR-HOCLYGCPSA-N 310.357 1.978 30 50 DDEA COCCOc1ccc(C(=O)/C=C/c2ncnn2C)cc1OC 864086516 GZRGRJYLWFLMQE-FNORWQNLSA-N 317.345 1.745 30 50 DDEA Cn1cc([C@H]2OCC[C@@H]2C(=O)NCc2cccc(C#N)c2)cn1 275268030 JBGRELYJDMGTAY-JKSUJKDBSA-N 310.357 1.686 30 50 DDEA CN(C)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 202226044 DXRMSWHCXHJTIP-UHFFFAOYSA-N 304.199 1.486 30 50 DDEA N#Cc1ccc(CN[C@H]2CCCC[C@H]2n2cc(CO)nn2)o1 328606485 RSURBVFHVVELBA-LSDHHAIUSA-N 301.350 1.509 30 50 DDEA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1cc(C#N)c[nH]1 426380642 OMNCHBHMUFUIMA-ZDUSSCGKSA-N 314.389 1.749 30 50 DDEA N#Cc1cccc(NC(=O)N[C@H]2COC[C@@H]2N2CCCCC2)c1 299769421 NIHJLVQFAMIVJO-HOTGVXAUSA-N 314.389 1.933 30 50 DDEA CC#CC(=O)NC[C@H]1CCCC2(CN(C(=O)OC(C)(C)C)C2)O1 1875379922 ZPLHAFYRIDZNAH-CYBMUJFWSA-N 322.405 1.685 30 50 DDEA Cc1cc(C[C@H](C)NC(=O)c2ccc(C#CC(C)(C)O)o2)n[nH]1 952975274 OVZSWHRLPXKDIH-NSHDSACASA-N 315.373 1.795 30 50 DDEA NC(N)=N/N=C/c1ccccc1OS(=O)(=O)c1ccccc1 4676272 JMCMXQXKKZNDGC-LICLKQGHSA-N 318.358 1.062 30 50 DDEA Cc1cc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c(/N=C/N(C)C)n1 13144248 UUGBTZPMWZCZAD-MHWRWJLKSA-N 315.333 1.730 30 50 DDEA N#Cc1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)cn1 267368963 JJVIRHPXXZFUND-UHFFFAOYSA-N 321.384 1.714 30 50 DDEA N#Cc1c[nH]c(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)c1 299795864 MNTKDNHHMBZBTP-UHFFFAOYSA-N 314.389 1.751 30 50 DDEA N#Cc1ccc(N2CCC[C@H](CNC(=O)c3ccon3)C2)nc1 826785481 ZSBRJCOAWCSSAE-CYBMUJFWSA-N 311.345 1.588 30 50 DDEA C#CCCCc1noc(CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n1 1875321200 YADDBDZIZQKKRA-GVARAGBVSA-N 311.341 1.333 30 50 DDEA CCn1nccc1[C@@H]1OCCC[C@H]1CN1CCN(CC#N)CC1 596995351 MMPYAUHUMNMBTG-DOTOQJQBSA-N 317.437 1.512 30 50 DDEA Cc1ccc(NS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 201084550 SUCCUAMVSDTYKS-UHFFFAOYSA-N 311.212 1.666 30 50 DDEA COc1ccccc1/C=N/Nc1cc(N2CCOCC2)ncn1 4947110 YQFHBEDFCVYKNG-YBFXNURJSA-N 313.361 1.768 30 50 DDEA C=CCn1cc(CN2CCC[C@H](C(=O)NCCCO)C2)c(C)n1 55061181 PDXCSCQPAJYOAX-HNNXBMFYSA-N 320.437 1.088 30 50 DDEA Cc1ccc(N2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)nc1C#N 365000173 WNRKYVSYSDQCDR-INIZCTEOSA-N 313.361 1.171 30 50 DDEA CCn1cnnc1[C@H]1CN(C(O)=Nc2ccc(C)nc2)CCO1 328627784 NCPRYVQJUFRHOA-CYBMUJFWSA-N 316.365 1.620 30 50 DDEA CCC(CC)[C@@H]1C[C@H](/N=C(/O)N[C@@H]2CC[S@@](=O)C2)CCO1 329299674 VEUJGFDICWRCCU-UWPRPCKVSA-N 316.467 1.995 30 50 DDEA C#CCN1CCC(C(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OC)CC1 245358628 ZYHAXGMKDOVHKI-CAOSSQGBSA-N 318.417 1.036 30 50 DDEA CC(=O)N1CCO[C@@H]2CCN(c3nccc(C)c3C#N)C[C@H]21 886051603 NRZISDLWRGSQHU-HUUCEWRRSA-N 300.362 1.088 30 50 DDEA N#Cc1ccc(NCC(=O)NCC[S@@](=O)C(F)(F)F)cc1 585127861 LFSFQPLCKUHVBL-OAQYLSRUSA-N 319.308 1.355 30 50 DDEA CCC#CCN1CCCN(C(=O)c2ccnc(OC)c2)CC1 1529184619 BWLRXBMCUVTXLH-UHFFFAOYSA-N 301.390 1.652 30 50 DDEA O=C(C/N=C(/O)c1cccnc1)N1CCC[C@H]1C1CCOCC1 329492492 TZOPHOYQCODLNI-HNNXBMFYSA-N 317.389 1.804 30 50 DDEA N#Cc1cccc(S(=O)(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2CC(=O)O)c1 2325791347 QPKMRQHFSXHFDS-OUCADQQQSA-N 320.370 1.575 30 50 DDEA C=C(CN1CCN(Cc2cnn(C(C)(C)C)c2)CC1)C(=O)O 2325851494 AEWXHQBGYSHXLB-UHFFFAOYSA-N 306.410 1.397 30 50 DDEA CC(NCCCN1CCOCC1)=C1C(=O)c2ccccc2C1=O 100337834 JCDNTJSOLLTSTA-UHFFFAOYSA-N 314.385 1.652 30 50 DDEA C#C[C@H](C)NC(=O)COC1CCC(NC(=O)OC(C)(C)C)CC1 408519591 AEZYOEOAVZYANG-HSBZDZAISA-N 324.421 1.977 30 50 DDEA C#C[C@@H](C)NC(=O)COC1CCC(NC(=O)OC(C)(C)C)CC1 408519592 AEZYOEOAVZYANG-IYXRBSQSSA-N 324.421 1.977 30 50 DDEA COC(=O)c1cc(CN(C)C(=O)C#C[C@H]2CCCOC2)oc1C 1615589781 UZKXCVVATOISNF-CYBMUJFWSA-N 319.357 1.763 30 50 DDEA N#C/C(=N/Nc1ccccc1[N+](=O)[O-])C(=N)N1CCOCC1 13510914 OTZQXWHVUSLIRA-KSELWCIKSA-N 302.294 1.196 30 50 DDEA N#Cc1cnn2c(=O)nc(SCC3CC4(CCC4)C3)[nH]c12 2325783723 WRQDUDSLRRQJST-UHFFFAOYSA-N 301.375 1.962 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@H](c3nn[nH]n3)C2)N=N1 2325892617 ULFVJFISTWOKEZ-NSHDSACASA-N 301.354 1.261 30 50 DDEA C=CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 6731277 BQLIIJDWBNELJC-CYBMUJFWSA-N 310.375 1.268 30 50 DDEA CO[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2C#N)C12CCC2 416555749 FIOONDBCSDZQPL-ZIAGYGMSSA-N 306.387 1.794 30 50 DDEA COC[C@](C)(C#N)NC(=O)c1cc(Br)cn1C 137206870 PVVRCGBYTWZBBD-NSHDSACASA-N 300.156 1.446 30 50 DDEA N=C(O)NC1CCN(C(=O)C/N=C(/O)c2cccc(F)c2)CC1 330808036 NDWINFOONMVHJQ-UHFFFAOYSA-N 322.340 1.204 30 50 DDEA Cc1cccnc1NC(=O)[C@@H]1CCCN(c2cnc(C#N)cn2)C1 363713888 OAIVYZDYVYQGFE-CYBMUJFWSA-N 322.372 1.907 30 50 DDEA CC(C)n1cc([C@@H]2CN(c3nccnc3C#N)C[C@H]2CO)cn1 284574090 NIEPBDQBWFXRSZ-KBPBESRZSA-N 312.377 1.338 30 50 DDEA N#CC1(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)CCCCC1 299743829 MMXITSCZCPSCSZ-NXEZZACHSA-N 317.311 1.583 30 50 DDEA Cc1nc(NC(=O)CN2CCC[C@H](C#N)C2)sc1C(=O)O 299777947 IDFGQUSIPWHFHU-SECBINFHSA-N 308.363 1.324 30 50 DDEA Cn1cncc1[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)C[C@H]1N 864351314 GTQXYCAQOVMZDB-ZIAGYGMSSA-N 315.421 1.537 30 50 DDEA COCc1ccccc1S(=O)(=O)Nc1nn(C)c(C)c1C#N 585129615 PLCARQGWCUDMKS-UHFFFAOYSA-N 320.374 1.547 30 50 DDEA CC(C)(O)C#Cc1ccc(C(=O)NCCCn2ccnc2)cc1 12381156 LXXWVICYMOWOEA-UHFFFAOYSA-N 311.385 1.826 30 50 DDEA O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1 2568036 OZOMQRBLCMDCEG-VIZOYTHASA-N 314.257 1.741 30 50 DDEA fda Cc1cccc(S(=O)(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)c1C#N 263495819 QRJMLJSYWLHTTQ-LOWVWBTDSA-N 320.370 1.493 30 50 DDEA C=C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)CC)cnc1O 935699241 XJLTUHHQYUJJAP-LLVKDONJSA-N 324.402 1.762 30 50 DDEA C#CCCC1(CCNC(=O)[C@H]2CCc3nc(C)ncc3C2)N=N1 2325891450 HIBOHHBZBAQUOE-ZDUSSCGKSA-N 311.389 1.972 30 50 DDEA C=C(C)Cn1c(SC/C=C/C)nc2c1c(=O)[nH]c(=O)n2C 4810197 IKIMPFQHKYCEEK-AATRIKPKSA-N 306.391 1.668 30 50 DDEA CCn1cnnc1[C@@H]1CN(C(O)=Nc2cncc(C)c2)CCO1 328639249 WULCVRGQBFPREM-ZDUSSCGKSA-N 316.365 1.620 30 50 DDEA O=[S@@+]1(O)C[C@@H]2[C@H](C1)NC(=S)N2c1ccc(F)c(Cl)c1 334158205 YBHZVLVARKWXHZ-VHSXEESVSA-P 321.806 1.897 30 50 DDEA CN1C(=O)CC[C@H](CNc2cccc(C#N)n2)[C@H]1c1nccn1C 886094248 XNBXAMHOOFDDFB-WBMJQRKESA-N 324.388 1.708 30 50 DDEA Cn1cnnc1C[C@@]1(O)CCCN(c2ccc(F)cc2C#N)C1 886065702 RCQGBEXKWRHYSF-INIZCTEOSA-N 315.352 1.400 30 50 DDEA Cc1nsc(N2CCC(N(C)S(C)(=O)=O)CC2)c1C#N 408101720 SASGDEQUQALJNW-UHFFFAOYSA-N 314.436 1.183 30 50 DDEA Cc1cc(C)nc(N=C(O)N2CCO[C@H](c3nncn3C)C2)c1 328629299 OPQQGKIWUBTBCT-LBPRGKRZSA-N 316.365 1.446 30 50 DDEA CNC(=O)[C@@]1(COC)CCCN1Cc1ccc(OC)c(C#N)c1 591628996 RENBHAPFTROUGX-KRWDZBQOSA-N 317.389 1.294 30 50 DDEA COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)/C=C/c1cccc(C#N)c1 111142304 IJULPKDLCCFAKM-CNBITHIKSA-N 314.341 1.360 30 50 DDEA C=CCOC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 20707559 YCXGZDRFTSNWJQ-INIZCTEOSA-N 306.406 1.381 30 50 DDEA N#CCCN(CCC#N)C(=O)CN1CCC=C(c2ccccn2)C1 328595899 JPFHJNVXDFPREA-UHFFFAOYSA-N 323.400 1.827 30 50 DDEA CC(O)=Nc1ccn([C@@H]2CCN(C(=O)[C@H]3CCO[C@H]3C)C2)n1 328609028 BYJHYMMBHMCSFS-UHTWSYAYSA-N 306.366 1.689 30 50 DDEA COc1ccc(-c2nc(CN3CCOC[C@@H]3C#N)no2)cc1 177104270 IJBKZAOVJJRAMV-LBPRGKRZSA-N 300.318 1.470 30 50 DDEA CCCCCCCC(=O)N(C)Cc1nnc2n1CCNC2=O 952884155 ULBWSGFVDGKXKF-UHFFFAOYSA-N 307.398 1.340 30 50 DDEA CCc1nc(SCC(=O)N2CCCCCC2)[nH]c(=O)c1C#N 5238911 DKUUOKPWAXNVDG-UHFFFAOYSA-N 320.418 1.699 30 50 DDEA COC1(C(F)(F)CNS(=O)(=O)C[C@@H]2C[C@H]2C#N)CCC1 2325783123 ZLWTVWOAJQQQJO-UWVGGRQHSA-N 308.350 1.270 30 50 DDEA C#CCCC1(CCNC(=O)c2ccnn2-c2cccnc2)N=N1 2325900275 SALCFAJNWCGGHW-UHFFFAOYSA-N 308.345 1.963 30 50 DDEA C#CCN1CCC[C@H](Nc2cc(C(F)(F)F)nc3ncnn23)C1 884613799 WENOSVGCRFASAM-JTQLQIEISA-N 324.310 1.653 30 50 DDEA COc1cccc(OC)c1OCC#CCN1CCN(C)CC1 23114631 ZARXOQWZFDEYKG-UHFFFAOYSA-N 304.390 1.333 30 50 DDEA CCOC(=O)C1=NO[C@H](COc2ccccc2/C=N/OC)C1 5247433 SKVFIINVLKARJO-RGZVIEDOSA-N 306.318 1.754 30 50 DDEA C#CCCC1(CCNC(=O)c2cc([C@H]3CCCN3)[nH]n2)N=N1 2325900887 MWSQADIURKUUBQ-LLVKDONJSA-N 300.366 1.530 30 50 DDEA Cn1cc(C#N)cc1C(=O)NCCc1nc2c(s1)CCC2 299757520 IQNULOJITCPCKO-UHFFFAOYSA-N 300.387 1.814 30 50 DDEA N#Cc1ccc(NCC(=O)N[C@H]2CCCN(CCF)C2)cc1 585125800 FZDHSKHMNYJMCD-HNNXBMFYSA-N 304.369 1.520 30 50 DDEA C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCSC(C)(C)C1 907751522 IYXWEZJSTXTMCB-WDEREUQCSA-N 305.469 1.586 30 50 DDEA C=CCN(CC=C)S(=O)(=O)c1nc2nc(C)c(C)c(C)n2n1 93858 XMVSYVNXBUGLNS-UHFFFAOYSA-N 321.406 1.412 30 50 DDEA CC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc([N+](=O)[O-])c1 222864 SMDRTJMQOWDRMV-LBPRGKRZSA-N 300.278 1.459 30 50 DDEA OCc1cn([C@@H]2CCCC[C@@H]2NC(O)=Nc2cccnc2)nn1 328606708 SMQOUPZUXDTVJS-UONOGXRCSA-N 316.365 1.484 30 50 DDEA CC/N=C(/NCCOCC)N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1 240668583 HNPDQDLVFNCTOP-XHSDSOJGSA-N 308.470 1.405 30 50 DDEA CNC(=O)C[C@H]1CCN(Cc2ccc(C#CC(C)(C)O)s2)C1 670461286 KLMYXCMTDDFUCX-CYBMUJFWSA-N 320.458 1.829 30 50 DDEA C#CCCC1(CCC(=O)N2CCO[C@]3(CCCOC3)C2)N=N1 952881534 NOESJHCRPDGQSZ-OAHLLOKOSA-N 305.378 1.750 30 50 DDEA C=CCC(C)(C)CN1C[C@H]2CN(C(=O)C3CC3)C[C@@]2(C(=O)O)C1 1565507357 JWLSOQFLQAWXHS-KSSFIOAISA-N 320.433 1.844 30 50 DDEA Cc1nc(CN2C[C@@H](F)C[C@H]2CNc2ncccc2C#N)no1 275723190 OLXPKFAKCVFAPO-STQMWFEESA-N 316.340 1.669 30 50 DDEA C#C[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)[C@@H]1CCOC1 170616422 RBCDFRVBLFMCHX-SKDRFNHKSA-N 317.769 1.796 30 50 DDEA C=C(C)CNC[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 12195159 KYWMJZIBSHIBJJ-QGZVFWFLSA-N 324.371 1.984 30 50 DDEA C=CCn1c([C@H]2CCCN(S(=O)(=O)CC)C2)n[nH]c1=S 13322705 LBATVVNRMCOOLF-JTQLQIEISA-N 316.452 1.656 30 50 DDEA C[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CC(=O)N1 408465130 JNBHJKRBBRWBND-QMMMGPOBSA-N 322.162 1.281 30 50 DDEA CC(C)(CCCO)CNS(=O)(=O)c1ccsc1C#N 585090512 YNDPZOOJYCUXIH-UHFFFAOYSA-N 302.421 1.697 30 50 DDEA Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H]([C@H](C)N)C1 226943122 TXYIXURMRFUECX-JSGCOSHPSA-N 307.419 1.615 30 50 DDEA Cc1ccc([C@H](C)/N=C(/O)N2CCc3c(ncn(C)c3=O)C2)o1 328632464 RWVIVQJKTLRHPN-NSHDSACASA-N 316.361 1.715 30 50 DDEA C[C@@H](CO)N1CCCN(C(=O)c2cc(C#N)ccc2Cl)CC1 376000452 SMSAKKXMFWAJNY-LBPRGKRZSA-N 321.808 1.740 30 50 DDEA Cn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1Cc1ccc(C#N)o1 1875398844 GVZQKHSRDANDSK-KGLIPLIRSA-N 313.361 1.959 30 50 DDEA C[C@@H](CNCc1ccc(C#Cc2cn[nH]c2)cc1)S(C)(=O)=O 1775985139 NIRIGVYJNCJTHK-ZDUSSCGKSA-N 317.414 1.332 30 50 DDEA N#Cc1cc(N2CC[C@@](O)(Cn3ccnn3)C2)nc2ccccc12 585788349 BYNWWBMWKGCGBJ-KRWDZBQOSA-N 320.356 1.339 30 50 DDEA O=C(O)[C@@H]1CS[C@H](c2ccccc2O)N1C(=O)CCS 3814177 BSHDUMDXSRLRBI-JOYOIKCWSA-N 313.400 1.739 30 50 DDEA in-man C#Cc1cccc(CC(=O)NC2(c3nn[nH]n3)CCCCC2)c1 2325807769 RECOJBGRSNACDS-UHFFFAOYSA-N 309.373 1.699 30 50 DDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)c2nc(C(=O)O)cn2c1 170007279 WJKYKLVYKBXRNP-UHFFFAOYSA-N 302.139 1.640 30 50 DDEA CCn1nncc1/C(O)=N/[C@@H]1CCc2nc(C(C)C)nn2C1 328907101 BXHKROIXRPBBJA-SNVBAGLBSA-N 303.370 1.333 30 50 DDEA CC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc([N+](=O)[O-])c1 222860 SMDRTJMQOWDRMV-GFCCVEGCSA-N 300.278 1.459 30 50 DDEA COc1cccc([C@H]2C[C@@H](O)CN2c2nc(C)cc(C#N)n2)c1 285079575 PQRFLCOYMFLOQR-GDBMZVCRSA-N 310.357 1.978 30 50 DDEA CC1=CC(=O)C=C/C1=N/OS(=O)(=O)c1cccc([N+](=O)[O-])c1 1802634 DYIRNZGFPMSVBY-YPKPFQOOSA-N 322.298 1.741 30 50 DDEA CNC[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C)C1 227922945 PSSYHAGECACOJM-AWEZNQCLSA-N 307.419 1.487 30 50 DDEA CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)[C@@H](C)n1cccn1 252474792 MLEGWSFLHKYARA-CTASWTNQSA-N 305.426 1.865 30 50 DDEA Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2cccc(C#N)n2)CC(=O)N1C 328614818 WZAJRBFUBQIXEP-CXAGYDPISA-N 324.388 1.688 30 50 DDEA CC1(C)CCCN(Cc2nnnn2CC2CCOCC2)[C@H]1C#N 373096057 BTFVQKLSLJZBQJ-AWEZNQCLSA-N 318.425 1.614 30 50 DDEA Cn1cc(O[C@@H]2COC[C@@H]2NCc2ccc(C#N)cc2F)cn1 862495327 YHIZTQMDDBPVCZ-JKSUJKDBSA-N 316.336 1.367 30 50 DDEA N#C[C@H]1CN(C(=O)C2=CCOCC2)CCN1Cc1ccccc1 184408999 JWHFINBXVJUICF-KRWDZBQOSA-N 311.385 1.570 30 50 DDEA CN1C[C@@H](CNc2nc3c(cc2C#N)CCCC3)OCC1=O 826773330 RIPLKTRNJUTHKN-CYBMUJFWSA-N 300.362 1.101 30 50 DDEA Cc1nc(N2CCC[C@](O)(CC(=O)N(C)C)C2)ccc1C#N 591617561 DXYAASHFGPOAAR-INIZCTEOSA-N 302.378 1.071 30 50 DDEA COc1cccc(CN(C)C(=O)CN2CC[C@](O)(CC#N)C2)c1 592147831 OWEPWUONHAWPIF-QGZVFWFLSA-N 317.389 1.004 30 50 DDEA C#CCCC1(CCNC(=O)c2cnc(COC)nc2O)N=N1 2325887469 UWTFKXURUMOLOF-UHFFFAOYSA-N 303.322 1.024 30 50 DDEA O/C(=N/Cc1ccc(C2CC2)cc1)N1CCN2CCOC[C@@H]2C1 328588952 VCIVDFHXABUNRM-KRWDZBQOSA-N 315.417 1.994 30 50 DDEA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(O)=Nc2ccnc(C)n2)C1 328627912 NDOLOYKNOMYTLN-GHMZBOCLSA-N 318.337 1.484 30 50 DDEA CN1C[C@@H](CNS(=O)(=O)CCCC#N)Cc2ccccc21 364214706 RMDJIBZYYNGGKX-CYBMUJFWSA-N 307.419 1.518 30 50 DDEA CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(C#N)c[nH]1 364360336 QYURFDBMHMKDGP-HNNXBMFYSA-N 308.341 1.199 30 50 DDEA C[C@@H]1C[C@H](N2CC[C@@H](CNc3ccc(C#N)cn3)C2)C(=O)O1 222201036 KPPNYJGFJLNLPC-XBFCOCLRSA-N 300.362 1.391 30 50 DDEA Cc1cc(N2CC[C@@H](c3cc(O)nc(N(C)C)n3)C2)c(C#N)cn1 864313909 ZWPYSBFTQFHZAA-GFCCVEGCSA-N 324.388 1.817 30 50 DDEA CCC[C@@H](C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1)N(C)C 170616606 MGPIVJJMXCJJEG-KBPBESRZSA-N 323.437 1.991 30 50 DDEA C=CCN1C[C@H]2CN(C(=O)NC3CCCCC3)C[C@@]2(C(=O)O)C1 1073249618 REBWNWFNXVEHGT-GUYCJALGSA-N 321.421 1.533 30 50 DDEA C=CCOc1ccccc1C(=O)NC[C@]1(OCCO)CCOC1 585113614 RUMZOPFIYZCZPU-QGZVFWFLSA-N 321.373 1.149 30 50 DDEA C=CCNc1ncnc2sc(C(=O)NCCOC)c(C)c12 14993576 FCHNOHRAZSYZBO-UHFFFAOYSA-N 306.391 1.974 30 50 DDEA C[C@H](Oc1cccc(C#N)c1)C(=O)N1CC[C@@](C)(C(=O)O)C1 237650195 UXQLRJLRNPJBAN-MEDUHNTESA-N 302.330 1.649 30 50 DDEA N#CCCCn1cc(C(=O)Nc2cccc3c2CNC3=O)nn1 2325883405 ROYZAGZOORBHAH-UHFFFAOYSA-N 310.317 1.078 30 50 DDEA O=C(c1cccc(C#CCO)c1)N1CC[C@@H](c2cc(O)n[nH]2)C1 911847514 HRFDTZZAMVNHCD-CQSZACIVSA-N 311.341 1.089 30 50 DDEA C=CCN1C(=S)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]21 4140703 MRYKSDXQGJVVEE-STQMWFEESA-N 308.428 1.445 30 50 DDEA COC(=O)c1cn([C@H]2CCCN(c3ccc(C#N)nc3)C2)nn1 253430129 WZKIQUHAZUYTKD-ZDUSSCGKSA-N 312.333 1.173 30 50 DDEA N#Cc1ccc(OC2CN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)cc1 367488696 DJUVSWRSUMOYAC-LBPRGKRZSA-N 323.356 1.071 30 50 DDEA C=CCn1c(CN2CC[C@]3(CC(=O)NC3=O)C2)nc2ccccc21 82120796 WKUQCWSOHKXGHS-SFHVURJKSA-N 324.384 1.461 30 50 DDEA C=C(C)COc1ccc(NC(=O)NCCS(C)(=O)=O)cc1 96179834 VVPBLMMWIGGVBD-UHFFFAOYSA-N 312.391 1.808 30 50 DDEA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)Cc2ccc(C#N)cc2)C1 888077513 GASWLGKYKDYIDT-HUUCEWRRSA-N 310.357 1.812 30 50 DDEA CC1(C)OB(c2cccc(CC(=O)NC3CC3)c2)OC1(C)C 169936179 MEUJMWXJUFMQLN-UHFFFAOYSA-N 301.195 1.807 30 50 DDEA in-vitro Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2cc(C#N)cn2C)n1 408055120 RDPOCVJULOBKCZ-RNCFNFMXSA-N 315.333 1.190 30 50 DDEA Cc1noc([C@H]2CN(Cc3ccc(F)c(C#N)c3)CCN2C)n1 332263348 FHYBJKRCDBVPQN-OAHLLOKOSA-N 315.352 1.878 30 50 DDEA CN(C[C@@H]1CCc2nccn2C1)/C(O)=N/CC[C@H]1CCCO1 328625476 KUDKDDZMEBHWHU-UONOGXRCSA-N 306.410 1.860 30 50 DDEA N#CC1CCN(C(=O)CN2C[C@H](c3ccccc3)CC2=O)CC1 95529780 UPSWWLJCOBYCLM-MRXNPFEDSA-N 311.385 1.765 30 50 DDEA N#Cc1sc(=NCCCN2CCCOCC2)[nH]c1Cl 1875289514 YAIICAVZLQRAAF-UHFFFAOYSA-N 300.815 1.614 30 50 DDEA CCn1nc2c(c1C(=O)NC1CC(C#N)C1)C[C@H](C)O[C@@H]2C 1875314379 VIFNQTIIXULPHC-DMOGRIERSA-N 302.378 1.957 30 50 DDEA C#CCCC1(CCC(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)N=N1 952879858 BXHLAXIIOFSKMG-DZGCQCFKSA-N 305.378 1.749 30 50 DDEA C#CCCC1(CCNC(=O)[C@@]2(N)COc3ccccc3C2)N=N1 2325901030 QXJDARAIUXRVEV-INIZCTEOSA-N 312.373 1.401 30 50 DDEA C[C@@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CCN1CCO 343028088 IRVDWFHDYHKXNO-LLVKDONJSA-N 319.796 1.362 30 50 DDEA CN1CCO[C@@H]2CCN(C(=O)c3ccccc3OCC#N)C[C@H]21 225464560 ZMEIXLNAPXWBFB-GDBMZVCRSA-N 315.373 1.134 30 50 DDEA Cn1cc(CN2C[C@@H](F)C[C@H]2CNCc2ccc(C#N)o2)cn1 328630337 JGUXKKNDUVHCJL-KBPBESRZSA-N 317.368 1.587 30 50 DDEA Cc1nc(C(=O)N2CC[C@]3(CCCN(C)C3=O)C2)ccc1C#N 372441473 XIMKXCYTIQBQKM-QGZVFWFLSA-N 312.373 1.346 30 50 DDEA Cc1nc2c(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)ccnc2[nH]1 373907910 ZWZWVDMJSWXIGT-GFCCVEGCSA-N 310.361 1.079 30 50 DDEA N#Cc1ccc(OCCN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 284861909 QXSHPDNNIWRRCL-KSZLIROESA-N 316.401 1.799 30 50 DDEA N#Cc1c(F)cccc1N1CCC([C@@H](O)C(=O)NC2CC2)CC1 299753917 ZTYLHTJEMGZHSD-MRXNPFEDSA-N 317.364 1.553 30 50 DDEA CC#CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCN(C)CC1 1875370166 DOMYAYKYOQARFD-INIZCTEOSA-N 303.381 1.254 30 50 DDEA CC(C)[C@@H](NC[C@]1(C#N)C[C@H]1S(C)(=O)=O)C1(CO)CCC1 952992555 NTLYFLJNBUSHLF-UMVBOHGHSA-N 314.451 1.090 30 50 DDEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 275409464 BHOJPCCRHJLGQX-WFASDCNBSA-N 313.361 1.497 30 50 DDEA N#Cc1cccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)c1 222575048 TYAWFOARTNHVGL-GJZGRUSLSA-N 305.403 1.463 30 50 DDEA COC(=O)[C@H]1C(=O)[C@@H](C(=O)/C=C/c2ccco2)C(=O)CC1(C)C 100150829 OZNNWTQYFYFKJQ-HYLRALAJSA-N 318.325 1.835 30 50 DDEA biogenic N#Cc1cc(F)c(C(=O)NC[C@H]2CN(C3CC3)CCO2)c(F)c1 154926385 IWMRHRNXAOSKPK-LBPRGKRZSA-N 321.327 1.429 30 50 DDEA O[C@H]1[C@H]2C[C@@H]3[C@@H]4[C@@H]2C[C@H]([C@@H]4O)N(CC#Cc2ccc(F)cc2)[C@H]13 239527636 ATNQZVHBGMHQGU-QNIGTPJLSA-N 313.372 1.238 30 50 DDEA O=C([C@@H]1CO1)N1CCC(c2ccccc2)(N2CCCC2)CC1 1875372629 JXOBCOMHVZVLQX-INIZCTEOSA-N 300.402 1.999 30 50 DDEA COC(=O)/C=C/CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 1875273183 DWBDBPJHWFIZFZ-FIMWJMCYSA-N 313.357 1.372 30 50 DDEA CCOC(=O)c1nc(CCNc2cc(C#N)cnn2)sc1C 1615587089 IWKGMACLMRZMTN-UHFFFAOYSA-N 317.374 1.945 30 50 DDEA COCCN1C(=O)C(=O)/C(=C(\C)O)[C@H]1c1ccc(OC)cc1 1772492272 NRYTZQFJFJCJIA-JWAFFJSPSA-N 305.330 1.626 30 50 DDEA Cc1nnccc1N=C(O)N1CCN(CC(F)(F)F)[C@H](C)C1 330140088 WRXAAXDSFVOWAF-SECBINFHSA-N 317.315 1.899 30 50 DDEA C#CCCC1(CCNC(=O)c2c3n(c(=O)n2C)CCCC3)N=N1 2325891506 LLBYUQQZECAQGQ-UHFFFAOYSA-N 315.377 1.219 30 50 DDEA Cc1ncc(/C(O)=N/C[C@@H]2C[C@H](F)CN2CC(=N)O)c(C)n1 328607482 WBZDPZMUIZLGNK-QWRGUYRKSA-N 309.345 1.346 30 50 DDEA CNc1cc(N2CCC[C@@H]2CNc2cccc(C#N)n2)ncn1 174730831 RMUOUFGAYHLCGJ-CYBMUJFWSA-N 309.377 1.866 30 50 DDEA CCN1C[C@H](C)[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)C1 229311070 LFQGHGLJGNLDIP-WFASDCNBSA-N 307.419 1.318 30 50 DDEA CC(C)CN1CCC[C@@H]1C/N=C(/O)N1CC[C@](F)(CO)C1 328710948 REJNMCUKDZQWDD-UKRRQHHQSA-N 301.406 1.427 30 50 DDEA C=CC[C@]1(CO)CCCN(CC(=O)NCc2ccccc2)C1 91997978 VHRSAXVFTMFLJC-SFHVURJKSA-N 302.418 1.953 30 50 DDEA Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)C#CC(C)(C)C)C2)n1 952885969 FNEKJLQBYWCASB-YNEHKIRRSA-N 305.378 1.398 30 50 DDEA CC(C)(C)OC(=O)N1CCN(/C(N)=N/Cc2ccoc2)CC1 170904509 SYSLJDDYBKFRMX-UHFFFAOYSA-N 308.382 1.647 30 50 DDEA C=C(Cl)C[C@H](N)C(=O)N[C@H]1CS(=O)(=O)C12CCCCC2 2325778744 MXKJGEFVKNOODV-QWRGUYRKSA-N 320.842 1.072 30 50 DDEA Cc1cc(=N[C@@H]2CCCN(c3nccnc3O)C2)c(C#N)c(C)[nH]1 328625956 LEZJRVLGESODMP-CYBMUJFWSA-N 324.388 1.569 30 50 DDEA N#Cc1cc(C(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)c[nH]1 299744678 UCZGGNWOAXWRGI-AWEZNQCLSA-N 310.361 1.660 30 50 DDEA CCOC(=O)COc1cc(C(F)(F)F)cnc1/C(N)=N/O 263624652 SHLGRWAMUNZDNV-UHFFFAOYSA-N 307.228 1.137 30 50 DDEA C#CCCC1(CCC(=O)N[C@H]2CCc3nnc(O)cc3C2)N=N1 1875385520 UZVFGXJZTPDCRO-LBPRGKRZSA-N 313.361 1.511 30 50 DDEA CCS(=O)(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 224740592 MHWHESRHLUKRBZ-UHFFFAOYSA-N 311.212 1.747 30 50 DDEA CC(=O)Oc1c(C)cc(OC/C=N/NC(N)=S)c(C)c1C 5679092 KRHWKBSSWKTCSB-FZSIALSZSA-N 309.391 1.735 30 50 DDEA Cc1cccn(CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1=O 130275800 OSWZRTDUICXJLK-UHFFFAOYSA-N 323.352 1.318 30 50 DDEA C[C@@H](C(=O)N1CC(C)(C)Oc2ccccc21)n1cnc(C#N)n1 355355331 JHYZYOQEKOWHPL-NSHDSACASA-N 311.345 1.915 30 50 DDEA Cc1nn(C)c(-n2ccnc2C)c1/C(O)=N/CCN(C)C1CC1 330025319 KLASKEATKYPDOR-UHFFFAOYSA-N 316.409 1.621 30 50 DDEA CN1C[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2OCC#N)C1=O 285187196 IAMJAZFJQNMDEZ-TZMCWYRMSA-N 313.357 1.282 30 50 DDEA CCOC(=O)N1CCN(C(=O)Nc2ccc(C#N)nc2)CC1 95520489 CWRSGFVQHHCXAB-UHFFFAOYSA-N 303.322 1.259 30 50 DDEA COC(=O)/C=C/CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 1875273184 DWBDBPJHWFIZFZ-IJJSQOHJSA-N 313.357 1.372 30 50 DDEA C#CCCCc1noc(CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 1875321201 YADDBDZIZQKKRA-LWWSYDQCSA-N 311.341 1.333 30 50 DDEA N#Cc1cnnc(N2C[C@@H]3COC[C@]3(CN3CCCCC3)C2)c1 1776007248 FGIFHEWLPKOCPQ-WBVHZDCISA-N 313.405 1.287 30 50 DDEA NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1cccc(O)c1 5009278 TUPZGSRWDICQJM-UHFFFAOYSA-N 306.325 1.985 30 50 DDEA N#CC1(CS(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)CC1 166004025 VZSUKIQALFCJSU-GFCCVEGCSA-N 312.416 1.755 30 50 DDEA C#CCCC1(CCNC(=O)c2ccc3c(c2)OCC(=O)N3)N=N1 2325887376 LQZVGCSNXPYZNR-UHFFFAOYSA-N 312.329 1.713 30 50 DDEA CO[C@H]1CN(C(=O)NCCc2ccc(C#N)cc2)[C@](C)(CO)C1 602337915 ZSKSJRYAGSNMTN-WBVHZDCISA-N 317.389 1.282 30 50 DDEA Cc1c(C#N)c(N2CCN([C@@H]3CCNC3)CC2)nc2ccccc12 333612093 YDXWIHQNQHZRGK-OAHLLOKOSA-N 321.428 1.899 30 50 DDEA CCn1cc(CN(CCO)C(=O)c2cccc(C#N)c2C)cn1 241301040 LPXJIQZNPKDJGV-UHFFFAOYSA-N 312.373 1.718 30 50 DDEA N#Cc1cccnc1N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O 244872947 WHJSOELORSWNPC-UKRRQHHQSA-N 323.356 1.036 30 50 DDEA CC(C)(O)C#Cc1ccc(C(=O)NCCN2CCCCC2)o1 828166488 OHDFPNAUDUACFU-UHFFFAOYSA-N 304.390 1.618 30 50 DDEA CC(C)n1cc([C@@]2(O)CCN(Cc3cc(C#N)n(C)c3)C2)nn1 583617299 CPPSABWDEWWOGM-MRXNPFEDSA-N 314.393 1.163 30 50 DDEA COC[C@H](N/C(O)=N/[C@H]1CCO[C@@H]1c1cnn(C)c1C)C1CC1 328630672 QDNZCNLRCADSHQ-SOUVJXGZSA-N 322.409 1.487 30 50 DDEA C=CCN1CCN(C(=O)c2cc(OC)c(OC)cc2OC)CC1 55070099 JALUFANNXKNTPT-UHFFFAOYSA-N 320.389 1.656 30 50 DDEA CC(C)(O)C#Cc1cccc(C(=O)NCc2csc(N)n2)c1 65375200 TUGWYDXLDKPWDF-UHFFFAOYSA-N 315.398 1.778 30 50 DDEA CCOC(=O)[C@@](C#N)(Cc1c[nH]c2cc(C)ccc12)NC(C)=O 71769614 SDGKEJGTEIUCQN-KRWDZBQOSA-N 313.357 1.980 30 50 DDEA CC/N=C(/NC[C@@H]1CCN(C)C1)NC[C@H]1CCO[C@H]1C(C)(C)C 242196970 XGPJHZGXKOFDBB-ARFHVFGLSA-N 324.513 1.944 30 50 DDEA Cc1nnc(N2C[C@@H](F)C[C@H]2CNCc2ccc(C#N)o2)o1 886091326 RPHIJFBPBLYXFF-QWRGUYRKSA-N 305.313 1.549 30 50 DDEA COCc1cc(C)n(CC(=O)Nc2ccccc2)c(=O)c1C#N 33664 BZEIZLXTHYFRKH-UHFFFAOYSA-N 311.341 1.814 30 50 DDEA Cc1nccn1CC(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N 333798086 ZHSOCFRJXLOTBQ-GDBMZVCRSA-N 302.378 1.645 30 50 DDEA N#Cc1c[nH]ccc1=NC[C@H]1CC(=O)N(Cc2ccccc2)C1 372352946 AVVJWOBDHWMIDZ-OAHLLOKOSA-N 306.369 1.836 30 50 DDEA N#Cc1cccc(C(=O)N2CC[C@@H]3OCc4cnnn4[C@@H]3C2)c1 1076028224 PRUILAGCZRZEEX-CABCVRRESA-N 309.329 1.136 30 50 DDEA COc1ccc(CN2CCC[C@@](O)(c3cnn[nH]3)C2)cc1C#N 583617363 ASHCNCYWYOWIKY-INIZCTEOSA-N 313.361 1.169 30 50 DDEA C#CCCC1(CCNC(=O)C2(C3(O)CCN(C)CC3)CC2)N=N1 2325891717 XULIYBGWJFLERS-UHFFFAOYSA-N 318.421 1.305 30 50 DDEA C#CCCC1(CCNC(=O)c2nccnc2-n2ccnc2)N=N1 2325900733 HSFIERLOLHQNRU-UHFFFAOYSA-N 309.333 1.358 30 50 DDEA N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCC[C@@H]1CN 124480043 VJMSYDHGLJCBBB-SKDRFNHKSA-N 313.810 1.617 30 50 DDEA C#CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 230137721 QGKNYFGBFKAELT-BYNSBNAKSA-N 306.406 1.624 30 50 DDEA Cc1c([C@H]2OCC[C@@H]2N/C(O)=N/Cc2cscn2)cnn1C 328626593 LXLPTLPIYIWGBU-QWHCGFSZSA-N 321.406 1.719 30 50 DDEA N#CCCN(CCC#N)C(=O)CN1CCSC[C@H]1C1CC1 328600558 YRBHNCOJQURTRH-AWEZNQCLSA-N 306.435 1.470 30 50 DDEA CCN1CCN(C(O)=Nc2nc(C)c(C)o2)C[C@H]1c1ncc[nH]1 328636825 VQXHHKRNBCLOQB-LBPRGKRZSA-N 318.381 1.939 30 50 DDEA C[C@]1(C/N=C(/O)CN2C(=O)C3(CCCCC3)N=C2O)CCOC1 329270177 HFYYOISLJHWGNA-OAHLLOKOSA-N 323.393 1.829 30 50 DDEA CC(C)CS(=O)(=O)CCNC(=O)Nc1ccc(C#N)nc1 95508939 PTYTVITWFNFOTL-UHFFFAOYSA-N 310.379 1.146 30 50 DDEA N#Cc1cccc(N2CCC[C@@H](c3nccn3CC(N)=O)C2)n1 95501720 VORTYURQZURKAJ-GFCCVEGCSA-N 310.361 1.019 30 50 DDEA C=CC[C@]1(C(=O)O)CCCN(C(=O)CCCN2CCCC2=O)C1 91493419 NGJYDBSQRLSKCJ-KRWDZBQOSA-N 322.405 1.659 30 50 DDEA O=C[C@]12[C@H]3O[C@@H]4CC[C@H]5[C@H]1[C@H]1[C@H]([C@H]3[C@H]3[C@@H]6CC[C@@H](O)[C@@H]6[C@H]2[C@H]31)[C@@H]54 254594739 UGZDBBQRNAWFTH-VLHSOQJOSA-N 312.409 1.734 30 50 DDEA Cn1ccnc(N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1=O 275703360 RTCCQCAKYKASGL-ZDUSSCGKSA-N 310.361 1.128 30 50 DDEA N#Cc1cnc(N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)cn1 343241029 HWSMZXTWHZBEPG-BXUZGUMPSA-N 302.284 1.939 30 50 DDEA COCCOCCN1CCN(Cc2ccc(C#N)cc2)CC1 267478089 FVXHXXBFUVQGBH-UHFFFAOYSA-N 303.406 1.339 30 50 DDEA C=CCn1c(Sc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 812614 GPEGXNJAMFBIDZ-UHFFFAOYSA-N 314.370 1.761 30 50 DDEA CC#CC(=O)N1CCN(c2cc(-c3ccccc3F)[nH]n2)CC1 330032977 VIHDLBAPIODBME-UHFFFAOYSA-N 312.348 1.888 30 50 DDEA O=C1N=C(O)CC[C@@H]1/N=C(/O)[C@@H]1CC(=O)N(C2CCCC2)C1 328648382 IKFCUWQZOQUUMR-KOLCDFICSA-N 307.350 1.380 30 50 DDEA O=[S@@+]1(O)C[C@@H]2[C@H](C1)NC(=S)N2c1ccc(Cl)cc1 334158067 MPQMMXVOUWFVGE-VHSXEESVSA-P 303.816 1.758 30 50 DDEA C=CCN1CC[C@@H](CNC(=O)N(C)CCn2ccnc2C)C1 584890044 MZETYUUYWBIVLN-HNNXBMFYSA-N 305.426 1.341 30 50 DDEA COCc1nc([C@H]2CN(c3cc(C#N)ccn3)C[C@@H]2C2CC2)n[nH]1 952850836 QTLRSZUBKVLDPN-KGLIPLIRSA-N 324.388 1.848 30 50 DDEA C=CCN1CCC(NS(=O)(=O)c2cnc3ccccn23)CC1 1875289916 XWDCWVXSZCSCKN-UHFFFAOYSA-N 320.418 1.263 30 50 DDEA C[C@@H]1CCCC[C@@H]1CC(=O)NS(=O)(=O)c1cncc(C#N)c1 408489429 SKGXVKIDWOKDAX-DGCLKSJQSA-N 321.402 1.975 30 50 DDEA C=CCN1C[C@]2(C(=O)O)CN(C(=O)CC3CCCC3)C[C@@H]2C1=O 215269792 GWZWEOGFTFMDHE-DYVFJYSZSA-N 320.389 1.124 30 50 DDEA N#Cc1c(F)cccc1N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 133708474 KXSKEUDZTHKAOF-GFCCVEGCSA-N 323.393 1.702 30 50 DDEA N#Cc1c2cccc1COCCOCCOCCOCCOC2 4566160 XKJWCLGZGDRCFR-UHFFFAOYSA-N 321.373 1.655 30 50 DDEA C=C/C(O)=N/[C@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C 328599993 VIYUCDCUABWDEJ-AWEZNQCLSA-N 305.382 1.350 30 50 DDEA C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H](c2nncn2CC)C1 253433568 YPAAICDMLIXHJX-RBSFLKMASA-N 318.421 1.985 30 50 DDEA C=C(C)COc1cccc(NC(=O)N2CC[C@](O)(CO)C2)c1 97437034 SQJTVKXAXOBHJK-MRXNPFEDSA-N 306.362 1.603 30 50 DDEA C#CCN1CCC(NCc2nncn2CCc2ccccc2)CC1 952959741 QVOAWIWKWPOFJY-UHFFFAOYSA-N 323.444 1.708 30 50 DDEA CC1(C)OB(c2cccc(CN3CCOCC3)c2)OC1(C)C 169745736 RCGRLLZELIIKDH-UHFFFAOYSA-N 303.211 1.818 30 50 DDEA in-vitro N#CC1(C(=O)N[C@@H](c2ccccc2)[C@H]2C[C@H](O)C2)CCOCC1 222356024 NYEBQFAAOXPGOW-XHSDSOJGSA-N 314.385 1.935 30 50 DDEA C#CCCC1(CCC(=O)N2CCN(c3cc(C)[nH]n3)CC2)N=N1 2325886283 CRZJDQKDNCFQOO-UHFFFAOYSA-N 314.393 1.722 30 50 DDEA C#CCCC1(CCC(=O)NCCc2nc(C)cc(OC)n2)N=N1 2325892822 HZHOZPWJYMCVDO-UHFFFAOYSA-N 315.377 1.808 30 50 DDEA CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H](O)Cc2ccccc21 332659172 ATGQLWIFWVMBEN-QIIPPGSGSA-N 315.417 1.853 30 50 DDEA N#Cc1cnc(NC[C@H]2CC(=O)N(C3CCCC3)C2)nc1N 670451126 YUHSIBMGDWYQNX-SNVBAGLBSA-N 300.366 1.133 30 50 DDEA Cc1ccc(S(=O)(=O)N2CCC[C@@H](C#CC(=O)O)C2)c(C)c1 899930970 WRIOVHYFMSFZAJ-AWEZNQCLSA-N 321.398 1.792 30 50 DDEA CCO[C@@H]1C[C@@](CO)(NC(=O)c2cccc(C#N)c2)C1(C)C 188764714 WTDBOJZBJXDSHM-PBHICJAKSA-N 302.374 1.854 30 50 DDEA C[C@@H](C(=O)N1CCCN(c2cccc(C#N)n2)CC1)n1cccn1 1772814868 RYHDMXPUHYIQOP-AWEZNQCLSA-N 324.388 1.450 30 50 DDEA C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccnc2)cc1 12343824 BYIDPALRXJEZJB-UHFFFAOYSA-N 317.370 1.798 30 50 DDEA Cc1ncc2c(c1C#N)CCN(C(=O)[C@@H]1CCn3nccc3C1)C2 1875251085 VOQRBPCHABVBPM-CYBMUJFWSA-N 321.384 1.606 30 50 DDEA C=CCCS(=O)(=O)N[C@H]1CCCO[C@@H]1c1cnn(CC)c1 331155188 DDPWERWSESKCJU-UONOGXRCSA-N 313.423 1.619 30 50 DDEA C=CCNc1ccc(C(=O)N2CCN3CCN(C)C[C@H]3C2)cc1 65535302 COTNIYLSNBJSCR-KRWDZBQOSA-N 314.433 1.356 30 50 DDEA Cc1nn(C)cc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ncnn21 6921590 DIOMSTOUZFPXAF-AWEZNQCLSA-N 312.377 1.978 30 50 DDEA CN(Cc1nccc(N)n1)[C@@H]1CCCN(/C(O)=N/C2CC2)CC1 328621433 ALISYCJBEKFZPJ-CYBMUJFWSA-N 318.425 1.422 30 50 DDEA N#Cc1ccc(CNC(=O)N2CC(F)(F)C[C@@H]2CO)c(F)c1 614812217 MSJGQNRBWSOOBB-LLVKDONJSA-N 313.279 1.609 30 50 DDEA Cc1nnc(SCC(=O)N2CCn3nc(C#N)cc3C2)s1 1506396747 MZZNYKACECZXEC-UHFFFAOYSA-N 320.403 1.049 30 50 DDEA COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCC(=O)O)cc1 17991262 NJKMDJJVFBMYSA-CQSZACIVSA-N 319.313 1.454 30 50 DDEA biogenic Cc1nn(C)c2nc(N3Cc4c[nH]nc4[C@H](C)C3)c(C#N)cc12 2325775452 MDSSMDAKCCWPNN-SECBINFHSA-N 307.361 1.995 30 50 DDEA C#CCCC1(CCNC(=O)C2(Cc3ccccc3)CNC2)N=N1 2325901185 XERSVCPSHIMGGX-UHFFFAOYSA-N 310.401 1.901 30 50 DDEA C=CCN1C(=S)N(c2ccc(C)cc2)[C@H]2CS(=O)(=O)C[C@H]21 2693006 XNXSCSXHDUDDCM-KGLIPLIRSA-N 322.455 1.754 30 50 DDEA Cc1c(C#N)c([N+](=O)[O-])nn1CC(=O)OCc1ccccc1 4821328 QRRQDGTUHGTTBK-UHFFFAOYSA-N 300.274 1.715 30 50 DDEA CCOc1cc(C#N)ccc1OCC(=O)NC[C@H]1CCCO1 4856169 CIOVAALSJOKTPZ-CYBMUJFWSA-N 304.346 1.631 30 50 DDEA COC[C@@H]1C[C@@H](OC)CN1CCOc1ccc(C#N)cc1OC 344371768 QSIZEFXEVNBWTM-LSDHHAIUSA-N 320.389 1.681 30 50 DDEA O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])o1 229924842 OEWFLNZAFXFIFF-SDUAAAJKSA-N 315.285 1.719 30 50 DDEA O=C[C@]12[C@H]3O[C@@H]4CC[C@H]5[C@H]1[C@H]1[C@H]([C@H]3[C@H]3[C@@H]6CC[C@H](O)[C@H]6[C@H]2[C@H]31)[C@@H]54 254594721 UGZDBBQRNAWFTH-BAZALICFSA-N 312.409 1.734 30 50 DDEA CCC(=O)N1CC[C@@H](C(=O)Nc2cc(C)n(CCC#N)n2)C1 271129577 MDUPSWAUQDZRAK-GFCCVEGCSA-N 303.366 1.302 30 50 DDEA C=CCNC(=O)C(=O)Nc1ccc(C(=O)OCCCC)cc1 5951525 CZTJDHAMTNJIPZ-UHFFFAOYSA-N 304.346 1.884 30 50 DDEA Cc1cc(=O)n(CC(=O)NC2(C#N)CCC2)cc1Br 225501088 GYXCTTRMABVPJI-UHFFFAOYSA-N 324.178 1.482 30 50 DDEA N#Cc1ccc(F)c(CNC(=O)N2CC(=O)N(C3CC3)C2)c1 331389053 LWDVLLLIIYTUSS-UHFFFAOYSA-N 302.309 1.171 30 50 DDEA C[C@@](O)(CN1CCC(n2cnc(C#N)n2)CC1)C(F)(F)F 366905942 VRWUNYAJGNKDFL-LLVKDONJSA-N 303.288 1.100 30 50 DDEA C#CCCC1(CCC(=O)N=c2ccn(C[C@H]3CCCO3)[nH]2)N=N1 2325900113 LECMUXNOJVLMSM-CYBMUJFWSA-N 315.377 1.778 30 50 DDEA COC[C@@]12COC[C@@H]1CN(c1nc3c(cc1C#N)CCCC3)C2 2356143269 ARFQFYBTSRTHSG-YJBOKZPZSA-N 313.401 1.931 30 50 DDEA N#Cc1ccc(CCC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 172754229 PWQOZEUFASDFFL-KRWDZBQOSA-N 313.401 1.424 30 50 DDEA C[C@H]1CCN(C(=O)CC#N)C[C@H]1N(C)c1ncnc2[nH]ccc12 13974880 UJLAWZDWDVHWOW-WCQYABFASA-N 312.377 1.545 30 50 DDEA biogenic,in-vitro C=CCN(C1CC1)S(=O)(=O)c1cc(OC)ccc1C(=O)O 634653503 XGKNSBUHXMBDKC-UHFFFAOYSA-N 311.359 1.733 30 50 DDEA Cn1cc(CN[C@@H]2CCN(c3ccccc3F)C2=O)cc1C#N 191020289 AKRNCEGHUJZXCG-OAHLLOKOSA-N 312.348 1.931 30 50 DDEA C[C@@H](CN(C)C)[C@@H]1CCCCN1S(=O)(=O)CCCC#N 585114898 DWOHYCQVGDCRBE-KBPBESRZSA-N 301.456 1.672 30 50 DDEA N#CC1(CS(=O)(=O)NC(=O)C2(C(F)(F)F)CCC2)CCC1 835314918 MGQFLJGFQHRNAB-UHFFFAOYSA-N 324.324 1.859 30 50 DDEA C#C[C@@]1(O)CCC[C@H](NC(=O)c2cn(C)nc2C(F)(F)F)C1 2325782292 LDXANUQHBFMGIX-TVQRCGJNSA-N 315.295 1.476 30 50 DDEA C=C(C)CNC(=S)N1CCN(C(=S)NCC(=C)C)CC1 2334983 BWXCNSOGJHZGQH-UHFFFAOYSA-N 312.508 1.505 30 50 DDEA CC1(C)OB(c2cccc(F)c2CS(C)(=O)=O)OC1(C)C 170017344 OMABJVFUDBTTDG-UHFFFAOYSA-N 314.187 1.670 30 50 DDEA Cc1cccc(S(=O)(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c1C#N 428191048 TUOZOGICBZYBJG-BYNSBNAKSA-N 316.382 1.441 30 50 DDEA CN1C[C@H]2CN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C[C@H]2C1 253420214 GIPHUJDOEKWTJB-ZACQAIPSSA-N 308.385 1.261 30 50 DDEA Cc1cc(NC(=O)[C@@H]2COc3ccccc3C2)nn1CCC#N 362382203 PSAIMVXCSBEQRK-AWEZNQCLSA-N 310.357 2.295 30 50 DDEA Cc1nc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)ccc1C#N 172759030 RAIGEHPVHBXLIE-CQSZACIVSA-N 324.388 1.394 30 50 DDEA N#Cc1ccc2ncc(CN3CC[C@H](C(=O)N4CCCC4)C3)n2c1 377855098 IOIOXQCWMHLXPT-HNNXBMFYSA-N 323.400 1.650 30 50 DDEA Cn1cc(CN[C@@H]2CCN(C(=O)Cc3ccccc3)C2)cc1C#N 376769405 RVWOCQIYYMHOJG-QGZVFWFLSA-N 322.412 1.830 30 50 DDEA CC(C)(C)OC[C@H](O)CN1CCN(c2ccccc2C#N)CC1 263717924 QKDCFVKPUCKTOZ-MRXNPFEDSA-N 317.433 1.856 30 50 DDEA CCS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 675050759 UGANQQOTJSMEJZ-UHFFFAOYSA-N 310.224 1.921 30 50 DDEA N#CCc1cccc2c1CCN(C(=O)NC[C@H]1[C@@H]3COC[C@H]13)C2 1616043305 XTYCHASDXPVWLI-OSYLJGHBSA-N 311.385 1.713 30 50 DDEA COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCCO)cc1 5789524 YPQZPKOMSGUVGJ-CQSZACIVSA-N 305.330 1.362 30 50 DDEA Cc1c(C#N)c(N2CCN3CCOC[C@H]3C2)nc2ccccc12 570132057 RCHCYBSVOAFXSZ-CQSZACIVSA-N 308.385 1.936 30 50 DDEA CNS(=O)(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 170006234 KZQGHOMIBYNIEB-UHFFFAOYSA-N 311.212 1.202 30 50 DDEA COc1ccc(C#CC(=O)NC[C@@H]2CCCN(C(C)=O)C2)cc1 20601754 XWZWKVKZAYCWHN-INIZCTEOSA-N 314.385 1.421 30 50 DDEA N#Cc1ccc(S(=O)(=O)N2CC[C@H](N)C2)cc1C(F)(F)F 125087143 OPBCYVOWUIKMCS-VIFPVBQESA-N 319.308 1.299 30 50 DDEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNc1cncc(C#N)n1 886079611 GKEWAVILNMVYFP-WBMJQRKESA-N 312.377 1.888 30 50 DDEA Cc1cc(C(=O)O/N=C(\N)c2cccnc2)ccc1[N+](=O)[O-] 18276808 ZHVUJJLJCVELHA-UHFFFAOYSA-N 300.274 1.776 30 50 DDEA Cc1ccc2ncnc(N3CCCn4nc(C#N)cc4C3)c2n1 1857670940 IMPVLNSFWZLNNI-UHFFFAOYSA-N 305.345 1.812 30 50 DDEA COCC/N=C(/O)c1c[nH]nc1[C@@H]1CCCN(CCOC)C1 328603702 GYENKODCLJAVKZ-GFCCVEGCSA-N 310.398 1.187 30 50 DDEA O=C1C[C@H](C(=O)Nc2ccccc2F)C2=C(CCCC2=O)N1 100418442 TXSKXCRWMMWXRN-VIFPVBQESA-N 302.305 1.907 30 50 DDEA N=C(O)CN1C[C@@H](F)C[C@H]1C/N=C(/O)COc1cccnc1 328607308 VKFDORQPZBNADK-QWRGUYRKSA-N 310.329 1.365 30 50 DDEA N#CC1(C(=O)NCc2cccc(OCC(=O)O)c2)CCCC1 237968344 QOAGUMAPHKPIOJ-UHFFFAOYSA-N 302.330 1.850 30 50 DDEA c1ccc(C(/N=C2\NCCN2C2=NCCN2)c2ccccc2)cc1 96028049 NRBCHQININSVNW-UHFFFAOYSA-N 319.412 1.996 30 50 DDEA CCNCC1CCN(S(=O)(=O)c2ccc(C#N)cc2C)CC1 237050647 XRLASKXBIDENPW-UHFFFAOYSA-N 321.446 1.877 30 50 DDEA CCc1ocnc1C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 170635725 BOGZJHQZTPFWPZ-UHFFFAOYSA-N 319.342 1.536 30 50 DDEA C=CCC(=O)N[C@H]1CC(=O)N(CCc2ccc(OC)cc2)C1 12073625 DRQFITMKSXWAQQ-AWEZNQCLSA-N 302.374 1.531 30 50 DDEA Cc1cc(=O)c(-c2noc([C@]3(C#N)CCOC3)n2)c2n1CCC2 1857527525 FTRJWVABWMHVBG-INIZCTEOSA-N 312.329 1.335 30 50 DDEA Cc1c(C#N)c(N2CC[C@H]3OCC(=O)N[C@H]3C2)nc2ccccc12 1857674367 FMTUCIDCSKOSID-JKSUJKDBSA-N 322.368 1.509 30 50 DDEA CC1(C)OB(c2ccc(NC[C@H]3CCCO3)nc2)OC1(C)C 214108148 PXYGHZWAAXGHNE-CYBMUJFWSA-N 304.199 1.972 30 50 DDEA in-vitro CCC#CCN1CCN(C)[C@@]2(CCC(=O)N(CCOC)CC2)C1 107404492 USHMLVAKHQLWOV-GOSISDBHSA-N 321.465 1.045 30 50 DDEA N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2c2ncccn2)cc1 602897562 KVFRXYCINLROND-WBVHZDCISA-N 324.384 1.925 30 50 DDEA Cn1cc(N2CC[C@@H](Nc3nc4c(cc3C#N)CCC4)C2)cn1 361829747 MBTQGCXKIYIVAK-CQSZACIVSA-N 308.389 1.866 30 50 DDEA C[C@@H]1C[C@H](C(=O)N2CC(=O)Nc3ccc(C#N)cc32)CCC1=O 333876284 QLQBLPZFQOBVMQ-ZYHUDNBSSA-N 311.341 1.849 30 50 DDEA Cc1csc2ncc(C(=O)N[C@]3(C#N)CC3(C)C)c(=O)n12 291375236 DMQPUGBDEKFWIS-AWEZNQCLSA-N 302.359 1.487 30 50 DDEA CC(C)N1CCO[C@H](CC(=O)NCc2ccc(C#N)cc2)C1 97823568 QMWOLXAAVIOFDL-MRXNPFEDSA-N 301.390 1.674 30 50 DDEA CCn1nc2c(c1C(=O)N1CC(O)(CC#N)C1)C[C@H](C)O[C@@H]2C 1875314231 OBCIIYVQXFPKCU-WDEREUQCSA-N 318.377 1.026 30 50 DDEA C#CCCC1(CCC(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)N=N1 952879877 BXHLAXIIOFSKMG-ZFWWWQNUSA-N 305.378 1.749 30 50 DDEA CC(C)n1cc([C@]2(O)CCCN(c3ncccc3C#N)C2)nn1 583616903 XOJNTZONVRKLBM-INIZCTEOSA-N 312.377 1.614 30 50 DDEA COc1cc(/C(O)=N/[C@H]2CCO[C@@H]2c2cnn(C)c2C)on1 328610446 HXCOSZQYEGBYGX-GXFFZTMASA-N 306.322 1.560 30 50 DDEA C#CCN1C(=O)[C@](O)(CC(=O)c2ccccn2)c2ccccc21 98939 IIKRWGBYCAQESI-SFHVURJKSA-N 306.321 1.522 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H](C)c2nc([C@@H](C)O)n[nH]2)N=N1 2325894970 CLLLLXHNQIKXGU-VHSXEESVSA-N 304.354 1.391 30 50 DDEA COc1cccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCN(C)C)c1 22146496 RWJOTXLDDPCGSP-HNNXBMFYSA-N 318.373 1.541 30 50 DDEA C[C@H](O)CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 283051588 RCSDFNAYTOSWDM-ZETCQYMHSA-N 303.240 1.959 30 50 DDEA N#Cc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)cn1 219127911 YIEHGLRQCJVRDU-CABCVRRESA-N 301.346 1.267 30 50 DDEA CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cncn2C)C1 585125667 ATWOYDPREWPPHY-HNNXBMFYSA-N 309.373 1.643 30 50 DDEA Cc1ccc(S(=O)(=O)/N=C(\O)N2C[C@H](C)O[C@H](C)C2)cc1 18033871 QCOPOBCNXPBPIJ-TXEJJXNPSA-N 312.391 1.707 30 50 DDEA N#Cc1ccc(Cl)cc1N1CCC[C@@H](N2CCNCC2=O)C1 333909979 LAUGLWXKYQTNRM-CQSZACIVSA-N 318.808 1.612 30 50 DDEA CN1CCO[C@@H](CN(CC2CC2)C(=O)c2c[nH]c(C#N)c2)C1 252550896 TTZNIPUAIASAHN-OAHLLOKOSA-N 302.378 1.069 30 50 DDEA Cc1nn(C)c(=O)c(C(=O)N2Cc3cccc(C#N)c3C2)c1C 593362209 CFRNVLXSPKXNFG-UHFFFAOYSA-N 308.341 1.425 30 50 DDEA CNC[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1Cl 127047087 XUNYZNFOZNTBJM-NSHDSACASA-N 313.810 1.584 30 50 DDEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)O)s1 4196122 UQOFZBLKJFNIOI-LLVKDONJSA-N 307.371 1.560 30 50 DDEA Cc1ncc2c(n1)[C@@]1(CCCN(c3nccnc3C#N)C1)CC2 2356138727 GJJJNKZPIAWBKX-KRWDZBQOSA-N 306.373 1.931 30 50 DDEA N#CCCN1CN(c2ccc(Cl)cc2)CN/C1=N\[N+](=O)[O-] 4981659 CVNJDOHHXQUUHB-UHFFFAOYSA-N 308.729 1.428 30 50 DDEA CN1CC[C@H]2OCCN(C(=O)c3ccc(F)c(C#N)c3)[C@@H]2C1 284775248 AKIRGYQWJAMQJI-HUUCEWRRSA-N 303.337 1.242 30 50 DDEA C=CCN1CC[C@@]2(CCC1=O)CN(C(=O)NCCC)CCN2C 95359640 COSIHCXDHRFDIT-KRWDZBQOSA-N 322.453 1.291 30 50 DDEA C=CC[C@]1(CO)CCCN(c2nc3c(cc2C(N)=O)CCC3)C1 91444562 MUONHZOVOYULMK-SFHVURJKSA-N 315.417 1.824 30 50 DDEA O=[N+]([O-])/N=C1\NCN(Cc2ccco2)CN1Cc1ccco1 15835975 JVPFLGAVHMWNSY-UHFFFAOYSA-N 305.294 1.243 30 50 DDEA C=CCOc1ccccc1C(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C 585130249 LENIWPSAKWNBHF-HOCLYGCPSA-N 317.433 1.616 30 50 DDEA CNC(=O)C[C@]1(O)CCCN(Cc2ccc(C#N)c(F)c2)C1 591633610 UZYZYWGBIGLNBN-MRXNPFEDSA-N 305.353 1.160 30 50 DDEA Cc1cccc(F)c1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 364395532 UPYLMABACVZYGP-ZDUSSCGKSA-N 323.393 1.495 30 50 DDEA OCc1cn([C@@H]2CCCC[C@@H]2NC/C(O)=N/CC2CC2)nn1 328606539 RYBGFBGBIKBSNN-UONOGXRCSA-N 307.398 1.210 30 50 DDEA N#Cc1nccnc1N1CCCO[C@H](CN2CCCCC2)C1 670471901 WPAZEVKAMQBSHK-CQSZACIVSA-N 301.394 1.429 30 50 DDEA CC(C)OCCC(=O)NS(=O)(=O)c1cc(F)cc(C#N)c1 1875313071 GSOWTGPQCGYSIA-UHFFFAOYSA-N 314.338 1.317 30 50 DDEA CN(CC#N)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 265205998 KGDNXQKHTAUQDF-GXTWGEPZSA-N 305.765 1.841 30 50 DDEA COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCC#N)c1 4113726 NEHQOVVRJBNMBR-AWEZNQCLSA-N 315.329 1.780 30 50 DDEA CCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O 2573086 YUABCDNZADIENZ-UHFFFAOYSA-N 317.259 1.919 30 50 DDEA COc1ncc(-c2c(C#N)c(N)nc3c2N2CCC3CC2)cn1 102301879 PGHDCTWTPYAUGB-UHFFFAOYSA-N 308.345 1.698 30 50 DDEA CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](OS(C)(=O)=O)C1 307497220 GKFBZZHPGGBZIE-QMMMGPOBSA-N 315.338 1.607 30 50 DDEA Cc1c([C@H]2OCC[C@@H]2NC(=O)c2cc(C#N)cn2C)cnn1C 328612908 QAOCHBKCJAXLOL-DZGCQCFKSA-N 313.361 1.199 30 50 DDEA C=CCNC(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71707743 ROBLCKXNXZNYMO-ZDUSSCGKSA-N 317.389 1.278 30 50 DDEA C[C@@H](O)c1cn(C2CN(c3ccc(Cl)c(C#N)n3)C2)nn1 378535269 ACEUDHNCWOUIIU-MRVPVSSYSA-N 304.741 1.313 30 50 DDEA N#C[C@H]1N(Cc2ncnn2CCF)CCC[C@]12CCCCO2 240333217 FCIQDYRSNRIQDJ-UKRRQHHQSA-N 307.373 1.675 30 50 DDEA COC[C@]1(O)CCN(Cc2cc(C#CCO)cs2)CC1(C)C 91737769 YFQPDRQQFWSSMA-QGZVFWFLSA-N 323.458 1.701 30 50 DDEA C=CCn1nc(C)c(C(=O)N2CCC3(CCC(=O)N3)CC2)c1C 670468727 ZSMZWCRYTSORJM-UHFFFAOYSA-N 316.405 1.571 30 50 DDEA CCCCCCCC(=O)N[C@H](C)c1nnc2c(=O)[nH]ccn12 1332006796 IGPMMIXKTWOPMD-LLVKDONJSA-N 305.382 1.955 30 50 DDEA CCn1ncc(C#N)c1NS(=O)(=O)Cc1cccc(F)c1 187761845 FLJUYSAHOFAVTK-UHFFFAOYSA-N 308.338 1.856 30 50 DDEA CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@H](C)C2(C)CC2)CC1 110705511 IQSVDOVYUGGYPF-CVEARBPZSA-N 320.481 1.799 30 50 DDEA CNC(=O)[C@]1(COC)CCCN1Cc1cc(C#N)ccc1F 591646800 KLGVUYDXBILDBA-MRXNPFEDSA-N 305.353 1.424 30 50 DDEA CC1(C)NC(=O)CC[C@H]1NC(=O)Cc1cccc(OCC#N)c1 801740675 JTPYEVFXQBDOSV-CQSZACIVSA-N 315.373 1.305 30 50 DDEA C#CCCC1(CCC(=O)NCc2c(C)nn(C)c2N(C)C)N=N1 2325892771 BFZUDLLXQOAJPP-UHFFFAOYSA-N 316.409 1.766 30 50 DDEA CC/C(=C\C(CNC(=O)c1cccnc1)=N\O)[C@@H](C)[N+](=O)[O-] 53186993 KIWSYRHAAPLJFJ-XWWPGVMLSA-N 306.322 1.643 30 50 DDEA investigational Cc1cc(CN2CCN(C3CC3)[C@H](C#N)C2)ccc1-n1cncn1 371325011 BNTMRWHCABKHNH-QGZVFWFLSA-N 322.416 1.748 30 50 DDEA C[C@@H](CO)N1CCCN(C(=O)c2ccc(CC#N)cc2)CC1 372733590 YVRBBWCZAMAFIF-AWEZNQCLSA-N 301.390 1.281 30 50 DDEA C=CCOc1ccc(CN2CCO[C@@]3(CNCCOC3)C2)cc1 72152724 LACIJDINAZFZPN-SFHVURJKSA-N 318.417 1.442 30 50 DDEA COC(=O)c1cc(-c2c(C)nn(C)c2C)nc2c(C#N)cnn12 13645124 SEKHUPSCHWKLIP-UHFFFAOYSA-N 310.317 1.405 30 50 DDEA CC(C)(C)OCC(=O)NS(=O)(=O)c1cccc(F)c1C#N 160073960 QGRKCOGNTDLQNH-UHFFFAOYSA-N 314.338 1.317 30 50 DDEA CN([C@H]1CCCNCC1)S(=O)(=O)c1cc(F)cc(C#N)c1 866777643 MIWZFBYSFYODER-ZDUSSCGKSA-N 311.382 1.460 30 50 DDEA C#CCCC1(CCC(=O)N2CCOC3(CCN(C)CC3)C2)N=N1 952882657 WRMIHFLOYNQLJD-UHFFFAOYSA-N 318.421 1.665 30 50 DDEA CCC[C@H](C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1)N(C)C 170616607 MGPIVJJMXCJJEG-UONOGXRCSA-N 323.437 1.991 30 50 DDEA C=CCc1cc(C(=O)NCCN2CCOCC2)ccc1OC 14399279 BIHVPAUUBAONCP-UHFFFAOYSA-N 304.390 1.486 30 50 DDEA COc1ccc(C/C(N)=N/OC(=O)c2ccco2)cc1OC 18276031 JCCLICNLXSQJGA-UHFFFAOYSA-N 304.302 1.969 30 50 DDEA COC[C@H](C)S(=O)(=O)NC(=O)/C=C/c1cccc(C#N)c1 113699320 LLJKTLOJLHKMNR-MLRMMBSGSA-N 308.359 1.052 30 50 DDEA CC#CCNC(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 135573507 SHUKOHXOQBXOBQ-CYBMUJFWSA-N 317.389 1.605 30 50 DDEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)c2cscn2)C1 328646107 SJCZHJKIAYVTLC-UHFFFAOYSA-N 309.391 1.775 30 50 DDEA CN1CC[C@H](N(C)CCC(=O)NCc2ccc(C#N)cc2)C1 426361301 PSKXWNWMTGMGMN-INIZCTEOSA-N 300.406 1.200 30 50 DDEA CC(C)N1C(=O)C2(CCNCC2)N/C1=N\C(=O)OC(C)(C)C 261508113 PVSHWXIZQNPTNZ-UHFFFAOYSA-N 310.398 1.240 30 50 DDEA Cc1cc(C#N)c(O)nc1C(=O)N1CC[C@@H](c2cccnc2)C1 1452181557 PSGUVNCECJXVRW-CYBMUJFWSA-N 308.341 1.992 30 50 DDEA C=CC(=O)N(CC)CC(=O)N[C@@H](COC)c1cccc(C#N)c1 1875367013 KSDXAYRXDMMOSG-HNNXBMFYSA-N 315.373 1.396 30 50 DDEA N#Cc1cccc(CS(=O)(=O)NC(=O)CC[C@@H]2CCOC2)c1 170656447 MCGBDTOVXFWYPD-GFCCVEGCSA-N 322.386 1.321 30 50 DDEA N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[C@@H]32)c(NCCO)c1 1615046652 WQOLBPDOLJRQCW-OCCSQVGLSA-N 321.402 1.135 30 50 DDEA CCC#CCN1CCCN(C(=O)[C@@H](CC)N2CCOCC2)CC1 1772816886 WDUBVIXUGAPLRO-QGZVFWFLSA-N 321.465 1.045 30 50 DDEA C=CCn1c(C)nnc1SCC(=O)Nc1nnc(C)s1 11208390 ARYQWXCYOYKREP-UHFFFAOYSA-N 310.408 1.663 30 50 DDEA N#Cc1cc(F)ccc1CN1CCC[C@](O)(Cn2ccnn2)C1 331718480 JCQVQPDIXYBTLC-MRXNPFEDSA-N 315.352 1.316 30 50 DDEA CNC(=O)[C@@]1(COC)CCCN1Cc1ccc(OCC#N)cc1 818263105 BYPOBNHOKPWUHE-KRWDZBQOSA-N 317.389 1.316 30 50 DDEA CC(C)[C@@H](Oc1ccccc1C#N)/C(O)=N/[C@@H](CO)C(=N)O 328591939 FZFZAIAKCYROML-WCQYABFASA-N 305.334 1.814 30 50 DDEA CO[C@H]1CN(/C(O)=N/CCc2cc(F)ccc2F)C[C@H]1OC 331103308 HHALTLJTXDDOCE-OKILXGFUSA-N 314.332 1.767 30 50 DDEA CCCN(CC(=O)O)S(=O)(=O)c1ccc(C#N)c(F)c1 263049543 FUNROKJTGAWJOO-UHFFFAOYSA-N 300.311 1.183 30 50 DDEA O=[S@+]1(O)C[C@@H]2NC(=S)N(CCc3ccc(F)cc3)[C@H]2C1 334158023 IFJNLXACGOTQBO-RYUDHWBXSA-P 315.415 1.282 30 50 DDEA COc1ccc(NN=C(C(=O)N2CCCC2)C(N)=S)cc1 254741265 LRCWUDPNVBEKAJ-UHFFFAOYSA-N 306.391 1.372 30 50 DDEA CC(C)c1ccc(C#N)c(N2CCN(CCCCO)CC2)n1 670442519 WAPBZDHKUXECMS-UHFFFAOYSA-N 302.422 1.971 30 50 DDEA N#C[C@H]1CNC[C@H]1NC(=O)c1c(C(F)F)nc2ccccn12 876802605 RCAPPCJVRMPKDH-DTWKUNHWSA-N 305.288 1.113 30 50 DDEA CN(C(=O)[C@H]1CO1)C1CCN(c2ncnc3ccccc23)CC1 1875372882 OOVLUYVKLWFTEV-OAHLLOKOSA-N 312.373 1.456 30 50 DDEA N#Cc1cccnc1N1CC[C@H](NC(=O)c2ccccc2)[C@@H](O)C1 1051604405 FXSPKUNGBALMBI-HOTGVXAUSA-N 322.368 1.323 30 50 DDEA CO[C@@H]1C[C@H](N(C)S(=O)(=O)c2cncc(C#N)c2)C12CCC2 576550983 LELRAQAPBWPOLY-UONOGXRCSA-N 321.402 1.531 30 50 DDEA CC/N=C(/O)N1CCC(NC[C@H]2CCc3nccn3C2)CC1 328624521 CLIWDGPKLWRWOC-CYBMUJFWSA-N 305.426 1.433 30 50 DDEA C[C@@H]1OCC[C@@H]1/C(O)=N/[C@@H]1CCCN(c2nccn(C)c2=O)C1 328628463 HHBCGNQOKAWGLS-XQQFMLRXSA-N 320.393 1.131 30 50 DDEA C[C@@H]1Cc2cc(S(=O)(=O)Nc3nn(C)cc3C#N)ccc2O1 123379264 IZZBLDZPQXTARW-SECBINFHSA-N 318.358 1.416 30 50 DDEA Cc1cccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)O)c1C#N 905189528 MOTLXBRSWFWZBA-LBPRGKRZSA-N 322.386 1.885 30 50 DDEA C=C(C)COc1cccc(C(=O)NCCCc2nnn[nH]2)c1 55401293 IERJJQBDWGCDQM-UHFFFAOYSA-N 301.350 1.517 30 50 DDEA CN1CCN(Cc2ccc(C#CC(C)(C)O)s2)C[C@H]1CCO 39430388 BMZSSCYIDVUSNE-CQSZACIVSA-N 322.474 1.369 30 50 DDEA C=CC[C@@H](NS(=O)(=O)c1ccc(C(F)F)cc1)C(=O)O 287204968 MDCPWSZYOJEOPG-SNVBAGLBSA-N 305.302 1.932 30 50 DDEA OCC#Cc1csc(CN2CCC[C@@H](c3nc[nH]n3)C2)c1 828644641 QGSYMARHTLXYGS-CYBMUJFWSA-N 302.403 1.590 30 50 DDEA CC(=O)N1CCO[C@@H]2CCN(c3ccc(F)cc3C#N)C[C@@H]21 886031143 VQPUZZBWGUVCMK-JKSUJKDBSA-N 303.337 1.523 30 50 DDEA C=CCc1cc(C(=O)Nc2cnnn2C)cc(OC)c1OC 752949486 JLDJCQYPNSRGRJ-UHFFFAOYSA-N 302.334 1.813 30 50 DDEA CN(C[C@@H](C#N)CCC#N)C[C@@H]1C[C@H](F)CN1c1ccncn1 275534029 DAHOKQXROISVEJ-ILXRZTDVSA-N 316.384 1.769 30 50 DDEA N#Cc1cc2cccnc2nc1N1CCO[C@@H]([C@H]2CCCO2)C1 596157515 WUNJRLMDBJVXBV-HUUCEWRRSA-N 310.357 1.886 30 50 DDEA Cc1cc2c(cc1Br)NC(=O)/C2=N/NC(N)=S 5730420 MWKWYIXYEMQNOU-UHFFFAOYSA-N 313.180 1.247 30 50 DDEA C=C(C)Cn1c(NCCCCCC)nc2c1c(=O)[nH]c(=O)n2C 12419735 FMLNEEZVEYTWQT-UHFFFAOYSA-N 319.409 1.992 30 50 DDEA C[C@H](C#N)N(C(=O)Cc1ccn(CC(F)(F)F)n1)C1CC1 899294691 FBPLOUORHLVPEC-SECBINFHSA-N 300.284 1.891 30 50 DDEA OC[C@@H]1CN(C(O)=Nc2ccn3ccnc3c2)CCC1(F)F 329612912 KEFQAHOBLFBOOH-JTQLQIEISA-N 310.304 1.829 30 50 DDEA CN(Cc1nc(O)c2ccccc2n1)C(=O)c1cc(C#N)c[nH]1 426380158 SVHREQKVSHYIFA-UHFFFAOYSA-N 307.313 1.807 30 50 DDEA N#Cc1c(F)cccc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 299739108 KOPONFSQSDJALD-SNVBAGLBSA-N 314.324 1.229 30 50 DDEA C#CCCC1(CCC(=O)N2CCC3(CC2)CNC(=O)N3C)N=N1 952882592 VZUOBWYIRPXOBB-UHFFFAOYSA-N 317.393 1.358 30 50 DDEA Cc1cc(N2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)n[nH]1 187221210 UJDDZUDODCNSMC-MRXNPFEDSA-N 311.389 1.445 30 50 DDEA Cc1ccc2c(c1Br)/C(=N/NC(N)=S)C(=O)N2 18066160 OSUFWUAISIZKAQ-UHFFFAOYSA-N 313.180 1.247 30 50 DDEA CC(=O)C(C(C)=O)=C(N)N1CCN(Cc2ccccc2)CC1 19773186 MJZJZJPOYZGFHF-UHFFFAOYSA-N 301.390 1.153 30 50 DDEA COc1ccc(OC)c(N/C(N)=N\c2nc(C)cc(=O)[nH]2)c1 19973638 KVUOVNMUSOTBHE-UHFFFAOYSA-N 303.322 1.154 30 50 DDEA Cc1nc([C@H]2CCn3ncnc3C2)n(-c2ccc(C#N)cc2)n1 1857681993 LKUIKULLONGTAP-ZDUSSCGKSA-N 305.345 1.769 30 50 DDEA N#Cc1ccc(OCCNC(=O)N2CCC(C(=O)O)CC2)cc1 414594847 ADDDPGSKQQOOMI-UHFFFAOYSA-N 317.345 1.443 30 50 DDEA COC[C@@](C)(C#N)NC(=O)c1ccc(CN2CCCCC2)o1 929083926 WEZAGJSCKKZNHD-MRXNPFEDSA-N 305.378 1.924 30 50 DDEA CC#CC(=O)NCC1(N(C)Cc2ccccc2)CCOCC1 831599532 JPVZHPPSGQRPKP-UHFFFAOYSA-N 300.402 1.807 30 50 DDEA CCOC(=O)[C@H](C#N)C(=O)c1ccc(N2C(=O)CCC2=O)cc1 440167 YCLDSVBXGFIRAO-GFCCVEGCSA-N 314.297 1.226 30 50 DDEA N#Cc1nc(-c2ccc(F)cc2)oc1N1C[C@@H](O)C[C@H]1C(=O)O 1857800363 OMSZOVIXVSCPIL-JQWIXIFHSA-N 317.276 1.377 30 50 DDEA COC(=O)CN(C)C(=O)c1c(C#N)ccn1Cc1ccccc1 221001061 OELMQXQWDDBVHU-UHFFFAOYSA-N 311.341 1.653 30 50 DDEA N#Cc1ncccc1N1CCC([C@@H]2CC[C@H](C(N)=O)O2)CC1 952890032 MPOHXACYBCTJHW-LSDHHAIUSA-N 300.362 1.203 30 50 DDEA N#Cc1ccc(NCCNc2nnnn2-c2ccccc2)cn1 170686826 LQBQVHMPNLXYSO-UHFFFAOYSA-N 306.333 1.453 30 50 DDEA C[C@H]1CCCC[C@@H]1CC(=O)NS(=O)(=O)c1cncc(C#N)c1 408489430 SKGXVKIDWOKDAX-WCQYABFASA-N 321.402 1.975 30 50 DDEA C#CCCCC(=O)Nc1ncc(S(C)(=O)=O)cc1Cl 585124783 RTEBWEJWHKRXED-UHFFFAOYSA-N 300.767 1.881 30 50 DDEA Cc1noc([C@H]2CN(Cc3ccc(C#N)c(F)c3)CCN2C)n1 332326006 OHHKHDOWXDKRPK-OAHLLOKOSA-N 315.352 1.878 30 50 DDEA C#CCCC1(CCC(=O)NCc2nnc(O)n2C2CC2)N=N1 2325886271 AYSQZQKSNHPIIL-UHFFFAOYSA-N 302.338 1.291 30 50 DDEA C=CCn1nnnc1SCC(=O)Nc1ccc(C(C)=O)cc1 8020420 OYILLPHQURSSHT-UHFFFAOYSA-N 317.374 1.793 30 50 DDEA CC(O)=Nc1ccn([C@@H]2CCN(C(=O)C3(O)CCCCC3)C2)n1 328611211 KQMXYKVWVFFYOI-CYBMUJFWSA-N 320.393 1.960 30 50 DDEA O=S(=O)([C@@H]1CCOC1)N1CCC[C@@H](/C(O)=N/CC2CC2)C1 329586812 WYTVSNDYKLPIJW-CHWSQXEVSA-N 316.423 1.184 30 50 DDEA N#Cc1ccccc1OCC(=O)N[C@@H]1CCN(c2cccnc2)C1 370807329 BTAHYWIGRXGGGO-OAHLLOKOSA-N 322.368 1.727 30 50 DDEA COC(=O)[C@H]1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2O1 606241690 XVAVBWTVGGULEX-CQSZACIVSA-N 318.178 1.852 30 50 DDEA Cn1c(Cl)cc(=O)n(CCCOc2cccc(C#N)c2)c1=O 1875279637 DQCDRZLFQXLTDS-UHFFFAOYSA-N 319.748 1.541 30 50 DDEA CCCCCCCC(=O)NCCc1nnc2n1CCNC2=O 1332006517 GNPQRWIYSAWLKL-UHFFFAOYSA-N 307.398 1.041 30 50 DDEA COC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238257 ZRGWTWCWGOUPPF-UHFFFAOYSA-N 301.327 1.574 30 50 DDEA O=S1(=O)CCCC[C@@H]1C/N=C(/O)N1CCCC[C@@H]1CCO 329763245 UGXQWWORSGEAPJ-CHWSQXEVSA-N 318.439 1.105 30 50 DDEA N#Cc1cccc(/C=c2/s/c(=C\C(=O)c3ccco3)nc2O)n1 2325854559 KCSICGOSBDPTKO-GOBHWCIESA-N 323.333 1.201 30 50 DDEA CC(=O)N1C[C@@H](O)C[C@@H]1/C(O)=N/CCO[C@@H]1CCCC[C@@H]1C 328588840 XBEOSKDFZWAJIZ-SPWCGHHHSA-N 312.410 1.520 30 50 DDEA O=S1(=O)CCC[C@H](/N=C(/O)Cn2cc3ccccc3n2)C1 330064762 CORMMJWASFBEAI-LBPRGKRZSA-N 307.375 1.570 30 50 DDEA C[C@@H](C1CC1)N(C)S(=O)(=O)NC(=O)c1ccc(C#N)cc1 1875324383 WOSSXFGRXWIYSO-JTQLQIEISA-N 307.375 1.263 30 50 DDEA CCO[C@@H]1C[C@@H](/N=C(/NC)NCc2ccco2)[C@@]12CCCO2 170595108 XGCLMUZMAUXQLK-FMKPAKJESA-N 307.394 1.671 30 50 DDEA C#CC(C)(C)N1CCN(S(=O)(=O)N(C)C2CCCC2)CC1 1615552940 YXKONMOCLMAFPL-UHFFFAOYSA-N 313.467 1.135 30 50 DDEA CC1(C)OB(c2cnn(CCN3CCCCC3)c2)OC1(C)C 202013957 CUDGRVPQYNPZOL-UHFFFAOYSA-N 305.231 1.668 30 50 DDEA NS(=O)(=O)c1ccc(C/N=C(/S)NC2CCCC2)cc1 13496794 DRTGGLNVJKXYOC-UHFFFAOYSA-N 313.448 1.652 30 50 DDEA CCN(CCC#N)C(=O)C(=O)Nc1ncc([C@@H]2CCOC2)s1 2325813460 DAMPTRJSQUJJFZ-SNVBAGLBSA-N 322.390 1.348 30 50 DDEA C#CCCC1(CCNC(=O)[C@H]2CN(C)C(=O)c3ccccc32)N=N1 2325890927 DFKMYWQEVMZDQB-HNNXBMFYSA-N 324.384 1.938 30 50 DDEA Cn1cc(CN[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1C#N 364585264 YPSIZSXVQWYCJR-INIZCTEOSA-N 308.385 1.787 30 50 DDEA Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)c3cccnc3)C2)n1 376454416 KUNQIXMYHPTWAK-ZDUSSCGKSA-N 308.345 1.378 30 50 DDEA O=C([C@H]1CO1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1 1875373145 VBLRYOFPWPVNJS-CHWSQXEVSA-N 317.320 1.862 30 50 DDEA C#CCCC1(CCC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)N=N1 952881190 LLUNCCGMDORWQA-KBPBESRZSA-N 305.378 1.749 30 50 DDEA CN1CCN(C(=O)c2cccc(C#N)c2)C[C@H]1c1nccn1C 276767481 TWVBVFKVSKPKDN-HNNXBMFYSA-N 309.373 1.421 30 50 DDEA N/C(=N/OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 18275905 ACPPMIIJWUHOOW-UHFFFAOYSA-N 322.302 1.016 30 50 DDEA CC(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(O)cc1 19790202 WCZRDVJQELOLHU-CQSZACIVSA-N 304.346 1.238 30 50 DDEA N#Cc1ccc(F)c(CN2CCC[C@H]2c2nc(C(N)=O)no2)c1 328637212 OLGJMUQIVIKUNH-LBPRGKRZSA-N 315.308 1.516 30 50 DDEA C=C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)CC)cnc1O 935699242 XJLTUHHQYUJJAP-NSHDSACASA-N 324.402 1.762 30 50 DDEA CNC(=O)CCOc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1 352400607 ROFRCKCEPAIFNL-UHFFFAOYSA-N 312.329 1.654 30 50 DDEA N#C[C@@H](C(=O)CSc1ccncc1)C(=O)Nc1ccccn1 126425685 COSSBQQPTHOSIT-LBPRGKRZSA-N 312.354 1.916 30 50 DDEA CN(C/C(O)=N/Cc1ccncn1)S(=O)(=O)c1ccccc1 328591807 NYLFTDGJTSINGC-UHFFFAOYSA-N 320.374 1.254 30 50 DDEA Cc1cccc(N=C(O)N2CCO[C@H](CN(C)CC3CC3)C2)n1 328627441 GDQDIEMJXPXDKO-OAHLLOKOSA-N 318.421 1.978 30 50 DDEA Cc1nc(N[C@H]2CCCN(c3ccn(C)n3)C2=O)ccc1C#N 330183041 PMCUDHKIHUEGRD-ZDUSSCGKSA-N 310.361 1.603 30 50 DDEA Cc1cc(C#N)nc(N2CCNC(=O)[C@@H]2CC2CCCCC2)n1 333839589 KWAJLTSJACGABO-HNNXBMFYSA-N 313.405 1.932 30 50 DDEA N#Cc1c[nH]c(C(=O)N2CCC(N3CCSCC3)CC2)c1 426523319 BUUMXRRMQIKZGA-UHFFFAOYSA-N 304.419 1.540 30 50 DDEA C=CC[C@]1(CO)CCCN(S(=O)(=O)c2cn(C)nc2C)C1 91713217 TYUWMIHJAYVJKJ-AWEZNQCLSA-N 313.423 1.068 30 50 DDEA N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 408505908 YXYYWAJLFSOCNL-IJLUTSLNSA-N 305.359 1.194 30 50 DDEA CN(C(=O)c1cc(F)cc(C#N)c1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704304368 QNOVPSQESTUZSY-OSAQELSMSA-N 315.348 1.684 30 50 DDEA C=CCOc1ccccc1C(=O)N1CC[C@@H](O)C[C@H]1C(=O)O 210129314 QVZJCHGEASKCDY-YPMHNXCESA-N 305.330 1.302 30 50 DDEA Cc1noc([C@@H]2CN(Cc3ccc(C#N)c(F)c3)CCN2C)n1 332326004 OHHKHDOWXDKRPK-HNNXBMFYSA-N 315.352 1.878 30 50 DDEA COCc1cc(=O)[nH]c(/N=C(\N)Nc2cccc(Cl)c2C)n1 6812753 IBTQESBGFHZRBM-UHFFFAOYSA-N 321.768 1.936 30 50 DDEA O=[S@+]1(O)C[C@H]2NC(=S)N(c3ccc(Cl)cc3)[C@H]2C1 334158068 MPQMMXVOUWFVGE-ZJUUUORDSA-P 303.816 1.758 30 50 DDEA N#C[C@@]1(c2ccccn2)CCCN(C(=O)CCc2cn[nH]c2)C1 863929637 BTDALSLPYNNHJV-KRWDZBQOSA-N 309.373 1.821 30 50 DDEA N#Cc1nc(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)ccc1Cl 952889651 FDPWZBOKNAFLNO-UFBFGSQYSA-N 304.741 1.914 30 50 DDEA COc1cccc(S(=O)(=O)NC(=O)c2cc(C#N)cn2C)c1 170656439 YMGMSWCFLFDWRH-UHFFFAOYSA-N 319.342 1.024 30 50 DDEA COC(=O)c1ccc(Br)cc1Cn1cnc(C#N)n1 225749449 NGYHWGFOYNGNNT-UHFFFAOYSA-N 321.134 1.747 30 50 DDEA COc1cc(C#N)ccc1OCC(=O)N1CC([C@@H]2CCOC2)C1 377070184 YZCFGVZICBTGNS-CYBMUJFWSA-N 316.357 1.441 30 50 DDEA N#Cc1ccc(C(=O)NS(=O)(=O)/C=C/c2ccccc2)cn1 115900743 UTMUMUIREGJAKQ-CMDGGOBGSA-N 313.338 1.684 30 50 DDEA C=CCN1C(=O)/C(=C/c2cc3ccccc3[nH]2)C(=O)NC1=S 100332135 QNKGKSBKVJLBGA-FMIVXFBMSA-N 311.366 1.981 30 50 DDEA O/C(=N/[C@@H]1CCOC2(CCC2)C1)c1cn([C@@H]2CCOC2)nn1 330076717 HBBWLEOCTFEECV-VXGBXAGGSA-N 306.366 1.646 30 50 DDEA CC(=O)N1CCC(/N=C(/O)N2CCC[C@H](OCC3CC3)C2)CC1 330215731 MRMJGCASICYWNE-INIZCTEOSA-N 323.437 1.802 30 50 DDEA C#CCNc1c(F)cc(C(=O)N2CC(N3CCCC3)C2)cc1F 1875388293 VEKPWGHCMBKRAQ-UHFFFAOYSA-N 319.355 1.930 30 50 DDEA C=CC[C@@H]1N(C(=O)Cn2ccc(O)nc2=O)CCCC1(C)C 278284047 AQJKGJFHXCCNIJ-LBPRGKRZSA-N 305.378 1.542 30 50 DDEA N#Cc1nnn(Cc2ccccc2)c1NC(=O)COCC1CC1 585125442 SMAROFPHTCRDNJ-UHFFFAOYSA-N 311.345 1.563 30 50 DDEA N#Cc1cc(N2CCC[C@@H](CC(N)=O)CC2)cc(N)c1[N+](=O)[O-] 585784452 YMPRDJTWVJCQGA-SNVBAGLBSA-N 317.349 1.531 30 50 DDEA C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cnccc1C#N 332401824 UFIWYXBDYBDKHL-CYBMUJFWSA-N 314.389 1.279 30 50 DDEA CCc1nnc2n1CCN(C1CN(Cc3cccc(C#N)c3)C1)C2 328628237 HATSPYJTFHQZJM-UHFFFAOYSA-N 322.416 1.412 30 50 DDEA COCCN1CN(C(O)=Nc2c(C)cc(C)nc2C)CC1=O 331349022 XMBDCDISRQRANU-UHFFFAOYSA-N 306.366 1.300 30 50 DDEA CN(CCC#N)C(=O)C(=O)Nc1cc(C(F)(F)F)ccn1 283347737 RUYISCSYUOAFEX-UHFFFAOYSA-N 300.240 1.411 30 50 DDEA CC(C)CCN(CCC#N)C(=O)CN1CCCC[C@H](O)C1=O 591703307 NCGFWZWWGNSKFP-AWEZNQCLSA-N 309.410 1.148 30 50 DDEA C#CCCC1(CCNC(=O)[C@]2(N)COc3ccccc3C2)N=N1 2325901031 QXJDARAIUXRVEV-MRXNPFEDSA-N 312.373 1.401 30 50 DDEA C=CCn1nnnc1SCC(=O)Nc1cccc(OC)c1 1124062 QROZNERANLIGGN-UHFFFAOYSA-N 305.363 1.599 30 50 DDEA Cc1cc(C)nc(N=C(O)N2CCc3c(ncn(C)c3=O)C2)c1 328646173 ZZNSPUDIGMGVPP-UHFFFAOYSA-N 313.361 1.396 30 50 DDEA CC(C)N1C[C@@H](/N=C(/O)[C@@H]2CCO[C@H]2c2ccnn2C)CC1=O 328633067 SIZGMFWASILIJZ-YWPYICTPSA-N 320.393 1.464 30 50 DDEA Cc1ocnc1C/N=C(/O)N1CCC[C@@H](CS(C)(=O)=O)C1 330307913 SLCXOXSKTIPUES-LLVKDONJSA-N 315.395 1.154 30 50 DDEA CC(C)[C@@H]1N(c2c(C#N)c(=O)n(C)c(=O)n2C)CC12CCCC2 328599464 SFTOOIIKKBJRDV-ZDUSSCGKSA-N 316.405 1.361 30 50 DDEA CN1CCN(C(O)=Nc2ccc(F)cn2)C[C@H]1c1ncc[nH]1 328627982 NGNOEYYSEYQEPR-NSHDSACASA-N 304.329 1.478 30 50 DDEA N#Cc1nccnc1N1CCN(Cc2cn3ccccc3n2)CC1 253392871 HRLRKFJLGFKPDI-UHFFFAOYSA-N 319.372 1.318 30 50 DDEA [O-][n+]1cccc(C(Cl)=NOC[C@H](O)CN2CCCCC2)c1 252516369 SGEIEGAXKLMUIZ-CYBMUJFWSA-N 313.785 1.084 30 50 DDEA investigational CNC(=O)[C@]12CCOC[C@@H]1CN(c1ncc(C#N)cc1Cl)C2 952852368 BTDYRKVGUUMWSJ-NHYWBVRUSA-N 320.780 1.196 30 50 DDEA COC[C@@H]1CN(c2nccc(C)c2C#N)C[C@H]1c1cnn(C)c1 585655494 RGWVGCMYQDPKCK-HOCLYGCPSA-N 311.389 1.862 30 50 DDEA CCn1cnnc1[C@H]1CN(c2ncc(C#N)cc2Cl)CCO1 328628383 NSHZYPWZZPHAOG-GFCCVEGCSA-N 318.768 1.796 30 50 DDEA CC(C)(C)C#CC(=O)N1CCCC[C@H]1c1n[nH]cc1C(N)=O 685942726 UNYQYFKDBBDZBK-LBPRGKRZSA-N 302.378 1.612 30 50 DDEA C#CCCC1(CCC(=O)N2CCC(Cn3cnnc3)CC2)N=N1 952880246 DTJJXUIBIGYVNQ-UHFFFAOYSA-N 314.393 1.872 30 50 DDEA N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[C@H]32)c(NCCO)c1 1615046650 WQOLBPDOLJRQCW-GXTWGEPZSA-N 321.402 1.135 30 50 DDEA C#CCCC1(CCNC(=O)C2(Oc3ccccc3)CNC2)N=N1 2325900555 ABHOVGZTABSIIU-UHFFFAOYSA-N 312.373 1.489 30 50 DDEA C=C(C)COc1ccccc1C(=O)N1CC[C@H](NC(C)=O)C1 55325762 YNCLPOSDHHVFON-AWEZNQCLSA-N 302.374 1.992 30 50 DDEA C=CCN1C(=O)C[C@@H](Nc2ccc(N3CCOCC3)cc2)C1=O 100790230 OUMKZPVULGNOCQ-OAHLLOKOSA-N 315.373 1.249 30 50 DDEA C[C@H]1CNC(=O)CCN1Cc1ccc(C#CC(C)(C)O)cc1 65385535 NJLLABBMATZNCX-AWEZNQCLSA-N 300.402 1.519 30 50 DDEA C=CCOc1cccc(C(=O)N2CC[C@@H](N(C)C(C)=O)C2)c1 20202825 OZSSRGOAOPFJBN-OAHLLOKOSA-N 302.374 1.944 30 50 DDEA CN1CCN(c2ncccc2C#N)C[C@H]1c1nc(C2CC2)no1 284450835 GNVIZBPDPXIRDW-ZDUSSCGKSA-N 310.361 1.707 30 50 DDEA N#CCOc1cccc(CC(=O)N2CC(F)(F)C[C@H]2CO)c1 372553364 MUNINAJVNLOHRT-LBPRGKRZSA-N 310.300 1.360 30 50 DDEA COc1cc(CN[C@H]2CCN(c3cnn(C)c3)C2)ccc1C#N 374135742 FEQIREAWVDUKLE-HNNXBMFYSA-N 311.389 1.669 30 50 DDEA CCn1cc(-c2c(C#N)c(N)nc3c2C[C@H](N)CC3)cc1C#N 71746239 XILIXGCDYXKREL-LLVKDONJSA-N 306.373 1.712 30 50 DDEA COc1cc(CO/N=C\c2cc[n+]([O-])cc2)cc(OC)c1OC 43761435 UIXBTXTWTRIMDD-YVLHZVERSA-N 318.329 1.897 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@H](n3cncn3)C2)N=N1 952882223 SPNOSDPVYNNKCC-ZDUSSCGKSA-N 300.366 1.797 30 50 DDEA C#CCOCCOC(=O)NCc1c(OC)nsc1OC 1776006351 VCDXZGCQXCRAEU-UHFFFAOYSA-N 300.336 1.036 30 50 DDEA C[C@H](C#N)CN(C)c1ncc([N+](=O)[O-])c(N(C)C[C@@H](C)C#N)n1 585092635 HLNRMAYRLKWHKO-WDEREUQCSA-N 317.353 1.577 30 50 DDEA Cn1cnc2c(c1=O)CCN(/C(O)=N/C1Cc3ccccc3C1)C2 328622221 IGXSCCFRPCRQQG-UHFFFAOYSA-N 324.384 1.220 30 50 DDEA C#CCCC1(CCNC(=O)c2cnn([C@H]3CCCNC3)c2)N=N1 2325900587 BAMSYRUOWHRNHZ-AWEZNQCLSA-N 314.393 1.503 30 50 DDEA C=CCOc1ccc(Cl)cc1C=C1C(=O)NC(=O)NC1=O 2901490 FPWCOZBNVVMBJO-UHFFFAOYSA-N 306.705 1.654 30 50 DDEA C#CCOc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O 2937507 JOMAMMQICMOQEG-UHFFFAOYSA-N 320.757 1.266 30 50 DDEA O=S1(=O)CCO[C@H](C/N=C(/O)[C@H](c2ccccc2)C2CC2)C1 329054934 HWPAOTNUURATHP-HUUCEWRRSA-N 323.414 1.950 30 50 DDEA Cc1nsc(N2CCN(Cc3ccn(C)n3)CC2)c1C#N 289411468 GZHNUSQOIALFTF-UHFFFAOYSA-N 302.407 1.379 30 50 DDEA Cc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CO3)CC2)cc1Cl 1875372570 IODDPUFBCWHCIH-CYBMUJFWSA-N 323.780 1.723 30 50 DDEA CN(Cc1ncccn1)[C@@H]1CCN(C(=O)c2cccc(C#N)c2)C1 276013192 QGRXCKQEBKBOEW-MRXNPFEDSA-N 321.384 1.695 30 50 DDEA CC(C)n1cc([C@]2(O)CCCN(c3ccnc(C#N)c3)C2)nn1 583615209 SVZQVDVFLIYMEM-INIZCTEOSA-N 312.377 1.614 30 50 DDEA N#Cc1c(Cl)nsc1N1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@H]21 585092078 DINMNISIJPFUSX-YVKQXRNHSA-N 323.805 1.233 30 50 DDEA C=CCn1cc(CN2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)c(C)n1 1529178111 IXNZDLSCBKJTKR-RHSMWYFYSA-N 315.421 1.444 30 50 DDEA CNc1cc(N2CCC[C@@H]2CNc2cncc(C#N)n2)ncn1 420602844 ORBNHIZPCVPFRM-GFCCVEGCSA-N 310.365 1.261 30 50 DDEA Cn1cc([C@H]2OCCC[C@@H]2NC(=O)c2ccc(C#N)cn2)cn1 328587689 FFTTVFBVHBDREX-DZGCQCFKSA-N 311.345 1.337 30 50 DDEA C#CCCC1(CCC(=O)N2CC[C@@H](c3nccc(O)n3)C2)N=N1 2325892878 NNDFGTHTHHGEBW-GFCCVEGCSA-N 313.361 1.854 30 50 DDEA COc1cc2nc(N3CCC(C#N)CC3)nc(N)c2cc1OC 110383089 CAHPHBWEQKFIGE-UHFFFAOYSA-N 313.361 1.969 30 50 DDEA CN(CC(=N)O)C[C@H]1CN(Cc2ccc(F)c(C#N)c2)CCO1 328586550 DCAHWBDOOZMXTA-AWEZNQCLSA-N 320.368 1.365 30 50 DDEA N#Cc1ccc(C2(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)cc1 372496352 LHEQOKLPCNGKRY-QGZVFWFLSA-N 320.396 1.789 30 50 DDEA COCC[C@@]1(CO)CCCN(C(=O)c2ccccc2C#N)C1 91270203 FEPJBDVCQYRJEU-KRWDZBQOSA-N 302.374 1.809 30 50 DDEA CCn1cc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1C#N 299755136 CKCHUWZFDFIWKA-HOTGVXAUSA-N 312.377 1.317 30 50 DDEA C#CCCC1(CCNC(=O)CCn2c(C)c(C)sc2=O)N=N1 1875381378 SNFQDZNYTRWPPE-UHFFFAOYSA-N 320.418 1.999 30 50 DDEA CC(C)CN1C[C@@H](C(=O)NCc2cncc(C#N)c2)CC1=O 1363596653 WIJDKDSPUMTCMW-AWEZNQCLSA-N 300.362 1.074 30 50 DDEA CN1CCO[C@H](c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 170024296 QCXVQZXSPNSOKD-HNNXBMFYSA-N 303.211 1.989 30 50 DDEA CN([C@@](C)(C#N)C1CC1)S(=O)(=O)c1cnn(CC(F)F)c1 170620311 SMOUATUQJTXNHC-LBPRGKRZSA-N 318.349 1.461 30 50 DDEA CN(CC1CC1)C[C@@H]1CN(C(=O)c2sccc2C#N)CCO1 328647538 UAJKELOXPLVCPE-CQSZACIVSA-N 319.430 1.803 30 50 DDEA CCN1CCCN(C(=O)c2cccc(C#CC(C)(C)O)c2)CC1 584900369 XVCCNNXDNNPMNV-UHFFFAOYSA-N 314.429 1.977 30 50 DDEA CC1(C)Cc2n[nH]cc2CN(S(=O)(=O)CC2(C#N)CC2)C1 1773085937 JJIFOJFBEDGBCW-UHFFFAOYSA-N 308.407 1.428 30 50 DDEA C#CCCC1(CCC(=O)N[C@H](C(=O)O)c2cccnc2)N=N1 1615000492 ALJOSLBPKFCLLI-ZDUSSCGKSA-N 300.318 1.679 30 50 DDEA COc1cccc(/C=N/N2CCN(c3ccccn3)CC2)c1O 13563631 IIUOHBREVZKQQH-CPNJWEJPSA-N 312.373 1.952 30 50 DDEA C=C1CCC(C(=O)N2CC[C@H](n3cc(C(=O)O)nn3)C2)CC1 910111173 SMXPRRBSKBFTTL-LBPRGKRZSA-N 304.350 1.496 30 50 DDEA C[C@H](Cn1cncn1)/N=C(/O)N1CC[C@H](C2CCOCC2)C1 328722553 ABSKNWCCSNICNT-OCCSQVGLSA-N 307.398 1.329 30 50 DDEA Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@H](O)C2(CC2)C1 368750090 LZUSBDIEKCWIPL-HNNXBMFYSA-N 316.405 1.330 30 50 DDEA N#Cc1c(F)cccc1N1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1 284752347 OAZYUZGPKAKWNO-BLLLJJGKSA-N 317.364 1.804 30 50 DDEA N#Cc1cc(F)ccc1NC(=O)N1CCC[C@H](CC(N)=O)C1 161837456 NOXIFUSCDJMYJH-SNVBAGLBSA-N 304.325 1.817 30 50 DDEA N#Cc1ccnc(N2CCN(C(=O)c3ccccc3)C[C@H](O)C2)c1 97653959 MBEZBLGQHOJOCV-MRXNPFEDSA-N 322.368 1.277 30 50 DDEA CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1Nc1ccc(C#N)cn1 91664107 NOHCZESLHIKSFA-STQMWFEESA-N 308.407 1.425 30 50 DDEA CN(C)c1ncc(CN2CCCn3nc(C#N)cc3C2)s1 584893312 NHEHERCETUBJOB-UHFFFAOYSA-N 302.407 1.683 30 50 DDEA Cc1[nH]c(CN2CCC3(CC2)C(=O)N(C)C(=O)N3C)cc1C#N 670445162 SRUYVFQTCXQGFI-UHFFFAOYSA-N 315.377 1.053 30 50 DDEA C[C@H]1CN(CCCNC(=O)c2ccc(F)c(C#N)c2)C[C@H](C)O1 278768270 WWFMGTFCRSAGKT-STQMWFEESA-N 319.380 1.926 30 50 DDEA CC[C@@H]1CC[C@H](C(=O)O)N1S(=O)(=O)c1ccccc1C#N 592447425 GYZMFFQCXWMWAF-VXGBXAGGSA-N 308.359 1.575 30 50 DDEA O=C1C(Br)=C[C@H]2[C@H]1[C@H]1C=C[C@]2(Br)C1=O 4086939 QPIIZGUQJCFMDJ-GQTRHBFLSA-N 317.964 1.983 30 50 DDEA O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(O)cc1O 100175829 OTACDJQEZJJVOX-KSYKWLPYSA-N 312.325 1.629 30 50 DDEA CC(O)=Nc1ccn([C@@H]2CCN(Cc3nnnn3C(C)C)C2)n1 328629851 PFTGXWFMOVUAGU-GFCCVEGCSA-N 318.385 1.505 30 50 DDEA C[C@@H]1CC(=O)NCCN1C(=O)/C=C/c1ccc(OCC#N)cc1 366644317 QQENQLPUMGOCTH-WXJAXGNASA-N 313.357 1.339 30 50 DDEA C#CCCC1(CCC(=O)NCc2cn(C3CCC3)nn2)N=N1 1875366971 YRTPINUTZXUTDR-UHFFFAOYSA-N 300.366 1.975 30 50 DDEA C#CCCCS(=O)(=O)NC(=O)C[C@@H](C)n1nc(C)cc1C 1775985057 LDVSCTXIOXVKIN-CYBMUJFWSA-N 311.407 1.310 30 50 DDEA CC1(C)OB(c2cccc(CN3CCC[C@H](O)C3)c2)OC1(C)C 306252988 JADCBUXFXORHTH-INIZCTEOSA-N 317.238 1.943 30 50 DDEA Cc1cc(N2CCO[C@@H](C)C2)nc(N2CCO[C@@H](C)C2)c1C#N 195531007 RFBQSOAHCBWCNW-KBPBESRZSA-N 316.405 1.712 30 50 DDEA N=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N[N+](=O)[O-] 16399953 RODAAYVFYDKHGT-AUWJEWJLSA-N 318.249 1.494 30 50 DDEA in-vitro CNC(=O)C[C@@]1(O)CCCN(c2c(C#N)cnc3ccccc23)C1 591619468 CPKCHJYGIRTIOX-SFHVURJKSA-N 324.384 1.574 30 50 DDEA C=C(C)CN(CC)C(=O)c1cc(CN2CCC(O)CC2)on1 67587262 BRXKXHDILJURDR-UHFFFAOYSA-N 307.394 1.670 30 50 DDEA CO/C(O)=N/C1(C(=O)N2CCC[C@](F)(CO)C2)CCCC1 328592994 ZSWFIBLIUFWNKR-CYBMUJFWSA-N 302.346 1.183 30 50 DDEA Cc1ccncc1N=C(O)N1CCN(C)[C@@H](c2nccn2C)C1 328629522 OWOHSQBNDIUTDM-CQSZACIVSA-N 314.393 1.658 30 50 DDEA Cc1nc(C#N)c(C#N)n1Cc1cc(=O)n2c(C)cccc2n1 155311143 RJFNPZXKWCQZMV-UHFFFAOYSA-N 304.313 1.300 30 50 DDEA C[C@H]1OCCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 283729374 FGVACSPVJKAIAI-CJNGLKHVSA-N 314.389 1.417 30 50 DDEA Cc1noc([C@@H]2CN(C(=O)c3cc(C#N)oc3C)CCN2C)n1 284827997 KCZRYCDFRPATJJ-ZDUSSCGKSA-N 315.333 1.280 30 50 DDEA CC(=O)N1CCCn2nc(CNc3nc(C)ccc3C#N)cc2C1 82157653 VOEAUDJRUVCFFJ-UHFFFAOYSA-N 324.388 1.823 30 50 DDEA N#Cc1cccc(NS(=O)(=O)c2ccc3nonc3c2)c1N 1875336360 XZXSIKZTOQHTQC-UHFFFAOYSA-N 315.314 1.477 30 50 DDEA COc1ccccc1[C@H](C#N)NC(=O)c1cccc2nn[nH]c12 170603072 PZGVFXUVLADVAT-ZDUSSCGKSA-N 307.313 1.961 30 50 DDEA CCOCCN1CCN(c2nc(C)cc(C#N)n2)C[C@H]1CC 281209978 QEJAKYGBWAVWIY-OAHLLOKOSA-N 303.410 1.594 30 50 DDEA CN(Cc1cccnc1)C[C@H]1CCN(C(=O)C(C)(C)C#N)C1 190602600 NEVDREIYRBPSEP-OAHLLOKOSA-N 300.406 1.912 30 50 DDEA C=CCN(Cc1cccc(OC)c1)C(=O)C1(O)CCN(C)CC1 1506419941 MTCIWSMFMXCLNK-UHFFFAOYSA-N 318.417 1.667 30 50 DDEA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cc(C#N)c[nH]3)CC2)O1 1857701841 RDRAYVWQHYGUKE-KGLIPLIRSA-N 317.389 1.811 30 50 DDEA CCc1nc(SCC(=O)NC2CCCCC2)[nH]c(=O)c1C#N 5238903 GWDFADQMLWWFHT-UHFFFAOYSA-N 320.418 1.745 30 50 DDEA C=C(C)COc1ccccc1C(=O)NCCCc1nnn[nH]1 55282123 AWVCPUGIGHKYHG-UHFFFAOYSA-N 301.350 1.517 30 50 DDEA O=C1C=C(NCCN2CCOCC2)C[C@H](c2ccccc2)C1 100573774 SXCFQKIYOKKPIN-INIZCTEOSA-N 300.402 1.939 30 50 DDEA N#Cc1cc(F)cc(C(=O)N2CCC[C@@]3(CC2)CNC(=O)O3)c1 72138948 DAOKMBCWWMLVPM-MRXNPFEDSA-N 317.320 1.802 30 50 DDEA N#Cc1cc(F)c(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)c(F)c1 375374816 ZOIIZGAAFYYUKU-DOMZBBRYSA-N 319.311 1.623 30 50 DDEA OCC#Cc1csc(CN2CCN(C3CCOCC3)CC2)c1 828644637 PMZPUTBVLXCPLI-UHFFFAOYSA-N 320.458 1.389 30 50 DDEA COc1ccc(/C=C/C(=O)c2cnnn2C)c(OC)c1OC 585135835 DUHYPBWMQWRRAW-FNORWQNLSA-N 303.318 1.737 30 50 DDEA N#Cc1ccc(CN2CC[C@H](NC(=O)c3cccnc3)C2=O)cc1 191059747 GKGJJAIXFVEQOT-INIZCTEOSA-N 320.352 1.484 30 50 DDEA C=CCc1cc(C(=O)N2CC[C@@](O)(CO)C2)cc(OC)c1OC 1615606151 SZDGHYVNAKWHCZ-KRWDZBQOSA-N 321.373 1.002 30 50 DDEA Oc1ccc(/C=N/n2c(S)nnc2-c2ccccn2)c(O)c1 6062864 TWPJMKDALLYOOB-LZYBPNLTSA-N 313.342 1.922 30 50 DDEA N#CCN1CCN(CC(=O)c2ccc(Br)cc2)CC1 19955253 LJFLJZRVPBOBFV-UHFFFAOYSA-N 322.206 1.773 30 50 DDEA COCCn1nc(C(=O)N2CC(C#N)C2)c2c1[C@H](C)O[C@H](C)C2 1857527597 SJKNFNRYWHDNSB-MNOVXSKESA-N 318.377 1.147 30 50 DDEA Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CN 227926095 PFWKXLGHZLKOSK-RISCZKNCSA-N 307.419 1.615 30 50 DDEA COc1ccc(/C(O)=N/S(=O)(=O)c2ccc(N)cc2)cc1 71770852 OGSNJWKDRUNDJK-UHFFFAOYSA-N 306.343 1.971 30 50 DDEA O/C(=N/C[C@@H]1C[C@H](F)CN1c1cccnn1)c1cnns1 328630209 JEKNVQKMPJQKBG-IUCAKERBSA-N 308.342 1.250 30 50 DDEA Cn1ccnc1[C@H]1OCC[C@@H]1N/C(O)=N/C[C@@H]1CCCS1 328626546 LVNDGSPREKAVFO-SRVKXCTJSA-N 310.423 1.649 30 50 DDEA Cn1ccc(NC(=O)CN2CCC(C#N)(c3ccccc3)CC2)n1 252478809 AVIVHFBUDXGPIY-UHFFFAOYSA-N 323.400 1.916 30 50 DDEA C#CCCC1(CCC(=O)N2C[C@@H](CC(N)=O)OC(C)(C)C2)N=N1 1875381763 HGMVVFBXSLKEBW-GFCCVEGCSA-N 320.393 1.224 30 50 DDEA CN1CCO[C@@H](CN(CC2CC2)C(=O)c2cccc(C#N)c2)C1 276160507 ATMZGQDCSKWRFE-QGZVFWFLSA-N 313.401 1.741 30 50 DDEA C[C@H](C(=O)O/N=C(\N)c1ccccn1)c1ccc([N+](=O)[O-])cc1 6175490 BUVBCAJUMFRBIK-JTQLQIEISA-N 314.301 1.957 30 50 DDEA Cc1ccc(/C=C/C(=O)c2c(O)n(C)c(=O)n(C)c2=O)cc1C 821012683 NCDIPRQIPVTDRR-BQYQJAHWSA-N 314.341 1.303 30 50 DDEA C#CCOC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 2472542 GEKARYANSHOJQP-UHFFFAOYSA-N 307.371 1.651 30 50 DDEA C=CC(=O)N1CCC(/C(O)=N/CCCN2CCOCC2)CC1 328598321 LHIBYLNWZGVBOC-UHFFFAOYSA-N 309.410 1.090 30 50 DDEA C=C/C(O)=N/CC1CCN(S(=O)(=O)C(F)(F)F)CC1 328600762 ZPANYTYYYJJKOL-UHFFFAOYSA-N 300.302 1.691 30 50 DDEA OCc1cn([C@@H]2CCCC[C@@H]2/N=C(/O)Nc2ccccn2)nn1 328604335 JJKLEFKKCMIAHX-QWHCGFSZSA-N 316.365 1.675 30 50 DDEA N#Cc1cc(N[C@@H]2C[C@@H](O)C23CCOCC3)nc(C2CC2)n1 685942168 GPRXHAJMLQASFX-CHWSQXEVSA-N 300.362 1.568 30 50 DDEA Cn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1Cc1ccc(C#N)o1 1875398846 GVZQKHSRDANDSK-ZIAGYGMSSA-N 313.361 1.959 30 50 DDEA C#CCCC1(CCC(=O)NC[C@@H](C)N2CCN(C)CC2)N=N1 952881428 LUAADYNQWSLLSV-CQSZACIVSA-N 305.426 1.094 30 50 DDEA N=C(N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)N[N+](=O)[O-] 16662386 GKJHPPGDMROSDM-AUWJEWJLSA-N 318.249 1.494 30 50 DDEA C=CCN(CC(=O)O)S(=O)(=O)c1ccnn1C1CCCC1 2325772389 MCZIXODITYCZFD-UHFFFAOYSA-N 313.379 1.260 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H](C)c2nc([C@H](C)O)n[nH]2)N=N1 2325894969 CLLLLXHNQIKXGU-UWVGGRQHSA-N 304.354 1.391 30 50 DDEA C#CCCC1(CCC(=O)N2C[C@@]34CCC[C@@]3(CNC4)C2)N=N1 2325900697 GFPQBZSMYNXMMG-IYBDPMFKSA-N 300.406 1.944 30 50 DDEA C#CCCC1(CCNC(=O)[C@@]2(COC)CCCNCC2)N=N1 2325901239 ZEFLBESVDBDSTN-HNNXBMFYSA-N 306.410 1.475 30 50 DDEA C[C@@H](C#N)CN(C)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 229318811 ZNSLTRBNRRBZKB-HUBLWGQQSA-N 312.435 1.803 30 50 DDEA C=CCNC(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71707744 ROBLCKXNXZNYMO-CYBMUJFWSA-N 317.389 1.278 30 50 DDEA CCOC(=O)[C@@H](F)N1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O 253425958 KAYAPVVNJIGAQI-XHDPSFHLSA-N 319.292 1.184 30 50 DDEA COc1cc(CNC(=O)N2C[C@@H](F)C[C@H]2CO)ccc1C#N 360634439 OVNDZJRMLLVSQS-STQMWFEESA-N 307.325 1.181 30 50 DDEA O/C(=N/[C@H]1CCOC2(CCOCC2)C1)N1CCC(F)(F)C1 329508034 WYIFJZOLWBUHNH-NSHDSACASA-N 304.337 1.970 30 50 DDEA N#Cc1c(N)nc2c(c1-c1c[nH]cn1)CCc1occ(C(=O)O)c1-2 71404015 DLHQNRVBQWPXAE-UHFFFAOYSA-N 321.296 1.982 30 50 DDEA 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317.364 1.915 30 50 DDEA Cc1nn(C)c(C)c1N=C(O)Nc1ccn(CC(F)(F)F)n1 331103319 HIFMDHRQUIZUSJ-UHFFFAOYSA-N 316.287 2.453 30 50 DDEA CCOC(=O)[C@@H]1CCCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 155947404 WRCARBYSLSPLSS-CPUCHLNUSA-N 323.437 1.704 30 50 DDEA CN1CC[C@@H]2OCCN(C(=O)c3ccccc3OCC#N)[C@@H]2C1 285291361 OTWSUIAZENGPHN-ZBFHGGJFSA-N 315.373 1.134 30 50 DDEA C=C(C)COc1ccc(NC(=O)N[C@@H]2C[C@@H](CO)N(C)C2)cc1 97797362 ILLDCWAWSLSEAJ-CABCVRRESA-N 319.405 1.828 30 50 DDEA CC(C)[C@@](C)(C#N)NC(=O)CN1CCc2ccccc2[C@@H]1CO 268080031 GFOWQWLMVIVFLD-FUHWJXTLSA-N 315.417 1.633 30 50 DDEA COCCN(C)C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1CO 92004114 IFLKZPVVNIPEGA-QZTJIDSGSA-N 317.433 1.177 30 50 DDEA N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cccnc3)C2=O)cc1 191059733 GKGJJAIXFVEQOT-MRXNPFEDSA-N 320.352 1.484 30 50 DDEA C#CCN(C)S(=O)(=O)c1nc(C)c(Br)s1 192948067 IISGCHXZQDIPJP-UHFFFAOYSA-N 309.210 1.468 30 50 DDEA CC1(C)OB(c2ccc(OC3CCOCC3)nc2)OC1(C)C 169743724 KGCJDMWHIVJQGF-UHFFFAOYSA-N 305.183 1.939 30 50 DDEA Cn1cc(N=C(O)/C=C/c2ccc(N3CCOCC3)cc2)nn1 328595343 RUQYYRGMBOFXCR-QPJJXVBHSA-N 313.361 1.953 30 50 DDEA CCN1CCN(C(O)=Nc2nc(C)c(C)o2)C[C@@H]1c1ncc[nH]1 328636821 VQXHHKRNBCLOQB-GFCCVEGCSA-N 318.381 1.939 30 50 DDEA COc1nccc(N2CCC[C@@H](N3CCCC3=O)C2)c1C#N 71748688 RQDGLRFAIPDHCE-GFCCVEGCSA-N 300.362 1.553 30 50 DDEA COc1cc(/C(O)=N/C2CCS(=O)(=O)CC2)ccc1F 331057359 QJMFUZDBHMIKRM-UHFFFAOYSA-N 301.339 1.716 30 50 DDEA COc1cc2c(cc1OC)[C@H](C1CC1)N(C(=O)[C@H]1CO1)CC2 1875373192 VWFLXIHIBZFADN-CVEARBPZSA-N 303.358 1.938 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H](CC)C(=O)N2CCOCC2)N=N1 952882284 UBYJTDXBEONRCW-ZDUSSCGKSA-N 320.393 1.096 30 50 DDEA CNC(=O)c1ccn([C@H]2CCCN(c3ccc(C#N)cc3)C2)n1 275638359 NJMPYYACRJKBLT-HNNXBMFYSA-N 309.373 1.956 30 50 DDEA C=CCCCS(=O)(=O)Nc1cn(-c2cccc(OC)c2)nn1 585129675 RIEXGKBPBGKRBS-UHFFFAOYSA-N 322.390 1.984 30 50 DDEA N#Cc1ccc(F)c(CNS(=O)(=O)c2c[nH]c(C(=O)O)c2)c1 1608206237 DBOMSJCLZHYFJQ-UHFFFAOYSA-N 323.305 1.202 30 50 DDEA C[C@H]1CN(C2CC2)CCN1S(=O)(=O)CC1(C#N)CCCC1 1615057310 RSKMHJSAGSSXNB-ZDUSSCGKSA-N 311.451 1.569 30 50 DDEA N#Cc1ccc(N2CCC[C@H](NC(=O)c3cn[nH]c3)C2)c(F)c1 109304542 XUAORLZAURKCON-ZDUSSCGKSA-N 313.336 1.819 30 50 DDEA O/C(=N/[C@@H]1CCCOCC1)N1CCC(O[C@H]2CCOC2)CC1 329514889 YGXHBHJNWXBKRB-HIFRSBDPSA-N 312.410 1.739 30 50 DDEA CN(C)C(=O)C[C@@]1(O)CCCN(c2ccc(C#N)cc2F)C1 591618042 NKHSZLDCEPUDQM-INIZCTEOSA-N 305.353 1.507 30 50 DDEA C=CCn1nc(C)c(C(=O)NCCCN2CCCC2=O)c1C 20256118 VLURROBZWYAKKE-UHFFFAOYSA-N 304.394 1.428 30 50 DDEA CC(C)c1nn(C)cc1N=C(O)N(C)CC1(O)CCOCC1 331223336 DDZLIDMFFIOVPY-UHFFFAOYSA-N 310.398 1.562 30 50 DDEA Cc1noc([C@@H]2CCCN(/C(O)=N/[C@@H](C)Cn3cncn3)C2)n1 328786132 WMGHMJDKXVQOMQ-CMPLNLGQSA-N 319.369 1.152 30 50 DDEA O=[S@+]1(O)C[C@@H]2NC(=S)N(Cc3ccc(Cl)cc3)[C@H]2C1 334158083 NIIXZLNVWFPFEL-QWRGUYRKSA-P 317.843 1.753 30 50 DDEA C#CCCC1(CCC(=O)N(C)C[C@@H]2CCN(C(C)=O)C2)N=N1 952879778 HKKDYEXDLWHTQD-AWEZNQCLSA-N 304.394 1.669 30 50 DDEA C[C@@H]1CN(c2c(C#N)cnn2C)CCN1C(=O)OC(C)(C)C 585098045 ILIZORVQANJFGJ-LLVKDONJSA-N 305.382 1.737 30 50 DDEA Cc1ncc(CN2CCN(C(=O)CC#N)CC2)n1-c1ccccc1 585117327 YMYPRDUXPQJNPP-UHFFFAOYSA-N 323.400 1.739 30 50 DDEA C=CCN(CC=C)S(=O)(=O)c1nc2nc(C)cc(C)n2n1 92673 HDIFUPBIFSCXRH-UHFFFAOYSA-N 307.379 1.104 30 50 DDEA C#CCCC1(CCNC(=O)c2ccnc(-n3cccn3)c2)N=N1 2325887366 KRIWXGQYDQKMIT-UHFFFAOYSA-N 308.345 1.963 30 50 DDEA CCOCCN1CCN(c2nnc(C)c(C)c2C#N)C[C@H]1C 248320410 SDNMQVOHMRKCKX-GFCCVEGCSA-N 303.410 1.512 30 50 DDEA CSc1nc(N2CCOCC2)c2c(c1C#N)CCN(C)C2 22298909 LGIHWSBCLQMDPV-UHFFFAOYSA-N 304.419 1.500 30 50 DDEA Cn1cnc2c(c1=O)CCN(C(O)=Nc1ccc(Cl)cn1)C2 328620333 GXPMTAQSDFPWRB-UHFFFAOYSA-N 319.752 1.433 30 50 DDEA Cc1ccc(N2CCN(C3CCOCC3)C[C@H]2C)nc1C#N 369662872 IZYYHVKBIIVMRQ-CQSZACIVSA-N 300.406 1.951 30 50 DDEA N#Cc1ccc(F)cc1CN1CCC[C@@](O)(Cn2ccnn2)C1 284671484 XFIYOHVXMHTOEZ-INIZCTEOSA-N 315.352 1.316 30 50 DDEA COCCN1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 230543257 BYZUBKTXHDVHLK-UHFFFAOYSA-N 303.211 1.995 30 50 DDEA CN1CCO[C@@H](CNc2ccc(C#N)nc2)[C@@H]1c1ccnn1C 886079990 OPTMTMWZWYQPAG-HOTGVXAUSA-N 312.377 1.171 30 50 DDEA C[C@@](C#N)(NC(=O)CN1CCc2ccc([N+](=O)[O-])cc21)C1CC1 195561270 DOUBJRHZEPGZRQ-INIZCTEOSA-N 314.345 1.766 30 50 DDEA CN(C)CC#CCNC(=O)NCCCCN(C)c1ccccc1 1616039894 XZCBEOXMDBCDOS-UHFFFAOYSA-N 316.449 1.767 30 50 DDEA CCOC(=O)C1=C(C)N/C(=C/c2cccc(C(=O)OC)c2)C1=O 2305454 LCDGBVSNTCCAOC-UKTHLTGXSA-N 315.325 1.824 30 50 DDEA CN1CCN(/C(O)=N/CC[C@@H]2CCCO2)C[C@H]1c1ncc[nH]1 328630449 PVXICSCHWCELEX-STQMWFEESA-N 307.398 1.181 30 50 DDEA C=C[C@@H](CO)NC(=O)[C@@H](c1ccccc1)N1CCSCC1 253419541 OQHUVQYYTANZEN-LSDHHAIUSA-N 306.431 1.440 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H](N)c2csc(CC)n2)N=N1 2325901196 XUOYPGNIJCTGQI-LBPRGKRZSA-N 305.407 1.787 30 50 DDEA N#Cc1cc(CS(=O)(=O)N2CCn3cccc3C2)cs1 921501343 JXAGATADPZVRSZ-UHFFFAOYSA-N 307.400 1.767 30 50 DDEA CN(C(=O)CN1CC(F)(F)C[C@@H]1CO)C1(C#N)CCCCC1 368797145 MCBCWRSBSIJSRP-GFCCVEGCSA-N 315.364 1.373 30 50 DDEA CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(N2CCNC2=O)cc1 267543131 VZFQCGQVXMLJEB-CYBMUJFWSA-N 300.362 1.884 30 50 DDEA Cc1cc(N2CCn3nc(C#N)cc3C2)nc(N2CCCCC2)n1 1704335510 NTHKRPHYRLIVEP-UHFFFAOYSA-N 323.404 1.864 30 50 DDEA N#Cc1cc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)ccc1Cl 408031488 UVXHWLBUDKZVDE-UWVGGRQHSA-N 318.757 1.305 30 50 DDEA Cc1ccnc(N=C(O)N2CCN(C)[C@H](c3ncc[nH]3)C2)c1 328616077 BIRVFDDJKQSIAP-LBPRGKRZSA-N 300.366 1.647 30 50 DDEA Oc1ccc(/C=N/N=C/c2ccc(O)c(O)c2O)c(O)c1O 670429344 JEYXVENKSHQLMZ-IAGONARPSA-N 304.258 1.373 30 50 DDEA N#Cc1ccc([C@@H](O)CN2CCC(n3cnnc3O)CC2)cc1 846884266 YCKYFQBEPICAPR-HNNXBMFYSA-N 313.361 1.226 30 50 DDEA CN1CCN(NC=C2C(=O)CC(c3ccccc3)CC2=O)CC1 4395679 FMGKNMQWTIJMJI-UHFFFAOYSA-N 313.401 1.338 30 50 DDEA C=CCn1c(SCC(N)=O)nnc1-c1ccc(N(C)C)cc1 6698767 XEZNABJELYFGOQ-UHFFFAOYSA-N 317.418 1.775 30 50 DDEA Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]([C@@H](C)N)C1 227925995 JIJYINILJGHBED-OCCSQVGLSA-N 307.419 1.615 30 50 DDEA CCn1c([C@@H]2CCCN(Cc3ccccc3C#N)C2)n[nH]c1=O 67783981 NKTIMNNYIPKMFI-OAHLLOKOSA-N 311.389 1.843 30 50 DDEA O/C(=N/C1CCN(C[C@@H]2CCOC2)CC1)[C@@H]1C[C@@]12CCOC2 329678437 VPAHXEKKJVTLEW-JLJPHGGASA-N 308.422 1.870 30 50 DDEA C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2nncn2C)c1 125823742 HFLIHSBHKYZTEG-AWEZNQCLSA-N 323.356 1.099 30 50 DDEA C=CCn1cc(CN2CCC[C@@H](CN3CCN(C)CC3)C2)cn1 215379055 VRJOLMWTHOSMDK-KRWDZBQOSA-N 317.481 1.529 30 50 DDEA Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C#N)cn1 299742355 HGSLVRHGCTZJQW-SWLSCSKDSA-N 311.345 1.194 30 50 DDEA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)C(=O)c2ccc(C#N)[nH]2)C1 886082454 CGIASOZUKGRCFY-BMFZPTHFSA-N 316.405 1.600 30 50 DDEA O=[N+]([O-])N(/N=C/c1ccccc1)S(=O)(=O)c1ccccc1 3091640 WQVSVKXPDKCTSK-SDNWHVSQSA-N 305.315 1.903 30 50 DDEA CC#CC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 15064450 DCRHAMDVYFJQJB-GFCCVEGCSA-N 324.302 1.946 30 50 DDEA Cc1c(C(=O)O/N=C(\N)c2ccncc2)cccc1[N+](=O)[O-] 18093521 ABNPJIVPDOCCTD-UHFFFAOYSA-N 300.274 1.776 30 50 DDEA COc1cc(/C=N/Nc2ncc(C)c(=O)[nH]2)cc(OC)c1O 3901955 BLSQHCKDRBNESK-FRKPEAEDSA-N 304.306 1.247 30 50 DDEA Cc1noc(C/N=C(/O)N2CCC[C@H](C3(C)OCCO3)C2)n1 328593443 NFUKXSPZGMOWSU-NSHDSACASA-N 310.354 1.267 30 50 DDEA CC(C)/N=C(/O)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 328603782 HFBLVWUOGHLQHI-NWDGAFQWSA-N 309.414 1.901 30 50 DDEA N#Cc1ccc(C2(C(=O)N3CCC[C@](F)(CO)C3)CC2)cc1 376523436 UTJYLPCPUIZNSD-MRXNPFEDSA-N 302.349 1.913 30 50 DDEA COc1cc(CCNC(=O)C2(C#N)CCOCC2)cc(OC)c1 299772601 ADDYTUHKSYAKFP-UHFFFAOYSA-N 318.373 1.683 30 50 DDEA Cn1nc(C2CC2)cc1CN=c1[nH][nH]c(Br)c1C#N 1875280037 QRMNSRNKLXQAOV-UHFFFAOYSA-N 321.182 1.689 30 50 DDEA Cn1cnnc1C[C@]1(O)CCCN(Cc2cccc(C#N)c2)C1 886088488 HRBKYPOAHDUKLH-QGZVFWFLSA-N 311.389 1.256 30 50 DDEA CC(=O)N1CCO[C@@H]2CCN(c3nc(C)ccc3C#N)C[C@@H]21 886044628 CEONJDGXXZUBDO-LSDHHAIUSA-N 300.362 1.088 30 50 DDEA C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)C1CC1 583650781 BCBFLBSOIQDFHQ-NSHDSACASA-N 318.323 1.942 30 50 DDEA [O-][n+]1cccc(/C(Cl)=N/OC[C@H](O)CN2CCCCC2)c1 8826 SGEIEGAXKLMUIZ-XUVDNFPMSA-N 313.785 1.084 30 50 DDEA investigational O=S1(=O)CCCC[C@@H]1C/N=C(/O)N1CCCC[C@H]1CCO 329763246 UGXQWWORSGEAPJ-QWHCGFSZSA-N 318.439 1.105 30 50 DDEA C=CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@@H](C)NC(=S)N1 55228134 ICKYYZBZNLOIGZ-RISCZKNCSA-N 321.421 1.965 30 50 DDEA CCc1cnc(CC/N=C(/O)N2CCN3CCOC[C@H]3C2)s1 328587440 UHGLOKVOHQXLOT-GFCCVEGCSA-N 324.450 1.178 30 50 DDEA CC1CCN(/C(N)=N/Cc2ccnc(OCCN(C)C)c2)CC1 242263425 XZBCASFZEWXWRW-UHFFFAOYSA-N 319.453 1.569 30 50 DDEA C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1 131929719 FZSHEZMCPWWVEP-QMMMGPOBSA-N 314.267 1.799 30 50 DDEA Cn1cc(CN2CCC(N3CCC[C@@H](O)C3)CC2)cc1C#N 72428487 KBZVABNODVUCQU-QGZVFWFLSA-N 302.422 1.318 30 50 DDEA C=C(C)C[C@H](C)C(=O)N1CCN(CC(=O)NCCCC)CC1 584908651 DAXFPKMBYPFITG-HNNXBMFYSA-N 309.454 1.649 30 50 DDEA N#Cc1c(Cl)nsc1N1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@H](O)[C@@H]21 585092076 DINMNISIJPFUSX-VRAVUXMKSA-N 323.805 1.233 30 50 DDEA C[C@H]1C[C@@H](C)CN(C[C@H](C)NS(=O)(=O)CCCC#N)C1 110682485 OJIPSSBNVRHKET-MJBXVCDLSA-N 301.456 1.576 30 50 DDEA Cn1ncc(C#N)c1S(=O)(=O)NC(=O)[C@H]1CCCCC1(C)C 2325841383 RNZHSKZQBUCEFV-LLVKDONJSA-N 324.406 1.313 30 50 DDEA C#CCCC1(CCNC(=O)Cn2nc(C)c3cccnc32)N=N1 2325891650 TYUCQMNAXBSJLC-UHFFFAOYSA-N 310.361 1.822 30 50 DDEA C=CCn1c(=O)c2c(nc3n([C@@H](C)CC)c(C)cn23)n(C)c1=O 10233517 SGGIAIHEYYIVCA-JTQLQIEISA-N 315.377 1.615 30 50 DDEA CC(C)(O)C#Cc1cccc(C(=O)N2CCC[C@H]2C(=O)O)c1 20206853 HEBHESDCPXSAMD-AWEZNQCLSA-N 301.342 1.498 30 50 DDEA CCN1CCN(/C(O)=N/CC2(OC)CCC2)C[C@@H]1c1ncc[nH]1 328621242 HPKQIBFJIBVTSU-CYBMUJFWSA-N 321.425 1.571 30 50 DDEA COC[C@H](C)/N=C(/O)NC(=O)CN1[C@H](C)C[C@@H]2CCCC[C@H]21 331268618 KSGKDEGDSMRBMW-RFQIPJPRSA-N 311.426 1.705 30 50 DDEA N#Cc1ccc(C2=CCN(C[C@H](O)Cn3cccn3)CC2)cc1 371337486 XIEQINFHZDZAFE-SFHVURJKSA-N 308.385 1.905 30 50 DDEA C=CCn1c(SCC(=O)N(C)C)nnc1C1CCNCC1 426589698 BQSDCLXYXHSWTK-UHFFFAOYSA-N 309.439 1.111 30 50 DDEA C#CCN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 83251946 QKRHYZYBAVDFHS-NSHDSACASA-N 307.147 1.304 30 50 DDEA C=C(Br)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 162249137 DDHZDBIFWBEOFZ-GFCCVEGCSA-N 316.243 1.133 30 50 DDEA COCCN1CCC[C@@]2(CCN(c3ncccc3C#N)C2)C1=O 91616686 SYERQBZJPHGERG-KRWDZBQOSA-N 314.389 1.419 30 50 DDEA CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)[C@H]2CO2)CC1 1875373380 ZMSNEIBNMXMJTN-ZIAGYGMSSA-N 310.394 1.635 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@@H](n3cncn3)C2)N=N1 952882221 SPNOSDPVYNNKCC-CYBMUJFWSA-N 300.366 1.797 30 50 DDEA C=CCC(O)(CC=C)CNC(=O)c1cn(C[C@@H]2CCCO2)nn1 12003540 LPLQGMLCGFLKNU-ZDUSSCGKSA-N 320.393 1.070 30 50 DDEA N#Cc1cnc(N[C@@H]2CCN(C(=O)Cc3ccccc3)C2)cn1 367434689 JWAPMMMKSKVFNI-CQSZACIVSA-N 307.357 1.604 30 50 DDEA N#Cc1ccccc1C(=O)N1CCN(CC2CC2)[C@H](CCO)C1 220069199 SWAJFWPQAVEOML-MRXNPFEDSA-N 313.401 1.477 30 50 DDEA Cc1cn2nc(N[C@@H]3CCN(c4cnc(C#N)cn4)C3)ccc2n1 614776040 ADIRWRUSMZMQTL-GFCCVEGCSA-N 320.360 1.390 30 50 DDEA Cc1nsc(N2CCN(C(=O)c3cn[nH]c3)CC2)c1C#N 291272805 ZMPSTQKUDYGFBY-UHFFFAOYSA-N 302.363 1.009 30 50 DDEA C=CCN(Cc1ccsc1)C(=O)N[C@H]1CCS(=O)(=O)C1 820466572 JTLJGBJMGJAMHN-LBPRGKRZSA-N 314.432 1.633 30 50 DDEA C=CCOc1cccc(C(=O)Nc2cnn(CC(=O)NC)c2)c1 1529090908 KGKJDJOAKXUGCU-UHFFFAOYSA-N 314.345 1.446 30 50 DDEA CCCn1ncc(/C(O)=N/[C@H]2CCS(=O)(=O)C2)c1C1CC1 328958290 JRIIPYCGDBDDHL-NSHDSACASA-N 311.407 1.662 30 50 DDEA CS(=O)(=O)[C@@H]1C[C@@]1(C#N)CNC1(c2ccccn2)CCC1 2325771861 WNCRUOOTHXMJKS-ZIAGYGMSSA-N 305.403 1.377 30 50 DDEA COc1ccc(CN2C[C@H](OC)C[C@H]2c2ncn[nH]2)cc1C#N 284667141 WUQXLXULXDJTTD-KGLIPLIRSA-N 313.361 1.647 30 50 DDEA N#Cc1cccnc1N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 241719768 QPKKQULAVWPHCO-ACJLOTCBSA-N 315.336 1.803 30 50 DDEA CO[C@H]1C[C@@H](CN2CCCC2)N(c2nccc(C)c2C#N)C1 286391363 NAGUBJVVBZFSDN-GJZGRUSLSA-N 300.406 1.951 30 50 DDEA CC#CC(=O)NCC[C@@H]1CSCCN1C(=O)OC(C)(C)C 1875376786 IQKJLSBEBPDEGM-GFCCVEGCSA-N 312.435 1.869 30 50 DDEA C=CCN1C[C@@H](C(=O)NCC2(N(C)CC)CCCCC2)CC1=O 952961062 FOZBOODLNYCZAL-HNNXBMFYSA-N 321.465 1.792 30 50 DDEA COc1ccc(C#N)cc1NC(=O)N1CCO[C@@]2(CCOC2)C1 274371146 AZXSJLYKISVIEJ-INIZCTEOSA-N 317.345 1.590 30 50 DDEA CN1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 169978495 SLSFVUIIEXDKBD-UHFFFAOYSA-N 322.283 1.795 30 50 DDEA CC(=O)N1CCC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2n1C 2325736893 QSAXSGHNQUYFBR-ZDUSSCGKSA-N 311.345 1.394 30 50 DDEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(O)cc1O)[C@H]1C=C[C@H]2CC1 100175832 OTACDJQEZJJVOX-KUMKQNMBSA-N 312.325 1.629 30 50 DDEA Cn1ccnc1C[C@@H]1CCCN(S(=O)(=O)CCCC#N)C1 122137248 ZDPLZPSBIVFZKJ-ZDUSSCGKSA-N 310.423 1.308 30 50 DDEA COC(=O)c1c(Br)c(CC(C)C)[nH]c(=O)c1C#N 217043042 HXIHAWZYLVLZOM-UHFFFAOYSA-N 313.151 1.994 30 50 DDEA N#Cc1ccncc1NC[C@@]1(N2CCOCC2)CCSC1 361796959 GOCJZMYBETWUGV-HNNXBMFYSA-N 304.419 1.573 30 50 DDEA Cn1cc(CN[C@@H]2CCN(C(=O)c3cccnc3)C2)cc1C#N 365173995 YNYRHYHYBZOHJR-OAHLLOKOSA-N 309.373 1.296 30 50 DDEA Cn1cnnc1C[C@]1(O)CCCN(c2ccc(F)cc2C#N)C1 886065707 RCQGBEXKWRHYSF-MRXNPFEDSA-N 315.352 1.400 30 50 DDEA Cc1nc(O)c(C#N)cc1C(=O)N1C[C@H](C)[C@@](O)(C2CC2)C1 1565528607 LXXOOYHBAKWRNV-XXFAHNHDSA-N 301.346 1.200 30 50 DDEA CC(C)(C)OC(=O)NCC[C@@H](NC(=O)CC#N)C(F)(F)F 408520460 GOXATNWNIUBUIV-MRVPVSSYSA-N 309.288 1.862 30 50 DDEA N#Cc1c(CN2CCC[C@](O)(CC(N)=O)C2)cn2ccccc12 591645522 QGFORLXLVDVVNE-KRWDZBQOSA-N 312.373 1.013 30 50 DDEA C[C@@H](C/N=C(/O)Cc1ccc2n[nH]cc2c1)N1CCN(C)CC1 330092990 RGVQQGGGBIYSSF-ZDUSSCGKSA-N 315.421 1.698 30 50 DDEA Cn1nncc1C(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1 369153265 DRNFVYOZQSIPFH-CYBMUJFWSA-N 310.361 1.086 30 50 DDEA C[C@@H](Oc1ccccc1C#N)C(=O)N1CCO[C@H](CC(=O)O)C1 261793197 UALLMASKBLCIHG-DGCLKSJQSA-N 318.329 1.028 30 50 DDEA Cn1c(CO)nnc1[C@H]1CCCN(Cc2ccccc2C#N)C1 97413335 ACLQXJLYRXDBAH-HNNXBMFYSA-N 311.389 1.559 30 50 DDEA Cc1nc(CN2C[C@@H](F)C[C@H]2CNc2cnc(C#N)cn2)no1 275498041 BXDMJNWUKVNYJO-JQWIXIFHSA-N 317.328 1.064 30 50 DDEA N/C(=N\OC(=O)c1ccc(Cl)c(Cl)c1)c1nonc1N 16183479 DVFSMFQLBBOZOH-UHFFFAOYSA-N 316.104 1.436 30 50 DDEA C#CCCC1(CCNC(=O)c2cc3c(O)ncnc3cn2)N=N1 2325887262 ZTEQOELBZODCEQ-UHFFFAOYSA-N 310.317 1.426 30 50 DDEA CN(C)c1noc(CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)n1 253397154 UOXSYRJRZHOLMU-SWLSCSKDSA-N 305.382 1.563 30 50 DDEA CSC[C@H](C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 253392373 KCLKUQRDOUMMHB-LBPRGKRZSA-N 304.419 1.601 30 50 DDEA CN(CCCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1COCCO1 244900252 ZYRMBOQLJYMTAP-MRXNPFEDSA-N 317.389 1.624 30 50 DDEA N#Cc1ccc(N2CC[C@H](C(=O)N3CCCOC3)C2)c(F)c1 296997631 GPENYMWQGSGKOR-ZDUSSCGKSA-N 303.337 1.730 30 50 DDEA O=C[C@]12[C@H]3O[C@@H]4CC[C@H]5[C@H]1[C@H]1[C@H]([C@H]3[C@H]3[C@@H]6CC[C@H](O)[C@@H]6[C@H]2[C@H]31)[C@@H]54 254594728 UGZDBBQRNAWFTH-MTVUYPLGSA-N 312.409 1.734 30 50 DDEA C[C@@H]1CCCC[C@H]1CC(=O)NS(=O)(=O)c1cncc(C#N)c1 408489431 SKGXVKIDWOKDAX-YPMHNXCESA-N 321.402 1.975 30 50 DDEA C=CCn1c(SCC(=O)N2CCCCC2)nc(O)cc1=O 13113754 UXJSQUHYHWHLOX-UHFFFAOYSA-N 309.391 1.240 30 50 DDEA CC(C)(C#N)CCS(=O)(=O)N[C@H]1c2ccccc2C[C@H]1O 367364088 XHVCCYSTLMSCCW-KGLIPLIRSA-N 308.403 1.504 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H](c2ccccc2)c2nn[nH]n2)N=N1 2325894683 HRHZCYKRLCIIAV-AWEZNQCLSA-N 323.360 1.761 30 50 DDEA C=CCn1cc(CN(CCOC)C2CCN(C)CC2)c(C)n1 55153095 GZFZYNBKLSAPNM-UHFFFAOYSA-N 306.454 1.920 30 50 DDEA COCC(=O)NC[C@@H]1CCCN(Cc2ccccc2C#N)C1 67805735 ITEYYFXLSMZRGP-AWEZNQCLSA-N 301.390 1.533 30 50 DDEA C=CCCN1CCC(/N=C(/O)Cn2cc([N+](=O)[O-])cn2)CC1 328593383 MKMZHTFKQJALEP-UHFFFAOYSA-N 307.354 1.788 30 50 DDEA Cc1cnn(CC/N=C(/O)[C@@H]2CCO[C@H]2c2ccnn2C)c1 328617666 CZGNJYHLHMTVHE-TZMCWYRMSA-N 303.366 1.659 30 50 DDEA Cc1nc2c(c(-n3nc(N)c(C#N)n3)nn2C)c(C)c1Cl 6668316 LTECJRMOCIRUKE-UHFFFAOYSA-N 302.729 1.273 30 50 DDEA C[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 283729380 FGVACSPVJKAIAI-XJKSGUPXSA-N 314.389 1.417 30 50 DDEA N#Cc1ccc(C(F)(F)F)c(N2CCC[C@@](O)(C(N)=O)C2)c1 284660039 PNCXMXZBSRYJCH-ZDUSSCGKSA-N 313.279 1.394 30 50 DDEA COC[C@H]1CCCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 240744098 HULZPPIAIXDEBF-STQMWFEESA-N 303.428 1.071 30 50 DDEA C=CCN1CC2(CCC1=O)CCN(C(=O)[C@H](O)C(C)C)CC2 91736379 GLRVGTFNNZSJRK-OAHLLOKOSA-N 308.422 1.421 30 50 DDEA C=CCn1ncc(CN2CCN(Cc3nccn3C)CC2)c1C 820505214 BLEXZZJQWNYCLX-UHFFFAOYSA-N 314.437 1.429 30 50 DDEA COCc1ncc2c(n1)CCN(C[C@H](O)c1ccc(C#N)cc1)C2 879107136 HGBPVSDZAWVYHO-KRWDZBQOSA-N 324.384 1.586 30 50 DDEA Cn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C#N)nc1 598321755 WBESWLRUUIOWSF-SMDDNHRTSA-N 311.345 1.194 30 50 DDEA C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(C#N)c1N 585128769 NCIKGGCUJFTGHT-UWVGGRQHSA-N 307.325 1.802 30 50 DDEA C=CCN1CC2(CCN(CC[C@H]3CCOC3)CC2)OCCC1=O 1704311758 BTMONKGUTZRRAH-INIZCTEOSA-N 322.449 1.683 30 50 DDEA C#CCCC1(CCNC(=O)c2ccncc2-n2cccn2)N=N1 2325887397 NUCIWXQIPVLBLY-UHFFFAOYSA-N 308.345 1.963 30 50 DDEA C=CCNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 6730478 SIIMRZIZIVCIPN-UHFFFAOYSA-N 312.391 1.298 30 50 DDEA CCn1nccc1N1CCC[C@H](Nc2cncc(C#N)n2)C1=O 420612446 OYPMKHDMRITLPT-LBPRGKRZSA-N 311.349 1.172 30 50 DDEA O=S(=O)(/N=C(\O)N1CCC2(CCNCC2)C1)c1ccccc1 67947252 OEZFMOUWMAJWBA-UHFFFAOYSA-N 323.418 1.365 30 50 DDEA N#Cc1ccccc1C(=O)N1CCCO[C@@H](CN2CCCC2)C1 221302075 XLEZDRUOQRIAAB-INIZCTEOSA-N 313.401 1.885 30 50 DDEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)C3(C#N)CCC3)nn(C)c21 1875372984 QZSPXQTVAAWMET-MNOVXSKESA-N 302.378 1.961 30 50 DDEA CC(=O)N1CCO[C@H]2CCN(Cc3cc(F)ccc3C#N)C[C@@H]21 886055047 JYORYUSOIPDNAT-IRXDYDNUSA-N 317.364 1.519 30 50 DDEA COc1cc(CCC(=O)Nc2cnc(C#N)cn2)cc(OC)c1 1180130288 GMNLYJIXXKWRLR-UHFFFAOYSA-N 312.329 1.937 30 50 DDEA CC(C)[C@H]1CN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1N(C)C 1565516590 PCFPDZXUYCLYCX-CABCVRRESA-N 321.446 1.765 30 50 DDEA CC1(C)OB(c2cccc(CN3C(=O)CCC3=O)c2)OC1(C)C 169975085 LQVLWKHCUUWWLG-UHFFFAOYSA-N 315.178 1.635 30 50 DDEA in-vitro CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)Cc2cncn2C)C1 585125659 AQNJTYQOCJMNCA-INIZCTEOSA-N 323.400 1.572 30 50 DDEA CC(=O)C(C(C)=O)=C(N)N1CCN(c2cccc(Cl)c2)CC1 469435 MBMZDJWHCKKZPJ-UHFFFAOYSA-N 321.808 1.810 30 50 DDEA CNC(=O)[C@@]1(COC)CCCN1Cc1ccc(F)c(C#N)c1 591648023 ZIOSWEQARZKHBW-INIZCTEOSA-N 305.353 1.424 30 50 DDEA C=CCCO[C@@H](C)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C 225617366 BJFMAONMBNSGNB-GJZGRUSLSA-N 310.438 1.679 30 50 DDEA N#C[C@H]1CCCN1C(=O)CNC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 100029304 SYOKIDBDQMKNDQ-JXDCTMMDSA-N 303.406 1.174 30 50 DDEA in-man CN1CCO[C@H](CN(CC2CC2)C(=O)c2sccc2C#N)C1 328628015 GUEZBSBXIPAJMK-AWEZNQCLSA-N 319.430 1.803 30 50 DDEA Cn1cnnc1[C@@H]1CN(/C(O)=N/C(C2CC2)C2CC2)CCO1 328635482 UVQCHJILYMNINU-LBPRGKRZSA-N 305.382 1.291 30 50 DDEA C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](C(N)=O)C1 284396603 IVJVOVXIPHTIED-LLVKDONJSA-N 319.336 1.567 30 50 DDEA N#Cc1ccc(N2CCC[C@@](O)(Cn3ccnn3)C2)cc1Cl 284408023 CUNSCCBUBHMSFI-HNNXBMFYSA-N 317.780 1.835 30 50 DDEA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc(C#N)nc1)C2 92028792 IMXIADACMXAVEW-GFCCVEGCSA-N 323.352 1.943 30 50 DDEA CCOC(=O)N1CC[C@H](N2CCCn3nc(C#N)cc3C2)C1 584894212 VERKHRLHSQDLEP-ZDUSSCGKSA-N 303.366 1.191 30 50 DDEA C#CCCC1(CCC(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)N=N1 952880880 JZPKWAKXJHZXNY-OKILXGFUSA-N 304.394 1.322 30 50 DDEA COC(=O)c1cc(C#N)ccc1SC[C@@H](C)S(C)(=O)=O 1875266244 ZVGZGXDEYCOIRR-SECBINFHSA-N 313.400 1.870 30 50 DDEA N#Cc1cnn(-c2ccc(NC(=O)[C@@H]3[C@H]4CCC(=O)[C@H]43)cc2)c1 1875299608 PWDIFHLFCJGBGB-CWRNSKLLSA-N 306.325 1.908 30 50 DDEA C=C1CCN(C(=O)CNS(=O)(=O)/C=C/c2ccccc2)CC1 1875387828 ZLAARONUNAPQKC-FMIVXFBMSA-N 320.414 1.755 30 50 DDEA C[C@@H](CC(=O)N1CC[C@@](F)(C#N)C1)NC(=O)c1ccccc1 170604640 KLIPZMLADPOKQG-BLLLJJGKSA-N 303.337 1.659 30 50 DDEA Cc1ccc(C#N)c(N2C[C@H](C(C)C)[C@@H](NS(C)(=O)=O)C2)n1 248129602 XZZJIFMVZSSNDB-KGLIPLIRSA-N 322.434 1.272 30 50 DDEA N#Cc1cnn2c(=O)nc(SCc3cc(F)cc(F)c3)[nH]c12 2325863782 WPDQXSJDUVQKKU-UHFFFAOYSA-N 319.296 1.860 30 50 DDEA C#CCCC1(CCNC(=O)CCc2ocnc2C(=O)O)N=N1 2325901125 UYFOHXODRDCVIV-UHFFFAOYSA-N 304.306 1.387 30 50 DDEA C=CCn1nnc(NC(=O)c2cncc(Br)c2)n1 9547571 MVYVIMWUOSXAFM-UHFFFAOYSA-N 309.127 1.269 30 50 DDEA Cc1cc(N2CC[C@@H](Sc3cc(C#N)ccn3)C2=O)n(C)n1 172917920 YTRYAYVJCLQQKA-GFCCVEGCSA-N 313.386 1.893 30 50 DDEA CC(C)n1cc([C@]2(O)CCCN(c3ccc(C#N)nc3)C2)nn1 284431637 DSNLFFYJOYBOKN-INIZCTEOSA-N 312.377 1.614 30 50 DDEA C=CCN1CC[C@@]2(CCC1=O)CN(Cc1ncc[nH]1)CCN2C 91756320 KSLCLXBQFKUNCF-KRWDZBQOSA-N 317.437 1.094 30 50 DDEA CCn1cc(CN2C[C@H](O)[C@@H](N3CCCCC3)C2)cc1C#N 584886753 VINNVDBIHXGGDP-IRXDYDNUSA-N 302.422 1.411 30 50 DDEA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)C#CC3CCOCC3)C2)o1 952888194 MODOMKMRDWXWMP-CABCVRRESA-N 317.389 1.635 30 50 DDEA CO[C@H]1CCN([C@H]2CCC[C@H]2N(C)C(=O)c2ccc(C#N)[nH]2)C1 886082455 CGIASOZUKGRCFY-IMJJTQAJSA-N 316.405 1.600 30 50 DDEA N#Cc1ccc(CN2CCC[C@@](O)(c3cnn[nH]3)C2)cc1F 583617937 LXMKUGQVLMUMRL-HNNXBMFYSA-N 301.325 1.299 30 50 DDEA C=CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)C(=O)N=C1S 1252601 WUKKBZDWYXZJSQ-YFHOEESVSA-N 318.354 1.625 30 50 DDEA COCCN1C(=O)C(=O)/C(=C(\C)O)[C@@H]1c1ccc(OC)cc1 1772492273 NRYTZQFJFJCJIA-UELRPHRMSA-N 305.330 1.626 30 50 DDEA CC(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1F 19882023 LIEUEIUGKSWHMT-AWEZNQCLSA-N 306.337 1.672 30 50 DDEA COC(=O)/C(=N\O)c1ccc(Br)cc1[N+](=O)[O-] 169748251 DBFMDFCETKWFBB-FLIBITNWSA-N 303.068 1.709 30 50 DDEA N#Cc1ccccc1-c1ccc(CN2CC[C@H](CO)[C@@H](O)C2)o1 1857737494 OUFZVGXSBACCGJ-PBHICJAKSA-N 312.369 1.993 30 50 DDEA N#Cc1nc(CC(=O)O)oc1N1CCN(c2ccccc2)CC1 1857799274 USESIACGKXUDGW-UHFFFAOYSA-N 312.329 1.500 30 50 DDEA CN(CCC#N)C(=O)c1cc2c(=O)n3ccccc3nc2n1C 2917000 SWTOKKJZORRZRI-UHFFFAOYSA-N 309.329 1.172 30 50 DDEA N#Cc1cc2c(=O)n([C@H]3COC4(CCCC4)C3)ccc2[nH]c1=O 67946621 SBVSWMRJKCQAIZ-GFCCVEGCSA-N 311.341 1.836 30 50 DDEA CN1CC[C@@H](C/N=C(/O)Nc2ccn(C)n2)[C@@H]1c1cccnc1 328637923 WCHYSLCZHYKTNL-ZFWWWQNUSA-N 314.393 1.834 30 50 DDEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(CO)o1 71763018 RYDNPNBLHUOXON-UHFFFAOYSA-N 309.329 1.997 30 50 DDEA C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](O)C2 820505838 UUPXFQSDXAZBLY-LLVKDONJSA-N 307.419 1.108 30 50 DDEA N#Cc1cc2n(n1)CCN([C@@H]1CCN(c3ccc(F)cc3)C1)C2 584897326 XMBZNFCHXHZCQB-MRXNPFEDSA-N 311.364 1.988 30 50 DDEA C=C(C)CN1CCN(C(=O)[C@H]2CC(=O)OC23CCCCC3)CC1 952979784 AIZQSBTZUCRAKG-OAHLLOKOSA-N 320.433 1.973 30 50 DDEA N#C[C@H]1CN(C(=O)c2ccnn2-c2ccccc2)CCN1C1CC1 369374944 LYJXLILWEDDUDV-INIZCTEOSA-N 321.384 1.685 30 50 DDEA CCn1c(NC(=O)C(=O)c2cnn(C)c2)nc2cc(C#N)ccc21 131778952 IXENTRXTLLPODT-UHFFFAOYSA-N 322.328 1.483 30 50 DDEA CC(C)(C)OC[C@@H](O)CN1CCN(c2ccccc2C#N)CC1 263717923 QKDCFVKPUCKTOZ-INIZCTEOSA-N 317.433 1.856 30 50 DDEA N#Cc1c[nH]c(C(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)c1 426412365 JFZQAQBHLOETCX-CYBMUJFWSA-N 308.341 1.669 30 50 DDEA C#CC1(NC(=O)c2ccnn2CCOCCOC)CCCC1 2325767743 OZADNUCADXFBEL-UHFFFAOYSA-N 305.378 1.222 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H]2COC3(C(=O)OC)CC2C3)N=N1 2325898558 LFJKTMCTQPDAKB-MQYJIDSJSA-N 319.361 1.179 30 50 DDEA C#CCCC1(CCC(=O)N2Cc3c(cnn3C)[C@@H]2C(=O)O)N=N1 2325900296 SOJQOLRJEZPIHT-CYBMUJFWSA-N 315.333 1.244 30 50 DDEA C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)NC1=S 610143 NKZNSARNRMHFGZ-NSHDSACASA-N 323.805 1.940 30 50 DDEA O=C1N=C(O)CC[C@@H]1/N=C(/O)[C@@H]1CCCN(C(=O)C2CC2)C1 328645426 GWOYGWBNVWJHMT-MNOVXSKESA-N 307.350 1.237 30 50 DDEA C#CCN(CC#N)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 381657744 QWPXWEGIAAPKMV-UHFFFAOYSA-N 322.118 1.956 30 50 DDEA N#Cc1c[nH]c(C(=O)NC2CCN(C(=O)C3CCCC3)CC2)c1 426523451 KNCBNBUQACEHIM-UHFFFAOYSA-N 314.389 1.797 30 50 DDEA N#Cc1ccc(CN2CCC[C@H](n3cnc(C(N)=O)n3)C2)s1 299739094 KMJMZTVFRHWIIR-JTQLQIEISA-N 316.390 1.147 30 50 DDEA N#Cc1cccnc1N1CCC[C@H](CNC(=O)c2ccon2)C1 826795775 UFQCHTGCXWYGBB-GFCCVEGCSA-N 311.345 1.588 30 50 DDEA COCCN1CC[C@H](CN(C)Cc2cc(C#N)n(C)c2C)C1 952976299 JZYPSLAIHGHARB-OAHLLOKOSA-N 304.438 1.605 30 50 DDEA C=C(C)COCCNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O 241470672 NWYZCBOMJYABGW-RRFJBIMHSA-N 312.410 1.151 30 50 DDEA CN1CCN(c2cccnc2C#N)C[C@H]1c1nc(C2CC2)no1 377985382 KSAJISNTJUSVPA-AWEZNQCLSA-N 310.361 1.707 30 50 DDEA CCCNc1cc(N2CCC3(CC2)C[C@@]3(C#N)CO)ncn1 2325775622 RZLFUVAZAIAEQX-MRXNPFEDSA-N 301.394 1.791 30 50 DDEA C#CCCC1(CCC(=O)NCCN2CCn3nccc3C2)N=N1 2325886452 ZGADTXQABXHKJQ-UHFFFAOYSA-N 314.393 1.171 30 50 DDEA Cc1noc([C@@H](/N=C(/O)c2nccnc2N)C2CCOCC2)n1 328608919 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DDEA CC(=O)NCc1c[nH]nc1[C@@H]1CCN(c2ncccc2C#N)C1 952849001 DTEUDKSCUWHTBA-CYBMUJFWSA-N 310.361 1.306 30 50 DDEA C=CC[C@H](NS(=O)(=O)c1cc(C)c(F)c(C)c1)C(=O)O 274901542 IFNUAWLWCZEWDR-NSHDSACASA-N 301.339 1.750 30 50 DDEA CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1c(F)cc(C#N)cc1F 189045240 AZLKOENBNHPFMF-CYBMUJFWSA-N 321.327 1.823 30 50 DDEA CO[C@H]1C[C@@H](C(N)=O)N(c2ccc(C(F)(F)F)cc2C#N)C1 583616809 IURQDGSGQJPMBM-JQWIXIFHSA-N 313.279 1.656 30 50 DDEA N#Cc1cc(F)c(N2CC(CO)(CO)C2)cc1Br 721509544 OUWYDWPDKTXTJW-UHFFFAOYSA-N 315.142 1.251 30 50 DDEA O=C(O)C(F)(F)N1C[C@H](C(F)(F)F)O[C@@H](C(F)(F)F)C1 100698855 UAIHDPZPOAHNGV-QWWZWVQMSA-N 317.132 1.858 30 50 DDEA C#CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100633583 OYFYNEJLBWQGIQ-SDADXPQNSA-N 321.332 1.788 30 50 DDEA CC1(C)OB(c2ccc(S(=O)(=O)C3CC3)cc2)OC1(C)C 170008913 XSIXMQWYBMTLMS-UHFFFAOYSA-N 308.208 1.922 30 50 DDEA COC(=O)c1ccccc1N(C)C(=O)Cn1cnc(C#N)c1C#N 180423315 ZBWXRCSNALSWOE-UHFFFAOYSA-N 323.312 1.076 30 50 DDEA O=C(C[n+]1cccc(C=NO)c1)Nc1ccccc1C(=O)O 252677925 BEXNRVDDJGADNC-UHFFFAOYSA-O 300.294 1.119 30 50 DDEA CO[C@H](C)CNC(=O)C1CCN(c2ccc(C#N)cn2)CC1 1875264855 JEDLUDFCGDSNIS-GFCCVEGCSA-N 302.378 1.321 30 50 DDEA N#Cc1cc(CN2CCC[C@@](O)(c3cnn[nH]3)C2)ccc1F 583618046 XLNBELSMSWOTOM-HNNXBMFYSA-N 301.325 1.299 30 50 DDEA CCc1nc(SCC(=O)OC2CCCC2)[nH]c(=O)c1C#N 5239061 WUUSWTVXSNRGGA-UHFFFAOYSA-N 307.375 1.782 30 50 DDEA Cc1noc([C@@H](/N=C(/O)Nc2cc(C)on2)C2CCOCC2)n1 328627141 MLDPKNUMLJLCLQ-LBPRGKRZSA-N 321.337 2.168 30 50 DDEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)[C@H](C)n2cncn2)cn1 328619830 GGOVCVBVGQNAPK-FPMFFAJLSA-N 318.381 1.932 30 50 DDEA N#Cc1cccc(-c2nnc(CN3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5O)o2)c1 333347590 VBIZJRIDPVMRJN-QZLJAVCYSA-N 322.368 1.809 30 50 DDEA CN(C(=O)c1cc(C#N)cn1C)c1c(F)cccc1C(N)=O 153191530 GDZVVLLMOBJZCX-UHFFFAOYSA-N 300.293 1.411 30 50 DDEA N#Cc1ccc(N2CCC[C@](O)(Cn3ccnn3)C2)cc1Cl 284409398 CUNSCCBUBHMSFI-OAHLLOKOSA-N 317.780 1.835 30 50 DDEA C=CCN1CC[C@]2(CCC1=O)CN(C(=O)NCCC)CCN2C 95359641 COSIHCXDHRFDIT-QGZVFWFLSA-N 322.453 1.291 30 50 DDEA CC(C)[C@](C)(C#N)NC(=O)CN1CCc2ccccc2[C@H]1CO 268080028 GFOWQWLMVIVFLD-AEFFLSMTSA-N 315.417 1.633 30 50 DDEA CCCn1c(O)nnc1S(=O)(=O)Cc1ccccc1C#N 170617125 VDHWMMAHFBADSN-UHFFFAOYSA-N 306.347 1.239 30 50 DDEA N#Cc1cc2cccnc2nc1N1CCC[C@@H]1[C@@H]1COCC[C@H]1O 596227500 ZSZYUNQPOBGIND-ARFHVFGLSA-N 324.384 1.868 30 50 DDEA Cc1ccc(/C(O)=N/CCNS(=O)(=O)N(C)C)c(Cl)c1 331361151 YSBRHHXFSCBIAJ-UHFFFAOYSA-N 319.814 1.349 30 50 DDEA C=CCC1(S(=O)(=O)NCCCN2CCCO[C@H](C)C2)CC1 1615606422 XGUQALXSGBJUJX-CQSZACIVSA-N 316.467 1.515 30 50 DDEA C=CCn1c(SCC(C)C)nc2c1c(=O)n(C)c(=O)n2C 287454 RRUXHUBDNMGCRJ-UHFFFAOYSA-N 308.407 1.368 30 50 DDEA C[C@@H](C(=O)O/N=C(\N)c1ccccn1)c1ccc([N+](=O)[O-])cc1 8553245 BUVBCAJUMFRBIK-SNVBAGLBSA-N 314.301 1.957 30 50 DDEA N#Cc1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 230113929 TYCNWUVDVNXRRG-CABCVRRESA-N 306.387 1.890 30 50 DDEA CN1CCC(/N=C(/O)N(C)C[C@H]2CCn3ccnc3C2)CC1 328625573 KWRUTBAZSKCKOY-ZDUSSCGKSA-N 305.426 1.386 30 50 DDEA CCn1cc(CNC(=O)c2ccc(C#CC(C)(C)O)cc2)cn1 217377832 BGOFIVKDZXDDQO-UHFFFAOYSA-N 311.385 1.955 30 50 DDEA CN(CC#CCN(C)C[C@H]1CCCOC1)C[C@@H]1CCCOC1 341895283 LDZCCEYOAOKBNH-HDICACEKSA-N 308.466 1.707 30 50 DDEA CCc1ccc([C@@H](C#N)NC(=O)c2ccc3nnc(O)n3c2)cc1 489945618 JKIYFRMUNDEPGJ-CQSZACIVSA-N 321.340 1.992 30 50 DDEA Cc1cc(O)nc(N2CCC[C@H](Nc3ccc(C#N)cn3)C2)n1 952993838 KVVJZFJHUOSVRQ-ZDUSSCGKSA-N 310.361 1.838 30 50 DDEA Cc1cc(C#N)ccc1CN1CC[C@H](n2cc(C(N)=O)nn2)C1 591655416 SAIJIAKLQZTPBH-AWEZNQCLSA-N 310.361 1.004 30 50 DDEA Cc1nnc2n1C[C@@H](C(=O)NC1(c3ccc(C#N)cc3)CC1)CC2 1616030960 BCBFDGQKIDQLBS-AWEZNQCLSA-N 321.384 1.826 30 50 DDEA C=CCS(=O)(=O)N1CCC(CCC(=O)NC2CC2)CC1 11773866 SLILVUYJDMEZEP-UHFFFAOYSA-N 300.424 1.273 30 50 DDEA C[C@]1(C#N)CCCN(CC(O)CN2CCC[C@](C)(C#N)C2)C1 408514945 GRGAIWNZIUNIHM-IAGOWNOFSA-N 304.438 1.599 30 50 DDEA COCc1nc(C)cc(N2CCN(c3cccc(C#N)n3)CC2)n1 354721990 WFMGWLPPDCEPKN-UHFFFAOYSA-N 324.388 1.525 30 50 DDEA C#CC1(C(=O)N(C)C[C@H](C)NC(=O)Cc2cnsc2)CC1 2325824956 XFDBEYSGSJGDCA-NSHDSACASA-N 305.403 1.062 30 50 DDEA Cc1c(Cl)cnc(N2CCCN([C@H](C)CO)CC2)c1C#N 368958672 MYKZMCBCRBIIHJ-LLVKDONJSA-N 308.813 1.808 30 50 DDEA Cn1cc([C@H]2OCCC[C@@H]2N/C(O)=N/Cc2cscn2)cn1 328641862 YDGJNNRDSRBGOY-QWHCGFSZSA-N 321.406 1.801 30 50 DDEA C=CCN(C(=O)CN1CCCC[C@@H](O)C1=O)c1ccccc1 615003497 ZCDAAHVCFUPPEE-OAHLLOKOSA-N 302.374 1.579 30 50 DDEA N#Cc1ccc(C(=O)N[C@@H](C2CCNCC2)[C@H]2C[C@H](O)C2)cc1 244691841 JJZVPSCVDVZVGU-ULQDDVLXSA-N 313.401 1.427 30 50 DDEA CNC(=O)[C@]12CCOC[C@H]1CN(c1c(F)cc(C#N)cc1F)C2 952849366 BBXLWYJGFDGETR-BZNIZROVSA-N 321.327 1.425 30 50 DDEA C=C(Cl)CS(=O)(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 170608424 OUGHUZCIAKKQKQ-LBPRGKRZSA-N 320.842 1.449 30 50 DDEA C#CCCC1(CCNC(=O)c2ccc3c(n2)NCC(=O)N3)N=N1 2325893591 HMKZJHYLAULINB-UHFFFAOYSA-N 312.333 1.141 30 50 DDEA O/C(=N/[C@@H]1CCc2c[nH]nc2C1)N1CCC[C@H](n2cncn2)C1 329851533 TVONQLPLIOZEPA-OLZOCXBDSA-N 315.381 1.110 30 50 DDEA CN(CC(O)=Nc1nncs1)C[C@@H]1CCc2nccn2C1 328637702 ORVRPLHKYVAPHG-JTQLQIEISA-N 306.395 1.517 30 50 DDEA C=C(C)CN(CC)C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 154646462 RLIPQNNSTYKHGU-UHFFFAOYSA-N 313.361 1.835 30 50 DDEA CC(C)(O)C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](O)C3)o1 952989902 IWLCILOIMSWTTQ-ITGUQSILSA-N 303.358 1.530 30 50 DDEA O=S1(=O)N=C(N/N=C/c2ccccc2O)c2ccccc21 190973 GQELPKPRNBNCSI-OQLLNIDSSA-N 301.327 1.465 30 50 DDEA N#Cc1c(NCc2ccccc2N2CCOCC2)ccnc1N 1615548391 DMPHNXOOBFPHJN-UHFFFAOYSA-N 309.373 1.984 30 50 DDEA Cc1c(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)cc(C#N)n1C 1616083077 LVNYENJMIOZVIC-YOEHRIQHSA-N 311.389 1.031 30 50 DDEA Cc1nc([C@@H]2CCn3ncnc3C2)n(-c2ccc(C#N)cc2)n1 1857681991 LKUIKULLONGTAP-CYBMUJFWSA-N 305.345 1.769 30 50 DDEA CCn1ccnc1CN1CCN(C[C@@H](C#N)CCC#N)C[C@@H]1C 229513250 OWBXNFUCPYRACH-JKSUJKDBSA-N 314.437 1.853 30 50 DDEA COC[C@]1(CN=c2cc[nH]cc2C#N)OCCc2ccccc21 378061679 SBCGJJZFZMXCET-SFHVURJKSA-N 309.369 1.902 30 50 DDEA C[C@@]1(NC(=S)Nc2cccc(O)c2)CC[S@@+](=O)(O)C1 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YAMHLDQEOQOYLR-KRWDZBQOSA-N 322.416 1.748 30 50 DDEA Cc1ccc(NN=C(C(=O)N2CCCC2)C(N)=S)cc1C 254429632 ZMKSHKKNQCIEJS-UHFFFAOYSA-N 304.419 1.980 30 50 DDEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc([N+](=O)[O-])c1 169809889 KSHZAKDFKZEZJQ-UHFFFAOYSA-N 307.111 1.681 30 50 DDEA in-vitro Cc1ccc(N2CCC(C(=O)N3CCO[C@H](C#N)C3)CC2)nc1 171731602 XZHYBUMIHZWKLB-OAHLLOKOSA-N 314.389 1.357 30 50 DDEA CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(C#N)n(C)c1 373813526 VJGGQMUSHNMCHN-KRWDZBQOSA-N 308.385 1.570 30 50 DDEA CC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccccc1 585121571 SKHUXBMFAQZEBM-ZDUSSCGKSA-N 312.329 1.088 30 50 DDEA CC#CC(=O)N[C@H](CC)CS(=O)(=O)c1ccc(C)c(C)c1 241160564 JYIDVPCOMKAOLP-CQSZACIVSA-N 307.415 1.995 30 50 DDEA C=CCn1cc(CN2CCOC[C@@H]2CC(=O)OCC)c(C)n1 55036461 WHTSYIRSPGJIQE-HNNXBMFYSA-N 307.394 1.532 30 50 DDEA CCN1CCN(/C(O)=N/[C@H](C)C2CC2)C[C@@H]1c1nccn1C 328644985 ZNWOCWSCQPTNDA-TZMCWYRMSA-N 305.426 1.811 30 50 DDEA N#Cc1ncn(C[C@H]2CCN(C(=O)c3ccccc3)C2)c1C#N 282129897 CHFLFTJOHJXALM-ZDUSSCGKSA-N 305.341 1.789 30 50 DDEA C#C[C@@H](NC(=O)N1CCC(N2CCCCC2=O)CC1)C(C)C 253427988 FVXKODOZTMUFMV-OAHLLOKOSA-N 305.422 1.831 30 50 DDEA N#Cc1cc2n(n1)CCN(C(=O)Cc1nc3ccccc3[nH]1)C2 426651457 YGHCCYNACNZKKO-UHFFFAOYSA-N 306.329 1.216 30 50 DDEA CN(C)CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169743587 KTDBEJMIGCLCSU-UHFFFAOYSA-N 318.226 1.277 30 50 DDEA in-vitro CC1(C)NC(=O)CC[C@@H]1NC(=O)Cc1cccc(OCC#N)c1 801740674 JTPYEVFXQBDOSV-AWEZNQCLSA-N 315.373 1.305 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H](C(=O)O)c2cscn2)N=N1 2325900948 OQBXPYYXNMWFIA-LLVKDONJSA-N 306.347 1.741 30 50 DDEA O/C(=N/C[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1C[C@@]12CCOC2 329122849 RKFRPPINFCCKPX-GMXVVIOVSA-N 322.327 1.633 30 50 DDEA CN(Cc1nccn1C)[C@H]1CCN(c2sccc2C#N)C1=O 299650907 KYLCRIOPKZIYDD-LBPRGKRZSA-N 315.402 1.591 30 50 DDEA CC1(C)OB(c2cccc(CCN3CCOCC3)c2)OC1(C)C 169810173 UCGBEMSMXAGTSD-UHFFFAOYSA-N 317.238 1.861 30 50 DDEA CC#CC(=O)N(C)C[C@H]1CCCN(CC)[C@@H]1c1cnn(C)c1 855567357 SLUORVJPOITLNI-PBHICJAKSA-N 302.422 1.675 30 50 DDEA C=CCn1c(N)cc(=O)nc1SCC(=O)NC1CCCCC1 205668 XZEYSVPJMSXUDD-UHFFFAOYSA-N 322.434 1.553 30 50 DDEA CCOC(=O)C1=C(N)OC(C)=C(C(C)=O)[C@H]1c1cccnc1 251316 UIPDEBMAFFBCBS-CYBMUJFWSA-N 302.330 1.792 30 50 DDEA O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])o1 100175616 OEWFLNZAFXFIFF-LGGAUQEESA-N 315.285 1.719 30 50 DDEA C=C(C)CN(CC)C(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 249681642 CXQWTNUJHXFXJV-BFHYXJOUSA-N 306.406 1.975 30 50 DDEA CC(=O)C1=C(O)C(=O)N(CCCC(=O)O)[C@@H]1c1ccccc1F 20065468 AZPIWEOWYVXJLM-CQSZACIVSA-N 321.304 1.975 30 50 DDEA C#CCCC1(CCC(=O)N[C@H](CC(=O)O)C2CCOCC2)N=N1 952876356 NZGHVSJMULLDKM-CYBMUJFWSA-N 321.377 1.728 30 50 DDEA C=CCN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1COCCO1 888101097 ZRHFAMDKKSVHAY-ZIAGYGMSSA-N 322.409 1.557 30 50 DDEA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 190658440 ZKWYIKMGNSTBQU-HNNXBMFYSA-N 323.400 1.875 30 50 DDEA CN(C)c1n[nH]c(C2CCN(c3ncc(C#N)cc3F)CC2)n1 575603612 WNYXXMDJHPEIQV-UHFFFAOYSA-N 315.356 1.660 30 50 DDEA C=CCN(CC(=O)O)C(=O)c1nnn(-c2cccc(C)c2)c1C 762050388 NCZWVWUNLQQOQK-UHFFFAOYSA-N 314.345 1.597 30 50 DDEA C#CCSc1nnc(NC(=O)CSc2cnn[nH]2)s1 334163151 MPXCDQKZTPVPEI-UHFFFAOYSA-N 312.405 1.112 30 50 DDEA N#Cc1ccc([N+](=O)[O-])cc1N1CCO[C@@H](C(=O)C2CC2)C1 170598741 CLSVWOJMLVWPTG-CQSZACIVSA-N 301.302 1.651 30 50 DDEA C=CCOc1ccc(CN2CC[C@H](O)[C@H](C(=O)O)C2)cc1OC 1616083946 RUBLKWBVXOVHGF-KGLIPLIRSA-N 321.373 1.527 30 50 DDEA Cn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/Cc1ccnc(O)c1 328645187 SCCHUWPRFZIDPU-BXUZGUMPSA-N 302.334 1.755 30 50 DDEA C=C(C)COc1cccc(C(=O)N(CC)[C@H]2COC[C@@H]2O)c1 55413823 AWSCIGNOARBASF-HOTGVXAUSA-N 305.374 1.863 30 50 DDEA C[C@@H](CO)N1CCCN(C(=O)c2cccc(F)c2C#N)CC1 364199204 ACZHTYNMELTDAD-LBPRGKRZSA-N 305.353 1.226 30 50 DDEA C=CCn1c(CN)nnc1SCc1ccc(C(=O)N(C)C)o1 426707326 BAVCHGBEBSNIDX-UHFFFAOYSA-N 321.406 1.510 30 50 DDEA N#C[C@]12C=C[C@H]1[C@H]1C=C[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n21 247652270 NSULHBDHVWVZNM-ZOMKSWQUSA-N 304.309 1.162 30 50 DDEA O=C([C@H]1CO1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 1875372725 LKWDTPJVQCCUMA-GFCCVEGCSA-N 315.291 1.914 30 50 DDEA CNC(=O)[C@]12CCOC[C@H]1CN(c1ccc(F)cc1C#N)C2 952849716 FUCWLEDWOIODRZ-WBMJQRKESA-N 303.337 1.286 30 50 DDEA COC(=O)Cc1cc2c(c(B3OC(C)(C)C(C)(C)O3)c1)OCO2 169904558 WOHOTRCEMIIOEP-UHFFFAOYSA-N 320.150 1.430 30 50 DDEA in-vitro C=C(C)COc1ccc(C(=O)N2CC[C@@H](O)C[C@H]2C(=O)O)cc1 209790624 KNUZESXWDAQAAY-HIFRSBDPSA-N 319.357 1.692 30 50 DDEA CCNC(=O)C[C@H]1S/C(=N\N=C\c2ccc(C)o2)NC1=O 5101842 RWVBYLVJFXBJTR-MIJYTDESSA-N 308.363 1.036 30 50 DDEA CN(C)[C@H](/C(O)=N/[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cncn1C 328590043 HZNSDOOFJUWXBH-SPWCGHHHSA-N 318.421 1.937 30 50 DDEA C[C@H](O)CN1CCN(CCOc2ccccc2C#N)C[C@@H]1C 229375245 NQLMLVXRYWVBOH-GJZGRUSLSA-N 303.406 1.324 30 50 DDEA Cc1cnccc1NCCn1ccc2[nH]c(=O)c(C#N)cc2c1=O 67820998 LCAZAGLIUHFSFY-UHFFFAOYSA-N 321.340 1.377 30 50 DDEA N#Cc1ccc(N2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)nc1 328617663 CZBYAEYOVLWDSI-GFCCVEGCSA-N 324.344 1.570 30 50 DDEA CC(C)[C@@H]1CN(/C(O)=N/CCC2(O)CCOCC2)CCO1 329200132 BHFIBQXGMBFHKX-ZDUSSCGKSA-N 300.399 1.189 30 50 DDEA CC(C)C[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(=O)O 263024557 BGLNWZMDLLEIBL-GFCCVEGCSA-N 314.338 1.475 30 50 DDEA C=C(C)COc1ccc(NC(=O)NC[C@@]2(O)CCNC2)cc1 299783683 WXPQJDGGQWPEGP-MRXNPFEDSA-N 305.378 1.487 30 50 DDEA Cn1nccc1C(=O)N1CCCN(c2ccc(C#N)cn2)CC1 1057103454 JSKWIGSSJRYCKB-UHFFFAOYSA-N 310.361 1.039 30 50 DDEA COCCNC(=O)CNc1ccc(C#N)cc1Br 134564707 ZNGULYNAHBZDJV-UHFFFAOYSA-N 312.167 1.495 30 50 DDEA Cc1ncc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 264179090 LRNBCRWVWNZIEW-UHFFFAOYSA-N 323.360 1.406 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H]2C[C@@]3(C(=O)OC)CO[C@@H]2C3)N=N1 2325898406 AUJUXJGTQQSGAP-JMSVASOKSA-N 319.361 1.179 30 50 DDEA COc1cc([C@H]2NC(=O)NC(C)=C2C(C)=O)cc(OC)c1OC 86506 GUVROHMRMDARPC-CQSZACIVSA-N 320.345 1.929 30 50 DDEA C=CCN1C(=O)NC(=O)[C@@H](Cc2ccc(OC)c(OC)c2)C1=O 133890 NNMGFXIYGXIDHC-LLVKDONJSA-N 318.329 1.127 30 50 DDEA biogenic,in-vitro Cc1cccc(C/N=C(/O)N[C@H]2CCO[C@@H]2c2nccn2C)n1 328629818 PFARELBPWNZSQF-KBPBESRZSA-N 315.377 1.657 30 50 DDEA Cn1ncnc1[C@H]1COCCN1c1ccc(C#N)cc1[N+](=O)[O-] 253419230 CVHHVGLXUYKQKU-CYBMUJFWSA-N 314.305 1.173 30 50 DDEA N#Cc1ccc(N2CC[C@@H](C(=O)NCc3cnc[nH]3)C2)c(F)c1 341938102 SUHRFLVTCFPHKQ-GFCCVEGCSA-N 313.336 1.563 30 50 DDEA CO[C@@H]1CN(Cc2cccc(C#N)c2F)C[C@H]1c1cn(C)nn1 886071761 GPLWBVGJKOAQBE-DZGCQCFKSA-N 315.352 1.440 30 50 DDEA CC1(C)OB(c2ccc(NN3CCOCC3)nc2)OC1(C)C 169745785 QBJANJDOISUFGP-UHFFFAOYSA-N 305.187 1.040 30 50 DDEA in-vitro C[C@]1(O)CCOC2(CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 1704342072 FJDDLZFQQBUZMN-HNNXBMFYSA-N 303.362 1.423 30 50 DDEA C/N=C1\S[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1C 13153503 NYXHPFHXLCHMOS-SUQMRRJOSA-N 319.386 1.777 30 50 DDEA C#CCCC1(CCNC(=O)c2cccc3c2oc(=O)n3C)N=N1 2325890932 DQOHWIDBSRAEJP-UHFFFAOYSA-N 312.329 1.827 30 50 DDEA C#CCCC1(CCC(=O)N[C@H](C)c2nnc3n2CCOC3)N=N1 2325899692 RIXYQDQKLZRRBI-LLVKDONJSA-N 316.365 1.341 30 50 DDEA CN1CCN(/C(O)=N/CCn2cccc2)C[C@@H]1c1ncc[nH]1 328627339 MRAHXCUATNNXRM-CYBMUJFWSA-N 302.382 1.114 30 50 DDEA C[C@]12CCN(C/C(O)=N/CC(=O)N3CCCC3)C[C@H]1C2(F)F 330257231 QOPIAGOJZLVOKC-RISCZKNCSA-N 315.364 1.542 30 50 DDEA N#Cc1ccc(S(=O)(=O)NCc2noc(C3CC3)n2)cc1 343102467 LAFDRYDWSFWKQY-UHFFFAOYSA-N 304.331 1.297 30 50 DDEA C=CCN1CCC[C@H]1C(=O)N1CCN(CC2CCCC2)CC1 584901438 IPAFXPMNGMKRDN-KRWDZBQOSA-N 305.466 1.971 30 50 DDEA CNc1cc(N2CCC[C@H]2CN=c2cc(C)c(C#N)c[nH]2)ncn1 1875265981 DPGUKINLWCCRKI-AWEZNQCLSA-N 323.404 1.596 30 50 DDEA Cn1cncc1[C@H]1C[C@@H](NC(=O)c2cccc(C#N)c2)CCO1 276484933 ZVFRQUCLDDAHQU-GOEBONIOSA-N 310.357 1.942 30 50 DDEA COC(=O)C(C(=O)OC)c1ncc(Br)cc1C#N 85477019 FRLUYRQJDNDOEF-UHFFFAOYSA-N 313.107 1.145 30 50 DDEA in-vitro Cc1nc(SCC(=O)N2CC[C@](C)(O)C2)c(C#N)c(C)c1C 170027602 YSRPLFRYGNLTLY-INIZCTEOSA-N 319.430 1.954 30 50 DDEA C=CCN(Cc1ccccc1OC)C(=O)CNC(=O)N(C)C 1506412788 FCKOAZCEZVHXSQ-UHFFFAOYSA-N 305.378 1.481 30 50 DDEA CC[C@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)C[C@@H](C)O1 110625259 DMTOOTJUFBUSCZ-MNOVXSKESA-N 312.366 1.885 30 50 DDEA CCN1CCN(/C(O)=N/Cc2cscn2)C[C@H]1c1ncc[nH]1 328644335 ZCUYVZMEWMZQTH-LBPRGKRZSA-N 320.422 1.659 30 50 DDEA Cc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)N 261597218 MRRAPVYKQBAYBV-JSGCOSHPSA-N 307.419 1.757 30 50 DDEA C=CCn1c(SCC(N)=O)nnc1-c1cccc(N(C)C)c1 6714452 YZMGTNDRYMYOIA-UHFFFAOYSA-N 317.418 1.775 30 50 DDEA C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC(C#N)CC1 142046369 PLOYVQISOVQFCH-LBPRGKRZSA-N 312.373 1.596 30 50 DDEA CN1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1 328635930 VDQIWPULCCNGPS-HOCLYGCPSA-N 309.373 1.704 30 50 DDEA N#Cc1cccc(OCCN2CCN([C@H]3CCC[C@H]3O)CC2)c1 363731572 SGLJPJZWJMOBRP-ZWKOTPCHSA-N 315.417 1.468 30 50 DDEA Cc1ccc(C#N)c(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)n1 160788164 UQWXLLWCIRWLQN-OAHLLOKOSA-N 313.405 1.180 30 50 DDEA C#Cc1ccc(NC[C@H]2CCCN2c2cc(NC)ncn2)nc1 1875275450 WBKKWQYSLLWHGH-CQSZACIVSA-N 308.389 1.976 30 50 DDEA COc1cc(C(=O)N[C@@H]2CCC[C@@H]2C(N)=O)cc(F)c1C#N 1875266243 ZOQQHOULBJZHHH-JOYOIKCWSA-N 305.309 1.090 30 50 DDEA Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)[C@@H]3CO3)no2)cn1 1875373268 XHQUMDYRTXEJGX-RYUDHWBXSA-N 317.349 1.313 30 50 DDEA Cn1cnnc1C[C@@]1(O)CCCN(c2cccc(F)c2C#N)C1 886065722 RQZZRGMPMQCBEY-INIZCTEOSA-N 315.352 1.400 30 50 DDEA CCN1CCN(/C(O)=N/CCn2cccc2)C[C@H]1c1ncc[nH]1 328625273 KOTOZIIZMZUTQV-AWEZNQCLSA-N 316.409 1.504 30 50 DDEA CC1(C)OB(c2ccc(CN3CCOCC3)cc2)OC1(C)C 169743696 JOIXYIWXEYXHHG-UHFFFAOYSA-N 303.211 1.818 30 50 DDEA in-vitro C#CCCC1(CCNC(=O)[C@H](CN)Oc2ccc(F)cc2)N=N1 2325900706 GOOUEFLHWDCOQA-AWEZNQCLSA-N 318.352 1.614 30 50 DDEA N#Cc1ccc(CN2CCO[C@H](Cn3cncn3)C2)c(F)c1 331742642 WQBWTTFQZLZUOE-AWEZNQCLSA-N 301.325 1.190 30 50 DDEA CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(C#N)c[nH]1 364360337 QYURFDBMHMKDGP-OAHLLOKOSA-N 308.341 1.199 30 50 DDEA C=CCOc1ccc(CN2CCO[C@]3(CNCCOC3)C2)cc1 72152723 LACIJDINAZFZPN-GOSISDBHSA-N 318.417 1.442 30 50 DDEA C[C@@H](Cn1cccn1)/N=C(/O)N1CCC2(CC1)CN=C(O)C2 329829031 SASZTIQKEOBINY-LBPRGKRZSA-N 305.382 1.628 30 50 DDEA C[C@@H]1[C@H](c2ccccc2)C(C#N)(C#N)[C@@]2(C#N)C(=O)N[C@@]1(N)[C@@H]2C 239378390 OQDDBYZZDVFWSE-VQJSHYKGSA-N 319.368 1.384 30 50 DDEA N#Cc1cccc(C(=O)N2CCN(c3ccncc3)C[C@@H](O)C2)c1 97619336 TYTLSPIEAQMTNN-QGZVFWFLSA-N 322.368 1.277 30 50 DDEA C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)O 630316383 CAEJMEQPBJGIGV-GFCCVEGCSA-N 316.313 1.062 30 50 DDEA O=C(CC1=C(c2ccccc2)CCC1=O)NCCn1ccnn1 952968047 JMFUSBURUSBZDH-UHFFFAOYSA-N 310.357 1.601 30 50 DDEA C=C(C)CS(=O)(=O)N1CCOc2c(C(=O)OC)cccc21 276587711 POJUZVOOYCQEKB-UHFFFAOYSA-N 311.359 1.578 30 50 DDEA C#C[C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)[C@H]1CCOC1 170616425 RBCDFRVBLFMCHX-JOYOIKCWSA-N 317.769 1.796 30 50 DDEA Cc1cc(C#N)nc(NCc2ccccc2Cn2cccn2)n1 408515565 BAJIWICLMLCYMG-UHFFFAOYSA-N 304.357 2.514 30 50 DDEA Cc1cc(NC(=O)[C@@H]2CCCO[C@H]2C(C)C)nn1CCC#N 408474392 UWAOYNQOSNHXTD-HIFRSBDPSA-N 304.394 2.495 30 50 DDEA C/N=C(/O)NCC(=O)N(C)C[C@H]1CCCc2sc(C)nc21 328626539 LVCQYBRYSDJFBX-SNVBAGLBSA-N 310.423 1.463 30 50 DDEA NC(=O)c1ccc[n+](CC(=O)c2cc3ccccc3oc2=O)c1 1815063 IBNHULABOVIOAR-UHFFFAOYSA-O 309.301 1.062 30 50 DDEA CO[C@@H]1C[C@@H](CO)N(Cc2cccc(OCCCC#N)c2)C1 343990574 UMWXSCRTYQTQQO-DOTOQJQBSA-N 304.390 1.951 30 50 DDEA CN1CCN(Cc2ccc(C#CC(C)(C)O)s2)C[C@@H]1CCO 20997434 BMZSSCYIDVUSNE-AWEZNQCLSA-N 322.474 1.369 30 50 DDEA Cn1cc(CN[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1C#N 372775938 KFXDESUIHHUEPF-AWEZNQCLSA-N 323.400 1.364 30 50 DDEA C=CC[C@@]1(CO)CCCN(c2cncc(C(=O)N(C)C)n2)C1 91616981 ZFYKDLBLJDOKCO-MRXNPFEDSA-N 304.394 1.333 30 50 DDEA N#Cc1c(F)ccc(NS(=O)(=O)C[C@H]2CCCCO2)c1N 585136945 ZOHBVFNTSZERBT-SECBINFHSA-N 313.354 1.590 30 50 DDEA C#CCn1cc(N=c2[nH]nc(-c3cccc(OC)c3)n2CC)cn1 1875309330 IDEQCHUMPIBWGC-UHFFFAOYSA-N 322.372 1.969 30 50 DDEA O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[C@@H]1CO1 1875372509 HGMHBDGBMXDCKO-JSGCOSHPSA-N 315.291 1.922 30 50 DDEA C=CCOc1ccc(C=c2sc3ncnn3c2=O)cc1OC 254500868 KBDSXCZZYZCBJG-UHFFFAOYSA-N 315.354 1.272 30 50 DDEA C=CCn1nnc(NC(=O)c2ccccc2Br)n1 10010699 HINYRRLOMJFEIM-UHFFFAOYSA-N 308.139 1.874 30 50 DDEA Cc1noc([C@H](/N=C(/O)c2cnc(C)[nH]2)C2CCOCC2)n1 328610962 JTOSANIYNAEJLB-GFCCVEGCSA-N 305.338 1.882 30 50 DDEA CCOC(=O)c1ccc(N2CC(Nc3ccc(C#N)cn3)C2)nc1 253427106 WBIAGMDJDJMYQJ-UHFFFAOYSA-N 323.356 1.826 30 50 DDEA N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC2CCOCC2)cc1 219797658 TUSXFJYQJVYJQZ-IAGOWNOFSA-N 302.374 1.863 30 50 DDEA Cc1nc(C(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)ccc1C#N 285451292 KTTRMBJOHPQEHY-WFASDCNBSA-N 311.345 1.255 30 50 DDEA N#Cc1c(F)cccc1N1CC[C@H](S(=O)(=O)N2CCCC2)C1 133708261 KXSKEUDZTHKAOF-LBPRGKRZSA-N 323.393 1.702 30 50 DDEA CCC#CCN1CCC[C@H](CNC(=O)c2c(C)ncnc2C)C1 822523036 MGCIQTTXGNVDGB-MRXNPFEDSA-N 314.433 1.949 30 50 DDEA COc1ccc(/C=C/C(=O)c2cnn(C)n2)c(OC)c1OC 585136068 OSNVDBRYVQDVIJ-FNORWQNLSA-N 303.318 1.737 30 50 DDEA C=CCOc1ccc(/C=C/C(=O)N(CC)CC(N)=O)cc1OC 189662406 BKYUOZLUUHCVFA-VQHVLOKHSA-N 318.373 1.607 30 50 DDEA C=CCNC(=O)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 12459622 UYJMCKOEJGEFQO-AWEZNQCLSA-N 305.353 1.454 30 50 DDEA CN(C)C(=O)C[C@]1(O)CCCN(Cc2cccc(C#N)c2)C1 591631368 OFIDIVBXGMYHJP-QGZVFWFLSA-N 301.390 1.363 30 50 DDEA N#Cc1ccc(N2CCN(C(=O)[C@@]34CCCN(CC3)C4)CC2)cc1 826779314 SCOMDSPGVKTBKO-IBGZPJMESA-N 324.428 1.693 30 50 DDEA COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1ccccc1 101992500 MJVVGYPTALETFP-GMXABZIVSA-N 313.353 1.942 30 50 DDEA CN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@H]1CCOC1 253432270 XOJUJLWHFIRWGF-AWEZNQCLSA-N 315.373 1.914 30 50 DDEA CCOC(=O)CC(C)(CC(=O)OCC)[C@H](C#N)C(=O)OCC 1727253 FWPIKPORGOSSOV-LLVKDONJSA-N 313.350 1.602 30 50 DDEA CN(C)S(=O)(=O)N(CC#N)CCN1CCCc2ccccc21 332688718 GSJAGIWZYZEQHS-UHFFFAOYSA-N 322.434 1.071 30 50 DDEA O=[S@+]1(O)C[C@H]2NC(=S)N(Cc3ccccc3Cl)[C@H]2C1 334158563 VJSHBDSKZLBPOD-MNOVXSKESA-P 317.843 1.753 30 50 DDEA CC(=O)N1CCO[C@H]2CCN(c3c(F)cc(C#N)cc3F)C[C@H]21 886051481 BWHNPOVYVKYXHU-CABCVRRESA-N 321.327 1.662 30 50 DDEA C[C@H]1[C@H](C(N)=O)CC[C@@H](C)N1C(=O)CNc1ccc(C#N)cc1 585125675 AUGXPCKWWIKQFS-TYNCELHUSA-N 314.389 1.471 30 50 DDEA C=CCNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 15075719 WVSJXGJSFYMMSM-LBPRGKRZSA-N 307.781 1.926 30 50 DDEA N#Cc1ccc(CNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)nc1 854475200 MTBWFUODJZZYGP-RRFJBIMHSA-N 312.373 1.264 30 50 DDEA C#CCCC1(CCNC(=O)c2cnc(C3OCCO3)s2)N=N1 2325891608 QIKXRCIHIKCPDF-UHFFFAOYSA-N 320.374 1.884 30 50 DDEA C#CCCC1(CCNC(=O)c2cnn3c2OCCCC3)N=N1 2325900360 VGBBAZCLYIQVIZ-UHFFFAOYSA-N 301.350 1.751 30 50 DDEA C#CCCC1(CCC(=O)N[C@]2(C(=O)O)C[C@H](O)C23CCC3)N=N1 2325900880 MOJFDSUXVTZXRT-ZBEGNZNMSA-N 319.361 1.217 30 50 DDEA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C#N)cc2)C1 6746540 NWCWRYYEZARWOO-ZDUSSCGKSA-N 321.402 1.558 30 50 DDEA COC[C@](C)(C#N)NC(=O)c1ccc(N2CCC(C)CC2)nc1 137231943 URUMFPPHLUAYJP-KRWDZBQOSA-N 316.405 1.976 30 50 DDEA CN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(C#N)cn2)C1 328654225 XIFUZVMPXAXBGU-OAHLLOKOSA-N 314.389 1.136 30 50 DDEA N#Cc1ccc(N[C@H]2CCN(c3ccccc3C(N)=O)C2)nc1 377637398 QWFFHASCMDMUSH-ZDUSSCGKSA-N 307.357 1.743 30 50 DDEA CC(=O)c1c(C)nn(CC(=O)N2CCC[C@](C)(C#N)C2)c1C 221294999 VRBNQIKXIYVTGL-MRXNPFEDSA-N 302.378 1.855 30 50 DDEA C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CC(C)(C)[C@H]1C(=O)O 1875286104 FUQRVRQSYPVYNW-ZWNOBZJWSA-N 302.330 1.647 30 50 DDEA COC(=O)[C@H]1CCc2nnc(COc3ccc(C#N)cc3)n2C1 601044463 NOUNKXMCGKZPRY-LBPRGKRZSA-N 312.329 1.464 30 50 DDEA C#CCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl 4702101 VYOZQQYBZXYSJB-UHFFFAOYSA-N 320.757 1.266 30 50 DDEA Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CS(C)(=O)=O 170017359 UTOHIDHWYSPJRX-UHFFFAOYSA-N 310.224 1.839 30 50 DDEA N#CCCN(CCC#N)/[N+](O)=N/N1C(=O)c2ccccc2C1=O 225293796 QTWWTKIZCQLGTC-UHFFFAOYSA-N 313.297 1.096 30 50 DDEA C[C@]1(NC(=S)Nc2ccc(O)cc2)CC[S@@+](=O)(O)C1 334159545 WVVDWTYTJJRAMR-LBPRGKRZSA-O 301.413 1.814 30 50 DDEA C#CCCC1(CCC(=O)N2CCO[C@H]3CCN(C)C[C@H]32)N=N1 952881182 LKTXQGASPRDCPY-KGLIPLIRSA-N 304.394 1.274 30 50 DDEA C#CCCC1(CCC(=O)N2CCO[C@@H](Cn3cccn3)C2)N=N1 952881743 PRXKGHLSTUSJCE-CQSZACIVSA-N 315.377 1.466 30 50 DDEA C[C@@H]1CN(CC(=O)NCC#N)c2cc(Br)ccc2O1 193224563 SSKHVPJIJOGGJD-SECBINFHSA-N 324.178 1.676 30 50 DDEA N#Cc1cc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)ccn1 193821529 OJLTVRVOXCNHQI-UHFFFAOYSA-N 318.340 1.711 30 50 DDEA Cc1cc(N2CC(Nc3cccc(C#N)c3)C2)n2ncnc2n1 585118155 DVLRJSSQJHWZKA-UHFFFAOYSA-N 305.345 1.605 30 50 DDEA C=C(C)Cn1c(CC(C)(C)O)nnc1N1C[C@H](C)O[C@H](C)C1 1122644009 WTCLORBWIAFVBQ-BETUJISGSA-N 308.426 1.781 30 50 DDEA CN1CCc2ccc(C(=O)N3CCCn4nc(C#N)cc4C3)nc21 2100557675 YTEFNBVUDRQAJS-UHFFFAOYSA-N 322.372 1.188 30 50 DDEA COc1ccc(Cl)cc1CN(CC#N)S(=O)(=O)N(C)C 283525996 LVSSLCPLSCOIKB-UHFFFAOYSA-N 317.798 1.481 30 50 DDEA CCOC(=O)CN1CCCN(c2ccc(F)cc2C#N)CC1 253433197 TVMGGJBVVRQJNX-UHFFFAOYSA-N 305.353 1.773 30 50 DDEA Cn1cc([C@@H]2CCCN2CC(=O)N[C@](C)(C#N)C2CC2)cn1 245862842 RVHRUWMDKYUPRT-GOEBONIOSA-N 301.394 1.365 30 50 DDEA C=CCN(CC(=O)O)S(=O)(=O)c1cccnc1C(F)(F)F 287432132 GTHGORBECYGXAH-UHFFFAOYSA-N 324.280 1.362 30 50 DDEA CC(C)N1C(=O)[C@@]2(CCCNC2)NC1=NC(=O)OC(C)(C)C 328578150 BBUSRPAAJLOXRA-HNNXBMFYSA-N 310.398 1.240 30 50 DDEA O=[S@+]1(O)C[C@H]2NC(=S)N(c3ccc(F)c(Cl)c3)[C@@H]2C1 334158203 YBHZVLVARKWXHZ-NXEZZACHSA-P 321.806 1.897 30 50 DDEA N#Cc1c(F)cccc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 299739107 KOPONFSQSDJALD-JTQLQIEISA-N 314.324 1.229 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H](c2cncn2C)N(C)C)N=N1 1875381174 MJPSZTFRAHGPOE-CYBMUJFWSA-N 302.382 1.105 30 50 DDEA C#C[C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)[C@@H]1CCOC1 170616423 RBCDFRVBLFMCHX-BXKDBHETSA-N 317.769 1.796 30 50 DDEA CC1(C)OB(c2cnc(N3CCOCC3)c(Cl)c2)OC1(C)C 206191837 CMSMHNKIKMBIPI-UHFFFAOYSA-N 324.617 1.871 30 50 DDEA N#C[C@@H]1CN(C(=O)CCOCc2ccccc2)CCN1C1CC1 363079713 GLLIRFHEQBESKV-QGZVFWFLSA-N 313.401 1.792 30 50 DDEA Cc1cnn(C2CCN(C(=O)N=c3ccc(C#N)c[nH]3)CC2)c1 2325761827 NEGIHAXDDFXXQM-UHFFFAOYSA-N 310.361 1.749 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H]2Cc3ccc(OC)nc3N2)N=N1 2325900872 MLRHOJJVRWHBMA-LBPRGKRZSA-N 313.361 1.509 30 50 DDEA C[C@@H](CC(N)=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 225798992 GKHMBDLHKXQJFV-JTQLQIEISA-N 312.291 1.685 30 50 DDEA C[C@@H]1CN(C2CC2)C[C@@H]1/N=C(/O)c1cn(C)nc1[C@@H]1CCOC1 328634295 TZQBOZSLUHOAFE-JMSVASOKSA-N 318.421 1.711 30 50 DDEA Cn1cc([C@H]2OCC[C@@H]2/N=C(/O)c2ccn3cncc3c2)cn1 328645423 ZQKZXQGLECUEEY-LSDHHAIUSA-N 311.345 1.903 30 50 DDEA COc1ccc(NC(=O)NCCCN2CCCC2=O)cc1C#N 95498941 WTPXDFKFPZYQSL-UHFFFAOYSA-N 316.361 1.701 30 50 DDEA N#Cc1nccnc1N1CCC([C@@H]2CC[C@H](C(=O)O)O2)CC1 1775960564 SKUHMAMGDXVYCL-QWHCGFSZSA-N 302.334 1.197 30 50 DDEA CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2cccnc2)cc1 237417 FKKKKIKMPVFUKH-MHWRWJLKSA-N 318.358 1.352 30 50 DDEA CC1(C)OB(c2csc(CN3CCOCC3)c2)OC1(C)C 169743733 AMUMGAXTCHBNPU-UHFFFAOYSA-N 309.240 1.880 30 50 DDEA C=CCN1CC(=O)N(c2cc(C(=O)NC3CC3)ccc2C)C1=O 900223217 POQMVPKMRVPRKZ-UHFFFAOYSA-N 313.357 1.842 30 50 DDEA C=C(C)Cn1c(SCC(C)C)nc2c1c(=O)n(C)c(=O)n2C 380566 MDYMGTPVFBXBPU-UHFFFAOYSA-N 322.434 1.758 30 50 DDEA Cc1nc([C@@H](C)NC(=O)c2cccc(C#CC(C)(C)O)c2)n[nH]1 67868613 ZIWNICAINHEWRS-LLVKDONJSA-N 312.373 1.727 30 50 DDEA N#Cc1cnc(N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cn1 128150358 QNRIZDVRVLHDCF-RISCZKNCSA-N 302.284 1.939 30 50 DDEA CN(CC1CC1)C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 328622079 BALVAVPEMOTRRT-AWEZNQCLSA-N 302.378 1.069 30 50 DDEA CN(CC1CC1)C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 328622080 BALVAVPEMOTRRT-CQSZACIVSA-N 302.378 1.069 30 50 DDEA CCn1ccnc1[C@H]1OCC[C@@H]1N/C(O)=N/Cc1cscn1 328644979 ZNUICSMBXPXDOC-RYUDHWBXSA-N 321.406 1.893 30 50 DDEA COCCOc1ccc(CN2CCN(C3CC3)[C@@H](C#N)C2)cc1 371328430 VMGDGBKOINFSSP-KRWDZBQOSA-N 315.417 1.884 30 50 DDEA CC(C)(C#N)c1ccccc1CN1CC[C@](O)(c2c[nH]nn2)C1 284577036 IJHCYPBNQUSRHZ-QGZVFWFLSA-N 311.389 1.699 30 50 DDEA O=[S@@+]1(O)C[C@@H]2[C@H](C1)NC(=S)N2Cc1ccc(F)cc1 334158501 RQZZBMMJOPXDNG-WDEREUQCSA-P 301.388 1.239 30 50 DDEA C=CCn1c(=O)c(CNCCn2cncn2)cc2cc(C)ccc21 299756408 HWFPYSZCELNONY-UHFFFAOYSA-N 323.400 1.877 30 50 DDEA C#CCCCc1noc(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 1875321202 YADDBDZIZQKKRA-UOVKNHIHSA-N 311.341 1.333 30 50 DDEA C#CCOCCOCCOCCOCCC(=O)OC(C)(C)C 83253958 BEQLPTKRFULADF-UHFFFAOYSA-N 316.394 1.418 30 50 DDEA in-vitro CN1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1 169743774 CERIBIOLVVNLDM-UHFFFAOYSA-N 303.215 1.133 30 50 DDEA in-vitro C#C[C@@](C)(CC)NS(=O)(=O)c1ccc(F)c(NC(C)=O)c1 585114501 GABHUNUBZMFVFR-AWEZNQCLSA-N 312.366 1.864 30 50 DDEA CCOc1cc(/C=N/N=C2/NC(=O)CS2)cc(Cl)c1O 5564928 UKKFVFOAZTXWGA-LHHJGKSTSA-N 313.766 1.997 30 50 DDEA N#Cc1ncc(C(F)(F)F)cc1N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 853733047 QBYADCXOPBUCIY-CYZMBNFOSA-N 323.278 1.955 30 50 DDEA N#Cc1cc2c(=O)n(CCCCN3CCCC3)ccc2[nH]c1=O 67982794 VFKAUZMPZCSUPA-UHFFFAOYSA-N 312.373 1.437 30 50 DDEA CN1CCN(Cc2nnc(S)n2-c2cccc(C#N)c2)CC1 22036001 HQPMUWFLYSBSPT-UHFFFAOYSA-N 314.418 1.175 30 50 DDEA C[C@H](C(=O)N[C@@H](C#N)[C@H]1CCOC1)N1CCc2ccccc2C1 241317026 LXESZRAGCFGLRX-COXVUDFISA-N 313.401 1.478 30 50 DDEA N#Cc1cccnc1N1CCC[C@@H](CNC(=O)c2ccon2)C1 826795776 UFQCHTGCXWYGBB-LBPRGKRZSA-N 311.345 1.588 30 50 DDEA C[C@H]1CN(C(=O)COc2ccc(C#N)cc2)C[C@H](C)S1=O 331095800 AEANNSVKRQJGLZ-RYUDHWBXSA-N 306.387 1.305 30 50 DDEA N#Cc1c(F)cccc1N1CCN(CCn2cncn2)CC1 332184466 WEZMZESVKGYDGR-UHFFFAOYSA-N 300.341 1.111 30 50 DDEA N#Cc1ccccc1NC1CCN(C(=O)CCC(N)=O)CC1 912535198 JGFFAABHMZPTSR-UHFFFAOYSA-N 300.362 1.227 30 50 DDEA CN(C[C@@H]1CCn2ccnc2C1)/C(O)=N/C[C@@]1(C)CCCO1 328617186 CKHFTHIYFSFNHQ-CZUORRHYSA-N 306.410 1.860 30 50 DDEA C[C@@H]1CN(c2ccc(F)cc2C#N)C[C@H]1C(=O)N1CCOCC1 284526324 FUYWTHMTKHOXAL-IUODEOHRSA-N 317.364 1.628 30 50 DDEA C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CO)C1CCOCC1 239722370 CCNKIIFLZJFNON-LRDDRELGSA-N 318.373 1.229 30 50 DDEA Cc1nc(N2CCC(c3n[nH]c(=O)o3)CC2)c(Cl)cc1C#N 292336423 BCBKCEHGJPBPLF-UHFFFAOYSA-N 319.752 1.975 30 50 DDEA Cc1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc(O)n1 183202483 HSJQZTIGPGIOBL-LBPRGKRZSA-N 311.345 1.904 30 50 DDEA CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C)c2ccccc21 109822901 BYZOZMOBWDJKKT-QGZVFWFLSA-N 300.406 1.997 30 50 DDEA CCN1CCN(C(=O)c2ccc(C#N)cn2)C[C@H]1c1ncc[nH]1 328623449 JEFBVBANYAJGGB-AWEZNQCLSA-N 310.361 1.195 30 50 DDEA Cc1c(S(=O)(=O)N2CC(O)(CC#N)C2)c2ccccc2n1C 252488747 IXVPCDGLPAHVDZ-UHFFFAOYSA-N 319.386 1.136 30 50 DDEA CN(C)[C@H]1C[C@H](C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 2325784896 SFKXAZXEQXPDMR-ULQDDVLXSA-N 313.401 1.798 30 50 DDEA C#CCN1C(=O)[C@@](O)(CC(=O)c2ccncc2)c2ccccc21 4543419 HMLPDAQTQDWRKF-GOSISDBHSA-N 306.321 1.522 30 50 DDEA CC[C@H](/N=C(/O)c1sccc1S(=O)(=O)N(C)C)[C@@H](C)O 331314906 CSZKEWYJYRIBRN-BDAKNGLRSA-N 320.436 1.462 30 50 DDEA N#CCc1cccc(C(=O)N(CC(=O)O)C2CCOCC2)c1 362682981 IWYIZKJMRXBGSU-UHFFFAOYSA-N 302.330 1.458 30 50 DDEA Cc1cc(C)c(C#N)c(SCC(=O)N[C@H]2CCSC2=O)n1 266110207 MMHXZFLAWQONNK-NSHDSACASA-N 321.427 1.811 30 50 DDEA C=CC[C@@]1(CO)CCCN(C(=O)C2CCN(CCOC)CC2)C1 91706727 FJOLAJFSYGDXCX-GOSISDBHSA-N 324.465 1.522 30 50 DDEA CC(=O)N1CCO[C@H]2CCN(c3nccc(C)c3C#N)C[C@H]21 886051601 NRZISDLWRGSQHU-CABCVRRESA-N 300.362 1.088 30 50 DDEA C#CCN(C)S(=O)(=O)c1cc(OC)ccc1Br 192948023 WQMRXJVKKZHQSI-UHFFFAOYSA-N 318.192 1.711 30 50 DDEA CCNc1ncc(S(=O)(=O)N[C@@H](C)CC#N)cc1Cl 1615045859 BVZQMRBLTFSRRZ-QMMMGPOBSA-N 302.787 1.747 30 50 DDEA N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[C@H]32)c(NCCO)c1 1615046653 WQOLBPDOLJRQCW-TZMCWYRMSA-N 321.402 1.135 30 50 DDEA C=CCNS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 13677205 OHMMWCUTXNMKNM-UHFFFAOYSA-N 312.391 1.298 30 50 DDEA C[C@H](CC(N)=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 225799014 GKHMBDLHKXQJFV-SNVBAGLBSA-N 312.291 1.685 30 50 DDEA Cn1ccnc1C[C@@H]1CCCN(C(=O)C2(C#N)CCOCC2)C1 120229993 RTZPGZKCBKBNOO-AWEZNQCLSA-N 316.405 1.522 30 50 DDEA C/N=C(/O)c1ccc(OC)c(NC(=O)[C@H]2CCCN2C(C)=O)c1 330788682 RCCMFLOWZVHJER-CYBMUJFWSA-N 319.361 1.579 30 50 DDEA C=C[C@H](C)[C@H](OCOC)[C@@H]1O[C@@H]1C(=O)CO[C@@H]1CCCCO1 216531892 RABFALAJFBIISA-HSZNGYFJSA-N 314.378 1.677 30 50 DDEA N#Cc1ccc(CC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cc1 286268957 LUAZOJZVVHJYNX-BRWVUGGUSA-N 314.385 1.489 30 50 DDEA Cc1oc(C#N)cc1C(=O)N[C@H]1CCCN(c2ccnn2C)C1 239636986 BHZOJUWGVGVDNJ-LBPRGKRZSA-N 313.361 1.592 30 50 DDEA N#Cc1c(F)cccc1N1CCN(Cc2cnns2)CC1 289322936 KFHXUEDWEABFDE-UHFFFAOYSA-N 303.366 1.871 30 50 DDEA CN1CCC(O)(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 675050733 RCVXXSZDFNOKTJ-UHFFFAOYSA-N 317.238 1.899 30 50 DDEA Cc1noc([C@@]2(C(F)(F)F)CCN(CCOCCC#N)C2)n1 952892267 MQKXHOUCKFPOIF-GFCCVEGCSA-N 318.299 1.814 30 50 DDEA CCN1C(=O)C[C@@H](CNc2nccnc2C#N)[C@@H]1c1cccnc1 886044997 VGACBYBORFDMPG-BBRMVZONSA-N 322.372 1.765 30 50 DDEA N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)c2ccnnc2)cc1 1565506413 XKDBPYUCHHDCRE-HOTGVXAUSA-N 324.340 1.315 30 50 DDEA COC(=O)C1=C(C)N/C(=C/c2cc(OC)ccc2OC)C1=O 4094867 HNVWIXDWBCNJMR-XYOKQWHBSA-N 303.314 1.664 30 50 DDEA N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CCCn2ncnc21 125953814 DZPMNNJHLDEMDN-NSHDSACASA-N 321.337 1.102 30 50 DDEA Cn1[nH]c([C@H]2CCCN2C(=O)Cc2cccc(C#N)c2)nc1=N 593680168 SIKOTNSQJJLCDY-CYBMUJFWSA-N 310.361 1.006 30 50 DDEA N#Cc1cc(SCCC(=O)O)c(N2CCOCC2)cc1C#N 4624155 DJUPOBLNXRNIHP-UHFFFAOYSA-N 317.370 1.833 30 50 DDEA C#CCCC1(CCNC(=O)Cn2cnc(C(F)(F)F)n2)N=N1 2325891695 WESKOBURJFDHSZ-UHFFFAOYSA-N 314.271 1.379 30 50 DDEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc3c(c1)OCO3)[C@H]1C=C[C@H]2CC1 100175606 QGOQLNLJMZZGDZ-NSSOHSNASA-N 324.336 1.946 30 50 DDEA C[C@@H]1[C@H](Nc2cncc(C#N)n2)CC(=O)N1Cc1ccccc1 420625280 KWRWAFFQUWURHJ-IUODEOHRSA-N 307.357 1.950 30 50 DDEA N#C[C@H]1C(=O)NC(=O)[C@H](C#N)C12CCN(Cc1ccccc1)CC2 1669017 QQUSQTIEZXJTMQ-GJZGRUSLSA-N 322.368 1.205 30 50 DDEA C=C(C)CN(CC)c1nnnn1C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1 952880812 XNHHJABFFMSUBS-IJEWVQPXSA-N 321.425 1.802 30 50 DDEA CC#CC(=O)Nc1ccc(OCC(F)(F)F)c(C(N)=O)c1 1875363061 DQQXTMJVZFTQRX-UHFFFAOYSA-N 300.236 1.688 30 50 DDEA CC(C)C#CC(=O)N1CC(C)(c2nnc(-c3cn(C)cn3)o2)C1 1775960553 RWIMJZDNVBVWMW-UHFFFAOYSA-N 313.361 1.229 30 50 DDEA N#Cc1c[nH]c(C(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)c1 585780916 NUHJMODPZXOWBU-ZDUSSCGKSA-N 310.361 1.660 30 50 DDEA CCC[C@H]1COC[C@H]2CN(C(=O)c3cccc(C#N)c3)CCN12 1529139292 OVDIBABUKNNUPO-DLBZAZTESA-N 313.401 1.884 30 50 DDEA CN1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1 169968939 KBTSSYBAAQRNMS-UHFFFAOYSA-N 303.215 1.133 30 50 DDEA COc1nn([C@@H]2CCCCO2)cc1B1OC(C)(C)C(C)(C)O1 2325903859 NXBPRVQLFJSFJG-LBPRGKRZSA-N 308.187 1.890 30 50 DDEA C=CCn1c(=O)c(C(=O)NCCCO)c(O)c2ccccc21 100270316 SSERCHIARDPHDI-UHFFFAOYSA-N 302.330 1.005 30 50 DDEA CCN1CCN(/C(O)=N/CC2(OC)CCC2)C[C@H]1c1ncc[nH]1 328621243 HPKQIBFJIBVTSU-ZDUSSCGKSA-N 321.425 1.571 30 50 DDEA Cc1nc2ccccc2n1CC(=O)N1CCN(C2CC2)[C@H](C#N)C1 363080161 VOSGTFQNNNGAPO-OAHLLOKOSA-N 323.400 1.544 30 50 DDEA COc1cccc([C@@H]2C[C@@H](O)CN2c2nc(C)cc(C#N)n2)c1 285079588 PQRFLCOYMFLOQR-ZBFHGGJFSA-N 310.357 1.978 30 50 DDEA N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CCC(F)(F)F 160012687 ZRTMWCRPMLCFFB-UHFFFAOYSA-N 324.255 1.845 30 50 DDEA Cc1cccnc1C(F)(F)C(=O)N1CCN(C(=O)CC#N)CC1 294782382 AFECFQLIQDVGOZ-UHFFFAOYSA-N 322.315 1.066 30 50 DDEA CC#CC(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1 1875363123 RGYGDDASOMQOCY-DLBZAZTESA-N 305.466 1.805 30 50 DDEA N#Cc1cccc(S(=O)(=O)N2CC[C@H](c3ncccn3)C2)c1 1434641058 ANJCKFKYJAGXBY-ZDUSSCGKSA-N 314.370 1.526 30 50 DDEA CCS(=O)(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169935899 SVPDWDHXJAXYFO-UHFFFAOYSA-N 311.212 1.747 30 50 DDEA in-vitro N#Cc1ccc([N+](=O)[O-])cc1N1CCO[C@H](C(=O)C2CC2)C1 170598740 CLSVWOJMLVWPTG-AWEZNQCLSA-N 301.302 1.651 30 50 DDEA COc1ccc(/C=N/NC2=NS(=O)(=O)c3ccccc32)cc1 84531 XPROMGDXJNSRLM-MHWRWJLKSA-N 315.354 1.768 30 50 DDEA Cc1cc(C)nc(/N=C(\N)NC2=NN(c3ccccc3)C(=O)C2)n1 9186926 RBIRPYXPPUKCFI-UHFFFAOYSA-N 323.360 1.380 30 50 DDEA Cc1cc(C)n2c(CN3CCN(C4CC4)[C@H](C#N)C3)cnc2n1 371327146 LVPAEUPURCOADU-OAHLLOKOSA-N 310.405 1.518 30 50 DDEA Cc1noc([C@@H]2CN(c3cccc(F)c3C#N)CCN2C)n1 284661396 WAHKJGABKTXNHZ-AWEZNQCLSA-N 301.325 1.882 30 50 DDEA C=CCNC(=O)[C@H](C)N1CCCN(C(=O)c2ccco2)CC1 363458200 ZASWLFUIBIUIJE-ZDUSSCGKSA-N 305.378 1.118 30 50 DDEA C#CCCC1(CCC(=O)N2CCN([C@H]3CCOC3)CC2)N=N1 952881576 ODHSLKCBNLIXCK-AWEZNQCLSA-N 304.394 1.275 30 50 DDEA C#CCCC1(CCC(=O)N2CC(OCc3nc(C)no3)C2)N=N1 952883055 WEPOJHFMYCLLEU-UHFFFAOYSA-N 317.349 1.461 30 50 DDEA CCON=C[C@@H]1C(=O)CC(C)(C)[C@@](Cl)(C(=O)OC)C1=O 954193952 SIWQFKOPRRMTNM-OQPBUACISA-N 303.742 1.344 30 50 DDEA C#CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 170619221 PFBRVRCOGHYQIF-UHFFFAOYSA-N 305.315 1.397 30 50 DDEA CN(CCC#N)C(=O)CCN1C[C@H](O)C[C@@H]1c1cccc(F)c1 281857631 NYIDMIRWGDDGCO-HZPDHXFCSA-N 319.380 1.696 30 50 DDEA CCn1ccnc1[C@@H]1OCC[C@H]1CNc1nc(C)cc(C#N)n1 596469230 POJZWURSUHBBDD-GXTWGEPZSA-N 312.377 2.063 30 50 DDEA N#Cc1ccc([C@H](C(N)=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 239653691 BKUBXNGSBRBEFP-JZXOWHBKSA-N 313.401 1.712 30 50 DDEA C#CCCC1(CCNC(=O)c2ccc(OCC(=O)O)cc2)N=N1 2325900736 HUHDGCXLCVLNFT-UHFFFAOYSA-N 315.329 1.845 30 50 DDEA C=C(C)Cn1c(NCc2ccco2)nc2c1c(=O)[nH]c(=O)n2C 79583 UGTPMKOVQZQPKA-UHFFFAOYSA-N 315.333 1.205 30 50 DDEA Cc1nnsc1C/N=C(/O)N1C[C@H](N2CCCC2)C[C@@H]1C 330261227 OYOLUKPMNMAXQH-CMPLNLGQSA-N 309.439 1.819 30 50 DDEA CCN1CCN(C(=O)c2cccc(C#N)c2)C[C@H]1c1nccn1C 328626119 LJPSIMMMCKOVQO-INIZCTEOSA-N 323.400 1.811 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@H]2Cn2cncn2)N=N1 952879897 CALUKYVZNHIWGF-ZDUSSCGKSA-N 300.366 1.625 30 50 DDEA CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 190581431 ICYRHILMJQNZDG-OAHLLOKOSA-N 323.400 1.875 30 50 DDEA CN1CCN(C(=O)C(F)(F)C(F)(F)OC(F)(F)F)CC1 19535720 DUJFMMNAHVQSBJ-UHFFFAOYSA-N 312.185 1.525 30 50 DDEA CCOC(=O)c1sc2ncn(/N=C/N(C)C)c(=O)c2c1C 4070996 DHWZWBARMASKJP-VIZOYTHASA-N 308.363 1.296 30 50 DDEA N#Cc1ccc([C@H](C(N)=O)N2C[C@@H](O)CC3(CCCC3)C2)cc1 2325772039 OQGZIBGWOJJRQI-JKSUJKDBSA-N 313.401 1.712 30 50 DDEA COc1ccc(C(=O)O/N=C(\N)c2ccncc2)cc1[N+](=O)[O-] 4913720 IXXQCIVDYDUORC-UHFFFAOYSA-N 316.273 1.476 30 50 DDEA Cn1cc([C@H]2OCCC[C@@H]2/N=C(/O)COC[C@H]2CCCO2)cn1 328630242 PQMUQGVWKXGUOL-IJEWVQPXSA-N 323.393 1.792 30 50 DDEA CNS(=O)(=O)c1cc(/C(O)=N/[C@@]2(C)CCCOC2)co1 330636349 VFXHEKLIZXCUSW-LBPRGKRZSA-N 302.352 1.061 30 50 DDEA Cc1noc([C@@H]2CN(Cc3cc(C#N)n(C)c3)CCN2C)n1 285472950 LCEQYAQNBFLFSY-AWEZNQCLSA-N 300.366 1.077 30 50 DDEA N#Cc1ccc(N2CCC(NCCO)CC2)c(Br)c1 290934300 KJTPKYDBPVXQLP-UHFFFAOYSA-N 324.222 1.871 30 50 DDEA COc1ccc(CN2C(=S)N[C@@H]3C[S@@+](=O)(O)C[C@H]32)cc1 334158156 UVOMXALCIQQGBS-VXGBXAGGSA-P 313.424 1.109 30 50 DDEA C=C(C)C(C)(C)C(=O)Nc1cc(S(N)(=O)=O)ccc1NC 1875275548 PRVKDNJAFUMBSL-UHFFFAOYSA-N 311.407 1.917 30 50 DDEA Cc1cc(C#N)ccc1C(=O)N1CCN(C)[C@H](c2nccn2C)C1 275689620 QUMOMPOSKXXUFW-INIZCTEOSA-N 323.400 1.729 30 50 DDEA N#Cc1cc(C(=O)N2Cc3cnnn3Cc3ccccc32)ccn1 194301498 FLOHESHJPHLXDX-UHFFFAOYSA-N 316.324 1.753 30 50 DDEA CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cc2cncn2C)C1 585125660 AQNJTYQOCJMNCA-MRXNPFEDSA-N 323.400 1.572 30 50 DDEA N#Cc1cccc(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)c1 685939964 ZILSADFPSMRSBJ-CQSZACIVSA-N 302.330 1.415 30 50 DDEA CCOC(=O)C(C)(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1 201491014 FIXNVGDENQNXPD-UHFFFAOYSA-N 308.187 1.481 30 50 DDEA in-vitro N#Cc1ccc(OCCNC(=O)N2C[C@@H](F)C[C@H]2CO)cc1 347464951 PHCIIXAADVAOJR-STQMWFEESA-N 307.325 1.051 30 50 DDEA CCN(CC)CC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 266424309 SNSQWNMDPBSFAN-UHFFFAOYSA-N 318.396 1.688 30 50 DDEA CCn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)COC[C@H]1CCCO1 328625792 LBUNKOYHSMTNMY-IPYPFGDCSA-N 323.393 1.885 30 50 DDEA Cc1cnn([C@@H]2CCN(C(O)=Nc3cn(C)c(=O)cc3C)C2)c1 329521923 PDFZYNBQIJCNIS-CYBMUJFWSA-N 315.377 1.691 30 50 DDEA CC(C)(C)C[C@H](O)CC(=O)N1CCC(n2cnc(C#N)n2)CC1 366253810 GAQCKPIBKCPUAL-CYBMUJFWSA-N 319.409 1.500 30 50 DDEA N#Cc1c[nH]c(C(=O)NCc2csc(N3CCOCC3)n2)c1 426492779 IYJHPGITOSYTKH-UHFFFAOYSA-N 317.374 1.109 30 50 DDEA COc1cn(C)nc1[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 952995320 IQKCMUVRRIJLAP-JTQLQIEISA-N 320.374 1.340 30 50 DDEA N#CC1(CS(=O)(=O)NCc2cc(O)ccc2O)CCCC1 1875279168 YOLJOSRFBBRFIO-UHFFFAOYSA-N 310.375 1.601 30 50 DDEA COC(=O)C1=C(C(C)=O)[C@@H](c2ccc(C)cc2)n2nnnc2N1 13132453 NYZJURFHFSYVKA-CYBMUJFWSA-N 313.317 1.013 30 50 DDEA Cc1noc([C@]2(C(F)(F)F)CCN(CCOCCC#N)C2)n1 952892268 MQKXHOUCKFPOIF-LBPRGKRZSA-N 318.299 1.814 30 50 DDEA C=C(C)CS(=O)(=O)N[C@H]1CCN(c2ccccc2OC)C1=O 189715999 VHJSHDCWYOHOQF-LBPRGKRZSA-N 324.402 1.296 30 50 DDEA CO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)nc2)C12CCC2 578595232 OZDJCKSFOFSOPR-UONOGXRCSA-N 321.402 1.531 30 50 DDEA O=S(=O)(Cc1ccccc1)N/N=C/c1ccc2c(c1)OCO2 311984 JERUAEHSMQSGHA-CXUHLZMHSA-N 318.354 1.869 30 50 DDEA Cc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1[N+](=O)[O-] 5072991 KLEQODWTELWJOO-UHFFFAOYSA-N 300.274 1.776 30 50 DDEA C#Cc1cncc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1 253417721 IBAQBAITLBPRHJ-ZIAGYGMSSA-N 315.417 1.681 30 50 DDEA CC(=O)Nc1ccn([C@@H]2CCN(Cc3ccnc(C#N)c3)C2)n1 614741167 SRNASGAABOYYGK-OAHLLOKOSA-N 310.361 1.555 30 50 DDEA CC(=O)NCc1cc2n(n1)CCN(Cc1cccc(C#N)c1)C2 82097548 RDRIQGKGZLCQMK-UHFFFAOYSA-N 309.373 1.407 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H]2CC[C@@H]3CC(=O)N[C@@H]3C2)N=N1 1875382004 NHFUTIIVTNUFJJ-JHJVBQTASA-N 302.378 1.373 30 50 DDEA C#CCCC1(CCC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)N=N1 952881280 MBBRPZPZBHDKCD-DZGCQCFKSA-N 305.378 1.796 30 50 DDEA CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(c2ccc(C)c(C#N)n2)C1 1775957028 VOLBMVVCQDPOOG-OCCSQVGLSA-N 324.388 1.766 30 50 DDEA Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2ccc(C#N)cn2)cnn1C 275339440 HJUYFKPKXZQBDC-WFASDCNBSA-N 311.345 1.712 30 50 DDEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)Nc2ccon2)cn1 328615839 BBRMDCAMJPTMST-WCQYABFASA-N 305.338 2.137 30 50 DDEA CC(=O)N(C[C@@H]1CCCN1/C(O)=N/C1CCOCC1)C1CC1 328651569 VZWJMZSUIUQBMO-HNNXBMFYSA-N 309.410 1.555 30 50 DDEA CCN(CC(=O)O)C1CC(/N=C(/O)[C@@H]2CC23CCOCC3)C1 328631506 KNEGRPDYQNSMSF-BPCQOVAHSA-N 310.394 1.697 30 50 DDEA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C1(C#N)CCOCC1)CC2 91779778 GLAHXPMNDVFZHZ-KGLIPLIRSA-N 322.405 1.085 30 50 DDEA Cc1ncc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c(=N)[nH]1 2325864848 BEMGDPNKZWQHCM-AWEZNQCLSA-N 310.361 1.118 30 50 DDEA C=CCNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 2967016 CVYRHFNVFKLTBF-UHFFFAOYSA-N 302.783 1.408 30 50 DDEA N#Cc1ccccc1CN1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1 284516860 JPUWTIBCTCGKKY-DLBZAZTESA-N 313.401 1.661 30 50 DDEA C#CCOc1cccc(NC(=O)N2CCN(C(=O)NC)CC2)c1 241383155 MSXHFIKPKUJMMJ-UHFFFAOYSA-N 316.361 1.188 30 50 DDEA C=CCOc1ccccc1C(=O)NCCC[C@@H]1C=NNC1=O 863948431 QTWUDCAAXJDOLY-GFCCVEGCSA-N 301.346 1.493 30 50 DDEA CNC(=O)C[C@@H]1CCN(Cc2ccc(C#CC(C)(C)O)s2)C1 670461287 KLMYXCMTDDFUCX-ZDUSSCGKSA-N 320.458 1.829 30 50 DDEA Cc1nc([C@H]2CCN(CC(=O)NCc3cccc(C#N)c3)C2)n[nH]1 1413014284 SVKJZBVHXCRCJR-HNNXBMFYSA-N 324.388 1.091 30 50 DDEA N#Cc1ccc(F)cc1CN1CCC[C@@H](CS(N)(=O)=O)C1 170663323 GIHZSQNOHCHENY-LLVKDONJSA-N 311.382 1.198 30 50 DDEA Cc1cnc([C@]2(NC(=O)c3ccc(F)c(C#N)c3)CCOC2)[nH]1 818668467 RYJPUNQHSHPATO-INIZCTEOSA-N 314.320 1.775 30 50 DDEA N#CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 375429 YYEZAZSGBIPTHO-UHFFFAOYSA-N 322.371 1.796 30 50 DDEA C=CCn1c(SCC(N)=O)nnc1-c1cccc(OC)c1 2449324 KWANLTFWDCNAML-UHFFFAOYSA-N 304.375 1.717 30 50 DDEA CN1CC[C@@H](C/N=C(/O)Nc2ccon2)[C@@H]1c1cccnc1 328636601 VOZHJNKIXQKLER-JSGCOSHPSA-N 301.350 2.089 30 50 DDEA C[C@@H]1C(=O)N(Cc2nnc(-c3cccc(C#N)c3)o2)C(=O)[C@H]1C 332141409 PVWSVENVPGDMEV-UWVGGRQHSA-N 310.313 1.749 30 50 DDEA COCC1(O)CCN(/C(O)=N/[C@@H](C)C2=CCN(C)CC2)CC1 329297263 KWEHGEYDIYQOTJ-ZDUSSCGKSA-N 311.426 1.024 30 50 DDEA CO[C@@H]1CCN([C@H]2CCC[C@H]2NC(=O)c2ccc(C#N)n2C)C1 888076914 ZCBUWARMELXERP-KFWWJZLASA-N 316.405 1.268 30 50 DDEA C#CC(C)(C)N(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 195472687 QEJYZMZELDEAFL-UHFFFAOYSA-N 300.311 1.766 30 50 DDEA C=CCN1C[C@]2(C(=O)O)CN(c3ccc(Cl)cn3)C[C@@H]2C1=O 216378070 MMTKAKRKYUUSJL-ABAIWWIYSA-N 321.764 1.270 30 50 DDEA CC1CCN(c2ccc(/C=N/NC(N)=S)cc2[N+](=O)[O-])CC1 5261114 AUSRQGWYMVBZSC-CXUHLZMHSA-N 321.406 1.998 30 50 DDEA COc1cc(OCC(=O)N2CCOC[C@@H]2C2CC2)ccc1C#N 377241392 FLHCJYHYFNMVQT-OAHLLOKOSA-N 316.357 1.583 30 50 DDEA C=CCn1c(SCC(=O)Nc2ccccc2)nc(O)cc1=O 504065 OFSUWSQEVCECDT-UHFFFAOYSA-N 317.370 1.866 30 50 DDEA COc1nc2ccn(CCNC(=O)C(C)C)c(=O)c2cc1C#N 67847403 OWSUDKUJWBLNOX-UHFFFAOYSA-N 314.345 1.049 30 50 DDEA C[C@H](/N=C(/NCCCCC#N)NC[C@H]1CCCO1)[C@@H]1CCCO1 253415941 MYDGSBNRFCRPMH-XHSDSOJGSA-N 322.453 1.962 30 50 DDEA O=C(O)c1cccc(NC(=S)N[C@@H]2CC[S@@+](=O)(O)C2)c1 409415655 VVFJLMJFSOHFAX-SNVBAGLBSA-O 315.396 1.416 30 50 DDEA Cc1ncc(C/N=C(/O)[C@H]2Cc3cc(F)ccc3O2)c(N)n1 328591998 LPBLENHYTWXNTQ-CYBMUJFWSA-N 302.309 1.967 30 50 DDEA CN1CCC(N2CCN(C(=O)c3ccccc3C#N)CC2)CC1 215297434 FCBFGHSAAQKINK-UHFFFAOYSA-N 312.417 1.410 30 50 DDEA N#Cc1ccnc(SCc2cc(O)n3ncc(C#N)c3n2)c1 340956623 NHSBUWJPRPOZMK-UHFFFAOYSA-N 308.326 1.866 30 50 DDEA N#Cc1ccc(N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c(F)c1 299741916 HTHKQAYEJVXBCU-RKDXNWHRSA-N 301.243 1.797 30 50 DDEA N#CCc1cccc(OS(=O)(=O)C[C@@H]2C[C@H]3COC[C@@H]3O2)c1 952883254 ZEWHBDOSFJTMAZ-QEJZJMRPSA-N 323.370 1.265 30 50 DDEA CN1CCO[C@H](CN(CC2CC2)C(=O)c2cccc(C#N)c2)C1 276160505 ATMZGQDCSKWRFE-KRWDZBQOSA-N 313.401 1.741 30 50 DDEA C#CCCC1(CCC(=O)N2CC[C@@H](OC)C[C@H]2C(=O)O)N=N1 1615000493 BAQFLVWATWJNSQ-NEPJUHHUSA-N 307.350 1.433 30 50 DDEA Cc1cc(C)nc(/N=C(\N)N2CCN(Cc3ccccc3)CC2)n1 12652585 SVHGBTZSQAYZDK-UHFFFAOYSA-N 324.432 1.857 30 50 DDEA CC[S+](CC)c1c(O)n(-c2ccccc2F)c(=O)[nH]c1=O 4820217 KEVLLLZWGYJLEU-UHFFFAOYSA-O 311.358 1.388 30 50 DDEA C[C@@H]1[C@@H](NC(=O)NCCCc2n[nH]c(N)c2C#N)CCC[C@H]1C 252463388 HDXJAWVMJIAWTR-MDZLAQPJSA-N 318.425 1.920 30 50 DDEA CCn1cc([C@H]2OCC[C@@H]2/N=C(/O)Nc2nnc(C)s2)cn1 328627387 MTRALUAUXRAITQ-WDEREUQCSA-N 322.394 1.919 30 50 DDEA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 284951010 VVZIDXFQCNUDEF-KBPBESRZSA-N 315.373 1.203 30 50 DDEA Cc1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c1C#N 262500781 KOTAYWFYKBFGGQ-LLVKDONJSA-N 308.359 1.352 30 50 DDEA CN1CCN(c2ccc(C(=O)N3CCC[C@H](C#N)C3)cc2)CC1 223009927 CCJZVCDMSGXIMX-OAHLLOKOSA-N 312.417 1.814 30 50 DDEA Cc1nc(N2CCC([C@H](F)C(N)=O)CC2)c(Cl)cc1C#N 585132656 JMBNIJNGXKBKTQ-LBPRGKRZSA-N 310.760 1.955 30 50 DDEA C=CCc1cc(CN2CC[C@H](O)[C@H](O)C2)cc(OC)c1OCC 670459527 WYLTUJIUFWILJF-JKSUJKDBSA-N 321.417 1.750 30 50 DDEA C#CC[C@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2C)C1=O 225436059 WYCMSMCOGDYZEB-GFCCVEGCSA-N 319.748 1.531 30 50 DDEA NC(=N\c1ccc(OC(F)(F)F)cc1)/N=C(\N)N1CCCC1 206698569 NGFUHJWVBKTNOE-UHFFFAOYSA-N 315.299 1.942 30 50 DDEA N#Cc1cccc(S(=O)(=O)NCc2[nH]nc3ncccc23)c1 1772813533 GBQSKFPZCKKMHV-UHFFFAOYSA-N 313.342 1.308 30 50 DDEA N#Cc1ccc([C@H](C(N)=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 239653693 BKUBXNGSBRBEFP-LZLYRXPVSA-N 313.401 1.712 30 50 DDEA COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCCC#N 4189366 XSZMNJDHDLEKOU-CQSZACIVSA-N 315.329 1.780 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H](c2cscn2)N(C)C)N=N1 2325887470 UYMMAXJBKHRCNY-GFCCVEGCSA-N 305.407 1.828 30 50 DDEA CN(CCC#N)S(=O)(=O)c1ccc(Br)cc1 9726284 VATYMPATXZHHKV-UHFFFAOYSA-N 303.181 1.983 30 50 DDEA COCCNC(=O)[C@H](CC(C)C)Nc1cc(C#N)cc(C)n1 253415469 FZQZBJDTEZRDEV-AWEZNQCLSA-N 304.394 1.851 30 50 DDEA CC(=O)N1CCO[C@@H]2CCN(c3c(F)cc(C#N)cc3F)C[C@H]21 886051483 BWHNPOVYVKYXHU-HUUCEWRRSA-N 321.327 1.662 30 50 DDEA CC1(C)OB(c2ccc(CN3C(=O)CCC3=O)cc2)OC1(C)C 169745845 RGQNAHQTQMHHTJ-UHFFFAOYSA-N 315.178 1.635 30 50 DDEA in-vitro CNC(=O)[C@]1(COC)CCCN1Cc1cc(F)ccc1C#N 591646276 HPURRGGZVWBWEY-MRXNPFEDSA-N 305.353 1.424 30 50 DDEA Cc1cccc(S(=O)(=O)N(CC(=O)O)C2CCC2)c1C#N 593945875 ZZLSABXNDHMFTH-UHFFFAOYSA-N 308.359 1.495 30 50 DDEA C#CCN(CC=C)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 55242236 VLSJHJXQEWJTKC-UHFFFAOYSA-N 320.414 1.409 30 50 DDEA Cn1cc([C@@H]2CCCN2CC(=O)N[C@@](C)(C#N)C2CC2)cn1 229560126 RVHRUWMDKYUPRT-HOCLYGCPSA-N 301.394 1.365 30 50 DDEA Cc1cc(N2C(=O)[C@@H]3CCCCCN3C2=O)nn1CCC#N 367701127 FEACFUDBJUGBGZ-LBPRGKRZSA-N 301.350 1.816 30 50 DDEA CN(C)c1cnc(/C(O)=N/Cc2noc3c2CCCC3)cn1 330271680 WHODQUCTKKFOLY-UHFFFAOYSA-N 301.350 1.914 30 50 DDEA N#CCOc1cccc(CC(=O)N2CC(F)(F)C[C@@H]2CO)c1 372553363 MUNINAJVNLOHRT-GFCCVEGCSA-N 310.300 1.360 30 50 DDEA Cc1c([C@H]2OCC[C@@H]2NC(=O)Cc2ccc(C#N)cc2)cnn1C 430549726 NOBPNFIRQIJDIJ-FUHWJXTLSA-N 324.384 1.789 30 50 DDEA N#Cc1cnc(N[C@H]2CCN(C3CCOCC3)C2=O)c(Cl)c1 373858908 JRAPIDATENTOPZ-ZDUSSCGKSA-N 320.780 1.798 30 50 DDEA C=C(CN1C[C@H](O)C[C@H]1c1n[nH]c(-c2ccccc2)n1)C(=O)O 2325852266 YDNNJQQTAXEBKT-OLZOCXBDSA-N 314.345 1.220 30 50 DDEA C#CCCC1(CCNC(=O)Cn2cc([C@@H]3CCOC3)cn2)N=N1 2325891530 NBORODNNOVKIRO-CYBMUJFWSA-N 315.377 1.469 30 50 DDEA C#CCCC1(CCC(=O)N2CCc3ncnc(O)c3CC2)N=N1 2325899493 HEPNJLDBEANRMN-UHFFFAOYSA-N 313.361 1.465 30 50 DDEA N#Cc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)s1 330318509 QYAJSZOWFUWRII-RYUDHWBXSA-N 304.371 1.830 30 50 DDEA C[C@@H]1CCCN(CCNC(=O)N2CCn3nc(C#N)cc3C2)C1 534664269 LLEMZZSRCSINFH-CYBMUJFWSA-N 316.409 1.012 30 50 DDEA C=C(C)C[C@@H](NC(=O)c1cccc2c1O[C@@H](C)C(=O)N2)C(=O)O 630317535 RUWXJHQAOPUGBV-JOYOIKCWSA-N 318.329 1.555 30 50 DDEA CC#CCNC(=O)N1CCC(n2cnc3ccccc3c2=O)CC1 1357351396 PTHZKLRWJIWTSZ-UHFFFAOYSA-N 324.384 1.766 30 50 DDEA CCc1nc(SCC(=O)NC2CCCC2)[nH]c(=O)c1C#N 5239090 XNFZPKVUQHUNQK-UHFFFAOYSA-N 306.391 1.355 30 50 DDEA Cc1cc(=N[C@@H](Cc2ccc(O)cc2)C(N)=O)[nH]c(C)c1C#N 2356140425 IGPKMNDDTQZWBA-HNNXBMFYSA-N 310.357 1.206 30 50 DDEA N#Cc1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cn2)cc1 112158903 KCCZENKPKBQRTH-UHFFFAOYSA-N 321.745 1.725 30 50 DDEA C=CCn1cc(CN2Cc3[nH]cnc3C[C@H]2C(=O)OC)c(C)n1 55211285 JBVWUMSYQAIAEX-HNNXBMFYSA-N 315.377 1.201 30 50 DDEA CC1(C)OB(c2cccc3c(O)c(C(=O)O)cnc23)OC1(C)C 170005418 DTVYSFWUHOOWIV-UHFFFAOYSA-N 315.134 1.938 30 50 DDEA CN(C)c1nc2c(c(N3CCn4nc(C#N)cc4C3)n1)CCCC2 65394567 BRJGPSYKHGBVFH-UHFFFAOYSA-N 323.404 1.510 30 50 DDEA OCC#Cc1csc(CN2CCC(c3nc[nH]n3)CC2)c1 97243969 YJJMHTJYSSOMFR-UHFFFAOYSA-N 302.403 1.590 30 50 DDEA CN(C)C(=O)CN1C[C@H](C2CC2)[C@@H](Nc2cccc(C#N)n2)C1 91547365 ONCAYEWZRMTGRJ-CABCVRRESA-N 313.405 1.164 30 50 DDEA CC(C)c1nc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)C#CC3CC3)C2)n[nH]1 685943362 VENISTMQRQOQKZ-BFHYXJOUSA-N 316.405 1.312 30 50 DDEA Cc1cnn2cc(NS(=O)(=O)c3sccc3C#N)cnc12 1875317077 MUXCTKAKECOSLN-UHFFFAOYSA-N 319.371 1.772 30 50 DDEA N#Cc1cnn(-c2ccc(C(=O)N3C[C@H](F)[C@H](F)C3)cc2)c1N 1468272025 VNCLVKDJMBDJJL-BETUJISGSA-N 317.299 1.458 30 50 DDEA Cc1cc(CN2CC[C@@H](n3cc(C(N)=O)nn3)C2)ccc1C#N 591637288 YQQUPECJPMXBAW-CQSZACIVSA-N 310.361 1.004 30 50 DDEA N/C(=N\O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(N)=N/O 100445974 WOBVBXFNEHAFSJ-UHFFFAOYSA-N 318.124 1.020 30 50 DDEA CC#CC(=O)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 12196343 GOVZNJHMCBTLSM-UHFFFAOYSA-N 309.325 1.713 30 50 DDEA Fc1ccc(N/C(S)=N\C23CN4CN(CN(C4)C2)C3)cc1 19329973 IIATZLIZEDPFLX-UHFFFAOYSA-N 307.398 1.082 30 50 DDEA CS(=O)(=O)N[C@@H]1CCCC[C@@H]1N/C(O)=N/Cc1ccco1 330590917 YXEYZMIEQNRWQH-NWDGAFQWSA-N 315.395 1.144 30 50 DDEA CN(Cc1cccc(C#N)n1)CC(C)(C)CN1CCOCC1 585140346 COHKHJOFPCKDAH-UHFFFAOYSA-N 302.422 1.743 30 50 DDEA N#Cc1cnccc1CN1CCC2(CCC2)S(=O)(=O)CC1 592125386 VRILNZUJUIKUDU-UHFFFAOYSA-N 305.403 1.496 30 50 DDEA CCN(CC)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 170027101 ABOJRDHMBUWFDB-UHFFFAOYSA-N 304.199 1.863 30 50 DDEA Cc1onc(C(=O)/C=C/N(C)C)c1C(=O)Nc1nccs1 3049087 OAEZBRZLHVOXMN-GQCTYLIASA-N 306.347 1.950 30 50 DDEA Cc1cc(C#N)ccc1C(=O)NCCC1CCS(=O)(=O)CC1 329012873 PCSZWRKODCGTIG-UHFFFAOYSA-N 320.414 1.811 30 50 DDEA CC(=O)Nc1ccn([C@H]2CCN(Cc3ccnc(C#N)c3)C2)n1 614741161 SRNASGAABOYYGK-HNNXBMFYSA-N 310.361 1.555 30 50 DDEA C#C[C@@H](NC(=O)CCc1cnn(-c2ccccc2)c1)[C@@H]1CCOC1 170600945 GEWWFUDNVOVBAE-SJLPKXTDSA-N 323.396 1.959 30 50 DDEA N#Cc1cc(F)ccc1N1CCC[C@@](O)(C(=O)N2CCCC2)C1 408035169 JCBTVUBJYZRIOK-KRWDZBQOSA-N 317.364 1.651 30 50 DDEA Cc1cnccc1N1CCCN(c2nc(=N)c(C#N)c[nH]2)CC1 1506425056 LISTZXBVVHOAOI-UHFFFAOYSA-N 309.377 1.181 30 50 DDEA O/C(=N/C[C@@H]1C[C@H](F)CN1c1cccnn1)Nc1cccnc1 328625160 CUXAAIRPFCQSFE-AAEUAGOBSA-N 316.340 1.815 30 50 DDEA CCC(=O)N1CC[C@H](/N=C(/O)Nc2c(C)nn(CC)c2C)C1 330667811 XOABEYHAWJSOAB-LBPRGKRZSA-N 307.398 1.857 30 50 DDEA C/N=C(/O)[C@H]1CN(C(=O)c2ccnc3ccncc23)CCO1 329387136 QUDOWYARPLTHDB-CYBMUJFWSA-N 300.318 1.057 30 50 DDEA COCc1nc([C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C2CC2)n[nH]1 952887784 JFBLDFRGHFGEHA-KGLIPLIRSA-N 314.389 1.317 30 50 DDEA COC1=C(OC)C(=O)C([C@H]2COc3cc(O)ccc3C2)=CC1=O 59729514 SHZOHJDZQPQBSW-SNVBAGLBSA-N 316.309 1.526 30 50 DDEA biogenic,in-vitro Cc1cccc(C#N)c1S(=O)(=O)NCCc1nccs1 1363926286 GYRGGMPJGKLIPZ-UHFFFAOYSA-N 307.400 1.844 30 50 DDEA C=C(Cl)CS(=O)(=O)N[C@H](C)[C@@H](O)Cc1ccccc1 170608432 QUHYNWQCOGRJNY-YPMHNXCESA-N 303.811 1.650 30 50 DDEA C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1CO 189182236 RYMWIRWNYUNUOI-KOLCDFICSA-N 314.794 1.461 30 50 DDEA C=CCn1cc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)nn1 647730640 DISXKLDMYMRYNN-DRZSPHRISA-N 304.350 1.322 30 50 DDEA Cc1ccc(C#N)c(N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)n1 1857716849 HGRBUAAJKOTVQZ-BVIKNXMNSA-N 312.417 1.807 30 50 DDEA CCC[C@]1(CO)CCN(C(=O)c2cc(F)cc(C#N)c2)C[C@@H]1O 1857724277 SODNKYGEQMTHAE-DOTOQJQBSA-N 320.364 1.683 30 50 DDEA C#CCCC1(CCNC(=O)c2cn(C[C@H]3CCCO3)nn2)N=N1 2325891567 OOCRCANPPGWLJP-GFCCVEGCSA-N 316.365 1.153 30 50 DDEA CCn1cc([C@@H]2N=C(O)CC[C@H]2Nc2cnc(C#N)cn2)cn1 328627997 NHCVGACFRWBLDI-DOMZBBRYSA-N 311.349 1.837 30 50 DDEA Cn1cnc2c(c1=O)CCN(/C(O)=N/CC1(C3CC3)CC1)C2 328617791 DAQRDMWZGVKZQF-UHFFFAOYSA-N 302.378 1.243 30 50 DDEA CCC(CC)[C@@H]1C[C@H](/N=C(/O)N[C@@H]2CC[S@](=O)C2)CCO1 329299672 VEUJGFDICWRCCU-GEBUAUGYSA-N 316.467 1.995 30 50 DDEA N#CCN(CC#N)S(=O)(=O)Cc1ccc(Cl)c(F)c1 194654031 YMBXTEWCDWNTRP-UHFFFAOYSA-N 301.730 1.658 30 50 DDEA COc1ccnc(N2CC[C@H](n3ccc(N=C(C)O)n3)C2)n1 328611034 KBQAWHLNYMDOLU-NSHDSACASA-N 302.338 1.741 30 50 DDEA C#CCCC1(CCNC(=O)c2coc(C3CCNCC3)n2)N=N1 2325900846 LFYYIRCBUVJSTQ-UHFFFAOYSA-N 315.377 1.837 30 50 DDEA C#CCCC1(CCNC(=O)Cn2[nH]c3ccccc3c2=O)N=N1 2325901205 YACSNIAUXIXQTG-UHFFFAOYSA-N 311.345 1.411 30 50 DDEA CN(CC#CCN(C)C[C@@H]1CCCOC1)C[C@@H]1CCCOC1 341895285 LDZCCEYOAOKBNH-ROUUACIJSA-N 308.466 1.707 30 50 DDEA C#CCCNC(=O)c1csc(C2CCN(C(=O)C=C)CC2)n1 1875389633 VZWFNHOZALDBDL-UHFFFAOYSA-N 317.414 1.788 30 50 DDEA CC#CC(=O)N[C@@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1875368143 UCPNSHISENUIQM-LBPRGKRZSA-N 310.394 1.276 30 50 DDEA Cc1nnc([C@H]2C[C@@H](O)CN2c2c(F)cc(C#N)cc2F)o1 1775957341 OUBWCHOAKKDQEP-BXKDBHETSA-N 306.272 1.840 30 50 DDEA CCOC(=O)CC(=O)CSc1nccc(N(C)C)c1C#N 15724554 UCNZEVPEUMVBJR-UHFFFAOYSA-N 307.375 1.634 30 50 DDEA Cc1cccc(S(=O)(=O)N[C@@H](C)CO[C@H]2CCOC2)c1C#N 126049896 JNPYBSBBOSTNNN-STQMWFEESA-N 324.402 1.339 30 50 DDEA C=CCn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCC3 237113 KNFVQJGOSDKETP-UHFFFAOYSA-N 321.427 1.710 30 50 DDEA C[C@@H]1CN(/C(O)=N/CCn2ccnc2)C[C@]2(CCCOC2)O1 328588324 BWKGKZLZQQMWHL-HIFRSBDPSA-N 308.382 1.067 30 50 DDEA Cc1nc([C@@H]2COCCN2C(=O)/C=C/c2ccccc2C#N)no1 369283878 PAHMLYNCNSCXNY-LFAOLKIESA-N 324.340 1.863 30 50 DDEA Cc1nc(C(=O)N2CCO[C@@H](COC(C)C)C2)ccc1C#N 372171849 DTKCCCOEEMQVOJ-CQSZACIVSA-N 303.362 1.528 30 50 DDEA C#CC[C@H](NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)C(N)=O 159453188 MUIQARXGWJSSAM-JTQLQIEISA-N 318.682 1.966 30 50 DDEA C#CCNC(=O)CCN1CC=C(c2c[nH]c3ncccc23)CC1 292763202 JAOPNTVNUMYZTR-UHFFFAOYSA-N 308.385 1.792 30 50 DDEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNc1nccc(C#N)n1 886080298 ULBBHDMGVPQPHA-DOMZBBRYSA-N 312.377 1.888 30 50 DDEA CC(C)(C#N)c1ccccc1CN1CCC[C@@](O)(C(N)=O)C1 225480640 HGVUKTWSPWANGN-KRWDZBQOSA-N 301.390 1.300 30 50 DDEA C=CCOc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)cc1 2503573 KUGGMRPNFSYHFZ-UHFFFAOYSA-N 302.330 1.461 30 50 DDEA 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CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)[C@@H]2CO2)CC1 1875373377 ZMSNEIBNMXMJTN-KBPBESRZSA-N 310.394 1.635 30 50 DDEA N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2)cc1 170603793 SGDUHMRGRWHOHX-HNNXBMFYSA-N 323.356 1.384 30 50 DDEA Cc1cc(N2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)n[nH]1 187221194 UJDDZUDODCNSMC-INIZCTEOSA-N 311.389 1.445 30 50 DDEA C#CCCC1(CCNC(=O)Cc2cnn(-c3ccccc3)n2)N=N1 2325887393 NFICJUKFFFYMBC-UHFFFAOYSA-N 322.372 1.892 30 50 DDEA COc1cc([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc(OC)c1OC 86508 GUVROHMRMDARPC-AWEZNQCLSA-N 320.345 1.929 30 50 DDEA COCCOCCOCCOS(=O)(=O)c1ccc(C)cc1 25756785 IUDNRKGPFWUYIC-UHFFFAOYSA-N 318.391 1.380 30 50 DDEA COC(=O)c1cccc([N+](=O)[O-])c1B1OC(C)(C)C(C)(C)O1 170005892 OGOQTTATWRCZES-UHFFFAOYSA-N 307.111 1.681 30 50 DDEA N#Cc1nccnc1NCC(=O)N[C@@H]1CCOc2ccccc21 374442901 LOXLFTNQJWMUHR-GFCCVEGCSA-N 309.329 1.400 30 50 DDEA Cc1nc(NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)ccc1C#N 685941221 VFVFNXQUIJFYNB-BFHYXJOUSA-N 312.377 1.357 30 50 DDEA 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30 50 DDEA CO[C@@H]1CN(C(=O)c2ccc(C#N)cc2C)C[C@H]1c1cnn[nH]1 591675610 ORAXQXBKTAANRQ-DZGCQCFKSA-N 311.345 1.239 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H]2Cc3ccccc3N(C)C2=O)N=N1 2325891518 LWYROOCGEOYFMQ-AWEZNQCLSA-N 324.384 1.904 30 50 DDEA OCCN(CC#C[C@@](O)(c1ccccc1)C1CCCC1)CCO 1817290 XAQXJZRVHJUEEH-LJQANCHMSA-N 317.429 1.354 30 50 DDEA C=CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)C(=O)NC1=S 4965142 KEZURXVXFRGDRK-POHAHGRESA-N 316.338 1.228 30 50 DDEA C=CCN1CC[C@H](CNC(=O)CSc2nc(CC)n[nH]2)C1 55242175 WKKQSTQCJPBEDI-LLVKDONJSA-N 309.439 1.083 30 50 DDEA COc1cc(Cl)ccc1OCC#CCN1CCN(C)CC1 23114630 CPRKBAUWJYBNDE-UHFFFAOYSA-N 308.809 1.978 30 50 DDEA COc1cc(C(=O)NC2CC2)ccc1B1OC(C)(C)C(C)(C)O1 170004255 YIEUGFBIMDGPDN-UHFFFAOYSA-N 317.194 1.887 30 50 DDEA CC1(C)CN(/C(O)=N/CC2CCN(C3CC3)CC2)CC[C@H]1O 329381258 NWZUSURACHLHBI-OAHLLOKOSA-N 309.454 1.868 30 50 DDEA NC(=O)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2O)cc1 6706882 PYNMLUWXCVMZHC-OAHLLOKOSA-N 313.313 1.506 30 50 DDEA Cc1nc(C)c(C#N)c(SC[C@@H]2CCCS(=O)(=O)C2)n1 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316.166 1.659 30 50 DDEA CCS(=O)(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 218863961 GNVOWCSWASNGAD-UHFFFAOYSA-N 311.212 1.747 30 50 DDEA Cn1cnnc1[C@H]1CN(Cc2cc(C#N)ccc2F)CCO1 328655008 XXVAQQUQROQPNJ-CQSZACIVSA-N 301.325 1.399 30 50 DDEA COc1cc([N+](=O)[O-])c(C#N)cc1OCCCN1CCOCC1 34645718 FYCDMKYKGPHRFW-UHFFFAOYSA-N 321.333 1.576 30 50 DDEA N#Cc1csc(CNC[C@H]2CCn3ncc(C(N)=O)c3C2)c1 299745119 WHKLGPUTMQSOPA-JTQLQIEISA-N 315.402 1.267 30 50 DDEA Nc1nc(CCCNCc2cc(C#CCO)cs2)cs1 1506397611 WTANJWPKINEVLQ-UHFFFAOYSA-N 307.444 1.853 30 50 DDEA CN1CCC[C@]2(CO)CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]12 1704337407 WIODNVOHPHWWTB-SJLPKXTDSA-N 313.401 1.477 30 50 DDEA CC#CC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC 801158372 GKPHXABIPAGZJC-CQSZACIVSA-N 300.358 1.956 30 50 DDEA C#CCCC1(CCC(=O)N[C@H](C)C2(n3ccnn3)CC2)N=N1 2325892000 WPLGWLZIWWZTCM-GFCCVEGCSA-N 300.366 1.628 30 50 DDEA [N-]=[N+]=NCCCOc1ccc(S(=O)(=O)OCC(=O)O)cc1 1857800404 VDYGOJMNOKKNRL-UHFFFAOYSA-N 315.307 1.556 30 50 DDEA CS(=O)(=O)O[C@H]1CC2(SCCCS2)[C@H]2CC(=O)[C@H]1C2 101093344 PFBUTHFLHJDRJO-KKZNHRDASA-N 322.473 1.897 30 50 DDEA CC(C)OCCC(=O)NS(=O)(=O)c1cccc(F)c1C#N 160083270 IPAQPNFZBDAQJD-UHFFFAOYSA-N 314.338 1.317 30 50 DDEA C#CCCC1(CCC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)N=N1 952882955 ZKHOSWBKXSTSOB-SCRDCRAPSA-N 302.378 1.455 30 50 DDEA C#CCCC1(CCC(=O)N2CCO[C@H](c3cnn(C)c3)C2)N=N1 888096426 UXFXEROGIQIALG-AWEZNQCLSA-N 315.377 1.676 30 50 DDEA Cc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1occc1C 170605081 RGHGHGBDHAXHLH-UHFFFAOYSA-N 304.327 1.887 30 50 DDEA C/C(=N\O)[C@@H]1C[C@H](C(=O)NC2(CO)CCSCC2)C1(C)C 585120755 JGZZONDJXBHVFL-VUUKMUNDSA-N 314.451 1.873 30 50 DDEA COc1cc(/C=N/n2cnnc2)ccc1OC(=O)c1ccco1 448207 MNQKGNGDCDQZGJ-QGMBQPNBSA-N 312.285 1.981 30 50 DDEA CN(CCC#N)C(=O)CCN1C[C@H](O)C[C@H]1c1ccc(F)cc1 343573028 VCAPFTFFCATQJG-CVEARBPZSA-N 319.380 1.696 30 50 DDEA N#Cc1cc(CN2CCN(CC(F)(F)F)C(=O)C2)ccc1F 253417518 LXPONOGQUOHIBH-UHFFFAOYSA-N 315.270 1.904 30 50 DDEA C#CCN(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 164857706 MPHCVSMCNNTIGM-UHFFFAOYSA-N 302.739 1.810 30 50 DDEA C#CCCC1(CCC(=O)N2C[C@@]34CCC[C@]3(CNC4)C2)N=N1 2325900695 GFPQBZSMYNXMMG-HOTGVXAUSA-N 300.406 1.944 30 50 DDEA C=CC[C@H](C)NC(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 116971995 QEVSQTVREKESSK-LBPRGKRZSA-N 317.455 1.407 30 50 DDEA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(c2ccc(C#N)nc2)C1 284456774 DMEHLQYPPKOWRG-KGLIPLIRSA-N 310.361 1.915 30 50 DDEA Cn1cc(C#N)cc1C(=O)N(CCC(N)=O)CCc1ccccc1 214956522 IQBISCNNCWCZHD-UHFFFAOYSA-N 324.384 1.457 30 50 DDEA CCN(CCC#N)C(=O)CN1Cc2c[nH]nc2CC(C)(C)C1 952891391 DBBUDDCPYFVIGO-UHFFFAOYSA-N 303.410 1.556 30 50 DDEA COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CC(=O)O)cc1 283222 LQHLXOBIIJVCHE-ZDUSSCGKSA-N 305.286 1.064 30 50 DDEA biogenic N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2O)s1 230323801 NMZQXEGYZJNLBU-UHFFFAOYSA-N 324.339 1.824 30 50 DDEA CN1C[C@H](CNS(=O)(=O)CCCC#N)Cc2ccccc21 364214707 RMDJIBZYYNGGKX-ZDUSSCGKSA-N 307.419 1.518 30 50 DDEA C=CCn1cc(CN2CCC[C@H](CS(C)(=O)=O)C2)c(C)n1 97244078 ZFWJPYYLIFLDTE-AWEZNQCLSA-N 311.451 1.634 30 50 DDEA N#Cc1cccc(C[C@@H]2CC[C@H](CN3CCCOCC3)O2)n1 952854524 BIVVYEHUGINMDG-DLBZAZTESA-N 301.390 1.766 30 50 DDEA CC[C@@](C)(C#N)C(=O)Nc1cc(-c2cccnc2)nn1CCO 600123731 PGNVAUQFTBEJQR-INIZCTEOSA-N 313.361 1.816 30 50 DDEA Cc1cc(C#N)ccc1C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328624693 JZQGCFCYGBRLBR-HNNXBMFYSA-N 309.373 1.719 30 50 DDEA COc1ccccc1N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1=O 150926792 NBFALTASUJCHHW-GFCCVEGCSA-N 324.340 1.430 30 50 DDEA C[C@@H]1CN([C@H]2CCCN(CC(C)(C)C)C2=O)C[C@@H](C)N1CC#N 585116530 ZYHHUPXGUXZRET-OAGGEKHMSA-N 320.481 1.942 30 50 DDEA C[C@H]1c2ccc(C#N)n2CCN1C(=O)Cn1nnc2ccccc21 2325791438 ZILSUWFYOWWXQH-LBPRGKRZSA-N 320.356 1.708 30 50 DDEA C#CCCC1(CCNC(=O)c2ccn([C@H]3CCCNC3)n2)N=N1 2325900899 MZNCJSUVSRZDIH-ZDUSSCGKSA-N 314.393 1.503 30 50 DDEA N#Cc1c[nH]c(C(=O)NCc2ccccc2CN2CCCC2=O)c1 175233402 IUWVEROAIKSJKD-UHFFFAOYSA-N 322.368 1.939 30 50 DDEA CC(O)=Nc1ccn([C@@H]2CCN(C(=O)[C@H]3CCCCO3)C2)n1 328614426 WAYFKQZOHCMXBX-CHWSQXEVSA-N 306.366 1.834 30 50 DDEA N#Cc1cc(F)ccc1N1CCC(N2CCCS2(=O)=O)CC1 334136517 YUJFJXJLTZRRPZ-UHFFFAOYSA-N 323.393 1.702 30 50 DDEA N#Cc1c(CN2CC[C@@H](CN3CCOCC3)C2)cn2ccccc12 129597515 GQZDCRCTCSGRJT-INIZCTEOSA-N 324.428 1.965 30 50 DDEA CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)c1nccnc1C#N 284668225 QBQPMPVMMBDEFC-IRXDYDNUSA-N 323.400 1.856 30 50 DDEA CCOCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C#N)cc1 219512104 YWBSDVHLHYWNAI-HUUCEWRRSA-N 304.346 1.247 30 50 DDEA N#Cc1nccnc1N1CCN(Cc2ccccc2)C[C@@H](O)C1 97657302 LOKABVVXEAAFJS-OAHLLOKOSA-N 309.373 1.031 30 50 DDEA Cn1cccc1C(=O)NC1CCN(c2ncccc2C#N)CC1 299761415 LHWDOYQSWAWZPC-UHFFFAOYSA-N 309.373 1.691 30 50 DDEA Cc1cc(C)n(CCCC(=O)N2CCn3nc(C#N)cc3C2)n1 670433983 CABSMMGUCYIXRM-UHFFFAOYSA-N 312.377 1.391 30 50 DDEA N#Cc1ccccc1OCCN1CCN(C(=O)OCCF)CC1 1875275533 JFAFREVLOHKGNW-UHFFFAOYSA-N 321.352 1.661 30 50 DDEA CN(C)CC(=O)Nc1cccc(NC(=O)c2ccc(C#N)nc2)c1 952974081 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N#Cc1nnc2ccccc2c1N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 596301895 LJXMFMXVOJIRQH-JGGQBBKZSA-N 306.329 1.484 30 50 DDEA N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[C@@H]32)c(NCCO)c1 1615046651 WQOLBPDOLJRQCW-JSGCOSHPSA-N 321.402 1.135 30 50 DDEA C/N=C1/S[C@H](CC(=O)Nc2cccc(C(=O)O)c2)C(=O)N1C 1796149 BLYIEBDUBABEFW-KDGRRTAISA-N 321.358 1.273 30 50 DDEA CN(C)C/C=C/C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 265607756 DOSXOEGNARSELS-RMKNXTFCSA-N 314.433 1.566 30 50 DDEA N#C[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)CCN1Cc1ccccc1 153696681 VFXIFFCFNIBYTO-MRXNPFEDSA-N 322.368 1.225 30 50 DDEA N=C(O)CN1C[C@@H](F)C[C@H]1C/N=C(/O)COc1ccccc1 328604402 JMWROQDJMMRGOL-RYUDHWBXSA-N 309.341 1.970 30 50 DDEA C=CCN1C[C@@]2(C(=O)O)CN(Cc3ccc(C)s3)C[C@H]2C1=O 77487296 CLHRWNVJCKCQTC-BBRMVZONSA-N 320.414 1.588 30 50 DDEA CC#CC(=O)N1CCC[C@@H]([C@H](O)c2ccc(F)c(C#N)c2)C1 1875386855 AYXLBUAYEGNSRP-CXAGYDPISA-N 300.333 1.993 30 50 DDEA CN1C(=O)CC[C@H](CNc2ccc(C#N)nc2)[C@H]1c1cnn(C)c1 888102987 YGCFWFSCBMEXAW-PXAZEXFGSA-N 324.388 1.708 30 50 DDEA C[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)c1ccnc(O)c1 600740836 WWJGCGQAAOFTBD-JSGCOSHPSA-N 305.378 1.509 30 50 DDEA C#C[C@H](NC(=O)Nc1ccc(C(=O)OC)c(F)c1)[C@H]1CCOC1 225611532 QYCDGWWWKYZZSA-HZMBPMFUSA-N 320.320 1.772 30 50 DDEA C=CCN(Cc1cc(CC(C)C)[nH]n1)[C@@H]1CCS(=O)(=O)C1 1506415892 BLGRIOUNUDXBBH-OAHLLOKOSA-N 311.451 1.783 30 50 DDEA C=C(C)CNC[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 11999484 FDLDJJPHWOFONK-QGZVFWFLSA-N 324.371 1.984 30 50 DDEA CN(C)C(=O)C[C@@]1(O)CCCN(c2ccc(Cl)c(C#N)n2)C1 591618447 QXQSTACDXJQIRU-HNNXBMFYSA-N 322.796 1.416 30 50 DDEA CO[C@@H]1CN(c2c(C#N)cnc3ccccc23)C[C@H]1c1cnn[nH]1 591630722 WUXMHCJQOHVPPW-XJKSGUPXSA-N 320.356 1.843 30 50 DDEA CCN1CCN(/C(O)=N/Cc2c[nH]nc2C)C[C@H]1c1ncc[nH]1 328628796 ODMAQCZGBRVUDL-ZDUSSCGKSA-N 317.397 1.234 30 50 DDEA CC(C)(C)n1cnc(N/C(O)=N/[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1 329759386 OUIIMVVEWILFDZ-UTUOFQBUSA-N 307.398 2.317 30 50 DDEA N#Cc1ccc(C(=O)N2CCN(c3ccccc3)C(=O)C2)cn1 82148487 ZMFQXXFYHXLAHE-UHFFFAOYSA-N 306.325 1.442 30 50 DDEA CCC#CCN1CCC(c2nnc(Cn3cccn3)n2C)CC1 91441235 LGVHKQZFSFZPIN-UHFFFAOYSA-N 312.421 1.653 30 50 DDEA CC(C)(C#N)c1ccccc1CN1CCC([C@H](O)C(N)=O)CC1 299748749 IBHTYHSJAUQUBS-INIZCTEOSA-N 315.417 1.546 30 50 DDEA Cn1cc([C@@H]2CN(c3nc4c(cc3C#N)CCC4)C[C@H]2CO)cn1 278056588 RYHRVQWGQJYQDH-HOTGVXAUSA-N 323.400 1.388 30 50 DDEA N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ncccn2)cc1 602897560 KVFRXYCINLROND-RDJZCZTQSA-N 324.384 1.925 30 50 DDEA N#CC1CC(O)(CN2CCN(C3Cc4ccccc4C3)CC2)C1 1615056260 IJGLDOCGJGWVCP-UHFFFAOYSA-N 311.429 1.436 30 50 DDEA C=CCn1c(SCC(N)=O)nnc1-c1ccccc1OC 5478648 BQIXZBKFFUERMY-UHFFFAOYSA-N 304.375 1.717 30 50 DDEA C[C@H](C(=O)N[C@H]1CNCC[C@@H]1C#N)n1ccc2ccccc2c1=O 2325795414 DSZAXVIBDDCARD-XPKDYRNWSA-N 324.384 1.180 30 50 DDEA C#CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc1OC 4838423 KBZMGDLDOJPVAY-INIZCTEOSA-N 314.341 1.924 30 50 DDEA CN(CC1CC1)C[C@@H]1CN(/C(O)=N/C[C@H]2CCCO2)CCO1 328644548 RURULOMSABCTRM-HUUCEWRRSA-N 311.426 1.122 30 50 DDEA Cc1nccn1CC(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N 333798087 ZHSOCFRJXLOTBQ-GOEBONIOSA-N 302.378 1.645 30 50 DDEA N#Cc1ccccc1S(=O)(=O)N1C[C@@H]2CCC[C@H](C1)C2O 178760302 BNOYTSUEDBBSAK-NNQSOWQGSA-N 306.387 1.340 30 50 DDEA C#CCOc1ccccc1CN1CC[C@@H](S(=O)(=O)NCC)C1 181563289 SRUOTRMAFCQKRG-OAHLLOKOSA-N 322.430 1.212 30 50 DDEA C[C@@H](Cn1cncn1)NC(=O)CC1=C(c2ccccc2)CCC1=O 827801476 JKKLLNMNWPIBPU-ZDUSSCGKSA-N 324.384 1.990 30 50 DDEA C#CCCC1(CCC(=O)N2CCOCC3(CCOCC3)C2)N=N1 952881863 QKHUVPNPNHWOQL-UHFFFAOYSA-N 319.405 1.998 30 50 DDEA Cc1c(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cnc(O)c1C#N 1073261697 LVHAYOXYFSLVLU-OLZOCXBDSA-N 315.329 1.150 30 50 DDEA C#C[C@@H](NC(=O)Nc1ccc(C(=O)OC)c(F)c1)[C@H]1CCOC1 225611557 QYCDGWWWKYZZSA-IINYFYTJSA-N 320.320 1.772 30 50 DDEA COC(=O)c1ccc2c(c1)CCCCN2CC(=O)NCC#N 1616035099 QZJFEVRDLKSRAT-UHFFFAOYSA-N 301.346 1.256 30 50 DDEA CNC(=O)[C@H](O)CNC(=O)c1ccccc1-c1ccccc1C#N 763697056 JBMHRYMTAZJACL-MRXNPFEDSA-N 323.352 1.062 30 50 DDEA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2ccnc(C#N)c2)c1 282337953 DMLGIJFNLKRYBC-WBVHZDCISA-N 323.352 1.910 30 50 DDEA N#Cc1ncccc1S(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21 253393876 KIJDSTLJFYTZHN-CHWSQXEVSA-N 307.375 1.285 30 50 DDEA Cn1ccnc(N2CCC(NCc3cccc(C#N)c3)CC2)c1=O 328639417 PLSKZETVCUDACC-UHFFFAOYSA-N 323.400 1.411 30 50 DDEA N#Cc1ccc(CN2CCO[C@@H](Cn3cncn3)C2)c(F)c1 331742645 WQBWTTFQZLZUOE-CQSZACIVSA-N 301.325 1.190 30 50 DDEA C=CCN(C(=O)C(F)(F)C(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 241383516 MVXPJAJOWRMGBL-SNVBAGLBSA-N 323.361 1.049 30 50 DDEA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C#N)cn1 286106106 IRCBPUKMJYIBFG-TZMCWYRMSA-N 311.345 1.886 30 50 DDEA C#CCCC1(CCC(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)N=N1 952882930 ZHGBCVAKYIHZRU-QWHCGFSZSA-N 302.378 1.612 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H](C(=O)O)[C@@H]2CCCOC2)N=N1 952876152 COKPRVQFRXTBEW-DGCLKSJQSA-N 307.350 1.338 30 50 DDEA CC1(C)OB(c2ccccc2CN2CCOCC2)OC1(C)C 169743717 WCNXVDLZTGODQW-UHFFFAOYSA-N 303.211 1.818 30 50 DDEA in-vitro C=CCn1c(C)cc(C(=O)CN2CCNC(=O)[C@H]2C(C)C)c1C 170652544 NSAXPOLODPHPOJ-QGZVFWFLSA-N 317.433 1.930 30 50 DDEA CN(C)C[C@@]1(O)CCCN(C(=O)Nc2cccc(C#N)c2)C1 600865145 XSZCYEQIMKXJMC-INIZCTEOSA-N 302.378 1.479 30 50 DDEA CN1C[C@@H](CN2CCN(c3ccccc3C#N)CC2)CCC1=O 1775983653 QESCGHRLLSSQOI-HNNXBMFYSA-N 312.417 1.549 30 50 DDEA CC1=CC(=O)/C(=C/N[C@H]2CCc3ccccc3NC2=O)C(=O)O1 1776111625 HVEZWMDENLHEAS-UQTJOTSZSA-N 312.325 1.443 30 50 DDEA CCN(CCC#N)C(=O)CN1CCOC[C@H]1c1c(C)n[nH]c1C 374306142 CCXLUAVQVGKNSK-AWEZNQCLSA-N 319.409 1.162 30 50 DDEA C[C@@H]1CC(=NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)NO1 831398589 DPAITQXMQWUBCT-SECBINFHSA-N 301.346 1.793 30 50 DDEA CN1CCO[C@H]2CN(c3ccc(Br)cc3C#N)C[C@H]21 230213892 QPLRTCQSJVMUPN-KGLIPLIRSA-N 322.206 1.840 30 50 DDEA C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CS(=O)(=O)C12CCCCC2 2325778742 MXKJGEFVKNOODV-GHMZBOCLSA-N 320.842 1.072 30 50 DDEA CC1(C)CC(=O)C(=NNc2ccc3[nH]c(=O)[nH]c3c2)C(=O)C1 445051 VPCLDTQFKUHJHY-UHFFFAOYSA-N 300.318 1.582 30 50 DDEA CC/C(=C\C(CNC(=O)c1cccnc1)=N\O)[C@H](C)[N+](=O)[O-] 3931039 KIWSYRHAAPLJFJ-BMPLNAPTSA-N 306.322 1.643 30 50 DDEA investigational CO[C@@H]1C[C@H](CNc2ncccc2C#N)N(c2ccncn2)C1 952886876 FWHJTHNQYVEDJA-ZIAGYGMSSA-N 310.361 1.449 30 50 DDEA C=CC[C@@H](C)NCc1c(CNC(=O)OC(C)(C)C)nnn1C 1775997527 GCOGYMHLTHAOBV-LLVKDONJSA-N 309.414 1.894 30 50 DDEA CC[C@H](CC#N)NC(=O)c1cc2ncc(Br)cn2n1 585137828 VALCOAYAZLBENC-SECBINFHSA-N 322.166 1.914 30 50 DDEA C=CCN(C)CCN(CC)S(=O)(=O)c1sccc1OC 585115422 ZFZVCIVCHKKLJK-UHFFFAOYSA-N 318.464 1.885 30 50 DDEA Cc1cc(F)cc(C#N)c1S(=O)(=O)N(C)[C@@H](C)C(=O)O 600891510 RUHVZIXLGWWDAU-QMMMGPOBSA-N 300.311 1.099 30 50 DDEA CCN1CCN(/C(O)=N/Cc2ccoc2)C[C@H]1c1ncc[nH]1 328646159 ZZDDPPIASRICAH-ZDUSSCGKSA-N 303.366 1.796 30 50 DDEA C/C(O)=N/[C@@H]1CCCN(c2nccc(N[C@H]3CCCOC3)n2)C1 328623890 CCBRNSBODWNNEJ-KGLIPLIRSA-N 319.409 2.013 30 50 DDEA O=C(O)C[C@@H]1S/C(=N/N=C/c2cccc(Cl)c2)NC1=O 4755764 ZRTGMGCIYFPTCT-RGEMTFFCSA-N 311.750 1.736 30 50 DDEA C[C@H]1Oc2c(cc(F)cc2B2OC(C)(C)C(C)(C)O2)NC1=O 170007232 QOBKXKPVXFPTJN-MRVPVSSYSA-N 307.130 1.844 30 50 DDEA O=C(O)C(F)(F)N1C[C@@H](C(F)(F)F)O[C@H](C(F)(F)F)C1 100698852 UAIHDPZPOAHNGV-IMJSIDKUSA-N 317.132 1.858 30 50 DDEA C#C[C@@](C)(CC)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 1430315 MPXVRWOXCTWARV-HNNXBMFYSA-N 317.780 1.912 30 50 DDEA COC(=O)c1ccc(N/N=C(\C#N)S(=O)(=O)C(C)(C)C)cc1 3047541 PQDNUHMAJFMSCH-SFQUDFHCSA-N 323.374 1.935 30 50 DDEA CO[C@@H]1[C@H]2C[C@@H]3CN(/C(O)=N/[C@H](C)c4nc(C)no4)[C@H]1[C@H]3C2 329463234 UHQJFIZKEPNAIK-ZSBFKXJKSA-N 306.366 1.708 30 50 DDEA OC(=Nc1cccc(-n2cnnc2O)c1)[C@@H]1C[C@@]12CCOC2 330028064 NWYPUYMLORUOKT-SWLSCSKDSA-N 300.318 1.988 30 50 DDEA C[C@H](C/N=C(/O)Cc1ccc2n[nH]cc2c1)N1CCN(C)CC1 330092989 RGVQQGGGBIYSSF-CYBMUJFWSA-N 315.421 1.698 30 50 DDEA N#Cc1ccc(CSCC(=O)[C@H](C#N)C(=O)NC2CC2)cc1 129550194 NLUQCOGTTXLJKD-AWEZNQCLSA-N 313.382 1.779 30 50 DDEA C=CCN1CCC[C@H]1C(=O)N1CC(Oc2cccc(OC)c2)C1 952961143 OIYXXNCFYWDMQY-KRWDZBQOSA-N 316.401 1.935 30 50 DDEA C#C[C@H](COC)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 583652106 ZSFQBOLKFVSQRP-GHMZBOCLSA-N 322.311 1.082 30 50 DDEA C#CCOc1cc(CNC(=O)[C@]2(C)CCCN2)ccc1OC 170593116 ZEUMDKOSOQXCBY-KRWDZBQOSA-N 302.374 1.466 30 50 DDEA COCc1ccccc1S(=O)(=O)Nc1c(C#N)c(C)nn1C 585129616 PLTFWSBKKVZBRK-UHFFFAOYSA-N 320.374 1.547 30 50 DDEA CCN/C(N)=N/CCNC(=O)c1ccc(Br)cc1 264112607 RLCVUVCRIPIYDZ-UHFFFAOYSA-N 313.199 1.103 30 50 DDEA C=CCNC(=S)N[C@@H](CC(=O)OC)c1ccc2c(c1)OCO2 13598708 QHTOJMNRQZDMFX-NSHDSACASA-N 322.386 1.670 30 50 DDEA C=CC[C@@H](CC)/N=C(/O)Nc1ccn(CCS(C)(=O)=O)n1 328598730 ODSURDXYEQVWHK-LLVKDONJSA-N 314.411 1.608 30 50 DDEA CC[C@@H](CO)N/C=C1\C(=O)CC[C@@H](C(=O)c2ccccc2)C1=O 100157190 UMQNSZXPLHKZRR-NCEVNFRTSA-N 315.369 1.662 30 50 DDEA Cc1ccc(S(=O)(=O)O[C@@H]2[C@H](C)[C@H]3CS(=O)(=O)[C@H]32)cc1 105292999 RVHXYNICLHTVQW-OJAKKHQRSA-N 316.400 1.132 30 50 DDEA N#CCNC(=O)CN1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 125545103 VHZVVUSKEFUEHW-UHFFFAOYSA-N 315.299 1.248 30 50 DDEA Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNc1ccc(C#N)cn1 366506269 NFLQSNRFROFXFT-KBPBESRZSA-N 314.368 1.711 30 50 DDEA N#CC1(c2ccccn2)CCN(C(=O)[C@@]2(O)CCSC2)CC1 374308796 FWQCFBYNVANGRG-MRXNPFEDSA-N 317.414 1.333 30 50 DDEA C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](O)C2 820505836 UGKPOSGLYXBTGY-CYBMUJFWSA-N 303.406 1.935 30 50 DDEA Cc1ccc(/C(O)=N/C2CCN([C@H]3CCN(C)C3=O)CC2)cn1 329197229 VDLQRYUYUAPCNF-HNNXBMFYSA-N 316.405 1.390 30 50 DDEA C=CCN[C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 130707761 UJMKVIBCCUHONT-CYBMUJFWSA-N 310.419 1.544 30 50 DDEA N#C[C@@H](NC(=O)c1cccc(C(=O)N[C@H](C#N)C2CC2)c1)C1CC1 161885603 RWRGYSDNRPAXAX-HZPDHXFCSA-N 322.368 1.751 30 50 DDEA CCc1ccc(C/N=C(/O)N[C@@H]2CCCS(=O)(=O)C2)s1 330697938 FWJOABSANRMCOW-SNVBAGLBSA-N 316.448 1.891 30 50 DDEA C=CCN1CC[C@@H](N(C)S(=O)(=O)CCC(C)(C)C)C1=O 330864836 URBQYIZLQCCECR-GFCCVEGCSA-N 302.440 1.471 30 50 DDEA N#Cc1c[nH]c(C(=O)N2CCN(C3CCSCC3)CC2)c1 426726885 NFTNJCJXCDNUIJ-UHFFFAOYSA-N 304.419 1.540 30 50 DDEA COc1cc(N2CCNCC2)ccc1B1OC(C)(C)C(C)(C)O1 255190572 YCGOYESAPMKKFL-UHFFFAOYSA-N 318.226 1.404 30 50 DDEA N#Cc1cncc(N[C@H]2CCO[C@@H]2c2cnn(CC3CC3)c2)n1 888078907 IRMLUKIZXMVKHZ-GOEBONIOSA-N 310.361 1.897 30 50 DDEA N#Cc1ccccc1CN1CCCN(C(=O)c2cnccn2)CC1 980645020 PXEZZVLDSFFJFJ-UHFFFAOYSA-N 321.384 1.696 30 50 DDEA C=CCc1cc(CN2CC[C@@H](O)[C@@H](O)C2)cc(OC)c1OCC 1565517120 WYLTUJIUFWILJF-CVEARBPZSA-N 321.417 1.750 30 50 DDEA C=CC[C@@H]1CCN(C(=O)Nc2csc(S(N)(=O)=O)c2)C1 640748223 SQEKSHZAQYEQJO-SECBINFHSA-N 315.420 1.825 30 50 DDEA Cc1noc(C)c1CC/N=C(/O)N[C@@H]1CCO[C@@]2(CCOC2)C1 329117955 ODKTYQQAPQIHEZ-CJNGLKHVSA-N 323.393 1.676 30 50 DDEA O=C(O)[C@H](Cc1ncc[nH]1)/N=C\c1cccc([N+](=O)[O-])c1O 104212088 ZUZIZJCOJDUNRB-JUAVFEPTSA-N 304.262 1.138 30 50 DDEA CCN(Cc1nc(COC)no1)C(=O)C1=CC(=O)CC(C)(C)O1 55384969 AIUNYMCEHOHBGO-UHFFFAOYSA-N 323.349 1.216 30 50 DDEA CC(C)(O)C#Cc1cccc(C(=O)N[C@H]2CCCCNC2=O)c1 65373012 FJCDVAQUCCMGJM-HNNXBMFYSA-N 314.385 1.208 30 50 DDEA N#Cc1cc(S(=O)(=O)c2ccc(Cl)cc2)c(N)nc1O 4002834 RLBOYZWCNDHMNA-UHFFFAOYSA-N 309.734 1.727 30 50 DDEA Cc1ccccc1-n1cc(CN2CCN(C3CC3)[C@H](C#N)C2)nn1 367357777 YAMHLDQEOQOYLR-QGZVFWFLSA-N 322.416 1.748 30 50 DDEA CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@H](O)Cc2ccccc21 332659169 ATGQLWIFWVMBEN-DDUZABMNSA-N 315.417 1.853 30 50 DDEA N#Cc1cccc(CS(=O)(=O)N2CCCN3CCC[C@H]3C2)c1 242038549 VLZNGOYAFQZIQJ-INIZCTEOSA-N 319.430 1.558 30 50 DDEA C=CCN1C[C@H](C(=O)N2CCC(CCCOC)CC2)CC1=O 584898204 XKOARGJMZBSQCE-OAHLLOKOSA-N 308.422 1.686 30 50 DDEA COC(=O)Cc1ccc(OC)cc1B1OC(C)(C)C(C)(C)O1 1875389827 OSBUSMVVUXSLQY-UHFFFAOYSA-N 306.167 1.710 30 50 DDEA C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](COCC)C1 408520152 NTNSSVIZJDLHNL-KBPBESRZSA-N 324.421 1.788 30 50 DDEA CC/C=C/CCn1cc(CN2CCOCC2)cc(C#N)c1=O 578621948 XOFFTILTTBSEFZ-ONEGZZNKSA-N 301.390 1.908 30 50 DDEA Cc1nc(N2CCN(C[C@H](O)C3CC3)CC2)c(Cl)cc1C#N 1615001835 XYKXUDBGWLVZSD-HNNXBMFYSA-N 320.824 1.808 30 50 DDEA C=CCCCS(=O)(=O)Nc1nc2n(c1C(=O)OC)CCC2 1615553436 WNCXZQPQCCUPGC-UHFFFAOYSA-N 313.379 1.324 30 50 DDEA C#CCN1C(=O)S/C(=C/c2ccc(OCC(N)=O)cc2)C1=O 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N#C[C@@H]1CCCN1C(=O)CN[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2 100013465 SYOKIDBDQMKNDQ-NHMCJKAESA-N 303.406 1.174 30 50 DDEA in-vitro C=C(C)COc1cccc(C(=O)N2CC[C@H](NC(C)=O)C2)c1 55309733 ZTFKAQSSJPYNIC-HNNXBMFYSA-N 302.374 1.992 30 50 DDEA C/N=C(/O)NCC(=O)N1CCC(/N=C(/O)c2ccsc2)CC1 330500256 NTVNYDCHNQTARU-UHFFFAOYSA-N 324.406 1.177 30 50 DDEA CC(C)N1N=C(C(=O)N2CCCC(C)(C)[C@H]2C#N)CCC1=O 372967354 MVOSVTVBYWECLH-CYBMUJFWSA-N 304.394 1.914 30 50 DDEA Cc1ccc(N2CCC[C@H](N(C)c3nccnc3C#N)C2)nn1 376496623 YLPBSWMPQMIFCU-ZDUSSCGKSA-N 309.377 1.552 30 50 DDEA N#Cc1cccc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)c1 264594399 MDZFDVUBAMODON-HNNXBMFYSA-N 319.430 1.807 30 50 DDEA N#Cc1nc(-c2ccccc2F)oc1N[C@@H]1CCS(=O)(=O)C1 826802844 IONIDDPRLIQDRX-SECBINFHSA-N 321.333 1.951 30 50 DDEA CC#CC(=O)NCc1ccc(N2CCCC[C@H]2CCO)nc1 1875363070 FXDZKXNFNRBJFI-HNNXBMFYSA-N 301.390 1.462 30 50 DDEA CC(=O)/C=C/C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 1776006041 LWFKKKFSFMABDJ-URWSZGRFSA-N 322.361 1.811 30 50 DDEA C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(C#N)c1N 585128771 NCIKGGCUJFTGHT-ZJUUUORDSA-N 307.325 1.802 30 50 DDEA Cn1cnc2c(c1=O)CCN(/C(O)=N/C[C@H]1Cc3ccccc31)C2 328621223 HOUGCSJQRKTBFP-CYBMUJFWSA-N 324.384 1.392 30 50 DDEA Cn1cnc2c(c1=O)CCN(/C(O)=N/C[C@@H]1Cc3ccccc31)C2 328621224 HOUGCSJQRKTBFP-ZDUSSCGKSA-N 324.384 1.392 30 50 DDEA CN(CC1CC1)C[C@H]1CN(C(=O)c2cccc(C#N)c2)CCO1 328651448 VXHCIVIRTPPCBX-KRWDZBQOSA-N 313.401 1.741 30 50 DDEA COc1cc(C)c(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1C 163306664 VJLBESODYQTAQZ-OAHLLOKOSA-N 324.402 1.615 30 50 DDEA CC(C)(C)n1cc(N=C(O)N2CC[C@H]3OCC(O)=N[C@@H]3C2)cn1 328588420 OUDIJAMDCOZKCH-VXGBXAGGSA-N 321.381 1.613 30 50 DDEA COCC1(/N=C(/O)c2cnn3c(C)cc(C)nc23)CCOCC1 328593158 LIMKCWYTKYEVRZ-UHFFFAOYSA-N 318.377 1.846 30 50 DDEA CNc1ccc(C(O)=Nc2ccc(CCO)cc2OC)cn1 328591274 AWSWEKMOAMAOIW-UHFFFAOYSA-N 301.346 2.303 30 50 DDEA Cn1cc([C@H]2OCC[C@@H]2/N=C(/O)COc2cccnc2)cn1 328641838 YBXHFTMFGODWRW-DZGCQCFKSA-N 302.334 1.681 30 50 DDEA Cc1ccc(NC(=O)NCCCc2[nH]nc(N)c2C#N)c(C)n1 152273977 OSLSSDBPVBBBHB-UHFFFAOYSA-N 313.365 1.630 30 50 DDEA O=C1C(Br)=C[C@@H]2[C@@H]1[C@H]1C=C[C@@]2(Br)C1=O 136439918 QPIIZGUQJCFMDJ-OHTRTQPWSA-N 317.964 1.983 30 50 DDEA CCC#CCN1C[C@@H]2c3ccc(OC)cc3OC[C@]2(C(=O)O)C1 95524329 JSZYTJIRVSFJCR-CRAIPNDOSA-N 315.369 1.971 30 50 DDEA C=CCn1c(S[C@H](C)C(=O)OC)nnc1C1CCNCC1 426578549 GLVMCHOVNIGAIS-SNVBAGLBSA-N 310.423 1.585 30 50 DDEA N#Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 245311361 OAMIMFSANFVIFG-VIHXBVFASA-N 317.348 1.945 30 50 DDEA C/C(=N\O)[C@H]1C[C@@H](C(=O)NC2(CO)CCSCC2)C1(C)C 585120754 JGZZONDJXBHVFL-VGZAMENASA-N 314.451 1.873 30 50 DDEA C[C@@H]1CN(c2nccnc2C#N)CCN1CCOc1ccccc1 155696338 XUMYSKMTIOYHSC-OAHLLOKOSA-N 323.400 1.938 30 50 DDEA CNC(=O)[C@@]1(COC)CCCN1Cc1ccc(Cl)cc1C#N 591648036 ZSJCCZYTOBBDGA-INIZCTEOSA-N 321.808 1.939 30 50 DDEA Cc1cc(N2CCC[C@@](O)(CC(=O)N(C)C)C2)c(C#N)cn1 591618050 NSGNGSWQONJIKC-MRXNPFEDSA-N 302.378 1.071 30 50 DDEA CNC(=O)[C@@]1(COC)CCCN1Cc1ccc(C#N)cc1Cl 591647773 WQTLXUDSEHYZED-INIZCTEOSA-N 321.808 1.939 30 50 DDEA C=CC1CCN(C(=O)c2cc(S(=O)(=O)CC)cnc2O)CC1 932505086 AVFZIMOBYVCFJN-UHFFFAOYSA-N 324.402 1.619 30 50 DDEA C[C@@H](NCc1cc(O)n2ncc(C#N)c2n1)c1cncc(F)c1 2325850222 QDYUKILOGOZORX-SECBINFHSA-N 312.308 1.691 30 50 DDEA C=CCn1c(SCCCC)nc2c1c(=O)n(C)c(=O)n2C 2072306 SVRUNOJAOMVGKG-UHFFFAOYSA-N 308.407 1.512 30 50 DDEA C=CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 7949479 PHFIACPDRNGVRM-LLVKDONJSA-N 314.432 1.451 30 50 DDEA C[C@H]1CN(C[C@@H](C#N)CCC#N)CCN1Cc1nccn1C 229554100 JDRBUEPHCPTOSP-LSDHHAIUSA-N 300.410 1.370 30 50 DDEA COC(=O)CCC/N=C(/O)Nc1ccc2c(c1)oc(=O)n2C 328596654 MCSJWVZUQRLGPF-UHFFFAOYSA-N 307.306 1.411 30 50 DDEA C=CCOc1ccccc1C(=O)N1CCC2(CC1)CNC(=O)C2 65530116 AHRMHWFQQPJZEZ-UHFFFAOYSA-N 314.385 1.994 30 50 DDEA CCO[C@@H]1C[C@@H](/N=C(/O)c2cnnn2CC)C12CCOCC2 329112368 HBOVTEKBGPLEBB-CHWSQXEVSA-N 308.382 1.577 30 50 DDEA O=S1(=O)CCN(/C(O)=N/CCCc2ccccc2F)CC1 330927395 YDVABAXDNWYUKU-UHFFFAOYSA-N 314.382 1.403 30 50 DDEA Cc1ccc(N2CC[C@@H](C(=O)n3ncc(C#N)c3N)C2=O)cc1C 155956251 IFTWLLYTWAOTAP-CQSZACIVSA-N 323.356 1.647 30 50 DDEA CC(C)n1cc([C@@H]2CN(c3ncccc3C#N)C[C@H]2CO)cn1 284621248 RUWIZEKRPUQGLI-HOTGVXAUSA-N 311.389 1.943 30 50 DDEA CCn1ccnc1CN1CCN(c2ncccc2C#N)C[C@H]1C 241586424 OVXFDBPKIAUPBH-CQSZACIVSA-N 310.405 1.880 30 50 DDEA Cc1[nH]c(CN2CCN(c3ncccc3C(N)=O)CC2)cc1C#N 584904191 CYQHYBZLWUVMFM-UHFFFAOYSA-N 324.388 1.011 30 50 DDEA CC1(C)OB(c2ccnc(N3CCOCC3)c2Cl)OC1(C)C 169794554 ALVOSNAIBGPIGV-UHFFFAOYSA-N 324.617 1.871 30 50 DDEA in-vitro CCN1CCN(C[C@H](C)CNc2nc(C)ccc2C#N)CC1 170604152 XIMJRMNGYBWOSE-CQSZACIVSA-N 301.438 1.947 30 50 DDEA CC1(C)OB(c2ccc(N3CCOCC3)c(C=O)c2)OC1(C)C 169965071 AHJDNKARIRRHCH-UHFFFAOYSA-N 317.194 1.635 30 50 DDEA C=CCn1cc(CN2CCN(c3ncccc3C#N)CC2)c(C)n1 55211108 PHUYUPRPAKGCPS-UHFFFAOYSA-N 322.416 1.966 30 50 DDEA Cc1c(C#N)c2ccccc2n1CC(=O)N1CCCNC(=O)C1 20586989 XBMCCPCBOWZDED-UHFFFAOYSA-N 310.357 1.170 30 50 DDEA Cc1nscc1/C(O)=N/C[C@@H]1C[C@H](F)CN1CC(=N)O 328603775 HEAKONWCSOICPW-IUCAKERBSA-N 300.359 1.704 30 50 DDEA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)Cc2ccc(C#N)cc2)C1 285266934 AGVFKCCQPQUPEV-KGLIPLIRSA-N 311.345 1.207 30 50 DDEA O=C([C@@H]1CO1)N1CCc2cc(OCC(F)(F)F)ccc2C1 1875372736 LUZWOZVGIZTINW-LBPRGKRZSA-N 301.264 1.911 30 50 DDEA C#CCCC1(CCC(=O)N[C@H]2CCc3c(nnn3C)C2)N=N1 952882673 WWIFCARZZQOUCU-NSHDSACASA-N 300.366 1.144 30 50 DDEA CC(C)n1cc([C@@]2(O)CCCN(c3ncccc3C#N)C2)nn1 583616904 XOJNTZONVRKLBM-MRXNPFEDSA-N 312.377 1.614 30 50 DDEA C=CCN1C(=O)/C(=C\c2ccc(OC)cc2)C(=O)N=C1S 1293733 JOERLLOSCJBBPG-XFXZXTDPSA-N 302.355 1.919 30 50 DDEA CN1CC[C@@H](CN(C)C(=O)C(=O)Nc2ccc(CC#N)cc2)C1 225489568 GJLQVQDCDANVEK-CQSZACIVSA-N 314.389 1.101 30 50 DDEA N#Cc1cccc([C@H]2CN(C(=O)CC3CC(CN)C3)CCO2)c1 2325797731 PBRGLDKPXXXJIK-VMBOVVBDSA-N 313.401 1.833 30 50 DDEA N#C[C@H]1C(=O)NC(=O)[C@@H](C#N)C1(c1ccccc1)c1ccccc1 3132432 QULCWRSUJTZULH-IYBDPMFKSA-N 315.332 1.909 30 50 DDEA N#Cc1cnc(N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cn1 128149922 QNRIZDVRVLHDCF-FZMZJTMJSA-N 302.284 1.939 30 50 DDEA CN1CCC(/N=C(/O)N(C)C[C@@H]2CCn3ccnc3C2)CC1 328625569 KWRUTBAZSKCKOY-CYBMUJFWSA-N 305.426 1.386 30 50 DDEA C=CCN(Cc1ccco1)C(=O)C[C@@H]1C[C@@H](C)NC(=S)N1 65375814 QSUYBMUMGBDKKR-NEPJUHHUSA-N 307.419 1.809 30 50 DDEA CC(C)[C@H](O)CC(=O)N1CCC(C#N)(c2ccccn2)CC1 374391288 XFPKFDLSQRFHLL-CQSZACIVSA-N 301.390 1.872 30 50 DDEA CC1(C)C[C@H](NC[C@]2(C#N)C[C@H]2S(C)(=O)=O)C(C)(C)O1 1875368028 JQHLTWUNCXJBIA-MISXGVKJSA-N 300.424 1.249 30 50 DDEA C=C(C)CN1CCN(C(=O)c2ccccc2-n2cnnc2)CC1 952961474 LHILTKQFTQTFRF-UHFFFAOYSA-N 311.389 1.601 30 50 DDEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)[C@@H](C)n2cncn2)cn1 328619831 GGOVCVBVGQNAPK-KWCYVHTRSA-N 318.381 1.932 30 50 DDEA N#Cc1ccc(N2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 267368032 JHHZNGIBCYUWON-GOSISDBHSA-N 308.385 1.809 30 50 DDEA C#CCNC(=O)CNC(=O)c1scc(C)c1Br 225414203 UICKNYXJIBQXEV-UHFFFAOYSA-N 315.192 1.298 30 50 DDEA CN1C(=O)C[C@@H](CNc2ncccc2C#N)[C@@H]1c1cnn(C)c1 328609575 FARYUMNVKGOVBI-SWLSCSKDSA-N 310.361 1.318 30 50 DDEA CC[C@@H](CSC)/N=C(/O)N1CCc2c(ncn(C)c2=O)C1 328630640 QBNUNCLGVIKKTB-JTQLQIEISA-N 310.423 1.194 30 50 DDEA CN1C(=O)C[C@@H](CNc2nccnc2C#N)[C@@H]1c1ccccc1 373682645 PMYPFZHQINZNKR-BBRMVZONSA-N 307.357 1.980 30 50 DDEA Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CO3)CC2)cc1Cl 1875372571 IODDPUFBCWHCIH-ZDUSSCGKSA-N 323.780 1.723 30 50 DDEA Cc1ccc2[nH]cc(C#N)c(=N[C@H]3C[C@@H](O)[C@@H]3n3cccn3)c2c1 886088536 IVGSSISNCSKIBO-LZLYRXPVSA-N 319.368 1.820 30 50 DDEA C=CC(C)(C)CCNC(=O)C(=O)NCCC(=O)N[C@@H](C)CC 636591129 XHUQFDGPTQAFHD-LBPRGKRZSA-N 311.426 1.126 30 50 DDEA C=CCOc1ccccc1C(=O)N[C@H](C)[C@@H]1CN(C)CCN1C 585130250 LENIWPSAKWNBHF-ZBFHGGJFSA-N 317.433 1.616 30 50 DDEA C#CCCC1(CCNC(=O)C(=O)c2c(C)nn(C)c2C)N=N1 2325891081 PRUCJGIXKJFMIJ-UHFFFAOYSA-N 301.350 1.301 30 50 DDEA CNc1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)ccn1 65488186 JGQRKKYLYATHHG-UHFFFAOYSA-N 321.384 1.957 30 50 DDEA C[C@@H]1C[C@H](N2CCCC2)CN1/C(O)=N/CC1([S@@](C)=O)CC1 329455775 MROIWVHWEVKPJA-RRMDADRESA-N 313.467 1.370 30 50 DDEA C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@](C)(C(=O)O)C1 237544510 GCMHRXHWFPGSFG-BDJLRTHQSA-N 302.330 1.649 30 50 DDEA CC(C)c1ccc(C#N)c(N2CCO[C@H](C(=O)N(C)C)C2)n1 670457857 DRHKYKFONLYHPY-AWEZNQCLSA-N 302.378 1.370 30 50 DDEA N#Cc1cncnc1N1CCC([C@@H]2CC[C@H](C(=O)O)O2)CC1 1775958031 YMPJYZWRBYBWSN-QWHCGFSZSA-N 302.334 1.197 30 50 DDEA CC(C)CN1C[C@H](C(=O)NCc2cncc(C#N)c2)CC1=O 1363596655 WIJDKDSPUMTCMW-CQSZACIVSA-N 300.362 1.074 30 50 DDEA C=CCN(CC(=O)O)S(=O)(=O)c1ccc(OC)c(C)c1C 275243475 GWCFOKNWWSMLRH-UHFFFAOYSA-N 313.375 1.573 30 50 DDEA C=CCNc1ncnc2sc(C(=O)NC[C@@H](C)O)c(C)c12 14960034 QOVAYLBGOATIQJ-MRVPVSSYSA-N 306.391 1.708 30 50 DDEA COc1ccccc1[C@H]1C(C(C)=O)=C(O)C(=O)N1CCN(C)C 19882015 DAHDWGDXTRCBLF-HNNXBMFYSA-N 318.373 1.541 30 50 DDEA CC1(C)OB(c2cnn(CCO[C@@H]3CCCCO3)c2)OC1(C)C 169810057 YWRBLSYOLXMZGA-CQSZACIVSA-N 322.214 1.726 30 50 DDEA C=CCCC(=O)N1CCC[C@]2(C1)CN(C(=O)CCC)CC[C@H]2O 1857702839 QIVCYZSONGAVRG-QAPCUYQASA-N 322.449 1.955 30 50 DDEA CCN1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1nccn1C 328631037 QMGCRDGNEJKYER-AWEZNQCLSA-N 312.377 1.139 30 50 DDEA Cc1cc(N2CCO[C@@H](C)C2)nc(N2CCO[C@H](C)C2)c1C#N 245339210 RFBQSOAHCBWCNW-UONOGXRCSA-N 316.405 1.712 30 50 DDEA N#Cc1cc(F)ccc1S(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)O)C2 263463402 FHKNNUBIKBGMCT-SRVKXCTJSA-N 324.333 1.324 30 50 DDEA N#Cc1cc2c(=O)n(C[C@H](O)Cc3ccccc3)ccc2[nH]c1=O 67946407 NJMHZJFPANMFAT-CQSZACIVSA-N 321.336 1.165 30 50 DDEA N#Cc1c[nH]c(C(=O)Nc2ccccc2CN2CCOCC2)c1 177582894 GZPZOPVOFYARDB-UHFFFAOYSA-N 310.357 1.971 30 50 DDEA C[C@]1(C#N)CCCN(C(=O)c2sccc2S(N)(=O)=O)C1 215732965 PNQBRFONIJYTRF-GFCCVEGCSA-N 313.404 1.161 30 50 DDEA CC(C)n1cc([C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2CO)cn1 284654491 VQBILRBZEOLCAB-ZFWWWQNUSA-N 312.377 1.338 30 50 DDEA CN(C)c1cc(NN=Cc2ccc(O)cc2O)nc(N(C)C)n1 254826874 APTXHSNPRITVSR-UHFFFAOYSA-N 316.365 1.466 30 50 DDEA CN1CCC[C@]2(C(=O)O)CCN(c3cccc(C#N)n3)C[C@@H]12 1704338380 SCSVDQRHPCPWAL-CJNGLKHVSA-N 300.362 1.329 30 50 DDEA COc1ccc2c(c1)/C(=N/N1C(=O)c3ccccc3C1=O)C(=O)N2 450649 ZJPZYRZFXBVEHQ-UHFFFAOYSA-N 321.292 1.648 30 50 DDEA CC1(C)OB(c2ccc(NC[C@@H]3CCCO3)nc2)OC1(C)C 214108091 PXYGHZWAAXGHNE-ZDUSSCGKSA-N 304.199 1.972 30 50 DDEA in-vitro CCC[C@@H](C#N)NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 585129594 OUTZOTZLHYFRDZ-JTQLQIEISA-N 315.782 1.409 30 50 DDEA N#Cc1ccc(NC(=O)CCCn2cnc([N+](=O)[O-])n2)cc1 2882089 OPRPJLHXGZYEHH-UHFFFAOYSA-N 300.278 1.477 30 50 DDEA C#CCOc1ccc(C(=O)N2CCN(C(=O)OCC)CC2)cc1 6746637 MUWNTXUYGDZZJL-UHFFFAOYSA-N 316.357 1.613 30 50 DDEA C=CCOc1ccc(C(=O)N[C@@H](C)c2nnn[nH]2)cc1OCC 55369763 RBVWDWMRWAMURJ-JTQLQIEISA-N 317.349 1.654 30 50 DDEA CCCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 100056955 HICSQFRUQXWIGI-QMIVOQANSA-N 322.467 1.270 30 50 DDEA OCc1ccccc1C/N=C(/O)c1c[nH]nc1[C@H]1CCOC1 328632114 ROXJMDFBIQXKTH-ZDUSSCGKSA-N 301.346 1.911 30 50 DDEA Cc1cc(NC(=O)[C@]2(O)CCc3ccccc3C2)nn1CCC#N 375033669 ADOIGBAJBCXSRA-SFHVURJKSA-N 324.384 1.964 30 50 DDEA COCCC1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCC1 161100019 FEORKWIWIAODPT-UHFFFAOYSA-N 322.386 1.570 30 50 DDEA C[C@H]1[C@@]2(O)C[C@H](c3ccccc3)C(C#N)(C#N)[C@@]1(C#N)C(=O)N2 239284843 CDQRUXMHJJPZRU-ZPUIDXCVSA-N 306.325 1.172 30 50 DDEA C=CC(=O)N1CCC(C(=O)Nc2cc(C)nn2CCC#N)CC1 1875369471 QFSQNDKEGNGCDF-UHFFFAOYSA-N 315.377 1.468 30 50 DDEA CC(=O)N1C[C@H](Nc2cnc(C#N)cn2)CC[C@H]1C(F)(F)F 886039160 NMKLSGFGURZNAL-KOLCDFICSA-N 313.283 1.702 30 50 DDEA CN(C)C(=O)CCN1CCN(c2ccc(C#N)cc2Cl)CC1 277772326 NCFRBFBMLFWOBL-UHFFFAOYSA-N 320.824 1.812 30 50 DDEA CCO[C@@H]1C[C@H](/N=C(/NC)NCc2ccco2)[C@]12CCCO2 225351289 XGCLMUZMAUXQLK-SQWLQELKSA-N 307.394 1.671 30 50 DDEA Cc1nc(C)c(C(=O)N2CCc3[nH]c(=O)c(C#N)cc3C2)s1 225682966 FYEDWBSCEXZJQF-UHFFFAOYSA-N 314.370 1.518 30 50 DDEA C/N=C1/S[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)C(=O)N1C 13471205 JIOBBHALQVZNCZ-VVLLMFOMSA-N 320.418 1.641 30 50 DDEA COc1cc(/C(O)=N/[C@H]2CCCN(c3nccnc3O)C2)on1 328656043 ZAHPUMNFPRBGEP-VIFPVBQESA-N 319.321 1.152 30 50 DDEA COc1cc(C#N)ccc1CN[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 591665415 XSHUFCIETCOCQC-BBWFWOEESA-N 315.417 1.644 30 50 DDEA C#CCCC1(CCC(=O)N(C)CC(=O)N=c2cc[nH]cc2)N=N1 2325900366 VNMIUJBMTVUBLQ-UHFFFAOYSA-N 313.361 1.256 30 50 DDEA C#CCCC1(CCC(=O)NCCn2nc(C(=O)O)cc2C)N=N1 2325900703 GKRUPVLTQZCFEL-UHFFFAOYSA-N 317.349 1.362 30 50 DDEA C=CCOc1ccc(NC(=O)C(=O)NCc2cccnc2)cc1 2869114 LZWFIGVFQUKLCC-UHFFFAOYSA-N 311.341 1.901 30 50 DDEA C[C@@H]1[C@@H](Nc2cncc(C#N)n2)CC(=O)N1Cc1ccccc1 420625277 KWRWAFFQUWURHJ-DOMZBBRYSA-N 307.357 1.950 30 50 DDEA C[C@](O)(CCc1ccccc1)C(=O)N1CCN(CC#N)CC1 283346059 XLWNSNCXMGKQMD-KRWDZBQOSA-N 301.390 1.038 30 50 DDEA CCOC1CC(CNc2nccnc2C#N)(N2CCOCC2)C1 253425692 VXZMUNFSNJJWJV-UHFFFAOYSA-N 317.393 1.030 30 50 DDEA CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(c2cccnc2C#N)C1 368112755 JCZUFVIMPUTUOP-GFCCVEGCSA-N 324.388 1.762 30 50 DDEA C=CCN1C[C@H](C(=O)Nc2ccc(O)c(OC)c2)CCC1=O 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JYPRQAVPZHQYGO-LBPRGKRZSA-N 321.289 1.526 30 50 DDEA CC(O)=Nc1ccn([C@H]2CCN(C(=O)CC3(O)CCCC3)C2)n1 328611217 KROJGBNTTAYRKY-ZDUSSCGKSA-N 320.393 1.960 30 50 DDEA N#C[C@@H]1COCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 173582557 MCUXPHBXESDTTR-CQSZACIVSA-N 306.387 1.478 30 50 DDEA CC(C)(O)C#Cc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 426547707 XAIFCWDXUUDVIJ-OAHLLOKOSA-N 315.369 1.888 30 50 DDEA C=CCN1C[C@@H](C(=O)N2CCC(CCCOC)CC2)CC1=O 584898203 XKOARGJMZBSQCE-HNNXBMFYSA-N 308.422 1.686 30 50 DDEA Cc1nc(C)c2c(n1)O[C@@H](CN1CCCn3nc(C#N)cc3C1)C2 670473495 ORFCQWFDMOFGAU-OAHLLOKOSA-N 324.388 1.371 30 50 DDEA N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2nnc(N)o2)C1 585092538 CWPQMJLIZIEKCX-VIFPVBQESA-N 314.305 1.816 30 50 DDEA CCc1nc(C#N)cc(N2C[C@@H](OC)C[C@H]2CN2CCCC2)n1 596234414 QOOHEWAFXSPDRI-GJZGRUSLSA-N 315.421 1.600 30 50 DDEA C=CCSc1nc(NC)nc(Oc2ccc(=O)n(C)n2)n1 16264992 WCWHZUALXULIIT-UHFFFAOYSA-N 306.351 1.077 30 50 DDEA C=CCN(C(=O)[C@@H]1Cc2cc(C)ccc2S1(=O)=O)C1CC1 1615549286 MEEXOXVJCGXXIL-HNNXBMFYSA-N 305.399 1.870 30 50 DDEA COC(=O)CN1CCC[C@@H](C/N=C(/O)c2c[nH]c(C#N)c2)C1 328592123 FLTPZEWLFGSEQP-NSHDSACASA-N 304.350 1.076 30 50 DDEA COC1(C(=O)N2CCN(c3cccc(C#N)n3)CC2)CCC1 354909001 ZIVYLMNQZAASFA-UHFFFAOYSA-N 300.362 1.171 30 50 DDEA C=CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 2998082 GSNPRVHLLSWPTC-UHFFFAOYSA-N 322.430 1.698 30 50 DDEA COc1cc(CNC(=O)N2C[C@@H](F)C[C@@H]2CO)ccc1C#N 360634434 OVNDZJRMLLVSQS-QWHCGFSZSA-N 307.325 1.181 30 50 DDEA COCCN(Cc1c(C)nn(C)c1C)C(=O)c1cc(C#N)c[nH]1 426722448 OULYXKCQXFUMHI-UHFFFAOYSA-N 315.377 1.526 30 50 DDEA N#Cc1cccc(N2C[C@H](CO)[C@H](CN3CCCCCC3)C2)n1 91943396 QMUGYTRBFMYDRK-HZPDHXFCSA-N 314.433 1.874 30 50 DDEA C[C@@H]1[C@@]2(O)C[C@H](c3ccccc3)C(C#N)(C#N)[C@@]1(C#N)C(=O)N2 239284842 CDQRUXMHJJPZRU-AADNMHCOSA-N 306.325 1.172 30 50 DDEA CN1CC[C@H](CN(C)C(=O)c2c[nH]nc2-c2ccc(C#N)cc2)C1 1875316044 RTMGKBFMXPUWGC-AWEZNQCLSA-N 323.400 1.972 30 50 DDEA N#Cc1ccnc(N[C@H]2CCO[C@@H]2c2cnn(CC3CC3)c2)n1 888078893 GWNRDPDRAMCWEW-LSDHHAIUSA-N 310.361 1.897 30 50 DDEA Cc1ccc(C(=O)O/N=C(\N)c2cccnc2)cc1[N+](=O)[O-] 5073040 IQLLVOHXYWKCFZ-UHFFFAOYSA-N 300.274 1.776 30 50 DDEA C#CCN1CC(=O)N(COC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)C1=O 5159038 VPRAQYXPZIFIOH-TZMCWYRMSA-N 318.373 1.623 30 50 DDEA biogenic,in-man C=CCOc1ccccc1C(=O)N[C@H](C)c1nnc(O)n1C 585130707 ZLLXPNGKRUTIHA-SNVBAGLBSA-N 302.334 1.577 30 50 DDEA C=CCNS(=O)(=O)c1ccc2nc(NC(C)=O)sc2c1 2710379 LPRWTBBZLSMILH-UHFFFAOYSA-N 311.388 1.719 30 50 DDEA CCNC(=O)C[C@H]1SC(N/N=C(\C)c2ccccc2)=NC1=O 6594405 QLEUGULYDGUAQY-SGEFVQMOSA-N 318.402 1.524 30 50 DDEA Cc1nc2cc(C(=O)O)cc(B3OC(C)(C)C(C)(C)O3)c2n1C 170008458 ROAJKTPIFUIOGY-UHFFFAOYSA-N 316.166 1.879 30 50 DDEA CC1(C)OB(c2ccc(CS(C)(=O)=O)cc2F)OC1(C)C 170017352 CNPMRBHMOWMMBY-UHFFFAOYSA-N 314.187 1.670 30 50 DDEA Cn1ncc2c1CCCN(S(=O)(=O)c1cccc(C#N)c1)C2 333147204 DUDKFZRWAZJVCU-UHFFFAOYSA-N 316.386 1.429 30 50 DDEA CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#CC(C)(C)O)o1 220541805 XWXPSDIKLXOOIF-KGLIPLIRSA-N 316.401 1.711 30 50 DDEA C=C(Br)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 162249266 DDHZDBIFWBEOFZ-LBPRGKRZSA-N 316.243 1.133 30 50 DDEA N#Cc1nccnc1N1CCN(Cc2ccccc2)C[C@H](O)C1 225334305 LOKABVVXEAAFJS-HNNXBMFYSA-N 309.373 1.031 30 50 DDEA CC(C)[C@]1(O)CN(C(=O)c2ccc(C#CC(C)(C)O)o2)C[C@H]1C 91663626 NFSUUJHJFHINRR-FZKQIMNGSA-N 319.401 1.881 30 50 DDEA COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(CN(C)C)c1 575442767 XZNSGDQRCPEUML-UHFFFAOYSA-N 319.210 1.834 30 50 DDEA O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[C@@H]1CO1 1875372508 HGMHBDGBMXDCKO-GXTWGEPZSA-N 315.291 1.922 30 50 DDEA COC(=O)[C@@H]1CCCN1C1CCN(c2ccc(C#N)cn2)CC1 1615585276 AIYAYKNRYGNQGC-HNNXBMFYSA-N 314.389 1.559 30 50 DDEA CCn1cc(/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)cn1 328650597 VOFKTHKIIHELKF-UHFFFAOYSA-N 320.393 1.535 30 50 DDEA N#Cc1cc(F)cc(C(=O)N2CCC3(CC2)CNC(=O)C3)c1 77355469 LAASSTOBBJIYHS-UHFFFAOYSA-N 301.321 1.440 30 50 DDEA N#C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)CCN1C1CC1 370968766 NLOBCVJFMOCMOF-KRWDZBQOSA-N 321.384 1.685 30 50 DDEA CC1(C)OB(c2ccc(CN3CC[C@@H](O)C3)cc2)OC1(C)C 204753114 SBYUJLXMCLUPCB-OAHLLOKOSA-N 303.211 1.552 30 50 DDEA CC1(C)C[C@H](N)CN1S(=O)(=O)c1ccc(C2(C#N)CC2)cc1 2325783538 FEAJMFUZIYZLEE-ZDUSSCGKSA-N 319.430 1.742 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H]2CN(C)C(=O)c3ccccc32)N=N1 2325890928 DFKMYWQEVMZDQB-OAHLLOKOSA-N 324.384 1.938 30 50 DDEA C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCSC(C)(C)C1 907751519 IYXWEZJSTXTMCB-GHMZBOCLSA-N 305.469 1.586 30 50 DDEA CCCCCCCn1c(=O)c2c(nc3n2CCS3)n(C)c1=O 59727712 YGMMOLBHAGLKAL-UHFFFAOYSA-N 322.434 1.973 30 50 DDEA C[C@H]1CCCN(CCn2ccc3nc(O)c(C#N)cc3c2=O)C1 67654354 OTTMROYAWYNEDA-LBPRGKRZSA-N 312.373 1.706 30 50 DDEA C[C@@H]1Oc2c(cc(F)cc2B2OC(C)(C)C(C)(C)O2)NC1=O 170007237 QOBKXKPVXFPTJN-QMMMGPOBSA-N 307.130 1.844 30 50 DDEA CC1=CCN(/C(O)=N/CC2(S(C)(=O)=O)CCCC2)CC1 329718884 ZNWZONQRUQHSRL-UHFFFAOYSA-N 300.424 1.910 30 50 DDEA Cc1cccc(S(=O)(=O)N2CCC[C@H]([C@@H](C)N)C2)c1C#N 237330196 KVEYPKMAZCWTQP-OLZOCXBDSA-N 307.419 1.615 30 50 DDEA O=[N+]([O-])c1ccc(/C=N\NS(=O)(=O)c2ccc(F)cc2)o1 15933689 JVHDYNCSHJVUTP-QPEQYQDCSA-N 313.266 1.639 30 50 DDEA CC#CC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 277435802 NFEPUWWHKNQFJY-UHFFFAOYSA-N 309.369 1.405 30 50 DDEA C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c(C)c2)C1=O 281602206 RXMJRDKSJHDHLZ-HNNXBMFYSA-N 322.430 1.711 30 50 DDEA C#CCCCC(=O)NC[C@H](Cc1ccc(O)c(F)c1)C(=O)OC 408521837 PKFQOIYYWGAIAX-ZDUSSCGKSA-N 321.348 1.783 30 50 DDEA C=CC[C@@H](NC(=O)c1ccc2nnc(O)n2c1)c1ccncc1 762697280 HXRKISUPMDLFPN-CYBMUJFWSA-N 309.329 1.877 30 50 DDEA COc1ccc(N/C(S)=N\[C@H]2CCS(=O)(=O)C2)cc1 8683653 BLGISOHAFZNJEE-JTQLQIEISA-N 300.405 1.580 30 50 DDEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)C1CCN(C(=O)COC)CC1 65380775 ZVTRPERFWHSOQW-GDBMZVCRSA-N 320.433 1.993 30 50 DDEA N#Cc1cc(N2CCO[C@@H]([C@H]3CCCO3)C2)ccc1[N+](=O)[O-] 253369670 GNQDXTSJGCYFEY-HUUCEWRRSA-N 303.318 1.851 30 50 DDEA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2cc(C#N)n(C)c2)C1 284465784 DCWAWKOCBHLKLL-HOTGVXAUSA-N 316.405 1.108 30 50 DDEA N#Cc1cc2c(nc1N1CCCn3nc(CO)cc3C1)CCCC2 217162321 DIXVNCJDCPVXML-UHFFFAOYSA-N 323.400 1.931 30 50 DDEA CC(C)(C)C#CC(=O)N1CCCC[C@@H]1c1n[nH]cc1C(N)=O 685942724 UNYQYFKDBBDZBK-GFCCVEGCSA-N 302.378 1.612 30 50 DDEA Cc1nc(C#N)cc(N2CCC[C@H](CN3CCOCC3)C2)n1 585132968 KULNOFRSGMVWOB-CQSZACIVSA-N 301.394 1.205 30 50 DDEA Cc1ccc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)nc1C#N 302729953 VCTRQOQEWWKMAK-CQSZACIVSA-N 314.389 1.337 30 50 DDEA CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)C#CC1CC1 855065916 SMGWWZNFRBSXFU-CXAGYDPISA-N 314.389 1.313 30 50 DDEA C#CCCC1(CCNC(=O)c2cccnc2-c2nncn2C)N=N1 2325891457 HTZJBHPQWBMAKR-UHFFFAOYSA-N 323.360 1.573 30 50 DDEA N#Cc1cc2c(=O)n(Cc3cnc4c(c3)CCC4)ccc2nc1O 67714562 DAPUNOVELMKQPF-UHFFFAOYSA-N 318.336 1.906 30 50 DDEA CCc1nsc(N2CC[C@@](/N=C(/C)O)(c3noc(C)n3)C2)n1 328611103 KLJQBSCYXFKXPB-ZDUSSCGKSA-N 322.394 1.874 30 50 DDEA N#Cc1cnc(N[C@H]2CC(=O)N(CCOc3ccccc3)C2)cn1 125497206 JTPJXNOVVLFNIG-ZDUSSCGKSA-N 323.356 1.440 30 50 DDEA COCCN1CCC[C@H](CN(C)C(=O)c2cc(C#N)c[nH]2)C1 584891606 DFDSNUFIJSASGW-CYBMUJFWSA-N 304.394 1.317 30 50 DDEA CNC(=O)[C@]12CCOC[C@H]1CN(c1cccc(F)c1C#N)C2 952850718 OTAPMLMBKPASSW-BZNIZROVSA-N 303.337 1.286 30 50 DDEA CCON=C[C@@H]1C(=O)CC(C)(C)[C@](Cl)(C(=O)OC)C1=O 954193950 SIWQFKOPRRMTNM-AMIZOPFISA-N 303.742 1.344 30 50 DDEA C#CCOc1cc(C(=O)N2CCC[C@@H](OC)C2)ccc1OC 1506398777 FQCWTUIXZCWJKD-CQSZACIVSA-N 303.358 1.958 30 50 DDEA C[C@@H]1CN2C[C@@H](NC(=O)c3ccc(C#N)cc3F)C[C@H]2CO1 1857728932 GGIZAHDPGHHSMU-WXHSDQCUSA-N 303.337 1.289 30 50 DDEA CC(C)n1cc(S(=O)(=O)N(CC#N)c2ccccn2)cn1 585129858 ZWKGRHLUCWMFHC-UHFFFAOYSA-N 305.363 1.578 30 50 DDEA CC(C)(C)S(=O)(=O)/C(C#N)=N\Nc1ccc2c(c1)OCO2 12855900 PYVIIBZQTUSBQE-VBKFSLOCSA-N 309.347 1.878 30 50 DDEA Cn1cc([C@H]2OCCC[C@@H]2/N=C(/O)COC[C@@H]2CCCO2)cn1 328630243 PQMUQGVWKXGUOL-OFQRWUPVSA-N 323.393 1.792 30 50 DDEA N#Cc1ccnc(N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)c1 284829106 VOENWSOBUFADFS-DZGCQCFKSA-N 300.362 1.060 30 50 DDEA C=CCn1c(CN2CC[C@@]3(CC(=O)NC3=O)C2)nc2ccccc21 82120797 WKUQCWSOHKXGHS-GOSISDBHSA-N 324.384 1.461 30 50 DDEA C=CC[C@]1(CO)CCCN(C(=O)C2CCN(CCOC)CC2)C1 91706729 FJOLAJFSYGDXCX-SFHVURJKSA-N 324.465 1.522 30 50 DDEA N#Cc1cccnc1N1CCN(CCN2C[C@H]3CC[C@@H]2C3)CC1 244691927 JLMCXEZBNXFZIX-DOTOQJQBSA-N 311.433 1.560 30 50 DDEA Cc1ccc(N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)nc1C#N 408473405 AQFMJEOHJTZPLO-XJKSGUPXSA-N 314.389 1.369 30 50 DDEA N#Cc1cc2cccnc2nc1N1CCC[C@@H]1[C@H]1COCC[C@@H]1O 596227502 ZSZYUNQPOBGIND-OAGGEKHMSA-N 324.384 1.868 30 50 DDEA C=CCN1C[C@@H](C(=O)Nc2cnn(Cc3ccccc3)c2)CC1=O 1529168182 YSVRRRRQPYNJJR-HNNXBMFYSA-N 324.384 1.904 30 50 DDEA CCOc1ccc2nc(N/C(N)=N\S(C)(=O)=O)nc(C)c2c1 17118382 KDNISXLTMMTRBA-UHFFFAOYSA-N 323.378 1.023 30 50 DDEA N#Cc1cc(F)ccc1CN1CCC[C@@](O)(Cn2ccnn2)C1 331718479 JCQVQPDIXYBTLC-INIZCTEOSA-N 315.352 1.316 30 50 DDEA C#CC[C@H]1COCCN1C(=O)N=c1cc(C2CCCC2)n(C)[nH]1 2325794613 KDSUPJAOYSFSIK-AWEZNQCLSA-N 316.405 1.756 30 50 DDEA Cc1nnc(NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)c(C#N)c1C 229218949 AMIAPNNIFXMPOS-SRVKXCTJSA-N 303.410 1.875 30 50 DDEA Cn1cc(N2CC[C@@H](NCc3cnc4ccc(C#N)cn34)C2)cn1 367697511 KDECVXFMUDLDHA-CQSZACIVSA-N 321.388 1.308 30 50 DDEA C[C@@H]1[C@@]2(O)C[C@@H](c3ccccc3)C(C#N)(C#N)[C@@]1(C#N)C(=O)N2 136136203 CDQRUXMHJJPZRU-BHADISHBSA-N 306.325 1.172 30 50 DDEA N#Cc1cnn(-c2ccc(NC(=O)[C@H]3[C@H]4C(=O)CC[C@H]43)cc2)c1 1875299609 PWDIFHLFCJGBGB-FVQBIDKESA-N 306.325 1.908 30 50 DDEA CN(C)Cc1cc(O[C@H]2CCN(c3nccnc3C#N)C2)ccn1 886046107 CQSJTVDYWNBJJW-HNNXBMFYSA-N 324.388 1.463 30 50 DDEA C=C(C)C[C@@H](NS(=O)(=O)c1cc(F)ccc1OC)C(=O)O 630438744 YCCHWGMIRLADKM-SNVBAGLBSA-N 317.338 1.532 30 50 DDEA COc1cc(C#N)ccc1S(=O)(=O)N(C)[C@@](C)(C#N)C1CC1 194815192 BMILIRQLIHUTGK-HNNXBMFYSA-N 319.386 1.880 30 50 DDEA CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc(C#N)ccn1 195578586 NIMZIEOJBKYFDG-UHFFFAOYSA-N 319.390 1.612 30 50 DDEA C=CCn1c(CNC(=O)c2cc(C)nn2C)nnc1SC 15069403 OWSPGJNNALOLAB-UHFFFAOYSA-N 306.395 1.158 30 50 DDEA C=CCN(C)C[C@]1(O)CCCN(CCc2ccccc2)C1=O 67756930 YVIDNXZVGGYSIQ-GOSISDBHSA-N 302.418 1.700 30 50 DDEA Cc1ccnc(N2CC[C@H](c3cc(O)nc(N(C)C)n3)C2)c1C#N 864313874 YYGJQWKLXIELDJ-LBPRGKRZSA-N 324.388 1.817 30 50 DDEA C=CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1COCCO1 888101093 ZRHFAMDKKSVHAY-KBPBESRZSA-N 322.409 1.557 30 50 DDEA CN1CCN(C(=O)c2cccc(C#N)c2)C[C@@H]1c1nccn1C 276767490 TWVBVFKVSKPKDN-OAHLLOKOSA-N 309.373 1.421 30 50 DDEA C=CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1OC)C(=O)O 159601899 GEXUCQNZQWAACT-VIFPVBQESA-N 319.766 1.656 30 50 DDEA C#CCCC1(CCC(=O)N2CCc3[nH]nc(O)c3CC2)N=N1 2325886314 JMLJLHXPSTWFBO-UHFFFAOYSA-N 301.350 1.398 30 50 DDEA CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(O)cc1 381178 PQOOTEIRYZYTSD-DZGCQCFKSA-N 317.341 1.856 30 50 DDEA C=CCOC(=O)CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 2891998 ZVPZNVSCCRUOAM-UHFFFAOYSA-N 304.258 1.310 30 50 DDEA C=CCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OC 2931051 KIBBVHJBZGIIRV-UHFFFAOYSA-N 318.354 1.174 30 50 DDEA C=CCNC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 2967074 FYZVQTBGMVRWTK-NSHDSACASA-N 312.391 1.152 30 50 DDEA COC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] 170004047 RGJUYDSLBAPCMZ-UHFFFAOYSA-N 321.138 1.610 30 50 DDEA CCN1CCN(C(=O)c2ccc(C#N)cn2)C[C@@H]1c1nccn1C 328636505 VNAFWAFUKWKMFR-OAHLLOKOSA-N 324.388 1.206 30 50 DDEA N#Cc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)s1 331125690 RBAZLHVUVFVSJH-UHFFFAOYSA-N 312.398 1.973 30 50 DDEA C=CCn1ncc(CN2CCN(C3CCCC3)C(=O)C2)c1C 820505239 CWSNUWYPABFIJV-UHFFFAOYSA-N 302.422 1.964 30 50 DDEA CCN1CCC[C@H]1CN/C=C1/C(=O)Oc2ccccc2C1=O 823110165 BWMDSQKSXPOGND-SEVUAYLXSA-N 300.358 1.746 30 50 DDEA C#CCCC1(CCC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)N=N1 952881194 LLUNCCGMDORWQA-KGLIPLIRSA-N 305.378 1.749 30 50 DDEA CC(C)(O)C#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](O)C3)c1 952972238 OMXJBNONRMHDDD-FVQHAEBGSA-N 313.397 1.937 30 50 DDEA CN1C(=O)C[C@@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1cccnc1 1775958952 JTILXNDZPRUMGD-ZBFHGGJFSA-N 321.340 1.050 30 50 DDEA CN(Cc1cc(C#CCO)cs1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704338217 PEQPOVIBFQVYAB-QLFBSQMISA-N 318.442 1.438 30 50 DDEA CC/N=C(/NCCOCC)N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1 240668582 HNPDQDLVFNCTOP-JYJNAYRXSA-N 308.470 1.405 30 50 DDEA N#Cc1ccc(CN2CC[C@H](NC(=O)NCC(F)F)C2=O)cc1 170090621 IDZLHXSYEQIPJP-LBPRGKRZSA-N 322.315 1.223 30 50 DDEA Cc1nc(C#N)c(N)nc1N1CCN([C@H](C)C(F)(F)F)CC1 225652637 RSYVPVJVEPWICI-SECBINFHSA-N 314.315 1.312 30 50 DDEA CN(Cc1cc(C#CCO)cs1)C1CCS(=O)(=O)CC1 710642213 RLJMASRNJQANMK-UHFFFAOYSA-N 313.444 1.101 30 50 DDEA CC#CCNC(=O)C[C@]1(O)CCCN(Cc2ccccc2)C1 585088695 RWDBRRSLBOIBAB-GOSISDBHSA-N 300.402 1.543 30 50 DDEA CC1(C)OB(c2ccc(F)cc2CN2CCOCC2)OC1(C)C 169956083 BUXFUVTYXQTWAG-UHFFFAOYSA-N 321.201 1.957 30 50 DDEA CC1(C)OB(c2cccc(NS(=O)(=O)C3CC3)c2)OC1(C)C 203594401 COTRKDXBVFNBBW-UHFFFAOYSA-N 323.223 1.890 30 50 DDEA Cc1noc(C)c1CC/N=C(/O)N[C@@H]1CCO[C@]2(CCOC2)C1 329117957 ODKTYQQAPQIHEZ-CZUORRHYSA-N 323.393 1.676 30 50 DDEA CCN(CCC#N)C(=O)CN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 337246357 COZGAOZXCZTRNF-ARFHVFGLSA-N 307.438 1.764 30 50 DDEA N#Cc1c(CN2CCC[C@@](O)(CC(N)=O)C2)cn2ccccc12 591645523 QGFORLXLVDVVNE-QGZVFWFLSA-N 312.373 1.013 30 50 DDEA C=CCNC(=O)N1CCC(Cc2nnc(SC)n2C)CC1 55167540 JVHWKMWXMSCSRL-UHFFFAOYSA-N 309.439 1.687 30 50 DDEA C=CCn1c(=N)c(C(=O)NCC)cc2c(=O)n3ccccc3nc21 100617617 RDYNRMHUKMIMPZ-UHFFFAOYSA-N 323.356 1.064 30 50 DDEA C=CCN1CC[C@]2(CCC1=O)CN(C1CCOCC1)CCN2C 107696286 PBGGNLNAGFATLQ-GOSISDBHSA-N 321.465 1.350 30 50 DDEA Cc1ccncc1N=C(O)N1CCN(C)[C@H](c2nccn2C)C1 328629521 OWOHSQBNDIUTDM-AWEZNQCLSA-N 314.393 1.658 30 50 DDEA CCOc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC 170004406 RYCFLLLVBNCOSP-UHFFFAOYSA-N 305.183 1.744 30 50 DDEA CCOC(=O)c1c(N=CN(C)C)c2cc([N+](=O)[O-])cnc2n1C 252626236 QYWIWLBZTHXNOY-UHFFFAOYSA-N 319.321 1.880 30 50 DDEA C=CCO[C@@H]1[C@H](OC)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H]1O 255977352 HSOXWCQWDJWNDH-ZBURPKILSA-N 322.357 1.404 30 50 DDEA CC1(C)OB(c2ccc(S(N)(=O)=O)c(Cl)c2)OC1(C)C 203707801 SGMYFWONSUHJGF-UHFFFAOYSA-N 317.603 1.287 30 50 DDEA in-vitro CCO[C@H](C)C(=O)NS(=O)(=O)c1ccc(Cl)c(C#N)c1 1875324315 RYBWJJOBVUSGIY-MRVPVSSYSA-N 316.766 1.442 30 50 DDEA CC(C)S(=O)(=O)c1ccccc1/C(O)=N/[C@@H]1CNC(=O)C1 330730539 ILJXEJZCYKSPNY-JTQLQIEISA-N 310.375 1.062 30 50 DDEA CCCn1cc(N=C(O)N[C@H]2CCO[C@@H]2c2nccn2C)cn1 328620665 HGJNUDBMMGGGBD-STQMWFEESA-N 318.381 1.692 30 50 DDEA NC(=O)c1noc([C@@H]2CCCN2C/C(O)=N/Cc2ccco2)n1 328644022 RNUDJCZAAYVJIN-JTQLQIEISA-N 319.321 1.055 30 50 DDEA CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CC(O)(CC#N)C1)CC2 373512565 BBAMVWAJOHNHGN-NSHDSACASA-N 302.378 1.125 30 50 DDEA N#C[C@]12C(N)=N[C@]3(OCCS3)[C@@]1(C#N)[C@H]2Cc1ccccc1 15023389 YIISYQKFFXJCTR-TUUVXOQKSA-N 310.382 1.667 30 50 DDEA C#CCOc1ccc(CCNC(=O)C2CCC(O)CC2)cc1 241774040 RMNHJWQNKMVNHJ-UHFFFAOYSA-N 301.386 1.908 30 50 DDEA CCn1ncnc1[C@@H](C)NC(=O)c1ccc(C#CC(C)(C)O)o1 952985434 ANUVAYUIYNUMTP-LLVKDONJSA-N 316.361 1.504 30 50 DDEA C[C@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 168980723 FKFADZGBTGFWPP-GXSJLCMTSA-N 313.810 1.712 30 50 DDEA C[C@@H](Nc1ncc(S(N)(=O)=O)s1)c1ccc(C#N)cc1 301138303 FEOYWEPXJCXWJJ-MRVPVSSYSA-N 308.388 1.835 30 50 DDEA CN[C@H](C)c1cn([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 603233493 APABCTCYOVLBLD-WBMJQRKESA-N 324.388 1.798 30 50 DDEA CCN=c1nc(N/N=C2/CCCC23CCC3)[nH]c(=NCC)[nH]1 2325750997 LMKSJOVZBAPQLD-NHDPSOOVSA-N 303.414 1.701 30 50 DDEA N#Cc1ccsc1S(=O)(=O)Nc1cccc2c1NC(=O)C2 2325866388 JFQNRVFRQSUVJM-UHFFFAOYSA-N 319.367 1.915 30 50 DDEA CCN(C[C@H](C)C#N)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 248015790 SQFQLPFKHNGPMF-JHJVBQTASA-N 305.378 1.170 30 50 DDEA COC[C@@](C)(C#N)NC(=O)c1ccc(N2CCC(C)CC2)nc1 137231901 URUMFPPHLUAYJP-QGZVFWFLSA-N 316.405 1.976 30 50 DDEA CN1CCN(/C(O)=N/CC2(C3CC3)CC2)C[C@H]1c1nccn1C 328635131 UNONONAPEJQOBR-AWEZNQCLSA-N 317.437 1.813 30 50 DDEA Cc1nnc2n1CCN(C1CN([C@H](C)c3ccc(C#N)cc3)C1)C2 328637752 OTYUWSWDYDCFTA-CYBMUJFWSA-N 322.416 1.719 30 50 DDEA C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 127510756 AEOHNCHTMYWSMN-NEPJUHHUSA-N 300.362 1.609 30 50 DDEA C[C@@]1(C#N)CCCN(C(=O)c2sccc2S(N)(=O)=O)C1 215733011 PNQBRFONIJYTRF-LBPRGKRZSA-N 313.404 1.161 30 50 DDEA N#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2CN)c(F)c1 237904271 CXAFHGLAIUHGMB-AAEUAGOBSA-N 311.382 1.493 30 50 DDEA CCO[C@@H]1C[C@@H](NC(=O)c2cc(C#N)[nH]c2C)C12CCOCC2 450681113 ACQZSUBSDRZHHT-HUUCEWRRSA-N 317.389 1.899 30 50 DDEA CC1(C)OB(c2cnc(N)c(OC(F)(F)F)c2)OC1(C)C 223361877 RSVSIJQXDVPJCF-UHFFFAOYSA-N 304.077 1.862 30 50 DDEA CCN1CCN(Cc2ccc(C#CC(C)(C)O)cc2)CCC1=O 299787030 ORFCSTJXGUEHHP-UHFFFAOYSA-N 314.429 1.863 30 50 DDEA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc(C#N)c(C)n2)C1 888077660 OAPCPMWAQHNPNA-TZMCWYRMSA-N 311.345 1.587 30 50 DDEA COCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169745811 XNDAIQVEKVZONM-UHFFFAOYSA-N 305.183 1.362 30 50 DDEA in-vitro CN(C)[C@H]1CCC[C@@H](Nc2ccc(S(N)(=O)=O)cc2C#N)C1 170652890 PSRNEVOBVFBCIE-OLZOCXBDSA-N 322.434 1.490 30 50 DDEA CN(CC#N)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 265206000 KGDNXQKHTAUQDF-JSGCOSHPSA-N 305.765 1.841 30 50 DDEA C=CCN(Cc1ccccc1C)C(=O)CCNS(C)(=O)=O 55575847 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50 DDEA C=C(C)C[C@H](C)C(=O)N(C)CCn1cnc2c(N)ncnc21 585127681 HEIDOKDADCCACZ-NSHDSACASA-N 302.382 1.469 30 50 DDEA COc1ccc(Cl)c(CN(CC#N)S(=O)(=O)N(C)C)c1 330483945 WVBMXRIIEOKILW-UHFFFAOYSA-N 317.798 1.481 30 50 DDEA C#C[C@](C)(CC)OC[C@H](O)CN1CCC(C(=O)OCC)CC1 12421462 IVQWHXMMQXBEET-NVXWUHKLSA-N 311.422 1.441 30 50 DDEA CC1(C)OB(c2ccc(NC(=O)NC3COC3)cc2)OC1(C)C 169747676 JOLXTHTVVLCDLV-UHFFFAOYSA-N 318.182 1.506 30 50 DDEA O/C(Cc1ccoc1)=N/[C@@H]1CCCN(c2nccnc2O)C1 328625138 CUBLYJRWHSAOOL-GFCCVEGCSA-N 302.334 1.943 30 50 DDEA COC[C@@]1(C(N)=O)CCCN1C(=O)c1cc(C#N)ccc1Cl 591662431 AWHHSGRGEXYWSB-OAHLLOKOSA-N 321.764 1.318 30 50 DDEA C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@@H]3[C@H]1C5 26259212 UIQMVEYFGZJHCZ-QVAFBQAKSA-N 311.381 1.754 30 50 DDEA CN1CCc2nc(N)c(C#N)c(-c3ccc(N(C)C)nc3)c2C1 72130758 HRTSIQJHAQCFRV-UHFFFAOYSA-N 308.389 1.651 30 50 DDEA C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@](C)(C(=O)O)C1 237680067 GCMHRXHWFPGSFG-MEDUHNTESA-N 302.330 1.649 30 50 DDEA 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CCCCCCCC[C@H]1C(=O)C(=O)[C@@H](C(=O)C(=O)OCC)C1=O 101019302 SUMZOGZJAVDREJ-NEPJUHHUSA-N 324.373 1.823 30 50 DDEA CN1CCN(/C(O)=N/CC[C@@H]2CCCO2)C[C@H]1c1nccn1C 328623705 JICSZVZWGIFBHR-KBPBESRZSA-N 321.425 1.192 30 50 DDEA N#Cc1ccccc1CN1CCC[C@@](O)(C(=O)N2CCCC2)C1 331732339 QNUJFXBMZQIIQF-SFHVURJKSA-N 313.401 1.508 30 50 DDEA Cc1nc[nH]c1C(=O)N1CCN(c2ccc(C#N)cc2)C(=O)C1 426472714 IWCKVDMFABVIJG-UHFFFAOYSA-N 309.329 1.079 30 50 DDEA C[C@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1(C)C 602139445 ZTWSCFCRFOIDPL-NSHDSACASA-N 318.377 1.105 30 50 DDEA C[C@@](C#N)(NC(=O)CN1CCC[C@@H](c2ncc[nH]2)C1)C1CC1 195532626 PZEINXUFNQPJJE-WBMJQRKESA-N 301.394 1.398 30 50 DDEA CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccn(C)n2)C1 585126130 PRDBVHATDSTXCR-HNNXBMFYSA-N 309.373 1.643 30 50 DDEA C#CCCC1(CCNC(=O)C(F)(F)c2ccc(=O)n(C)c2)N=N1 2325887414 PICFKTSBOBRXJO-UHFFFAOYSA-N 322.315 1.559 30 50 DDEA C#CCCC1(CCNC(=O)[C@H]2Cc3ccccc3N(C)C2=O)N=N1 2325891519 LWYROOCGEOYFMQ-CQSZACIVSA-N 324.384 1.904 30 50 DDEA C#CCCC1(CCC(=O)N=c2cncc(OC(C)C)[nH]2)N=N1 2325892925 SDQDIWGHIFRYSY-UHFFFAOYSA-N 301.350 1.980 30 50 DDEA N#Cc1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)c1=N 100627317 SYCJWAPVTDOAAJ-LBPRGKRZSA-N 321.340 1.179 30 50 DDEA CCn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)c1cc(OC)no1 328638819 WNGSEGFKCCZPFZ-CABZTGNLSA-N 306.322 1.734 30 50 DDEA Cc1cc(C)c(C#N)c(N2CCC[C@H](N3CCOCC3)C2)n1 72141810 BNORKNPFIYAOHX-HNNXBMFYSA-N 300.406 1.871 30 50 DDEA CC(C)(C)OC(=O)N[C@H](/C=N/NC(N)=S)Cc1ccccc1 43761231 SKYFJCCKXLCCFM-VAKHEIKFSA-N 322.434 1.941 30 50 DDEA COc1ccc(C=NN=C2NC(=O)[C@@H](CC(=O)O)S2)cc1 252679169 IXAFTOCVNVDRDI-SNVBAGLBSA-N 307.331 1.091 30 50 DDEA Cn1[nH]c([C@H]2CCCN(c3nc(Cl)c(C#N)s3)C2)nc1=N 1776006568 XTLWWZZWAPUOHE-ZETCQYMHSA-N 323.813 1.593 30 50 DDEA C=CCOc1cc(OC)ccc1C(=O)N1C[C@H](OC)[C@@H](OC)C1 170612261 UGIBFJDRQRAOOH-HOTGVXAUSA-N 321.373 1.746 30 50 DDEA CN(CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H](O)c1ccc(F)cc1 195530401 LYRDZFCIOAIPSI-WBVHZDCISA-N 319.380 1.599 30 50 DDEA C[C@@H](NC(=O)N1CCCNC(=O)[C@H]1C)c1cccc(C#N)c1 253421461 WCQNDDXULWSEFK-VXGBXAGGSA-N 300.362 1.539 30 50 DDEA N#Cc1cnc(SCC(=O)NCCc2ccccc2)nc1N 7461815 MTIDGTPPDHYXHH-UHFFFAOYSA-N 313.386 1.381 30 50 DDEA Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)N)C1 227925989 JIJYINILJGHBED-TZMCWYRMSA-N 307.419 1.615 30 50 DDEA CCN(CC(=O)O)C1CC(/N=C(/O)c2ccccc2OC)C1 328636844 OHAOVYQDOSOINR-UHFFFAOYSA-N 306.362 1.937 30 50 DDEA O=S1(=O)CCCN(/C(O)=N/[C@@H]2CCc3c(O)cccc32)CC1 329010194 OJGIECLBOYSMTD-CYBMUJFWSA-N 324.402 1.414 30 50 DDEA N#CC1(c2ccccn2)CCN(C(=O)[C@]2(O)CCSC2)CC1 374308794 FWQCFBYNVANGRG-INIZCTEOSA-N 317.414 1.333 30 50 DDEA O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccccc1O)[C@H]1C=C[C@H]2C12CC2 245294741 AARNCCBGUCFTLL-PIQZMFROSA-N 308.337 1.923 30 50 DDEA CNC(=O)[C@H](CNc1ccc(C#N)c(C)n1)C1CCOCC1 952889398 BNTUHOKLONSPAZ-CQSZACIVSA-N 302.378 1.462 30 50 DDEA COc1ccc(-n2cnnc2)cc1NC(=O)c1cc(C#N)c[nH]1 952860869 VBVWKFZTBDMHQP-UHFFFAOYSA-N 308.301 1.728 30 50 DDEA C=C(Br)CNC(=O)c1conc1C1(C)COC1 1775998120 SHJWMKOLBLADOI-UHFFFAOYSA-N 301.140 1.601 30 50 DDEA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCCc1cccc(C#N)c1 408473664 GYBPXLMDLGMTLD-HZPDHXFCSA-N 324.384 1.728 30 50 DDEA CCCCS(=O)(=O)N1CC[C@@H](n2ccc(N=C(C)O)n2)C1 328609494 DMNAQLRPCQDOOS-GFCCVEGCSA-N 314.411 1.868 30 50 DDEA C#Cc1cccnc1NC[C@@H]1CCCN1c1cc(NC)ncn1 853275194 MOMDJSLPGHQJLR-AWEZNQCLSA-N 308.389 1.976 30 50 DDEA C#C[C@H](NC(=O)N(C)CCc1ccc2c(c1)OCO2)[C@@H](C)OC 2325794562 HWUJTEYWYWFMSP-OCCSQVGLSA-N 318.373 1.636 30 50 DDEA C#CCCC1(CCNC(=O)c2[nH]nc3c2COC3(C)C)N=N1 2325887320 GGUUJTBNCVGJTQ-UHFFFAOYSA-N 301.350 1.870 30 50 DDEA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2ccnc(C#N)c2)c1 282337921 DMLGIJFNLKRYBC-NVXWUHKLSA-N 323.352 1.910 30 50 DDEA C#CCN(Cc1ccco1)C(=O)c1cnc2ccccn2c1=O 20860163 LMGHOVVLGQYMIL-UHFFFAOYSA-N 307.309 1.563 30 50 DDEA C#C[C@H](NC(=O)CCc1cnn(-c2ccccc2)c1)[C@@H]1CCOC1 170600944 GEWWFUDNVOVBAE-AEFFLSMTSA-N 323.396 1.959 30 50 DDEA N#Cc1ccc(N2CC[C@](O)(Cn3ccnn3)C2)cc1Cl 585789106 VXSRWUNAWHPDKN-CQSZACIVSA-N 303.753 1.445 30 50 DDEA Cn1cccc1/C=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 372822 BRLLPBKFTKAJCW-UKTHLTGXSA-N 308.319 1.246 30 50 DDEA C=CCCCS(=O)(=O)NC1CCN(c2ncccn2)CC1 813650288 DCGFEEYVOPTRQM-UHFFFAOYSA-N 310.423 1.331 30 50 DDEA C#CCCC1(CCC(=O)N[C@H](COC)c2ccnn2C)N=N1 2325893835 CIWLOOCFTXSUEM-GFCCVEGCSA-N 303.366 1.580 30 50 DDEA C#CCCC1(CCNC(=O)CCc2c(C)nc(O)nc2O)N=N1 2325900150 MNTPWNBIBGYOMU-UHFFFAOYSA-N 317.349 1.211 30 50 DDEA CC(O)=Nc1ccn([C@H]2CCN(Cc3nnnn3C(C)C)C2)n1 328629860 PFTGXWFMOVUAGU-LBPRGKRZSA-N 318.385 1.505 30 50 DDEA CN1C(=O)CCc2cc(CN3CCN(C4CC4)[C@@H](C#N)C3)ccc21 364323121 IDEVYCPZIYVCTG-KRWDZBQOSA-N 324.428 1.768 30 50 DDEA CO[C@H]1C[C@@H](CN(C)C(=O)c2ccccc2OCC#N)N(C)C1 285133608 OEJVMOXJFMQDKO-KBPBESRZSA-N 317.389 1.380 30 50 DDEA C=CCN1C[C@@H]2CN(C(=O)NC3CCCCC3)C[C@]2(C(=O)O)C1 91620267 REBWNWFNXVEHGT-CXAGYDPISA-N 321.421 1.533 30 50 DDEA CCn1cc(CN(C)Cc2nc(CCOC)no2)cc1C#N 824462478 UMTUGRIHROHIMT-UHFFFAOYSA-N 303.366 1.584 30 50 DDEA C=CCCCc1cn(C[C@H](C)NC(=O)c2cc(C)nn2C)nn1 1875323382 GLJLGTUSFYUOMV-ZDUSSCGKSA-N 316.409 1.647 30 50 DDEA CN1CCC[C@]2(CO)CCN(C(=O)c3ccccc3C#N)C[C@@H]12 1704302818 DASLZSGZSOYYAE-SJLPKXTDSA-N 313.401 1.477 30 50 DDEA C[C@H](C(=O)N1CCCN(c2cccc(C#N)n2)CC1)n1cccn1 1772814869 RYHDMXPUHYIQOP-CQSZACIVSA-N 324.388 1.450 30 50 DDEA C=CCC(O)(CC=C)[C@H](C)Nc1nc2nonc2nc1N(C)C 12074767 LVKARYPRBWWWJB-JTQLQIEISA-N 318.381 1.763 30 50 DDEA Cc1nc2cccc(B3OC(C)(C)C(C)(C)O3)c2c(=O)n1C 1857780578 SWCICBLQWXNZQV-UHFFFAOYSA-N 300.167 1.541 30 50 DDEA C=CCn1cc(NC(=O)[C@@H]2CC[C@H](C3CCNCC3)O2)cn1 2325774998 QAOLUHUXQLUSFA-CABCVRRESA-N 304.394 1.555 30 50 DDEA C#CCCC1(CCNC(=O)c2ccnn2CCN(C)C)N=N1 2325891560 OCYQFRLQBSMYAU-UHFFFAOYSA-N 302.382 1.140 30 50 DDEA C=CCc1cc(CN[C@H](C(N)=O)[C@@H](C)O)ccc1OC(C)C 65406259 BJITVRUGRDIEBR-WBMJQRKESA-N 306.406 1.527 30 50 DDEA Cc1nccn1C[C@H]1CCCN1CC(=O)NC1(C#N)CCC1 364148464 OWUZQFYYBVUEIC-CQSZACIVSA-N 301.394 1.218 30 50 DDEA Cc1cc(C)c(N/C(O)=N/CC(=O)N2CCOCC2)c(C)n1 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1.100 30 50 DDEA C#CCCC1(CCNC(=O)Cc2nc(C3CC3)nn2C)N=N1 2325891414 FEXGNWSUQALGAV-UHFFFAOYSA-N 300.366 1.317 30 50 DDEA C#CCCC1(CCNC(=O)CCCn2nc(C)nc2C)N=N1 2325891712 WZXGRLFYXBLITA-UHFFFAOYSA-N 302.382 1.757 30 50 DDEA C#CCCC1(CCC(=O)NC[C@@](C)(N)Cn2cccn2)N=N1 2325900685 FUVOGVLSZJNPNV-CQSZACIVSA-N 302.382 1.072 30 50 DDEA C=CCNC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 2959325 UWOAPNVOJNOGCC-UHFFFAOYSA-N 310.419 1.878 30 50 DDEA CN1CCN(Cc2cnc3ccc(C#N)cn23)C[C@H]1c1ncc[nH]1 373498265 YBXMZOFNLGBYAE-HNNXBMFYSA-N 321.388 1.418 30 50 DDEA C[C@H]1C[C@H](C(=O)O)CN(C(=O)NCc2ccc(C#N)c(F)c2)C1 263373702 WDVWFVFUKKCCDK-GWCFXTLKSA-N 319.336 1.950 30 50 DDEA N#Cc1ccc(N2CCC(c3nccn3CC(N)=O)CC2)nc1 95528111 PXCMZENECGYUQG-UHFFFAOYSA-N 310.361 1.019 30 50 DDEA CN(CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H](O)c1ccc(F)cc1 110599325 LYRDZFCIOAIPSI-NVXWUHKLSA-N 319.380 1.599 30 50 DDEA Cc1ncc(CN(CCO)Cc2cc(C#CCO)cs2)[nH]1 1704335292 MRBCLOMJWVUUMA-UHFFFAOYSA-N 305.403 1.118 30 50 DDEA CC1(C)OB(c2ccc(OCCN3CCCC3)nc2)OC1(C)C 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N#Cc1cnc(N[C@H]2CCN(C(=O)Cc3ccccc3)C2)cn1 367434688 JWAPMMMKSKVFNI-AWEZNQCLSA-N 307.357 1.604 30 50 DDEA C=CC(C)(C)NC(=O)Nc1cccn(CC(=O)N(C)C)c1=O 1875271381 IVMABRCVHFTIJF-UHFFFAOYSA-N 306.366 1.023 30 50 DDEA C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1C[C@@H](O)C1 1875324440 YWVLBULUEOWPNT-OKILXGFUSA-N 313.361 1.152 30 50 DDEA C#CCCC1(CCC(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)N=N1 952881172 LGWFHDAGYLHBGA-HUUCEWRRSA-N 318.421 1.664 30 50 DDEA Cc1ccc(S(=O)(=O)/N=C(\O)NCc2cccnc2)cc1 499479 QMROGBLGCHCUBA-UHFFFAOYSA-N 305.359 1.783 30 50 DDEA C=CCOc1ccccc1C(=O)NCCCc1ncn(C)n1 585089666 VPLQJAPPFQWWHT-UHFFFAOYSA-N 300.362 1.743 30 50 DDEA CN(C)C(=O)C[C@]1(O)CCCN(Cc2ccc(F)c(C#N)c2)C1 591644191 BWENANZKWRCJOP-QGZVFWFLSA-N 319.380 1.503 30 50 DDEA Cc1cc(N2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)c(C#N)cn1 425265671 FJZOXQISFFENIC-ZDUSSCGKSA-N 324.388 1.346 30 50 DDEA CC(O)=Nc1ccn([C@H]2CCN(C(=O)[C@@H]3CCCCO3)C2)n1 328614430 WAYFKQZOHCMXBX-STQMWFEESA-N 306.366 1.834 30 50 DDEA N#Cc1ccc(-n2nc([C@@H]3CCOC3)nc2Cn2ccnn2)cc1 97797390 HBVMGPGGGDQILX-CYBMUJFWSA-N 321.344 1.283 30 50 DDEA CN(C)c1nc(O)cc([C@H]2CCN(c3ccncc3C#N)C2)n1 864311678 AYYQYQCHWROVNE-NSHDSACASA-N 310.361 1.509 30 50 DDEA Cn1ccnc1[C@H]1CCCN1S(=O)(=O)c1cccc(C#N)c1 952995102 CTWOBKYYDBIZDF-CQSZACIVSA-N 316.386 1.818 30 50 DDEA C=C1CCN(C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CC2)CC1 1875274977 JHPUSOGCOBXVMB-ZDUSSCGKSA-N 316.467 1.250 30 50 DDEA CC(=O)N[C@@H](C(=O)Nc1cc(C)n(CCC#N)n1)C1CCCC1 271179775 ZQZMUZNMGLYQIE-OAHLLOKOSA-N 317.393 1.739 30 50 DDEA C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1CO 189171176 WMXBYGOFKRDHQV-KOLCDFICSA-N 314.794 1.461 30 50 DDEA N#C[C@H]1COCCN1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 192683108 FDBFUWGEARMUGH-SMDDNHRTSA-N 323.755 1.809 30 50 DDEA COCCOc1ccccc1CN1CCN(C2CC2)[C@H](C#N)C1 371326359 IKLRCSGQTQPBTD-QGZVFWFLSA-N 315.417 1.884 30 50 DDEA N#Cc1ccc(N2CCN(C[C@H](O)c3ccccc3)CC2)cn1 267368035 JHHZNGIBCYUWON-SFHVURJKSA-N 308.385 1.809 30 50 DDEA O=C1C(=CNCCCN2CCOCC2)C(=O)c2ccccc21 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YQYQSMJDFKQLHV-QMTHXVAHSA-N 318.354 1.994 30 50 DDEA NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCO 218504853 HZFRGWAPTSQPPC-UHFFFAOYSA-N 301.371 1.314 30 50 DDEA N#Cc1ccc(C(=O)NCC[C@H]2COc3ccccc3O2)cn1 221210677 GTWQNIYWJPGKRS-AWEZNQCLSA-N 309.325 1.913 30 50 DDEA C=CCn1c(C)cc(C(=O)CN2CCNC(=O)[C@@H]2C(C)C)c1C 170652543 NSAXPOLODPHPOJ-KRWDZBQOSA-N 317.433 1.930 30 50 DDEA CN(CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)C(N)=O 170619946 PZTWROOMXVBKQD-VIFPVBQESA-N 315.160 1.685 30 50 DDEA Cn1cc(CN2CCC[C@](O)(CN3CCCC3)C2)cc1C#N 77301265 OTIRRMRIHIIHNA-KRWDZBQOSA-N 302.422 1.319 30 50 DDEA CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CC(O)(CC#N)C1)CC2 373512562 BBAMVWAJOHNHGN-LLVKDONJSA-N 302.378 1.125 30 50 DDEA Nc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1 45253724 ORHZJUSHZUCMKR-UHFFFAOYSA-N 316.090 1.801 30 50 DDEA in-vitro CC[C@@H](C)[C@@H](C(=O)O)N(C)S(=O)(=O)c1cccc(CC#N)c1 619471320 FCSXTIZFLJWRLW-RISCZKNCSA-N 324.402 1.872 30 50 DDEA Cc1noc([C@H]2CN(c3c(C#N)cccc3C#N)CCN2C)n1 583616803 HBPQYEHFBGUKHE-CQSZACIVSA-N 308.345 1.614 30 50 DDEA O/C(Cc1ccoc1)=N/[C@H]1CCCN(c2nccnc2O)C1 328625139 CUBLYJRWHSAOOL-LBPRGKRZSA-N 302.334 1.943 30 50 DDEA N#CC1(CC(=O)Nc2ccc(-n3cncn3)cn2)CCOCC1 1649910179 SUJULTYHGXVFCK-UHFFFAOYSA-N 312.333 1.311 30 50 DDEA COc1ccc(/C=N/Nc2cc(N3CCOCC3)ncn2)cc1 4947104 KGEPWNNHVHUFFN-YBFXNURJSA-N 313.361 1.768 30 50 DDEA O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1ccc(O)cc1O)[C@H]1C=C[C@H]2C12CC2 105209454 AOSRHVBECSSYLY-OYKAHMLUSA-N 324.336 1.629 30 50 DDEA Cc1cccc(F)c1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 364395531 UPYLMABACVZYGP-CYBMUJFWSA-N 323.393 1.495 30 50 DDEA CN(CC1CC1)C[C@H]1CN(C(=O)c2sccc2C#N)CCO1 328647537 UAJKELOXPLVCPE-AWEZNQCLSA-N 319.430 1.803 30 50 DDEA C[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H]1n1ccnc1 156540322 GPWRLWUBMIJRNT-KMFMINBZSA-N 315.421 1.574 30 50 DDEA CN1CC[C@H]2OCCN(C(=O)c3ccccc3OCC#N)[C@@H]2C1 285291358 OTWSUIAZENGPHN-GDBMZVCRSA-N 315.373 1.134 30 50 DDEA CN1CCN(CCC/N=C(\N)N(C)C)[C@H](c2ccccc2)C1 170913740 KCVDBEAKWOHXDS-INIZCTEOSA-N 303.454 1.242 30 50 DDEA N#CCC1(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)CC1 596235735 GVLQFXGYKOJUPJ-QGZVFWFLSA-N 311.341 1.910 30 50 DDEA Cc1ccc(N=C(O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)nc1 328633317 SLLCKXVYKJOJGZ-GFCCVEGCSA-N 300.366 1.647 30 50 DDEA C=C[C@](C)(CC)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 135106897 RQPNKSIGHJNLCK-OAHLLOKOSA-N 314.451 1.662 30 50 DDEA C[C@H]1CCC[C@](C#N)(NC(=O)CNC(=O)c2ccc(C#N)cc2)C1 164240213 ALKZSXNRYZJPGS-UGSOOPFHSA-N 324.384 1.877 30 50 DDEA Cc1ccc(S(=O)(=O)/N=C(\O)NN2C[C@@H]3CCC[C@H]3C2)cc1 523926 BOVGTQGAOIONJV-STQMWFEESA-N 323.418 1.834 30 50 DDEA biogenic,world OCC#Cc1csc(CN2CCN(c3cccnc3)CC2)c1 215180532 MZSPONWNISDJRC-UHFFFAOYSA-N 313.426 1.809 30 50 DDEA CCN1CCN(/C(O)=N/Cc2ccoc2)C[C@@H]1c1nccn1C 328624037 JPQIHYMJDIRRAQ-CQSZACIVSA-N 317.393 1.806 30 50 DDEA CN1CCN(/C(O)=N/CC2(C3CC3)CC2)C[C@@H]1c1nccn1C 328635132 UNONONAPEJQOBR-CQSZACIVSA-N 317.437 1.813 30 50 DDEA CC(C)N1CCC[C@H](C/N=C(/O)[C@@H]2CCc3nn[nH]c3C2)C1 328796531 UWUXJCBXZDMRHI-CHWSQXEVSA-N 305.426 1.987 30 50 DDEA Cn1cc(N2CC[C@H](NCc3cnc4ccc(C#N)cn34)C2)cn1 367697510 KDECVXFMUDLDHA-AWEZNQCLSA-N 321.388 1.308 30 50 DDEA CCOc1c(CN[C@@H]2CCCN(O)C2=O)c(C)nn1CC(C)C 895164792 GZBQDDNAXLWALE-CQSZACIVSA-N 324.425 1.716 30 50 DDEA Cc1nnc([C@H]2C[C@@H](O)CN2Cc2cn3ccccc3c2C#N)o1 1775957952 UOXALZGYHABWMC-CZUORRHYSA-N 323.356 1.810 30 50 DDEA N#Cc1ccc(OC[C@H](O)CN2CCOCC23CCC3)cc1 135527956 GPVAQEUGRZGLJY-OAHLLOKOSA-N 302.374 1.553 30 50 DDEA CN(C)[C@@H]1CN(Cc2cccc(C#N)c2F)C[C@@H]1n1ccnn1 859756962 WXQJMCPQBJUHOA-CABCVRRESA-N 314.368 1.276 30 50 DDEA N#Cc1ccc(N[C@H](CO)CN2CCCCC2)c([N+](=O)[O-])c1 239672633 BUILASHAAKAFCU-ZDUSSCGKSA-N 304.350 1.725 30 50 DDEA N#Cc1ccccc1OCC(=O)N1CCC[C@H]1Cn1ccnn1 299746692 ZEGOEYPQYUVDCB-AWEZNQCLSA-N 311.345 1.220 30 50 DDEA COc1ccc(C=NN=C2NC(=O)[C@H](CC(=O)O)S2)cc1 252679168 IXAFTOCVNVDRDI-JTQLQIEISA-N 307.331 1.091 30 50 DDEA C#CCCC1(CCC(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)N=N1 952882931 ZHGBCVAKYIHZRU-STQMWFEESA-N 302.378 1.612 30 50 DDEA C[C@@H]1C[C@@H](N2CCOCC2)CN1c1cc(C#N)cc(Cl)n1 888096088 SICVYOYKOCNPEZ-DGCLKSJQSA-N 306.797 1.906 30 50 DDEA C[C@H](NC(N)=O)C(=O)NCc1ccc(C#C[Si](C)(C)C)cc1 1615606007 RIMBLDDLXOEHIU-LBPRGKRZSA-N 317.465 1.589 30 50 DDEA COCc1c(Br)c(C)nc(OCC(=O)O)c1C#N 361659 ZBCVUKKYCFGHFC-UHFFFAOYSA-N 315.123 1.634 30 50 DDEA CN(C)S(=O)(=O)c1cnn(CCOc2cccc(C#N)c2)c1 348115433 MAPDWHSOSKVRGT-UHFFFAOYSA-N 320.374 1.084 30 50 DDEA CC(=O)C1=C(O)C(=O)N(CCCC(=O)O)[C@H]1c1ccccc1F 20065469 AZPIWEOWYVXJLM-AWEZNQCLSA-N 321.304 1.975 30 50 DDEA N#Cc1cc(CN2CCC[C@@](O)(Cn3ccnn3)C2)ccc1F 284452142 BPGKOHWBJZTDRE-INIZCTEOSA-N 315.352 1.316 30 50 DDEA C=CCN1C[C@H](C(=O)N2CCOc3ccccc3C2)CC1=O 820474776 CISHBDUAINTSAO-CQSZACIVSA-N 300.358 1.442 30 50 DDEA Cc1cc(N2CC[C@](O)(CO)C2)n2c(nc3ccccc32)c1C#N 1875272151 OAVRKRZFDGMTSL-GOSISDBHSA-N 322.368 1.601 30 50 DDEA CCn1cc(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 192241648 GQIBNPPSXBMKLX-QGZVFWFLSA-N 323.400 1.665 30 50 DDEA N#Cc1ccc([C@H](C(N)=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 225430957 BKUBXNGSBRBEFP-NUJGCVRESA-N 313.401 1.712 30 50 DDEA N#Cc1ccc(CN2CCC[C@H](N3CCNC3=O)C2)cc1F 365263151 UQCZMXSLDCAUNP-AWEZNQCLSA-N 302.353 1.687 30 50 DDEA CO[C@]1(c2nnc(COc3cccc(F)c3C#N)o2)CCOC1 591600393 VLRPSMOBBUMGCV-OAHLLOKOSA-N 319.292 1.921 30 50 DDEA C#CCCC1(CCC(=O)NCc2nc([C@H]3CCCO3)n[nH]2)N=N1 2325886319 KMTKGTLYFMJIRE-LLVKDONJSA-N 316.365 1.628 30 50 DDEA N#Cc1cc2c(nc1N1CCC(N3CC(O)C3)CC1)CCCC2 2356138116 FFOPOMGGWLHNEK-UHFFFAOYSA-N 312.417 1.477 30 50 DDEA C=CCNC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8682724 IDWNGYCBOHLITE-UHFFFAOYSA-N 306.391 1.777 30 50 DDEA CCOCC/N=C(/O)CN1C[C@H](OC)C[C@@H]1c1nc(C)no1 328618705 DYJMBHWPMVAVEP-VXGBXAGGSA-N 312.370 1.133 30 50 DDEA CC(C)(C)[C@@H]1N=C(O)CC[C@H]1/N=C(/O)N1CC(=O)N(C2CC2)C1 329386946 SPWNEQQGODJZLM-BXUZGUMPSA-N 322.409 1.698 30 50 DDEA N#Cc1ccc(N2CCCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])c1 152812322 DNJNBYOCDSNOLS-UHFFFAOYSA-N 314.345 1.915 30 50 DDEA CN1CC[C@H]2OCCN(C(=O)c3c(F)cc(C#N)cc3F)[C@@H]2C1 285069507 CLFWFZFLJAIKNG-ZIAGYGMSSA-N 321.327 1.382 30 50 DDEA CCOc1ccc([C@@H]2[C@@]3(C#N)C(N)=NC4(OCCO4)[C@@]23C#N)cc1 15321079 PDTFYYAMXBIZON-KBMXLJTQSA-N 324.340 1.274 30 50 DDEA Cc1nc(N2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)c(Cl)cc1C#N 292502868 FYDHYVMHIXVFGW-SECBINFHSA-N 318.768 1.711 30 50 DDEA COc1cc(C#N)ccc1OCC(=O)N(CC(=O)O)C1CC1 299746502 XUNZZSQDKXJSMZ-UHFFFAOYSA-N 304.302 1.021 30 50 DDEA C#CCOCCOCCOCCOCCOCCN=[N+]=[N-] 606235259 MUVOUQDZNKRSQW-UHFFFAOYSA-N 301.343 1.013 30 50 DDEA C[C@H](O)c1cn([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 881338554 HURCOTOQEHFJFV-NHYWBVRUSA-N 311.345 1.571 30 50 DDEA C=CC[C@H]1N(C(=O)Cn2ccc(O)nc2=O)CCCC1(C)C 278284028 AQJKGJFHXCCNIJ-GFCCVEGCSA-N 305.378 1.542 30 50 DDEA N#Cc1cc(S(=O)(=O)NC[C@H]2CCCC2=O)ccc1Cl 170603681 FBPXHQKHKLDGTJ-SECBINFHSA-N 312.778 1.859 30 50 DDEA CC[C@H]1CC[C@@H](C(=O)O)N1S(=O)(=O)c1ccccc1C#N 592447424 GYZMFFQCXWMWAF-RYUDHWBXSA-N 308.359 1.575 30 50 DDEA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc(C#N)cc1F)C2 2100547348 GYTJGWQOAJFUOI-STQMWFEESA-N 303.337 1.100 30 50 DDEA CCCCCCCC[C@@H]1C(=O)C(=O)[C@@H](C(=O)C(=O)OCC)C1=O 101019306 SUMZOGZJAVDREJ-RYUDHWBXSA-N 324.373 1.823 30 50 DDEA CC[C@H](CO)N/C=C1\C(=O)CC[C@H](C(=O)c2ccccc2)C1=O 100649992 UMQNSZXPLHKZRR-BNQVXVOMSA-N 315.369 1.662 30 50 DDEA C#CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101862923 OYFYNEJLBWQGIQ-WMHQRMGPSA-N 321.332 1.788 30 50 DDEA CN1C(=O)C[C@@H](CNCC(C)(C)CCC#N)[C@@H]1c1cnn(C)c1 328640939 XQRGOWGCLQEHIS-XJKSGUPXSA-N 317.437 1.859 30 50 DDEA N#Cc1ccc(N[C@@H](CO)CN2CCCCC2)c([N+](=O)[O-])c1 239672632 BUILASHAAKAFCU-CYBMUJFWSA-N 304.350 1.725 30 50 DDEA N#C[C@H](NC(=O)[C@H]1C[C@H]1[N+](=O)[O-])c1cnn(-c2ccccc2)c1 241588455 PDHYHHAPJVFKMF-MELADBBJSA-N 311.301 1.218 30 50 DDEA C=CCc1cc(CN2CC[C@@]3(O)CCNC[C@H]3C2)ccc1OC 91943973 YCKNASUWUFWRFD-HKUYNNGSSA-N 316.445 1.970 30 50 DDEA CC(C)OCCN1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 181325646 ALAJIECILDWBCT-UHFFFAOYSA-N 304.394 1.506 30 50 DDEA C#CCN([C@@H]1CCOC1)S(=O)(=O)/C=C/c1ccc(F)cc1 1875370435 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30 50 DDEA C=CCn1c(C)cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc12 4251015 QQPMDRCTHTYPGB-UHFFFAOYSA-N 315.377 1.300 30 50 DDEA CCOC(=O)C1=C(C)N/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 4813217 LFMJKBRLLNMNAY-XYOKQWHBSA-N 302.286 1.945 30 50 DDEA C=CCN(Cc1ccccc1OC)C(=O)[C@H]1CCCN1C(N)=O 55343546 LWHYVBPUJVNLEC-CQSZACIVSA-N 317.389 1.753 30 50 DDEA CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)c2ccc(C#N)nc2)C1 370920723 SDTMZMSDEAIHII-MRXNPFEDSA-N 320.352 1.661 30 50 DDEA CC(C)N1CCO[C@@H](CC(=O)NCc2ccc(C#N)cc2)C1 97823570 QMWOLXAAVIOFDL-INIZCTEOSA-N 301.390 1.674 30 50 DDEA O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)[C@H]1CO1 1875372551 IAQXZUNOEZPWIB-LLVKDONJSA-N 315.295 1.584 30 50 DDEA C=CCn1nnnc1SCCn1cnc2ccccc2c1=O 172160261 OLMFGQZKQXASDW-UHFFFAOYSA-N 314.374 1.361 30 50 DDEA C[C@]1(C#N)CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)C1 595372570 UYLREAZDFSRDHZ-OAHLLOKOSA-N 306.387 1.936 30 50 DDEA COC(=O)c1ccc(C(=O)OC)c(B2OC(C)(C)C(C)(C)O2)c1 204407230 ZDIIHFUQYYAUAD-UHFFFAOYSA-N 320.150 1.559 30 50 DDEA C[C@H]1CN([C@@H]2CCCN(CC(C)(C)C)C2=O)C[C@@H](C)N1CC#N 585116531 ZYHHUPXGUXZRET-OWCLPIDISA-N 320.481 1.942 30 50 DDEA N#Cc1ccc([C@H](C(N)=O)N2C[C@H](O)CC3(CCCC3)C2)cc1 2325772038 OQGZIBGWOJJRQI-HZPDHXFCSA-N 313.401 1.712 30 50 DDEA C#CCCC1(CCNC(=O)C(F)(F)CCn2cccn2)N=N1 2325891613 QMPNHQILDGQFIR-UHFFFAOYSA-N 309.320 1.990 30 50 DDEA CCN1CCN(Cc2ccc(C#CC(C)(C)O)cc2)[C@@H](C)C1=O 65387364 OAVFYEAYTODPDZ-HNNXBMFYSA-N 314.429 1.862 30 50 DDEA C[C@H](C[S@](C)=O)/N=C(/O)N1CCOC[C@H]1c1ccccc1 330806744 JDEIANKJGWQRFH-YLGBZRSBSA-N 310.419 1.741 30 50 DDEA CCN(CC)C(=O)CN1CCCN(c2cccc(C#N)n2)CC1 253405746 QBARCUBIIFPOOT-UHFFFAOYSA-N 315.421 1.334 30 50 DDEA COCCCN1C(=O)CC[C@H]2CN(C(=O)C3(C#N)CC3)CC[C@H]21 72418423 WMPAFNFHLYSNLW-UONOGXRCSA-N 319.405 1.166 30 50 DDEA C[C@]1(C#N)CCCN(C(=O)c2cc(F)ccc2OCCN)C1 426635479 NQZMGHMDQQEKHH-MRXNPFEDSA-N 305.353 1.929 30 50 DDEA C=CCN1C[C@H](C(=O)N(CCO)Cc2ccccc2)CC1=O 828754201 QSSHQECGDHBHGG-OAHLLOKOSA-N 302.374 1.042 30 50 DDEA C#CCCC1(CCC(=O)N2CCOC[C@@H]2c2ncnn2C)N=N1 952879709 ADHOQFYNXJGDJM-GFCCVEGCSA-N 316.365 1.071 30 50 DDEA COC[C@]1(C(=O)O)CCCN1Cc1ccc(C#N)c(OC)c1 886071775 HNFDSIPUHSKVJT-INIZCTEOSA-N 304.346 1.632 30 50 DDEA C=CCNC(=O)c1sc2ncnc(NCCN(C)C)c2c1C 14992472 LQVHNWWOXCKORR-UHFFFAOYSA-N 319.434 1.889 30 50 DDEA Cc1noc(C2CN(C(=O)[C@@H](C)Oc3ccccc3C#N)C2)n1 225499184 WWFWNDQPFVNGLA-SNVBAGLBSA-N 312.329 1.643 30 50 DDEA C#CCCC1(CCC(=O)NCc2cc3c(cn2)OCCO3)N=N1 2325899987 HDIBBLYYUCNDIZ-UHFFFAOYSA-N 314.345 1.825 30 50 DDEA CCCN(CC#Cc1ccccc1)C(=O)C[C@H]1CNCCO1 55369093 QICVJOUAEUWHDN-KRWDZBQOSA-N 300.402 1.655 30 50 DDEA Cc1noc([C@@H]2CN(c3ccc(C#N)cc3F)CCN2C)n1 284616809 SFMOFBSEFYANJE-AWEZNQCLSA-N 301.325 1.882 30 50 DDEA CC(C)(O)C#Cc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1 217034311 BBHDVMZWINQNHG-KRWDZBQOSA-N 312.413 1.729 30 50 DDEA N#Cc1cnc(C2CC2)nc1N1C[C@@H](O)[C@H](Oc2ccccc2)C1 1875313301 JWDGHEGPQCPNIR-HZPDHXFCSA-N 322.368 1.854 30 50 DDEA N#Cc1ccc(CCC(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)cc1 597839161 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1.775 30 50 DDEA C#CCCC1(CCC(=O)N2CCN(c3cnn(C)c3)CC2)N=N1 952879812 BFENUTPDSXKCSN-UHFFFAOYSA-N 314.393 1.424 30 50 DDEA N#CC1(NC(=O)CNc2cnn(CC(F)F)c2)CCCCC1 585137351 UGOGCJMCTKBUDF-UHFFFAOYSA-N 311.336 1.903 30 50 DDEA C=C(C)C(C)(C)C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 425304349 GRFRMYDYWZADFJ-CQSZACIVSA-N 307.438 1.400 30 50 DDEA Cc1cc(S(=O)(=O)N[C@H]2CC23CCNCC3)ccc1C#N 368632013 JNXZVTPMSOYFKF-AWEZNQCLSA-N 305.403 1.287 30 50 DDEA COC(=O)c1c(NC(=O)CC#N)sc(C(=O)N(C)C)c1C 6254127 UBAQWQYIGCRMGF-UHFFFAOYSA-N 309.347 1.397 30 50 DDEA N#CCN1C(=O)C(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 4060288 WTPPJIFSLBHRJD-UHFFFAOYSA-N 311.219 1.520 30 50 DDEA Cc1nnc2n1CCN(C1CN(c3cccc(F)c3C#N)C1)C2 328656679 ZOEBEIDUDOPSEJ-UHFFFAOYSA-N 312.352 1.302 30 50 DDEA Cc1noc(C)c1CC/N=C(/O)[C@H]1CCCCS1(=O)=O 329638560 YUXUEYZNQQVULY-GFCCVEGCSA-N 300.380 1.758 30 50 DDEA N#C[C@@H]1CN(C(=O)C2=CCOCC2)CCN1Cc1ccccc1 184409019 JWHFINBXVJUICF-QGZVFWFLSA-N 311.385 1.570 30 50 DDEA C=CCc1cc(CN2C[C@H](N)[C@@H](O)C2)cc(OCC)c1OC 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DDEA CCOC(=O)/C(C(=O)c1ccccc1)=C(/N)NCc1ccco1 100124812 ATAHTUMCGUVVJO-PEZBUJJGSA-N 314.341 1.986 30 50 DDEA C=CCN1C(=S)N(c2cccc(C)c2)[C@H]2CS(=O)(=O)C[C@@H]21 4116908 IPVQXIBRDKMCSV-KBPBESRZSA-N 322.455 1.754 30 50 DDEA CC1(C)OB(c2cc(C(=O)O)cc([N+](=O)[O-])c2F)OC1(C)C 170003458 SJAJGXSZZZHGPQ-UHFFFAOYSA-N 311.074 1.731 30 50 DDEA C[C@H](Cn1ccnc1)NC1CCN(c2ncccc2C#N)CC1 67713183 UOJDGQKEPSMMOI-CQSZACIVSA-N 310.405 1.797 30 50 DDEA Cc1nc(C)c(CC(=O)N2CCn3nc(C#N)cc3C2)s1 670441136 DTKHHUOWAAXZGD-UHFFFAOYSA-N 301.375 1.413 30 50 DDEA CN1CCC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccc(C#N)cc1 1875315705 DVIJXFUHQMRDQR-CQSZACIVSA-N 309.373 1.772 30 50 DDEA C=C(Cl)CS(=O)(=O)N[C@H](C)[C@H](O)Cc1ccccc1 170608430 QUHYNWQCOGRJNY-DGCLKSJQSA-N 303.811 1.650 30 50 DDEA C(=N/N1CCN(c2ccccn2)CC1)\c1ccc2c(c1)OCO2 18121858 CKFGEXYSARCYAU-XDHOZWIPSA-N 310.357 1.966 30 50 DDEA CCN1CCN(C2CCN(c3cnc(C#N)cn3)CC2)C1=O 372478176 OQFASCQOHGHRKI-UHFFFAOYSA-N 300.366 1.075 30 50 DDEA C#CCCC1(CCC(=O)N[C@H](CC(C)C)c2nn[nH]n2)N=N1 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324.384 1.180 30 50 DDEA C#CCN1CCC[C@@H](Nc2cc(C(F)(F)F)nc3ncnn23)C1 884613800 WENOSVGCRFASAM-SNVBAGLBSA-N 324.310 1.653 30 50 DDEA CCOC(=O)[C@@H](C)C(C#N)(C(=O)OCC)[C@H](C)C(=O)OCC 2167637 MAWRNFNRKPOONT-GHMZBOCLSA-N 313.350 1.458 30 50 DDEA C[C@@H](C(=O)O/N=C(\N)c1cccnc1)c1ccc([N+](=O)[O-])cc1 8553244 MZARBBXWEPWNRA-SNVBAGLBSA-N 314.301 1.957 30 50 DDEA CCn1ccnc(N2CCC(/N=C(/O)c3ccoc3)CC2)c1=O 328611011 JYLSDBHOCSGDGH-UHFFFAOYSA-N 316.361 1.830 30 50 DDEA Cc1ccccc1CC(=O)N1CCN(C(=O)C(C)(C)C#N)CC1 330752115 CGSUHISHOXSXMY-UHFFFAOYSA-N 313.401 1.758 30 50 DDEA Cc1oc(C#N)cc1C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 239636985 BHZOJUWGVGVDNJ-GFCCVEGCSA-N 313.361 1.592 30 50 DDEA CN(c1cccc(C#N)c1)[C@H]1CCN(c2nccn(C)c2=O)C1 585092202 JGZKADQOPCCYDM-HNNXBMFYSA-N 309.373 1.367 30 50 DDEA COc1cc(NC(=O)COC[C@@H]2CCCO2)c(F)cc1C#N 585126009 LBQSKGYRKKMDEH-NSHDSACASA-N 308.309 1.840 30 50 DDEA COc1cc(C#N)ccc1S(=O)(=O)N(C)[C@](C)(C#N)C1CC1 194815175 BMILIRQLIHUTGK-OAHLLOKOSA-N 319.386 1.880 30 50 DDEA C=C(C)Cn1c(SCCCC)nc2c1c(=O)n(C)c(=O)n2C 13382200 MSMWKSKPKOKUKD-UHFFFAOYSA-N 322.434 1.902 30 50 DDEA O=[N+]([O-])/N=C1\NCN(Cc2ccco2)CN1c1ccccc1 15835996 JRGUGVYZTLUTQU-UHFFFAOYSA-N 301.306 1.654 30 50 DDEA N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cn[nH]c3)C2)c(F)c1 109304546 XUAORLZAURKCON-CYBMUJFWSA-N 313.336 1.819 30 50 DDEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)CCn2cncn2)cn1 330333419 PTYUMRJBVMYHSD-DZGCQCFKSA-N 318.381 1.761 30 50 DDEA C=C(C)COc1cccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 63871715 XZGNRHYEBXRZCG-ZDUSSCGKSA-N 323.414 1.806 30 50 DDEA CN(CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc(C#N)cn1 230261185 GLHUFKIJVYGVMH-CABCVRRESA-N 314.389 1.559 30 50 DDEA C=CCN1C(=O)N(c2ncnn2C)C(=O)[C@H]1Cc1ccccc1 328595709 BNTQKOLHOWFUFG-CYBMUJFWSA-N 311.345 1.381 30 50 DDEA O=C1Oc2ccccc2C(=O)/C1=C\NCCNc1ncccn1 828327216 KSQCLGWPRUDMDZ-ZRDIBKRKSA-N 310.313 1.164 30 50 DDEA N#CC1(NC(=O)CN2CCC[C@H](c3ccn[nH]3)C2)CCCCC1 193855612 NOPPYWGNFYNPJS-AWEZNQCLSA-N 315.421 1.932 30 50 DDEA C#CCOc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1OC 13939774 NGZTTWYTZYHNEG-UXBLZVDNSA-N 306.705 1.541 30 50 DDEA C[C@@H]1CC[C@@H](N(CCO)C(=O)CNc2ccc(C#N)cc2)C1 585126759 HSSNBNRRRIUJAY-CZUORRHYSA-N 301.390 1.980 30 50 DDEA N#Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)cc1 591678630 CCYUGFXIIQBBCD-BBWFWOEESA-N 313.401 1.205 30 50 DDEA C=CCOc1cccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)c1 1704333284 YPMPPVALNGOMSR-CABCVRRESA-N 302.374 1.198 30 50 DDEA C#CCCC1(CCNC(=O)c2[nH]cc3c2CCS3(=O)=O)N=N1 2325887304 FCWWTTOJRSWMJT-UHFFFAOYSA-N 320.374 1.040 30 50 DDEA C[C@@H]1CN(c2ccc(C#N)cc2Br)C[C@H]1C(N)=O 284570397 IOWMFJFNGYFFGF-PSASIEDQSA-N 308.179 1.878 30 50 DDEA CC1=C(C)CN(/C(O)=N/C[C@H]2CCCS(=O)(=O)C2)CC1 329707757 LUNUIFUVLCTVQP-CYBMUJFWSA-N 300.424 1.767 30 50 DDEA N#C[C@H]1CN(Cc2ccc(-n3cncn3)cc2)CCN1C1CC1 371328063 RPDZXRVSFXUSOE-KRWDZBQOSA-N 308.389 1.439 30 50 DDEA CCNC(=O)[C@]12CCOC[C@@H]1CN(c1ccc(C#N)c(C)n1)C2 685940374 HOSQWYSNUCBAAZ-YOEHRIQHSA-N 314.389 1.241 30 50 DDEA COC(=O)c1cc(S(=O)(=O)N[C@H](C)C#N)c(F)cc1C 585086769 BTIRBFITGSCUOJ-MRVPVSSYSA-N 300.311 1.111 30 50 DDEA C=CCC(O)(CC=C)CNC(=O)[C@H]1CCC(=O)N(C2CC2)C1 11774757 PUGCIKGLEQGDFI-ZDUSSCGKSA-N 306.406 1.387 30 50 DDEA Cc1noc([C@H]2C[C@H](O)CN2Cc2cc(C#N)n(C)c2C)n1 328652969 WRMZDAKZXGGFRY-UONOGXRCSA-N 301.350 1.205 30 50 DDEA N#Cc1ccc(CNC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)nc1 854475199 MTBWFUODJZZYGP-RBSFLKMASA-N 312.373 1.264 30 50 DDEA C#CCCC1(CCNC(=O)c2nn(C)c3c2COCC3)N=N1 2325891603 QBGBXUBUICKEJM-UHFFFAOYSA-N 301.350 1.188 30 50 DDEA CC1(C)CC(=O)C2=C(C1)O[C@]1(O)c3ccccc3C(=O)[C@]21O 518711 XTAJCEXGQZCDRE-IAGOWNOFSA-N 300.310 1.433 30 50 DDEA biogenic C=CCOc1ccccc1C(=O)N1CCC(OC)(OC)[C@@H](O)C1 630030686 QAFUXSYOFCREQT-HNNXBMFYSA-N 321.373 1.447 30 50 DDEA Cc1[nH]c(=NCCc2nc[nH]c2Br)ccc1C#N 1875274899 COGHXYICUBMFGW-UHFFFAOYSA-N 306.167 1.824 30 50 DDEA CS(=O)(=O)c1ccc(C(=O)Nc2ccc(CC#N)cc2)[nH]1 1875341474 UTHGMZRLOORYSG-UHFFFAOYSA-N 303.343 1.737 30 50 DDEA CC#CCNC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 585114149 NTHNIHYHOHATEN-CYBMUJFWSA-N 322.405 1.542 30 50 DDEA C#CCCC1(CCC(=O)Nc2ncc(C3(O)COC3)s2)N=N1 2325892923 RIYJXLUUMRNHGZ-UHFFFAOYSA-N 320.374 1.655 30 50 DDEA N#Cc1cc2c(=O)n(Cc3ccc(CO)cc3)ccc2nc1O 67842277 GWPMQFKQGLORMP-UHFFFAOYSA-N 307.309 1.514 30 50 DDEA N#Cc1ccc(OC[C@@H](O)CS(=O)(=O)c2ccccc2)cc1 1399247 AYSBJDMUEFRQJN-CQSZACIVSA-N 317.366 1.772 30 50 DDEA CC(C)(C)c1nnc(C/N=C(/O)Cn2cnc(C#N)n2)s1 330211678 DEBVCPZASMNZJI-UHFFFAOYSA-N 305.367 1.455 30 50 DDEA C=CCn1c(SCc2n[nH]c(C)n2)nnc1C1CCNCC1 426477757 OYHDOHFXMMNXSM-UHFFFAOYSA-N 319.438 1.650 30 50 DDEA C#CCCC1(CCC(=O)N[C@]2(CC(=O)O)CCCOC2)N=N1 952876471 RTBYQVMFTJUMKW-AWEZNQCLSA-N 307.350 1.482 30 50 DDEA C[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CCS(=O)(=O)C1 192070641 RPLXYPVGOFSNJK-LBPRGKRZSA-N 318.402 1.072 30 50 DDEA N#CCCCC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 408237096 PHCVIVYVJIJUEV-UHFFFAOYSA-N 313.423 1.097 30 50 DDEA C#CCCC1(CCC(=O)N2CCC([C@H](O)C(=O)O)CC2)N=N1 1616032328 UBSPZVMUJVIXOO-ZDUSSCGKSA-N 307.350 1.026 30 50 DDEA Cn1cnnc1[C@H]1CN(CCOc2ccc(C#N)cc2)CCO1 328625870 DOZRUFHSXIKHGP-OAHLLOKOSA-N 313.361 1.139 30 50 DDEA CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cc(C#N)n(C)c2C)C1 328626011 DRRZSQDBPWXMIB-HUUCEWRRSA-N 315.377 1.859 30 50 DDEA N#Cc1c(CN2CC[C@H](CN3CCOCC3)C2)cn2ccccc12 129597279 GQZDCRCTCSGRJT-MRXNPFEDSA-N 324.428 1.965 30 50 DDEA C#CCCC1(CCC(=O)N2CCOC[C@H]2[C@H]2CCCN2C)N=N1 952879999 IRVMKCYJSSKYEN-CABCVRRESA-N 318.421 1.664 30 50 DDEA N#Cc1cccc(S(=O)(=O)NCc2cnn3c2CCCC3)c1 952994219 XJFLJCAHXCNHJG-UHFFFAOYSA-N 316.386 1.570 30 50 DDEA CC#CC(=O)NCc1ccc(N2CCCC[C@@H]2CCO)nc1 1875363071 FXDZKXNFNRBJFI-OAHLLOKOSA-N 301.390 1.462 30 50 DDEA CC1(C)OB(c2cccc(NC(=O)CCC(=O)O)c2)OC1(C)C 169794294 IOFRLFIFTQTDDV-UHFFFAOYSA-N 319.166 1.789 30 50 DDEA C#CCCC1(CCC(=O)NC[C@](C)(N)Cn2cccn2)N=N1 2325900684 FUVOGVLSZJNPNV-AWEZNQCLSA-N 302.382 1.072 30 50 DDEA C=C(C)COc1ccccc1C(=O)N1CCC(=O)NC[C@H]1C 55359858 UXYPRAYHVAVEMZ-CYBMUJFWSA-N 302.374 1.992 30 50 DDEA Cn1cc2c(n1)CCC[C@@H]2/C(O)=N/CCn1cnnc1C1CC1 328671648 NOFFJVAEOUQPQL-LBPRGKRZSA-N 314.393 1.966 30 50 DDEA C=CCn1c(SCC(=O)N2CCCCC2)nc(N)cc1=O 2797253 AXEHCBGPBVNQDC-UHFFFAOYSA-N 308.407 1.116 30 50 DDEA C=C(C)C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)O 630316387 CAEJMEQPBJGIGV-LBPRGKRZSA-N 316.313 1.062 30 50 DDEA Cc1nn(Cc2nc(C#N)cs2)c(C)c1[C@H]1COCCN1C 952893159 HURLXAZNRMNFBH-CYBMUJFWSA-N 317.418 1.880 30 50 DDEA COCC/N=C(/S)N1CCN(Cc2cccc(OC)c2)CC1 13519906 NVDAQEMSJHUARG-UHFFFAOYSA-N 323.462 1.745 30 50 DDEA CN1CCN(/C(O)=N/CC[C@@H]2CCCO2)C[C@@H]1c1ncc[nH]1 328630448 PVXICSCHWCELEX-QWHCGFSZSA-N 307.398 1.181 30 50 DDEA CN(C)C(=O)C[C@]1(O)CCCN(Cc2cc(C#N)ccc2F)C1 591644658 FTCQTHSWGNNIQD-QGZVFWFLSA-N 319.380 1.503 30 50 DDEA CN(C)C/C=C/C(=O)N(C)CCOCc1ccc(C#N)cc1 493583300 LUFBGVMWTNYMFW-SNAWJCMRSA-N 301.390 1.651 30 50 DDEA N#CC1(C(=O)NCc2cccc(OCC(=O)O)c2)CCOCC1 262731984 IENJGSYWGSKNPR-UHFFFAOYSA-N 318.329 1.087 30 50 DDEA N#Cc1cc(F)cc(C(=O)NCCN2CCCC[C@H]2CO)c1 670439985 PJUKSLHHRDBANZ-HNNXBMFYSA-N 305.353 1.274 30 50 DDEA CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ccc2cc(C#N)ccc2n1 596435856 OSMRUZROSSONOD-KGLIPLIRSA-N 317.370 1.330 30 50 DDEA COc1ccc(CCN[C@@]2(C#N)CN3CCC2CC3)cc1OC 19933556 XCICRKYWHHRREI-SFHVURJKSA-N 315.417 1.824 30 50 DDEA N#Cc1ccnc(C(=O)NC2CCN(Cc3ccncc3)CC2)c1 225808244 LHSQKLKWACJUSU-UHFFFAOYSA-N 321.384 1.743 30 50 DDEA CO[C@@H]1CN(c2ncc(Cl)c(C)c2C#N)C[C@H]1c1cnn[nH]1 591629271 IXBGFYSMBAAYOH-GXFFZTMASA-N 318.768 1.652 30 50 DDEA COC1(C/N=C(/O)N2CCN(C)[C@@H](c3nccn3C)C2)CCC1 328628353 NQUIIQGXRGCUOH-CYBMUJFWSA-N 321.425 1.192 30 50 DDEA C[C@@H](C(=O)NC1CCCCC1)N1CCCn2nc(C#N)cc2C1 670471938 HOWJQMRSYTUABO-ZDUSSCGKSA-N 315.421 1.798 30 50 DDEA CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)c1cnc(C#N)cn1 275868818 XYFOOYAMRKKSBI-AAEUAGOBSA-N 313.340 1.191 30 50 DDEA C=CCNc1ncnc2sc(C(=O)N[C@@H](C)CO)c(C)c12 12509867 LVZDWQHFFFXRIP-QMMMGPOBSA-N 306.391 1.708 30 50 DDEA N#Cc1ccc(CN2CCC[C@@H](N3CCNC3=O)C2)cc1F 365263157 UQCZMXSLDCAUNP-CQSZACIVSA-N 302.353 1.687 30 50 DDEA COC(=O)c1cc(C#N)ncc1N1CC[C@@H](O)CC(C)(C)C1 585133085 SBVWURAPVRRYET-GFCCVEGCSA-N 303.362 1.727 30 50 DDEA CC(O)=Nc1ccn([C@@H]2CCN(CC(=O)N3CCCC3)C2)n1 328624769 KEWVSXZQQZKTDU-CYBMUJFWSA-N 305.382 1.360 30 50 DDEA Cc1noc(C2CCN(/C(O)=N/[C@@H](C)Cn3cncn3)CC2)n1 328765879 PHIBNTKKMKBQDO-JTQLQIEISA-N 319.369 1.152 30 50 DDEA CN1C(=O)N[C@@H]2CN(Cc3cn4ccccc4c3C#N)CC[C@@H]21 285975932 OIDNPRLERQBNNX-ZBFHGGJFSA-N 309.373 1.409 30 50 DDEA CCCCCCCN1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 952982135 NTRIYBAHGFDUTM-HNNXBMFYSA-N 324.469 1.644 30 50 DDEA CNC(=O)[C@]1(COC)CCCN1Cc1ccc(C#N)c(OC)c1 591630091 XQJYOWIMNJQCBC-QGZVFWFLSA-N 317.389 1.294 30 50 DDEA C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2C#N)C[C@H]1CO 328614757 WWQSANOKQLLBPC-KOLCDFICSA-N 314.794 1.461 30 50 DDEA NC(=S)N/N=C/c1ccc(O)c(I)c1 131366 QNJPHLHLEBATCS-NYYWCZLTSA-N 321.143 1.164 30 50 DDEA CN(C)c1ncc(N=C(O)[C@@H]2CCO[C@H]2c2ccnn2C)cn1 328640549 XLDXIBKZXNLAMF-DGCLKSJQSA-N 316.365 1.642 30 50 DDEA C[C@@H](/C(O)=N/Cc1nc(O)n[nH]1)N1CCc2ccccc2C1 330072792 ZIBGCTVYJVHATH-JTQLQIEISA-N 301.350 1.414 30 50 DDEA N#Cc1ccc(OC2CN(C(=O)C[C@@H]3COC(=O)C3)C2)cc1 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30 50 DDEA C=C1CCN(S(=O)(=O)c2cc(F)ccc2NCCO)CC1 1615046643 SSIXUIFXNXSHKF-UHFFFAOYSA-N 314.382 1.571 30 50 DDEA O=C(O)C/N=C(\NS(=O)(=O)c1ccccc1)c1ccccc1 2815867 KAZLKSZVKKFVST-UHFFFAOYSA-N 318.354 1.496 30 50 DDEA C#CCCC1(CCC(=O)N[C@@]2(C(=O)O)C[C@@H](O)C23CCC3)N=N1 2325900877 MOJFDSUXVTZXRT-BDJLRTHQSA-N 319.361 1.217 30 50 DDEA N#Cc1cccc(N2CCN(Cc3ncccc3C(=O)O)CC2)c1 65507810 RLLWDUSJMXVYRH-UHFFFAOYSA-N 322.368 1.974 30 50 DDEA CN1CCO[C@@H](CN(CC(=N)O)/C(O)=N/Cc2ccccc2)C1 328622325 BDCGVGKQAWLGLX-CQSZACIVSA-N 320.393 1.268 30 50 DDEA CN(Cc1ncccn1)[C@H]1CCN(c2c(C#N)cccc2C#N)C1 368935023 ZAVWYINJYSJELW-INIZCTEOSA-N 318.384 1.931 30 50 DDEA N#C[C@@H]1CN(C(=O)COCCc2ccccc2)CCN1C1CC1 370986878 VTEBSKFTBZCHFV-QGZVFWFLSA-N 313.401 1.444 30 50 DDEA CC(C)(O)C#Cc1cccc(C(=O)NCc2nnc(N)s2)c1 223931787 JJJFXFUYKAVKDU-UHFFFAOYSA-N 316.386 1.173 30 50 DDEA C#CCCC1(CCC(=O)N2[C@H]3CC[C@@H]2CC(=O)N(C)C3)N=N1 952880261 FABVSWNYDASMCA-OLZOCXBDSA-N 302.378 1.564 30 50 DDEA 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30 50 DDEA Cc1c([C@H]2OCC[C@@H]2/C(O)=N/[C@@H]2CC(C)(C)OC2=O)cnn1C 328609981 GGSZWTYWNJSGJF-UHTWSYAYSA-N 321.377 1.857 30 50 DDEA CN1CCO[C@H](CN(CC(=N)O)/C(O)=N/[C@H]2C=CCCC2)C1 328621686 AQJNALRSVNCMAJ-STQMWFEESA-N 310.398 1.177 30 50 DDEA Cc1ncc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C(C)C)n1 363411418 OIIKDAHVPXPVSI-CQSZACIVSA-N 313.405 1.721 30 50 DDEA Cc1c(C(=O)N2CCCC[C@H]2CCN(C)C)cnc(O)c1C#N 72425053 ISLQMIRUEZUWAR-ZDUSSCGKSA-N 316.405 1.914 30 50 DDEA N#Cc1ccc(CN2CCC3(CC2)[C@@H](OCCO)C[C@H]3O)cc1 91551875 WIIYHSXXTFBGGD-SJORKVTESA-N 316.401 1.283 30 50 DDEA C#CCCC1(CCC(=O)N2CC[C@H](Cn3ccnn3)C2)N=N1 952880345 FQYUEVUBBSBWBX-ZDUSSCGKSA-N 300.366 1.482 30 50 DDEA CCO[C@H]1C[C@@](O)(CNC(=O)c2cccc(C#N)c2)C1(C)C 191790504 RNJZNFOYWUKNJH-WMLDXEAASA-N 302.374 1.854 30 50 DDEA CCOCCCN1C(=O)C(=O)/C(=C(/C)N)[C@@H]1c1ccc(O)cc1 1848444158 RCKQFIZBMMBBSP-SZGZABIGSA-N 318.373 1.504 30 50 DDEA COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCCO)cc1 18033200 YPQZPKOMSGUVGJ-AWEZNQCLSA-N 305.330 1.362 30 50 DDEA C#CCCC1(CCC(=O)N2CCC(=O)N3CCCC[C@H]32)N=N1 2325892960 WZUODQBOKQCLJX-CYBMUJFWSA-N 302.378 1.913 30 50 DDEA COc1ccc(CN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cc1C#N 284788813 YWHJDTKNDZISKX-BRWVUGGUSA-N 316.401 1.929 30 50 DDEA N#C[C@@H]1CCC[C@H]1S(=O)(=O)NCc1ccc2c(c1)OCO2 1775989583 QAZUDQWZGWLYKQ-SMDDNHRTSA-N 308.359 1.527 30 50 DDEA CS(=O)(=O)OC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 142363991 XEXKLYWORMEHAP-UHFFFAOYSA-N 300.336 1.540 30 50 DDEA in-vitro Cc1oc(C#N)cc1/C(O)=N/C[C@H]1CCN(S(C)(=O)=O)C1 331231827 QXKUVZHLPROBRV-SNVBAGLBSA-N 311.363 1.046 30 50 DDEA C[C@H](c1cccc(C#N)c1)N1CCN(C(=O)C(C)(C)O)CC1 241965608 UUIHGAPTDJHLCT-CYBMUJFWSA-N 301.390 1.534 30 50 DDEA N#C[C@H]1C(=O)Nc2[nH]c(N)nc(=O)c2[C@@H]1c1ccc(Cl)cc1 6667766 NFGHAKSXFCUBMH-RKDXNWHRSA-N 315.720 1.229 30 50 DDEA C#CCOc1cccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c1 3905020 HTRUZCKJPCGHQN-VOTSOKGWSA-N 313.269 1.566 30 50 DDEA CC(=O)/C=C(/C)O[Sn]O/C(C)=C\C(C)=O 170161591 XDRPDDZWXGILRT-FDGPNNRMSA-L 316.929 1.539 30 50 DDEA 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NLYMWHAWZYNINW-AWEZNQCLSA-N 301.325 1.399 30 50 DDEA CO[C@@H]1[C@H](c2ccccc2)[C@H](C#N)C(=O)N[C@]1(O)c1ccccc1 71767027 ZUVBQDBYJLRWPW-FAJBIJEISA-N 322.364 1.900 30 50 DDEA CN(CCC#N)C(=O)CCN1CC[C@H](O)c2ccccc2C1 374956874 VCOXXRCSKNKZGL-INIZCTEOSA-N 301.390 1.688 30 50 DDEA C=CCOC[C@@H](NC(=O)Cc1c(C)[nH]c2ccccc12)C(=O)O 262972430 KBNHQZWYSZRSJB-OAHLLOKOSA-N 316.357 1.791 30 50 DDEA Cc1ccc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)o1 159988741 VIMGJGDBOLUYEF-UHFFFAOYSA-N 308.290 1.718 30 50 DDEA CN(CC#CCN(C)C[C@H]1CCCOC1)C[C@H]1CCCOC1 341895284 LDZCCEYOAOKBNH-QZTJIDSGSA-N 308.466 1.707 30 50 DDEA O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@H]1CO1 1875373238 WPYQDRPOWLJAIH-BXKDBHETSA-N 300.280 1.799 30 50 DDEA C=C(C)CS(=O)(=O)NCC1CCN(c2ccncc2)CC1 189792707 QNOIEAGSQUTZSJ-UHFFFAOYSA-N 309.435 1.794 30 50 DDEA Cc1cc(C#N)ccc1CN1CC[C@@H](n2cc(C(N)=O)nn2)C1 591655618 SAIJIAKLQZTPBH-CQSZACIVSA-N 310.361 1.004 30 50 DDEA C(#Cc1ccc(C#CCN2CCOCC2)cc1)CN1CCOCC1 19205139 DPLLXVHQUWBLEY-UHFFFAOYSA-N 324.424 1.054 30 50 DDEA in-vitro COC(=O)c1ccc(/C=N/Nc2nnnn2-c2ccccc2)cc1 4199605 VJQGGURPSFHORP-GZTJUZNOSA-N 322.328 1.895 30 50 DDEA CCN1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1nccn1C 328621221 HOTXVYGSYQUQAV-AWEZNQCLSA-N 312.377 1.139 30 50 DDEA CN(C)C(=O)C[C@]1(O)CCCN(Cc2ccc(C#N)c(F)c2)C1 591630151 INWZLHNZEXVGBV-QGZVFWFLSA-N 319.380 1.503 30 50 DDEA Cn1ccc(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 181451208 ZZHIVWYOBLQHID-KRWDZBQOSA-N 323.400 1.199 30 50 DDEA C#CCCC1(CCNC(=O)Cn2c(O)nc3ccccc32)N=N1 2325891236 ZUFIZTBRHLXFMD-UHFFFAOYSA-N 311.345 1.824 30 50 DDEA CCS(=O)(=O)NCCC/N=C(/O)N1CCSC(C)(C)C1 328596112 SOQIRCDGXPQDQG-UHFFFAOYSA-N 323.484 1.057 30 50 DDEA N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCc2ccc[nH]2)c1 364475204 GPLBOSJLVCOPQG-MRXNPFEDSA-N 322.368 1.694 30 50 DDEA N#Cc1cccnc1N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 241719771 QPKKQULAVWPHCO-UGSOOPFHSA-N 315.336 1.803 30 50 DDEA COCCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169810171 YDQWOIRDNLVORD-UHFFFAOYSA-N 319.210 1.752 30 50 DDEA in-vitro C=CCOc1ccccc1C(=O)N1CCN(c2nc[nH]n2)CC1 585130656 XTGQBNYTXOJIHE-UHFFFAOYSA-N 313.361 1.332 30 50 DDEA Cc1ccc(S(=O)(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 439527 SSIYXPQTINJTLT-MDWZMJQESA-N 309.303 1.809 30 50 DDEA O=[N+]([O-])c1ccc(N/N=C\c2ccc(N3CCOCC3)o2)nc1 5059075 TYMPBSWPQZWLGQ-YBEGLDIGSA-N 317.305 1.865 30 50 DDEA C=CCN1C(=O)/C(=C\c2ccccc2OCC)C(=O)NC1=S 12362876 OHTWZCGNLGVGIE-BENRWUELSA-N 316.382 1.898 30 50 DDEA C=CCN[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O 2729331 PQRNECZNUOWQBI-ZDUSSCGKSA-N 302.330 1.271 30 50 DDEA CC(C)C(=O)Nc1cc(C(=O)N2CC[C@](O)(CC#N)C2)ccn1 592854736 ZJOJGVMTFBFEIX-MRXNPFEDSA-N 316.361 1.167 30 50 DDEA C=CCc1cc(/C=C2/NC(=S)N(C)C2=O)cc(OC)c1O 100956507 BBWPFTZZQWOYDI-YRNVUSSQSA-N 304.371 1.817 30 50 DDEA CCN(Cc1nc(COC)no1)C(=O)c1cc(F)cc(C#N)c1 55060685 DKEBLBPHCZHDFQ-UHFFFAOYSA-N 318.308 1.889 30 50 DDEA Cc1cc(C(=O)NCCO)ccc1B1OC(C)(C)C(C)(C)O1 170004170 NNFUJUWCLSKQHM-UHFFFAOYSA-N 305.183 1.016 30 50 DDEA N#Cc1ccc(NCCNS(=O)(=O)c2cccs2)cn1 120019178 LYXJKWWRFGECSX-UHFFFAOYSA-N 308.388 1.405 30 50 DDEA CN(CC1CC1)C[C@@H]1CN(/C(O)=N/C[C@@H]2CCCO2)CCO1 328644549 RURULOMSABCTRM-LSDHHAIUSA-N 311.426 1.122 30 50 DDEA CN1CCO[C@@H](CN(CC2CC2)/C(O)=N/C2CCOCC2)C1 328649837 VFPQKCUENGLENJ-OAHLLOKOSA-N 311.426 1.122 30 50 DDEA C=CCOC(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O 4899908 IHXJYHSRKKRBPX-SNVBAGLBSA-N 316.354 1.657 30 50 DDEA biogenic CC(C)N1C(=O)N[C@@]2(CCN(c3ccc(C#N)cc3F)C2)C1=O 378247527 DUIIVQOUPKCVDC-MRXNPFEDSA-N 316.336 1.606 30 50 DDEA C#CCCC1(CCC(=O)N2CCc3nnc(OC)cc3C2)N=N1 952882021 QZAGCCLSALYEEG-UHFFFAOYSA-N 313.361 1.726 30 50 DDEA C[C@H]1CN(CCCNC(=O)c2ccc(F)c(C#N)c2)C[C@@H](C)O1 278768266 WWFMGTFCRSAGKT-BETUJISGSA-N 319.380 1.926 30 50 DDEA COC(=O)c1coc(S(=O)(=O)N(C)[C@@](C)(C#N)C2CC2)c1 194817746 TVMJKPXANDIKRS-ZDUSSCGKSA-N 312.347 1.379 30 50 DDEA COC(=O)COc1c(Br)cc(C#N)cc1OC 4829106 RUXVAOJPDYQBLU-UHFFFAOYSA-N 300.108 1.881 30 50 DDEA Cn1cc([C@H]2OCC[C@@H]2/N=C(/O)COC[C@@H]2CCCO2)cn1 328627779 NCKAUKSECJQXRB-KCQAQPDRSA-N 309.366 1.402 30 50 DDEA COCCN1CCC[C@]2(CCN(c3ncccc3C#N)C2)C1=O 91616685 SYERQBZJPHGERG-QGZVFWFLSA-N 314.389 1.419 30 50 DDEA C#CCCC1(CCC(=O)N[C@H]2CCO[C@H]2c2nc(C)no2)N=N1 952876372 OGWKNHJTCGFZJI-WCQYABFASA-N 317.349 1.680 30 50 DDEA N#CC[C@H](C(=O)N1CC(c2cc(CO)on2)C1)c1ccccc1 886085718 LPJNQUFTPLCZDM-HNNXBMFYSA-N 311.341 1.790 30 50 DDEA Cn1[nH]c([C@@H]2CCCN(c3nc(Cl)c(C#N)s3)C2)nc1=N 1776006563 XTLWWZZWAPUOHE-SSDOTTSWSA-N 323.813 1.593 30 50 DDEA C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H]12 33902351 DCNRYQODUSSOKC-MMLVVLEOSA-N 304.342 1.817 30 50 DDEA biogenic,in-vitro N#CCCN(CCC#N)C(=O)CN1CCSC[C@@H]1C1CC1 328600559 YRBHNCOJQURTRH-CQSZACIVSA-N 306.435 1.470 30 50 DDEA COC(=O)/C=C/CNC(=O)c1ccc(N2CCCC2)c(C#N)c1 1875312129 UCBKMOOABSIOSB-SNAWJCMRSA-N 313.357 1.617 30 50 DDEA Cn1cnnc1C[C@@]1(O)CCCN(Cc2cccc(C#N)c2)C1 886088482 HRBKYPOAHDUKLH-KRWDZBQOSA-N 311.389 1.256 30 50 DDEA N#Cc1c(Cl)nsc1N1CCC(O)(Cc2cc[nH]n2)CC1 1775998647 GXHDYQMPFUUSNC-UHFFFAOYSA-N 323.809 1.965 30 50 DDEA N#CCN(C1CC1)S(=O)(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 1615586100 PZPLUDPYIWTSCT-UHFFFAOYSA-N 317.273 1.550 30 50 DDEA Cc1n[nH]c(N/N=C/c2ccccc2Br)nc1=O 12341105 FQDDEBMJHPPFJB-AWNIVKPZSA-N 308.139 1.682 30 50 DDEA C#CCCC1(CCNC(=O)c2ccc3c(c2)C(=O)NCC3)N=N1 2325891460 HZSFDOGDDQNWFV-UHFFFAOYSA-N 310.357 1.668 30 50 DDEA Nc1nc2c(s1)[C@H](c1cc(C#CCO)cs1)CC(=O)NC2 65410697 XDPJKDJZYUCZGJ-VIFPVBQESA-N 319.411 1.282 30 50 DDEA Cc1noc(C2CCN(/C(O)=N/[C@H](C)Cn3cncn3)CC2)n1 328765880 PHIBNTKKMKBQDO-SNVBAGLBSA-N 319.369 1.152 30 50 DDEA C#CCOCCOCCOCCOCC(=O)OC(C)(C)C 34619940 YWUOCZSOXBPJMP-UHFFFAOYSA-N 302.367 1.028 30 50 DDEA Cc1ccc(N2CCC[C@@H](S(=O)(=O)N(C)C)C2)nc1C#N 376201866 YDTISKZYHJJPNB-GFCCVEGCSA-N 308.407 1.122 30 50 DDEA C=C[C@@H](C)[C@H](OCOC)[C@@H]1O[C@@H]1[C@@H](O)CO[C@@H]1CCCCO1 216531959 AIXWGERXXFTMIX-TWHJKIGZSA-N 316.394 1.469 30 50 DDEA CCC#CCN1CCn2nc(CCC(=O)N3CCCC3)cc2C1 82119983 FCOGLGBNOPKWJM-UHFFFAOYSA-N 314.433 1.667 30 50 DDEA C[C@H]1[C@H]2C[C@@H]([C@H](S(=O)(=O)N3CCOCC3)/C2=N/O)C1(C)C 229980091 JTMDMGQYQGJKGV-NUXJVKPNSA-N 316.423 1.159 30 50 DDEA C=CCOC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 94568742 LKXLDZQGKGEICY-LBPRGKRZSA-N 307.302 1.485 30 50 DDEA COCCN1C(=O)N[C@@H]2CN(c3ccc(C#N)cc3)CC[C@@H]21 299743738 PEJRIIFNEQJUNI-CABCVRRESA-N 300.362 1.177 30 50 DDEA C=CCN1C[C@@H](C(=O)NCc2nc3ccccc3n2C)CC1=O 820474780 CONALMWYVGDPSK-LBPRGKRZSA-N 312.373 1.224 30 50 DDEA C=C[C@](C)(O)CC(=O)N1C[C@H](C)[C@H](n2cc(/C=C/C)nn2)C1 1875323376 GFAYKLWMUPVZKO-PVVAFXFTSA-N 304.394 1.658 30 50 DDEA COCc1ncc2c(n1)CCN(C[C@@H](O)c1ccc(C#N)cc1)C2 879107137 HGBPVSDZAWVYHO-QGZVFWFLSA-N 324.384 1.586 30 50 DDEA COCCn1nnc2c1CCN(c1cc(F)ccc1C#N)C2 1365226466 GFKBEQDBXFOXPZ-UHFFFAOYSA-N 301.325 1.498 30 50 DDEA N#CC1(CS(=O)(=O)N2Cc3ccccc3[C@@H](C(=O)O)C2)CC1 596023951 NUQSFSRMSQDAOE-ZDUSSCGKSA-N 320.370 1.304 30 50 DDEA C=CCOC[C@@H](O)CN1CCN(c2ccccc2OC)CC1 20707299 MVSZZGFTGMCPDL-HNNXBMFYSA-N 306.406 1.381 30 50 DDEA O=C1C=C2C[C@@]3(O)COc4c(ccc(O)c4O)C3=C2C=C1O 4645692 HLUCICHZHWJHLL-MRXNPFEDSA-N 300.266 1.330 30 50 DDEA aggregator,biogenic,in-vitro O=S1(=O)CC[C@H](NC(=S)N/N=C/C=C/c2ccccc2)C1 23550078 RYOXHMALSQCJFF-VISMFHTBSA-N 323.443 1.337 30 50 DDEA COCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] 170018657 GWSADQZJYCTBNY-UHFFFAOYSA-N 323.154 1.919 30 50 DDEA Cc1ccc(N=C(O)N[C@H]2CCO[C@@H]2c2nccn2C)cn1 328625214 KLPHUVIPXSYDNW-STQMWFEESA-N 301.350 1.789 30 50 DDEA CC[C@@H](C)/N=C/c1c(NCCO)nc2c(C)cccn2c1=O 3167616 VJOLCJCTCKIFHM-SGEFVQMOSA-N 302.378 1.625 30 50 DDEA CCN(CC)c1ccc(/C=N/Nc2nc(=O)c(C)n[nH]2)cc1 4158478 HLHSRIWRSVQKCF-MHWRWJLKSA-N 300.366 1.766 30 50 DDEA O=C(C/N=C(/O)Cn1ccc(=O)c2sccc21)N1CCCC1 329746104 YSHIKNUDJSLGJG-UHFFFAOYSA-N 319.386 1.642 30 50 DDEA N#Cc1cc(Cl)ccc1N1CC[C@](O)(Cn2ccnn2)C1 585788553 FKFPQCCTFQRGSL-CQSZACIVSA-N 303.753 1.445 30 50 DDEA C#CCOc1c(I)cc(CO)cc1OC 2838669 LHHOFHZZEREULB-UHFFFAOYSA-N 318.110 1.804 30 50 DDEA N#Cc1ccc(C(=O)N2CCCC[C@H]2CN2CCOCC2)cn1 115379337 BUCULGRSAIPCLG-INIZCTEOSA-N 314.389 1.280 30 50 DDEA Cc1[nH]c(C#N)c(C)c1[C@H]1NC(N)=Nc2nc3ccccc3n21 19874308 FACJEKCVFJVNJF-AWEZNQCLSA-N 305.345 1.949 30 50 DDEA CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H](O)Cc2ccccc21 332659174 ATGQLWIFWVMBEN-XUWXXGDYSA-N 315.417 1.853 30 50 DDEA CCn1ccnc(N[C@@H]2CCCN(c3ccccc3C#N)C2)c1=O 367376803 FBWURFOWSUTKLS-OAHLLOKOSA-N 323.400 2.216 30 50 DDEA CNS(=O)(=O)c1ccc(NCc2cc(C#N)cs2)nc1 170603109 BZSCOIPJPLXUDL-UHFFFAOYSA-N 308.388 1.535 30 50 DDEA Cc1cc(C)n(/N=C/c2ccc(N(C)C)cc2)c(=O)c1C(N)=O 206302 INKYHRMGIQRUJU-VXLYETTFSA-N 312.373 1.512 30 50 DDEA CS(=O)(=O)N1CCC(C(=O)Nc2ccc(CC#N)cc2)CC1 65363117 MEWBVUYCFCKPMO-UHFFFAOYSA-N 321.402 1.363 30 50 DDEA N#Cc1nccnc1N1CCCN(C(=O)c2cscn2)CC1 1057104863 KWZMAUOZUUKXGW-UHFFFAOYSA-N 314.374 1.157 30 50 DDEA Cn1cncc1[C@H]1C[C@H](NC(=O)c2cccc(C#N)c2)CCO1 276484930 ZVFRQUCLDDAHQU-GDBMZVCRSA-N 310.357 1.942 30 50 DDEA N#Cc1ccc(S(=O)(=O)NC2CCCC2)c(NCCO)c1 1615050900 JORHABVRPVJPMQ-UHFFFAOYSA-N 309.391 1.183 30 50 DDEA CCOC(=O)/C(=N/Nc1ccc(OC)cc1[N+](=O)[O-])C(C)=O 4991576 GRYFEPKOHBRENJ-NTCAYCPXSA-N 309.278 1.523 30 50 DDEA O/C(Cn1ccnn1)=N/C[C@@H]1C[C@H](F)CN1Cc1cccs1 328655363 YFYWJPKYPMYVJD-RYUDHWBXSA-N 323.397 1.909 30 50 DDEA COc1nn([C@H]2CCCCO2)cc1B1OC(C)(C)C(C)(C)O1 2325903858 NXBPRVQLFJSFJG-GFCCVEGCSA-N 308.187 1.890 30 50 DDEA COc1ccc(CC(=O)ONC(=N)c2ccncc2)cc1OC 3615928 XTPNNJBTLCHIGP-UHFFFAOYSA-N 315.329 1.715 30 50 DDEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 5047077 IKNZDTIJDZVKKZ-UHFFFAOYSA-N 314.385 1.147 30 50 DDEA N#C[C@@H]1C(=O)Nc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1cccs1 221527302 OVKIFOJAZYPSMP-CAHLUQPWSA-N 304.356 1.718 30 50 DDEA C=CCc1cc(C(=O)NC[C@H]2CC(=O)N(C)C2)ccc1OC 584895815 LCRWGFFAWKHBKT-GFCCVEGCSA-N 302.374 1.632 30 50 DDEA CC1(C)OB(c2cc(F)cc(N3CCOCC3)c2)OC1(C)C 198066218 RTEFOWFSMDQVNH-UHFFFAOYSA-N 307.174 1.962 30 50 DDEA in-vitro C#CC1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C1 583650757 AITIBYQAYGSKLE-LLVKDONJSA-N 304.296 1.409 30 50 DDEA Oc1ccc(/C=N/n2c(S)nnc2-c2ccccn2)cc1O 1273081 IWRZAMJMJLIERK-LZYBPNLTSA-N 313.342 1.922 30 50 DDEA N/C(=N\OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1 4685095 ZFMBMLWQTGCJAG-UHFFFAOYSA-N 322.302 1.016 30 50 DDEA N#Cc1cccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)c1 1857715386 PCJMWYREHPCBIF-YESZJQIVSA-N 311.385 1.540 30 50 DDEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)c2nccnc2N)cn1 328637981 WFAHARZROGXMKB-WCQYABFASA-N 316.365 1.500 30 50 DDEA C#CCCC1(CCNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)N=N1 2325887194 XNAKYRLXGFTLDF-UHFFFAOYSA-N 312.333 1.026 30 50 DDEA Cn1cc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)c2cnns2)cn1 328637717 OSKTYYLTCNDGGD-QWRGUYRKSA-N 324.385 1.189 30 50 DDEA N#CC1(c2ccccn2)CCN(C[C@@H](O)Cn2cccn2)CC1 367067708 STEOCDSNLHZTDQ-OAHLLOKOSA-N 311.389 1.196 30 50 DDEA Cc1cccc(C(=O)N2CCN(c3ccccc3C#N)C(=O)C2)n1 82138274 QRTHUGGGWILTOA-UHFFFAOYSA-N 320.352 1.751 30 50 DDEA O=[S@+]1(O)C[C@H]2NC(=S)N(c3ccc(Cl)c(F)c3)[C@H]2C1 334158335 HMRPMGYAIZRESY-ZJUUUORDSA-P 321.806 1.897 30 50 DDEA C=CCc1c(C)nc(N)nc1N1CCC[C@@H](c2ncon2)C1 95357474 SUKYTBUVNRVUSU-LLVKDONJSA-N 300.366 1.863 30 50 DDEA CCOC(=O)N1CC[C@@H](N2CCCn3nc(C#N)cc3C2)C1 584894211 VERKHRLHSQDLEP-CYBMUJFWSA-N 303.366 1.191 30 50 DDEA COc1ncc(NC(=O)C2(C(=O)NC3CC3)CCC2)cc1C#N 685944905 HJJDNVMTRFLIRX-UHFFFAOYSA-N 314.345 1.349 30 50 DDEA C=CCOc1ccc(CN2CC[C@@H](O)[C@@H](C(=O)O)C2)cc1OC 1529152289 RUBLKWBVXOVHGF-UONOGXRCSA-N 321.373 1.527 30 50 DDEA NC(N)=NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 4546059 RXMIJZWDLKPPFU-UHFFFAOYSA-N 324.406 1.168 30 50 DDEA C#CC(C)(C)N1CCN(S(=O)(=O)c2ccccc2F)CC1 2325765974 PNIKGFYPWVKDOS-UHFFFAOYSA-N 310.394 1.544 30 50 DDEA C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 3875420 UIQMVEYFGZJHCZ-SSTWWWIQSA-N 311.381 1.754 30 50 DDEA world CO[C@@H]1[C@H](c2ccccc2)[C@@H](C#N)C(=O)N[C@]1(O)c1ccccc1 101357025 ZUVBQDBYJLRWPW-MTNOOBJLSA-N 322.364 1.900 30 50 DDEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(O)cc1O)[C@H]1C=C[C@H]2C12CC2 105209450 AOSRHVBECSSYLY-VZGSVQRJSA-N 324.336 1.629 30 50 DDEA C=CCN(C(=O)Cc1cc(C)no1)[C@@]1(C)CCS(=O)(=O)C1 67755556 UCDVUIGRYBLEPT-AWEZNQCLSA-N 312.391 1.117 30 50 DDEA N#Cc1ccc(N2CCN(C(=O)c3ccnc(N)c3)CC2=O)cc1 77356150 GIKXFDORLSQSPA-UHFFFAOYSA-N 321.340 1.024 30 50 DDEA N#C[C@@H]1CN(C(=O)Cc2n[nH]c3ccccc23)CCN1C1CC1 371623167 XFLIFTMPVITCDB-CYBMUJFWSA-N 309.373 1.304 30 50 DDEA N#Cc1ccc(OCCN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 284861950 QXSHPDNNIWRRCL-RCCFBDPRSA-N 316.401 1.799 30 50 DDEA Cc1cc(C)c(C#N)c(N2CCC[C@@H](N3CCOCC3)C2)n1 72141812 BNORKNPFIYAOHX-OAHLLOKOSA-N 300.406 1.871 30 50 DDEA CN(CCC#N)C(=O)CCN1CCO[C@H](c2ccc(F)cc2)C1 179191088 OTVGNKJXAZMNMO-INIZCTEOSA-N 319.380 1.961 30 50 DDEA N#Cc1ccc(N[C@@H]2CCN(Cc3ccccn3)C[C@H]2O)nc1 244695645 JPUITTCESYCEBO-HZPDHXFCSA-N 309.373 1.396 30 50 DDEA C[C@@H](CC#N)NC(=O)[C@H]1CCC[C@@H](C(=O)N[C@H](C)CC#N)C1 181542784 PJLQBNVJZRTEDQ-KPWCQOOUSA-N 304.394 1.630 30 50 DDEA C[C@@]1(C#N)CCCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C1 670451678 KQUQUPOMZNCQRY-INIZCTEOSA-N 320.414 1.785 30 50 DDEA C=CCn1ncc2c(O)nc(NCCc3nccnc3C)nc21 1615548032 BIFCJKIWXYHDIM-UHFFFAOYSA-N 311.349 1.471 30 50 DDEA CN(CC(=O)Nc1ccc(Cl)cc1C#N)S(C)(=O)=O 585125354 PAKKEDZJQJDBSL-UHFFFAOYSA-N 301.755 1.042 30 50 DDEA C#CCCC1(CCNC(=O)CN2CCc3ccccc3C2=O)N=N1 2325890912 CIDBXEJASPMDRX-UHFFFAOYSA-N 324.384 1.767 30 50 DDEA CN1CCO[C@H](CN(CC2CC2)/C(O)=N/C[C@@H]2CCCO2)C1 328626056 DTWHMXLYRZTJEH-GJZGRUSLSA-N 311.426 1.122 30 50 DDEA Cc1nc([N+](=O)[O-])c(C(=O)OCc2ccccc2C#N)n1C 1428983 OEFLKHKXHDKOEX-UHFFFAOYSA-N 300.274 1.865 30 50 DDEA C=CCOC(=O)c1[nH]c2c(c1C)C(=O)[C@@H](C(=O)OC)[C@H](C)C2 2499364 WDEOGJQPVWYFDC-KCJUWKMLSA-N 305.330 1.830 30 50 DDEA C[C@@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CCCO1 366850636 UDJRPRJTJSNFQX-CYBMUJFWSA-N 310.357 1.995 30 50 DDEA CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(c2cccnc2C#N)C1 368112756 JCZUFVIMPUTUOP-LBPRGKRZSA-N 324.388 1.762 30 50 DDEA CC(C)(C)[C@H](C#N)NC(=O)c1ccc(N2CCNC2=O)cc1 267543132 VZFQCGQVXMLJEB-ZDUSSCGKSA-N 300.362 1.884 30 50 DDEA C#CC[C@@H](CO)NC(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 864095535 PQNOUBSEMWVQOH-RISCZKNCSA-N 318.373 1.202 30 50 DDEA C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@]1(C(=O)O)CCSC1 299743479 NSEIYRSFDCBYQD-BMIGLBTASA-N 320.370 1.402 30 50 DDEA Cn1cnc(C(=O)NC2CCN(c3ncccc3C#N)CC2)c1 299759020 MVHIYUDHRRCILE-UHFFFAOYSA-N 310.361 1.086 30 50 DDEA CC#CCNC(=O)c1c(I)n[nH]c1C 585131857 IEHKUBAALAKYMH-UHFFFAOYSA-N 303.103 1.076 30 50 DDEA CN(C[C@H]1CCOC1)C(=O)c1cccc(C#CC(C)(C)O)c1 952966762 GFSWOUHSGMSZJJ-OAHLLOKOSA-N 301.386 1.918 30 50 DDEA CN1CCC[C@]2(CO)CCN(C(=O)c3cccc(C#N)c3)C[C@@H]12 1704342231 KXMWHFYRESJRLY-SJLPKXTDSA-N 313.401 1.477 30 50 DDEA CCc1nc(SCC(=O)N2CCC(C)CC2)[nH]c(=O)c1C#N 5238902 UFEDBUFBWVYJCR-UHFFFAOYSA-N 320.418 1.555 30 50 DDEA CNC(=O)C[C@]1(O)CCCN(Cc2ccc(OC)c(C#N)c2)C1 591634434 XBBBJIUZOISEHY-QGZVFWFLSA-N 317.389 1.030 30 50 DDEA C#CCNC(=O)CNC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 2325720503 ZYRWCVQSKSHNSE-UHFFFAOYSA-N 323.274 1.666 30 50 DDEA C#CCCC1(CCC(=O)NCCc2nc(C3CC3)n[nH]2)N=N1 2325899940 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50 DDEA C=C[C@@H](O)C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 1148674926 ORHCDXZZPZVXRO-GHMZBOCLSA-N 300.236 1.813 30 50 DDEA CN1CCC[C@H](CNC(=O)c2ccc(C#CC(C)(C)O)o2)C1 67675457 UNQHURMSWKNQFR-CYBMUJFWSA-N 304.390 1.474 30 50 DDEA C=CCC(=O)N1CCN(Cc2noc(C3CCOCC3)n2)CC1 253415666 YHUJHSYHRYFTNH-UHFFFAOYSA-N 320.393 1.184 30 50 DDEA CC(C)[C@](C)(C#N)NC(=O)CNc1cccc2c1OCC[C@@H]2O 253418865 BWGLEUGJGKVUGL-YOEHRIQHSA-N 317.389 1.969 30 50 DDEA N#Cc1cccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 220116792 XUPXCMQDEZQPKA-QGZVFWFLSA-N 313.401 1.931 30 50 DDEA Cc1cn2nc(N[C@H]3CCN(c4cnc(C#N)cn4)C3)ccc2n1 614776041 ADIRWRUSMZMQTL-LBPRGKRZSA-N 320.360 1.390 30 50 DDEA C[C@](C#N)(NC(=O)CN1CCc2ccc([N+](=O)[O-])cc21)C1CC1 195561273 DOUBJRHZEPGZRQ-MRXNPFEDSA-N 314.345 1.766 30 50 DDEA Cc1noc(C2CN(C(=O)[C@H](C)Oc3ccccc3C#N)C2)n1 225499216 WWFWNDQPFVNGLA-JTQLQIEISA-N 312.329 1.643 30 50 DDEA CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O 1640084 POBDBYGSGKMZPH-LLVKDONJSA-N 314.338 1.143 30 50 DDEA C=CCN(C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)C(C)C 67855265 WSSSSQQRVFORFG-UHFFFAOYSA-N 310.419 1.987 30 50 DDEA CC(=O)ONc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 34645124 ZKPJOXMWMFKNOJ-UHFFFAOYSA-N 311.319 1.674 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)N=N1 952881287 MBBRPZPZBHDKCD-UKRRQHHQSA-N 305.378 1.796 30 50 DDEA C=CCn1cc(C(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)nn1 952886516 BBJKWAKXCRMICU-ZDUSSCGKSA-N 316.365 1.018 30 50 DDEA Cc1nc(C#N)c(=N)[nH]c1N1CCC(N2CCCCC2)CC1 1875256626 IVQQCROYUNWEFR-UHFFFAOYSA-N 300.410 1.524 30 50 DDEA CC1(C#N)CN(S(=O)(=O)CC2(C(C)(F)F)CCOCC2)C1 1875275567 XBMWKSDSIGYKRI-UHFFFAOYSA-N 322.377 1.614 30 50 DDEA C=CC(=O)N(CC)CC(=O)N[C@H](COC)c1cccc(C#N)c1 1875367014 KSDXAYRXDMMOSG-OAHLLOKOSA-N 315.373 1.396 30 50 DDEA Cc1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)c(C#N)c1C 273707855 DVZABBRTGIYIPJ-LBPRGKRZSA-N 300.366 1.005 30 50 DDEA N#Cc1cccc(CN[C@@H]2CCCN(c3nccnc3O)C2)c1 275627636 SBHRHCNPGYDDQC-OAHLLOKOSA-N 309.373 1.812 30 50 DDEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N1CCOCC1 169745791 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308.300 1.875 30 50 DDEA Cn1ncc2c1C[C@@H](/C(O)=N/Cc1nnnn1CC1CC1)CC2 328681477 VCDTZOXWLINVJL-NSHDSACASA-N 315.381 1.078 30 50 DDEA CCn1cc(-c2c(C#N)c(N)nc3c2C[C@@H](N)CC3)cc1C#N 71746238 XILIXGCDYXKREL-NSHDSACASA-N 306.373 1.712 30 50 DDEA CCNC(=O)[C@]12CCOC[C@H]1CN(c1ccc(C#N)c(C)n1)C2 685940371 HOSQWYSNUCBAAZ-PBHICJAKSA-N 314.389 1.241 30 50 DDEA N#Cc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 1601042 WKPXJLWHMPKRDX-BJMVGYQFSA-N 304.352 1.844 30 50 DDEA C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCN1c1ccc(F)cn1 1857670682 DPDPUYBTSLHONC-NSHDSACASA-N 313.336 1.771 30 50 DDEA COc1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2N)cc1 100629974 QZLWHGUGTLLEGL-RGEXLXHISA-N 309.329 1.782 30 50 DDEA C=CCN1CC[C@@]2(CCC1=O)CN(c1cccnn1)CCN2C 219584932 ANXTXNSMCHESED-KRWDZBQOSA-N 315.421 1.166 30 50 DDEA N#Cc1cccc(NC(=O)N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)c1 864094199 JMTNVFOCKRYSDA-GFCCVEGCSA-N 324.344 1.774 30 50 DDEA C#CCCC1(CCNC(=O)[C@@H]2CC[C@H]3CC(=O)N[C@@H]3C2)N=N1 1875382007 NHFUTIIVTNUFJJ-YNEHKIRRSA-N 302.378 1.373 30 50 DDEA C#CC[C@@H](CCOC)NC(=O)c1ccc(N(C)C(=O)C=C)cc1 1875374063 ZGWUFNFDVLILNV-HNNXBMFYSA-N 314.385 1.994 30 50 DDEA CC(=O)N1C[C@@H](Nc2nccnc2C#N)CC[C@H]1C(F)(F)F 886056823 GMRZOOBDXXYZDY-ONGXEEELSA-N 313.283 1.702 30 50 DDEA CCN(CC)CCS(=O)(=O)N(C)Cc1cccc(C#N)c1 225833940 CSOSQWLOESPTIO-UHFFFAOYSA-N 309.435 1.662 30 50 DDEA Cc1c([C@H]2[C@H](Nc3cccc(C#N)n3)CC(=O)N2C)cnn1C 328611915 NDEZCGLJTWIOPH-CJNGLKHVSA-N 310.361 1.379 30 50 DDEA N#Cc1cccc(CS(=O)(=O)N(CC(=O)O)C2CCC2)c1 593945696 ONSHWRWYOHWECA-UHFFFAOYSA-N 308.359 1.327 30 50 DDEA C#CCCC1(CCC(=O)N(C)CCN2CCOC(C)(C)C2)N=N1 2325892642 VIHOHBWXLSIIOP-UHFFFAOYSA-N 320.437 1.911 30 50 DDEA C=CCC(=O)NC[C@H]1CCN(Cc2cccc3nonc23)C1 67790588 DMQLVSCQJJWEIO-GFCCVEGCSA-N 300.362 1.737 30 50 DDEA N#Cc1ccnc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c1 283023935 JZYZILWJEHQBEI-ZDUSSCGKSA-N 308.345 1.142 30 50 DDEA NC(=O)C1=NO[C@H](C/N=C(/O)[C@H]2CCCN2c2ccccc2)C1 328587154 ZFWQDZFVACYGLF-GXTWGEPZSA-N 316.361 1.242 30 50 DDEA C=CCN1CCC[C@@H]1CNC(=O)c1cc2[nH]nnc2cc1OC 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304.262 1.138 30 50 DDEA C#CCCC1(CCC(=O)NCCNc2cc(C)nn2C)N=N1 2325892716 YUAQJJHOGKNODX-UHFFFAOYSA-N 302.382 1.612 30 50 DDEA C#CCCC1(CCNC(=O)CCc2cccnc2C(=O)O)N=N1 2325900973 PGHPRVZXAHEHBG-UHFFFAOYSA-N 314.345 1.794 30 50 DDEA N#Cc1ccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)cn1 115379335 BUCULGRSAIPCLG-MRXNPFEDSA-N 314.389 1.280 30 50 DDEA Cc1nc(N2CCNCC2)ccc1B1OC(C)(C)C(C)(C)O1 170006628 RAHLNHGEWQXUTL-UHFFFAOYSA-N 303.215 1.099 30 50 DDEA CCN1CCO[C@@H](CCNC(=O)Nc2cccc(C#N)c2)C1 67974717 SGJFTDUEZZCZQJ-HNNXBMFYSA-N 302.378 1.791 30 50 DDEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)Nc2ccnn2C)cn1 328617212 CMEUWNDZNRJVJE-GXTWGEPZSA-N 318.381 1.883 30 50 DDEA C#CC[C@H](CO)NC(=O)NC[C@H](c1cccs1)N1CCCC1 864095377 IEVZMEZHWIFGIR-ZIAGYGMSSA-N 321.446 1.568 30 50 DDEA N#Cc1cc2n(n1)CCCN(Cc1noc([C@@H]3CCCO3)n1)C2 670443569 FXYRFLOVNVDTEO-ZDUSSCGKSA-N 314.349 1.395 30 50 DDEA C=CC/N=C(/NCc1nc(C2CC2)no1)N[C@@H]1C[C@H]2CC[C@H]1O2 225355157 BKXHBRJCSCNZAI-JHJVBQTASA-N 317.393 1.488 30 50 DDEA CNC(=O)c1ccn([C@H]2CCCN(c3ncccc3C#N)C2)n1 275780840 YOCNZMWBOXXWIT-ZDUSSCGKSA-N 310.361 1.351 30 50 DDEA N#CC1(C(=O)N[C@H](c2ccccc2)[C@H]2C[C@@H](O)C2)CCOCC1 219602768 NYEBQFAAOXPGOW-BZUAXINKSA-N 314.385 1.935 30 50 DDEA C#CCCC1(CCNC(=O)[C@H](c2cscn2)N(C)C)N=N1 2325887471 UYMMAXJBKHRCNY-LBPRGKRZSA-N 305.407 1.828 30 50 DDEA Cc1ccnc(N2CCC([C@@H]3CC[C@H](C(N)=O)O3)CC2)c1C#N 952890754 ZGZQKWCTJAYPRG-LSDHHAIUSA-N 314.389 1.511 30 50 DDEA N#CCCc1cn(C[C@]2(O)CCN(Cc3ccccc3)C2)nn1 603259670 NULNTZMBYIASFO-KRWDZBQOSA-N 311.389 1.371 30 50 DDEA CC(C)[C@@]1(O)CN(C(=O)c2ccc(C#CC(C)(C)O)o2)C[C@@H]1C 213379982 NFSUUJHJFHINRR-UGSOOPFHSA-N 319.401 1.881 30 50 DDEA N#Cc1cc(Br)cnc1N1C[C@H](F)C[C@@H]1CO 590698715 VXTJYLMSBLGUBK-NXEZZACHSA-N 300.131 1.625 30 50 DDEA CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 585126131 PRDBVHATDSTXCR-OAHLLOKOSA-N 309.373 1.643 30 50 DDEA C#Cc1cccnc1NC[C@H]1CCCN1c1cc(NC)ncn1 853275195 MOMDJSLPGHQJLR-CQSZACIVSA-N 308.389 1.976 30 50 DDEA C=CCn1nnnc1SCC(=O)Nc1cccc(C(C)=O)c1 8020389 UTCOXEWACPQZRP-UHFFFAOYSA-N 317.374 1.793 30 50 DDEA CN(C)c1nc(O)cc([C@@H]2CCN(c3cnccc3C#N)C2)n1 864312750 LFPNYDHQFAGIOT-GFCCVEGCSA-N 310.361 1.509 30 50 DDEA CC(C)(C)OC(=O)N1CCN[C@H](CNc2ncccc2C#N)C1 952883438 XHSTXGJUDKDUFP-CYBMUJFWSA-N 317.393 1.574 30 50 DDEA C=CCNC(=O)CNC(=O)NC[C@H]1C[C@@]12CCc1ccccc12 170592245 CXBOIPNEANIRPW-KDOFPFPSSA-N 313.401 1.492 30 50 DDEA CN(C)/C=C1\C(=O)N/C(=C/c2ccc(Br)cc2)C1=O 5045606 CGQPYCYXYUEXNH-MVOOLVRYSA-N 321.174 1.934 30 50 DDEA Cc1noc([C@H](NC(=O)c2ccc(C#N)[nH]2)C2CCOCC2)n1 328608608 ARQPCPHBBDYMNA-CYBMUJFWSA-N 315.333 1.476 30 50 DDEA O=S1(=O)CCC[C@H](/N=C(/O)N2C[C@H]3CCCC[C@H]3C2)C1 329403270 WQCFEZRDDDNOMH-XQQFMLRXSA-N 300.424 1.600 30 50 DDEA N#Cc1ccc(CS(=O)(=O)N(CC(=O)O)C2CCC2)cc1 593945242 PGKKXGMECCHVPX-UHFFFAOYSA-N 308.359 1.327 30 50 DDEA C#CCCC1(CCNC(=O)c2cc(-n3cccn3)ccn2)N=N1 2325886742 HHYZXNBKHAATDC-UHFFFAOYSA-N 308.345 1.963 30 50 DDEA CC(C)(C)NS(=O)(=O)C1(CN=c2cc[nH]cc2C#N)CC1 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30 50 DDEA COc1ccc(NC(=O)N2CCOC[C@@H](CO)C2)cc1C#N 95519442 JTNLVBKSJHYGPS-LLVKDONJSA-N 305.334 1.039 30 50 DDEA CO[C@@H]1C[C@H](CNc2ccc(C#N)nc2)N(c2ccncn2)C1 952887485 PVZKKYAQZZSIPO-HUUCEWRRSA-N 310.361 1.449 30 50 DDEA C=C[C@H](CCC)CC(=O)NS(=O)(=O)c1cnn(CCF)c1 1875307030 HVVCVDKKHXVMID-LLVKDONJSA-N 317.386 1.650 30 50 DDEA CC(C)(C)OC(=O)NCC[C@H](NC(=O)CC#N)C(F)(F)F 408520461 GOXATNWNIUBUIV-QMMMGPOBSA-N 309.288 1.862 30 50 DDEA N#Cc1cccc(NC(=O)NCCNC(=O)c2ccccc2N)c1 225394452 UEXIHSIQHQPJAQ-UHFFFAOYSA-N 323.356 1.692 30 50 DDEA CCC[C@H](C#N)NC(=O)C[C@@H](N1CCOCC1)C(F)(F)F 1875367461 DZHHCFBNQMNPOS-GHMZBOCLSA-N 307.316 1.448 30 50 DDEA CCOC(=O)c1cc2n(n1)CCN(C(=O)OC(C)(C)C)[C@@H]2C#N 306144633 ZKMNLFXGVMHOPE-GFCCVEGCSA-N 320.349 1.875 30 50 DDEA CN(C[C@@H]1CCn2ccnc2C1)/C(O)=N/CC[C@@H]1CCCO1 328626705 LZFJXDIUSNCABZ-KGLIPLIRSA-N 306.410 1.860 30 50 DDEA N#Cc1ccc(-c2nnc(CN3CC[C@@](F)(CO)C3)o2)cc1 367263081 BILHOBISWGKRBB-HNNXBMFYSA-N 302.309 1.515 30 50 DDEA CCN(CCC#N)C(=O)CN1CCOC[C@@H]1c1c(C)n[nH]c1C 374306143 CCXLUAVQVGKNSK-CQSZACIVSA-N 319.409 1.162 30 50 DDEA O=C(C#CC1CC1)N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 818499189 MGUSAWVXECJBIL-KRWDZBQOSA-N 315.373 1.256 30 50 DDEA N#CC1(NC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)CCC1 253425951 VIZOJTAJUWKUJS-NSHDSACASA-N 319.311 1.880 30 50 DDEA O=S(=O)([C@@H]1CCOC1)N1CCC[C@H](/C(O)=N/CC2CC2)C1 329586813 WYTVSNDYKLPIJW-QWHCGFSZSA-N 316.423 1.184 30 50 DDEA CN(C)c1cc(C#N)cc(C(=O)N2CCC(CC(N)=O)CC2)c1 292807771 ZCMFREJAPDTQKJ-UHFFFAOYSA-N 314.389 1.352 30 50 DDEA CC(=O)N1CCN(Cc2ccc(C#Cc3cn[nH]c3)cc2)CC1 952995082 CNIJZZKYCWISMM-UHFFFAOYSA-N 308.385 1.474 30 50 DDEA N#Cc1cc(NC(=O)N2CC[C@H](Cc3nn[nH]n3)C2)ccc1F 1875273060 CRGBLDUUSSHOBP-SECBINFHSA-N 315.312 1.307 30 50 DDEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 275401528 AXBXSPVGJMVHBG-WFASDCNBSA-N 313.361 1.497 30 50 DDEA CN(Cc1cccnc1)C[C@@H]1CCN(c2cnc(C#N)cn2)C1 190446435 GGMMRXDKRUVPOQ-HNNXBMFYSA-N 308.389 1.702 30 50 DDEA C=C(C)C[C@H](C)C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 585126258 UJANYOJRAIOLSA-HNNXBMFYSA-N 322.453 1.100 30 50 DDEA C=CCn1c(O)nnc1SC[C@H]1COC2(CCOCC2)O1 1616034798 NVNCJJZAJXJJFD-SNVBAGLBSA-N 313.379 1.184 30 50 DDEA CN(C)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1 12502280 MXWDSZWTBOCWBK-UHFFFAOYSA-N 307.394 1.938 30 50 DDEA in-vivo CCOCC/N=C(/O)N1CC[C@@H](n2ccc(N=C(C)O)n2)C1 328620898 HJROQQHBCUJMOF-GFCCVEGCSA-N 309.370 1.688 30 50 DDEA COc1ccc(C#N)cc1CN1C[C@H](OC)C[C@H]1c1nc[nH]n1 344654614 JOZWMMQVQIWYKO-KGLIPLIRSA-N 313.361 1.647 30 50 DDEA CC(=O)N(C[C@@H]1CCCN1/C(O)=N/C[C@H]1CCOC1)C1CC1 328644640 RXRXBFYJWKVBHZ-HIFRSBDPSA-N 309.410 1.412 30 50 DDEA C[C@H](Cn1ncc2ccccc21)C(=O)N=c1cc[nH]cc1C#N 340741681 SWKAUEJWVCQECA-GFCCVEGCSA-N 305.341 2.000 30 50 DDEA N#Cc1ccc(N2CC[C@H](C(=O)NCc3cnc[nH]3)C2)c(F)c1 341938112 SUHRFLVTCFPHKQ-LBPRGKRZSA-N 313.336 1.563 30 50 DDEA C=CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1COCCO1 888101094 ZRHFAMDKKSVHAY-KGLIPLIRSA-N 322.409 1.557 30 50 DDEA N#Cc1ccc(F)c(CNC(=O)NCc2nc(C3CC3)no2)c1 195531328 MZTFRRPHKKSMEU-UHFFFAOYSA-N 315.308 1.957 30 50 DDEA CC#CC(=O)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 14948688 LLLSAZSKTLPHTK-AWEZNQCLSA-N 304.777 1.623 30 50 DDEA N#Cc1cc(C[C@H]2CCN(C(=O)[C@H]3C[C@H](N)C3)C2)ccc1F 2325792409 ZDEPRZDYLAEQKN-UMVBOHGHSA-N 301.365 1.826 30 50 DDEA C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(N)=O 2879536 CGPRSLMIVQNTKA-UHFFFAOYSA-N 318.402 1.641 30 50 DDEA COc1cccc(N2C[C@@H](NCc3cc(C#N)n(C)c3)CC2=O)c1 365166088 WQDXQBXGWOVXHD-AWEZNQCLSA-N 324.384 1.800 30 50 DDEA C=CCO[C@@H]1[C@H](OC)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1O 255977351 HSOXWCQWDJWNDH-IFTGGNMHSA-N 322.357 1.404 30 50 DDEA CC[C@@H](C)NC(=O)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 584887044 SNUFSNKMBGVENL-LLVKDONJSA-N 302.378 1.653 30 50 DDEA C#CCCC1(CCC(=O)N(CCC(=O)O)C2CCOCC2)N=N1 952876323 MKSQNTZYNHLABV-UHFFFAOYSA-N 321.377 1.824 30 50 DDEA CCN(CC)CCN/C(O)=N/S(=O)(=O)c1ccc(C)cc1 19680766 XISISUAANFZEMP-UHFFFAOYSA-N 313.423 1.529 30 50 DDEA CCC[C@]1(CO)CCN(C(=O)c2ccc(C#N)cc2)C[C@H]1O 1857717707 UPYHAEVCOFACNN-NVXWUHKLSA-N 302.374 1.544 30 50 DDEA C=CCOc1ccc(C(=O)N2CCC[C@](O)(CO)C2)cc1OC 457915432 NRAACNDUVMEZNH-QGZVFWFLSA-N 321.373 1.219 30 50 DDEA N#C[C@@H]1CCCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 2325788274 WJWHGMHTYCYFFQ-AWEZNQCLSA-N 316.386 1.939 30 50 DDEA CC(=O)N1CCC(/N=C(/O)N2CCC[C@@H](OCC3CC3)C2)CC1 330215732 MRMJGCASICYWNE-MRXNPFEDSA-N 323.437 1.802 30 50 DDEA Cc1noc([C@H]2CCN(/C(O)=N/Cc3snnc3C)C2)n1 330260725 OOPKBHVBVJERBV-VIFPVBQESA-N 308.367 1.441 30 50 DDEA CC(=O)N[C@@H]1Cc2ccccc2N(Cc2cc(C#N)n(C)c2)C1 364471952 JPLARMCHBLDTJX-MRXNPFEDSA-N 308.385 1.964 30 50 DDEA C[C@@]1(C(=O)O)CCN(S(=O)(=O)c2ccc(F)cc2C#N)C1 262495425 YCAINZRLEBGZKW-CYBMUJFWSA-N 312.322 1.183 30 50 DDEA CN1CCN(Cc2ccc(-c3ccccc3C#N)o2)C[C@H]1CO 225325287 LSCJZXUIMMTNII-HNNXBMFYSA-N 311.385 1.927 30 50 DDEA CCOc1ccc(NC(=O)NCCN2CCNC2=O)cc1C#N 96165416 XRNJJPOZPFCHQT-UHFFFAOYSA-N 317.349 1.104 30 50 DDEA CCC#CCN1CCC(CNC(=O)c2c(Cl)cnn2C)CC1 822523073 VSIMMNVVPPMDKZ-UHFFFAOYSA-N 322.840 1.929 30 50 DDEA C#CCN(C)[S@](C)(=O)=NC(=O)Cc1c[nH]c2ccc(F)cc12 1776005849 JTAGWMCQQHUHLG-JOCHJYFZSA-N 321.377 1.954 30 50 DDEA Cn1nc(C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 675072772 HLZYUVQYLCGWFT-UHFFFAOYSA-N 308.187 1.675 30 50 DDEA Cc1ccccc1OC[C@H](O)C(=O)N1CCC(C)(C#N)CC1 215714385 WMNKUTVTHLUNRU-AWEZNQCLSA-N 302.374 1.887 30 50 DDEA N#Cc1cc(N2CCC[C@@H](CCC(N)=O)C2)cc(N)c1[N+](=O)[O-] 342112648 OFHKIWDYCARRBH-JTQLQIEISA-N 317.349 1.531 30 50 DDEA CCOC(=O)c1sc(Nc2ncc(C#N)c(O)n2)nc1C 253537506 IWGPHORUWKICHB-UHFFFAOYSA-N 305.319 1.739 30 50 DDEA N#Cc1c[nH]c(C(=O)N2CCCO[C@H](CN3CCCCC3)C2)c1 670467157 YHNDDWWNQJTTOC-OAHLLOKOSA-N 316.405 1.603 30 50 DDEA O=C([C@H]1CO1)N1CCc2cc(OCC(F)(F)F)ccc2C1 1875372735 LUZWOZVGIZTINW-GFCCVEGCSA-N 301.264 1.911 30 50 DDEA N#Cc1sccc1S(=O)(=O)N1CCOCC(F)(F)C1 585090501 VZWUTHHAKZIUDP-UHFFFAOYSA-N 308.331 1.276 30 50 DDEA C=CS(=O)(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 200921191 MNIUHTVKOGBXNU-UHFFFAOYSA-N 309.196 1.871 30 50 DDEA CC(C)(O)C#Cc1ccc(C(=O)N[C@H]2CN3CCC2CC3)cc1 65406314 BPULHEPJPMSKHG-KRWDZBQOSA-N 312.413 1.633 30 50 DDEA C#CCCC1(CCC(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)N=N1 952876397 PGYOKDDJTHTPBZ-CHWSQXEVSA-N 305.378 1.747 30 50 DDEA C=CCn1cc(C(=O)N2Cc3ncccc3N3CCC[C@H]3C2)nn1 890627774 NZKVMMJKHLWTTH-ZDUSSCGKSA-N 324.388 1.484 30 50 DDEA C=CCCCS(=O)(=O)Nc1n[nH]c(C(=O)OC)c1Cl 1775985283 IAPZQQJEFAZFIV-UHFFFAOYSA-N 307.759 1.558 30 50 DDEA CC1(C)OB(c2ccc(CN3CCOCC3)cc2F)OC1(C)C 169746538 DWJRSQOUYHDWKV-UHFFFAOYSA-N 321.201 1.957 30 50 DDEA in-vitro C=C(CN1CCC(CC(=O)N2CCN(CC)CC2)CC1)OC 170607423 POYMIVGPNVFCQQ-UHFFFAOYSA-N 309.454 1.413 30 50 DDEA C[C@H]1CCCC[C@H]1CC(=O)NS(=O)(=O)c1cncc(C#N)c1 408489428 SKGXVKIDWOKDAX-AAEUAGOBSA-N 321.402 1.975 30 50 DDEA COc1cc(/C=N/n2nnnc2N)ccc1OCCC(C)C 317493 CDHYUPCTOHDYGH-CXUHLZMHSA-N 304.354 1.571 30 50 DDEA COCCC1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 858661390 YMCVBNQQQOLVMI-UHFFFAOYSA-N 323.418 1.459 30 50 DDEA C#CCCC1(CCNC(=O)c2ncoc2-c2cnn(C)c2)N=N1 2325887315 FYVZIMGUDLRRDI-UHFFFAOYSA-N 312.333 1.771 30 50 DDEA Cc1cc2nc(C(=O)O)cn2cc1B1OC(C)(C)C(C)(C)O1 170004546 BIRGQIRNDBTSKG-UHFFFAOYSA-N 302.139 1.640 30 50 DDEA C=CCN(Cc1ccccc1OC)C(=O)Cn1cccnc1=O 55109133 ZKSCWKOLZXAKMQ-UHFFFAOYSA-N 313.357 1.467 30 50 DDEA Cc1ccc([C@H](C)/N=C(/O)N2CCO[C@@H](c3nncn3C)C2)o1 328626959 MGXKJAWLUOMCPO-WCQYABFASA-N 319.365 1.765 30 50 DDEA CS(=O)(=O)N1CC[C@H](C/N=C(/O)c2conc2C2CC2)C1 329604033 YSQDWZGXHFBRMV-SECBINFHSA-N 313.379 1.138 30 50 DDEA C=C(Br)CN1CCN(CC(F)(F)F)C(=O)C1 253417394 XNMUOOQZJQGCCQ-UHFFFAOYSA-N 301.106 1.602 30 50 DDEA CCOC(=O)c1ccc(N2CC(Nc3nccnc3C#N)C2)nc1 253426493 IZGUETVLUVSNPG-UHFFFAOYSA-N 324.344 1.221 30 50 DDEA CCS(=O)(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 228893605 DUTYIPIWIRMLMD-UHFFFAOYSA-N 303.233 1.894 30 50 DDEA COCC[C@]1(C(=O)O)CCCN(C(=O)c2ccccc2C#N)C1 91690325 XKLJQTQZLJJTBL-QGZVFWFLSA-N 316.357 1.902 30 50 DDEA N#Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO 343475364 DTZHOOMIYHGWMU-QWRGUYRKSA-N 318.757 1.305 30 50 DDEA CN(C)C(=O)[C@H]1CC[C@@H](/C(O)=N/[C@H]2CCC(O)=NC23CCC3)O1 329294464 SAUHNFPOWKFXAQ-TUAOUCFPSA-N 323.393 1.620 30 50 DDEA N#Cc1ccc(C(=O)NCC(=O)N[C@@H](C#N)C2CCCCC2)cc1 164263930 IKNUFMPWWUWOEX-INIZCTEOSA-N 324.384 1.877 30 50 DDEA C=CCc1cc(C(=O)N[C@@H]2CCC(=O)N(C)C2)ccc1OC 584891093 NQZIIMHHNFYQMU-CQSZACIVSA-N 302.374 1.774 30 50 DDEA Cc1cc(N2CC(OCCO)C2)n2c(nc3ccccc32)c1C#N 952883129 RARRKKFRPGOJNY-UHFFFAOYSA-N 322.368 1.865 30 50 DDEA CC#CC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl 278882302 NYXJDIIMFHDGDA-SECBINFHSA-N 302.157 1.873 30 50 DDEA CN(C)CCCCN(C)S(=O)(=O)c1ccsc1C#N 593559786 CBGZXVRZJKSGFL-UHFFFAOYSA-N 301.437 1.582 30 50 DDEA N/C(=N\OCc1ccc(Cl)c(Cl)c1)c1nonc1N 15856719 XTTPIUGTWLYEOX-UHFFFAOYSA-N 302.121 1.796 30 50 DDEA COc1ccc(OC)c(/N=C2\NC(=N)NC3(CCCC3)N2)c1 2488261 QJFRTGCPUWMXRD-UHFFFAOYSA-N 303.366 1.679 30 50 DDEA Cc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)N 227923588 MRRAPVYKQBAYBV-TZMCWYRMSA-N 307.419 1.757 30 50 DDEA Cc1[nH]ccc1/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 328646514 SPPPBWMXEXEHJI-KBPBESRZSA-N 319.384 1.974 30 50 DDEA O=C(C1CCC(/N=C(/O)C2CC2)CC1)N1CC(=O)N(C2CC2)C1 330075660 GKCLPLUMNGGVEZ-UHFFFAOYSA-N 319.405 1.702 30 50 DDEA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@H]2c1ccccc1 101992497 MJVVGYPTALETFP-WBIUFABUSA-N 313.353 1.942 30 50 DDEA Cn1cnc2cc(C(=O)O)cc(B3OC(C)(C)C(C)(C)O3)c21 170008453 XTMAIYXAVKUTEH-UHFFFAOYSA-N 302.139 1.571 30 50 DDEA CC(=O)Nc1cc(NC(=O)NCC#CCN(C)C)ccc1C 864060489 GNGYRPKALUDGRY-UHFFFAOYSA-N 302.378 1.640 30 50 DDEA N#C[C@H]1CN(C(=O)Cc2c[nH]c3ncccc23)CCN1C1CC1 370371998 RMSFLGFUPMYCAB-AWEZNQCLSA-N 309.373 1.304 30 50 DDEA N#Cc1ccc(C(=O)NCCCNC(=O)c2cccc(O)c2)[nH]1 134135589 SQMWPMSETRZPIN-UHFFFAOYSA-N 312.329 1.142 30 50 DDEA N#Cc1cccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 220116726 XUPXCMQDEZQPKA-KRWDZBQOSA-N 313.401 1.931 30 50 DDEA N#Cc1cccc(C(=O)N2CCN(c3ccncc3)C[C@H](O)C2)c1 97619334 TYTLSPIEAQMTNN-KRWDZBQOSA-N 322.368 1.277 30 50 DDEA C=CCc1cc(C(=O)N[C@H]2CCC(=O)N(C)C2)ccc1OC 584891092 NQZIIMHHNFYQMU-AWEZNQCLSA-N 302.374 1.774 30 50 DDEA CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)c1ncc(C#N)cc1F 952890464 UWZFKSRKEXKCAE-ZYHUDNBSSA-N 302.313 1.219 30 50 DDEA C#CCCC1(CCNC(=O)[C@H](c2cncn2C)N(C)C)N=N1 1875381175 MJPSZTFRAHGPOE-ZDUSSCGKSA-N 302.382 1.105 30 50 DDEA CC(C)(C#N)c1cccc(NC(=O)Cn2ccc(O)nc2=O)c1 1875335503 PSDYQRFLVBFWRG-UHFFFAOYSA-N 312.329 1.389 30 50 DDEA Cc1noc(C[C@@]2(O)CCCN(c3ccc(C#N)c(C)n3)C2)n1 886027428 YECGUVJTCQQPKC-INIZCTEOSA-N 313.361 1.527 30 50 DDEA Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)N)c1C#N 272416903 AUDGKXRXUPDLSM-GXTWGEPZSA-N 307.419 1.757 30 50 DDEA C[C@H]1OCCC[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 191582862 RUCOQGUJIZXTPS-HIFRSBDPSA-N 314.389 1.417 30 50 DDEA C=CCO[C@@H]1[C@H](O)[C@H](OC)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]21 255963085 ASPVDBYGHHICFR-RNGXCGTMSA-N 322.357 1.404 30 50 DDEA in-vitro Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@H]2CCN(C)[C@H]2C1 590762545 GSIKCEFWJZPPCI-KGLIPLIRSA-N 305.403 1.191 30 50 DDEA CN(C)[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@@H]1n1ccnn1 858757858 WIXKRFBVUJCJHG-OLZOCXBDSA-N 317.784 1.190 30 50 DDEA C=CCOC(=O)NC[C@H](NC(=O)OCc1ccccc1)C(=O)O 66325951 QVBKKBXBABTQKZ-LBPRGKRZSA-N 322.317 1.278 30 50 DDEA Cn1nccc1CN1C[C@@H](F)C[C@H]1CNCc1ccc(C#N)o1 328647229 TVKDBCOLIOESCJ-JSGCOSHPSA-N 317.368 1.587 30 50 DDEA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc(O)cc1O)[C@@H]1C[C@@H]31 252428647 SARFGFVEVQWMID-XGAQNMSBSA-N 324.336 1.485 30 50 DDEA CC(C)C(=O)N1CCn2nc(CNc3cccc(C#N)n3)cc2C1 299783460 ZMAAIVKSGLEEFG-UHFFFAOYSA-N 324.388 1.760 30 50 DDEA C#CCN(CC#N)CC(=O)Nc1ccc(Br)cc1 408515757 HMHFYIDFSWTQLC-UHFFFAOYSA-N 306.163 1.846 30 50 DDEA CC(C)(CC#N)CS(=O)(=O)N1CC2(CCC2)[C@H]2COC[C@H]21 575603797 NHOLXJVAHGGMDB-QWHCGFSZSA-N 312.435 1.757 30 50 DDEA CCn1ncc(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 839048458 DMNKHOMZRBKXLA-MRXNPFEDSA-N 324.388 1.060 30 50 DDEA COc1ccc(-c2nc3n(c(=O)c2C#N)CCS3)c(OC)c1 5246023 FVZBRAXUNKYZPJ-UHFFFAOYSA-N 315.354 1.905 30 50 DDEA O/C(=N/CCc1nnc2n1CCCCC2)NC[C@@H]1CCSC1 328587717 GCYWTLWCQSEEFR-LBPRGKRZSA-N 323.466 1.804 30 50 DDEA CC(C)N1CCC[C@H](C/N=C(/O)[C@H]2CCc3nn[nH]c3C2)C1 328796532 UWUXJCBXZDMRHI-OLZOCXBDSA-N 305.426 1.987 30 50 DDEA N#Cc1ccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)o1 434538672 SUOXSZTVJNTKNG-LBPRGKRZSA-N 308.345 1.880 30 50 DDEA N#Cc1cc(F)ccc1N1CCN([C@H]2CCNC(=O)CC2)CC1 450892179 MVEKSVCQUMDRSC-OAHLLOKOSA-N 316.380 1.488 30 50 DDEA Cc1nnnn1Cc1ccc(C(=O)N2CCC[C@@H](C#N)C2)cc1 426380721 UAZXSLQYYBGAFI-AWEZNQCLSA-N 310.361 1.406 30 50 DDEA C#CCOCCOCCOCCP(=O)(OCC)OCC 725239554 WNCMRBALVMVXLA-UHFFFAOYSA-N 308.311 1.936 30 50 DDEA CCCCCCCC(=O)N(C)Cc1nnc2c(=O)n(C)ccn12 952881975 IGPBFDRSMCKPHT-UHFFFAOYSA-N 319.409 1.747 30 50 DDEA COC(=O)C[C@@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 195529520 JQPJMUAMXIJTFP-BBRMVZONSA-N 307.394 1.212 30 50 DDEA CC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 201295344 XPOIROACSGYAMT-UHFFFAOYSA-N 319.214 1.366 30 50 DDEA N/C(=N\OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccncc1 13153234 JBEZWUVZLJXVKU-UHFFFAOYSA-N 316.273 1.232 30 50 DDEA c1ccc2sc(N=C3NCN(C[C@H]4CCCO4)CN3)nc2c1 19324940 KGWMFFXIVJGWDT-LLVKDONJSA-N 317.418 1.873 30 50 DDEA C#CCCC1(CCC(=O)N[C@H](C(=O)O)c2cscn2)N=N1 2325900949 OQBXPYYXNMWFIA-NSHDSACASA-N 306.347 1.741 30 50 DDEA C=CCn1c(S[C@@H](C)C(=O)NC)nnc1C1CCNCC1 426661925 BRHXJRITEXDGEJ-JTQLQIEISA-N 309.439 1.158 30 50 DDEA O=[S@+]1(O)C[C@H]2NC(=S)N(Cc3ccc(Cl)cc3)[C@H]2C1 334158082 NIIXZLNVWFPFEL-MNOVXSKESA-P 317.843 1.753 30 50 DDEA Cc1cc(C#N)nc(NC[C@@H]2CCCO[C@H]2c2ccnn2C)n1 596504471 HBEGHBWATQTMKR-SWLSCSKDSA-N 312.377 1.970 30 50 DDEA C#C[C@@H](COC)NC(=O)Cc1nnc(-c2ccccc2OC)o1 585117892 ZZXCBOHOVLSNSB-NSHDSACASA-N 315.329 1.052 30 50 DDEA Cc1cc(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n[nH]1 154912976 UWFGGEKJHVSOEQ-QGZVFWFLSA-N 323.400 1.497 30 50 DDEA C#CCCC1(CCC(=O)NC2(c3ccc(F)cn3)CNC2)N=N1 2325900991 PNYZUZZAOBQTBK-UHFFFAOYSA-N 315.352 1.491 30 50 DDEA COc1ccc(CNS(=O)(=O)CC2(C#N)CC2)c(C)c1OC 921927291 KEPBENGQEWVGNU-UHFFFAOYSA-N 324.402 1.735 30 50 DDEA CC1(C)OB(c2cccc(N3CCOCC3)c2C=O)OC1(C)C 170007708 BUMPROFBFFJXDA-UHFFFAOYSA-N 317.194 1.635 30 50 DDEA COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC(C)=O 169746363 ZUWNUDWHBMLHSH-UHFFFAOYSA-N 320.150 1.698 30 50 DDEA Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C#N)n1 309374 ORPAOFUGZREFQY-UHFFFAOYSA-N 300.343 1.681 30 50 DDEA Cc1c([C@H]2OCC[C@@H]2/N=C(/O)Nc2ccnn2C)cnn1C 328625275 KOTUYEIILZYUAZ-WCQYABFASA-N 304.354 1.318 30 50 DDEA C[C@H]1NC(=O)N(CC2CCN(c3ccccc3C#N)CC2)C1=O 378520190 WCJQWKWBGAXKMX-GFCCVEGCSA-N 312.373 1.715 30 50 DDEA O=[S@@+]1(O)C[C@@H]2[C@H](C1)NC(=S)N2CCc1ccc(F)cc1 334158022 IFJNLXACGOTQBO-NWDGAFQWSA-P 315.415 1.282 30 50 DDEA Cc1nc(N2CCO[C@H](C(=O)N(C)C)C2)c(C#N)c(C)c1C 670457661 WPNJUQCEJFMVBD-AWEZNQCLSA-N 302.378 1.172 30 50 DDEA C#CCCC1(CCC(=O)N2CC[C@@H](Cn3ccnn3)C2)N=N1 952880344 FQYUEVUBBSBWBX-CYBMUJFWSA-N 300.366 1.482 30 50 DDEA CN1C(=O)C[C@@H](CNCc2cc(C#N)n(C)c2)[C@@H]1c1ccncc1 886034101 OQKGADBBFDTGBX-YJBOKZPZSA-N 323.400 1.601 30 50 DDEA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)C(C)(C)C#N)C1 190602621 NEVDREIYRBPSEP-HNNXBMFYSA-N 300.406 1.912 30 50 DDEA C#CCCC1(CCC(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@@H]32)N=N1 1616032971 YDIANRZLSHYQEQ-ZDEQEGDKSA-N 303.362 1.958 30 50 DDEA C#CCCC1(CCC(=O)N2CCN[C@@H](c3ccncc3)C2)N=N1 2325892685 WTDHXLYLSDOKCI-OAHLLOKOSA-N 311.389 1.910 30 50 DDEA N/C(=N\S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 4990811 DNSXICDTIWAMCF-UHFFFAOYSA-N 305.315 1.689 30 50 DDEA CN(Cc1ncccn1)[C@@H]1CCN(/C(O)=N/Cc2ccoc2)C1 328637495 OQQVGQNZTFVFKU-CQSZACIVSA-N 315.377 1.690 30 50 DDEA COc1cc(N/C(O)=N/[C@H]2CCO[C@@H]2c2cnn(C)c2)ncn1 328630072 PMISZAPSIDTDES-GXFFZTMASA-N 318.337 1.075 30 50 DDEA C=CCN1CCC[C@H]1CNC(=O)c1cc2[nH]nnc2cc1OC 2001364 KSEYRUGYKHXGFW-NSHDSACASA-N 315.377 1.347 30 50 DDEA biogenic,world CCCNC(=O)C1CCN(/C(O)=N/[C@H](C)c2cn[nH]c2)CC1 330479232 YUBQPMZXJFKEGF-LLVKDONJSA-N 307.398 1.623 30 50 DDEA CO[C@H]1C[C@@H](C(N)=O)N(c2ccc(C#N)cc2Br)C1 284689465 XWCFXCZTAIZOTA-CABZTGNLSA-N 324.178 1.400 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@H](n3ccnn3)C2)N=N1 952882032 RBGJSVTUJMNDEY-ZDUSSCGKSA-N 300.366 1.797 30 50 DDEA N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccncc3)C2=O)cc1 192130486 OLFLWOASIUNSPE-INIZCTEOSA-N 320.352 1.484 30 50 DDEA COCCN(CCC#N)S(=O)(=O)NC1(C)C(C)(C)C1(C)C 908446164 MBAIETMITGIQQY-UHFFFAOYSA-N 317.455 1.508 30 50 DDEA Cc1ncc(/C(O)=N/C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)[nH]1 328625145 CUIHUYMKSRYBEF-AAEUAGOBSA-N 320.372 1.369 30 50 DDEA CN(Cc1nccc(N)n1)[C@H]1CCCN(/C(O)=N/C2CC2)CC1 328621434 ALISYCJBEKFZPJ-ZDUSSCGKSA-N 318.425 1.422 30 50 DDEA C[C@@H](Cn1ncc2ccccc21)C(=O)N=c1cc[nH]cc1C#N 340741690 SWKAUEJWVCQECA-LBPRGKRZSA-N 305.341 2.000 30 50 DDEA C#CC1(O)CCN(C(=O)NCCOc2cccc(Cl)c2)CC1 952878575 GTPUHVARBYAMSX-UHFFFAOYSA-N 322.792 1.889 30 50 DDEA CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C[C@H](C#N)CCC#N 275534032 DAHOKQXROISVEJ-KKUMJFAQSA-N 316.384 1.769 30 50 DDEA C#C[C@@H](NC(=O)CCc1cnn(-c2ccccc2)c1)[C@H]1CCOC1 170600947 GEWWFUDNVOVBAE-FUHWJXTLSA-N 323.396 1.959 30 50 DDEA Cc1c(/C=N/n2cnnc2)c(=O)n2c([nH]c3ccccc32)c1C#N 18208394 DBPVMJZYQSNLCI-IFRROFPPSA-N 317.312 1.435 30 50 DDEA N#CCC(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 408522312 HLELBIUEAKZCAU-JTQLQIEISA-N 310.151 1.737 30 50 DDEA Cc1c([C@H]2OCC[C@@H]2NC(=O)c2ccc(C#N)cn2)cnn1C 328610618 IQEHVBYQJXDIAC-DZGCQCFKSA-N 311.345 1.255 30 50 DDEA Cn1cc(CC(=O)NC2CCN(/C(O)=N/C(C)(C)C)CC2)cn1 330672703 GPDBROHQPUBCSV-UHFFFAOYSA-N 321.425 1.256 30 50 DDEA COCCC1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCCC1 366181950 IYYPLYRCNATZNE-HNNXBMFYSA-N 305.422 1.782 30 50 DDEA CCOc1ccc(N=C2NC(=O)C(=CC(=O)OC)S2)cc1 2049286396 QOIXWKKWHNDLIW-UHFFFAOYSA-N 306.343 1.993 30 50 DDEA C[C@H]1OCCC[C@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 283729377 FGVACSPVJKAIAI-CZUORRHYSA-N 314.389 1.417 30 50 DDEA C=CCn1c(CN)nnc1SCCC(=O)NC1CCCC1 426361172 LUXZTLQZPREHFI-UHFFFAOYSA-N 309.439 1.464 30 50 DDEA COc1cc(C(=O)On2ccccc2=O)cc(OC)c1OC 43214890 YLDDPWXDWNBQJP-UHFFFAOYSA-N 305.286 1.143 30 50 DDEA CN(CCCO)C1CCN(C(=O)c2cccc(C#N)c2)CC1 270342963 CPQQMECSBQZJHR-UHFFFAOYSA-N 301.390 1.477 30 50 DDEA C=CCOc1ccccc1CNC(=O)N[C@@H]1CCS(=O)(=O)C1 111787242 RPCZZAHKHMFQDB-CYBMUJFWSA-N 324.402 1.238 30 50 DDEA C=C1CCN(c2cccc(S(=O)(=O)N[C@@H](C)CC#N)n2)CC1 1615044663 GQGVYQNKCAVPQK-ZDUSSCGKSA-N 320.418 1.818 30 50 DDEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1N(C)C 169747692 SEGDLDZKBHFGJG-UHFFFAOYSA-N 306.171 1.233 30 50 DDEA CCCCS(=O)(=O)N1CC[C@H](n2ccc(N=C(C)O)n2)C1 328609495 DMNAQLRPCQDOOS-LBPRGKRZSA-N 314.411 1.868 30 50 DDEA Cc1ccc(C#N)c(Sc2nnnn2C[C@@H]2CCCO2)n1 2325789462 RHOIJIPSFFULAV-NSHDSACASA-N 302.363 1.578 30 50 DDEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2[nH]nnc2c1 170008411 OUXAQJBVQKMUJP-UHFFFAOYSA-N 303.127 1.044 30 50 DDEA CC(C)(C)/N=C(/O)N1CCC(NC(=O)Cc2ccon2)CC1 330678567 MGEFZTVHIVNVKY-UHFFFAOYSA-N 308.382 1.510 30 50 DDEA OC(=Nc1cccc(-n2cnnc2O)c1)[C@H]1C[C@]12CCOC2 330028062 NWYPUYMLORUOKT-DOMZBBRYSA-N 300.318 1.988 30 50 DDEA N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nc1 333767697 QSLUDCCNZMTUOK-TUVASFSCSA-N 313.357 1.500 30 50 DDEA CC(=O)c1ccc(N2C(=S)N[C@@H]3C[S@@+](=O)(O)C[C@H]32)cc1 334158280 CNQAWZGHLBQFPH-VXGBXAGGSA-P 311.408 1.307 30 50 DDEA C=C(C)C(C)(C)C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 424837825 OFWCTCJGGFMVFF-LBPRGKRZSA-N 302.440 1.471 30 50 DDEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2cc(C)nc(C)n2)C1 328610349 HIMKSJFKLITUAX-OAHLLOKOSA-N 316.365 1.867 30 50 DDEA CO[C@@]1(C)CCCN(/C(O)=N/CCC2(O)CCOCC2)C1 329357934 HLARMWFFPVEBIW-AWEZNQCLSA-N 300.399 1.333 30 50 DDEA C#CCSc1ncc(S(=O)(=O)c2ccccc2)c(O)n1 13394760 MWPBAVZRZBVJHV-UHFFFAOYSA-N 306.368 1.740 30 50 DDEA N#Cc1ccc(NCC(=O)N2CCN(c3ccccc3)CC2)nc1 299354483 QINIJCJTFJFAOX-UHFFFAOYSA-N 321.384 1.714 30 50 DDEA CN(C)C(=O)[C@H]1CCCN1Cc1ccc(C#CC(C)(C)O)s1 827748235 FAMMDCZKVAPELC-OAHLLOKOSA-N 320.458 1.923 30 50 DDEA Cc1cccc(N2C[C@@H](Nc3ncc(C#N)c(N)n3)CC2=O)c1 826799217 PKTLPUYILCMAKG-LBPRGKRZSA-N 308.345 1.456 30 50 DDEA N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC(F)F)C2=O)cc1 170090623 IDZLHXSYEQIPJP-GFCCVEGCSA-N 322.315 1.223 30 50 DDEA COc1cc(/C(O)=N/[C@@H]2CCCN(c3nccnc3O)C2)on1 328656042 ZAHPUMNFPRBGEP-SECBINFHSA-N 319.321 1.152 30 50 DDEA CCOC(=O)[C@H](C#N)[C@](C#N)(C(=O)OCC)[C@H]1CCCCC1=O 248290136 KQCUCXKRRZHPAB-MQIPJXDCSA-N 320.345 1.522 30 50 DDEA N#Cc1cccc(S(=O)(=O)NC(=O)[C@H]2C[C@@H]2C(F)F)c1 802033568 CYMJCWBABHCVJU-UWVGGRQHSA-N 300.286 1.264 30 50 DDEA C#CCCC1(CCNC(=O)c2cccc3c2C(=O)NC3=O)N=N1 2325900026 IHXLNVCFRYIWHE-UHFFFAOYSA-N 310.313 1.266 30 50 DDEA COC(=O)c1ccccc1NC(=O)C[n+]1cn(C)c2ccccc21 2532599 ROPRCQBXQPACMY-UHFFFAOYSA-O 324.360 1.891 30 50 DDEA C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c(OC)c1 4083993 ZGOYENBAJJKRMN-CQSZACIVSA-N 318.329 1.758 30 50 DDEA COc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)c1 4838060 FJEUEVRFOLXBEI-UHFFFAOYSA-N 309.325 1.822 30 50 DDEA CO[C@H]1C[C@@H](CO)N(c2ccc(C#N)cc2Br)C1 310788293 UCEHVWIZXNJSGE-QWRGUYRKSA-N 311.179 1.907 30 50 DDEA C=CCc1cc(CN2CCC(NS(C)(=O)=O)CC2)ccc1O 67692764 FPIDKKCHSUNTKY-UHFFFAOYSA-N 324.446 1.634 30 50 DDEA C=CCN(C(=O)Cc1cc(C)no1)[C@]1(C)CCS(=O)(=O)C1 67755553 UCDVUIGRYBLEPT-CQSZACIVSA-N 312.391 1.117 30 50 DDEA CSC[C@H](C)/N=C(/O)N1CCO[C@@H](CN(C)CC2CC2)C1 328635880 NSXBBCFCCCSQPA-JSGCOSHPSA-N 315.483 1.695 30 50 DDEA COc1ccc(OC)c(S(=O)(=O)N/N=C(/C)c2ccco2)c1 17066391 QQTPEWJLALDJHT-GDNBJRDFSA-N 324.358 1.999 30 50 DDEA CC#CC(=O)N(C)[C@H]1CCCC[C@@H]1N(C)C1CCN(C)CC1 1875363125 RGYGDDASOMQOCY-IRXDYDNUSA-N 305.466 1.805 30 50 DDEA N#CCC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 274743697 OACFTBFVPWYLDB-UHFFFAOYSA-N 303.337 1.594 30 50 DDEA N#Cc1ccc([C@@H](Sc2ncnc3[nH]cnc23)C(N)=O)cc1 118179458 UZAOMKNKIILCIW-LLVKDONJSA-N 310.342 1.543 30 50 DDEA CCc1nc(SCC(=O)NCc2ccco2)[nH]c(=O)c1C#N 5238919 DWHDWEZDLYMQTD-UHFFFAOYSA-N 318.358 1.205 30 50 DDEA CNC(=O)[C@@]1(COC)CCCN1Cc1cc(F)ccc1C#N 591646275 HPURRGGZVWBWEY-INIZCTEOSA-N 305.353 1.424 30 50 DDEA Cc1cc(C)c(C#N)c(N2CCC[C@@](O)(CC(=O)N(C)C)C2)n1 591618735 RRRPQDQMGOSFAY-QGZVFWFLSA-N 316.405 1.380 30 50 DDEA C#CCOc1cc(Br)c(CNCCO)cc1OC 2741259 OHGDKFFJYYNZPS-UHFFFAOYSA-N 314.179 1.552 30 50 DDEA N#Cc1ccccc1CN1CCC[C@](O)(C(=O)N2CCCC2)C1 331732338 QNUJFXBMZQIIQF-GOSISDBHSA-N 313.401 1.508 30 50 DDEA OC[C@H]1CN(C(O)=Nc2ccn3ccnc3c2)CCC1(F)F 329612916 KEFQAHOBLFBOOH-SNVBAGLBSA-N 310.304 1.829 30 50 DDEA Cc1c(C#N)c(N2CCN([C@H]3CCNC3)CC2)nc2ccccc12 333612090 YDXWIHQNQHZRGK-HNNXBMFYSA-N 321.428 1.899 30 50 DDEA CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(C#N)c[nH]1)C2 217527905 NJNNAZKBXGWELN-HNNXBMFYSA-N 313.361 1.572 30 50 DDEA CC(=O)N1CCCn2nc(CNc3cc(C#N)ccn3)cc2C1 82166758 DXYIHQXWTQGTDR-UHFFFAOYSA-N 310.361 1.514 30 50 DDEA C=CC[C@]1(C(=O)O)CCCN(CCCS(=O)(=O)N(C)C)C1 91830274 CRSMXKXVJFRBOT-AWEZNQCLSA-N 318.439 1.011 30 50 DDEA C=CC[C@]1(CO)CCCN(C(=O)c2cc(C#N)c(=O)[nH]c2C)C1 91381800 FDGQYYXKSIKTNX-KRWDZBQOSA-N 315.373 1.346 30 50 DDEA C[C@H](NC[C@]1(CO)COC[C@@H](C)N1C)c1ccc(C#N)c(F)c1 1875399044 MOCJINTZCFKRNF-IGCXYCKISA-N 321.396 1.430 30 50 DDEA CN1CCO[C@@H](c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1 170024298 QCXVQZXSPNSOKD-OAHLLOKOSA-N 303.211 1.989 30 50 DDEA C[C@@H]1CC(NC(=O)CCn2cc(C#N)c(O)nc2=O)C[C@@H](C)C1 585121036 COXQOJZRLUATHX-QWRGUYRKSA-N 318.377 1.152 30 50 DDEA C=CCNC(=O)c1ccc(OC)c(S(=O)(=O)NCCC)c1 13945932 RVARLHDSTOOMJX-UHFFFAOYSA-N 312.391 1.299 30 50 DDEA COCCN(C)c1ccc(/C=C/C(=O)c2cc(CO)on2)cn1 821012257 GTPJCRFNEVSHHW-HWKANZROSA-N 317.345 1.541 30 50 DDEA N#Cc1cnn2c(=O)nc(SCC[C@@]34CCC[C@@H]3C4)[nH]c12 2325797373 LAVSPXDMULSHDT-QMTHXVAHSA-N 301.375 1.962 30 50 DDEA C#CCCC1(CCNC(=O)c2cnn(-c3ccccn3)c2)N=N1 2325887527 ZUBGDQCYRHMODW-UHFFFAOYSA-N 308.345 1.963 30 50 DDEA CS(=O)(=O)N1CCC[C@@H]1CNc1nc2c(cc1C#N)CCC2 269875547 PCPKZKAQYAUCHK-CYBMUJFWSA-N 320.418 1.278 30 50 DDEA C#CCCC1(CCC(=O)NC[C@]2(C(=O)O)CCCOC2)N=N1 952880585 WFHWDGDREKKQSW-CQSZACIVSA-N 307.350 1.340 30 50 DDEA N#Cc1ccnnc1Nc1cnn(CC(=O)NC2CCCC2)c1 1875359050 RZZXSEGSJOOAGI-UHFFFAOYSA-N 311.349 1.347 30 50 DDEA Cc1cnc([C@@H](C)NC(=O)c2ccc(C#CC(C)(C)O)o2)[nH]1 952987188 KLOMYOIATMHJDP-LLVKDONJSA-N 301.346 1.925 30 50 DDEA CN1CCN(C)[C@H](CNCc2ccc(C#Cc3cn[nH]c3)cc2)C1 1775985128 FYSYWLFNAJTHIV-LJQANCHMSA-N 323.444 1.145 30 50 DDEA N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)cc1 1857728500 DLFSCUDPDYCEHO-YESZJQIVSA-N 311.385 1.540 30 50 DDEA CCCN(CC#Cc1ccccc1)C(=O)[C@@H]1CN(C)CC[C@H]1O 20543223 WJBGISSEPNCIGN-QZTJIDSGSA-N 314.429 1.589 30 50 DDEA C=C(C)COc1ccccc1C(=O)NCCc1nncn1C 55358018 TXNAONXTFDGAER-UHFFFAOYSA-N 300.362 1.743 30 50 DDEA CC1(C)OB(c2ccc3ncc(C(=O)O)c(O)c3c2)OC1(C)C 170007271 WMUIEEFGILEGDS-UHFFFAOYSA-N 315.134 1.938 30 50 DDEA Cc1c(C#N)c2ccccc2n1CC(=O)N1CCOC[C@@H](O)C1 77469797 QAZVUTXHIGFBHU-ZDUSSCGKSA-N 313.357 1.041 30 50 DDEA C=C(C)C(=O)Oc1c(F)c(F)c(S(=O)(=O)O)c(F)c1F 38530148 ZLVYNTRKEGIGNC-UHFFFAOYSA-N 314.212 1.971 30 50 DDEA C[C@@H](C#N)CNCc1c(CNC(=O)OC(C)(C)C)cnn1C 952995654 TUZOYXMWKPDUAD-NSHDSACASA-N 307.398 1.694 30 50 DDEA COCCNC(=O)[C@@H](C#N)C(=O)C=C1C2CC3CC(C2)CC1C3 1875276413 DQQOYHUERGSEHF-YFPPJOKWSA-N 316.401 1.840 30 50 DDEA CCn1cc(O[C@@H]2CN(c3nc(C)ccc3C#N)C[C@H]2O)cn1 599112992 JGSCDTQTYKSZFV-HUUCEWRRSA-N 313.361 1.107 30 50 DDEA CC1CC(NS(=O)(=O)c2ccc(C#N)cc2NCCO)C1 1615046362 AIPIBJWTMMWRLA-UHFFFAOYSA-N 309.391 1.039 30 50 DDEA C#CCN1CC(=O)N(COC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C1=O 5159145 VPRAQYXPZIFIOH-JSGCOSHPSA-N 318.373 1.623 30 50 DDEA biogenic,in-man Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1CN 227926104 PFWKXLGHZLKOSK-FZMZJTMJSA-N 307.419 1.615 30 50 DDEA COC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5238262 VJXCAKHBMDQMKB-SECBINFHSA-N 315.354 1.962 30 50 DDEA COc1cccc2c1OC[C@@H](NC(=O)c1ccc(C#N)nc1)C2 115060526 FHIFAGXRJNPVKV-AWEZNQCLSA-N 309.325 1.695 30 50 DDEA CN1C(=O)N[C@@H]2CN(Cc3ccc(Cl)cc3C#N)CC[C@@H]21 285840482 PVOOLTHXLAQOMD-KGLIPLIRSA-N 304.781 1.810 30 50 DDEA O=C(c1ccc2ccccc2c1)N1CCCN(C(=O)[C@@H]2CO2)CC1 1875373092 TXTQPKCXPIZWPT-KRWDZBQOSA-N 324.380 1.913 30 50 DDEA CSCC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C#N)cc1 1565512147 DLGPOOVXEYJJOI-KBPBESRZSA-N 306.387 1.574 30 50 DDEA C=CCN(Cc1ccsc1)C(=O)CCCS(N)(=O)=O 1506413667 KWJLDSZJJGWFCX-UHFFFAOYSA-N 302.421 1.331 30 50 DDEA Cn1cc(C#N)cc1C(=O)N1CCN(C2CCCCC2)CC1 152182172 LBVCQIAYOCFPKL-UHFFFAOYSA-N 300.406 1.987 30 50 DDEA CCOC(=O)[C@]1(CC#N)CN(Cc2ccccc2)CCC1=O 309655060 IOBRFXVBKUFZBL-QGZVFWFLSA-N 300.358 1.925 30 50 DDEA in-vitro Cc1oc(C#N)cc1/C(O)=N/C[C@@H]1CCN(S(C)(=O)=O)C1 331231826 QXKUVZHLPROBRV-JTQLQIEISA-N 311.363 1.046 30 50 DDEA Cn1cc(C#N)cc1C(=O)NC[C@H]1CCCN1c1cccnn1 372681115 ONORTHPCHBGUHZ-CYBMUJFWSA-N 310.361 1.086 30 50 DDEA CNC(=O)[C@@]1(COC)CCCN1Cc1ccc(CC#N)cc1 591646858 MVNABXFCLJBTCX-KRWDZBQOSA-N 301.390 1.480 30 50 DDEA C#CCCN(CC(F)(F)F)C(=O)C1CCN(C(=O)C=C)CC1 2325883863 HPSMFLLXKSRMJO-UHFFFAOYSA-N 316.323 1.825 30 50 DDEA N#Cc1ccccc1/C=C/C(=O)N1CCOC[C@H]1c1ncon1 374921086 XJNOHGVPFNSKBH-GJBLVYBDSA-N 310.313 1.555 30 50 DDEA C=CCc1c(C)nc(N)nc1N1CCC(N2CCOC2=O)CC1 95367742 YZNQNWWYPUGMCA-UHFFFAOYSA-N 317.393 1.517 30 50 DDEA C#CCCC1(CCNC(=O)[C@H]2OCCO[C@H]2C(F)(F)F)N=N1 1875381176 MKKGQBLTSFUPJL-VHSXEESVSA-N 319.283 1.415 30 50 DDEA O=S(=O)([C@@H]1C[C@H]2CC[C@@H]1[C@@H]1O[C@@H]12)N1CCc2ccccc2C1 2325891786 RAXTWKRQULAPKQ-LBWNCTQTSA-N 319.426 1.940 30 50 DDEA N#Cc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1 4814381 ZVJKSAPXAAUNBU-UHFFFAOYSA-N 300.339 1.971 30 50 DDEA CC(C)(C)OC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 575442724 NWAMCEWEIFZABT-UHFFFAOYSA-N 306.171 1.731 30 50 DDEA N#Cc1ccc(C[C@@H]2CC[C@H](CN3CCCOCC3)O2)nc1 952854478 KVSOOIVLQBPFCJ-DLBZAZTESA-N 301.390 1.766 30 50 DDEA CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 169746379 PFEPMCOWYYWTNT-UHFFFAOYSA-N 311.212 1.202 30 50 DDEA in-vitro Cc1ccc2c(c1)/C(=N/N1C(=O)c3ccccc3C1=O)C(=O)N2 454591 GRELNDDQGJPOHJ-UHFFFAOYSA-N 305.293 1.947 30 50 DDEA C=CCNC[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 15065532 YKNFTOCVPBCIRD-INIZCTEOSA-N 310.344 1.594 30 50 DDEA C[C@H](/N=C(/O)N1CCC(CC(=O)N(C)C)CC1)c1cnn(C)c1 330748119 ADZUQPITSMXBNE-LBPRGKRZSA-N 321.425 1.585 30 50 DDEA C=C(C)Cn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C 180678 PGZWZZCLTUEWOL-UHFFFAOYSA-N 317.393 1.380 30 50 DDEA biogenic N#Cc1cc2c(=O)n(Cc3cnn4ccccc34)ccc2nc1O 67758166 CEMFBISMNVIOFC-UHFFFAOYSA-N 317.308 1.670 30 50 DDEA COCC(=O)NC[C@H]1CCCN(Cc2ccccc2C#N)C1 67805736 ITEYYFXLSMZRGP-CQSZACIVSA-N 301.390 1.533 30 50 DDEA COc1cc(C#N)ccc1CN1CCO[C@@H](c2nncn2C)C1 328632541 LJWJKWBFEUDLEE-OAHLLOKOSA-N 313.361 1.269 30 50 DDEA N#C[C@@]12C=C[C@H]1[C@H]1C=C[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n21 230115648 NSULHBDHVWVZNM-CFAJVAMVSA-N 304.309 1.162 30 50 DDEA CC(C)(O)C#Cc1ccc(C(=O)NCc2cncn2C2CC2)o1 584892118 BSLNCWLUKONITK-UHFFFAOYSA-N 313.357 1.863 30 50 DDEA N#Cc1c(NCC2(CO)CCOCC2)cccc1-n1cccn1 408522583 BNWJSSRFBXKCDP-UHFFFAOYSA-N 312.373 1.945 30 50 DDEA N#Cc1ccc(Cl)cc1N1CC[C@](O)(Cn2ccnn2)C1 585788362 CKNRLSIOWVTARG-CQSZACIVSA-N 303.753 1.445 30 50 DDEA C=C(C)COc1cccc(C(=O)NCCN2CCOCC2)c1 55197317 OWJNDCWQGHDONP-UHFFFAOYSA-N 304.390 1.704 30 50 DDEA C=CCn1cc(CN(CC)Cc2nc(COC)no2)c(C)n1 55212132 RGKCEOFCCOAPFI-UHFFFAOYSA-N 305.382 1.929 30 50 DDEA C=CCn1nc(C(=O)O)c2c1CC[C@@H](NCc1cccnc1)C2 67910464 OFPHCUNTWXUKGP-CYBMUJFWSA-N 312.373 1.809 30 50 DDEA C=CCn1cc(C(=O)N2CC(C)(C)[C@@H]2c2cnn(C)c2)nn1 952887347 OQGJKPSZDOAHCA-ZDUSSCGKSA-N 300.366 1.421 30 50 DDEA COc1ccc(CN2CCC[C@](O)(c3cnn[nH]3)C2)cc1C#N 583617364 ASHCNCYWYOWIKY-MRXNPFEDSA-N 313.361 1.169 30 50 DDEA C[C@H](CN1CCCCC1)NS(=O)(=O)Cc1cccc(C#N)c1 189128023 IWFMSYUATCGHKD-CQSZACIVSA-N 321.446 1.852 30 50 DDEA Cn1ncc(CN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n1 809974078 LALSNAQJXNZCPI-MRXNPFEDSA-N 314.368 1.337 30 50 DDEA C=CC[C@@H]1NC(=O)N(c2nnn(Cc3ccncc3)c2C)C1=O 1120002977 CQSCKJKDUIBTKC-LBPRGKRZSA-N 312.333 1.031 30 50 DDEA COc1cc(NC2CCN(c3ncccc3C#N)CC2)ncn1 65532238 FAMLVHBOLWYWOH-UHFFFAOYSA-N 310.361 1.833 30 50 DDEA COc1cc(CNC(=O)N2C[C@H](F)C[C@@H]2CO)ccc1C#N 360634431 OVNDZJRMLLVSQS-CHWSQXEVSA-N 307.325 1.181 30 50 DDEA Cn1cc(CN[C@H]2CCN(C(=O)c3ccncc3)C2)cc1C#N 365321752 HSHFVFLSUIAECG-HNNXBMFYSA-N 309.373 1.296 30 50 DDEA COc1ccc(CN2C(=S)N[C@@H]3C[S@@+](=O)(O)C[C@@H]32)cc1 334158155 UVOMXALCIQQGBS-NEPJUHHUSA-P 313.424 1.109 30 50 DDEA CC#CC(=O)NC[C@H](c1ccc(F)cc1)N1CCN(C)CC1 1875370167 DOMYAYKYOQARFD-MRXNPFEDSA-N 303.381 1.254 30 50 DDEA N#Cc1cc(N2CCN3C[C@H](O)C[C@H]3C2)ccc1C(F)(F)F 405225361 OLJZVPZJEPTBGV-QWHCGFSZSA-N 311.307 1.832 30 50 DDEA CO[C@H]1C[C@H](N(C)S(=O)(=O)c2cncc(C#N)c2)C12CCC2 576550981 LELRAQAPBWPOLY-KBPBESRZSA-N 321.402 1.531 30 50 DDEA C=C(C)CN1CCC(NC(=O)N[C@H]2CCN3CCCC[C@@H]23)CC1 229549731 FUNAHENVBKLILD-IRXDYDNUSA-N 320.481 1.953 30 50 DDEA C=C(C)COc1cccc(C(=O)NCCN2CCC[C@H](O)C2)c1 55108330 QEUDBVPQRURQBV-INIZCTEOSA-N 318.417 1.828 30 50 DDEA CCc1cc(C(=O)N2CC[C@@H](n3ccc(N=C(C)O)n3)C2)n[nH]1 328613180 RAJQNGJBAOLWDM-GFCCVEGCSA-N 316.365 1.864 30 50 DDEA C=CCOC(=O)c1[nH]c2c(c1C)C(=O)[C@@H](C(=O)OC)[C@@H](C)C2 2499367 WDEOGJQPVWYFDC-KWQFWETISA-N 305.330 1.830 30 50 DDEA Cc1ccc(O[C@H]2CCN(C(=O)C3(C#N)CCOCC3)C2)cn1 365522714 NDGRTDMISHPXEV-HNNXBMFYSA-N 315.373 1.690 30 50 DDEA C=CC[C@@]1(CO)CCCN(C(=O)CCN2CCCCC2=O)C1 91846911 ZHARDHGTTALRCG-QGZVFWFLSA-N 308.422 1.566 30 50 DDEA CC#CC(=O)NCc1ccc(N2C[C@@H](C)CS2(=O)=O)cc1 1875363289 XGUFPPBKBBQHKV-GFCCVEGCSA-N 306.387 1.112 30 50 DDEA Cc1nc(C/C(N)=N/OCCN2C[C@@H]3CC[C@H](C2)O3)cs1 170609025 YFLNOVCMCOCQRS-BETUJISGSA-N 310.423 1.146 30 50 DDEA C=CCn1c(SCC(N)=O)nnc1-c1ccc(OC)cc1 1077063 DMCRRDAGOKCSTF-UHFFFAOYSA-N 304.375 1.717 30 50 DDEA O=C1CC(c2ccc(Cl)cc2)CC(=O)C1=CN1C[C@H](O)CO1 1388421 WPFHXZFSHREEHL-YUZLPWPTSA-N 321.760 1.848 30 50 DDEA Cc1c(C(=O)NC2(C#N)CCOCC2)cnn1-c1ccccc1 115466624 BBXCHDZRTDWCSM-UHFFFAOYSA-N 310.357 1.983 30 50 DDEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)[C@@H]2CCCOC2)C1 328642926 REWGENYOVDMUJC-IYXRBSQSSA-N 310.394 1.697 30 50 DDEA O=C(C1CC1)N1CCC(/N=C(/O)N2CCC(F)(F)C2)CC1 329240261 QVOCTFMHSNCROV-UHFFFAOYSA-N 301.337 1.642 30 50 DDEA N#Cc1c(F)cccc1N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 299745275 XLLSQPIBBAXQLC-ABAIWWIYSA-N 321.327 1.473 30 50 DDEA Cc1ccc(N2CCC(C(=O)N3CCO[C@@H](C#N)C3)CC2)nc1 171731605 XZHYBUMIHZWKLB-HNNXBMFYSA-N 314.389 1.357 30 50 DDEA C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](COCC)C1 408520155 NTNSSVIZJDLHNL-ZIAGYGMSSA-N 324.421 1.788 30 50 DDEA N#Cc1ccc(CCNC(=O)N2CCCn3nc(N)cc3C2)cc1 1615058448 ZVZSTRKCKOLQOO-UHFFFAOYSA-N 324.388 1.495 30 50 DDEA Cc1c([C@H]2OCC[C@@H]2/N=C(/O)N=c2cc[nH]cc2F)cnn1C 328625224 KLYORWXNJGOECJ-UONOGXRCSA-N 319.340 1.541 30 50 DDEA CCOc1ccc(/C=N/Nc2nc(=O)c(C)n[nH]2)cc1OC 3945076 OJVNCXNMYRZPQK-OVCLIPMQSA-N 303.322 1.327 30 50 DDEA C[C@](C#N)(NC(=O)CN1CCC[C@@H](c2ccn[nH]2)C1)C1CC1 229219939 KULQCUQASSTBJL-MLGOLLRUSA-N 301.394 1.398 30 50 DDEA C[C@H](CO)N1CCCN(C(=O)c2ccc(CC#N)cc2)CC1 372733591 YVRBBWCZAMAFIF-CQSZACIVSA-N 301.390 1.281 30 50 DDEA N#Cc1ccc(N[C@@H]2CCN(C(=O)Cc3ccccc3)C2)nc1 376473538 IANPGEMHDDRLNB-MRXNPFEDSA-N 306.369 2.209 30 50 DDEA C=CC[C@]1(C(=O)O)CCCN(C(=O)CCCn2cccn2)C1 91547277 XHTVGIHWXVEJLX-INIZCTEOSA-N 305.378 1.933 30 50 DDEA N#Cc1cnccc1N1CCC([C@@H]2CC[C@H](C(=O)O)O2)CC1 1775958281 ONDVGAWUELBUMB-LSDHHAIUSA-N 301.346 1.802 30 50 DDEA N#Cc1cc(Br)ccc1N1CCC[C@](O)(C(N)=O)C1 284726310 VKDHNZKIKJXWBX-CYBMUJFWSA-N 324.178 1.137 30 50 DDEA C=C(C)c1cccc(C(C)(C)NC(=O)N(CCO)CCO)c1 2516958 BZGIRLVTVFPACX-UHFFFAOYSA-N 306.406 1.951 30 50 DDEA C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CC(=O)Nc2ccc(C#N)cc21 333879502 RFVCWYQXWPJTQZ-MFKMUULPSA-N 311.341 1.849 30 50 DDEA N#CC1(F)CCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 359347967 JHCHRYKQPDHOSM-AWEZNQCLSA-N 309.385 1.484 30 50 DDEA CCO[C@H]1C[C@@](CO)(NC(=O)c2cccc(C#N)c2)C1(C)C 188764731 WTDBOJZBJXDSHM-YOEHRIQHSA-N 302.374 1.854 30 50 DDEA O=S(=O)([C@@H]1C[C@H]2CC[C@@H]1[C@@H]1O[C@@H]12)N1Cc2ccccc2C1 2325891953 NJSVORTXQRKNQO-XNNBJJOUSA-N 305.399 1.898 30 50 DDEA Cc1nc2cncc(N3CCN(c4ncccc4C#N)CC3)n2n1 328651834 WBPKQKKDRDUJIA-UHFFFAOYSA-N 320.360 1.026 30 50 DDEA C#CC[C@]1(O)C[C@@H](C(=O)Nc2ccn(CC(F)(F)F)n2)C1 1776006505 QTHFYACJFKXZES-WVSHTKLVSA-N 301.268 1.548 30 50 DDEA C=C(Cl)CS(=O)(=O)N[C@@H](C)[C@H](O)Cc1ccccc1 170608429 QUHYNWQCOGRJNY-WCQYABFASA-N 303.811 1.650 30 50 DDEA N#Cc1ccc(N2CCN(Cc3ccc(O)cc3)CC2)nc1N 601258124 XXTIEQAKYHNKDE-UHFFFAOYSA-N 309.373 1.563 30 50 DDEA C=C(C)CS(=O)(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 189388959 FVXGRTYBZWWCSF-INIZCTEOSA-N 319.430 1.775 30 50 DDEA COC(=O)c1ccc(CN2C(=O)/C(=N\O)c3ccccc32)o1 13718514 AJYRVGLRYFRTRH-SSZFMOIBSA-N 300.270 1.791 30 50 DDEA CC1(C)OB(c2ccc(CN3CCOCC3)c(F)c2)OC1(C)C 169743787 QINFDPZSZHPUSC-UHFFFAOYSA-N 321.201 1.957 30 50 DDEA CN(C)C(=O)C[C@@]1(O)CCCN(c2ncc(C#N)cc2Cl)C1 591618364 ONDPGDFOAQUPPU-HNNXBMFYSA-N 322.796 1.416 30 50 DDEA CCn1ccnc1[C@H]1OCC[C@@H]1N/C(O)=N/CC1(OC)CCC1 328625032 KHFCCCQTTZRBCL-STQMWFEESA-N 322.409 1.806 30 50 DDEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)[C@@H]2CCCCO2)C1 328625594 DHPPRITVBSSOGE-RUXDESIVSA-N 310.394 1.840 30 50 DDEA N#Cc1ccc(O[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)nc1 366180189 BWRKMLDJTBBJBG-GFCCVEGCSA-N 306.329 1.882 30 50 DDEA C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccnc1 160767173 VCPYIWIDHQHOHA-LBPRGKRZSA-N 308.345 1.094 30 50 DDEA CC(C)[C@](C)(C#N)NC(=O)CN1CCc2ccccc2[C@@H]1CO 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50 DDEA Cc1nc([C@@H]2CCN(CC(=O)NCc3cccc(C#N)c3)C2)n[nH]1 1413014301 SVKJZBVHXCRCJR-OAHLLOKOSA-N 324.388 1.091 30 50 DDEA CN1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CC1 200373194 DCWPPXDQCNZIEI-UHFFFAOYSA-N 302.227 1.738 30 50 DDEA Cc1ccc2nc3c(cc(C(=O)N(C)CCC#N)n3C)c(=O)n2c1 12421548 VQMHHTBGTJVSJL-UHFFFAOYSA-N 323.356 1.480 30 50 DDEA CN1CCN(Cc2ccc(C#CC(C)(C)O)s2)C[C@H]1C(=O)O 67433333 MRVOXMFSOQVSDI-AWEZNQCLSA-N 322.430 1.071 30 50 DDEA COc1ccc([C@H](CO)CNC(=O)c2cc(C#N)cn2C)cc1 458258474 WNCLHXUWCLOXLB-AWEZNQCLSA-N 313.357 1.411 30 50 DDEA COCCN1C(=O)[C@H]2CC[C@@H]1CN(c1cc(C#N)ccn1)C2 91860251 SRCIACRDOYNQFP-UONOGXRCSA-N 300.362 1.027 30 50 DDEA CC[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N(C)C 268731390 LSVTYTOLDXEWBQ-DLBZAZTESA-N 314.433 1.563 30 50 DDEA CN(CCCC(=O)Nc1ccc(C#N)cc1)C[C@H]1COCCO1 244900251 ZYRMBOQLJYMTAP-INIZCTEOSA-N 317.389 1.624 30 50 DDEA C[C@@H](Cn1cncn1)C(=O)N1CCC(C#N)(c2ccccc2)CC1 826688467 FABIEOLVLCDBTC-HNNXBMFYSA-N 323.400 1.998 30 50 DDEA C#CCCC1(CCC(=O)NC2CCN(C(=O)C3CC3)CC2)N=N1 952879847 BUHZYRINFOHXRR-UHFFFAOYSA-N 316.405 1.859 30 50 DDEA CCN(CCN1CCCC1)S(=O)(=O)c1ccccc1C#N 952976158 QFVVPZOKFNBJSO-UHFFFAOYSA-N 307.419 1.665 30 50 DDEA CC(=O)N1CCO[C@H]2CCN(c3c(F)cc(C#N)cc3F)C[C@@H]21 886051482 BWHNPOVYVKYXHU-GJZGRUSLSA-N 321.327 1.662 30 50 DDEA C=CCNS(=O)(=O)c1ccc(Br)c(OC)c1 16649850 YPJQSPZWQKYXGQ-UHFFFAOYSA-N 306.181 1.922 30 50 DDEA CN1CCN(CC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 19367911 TUVUYMHQAWUWEK-UHFFFAOYSA-N 318.446 1.684 30 50 DDEA N#Cc1ncn(C/C(O)=N/C2CCN(C3CCCCC3)CC2)n1 330214576 GGTFEYYAGNMDEJ-UHFFFAOYSA-N 316.409 1.903 30 50 DDEA C=CCNC(=O)CN1CCc2cc(OC)c(OC)cc2CC1 138731964 XWCPHXZRWKOTLJ-UHFFFAOYSA-N 304.390 1.407 30 50 DDEA C=CCN(CC=C)C(=S)Nc1ccc(S(N)(=O)=O)cc1 611687 IIHWYQICXVVIIU-UHFFFAOYSA-N 311.432 1.705 30 50 DDEA CCS(=O)(=O)N(C)[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O 3995918 HVSJHHXUORMCGK-UONOGXRCSA-N 324.402 1.413 30 50 DDEA biogenic,in-vitro C=CCN(C(=O)CN1CCCC[C@H](O)C1=O)c1ccccc1 615003495 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1.320 30 50 DDEA N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)c1 534660531 DYCFJKHRQCRSMR-OAHLLOKOSA-N 309.373 1.676 30 50 DDEA C=CCOCCCC(=O)N=c1nc(C)[nH]n1-c1ccncc1 1775991943 PNMSJOQQOQXCCR-UHFFFAOYSA-N 301.350 1.314 30 50 DDEA Cc1nc(C(=O)N[C@H]2CCO[C@@H]2c2cccnc2)ccc1C#N 275498893 VVOQDHWQFCJGMT-GOEBONIOSA-N 308.341 1.917 30 50 DDEA C#C[C@@H](C)NC(=O)c1csc(I)n1 408523427 RPJBCZDJGVOYSO-RXMQYKEDSA-N 306.128 1.499 30 50 DDEA COc1cc([C@H]2NC(=O)NC(C)=C2C(C)=O)cc([N+](=O)[O-])c1O 18205719 JYPRQAVPZHQYGO-GFCCVEGCSA-N 321.289 1.526 30 50 DDEA COc1ccc(C#N)cc1CN1CC(C)(C)O[C@H]2COC[C@@H]21 1857532261 ZFGDFPVQCDGWPY-HOCLYGCPSA-N 302.374 1.945 30 50 DDEA C#CCCC1(CCNC(=O)Cn2nnc(C(C)(C)C)n2)N=N1 2325891556 OBIDKCSCNBXOEH-UHFFFAOYSA-N 303.370 1.052 30 50 DDEA N#Cc1ccccc1OCCN1CCC[C@@H]1[C@@H]1COCC[C@H]1O 253623560 ZPRSUUZKVNFMIL-GVDBMIGSSA-N 316.401 1.799 30 50 DDEA C=CCn1c(CN)nnc1Sc1cc(C)nc(N(C)C)n1 534629934 IZWUIYFZCQHZIG-UHFFFAOYSA-N 305.411 1.238 30 50 DDEA C=C[C@H](O)C(=O)N1CCC(Cn2cc(C3CCCC3)nn2)CC1 1875323508 KKBSVPOXSHYJTQ-INIZCTEOSA-N 318.421 1.721 30 50 DDEA C=C(C)CS(=O)(=O)NC[C@H](CC(C)C)NC(=O)OCC 170599261 YPSAZGHGSOQLOF-LBPRGKRZSA-N 306.428 1.643 30 50 DDEA C=C(C)CNC(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1cnn(C)c1 330992374 SQAHCHGXYWUUDM-HIFRSBDPSA-N 304.394 1.412 30 50 DDEA CC(O)=Nc1ccn([C@H]2CCN(C(=O)C3(O)CCCCC3)C2)n1 328611212 KQMXYKVWVFFYOI-ZDUSSCGKSA-N 320.393 1.960 30 50 DDEA N#Cc1ccccc1OCCN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 284666298 DMEQUOSWQFZCQM-BBWFWOEESA-N 316.401 1.799 30 50 DDEA CC(C)[C@](C)(C#N)NC(=O)CNc1cccc2c1OCC[C@H]2O 253418862 BWGLEUGJGKVUGL-PBHICJAKSA-N 317.389 1.969 30 50 DDEA CCn1nccc1N1CCC[C@H](Nc2nccc(C#N)n2)C1=O 295050248 ONJCCRAEYDZHTQ-LBPRGKRZSA-N 311.349 1.172 30 50 DDEA CC(=O)N1CCO[C@H]2CCN(c3nc(C)cc(C)c3C#N)C[C@@H]21 886027717 JGAQNEAYKFZGGM-HOTGVXAUSA-N 314.389 1.396 30 50 DDEA C[C@H]1CS(=O)(=O)C[C@H]1N/C(O)=N/[C@@H]1C[C@H]1c1ccccc1 329638280 YXQAKBDQDGIDHX-SCUASFONSA-N 308.403 1.479 30 50 DDEA COC(=O)Cc1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1 200091849 MNYSQPXCOWTNQR-UHFFFAOYSA-N 306.167 1.710 30 50 DDEA CC(C)[C@H](Oc1ccccc1C#N)/C(O)=N/[C@@H](CO)C(=N)O 328591938 FZFZAIAKCYROML-AAEUAGOBSA-N 305.334 1.814 30 50 DDEA CCN1CCOC[C@@H]1/C(O)=N/[C@@H]1CN(c2ccc(F)cc2)C1=O 329334652 ODTLSBPIPCCJGV-ZIAGYGMSSA-N 321.352 1.218 30 50 DDEA CC(C)CC(=O)N1CCC(/N=C(/O)c2ccn(C)c(=O)c2)CC1 330696962 FAFCZLKYTAVIMX-UHFFFAOYSA-N 319.405 1.727 30 50 DDEA Cc1nc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)ccc1C#N 172759037 RAIGEHPVHBXLIE-AWEZNQCLSA-N 324.388 1.394 30 50 DDEA C[C@@H](CN1CCCCC1)NS(=O)(=O)Cc1cccc(C#N)c1 189127998 IWFMSYUATCGHKD-AWEZNQCLSA-N 321.446 1.852 30 50 DDEA C=CCNC(=O)c1nnn(-c2ccc(OCC)cc2)c1COC 12274066 QTYAHFVDHZLQKA-UHFFFAOYSA-N 316.361 1.728 30 50 DDEA Cc1cc(C(=O)CSc2ncc(C#N)c(N)n2)c(C)n1C 16647429 NLSSPXLZHKSHPG-UHFFFAOYSA-N 301.375 1.861 30 50 DDEA CN(C)Cc1cc(C(=O)O)ccc1B1OC(C)(C)C(C)(C)O1 169955889 ZNLJZIXCVRSACN-UHFFFAOYSA-N 305.183 1.746 30 50 DDEA CCCNC(=O)C1CCN(/C(O)=N/[C@@H](C)c2cn[nH]c2)CC1 330479233 YUBQPMZXJFKEGF-NSHDSACASA-N 307.398 1.623 30 50 DDEA C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccnc1 160767048 VCPYIWIDHQHOHA-GFCCVEGCSA-N 308.345 1.094 30 50 DDEA Cc1ccc(C#N)c(N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)n1 91474562 SDTMGTYTNMFMKP-KRWDZBQOSA-N 313.405 1.052 30 50 DDEA N#Cc1ccc(CN2CCC[C@@H](n3cnc(C(N)=O)n3)C2)s1 299739095 KMJMZTVFRHWIIR-SNVBAGLBSA-N 316.390 1.147 30 50 DDEA N#Cc1cc(Br)cc(S(=O)(=O)N2CCCO2)c1 186349024 HYXPEFGVDIXLOG-UHFFFAOYSA-N 317.164 1.647 30 50 DDEA Cn1cc(CN[C@H]2CCCN(c3cccnc3)C2=O)cc1C#N 191587513 WGJZPIBQGFMIRY-INIZCTEOSA-N 309.373 1.577 30 50 DDEA O=S(=O)(CC[C@H]1CCCCO1)NCC#Cc1cccnc1 1615054891 CADWCUWSIYTGQU-OAHLLOKOSA-N 308.403 1.312 30 50 DDEA COC[C@]1(C(N)=O)CCCN1Cc1ccccc1C(C)(C)C#N 591648500 ZBPTYDFTHFIJOQ-SFHVURJKSA-N 315.417 1.954 30 50 DDEA CO[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@H]1c1cnn[nH]1 591629832 LZXRLUWDUIWFGI-SMDDNHRTSA-N 303.753 1.949 30 50 DDEA CN[C@H](CC(C)(C)C)C(=O)NS(=O)(=O)CC(C)(C)C#N 2325777773 CDTPHGADCRHLLC-SNVBAGLBSA-N 303.428 1.006 30 50 DDEA C#CCCC1(CCC(=O)Nc2c(C)nn(C)c2C(=O)OC)N=N1 2325892854 KIFBYAVRNLERNH-UHFFFAOYSA-N 317.349 1.809 30 50 DDEA COCCN(C)c1ccc(/C=C/C(=O)c2cnn(C)n2)cn1 864086549 LAHLUOLNHNYBGR-GQCTYLIASA-N 301.350 1.189 30 50 DDEA CC(=O)C[C@@H]1NC(=O)C([N+](=O)[O-])=C(Sc2ccccc2)N1 170621882 ZSUGSMLCTDRKQL-SNVBAGLBSA-N 307.331 1.249 30 50 DDEA CC(C)C1=NO[C@H](CNC(=O)c2ccc(C#CC(C)(C)O)o2)C1 65384132 XIUHRJCYQKYFEA-ZDUSSCGKSA-N 318.373 1.933 30 50 DDEA CC1=CCCN(/C(O)=N/[C@@H]2CCCN(c3ccnn3C)C2)C1 328588484 QBSNXTJTHLRPIR-CQSZACIVSA-N 303.410 1.955 30 50 DDEA Cc1nc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)ccc1C#N 292031199 UKSGMKAVCQOMCI-ZDUSSCGKSA-N 322.434 1.370 30 50 DDEA O=[S@+]1(O)C[C@H]2NC(=S)N(c3ccc(F)cc3F)[C@@H]2C1 334158264 CFBNZFVSKIROHY-PSASIEDQSA-P 305.351 1.383 30 50 DDEA CC(C)S(=O)(=O)N(C)C(=O)[C@H]1C[C@@H]1c1ccc(C#N)cc1 1875253511 GDQHEGWOEYUZBK-KGLIPLIRSA-N 306.387 1.858 30 50 DDEA CCN1C[C@H](CN(C)S(=O)(=O)c2ccccc2C#N)CC1=O 952973419 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1.928 30 50 DDEA in-vitro C#CCCC1(CCC(=O)N[C@@H](Cn2cc(C)cn2)C(=O)O)N=N1 2325886922 NYQZIGLATKKTDE-LBPRGKRZSA-N 317.349 1.117 30 50 DDEA Cn1cnnc1[C@H]1CN(/C(O)=N/C(C2CC2)C2CC2)CCO1 328635481 UVQCHJILYMNINU-GFCCVEGCSA-N 305.382 1.291 30 50 DDEA Cn1nccc1CN1C[C@@H](F)C[C@H]1C/N=C(/O)c1ccoc1 328644622 RXOUWRKCLJPINT-JSGCOSHPSA-N 306.341 1.930 30 50 DDEA C=CCN1C[C@@H](C(=O)N2CCOc3ccccc3C2)CC1=O 820474774 CISHBDUAINTSAO-AWEZNQCLSA-N 300.358 1.442 30 50 DDEA N#Cc1nn(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] 585133105 SVGAEMMLCJPLMC-YPMHNXCESA-N 317.349 1.844 30 50 DDEA C[C@H]1CO[C@H](C)CN1CCS(=O)(=O)c1cccc(C#N)c1 110693073 HVLVNIZPEGIADP-QWHCGFSZSA-N 308.403 1.441 30 50 DDEA C=C1CC[C@@H]1NC(=O)c1ccccc1SCc1nn[nH]n1 2325807008 UGIXDTADMFOMSS-NSHDSACASA-N 301.375 1.940 30 50 DDEA CCOC(=O)N1CCN(C/C(O)=N/c2nnc(C)s2)CC1 21264405 FZYPBLSRNCOXLN-UHFFFAOYSA-N 313.383 1.209 30 50 DDEA CN1CCN(/C(O)=N/Cc2cscn2)C[C@H]1c1nccn1C 328636962 VVHQFFBTSONQON-LBPRGKRZSA-N 320.422 1.279 30 50 DDEA Cc1ccc(N2CCC[C@H](/N=C(/O)[C@@H]3C[C@H](O)CN3)C2)cc1 328594668 HPMFPUKJICAGTG-BPUTZDHNSA-N 303.406 1.643 30 50 DDEA CCN1CCN(/C(O)=N/Cc2ccco2)C[C@H]1c1nccn1C 328614541 AILMYWWIRCUSJM-AWEZNQCLSA-N 317.393 1.806 30 50 DDEA Cc1ccccc1C/C(N)=N/OCc1ncc([N+](=O)[O-])n1C 121189309 FXJVUMYGHMAYLE-UHFFFAOYSA-N 303.322 1.668 30 50 DDEA COCC1(S(=O)(=O)N2CCC[C@@H]2/C(O)=N/C2CC2)CC1 329475250 BTJJXUJVEVPMIW-LLVKDONJSA-N 302.396 1.079 30 50 DDEA COC[C@@H]1CN(C(=O)c2ccc(C#N)c(C)n2)CC(C)(C)O1 284903910 BKWJQLOGHBTGLT-ZDUSSCGKSA-N 303.362 1.528 30 50 DDEA C=CC[C@@]1(C(=O)O)CCCN(Cc2cncn2CCOC)C1 91391366 USZTUZISKVWBEC-MRXNPFEDSA-N 307.394 1.772 30 50 DDEA C#CCCC1(CCC(=O)NCc2cc3n(n2)CCCO3)N=N1 952879813 HKRRWHAPXRFARO-UHFFFAOYSA-N 301.350 1.638 30 50 DDEA CN1C[C@H](CCN=c2[nH]c3c(cc2C#N)CSCC3)CC1=O 1875312850 CLNJEOKEOGKPFB-LLVKDONJSA-N 316.430 1.445 30 50 DDEA C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)CCCC#N 195539364 OJIPSSBNVRHKET-MCIONIFRSA-N 301.456 1.576 30 50 DDEA C=CCOc1ccccc1C(=O)NC[C@H]1CC(=O)N[C@@H](C)C1 585131363 SUFZSPHQROYDHM-QWHCGFSZSA-N 302.374 1.896 30 50 DDEA C=C(C)CN1CCN(c2nc3cc(C(=O)O)ccc3n2C)CC1 1529180055 AQVGFSKBFGVTNY-UHFFFAOYSA-N 314.389 1.970 30 50 DDEA COc1ccc(C(=O)O/N=C(\N)c2cccnc2)cc1OC 4171324 QGGMLORAAYMXCC-UHFFFAOYSA-N 301.302 1.576 30 50 DDEA C=CCn1nc(C)c(CN2C[C@@H]3CCCN3C(=O)[C@H]2C)c1C 1772818656 JASFQKRTNXVWLV-CABCVRRESA-N 302.422 1.881 30 50 DDEA CC(O)=Nc1ccn([C@H]2CCN(C(=O)C3=COCCC3)C2)n1 328610147 GPWIYPVIHPSSLI-ZDUSSCGKSA-N 304.350 1.959 30 50 DDEA O=C1CCCN1C1CCN(/C(O)=N/CC[C@H]2CCOC2)CC1 329765399 WYRWUTBGDGMMRT-ZDUSSCGKSA-N 309.410 1.414 30 50 DDEA Cc1cc(C#N)nc(N[C@H](c2nccn2C)C2CCOCC2)n1 284654389 VPMJKMBUNPCJHX-AWEZNQCLSA-N 312.377 1.970 30 50 DDEA N#C[C@H]1COCCN1[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 192683094 FDBFUWGEARMUGH-FZMZJTMJSA-N 323.755 1.809 30 50 DDEA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3cccc(C#N)c3)CCN21 1616078400 OVDIBABUKNNUPO-SJORKVTESA-N 313.401 1.884 30 50 DDEA CCC#CCN1CCCN(C(=O)[C@H](CC)N2CCOCC2)CC1 1772816884 WDUBVIXUGAPLRO-KRWDZBQOSA-N 321.465 1.045 30 50 DDEA CN(CCC#N)S(=O)(=O)N1CC[C@H](Cc2ccncc2)C1 611792390 NFSXFNUZWZLPHO-CQSZACIVSA-N 308.407 1.036 30 50 DDEA C=C(CNC(=O)N1CCC[C@H](S(N)(=O)=O)C1)c1ccccc1 922482418 MBBDTINRDQWTJF-AWEZNQCLSA-N 323.418 1.162 30 50 DDEA Cc1ncc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(=N)[nH]1 2325864849 BEMGDPNKZWQHCM-CQSZACIVSA-N 310.361 1.118 30 50 DDEA C#CCCC1(CCNC(=O)c2cccc(-c3nn[nH]n3)c2)N=N1 2325887418 PSJNJUHRKMOPST-UHFFFAOYSA-N 309.333 1.562 30 50 DDEA C#CCC(CC#CCN(CC)CC)(C(=O)OCC)C(=O)OCC 2944979 SYVYWPXCTILRMF-UHFFFAOYSA-N 321.417 1.858 30 50 DDEA CCn1c(C2CCNCC2)nn(Cc2ccccc2C#N)c1=O 65427452 AFNUMTPTDRTVIB-UHFFFAOYSA-N 311.389 1.452 30 50 DDEA CN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H]1CCOC1 253432271 XOJUJLWHFIRWGF-CQSZACIVSA-N 315.373 1.914 30 50 DDEA Cc1nccc(CN2CCC[C@@H](Nc3ccc(C#N)nc3)C2=O)n1 373393000 NKRNUKWGVDTCMS-MRXNPFEDSA-N 322.372 1.655 30 50 DDEA C#CC[C@H](CO)NC(=O)c1nn(-c2ccccc2C)c2c1CCC2 408517977 QRJXZXOQZPEAHX-CQSZACIVSA-N 323.396 1.783 30 50 DDEA C[C@@H]1[C@H]2C[C@@H]([C@@H](S(=O)(=O)N3CCOCC3)/C2=N/O)C1(C)C 169682482 JTMDMGQYQGJKGV-BDNUJDHSSA-N 316.423 1.159 30 50 DDEA Cc1nn(C)c2c1[C@@H](NC(=O)C1(C#N)CCOCC1)CCC2 1857671194 QRENGCOHFYMYMZ-LBPRGKRZSA-N 302.378 1.543 30 50 DDEA N#Cc1ccc(F)c(C(=O)N2CCO[C@H](c3nc[nH]n3)C2)c1 2325781674 ZEAOIRZTFHPNQT-LBPRGKRZSA-N 301.281 1.029 30 50 DDEA O=[N+]([O-])c1ccc(/C=N/Nc2ccc(S(=O)(=O)O)cc2)o1 4866023 AIGSETDVXLDSNU-KPKJPENVSA-N 311.275 1.881 30 50 DDEA CN(CCC#N)C(=O)CCN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 337294752 PLPGREWSKZROEI-XHSDSOJGSA-N 307.438 1.764 30 50 DDEA C=CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)O 159595181 DRNZMKCRIRCNKM-AWEZNQCLSA-N 309.387 1.873 30 50 DDEA COC(=O)Cc1cc(OC)cc(B2OC(C)(C)C(C)(C)O2)c1 228893641 XRVCYQNPIULXCK-UHFFFAOYSA-N 306.167 1.710 30 50 DDEA N/C(=N\C[C@H](c1ccccc1)C(F)(F)F)N1CCOCC1 185954488 GTWZCDZLBRNMPC-GFCCVEGCSA-N 301.312 1.979 30 50 DDEA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 168980635 FKFADZGBTGFWPP-MWLCHTKSSA-N 313.810 1.712 30 50 DDEA 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313.361 1.959 30 50 DDEA COC(=O)c1ccc(/C=C2\S/C(=N\C(C)=O)NC2=O)cc1 1194554 WEAVXDSBLQNCDH-XFFZJAGNSA-N 304.327 1.580 30 50 DDEA COC[C@]1(C(N)=O)CCCN1C(=O)c1cc(C#N)ccc1Cl 591662430 AWHHSGRGEXYWSB-HNNXBMFYSA-N 321.764 1.318 30 50 DDEA CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(=O)O1 3543678 RIOIIMFXKJEUOW-BTKRWWFXSA-N 301.254 1.823 30 50 DDEA Cc1ccccc1C/N=C(/O)N1CCO[C@H](c2nncn2C)C1 328616582 BUFQTHKWYHAIGS-AWEZNQCLSA-N 315.377 1.611 30 50 DDEA Cc1nccc(N=C(O)N2CCN(c3ccnc(C)n3)CC2)n1 330122763 KKQVTBPPLWTUNI-UHFFFAOYSA-N 313.365 1.251 30 50 DDEA Cc1ccc(N2CCC[C@H](S(=O)(=O)N(C)C)C2)nc1C#N 376201867 YDTISKZYHJJPNB-LBPRGKRZSA-N 308.407 1.122 30 50 DDEA C=CCCS(=O)(=O)N1CC[S@@](=N)(=O)c2ccccc21 1616032999 XZERKPHFYPSYPM-GOSISDBHSA-N 300.405 1.818 30 50 DDEA C#CCCC1(CCNC(=O)Cn2nc(C3CC3)cc2C#C)N=N1 2325854863 YXBHDDWURWIFFI-UHFFFAOYSA-N 309.373 1.824 30 50 DDEA CCc1onc(C)c1N/C(O)=N/[C@H]1CCCS(=O)(=O)C1 328804244 BRHFSPLRXUVPEJ-VIFPVBQESA-N 301.368 1.449 30 50 DDEA 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30 50 DDEA CNC(=O)c1cc(O[C@H]2CCN(c3ccncc3C#N)C2)ccn1 376479760 YTFLJOGPYVJIDL-AWEZNQCLSA-N 323.356 1.366 30 50 DDEA C[C@H](Oc1ccccc1C#N)C(=O)N[C@@]1(C(=O)O)CCSC1 299743480 NSEIYRSFDCBYQD-BONVTDFDSA-N 320.370 1.402 30 50 DDEA CC#CC(=O)NC[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1875370153 DGRMVGRDPRSZAV-RWMBFGLXSA-N 308.378 1.150 30 50 DDEA N#Cc1cccc(C#N)c1N1CCC[C@H](CN2CCOCC2)C1 302478262 VRVXXVOHXIERTO-OAHLLOKOSA-N 310.401 1.979 30 50 DDEA Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nc1C#N 302665991 QARNFLMJRAQUCK-HNNXBMFYSA-N 313.405 1.005 30 50 DDEA C#C[C@@](C)(CC)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408523178 HTDWKLRHDJDFEO-AWEZNQCLSA-N 310.375 1.760 30 50 DDEA C=CCN(C(=O)c1ccc2[nH]cnc2c1)[C@H]1CCS(=O)(=O)C1 19227707 RGNVTMIWDJKBMB-LBPRGKRZSA-N 319.386 1.378 30 50 DDEA CCc1nc(N=C(O)[C@H]2CCO[C@@H]2c2cnn(CC)c2)n[nH]1 328618713 DYWMFTSCCGROMN-CMPLNLGQSA-N 304.354 1.949 30 50 DDEA CNc1cc(N2CCC[C@H]2CNc2cc(C#N)cc(C)n2)ncn1 340014851 NXWLKTSRJZCIKU-AWEZNQCLSA-N 323.404 2.174 30 50 DDEA 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WTVDIYOSQKBKDP-GFCCVEGCSA-N 324.344 1.110 30 50 DDEA C#CCCC1(CCC(=O)N2CCC[C@@H](Cn3cncn3)C2)N=N1 952879341 DFXBHJCOBVNFIR-CQSZACIVSA-N 314.393 1.872 30 50 DDEA CN1CCO[C@@H](CN(CC2CC2)C(=O)c2cc(C#N)cn2C)C1 328628475 HHSFEZYOUPFGSS-OAHLLOKOSA-N 316.405 1.080 30 50 DDEA O/C(=N/CCC1(O)CCOCC1)N1CCC(C(F)F)CC1 329520076 QFWOYQQTWHQILU-UHFFFAOYSA-N 306.353 1.809 30 50 DDEA C=CCOC(=O)[C@@H]1[C@H]2NC(=O)N[C@@]1(C)Oc1c(OC)cccc12 227263167 KFQDTBLBBWZWOJ-MKBNYLNASA-N 318.329 1.503 30 50 DDEA C=CCn1c(CNC)nnc1Sc1cc(C)nc(NC)n1 534634946 WIDCOLAQGVQBBR-UHFFFAOYSA-N 305.411 1.475 30 50 DDEA CN1C(=O)C[C@@H](CNc2ccc(C#N)nc2)[C@@H]1c1ccncc1 886062832 PUXBHEGXVONJKB-GUYCJALGSA-N 307.357 1.980 30 50 DDEA C=CC[C@@H](C(=O)N1CC[C@H](Cc2nn[nH]n2)C1)c1ccccc1 1775987772 FMIWJUVKDIYKGQ-UKRRQHHQSA-N 311.389 1.951 30 50 DDEA CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)C[C@H]2CCCO2)C1 170609379 GGWIFTWVACEXFN-LLVKDONJSA-N 310.350 1.612 30 50 DDEA Cc1c(C#N)c(N2C[C@@H]3CNC(=O)C[C@@H]3C2)nc2ccccc12 1857671287 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DDEA N#Cc1cccnc1N1CCN(c2cccc(C(=O)O)n2)CC1 263489856 IFJDGBSRBOPFCP-UHFFFAOYSA-N 309.329 1.373 30 50 DDEA C=C(C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 161089448 ORLXSOWHYQGHTR-CQSZACIVSA-N 322.430 1.780 30 50 DDEA C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)Cc2cncnc21 1875279116 KEOWYUFQZGXMEH-GFCCVEGCSA-N 320.418 1.809 30 50 DDEA CO[C@H]1CCN([C@H]2CCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)C1 1775959490 BVEGREOUJXROGY-GUTXKFCHSA-N 302.378 1.258 30 50 DDEA CC(C)(C)OC(=O)N1CC(O)(CNCc2cccc(C#N)c2)C1 585117071 QEUPOFLBEBUWLS-UHFFFAOYSA-N 317.389 1.630 30 50 DDEA C=CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)NC1=S 242012 MIUUSBPWRZLMTC-JLHYYAGUSA-N 315.398 1.565 30 50 DDEA C=C(C)CNC[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O 12456642 IZOPMVMLSMQIHE-QGZVFWFLSA-N 306.381 1.845 30 50 DDEA C=CCc1ccc(OC[C@@H](O)CN2CCN(C)CC2)c(OC)c1 19790796 BWGHWPPNOVJTCK-INIZCTEOSA-N 320.433 1.411 30 50 DDEA CC1(C)OB(c2ccc(CN3CC[C@H](O)C3)cc2)OC1(C)C 204753068 SBYUJLXMCLUPCB-HNNXBMFYSA-N 303.211 1.552 30 50 DDEA C=C1COC[C@H]1NS(=O)(=O)c1cc(C(=O)O)cc(C)c1C 2325771532 GRUNZNIFDDVLHH-GFCCVEGCSA-N 311.359 1.235 30 50 DDEA CCN(C)C(=O)C/N=C(/O)N1CCOC[C@H]1c1ccccc1 328589033 YMNKGYHBEIPEBU-AWEZNQCLSA-N 305.378 1.452 30 50 DDEA CCN1CCN(/C(O)=N/C[C@@H]2CCOC2)C[C@H]1c1nccn1C 328619360 FUKXETVXWJSOBR-KBPBESRZSA-N 321.425 1.049 30 50 DDEA N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1N 2561407 HLNNKQLCUWHCKE-UHFFFAOYSA-N 305.345 1.129 30 50 DDEA N#Cc1ncn(C[C@H]2CN(Cc3ccccc3)CCCO2)c1C#N 241862519 SQUXNCQHPWJFBO-MRXNPFEDSA-N 321.384 1.918 30 50 DDEA C#CC[C@@]1(C(=O)NS(=O)(=O)CC2CCCCC2)CCOC1 1875291041 MCJBEJSGGXPPMZ-OAHLLOKOSA-N 313.419 1.443 30 50 DDEA C=C[C@@H](O)C(=O)N1CCC(Cn2cc(C3CCCC3)nn2)CC1 1875323509 KKBSVPOXSHYJTQ-MRXNPFEDSA-N 318.421 1.721 30 50 DDEA O=C([C@H]1CO1)N1CCC(c2nccc(C(F)(F)F)n2)CC1 1875372502 HEYVHBKWHYGCRF-SECBINFHSA-N 301.268 1.600 30 50 DDEA Cc1ccc(=N[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)[nH]c1C#N 583617986 QSEPGOJLQJRFKQ-DYVFJYSZSA-N 307.357 1.463 30 50 DDEA Cc1cc(NC(=O)NCc2cnc(Cl)s2)nn1CCC#N 585119343 DATCGUNQQPQGSK-UHFFFAOYSA-N 324.797 2.537 30 50 DDEA C#CC[C@H](CO)NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 408518073 STFJLSNMDAJJDZ-OAHLLOKOSA-N 316.401 1.214 30 50 DDEA C=CCN1C(=O)NC(=O)/C(=C\c2ccc(OC)cc2OC)C1=O 13510396 PFMVYMPHLBQBPW-XYOKQWHBSA-N 316.313 1.352 30 50 DDEA NC(=O)c1ccc[n+](CC(=O)c2ccc(Br)cc2)c1 1791160 ILBSOSPYPYAOSQ-UHFFFAOYSA-O 320.166 1.718 30 50 DDEA CN1CCN(/C(O)=N/C[C@]2(C)CCCO2)C[C@H]1c1nccn1C 328645963 ZWKCHRBLDWUEHB-BBRMVZONSA-N 321.425 1.192 30 50 DDEA N#C[C@@H]1CCCN1C(=O)CNC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 100003509 SYOKIDBDQMKNDQ-FECGAJCESA-N 303.406 1.174 30 50 DDEA world Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)c2ccc(C#N)cn2)o1 328627001 FPQZHPPFKIWWSC-STQMWFEESA-N 316.340 1.698 30 50 DDEA N#Cc1c(F)cccc1N1CCC[C@](O)(Cn2ccnn2)C1 284764909 PABQSVSFFBROHN-OAHLLOKOSA-N 301.325 1.320 30 50 DDEA C[C@@H]1[C@H](N2CCOCC2)CCN1CCCC1(C#N)CCOCC1 368059560 RROQQDWPDAHJBB-IAGOWNOFSA-N 321.465 1.882 30 50 DDEA Cn1cc([C@@H]2C[C@H]2C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cn1 376101845 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DDEA C=CCN1CC[C@H](CNC(=O)CC(=O)Nc2ccccc2C)C1 65489140 XBQLCDQAWYKKRD-OAHLLOKOSA-N 315.417 1.948 30 50 DDEA C=C(C)CN(CC)C(=O)C[C@H]1C(=O)NCCN1CC(C)(C)C 12431411 WTFYKZVVXGNCKG-AWEZNQCLSA-N 309.454 1.648 30 50 DDEA COc1cccc(CN2C(=S)N[C@@H]3C[S@@+](=O)(O)C[C@@H]32)c1 334158443 OMLCUHFEGVOKBS-NEPJUHHUSA-P 313.424 1.109 30 50 DDEA COCCOCc1cc(C#N)ccc1N1C[C@H]2COC[C@@H](C1)O2 603372637 XAEDACCBZSQEQV-IYBDPMFKSA-N 318.373 1.325 30 50 DDEA N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccncc3)C2=O)cc1 192130493 OLFLWOASIUNSPE-MRXNPFEDSA-N 320.352 1.484 30 50 DDEA CCOC(=O)[C@H]1Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2O1 1772572681 YMRYNNPRFWYJMB-CYBMUJFWSA-N 318.178 1.852 30 50 DDEA O/C(=N/C[C@@H]1C[C@H](F)CN1c1cccnn1)Nc1ccccn1 328648979 UVIFLVJDUSFYSI-RYUDHWBXSA-N 316.340 1.815 30 50 DDEA CCN(Cc1cccc(F)c1)c1c(C#N)c(=O)n(C)c(=O)n1C 141586876 VQZNVVGZGQYHEH-UHFFFAOYSA-N 316.336 1.121 30 50 DDEA C#CCCC1(CCNC(=O)c2ccc3c(c2)nc(O)n3C)N=N1 2325887403 OIHZZFLLGFLQPY-UHFFFAOYSA-N 311.345 1.974 30 50 DDEA C=CCn1c(=N)c(C(=O)OC)cc2c(=O)n3cccc(C)c3nc21 100289817 YPZUGUOOHNJCMI-UHFFFAOYSA-N 324.340 1.410 30 50 DDEA C=C/C(O)=N/[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 328597934 JMBONVGYGQGELP-ZDUSSCGKSA-N 317.393 1.425 30 50 DDEA CC(=O)C1=C(O)C(=O)N(CCCC(=O)O)[C@H]1c1ccccc1 20113252 BXYLWAMRNSCKHT-AWEZNQCLSA-N 303.314 1.836 30 50 DDEA biogenic N#Cc1ccccc1OCCN1CCC[C@@H]1[C@H]1COCC[C@H]1O 253623559 ZPRSUUZKVNFMIL-BRWVUGGUSA-N 316.401 1.799 30 50 DDEA N#Cc1ccc(CNC(=O)CS(=O)(=O)c2nccs2)cc1 343970412 UPFJFNKDXRHSHF-UHFFFAOYSA-N 321.383 1.105 30 50 DDEA C/C(=N\Nc1ccccc1)c1nc2c(O)nc(=O)n(C)c2nc1C 585152482 NKECZLGWFQYVCJ-KEBDBYFISA-N 324.344 1.574 30 50 DDEA COc1ccc(/C(N)=N/OC(=O)COc2ccccc2)cc1 5068862 FMXMCISMVTVGMO-UHFFFAOYSA-N 300.314 1.938 30 50 DDEA CCOC(=O)C(C(=O)OCC)C1=CC(=O)C(=O)c2ccccc21 5807803 MHSHXKLBQAJAKU-UHFFFAOYSA-N 316.309 1.578 30 50 DDEA O=C(O)C[C@H]1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O 4351490 SGQDTDYZEPGBGF-PFJSLNBISA-N 316.342 1.564 30 50 DDEA Cc1cc(S(=O)(=O)N[C@@H]2CC23CCNCC3)ccc1C#N 368632014 JNXZVTPMSOYFKF-CQSZACIVSA-N 305.403 1.287 30 50 DDEA C#CCCC1(CCNC(=O)[C@@]2(c3cnn(C)c3)CCCO2)N=N1 2325887528 ZZVINHFKFJMFCS-INIZCTEOSA-N 315.377 1.508 30 50 DDEA C=CCNC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 2967076 FYZVQTBGMVRWTK-LLVKDONJSA-N 312.391 1.152 30 50 DDEA Cn1ccc2ccc(N=C(O)[C@@H]3CCS(=O)(=O)C3)cc2c1=O 328931673 ZUJWBZJXISFUKY-LLVKDONJSA-N 320.370 1.561 30 50 DDEA N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CCCNC2)c(F)c1 237708564 SNFALBSZKJGYHH-VIFPVBQESA-N 315.345 1.114 30 50 DDEA CC(C)(C)OC(=O)N1CCN(c2ccccc2/C(N)=N/O)CC1 84846955 BXXGLAKGJLLFHZ-UHFFFAOYSA-N 320.393 1.838 30 50 DDEA N#CCC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1F)C2 1875341058 DSRATIUKCZUTIB-CQDKDKBSSA-N 315.348 1.849 30 50 DDEA Cn1cc([C@H]2CN(S(=O)(=O)CCCC#N)CC2(C)C)cn1 585114564 JTPPFGHBGXGXFV-CYBMUJFWSA-N 310.423 1.479 30 50 DDEA C=CCN(C(=O)c1cnn(C(C)C)c1)[C@@H]1CCS(=O)(=O)C1 190204050 GETHFSPETWDODG-CYBMUJFWSA-N 311.407 1.279 30 50 DDEA CCN1C[C@H](CN(C)Cc2ccc(C#CCCO)cc2)CC1=O 1506405887 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